smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H](Nc1ccc(I)cc1)C(=O)c1ccccc1)c1ccco1 ZINC000000631491 193864011 /nfs/dbraw/zinc/86/40/11/193864011.db2.gz SOEJJZVTVGVTGX-GOSISDBHSA-N 0 0 446.244 3.935 50 0 IHAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000006101356 193879273 /nfs/dbraw/zinc/87/92/73/193879273.db2.gz NIDHRUWVWOOWCL-UHFFFAOYSA-N 0 0 440.912 3.716 50 0 aggregator IHAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000009834378 193900840 /nfs/dbraw/zinc/90/08/40/193900840.db2.gz PGJUOOYELLAIQR-NRFANRHFSA-N 0 0 430.439 3.815 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009837807 193902772 /nfs/dbraw/zinc/90/27/72/193902772.db2.gz KLQSCFUKTVEULC-UHFFFAOYSA-N 0 0 443.525 3.833 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009847003 193905081 /nfs/dbraw/zinc/90/50/81/193905081.db2.gz GRQOBGZYVJOZQU-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000009850707 193907616 /nfs/dbraw/zinc/90/76/16/193907616.db2.gz LCXMKWAHNVYRHW-UHFFFAOYSA-N 0 0 436.533 3.939 50 0 IHAARN NC(=O)C1CCN(c2ccc(NC(=O)/C=C\c3ccccc3Br)cc2)CC1 ZINC000096315651 132225728 /nfs/dbraw/zinc/22/57/28/132225728.db2.gz RBNAMRCGSFQRKM-YHYXMXQVSA-N 0 0 428.330 3.803 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000009221395 132227636 /nfs/dbraw/zinc/22/76/36/132227636.db2.gz DHAWECKUOZZHRL-UHFFFAOYSA-N 0 0 444.531 3.792 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000009285154 132229550 /nfs/dbraw/zinc/22/95/50/132229550.db2.gz ADISOPPRXLKFCS-UHFFFAOYSA-N 0 0 434.558 3.738 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000000717333 132229826 /nfs/dbraw/zinc/22/98/26/132229826.db2.gz HZGVUFMPDSTKOB-UHFFFAOYSA-N 0 0 443.297 3.527 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1 ZINC000000806972 132230725 /nfs/dbraw/zinc/23/07/25/132230725.db2.gz CGOLRTWZIGHNLY-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN CN(CCO)c1ccc2c3c(cccc13)C(=O)N(c1ccc(Br)cc1)C2=O ZINC000000832210 132231391 /nfs/dbraw/zinc/23/13/91/132231391.db2.gz IGFNZSQZTLTVRH-UHFFFAOYSA-N 0 0 425.282 3.831 50 0 IHAARN Cc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000009519332 132233229 /nfs/dbraw/zinc/23/32/29/132233229.db2.gz CXHOMKXWYWOLIP-OAHLLOKOSA-N 0 0 449.942 3.695 50 0 IHAARN Cc1c(Cl)cccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCC(C)C)c3=O ZINC000009519273 132233256 /nfs/dbraw/zinc/23/32/56/132233256.db2.gz RBZMDOJRZFDDDM-AWEZNQCLSA-N 0 0 429.952 3.692 50 0 IHAARN O[C@@H](COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccn2)CC1 ZINC000000936192 132234714 /nfs/dbraw/zinc/23/47/14/132234714.db2.gz PCIFWRAMGLSJHN-HXUWFJFHSA-N 0 0 442.357 3.559 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2)CC1 ZINC000009573707 132236196 /nfs/dbraw/zinc/23/61/96/132236196.db2.gz FBSMXCJLBLNYPO-UHFFFAOYSA-N 0 0 440.956 3.940 50 0 IHAARN CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009849461 132241868 /nfs/dbraw/zinc/24/18/68/132241868.db2.gz BXEZVMIOMYJMFM-UHFFFAOYSA-N 0 0 441.967 3.729 50 0 IHAARN CN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn2)CC1 ZINC000010186594 132242854 /nfs/dbraw/zinc/24/28/54/132242854.db2.gz DJZHAASERPCPFC-UHFFFAOYSA-N 0 0 437.931 3.566 50 0 IHAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(N2CCOCC2)cc1 ZINC000002621749 132255310 /nfs/dbraw/zinc/25/53/10/132255310.db2.gz GFRJXYMXYJDEKP-UHFFFAOYSA-N 0 0 441.582 3.718 50 0 IHAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000003240857 132262724 /nfs/dbraw/zinc/26/27/24/132262724.db2.gz ZOPDVONXQCQSLW-UHFFFAOYSA-N 0 0 435.509 3.785 50 0 IHAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000003253804 132262761 /nfs/dbraw/zinc/26/27/61/132262761.db2.gz GQRNJZNCOPXJIF-UHFFFAOYSA-N 0 0 446.503 3.898 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)N1CCCc2ccccc21 ZINC000003330579 132263934 /nfs/dbraw/zinc/26/39/34/132263934.db2.gz BBXHHLJHQYQPIN-FQEVSTJZSA-N 0 0 448.544 3.612 50 0 IHAARN Cc1sc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)n(C(C)C)c(=O)c2c1C ZINC000003447377 132265623 /nfs/dbraw/zinc/26/56/23/132265623.db2.gz LOJOSTYTWHJULY-UHFFFAOYSA-N 0 0 442.566 3.733 50 0 IHAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1 ZINC000004034604 132268514 /nfs/dbraw/zinc/26/85/14/132268514.db2.gz SBQOPHVRVUFFOK-UHFFFAOYSA-N 0 0 442.512 3.663 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)NCCCN2CCN(c3ccccc3F)CC2)cc1 ZINC000004791640 132274264 /nfs/dbraw/zinc/27/42/64/132274264.db2.gz GTOSEGLSLUGYLX-UHFFFAOYSA-N 0 0 444.576 3.501 50 0 IHAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=S)Nc1cc(C)cc(C)c1 ZINC000005897580 132275709 /nfs/dbraw/zinc/27/57/09/132275709.db2.gz NQUCRUUKUJWJJQ-UHFFFAOYSA-N 0 0 426.586 3.797 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2Cl)CC1 ZINC000006077390 132275890 /nfs/dbraw/zinc/27/58/90/132275890.db2.gz AFSOCKQRLUFLHQ-UHFFFAOYSA-N 0 0 431.920 3.668 50 0 IHAARN Cc1ccc(C)c(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000006804177 132279409 /nfs/dbraw/zinc/27/94/09/132279409.db2.gz SIZFHFYOXGTUOV-DHIUTWEWSA-N 0 0 427.614 3.715 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CC2)c1 ZINC000007962253 132280709 /nfs/dbraw/zinc/28/07/09/132280709.db2.gz LXAWFBUQVUIJMN-UHFFFAOYSA-N 0 0 425.529 3.682 50 0 IHAARN O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c3cccc1c23 ZINC000008439362 132281945 /nfs/dbraw/zinc/28/19/45/132281945.db2.gz FEGJADGZXVQMJF-UHFFFAOYSA-N 0 0 427.913 3.570 50 0 IHAARN CCOc1ccccc1N(C)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000008591422 132284047 /nfs/dbraw/zinc/28/40/47/132284047.db2.gz UWAVVQIQHYFZBM-GOSISDBHSA-N 0 0 448.571 3.831 50 0 IHAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)c1 ZINC000009089132 132302428 /nfs/dbraw/zinc/30/24/28/132302428.db2.gz WVXOGSIBEVWLGJ-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1 ZINC000009110064 132303147 /nfs/dbraw/zinc/30/31/47/132303147.db2.gz TZQNHLISEPTYMI-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4cccc(C)c4)o3)CC2)c1 ZINC000009115360 132303598 /nfs/dbraw/zinc/30/35/98/132303598.db2.gz XHOHVTXVBNJBRD-WJOKGBTCSA-N 0 0 438.549 3.867 50 0 IHAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)N1CCCc2ccccc21 ZINC000009118348 132304359 /nfs/dbraw/zinc/30/43/59/132304359.db2.gz SLEJLWVEWRLVCQ-UHFFFAOYSA-N 0 0 449.576 3.572 50 0 IHAARN O=C(COC(=O)c1cc(Br)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000009131016 132306275 /nfs/dbraw/zinc/30/62/75/132306275.db2.gz LBSJXZRWFMJUBT-UHFFFAOYSA-N 0 0 437.721 3.608 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009204215 132308376 /nfs/dbraw/zinc/30/83/76/132308376.db2.gz DNVLUCHLBPXROZ-OAHLLOKOSA-N 0 0 445.504 3.993 50 0 IHAARN COc1cc(NC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)cc(OC)c1OC ZINC000009227694 132309915 /nfs/dbraw/zinc/30/99/15/132309915.db2.gz UTEJMWRVICXKSW-UHFFFAOYSA-N 0 0 426.473 3.800 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000009251941 132311057 /nfs/dbraw/zinc/31/10/57/132311057.db2.gz YBJKXUWCDXOUOJ-GOSISDBHSA-N 0 0 441.959 3.891 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)cc1 ZINC000009281438 132312234 /nfs/dbraw/zinc/31/22/34/132312234.db2.gz LEYOASWDSNWBTM-UHFFFAOYSA-N 0 0 449.942 3.703 50 0 IHAARN Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C ZINC000009384586 132314786 /nfs/dbraw/zinc/31/47/86/132314786.db2.gz SRCMYIJFZPPIAA-UHFFFAOYSA-N 0 0 437.617 3.657 50 0 IHAARN CCOc1ccccc1CNC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000009405893 132315161 /nfs/dbraw/zinc/31/51/61/132315161.db2.gz ABINWKUOTQXNLA-GOSISDBHSA-N 0 0 437.540 3.821 50 0 IHAARN O=C(CCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009452437 132318056 /nfs/dbraw/zinc/31/80/56/132318056.db2.gz KZKXVJPZVJTWIW-UHFFFAOYSA-N 0 0 444.457 3.544 50 0 IHAARN Nc1c(C(=O)NCCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000009461144 132318139 /nfs/dbraw/zinc/31/81/39/132318139.db2.gz HYSUGLKSRZLJMF-UHFFFAOYSA-N 0 0 436.581 3.566 50 0 IHAARN COc1cccc(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1 ZINC000009469749 132318778 /nfs/dbraw/zinc/31/87/78/132318778.db2.gz TTXCFNZNZBKZMM-UHFFFAOYSA-N 0 0 443.956 3.642 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000009528786 132320518 /nfs/dbraw/zinc/32/05/18/132320518.db2.gz DTUGNPCCDPHFSW-NRFANRHFSA-N 0 0 438.959 3.638 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCc1ccc(C)cc1 ZINC000009530319 132320894 /nfs/dbraw/zinc/32/08/94/132320894.db2.gz MFGJIPIGKDXHCA-UHFFFAOYSA-N 0 0 431.583 3.709 50 0 IHAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(c2ccccn2)CC1 ZINC000009530566 132320962 /nfs/dbraw/zinc/32/09/62/132320962.db2.gz UTFIUPXLXGHTBZ-UHFFFAOYSA-N 0 0 441.487 3.583 50 0 biogenic IHAARN Cc1cc(Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)n2nc(-c3ccco3)nc2n1 ZINC000009561478 132321575 /nfs/dbraw/zinc/32/15/75/132321575.db2.gz AAOSSVMYIBDCKT-UHFFFAOYSA-N 0 0 445.527 3.741 50 0 IHAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000009573256 132321962 /nfs/dbraw/zinc/32/19/62/132321962.db2.gz RJRWSWYYHAHVDZ-LJQANCHMSA-N 0 0 447.539 3.653 50 0 IHAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1 ZINC000009608953 132323274 /nfs/dbraw/zinc/32/32/74/132323274.db2.gz LUORDLNDXRENMN-UHFFFAOYSA-N 0 0 425.492 3.602 50 0 IHAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009606670 132323311 /nfs/dbraw/zinc/32/33/11/132323311.db2.gz IUKXDIDOCWECHC-OAHLLOKOSA-N 0 0 429.571 3.573 50 0 IHAARN C[C@H](C(=O)NC[C@@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692853 132326118 /nfs/dbraw/zinc/32/61/18/132326118.db2.gz FRBSWGQDNLPJOW-UQASEVPWSA-N 0 0 428.529 3.765 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)C[C@@H]2C)c1 ZINC000009737623 132327943 /nfs/dbraw/zinc/32/79/43/132327943.db2.gz QDWYWHUIYSUQHY-SFHVURJKSA-N 0 0 437.565 3.889 50 0 IHAARN COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000009892721 132331058 /nfs/dbraw/zinc/33/10/58/132331058.db2.gz XXOSKHUNDZZOAM-UHFFFAOYSA-N 0 0 431.492 3.547 50 0 IHAARN CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1N1CCOCC1 ZINC000009907787 132331287 /nfs/dbraw/zinc/33/12/87/132331287.db2.gz MNHMVNNIRMZOQZ-UHFFFAOYSA-N 0 0 432.904 3.679 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)c(C)c1 ZINC000010104954 132334729 /nfs/dbraw/zinc/33/47/29/132334729.db2.gz RGTOKSHEEXHIAT-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)c(C)c1 ZINC000010104975 132334734 /nfs/dbraw/zinc/33/47/34/132334734.db2.gz JPWUSDVKLLTZNB-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1Br ZINC000011077441 132337181 /nfs/dbraw/zinc/33/71/81/132337181.db2.gz QUODQGCPBILEFL-UHFFFAOYSA-N 0 0 433.350 3.642 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012984061 132341300 /nfs/dbraw/zinc/34/13/00/132341300.db2.gz KKRLAUXTHRCLMO-UHFFFAOYSA-N 0 0 444.860 3.674 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 ZINC000013001904 132341561 /nfs/dbraw/zinc/34/15/61/132341561.db2.gz RGSXUHJEJMJRNO-GOSISDBHSA-N 0 0 432.379 3.735 50 0 IHAARN Cc1cc(N2CCN(CC(=O)Nc3ccc(C)c(Br)c3)CC2)nc(C(C)C)n1 ZINC000013007864 132341730 /nfs/dbraw/zinc/34/17/30/132341730.db2.gz PBSCOOUUNVZTNM-UHFFFAOYSA-N 0 0 446.393 3.740 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000013109965 132344674 /nfs/dbraw/zinc/34/46/74/132344674.db2.gz BPMVXVGVXZGILK-HXUWFJFHSA-N 0 0 433.508 3.798 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000013109966 132344677 /nfs/dbraw/zinc/34/46/77/132344677.db2.gz BPMVXVGVXZGILK-FQEVSTJZSA-N 0 0 433.508 3.798 50 0 IHAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 ZINC000013610549 132351825 /nfs/dbraw/zinc/35/18/25/132351825.db2.gz GETCSUKIMRXMCI-UHFFFAOYSA-N 0 0 438.933 3.712 50 0 IHAARN COc1cccc(N2CCN(C(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000013691554 132353610 /nfs/dbraw/zinc/35/36/10/132353610.db2.gz WENNGVHBAPYLTQ-UHFFFAOYSA-N 0 0 431.577 3.675 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C)c2nc3ccccc3nc21 ZINC000014180582 132356445 /nfs/dbraw/zinc/35/64/45/132356445.db2.gz CUFQPPYLUZKPMD-ZDUSSCGKSA-N 0 0 427.302 3.643 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 ZINC000014196719 132356627 /nfs/dbraw/zinc/35/66/27/132356627.db2.gz YPZFIZJKBFGVMN-FQEVSTJZSA-N 0 0 444.516 3.755 50 0 IHAARN O=C(CCC1CCCCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000014238625 132356913 /nfs/dbraw/zinc/35/69/13/132356913.db2.gz CWYIACAUZMFKCE-UHFFFAOYSA-N 0 0 428.964 3.895 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000034690565 518210995 /nfs/dbraw/zinc/21/09/95/518210995.db2.gz UTHLGSOXEIDBAC-UAFMIMERSA-N 0 0 426.394 3.684 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000012609686 518351494 /nfs/dbraw/zinc/35/14/94/518351494.db2.gz WLNARMRHNHMXKI-OAHLLOKOSA-N 0 0 435.446 3.937 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000022324209 518402215 /nfs/dbraw/zinc/40/22/15/518402215.db2.gz YGUOJVWYZXBBDH-UHFFFAOYSA-N 0 0 441.908 3.826 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)NCCSCc2ccc(Br)s2)cc1 ZINC000012805595 518405981 /nfs/dbraw/zinc/40/59/81/518405981.db2.gz VCDDAVXEDNIQFM-UHFFFAOYSA-N 0 0 434.402 3.925 50 0 IHAARN CC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NCc3ccc(F)cc3)cc1)C(=O)CO2 ZINC000016532933 518414658 /nfs/dbraw/zinc/41/46/58/518414658.db2.gz YJNCKNPPEOGRCM-UHFFFAOYSA-N 0 0 432.451 3.884 50 0 IHAARN CC(=O)c1cccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000012380202 518423058 /nfs/dbraw/zinc/42/30/58/518423058.db2.gz HQVMLTQMFAJUMZ-UHFFFAOYSA-N 0 0 448.850 3.966 50 0 IHAARN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CCOCC2)n1 ZINC000001097575 518774066 /nfs/dbraw/zinc/77/40/66/518774066.db2.gz CZQGOSPNQKDCCR-UHFFFAOYSA-N 0 0 428.871 3.830 50 0 IHAARN CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000020677561 518825558 /nfs/dbraw/zinc/82/55/58/518825558.db2.gz OMUZXQFRLHAOCN-UHFFFAOYSA-N 0 0 431.577 3.788 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012111538 519037629 /nfs/dbraw/zinc/03/76/29/519037629.db2.gz ANHVOUCESXIXDA-LJQANCHMSA-N 0 0 433.545 3.718 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000032949641 519440066 /nfs/dbraw/zinc/44/00/66/519440066.db2.gz PQRZIPLLFXPXJT-UHFFFAOYSA-N 0 0 426.464 3.627 50 0 IHAARN CC(=O)N(C)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 ZINC000012649598 519451633 /nfs/dbraw/zinc/45/16/33/519451633.db2.gz JIVLZUJFCFRLJD-MBWAJUJLSA-N 0 0 427.936 3.848 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3Cl)cc2)S1 ZINC000020895591 519643340 /nfs/dbraw/zinc/64/33/40/519643340.db2.gz KPPCDHLYIMYXOD-LJQANCHMSA-N 0 0 433.917 3.799 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cccc(C)c3)c2)S1 ZINC000020896541 519643657 /nfs/dbraw/zinc/64/36/57/519643657.db2.gz SSPHGQMFBZCBPQ-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cc(C)ccc3C)c2)S1 ZINC000020896514 519643679 /nfs/dbraw/zinc/64/36/79/519643679.db2.gz CQKZMYIRQBZFSZ-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(C)CCNc1nc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cs1 ZINC000012766026 519664152 /nfs/dbraw/zinc/66/41/52/519664152.db2.gz NFFMGHFNBOOLRH-UHFFFAOYSA-N 0 0 432.571 3.906 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000021140466 519706562 /nfs/dbraw/zinc/70/65/62/519706562.db2.gz KDERJCBVRMMVBS-CQSZACIVSA-N 0 0 433.464 3.941 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000020512020 519721699 /nfs/dbraw/zinc/72/16/99/519721699.db2.gz ZSLNRSOIWVAZKO-HSZRJFAPSA-N 0 0 444.491 3.926 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC000012798341 519737750 /nfs/dbraw/zinc/73/77/50/519737750.db2.gz TZDRAJWMDHQOCU-HZPDHXFCSA-N 0 0 429.542 3.849 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 ZINC000012364435 519743900 /nfs/dbraw/zinc/74/39/00/519743900.db2.gz QUYOXXAJFPUEIA-UHFFFAOYSA-N 0 0 442.324 3.645 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021861158 519762766 /nfs/dbraw/zinc/76/27/66/519762766.db2.gz GBKVCRXMIAHYJT-OSWQYVSFSA-N 0 0 440.588 3.761 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000012232717 519787229 /nfs/dbraw/zinc/78/72/29/519787229.db2.gz HRHCQBUVJSVKJM-UHFFFAOYSA-N 0 0 428.535 3.948 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)NCc1ccc(Cl)cc1 ZINC000020995207 519799534 /nfs/dbraw/zinc/79/95/34/519799534.db2.gz WYFXNXDMNFZVCL-LJQANCHMSA-N 0 0 431.945 3.508 50 0 IHAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCCc3ccccc3)N2C1=O ZINC000015783584 519806467 /nfs/dbraw/zinc/80/64/67/519806467.db2.gz VOSWZKJJKCHBGB-JXFKEZNVSA-N 0 0 434.565 3.782 50 0 IHAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O ZINC000021644204 519806476 /nfs/dbraw/zinc/80/64/76/519806476.db2.gz LJYHMMZMDISEOM-KUHUBIRLSA-N 0 0 438.528 3.878 50 0 IHAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000012792374 519841112 /nfs/dbraw/zinc/84/11/12/519841112.db2.gz NYIIXEOAMIZFDH-UHFFFAOYSA-N 0 0 445.585 3.518 50 0 IHAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000036002986 519869216 /nfs/dbraw/zinc/86/92/16/519869216.db2.gz NMTJUUJRTXWWHI-UHFFFAOYSA-N 0 0 430.512 3.884 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(C)c(F)c1)[C@@H](C(=O)N(C)C)C2 ZINC000065167154 519878751 /nfs/dbraw/zinc/87/87/51/519878751.db2.gz DUOWJDKTZYKGLT-OAQYLSRUSA-N 0 0 425.504 3.528 50 0 IHAARN CCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4C)n3)c(=O)n12 ZINC000035911732 519881895 /nfs/dbraw/zinc/88/18/95/519881895.db2.gz ICJCUVYOEILRHT-UHFFFAOYSA-N 0 0 449.580 3.911 50 0 IHAARN CCCNC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccc(C)nc21 ZINC000021654943 519882142 /nfs/dbraw/zinc/88/21/42/519882142.db2.gz COLPPUUOCCYUCU-UHFFFAOYSA-N 0 0 437.887 3.602 50 0 IHAARN CCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045504 519890617 /nfs/dbraw/zinc/89/06/17/519890617.db2.gz XRTOJTQUSOVYAW-WOJBJXKFSA-N 0 0 430.932 3.739 50 0 IHAARN CCOCCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000020939454 519895604 /nfs/dbraw/zinc/89/56/04/519895604.db2.gz BIJXCUJBLTUTNC-UHFFFAOYSA-N 0 0 428.558 3.999 50 0 IHAARN CC(C)n1c(=O)[nH]c2cc(-c3noc(CN4C(=O)COc5ccc(Cl)cc54)n3)ccc21 ZINC000035405549 519918497 /nfs/dbraw/zinc/91/84/97/519918497.db2.gz IOXXFLYKESGCME-UHFFFAOYSA-N 0 0 439.859 3.540 50 0 IHAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000021468407 520051919 /nfs/dbraw/zinc/05/19/19/520051919.db2.gz TWLDPHNKTQBWJJ-UHFFFAOYSA-N 0 0 449.912 3.718 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)N[C@H](C)c2ccco2)c2ccccc2c1=O ZINC000012903625 520140007 /nfs/dbraw/zinc/14/00/07/520140007.db2.gz LSSYJWJOIJIDKS-MRXNPFEDSA-N 0 0 425.485 3.604 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(COC)s3)c2)cc1 ZINC000033027622 520364334 /nfs/dbraw/zinc/36/43/34/520364334.db2.gz FUURELCTYALQAH-UHFFFAOYSA-N 0 0 440.525 3.656 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)COCc1ccccc1 ZINC000035766863 520440104 /nfs/dbraw/zinc/44/01/04/520440104.db2.gz UWFNMKLHFUMGKM-QHCPKHFHSA-N 0 0 442.556 3.633 50 0 IHAARN CCOC(=O)C1=C(CN(Cc2ccco2)Cc2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000021582093 520507393 /nfs/dbraw/zinc/50/73/93/520507393.db2.gz KPPUTZAWDFOITH-QFIPXVFZSA-N 0 0 435.480 3.746 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 ZINC000012180474 520525947 /nfs/dbraw/zinc/52/59/47/520525947.db2.gz WJLIROCVXSLSLB-UHFFFAOYSA-N 0 0 442.990 3.774 50 0 IHAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)C1 ZINC000012372748 520538297 /nfs/dbraw/zinc/53/82/97/520538297.db2.gz UDQVJKNNTCYMHD-AWEZNQCLSA-N 0 0 437.899 3.767 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022853499 520582939 /nfs/dbraw/zinc/58/29/39/520582939.db2.gz PROBWPJLHIIKBT-GOSISDBHSA-N 0 0 428.558 3.732 50 0 IHAARN CCOC(=O)CCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000035928466 520623710 /nfs/dbraw/zinc/62/37/10/520623710.db2.gz UNELLKASVHNJOZ-HSZRJFAPSA-N 0 0 441.553 3.813 50 0 IHAARN CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000021233350 520654563 /nfs/dbraw/zinc/65/45/63/520654563.db2.gz GJFRJFACRZDDLQ-QGZVFWFLSA-N 0 0 433.526 3.533 50 0 IHAARN CCOc1cc(C(=O)NCC2N=NC(=S)N2c2ccccc2)cc(OCC)c1OCC ZINC000017307085 520664807 /nfs/dbraw/zinc/66/48/07/520664807.db2.gz NVTBOIYRIJYYEI-UHFFFAOYSA-N 0 0 442.541 3.682 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCCCC1 ZINC000012677510 520668726 /nfs/dbraw/zinc/66/87/26/520668726.db2.gz NKGGRAWCPVJQNP-UHFFFAOYSA-N 0 0 440.496 3.500 50 0 IHAARN CCOc1cc(CNC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)ccc1OC ZINC000041255043 520701474 /nfs/dbraw/zinc/70/14/74/520701474.db2.gz NYUNNVVLJJPNCI-UHFFFAOYSA-N 0 0 435.524 3.641 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)ccc1OC ZINC000015774013 520704393 /nfs/dbraw/zinc/70/43/93/520704393.db2.gz FYYGPXXGWKTKLV-JOCHJYFZSA-N 0 0 430.504 3.982 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000012607133 520750630 /nfs/dbraw/zinc/75/06/30/520750630.db2.gz ARRTZMJVAPAKRJ-FQEVSTJZSA-N 0 0 440.496 3.561 50 0 IHAARN CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1 ZINC000253499973 520779683 /nfs/dbraw/zinc/77/96/83/520779683.db2.gz SPCOYRJFXKKGPF-RWILQHEZSA-N 0 0 432.557 3.667 50 0 biogenic IHAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1O ZINC000012464192 520784601 /nfs/dbraw/zinc/78/46/01/520784601.db2.gz FFBMJIMMXPIMNS-QGZVFWFLSA-N 0 0 446.301 3.820 50 0 IHAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000020895785 520784818 /nfs/dbraw/zinc/78/48/18/520784818.db2.gz XBBYARMVPPTYLZ-HXUWFJFHSA-N 0 0 441.509 3.614 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@H](C(F)(F)F)C2)ccc1C ZINC000035600908 520785533 /nfs/dbraw/zinc/78/55/33/520785533.db2.gz GUGFCFFOYZJOAD-HOTGVXAUSA-N 0 0 449.539 3.627 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000024258919 520796952 /nfs/dbraw/zinc/79/69/52/520796952.db2.gz HYSDOHAFJRAVMX-UHFFFAOYSA-N 0 0 436.965 3.618 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)NCc1ccc(F)cc1)CC2 ZINC000021044214 520798747 /nfs/dbraw/zinc/79/87/47/520798747.db2.gz XWBXHEZYOAYSAI-HXUWFJFHSA-N 0 0 444.503 3.995 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(SC)c4)ccn3n2)cc1 ZINC000012414485 520806878 /nfs/dbraw/zinc/80/68/78/520806878.db2.gz QVBNIJMYMGZPLM-UHFFFAOYSA-N 0 0 434.521 3.922 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(Cl)ccc3OC)n2c1 ZINC000022069496 520816980 /nfs/dbraw/zinc/81/69/80/520816980.db2.gz LYIBYECMZIQRCL-UHFFFAOYSA-N 0 0 440.978 3.714 50 0 IHAARN CCOc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1OC ZINC000023125791 520828894 /nfs/dbraw/zinc/82/88/94/520828894.db2.gz KQBRIEACJDIEAQ-HNNXBMFYSA-N 0 0 449.554 3.774 50 0 IHAARN CCOC(=O)C[C@@H]1COCCN1C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012307284 520854343 /nfs/dbraw/zinc/85/43/43/520854343.db2.gz IILBTIOOTFBFJN-CYBMUJFWSA-N 0 0 433.917 3.510 50 0 IHAARN CCOc1ccc(-c2nc(O)c(CC(=O)Nc3cccc(C(C)=O)c3)s2)cc1OC ZINC000035685020 520930335 /nfs/dbraw/zinc/93/03/35/520930335.db2.gz FNNLZPBARDTBRJ-IBGZPJMESA-N 0 0 426.494 3.714 50 0 IHAARN CCOc1ccc(CCNC(=O)CCCn2sc3ccccc3c2=O)cc1OCC ZINC000020467433 520949445 /nfs/dbraw/zinc/94/94/45/520949445.db2.gz VCDGIMOZAMGELG-UHFFFAOYSA-N 0 0 428.554 4.000 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)CSc2ccc(C)cc2)cc1OCC ZINC000022208844 520949786 /nfs/dbraw/zinc/94/97/86/520949786.db2.gz CEILOMGGKNPMMM-UHFFFAOYSA-N 0 0 431.554 3.787 50 0 IHAARN CCOc1ccc(NC(=O)CCCn2nc(C)c(I)c2C)cc1 ZINC000012411895 521054367 /nfs/dbraw/zinc/05/43/67/521054367.db2.gz BXQNMPOJFKKMQG-UHFFFAOYSA-N 0 0 427.286 3.922 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3nccc3C)cc2)cc1OCC ZINC000020923990 521058675 /nfs/dbraw/zinc/05/86/75/521058675.db2.gz VITDWCRJKYYHGF-UHFFFAOYSA-N 0 0 436.512 3.689 50 0 IHAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035948744 521080744 /nfs/dbraw/zinc/08/07/44/521080744.db2.gz VYEZSGRNLHFWHR-GOSISDBHSA-N 0 0 427.888 3.615 50 0 IHAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)CC)cc1 ZINC000036048425 521089976 /nfs/dbraw/zinc/08/99/76/521089976.db2.gz JCVRSQKTRNSRIE-HXUWFJFHSA-N 0 0 441.528 3.760 50 0 IHAARN CCOc1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(CC)c3=O)CC2)cc1 ZINC000033169634 521091814 /nfs/dbraw/zinc/09/18/14/521091814.db2.gz OELUGOWCPFCDLG-UHFFFAOYSA-N 0 0 435.528 3.606 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000012639060 521166561 /nfs/dbraw/zinc/16/65/61/521166561.db2.gz DTELWXOZOPZMLU-UHFFFAOYSA-N 0 0 446.569 3.832 50 0 IHAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1 ZINC000035944725 521205490 /nfs/dbraw/zinc/20/54/90/521205490.db2.gz NFENIGNLPLRBOT-JOCHJYFZSA-N 0 0 439.556 3.931 50 0 IHAARN CCOc1ccc([C@@H](CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc32)cc1OC ZINC000012782612 521229475 /nfs/dbraw/zinc/22/94/75/521229475.db2.gz OGSPHLVQOXTFKH-LJQANCHMSA-N 0 0 443.569 3.637 50 0 IHAARN CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2n1CCCCC2 ZINC000012685610 521296208 /nfs/dbraw/zinc/29/62/08/521296208.db2.gz FRROWEPYBDEHNB-UHFFFAOYSA-N 0 0 429.409 3.969 50 0 IHAARN CCOc1ccc2nc(NC(=O)CSc3nnc(N4CCCC4)n3C3CC3)sc2c1 ZINC000022285915 521302508 /nfs/dbraw/zinc/30/25/08/521302508.db2.gz XYFARLBIMHAPNV-UHFFFAOYSA-N 0 0 444.586 3.952 50 0 IHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000021245549 521323038 /nfs/dbraw/zinc/32/30/38/521323038.db2.gz HEUHBJDDBLAQCW-UHFFFAOYSA-N 0 0 436.505 3.677 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)sc2n1 ZINC000021165803 521346713 /nfs/dbraw/zinc/34/67/13/521346713.db2.gz FWYLJZFMHQPFIE-UHFFFAOYSA-N 0 0 445.976 3.920 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)sc2n1 ZINC000021165714 521348168 /nfs/dbraw/zinc/34/81/68/521348168.db2.gz JSPMYEBWNDJTRR-UHFFFAOYSA-N 0 0 431.949 3.612 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015726719 521365586 /nfs/dbraw/zinc/36/55/86/521365586.db2.gz RBXOWANTNWEBAG-JKSUJKDBSA-N 0 0 446.594 3.578 50 0 IHAARN CCCCn1c2nc(-c3ccc(OC)c(Br)c3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000012531557 521375988 /nfs/dbraw/zinc/37/59/88/521375988.db2.gz FOOINPSAIJBWPI-UHFFFAOYSA-N 0 0 449.349 3.781 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CN1CCSc2ccccc21 ZINC000012608826 521387632 /nfs/dbraw/zinc/38/76/32/521387632.db2.gz GFDPBDPCHJNTOU-UHFFFAOYSA-N 0 0 434.539 3.571 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)oc(C)c1C(C)=O ZINC000013121257 521408119 /nfs/dbraw/zinc/40/81/19/521408119.db2.gz IUWXNSHSFNIIMK-UHFFFAOYSA-N 0 0 425.796 3.555 50 0 IHAARN CCOc1ccccc1CNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061968 521489550 /nfs/dbraw/zinc/48/95/50/521489550.db2.gz DQSPJTRWGHLYKL-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000035925566 521538752 /nfs/dbraw/zinc/53/87/52/521538752.db2.gz VVIOBOINQKSTEQ-UHFFFAOYSA-N 0 0 432.572 3.997 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012857962 521539343 /nfs/dbraw/zinc/53/93/43/521539343.db2.gz HJWBWMYQMUDNQF-QFIPXVFZSA-N 0 0 446.334 3.951 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035925415 521541293 /nfs/dbraw/zinc/54/12/93/521541293.db2.gz DVMZYSULBLPHKY-UHFFFAOYSA-N 0 0 444.514 3.870 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)c1N ZINC000021115418 521578122 /nfs/dbraw/zinc/57/81/22/521578122.db2.gz CZONLGDWICNNEP-UHFFFAOYSA-N 0 0 429.274 3.646 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC(c4ccncc4)CC3)cc2c1C ZINC000021114848 521607804 /nfs/dbraw/zinc/60/78/04/521607804.db2.gz MBNSDYTWDAYFTJ-UHFFFAOYSA-N 0 0 428.510 3.881 50 0 IHAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(NC(C)C)s1 ZINC000016050602 521610737 /nfs/dbraw/zinc/61/07/37/521610737.db2.gz JIFURGVEDSSEIK-UHFFFAOYSA-N 0 0 430.577 3.648 50 0 IHAARN CCCc1sc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1CC ZINC000012622978 521613493 /nfs/dbraw/zinc/61/34/93/521613493.db2.gz MHLXZAIYKISJOP-GOSISDBHSA-N 0 0 449.594 3.640 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](C(C)=O)c3ccccc3)nc21 ZINC000015081553 521637955 /nfs/dbraw/zinc/63/79/55/521637955.db2.gz GNZWAEGJXNFDFS-FQEVSTJZSA-N 0 0 433.537 3.928 50 0 IHAARN CCCn1c2ncccc2nc1[C@H]1CCN(C(=O)c2ccc(C)c(N3CCCC3=O)c2)C1 ZINC000065284920 521640734 /nfs/dbraw/zinc/64/07/34/521640734.db2.gz NJVKYSZSBDZNGR-IBGZPJMESA-N 0 0 431.540 3.906 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4c(C)cccc4C)SC3)ccc21 ZINC000012592601 521668473 /nfs/dbraw/zinc/66/84/73/521668473.db2.gz RZQLRIMEFCPNHT-UHFFFAOYSA-N 0 0 428.583 3.935 50 0 IHAARN CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012908944 521683249 /nfs/dbraw/zinc/68/32/49/521683249.db2.gz LZNSIMSGVGSXAM-PMACEKPBSA-N 0 0 444.597 3.845 50 0 IHAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000035372165 521730428 /nfs/dbraw/zinc/73/04/28/521730428.db2.gz ILNKTSQGWUERQC-UHFFFAOYSA-N 0 0 440.569 3.910 50 0 biogenic IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)C[C@@H]1CSCN12 ZINC000021883324 521731282 /nfs/dbraw/zinc/73/12/82/521731282.db2.gz RNPJOVSWLODOSK-NRJQMVOHSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CCSc1ccc(Cc2nnc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)o2)cc1 ZINC000035588431 521735759 /nfs/dbraw/zinc/73/57/59/521735759.db2.gz UUFRECOAGIZHDQ-UHFFFAOYSA-N 0 0 436.493 3.678 50 0 IHAARN CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2cc(OC)cc(OC)c2)C1=O ZINC000034737422 521742841 /nfs/dbraw/zinc/74/28/41/521742841.db2.gz AHXNCTHKEZNMFD-UHFFFAOYSA-N 0 0 426.517 3.986 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C ZINC000012263927 521750842 /nfs/dbraw/zinc/75/08/42/521750842.db2.gz MBZJSGIRLVXPFD-AWEZNQCLSA-N 0 0 442.443 3.959 50 0 IHAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c(C)n1C ZINC000036006371 521751873 /nfs/dbraw/zinc/75/18/73/521751873.db2.gz RYSYNTBHFYJYBY-UHFFFAOYSA-N 0 0 426.444 3.686 50 0 IHAARN CCc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000020995626 521753463 /nfs/dbraw/zinc/75/34/63/521753463.db2.gz BCECFNOUYMTKTG-MRXNPFEDSA-N 0 0 440.565 3.739 50 0 IHAARN CCc1cccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)c1 ZINC000035532944 521753858 /nfs/dbraw/zinc/75/38/58/521753858.db2.gz XVALFHFYHRZBDW-UHFFFAOYSA-N 0 0 431.612 3.933 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(C)c(C)c3c1=O)C[C@@H](C)CC2 ZINC000022739177 521782868 /nfs/dbraw/zinc/78/28/68/521782868.db2.gz GGLKHMWENUVPEC-JTQLQIEISA-N 0 0 445.566 3.686 50 0 IHAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Cl ZINC000024260088 521836442 /nfs/dbraw/zinc/83/64/42/521836442.db2.gz CIGRWPLRTIENMC-UHFFFAOYSA-N 0 0 438.311 3.525 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024601377 521873003 /nfs/dbraw/zinc/87/30/03/521873003.db2.gz RNIZDXXAYSIJHS-UHFFFAOYSA-N 0 0 434.462 3.634 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000023908504 521873869 /nfs/dbraw/zinc/87/38/69/521873869.db2.gz GNKNHDRLGRAYOP-UHFFFAOYSA-N 0 0 440.503 3.625 50 0 IHAARN CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N(C)[C@@H](C)c2cccs2)c1=O ZINC000012217465 521926092 /nfs/dbraw/zinc/92/60/92/521926092.db2.gz DGHNSFCTQATFPC-KRWDZBQOSA-N 0 0 437.565 3.735 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)OC ZINC000012890974 521965288 /nfs/dbraw/zinc/96/52/88/521965288.db2.gz JPUZZTXJISQPDB-IRBZQWRBSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC(C)C ZINC000012889020 521969509 /nfs/dbraw/zinc/96/95/09/521969509.db2.gz RCLHISSQUHDLQE-ULUCGAEXSA-N 0 0 445.629 3.728 50 0 biogenic IHAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026603 521988293 /nfs/dbraw/zinc/98/82/93/521988293.db2.gz MXQBCKUJBOYVBA-XXBNENTESA-N 0 0 437.559 3.847 50 0 IHAARN COc1cc(Br)c(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)cc1OC ZINC000012507224 522021038 /nfs/dbraw/zinc/02/10/38/522021038.db2.gz SYKUOBGFJRUDGY-HXUWFJFHSA-N 0 0 444.329 3.648 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000012409900 522057973 /nfs/dbraw/zinc/05/79/73/522057973.db2.gz OERXFSYOAYDVIX-UHFFFAOYSA-N 0 0 430.501 3.976 50 0 IHAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000035769918 522098460 /nfs/dbraw/zinc/09/84/60/522098460.db2.gz WMVMYGMRJIMBDY-QGZVFWFLSA-N 0 0 425.572 3.713 50 0 IHAARN COc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000020486073 522117771 /nfs/dbraw/zinc/11/77/71/522117771.db2.gz SIIPLNWFDAMBPC-QFIPXVFZSA-N 0 0 447.535 3.637 50 0 IHAARN CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000022350884 522161069 /nfs/dbraw/zinc/16/10/69/522161069.db2.gz XRBJVONKCSGORY-OAHLLOKOSA-N 0 0 428.476 3.811 50 0 IHAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(=O)n12 ZINC000035911856 522173006 /nfs/dbraw/zinc/17/30/06/522173006.db2.gz DUHZVGIZWOQRAB-OAHLLOKOSA-N 0 0 449.580 3.991 50 0 IHAARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012193271 522255786 /nfs/dbraw/zinc/25/57/86/522255786.db2.gz KKMMHPGCZLCSIN-INIZCTEOSA-N 0 0 444.478 3.700 50 0 IHAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)c1N ZINC000021115610 522352599 /nfs/dbraw/zinc/35/25/99/522352599.db2.gz LPMYPZNOFDDQIG-UHFFFAOYSA-N 0 0 429.274 3.564 50 0 IHAARN COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@]32O)cc(OC)c1OC ZINC000012322852 522367028 /nfs/dbraw/zinc/36/70/28/522367028.db2.gz ICHRZXLXOHGBFZ-XXBNENTESA-N 0 0 434.602 3.984 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N1CCc2ccccc2C1 ZINC000012890780 522502355 /nfs/dbraw/zinc/50/23/55/522502355.db2.gz YZTGZFCLEPLNGD-UHFFFAOYSA-N 0 0 439.865 3.814 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012903805 522517808 /nfs/dbraw/zinc/51/78/08/522517808.db2.gz GIQAKXVNNPQGID-QHCPKHFHSA-N 0 0 441.915 3.983 50 0 IHAARN CN(CC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000021336782 522520357 /nfs/dbraw/zinc/52/03/57/522520357.db2.gz GHMQOICCLMTIHN-UHFFFAOYSA-N 0 0 427.979 3.651 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c(OC)c1 ZINC000035539207 522529345 /nfs/dbraw/zinc/52/93/45/522529345.db2.gz KTKXOVSSLFTMSO-UHFFFAOYSA-N 0 0 429.907 3.886 50 0 IHAARN CCc1nc2sc([C@@H](c3cccc(Cl)c3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854044 522536372 /nfs/dbraw/zinc/53/63/72/522536372.db2.gz DHZVWPRUDCMESC-MRXNPFEDSA-N 0 0 434.949 3.641 50 0 IHAARN CCc1nc2sc([C@@H](c3cccc(Cl)c3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853594 522537229 /nfs/dbraw/zinc/53/72/29/522537229.db2.gz YHBAIIAKINOEQR-MRXNPFEDSA-N 0 0 434.949 3.687 50 0 IHAARN CCc1nn2c(nc(CSc3nnc(Cc4cccs4)n3C3CC3)cc2=O)s1 ZINC000012682575 522709638 /nfs/dbraw/zinc/70/96/38/522709638.db2.gz GSGHCZDXCDVXIT-UHFFFAOYSA-N 0 0 430.584 3.584 50 0 IHAARN CCc1nn2c(nnc3c2ccn(-c2ccc(C(C)=O)cc2)c3=O)c1-c1ccc(OC)cc1 ZINC000012389270 522713281 /nfs/dbraw/zinc/71/32/81/522713281.db2.gz DBPVXQAHYJIVGO-UHFFFAOYSA-N 0 0 439.475 3.869 50 0 IHAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c3c2)o1 ZINC000035462261 522718888 /nfs/dbraw/zinc/71/88/88/522718888.db2.gz NYHBWPUWJJTOIN-UHFFFAOYSA-N 0 0 433.487 3.742 50 0 IHAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc(OC)c1 ZINC000012767050 522719338 /nfs/dbraw/zinc/71/93/38/522719338.db2.gz DUTDFGZBGYBJCL-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2nc(-c3cc(C)ccc3C)ccc2=O)cc1Cl ZINC000021174431 522804282 /nfs/dbraw/zinc/80/42/82/522804282.db2.gz ZGVMJIHRIWYLJK-UHFFFAOYSA-N 0 0 427.888 3.836 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)c1 ZINC000034927351 522845915 /nfs/dbraw/zinc/84/59/15/522845915.db2.gz SKCIDWSXCNVXQK-UHFFFAOYSA-N 0 0 426.538 3.725 50 0 IHAARN COc1cc(OC)cc([C@H](NC(=O)c2cccc(Br)c2)c2nccn2C)c1 ZINC000012767686 522882890 /nfs/dbraw/zinc/88/28/90/522882890.db2.gz LEIPDXYYTMNFJS-SFHVURJKSA-N 0 0 430.302 3.719 50 0 IHAARN COC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000012424607 522909543 /nfs/dbraw/zinc/90/95/43/522909543.db2.gz GMKGYPIGEBKAIY-UHFFFAOYSA-N 0 0 427.551 3.862 50 0 IHAARN COc1cc([C@@H](CC(=O)Nc2cccnc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561405 522912349 /nfs/dbraw/zinc/91/23/49/522912349.db2.gz KEBJRHIIWKJALZ-HXUWFJFHSA-N 0 0 447.491 3.833 50 0 IHAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000020895490 522932995 /nfs/dbraw/zinc/93/29/95/522932995.db2.gz ICJJMOVZTVQTCB-IBGZPJMESA-N 0 0 433.917 3.929 50 0 IHAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)CC1 ZINC000012584932 522943126 /nfs/dbraw/zinc/94/31/26/522943126.db2.gz IDVSKDOBWZWDLD-UHFFFAOYSA-N 0 0 430.932 3.676 50 0 IHAARN CCc1oc2ccccc2c1C=CC(=O)N(CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012890021 523006302 /nfs/dbraw/zinc/00/63/02/523006302.db2.gz ALWJYHZLCNARAA-OUKQBFOZSA-N 0 0 431.492 3.920 50 0 IHAARN CN(C[C@@H](O)c1ccccc1)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000012442097 523023099 /nfs/dbraw/zinc/02/30/99/523023099.db2.gz ARDLAHZBIVYOJL-GOSISDBHSA-N 0 0 433.430 3.804 50 0 IHAARN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000012898167 523025245 /nfs/dbraw/zinc/02/52/45/523025245.db2.gz NNTGFFPEVLAJSN-HSZRJFAPSA-N 0 0 445.471 3.736 50 0 biogenic IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000702255 523029782 /nfs/dbraw/zinc/02/97/82/523029782.db2.gz XISOCZAHLQJLEH-SFHVURJKSA-N 0 0 432.542 3.666 50 0 IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccc(F)c1)N(C(=O)NC(C)(C)C)CC2 ZINC000036039287 523045097 /nfs/dbraw/zinc/04/50/97/523045097.db2.gz SRBXAWUXALZTIR-IBGZPJMESA-N 0 0 443.519 3.680 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCc2ccc(C)cc2)c(C)n3C)cc1 ZINC000035448817 523122217 /nfs/dbraw/zinc/12/22/17/523122217.db2.gz KTZOIDFXNRWLMS-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2C)c(C)n3C)cc1 ZINC000035448856 523123082 /nfs/dbraw/zinc/12/30/82/523123082.db2.gz WAIUEBNSTSQVDF-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1ccc(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1OC ZINC000012140448 523136118 /nfs/dbraw/zinc/13/61/18/523136118.db2.gz INMABBYPQAMJHW-UHFFFAOYSA-N 0 0 438.509 3.850 50 0 IHAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NC3CCCC3)c21 ZINC000012182289 523147159 /nfs/dbraw/zinc/14/71/59/523147159.db2.gz XHQQRKGMZNLMHX-UHFFFAOYSA-N 0 0 426.542 3.838 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)cc1 ZINC000021687784 523164043 /nfs/dbraw/zinc/16/40/43/523164043.db2.gz HLTYUADVBDOBOK-UHFFFAOYSA-N 0 0 441.528 3.681 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)n2)cc1 ZINC000012878496 523170198 /nfs/dbraw/zinc/17/01/98/523170198.db2.gz LNSWUKOGHJVVDO-UHFFFAOYSA-N 0 0 445.566 3.938 50 0 IHAARN COc1ccc(-c2csc3ncnc(Sc4nnnn4C[C@@H]4CCCO4)c23)cc1 ZINC000012813895 523171705 /nfs/dbraw/zinc/17/17/05/523171705.db2.gz YCIFCENAZXLGQQ-AWEZNQCLSA-N 0 0 426.527 3.684 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cs2)cc1OC ZINC000018943110 523189182 /nfs/dbraw/zinc/18/91/82/523189182.db2.gz GKEDEWWZLMWPTC-UHFFFAOYSA-N 0 0 439.537 3.798 50 0 IHAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCC(F)(F)F ZINC000020819445 523202392 /nfs/dbraw/zinc/20/23/92/523202392.db2.gz ICOXVHLDOJOIJO-UHFFFAOYSA-N 0 0 447.533 3.971 50 0 IHAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021329464 523205367 /nfs/dbraw/zinc/20/53/67/523205367.db2.gz VAFLSOUPYREWKE-HXUWFJFHSA-N 0 0 449.624 3.714 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5cccnc5)no4)c3C)c(C)o2)cc1 ZINC000033296934 523219034 /nfs/dbraw/zinc/21/90/34/523219034.db2.gz GGUGBBUFCKMROO-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(C)cc1 ZINC000012413672 523220755 /nfs/dbraw/zinc/22/07/55/523220755.db2.gz GCOHKKIWUKJLLS-UHFFFAOYSA-N 0 0 449.580 3.809 50 0 IHAARN COc1ccc(-c2nnc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)n2C)cc1 ZINC000021643563 523263207 /nfs/dbraw/zinc/26/32/07/523263207.db2.gz HYZIWJPBUCADQP-UHFFFAOYSA-N 0 0 439.566 3.731 50 0 IHAARN CCn1c2ccccc2n(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000024691548 523279429 /nfs/dbraw/zinc/27/94/29/523279429.db2.gz XLGBKZMPVXDUIB-INIZCTEOSA-N 0 0 436.537 3.645 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)N4CCCc5ccccc54)CC3)n2)cc1OC ZINC000021945101 523297348 /nfs/dbraw/zinc/29/73/48/523297348.db2.gz VWISLBWBFBEJCE-UHFFFAOYSA-N 0 0 448.523 3.950 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(OC)cc(OC)c4)CC3)n2)cc1 ZINC000021945043 523298159 /nfs/dbraw/zinc/29/81/59/523298159.db2.gz OQVAIULCPMRISF-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000020892612 523345440 /nfs/dbraw/zinc/34/54/40/523345440.db2.gz JNOWWAQLULJUAN-NRFANRHFSA-N 0 0 425.510 3.981 50 0 IHAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 ZINC000020564512 523348025 /nfs/dbraw/zinc/34/80/25/523348025.db2.gz HJXULOBBYSZRMU-SFHVURJKSA-N 0 0 448.571 3.716 50 0 IHAARN COC(=O)Cn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000012821022 523390714 /nfs/dbraw/zinc/39/07/14/523390714.db2.gz KNWIIPQMYGUJKP-OAHLLOKOSA-N 0 0 439.537 3.812 50 0 IHAARN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccc(C)cc1 ZINC000035656636 523464265 /nfs/dbraw/zinc/46/42/65/523464265.db2.gz SEAZSNYPPBLOJL-HMAPJEAMSA-N 0 0 442.496 3.993 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc21 ZINC000021646451 523495943 /nfs/dbraw/zinc/49/59/43/523495943.db2.gz AKJLEEQIMDLWMV-IBGZPJMESA-N 0 0 431.602 3.901 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)ccc21 ZINC000021646466 523495991 /nfs/dbraw/zinc/49/59/91/523495991.db2.gz UOICPUPVTOXBSF-OAQYLSRUSA-N 0 0 439.581 3.687 50 0 IHAARN COCCCn1c(C)cc(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C ZINC000012806433 523499698 /nfs/dbraw/zinc/49/96/98/523499698.db2.gz PVXNLVGCTOZMDO-UHFFFAOYSA-N 0 0 447.582 3.676 50 0 IHAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC(C)C)cc1 ZINC000035766893 523610443 /nfs/dbraw/zinc/61/04/43/523610443.db2.gz PBNFOADDCJXZSV-JOCHJYFZSA-N 0 0 428.529 3.594 50 0 IHAARN COC(=O)[C@@H](NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1)c1ccccc1 ZINC000012438893 523618629 /nfs/dbraw/zinc/61/86/29/523618629.db2.gz JUKSZCJQJOCBBJ-SFHVURJKSA-N 0 0 434.370 3.917 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1)C(=O)C(C)C ZINC000035961601 523653089 /nfs/dbraw/zinc/65/30/89/523653089.db2.gz GQTDGFXEELNWMW-JOCHJYFZSA-N 0 0 425.504 3.634 50 0 IHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000036051614 523672423 /nfs/dbraw/zinc/67/24/23/523672423.db2.gz FZYAATDRGOFTHZ-RPWUZVMVSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN CCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000012152007 523686759 /nfs/dbraw/zinc/68/67/59/523686759.db2.gz OBILSTQKLSKTJY-UHFFFAOYSA-N 0 0 439.556 3.930 50 0 IHAARN COC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2cc(NC(=O)c3ccc(C)cc3C)cn2)cc1 ZINC000012281150 523694574 /nfs/dbraw/zinc/69/45/74/523694574.db2.gz AADCPTPMRJZATJ-QFIPXVFZSA-N 0 0 446.507 3.519 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000012922235 523746874 /nfs/dbraw/zinc/74/68/74/523746874.db2.gz POSPOIKFOCZQPU-FQEVSTJZSA-N 0 0 438.286 3.606 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1OC ZINC000035428445 523749221 /nfs/dbraw/zinc/74/92/21/523749221.db2.gz ZXIOBPAAXNXSRY-UHFFFAOYSA-N 0 0 449.463 3.753 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1OC ZINC000035448226 523749664 /nfs/dbraw/zinc/74/96/64/523749664.db2.gz PRXBAWYOLKUQGK-UHFFFAOYSA-N 0 0 449.463 3.753 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1S(=O)(=O)N(C)C ZINC000014496782 523763419 /nfs/dbraw/zinc/76/34/19/523763419.db2.gz BQXQTGRPDFRGNU-UHFFFAOYSA-N 0 0 445.566 3.938 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)c(OC)c1 ZINC000012717603 523777020 /nfs/dbraw/zinc/77/70/20/523777020.db2.gz DTJFMMFCJDFVRV-MRXNPFEDSA-N 0 0 429.513 3.825 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579677 523781443 /nfs/dbraw/zinc/78/14/43/523781443.db2.gz UMDGDDVKOXYBPV-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009664569 523793009 /nfs/dbraw/zinc/79/30/09/523793009.db2.gz YYGFYTQBIZVGAR-UHFFFAOYSA-N 0 0 444.534 3.575 50 0 IHAARN COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000012845172 523796440 /nfs/dbraw/zinc/79/64/40/523796440.db2.gz MMTASRNWBPZEPT-UHFFFAOYSA-N 0 0 438.867 3.696 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233189 523828641 /nfs/dbraw/zinc/82/86/41/523828641.db2.gz LKZHLEHNWXTOPI-MRXNPFEDSA-N 0 0 447.520 3.575 50 0 IHAARN CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000021577615 523830623 /nfs/dbraw/zinc/83/06/23/523830623.db2.gz PNWTZPYPHAPSGP-QHCPKHFHSA-N 0 0 443.883 3.723 50 0 IHAARN COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012630427 523841556 /nfs/dbraw/zinc/84/15/56/523841556.db2.gz BOYSLZBRFNCAPA-UHFFFAOYSA-N 0 0 440.477 3.785 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12 ZINC000015783891 523849909 /nfs/dbraw/zinc/84/99/09/523849909.db2.gz MHNPYNHWMMASBK-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN COc1ccc(C2(C(=O)NCc3nnc(SCc4ccccn4)n3C)CCCC2)cc1 ZINC000012152427 523866354 /nfs/dbraw/zinc/86/63/54/523866354.db2.gz YVVCKDLXDCVTNL-UHFFFAOYSA-N 0 0 437.569 3.639 50 0 IHAARN COC(=O)[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccco1 ZINC000035844957 523878662 /nfs/dbraw/zinc/87/86/62/523878662.db2.gz LJFGPGMJVBPXMK-FQEVSTJZSA-N 0 0 438.524 3.816 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026606 523879290 /nfs/dbraw/zinc/87/92/90/523879290.db2.gz MXQBCKUJBOYVBA-WMZHIEFXSA-N 0 0 437.559 3.847 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cccc(Cl)c3C)S2(=O)=O)cc1 ZINC000035534715 523901516 /nfs/dbraw/zinc/90/15/16/523901516.db2.gz NAUOQDICOHDDAU-UHFFFAOYSA-N 0 0 432.929 3.753 50 0 IHAARN CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 ZINC000012552958 523908282 /nfs/dbraw/zinc/90/82/82/523908282.db2.gz HVKQMUFOLFTMCV-ZDUSSCGKSA-N 0 0 443.388 3.574 50 0 IHAARN COc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1 ZINC000033291263 523912834 /nfs/dbraw/zinc/91/28/34/523912834.db2.gz IQMWUTCCPJPJBN-HNNXBMFYSA-N 0 0 438.509 3.502 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000036007455 523914442 /nfs/dbraw/zinc/91/44/42/523914442.db2.gz AFSPNXODNKPBQB-UHFFFAOYSA-N 0 0 449.985 3.743 50 0 IHAARN COc1ccc(CCC(=O)NC[C@@H]2Cc3cccc(-c4nc(C)cc(C)n4)c3O2)cc1OC ZINC000011841816 523923670 /nfs/dbraw/zinc/92/36/70/523923670.db2.gz UWBQRHZXAMAVML-FQEVSTJZSA-N 0 0 447.535 3.830 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600986 523965089 /nfs/dbraw/zinc/96/50/89/523965089.db2.gz RHMWNJIFCCSWJF-XMSQKQJNSA-N 0 0 436.943 3.895 50 0 IHAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1 ZINC000035532915 523975157 /nfs/dbraw/zinc/97/51/57/523975157.db2.gz BWLBPHCDIFXGKZ-UHFFFAOYSA-N 0 0 431.612 3.933 50 0 IHAARN CC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(=O)n12 ZINC000035911857 523977046 /nfs/dbraw/zinc/97/70/46/523977046.db2.gz DUHZVGIZWOQRAB-HNNXBMFYSA-N 0 0 449.580 3.991 50 0 IHAARN COc1ccc(CCn2c(=O)c3c4c(sc3nc2SCCO)CCCC4)cc1OC ZINC000012809616 523984937 /nfs/dbraw/zinc/98/49/37/523984937.db2.gz UPXQIZSAQMYPQX-UHFFFAOYSA-N 0 0 446.594 3.681 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000012630938 524000681 /nfs/dbraw/zinc/00/06/81/524000681.db2.gz GCLNAKSEBPLXTM-UHFFFAOYSA-N 0 0 440.521 3.777 50 0 IHAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000012550983 524004410 /nfs/dbraw/zinc/00/44/10/524004410.db2.gz WEBFCNDHZMJKBE-FUHWJXTLSA-N 0 0 440.569 3.660 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000895 524022059 /nfs/dbraw/zinc/02/20/59/524022059.db2.gz AQIQGGAKHOQZNX-QGZVFWFLSA-N 0 0 432.904 3.576 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2cccc(F)c2)c1C ZINC000036000778 524022105 /nfs/dbraw/zinc/02/21/05/524022105.db2.gz OEUILTDVUSMNCB-UHFFFAOYSA-N 0 0 437.471 3.520 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1OC ZINC000033311953 524046032 /nfs/dbraw/zinc/04/60/32/524046032.db2.gz OQXRREHMFUCPRD-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccc(CNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c(OC)c1 ZINC000015736059 524051267 /nfs/dbraw/zinc/05/12/67/524051267.db2.gz MOWNKLQKZNSQSZ-UHFFFAOYSA-N 0 0 435.505 3.527 50 0 IHAARN CCc1cccc(-n2c(SCC(=O)c3cc(C)[nH]c3C)nnc2N2CCOCC2)c1 ZINC000012548898 524061852 /nfs/dbraw/zinc/06/18/52/524061852.db2.gz ALFOXMFLUMSHHF-UHFFFAOYSA-N 0 0 425.558 3.586 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c(OC)c1 ZINC000035397967 524064289 /nfs/dbraw/zinc/06/42/89/524064289.db2.gz UIZXCGAOEDJSPA-FQEVSTJZSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1 ZINC000033173811 524073903 /nfs/dbraw/zinc/07/39/03/524073903.db2.gz CYMUZSCCDVRFKP-UHFFFAOYSA-N 0 0 431.461 3.953 50 0 IHAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1OC ZINC000015670288 524115019 /nfs/dbraw/zinc/11/50/19/524115019.db2.gz BDCHOLGMKISYRF-KRWDZBQOSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(Cc2nc3c4cnn(-c5cccc(Br)c5)c4ncn3n2)cc1 ZINC000021168132 524163697 /nfs/dbraw/zinc/16/36/97/524163697.db2.gz JDPPKUDLPYXACC-UHFFFAOYSA-N 0 0 435.285 3.825 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054182 524180804 /nfs/dbraw/zinc/18/08/04/524180804.db2.gz WXDBQOWCPOURDX-RTBURBONSA-N 0 0 444.959 3.985 50 0 IHAARN C[C@@H](C(=O)NCCCN1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000021349279 524180801 /nfs/dbraw/zinc/18/08/01/524180801.db2.gz SCNMUMOLIVDPMJ-KRWDZBQOSA-N 0 0 426.948 3.756 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)c1 ZINC000021848846 524189736 /nfs/dbraw/zinc/18/97/36/524189736.db2.gz NDXKAACOMWBTAI-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c21 ZINC000020726536 524201058 /nfs/dbraw/zinc/20/10/58/524201058.db2.gz TZCMVLHUXVKZHM-IBGZPJMESA-N 0 0 434.418 3.538 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)c1 ZINC000012892923 524201540 /nfs/dbraw/zinc/20/15/40/524201540.db2.gz NMRBWQPJOCCSAI-UZUQRXQVSA-N 0 0 436.508 3.916 50 0 IHAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)NC2=O)cc1C ZINC000035430743 524231150 /nfs/dbraw/zinc/23/11/50/524231150.db2.gz HMFYYMHWZRQIBE-UHFFFAOYSA-N 0 0 438.959 3.615 50 0 biogenic IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947806 524231425 /nfs/dbraw/zinc/23/14/25/524231425.db2.gz KNEHTPJJFVDSIR-JOCHJYFZSA-N 0 0 447.535 3.968 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612713 524241500 /nfs/dbraw/zinc/24/15/00/524241500.db2.gz RRBWJEKVUTXSQC-GOSISDBHSA-N 0 0 432.561 3.505 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1C ZINC000012212699 524251330 /nfs/dbraw/zinc/25/13/30/524251330.db2.gz IHLAMNCKJDLUAB-UHFFFAOYSA-N 0 0 446.638 3.967 50 0 IHAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)on1 ZINC000012763682 524267824 /nfs/dbraw/zinc/26/78/24/524267824.db2.gz YFSWCESXMKQFNJ-UHFFFAOYSA-N 0 0 447.944 3.510 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000016369519 524267920 /nfs/dbraw/zinc/26/79/20/524267920.db2.gz VOPHDXLGOLNWIA-ZDUSSCGKSA-N 0 0 447.948 3.820 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000018127719 524275973 /nfs/dbraw/zinc/27/59/73/524275973.db2.gz YAWYAABEZNNSLK-UHFFFAOYSA-N 0 0 440.594 3.885 50 0 IHAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Br)cc1 ZINC000012782199 524288517 /nfs/dbraw/zinc/28/85/17/524288517.db2.gz BZBZCFVHHOGPSJ-NSHDSACASA-N 0 0 436.375 3.557 50 0 IHAARN COc1ccc(F)cc1COC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 ZINC000012817716 524317980 /nfs/dbraw/zinc/31/79/80/524317980.db2.gz IBZDEFLZVFGBPG-LBPRGKRZSA-N 0 0 437.851 3.601 50 0 IHAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)n(Cc3ccco3)c2n1 ZINC000012446300 524342887 /nfs/dbraw/zinc/34/28/87/524342887.db2.gz WPMZOUKRBBYOFC-UHFFFAOYSA-N 0 0 446.507 3.578 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000016742577 524357215 /nfs/dbraw/zinc/35/72/15/524357215.db2.gz QMAVWIRJHCDIAZ-IEBWSBKVSA-N 0 0 433.570 3.869 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000033399859 524360398 /nfs/dbraw/zinc/36/03/98/524360398.db2.gz XFIUHNGZTSSYHQ-MSUUIHNZSA-N 0 0 436.533 3.819 50 0 IHAARN C[C@@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000020930735 524385933 /nfs/dbraw/zinc/38/59/33/524385933.db2.gz QTAKMUNPCSHZAK-RYUDHWBXSA-N 0 0 438.958 3.964 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020581572 524411408 /nfs/dbraw/zinc/41/14/08/524411408.db2.gz RPAQFZZWAXYVRF-RBUKOAKNSA-N 0 0 438.471 3.930 50 0 IHAARN C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 ZINC000012873372 524438143 /nfs/dbraw/zinc/43/81/43/524438143.db2.gz BMRZSCQOUYDVSK-ZDUSSCGKSA-N 0 0 445.566 3.768 50 0 IHAARN COc1ccc(N2CCn3c(SCC(=O)NCc4ccccc4Cl)nnc32)cc1 ZINC000016953978 524440621 /nfs/dbraw/zinc/44/06/21/524440621.db2.gz YGVZKJMGAQUSGR-UHFFFAOYSA-N 0 0 429.933 3.500 50 0 IHAARN COc1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 ZINC000012440853 524478133 /nfs/dbraw/zinc/47/81/33/524478133.db2.gz KFRWMCSTQOQDFP-UHFFFAOYSA-N 0 0 427.888 4.000 50 0 IHAARN COc1ccccc1CNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033012118 524482750 /nfs/dbraw/zinc/48/27/50/524482750.db2.gz BLCQGQBPKCAAND-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccc(OC)cc4)nn3c2=O)cc1 ZINC000035448799 524483861 /nfs/dbraw/zinc/48/38/61/524483861.db2.gz FZZSVCKGHLULCO-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OC ZINC000021882466 524485802 /nfs/dbraw/zinc/48/58/02/524485802.db2.gz LGCLIWWFXDXERT-UHFFFAOYSA-N 0 0 427.526 3.842 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000012857706 524489631 /nfs/dbraw/zinc/48/96/31/524489631.db2.gz WSGFIYIWICDEGD-UHFFFAOYSA-N 0 0 441.491 3.654 50 0 IHAARN COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000012847330 524502900 /nfs/dbraw/zinc/50/29/00/524502900.db2.gz SLXOJLCDFAYJJL-UHFFFAOYSA-N 0 0 432.542 3.504 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1 ZINC000035535066 524514104 /nfs/dbraw/zinc/51/41/04/524514104.db2.gz SWNNERLZNPPYQW-UHFFFAOYSA-N 0 0 425.488 3.561 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000035535277 524514180 /nfs/dbraw/zinc/51/41/80/524514180.db2.gz UEHBHMOEXUEXQT-UHFFFAOYSA-N 0 0 445.906 3.906 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1Cl ZINC000012414939 524532714 /nfs/dbraw/zinc/53/27/14/524532714.db2.gz UHLIPJUGDWEBSE-UHFFFAOYSA-N 0 0 428.901 3.924 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)C[C@@H]2C)c1 ZINC000033061537 524546086 /nfs/dbraw/zinc/54/60/86/524546086.db2.gz JYUJCDLDVWYQLY-SFHVURJKSA-N 0 0 449.580 3.769 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(OC)c1 ZINC000035447734 524550896 /nfs/dbraw/zinc/55/08/96/524550896.db2.gz NEOAYIXTIGIQFH-UHFFFAOYSA-N 0 0 431.496 3.859 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021157017 524552386 /nfs/dbraw/zinc/55/23/86/524552386.db2.gz CZPFUUHNCHUNBS-XMMPIXPASA-N 0 0 434.561 3.735 50 0 IHAARN Cc1cccc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c1C ZINC000021355690 524586784 /nfs/dbraw/zinc/58/67/84/524586784.db2.gz PADQPPPZYBPOAA-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1cccnc1 ZINC000012540369 524587848 /nfs/dbraw/zinc/58/78/48/524587848.db2.gz IEBAMZHFPLGMMY-FQEVSTJZSA-N 0 0 428.452 3.869 50 0 IHAARN Cc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C ZINC000020930746 524607498 /nfs/dbraw/zinc/60/74/98/524607498.db2.gz PWESCRBBDILOTN-DZGCQCFKSA-N 0 0 432.567 3.927 50 0 IHAARN COc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012776687 524621797 /nfs/dbraw/zinc/62/17/97/524621797.db2.gz RRKHQCJIABKRLR-AREMUKBSSA-N 0 0 441.487 3.813 50 0 IHAARN COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2C)ncc1Cl ZINC000012063028 524630441 /nfs/dbraw/zinc/63/04/41/524630441.db2.gz QGLDINZWQSVBFV-UHFFFAOYSA-N 0 0 431.901 3.673 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)Sc2ccc(C)cc2)n1 ZINC000016679125 524650260 /nfs/dbraw/zinc/65/02/60/524650260.db2.gz IKOGSDQRBSBDNJ-CQSZACIVSA-N 0 0 425.514 3.738 50 0 IHAARN COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012538184 524652750 /nfs/dbraw/zinc/65/27/50/524652750.db2.gz GRVJCEYCXAPIMI-UHFFFAOYSA-N 0 0 438.509 3.527 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@H](C)c3ccccc3)s2)cc1 ZINC000032986997 524660712 /nfs/dbraw/zinc/66/07/12/524660712.db2.gz AXTMUVOHLGNCEJ-CQSZACIVSA-N 0 0 442.566 3.910 50 0 IHAARN COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1S(=O)(=O)N(C)C ZINC000012688687 524662668 /nfs/dbraw/zinc/66/26/68/524662668.db2.gz FJLJOZAMZNWPSO-UHFFFAOYSA-N 0 0 437.568 3.691 50 0 IHAARN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000012371781 524664970 /nfs/dbraw/zinc/66/49/70/524664970.db2.gz YZTYTLYTUWACDD-UHFFFAOYSA-N 0 0 430.457 3.653 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000012548530 524690079 /nfs/dbraw/zinc/69/00/79/524690079.db2.gz DXGHCXCLKCDKGN-UHFFFAOYSA-N 0 0 442.493 3.766 50 0 IHAARN C[C@@H](CNC(=O)c1cccc(Cl)c1)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 ZINC000012162242 524720719 /nfs/dbraw/zinc/72/07/19/524720719.db2.gz RPGVQNRXTMJNGD-KRWDZBQOSA-N 0 0 426.948 3.903 50 0 IHAARN C[C@H](Cc1ccco1)NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011540 524744170 /nfs/dbraw/zinc/74/41/70/524744170.db2.gz AESUBNKDYWCBAI-LLVKDONJSA-N 0 0 436.946 3.876 50 0 IHAARN Cc1cccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000012598713 524785544 /nfs/dbraw/zinc/78/55/44/524785544.db2.gz KJYVITPXDFLZBL-UHFFFAOYSA-N 0 0 443.459 3.717 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccc(OC)c(OC)c3)nn2)c1 ZINC000012140446 524851816 /nfs/dbraw/zinc/85/18/16/524851816.db2.gz XTUQPSBRIAVZMZ-UHFFFAOYSA-N 0 0 441.509 3.909 50 0 IHAARN C[C@@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@H](C)O1 ZINC000015276738 524857951 /nfs/dbraw/zinc/85/79/51/524857951.db2.gz BLIHUZYNQFKCSS-DTORHVGOSA-N 0 0 445.107 3.567 50 0 IHAARN COc1ccc(OC)c(NC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1 ZINC000012137352 524869182 /nfs/dbraw/zinc/86/91/82/524869182.db2.gz MMTLMNVOHJTBAA-UHFFFAOYSA-N 0 0 444.553 3.863 50 0 IHAARN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012740682 524869445 /nfs/dbraw/zinc/86/94/45/524869445.db2.gz OSDIWHIYXNRDAB-UHFFFAOYSA-N 0 0 428.272 3.788 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)c1 ZINC000012895721 524896010 /nfs/dbraw/zinc/89/60/10/524896010.db2.gz KBLOYGWYNZSARB-INIZCTEOSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC(C)C)c1 ZINC000036045389 524917178 /nfs/dbraw/zinc/91/71/78/524917178.db2.gz WLTIMCXKSCMXKW-UXHICEINSA-N 0 0 430.932 3.738 50 0 IHAARN Cc1cccc2c(C)cc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)nc12 ZINC000012568885 524929035 /nfs/dbraw/zinc/92/90/35/524929035.db2.gz LJIQFEGVXASICJ-GOSISDBHSA-N 0 0 432.611 3.902 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033268546 524936352 /nfs/dbraw/zinc/93/63/52/524936352.db2.gz QUBLEOPZIBWLNN-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000015732542 525012104 /nfs/dbraw/zinc/01/21/04/525012104.db2.gz JXLBAUNWNWWIHE-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000021911241 525014061 /nfs/dbraw/zinc/01/40/61/525014061.db2.gz CEHQMLMYIJSWSS-KRWDZBQOSA-N 0 0 447.564 3.623 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)N1CCCc3ccccc31)nc2C(C)C ZINC000012229051 525033481 /nfs/dbraw/zinc/03/34/81/525033481.db2.gz ZHEVYKGZCRMYDE-UHFFFAOYSA-N 0 0 441.535 3.993 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(Cl)c1 ZINC000012587853 525057992 /nfs/dbraw/zinc/05/79/92/525057992.db2.gz KGOIDCMTDBTVFA-NRFANRHFSA-N 0 0 427.932 3.867 50 0 IHAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000012911238 525062379 /nfs/dbraw/zinc/06/23/79/525062379.db2.gz SNLPQDDMPRIANC-AYYPHNGDSA-N 0 0 438.568 3.619 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883490 525063369 /nfs/dbraw/zinc/06/33/69/525063369.db2.gz OXIJKGMPLCKPBC-QGZVFWFLSA-N 0 0 444.487 3.906 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2OC)c2cccs2)cc1 ZINC000015780874 525092697 /nfs/dbraw/zinc/09/26/97/525092697.db2.gz FVXVIJYGWQAWJJ-HXUWFJFHSA-N 0 0 431.535 3.710 50 0 IHAARN COc1ccc(S(=O)(=O)c2nc(-c3cccc(Cl)c3)oc2N2CCOCC2)cc1 ZINC000012370949 525094986 /nfs/dbraw/zinc/09/49/86/525094986.db2.gz MKQRRLNOKVCGOM-UHFFFAOYSA-N 0 0 434.901 3.673 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c(Cl)c1 ZINC000012447181 525100535 /nfs/dbraw/zinc/10/05/35/525100535.db2.gz YWUBNPDMYCBHKR-UHFFFAOYSA-N 0 0 448.910 3.765 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1 ZINC000012461639 525100573 /nfs/dbraw/zinc/10/05/73/525100573.db2.gz PURUASDDSNGIMG-UHFFFAOYSA-N 0 0 425.488 3.879 50 0 biogenic,in-vitro IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)n(-c2ccccc2C)n1 ZINC000012819468 525132374 /nfs/dbraw/zinc/13/23/74/525132374.db2.gz CQOUADWPVAKNMA-UHFFFAOYSA-N 0 0 425.920 3.652 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 ZINC000012825281 525133009 /nfs/dbraw/zinc/13/30/09/525133009.db2.gz HZLDWKGVOCFONZ-UHFFFAOYSA-N 0 0 425.920 3.652 50 0 IHAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012911142 525138521 /nfs/dbraw/zinc/13/85/21/525138521.db2.gz XAYKHHHBHUPCBM-YVWYTEFXSA-N 0 0 441.575 3.745 50 0 IHAARN Cc1ccccc1CNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021651163 525154372 /nfs/dbraw/zinc/15/43/72/525154372.db2.gz LOSHHUWNRCHRNN-WJOKGBTCSA-N 0 0 432.549 3.537 50 0 IHAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000021863890 525197123 /nfs/dbraw/zinc/19/71/23/525197123.db2.gz UQEVOMJNZHFTHL-RUZDIDTESA-N 0 0 447.491 3.955 50 0 IHAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1CCCc1ccccc1 ZINC000021861817 525197891 /nfs/dbraw/zinc/19/78/91/525197891.db2.gz PQMMHDOHRCVWAB-AREMUKBSSA-N 0 0 430.552 3.942 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 ZINC000012521277 525219675 /nfs/dbraw/zinc/21/96/75/525219675.db2.gz VLWSNLHDWWXUCK-UGSOOPFHSA-N 0 0 442.459 3.804 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CC(C)C ZINC000035531880 525242410 /nfs/dbraw/zinc/24/24/10/525242410.db2.gz XURFPXOAHMAKMI-UHFFFAOYSA-N 0 0 427.555 3.801 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2Cc2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 ZINC000012628161 525242627 /nfs/dbraw/zinc/24/26/27/525242627.db2.gz MVUOFWGIGMAALJ-QFIPXVFZSA-N 0 0 442.585 3.939 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059818 525254059 /nfs/dbraw/zinc/25/40/59/525254059.db2.gz BIYUVEABGBFIHG-FCHUYYIVSA-N 0 0 438.568 3.998 50 0 IHAARN Cc1ccc(NC(=O)c2cnccn2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012508028 525254151 /nfs/dbraw/zinc/25/41/51/525254151.db2.gz VQZBBSQIJVPOQZ-UHFFFAOYSA-N 0 0 436.415 3.857 50 0 IHAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 ZINC000020323505 525262371 /nfs/dbraw/zinc/26/23/71/525262371.db2.gz IJFBCGLJZVMDAF-BZZOAKBMSA-N 0 0 433.489 3.788 50 0 IHAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1OC(F)F ZINC000012609180 525267933 /nfs/dbraw/zinc/26/79/33/525267933.db2.gz SBQNMJOQFYBBTE-OAQYLSRUSA-N 0 0 447.482 3.585 50 0 IHAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCCOC(C)C)cc1 ZINC000020939027 525278821 /nfs/dbraw/zinc/27/88/21/525278821.db2.gz UPCLAGWRLZZPNL-XMMPIXPASA-N 0 0 449.551 3.663 50 0 IHAARN Cc1ccccc1OCCN(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012746605 525294469 /nfs/dbraw/zinc/29/44/69/525294469.db2.gz UNGSWRMGBAVTHK-UHFFFAOYSA-N 0 0 443.594 3.552 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)cc1 ZINC000015882304 525322917 /nfs/dbraw/zinc/32/29/17/525322917.db2.gz SRHFKROYKZDKKT-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccc(C(C)C)cc3)n2)cc1 ZINC000018521660 525326628 /nfs/dbraw/zinc/32/66/28/525326628.db2.gz QQGLXMDFELWONL-UHFFFAOYSA-N 0 0 433.545 3.897 50 0 IHAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000012549314 525333196 /nfs/dbraw/zinc/33/31/96/525333196.db2.gz VTWXQZGUPXOLNC-GOSISDBHSA-N 0 0 436.693 3.508 50 0 IHAARN C[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000012383997 525342539 /nfs/dbraw/zinc/34/25/39/525342539.db2.gz YOUQGZZYVHMNRN-CYBMUJFWSA-N 0 0 429.933 3.690 50 0 IHAARN Cc1cc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012789185 525363837 /nfs/dbraw/zinc/36/38/37/525363837.db2.gz AEKLEIDLOKRARN-UHFFFAOYSA-N 0 0 436.961 3.518 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1OC ZINC000015670303 525403238 /nfs/dbraw/zinc/40/32/38/525403238.db2.gz HKEWFBVLVLNCAR-QGZVFWFLSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC(=O)Nc3ccccc32)cc1 ZINC000033404878 525404078 /nfs/dbraw/zinc/40/40/78/525404078.db2.gz YNGXJAUDTAJKGD-XMMPIXPASA-N 0 0 440.503 3.832 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 ZINC000035945823 525405820 /nfs/dbraw/zinc/40/58/20/525405820.db2.gz STUZPVZJGVKGLE-OAQYLSRUSA-N 0 0 425.916 3.895 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)ccc1F ZINC000012745192 525420096 /nfs/dbraw/zinc/42/00/96/525420096.db2.gz VVIOXACMLRVYAR-UHFFFAOYSA-N 0 0 432.502 3.916 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059705 525420318 /nfs/dbraw/zinc/42/03/18/525420318.db2.gz ZOUBCGKHTHGWFN-NHCUHLMSSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062018 525422837 /nfs/dbraw/zinc/42/28/37/525422837.db2.gz LHLGZKMIKQXFQX-NHCUHLMSSA-N 0 0 442.531 3.861 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000035447902 525433505 /nfs/dbraw/zinc/43/35/05/525433505.db2.gz VDCFDFUBJVCBBC-UHFFFAOYSA-N 0 0 433.468 3.784 50 0 IHAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000012361688 525442965 /nfs/dbraw/zinc/44/29/65/525442965.db2.gz NNSQKIBBXDCUQF-NRFANRHFSA-N 0 0 432.929 3.953 50 0 IHAARN COc1ccc2c(C)c(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)c(=O)oc2c1C ZINC000012902230 525496301 /nfs/dbraw/zinc/49/63/01/525496301.db2.gz KDONVTARWZDYCB-UHFFFAOYSA-N 0 0 437.492 3.563 50 0 biogenic IHAARN COc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCc4ccccc43)c(=O)oc2c1 ZINC000012835172 525497296 /nfs/dbraw/zinc/49/72/96/525497296.db2.gz VIRNMFILTFANIY-MRXNPFEDSA-N 0 0 435.476 3.564 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000035363338 525526818 /nfs/dbraw/zinc/52/68/18/525526818.db2.gz GJUSLCYKYVBCTC-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000012811880 525527798 /nfs/dbraw/zinc/52/77/98/525527798.db2.gz PDDWTTZJNDKMBP-SFHVURJKSA-N 0 0 429.567 3.811 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000012770456 525537236 /nfs/dbraw/zinc/53/72/36/525537236.db2.gz QVBTUCIDOOMMAQ-KRWDZBQOSA-N 0 0 428.432 3.685 50 0 IHAARN Cc1cc2c(cc1F)n(CC(=O)Nc1cccc(F)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535393 525604815 /nfs/dbraw/zinc/60/48/15/525604815.db2.gz SBQGDIJCFJGDBB-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000012757801 525605059 /nfs/dbraw/zinc/60/50/59/525605059.db2.gz IQUGJAHOENFMFC-UHFFFAOYSA-N 0 0 442.990 3.932 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccccc3F)CC1)[nH]c1c2C(=O)CCC1 ZINC000020990289 525615879 /nfs/dbraw/zinc/61/58/79/525615879.db2.gz KIBHSLPBDNNWIE-UHFFFAOYSA-N 0 0 441.528 3.645 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@H](C)N(c4ccccc4)C3=O)ccc2c1 ZINC000021932415 525626741 /nfs/dbraw/zinc/62/67/41/525626741.db2.gz RFEYDVMYEAXQDB-KRWDZBQOSA-N 0 0 431.492 3.664 50 0 IHAARN Cc1c(C(=O)NCc2ccccc2C)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000012205985 525630476 /nfs/dbraw/zinc/63/04/76/525630476.db2.gz YKDRKLOFYYLYBU-UHFFFAOYSA-N 0 0 437.569 3.663 50 0 IHAARN Cc1c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000012558149 525669189 /nfs/dbraw/zinc/66/91/89/525669189.db2.gz KTPFLEXXBRPHPS-GFCCVEGCSA-N 0 0 443.385 3.749 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)/C=C/c4ccccc4)c3C)cc(=O)n2o1 ZINC000041089630 525672932 /nfs/dbraw/zinc/67/29/32/525672932.db2.gz WOQCEUKUAFIOJB-VAWYXSNFSA-N 0 0 443.459 3.913 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)nc2c1 ZINC000012627463 525679035 /nfs/dbraw/zinc/67/90/35/525679035.db2.gz GPIMOEFNWPVPEY-UHFFFAOYSA-N 0 0 436.990 3.723 50 0 IHAARN Cc1cc2oc(=O)cc(Cn3ncc(Br)c(Br)c3=O)c2cc1C ZINC000023558244 525689627 /nfs/dbraw/zinc/68/96/27/525689627.db2.gz PNMSPOQKBNTULY-UHFFFAOYSA-N 0 0 440.091 3.540 50 0 IHAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(CCN1CCOCC1)C3=O ZINC000020308698 525691783 /nfs/dbraw/zinc/69/17/83/525691783.db2.gz SFLBHMNDHLWJGC-OAQYLSRUSA-N 0 0 438.911 3.632 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(OC)c3)n2)c1 ZINC000015670477 525717329 /nfs/dbraw/zinc/71/73/29/525717329.db2.gz RHOUZVVJCWDICB-LJQANCHMSA-N 0 0 442.479 3.524 50 0 IHAARN COc1cccc(-c2nc3ccc(C(=O)N4CCN(Cc5cccnc5)CC4)cc3o2)c1 ZINC000020999909 525729804 /nfs/dbraw/zinc/72/98/04/525729804.db2.gz MYNPWDVXQNRHNT-UHFFFAOYSA-N 0 0 428.492 3.856 50 0 IHAARN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000012538651 525745504 /nfs/dbraw/zinc/74/55/04/525745504.db2.gz PVSHRILWYREEOG-UHFFFAOYSA-N 0 0 445.932 3.927 50 0 IHAARN COc1cccc(-n2cnn(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)c2=S)c1 ZINC000012517618 525753280 /nfs/dbraw/zinc/75/32/80/525753280.db2.gz NDNFGKDQNMAONZ-UHFFFAOYSA-N 0 0 441.532 3.533 50 0 IHAARN Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2CCN2CCOCC2)CC1=O ZINC000021171815 525759136 /nfs/dbraw/zinc/75/91/36/525759136.db2.gz MSWSTXUGHSLSEQ-SFHVURJKSA-N 0 0 438.959 3.851 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)o1 ZINC000012623025 525762865 /nfs/dbraw/zinc/76/28/65/525762865.db2.gz DTOIDPFBUZWQOT-LJQANCHMSA-N 0 0 439.537 3.705 50 0 IHAARN COc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1OC(F)F ZINC000012794030 525765877 /nfs/dbraw/zinc/76/58/77/525765877.db2.gz WWCFRQZPFILZPO-VBKFSLOCSA-N 0 0 428.391 3.768 50 0 IHAARN Cc1ccnn1CC(=O)NCc1nnc(SCc2ccccc2Cl)n1CC(C)C ZINC000012056742 525774945 /nfs/dbraw/zinc/77/49/45/525774945.db2.gz HDVUJCHDXAECKT-UHFFFAOYSA-N 0 0 432.981 3.701 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)o1 ZINC000012632035 525781737 /nfs/dbraw/zinc/78/17/37/525781737.db2.gz IEUXJPIQAOAJHV-UHFFFAOYSA-N 0 0 431.539 3.751 50 0 IHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccc(F)cc3)COC23CCC(C)CC3)c1 ZINC000034921123 525812066 /nfs/dbraw/zinc/81/20/66/525812066.db2.gz QVENPCUTDUJQOI-ADUWNVSDSA-N 0 0 440.515 3.898 50 0 IHAARN Cc1c(N2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012372092 525823394 /nfs/dbraw/zinc/82/33/94/525823394.db2.gz WRSKBELJWDFWOP-VWLOTQADSA-N 0 0 445.906 3.992 50 0 IHAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)Nc3cccc(Cl)c3)CCC2)cc1 ZINC000033324791 525826564 /nfs/dbraw/zinc/82/65/64/525826564.db2.gz VDZIOISMMJQCMI-UHFFFAOYSA-N 0 0 433.899 3.647 50 0 IHAARN COc1cccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)c1 ZINC000041089573 525832138 /nfs/dbraw/zinc/83/21/38/525832138.db2.gz QDBYLCAKBLFPSZ-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012752975 525855767 /nfs/dbraw/zinc/85/57/67/525855767.db2.gz CJENXJPKTSSJJF-UHFFFAOYSA-N 0 0 427.961 3.544 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962258 525858730 /nfs/dbraw/zinc/85/87/30/525858730.db2.gz LDFXRFSBONOHHR-NRFANRHFSA-N 0 0 435.455 3.877 50 0 IHAARN Cc1c(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)c(C(N)=O)nn1C ZINC000044890316 525861882 /nfs/dbraw/zinc/86/18/82/525861882.db2.gz CQRMQYPVLKVVGO-UHFFFAOYSA-N 0 0 427.917 3.798 50 0 IHAARN C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012847256 525889668 /nfs/dbraw/zinc/88/96/68/525889668.db2.gz OMJMAHXNYBFHDH-CQSZACIVSA-N 0 0 432.423 3.528 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000018328418 525892519 /nfs/dbraw/zinc/89/25/19/525892519.db2.gz RGFGSBQMJKLOIL-GUYCJALGSA-N 0 0 441.867 3.543 50 0 IHAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000012549243 525893322 /nfs/dbraw/zinc/89/33/22/525893322.db2.gz VCBFOZWRXZLOFG-SFHVURJKSA-N 0 0 436.693 3.508 50 0 IHAARN COc1cccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)c1OC ZINC000012914552 525906850 /nfs/dbraw/zinc/90/68/50/525906850.db2.gz FREWVHOOSYWNFS-UHFFFAOYSA-N 0 0 432.929 3.960 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1cccc(C)c1)nc2C ZINC000020563661 525934642 /nfs/dbraw/zinc/93/46/42/525934642.db2.gz NBAQMHVMNBADAZ-LJQANCHMSA-N 0 0 429.524 3.693 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NC1CCC(C)CC1)nc2C ZINC000015942958 525935446 /nfs/dbraw/zinc/93/54/46/525935446.db2.gz LQYJQCIFXTYDJI-UHFFFAOYSA-N 0 0 435.572 3.983 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000021445987 525958562 /nfs/dbraw/zinc/95/85/62/525958562.db2.gz AVBZOQACDNXFJO-UHFFFAOYSA-N 0 0 428.807 3.910 50 0 IHAARN COc1cccc(CNC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)c1 ZINC000032961407 525966709 /nfs/dbraw/zinc/96/67/09/525966709.db2.gz BFRAVRBZHKPCFS-UHFFFAOYSA-N 0 0 441.553 3.865 50 0 IHAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cccnc3SC)C2)c1 ZINC000012432795 525968740 /nfs/dbraw/zinc/96/87/40/525968740.db2.gz SDXZWWNLRGVPMU-KRWDZBQOSA-N 0 0 427.570 3.761 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417339 525994332 /nfs/dbraw/zinc/99/43/32/525994332.db2.gz RZELOPFPLAYMIG-KRWDZBQOSA-N 0 0 446.526 3.922 50 0 IHAARN CSc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000015943004 525995815 /nfs/dbraw/zinc/99/58/15/525995815.db2.gz QHMHMPIRNKWEFL-UHFFFAOYSA-N 0 0 447.564 3.546 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000022358717 526001028 /nfs/dbraw/zinc/00/10/28/526001028.db2.gz JFXAMIZMQAXARS-GOSISDBHSA-N 0 0 448.592 3.922 50 0 IHAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000012364866 526001475 /nfs/dbraw/zinc/00/14/75/526001475.db2.gz MNBVVFPIOHHHOR-AWEZNQCLSA-N 0 0 428.945 3.841 50 0 IHAARN Cc1cc(-c2csc(CN3CCN(CC(=O)NC(C)(C)C)CC3)n2)c(C)n1C1CC1 ZINC000022816099 526048227 /nfs/dbraw/zinc/04/82/27/526048227.db2.gz STICYDDKYSEOJH-UHFFFAOYSA-N 0 0 429.634 3.596 50 0 IHAARN Cc1cnc(NC(=O)CN(CC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000035746365 526077253 /nfs/dbraw/zinc/07/72/53/526077253.db2.gz KDFZIKQWIIZEBP-UHFFFAOYSA-N 0 0 435.493 3.756 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000024503339 526081436 /nfs/dbraw/zinc/08/14/36/526081436.db2.gz RHECXCCMBKZYEH-GOSISDBHSA-N 0 0 440.503 3.868 50 0 IHAARN COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(OC)c3)CC2)c1 ZINC000035887675 526084823 /nfs/dbraw/zinc/08/48/23/526084823.db2.gz YYQJFQFLYOTWBQ-UHFFFAOYSA-N 0 0 446.551 3.664 50 0 IHAARN CSc1cccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)c1 ZINC000021040511 526111650 /nfs/dbraw/zinc/11/16/50/526111650.db2.gz RFRZNGGULVHVIM-UHFFFAOYSA-N 0 0 433.537 3.721 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(C(C)(C)C)s4)CC3=O)c2c1 ZINC000012863032 526113043 /nfs/dbraw/zinc/11/30/43/526113043.db2.gz LNJVUGMWKYBBEN-OAHLLOKOSA-N 0 0 425.558 3.655 50 0 IHAARN CSc1cccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012462134 526114856 /nfs/dbraw/zinc/11/48/56/526114856.db2.gz ALSINGWJWQVCEG-UHFFFAOYSA-N 0 0 437.550 3.870 50 0 biogenic,in-vitro IHAARN COc1cccc(N2CCN(C(=O)CS[C@@H]3CCc4ccccc4NC3=O)CC2)c1 ZINC000012324352 526147996 /nfs/dbraw/zinc/14/79/96/526147996.db2.gz OMZAYQMNTYPWDV-OAQYLSRUSA-N 0 0 425.554 3.680 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020530997 526150901 /nfs/dbraw/zinc/15/09/01/526150901.db2.gz QQJXKYINXVVYSO-VWLOTQADSA-N 0 0 441.531 3.741 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000012806411 526168300 /nfs/dbraw/zinc/16/83/00/526168300.db2.gz CYOCPNRHVNLZQO-UHFFFAOYSA-N 0 0 444.329 3.595 50 0 IHAARN C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012923387 526178716 /nfs/dbraw/zinc/17/87/16/526178716.db2.gz CBCJIHARBCVYJJ-HOTGVXAUSA-N 0 0 436.581 3.628 50 0 IHAARN COc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000012912017 526199189 /nfs/dbraw/zinc/19/91/89/526199189.db2.gz MANGFIVDAWSZKI-AREMUKBSSA-N 0 0 441.487 3.813 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)n1CCc1ccccc1 ZINC000021232394 526211909 /nfs/dbraw/zinc/21/19/09/526211909.db2.gz DQLBNBNQUMWVBD-UHFFFAOYSA-N 0 0 439.533 3.791 50 0 IHAARN COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012752403 526222417 /nfs/dbraw/zinc/22/24/17/526222417.db2.gz WKSJTHXOJQXJSU-IYBDPMFKSA-N 0 0 433.526 3.590 50 0 IHAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2nc3n(c2n1)CCCCC3 ZINC000012822091 526225349 /nfs/dbraw/zinc/22/53/49/526225349.db2.gz MKSZUMKBBOZFMC-INIZCTEOSA-N 0 0 440.569 3.703 50 0 IHAARN Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000016956747 526229614 /nfs/dbraw/zinc/22/96/14/526229614.db2.gz CDLBIIGGLBOEMW-LJQANCHMSA-N 0 0 446.956 3.860 50 0 IHAARN COc1cccc(OCc2cc(C(=O)N(CCO)CC34CC5CC(CC(C5)C3)C4)no2)c1 ZINC000015076735 526236808 /nfs/dbraw/zinc/23/68/08/526236808.db2.gz BMVSQXOWYFCHPJ-UHFFFAOYSA-N 0 0 440.540 3.913 50 0 IHAARN Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)N3CCCCCC3)n2N)c1 ZINC000021605471 526249102 /nfs/dbraw/zinc/24/91/02/526249102.db2.gz MGWRMQQXWJLWLV-QGZVFWFLSA-N 0 0 431.606 3.886 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCNC(=O)c3ccco3)cc12 ZINC000012792510 526296957 /nfs/dbraw/zinc/29/69/57/526296957.db2.gz PKEZNVCNQOLRRD-UHFFFAOYSA-N 0 0 442.928 3.861 50 0 IHAARN Fc1cc(CSc2nnnn2C[C@H]2CCCO2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016411178 526300866 /nfs/dbraw/zinc/30/08/66/526300866.db2.gz PBYGPPFSJVVACV-UYAOXDASSA-N 0 0 428.489 3.891 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000012777876 526305663 /nfs/dbraw/zinc/30/56/63/526305663.db2.gz SJVNLAQGTVOZHO-CQSZACIVSA-N 0 0 446.479 3.507 50 0 IHAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000021538810 526306785 /nfs/dbraw/zinc/30/67/85/526306785.db2.gz AVYGXKZKMVVQKL-UHFFFAOYSA-N 0 0 447.608 3.766 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 ZINC000012533712 526308891 /nfs/dbraw/zinc/30/88/91/526308891.db2.gz PFRRUZKJEIPUOL-MGPUTAFESA-N 0 0 448.976 3.714 50 0 IHAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)Cc4ccsc4)CC3)c2)s1 ZINC000012715654 526317917 /nfs/dbraw/zinc/31/79/17/526317917.db2.gz MWIOBAPVPUFFLQ-UHFFFAOYSA-N 0 0 426.567 3.995 50 0 IHAARN O=C(CC1=CCCCC1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012297400 526337934 /nfs/dbraw/zinc/33/79/34/526337934.db2.gz PDOCUGXWKMNDBC-UHFFFAOYSA-N 0 0 436.512 3.918 50 0 IHAARN O=C(NCC[C@H]1CCCCO1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012836216 526386719 /nfs/dbraw/zinc/38/67/19/526386719.db2.gz VHPLRIWCSJYSTA-OAQYLSRUSA-N 0 0 434.584 3.924 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000012709648 526394834 /nfs/dbraw/zinc/39/48/34/526394834.db2.gz RQSMVYAYDKPMQR-UHFFFAOYSA-N 0 0 431.536 3.920 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012923493 526412993 /nfs/dbraw/zinc/41/29/93/526412993.db2.gz FRAJGPCEIQTQSO-HSZRJFAPSA-N 0 0 429.472 3.885 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012789052 526431469 /nfs/dbraw/zinc/43/14/69/526431469.db2.gz DMPIDAZCWYSIOX-YZOPDKEQSA-N 0 0 435.524 3.987 50 0 IHAARN O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000033571525 526434351 /nfs/dbraw/zinc/43/43/51/526434351.db2.gz ODNMCJONTPNJMU-UMDONVSZSA-N 0 0 429.428 3.923 50 0 IHAARN Cc1csc2nc(CSc3nnc(NC(=O)CCc4ccccc4)s3)cc(=O)n12 ZINC000020984313 526456494 /nfs/dbraw/zinc/45/64/94/526456494.db2.gz BBKMNOCSXAORTC-UHFFFAOYSA-N 0 0 443.579 3.780 50 0 IHAARN 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O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908077 527622186 /nfs/dbraw/zinc/62/21/86/527622186.db2.gz GDRDDNZGOADSNA-JOCHJYFZSA-N 0 0 437.609 3.970 50 0 IHAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020745513 527657336 /nfs/dbraw/zinc/65/73/36/527657336.db2.gz KTSPEILLNYPFJP-HXUWFJFHSA-N 0 0 428.330 3.874 50 0 IHAARN Cc1nn(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)c2ccccc12 ZINC000021303020 527702415 /nfs/dbraw/zinc/70/24/15/527702415.db2.gz MFRAHXFATITNJJ-UHFFFAOYSA-N 0 0 449.514 3.874 50 0 IHAARN CCCCC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1 ZINC000008855510 534954804 /nfs/dbraw/zinc/95/48/04/534954804.db2.gz JAPSLKCYGKQIAM-UHFFFAOYSA-N 0 0 433.549 3.774 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965048 535403767 /nfs/dbraw/zinc/40/37/67/535403767.db2.gz ZMXQLEAIZOLFIU-XLIONFOSSA-N 0 0 447.539 3.547 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)nnc1C1CC1 ZINC000013013301 535999290 /nfs/dbraw/zinc/99/92/90/535999290.db2.gz JATFBLCAXCRVHV-JTQLQIEISA-N 0 0 439.463 3.660 50 0 IHAARN CNC(=O)[C@H]1CN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)c2ccccc2O1 ZINC000009468976 536396696 /nfs/dbraw/zinc/39/66/96/536396696.db2.gz YZCLCIWZTNLFQA-XMMPIXPASA-N 0 0 425.488 3.849 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000008589051 536637357 /nfs/dbraw/zinc/63/73/57/536637357.db2.gz AHXBOEPQHZWWOE-UHFFFAOYSA-N 0 0 449.370 3.993 50 0 IHAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(C(=O)c2ccco2)CC1 ZINC000003063558 536970304 /nfs/dbraw/zinc/97/03/04/536970304.db2.gz VQRWBVAGEDOQFL-UHFFFAOYSA-N 0 0 431.496 3.577 50 0 IHAARN COc1ccccc1N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000002874364 537064488 /nfs/dbraw/zinc/06/44/88/537064488.db2.gz ISOSJYLEEWIGNE-UHFFFAOYSA-N 0 0 439.737 3.839 50 0 IHAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000000630833 555514790 /nfs/dbraw/zinc/51/47/90/555514790.db2.gz LOWVWPVZZYOTRR-VOMPUTFMSA-N 0 0 438.574 3.557 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000000630894 555514880 /nfs/dbraw/zinc/51/48/80/555514880.db2.gz WISCEJOBUFCTAT-UHFFFAOYSA-N 0 0 428.941 3.791 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000000647158 555521269 /nfs/dbraw/zinc/52/12/69/555521269.db2.gz XUVGWVCFQXCKRE-ZWKOTPCHSA-N 0 0 432.450 3.824 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000000656462 555525018 /nfs/dbraw/zinc/52/50/18/555525018.db2.gz VOMQAJUDJMMNDQ-UHFFFAOYSA-N 0 0 438.477 3.875 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(Cl)c2C)cc1 ZINC000000656320 555525113 /nfs/dbraw/zinc/52/51/13/555525113.db2.gz WTNYLFAGNXLXRA-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN O=C(Cc1ccccc1)OCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000658079 555525766 /nfs/dbraw/zinc/52/57/66/555525766.db2.gz VAFYDXBWCNHHKH-HDLCADABSA-N 0 0 437.495 3.665 50 0 IHAARN 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3.831 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000002417686 555777429 /nfs/dbraw/zinc/77/74/29/555777429.db2.gz GLAQHJRRSJUXCW-UHFFFAOYSA-N 0 0 426.567 3.607 50 0 IHAARN COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(C)c4)nc3C2)cc(OC)c1OC ZINC000002423710 555777619 /nfs/dbraw/zinc/77/76/19/555777619.db2.gz JWZOZGQCMZBHIJ-MRXNPFEDSA-N 0 0 447.491 3.976 50 0 IHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1ccncc1 ZINC000002488265 555783974 /nfs/dbraw/zinc/78/39/74/555783974.db2.gz LZEQLCFQKAWLOE-UHFFFAOYSA-N 0 0 441.896 3.548 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)nc1 ZINC000034667775 555792085 /nfs/dbraw/zinc/79/20/85/555792085.db2.gz YPBVDQYGZGUSDX-UHFFFAOYSA-N 0 0 430.508 3.613 50 0 IHAARN Cc1ccccc1-n1c2ncn(Cc3cccc(F)c3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034693354 555806582 /nfs/dbraw/zinc/80/65/82/555806582.db2.gz NMOHMNJREWNWMU-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)NCCCn2nc(C)c(Br)c2C)cc1 ZINC000002794752 555821891 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0 IHAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000002875572 555851967 /nfs/dbraw/zinc/85/19/67/555851967.db2.gz AQDNOJGXYVSOGB-NSHDSACASA-N 0 0 445.324 3.573 50 0 IHAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3N2)c1 ZINC000002875779 555852232 /nfs/dbraw/zinc/85/22/32/555852232.db2.gz ZOTOPTLUAUYXAV-WMZOPIPTSA-N 0 0 431.418 3.877 50 0 IHAARN Cc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002876133 555852235 /nfs/dbraw/zinc/85/22/35/555852235.db2.gz HTBBIZOIJXIMBV-UHFFFAOYSA-N 0 0 438.977 3.775 50 0 IHAARN Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000002876292 555852547 /nfs/dbraw/zinc/85/25/47/555852547.db2.gz SHOMDBMFDVZLNF-FQEVSTJZSA-N 0 0 428.598 3.939 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002883858 555856947 /nfs/dbraw/zinc/85/69/47/555856947.db2.gz JUYITCSZRPUCJB-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN COc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002948089 555865758 /nfs/dbraw/zinc/86/57/58/555865758.db2.gz XCQFWTOGWJAPEX-LJQANCHMSA-N 0 0 438.549 3.810 50 0 IHAARN COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1Br ZINC000002969234 555869086 /nfs/dbraw/zinc/86/90/86/555869086.db2.gz KKNOMSNSVGUIPR-UHFFFAOYSA-N 0 0 430.389 3.978 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl ZINC000002980814 555872121 /nfs/dbraw/zinc/87/21/21/555872121.db2.gz CUTHHYHDUDFUJA-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN Cc1c(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002982591 555872838 /nfs/dbraw/zinc/87/28/38/555872838.db2.gz GRAAFMHTGVSWHO-UHFFFAOYSA-N 0 0 448.874 3.951 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000002982640 555873147 /nfs/dbraw/zinc/87/31/47/555873147.db2.gz AVRQFXQRSUUQSG-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000002998356 555876954 /nfs/dbraw/zinc/87/69/54/555876954.db2.gz VYHPZABNOCOHJY-UHFFFAOYSA-N 0 0 447.329 3.957 50 0 IHAARN CCOC(=O)[C@](Nc1cccc(C)c1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000003103628 555887465 /nfs/dbraw/zinc/88/74/65/555887465.db2.gz DHZKYQSWQFQBLI-SFHVURJKSA-N 0 0 430.448 3.516 50 0 IHAARN CCSc1nnc(NC(=O)CSc2nnc3c4ccccc4n(CC)c3n2)s1 ZINC000003117213 555888488 /nfs/dbraw/zinc/88/84/88/555888488.db2.gz KXZSIXFURNFLIE-UHFFFAOYSA-N 0 0 431.572 3.694 50 0 IHAARN COCCNC(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(OC)cc1 ZINC000034785989 555896650 /nfs/dbraw/zinc/89/66/50/555896650.db2.gz BSFWOKVHZPXXSD-UHFFFAOYSA-N 0 0 449.433 3.917 50 0 IHAARN COc1cccc(CN2C(=O)CSc3nnc(COc4ccc(C(C)(C)C)cc4)n32)c1 ZINC000034810005 555908219 /nfs/dbraw/zinc/90/82/19/555908219.db2.gz JZTXSNDXGJLHNH-UHFFFAOYSA-N 0 0 438.553 3.934 50 0 IHAARN COc1ccccc1C(=O)N1CCN(Cc2noc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000034904809 555919275 /nfs/dbraw/zinc/91/92/75/555919275.db2.gz WZQKJMVSBRTANH-UHFFFAOYSA-N 0 0 446.429 3.722 50 0 IHAARN O=C(NC1CCC(NC(=O)c2ccco2)CC1)c1csc(COc2ccccc2F)n1 ZINC000034905928 555920367 /nfs/dbraw/zinc/92/03/67/555920367.db2.gz CABAGWFKHRQKMD-UHFFFAOYSA-N 0 0 443.500 3.925 50 0 IHAARN CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855762 555924271 /nfs/dbraw/zinc/92/42/71/555924271.db2.gz LGAQGASBHADERR-QMHKHESXSA-N 0 0 427.545 3.519 50 0 IHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000034899586 555928925 /nfs/dbraw/zinc/92/89/25/555928925.db2.gz BMFGZBOMGANOAD-DHIUTWEWSA-N 0 0 439.600 3.663 50 0 IHAARN CCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1 ZINC000034899689 555928980 /nfs/dbraw/zinc/92/89/80/555928980.db2.gz MRNXIIVNXPCLIF-FGZHOGPDSA-N 0 0 427.589 3.581 50 0 IHAARN COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000034913874 555930027 /nfs/dbraw/zinc/93/00/27/555930027.db2.gz LLIIRNMRYDHBER-SJCJKPOMSA-N 0 0 432.546 3.652 50 0 IHAARN CN(C)c1ccc(NS(C)(=O)=O)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000034921845 555932105 /nfs/dbraw/zinc/93/21/05/555932105.db2.gz CTUBFPRNXJHHHL-UHFFFAOYSA-N 0 0 433.555 3.621 50 0 IHAARN O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCCC1 ZINC000003642011 555943305 /nfs/dbraw/zinc/94/33/05/555943305.db2.gz UZUAQLJSQNIUQK-QNGOZBTKSA-N 0 0 444.560 3.916 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003958272 555951910 /nfs/dbraw/zinc/95/19/10/555951910.db2.gz DWBQWYOYMFYVRN-GAQQMNMRSA-N 0 0 426.513 3.538 50 0 IHAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 ZINC000004178298 555974133 /nfs/dbraw/zinc/97/41/33/555974133.db2.gz VTWDGQWUEHMBQQ-UHFFFAOYSA-N 0 0 441.480 3.653 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000004291151 555983501 /nfs/dbraw/zinc/98/35/01/555983501.db2.gz IIHZTCNFOLAISD-UHFFFAOYSA-N 0 0 434.558 3.867 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004590941 556003676 /nfs/dbraw/zinc/00/36/76/556003676.db2.gz RBUCWWSWITZUDG-ZNWBTVJYSA-N 0 0 425.525 3.629 50 0 IHAARN COc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 ZINC000004733124 556008925 /nfs/dbraw/zinc/00/89/25/556008925.db2.gz NWNVNPDMHWCRBP-XZOQPEGZSA-N 0 0 447.491 3.657 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000005060871 556030682 /nfs/dbraw/zinc/03/06/82/556030682.db2.gz HSNJRFVSYNZIQI-UHFFFAOYSA-N 0 0 428.598 3.787 50 0 IHAARN CC(C)(C)CC(C)(C)n1c(=S)[nH]nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006167979 556079332 /nfs/dbraw/zinc/07/93/32/556079332.db2.gz MLNXCIPTLYPFJB-UHFFFAOYSA-N 0 0 438.619 3.800 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc2c[nH]nc2c1 ZINC000006457462 556089225 /nfs/dbraw/zinc/08/92/25/556089225.db2.gz YOKWUEIWSQBTCH-UHFFFAOYSA-N 0 0 427.493 3.936 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000006481087 556091041 /nfs/dbraw/zinc/09/10/41/556091041.db2.gz HMJURTSAHKMSOC-OAQYLSRUSA-N 0 0 440.540 3.689 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(OC)cc1 ZINC000002446622 556100220 /nfs/dbraw/zinc/10/02/20/556100220.db2.gz FVICNCOSLFAVSW-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)cc1 ZINC000006843665 556106157 /nfs/dbraw/zinc/10/61/57/556106157.db2.gz JBKJXFWPHMJDJY-CQSZACIVSA-N 0 0 434.277 3.845 50 0 IHAARN COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000018600226 556118155 /nfs/dbraw/zinc/11/81/55/556118155.db2.gz RIZVZNZNZTYFNS-QHCPKHFHSA-N 0 0 442.899 3.779 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccco1 ZINC000002719992 556126528 /nfs/dbraw/zinc/12/65/28/556126528.db2.gz KPOOOOHJHXCDRW-UHFFFAOYSA-N 0 0 433.942 3.536 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccccc2OC)nc2c3ccccc3oc2c1=O ZINC000002713527 556129204 /nfs/dbraw/zinc/12/92/04/556129204.db2.gz PCLXRJGGGKXTNS-UHFFFAOYSA-N 0 0 439.493 3.529 50 0 IHAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000002713787 556129540 /nfs/dbraw/zinc/12/95/40/556129540.db2.gz FIQVNCICYJZLOD-UHFFFAOYSA-N 0 0 435.553 3.738 50 0 IHAARN COc1ccc(N2C(=S)N=NC2c2cnn3c2N[C@@H](C)C[C@H]3C(F)(F)F)c(OC)c1 ZINC000002790987 556139188 /nfs/dbraw/zinc/13/91/88/556139188.db2.gz SLCBIBJABJQOMM-XPTSAGLGSA-N 0 0 440.451 3.744 50 0 IHAARN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)N1CCOCC1 ZINC000002778296 556141103 /nfs/dbraw/zinc/14/11/03/556141103.db2.gz CDZUFSCWBCBYJE-UHFFFAOYSA-N 0 0 444.335 3.662 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)c(Cl)cc1Cl ZINC000002791624 556143957 /nfs/dbraw/zinc/14/39/57/556143957.db2.gz FVINWNFBOUMBRV-UHFFFAOYSA-N 0 0 431.341 3.886 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCC1N=NC(=S)N1c1cnn(Cc2ccc(C)cc2)c1 ZINC000002808582 556146697 /nfs/dbraw/zinc/14/66/97/556146697.db2.gz FZCWIRYEXURHQW-UHFFFAOYSA-N 0 0 447.490 3.876 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 ZINC000002937316 556150107 /nfs/dbraw/zinc/15/01/07/556150107.db2.gz WYNCAQMSTRPHTL-NRFANRHFSA-N 0 0 430.460 3.837 50 0 IHAARN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 ZINC000008383793 556159734 /nfs/dbraw/zinc/15/97/34/556159734.db2.gz KZYPVTMXUKTQFQ-PZJWPPBQSA-N 0 0 437.492 3.809 50 0 IHAARN COc1cc(Br)c(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1OC ZINC000008386727 556162190 /nfs/dbraw/zinc/16/21/90/556162190.db2.gz CBNZLLVULSOFHY-PXNMLYILSA-N 0 0 445.269 3.769 50 0 IHAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000008396389 556163575 /nfs/dbraw/zinc/16/35/75/556163575.db2.gz SPEZJZNDUGDVFQ-GMROUXNLSA-N 0 0 429.479 3.905 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)ccc1Cl ZINC000008400790 556166532 /nfs/dbraw/zinc/16/65/32/556166532.db2.gz YONXZRFCQHOXDK-OQLLNIDSSA-N 0 0 434.857 3.785 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000008425828 556168637 /nfs/dbraw/zinc/16/86/37/556168637.db2.gz GKIVQYRQZVDMQG-QFVBLGFASA-N 0 0 440.524 3.561 50 0 IHAARN C[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O ZINC000008443805 556178351 /nfs/dbraw/zinc/17/83/51/556178351.db2.gz HPIUKAZXFXVOSS-IINYFYTJSA-N 0 0 430.140 3.718 50 0 IHAARN CCc1ccc(OCc2cc(/C=C3/NC(=S)N(CCCOC)C3=O)ccc2OC)cc1 ZINC000008455636 556185549 /nfs/dbraw/zinc/18/55/49/556185549.db2.gz RDKXIUDBSPOCSE-RCCKNPSSSA-N 0 0 440.565 3.931 50 0 IHAARN CCOC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1ccc(C(C)=O)cc1)C(F)(F)F ZINC000008637086 556194986 /nfs/dbraw/zinc/19/49/86/556194986.db2.gz RDYYJFZMZMZLSY-FQEVSTJZSA-N 0 0 438.402 3.561 50 0 IHAARN COc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc(OC)c1 ZINC000008642095 556195419 /nfs/dbraw/zinc/19/54/19/556195419.db2.gz MCQZGNRSHJGRLZ-UHFFFAOYSA-N 0 0 445.566 3.622 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2cccs2)cc1 ZINC000008672245 556198547 /nfs/dbraw/zinc/19/85/47/556198547.db2.gz LRGVFCRZKXPVPQ-SFHVURJKSA-N 0 0 431.583 3.883 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)N3CCCCC3)c2C)cc1 ZINC000008754486 556210993 /nfs/dbraw/zinc/21/09/93/556210993.db2.gz ZVOSXCUPRIQWCO-UHFFFAOYSA-N 0 0 436.599 3.612 50 0 IHAARN COc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008766940 556212568 /nfs/dbraw/zinc/21/25/68/556212568.db2.gz MIOOETRIXCUKPF-IAGOWNOFSA-N 0 0 427.309 3.614 50 0 IHAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000008784454 556215335 /nfs/dbraw/zinc/21/53/35/556215335.db2.gz USNNPXADMXVXSD-OAHLLOKOSA-N 0 0 448.552 3.626 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008818891 556218437 /nfs/dbraw/zinc/21/84/37/556218437.db2.gz CFGHFDUJLFODEN-QLVBJWSOSA-N 0 0 444.556 3.772 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000009046686 556243090 /nfs/dbraw/zinc/24/30/90/556243090.db2.gz RCYXLCOTQGNMGQ-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 IHAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000009095583 556246734 /nfs/dbraw/zinc/24/67/34/556246734.db2.gz OPIPFWYPUMLYIA-UHFFFAOYSA-N 0 0 431.492 3.701 50 0 IHAARN CC[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000009147069 556249461 /nfs/dbraw/zinc/24/94/61/556249461.db2.gz TYCHZHWWAVBJNQ-INIZCTEOSA-N 0 0 437.554 3.999 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 ZINC000009191212 556253743 /nfs/dbraw/zinc/25/37/43/556253743.db2.gz STZIVDIYDQJLJP-CYBMUJFWSA-N 0 0 427.526 3.689 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000009201475 556257719 /nfs/dbraw/zinc/25/77/19/556257719.db2.gz HJDBUJZAZMPQSI-WKZKVMAPSA-N 0 0 429.472 3.655 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)cc1 ZINC000009225960 556260085 /nfs/dbraw/zinc/26/00/85/556260085.db2.gz MYUCWIFWHXECKU-UHFFFAOYSA-N 0 0 425.514 3.514 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c(OC)c1 ZINC000009226219 556260090 /nfs/dbraw/zinc/26/00/90/556260090.db2.gz BYFLPWJDAHJMHF-UHFFFAOYSA-N 0 0 427.530 3.744 50 0 IHAARN CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1 ZINC000009232074 556261310 /nfs/dbraw/zinc/26/13/10/556261310.db2.gz BQOCEFGANUTMQS-UHFFFAOYSA-N 0 0 436.581 3.566 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 ZINC000009233565 556262431 /nfs/dbraw/zinc/26/24/31/556262431.db2.gz PKQQAODCVDAOEV-HNNXBMFYSA-N 0 0 430.888 3.582 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000009238596 556264714 /nfs/dbraw/zinc/26/47/14/556264714.db2.gz XLOQVJDZDFNLSW-MSOLQXFVSA-N 0 0 429.933 3.955 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccccc3F)n2C)cc1 ZINC000009262775 556269832 /nfs/dbraw/zinc/26/98/32/556269832.db2.gz BORNGMBRPLHXCG-UHFFFAOYSA-N 0 0 441.532 3.819 50 0 IHAARN CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000013683448 556274607 /nfs/dbraw/zinc/27/46/07/556274607.db2.gz UMPVEOOKOJMKPZ-HXUWFJFHSA-N 0 0 432.524 3.536 50 0 IHAARN COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C ZINC000009303816 556276247 /nfs/dbraw/zinc/27/62/47/556276247.db2.gz YJZDNCJUWOYKDX-UHFFFAOYSA-N 0 0 433.559 3.515 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000009305630 556276826 /nfs/dbraw/zinc/27/68/26/556276826.db2.gz KOHOWIJLHXKVCE-HNNXBMFYSA-N 0 0 441.532 3.967 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)NCCc3c(C)[nH]c4ccc(F)cc43)CC2)cc1 ZINC000013691278 556280609 /nfs/dbraw/zinc/28/06/09/556280609.db2.gz UGAIMLVABMPEOE-UHFFFAOYSA-N 0 0 437.515 3.835 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N(CC)c4cccc(C)c4)ccn3n2)cc1 ZINC000009321221 556281053 /nfs/dbraw/zinc/28/10/53/556281053.db2.gz VCTJCMWCYFJPQO-UHFFFAOYSA-N 0 0 430.508 3.923 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2cccnc2)cc1 ZINC000013692348 556282006 /nfs/dbraw/zinc/28/20/06/556282006.db2.gz BAFFJZXBRJIBTF-UCQKPKSFSA-N 0 0 440.503 3.669 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(Br)c1 ZINC000013692583 556282319 /nfs/dbraw/zinc/28/23/19/556282319.db2.gz WIWWTPYZSUHVPS-UHFFFAOYSA-N 0 0 442.313 3.903 50 0 IHAARN CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009329311 556282647 /nfs/dbraw/zinc/28/26/47/556282647.db2.gz WZRCLBQANYADHU-OAHLLOKOSA-N 0 0 445.313 3.546 50 0 IHAARN CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)C1 ZINC000009329284 556282705 /nfs/dbraw/zinc/28/27/05/556282705.db2.gz YZQJFHNPNVPKFB-MRXNPFEDSA-N 0 0 443.931 3.545 50 0 IHAARN COc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000009348876 556284338 /nfs/dbraw/zinc/28/43/38/556284338.db2.gz XZUNIXIPHCZCHK-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN COc1ccc(-c2nc3ncc4c(ccn(CCc5c[nH]c6ccccc56)c4=O)n3n2)cc1 ZINC000013729623 556294425 /nfs/dbraw/zinc/29/44/25/556294425.db2.gz KOARUSBAQIIXDB-UHFFFAOYSA-N 0 0 436.475 3.839 50 0 IHAARN O=C(CCCOc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000009507018 556295711 /nfs/dbraw/zinc/29/57/11/556295711.db2.gz KESUPKSKPMBQMT-CYVLTUHYSA-N 0 0 428.485 3.837 50 0 IHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 ZINC000013739546 556298172 /nfs/dbraw/zinc/29/81/72/556298172.db2.gz VDJPVRRCEVSUJC-INOOMSPWSA-N 0 0 439.540 3.764 50 0 IHAARN CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)n2)cc1 ZINC000032739756 556300495 /nfs/dbraw/zinc/30/04/95/556300495.db2.gz CQZJESAPVUTOJN-UHFFFAOYSA-N 0 0 433.556 3.672 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000032741077 556302512 /nfs/dbraw/zinc/30/25/12/556302512.db2.gz SFWVWAHAANNIMA-LJQANCHMSA-N 0 0 428.554 3.981 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)Nc3nnc(C[C@@H](C)c4ccccc4)s3)CC2=O)c1 ZINC000009614752 556303963 /nfs/dbraw/zinc/30/39/63/556303963.db2.gz JWMIIUALQLFRAG-WBVHZDCISA-N 0 0 436.537 3.885 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)c1 ZINC000009614751 556304018 /nfs/dbraw/zinc/30/40/18/556304018.db2.gz JWMIIUALQLFRAG-RDJZCZTQSA-N 0 0 436.537 3.885 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)c1ccc(Br)s1 ZINC000032736025 556305979 /nfs/dbraw/zinc/30/59/79/556305979.db2.gz RGFAOWGSJKKTDK-UHFFFAOYSA-N 0 0 431.333 3.669 50 0 IHAARN Cc1ccccc1Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009861080 556314626 /nfs/dbraw/zinc/31/46/26/556314626.db2.gz OGDKWDAPJWZPNK-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 biogenic IHAARN COc1ccc(-c2nnc([C@H](C)OC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000032745137 556314805 /nfs/dbraw/zinc/31/48/05/556314805.db2.gz HTFNJUJVNZKBJF-HNNXBMFYSA-N 0 0 430.482 3.522 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933987 556317518 /nfs/dbraw/zinc/31/75/18/556317518.db2.gz CJOWKHNQQVQTSV-OAQYLSRUSA-N 0 0 437.496 3.812 50 0 IHAARN O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013845161 556318769 /nfs/dbraw/zinc/31/87/69/556318769.db2.gz XQIMPEQCQWKBQF-HIXSDJFHSA-N 0 0 432.545 3.760 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@@H]4C)CC3)CC2=O)cc1 ZINC000013844555 556318850 /nfs/dbraw/zinc/31/88/50/556318850.db2.gz AAPLBBOJDUSCMX-SIKLNZKXSA-N 0 0 445.563 3.564 50 0 IHAARN O=C(Nc1ccccc1)C1=C(Nc2ccc3c(c2)OCCO3)c2ccccc2S1(=O)=O ZINC000010011349 556322323 /nfs/dbraw/zinc/32/23/23/556322323.db2.gz ABUZJZJJUXXVPY-UHFFFAOYSA-N 0 0 434.473 3.665 50 0 IHAARN COC(=O)c1ccc(NC2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000010011226 556322413 /nfs/dbraw/zinc/32/24/13/556322413.db2.gz WTKKOCZTIWEICD-UHFFFAOYSA-N 0 0 434.473 3.680 50 0 IHAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000010076305 556324968 /nfs/dbraw/zinc/32/49/68/556324968.db2.gz FTZYCRBOIDBRDV-ZDUSSCGKSA-N 0 0 434.949 3.890 50 0 IHAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000013880507 556325909 /nfs/dbraw/zinc/32/59/09/556325909.db2.gz VPWHLYHUGPHZKX-UHFFFAOYSA-N 0 0 432.432 3.521 50 0 IHAARN C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 ZINC000010273469 556329077 /nfs/dbraw/zinc/32/90/77/556329077.db2.gz ACHCOPNAYPLAMK-MRXNPFEDSA-N 0 0 435.915 3.734 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 ZINC000010295591 556329688 /nfs/dbraw/zinc/32/96/88/556329688.db2.gz YBLPMQAZBRNFFZ-QGZVFWFLSA-N 0 0 442.266 3.846 50 0 IHAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032778006 556331154 /nfs/dbraw/zinc/33/11/54/556331154.db2.gz QZDQDGIWLJWEEK-PAQRCMFQSA-N 0 0 449.576 3.763 50 0 IHAARN COC(=O)C1CCN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c32)CC1 ZINC000013930229 556334211 /nfs/dbraw/zinc/33/42/11/556334211.db2.gz QGJMWCFEKBWIPV-UHFFFAOYSA-N 0 0 435.929 3.540 50 0 IHAARN CC(=O)Nc1cccc(-n2nnnc2SCCOc2cccc(Br)c2)c1 ZINC000032772323 556335211 /nfs/dbraw/zinc/33/52/11/556335211.db2.gz UOCLWRYEWZVWSC-UHFFFAOYSA-N 0 0 434.319 3.554 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c1 ZINC000013945747 556342710 /nfs/dbraw/zinc/34/27/10/556342710.db2.gz JXQBKTOSBJXXOR-UHFFFAOYSA-N 0 0 430.416 3.535 50 0 IHAARN CSc1cccc(NC(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000011661804 556343604 /nfs/dbraw/zinc/34/36/04/556343604.db2.gz DPODZPSAMVJYQA-OAHLLOKOSA-N 0 0 427.526 3.811 50 0 IHAARN Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1 ZINC000011667499 556346381 /nfs/dbraw/zinc/34/63/81/556346381.db2.gz DBWMJFMHSAXURR-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Fc1cccc(Cl)c1Cn1ccc(NC(=S)N2CCN(Cc3cccnc3)CC2)n1 ZINC000013960295 556347583 /nfs/dbraw/zinc/34/75/83/556347583.db2.gz PLMRFXWLPWTZLL-UHFFFAOYSA-N 0 0 444.967 3.634 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000032784225 556349567 /nfs/dbraw/zinc/34/95/67/556349567.db2.gz ZGCGIEUGHVYKBJ-OAQYLSRUSA-N 0 0 444.531 3.822 50 0 IHAARN COc1ccc(CN(C)C(=O)CC[C@]2(Cc3ccsc3)CCC(=O)N2)c2cccnc12 ZINC000011782406 556351058 /nfs/dbraw/zinc/35/10/58/556351058.db2.gz ZRYXIJXARBWPDD-DEOSSOPVSA-N 0 0 437.565 3.935 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC3)n1 ZINC000011786871 556353727 /nfs/dbraw/zinc/35/37/27/556353727.db2.gz BYEXBPYTMBDDQJ-UWJYYQICSA-N 0 0 441.959 3.756 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000014008865 556353842 /nfs/dbraw/zinc/35/38/42/556353842.db2.gz FNWZDVSIJFWRKC-UHFFFAOYSA-N 0 0 438.524 3.786 50 0 IHAARN CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000014009779 556354460 /nfs/dbraw/zinc/35/44/60/556354460.db2.gz HXLXRGMAXXZHEJ-LICLKQGHSA-N 0 0 443.887 3.587 50 0 IHAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000011790855 556355702 /nfs/dbraw/zinc/35/57/02/556355702.db2.gz YBCHTUJNBAQMKE-CQSZACIVSA-N 0 0 449.536 3.773 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000014017347 556355985 /nfs/dbraw/zinc/35/59/85/556355985.db2.gz RYPGOTMNWQEOTJ-UHFFFAOYSA-N 0 0 442.610 3.664 50 0 IHAARN CN(C[C@@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011813583 556356906 /nfs/dbraw/zinc/35/69/06/556356906.db2.gz PFAAEQZZUGVWGH-UUOWRZLLSA-N 0 0 446.975 3.697 50 0 IHAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000011814234 556357619 /nfs/dbraw/zinc/35/76/19/556357619.db2.gz GSNDYBKUBUXFRT-KRWDZBQOSA-N 0 0 425.916 3.913 50 0 IHAARN COc1ccc(Br)cc1CN(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014069986 556360359 /nfs/dbraw/zinc/36/03/59/556360359.db2.gz MAWXVCLCGNYBTB-UHFFFAOYSA-N 0 0 425.754 3.902 50 0 IHAARN Cc1ccccc1[C@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O ZINC000032796547 556361737 /nfs/dbraw/zinc/36/17/37/556361737.db2.gz ZNLZBSVYJOBKSL-PMACEKPBSA-N 0 0 445.947 3.947 50 0 IHAARN Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000032797222 556363570 /nfs/dbraw/zinc/36/35/70/556363570.db2.gz KGENYLWKXOIYMS-OAHLLOKOSA-N 0 0 435.977 3.679 50 0 IHAARN COc1cc(CCC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1 ZINC000014100976 556367913 /nfs/dbraw/zinc/36/79/13/556367913.db2.gz FTONMHQKIXVQQK-UHFFFAOYSA-N 0 0 446.569 3.696 50 0 IHAARN CSCC[C@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000032808616 556369070 /nfs/dbraw/zinc/36/90/70/556369070.db2.gz IYFQDVNDMFWUTK-OFQRWUPVSA-N 0 0 432.567 3.636 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000014121392 556372225 /nfs/dbraw/zinc/37/22/25/556372225.db2.gz IKIGBUSYGJYBBH-JOCHJYFZSA-N 0 0 443.975 3.955 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000014125775 556373592 /nfs/dbraw/zinc/37/35/92/556373592.db2.gz OWJJMNAEYDAQML-UHFFFAOYSA-N 0 0 427.302 3.654 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCOCC2)cc1 ZINC000014141776 556376776 /nfs/dbraw/zinc/37/67/76/556376776.db2.gz FDHCTGXRVOSCRU-RUZDIDTESA-N 0 0 446.551 3.562 50 0 IHAARN CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Br)ccc1C ZINC000014165965 556379334 /nfs/dbraw/zinc/37/93/34/556379334.db2.gz PUNDDJOSNSFWKL-UHFFFAOYSA-N 0 0 428.348 3.986 50 0 IHAARN CCn1c(SCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccco1 ZINC000014168034 556380547 /nfs/dbraw/zinc/38/05/47/556380547.db2.gz KIUJYLPNCYZYBG-UHFFFAOYSA-N 0 0 448.932 3.781 50 0 IHAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014168973 556380975 /nfs/dbraw/zinc/38/09/75/556380975.db2.gz TXMOCISVUQBHGE-UHFFFAOYSA-N 0 0 425.844 3.833 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)cc1OC ZINC000012025802 556387693 /nfs/dbraw/zinc/38/76/93/556387693.db2.gz DCAOTVXELNSXQD-HXUWFJFHSA-N 0 0 433.508 3.684 50 0 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O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032843277 556428393 /nfs/dbraw/zinc/42/83/93/556428393.db2.gz XMSNOZBJEWQKIQ-IMFGXOCKSA-N 0 0 444.626 3.728 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2I)c(C)c1 ZINC000012991868 556428749 /nfs/dbraw/zinc/42/87/49/556428749.db2.gz MJGJLBPTJOMYCP-UHFFFAOYSA-N 0 0 436.293 3.927 50 0 IHAARN CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 ZINC000012993357 556429248 /nfs/dbraw/zinc/42/92/48/556429248.db2.gz HEKAEOVPMOQJIR-UHFFFAOYSA-N 0 0 442.610 3.699 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O ZINC000012993567 556429417 /nfs/dbraw/zinc/42/94/17/556429417.db2.gz ZLCHLAISLNJNQV-GFCCVEGCSA-N 0 0 427.353 3.976 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012995614 556430727 /nfs/dbraw/zinc/43/07/27/556430727.db2.gz KNFJBVBKVNJFMY-GOSISDBHSA-N 0 0 431.945 3.802 50 0 IHAARN COc1ccc2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)c(C)nc2c1 ZINC000012997929 556432175 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556449750 /nfs/dbraw/zinc/44/97/50/556449750.db2.gz PPJZYEKNSOEBGD-UHFFFAOYSA-N 0 0 440.569 3.628 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3sc4ccccc4c3=O)CC2)cc1 ZINC000013062055 556450787 /nfs/dbraw/zinc/45/07/87/556450787.db2.gz SOXYHUOQRALONF-KRWDZBQOSA-N 0 0 445.610 3.541 50 0 IHAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000014863483 556451352 /nfs/dbraw/zinc/45/13/52/556451352.db2.gz UKXMLFAGTYYCNT-UHFFFAOYSA-N 0 0 447.535 3.542 50 0 IHAARN O=C(c1ccccc1)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014878694 556452492 /nfs/dbraw/zinc/45/24/92/556452492.db2.gz UVYBHHVIIPASBI-CZNRWDAFSA-N 0 0 443.591 3.787 50 0 IHAARN C[C@]1(C2CCN(Cc3cccc(F)c3F)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000014879687 556452793 /nfs/dbraw/zinc/45/27/93/556452793.db2.gz NBXCJOUDHJPYCS-RUZDIDTESA-N 0 0 439.506 3.655 50 0 IHAARN Cc1csc2nc(CNc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)cc(=O)n12 ZINC000013070600 556453243 /nfs/dbraw/zinc/45/32/43/556453243.db2.gz FZVQHVGAVLJESW-UHFFFAOYSA-N 0 0 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ZINC000028729152 556459824 /nfs/dbraw/zinc/45/98/24/556459824.db2.gz BEFZUSXOEBDSIV-HNNXBMFYSA-N 0 0 425.510 3.780 50 0 IHAARN O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)N1CCc2ccccc21 ZINC000032871191 556459873 /nfs/dbraw/zinc/45/98/73/556459873.db2.gz ZXVMCNRZMPQKTE-UHFFFAOYSA-N 0 0 445.610 3.718 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O ZINC000013102065 556460713 /nfs/dbraw/zinc/46/07/13/556460713.db2.gz DAMMLSAOMKIECX-XCLFUZPHSA-N 0 0 437.334 3.629 50 0 IHAARN CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)s1 ZINC000013101918 556460782 /nfs/dbraw/zinc/46/07/82/556460782.db2.gz FSRYUVCECKWRTQ-UHFFFAOYSA-N 0 0 446.554 3.577 50 0 IHAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000072278443 556461063 /nfs/dbraw/zinc/46/10/63/556461063.db2.gz LOSJTVALDIYUQC-UHFFFAOYSA-N 0 0 440.463 3.848 50 0 IHAARN CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000013102737 556461401 /nfs/dbraw/zinc/46/14/01/556461401.db2.gz GFQIGNBJDPSVCZ-SFHVURJKSA-N 0 0 426.460 3.677 50 0 IHAARN CCCC[C@H]1CN(CCNC(=O)c2ccc(OC)c(OC)c2OC)Cc2ccccc2O1 ZINC000014958598 556463521 /nfs/dbraw/zinc/46/35/21/556463521.db2.gz XRHODQOGWOJNBI-IBGZPJMESA-N 0 0 442.556 3.896 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)CC1 ZINC000029072343 556466685 /nfs/dbraw/zinc/46/66/85/556466685.db2.gz GYGGUVVVWCRJFN-LJQANCHMSA-N 0 0 437.931 3.599 50 0 IHAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000029148195 556468575 /nfs/dbraw/zinc/46/85/75/556468575.db2.gz WPWZRFQHXVGFQT-CYBMUJFWSA-N 0 0 440.853 3.873 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000029190487 556469651 /nfs/dbraw/zinc/46/96/51/556469651.db2.gz YSDNRLQVSWWPFQ-QGZVFWFLSA-N 0 0 431.540 3.685 50 0 IHAARN Cc1ccn2c(=O)cc(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)nc2c1 ZINC000011042839 556469931 /nfs/dbraw/zinc/46/99/31/556469931.db2.gz KOKPJPIGTGZRAZ-UHFFFAOYSA-N 0 0 443.463 3.946 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000013117552 556470166 /nfs/dbraw/zinc/47/01/66/556470166.db2.gz TVJZKWKBGRGURU-UHFFFAOYSA-N 0 0 435.524 3.633 50 0 IHAARN CCCn1c(=O)[nH]nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000013117805 556470796 /nfs/dbraw/zinc/47/07/96/556470796.db2.gz XKTUBMYIAYJLTP-CYBMUJFWSA-N 0 0 433.584 3.574 50 0 IHAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000029286929 556471563 /nfs/dbraw/zinc/47/15/63/556471563.db2.gz DQPHMKNLFUBHOR-UHFFFAOYSA-N 0 0 438.487 3.760 50 0 IHAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CC(Cc4ccc5c(c4)OCO5)=NO3)c2)n1 ZINC000014986505 556472561 /nfs/dbraw/zinc/47/25/61/556472561.db2.gz MGRMYYLINJOPRW-DEOSSOPVSA-N 0 0 446.507 3.564 50 0 IHAARN O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3nccnc3c2)C1 ZINC000014987092 556472903 /nfs/dbraw/zinc/47/29/03/556472903.db2.gz DYDAVTPKSDKLSJ-YKSBVNFPSA-N 0 0 444.535 3.552 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCc1cn(C)nc1C)CC2 ZINC000072285391 556476900 /nfs/dbraw/zinc/47/69/00/556476900.db2.gz AFBULGBWWDQPOL-QHCPKHFHSA-N 0 0 425.554 3.914 50 0 IHAARN O=C(c1cccs1)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014994374 556476979 /nfs/dbraw/zinc/47/69/79/556476979.db2.gz ZFVSXRFXLGWUBW-OIHWHRODSA-N 0 0 449.620 3.848 50 0 IHAARN Cn1ncc2c1nc(CCC(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[nH]c2=O ZINC000029573281 556478016 /nfs/dbraw/zinc/47/80/16/556478016.db2.gz IRMLQNJHAQWUEY-UHFFFAOYSA-N 0 0 436.541 3.649 50 0 IHAARN Cc1nn(C)c(C)c1CCC(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000014998996 556478986 /nfs/dbraw/zinc/47/89/86/556478986.db2.gz NMQULLDZOGPWRM-QHCPKHFHSA-N 0 0 438.597 3.783 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)cc2s1 ZINC000029648926 556479528 /nfs/dbraw/zinc/47/95/28/556479528.db2.gz LDINLSAUXZVZOT-RDJZCZTQSA-N 0 0 447.582 3.939 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000029775056 556482131 /nfs/dbraw/zinc/48/21/31/556482131.db2.gz XTOUITLTSFDZEH-UHFFFAOYSA-N 0 0 428.579 3.837 50 0 IHAARN O=C(Cc1cccs1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000064761600 556484041 /nfs/dbraw/zinc/48/40/41/556484041.db2.gz IZHVEBBVETUOJY-UHFFFAOYSA-N 0 0 436.581 3.971 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000029940070 556487040 /nfs/dbraw/zinc/48/70/40/556487040.db2.gz HGBAYCHLWDHBJE-JTQLQIEISA-N 0 0 448.285 3.944 50 0 IHAARN COCCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(F)cc2)o1 ZINC000013145547 556487794 /nfs/dbraw/zinc/48/77/94/556487794.db2.gz ARNSTIANPSEKTR-UHFFFAOYSA-N 0 0 425.489 3.997 50 0 IHAARN CCOc1ccc(NC(=O)Cc2sc(CC(=O)Nc3ccc(C)cc3)nc2O)cc1 ZINC000013146123 556488135 /nfs/dbraw/zinc/48/81/35/556488135.db2.gz WQRFDDOXVORDCN-SFHVURJKSA-N 0 0 425.510 3.792 50 0 IHAARN O=C1N[C@H](c2cccc(Br)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013149148 556490783 /nfs/dbraw/zinc/49/07/83/556490783.db2.gz QFHWXDRJPSSTMX-CPUCHLNUSA-N 0 0 443.219 3.553 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1 ZINC000013149448 556491023 /nfs/dbraw/zinc/49/10/23/556491023.db2.gz PFJSDKKEMXYROU-UHFFFAOYSA-N 0 0 434.448 3.752 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2nc(N)n[nH]2)cc1 ZINC000013153444 556493038 /nfs/dbraw/zinc/49/30/38/556493038.db2.gz HOYFLSGPNXEBOT-RBUKOAKNSA-N 0 0 437.550 3.715 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000013165182 556498049 /nfs/dbraw/zinc/49/80/49/556498049.db2.gz CKFNCTQNTBZRJH-GUYCJALGSA-N 0 0 443.569 3.517 50 0 IHAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)Nc1ncccn1 ZINC000032879769 556505494 /nfs/dbraw/zinc/50/54/94/556505494.db2.gz HQZYKNYZQCUCKV-HUUCEWRRSA-N 0 0 449.540 3.515 50 0 IHAARN CC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1Cl ZINC000059806330 556506149 /nfs/dbraw/zinc/50/61/49/556506149.db2.gz JNLJKTQMMYGCHR-HNNXBMFYSA-N 0 0 442.947 3.902 50 0 IHAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032881415 556508087 /nfs/dbraw/zinc/50/80/87/556508087.db2.gz SUYIJUGVQBZDRU-UHFFFAOYSA-N 0 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O=C(NCCCOC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032895958 556515848 /nfs/dbraw/zinc/51/58/48/556515848.db2.gz NGRUIEYCOUDHKN-KRWDZBQOSA-N 0 0 443.009 3.596 50 0 IHAARN Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(I)c3)CC2=O)cc1 ZINC000015305052 556517519 /nfs/dbraw/zinc/51/75/19/556517519.db2.gz DHZKSZJQRUTSJQ-OAHLLOKOSA-N 0 0 434.277 3.587 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 ZINC000032899064 556518198 /nfs/dbraw/zinc/51/81/98/556518198.db2.gz ABWUZMVJYSZTQV-KRWDZBQOSA-N 0 0 425.554 3.672 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1N1CCCC1 ZINC000030956821 556518382 /nfs/dbraw/zinc/51/83/82/556518382.db2.gz GCRPSYVQTFSHBH-KRWDZBQOSA-N 0 0 433.599 3.696 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000032719051 556520947 /nfs/dbraw/zinc/52/09/47/556520947.db2.gz VWQDSVLTVZJMMP-CYBMUJFWSA-N 0 0 445.472 3.528 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000032094811 556528417 /nfs/dbraw/zinc/52/84/17/556528417.db2.gz ZEVXFWFSLXSRGJ-SNVBAGLBSA-N 0 0 442.804 3.791 50 0 IHAARN CC(C)COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013598905 556532680 /nfs/dbraw/zinc/53/26/80/556532680.db2.gz PCHLMRSRHSVUTR-UGTOYMOASA-N 0 0 438.948 3.778 50 0 IHAARN Cc1c2ccccc2oc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000015575555 556535573 /nfs/dbraw/zinc/53/55/73/556535573.db2.gz GRWHIJNKJDSMKG-UHFFFAOYSA-N 0 0 448.910 3.903 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C ZINC000015570621 556535641 /nfs/dbraw/zinc/53/56/41/556535641.db2.gz MLQILJURYKIRMW-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN CCOc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)cc1OC ZINC000004574559 556540160 /nfs/dbraw/zinc/54/01/60/556540160.db2.gz JYUOQGLUKGPCCU-LJQANCHMSA-N 0 0 439.903 3.780 50 0 IHAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000032902869 556540905 /nfs/dbraw/zinc/54/09/05/556540905.db2.gz DJSZGLZEXIKCRE-UHFFFAOYSA-N 0 0 444.582 3.715 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1[C@@H](C)NC(=O)c1ccco1 ZINC000032579617 556541881 /nfs/dbraw/zinc/54/18/81/556541881.db2.gz PTFUSNDKVYYQDL-CYBMUJFWSA-N 0 0 431.493 3.560 50 0 IHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCCn1ccnc1)C3=O ZINC000015671140 556542266 /nfs/dbraw/zinc/54/22/66/556542266.db2.gz XCRHYYBLZPXKEA-JOCHJYFZSA-N 0 0 429.476 3.947 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015704690 556544419 /nfs/dbraw/zinc/54/44/19/556544419.db2.gz WRDCGMBQHOKEBU-UHFFFAOYSA-N 0 0 441.553 3.770 50 0 IHAARN O=C(NC1CCCC1)C1(N(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000004434649 556544708 /nfs/dbraw/zinc/54/47/08/556544708.db2.gz QDDGRKZOJVDKNF-HXUWFJFHSA-N 0 0 442.556 3.798 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1nc3ccc(C)cc3s1)C[C@@H](C)S2 ZINC000004436688 556546746 /nfs/dbraw/zinc/54/67/46/556546746.db2.gz CIRBSGKDXMXVRN-LLVKDONJSA-N 0 0 432.596 3.949 50 0 aggregator IHAARN Cc1cc(Br)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000015764681 556548878 /nfs/dbraw/zinc/54/88/78/556548878.db2.gz ZTXCIRLZMUJNGB-UHFFFAOYSA-N 0 0 428.286 3.646 50 0 IHAARN O=C(CCn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCc1cccc(Cl)c1 ZINC000032933606 556549608 /nfs/dbraw/zinc/54/96/08/556549608.db2.gz FZHVYEFCRHWPEB-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1cc(OC)c(OC)cc1OC)C2 ZINC000015778849 556550847 /nfs/dbraw/zinc/55/08/47/556550847.db2.gz FAPYDBPVWBASQO-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccc(OC)cc3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000015779994 556551491 /nfs/dbraw/zinc/55/14/91/556551491.db2.gz PFHXLHVOZFWIDD-UHFFFAOYSA-N 0 0 445.523 3.799 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)cc1OC ZINC000032960073 556556029 /nfs/dbraw/zinc/55/60/29/556556029.db2.gz BJMNLZLUFBCLQU-GOSISDBHSA-N 0 0 438.528 3.780 50 0 IHAARN CCCn1nc(SCC(=O)OCC)n2c1nc1c(c2=O)[C@](C)(CC)Cc2ccccc2-1 ZINC000015839351 556556278 /nfs/dbraw/zinc/55/62/78/556556278.db2.gz COSBRQMMDHPKTL-HSZRJFAPSA-N 0 0 440.569 3.847 50 0 IHAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000013681044 556556867 /nfs/dbraw/zinc/55/68/67/556556867.db2.gz GTZJSVYDWGHYMA-IYBDPMFKSA-N 0 0 437.492 3.792 50 0 biogenic IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033274729 556559164 /nfs/dbraw/zinc/55/91/64/556559164.db2.gz KNDUFHIYHRCKJG-UHFFFAOYSA-N 0 0 430.570 3.597 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccccc2Sc2nc(Br)nn2C)c1 ZINC000015869054 556559677 /nfs/dbraw/zinc/55/96/77/556559677.db2.gz UFCBQSOVECOASF-UHFFFAOYSA-N 0 0 449.330 3.998 50 0 IHAARN O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccc(F)cc1F ZINC000015881918 556560624 /nfs/dbraw/zinc/56/06/24/556560624.db2.gz QQLIHWLBGSDAKU-UHFFFAOYSA-N 0 0 425.464 3.991 50 0 IHAARN O=C(NCC[S@](=O)Cc1ccccc1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306974 556560845 /nfs/dbraw/zinc/56/08/45/556560845.db2.gz GCWZZKRFZXRRFB-CCLHPLFOSA-N 0 0 449.414 3.651 50 0 IHAARN COc1ccc(-n2c(C)nnc2SCC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cc1 ZINC000072308046 556563700 /nfs/dbraw/zinc/56/37/00/556563700.db2.gz SVXSAFOLWQWTAE-UHFFFAOYSA-N 0 0 448.589 3.693 50 0 IHAARN CC(C)Cn1c(SCc2noc(-c3ccccc3Cl)n2)nnc1N1CCOCC1 ZINC000032908883 556566352 /nfs/dbraw/zinc/56/63/52/556566352.db2.gz WDMJHJNLXMJOCK-UHFFFAOYSA-N 0 0 434.953 3.766 50 0 IHAARN O=C(Cc1ccccc1)N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000015724559 556572528 /nfs/dbraw/zinc/57/25/28/556572528.db2.gz ZQRGEFJYOCQYBW-XMMPIXPASA-N 0 0 444.531 3.554 50 0 IHAARN COc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001177275 556574223 /nfs/dbraw/zinc/57/42/23/556574223.db2.gz CJIXBWWWARSVTD-UHFFFAOYSA-N 0 0 441.505 3.813 50 0 IHAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c(OC)c1 ZINC000016021712 556574973 /nfs/dbraw/zinc/57/49/73/556574973.db2.gz JHRHMQMLZZDALR-AUSIDOKSSA-N 0 0 434.473 3.846 50 0 IHAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccccc1 ZINC000016024150 556575932 /nfs/dbraw/zinc/57/59/32/556575932.db2.gz JNFFSAUOOSKJIN-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN CC(=O)Nc1nc(C(=O)O[C@@H]2CCC[C@@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000072310689 556576475 /nfs/dbraw/zinc/57/64/75/556576475.db2.gz GZCGLYCFLQKVTK-RBUKOAKNSA-N 0 0 448.976 3.655 50 0 IHAARN O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000032962143 556581194 /nfs/dbraw/zinc/58/11/94/556581194.db2.gz UUAIUGLUWQTSGA-UHFFFAOYSA-N 0 0 443.569 3.640 50 0 IHAARN CC(=O)c1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000016051008 556581220 /nfs/dbraw/zinc/58/12/20/556581220.db2.gz GZWHCRLHDDDFSG-UHFFFAOYSA-N 0 0 446.459 3.565 50 0 IHAARN COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc(OC)c1Br ZINC000016065175 556581726 /nfs/dbraw/zinc/58/17/26/556581726.db2.gz MFUIVAVXZLIFFM-UHFFFAOYSA-N 0 0 435.318 3.794 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000016088197 556582218 /nfs/dbraw/zinc/58/22/18/556582218.db2.gz OMPFHMWZRHPMEL-HNNXBMFYSA-N 0 0 445.566 3.832 50 0 IHAARN Cc1cc(NC(=O)[C@H](OC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)no1 ZINC000016129158 556584783 /nfs/dbraw/zinc/58/47/83/556584783.db2.gz HXHZGLXJNBHWDR-GOSISDBHSA-N 0 0 428.828 3.944 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1Cl ZINC000034890498 556586133 /nfs/dbraw/zinc/58/61/33/556586133.db2.gz NJCLGMNCDPPQQL-HACGYAERSA-N 0 0 435.981 3.972 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC(F)F)cc1 ZINC000032967192 556587436 /nfs/dbraw/zinc/58/74/36/556587436.db2.gz CSVODPAWXGOVGB-QGZVFWFLSA-N 0 0 435.423 3.608 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 ZINC000032913301 556592422 /nfs/dbraw/zinc/59/24/22/556592422.db2.gz VARDXZIPDLKIBZ-HNAYVOBHSA-N 0 0 445.354 3.639 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl ZINC000032913719 556594579 /nfs/dbraw/zinc/59/45/79/556594579.db2.gz NGCIYIZNTYPTLE-NEPJUHHUSA-N 0 0 441.290 3.709 50 0 IHAARN Cc1cc(C)cc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000016269047 556596202 /nfs/dbraw/zinc/59/62/02/556596202.db2.gz GVDAZMCRUQESKY-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN Cc1ccc(-c2nc(-c3ccc(C(N)=O)cc3)ncc2-c2nnnn2-c2ccccc2)cc1 ZINC000016311054 556599595 /nfs/dbraw/zinc/59/95/95/556599595.db2.gz TZORENFIRUKTHZ-UHFFFAOYSA-N 0 0 433.475 3.861 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1F ZINC000032975667 556600386 /nfs/dbraw/zinc/60/03/86/556600386.db2.gz YZKLHHYFAPKJPA-RTBURBONSA-N 0 0 444.528 3.919 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000016329794 556600791 /nfs/dbraw/zinc/60/07/91/556600791.db2.gz SMWTZYCEQJNHRK-QGZVFWFLSA-N 0 0 427.497 3.972 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000032980126 556601445 /nfs/dbraw/zinc/60/14/45/556601445.db2.gz RZFATTRVUYHUML-JOCHJYFZSA-N 0 0 432.476 3.949 50 0 IHAARN CCn1cc(-c2nc(-c3cccs3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000032984890 556604818 /nfs/dbraw/zinc/60/48/18/556604818.db2.gz RHLFCZQCWOXKCF-UHFFFAOYSA-N 0 0 426.473 3.776 50 0 IHAARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)sc1-c1ccccc1 ZINC000016400646 556605779 /nfs/dbraw/zinc/60/57/79/556605779.db2.gz FMQYVQWSWRIXFB-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN CCn1c2ccc(NC(=O)c3ccccc3I)cc2n(CC)c1=O ZINC000016425145 556606340 /nfs/dbraw/zinc/60/63/40/556606340.db2.gz UERDSUKROWCPNI-UHFFFAOYSA-N 0 0 435.265 3.700 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000032987431 556607681 /nfs/dbraw/zinc/60/76/81/556607681.db2.gz CDCPSVHWHNORLJ-UHFFFAOYSA-N 0 0 444.944 3.628 50 0 IHAARN O=C(Oc1ccc(F)cc1Br)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032994665 556609466 /nfs/dbraw/zinc/60/94/66/556609466.db2.gz FRPOKROGXDOHOM-UHFFFAOYSA-N 0 0 442.306 3.982 50 0 IHAARN O=C(Cc1csc(Cc2ccccn2)n1)Nc1ccccc1I ZINC000032915726 556613017 /nfs/dbraw/zinc/61/30/17/556613017.db2.gz ZTEJZNHWWWRIHD-UHFFFAOYSA-N 0 0 435.290 3.915 50 0 IHAARN CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000016625546 556618645 /nfs/dbraw/zinc/61/86/45/556618645.db2.gz BTLHBKVQSUFICY-UHFFFAOYSA-N 0 0 434.583 3.805 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000011705936 556623500 /nfs/dbraw/zinc/62/35/00/556623500.db2.gz RCCURRWWWZIBBB-UHFFFAOYSA-N 0 0 443.521 3.976 50 0 IHAARN CS(=O)(=O)Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000011707253 556629309 /nfs/dbraw/zinc/62/93/09/556629309.db2.gz WJNRJMBQPALURQ-UHFFFAOYSA-N 0 0 446.532 3.841 50 0 IHAARN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc(-c5cccs5)nn4c3=O)o2)cc1 ZINC000016733836 556632404 /nfs/dbraw/zinc/63/24/04/556632404.db2.gz XDVYZLOYIDITAN-LDADJPATSA-N 0 0 449.513 3.864 50 0 IHAARN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397515 556639688 /nfs/dbraw/zinc/63/96/88/556639688.db2.gz BOBSLBUNYSAEPE-UHFFFAOYSA-N 0 0 444.882 3.706 50 0 IHAARN Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)c(C)o1 ZINC000032921787 556642200 /nfs/dbraw/zinc/64/22/00/556642200.db2.gz UFFVEGOFETYGPZ-UHFFFAOYSA-N 0 0 441.528 3.771 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 ZINC000032921855 556642720 /nfs/dbraw/zinc/64/27/20/556642720.db2.gz UKGYNUDGMPNOTG-UHFFFAOYSA-N 0 0 440.471 3.777 50 0 IHAARN FC(F)(F)[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000016838026 556645433 /nfs/dbraw/zinc/64/54/33/556645433.db2.gz VWVVRDMKFMVZNE-QGZVFWFLSA-N 0 0 441.523 3.531 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(O)n2)cc1 ZINC000016840128 556645497 /nfs/dbraw/zinc/64/54/97/556645497.db2.gz LJXSAMCWHCWLQF-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc12 ZINC000032921953 556646607 /nfs/dbraw/zinc/64/66/07/556646607.db2.gz FRPBKWDGVJNAIO-FQEVSTJZSA-N 0 0 434.931 3.810 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602818 556646706 /nfs/dbraw/zinc/64/67/06/556646706.db2.gz ZGKQKQMIWCQJSY-BKMJKUGQSA-N 0 0 436.552 3.553 50 0 IHAARN COc1cc(/C=C\C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc(OC)c1OC ZINC000011726468 556646827 /nfs/dbraw/zinc/64/68/27/556646827.db2.gz QVOQKBKJJUACDO-HJWRWDBZSA-N 0 0 436.508 3.543 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Br)cc1)C[C@H](C)S2 ZINC000011726497 556647151 /nfs/dbraw/zinc/64/71/51/556647151.db2.gz OPFBADBTJZLSSE-JTQLQIEISA-N 0 0 440.388 3.793 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1)C[C@@H](C)S2 ZINC000011726498 556647154 /nfs/dbraw/zinc/64/71/54/556647154.db2.gz JBDWVQRHGHGPKV-SNVBAGLBSA-N 0 0 445.488 3.929 50 0 IHAARN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(c1=O)S[C@@H](C)C2 ZINC000011726547 556647458 /nfs/dbraw/zinc/64/74/58/556647458.db2.gz AOERWNGFAGFPGO-HNNXBMFYSA-N 0 0 433.599 3.582 50 0 IHAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1c1ccccc1 ZINC000016902950 556648765 /nfs/dbraw/zinc/64/87/65/556648765.db2.gz RDJRWEXZNAMDGE-TZIWHRDSSA-N 0 0 427.504 3.997 50 0 IHAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 ZINC000016953752 556650189 /nfs/dbraw/zinc/65/01/89/556650189.db2.gz ZBXARJPIJBWWAP-UHFFFAOYSA-N 0 0 434.521 3.822 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011748712 556650364 /nfs/dbraw/zinc/65/03/64/556650364.db2.gz HQVSFQXAJBMQFL-OAHLLOKOSA-N 0 0 441.915 3.775 50 0 IHAARN CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](c4ccccc4)C[C@@H]32)C1=O ZINC000016957227 556650618 /nfs/dbraw/zinc/65/06/18/556650618.db2.gz TYEXNKPJGRQRIV-OXJNMPFZSA-N 0 0 437.927 3.686 50 0 IHAARN COc1cccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000016960485 556651175 /nfs/dbraw/zinc/65/11/75/556651175.db2.gz HSVADUZGKRNZCR-HXUWFJFHSA-N 0 0 444.491 3.579 50 0 IHAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000011760769 556653813 /nfs/dbraw/zinc/65/38/13/556653813.db2.gz KCRXNTRRQKCBIN-UHFFFAOYSA-N 0 0 426.498 3.806 50 0 IHAARN C[C@@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000017040283 556653886 /nfs/dbraw/zinc/65/38/86/556653886.db2.gz JVSOXRZAILJPMM-QWHCGFSZSA-N 0 0 442.472 3.815 50 0 IHAARN CC(C)c1ccc(-c2ccnc3c(C(=O)N4CCN(c5ccccn5)CC4)cnn32)cc1 ZINC000038655214 556653946 /nfs/dbraw/zinc/65/39/46/556653946.db2.gz FBEJIZLXNZUSDP-UHFFFAOYSA-N 0 0 426.524 3.877 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3nc4ccccc4n3C)o2)cc1 ZINC000033004648 556654754 /nfs/dbraw/zinc/65/47/54/556654754.db2.gz HTWVEMZHJGBGPY-CQSZACIVSA-N 0 0 437.525 3.992 50 0 IHAARN CCC[C@H](NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1)c1cccs1 ZINC000033006180 556655249 /nfs/dbraw/zinc/65/52/49/556655249.db2.gz MNQAHMUWCYZAEU-KRWDZBQOSA-N 0 0 439.585 3.747 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000248011220 556655668 /nfs/dbraw/zinc/65/56/68/556655668.db2.gz IUMXSXITUXCGOX-PMACEKPBSA-N 0 0 430.595 3.892 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000032927616 556656321 /nfs/dbraw/zinc/65/63/21/556656321.db2.gz JRYITQCBIZZAON-CYBMUJFWSA-N 0 0 437.468 3.608 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2cc3sc(NC(=O)CC)nc3c(OC)c2)cc1 ZINC000033007902 556656866 /nfs/dbraw/zinc/65/68/66/556656866.db2.gz GYFABHKWJHWAND-UHFFFAOYSA-N 0 0 435.527 3.853 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5cccc(C)c5)n4n3)CC2)o1 ZINC000033010152 556657977 /nfs/dbraw/zinc/65/79/77/556657977.db2.gz JQQQZIPSMCAVQH-UHFFFAOYSA-N 0 0 430.512 3.534 50 0 IHAARN O=C(NC1CCCCCC1)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033010184 556658142 /nfs/dbraw/zinc/65/81/42/556658142.db2.gz LOOVNEYVOATOML-UHFFFAOYSA-N 0 0 436.535 3.986 50 0 IHAARN CSCC[C@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000248045070 556658387 /nfs/dbraw/zinc/65/83/87/556658387.db2.gz LZUWOZFMXDXUCZ-IIAWOOMASA-N 0 0 431.583 3.556 50 0 IHAARN COc1cccc(CCNC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000011835149 556659326 /nfs/dbraw/zinc/65/93/26/556659326.db2.gz CNKXANWXADDZQU-UHFFFAOYSA-N 0 0 427.501 3.835 50 0 IHAARN CCCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000033012001 556660545 /nfs/dbraw/zinc/66/05/45/556660545.db2.gz AQNZMYGFUYHTNG-UHFFFAOYSA-N 0 0 442.566 3.988 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@H](C)O1 ZINC000011852812 556662684 /nfs/dbraw/zinc/66/26/84/556662684.db2.gz VKGIXEGBGZJLPA-GJZGRUSLSA-N 0 0 430.551 3.952 50 0 IHAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OC ZINC000043728553 556665078 /nfs/dbraw/zinc/66/50/78/556665078.db2.gz ZZUZVMJHLCLPNG-UHFFFAOYSA-N 0 0 430.508 3.933 50 0 IHAARN Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866952 556667174 /nfs/dbraw/zinc/66/71/74/556667174.db2.gz SCAYQZCNHCNDIC-SSOJOUAXSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000011867066 556667208 /nfs/dbraw/zinc/66/72/08/556667208.db2.gz GLMODHLCNVGQDF-SIBVEZHUSA-N 0 0 433.504 3.992 50 0 biogenic IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000017162247 556670855 /nfs/dbraw/zinc/67/08/55/556670855.db2.gz SVCYQULFGCRADS-ZFWWWQNUSA-N 0 0 440.521 3.615 50 0 IHAARN C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000011941267 556676509 /nfs/dbraw/zinc/67/65/09/556676509.db2.gz QCCCRICBZCHPEU-GFCCVEGCSA-N 0 0 447.442 3.752 50 0 IHAARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000032934815 556677653 /nfs/dbraw/zinc/67/76/53/556677653.db2.gz PARBNGTXEBNDSS-UHFFFAOYSA-N 0 0 432.152 3.733 50 0 IHAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)[nH]c(=O)c1C ZINC000012008495 556681052 /nfs/dbraw/zinc/68/10/52/556681052.db2.gz SIFFYDDWPFLECP-UHFFFAOYSA-N 0 0 442.435 3.740 50 0 IHAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 ZINC000057865009 556682483 /nfs/dbraw/zinc/68/24/83/556682483.db2.gz AZCSFXJLWBGOFZ-QUCCMNQESA-N 0 0 445.633 3.909 50 0 IHAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)s1 ZINC000033022839 556688385 /nfs/dbraw/zinc/68/83/85/556688385.db2.gz NCYVYPIZUHQHJA-UHFFFAOYSA-N 0 0 449.580 3.951 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1 ZINC000046005652 556689894 /nfs/dbraw/zinc/68/98/94/556689894.db2.gz RHGQPWYKQPCFOO-MRXNPFEDSA-N 0 0 449.486 3.625 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(SCC[S@](=O)c1ccccc1)n(CC(C)C)c2=O ZINC000032938029 556690863 /nfs/dbraw/zinc/69/08/63/556690863.db2.gz IRPFKKAUDCBNTO-SSEXGKCCSA-N 0 0 444.578 3.739 50 0 IHAARN CCn1c2ccccc2nc1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000010650984 556691535 /nfs/dbraw/zinc/69/15/35/556691535.db2.gz JTXHVZRPAPVWIA-IBGZPJMESA-N 0 0 428.558 3.696 50 0 IHAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000046141452 556692956 /nfs/dbraw/zinc/69/29/56/556692956.db2.gz YOBNYMAZYADPPT-AWEZNQCLSA-N 0 0 439.946 3.884 50 0 IHAARN COCCCNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141466 556692965 /nfs/dbraw/zinc/69/29/65/556692965.db2.gz DMNUMZNUMMCAMO-UHFFFAOYSA-N 0 0 427.935 3.742 50 0 IHAARN Cc1cccc(OCCCNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)c1 ZINC000024240950 556696321 /nfs/dbraw/zinc/69/63/21/556696321.db2.gz AEBLCSARZMZSOE-UHFFFAOYSA-N 0 0 442.537 3.574 50 0 IHAARN CCOc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031807 556711896 /nfs/dbraw/zinc/71/18/96/556711896.db2.gz JLDFJWFIRGUMCY-UHFFFAOYSA-N 0 0 435.499 3.931 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 ZINC000013696986 556712211 /nfs/dbraw/zinc/71/22/11/556712211.db2.gz FMFPNLFJJSHZQL-UHFFFAOYSA-N 0 0 427.526 3.525 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)CC1 ZINC000013704763 556713530 /nfs/dbraw/zinc/71/35/30/556713530.db2.gz UZUCHIVSYMFMKZ-UHFFFAOYSA-N 0 0 440.399 3.789 50 0 IHAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCOC)c3)C2)cc1 ZINC000033035158 556717696 /nfs/dbraw/zinc/71/76/96/556717696.db2.gz DCPAHIRNNGNVMN-HXUWFJFHSA-N 0 0 425.529 3.873 50 0 IHAARN CCc1ccccc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000033037509 556722435 /nfs/dbraw/zinc/72/24/35/556722435.db2.gz CVJZVWVZJWFLJZ-UHFFFAOYSA-N 0 0 435.503 3.678 50 0 IHAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000061718046 556724401 /nfs/dbraw/zinc/72/44/01/556724401.db2.gz XSLZLTWIXWVWDU-HNNXBMFYSA-N 0 0 425.920 3.680 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000061719665 556725853 /nfs/dbraw/zinc/72/58/53/556725853.db2.gz FMARZQMKQMKPFS-UHFFFAOYSA-N 0 0 434.279 3.873 50 0 IHAARN C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000061719377 556726364 /nfs/dbraw/zinc/72/63/64/556726364.db2.gz PPDQZYWHIUGMSP-HNNXBMFYSA-N 0 0 425.920 3.680 50 0 IHAARN COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)c4ccccc4[C@H]23)cc1 ZINC000071922028 556727018 /nfs/dbraw/zinc/72/70/18/556727018.db2.gz HQMZZAXJTDHRIQ-HSZRJFAPSA-N 0 0 426.407 3.641 50 0 IHAARN O=C(COC(=O)c1ccccc1Br)NCc1ccccc1Br ZINC000072330012 556727434 /nfs/dbraw/zinc/72/74/34/556727434.db2.gz OXGBUGZDQRUJDI-UHFFFAOYSA-N 0 0 427.092 3.685 50 0 IHAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O ZINC000011141245 556728273 /nfs/dbraw/zinc/72/82/73/556728273.db2.gz HNYSCOSZMXAPHJ-HNNXBMFYSA-N 0 0 441.915 3.857 50 0 IHAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2cccnc2)cc1 ZINC000061721132 556728430 /nfs/dbraw/zinc/72/84/30/556728430.db2.gz BPFGPDDISASNAL-XMMPIXPASA-N 0 0 430.508 3.753 50 0 IHAARN CCOc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)n1 ZINC000060351381 556729297 /nfs/dbraw/zinc/72/92/97/556729297.db2.gz FHUGRGWCAWGTFL-UHFFFAOYSA-N 0 0 438.811 3.688 50 0 IHAARN Nc1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(Nc2ccc(F)cc2)n1 ZINC000054147185 556729301 /nfs/dbraw/zinc/72/93/01/556729301.db2.gz WUGLXSJUKWDFPU-UHFFFAOYSA-N 0 0 447.440 3.678 50 0 IHAARN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2c(C)nc3sccn23)CC1 ZINC000055225726 556738302 /nfs/dbraw/zinc/73/83/02/556738302.db2.gz AINHPESXVFTGRK-UHFFFAOYSA-N 0 0 440.569 3.648 50 0 IHAARN Cc1cnc(C)c(N2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)n1 ZINC000055252763 556738945 /nfs/dbraw/zinc/73/89/45/556738945.db2.gz BFJNZLDQUZGCQB-UHFFFAOYSA-N 0 0 440.551 3.979 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc(OCC)c1OCC ZINC000072333856 556750108 /nfs/dbraw/zinc/75/01/08/556750108.db2.gz SYZKEPPKHNJAPA-UHFFFAOYSA-N 0 0 437.439 3.634 50 0 IHAARN CC(C)Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000058024769 556754835 /nfs/dbraw/zinc/75/48/35/556754835.db2.gz WKBDMOCEKBKCCC-JOCHJYFZSA-N 0 0 436.531 3.693 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000019418723 556755437 /nfs/dbraw/zinc/75/54/37/556755437.db2.gz PZHRCTBRZIHLJD-UHFFFAOYSA-N 0 0 437.721 3.604 50 0 IHAARN COCCn1cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)ccc1=O ZINC000058061806 556756072 /nfs/dbraw/zinc/75/60/72/556756072.db2.gz FSHLRFGTJZEPSA-QFIPXVFZSA-N 0 0 445.519 3.547 50 0 IHAARN O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058079629 556756639 /nfs/dbraw/zinc/75/66/39/556756639.db2.gz HCZCTZIOXMNNBQ-GOSISDBHSA-N 0 0 426.469 3.784 50 0 IHAARN Cc1c(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C ZINC000058140680 556761005 /nfs/dbraw/zinc/76/10/05/556761005.db2.gz GEJXALZRAGPXOM-LJQANCHMSA-N 0 0 447.564 3.870 50 0 IHAARN CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccc(C)cc1C ZINC000058156665 556762755 /nfs/dbraw/zinc/76/27/55/556762755.db2.gz HLVAZOXPDARTLP-UHFFFAOYSA-N 0 0 442.581 3.960 50 0 IHAARN Cc1ccccc1-c1cn(CC(=O)NCc2ccc(F)c(Cl)c2)nc1N1CCOCC1 ZINC000062006939 556765170 /nfs/dbraw/zinc/76/51/70/556765170.db2.gz XPHWZPTVFXZSIT-UHFFFAOYSA-N 0 0 442.922 3.804 50 0 IHAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)s1 ZINC000062022940 556766625 /nfs/dbraw/zinc/76/66/25/556766625.db2.gz MCWMSLRDLQMGCH-LLVKDONJSA-N 0 0 436.588 3.612 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000058173542 556768850 /nfs/dbraw/zinc/76/88/50/556768850.db2.gz ZZAYVOJKOZFYIG-UHFFFAOYSA-N 0 0 429.318 3.830 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000058175405 556769238 /nfs/dbraw/zinc/76/92/38/556769238.db2.gz SYPFUFLWDXGZFA-UHFFFAOYSA-N 0 0 439.487 3.505 50 0 IHAARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000058213976 556772318 /nfs/dbraw/zinc/77/23/18/556772318.db2.gz ZUAHTGAOKFCKDH-UHFFFAOYSA-N 0 0 425.266 3.877 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cc(-c2ccccc2)[nH]n1 ZINC000058264012 556776092 /nfs/dbraw/zinc/77/60/92/556776092.db2.gz PFZBQEGXPCURLQ-UHFFFAOYSA-N 0 0 429.480 3.675 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccccc1Br ZINC000058268046 556776811 /nfs/dbraw/zinc/77/68/11/556776811.db2.gz YUWUBEAYVGHNAM-GOSISDBHSA-N 0 0 441.272 3.902 50 0 IHAARN CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058313231 556780155 /nfs/dbraw/zinc/78/01/55/556780155.db2.gz UFCXLUFILHBZGB-QGZVFWFLSA-N 0 0 437.519 3.798 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3nccn3CC(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000058315653 556780367 /nfs/dbraw/zinc/78/03/67/556780367.db2.gz XRWLMMPVXCCQOG-ZIAGYGMSSA-N 0 0 443.445 3.862 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 ZINC000058357195 556782681 /nfs/dbraw/zinc/78/26/81/556782681.db2.gz CJPRDKCNJWHISJ-VXGBXAGGSA-N 0 0 436.281 3.912 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(-n2ccnc2)nc1 ZINC000058377968 556784005 /nfs/dbraw/zinc/78/40/05/556784005.db2.gz XFGQCVWIKULXEG-LJQANCHMSA-N 0 0 439.475 3.595 50 0 IHAARN O=C(NC1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000058406094 556785816 /nfs/dbraw/zinc/78/58/16/556785816.db2.gz RWUFMVDIHCRAGD-INIZCTEOSA-N 0 0 431.458 3.844 50 0 IHAARN O=C(COc1ccc(Cl)c2ccccc12)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000058423790 556787742 /nfs/dbraw/zinc/78/77/42/556787742.db2.gz QAPVNDCWVCOZLP-UHFFFAOYSA-N 0 0 446.912 3.756 50 0 IHAARN CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)CC(=O)Nc1cccc(F)c1 ZINC000019533327 556793392 /nfs/dbraw/zinc/79/33/92/556793392.db2.gz RDMADFCYIREMOC-UHFFFAOYSA-N 0 0 437.519 3.818 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCC2 ZINC000072401262 556800210 /nfs/dbraw/zinc/80/02/10/556800210.db2.gz KISUOGKHOOFYAP-KRWDZBQOSA-N 0 0 426.542 3.553 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072401850 556801774 /nfs/dbraw/zinc/80/17/74/556801774.db2.gz OOPLARIIEJRORT-SFHVURJKSA-N 0 0 440.569 3.943 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053068 556803445 /nfs/dbraw/zinc/80/34/45/556803445.db2.gz HYXJNTOSQPYBAE-UHFFFAOYSA-N 0 0 441.597 3.782 50 0 IHAARN Cc1cccc(C)c1OC[C@@H](O)CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl ZINC000060082028 556806373 /nfs/dbraw/zinc/80/63/73/556806373.db2.gz MYKVZROCXGVPBP-HNNXBMFYSA-N 0 0 435.858 3.633 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)Nc1ccc(F)c(Cl)c1 ZINC000003239170 556806494 /nfs/dbraw/zinc/80/64/94/556806494.db2.gz NULQJNGYAIOZSD-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN COCCN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202312 556809884 /nfs/dbraw/zinc/80/98/84/556809884.db2.gz BGSXLJYYYIYNFJ-KRWDZBQOSA-N 0 0 439.299 3.915 50 0 IHAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4ccccn4)cs3)n2)cc1 ZINC000061717698 556811109 /nfs/dbraw/zinc/81/11/09/556811109.db2.gz GZTMURNUPNWYLR-UHFFFAOYSA-N 0 0 435.534 3.789 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2)n1 ZINC000003355259 556811503 /nfs/dbraw/zinc/81/15/03/556811503.db2.gz CXLWPOQSKIEQSS-UHFFFAOYSA-N 0 0 429.379 3.606 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003302077 556811554 /nfs/dbraw/zinc/81/15/54/556811554.db2.gz FFRCVNFDQQUMMW-UHFFFAOYSA-N 0 0 425.848 3.645 50 0 IHAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1cc(C)ccc1Cl ZINC000097940877 556811764 /nfs/dbraw/zinc/81/17/64/556811764.db2.gz BFXXEIZHWJSJLP-UHFFFAOYSA-N 0 0 448.932 3.977 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000003330636 556812549 /nfs/dbraw/zinc/81/25/49/556812549.db2.gz ZJHUYDFIDZCWGC-OVCLIPMQSA-N 0 0 449.528 3.993 50 0 IHAARN c1cnc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC000003396823 556814397 /nfs/dbraw/zinc/81/43/97/556814397.db2.gz DIYKXJGFFQRTQJ-UHFFFAOYSA-N 0 0 429.553 3.749 50 0 IHAARN Cc1ccc(CN2C(=O)N[C@]3(CCCN(C(=O)c4ccc(F)c(Cl)c4)C3)C2=O)cc1 ZINC000097943853 556814625 /nfs/dbraw/zinc/81/46/25/556814625.db2.gz RYDORQBGQPUMNR-QFIPXVFZSA-N 0 0 429.879 3.514 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccs1 ZINC000003377739 556816332 /nfs/dbraw/zinc/81/63/32/556816332.db2.gz VYPOMMYROGVLCB-UHFFFAOYSA-N 0 0 444.538 3.503 50 0 IHAARN CCOc1ccc(CNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1OC ZINC000033060367 556816740 /nfs/dbraw/zinc/81/67/40/556816740.db2.gz SDHYEGQRNPPXSY-UHFFFAOYSA-N 0 0 446.916 3.781 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000003541330 556817429 /nfs/dbraw/zinc/81/74/29/556817429.db2.gz GEBIFTCHEHZLER-UHFFFAOYSA-N 0 0 440.327 3.828 50 0 IHAARN O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033067791 556819745 /nfs/dbraw/zinc/81/97/45/556819745.db2.gz ICWRVBOOLRBUBZ-UHFFFAOYSA-N 0 0 444.447 3.689 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3C)nc2c1 ZINC000033067979 556820316 /nfs/dbraw/zinc/82/03/16/556820316.db2.gz BKVOKOIKBZUZOA-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccccc1 ZINC000096487130 556821170 /nfs/dbraw/zinc/82/11/70/556821170.db2.gz LTQQSDKOVHFTBV-GOTSBHOMSA-N 0 0 449.551 3.791 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1)Cc1ccncc1 ZINC000063846714 556822004 /nfs/dbraw/zinc/82/20/04/556822004.db2.gz LZIISFIEBNOOSN-UHFFFAOYSA-N 0 0 426.586 3.778 50 0 IHAARN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)cc(OCC)c1OCC ZINC000065000998 556830236 /nfs/dbraw/zinc/83/02/36/556830236.db2.gz NQEPDMJTRSMLPX-LJQANCHMSA-N 0 0 442.560 3.514 50 0 IHAARN COc1cccc(-c2nc(Cn3ccn4nc(-c5ccc(C)cc5C)cc4c3=O)no2)c1 ZINC000065235780 556832860 /nfs/dbraw/zinc/83/28/60/556832860.db2.gz HHURVTGCWMPLSM-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN CN(Cc1ccccc1Br)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000062580569 556836373 /nfs/dbraw/zinc/83/63/73/556836373.db2.gz JSUWYNXQDCFVTN-UHFFFAOYSA-N 0 0 448.386 3.831 50 0 IHAARN CC(C)Cn1ccc2c1cccc2NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072404617 556836505 /nfs/dbraw/zinc/83/65/05/556836505.db2.gz VKDNAEXQKYYAMB-UHFFFAOYSA-N 0 0 433.556 3.760 50 0 IHAARN CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000019644569 556839184 /nfs/dbraw/zinc/83/91/84/556839184.db2.gz JTHLUWVFCYKXBB-UHFFFAOYSA-N 0 0 446.504 3.764 50 0 IHAARN FC(F)(F)c1cnc2[nH]cc(I)c2c1I ZINC000066054397 556839729 /nfs/dbraw/zinc/83/97/29/556839729.db2.gz ZLYKZZFHRXJRHH-UHFFFAOYSA-N 0 0 437.928 3.791 50 0 IHAARN O=C(COc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1 ZINC000022998501 556841029 /nfs/dbraw/zinc/84/10/29/556841029.db2.gz FGSOWBNVBXGYHR-UHFFFAOYSA-N 0 0 431.945 3.694 50 0 IHAARN COc1ccc(CN(Cc2csc(-c3ccc(C)o3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000096765402 556842543 /nfs/dbraw/zinc/84/25/43/556842543.db2.gz UBWAQTCRRFGBJV-GOSISDBHSA-N 0 0 432.567 3.909 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2cccnc2-n2cc(Br)cn2)cc1OC ZINC000072406337 556842905 /nfs/dbraw/zinc/84/29/05/556842905.db2.gz 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CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC3CCCCC3)cs2)c1 ZINC000008849978 556849924 /nfs/dbraw/zinc/84/99/24/556849924.db2.gz SGIRKPFWXWKIDR-UHFFFAOYSA-N 0 0 446.598 3.824 50 0 IHAARN CCOCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O ZINC000033077535 556854562 /nfs/dbraw/zinc/85/45/62/556854562.db2.gz RWXALXQUPKSYSK-UHFFFAOYSA-N 0 0 430.888 3.718 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000008988007 556854739 /nfs/dbraw/zinc/85/47/39/556854739.db2.gz SOLXMVRJJBJUIW-PKNBQFBNSA-N 0 0 448.972 3.853 50 0 IHAARN Cc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 ZINC000033087815 556855458 /nfs/dbraw/zinc/85/54/58/556855458.db2.gz KGHOMKQLHFCSPU-UHFFFAOYSA-N 0 0 429.567 3.833 50 0 IHAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087805 556855483 /nfs/dbraw/zinc/85/54/83/556855483.db2.gz MXICFUBDOVHXEU-UHFFFAOYSA-N 0 0 433.530 3.663 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccco3)n2)no1)Nc1ccc(Cl)cc1 ZINC000033087451 556857584 /nfs/dbraw/zinc/85/75/84/556857584.db2.gz OGBLYKJCDTYDDM-UHFFFAOYSA-N 0 0 430.877 3.965 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 ZINC000033088995 556858088 /nfs/dbraw/zinc/85/80/88/556858088.db2.gz OPBJFJHJMCBSHN-UHFFFAOYSA-N 0 0 441.281 3.749 50 0 IHAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)NC3CCCCCC3)c(=O)c2=O)cc1 ZINC000033106765 556859500 /nfs/dbraw/zinc/85/95/00/556859500.db2.gz CJCFJJOTDVJBRM-UHFFFAOYSA-N 0 0 433.552 3.749 50 0 IHAARN Cn1c(CCc2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nc2ccccc21 ZINC000033116550 556862385 /nfs/dbraw/zinc/86/23/85/556862385.db2.gz XOHRVUCHSBMWGQ-UHFFFAOYSA-N 0 0 449.532 3.931 50 0 IHAARN CCCCN(C)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019707611 556867806 /nfs/dbraw/zinc/86/78/06/556867806.db2.gz DQUKXEACRPSDBI-UHFFFAOYSA-N 0 0 442.589 3.559 50 0 IHAARN Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129791 556869197 /nfs/dbraw/zinc/86/91/97/556869197.db2.gz DSNFIVZVYIEFRQ-UHFFFAOYSA-N 0 0 445.560 3.655 50 0 IHAARN O=C(NCCc1cccs1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131384 556871955 /nfs/dbraw/zinc/87/19/55/556871955.db2.gz CMHAXBHFKLGDTR-UHFFFAOYSA-N 0 0 426.991 3.939 50 0 IHAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000033139821 556874831 /nfs/dbraw/zinc/87/48/31/556874831.db2.gz JNBXQARZRPPTDK-UHFFFAOYSA-N 0 0 426.952 3.805 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCCC3)c2=O)cc1 ZINC000033141576 556878081 /nfs/dbraw/zinc/87/80/81/556878081.db2.gz SLFZQVQVENZCTJ-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@@H](CC)C(=O)N(CC)CC)cc1 ZINC000004686243 556879052 /nfs/dbraw/zinc/87/90/52/556879052.db2.gz GEJKLMLYXKFOHT-KRWDZBQOSA-N 0 0 426.590 3.838 50 0 IHAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2S[C@H](CC)C(=O)N(CC)CC)cc1 ZINC000004686245 556879160 /nfs/dbraw/zinc/87/91/60/556879160.db2.gz GEJKLMLYXKFOHT-QGZVFWFLSA-N 0 0 426.590 3.838 50 0 IHAARN CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c1=O ZINC000033171812 556882620 /nfs/dbraw/zinc/88/26/20/556882620.db2.gz DKJGIFKQUZTVDZ-UHFFFAOYSA-N 0 0 447.535 3.699 50 0 biogenic IHAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nc2cccnc21 ZINC000033170380 556885604 /nfs/dbraw/zinc/88/56/04/556885604.db2.gz VQEGDHKKNAFSCE-UHFFFAOYSA-N 0 0 438.409 3.944 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCc2cccs2)c1 ZINC000033170596 556886113 /nfs/dbraw/zinc/88/61/13/556886113.db2.gz MJVZYQQYQLJSAF-HJWRWDBZSA-N 0 0 431.539 3.960 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000004698799 556887293 /nfs/dbraw/zinc/88/72/93/556887293.db2.gz FYFHXTJHRWZTQY-JFIYKMOQSA-N 0 0 429.590 3.576 50 0 IHAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1Cl ZINC000033250573 556891430 /nfs/dbraw/zinc/89/14/30/556891430.db2.gz ITRYIDNHVWSRJU-UHFFFAOYSA-N 0 0 433.917 3.661 50 0 IHAARN COc1ccc(NC(=O)Cn2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)c(OC)c1 ZINC000033251076 556891768 /nfs/dbraw/zinc/89/17/68/556891768.db2.gz YLOJIUYGBYSHHD-UHFFFAOYSA-N 0 0 435.402 3.688 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000033251123 556891903 /nfs/dbraw/zinc/89/19/03/556891903.db2.gz UUVXDVTXCCNQDW-UHFFFAOYSA-N 0 0 447.413 3.848 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1 ZINC000033252113 556892467 /nfs/dbraw/zinc/89/24/67/556892467.db2.gz KXOOONTYFIVISN-UHFFFAOYSA-N 0 0 434.565 3.757 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc2ccc(Sc3cccc(F)c3)nn2c1=O ZINC000033261805 556899874 /nfs/dbraw/zinc/89/98/74/556899874.db2.gz YIFPVZSDXKBGIA-UHFFFAOYSA-N 0 0 437.500 3.691 50 0 IHAARN CCn1c(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)nc2ccccc21 ZINC000019758191 556901753 /nfs/dbraw/zinc/90/17/53/556901753.db2.gz VBFJVTCQRIAMPS-UHFFFAOYSA-N 0 0 429.528 3.737 50 0 IHAARN Nc1nnc(SCCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000072333708 556906863 /nfs/dbraw/zinc/90/68/63/556906863.db2.gz VONZPBCKWLEYMD-UHFFFAOYSA-N 0 0 428.565 3.524 50 0 IHAARN CCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OCC ZINC000019808141 556918347 /nfs/dbraw/zinc/91/83/47/556918347.db2.gz NTDMTOCNWFQXKH-LDADJPATSA-N 0 0 427.913 3.817 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCCC1)c1cn(Cc2cccc3ccccc32)nn1 ZINC000019841959 556929692 /nfs/dbraw/zinc/92/96/92/556929692.db2.gz ITWRJHFXSQYNSD-UHFFFAOYSA-N 0 0 447.583 3.635 50 0 IHAARN O=C(Nc1cccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)c1)C1CC1 ZINC000010668807 556929790 /nfs/dbraw/zinc/92/97/90/556929790.db2.gz DQNRNNRSVRNSRT-UHFFFAOYSA-N 0 0 443.750 3.930 50 0 IHAARN O=C1N[C@](NCc2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000019848504 556930068 /nfs/dbraw/zinc/93/00/68/556930068.db2.gz VZMWBSBMXYGPSI-INIZCTEOSA-N 0 0 433.308 3.690 50 0 IHAARN O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857145 556931412 /nfs/dbraw/zinc/93/14/12/556931412.db2.gz JOYLIOCGRWILCJ-MRXNPFEDSA-N 0 0 437.359 3.630 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862699 556933842 /nfs/dbraw/zinc/93/38/42/556933842.db2.gz BAUVISJXRCTJBW-HNNXBMFYSA-N 0 0 440.924 3.668 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000019868162 556935014 /nfs/dbraw/zinc/93/50/14/556935014.db2.gz LCRDGLXGOFQIMS-UHFFFAOYSA-N 0 0 436.961 3.919 50 0 IHAARN COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1OC ZINC000019890254 556939250 /nfs/dbraw/zinc/93/92/50/556939250.db2.gz MHSQIEXMYRBMHO-OAQYLSRUSA-N 0 0 440.515 3.820 50 0 IHAARN COc1ccc(-c2nnc(SCCCCN3C(=O)c4ccccc4C3=O)o2)cc1OC ZINC000032939946 556943701 /nfs/dbraw/zinc/94/37/01/556943701.db2.gz HFMTUDZGAKWMET-UHFFFAOYSA-N 0 0 439.493 3.922 50 0 IHAARN O=C(c1ccn(COc2cccc(Cl)c2)n1)N1CCN(Cc2ccccc2F)CC1 ZINC000020028696 556967879 /nfs/dbraw/zinc/96/78/79/556967879.db2.gz GLSIDUSGLIBTPA-UHFFFAOYSA-N 0 0 428.895 3.670 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000020068885 556978373 /nfs/dbraw/zinc/97/83/73/556978373.db2.gz ZZGPAPHKRUNMKG-SJORKVTESA-N 0 0 433.896 3.785 50 0 IHAARN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103496 556981046 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Cc1ccc(F)c(N2CCC(NS(=O)(=O)c3ccc(F)cc3Br)CC2)c1 ZINC000097163891 556994128 /nfs/dbraw/zinc/99/41/28/556994128.db2.gz VTTXOUBHFFFCEH-UHFFFAOYSA-N 0 0 445.329 3.983 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncc(Br)cc1Br ZINC000020170575 556994888 /nfs/dbraw/zinc/99/48/88/556994888.db2.gz SGBUNIAJGPURHU-AWEZNQCLSA-N 0 0 444.079 3.905 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nnco3)c2)c1 ZINC000023075234 556995538 /nfs/dbraw/zinc/99/55/38/556995538.db2.gz WHCFBDIZWUDNGA-UHFFFAOYSA-N 0 0 434.905 3.673 50 0 IHAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2OC)CC1 ZINC000020191276 556996332 /nfs/dbraw/zinc/99/63/32/556996332.db2.gz AOCKHEDCCRLYCG-UHFFFAOYSA-N 0 0 428.540 3.997 50 0 IHAARN COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 ZINC000023079643 556996466 /nfs/dbraw/zinc/99/64/66/556996466.db2.gz VNTLPNSQORPHNU-INIZCTEOSA-N 0 0 438.480 3.770 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020323780 557007745 /nfs/dbraw/zinc/00/77/45/557007745.db2.gz WFFWZEBVVVJWJD-NRFANRHFSA-N 0 0 439.512 3.916 50 0 IHAARN CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1=O ZINC000023126750 557011322 /nfs/dbraw/zinc/01/13/22/557011322.db2.gz ICTAVMZMNCVHFE-UHFFFAOYSA-N 0 0 444.413 3.936 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3c2nc[nH]c3=O)cc1 ZINC000020394349 557013086 /nfs/dbraw/zinc/01/30/86/557013086.db2.gz JKLMXYXXRACNQG-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)cc(=O)oc2c1 ZINC000020407862 557013897 /nfs/dbraw/zinc/01/38/97/557013897.db2.gz XGOZMZSQLYFYJG-UHFFFAOYSA-N 0 0 439.943 3.820 50 0 IHAARN Cc1nn(CCC(=O)Nc2cccc3c2CCCC3)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998143 557015836 /nfs/dbraw/zinc/01/58/36/557015836.db2.gz XJRMSLAWMHDJLI-UHFFFAOYSA-N 0 0 444.601 3.582 50 0 IHAARN CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000010702863 557020115 /nfs/dbraw/zinc/02/01/15/557020115.db2.gz BAEOHFGLRNFZBR-UHFFFAOYSA-N 0 0 441.528 3.933 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 ZINC000023138250 557021277 /nfs/dbraw/zinc/02/12/77/557021277.db2.gz SKJVRCJBTLGXSG-UHFFFAOYSA-N 0 0 443.912 3.668 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000046027717 557024053 /nfs/dbraw/zinc/02/40/53/557024053.db2.gz FNTIDUSAQWPQOT-QGZVFWFLSA-N 0 0 443.613 3.935 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc(OCC)c1OCC ZINC000010751258 557025007 /nfs/dbraw/zinc/02/50/07/557025007.db2.gz AZAQFHAKWQXTSE-UHFFFAOYSA-N 0 0 447.484 3.695 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1OC ZINC000046044240 557025529 /nfs/dbraw/zinc/02/55/29/557025529.db2.gz QJMFWJXLONLRSQ-KRWDZBQOSA-N 0 0 430.932 3.916 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2N(C)C1=O ZINC000046053894 557026996 /nfs/dbraw/zinc/02/69/96/557026996.db2.gz RNRDYZBATZYZMG-UHFFFAOYSA-N 0 0 439.581 3.584 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 ZINC000032945393 557028971 /nfs/dbraw/zinc/02/89/71/557028971.db2.gz BXBYJVYFIMJFKZ-AWEZNQCLSA-N 0 0 434.562 3.766 50 0 IHAARN COCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058787 557029846 /nfs/dbraw/zinc/02/98/46/557029846.db2.gz IGHKTHUIPZHUNG-UHFFFAOYSA-N 0 0 438.958 3.756 50 0 IHAARN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000023157956 557030796 /nfs/dbraw/zinc/03/07/96/557030796.db2.gz MBCKHKWCAOWTED-QGZVFWFLSA-N 0 0 432.546 3.652 50 0 IHAARN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000023157950 557030807 /nfs/dbraw/zinc/03/08/07/557030807.db2.gz LLIIRNMRYDHBER-SJKOYZFVSA-N 0 0 432.546 3.652 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000046074723 557030906 /nfs/dbraw/zinc/03/09/06/557030906.db2.gz BNDLFGWPWJTOQQ-GOSISDBHSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(F)c2)CC(=O)N3)c1 ZINC000046074812 557031031 /nfs/dbraw/zinc/03/10/31/557031031.db2.gz FUMLGKIUYDQBDE-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000046074959 557031516 /nfs/dbraw/zinc/03/15/16/557031516.db2.gz ZSITWJUYHALNMR-SFHVURJKSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)c(C)c1 ZINC000046075495 557031928 /nfs/dbraw/zinc/03/19/28/557031928.db2.gz RIVRKNVGYUILRK-MRXNPFEDSA-N 0 0 434.521 3.744 50 0 IHAARN COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000046086010 557035556 /nfs/dbraw/zinc/03/55/56/557035556.db2.gz ZLQLADVMVWJUAU-MOPGFXCFSA-N 0 0 436.618 3.540 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000046124011 557037141 /nfs/dbraw/zinc/03/71/41/557037141.db2.gz UTPZEBJKFWXLOM-MRXNPFEDSA-N 0 0 442.566 3.667 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)n2)c1 ZINC000010863610 557043249 /nfs/dbraw/zinc/04/32/49/557043249.db2.gz BBRCOGZTSSSDMU-KRWDZBQOSA-N 0 0 445.324 3.893 50 0 IHAARN Cc1ccccc1C(=O)Nc1cc2c(cc1S(=O)(=O)C1CCCCC1)n(C)c(=O)n2C ZINC000046145710 557044043 /nfs/dbraw/zinc/04/40/43/557044043.db2.gz QJHDTFCRNYXGNU-UHFFFAOYSA-N 0 0 441.553 3.544 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1cccnc1 ZINC000017243953 557044108 /nfs/dbraw/zinc/04/41/08/557044108.db2.gz NGBXFSYPJFSSEZ-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN O=C(Nc1ccccc1Oc1ccccc1Cl)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000048234675 557045971 /nfs/dbraw/zinc/04/59/71/557045971.db2.gz LWNJSKAZBNTAET-UHFFFAOYSA-N 0 0 429.885 3.568 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)c(=O)oc2c1 ZINC000017263803 557047787 /nfs/dbraw/zinc/04/77/87/557047787.db2.gz LREPSIHOZGXEKS-SFHVURJKSA-N 0 0 433.504 3.859 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1)Nc1cc(F)cc(F)c1 ZINC000033270892 557048022 /nfs/dbraw/zinc/04/80/22/557048022.db2.gz KYFOPVVBSLRMEL-UHFFFAOYSA-N 0 0 442.451 3.997 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3cccnc3)n2)no1)Nc1ccc(Cl)cc1 ZINC000033271037 557048678 /nfs/dbraw/zinc/04/86/78/557048678.db2.gz FDQSJXORGHHLEC-UHFFFAOYSA-N 0 0 441.904 3.767 50 0 IHAARN Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1 ZINC000048260194 557048794 /nfs/dbraw/zinc/04/87/94/557048794.db2.gz QHMQJLSPKKMNCJ-OAQYLSRUSA-N 0 0 425.573 3.653 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000033271448 557049157 /nfs/dbraw/zinc/04/91/57/557049157.db2.gz DTGHYBYUHPFRLV-IBGZPJMESA-N 0 0 443.511 3.722 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000033271449 557049257 /nfs/dbraw/zinc/04/92/57/557049257.db2.gz DTGHYBYUHPFRLV-LJQANCHMSA-N 0 0 443.511 3.722 50 0 IHAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017274345 557049373 /nfs/dbraw/zinc/04/93/73/557049373.db2.gz UIHQMBLIVFUSRF-LLVKDONJSA-N 0 0 444.388 3.778 50 0 IHAARN COc1cccc(CNC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033271778 557050005 /nfs/dbraw/zinc/05/00/05/557050005.db2.gz VEXBZOOHOIUEFX-UHFFFAOYSA-N 0 0 445.376 3.888 50 0 IHAARN O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1F ZINC000022931131 557050167 /nfs/dbraw/zinc/05/01/67/557050167.db2.gz NCKBVPOXWNHCLL-UHFFFAOYSA-N 0 0 426.355 3.796 50 0 IHAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)N[C@H](C)c3ccccc3)c(=O)c2=O)cc1 ZINC000033272504 557052079 /nfs/dbraw/zinc/05/20/79/557052079.db2.gz BZLXBHONIZRBDL-HXUWFJFHSA-N 0 0 441.531 3.787 50 0 IHAARN Cc1cc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1Br ZINC000017305778 557052138 /nfs/dbraw/zinc/05/21/38/557052138.db2.gz GKSMZHGTIRUVMH-OAHLLOKOSA-N 0 0 428.334 3.970 50 0 IHAARN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000048287653 557053200 /nfs/dbraw/zinc/05/32/00/557053200.db2.gz KBBFJOMMOOFHRS-SFHVURJKSA-N 0 0 426.941 3.993 50 0 IHAARN Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c1 ZINC000033276260 557056403 /nfs/dbraw/zinc/05/64/03/557056403.db2.gz JYGVWZMTESQVRD-HNNXBMFYSA-N 0 0 440.525 3.536 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000048279204 557057450 /nfs/dbraw/zinc/05/74/50/557057450.db2.gz VHLNWPCMUSGARG-UHFFFAOYSA-N 0 0 426.460 3.687 50 0 IHAARN O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048285582 557057737 /nfs/dbraw/zinc/05/77/37/557057737.db2.gz GRPRDNCIDNIGOH-UHFFFAOYSA-N 0 0 430.482 3.626 50 0 IHAARN CCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033276961 557057950 /nfs/dbraw/zinc/05/79/50/557057950.db2.gz KRAIYWGOCSVTEF-UHFFFAOYSA-N 0 0 434.521 3.791 50 0 IHAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1coc(-c2cccs2)n1 ZINC000010873324 557058437 /nfs/dbraw/zinc/05/84/37/557058437.db2.gz SREIEUKILNVPKC-UHFFFAOYSA-N 0 0 433.555 3.718 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000048303275 557058436 /nfs/dbraw/zinc/05/84/36/557058436.db2.gz RJLKAXPYZPDWTK-IBGZPJMESA-N 0 0 443.475 3.816 50 0 IHAARN CC(C)c1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)CCN(Cc1ccccc1)C2 ZINC000033277322 557058768 /nfs/dbraw/zinc/05/87/68/557058768.db2.gz PDIQHJXMHZIQCA-UHFFFAOYSA-N 0 0 434.515 3.703 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)cc1 ZINC000033277348 557059118 /nfs/dbraw/zinc/05/91/18/557059118.db2.gz OIDNGLSVCJHDAX-UHFFFAOYSA-N 0 0 444.579 3.550 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)CN(Cc1ccccc1)CC2 ZINC000033277344 557059292 /nfs/dbraw/zinc/05/92/92/557059292.db2.gz SUDJFJDKEZOXLA-UHFFFAOYSA-N 0 0 446.551 3.572 50 0 IHAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)OCCCO2 ZINC000023054347 557060133 /nfs/dbraw/zinc/06/01/33/557060133.db2.gz FBOZIDUUIPIJTI-HXOBKFHXSA-N 0 0 426.488 3.853 50 0 IHAARN COc1ccc(NC(=O)CNc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000048310934 557060967 /nfs/dbraw/zinc/06/09/67/557060967.db2.gz QRHVJHHZLHSZPQ-UHFFFAOYSA-N 0 0 437.949 3.574 50 0 IHAARN O=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccccn2)CC1 ZINC000033279099 557061053 /nfs/dbraw/zinc/06/10/53/557061053.db2.gz GFFMHSGUERGCHQ-UHFFFAOYSA-N 0 0 429.455 3.900 50 0 IHAARN CCNC(=O)COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC ZINC000048311584 557061283 /nfs/dbraw/zinc/06/12/83/557061283.db2.gz QIRYTFGFDBOMRA-ZEQRLZLVSA-N 0 0 440.540 3.587 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000023070327 557061357 /nfs/dbraw/zinc/06/13/57/557061357.db2.gz IOJKILMQUKCEGR-AWEZNQCLSA-N 0 0 426.498 3.962 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCCN2CCOCC2)cc1 ZINC000023118469 557064486 /nfs/dbraw/zinc/06/44/86/557064486.db2.gz RUWCOKUHCHYZJQ-UHFFFAOYSA-N 0 0 441.553 3.617 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1)c1cc(OC)ccc1n2C ZINC000033287497 557065004 /nfs/dbraw/zinc/06/50/04/557065004.db2.gz SCCCKKAXYQFWLJ-UHFFFAOYSA-N 0 0 440.500 3.787 50 0 IHAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000048333836 557068453 /nfs/dbraw/zinc/06/84/53/557068453.db2.gz WGSHRRMSLORYPL-ROUUACIJSA-N 0 0 430.593 3.849 50 0 IHAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(OCC)cc3)CC2)c1=O ZINC000033290644 557068808 /nfs/dbraw/zinc/06/88/08/557068808.db2.gz NDFZCKKMNIYFJB-UHFFFAOYSA-N 0 0 449.555 3.996 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000033290585 557068903 /nfs/dbraw/zinc/06/89/03/557068903.db2.gz SHUZRBAARKSPFE-UHFFFAOYSA-N 0 0 438.531 3.716 50 0 IHAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000033291038 557069072 /nfs/dbraw/zinc/06/90/72/557069072.db2.gz FUQLAPMPCVKNTR-AWEZNQCLSA-N 0 0 426.860 3.895 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000023178083 557070900 /nfs/dbraw/zinc/07/09/00/557070900.db2.gz JIVVYNWCBOOECX-JOCHJYFZSA-N 0 0 439.943 3.894 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000048342300 557070927 /nfs/dbraw/zinc/07/09/27/557070927.db2.gz JDERLGMPOJXKHA-OKILXGFUSA-N 0 0 439.387 3.564 50 0 IHAARN COc1cc(CNC(=O)c2cncc(Br)c2)ccc1OCc1ccncc1 ZINC000048345499 557071957 /nfs/dbraw/zinc/07/19/57/557071957.db2.gz OEIUYMZYKMRYNZ-UHFFFAOYSA-N 0 0 428.286 3.757 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000033296795 557072939 /nfs/dbraw/zinc/07/29/39/557072939.db2.gz KVLLXFAKZFRULN-IBGZPJMESA-N 0 0 432.524 3.857 50 0 IHAARN CC(C)n1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc2c1=O ZINC000023222866 557074568 /nfs/dbraw/zinc/07/45/68/557074568.db2.gz WCZCNPTYAJJCEA-CQSZACIVSA-N 0 0 445.566 3.712 50 0 IHAARN COc1ccc(C2(C(=O)N3CCc4nnc(Cc5ccccc5)n4CC3)CCCC2)cc1 ZINC000023231814 557075537 /nfs/dbraw/zinc/07/55/37/557075537.db2.gz PTZIFVMUMOARGQ-UHFFFAOYSA-N 0 0 430.552 3.774 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cn(CC(=O)NC3CCCC3)c2n1 ZINC000049002135 557080642 /nfs/dbraw/zinc/08/06/42/557080642.db2.gz DDCOHFTYSARZCY-UHFFFAOYSA-N 0 0 432.524 3.633 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(N1CCCCCC1)n(-c1ccc(OC)c(OC)c1)c2=O ZINC000033300553 557082227 /nfs/dbraw/zinc/08/22/27/557082227.db2.gz BHSLQDSEDUTNAJ-UHFFFAOYSA-N 0 0 437.496 3.570 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)cc1 ZINC000033300840 557082823 /nfs/dbraw/zinc/08/28/23/557082823.db2.gz OMGMRMZPDJYBPX-UHFFFAOYSA-N 0 0 439.570 3.627 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3c(C)cccc3C)c2c1=O ZINC000048988078 557082849 /nfs/dbraw/zinc/08/28/49/557082849.db2.gz AKJPYASJELKNLD-UHFFFAOYSA-N 0 0 430.508 3.767 50 0 IHAARN CC(C)CCNC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)C1 ZINC000033302568 557083683 /nfs/dbraw/zinc/08/36/83/557083683.db2.gz LXWSJBPCSJNCMD-MRXNPFEDSA-N 0 0 442.560 3.965 50 0 IHAARN O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCN(Cc2cccs2)CC1 ZINC000023337702 557084890 /nfs/dbraw/zinc/08/48/90/557084890.db2.gz RBKYVQHJCVPFGA-UHFFFAOYSA-N 0 0 433.480 3.941 50 0 IHAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756652 557084943 /nfs/dbraw/zinc/08/49/43/557084943.db2.gz QCFULWBMHFQTRJ-GBXCKJPGSA-N 0 0 438.524 3.819 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)N2c4ccccc4C[C@@H]2C)c(=O)n3C(C)C)no1 ZINC000033306896 557084970 /nfs/dbraw/zinc/08/49/70/557084970.db2.gz RHFSAJRVNCMRAV-HNNXBMFYSA-N 0 0 431.496 3.720 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1Cl ZINC000049007250 557085614 /nfs/dbraw/zinc/08/56/14/557085614.db2.gz WVMDIWUWZSEMGN-UHFFFAOYSA-N 0 0 428.945 3.550 50 0 IHAARN Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)C2(N4CCOCC4)CCCCC2)C3)nc1 ZINC000023340273 557085979 /nfs/dbraw/zinc/08/59/79/557085979.db2.gz JNGYCYKAZBTEIK-OAQYLSRUSA-N 0 0 435.568 3.512 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308235 557088270 /nfs/dbraw/zinc/08/82/70/557088270.db2.gz ONLPPRIFARUQKW-UHFFFAOYSA-N 0 0 442.475 3.993 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000049002219 557089885 /nfs/dbraw/zinc/08/98/85/557089885.db2.gz LJOFGJQCKALSEX-UHFFFAOYSA-N 0 0 432.524 3.505 50 0 IHAARN Cc1cn2c3c(nc2n1-c1ccc(C)cc1C)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097574793 557091617 /nfs/dbraw/zinc/09/16/17/557091617.db2.gz DNCPYNRKKJYKFX-FLIBITNWSA-N 0 0 439.519 3.777 50 0 IHAARN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411677 557091746 /nfs/dbraw/zinc/09/17/46/557091746.db2.gz YFIITXKJSADHAA-JOCHJYFZSA-N 0 0 439.475 3.751 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000023434900 557092095 /nfs/dbraw/zinc/09/20/95/557092095.db2.gz FZEPMSFYPOMCOT-CQSZACIVSA-N 0 0 428.432 3.625 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000023434901 557092149 /nfs/dbraw/zinc/09/21/49/557092149.db2.gz FZEPMSFYPOMCOT-AWEZNQCLSA-N 0 0 428.432 3.625 50 0 IHAARN COc1cccc(-c2noc(CCn3nc(-c4cccc(Cl)c4)ccc3=O)n2)c1OC ZINC000033309680 557092265 /nfs/dbraw/zinc/09/22/65/557092265.db2.gz KGSNVFKJXKDJRA-UHFFFAOYSA-N 0 0 438.871 3.874 50 0 IHAARN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000049406209 557095030 /nfs/dbraw/zinc/09/50/30/557095030.db2.gz ACEHFCMXLHYOEF-UHFFFAOYSA-N 0 0 429.952 3.612 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000023508598 557095208 /nfs/dbraw/zinc/09/52/08/557095208.db2.gz XEJCCPBSDVCNGG-UHFFFAOYSA-N 0 0 432.590 3.581 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000023529311 557095839 /nfs/dbraw/zinc/09/58/39/557095839.db2.gz SPOYHKFOXAYHFK-UHFFFAOYSA-N 0 0 438.952 3.855 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000033312750 557096417 /nfs/dbraw/zinc/09/64/17/557096417.db2.gz CLJJKGVGUMSRPR-QFIPXVFZSA-N 0 0 445.485 3.543 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312891 557097476 /nfs/dbraw/zinc/09/74/76/557097476.db2.gz RHGGHSDFPGMOEB-FQRUVTKNSA-N 0 0 449.595 3.730 50 0 IHAARN CC1CCN(C(=O)C2=NN(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)CC1 ZINC000049402549 557097934 /nfs/dbraw/zinc/09/79/34/557097934.db2.gz XKDHEKTUADDCKH-UHFFFAOYSA-N 0 0 431.945 3.706 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000004767706 557098595 /nfs/dbraw/zinc/09/85/95/557098595.db2.gz BCTGXPXCQDTBMR-UHFFFAOYSA-N 0 0 426.538 3.911 50 0 IHAARN COC(=O)c1ccc(NC(=O)CN2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000049403279 557098874 /nfs/dbraw/zinc/09/88/74/557098874.db2.gz TYGKFNCHIMVDLU-UHFFFAOYSA-N 0 0 434.496 3.650 50 0 IHAARN CCc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3C)C3=C2C(=O)OC3)cc1 ZINC000049403080 557098915 /nfs/dbraw/zinc/09/89/15/557098915.db2.gz SFFDEVYZTBNWDN-OAQYLSRUSA-N 0 0 439.899 3.727 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(C)ccc4OC)CC3)n2)cc1 ZINC000049403465 557099207 /nfs/dbraw/zinc/09/92/07/557099207.db2.gz MATONUURCQKUPM-UHFFFAOYSA-N 0 0 436.512 3.880 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCS1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000049403699 557099591 /nfs/dbraw/zinc/09/95/91/557099591.db2.gz LSBHYHLGKPEDMZ-UHFFFAOYSA-N 0 0 440.956 3.508 50 0 IHAARN Cn1c(CNC(=O)CSc2nnc(-c3cc4ccccc4n3C)o2)nc2ccccc21 ZINC000033317928 557099659 /nfs/dbraw/zinc/09/96/59/557099659.db2.gz OVLQTMGYLMBQMH-UHFFFAOYSA-N 0 0 432.509 3.524 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(OC)c1O ZINC000072191452 557099730 /nfs/dbraw/zinc/09/97/30/557099730.db2.gz FXSZPURVJFDXEN-UHFFFAOYSA-N 0 0 425.466 3.926 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3)cccn12 ZINC000049404841 557099828 /nfs/dbraw/zinc/09/98/28/557099828.db2.gz HGBHBLFYMBABCO-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5ccccc5c4)CC3)nn2)cc1 ZINC000049405924 557100997 /nfs/dbraw/zinc/10/09/97/557100997.db2.gz ZWQFQOOJCWBTSK-UHFFFAOYSA-N 0 0 439.519 3.764 50 0 IHAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccnn1C1CCCC1 ZINC000023632334 557101513 /nfs/dbraw/zinc/10/15/13/557101513.db2.gz IRUKTOOMLJAITO-OAHLLOKOSA-N 0 0 441.557 3.646 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)[nH]n2)cc1 ZINC000049406689 557102298 /nfs/dbraw/zinc/10/22/98/557102298.db2.gz BGSLPQYDOIUYAE-UHFFFAOYSA-N 0 0 438.553 3.500 50 0 IHAARN COc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000049408472 557103425 /nfs/dbraw/zinc/10/34/25/557103425.db2.gz JLFOOABPWXOJDG-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408651 557103699 /nfs/dbraw/zinc/10/36/99/557103699.db2.gz FLKZTFOTMXSOBL-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3cc(F)cc(F)c3)cn12 ZINC000049408605 557103709 /nfs/dbraw/zinc/10/37/09/557103709.db2.gz KXTATOUVZBGSGX-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN O=C(CCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1)c1ccccc1 ZINC000585147566 557105121 /nfs/dbraw/zinc/10/51/21/557105121.db2.gz XOJLIIQGTVSRJE-UHFFFAOYSA-N 0 0 447.510 3.951 50 0 IHAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)n32)c1 ZINC000049410696 557105841 /nfs/dbraw/zinc/10/58/41/557105841.db2.gz QGHQLOKXCBAOMU-UHFFFAOYSA-N 0 0 434.475 3.646 50 0 IHAARN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(C(N)=O)CC3)nc2c1C ZINC000023699822 557107308 /nfs/dbraw/zinc/10/73/08/557107308.db2.gz RNDYOVNAAKFUSW-UHFFFAOYSA-N 0 0 436.581 3.644 50 0 IHAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325693 557107826 /nfs/dbraw/zinc/10/78/26/557107826.db2.gz KLJJEGRRTYVRJV-OAQYLSRUSA-N 0 0 437.565 3.765 50 0 IHAARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn21)C(=O)NC1CCCCC1 ZINC000049421466 557108118 /nfs/dbraw/zinc/10/81/18/557108118.db2.gz XZBUZYWNQOJIKZ-IBGZPJMESA-N 0 0 443.573 3.923 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCOC1CCCCC1 ZINC000011356236 557110540 /nfs/dbraw/zinc/11/05/40/557110540.db2.gz JGALIOFOHWMGEF-UHFFFAOYSA-N 0 0 427.471 3.548 50 0 IHAARN COc1ccc(N2c3c(sc(=O)n3C)[C@H](c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000049544317 557110905 /nfs/dbraw/zinc/11/09/05/557110905.db2.gz FYSJOFWBNXWZPW-INIZCTEOSA-N 0 0 426.494 3.673 50 0 IHAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)Nc1ccc2c(c1)OCO2 ZINC000033328915 557112676 /nfs/dbraw/zinc/11/26/76/557112676.db2.gz CHQZKCGVINJUOB-UHFFFAOYSA-N 0 0 445.460 3.997 50 0 IHAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000049550828 557113252 /nfs/dbraw/zinc/11/32/52/557113252.db2.gz QZLCLGCVAAHDCP-CYBMUJFWSA-N 0 0 428.901 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/nfs/dbraw/zinc/18/64/93/557186493.db2.gz WGDPFPMWPOTKIK-KRWDZBQOSA-N 0 0 435.455 3.649 50 0 IHAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(C)cc1 ZINC000009582748 557190277 /nfs/dbraw/zinc/19/02/77/557190277.db2.gz PJQVTTYUXLRQMC-UHFFFAOYSA-N 0 0 426.517 3.693 50 0 IHAARN CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000025063489 557193626 /nfs/dbraw/zinc/19/36/26/557193626.db2.gz OQOYMVGTJOEFJW-UHFFFAOYSA-N 0 0 441.534 3.785 50 0 IHAARN COc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc(OC)c1 ZINC000000790159 557193822 /nfs/dbraw/zinc/19/38/22/557193822.db2.gz DBAAYTISRSIYSZ-UHFFFAOYSA-N 0 0 435.509 3.872 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000096305765 557195455 /nfs/dbraw/zinc/19/54/55/557195455.db2.gz ICURBTZZXAJHTG-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(CCCO)nn32)cc1OC ZINC000100892493 557199022 /nfs/dbraw/zinc/19/90/22/557199022.db2.gz GESNMWZRUXRAJE-GOSISDBHSA-N 0 0 426.904 3.930 50 0 IHAARN COC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000025180588 557199159 /nfs/dbraw/zinc/19/91/59/557199159.db2.gz OWKBHWTXFJKMHQ-UHFFFAOYSA-N 0 0 426.900 3.568 50 0 IHAARN COc1cccc(Cc2c(C)nc(CN(Cc3ccco3)C(=O)NC(C)(C)C)[nH]c2=O)c1 ZINC000096317890 557199173 /nfs/dbraw/zinc/19/91/73/557199173.db2.gz MUJWYXFWBWLXKE-UHFFFAOYSA-N 0 0 438.528 3.781 50 0 IHAARN CC(C)c1c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 ZINC000025240361 557200825 /nfs/dbraw/zinc/20/08/25/557200825.db2.gz SDCHIZZONRMSFK-UHFFFAOYSA-N 0 0 446.960 3.951 50 0 IHAARN COC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)nc1C ZINC000072236016 557200882 /nfs/dbraw/zinc/20/08/82/557200882.db2.gz KVTAGQCUIBSJKC-UHFFFAOYSA-N 0 0 445.522 3.600 50 0 IHAARN Cc1ccccc1[C@H](OC[C@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 ZINC000025265825 557201785 /nfs/dbraw/zinc/20/17/85/557201785.db2.gz DQMGHLXEJCVLEK-FQRUVTKNSA-N 0 0 429.520 3.540 50 0 IHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccccc1 ZINC000025326250 557204081 /nfs/dbraw/zinc/20/40/81/557204081.db2.gz ZMCBSWPSNRBEBE-XMMPIXPASA-N 0 0 432.495 3.860 50 0 IHAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1OCC(F)(F)F ZINC000025351156 557205652 /nfs/dbraw/zinc/20/56/52/557205652.db2.gz FWKHAMAJRHXZTQ-LLVKDONJSA-N 0 0 448.492 3.801 50 0 IHAARN O=C(Cc1csc(-c2ccco2)n1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000025361522 557205927 /nfs/dbraw/zinc/20/59/27/557205927.db2.gz MQMNPMLEQHCVCG-UHFFFAOYSA-N 0 0 437.477 3.803 50 0 IHAARN O=C(c1cc(F)c(F)cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013986713 557205984 /nfs/dbraw/zinc/20/59/84/557205984.db2.gz HBMXEOTVHPFHEP-LBPRGKRZSA-N 0 0 433.842 3.676 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2n1C ZINC000218566081 557208042 /nfs/dbraw/zinc/20/80/42/557208042.db2.gz JFMBNMQKKYSBCK-AWEZNQCLSA-N 0 0 446.960 3.648 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O ZINC000000796094 557208728 /nfs/dbraw/zinc/20/87/28/557208728.db2.gz JVDWLYDRTZWTLM-FQEVSTJZSA-N 0 0 446.525 3.612 50 0 IHAARN COc1cc(OC)c(NC(=O)COC(=O)CSc2ccc(F)c(F)c2)cc1Cl ZINC000010981475 557210129 /nfs/dbraw/zinc/21/01/29/557210129.db2.gz FUQSPBUXKSUCFE-UHFFFAOYSA-N 0 0 431.844 3.909 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010985389 557210674 /nfs/dbraw/zinc/21/06/74/557210674.db2.gz OZORORPINZVQOA-UHFFFAOYSA-N 0 0 444.582 3.708 50 0 IHAARN O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000025494276 557212152 /nfs/dbraw/zinc/21/21/52/557212152.db2.gz OZHVEMWBCUEIKC-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000025484375 557212159 /nfs/dbraw/zinc/21/21/59/557212159.db2.gz WWCNWBSNKPDKEK-OAHLLOKOSA-N 0 0 434.477 3.511 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000169779754 557212328 /nfs/dbraw/zinc/21/23/28/557212328.db2.gz SQJVDHRYCABDBD-UHFFFAOYSA-N 0 0 430.430 3.908 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1 ZINC000011617400 557212926 /nfs/dbraw/zinc/21/29/26/557212926.db2.gz UVDLGNIOAIIBNR-UHFFFAOYSA-N 0 0 430.555 3.796 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1 ZINC000101050472 557216796 /nfs/dbraw/zinc/21/67/96/557216796.db2.gz BXPASGIBSLOURW-ZRBLBEILSA-N 0 0 430.460 3.755 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000025956349 557231025 /nfs/dbraw/zinc/23/10/25/557231025.db2.gz CACFMTIMCKDEGP-OFVILXPXSA-N 0 0 446.576 3.952 50 0 IHAARN O=C(c1ccccc1I)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000072257887 557231255 /nfs/dbraw/zinc/23/12/55/557231255.db2.gz NUTAXJNFLMAFMJ-UHFFFAOYSA-N 0 0 426.685 3.907 50 0 IHAARN Cc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000018038193 557231772 /nfs/dbraw/zinc/23/17/72/557231772.db2.gz SKRNDHZFWBDVMW-IYBDPMFKSA-N 0 0 437.945 3.803 50 0 IHAARN COc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc(OC)c1OC ZINC000026003307 557231988 /nfs/dbraw/zinc/23/19/88/557231988.db2.gz ORERVCODLVSHRG-UHFFFAOYSA-N 0 0 449.529 3.714 50 0 IHAARN O=C(Cn1cnc2ccsc2c1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000026019249 557232180 /nfs/dbraw/zinc/23/21/80/557232180.db2.gz OGPYQXLQDNARTN-AWEZNQCLSA-N 0 0 426.548 3.959 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(n2c(COC)nc3cccnc32)CC1 ZINC000032950039 557232903 /nfs/dbraw/zinc/23/29/03/557232903.db2.gz VOWROPQNPQCVDV-UHFFFAOYSA-N 0 0 437.500 3.623 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1 ZINC000026090389 557234305 /nfs/dbraw/zinc/23/43/05/557234305.db2.gz NXUHGILQWAVFQU-UHFFFAOYSA-N 0 0 425.510 3.995 50 0 IHAARN O=S(=O)(CCN1CCC([C@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000026118040 557234842 /nfs/dbraw/zinc/23/48/42/557234842.db2.gz VQTWGLCVOJXHBF-HXUWFJFHSA-N 0 0 438.387 3.668 50 0 IHAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000018068136 557235027 /nfs/dbraw/zinc/23/50/27/557235027.db2.gz UIBYGIRRCNPPCR-ZLNRFVROSA-N 0 0 430.460 3.842 50 0 IHAARN CCn1c(=O)c2sccc2nc1SC[C@H]1CSc2nnc(-c3ccncc3)n21 ZINC000026129002 557235793 /nfs/dbraw/zinc/23/57/93/557235793.db2.gz LQLFCNNJAJQJNW-LBPRGKRZSA-N 0 0 428.568 3.571 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000000810803 557243439 /nfs/dbraw/zinc/24/34/39/557243439.db2.gz JJAHUKVTQYKVRL-UHFFFAOYSA-N 0 0 443.569 3.610 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1SC(F)F ZINC000018160367 557244239 /nfs/dbraw/zinc/24/42/39/557244239.db2.gz OHKJSEXLADOKHR-UHFFFAOYSA-N 0 0 441.525 3.501 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)s1 ZINC000026569930 557245156 /nfs/dbraw/zinc/24/51/56/557245156.db2.gz HOCMJGUOACBKKV-OAHLLOKOSA-N 0 0 432.489 3.545 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3c2ccc(S(=O)(=O)N3CCCC3)cn2)cs1 ZINC000018175290 557245651 /nfs/dbraw/zinc/24/56/51/557245651.db2.gz FRVRGZBAKOFZJP-UHFFFAOYSA-N 0 0 426.567 3.992 50 0 IHAARN O=C(Nc1ccc(F)cc1)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100167029 557245779 /nfs/dbraw/zinc/24/57/79/557245779.db2.gz HCMGRINMJOJQMR-LJQANCHMSA-N 0 0 425.391 3.924 50 0 IHAARN O=C(CC1(CC(=O)N2CCc3ccccc3C2)CCCC1)N1CCN(c2ccccn2)CC1 ZINC000018180877 557246001 /nfs/dbraw/zinc/24/60/01/557246001.db2.gz VRGBMIFIBJBNMM-UHFFFAOYSA-N 0 0 446.595 3.656 50 0 IHAARN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000604403848 557246308 /nfs/dbraw/zinc/24/63/08/557246308.db2.gz AIUIYPALFLXCKQ-UHFFFAOYSA-N 0 0 447.443 3.958 50 0 biogenic IHAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026692518 557246807 /nfs/dbraw/zinc/24/68/07/557246807.db2.gz IKGIKMHFIIUJRB-UHFFFAOYSA-N 0 0 441.487 3.928 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952084 557247103 /nfs/dbraw/zinc/24/71/03/557247103.db2.gz YXLABKYMFNCYAU-UHFFFAOYSA-N 0 0 427.489 3.978 50 0 IHAARN COc1cc(-c2ccc(NC(=O)[C@@H]3CCCO3)c(OC)c2)ccc1NC(=O)[C@@H]1CCCO1 ZINC000013967505 557247583 /nfs/dbraw/zinc/24/75/83/557247583.db2.gz JNBCHAYFNOVUOZ-PMACEKPBSA-N 0 0 440.496 3.606 50 0 IHAARN CCOC(=O)C1CCN(C(=S)SCC(=O)c2ccc(Br)cc2)CC1 ZINC000018195120 557247656 /nfs/dbraw/zinc/24/76/56/557247656.db2.gz FFEHOCIGCQYWBV-UHFFFAOYSA-N 0 0 430.389 3.925 50 0 IHAARN CC(C)OCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604405518 557248928 /nfs/dbraw/zinc/24/89/28/557248928.db2.gz PCMHIDULHWXNQM-QHCPKHFHSA-N 0 0 435.524 3.513 50 0 biogenic IHAARN Cn1cc(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c2ccccc21 ZINC000604418578 557250344 /nfs/dbraw/zinc/25/03/44/557250344.db2.gz ZKLXUBSDVIRBAB-UHFFFAOYSA-N 0 0 445.972 3.734 50 0 IHAARN CN(C(=O)CSc1ncnc2ccsc21)c1ccccc1C(=O)NCc1ccco1 ZINC000026961924 557252543 /nfs/dbraw/zinc/25/25/43/557252543.db2.gz HQEZALCGUZSZOF-UHFFFAOYSA-N 0 0 438.534 3.969 50 0 IHAARN CCCCCn1c(CCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000026978671 557253124 /nfs/dbraw/zinc/25/31/24/557253124.db2.gz UTEGXHZKUTWGQM-ZWKOTPCHSA-N 0 0 445.608 3.504 50 0 IHAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000026987268 557253562 /nfs/dbraw/zinc/25/35/62/557253562.db2.gz PTQSJWIGYHLKPR-UHFFFAOYSA-N 0 0 436.814 3.851 50 0 IHAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1C ZINC000000813907 557254822 /nfs/dbraw/zinc/25/48/22/557254822.db2.gz BVJCQSOEKNDNGF-UHFFFAOYSA-N 0 0 431.587 3.803 50 0 IHAARN O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000027020990 557255148 /nfs/dbraw/zinc/25/51/48/557255148.db2.gz WOZSQGRZIWVSBQ-FLLLGSRRSA-N 0 0 432.288 3.518 50 0 IHAARN COc1ccc(Br)cc1/C=c1\sc2nc(/C=C/c3cccs3)nn2c1=O ZINC000027022357 557255584 /nfs/dbraw/zinc/25/55/84/557255584.db2.gz GBUHPHJSYZIICV-MSLGXNKOSA-N 0 0 446.351 3.702 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c2ccccc2nc(=O)n1C[C@H]1CCCO1 ZINC000101113786 557256225 /nfs/dbraw/zinc/25/62/25/557256225.db2.gz CMMPFKKEKADNSP-NZZMRGDMSA-N 0 0 433.295 3.948 50 0 IHAARN COc1ccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(OC)c2)cc1 ZINC000101114090 557256595 /nfs/dbraw/zinc/25/65/95/557256595.db2.gz JKGWYUFJOIJKQI-WEMUOSSPSA-N 0 0 444.491 3.722 50 0 IHAARN Cc1cc(Br)ccc1SCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000027099596 557256886 /nfs/dbraw/zinc/25/68/86/557256886.db2.gz JCHXMJDOORZMDZ-UHFFFAOYSA-N 0 0 437.359 3.864 50 0 IHAARN C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000027100772 557257027 /nfs/dbraw/zinc/25/70/27/557257027.db2.gz VXZQVAREPXPILE-LBPRGKRZSA-N 0 0 440.352 3.765 50 0 IHAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc4n[nH]nc4c3)c2)c1C(F)(F)F ZINC000027359680 557261034 /nfs/dbraw/zinc/26/10/34/557261034.db2.gz JJWSSCJFZNXVJB-UHFFFAOYSA-N 0 0 444.373 3.591 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101180472 557262763 /nfs/dbraw/zinc/26/27/63/557262763.db2.gz IZFKBBWLZQVYJB-ZRBLBEILSA-N 0 0 445.450 3.835 50 0 IHAARN CC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1 ZINC000000821705 557268082 /nfs/dbraw/zinc/26/80/82/557268082.db2.gz LXSHMVZWNQKNGG-UNMCSNQZSA-N 0 0 429.973 3.651 50 0 IHAARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1 ZINC000000825760 557268701 /nfs/dbraw/zinc/26/87/01/557268701.db2.gz OWEMRTXJXKWHGO-UJKMTWAASA-N 0 0 428.875 3.877 50 0 IHAARN O=C(c1ccccc1Cl)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027662882 557269180 /nfs/dbraw/zinc/26/91/80/557269180.db2.gz HZUVHBLSMNJWEM-LLVKDONJSA-N 0 0 432.723 3.525 50 0 IHAARN O=C(COc1ccc(F)cc1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000027663966 557269984 /nfs/dbraw/zinc/26/99/84/557269984.db2.gz PALQSEBYMBWGNN-HXUWFJFHSA-N 0 0 427.497 3.574 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027743200 557272321 /nfs/dbraw/zinc/27/23/21/557272321.db2.gz KRKOTOOUKZNYEO-MRXNPFEDSA-N 0 0 428.337 3.832 50 0 IHAARN CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N/c1ccccc1 ZINC000101336760 557274290 /nfs/dbraw/zinc/27/42/90/557274290.db2.gz BWGBIVCFLYGZQX-GHVJWSGMSA-N 0 0 443.594 3.880 50 0 IHAARN COc1cccc(CNC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1OC ZINC000101354190 557275365 /nfs/dbraw/zinc/27/53/65/557275365.db2.gz USAFPXMQZGSGQG-UHFFFAOYSA-N 0 0 443.503 3.878 50 0 IHAARN O=C1Nc2ccccc2[C@@]12N[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000101343386 557279254 /nfs/dbraw/zinc/27/92/54/557279254.db2.gz DKWSYHLLRYQTAA-UKDJSQQHSA-N 0 0 443.890 3.638 50 0 IHAARN O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101388414 557282422 /nfs/dbraw/zinc/28/24/22/557282422.db2.gz DOCSXCUUPHNBIH-DXQXWHQDSA-N 0 0 436.511 3.999 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(CC(C)C)CC(C)C)nc1N ZINC000071771935 557293795 /nfs/dbraw/zinc/29/37/95/557293795.db2.gz ZLKMQUQEBXPMHF-UHFFFAOYSA-N 0 0 426.970 3.672 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000101895272 557296436 /nfs/dbraw/zinc/29/64/36/557296436.db2.gz OXUAIQLLSKQZEX-GUDVDZBRSA-N 0 0 432.307 3.538 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828640 557300209 /nfs/dbraw/zinc/30/02/09/557300209.db2.gz XCZBSGFJUODVRS-UHFFFAOYSA-N 0 0 442.450 3.896 50 0 IHAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(C(C)=O)c3)C(=O)C2)cc1 ZINC000101881505 557305307 /nfs/dbraw/zinc/30/53/07/557305307.db2.gz BVRMBWYFVOGMMT-UHFFFAOYSA-N 0 0 442.475 3.789 50 0 IHAARN O=c1[nH]c2c(s1)[C@H](c1ccc(O)cc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000101944006 557307822 /nfs/dbraw/zinc/30/78/22/557307822.db2.gz SSAHOWUXRDKWJH-IJEWVQPXSA-N 0 0 444.921 3.591 50 0 IHAARN Cc1cc2c(cc1C)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@H]1CCCC1=N2 ZINC000101945897 557308080 /nfs/dbraw/zinc/30/80/80/557308080.db2.gz ZWLWDBRHLSAHDA-NRFANRHFSA-N 0 0 430.552 3.871 50 0 IHAARN COc1cccc(CSc2nc(CC(=O)Nc3ccccc3SC)cc(=O)[nH]2)c1 ZINC000023138178 557312138 /nfs/dbraw/zinc/31/21/38/557312138.db2.gz JKUQJBPKMFRIPI-UHFFFAOYSA-N 0 0 427.551 3.974 50 0 IHAARN CCN1c2ccc(C)cc2[C@@H](NC(=O)c2cccc(I)c2C)C1=O ZINC000102093969 557312437 /nfs/dbraw/zinc/31/24/37/557312437.db2.gz RWVUFDLJYJOLSO-QGZVFWFLSA-N 0 0 434.277 3.746 50 0 IHAARN c1ccc(-c2nnc3n2[C@H](CSc2nnc(NC[C@H]4CCCO4)s2)CS3)cc1 ZINC000032906021 557317421 /nfs/dbraw/zinc/31/74/21/557317421.db2.gz HQVAOOFSFXOUDZ-UONOGXRCSA-N 0 0 432.600 3.827 50 0 IHAARN COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)cc1Cl ZINC000102322616 557319025 /nfs/dbraw/zinc/31/90/25/557319025.db2.gz PADOWBGNZPIPRK-ZQIUZPCESA-N 0 0 434.920 3.662 50 0 IHAARN COc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1OC ZINC000032971518 557319514 /nfs/dbraw/zinc/31/95/14/557319514.db2.gz ZYKLNBXFZLLMDC-UHFFFAOYSA-N 0 0 439.537 3.837 50 0 IHAARN CCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667752 557324509 /nfs/dbraw/zinc/32/45/09/557324509.db2.gz QLVCRARCLBRHTH-UHFFFAOYSA-N 0 0 433.533 3.708 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(C)cc1 ZINC000033125483 557324633 /nfs/dbraw/zinc/32/46/33/557324633.db2.gz OGQUXXKLPOXQFT-FQEVSTJZSA-N 0 0 425.916 3.977 50 0 IHAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(Br)cc3)ccc2=O)cc1 ZINC000033128407 557324926 /nfs/dbraw/zinc/32/49/26/557324926.db2.gz SDJMIEDDMNEPDF-UHFFFAOYSA-N 0 0 446.326 3.734 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@H]3CC=CC[C@@H]3C1=O)CC2 ZINC000102477504 557325308 /nfs/dbraw/zinc/32/53/08/557325308.db2.gz NRCYVMSGZMNVFQ-SKPFHBQLSA-N 0 0 432.520 3.560 50 0 IHAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)Nc3ccc(C)c(Cl)c3)CCC2)cc1 ZINC000033324801 557333221 /nfs/dbraw/zinc/33/32/21/557333221.db2.gz HQPMWRQHGHEOSS-UHFFFAOYSA-N 0 0 447.926 3.956 50 0 IHAARN CCc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000100165901 557340238 /nfs/dbraw/zinc/34/02/38/557340238.db2.gz UMVPNPOVKATLAH-UFYCRDLUSA-N 0 0 440.341 3.547 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000100166041 557340307 /nfs/dbraw/zinc/34/03/07/557340307.db2.gz OQJKGILEFIBHHE-BZSNNMDCSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc4c(c3)OCO4)C(=O)C2)cc1 ZINC000102530339 557342529 /nfs/dbraw/zinc/34/25/29/557342529.db2.gz PAKDWXMALMAXCK-UHFFFAOYSA-N 0 0 443.459 3.920 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000014582896 557343286 /nfs/dbraw/zinc/34/32/86/557343286.db2.gz FTVXYGVLLVYSLL-UHFFFAOYSA-N 0 0 441.450 3.933 50 0 IHAARN COC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(OC)c1 ZINC000011673622 557347006 /nfs/dbraw/zinc/34/70/06/557347006.db2.gz OCWXQZNZCNOOQQ-MRXNPFEDSA-N 0 0 440.477 3.893 50 0 IHAARN COC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(OC)c1 ZINC000011673620 557347131 /nfs/dbraw/zinc/34/71/31/557347131.db2.gz OCWXQZNZCNOOQQ-INIZCTEOSA-N 0 0 440.477 3.893 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CSc3ncnc4c3cnn4C)[C@@H](c3ccco3)C2)cc1 ZINC000011681724 557366215 /nfs/dbraw/zinc/36/62/15/557366215.db2.gz GKGRMFOOJAKXEP-GOSISDBHSA-N 0 0 432.509 3.735 50 0 IHAARN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2N2CCCN12 ZINC000102707460 557367114 /nfs/dbraw/zinc/36/71/14/557367114.db2.gz ZAUDIALSROPSAO-ZHALLVOQSA-N 0 0 432.307 3.538 50 0 IHAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000220812953 557367143 /nfs/dbraw/zinc/36/71/43/557367143.db2.gz CIAXPCJCSSUDOQ-DLBZAZTESA-N 0 0 428.533 3.739 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@H]1c1ccccc1 ZINC000102748085 557378921 /nfs/dbraw/zinc/37/89/21/557378921.db2.gz TZRSBHUDHWHXOP-NRFANRHFSA-N 0 0 434.521 3.536 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3)c12 ZINC000011696204 557394443 /nfs/dbraw/zinc/39/44/43/557394443.db2.gz AEQWERVTOOSHCD-HNNXBMFYSA-N 0 0 444.582 3.500 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)c3cn(C)c4ccccc34)n2C)c1 ZINC000013956172 557397967 /nfs/dbraw/zinc/39/79/67/557397967.db2.gz KRQRYFDLDDCJJG-UHFFFAOYSA-N 0 0 433.537 3.520 50 0 IHAARN CC[C@@H]1[C@H](C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000408516909 557411957 /nfs/dbraw/zinc/41/19/57/557411957.db2.gz AKHVSLFAGOVJTP-KURKYZTESA-N 0 0 431.581 3.704 50 0 IHAARN COc1ccc(CN(CC(C)C)C(=O)c2ccccc2Cl)cc1OS(C)(=O)=O ZINC000033594480 557416161 /nfs/dbraw/zinc/41/61/61/557416161.db2.gz JASJZGLJCGCFLD-UHFFFAOYSA-N 0 0 425.934 3.985 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000103296105 557433453 /nfs/dbraw/zinc/43/34/53/557433453.db2.gz OVNONBJEWCHLPN-AEFFLSMTSA-N 0 0 443.594 3.509 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000024504637 557437181 /nfs/dbraw/zinc/43/71/81/557437181.db2.gz UELFFBOJHXLIOS-MRXNPFEDSA-N 0 0 441.487 3.998 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103588268 557439892 /nfs/dbraw/zinc/43/98/92/557439892.db2.gz HSCXWVCBXQDGDC-DNVJHFABSA-N 0 0 443.478 3.702 50 0 IHAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104689869 557458083 /nfs/dbraw/zinc/45/80/83/557458083.db2.gz KEGBXCHDKWXVDT-ZIAGYGMSSA-N 0 0 446.910 3.502 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)CCC[C@H]2N3)cc1 ZINC000104711111 557458623 /nfs/dbraw/zinc/45/86/23/557458623.db2.gz QJIHSAQIHXCLAB-WTNAPCKOSA-N 0 0 434.496 3.724 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccccc1 ZINC000105009342 557472062 /nfs/dbraw/zinc/47/20/62/557472062.db2.gz LTQQSDKOVHFTBV-XZOQPEGZSA-N 0 0 449.551 3.791 50 0 IHAARN CCc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000018350818 557495356 /nfs/dbraw/zinc/49/53/56/557495356.db2.gz AMMCLKQMKUJUEB-SANMLTNESA-N 0 0 435.568 3.972 50 0 IHAARN C[C@@H]1CN([C@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 ZINC000105727703 557510315 /nfs/dbraw/zinc/51/03/15/557510315.db2.gz BTDBEUWKXACCRQ-LPTQZCDUSA-N 0 0 445.922 3.875 50 0 IHAARN Cc1noc(C)c1CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 ZINC000046815728 557513064 /nfs/dbraw/zinc/51/30/64/557513064.db2.gz IJZZARYQPYPMKB-VWLOTQADSA-N 0 0 443.551 3.943 50 0 IHAARN COc1cccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccccc4)no3)c2N)c1 ZINC000046914172 557513552 /nfs/dbraw/zinc/51/35/52/557513552.db2.gz LIRYCGMRESOHIC-UHFFFAOYSA-N 0 0 436.497 3.552 50 0 IHAARN Cc1ccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000047146060 557517505 /nfs/dbraw/zinc/51/75/05/557517505.db2.gz HPRNYQDRTDQYOD-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN O=C(NCCOC(=O)c1ccccc1Br)c1ccccc1Br ZINC000002753394 557521743 /nfs/dbraw/zinc/52/17/43/557521743.db2.gz GAMDKDBUYMSWDV-UHFFFAOYSA-N 0 0 427.092 3.798 50 0 IHAARN C[C@@H](NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccc(F)cc1 ZINC000106465861 557529642 /nfs/dbraw/zinc/52/96/42/557529642.db2.gz SBBIODNPSLKWHA-KBMIEXCESA-N 0 0 437.559 3.861 50 0 IHAARN O=C(c1ccccc1Br)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105605 557534270 /nfs/dbraw/zinc/53/42/70/557534270.db2.gz BXUDNXVPIDILPA-HNNXBMFYSA-N 0 0 426.307 3.667 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1C ZINC000107177043 557535422 /nfs/dbraw/zinc/53/54/22/557535422.db2.gz FONMBQOIDBZWCY-ZDQHKECQSA-N 0 0 449.938 3.696 50 0 IHAARN O=C(CN1CCN2CCOc3cccc1c32)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000108158750 557541723 /nfs/dbraw/zinc/54/17/23/557541723.db2.gz AAERMEDTOMLHAI-GOSISDBHSA-N 0 0 434.521 3.738 50 0 IHAARN C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 ZINC000051353937 557542430 /nfs/dbraw/zinc/54/24/30/557542430.db2.gz BGNRPFRTLBYQIS-YMTOWFKASA-N 0 0 446.223 3.993 50 0 IHAARN C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 ZINC000051353939 557542499 /nfs/dbraw/zinc/54/24/99/557542499.db2.gz BGNRPFRTLBYQIS-OTYXRUKQSA-N 0 0 446.223 3.993 50 0 IHAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1 ZINC000045895256 557546442 /nfs/dbraw/zinc/54/64/42/557546442.db2.gz ZCHWVJWGXIPYBG-UHFFFAOYSA-N 0 0 426.538 3.868 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)CS2 ZINC000045960846 557554840 /nfs/dbraw/zinc/55/48/40/557554840.db2.gz NRYZGBJYIUFNSI-UHFFFAOYSA-N 0 0 425.554 3.863 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3cccc(F)c3)CC2)c1C ZINC000045973913 557555735 /nfs/dbraw/zinc/55/57/35/557555735.db2.gz SWALISWGQHFRBJ-UHFFFAOYSA-N 0 0 443.519 3.506 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000039996272 557675211 /nfs/dbraw/zinc/67/52/11/557675211.db2.gz QSUFIOCRSZYAFO-BLOBHPOZSA-N 0 0 448.878 3.576 50 0 IHAARN Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccc(F)cc2n1 ZINC000040073900 557685138 /nfs/dbraw/zinc/68/51/38/557685138.db2.gz ASTRRLUMXIJGPW-UHFFFAOYSA-N 0 0 427.501 3.526 50 0 IHAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)OCC(=O)OC(C)(C)C)nc2n1 ZINC000040051837 557686370 /nfs/dbraw/zinc/68/63/70/557686370.db2.gz HQBSBYLNZLZTLL-UHFFFAOYSA-N 0 0 428.514 3.532 50 0 IHAARN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000040150957 557703882 /nfs/dbraw/zinc/70/38/82/557703882.db2.gz NPKZJQXJZOGLBP-UHFFFAOYSA-N 0 0 437.521 3.807 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cnc21 ZINC000040151134 557703883 /nfs/dbraw/zinc/70/38/83/557703883.db2.gz YBKHVFTZTWOQGS-UHFFFAOYSA-N 0 0 438.507 3.712 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1C(=O)c1ccccc1 ZINC000225512612 557732868 /nfs/dbraw/zinc/73/28/68/557732868.db2.gz TUZYDJRWJYITQS-UHFFFAOYSA-N 0 0 442.924 3.878 50 0 IHAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000225522772 557735343 /nfs/dbraw/zinc/73/53/43/557735343.db2.gz DVBHHQLFEZBFGW-UHFFFAOYSA-N 0 0 428.577 3.637 50 0 IHAARN CCOC(=O)c1sc2nc(CN(C)C)nc(NCCCO[C@H]3CCCCO3)c2c1C ZINC000225534787 557738045 /nfs/dbraw/zinc/73/80/45/557738045.db2.gz ORBNJYUIGLSIPW-INIZCTEOSA-N 0 0 436.578 3.583 50 0 IHAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)c1 ZINC000225538277 557738444 /nfs/dbraw/zinc/73/84/44/557738444.db2.gz GOLVCMRIFJSJTH-UHFFFAOYSA-N 0 0 432.586 3.920 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)Nc3cc(N4CCNC4=O)ccc3C)c(=O)oc2c1 ZINC000225610237 557751334 /nfs/dbraw/zinc/75/13/34/557751334.db2.gz QGVWEJPYWFNGRK-UHFFFAOYSA-N 0 0 435.480 3.519 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C(C)C)[C@@H](O)c2ccccc2)ccc1C ZINC000225727754 557769551 /nfs/dbraw/zinc/76/95/51/557769551.db2.gz AQONACAUCWPLRP-YADHBBJMSA-N 0 0 432.586 3.514 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000225833174 557782902 /nfs/dbraw/zinc/78/29/02/557782902.db2.gz AQFSEJRTGRDZNC-AWEZNQCLSA-N 0 0 435.347 3.553 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)c1 ZINC000226358147 557806151 /nfs/dbraw/zinc/80/61/51/557806151.db2.gz BOFQNRMVJLPPBU-RVHYNSKXSA-N 0 0 435.476 3.661 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226807831 557809087 /nfs/dbraw/zinc/80/90/87/557809087.db2.gz IZFKBBWLZQVYJB-YTFSRNRJSA-N 0 0 445.450 3.835 50 0 IHAARN O=C(Nc1cccc(I)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000024990549 557830372 /nfs/dbraw/zinc/83/03/72/557830372.db2.gz ZBUBLBWJRMQVKX-AWEZNQCLSA-N 0 0 440.306 3.986 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)cc12 ZINC000229629298 557832755 /nfs/dbraw/zinc/83/27/55/557832755.db2.gz VYJIQIVRAICGTH-OFQRWUPVSA-N 0 0 427.526 3.577 50 0 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CCOC(=O)[C@@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002300359 562926866 /nfs/dbraw/zinc/92/68/66/562926866.db2.gz HBOQATYKLUBMPY-MRXNPFEDSA-N 0 0 435.761 3.896 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002423090 562927551 /nfs/dbraw/zinc/92/75/51/562927551.db2.gz MSFNKZKSAFAYQP-HUUCEWRRSA-N 0 0 427.975 3.693 50 0 IHAARN CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O ZINC000002617365 562928430 /nfs/dbraw/zinc/92/84/30/562928430.db2.gz BMIGFBWWFBQMBL-UHFFFAOYSA-N 0 0 449.532 3.984 50 0 aggregator IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000002652534 562929434 /nfs/dbraw/zinc/92/94/34/562929434.db2.gz KRTJMXTZIKTTSD-CQSZACIVSA-N 0 0 432.908 3.538 50 0 IHAARN COc1ccccc1N(C[C@H](O)COc1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000002694494 562929826 /nfs/dbraw/zinc/92/98/26/562929826.db2.gz AQYFPPJCZUFPEF-IBGZPJMESA-N 0 0 427.522 3.639 50 0 IHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1c[nH]c2ccccc12 ZINC000002725878 562930108 /nfs/dbraw/zinc/93/01/08/562930108.db2.gz NSUBLHBGKFKWSX-UHFFFAOYSA-N 0 0 440.521 3.772 50 0 aggregator IHAARN CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O ZINC000002925122 562930608 /nfs/dbraw/zinc/93/06/08/562930608.db2.gz OVGBFFNHJHGUKT-LBPRGKRZSA-N 0 0 431.539 3.946 50 0 IHAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1 ZINC000002925526 562930612 /nfs/dbraw/zinc/93/06/12/562930612.db2.gz BSRPVHOXPDDXNU-UHFFFAOYSA-N 0 0 444.582 3.583 50 0 IHAARN Cc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000003051457 562932234 /nfs/dbraw/zinc/93/22/34/562932234.db2.gz WJZJNJMORKJFOV-UHFFFAOYSA-N 0 0 426.513 3.585 50 0 IHAARN COc1cc(C(=O)NCCSc2ccc(Br)cc2)cc(OC)c1OC ZINC000003133707 562932528 /nfs/dbraw/zinc/93/25/28/562932528.db2.gz LAFNAEGUOJGHPW-UHFFFAOYSA-N 0 0 426.332 3.997 50 0 IHAARN O=C1C2(CCCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2 ZINC000003166885 562932607 /nfs/dbraw/zinc/93/26/07/562932607.db2.gz NLGLVEBOSFSJHD-UHFFFAOYSA-N 0 0 426.465 3.615 50 0 IHAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000003251243 562933334 /nfs/dbraw/zinc/93/33/34/562933334.db2.gz YOXCBPZFDXIVTL-UHFFFAOYSA-N 0 0 430.416 3.697 50 0 aggregator IHAARN C[C@H](C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O ZINC000003258347 562933396 /nfs/dbraw/zinc/93/33/96/562933396.db2.gz ZZVASJSHDOGXPS-QGZVFWFLSA-N 0 0 445.519 3.614 50 0 IHAARN COc1ccc(C(=O)OCC(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1OC ZINC000003311904 562934057 /nfs/dbraw/zinc/93/40/57/562934057.db2.gz VKDXJNAWTSKUIJ-UHFFFAOYSA-N 0 0 426.372 3.526 50 0 IHAARN Cc1nc(NC(=O)CCNC(=O)c2cccc(C)c2)sc1Cc1ccc2c(c1)OCO2 ZINC000003326907 562934292 /nfs/dbraw/zinc/93/42/92/562934292.db2.gz PMACCOZRMMLOLL-UHFFFAOYSA-N 0 0 437.521 3.838 50 0 IHAARN CCc1nnc(NC(=O)C[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 ZINC000003626861 562936883 /nfs/dbraw/zinc/93/68/83/562936883.db2.gz DBELNUGSNLCSDJ-KRWDZBQOSA-N 0 0 444.582 3.534 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)Nc3ccncc3)c2C)cc1 ZINC000004149977 562942365 /nfs/dbraw/zinc/94/23/65/562942365.db2.gz MNFRVLMUCXTDFQ-UHFFFAOYSA-N 0 0 445.566 3.633 50 0 IHAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000006576904 562947312 /nfs/dbraw/zinc/94/73/12/562947312.db2.gz KGEQGIAXPBGPBH-VSKRKVRLSA-N 0 0 434.423 3.591 50 0 IHAARN C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC(C)CC1 ZINC000007389293 562948686 /nfs/dbraw/zinc/94/86/86/562948686.db2.gz RQIWRBKCHOXGHD-MRXNPFEDSA-N 0 0 427.998 3.574 50 0 IHAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1ccccc1 ZINC000008589517 562951251 /nfs/dbraw/zinc/95/12/51/562951251.db2.gz DOPDXKJFMWROQC-UHFFFAOYSA-N 0 0 427.536 3.845 50 0 IHAARN CCCCN(CCCC)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000008595383 562953467 /nfs/dbraw/zinc/95/34/67/562953467.db2.gz FQWRQDIUWXRJJC-UHFFFAOYSA-N 0 0 438.619 3.521 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000008599303 562954625 /nfs/dbraw/zinc/95/46/25/562954625.db2.gz ZZGOJUOZOBCVBP-UHFFFAOYSA-N 0 0 428.411 3.615 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c(OC)c1 ZINC000008601680 562955555 /nfs/dbraw/zinc/95/55/55/562955555.db2.gz KTJYDLJECOBECZ-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)cc4)c3C)ns2)c1 ZINC000008603071 562955936 /nfs/dbraw/zinc/95/59/36/562955936.db2.gz UDYLKQABBIPFJT-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1F ZINC000008610023 562958007 /nfs/dbraw/zinc/95/80/07/562958007.db2.gz RJHKAQWYDWEPLR-UHFFFAOYSA-N 0 0 428.489 3.692 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)cc2s1 ZINC000008610408 562958159 /nfs/dbraw/zinc/95/81/59/562958159.db2.gz QTHXONUGLITSKW-UHFFFAOYSA-N 0 0 443.472 3.883 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCc1cccs1 ZINC000008610661 562958271 /nfs/dbraw/zinc/95/82/71/562958271.db2.gz SUCQJKLPCOAHCS-UHFFFAOYSA-N 0 0 446.507 3.917 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008612054 562958924 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CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000003517735 568750546 /nfs/dbraw/zinc/75/05/46/568750546.db2.gz GWVOJUDDZIVNDD-UHFFFAOYSA-N 0 0 434.517 3.889 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 ZINC000019165848 568754294 /nfs/dbraw/zinc/75/42/94/568754294.db2.gz VKZXRHILDPLPTQ-AWEZNQCLSA-N 0 0 444.944 3.882 50 0 IHAARN Cc1ccc(-n2c(SCc3cc(=O)n4ccc(C)cc4n3)nc3ccccc3c2=O)nc1 ZINC000015277890 568754802 /nfs/dbraw/zinc/75/48/02/568754802.db2.gz QBXCQRIEWWMKRI-UHFFFAOYSA-N 0 0 441.516 3.698 50 0 IHAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NCc1ccco1 ZINC000019166450 568755008 /nfs/dbraw/zinc/75/50/08/568755008.db2.gz RXGYQLKACXWHTH-MRXNPFEDSA-N 0 0 440.521 3.706 50 0 IHAARN O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000299758921 568755767 /nfs/dbraw/zinc/75/57/67/568755767.db2.gz LSFXGBODCYSNAX-QFIPXVFZSA-N 0 0 433.464 3.650 50 0 IHAARN O=C([C@@H]1CC12CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)CC2)N1CCc2ccccc2C1 ZINC000299761990 568755893 /nfs/dbraw/zinc/75/58/93/568755893.db2.gz CQLRFYQFDJMFJT-PKTZIBPZSA-N 0 0 428.532 3.570 50 0 IHAARN CCc1nc2cc(N)cc(C(=O)N[C@H](c3ccccn3)C(F)(F)F)c2n1CCCOC ZINC000299761735 568755896 /nfs/dbraw/zinc/75/58/96/568755896.db2.gz ZJWBAASSEGWOBS-LJQANCHMSA-N 0 0 435.450 3.646 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1 ZINC000015343730 568758360 /nfs/dbraw/zinc/75/83/60/568758360.db2.gz GUSNSYZUVRORSR-UHFFFAOYSA-N 0 0 431.330 3.769 50 0 IHAARN COC(=O)c1cn(C[C@H](c2c[nH]c3ccccc32)c2ccccc2OC)cc2c(=O)[nH]nc1-2 ZINC000263587842 568760768 /nfs/dbraw/zinc/76/07/68/568760768.db2.gz LXCNZDSWQVQEAV-SFHVURJKSA-N 0 0 442.475 3.785 50 0 IHAARN Cn1c2nnc(SCc3ccc4c(c3)OCO4)n2c2sc3c(c2c1=O)CCCC3 ZINC000001253628 568775066 /nfs/dbraw/zinc/77/50/66/568775066.db2.gz FGIHCYTYZSBWGS-UHFFFAOYSA-N 0 0 426.523 3.543 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)c(OC)c1 ZINC000263615638 568776144 /nfs/dbraw/zinc/77/61/44/568776144.db2.gz DIYBWVUWDVXJDQ-QGZVFWFLSA-N 0 0 439.468 3.748 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)cc1 ZINC000263616210 568776570 /nfs/dbraw/zinc/77/65/70/568776570.db2.gz HPTZYJXYRRJGHI-QHCPKHFHSA-N 0 0 449.507 3.725 50 0 IHAARN CN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447948 568780677 /nfs/dbraw/zinc/78/06/77/568780677.db2.gz BZTGTBBAAHFSNT-UHFFFAOYSA-N 0 0 436.531 3.856 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1Cl ZINC000015470183 568784484 /nfs/dbraw/zinc/78/44/84/568784484.db2.gz HBOVLPFFCDBZFD-HXUWFJFHSA-N 0 0 425.916 3.631 50 0 IHAARN Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 ZINC000001388267 568784806 /nfs/dbraw/zinc/78/48/06/568784806.db2.gz VDOVXPYZTVLLCT-UHFFFAOYSA-N 0 0 443.381 3.893 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc3c(c2)CCC3)c2ccccc2c1=O ZINC000001399524 568786012 /nfs/dbraw/zinc/78/60/12/568786012.db2.gz FUPVZFDFJNKJQD-UHFFFAOYSA-N 0 0 435.483 3.848 50 0 IHAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(OCCCO)CC2)cc1Cl ZINC000083953087 568786924 /nfs/dbraw/zinc/78/69/24/568786924.db2.gz NZMSCUKIJFURAL-QFIPXVFZSA-N 0 0 432.948 3.892 50 0 IHAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(OCCCO)CC2)cc1Cl ZINC000083953084 568786945 /nfs/dbraw/zinc/78/69/45/568786945.db2.gz NZMSCUKIJFURAL-JOCHJYFZSA-N 0 0 432.948 3.892 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1csc(-c2ccsc2)n1 ZINC000025888893 568787923 /nfs/dbraw/zinc/78/79/23/568787923.db2.gz YDPMQEOAANFPJU-UHFFFAOYSA-N 0 0 439.609 3.648 50 0 IHAARN Cc1nc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2nc1C ZINC000084057454 568790347 /nfs/dbraw/zinc/79/03/47/568790347.db2.gz WPGUDHVYNCCMNT-UHFFFAOYSA-N 0 0 428.286 3.710 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccccc1OC ZINC000004781537 568792154 /nfs/dbraw/zinc/79/21/54/568792154.db2.gz KUJHEMGTCFQFDX-UYAOXDASSA-N 0 0 428.529 3.737 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(OCC)c(OCC)c4)c(=O)n3n2)cc1 ZINC000016731392 568792556 /nfs/dbraw/zinc/79/25/56/568792556.db2.gz YNWIKESCPXYMGC-XSFVSMFZSA-N 0 0 437.521 3.562 50 0 IHAARN C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015496381 568792961 /nfs/dbraw/zinc/79/29/61/568792961.db2.gz JJDYYKWTVOVYIN-SNVBAGLBSA-N 0 0 434.447 3.875 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422142 568793410 /nfs/dbraw/zinc/79/34/10/568793410.db2.gz JRAFBWGZIKTGRK-HXUWFJFHSA-N 0 0 426.494 3.687 50 0 IHAARN Cc1c(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)sc2nc(C)cc(C)c12 ZINC000084114791 568793597 /nfs/dbraw/zinc/79/35/97/568793597.db2.gz LJUMWTBXXJQNLY-OAHLLOKOSA-N 0 0 432.343 3.940 50 0 IHAARN O=S1(=O)c2cccc3cccc(c23)N1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000001423866 568793630 /nfs/dbraw/zinc/79/36/30/568793630.db2.gz UQTHDQHZZUWXMX-UHFFFAOYSA-N 0 0 436.514 3.711 50 0 IHAARN CN1C2=C(C(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2)[C@@H](c2ccc(O)cc2)NC1=O ZINC000001432658 568795186 /nfs/dbraw/zinc/79/51/86/568795186.db2.gz IWQYKCPWYLSARW-QGZVFWFLSA-N 0 0 435.814 3.557 50 0 IHAARN Cc1nc2ccccc2c(=O)n1CCCC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000084290415 568797053 /nfs/dbraw/zinc/79/70/53/568797053.db2.gz VGKMKDGAMANWNU-UHFFFAOYSA-N 0 0 433.552 3.819 50 0 IHAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000084493846 568798227 /nfs/dbraw/zinc/79/82/27/568798227.db2.gz BGWCMTKOCCUWGR-XMMPIXPASA-N 0 0 431.536 3.751 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@H]1CCSc2ccccc21 ZINC000084579002 568798794 /nfs/dbraw/zinc/79/87/94/568798794.db2.gz GNUPXYDHYNIPBF-ZDUSSCGKSA-N 0 0 449.326 3.512 50 0 IHAARN O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000084613416 568799078 /nfs/dbraw/zinc/79/90/78/568799078.db2.gz QTYJCLZQZZGPSQ-MRXNPFEDSA-N 0 0 435.355 3.617 50 0 IHAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc43)CC1)C2=O ZINC000084735458 568800500 /nfs/dbraw/zinc/80/05/00/568800500.db2.gz AIRBDZQUKDCQLD-UHFFFAOYSA-N 0 0 436.556 3.765 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000084774003 568801304 /nfs/dbraw/zinc/80/13/04/568801304.db2.gz LROAHZZMBHUNIR-KRWDZBQOSA-N 0 0 436.961 3.664 50 0 IHAARN Cc1ccc2c(c1)N(CCCC(=O)NCc1ccc3c(c1)OCO3)C(=O)c1cccnc1O2 ZINC000015680057 568805834 /nfs/dbraw/zinc/80/58/34/568805834.db2.gz UAMUHBVMVRWWAV-UHFFFAOYSA-N 0 0 445.475 3.968 50 0 IHAARN CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C ZINC000015705043 568807510 /nfs/dbraw/zinc/80/75/10/568807510.db2.gz UQVHAUSXEQAKRN-IBGZPJMESA-N 0 0 437.949 3.548 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCCc1ccco1 ZINC000015722423 568812081 /nfs/dbraw/zinc/81/20/81/568812081.db2.gz KAVFEVHVXMICDD-UHFFFAOYSA-N 0 0 443.569 3.548 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1cccs1 ZINC000015722552 568812115 /nfs/dbraw/zinc/81/21/15/568812115.db2.gz HOVDBYXUECIBQF-UHFFFAOYSA-N 0 0 431.583 3.584 50 0 IHAARN O=C1CCSc2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2N1 ZINC000015728391 568813156 /nfs/dbraw/zinc/81/31/56/568813156.db2.gz YGRFPMYAEJALQC-UHFFFAOYSA-N 0 0 431.308 3.823 50 0 IHAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCC1 ZINC000015727897 568813160 /nfs/dbraw/zinc/81/31/60/568813160.db2.gz XURWPXGKWSJQMY-UHFFFAOYSA-N 0 0 435.480 3.753 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)N3CCCCC3)Cc3ccccc3)cc2s1 ZINC000015733716 568816129 /nfs/dbraw/zinc/81/61/29/568816129.db2.gz RUEUGNAZEAHYPJ-UHFFFAOYSA-N 0 0 443.594 3.808 50 0 IHAARN O=C([C@@H]1CCC(=O)N1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392586 568816948 /nfs/dbraw/zinc/81/69/48/568816948.db2.gz NJJKDSPTFLLICU-QHCPKHFHSA-N 0 0 426.520 3.836 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc21 ZINC000025988740 568819644 /nfs/dbraw/zinc/81/96/44/568819644.db2.gz LLMOSCKVWZCMDZ-UHFFFAOYSA-N 0 0 427.504 3.820 50 0 IHAARN O=C(NCc1cccc(Br)c1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770318 568822376 /nfs/dbraw/zinc/82/23/76/568822376.db2.gz LWRMHWWFGXGIIP-UHFFFAOYSA-N 0 0 431.359 3.987 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)cc2=O)s1 ZINC000015771683 568822578 /nfs/dbraw/zinc/82/25/78/568822578.db2.gz DFVWPPPFHXJIOV-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN CCc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)cc1 ZINC000015776713 568823984 /nfs/dbraw/zinc/82/39/84/568823984.db2.gz DLVXWNKKYOFBBP-UHFFFAOYSA-N 0 0 444.495 3.599 50 0 IHAARN CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015781107 568825549 /nfs/dbraw/zinc/82/55/49/568825549.db2.gz YJECUMQVBHRBIM-NRFANRHFSA-N 0 0 429.494 3.632 50 0 IHAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCCc3ccccc3)N2C1=O ZINC000015783588 568827018 /nfs/dbraw/zinc/82/70/18/568827018.db2.gz VOSWZKJJKCHBGB-UZLBHIALSA-N 0 0 434.565 3.782 50 0 IHAARN CC(C)c1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)N4CCCCC4)nc23)cc1 ZINC000085644491 568829525 /nfs/dbraw/zinc/82/95/25/568829525.db2.gz BJBZMDKJOWTHDI-UHFFFAOYSA-N 0 0 445.523 3.972 50 0 IHAARN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCCC2 ZINC000001119935 568836684 /nfs/dbraw/zinc/83/66/84/568836684.db2.gz UGIPXELUWRIPDG-IBGZPJMESA-N 0 0 449.532 3.730 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000012857785 568840392 /nfs/dbraw/zinc/84/03/92/568840392.db2.gz JBBICJCZWHMEMB-OSGXGRJZSA-N 0 0 428.573 3.720 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cc(C)cc(C)c1 ZINC000015861074 568848040 /nfs/dbraw/zinc/84/80/40/568848040.db2.gz FVPBJHNWDNDVLU-UHFFFAOYSA-N 0 0 446.617 3.688 50 0 IHAARN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863271 568849045 /nfs/dbraw/zinc/84/90/45/568849045.db2.gz NGKHEFARYWIZGI-UHFFFAOYSA-N 0 0 449.530 3.854 50 0 IHAARN COc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NCc4ccco4)n32)cc1 ZINC000015868031 568851498 /nfs/dbraw/zinc/85/14/98/568851498.db2.gz SKNAEUOWLRKDPA-UHFFFAOYSA-N 0 0 445.504 3.955 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nn2)cc1 ZINC000015882303 568856355 /nfs/dbraw/zinc/85/63/55/568856355.db2.gz YKROLRPIRPMQPP-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN COc1ccc(OC)c2sc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc21 ZINC000015882428 568856479 /nfs/dbraw/zinc/85/64/79/568856479.db2.gz NINNOSCSMGCJRX-UHFFFAOYSA-N 0 0 440.550 3.886 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1Cl ZINC000015882760 568857284 /nfs/dbraw/zinc/85/72/84/568857284.db2.gz SMFAFZHPCWYPOM-UHFFFAOYSA-N 0 0 440.956 3.868 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc(Cl)cc1 ZINC000015882770 568857424 /nfs/dbraw/zinc/85/74/24/568857424.db2.gz GKZBEXZDUXWCQO-UHFFFAOYSA-N 0 0 426.929 3.560 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(I)c1 ZINC000015999569 568862235 /nfs/dbraw/zinc/86/22/35/568862235.db2.gz LXMQXRUFVJFJMK-UHFFFAOYSA-N 0 0 437.205 3.540 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000102050296 568866098 /nfs/dbraw/zinc/86/60/98/568866098.db2.gz VMZBZFJGHWKWHN-RHIYTYFCSA-N 0 0 433.464 3.706 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1Br ZINC000012938556 568867805 /nfs/dbraw/zinc/86/78/05/568867805.db2.gz QKQKBZSERXXBQW-TXEJJXNPSA-N 0 0 440.363 3.776 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)c(C)c1 ZINC000016047560 568869071 /nfs/dbraw/zinc/86/90/71/568869071.db2.gz SKRPRDAQRGCXTK-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)s1 ZINC000016047717 568869180 /nfs/dbraw/zinc/86/91/80/568869180.db2.gz XSUIUBOZYNWMKG-UHFFFAOYSA-N 0 0 431.495 3.578 50 0 IHAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sccc1C(N)=O ZINC000016053491 568869623 /nfs/dbraw/zinc/86/96/23/568869623.db2.gz VQVJCIKDOIVNTR-ZDUSSCGKSA-N 0 0 442.468 3.749 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000016086025 568870159 /nfs/dbraw/zinc/87/01/59/568870159.db2.gz SVEZHQLCAOVDEZ-UHFFFAOYSA-N 0 0 449.729 3.809 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012949293 568871772 /nfs/dbraw/zinc/87/17/72/568871772.db2.gz DGFCRQOZDSZYJS-IBGZPJMESA-N 0 0 446.960 3.739 50 0 IHAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000006191136 568876423 /nfs/dbraw/zinc/87/64/23/568876423.db2.gz PRZHDBGANNMRLL-UHFFFAOYSA-N 0 0 447.497 3.835 50 0 IHAARN O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000575610179 568878841 /nfs/dbraw/zinc/87/88/41/568878841.db2.gz LPQVLFFHCJJDOL-AWEZNQCLSA-N 0 0 433.429 3.919 50 0 IHAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575610772 568879250 /nfs/dbraw/zinc/87/92/50/568879250.db2.gz YPNHPVWEICQRNE-OAHLLOKOSA-N 0 0 435.855 3.522 50 0 IHAARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006232866 568880651 /nfs/dbraw/zinc/88/06/51/568880651.db2.gz SJEDGNXTYBINAW-NSYGIPOTSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575616990 568881664 /nfs/dbraw/zinc/88/16/64/568881664.db2.gz LXUZTYDUQUJKAT-QGZVFWFLSA-N 0 0 449.985 3.898 50 0 IHAARN CCN(Cc1ccccc1)C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccccc2)C1=O ZINC000575616793 568881756 /nfs/dbraw/zinc/88/17/56/568881756.db2.gz ZWPOXMWHYYTMDP-UHFFFAOYSA-N 0 0 449.532 3.871 50 0 IHAARN Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000090592639 568888682 /nfs/dbraw/zinc/88/86/82/568888682.db2.gz FYXPYHXNAUIOOZ-UHFFFAOYSA-N 0 0 447.607 3.895 50 0 IHAARN CC1CCN(c2cc(NC(=O)c3cc4cc(Br)ccc4oc3=O)ncn2)CC1 ZINC000090592338 568888686 /nfs/dbraw/zinc/88/86/86/568888686.db2.gz CCPOFCZDQRWTSS-UHFFFAOYSA-N 0 0 443.301 3.834 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607533 568889893 /nfs/dbraw/zinc/88/98/93/568889893.db2.gz KZSSZYNDXWROBD-UHFFFAOYSA-N 0 0 430.224 3.942 50 0 IHAARN COc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c(=O)oc21 ZINC000090607574 568889902 /nfs/dbraw/zinc/88/99/02/568889902.db2.gz LQNCZXNNOZXMSX-UHFFFAOYSA-N 0 0 448.397 3.899 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012978013 568891364 /nfs/dbraw/zinc/89/13/64/568891364.db2.gz KGGBVDZNIDRWLF-UHFFFAOYSA-N 0 0 448.350 3.909 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1c2csnc2c(=O)n(Cc2cccc(C)c2)c1=O ZINC000090610257 568892164 /nfs/dbraw/zinc/89/21/64/568892164.db2.gz OJQXAOKWQGBZAJ-UHFFFAOYSA-N 0 0 444.516 3.988 50 0 IHAARN C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012980288 568892248 /nfs/dbraw/zinc/89/22/48/568892248.db2.gz YPRDDIOPXFXYKZ-OAHLLOKOSA-N 0 0 433.464 3.705 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1OC(F)F ZINC000013149165 568892812 /nfs/dbraw/zinc/89/28/12/568892812.db2.gz LBWCLCVVNRQUCL-WJDWOHSUSA-N 0 0 436.411 3.893 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012981985 568894559 /nfs/dbraw/zinc/89/45/59/568894559.db2.gz VEZMPDWVTHHJIJ-OAHLLOKOSA-N 0 0 435.615 3.906 50 0 IHAARN O=S(=O)(c1ccc2oc(Nc3cc(Cl)cc(Cl)c3)nc2c1)N1CCOCC1 ZINC000012986736 568895107 /nfs/dbraw/zinc/89/51/07/568895107.db2.gz RDIVYRXLEPGAIV-UHFFFAOYSA-N 0 0 428.297 3.899 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012983812 568895495 /nfs/dbraw/zinc/89/54/95/568895495.db2.gz JZUWDAPZMDTMSI-FQEVSTJZSA-N 0 0 426.542 3.610 50 0 IHAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(Cl)c1 ZINC000013002601 568898365 /nfs/dbraw/zinc/89/83/65/568898365.db2.gz QCMARTFMRMNDNC-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2Cc2ccccc2)C1=O ZINC000013002819 568898499 /nfs/dbraw/zinc/89/84/99/568898499.db2.gz HQOGIRVKJUSQPN-AREMUKBSSA-N 0 0 443.503 3.545 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000013005689 568899382 /nfs/dbraw/zinc/89/93/82/568899382.db2.gz ACSPPFZXIFDAPZ-UHFFFAOYSA-N 0 0 442.468 3.594 50 0 IHAARN CCOC(=O)c1sc2nc(C)n(CC(=O)N[C@H](C)c3cccc(Cl)c3)c(=O)c2c1C ZINC000013009660 568899976 /nfs/dbraw/zinc/89/99/76/568899976.db2.gz SDTGUJQFVGFDAX-GFCCVEGCSA-N 0 0 447.944 3.782 50 0 IHAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000013011995 568900990 /nfs/dbraw/zinc/90/09/90/568900990.db2.gz YFTLIQXWFQNWCG-UHFFFAOYSA-N 0 0 444.944 3.981 50 0 IHAARN C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F ZINC000013011612 568901022 /nfs/dbraw/zinc/90/10/22/568901022.db2.gz TZVHDBSOZUODAO-LLVKDONJSA-N 0 0 425.361 3.854 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000013012767 568901181 /nfs/dbraw/zinc/90/11/81/568901181.db2.gz XMUGXOPNYKFKBT-UHFFFAOYSA-N 0 0 440.912 3.884 50 0 IHAARN CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000390832891 568909621 /nfs/dbraw/zinc/90/96/21/568909621.db2.gz SMBKYFJNGJMPPQ-OKZBNKHCSA-N 0 0 439.597 3.785 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000238937219 568910315 /nfs/dbraw/zinc/91/03/15/568910315.db2.gz UITDEGKNHFENLB-ZRBLBEILSA-N 0 0 442.471 3.833 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@H]1C ZINC000242088019 568912587 /nfs/dbraw/zinc/91/25/87/568912587.db2.gz WBDQSMOUSQSXQC-CQIJRDABSA-N 0 0 436.552 3.512 50 0 IHAARN C[C@@H]1CCC[C@@H]([N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000242339133 568912735 /nfs/dbraw/zinc/91/27/35/568912735.db2.gz ZFEVUIHAYNXJLX-LLGFUMIMSA-N 0 0 437.540 3.780 50 0 IHAARN COc1ccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1OC(F)F ZINC000089340163 568921079 /nfs/dbraw/zinc/92/10/79/568921079.db2.gz WEZSGJFPUATIMA-OAHLLOKOSA-N 0 0 441.500 3.895 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000001917064 568922676 /nfs/dbraw/zinc/92/26/76/568922676.db2.gz UYCZFEXXAIKZDR-GOSISDBHSA-N 0 0 449.290 3.796 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000001917062 568922680 /nfs/dbraw/zinc/92/26/80/568922680.db2.gz UYCZFEXXAIKZDR-SFHVURJKSA-N 0 0 449.290 3.796 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)cc1 ZINC000089444082 568925218 /nfs/dbraw/zinc/92/52/18/568925218.db2.gz XPBAPYFFCFTXBK-UHFFFAOYSA-N 0 0 445.548 3.989 50 0 IHAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O ZINC000064438447 568928276 /nfs/dbraw/zinc/92/82/76/568928276.db2.gz WIGNFXSPQUILIB-UHFFFAOYSA-N 0 0 439.531 3.683 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3C)no2)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 ZINC000064439196 568928375 /nfs/dbraw/zinc/92/83/75/568928375.db2.gz CMASWPQOQRWRJK-UHFFFAOYSA-N 0 0 449.536 3.851 50 0 IHAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000035908685 568931168 /nfs/dbraw/zinc/93/11/68/568931168.db2.gz JVVKTAVBVQFKFI-UHFFFAOYSA-N 0 0 435.576 3.707 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000064566191 568933029 /nfs/dbraw/zinc/93/30/29/568933029.db2.gz TUYDPVILVHTOLX-UHFFFAOYSA-N 0 0 443.482 3.893 50 0 IHAARN COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)O2)c1OC(C)=O ZINC000064567816 568933887 /nfs/dbraw/zinc/93/38/87/568933887.db2.gz XGVJONDOMFQXEI-IBGZPJMESA-N 0 0 433.258 3.622 50 0 IHAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccc6F)CC5)n3n2)CCC4)cc1 ZINC000064592860 568935632 /nfs/dbraw/zinc/93/56/32/568935632.db2.gz LKUBKNREIPHHSE-UHFFFAOYSA-N 0 0 442.542 3.978 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4cc(C)ccc4C)nnc3c2=O)cc1 ZINC000064593818 568936160 /nfs/dbraw/zinc/93/61/60/568936160.db2.gz XDYLQMWTQBSCCU-UHFFFAOYSA-N 0 0 434.521 3.871 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)C3 ZINC000101449107 568936791 /nfs/dbraw/zinc/93/67/91/568936791.db2.gz WCEUJLYEPYEUSC-FQEVSTJZSA-N 0 0 427.863 3.659 50 0 biogenic IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(C)c(C)cc2N1 ZINC000064661194 568942515 /nfs/dbraw/zinc/94/25/15/568942515.db2.gz YTGBALWZHULZRD-UHFFFAOYSA-N 0 0 427.888 3.801 50 0 IHAARN CCOc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000064665620 568942792 /nfs/dbraw/zinc/94/27/92/568942792.db2.gz GJZSPKDMPDVYGY-UHFFFAOYSA-N 0 0 432.524 3.566 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)NC(C)C)cc1 ZINC000036043189 568944220 /nfs/dbraw/zinc/94/42/20/568944220.db2.gz CGOUDRDYLGOCMP-BXKMTCNYSA-N 0 0 441.572 3.908 50 0 IHAARN CCN(C)C(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2F)n1 ZINC000036065794 568945106 /nfs/dbraw/zinc/94/51/06/568945106.db2.gz KFTSLFCRJARNDO-UHFFFAOYSA-N 0 0 425.460 3.837 50 0 IHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)C4CCC4)C(C)C)CC3)nn2)cc1 ZINC000036070071 568945557 /nfs/dbraw/zinc/94/55/57/568945557.db2.gz GXSQPBLAQXARFN-UHFFFAOYSA-N 0 0 449.599 3.528 50 0 IHAARN CN1CCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3ccccc3Cl)n2)CC1 ZINC000036072276 568946101 /nfs/dbraw/zinc/94/61/01/568946101.db2.gz XXIHKLBXUBVKBJ-UHFFFAOYSA-N 0 0 438.959 3.918 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2OC)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083470 568947205 /nfs/dbraw/zinc/94/72/05/568947205.db2.gz RNHQLRAYZOXVCR-FQEVSTJZSA-N 0 0 430.888 3.941 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)c(OC)c1 ZINC000064746856 568949594 /nfs/dbraw/zinc/94/95/94/568949594.db2.gz XZFGEKBXSLHXBP-UHFFFAOYSA-N 0 0 438.509 3.587 50 0 IHAARN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000064758867 568951606 /nfs/dbraw/zinc/95/16/06/568951606.db2.gz UMEUQHIUXZOLEV-UHFFFAOYSA-N 0 0 440.551 3.856 50 0 IHAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000064759212 568951778 /nfs/dbraw/zinc/95/17/78/568951778.db2.gz AJZVYDOXDUWPER-UHFFFAOYSA-N 0 0 431.452 3.574 50 0 IHAARN CCN1c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2Sc2ncccc2C1=O ZINC000064759617 568951980 /nfs/dbraw/zinc/95/19/80/568951980.db2.gz DFMFIDXRKGNRPR-UHFFFAOYSA-N 0 0 433.489 3.872 50 0 IHAARN CCN1c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2-c2ccccc2S1(=O)=O ZINC000064762042 568952626 /nfs/dbraw/zinc/95/26/26/568952626.db2.gz RNICWXAIJCEWHZ-UHFFFAOYSA-N 0 0 436.489 3.906 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000064775307 568954522 /nfs/dbraw/zinc/95/45/22/568954522.db2.gz MXUCBAJOPZZEBC-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)c2cc(C)c(C)cc2N1 ZINC000064775381 568954548 /nfs/dbraw/zinc/95/45/48/568954548.db2.gz ATVWHFCWAQSVDJ-UHFFFAOYSA-N 0 0 449.507 3.740 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(OC)cc4OC)c(=O)[nH]c3C2)cc1 ZINC000064775504 568954701 /nfs/dbraw/zinc/95/47/01/568954701.db2.gz RPKHCTYSEYVURQ-OAHLLOKOSA-N 0 0 448.475 3.566 50 0 IHAARN COCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)C1CCCC1 ZINC000036114923 568955265 /nfs/dbraw/zinc/95/52/65/568955265.db2.gz MDDGQOSCZSZWTN-UHFFFAOYSA-N 0 0 434.558 3.905 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1 ZINC000036117346 568955774 /nfs/dbraw/zinc/95/57/74/568955774.db2.gz KKGFBLGTWCBNFD-HXUWFJFHSA-N 0 0 428.554 3.663 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036119987 568956978 /nfs/dbraw/zinc/95/69/78/568956978.db2.gz IRBBBWAITXRGBI-NRFANRHFSA-N 0 0 444.597 3.836 50 0 IHAARN Cc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791075 568957317 /nfs/dbraw/zinc/95/73/17/568957317.db2.gz RAKLIZLLHACQFD-UHFFFAOYSA-N 0 0 427.390 3.564 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120497 568957534 /nfs/dbraw/zinc/95/75/34/568957534.db2.gz VYJXGORKSPCFBZ-IBGZPJMESA-N 0 0 448.560 3.667 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036120984 568957663 /nfs/dbraw/zinc/95/76/63/568957663.db2.gz PZWWUWNANVJUHK-HXUWFJFHSA-N 0 0 448.560 3.667 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC(C)C ZINC000036121328 568957843 /nfs/dbraw/zinc/95/78/43/568957843.db2.gz SFKUFLBPVMHBKI-HXUWFJFHSA-N 0 0 448.560 3.523 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1 ZINC000036122836 568958374 /nfs/dbraw/zinc/95/83/74/568958374.db2.gz KVZYMRURINCNAZ-FQEVSTJZSA-N 0 0 427.570 3.755 50 0 IHAARN Cc1ccc(-c2cnn(CC(=O)Nc3ccc(Br)c(C)c3C)c(=O)n2)cc1 ZINC000064812951 568963156 /nfs/dbraw/zinc/96/31/56/568963156.db2.gz LEXMQPUGYVFQAS-UHFFFAOYSA-N 0 0 427.302 3.632 50 0 IHAARN Cc1ccccc1-c1noc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)n1 ZINC000064818119 568965115 /nfs/dbraw/zinc/96/51/15/568965115.db2.gz QANLKRLIPHDQRK-UHFFFAOYSA-N 0 0 449.530 3.749 50 0 IHAARN Cc1ccccc1OC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)C ZINC000036159508 568967106 /nfs/dbraw/zinc/96/71/06/568967106.db2.gz XSYKZUNFAQNVAY-QGZVFWFLSA-N 0 0 441.597 3.680 50 0 IHAARN Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(Br)cc3)no2)cc1 ZINC000064841259 568970169 /nfs/dbraw/zinc/97/01/69/568970169.db2.gz LLMVEQWTYCXSEK-UHFFFAOYSA-N 0 0 436.331 3.671 50 0 IHAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2ccc(F)c(Cl)c2)no1 ZINC000064841728 568970402 /nfs/dbraw/zinc/97/04/02/568970402.db2.gz ICNUGIMZDSZCMD-UHFFFAOYSA-N 0 0 439.896 3.613 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842391 568970883 /nfs/dbraw/zinc/97/08/83/568970883.db2.gz LJSOKRNKNHSPIE-FQEVSTJZSA-N 0 0 446.507 3.944 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)c1cccn1-2 ZINC000064848064 568971381 /nfs/dbraw/zinc/97/13/81/568971381.db2.gz PFHFSQSQPKMFHA-UHFFFAOYSA-N 0 0 445.491 3.870 50 0 biogenic IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)CC1 ZINC000064845026 568971686 /nfs/dbraw/zinc/97/16/86/568971686.db2.gz JPJJRTURASADGD-UHFFFAOYSA-N 0 0 433.555 3.539 50 0 IHAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 ZINC000064861817 568973935 /nfs/dbraw/zinc/97/39/35/568973935.db2.gz HMRDKXUCHIVUPT-UHFFFAOYSA-N 0 0 427.448 3.988 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000036212213 568976025 /nfs/dbraw/zinc/97/60/25/568976025.db2.gz JQCROLPFJKSAPA-XMMPIXPASA-N 0 0 447.579 3.577 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036213194 568976793 /nfs/dbraw/zinc/97/67/93/568976793.db2.gz BYESFYAALAXSMD-RDPSFJRHSA-N 0 0 449.595 3.869 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000036235080 568979013 /nfs/dbraw/zinc/97/90/13/568979013.db2.gz DGZNEEXFDZFMIO-KRWDZBQOSA-N 0 0 449.594 3.835 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(C)cc(C)c1 ZINC000064889062 568980137 /nfs/dbraw/zinc/98/01/37/568980137.db2.gz CRTGZCCFNZPCMS-UHFFFAOYSA-N 0 0 428.558 3.712 50 0 IHAARN CCCn1c2ccc(-c3noc([C@H](NC(=O)c4ccco4)C(C)C)n3)cc2nc(C)c1=O ZINC000064890392 568981301 /nfs/dbraw/zinc/98/13/01/568981301.db2.gz FSPWTIAPFIQCFZ-LJQANCHMSA-N 0 0 435.484 3.885 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000064891835 568982788 /nfs/dbraw/zinc/98/27/88/568982788.db2.gz QOVGFMHCEUGLMH-UHFFFAOYSA-N 0 0 428.851 3.625 50 0 IHAARN CC(C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251881 568984046 /nfs/dbraw/zinc/98/40/46/568984046.db2.gz PCSWMIYODQWCPW-LJQANCHMSA-N 0 0 426.388 3.835 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036253014 568984370 /nfs/dbraw/zinc/98/43/70/568984370.db2.gz KIXALAUGWKYEJE-VWLOTQADSA-N 0 0 433.596 3.671 50 0 IHAARN CCCCc1ccc(C(=O)N2CCN([C@@H](C(=O)NCC3CC3)C3CCCC3)CC2)cc1 ZINC000036254540 568984819 /nfs/dbraw/zinc/98/48/19/568984819.db2.gz CPHACTQPBSWWCR-XMMPIXPASA-N 0 0 425.617 3.872 50 0 IHAARN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(C)n2C)c(C)c1 ZINC000064922715 568986049 /nfs/dbraw/zinc/98/60/49/568986049.db2.gz RINVFYAATDAXJW-UHFFFAOYSA-N 0 0 446.617 3.915 50 0 IHAARN Cc1ccc(-n2nc(N3CCC(C(=O)NC4CCCCC4)CC3)ccc2=O)cc1Cl ZINC000064927884 568986697 /nfs/dbraw/zinc/98/66/97/568986697.db2.gz XWVPRSGSTIWDBY-UHFFFAOYSA-N 0 0 428.964 3.860 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927473 568987163 /nfs/dbraw/zinc/98/71/63/568987163.db2.gz GFZRSSGZUJVSJE-UHFFFAOYSA-N 0 0 436.487 3.544 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928378 568987583 /nfs/dbraw/zinc/98/75/83/568987583.db2.gz PEVWDIVQZKRXDE-HNNXBMFYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(COc1ccccc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929950 568988355 /nfs/dbraw/zinc/98/83/55/568988355.db2.gz RBENHGFQIIKULA-QGZVFWFLSA-N 0 0 426.473 3.672 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000064941009 568989418 /nfs/dbraw/zinc/98/94/18/568989418.db2.gz DUTICQICAPVCDP-INIZCTEOSA-N 0 0 448.957 3.970 50 0 IHAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169677865 568990165 /nfs/dbraw/zinc/99/01/65/568990165.db2.gz SXZFEQNHHKIKGS-UTKZUKDTSA-N 0 0 433.449 3.991 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680293 568990768 /nfs/dbraw/zinc/99/07/68/568990768.db2.gz VGYANSGEGOPGGT-GAJHUEQPSA-N 0 0 443.588 3.550 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000169681095 568991481 /nfs/dbraw/zinc/99/14/81/568991481.db2.gz KGEPYKIDTNNBDM-UHFFFAOYSA-N 0 0 439.537 3.521 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)Nc1ccccc1C(F)(F)F ZINC000064945675 568992925 /nfs/dbraw/zinc/99/29/25/568992925.db2.gz MPIFIRSPLRTURU-UHFFFAOYSA-N 0 0 447.442 3.642 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@@H](C)CC4 ZINC000064945962 568993946 /nfs/dbraw/zinc/99/39/46/568993946.db2.gz LXAJJFFVSMPXCU-NSHDSACASA-N 0 0 441.944 3.831 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2ccc(C)cc2)no1 ZINC000064948497 568994402 /nfs/dbraw/zinc/99/44/02/568994402.db2.gz ORTGPXIBGUDCBD-UHFFFAOYSA-N 0 0 439.493 3.788 50 0 IHAARN COc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)c1 ZINC000064947460 568995144 /nfs/dbraw/zinc/99/51/44/568995144.db2.gz KHIPAGRECVCBJE-UHFFFAOYSA-N 0 0 428.495 3.694 50 0 IHAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)C2=O)cc1 ZINC000064950704 568996106 /nfs/dbraw/zinc/99/61/06/568996106.db2.gz JECHQQXMDSCZLR-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)cc1 ZINC000064950734 568996108 /nfs/dbraw/zinc/99/61/08/568996108.db2.gz CPTINHSOOITJPC-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1Cl ZINC000064952119 568997368 /nfs/dbraw/zinc/99/73/68/568997368.db2.gz RWPUORBUQJXMBN-UHFFFAOYSA-N 0 0 426.947 3.998 50 0 IHAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)cc21 ZINC000064952303 568998405 /nfs/dbraw/zinc/99/84/05/568998405.db2.gz ZKCDTDYGDPZIDM-UHFFFAOYSA-N 0 0 434.583 3.801 50 0 IHAARN CSc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3=O)cc1 ZINC000064959716 569000064 /nfs/dbraw/zinc/00/00/64/569000064.db2.gz JXMZDLSUXNWYPM-UHFFFAOYSA-N 0 0 438.528 3.720 50 0 IHAARN CSc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000064959774 569000067 /nfs/dbraw/zinc/00/00/67/569000067.db2.gz WBQSUXLDJNATRW-UHFFFAOYSA-N 0 0 434.565 3.890 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1C ZINC000064960742 569000509 /nfs/dbraw/zinc/00/05/09/569000509.db2.gz HGSBUPKFURYLGI-UHFFFAOYSA-N 0 0 441.509 3.650 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCc1ccccc1F ZINC000064971401 569076277 /nfs/dbraw/zinc/07/62/77/569076277.db2.gz GSDLUNVEDKAWAH-UHFFFAOYSA-N 0 0 432.455 3.527 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCc1ccccc1 ZINC000064971532 569076728 /nfs/dbraw/zinc/07/67/28/569076728.db2.gz AHDPYACPLLMBDQ-UHFFFAOYSA-N 0 0 432.455 3.527 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972103 569076748 /nfs/dbraw/zinc/07/67/48/569076748.db2.gz FINSVGQWOUGNLR-JOCHJYFZSA-N 0 0 440.952 3.772 50 0 IHAARN Cc1ccccc1CNC(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000064971584 569076771 /nfs/dbraw/zinc/07/67/71/569076771.db2.gz GQKKKBQRGIAKGI-UHFFFAOYSA-N 0 0 446.482 3.836 50 0 IHAARN COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000064979555 569078212 /nfs/dbraw/zinc/07/82/12/569078212.db2.gz GGLCTFDWZVKWIB-KRWDZBQOSA-N 0 0 427.526 3.558 50 0 IHAARN Cc1cccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccccc3F)C2)c1 ZINC000036343026 569079578 /nfs/dbraw/zinc/07/95/78/569079578.db2.gz LXACXDPHJQFSEG-QHCPKHFHSA-N 0 0 437.515 3.651 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccccc3F)C2)cc1 ZINC000036343019 569079643 /nfs/dbraw/zinc/07/96/43/569079643.db2.gz FYFXPQVSJWFIHY-QHCPKHFHSA-N 0 0 437.515 3.651 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036347061 569081517 /nfs/dbraw/zinc/08/15/17/569081517.db2.gz LENWKPJPXXJLLU-NRFANRHFSA-N 0 0 435.996 3.592 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064985951 569082130 /nfs/dbraw/zinc/08/21/30/569082130.db2.gz RIJMSPAJBFBFRN-QHCPKHFHSA-N 0 0 436.533 3.576 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(N3CCCC3)cc1O2 ZINC000064986736 569082373 /nfs/dbraw/zinc/08/23/73/569082373.db2.gz UMGAOVLTLXEEHY-UHFFFAOYSA-N 0 0 427.526 3.738 50 0 IHAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1C ZINC000064988073 569082787 /nfs/dbraw/zinc/08/27/87/569082787.db2.gz MTTOIFCFQJOTLT-AWEZNQCLSA-N 0 0 431.514 3.806 50 0 IHAARN COc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064989955 569083118 /nfs/dbraw/zinc/08/31/18/569083118.db2.gz UPZGXIUMQSJMER-UHFFFAOYSA-N 0 0 430.504 3.766 50 0 IHAARN O=C(NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1)Nc1ccc(F)c(Cl)c1 ZINC000064991491 569083661 /nfs/dbraw/zinc/08/36/61/569083661.db2.gz QVVZVHPZOFTKSL-UHFFFAOYSA-N 0 0 449.851 3.633 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)CCCn3sc4ccccc4c3=O)s2)cc1 ZINC000036353898 569084032 /nfs/dbraw/zinc/08/40/32/569084032.db2.gz HFIJJPPMURCAQU-UHFFFAOYSA-N 0 0 440.550 3.933 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000064991587 569084604 /nfs/dbraw/zinc/08/46/04/569084604.db2.gz FMPDLIBLEPOLKT-UHFFFAOYSA-N 0 0 430.555 3.503 50 0 IHAARN COc1ccc(-c2nc(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)cs2)cc1OC ZINC000036357563 569085155 /nfs/dbraw/zinc/08/51/55/569085155.db2.gz NYCSXTLCDBNGQV-AWEZNQCLSA-N 0 0 432.527 3.712 50 0 IHAARN CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3Br)no2)c1=O ZINC000064998923 569085497 /nfs/dbraw/zinc/08/54/97/569085497.db2.gz UHZLEWMGWKSJPN-UHFFFAOYSA-N 0 0 441.285 3.605 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc2c1OCCO2 ZINC000036360470 569086376 /nfs/dbraw/zinc/08/63/76/569086376.db2.gz LJDNGBGKWIUIAC-GFCCVEGCSA-N 0 0 427.848 3.528 50 0 IHAARN Cc1sc2nc(CSCCNC(=O)Cc3c(F)cccc3Cl)[nH]c(=O)c2c1C ZINC000036360530 569086400 /nfs/dbraw/zinc/08/64/00/569086400.db2.gz AQUUVEXMYVGAKE-UHFFFAOYSA-N 0 0 439.965 3.986 50 0 IHAARN COCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005523 569087140 /nfs/dbraw/zinc/08/71/40/569087140.db2.gz CGSYJXQEAGEYIC-UHFFFAOYSA-N 0 0 435.524 3.890 50 0 IHAARN COc1cc(NC(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc(OC)c1 ZINC000065007911 569087381 /nfs/dbraw/zinc/08/73/81/569087381.db2.gz UUJIOTXPJHJALH-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1OC ZINC000065007758 569087701 /nfs/dbraw/zinc/08/77/01/569087701.db2.gz VHZIQDGKYYFMFK-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036369952 569088590 /nfs/dbraw/zinc/08/85/90/569088590.db2.gz VWWFRLDCDJZHLH-UHFFFAOYSA-N 0 0 435.484 3.571 50 0 biogenic IHAARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc21 ZINC000065020955 569088722 /nfs/dbraw/zinc/08/87/22/569088722.db2.gz QXXRFGSVQMSGCO-UHFFFAOYSA-N 0 0 437.359 3.572 50 0 IHAARN CCOc1ccccc1CNC(=O)COc1nc(C)nc2onc(-c3cccc(F)c3)c21 ZINC000065024854 569089687 /nfs/dbraw/zinc/08/96/87/569089687.db2.gz ZSUXPTZXVLCLCE-UHFFFAOYSA-N 0 0 436.443 3.826 50 0 IHAARN COc1cccc(NC(=O)CSc2ccc(N3CCN(c4cccc(C)c4)CC3)nn2)c1 ZINC000065026136 569090997 /nfs/dbraw/zinc/09/09/97/569090997.db2.gz DIEXPEGDJNQQIA-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN COc1cccc(Cn2nnc3cc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc32)c1 ZINC000065030359 569091214 /nfs/dbraw/zinc/09/12/14/569091214.db2.gz WZJHYGOETQKXJG-UHFFFAOYSA-N 0 0 448.479 3.766 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030714 569091307 /nfs/dbraw/zinc/09/13/07/569091307.db2.gz FUDKOFOOZPULSN-UHFFFAOYSA-N 0 0 437.569 3.766 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)c2cc(Cl)ccc2n1 ZINC000065033404 569091569 /nfs/dbraw/zinc/09/15/69/569091569.db2.gz JPGZGCKGPKPRSO-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1Cl ZINC000065034611 569092067 /nfs/dbraw/zinc/09/20/67/569092067.db2.gz JVNABXBGFRJGFM-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)c(=O)c2c1 ZINC000065034778 569092319 /nfs/dbraw/zinc/09/23/19/569092319.db2.gz ZLQUPPDQLVWTPY-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccccc1C(F)(F)F ZINC000036386774 569093327 /nfs/dbraw/zinc/09/33/27/569093327.db2.gz DHZWMXVNWOZBDC-UHFFFAOYSA-N 0 0 437.487 3.652 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000169758948 569093890 /nfs/dbraw/zinc/09/38/90/569093890.db2.gz AGCVETOJFAJMED-QFIPXVFZSA-N 0 0 430.508 3.646 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c1 ZINC000169754950 569093897 /nfs/dbraw/zinc/09/38/97/569093897.db2.gz PESUHPRMPPGUKM-UHFFFAOYSA-N 0 0 428.330 3.980 50 0 IHAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c(OC)c1 ZINC000169759663 569094020 /nfs/dbraw/zinc/09/40/20/569094020.db2.gz OCQCMSMBWWNEKY-OAQYLSRUSA-N 0 0 427.888 3.755 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc(Br)o3)C2)c1 ZINC000065058246 569095590 /nfs/dbraw/zinc/09/55/90/569095590.db2.gz SBFNHQPSSRLVKZ-HXUWFJFHSA-N 0 0 435.318 3.609 50 0 IHAARN CCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059838 569095641 /nfs/dbraw/zinc/09/56/41/569095641.db2.gz FXJPFVOGSRRZKP-UHFFFAOYSA-N 0 0 429.473 3.954 50 0 IHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059486 569096052 /nfs/dbraw/zinc/09/60/52/569096052.db2.gz LZJILEDCLGFXAO-GOSISDBHSA-N 0 0 430.954 3.648 50 0 IHAARN CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 ZINC000036391300 569097137 /nfs/dbraw/zinc/09/71/37/569097137.db2.gz KCVKDJSGGBXGGK-UHFFFAOYSA-N 0 0 441.528 3.681 50 0 IHAARN CCc1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)cc1 ZINC000169769964 569098192 /nfs/dbraw/zinc/09/81/92/569098192.db2.gz LBBMPIALMCQXNS-UHFFFAOYSA-N 0 0 428.330 3.925 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000036392232 569098268 /nfs/dbraw/zinc/09/82/68/569098268.db2.gz BIBJYQHIPCFJFW-UHFFFAOYSA-N 0 0 449.579 3.959 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000036393292 569098450 /nfs/dbraw/zinc/09/84/50/569098450.db2.gz DENCGBNHKFJSLL-UHFFFAOYSA-N 0 0 438.837 3.803 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000036394842 569098745 /nfs/dbraw/zinc/09/87/45/569098745.db2.gz WFSICGTXXZILCE-UHFFFAOYSA-N 0 0 426.494 3.822 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc21)N1CCCCC1 ZINC000065076005 569099167 /nfs/dbraw/zinc/09/91/67/569099167.db2.gz YOSLMCWOJZCCBY-UHFFFAOYSA-N 0 0 438.438 3.829 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1cccc(Cl)c1 ZINC000065075671 569099668 /nfs/dbraw/zinc/09/96/68/569099668.db2.gz JQVIRNIJRALSJC-UHFFFAOYSA-N 0 0 426.908 3.579 50 0 IHAARN CSc1cccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000065075726 569099764 /nfs/dbraw/zinc/09/97/64/569099764.db2.gz PHVUIGXLWSAFNW-UHFFFAOYSA-N 0 0 438.557 3.647 50 0 IHAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000065078205 569100849 /nfs/dbraw/zinc/10/08/49/569100849.db2.gz SVQVWEOYLQDKIK-CQSZACIVSA-N 0 0 432.567 3.732 50 0 IHAARN COc1cccc(CNC(=O)Cc2csc3nc(-c4ccc(OC)c(OC)c4)cn23)c1 ZINC000065079516 569100932 /nfs/dbraw/zinc/10/09/32/569100932.db2.gz WSPVGEZLPBOJLR-UHFFFAOYSA-N 0 0 437.521 3.948 50 0 IHAARN C[C@@H](CNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1)c1ccccc1 ZINC000169775255 569101758 /nfs/dbraw/zinc/10/17/58/569101758.db2.gz RUCWDBQFLQKBAK-IBGZPJMESA-N 0 0 440.547 3.957 50 0 IHAARN O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccc(F)cc1Cl ZINC000169775638 569101820 /nfs/dbraw/zinc/10/18/20/569101820.db2.gz TYYGYCZOUXAQID-UHFFFAOYSA-N 0 0 428.826 3.525 50 0 IHAARN O=C(c1cc(F)ccc1Cl)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778014 569102533 /nfs/dbraw/zinc/10/25/33/569102533.db2.gz FQXAKZZFLOUYCA-OAHLLOKOSA-N 0 0 438.850 3.875 50 0 IHAARN CCN1c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000169780570 569103054 /nfs/dbraw/zinc/10/30/54/569103054.db2.gz BRQVYQWJNKRYLB-HSZRJFAPSA-N 0 0 434.540 3.568 50 0 IHAARN COc1ccc(CC(=O)N2CCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)CC2)cc1 ZINC000065111515 569106075 /nfs/dbraw/zinc/10/60/75/569106075.db2.gz YRWVESVKIIJTGF-UHFFFAOYSA-N 0 0 434.496 3.652 50 0 IHAARN Cc1nc(-c2csc(S(=O)(=O)N3CCCCC3)c2)sc1C(=O)N1CCCC1 ZINC000065117028 569107424 /nfs/dbraw/zinc/10/74/24/569107424.db2.gz TZTNEPOVAQRDKF-UHFFFAOYSA-N 0 0 425.601 3.591 50 0 IHAARN CCCCC1CCC(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000006917204 569108655 /nfs/dbraw/zinc/10/86/55/569108655.db2.gz CHAGWLLQOLPRII-UHFFFAOYSA-N 0 0 427.545 3.963 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)C(=O)C3=O)cc2)cc1 ZINC000065130149 569109067 /nfs/dbraw/zinc/10/90/67/569109067.db2.gz UFUNNKNJOKZHLR-UHFFFAOYSA-N 0 0 443.503 3.713 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)c1C ZINC000065130274 569109186 /nfs/dbraw/zinc/10/91/86/569109186.db2.gz LJJVPLWGYUCQHO-UHFFFAOYSA-N 0 0 441.531 3.927 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000065131184 569109277 /nfs/dbraw/zinc/10/92/77/569109277.db2.gz ZHEYPQSCDSIVJL-UHFFFAOYSA-N 0 0 432.933 3.809 50 0 IHAARN O=C(NCCC1=CCCCC1)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 ZINC000065131280 569109374 /nfs/dbraw/zinc/10/93/74/569109374.db2.gz CGZSAFGDJWKFIM-UHFFFAOYSA-N 0 0 442.585 3.667 50 0 IHAARN CCC(C)(C)NS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)n(C)c1 ZINC000065137516 569110376 /nfs/dbraw/zinc/11/03/76/569110376.db2.gz VQBMIVCTANAEDP-UHFFFAOYSA-N 0 0 438.619 3.550 50 0 IHAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1C ZINC000006931411 569110867 /nfs/dbraw/zinc/11/08/67/569110867.db2.gz LZVZIVJQWHLOCA-UHFFFAOYSA-N 0 0 425.554 3.923 50 0 IHAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)NCCC3=CCCCC3)nc12 ZINC000065151097 569111615 /nfs/dbraw/zinc/11/16/15/569111615.db2.gz OQSZZHJVJDPOAE-UHFFFAOYSA-N 0 0 437.569 3.611 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NCCC4=CCCCC4)nc23)c(C)c1 ZINC000065151089 569111621 /nfs/dbraw/zinc/11/16/21/569111621.db2.gz ZVTNJPJUZOLVMS-UHFFFAOYSA-N 0 0 437.569 3.666 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4CC)nccn3c2=O)c1 ZINC000065151027 569111656 /nfs/dbraw/zinc/11/16/56/569111656.db2.gz QQYDHDIFXFSGLU-UHFFFAOYSA-N 0 0 433.537 3.806 50 0 IHAARN O=C(CN1c2ccccc2[C@@](O)(c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065155713 569111953 /nfs/dbraw/zinc/11/19/53/569111953.db2.gz MUSIHEDTWYQYOH-QFIPXVFZSA-N 0 0 426.394 3.927 50 0 IHAARN CC(C)Cn1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c2cccnc21 ZINC000065163277 569112466 /nfs/dbraw/zinc/11/24/66/569112466.db2.gz OTXZHFCYDZOCRG-UHFFFAOYSA-N 0 0 436.375 3.976 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1 ZINC000065166271 569112539 /nfs/dbraw/zinc/11/25/39/569112539.db2.gz QGDKGTWLFPEIDX-UHFFFAOYSA-N 0 0 427.932 3.845 50 0 IHAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1 ZINC000065166263 569112592 /nfs/dbraw/zinc/11/25/92/569112592.db2.gz VYSLOUGYVMVUFH-UHFFFAOYSA-N 0 0 445.922 3.984 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)cc1Cl ZINC000065171029 569112824 /nfs/dbraw/zinc/11/28/24/569112824.db2.gz MWFQNKDSEJRUMA-UHFFFAOYSA-N 0 0 441.900 3.524 50 0 IHAARN COc1ccccc1CNC(=O)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165643 569112984 /nfs/dbraw/zinc/11/29/84/569112984.db2.gz OJRPUGBOFKSSSA-UHFFFAOYSA-N 0 0 426.567 3.697 50 0 IHAARN Cc1cccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)c1 ZINC000065183487 569113973 /nfs/dbraw/zinc/11/39/73/569113973.db2.gz BWUWSEVFOJGFPD-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 ZINC000065185974 569114607 /nfs/dbraw/zinc/11/46/07/569114607.db2.gz SBKQUVYMMHOJSB-UHFFFAOYSA-N 0 0 447.495 3.801 50 0 IHAARN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1F ZINC000065198900 569114942 /nfs/dbraw/zinc/11/49/42/569114942.db2.gz UIQOGHZZKHIEFV-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196561 569115661 /nfs/dbraw/zinc/11/56/61/569115661.db2.gz IYKXJWDSNHMFHM-UHFFFAOYSA-N 0 0 428.279 3.812 50 0 IHAARN COc1ccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)cc1OC ZINC000065210043 569116568 /nfs/dbraw/zinc/11/65/68/569116568.db2.gz RACGVSXFILEPFJ-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4cc(F)cc(F)c4)cs3)CC2)c1 ZINC000065211586 569116599 /nfs/dbraw/zinc/11/65/99/569116599.db2.gz SBAHBHNGGFJACA-UHFFFAOYSA-N 0 0 444.507 3.687 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c(C)c1 ZINC000065241552 569118798 /nfs/dbraw/zinc/11/87/98/569118798.db2.gz WIPGFSTYTRLMLF-UHFFFAOYSA-N 0 0 425.466 3.582 50 0 IHAARN COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3C)cc1OC ZINC000065235450 569119278 /nfs/dbraw/zinc/11/92/78/569119278.db2.gz VWTLYFNBCPDAAD-UHFFFAOYSA-N 0 0 444.919 3.561 50 0 biogenic IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1Cl ZINC000036579994 569119771 /nfs/dbraw/zinc/11/97/71/569119771.db2.gz VPPKLSZRKSVNNW-CTNGQTDRSA-N 0 0 438.915 3.505 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239485 569120574 /nfs/dbraw/zinc/12/05/74/569120574.db2.gz HHQVDWJPGOUWND-UHFFFAOYSA-N 0 0 443.594 3.686 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)c3cc(-c4ccco4)nn3c3ncccc32)cc1Cl ZINC000065240274 569120770 /nfs/dbraw/zinc/12/07/70/569120770.db2.gz MODRWKNKANWVKI-UHFFFAOYSA-N 0 0 449.854 3.605 50 0 IHAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c2)o1 ZINC000065246603 569121934 /nfs/dbraw/zinc/12/19/34/569121934.db2.gz IMXMLFJABPKSMI-UHFFFAOYSA-N 0 0 436.921 3.617 50 0 IHAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c(C)n1 ZINC000036616384 569122852 /nfs/dbraw/zinc/12/28/52/569122852.db2.gz JFBJAXJOJSHFHS-CQSZACIVSA-N 0 0 432.528 3.968 50 0 IHAARN COc1cccc(CCC(=O)N2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065258091 569124341 /nfs/dbraw/zinc/12/43/41/569124341.db2.gz KLVIBTJBVWKHKV-UHFFFAOYSA-N 0 0 447.539 3.689 50 0 IHAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccccc3OCC)CC2)n1 ZINC000065258071 569124348 /nfs/dbraw/zinc/12/43/48/569124348.db2.gz DTWJOOLHHKLPFV-UHFFFAOYSA-N 0 0 435.528 3.835 50 0 IHAARN CCOC(=O)C1=C(NC(=O)C=Cc2ccc(OC)cc2OC)Nc2ccccc2N=C1C ZINC000013122077 569125163 /nfs/dbraw/zinc/12/51/63/569125163.db2.gz BKFINEZYZMXQBP-ACCUITESSA-N 0 0 435.480 3.826 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)cc1 ZINC000065271297 569127693 /nfs/dbraw/zinc/12/76/93/569127693.db2.gz CKYMGVPZRQUOHK-SFHVURJKSA-N 0 0 429.480 3.598 50 0 IHAARN Cc1ccc(N2CCN(C(=O)CCC3CCN(c4cc(NC5CC5)ncn4)CC3)CC2)cc1 ZINC000065274155 569128317 /nfs/dbraw/zinc/12/83/17/569128317.db2.gz QRICTEGFUWYXIS-UHFFFAOYSA-N 0 0 448.615 3.705 50 0 IHAARN O=C(C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1)N1CCOCC1 ZINC000065272102 569128962 /nfs/dbraw/zinc/12/89/62/569128962.db2.gz GXQSZRZCEFVEAF-UHFFFAOYSA-N 0 0 426.517 3.573 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273222 569129333 /nfs/dbraw/zinc/12/93/33/569129333.db2.gz CVOXGICBHFEKNO-GOSISDBHSA-N 0 0 446.613 3.671 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cc(C)ccc2C)CC3)CC1 ZINC000065273445 569129463 /nfs/dbraw/zinc/12/94/63/569129463.db2.gz YIJDDORQKPZPRO-KRWDZBQOSA-N 0 0 426.586 3.562 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000036646819 569130446 /nfs/dbraw/zinc/13/04/46/569130446.db2.gz LDFZOLULELSWOX-UHFFFAOYSA-N 0 0 432.310 3.907 50 0 IHAARN C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccn1 ZINC000065307600 569132559 /nfs/dbraw/zinc/13/25/59/569132559.db2.gz RFBFFSCGUAETHD-WMZOPIPTSA-N 0 0 432.528 3.888 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000065318805 569134348 /nfs/dbraw/zinc/13/43/48/569134348.db2.gz ASYKWDJRYOQXNA-UHFFFAOYSA-N 0 0 446.916 3.735 50 0 IHAARN Cn1c(=O)c2sc(N3CCCCC3)nc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000065319468 569134884 /nfs/dbraw/zinc/13/48/84/569134884.db2.gz PWXVBGLEQFBXLM-UHFFFAOYSA-N 0 0 449.989 3.765 50 0 IHAARN Cc1ccc(/C=C\S(=O)(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000036701792 569135648 /nfs/dbraw/zinc/13/56/48/569135648.db2.gz HRJRUOBDEQLVAW-ATVHPVEESA-N 0 0 438.528 3.714 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nc2nc(N3CCC(C)CC3)sc2c1=O ZINC000065319624 569135914 /nfs/dbraw/zinc/13/59/14/569135914.db2.gz YXTGRPSIOCCLOA-UHFFFAOYSA-N 0 0 449.646 3.650 50 0 IHAARN O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)N1CCc2ccccc21 ZINC000036708515 569135923 /nfs/dbraw/zinc/13/59/23/569135923.db2.gz QVVOTDZREZGLIV-UHFFFAOYSA-N 0 0 449.555 3.624 50 0 IHAARN CC(C)n1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)NC1CCCC1 ZINC000065319751 569135938 /nfs/dbraw/zinc/13/59/38/569135938.db2.gz VGMADZRFFHTMDX-UHFFFAOYSA-N 0 0 449.646 3.821 50 0 IHAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccccc1F ZINC000065319958 569136033 /nfs/dbraw/zinc/13/60/33/569136033.db2.gz YFXGPBWSUCVBFH-UHFFFAOYSA-N 0 0 447.561 3.904 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2CC ZINC000065322162 569136654 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Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccc(F)cc4)ncn3)C[C@@H]2C)cc1 ZINC000037342256 569159967 /nfs/dbraw/zinc/15/99/67/569159967.db2.gz ULDJPHOPSYNOHE-KRWDZBQOSA-N 0 0 442.516 3.616 50 0 IHAARN Cc1ccc(C)c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000089626314 569160149 /nfs/dbraw/zinc/16/01/49/569160149.db2.gz PZCSLRKTKALARH-UHFFFAOYSA-N 0 0 432.611 3.545 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000089662332 569160959 /nfs/dbraw/zinc/16/09/59/569160959.db2.gz BLBCPFQBRMRXIS-QUCCMNQESA-N 0 0 426.517 3.535 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccccc1OCc1ccccc1 ZINC000089688811 569161204 /nfs/dbraw/zinc/16/12/04/569161204.db2.gz USOZSRWQRXBLIU-UHFFFAOYSA-N 0 0 446.503 3.794 50 0 IHAARN O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000016844259 569163776 /nfs/dbraw/zinc/16/37/76/569163776.db2.gz NODZFSWUIZDOSK-UHFFFAOYSA-N 0 0 445.541 3.650 50 0 IHAARN O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n2nc(-c3ccco3)cc12 ZINC000016844179 569163808 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442.493 3.691 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cnn(Cc2ccccc2)c1 ZINC000089960701 569169086 /nfs/dbraw/zinc/16/90/86/569169086.db2.gz QIKXAVKFHDGXKN-UHFFFAOYSA-N 0 0 441.582 3.631 50 0 IHAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@H](C)S(=O)(=O)C(C)C ZINC000089960797 569169088 /nfs/dbraw/zinc/16/90/88/569169088.db2.gz JKSPPFLYESLBCL-LRDDRELGSA-N 0 0 438.373 3.658 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)c(C)c1 ZINC000016994286 569169817 /nfs/dbraw/zinc/16/98/17/569169817.db2.gz IYEGQAQLTQLMTN-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)c1 ZINC000017010596 569170354 /nfs/dbraw/zinc/17/03/54/569170354.db2.gz FYUGQCOIMJTJFR-UHFFFAOYSA-N 0 0 432.524 3.571 50 0 IHAARN O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000017051678 569171876 /nfs/dbraw/zinc/17/18/76/569171876.db2.gz ICJMYCDTEVDHAA-UHFFFAOYSA-N 0 0 432.904 3.779 50 0 IHAARN Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C ZINC000017053297 569172001 /nfs/dbraw/zinc/17/20/01/569172001.db2.gz DCJPBRKAIYQCOR-INIZCTEOSA-N 0 0 446.554 3.597 50 0 IHAARN O=C1C[C@H](Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000017102315 569173995 /nfs/dbraw/zinc/17/39/95/569173995.db2.gz TXRVWKQQQKQKPP-FQEVSTJZSA-N 0 0 438.530 3.912 50 0 IHAARN COc1cccc(NC2CCN(C(=O)c3cc(Br)cnc3N(C)C)CC2)c1 ZINC000170633762 569174054 /nfs/dbraw/zinc/17/40/54/569174054.db2.gz FJCWHNJPEJLTKQ-UHFFFAOYSA-N 0 0 433.350 3.635 50 0 IHAARN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000017119894 569174130 /nfs/dbraw/zinc/17/41/30/569174130.db2.gz HTVSIDJMKRGMCO-UHFFFAOYSA-N 0 0 448.379 3.889 50 0 IHAARN O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)NC1CCCCC1 ZINC000017156106 569175095 /nfs/dbraw/zinc/17/50/95/569175095.db2.gz VMSIFVBRVFTTAV-UHFFFAOYSA-N 0 0 445.564 3.628 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000017179084 569175677 /nfs/dbraw/zinc/17/56/77/569175677.db2.gz AOLDGTFQFYRJGQ-UHFFFAOYSA-N 0 0 446.429 3.824 50 0 IHAARN O=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCCc2ccccc21 ZINC000009211304 569176007 /nfs/dbraw/zinc/17/60/07/569176007.db2.gz VDSZZZFUFAPODG-UHFFFAOYSA-N 0 0 430.556 3.749 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001079501 569176739 /nfs/dbraw/zinc/17/67/39/569176739.db2.gz OCNJZTHUJHRVMX-ZDUSSCGKSA-N 0 0 426.897 3.527 50 0 IHAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002095826 569179260 /nfs/dbraw/zinc/17/92/60/569179260.db2.gz TZGIIMFWLXQLBG-GOSISDBHSA-N 0 0 443.521 3.635 50 0 biogenic IHAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002095827 569179310 /nfs/dbraw/zinc/17/93/10/569179310.db2.gz TZGIIMFWLXQLBG-SFHVURJKSA-N 0 0 443.521 3.635 50 0 biogenic IHAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(C)C)CC(=O)N12 ZINC000002110971 569181995 /nfs/dbraw/zinc/18/19/95/569181995.db2.gz JLUBURQLXZTLBR-SQJMNOBHSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 ZINC000002116803 569182447 /nfs/dbraw/zinc/18/24/47/569182447.db2.gz WWFBZEVRTRVXLX-OFVILXPXSA-N 0 0 441.487 3.655 50 0 biogenic IHAARN CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]1c1coc2ccccc2c1=O ZINC000252427624 569183297 /nfs/dbraw/zinc/18/32/97/569183297.db2.gz ADZJARQMKWNYLU-SCTDSRPQSA-N 0 0 445.258 3.576 50 0 IHAARN COc1cc(-c2cc(C(=O)NC[C@H]3CCCN3c3ccccc3)[nH]n2)cc(OC)c1OC ZINC000207992573 569183701 /nfs/dbraw/zinc/18/37/01/569183701.db2.gz OSBRZEBEHCTYIH-GOSISDBHSA-N 0 0 436.512 3.501 50 0 IHAARN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COc1c(Br)cccc1Br ZINC000252475096 569185659 /nfs/dbraw/zinc/18/56/59/569185659.db2.gz SOUHREYBVACSKN-JTQLQIEISA-N 0 0 443.139 3.819 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc1=O ZINC000002145445 569186894 /nfs/dbraw/zinc/18/68/94/569186894.db2.gz QUPTWAFBHZFWEG-UHFFFAOYSA-N 0 0 445.265 3.841 50 0 biogenic IHAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002154334 569187398 /nfs/dbraw/zinc/18/73/98/569187398.db2.gz TWOWLNZKJAGDBM-JUCRVNNTSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN CCO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 ZINC000252516601 569189232 /nfs/dbraw/zinc/18/92/32/569189232.db2.gz UZWVKMVWWQKSCP-GCJKJVERSA-N 0 0 430.570 3.757 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)c1 ZINC000170651380 569189560 /nfs/dbraw/zinc/18/95/60/569189560.db2.gz WDKVUQKEKLSGJI-STZFKDTASA-N 0 0 437.521 3.851 50 0 IHAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H](O)c1ccccc1 ZINC000252536362 569189920 /nfs/dbraw/zinc/18/99/20/569189920.db2.gz IGQUPIFQSDQYJO-NDXORKPFSA-N 0 0 445.357 3.676 50 0 IHAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2cccnc2)cs1 ZINC000252537012 569189996 /nfs/dbraw/zinc/18/99/96/569189996.db2.gz KDVGEMIJIKCXPY-OAHLLOKOSA-N 0 0 441.900 3.512 50 0 IHAARN CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000252572411 569191165 /nfs/dbraw/zinc/19/11/65/569191165.db2.gz ZFXYKRPAKCFLKF-WOJBJXKFSA-N 0 0 447.539 3.957 50 0 IHAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000002195136 569191322 /nfs/dbraw/zinc/19/13/22/569191322.db2.gz PHPLQFPFPFAINY-OAHLLOKOSA-N 0 0 435.915 3.777 50 0 IHAARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000037381151 569191912 /nfs/dbraw/zinc/19/19/12/569191912.db2.gz CMUXOMPUPCOFSG-OAQYLSRUSA-N 0 0 425.960 3.802 50 0 IHAARN CC(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000002200486 569192371 /nfs/dbraw/zinc/19/23/71/569192371.db2.gz VEHFNSIIBBAEQH-WVKNIADZSA-N 0 0 426.948 3.693 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2Cl)c1 ZINC000037400073 569194783 /nfs/dbraw/zinc/19/47/83/569194783.db2.gz NXOIXSXNLNVXGY-SFHVURJKSA-N 0 0 437.945 3.890 50 0 IHAARN O=C(C1CCC1)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037400860 569195010 /nfs/dbraw/zinc/19/50/10/569195010.db2.gz KOULUBINXOQTQD-FQEVSTJZSA-N 0 0 447.528 3.901 50 0 IHAARN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000037427860 569195861 /nfs/dbraw/zinc/19/58/61/569195861.db2.gz NIUPMPADWHJMER-HHWUPMRNSA-N 0 0 437.565 3.917 50 0 IHAARN COCC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000037441538 569196878 /nfs/dbraw/zinc/19/68/78/569196878.db2.gz XGOFLCIBYVGJCH-SFHVURJKSA-N 0 0 432.904 3.525 50 0 IHAARN CC(C)CNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(C(C)C)c3)cc21 ZINC000037513003 569198173 /nfs/dbraw/zinc/19/81/73/569198173.db2.gz VNNRIIUZUXGEIS-UHFFFAOYSA-N 0 0 438.524 3.569 50 0 IHAARN C[C@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)COc1ccc(Cl)cc1 ZINC000037522136 569198291 /nfs/dbraw/zinc/19/82/91/569198291.db2.gz HECRZRJJNQUNDA-ZDUSSCGKSA-N 0 0 437.721 3.745 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(CN2C(=O)C[C@@H](c3ccc(F)cc3)NC2=O)c1 ZINC000037553961 569200345 /nfs/dbraw/zinc/20/03/45/569200345.db2.gz YHGZTOUOZMUGOU-QFIPXVFZSA-N 0 0 431.467 3.939 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1 ZINC000037555002 569200479 /nfs/dbraw/zinc/20/04/79/569200479.db2.gz TZSDZSSSQYGPRT-UHFFFAOYSA-N 0 0 432.915 3.771 50 0 IHAARN COc1ccccc1C(=O)N1CCCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1 ZINC000037554611 569200488 /nfs/dbraw/zinc/20/04/88/569200488.db2.gz YPWPJIWAJHISOZ-UHFFFAOYSA-N 0 0 442.523 3.516 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000252635077 569207961 /nfs/dbraw/zinc/20/79/61/569207961.db2.gz WUOXUMCZTWXYRA-KTMOQPAGSA-N 0 0 444.556 3.772 50 0 IHAARN CCN(CCCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000002234122 569211202 /nfs/dbraw/zinc/21/12/02/569211202.db2.gz JFMDWSBXJYVELU-UHFFFAOYSA-N 0 0 433.508 3.595 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)CS(=O)(=O)C2 ZINC000003008458 569213030 /nfs/dbraw/zinc/21/30/30/569213030.db2.gz HPKMQUGYKLIATJ-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl ZINC000002257804 569215344 /nfs/dbraw/zinc/21/53/44/569215344.db2.gz PTMJCYVJVQEGHS-ZUZCIYMTSA-N 0 0 429.325 3.832 50 0 IHAARN O=C(COc1ccccc1)N1CCC2(C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000012190923 569256635 /nfs/dbraw/zinc/25/66/35/569256635.db2.gz HXLQPYGLPMNDCY-JOCHJYFZSA-N 0 0 431.536 3.534 50 0 IHAARN CC(C)CN(CCC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000019927545 569257305 /nfs/dbraw/zinc/25/73/05/569257305.db2.gz NCJQEFPORIQLAC-UHFFFAOYSA-N 0 0 445.423 3.744 50 0 IHAARN N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000136712389 569258781 /nfs/dbraw/zinc/25/87/81/569258781.db2.gz GUNDCJVNWMXBOG-FGZHOGPDSA-N 0 0 441.622 3.799 50 0 IHAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257357615 569263843 /nfs/dbraw/zinc/26/38/43/569263843.db2.gz PBLXVDNSLUFVHF-YHXMXXGOSA-N 0 0 446.628 3.944 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000002288656 569264127 /nfs/dbraw/zinc/26/41/27/569264127.db2.gz CRQFEECLVFPIJZ-AWXDTPSPSA-N 0 0 448.519 3.603 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1C(=O)Nc2c1ccc(Cl)c2Cl ZINC000253395266 569264590 /nfs/dbraw/zinc/26/45/90/569264590.db2.gz RVANFVFOQJVRHU-INIZCTEOSA-N 0 0 427.671 3.770 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000012076506 569264802 /nfs/dbraw/zinc/26/48/02/569264802.db2.gz QXINEBYSEBPHCZ-AREMUKBSSA-N 0 0 436.552 3.590 50 0 IHAARN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(-n4ccnc4)nc3)cccc21 ZINC000253427412 569267402 /nfs/dbraw/zinc/26/74/02/569267402.db2.gz TZAYVXSXQHNKIP-UHFFFAOYSA-N 0 0 433.512 3.885 50 0 IHAARN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3Br)cc21 ZINC000253428735 569267657 /nfs/dbraw/zinc/26/76/57/569267657.db2.gz NZGBBARJTPFZEX-UHFFFAOYSA-N 0 0 430.711 3.528 50 0 IHAARN CCc1cc2c3c(c1)C(CN1CCN(c4ccccc4F)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495526 569283216 /nfs/dbraw/zinc/28/32/16/569283216.db2.gz HQFJZRFCAPUVSR-UHFFFAOYSA-N 0 0 433.527 3.915 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O ZINC000252506587 569288054 /nfs/dbraw/zinc/28/80/54/569288054.db2.gz WBEIBLAEUZKUHK-XMSQKQJNSA-N 0 0 449.551 3.941 50 0 IHAARN COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC ZINC000002365980 569288307 /nfs/dbraw/zinc/28/83/07/569288307.db2.gz YJCLNMFONCIAIZ-LSDHHAIUSA-N 0 0 430.306 3.786 50 0 IHAARN CCOc1ccccc1/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O ZINC000002369408 569288817 /nfs/dbraw/zinc/28/88/17/569288817.db2.gz MURLOQKHWZTJAZ-WJDWOHSUSA-N 0 0 428.311 3.527 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000002376435 569289441 /nfs/dbraw/zinc/28/94/41/569289441.db2.gz INQRXZWPBQIBRX-UHFFFAOYSA-N 0 0 436.310 3.600 50 0 IHAARN Cc1ccc(-c2nc(NC=C3C(=O)NC(=S)NC3=O)sc2-c2ccc(C)cc2)cc1 ZINC000013131944 569289583 /nfs/dbraw/zinc/28/95/83/569289583.db2.gz VXYXPGNOEMIKIR-UHFFFAOYSA-N 0 0 434.546 3.921 50 0 IHAARN CCc1ccc(O)c(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n[nH]2)c1 ZINC000027756281 569296727 /nfs/dbraw/zinc/29/67/27/569296727.db2.gz DPIIBNXFTCNHAI-UHFFFAOYSA-N 0 0 442.522 3.610 50 0 IHAARN CCCOC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002398100 569298514 /nfs/dbraw/zinc/29/85/14/569298514.db2.gz HRRGBZPQTFHPLQ-UHFFFAOYSA-N 0 0 434.496 3.993 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000002413352 569301174 /nfs/dbraw/zinc/30/11/74/569301174.db2.gz ASSVVNNWGICOBX-MRXNPFEDSA-N 0 0 437.340 3.783 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000013031569 569307470 /nfs/dbraw/zinc/30/74/70/569307470.db2.gz PEHFNIIGCMFRTL-UHFFFAOYSA-N 0 0 446.613 3.902 50 0 IHAARN CCOc1ccc(C(C)=O)cc1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000013038008 569307696 /nfs/dbraw/zinc/30/76/96/569307696.db2.gz RYBHGNAKUPOCEG-UHFFFAOYSA-N 0 0 444.597 3.918 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000013039309 569307886 /nfs/dbraw/zinc/30/78/86/569307886.db2.gz BYHPXVZHBFCAHD-UHFFFAOYSA-N 0 0 448.894 3.744 50 0 IHAARN NC(=O)N1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000013041826 569308219 /nfs/dbraw/zinc/30/82/19/569308219.db2.gz DIFNAKTVWTVMSS-UHFFFAOYSA-N 0 0 434.418 3.687 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000013042330 569308282 /nfs/dbraw/zinc/30/82/82/569308282.db2.gz NYVPCNYAEWKANG-KXBFYZLASA-N 0 0 434.533 3.621 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)c(OC)c1 ZINC000013060171 569308515 /nfs/dbraw/zinc/30/85/15/569308515.db2.gz WAJKHIDJEULDDH-UHFFFAOYSA-N 0 0 427.530 3.530 50 0 IHAARN Cc1cc(C)nc(SCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)n1 ZINC000013063166 569308684 /nfs/dbraw/zinc/30/86/84/569308684.db2.gz VSABXKOFHYYDRQ-UHFFFAOYSA-N 0 0 442.566 3.875 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccc(C(C)C)cc2)c1 ZINC000013097178 569309705 /nfs/dbraw/zinc/30/97/05/569309705.db2.gz UYCYBHPYLLSTEP-UHFFFAOYSA-N 0 0 431.602 3.911 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/nfs/dbraw/zinc/31/44/67/569314467.db2.gz NVEAILBSBJXEAB-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN COc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2/C=C/N(C)C)cc1 ZINC000013394777 569315355 /nfs/dbraw/zinc/31/53/55/569315355.db2.gz YIHJDZJJZCVALG-OUKQBFOZSA-N 0 0 432.402 3.938 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)cc1O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019316757 569318088 /nfs/dbraw/zinc/31/80/88/569318088.db2.gz IYXDDPMWXIPQCF-UHFFFAOYSA-N 0 0 442.821 3.570 50 0 IHAARN CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000078903432 569320207 /nfs/dbraw/zinc/32/02/07/569320207.db2.gz QGINRLRRAWNGQX-ZDUSSCGKSA-N 0 0 445.392 3.770 50 0 IHAARN Cc1ccccc1-c1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cn1 ZINC000019534847 569320838 /nfs/dbraw/zinc/32/08/38/569320838.db2.gz YAMUJXLFPWVUJE-NRFANRHFSA-N 0 0 438.522 3.799 50 0 IHAARN CCc1cccc(NC(=O)CN2C[C@@H]3CCCN(CC(=O)Nc4cccc(CC)c4)[C@@H]3C2)c1 ZINC000078969670 569321033 /nfs/dbraw/zinc/32/10/33/569321033.db2.gz ULOXRNPXIVZOEU-WIOPSUGQSA-N 0 0 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CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095389750 569363291 /nfs/dbraw/zinc/36/32/91/569363291.db2.gz VNZWCGWQGRAVTO-UHFFFAOYSA-N 0 0 438.495 3.789 50 0 IHAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O ZINC000095405520 569364460 /nfs/dbraw/zinc/36/44/60/569364460.db2.gz KWZCAMFASZLIQG-HJPURHCSSA-N 0 0 449.523 3.600 50 0 IHAARN O=C(Nc1cc(Br)ccc1N1CCCC1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000095418804 569365490 /nfs/dbraw/zinc/36/54/90/569365490.db2.gz BEBHPYSSRAZVKC-UHFFFAOYSA-N 0 0 449.393 3.916 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](C)C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC000095423963 569365775 /nfs/dbraw/zinc/36/57/75/569365775.db2.gz DVICZQUJNXXGCL-SZNDQCEHSA-N 0 0 427.472 3.810 50 0 IHAARN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000095432475 569366513 /nfs/dbraw/zinc/36/65/13/569366513.db2.gz RNMXDBLEJUHJQU-XMSQKQJNSA-N 0 0 440.588 3.578 50 0 IHAARN CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 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ZINC000096315847 569392784 /nfs/dbraw/zinc/39/27/84/569392784.db2.gz IIACGBQFCRVFDK-FPLPWBNLSA-N 0 0 432.952 3.966 50 0 IHAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000096316792 569392859 /nfs/dbraw/zinc/39/28/59/569392859.db2.gz JSOAOGZJBOWSGN-UHFFFAOYSA-N 0 0 440.563 3.925 50 0 IHAARN CC[C@@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096316966 569393087 /nfs/dbraw/zinc/39/30/87/569393087.db2.gz HSOQBNCFZRPKIN-GOSISDBHSA-N 0 0 444.645 3.978 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000096317262 569393219 /nfs/dbraw/zinc/39/32/19/569393219.db2.gz SEYAYXHNOMBNRC-UHFFFAOYSA-N 0 0 430.618 3.669 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2CC(=O)NCC(C)C ZINC000096318172 569393793 /nfs/dbraw/zinc/39/37/93/569393793.db2.gz HVQKSDDQHZMSPB-UHFFFAOYSA-N 0 0 434.323 3.540 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cc(F)ccc5C)c(=O)n4ccn3n2)c1 ZINC000096322581 569394836 /nfs/dbraw/zinc/39/48/36/569394836.db2.gz 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O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096358116 569397520 /nfs/dbraw/zinc/39/75/20/569397520.db2.gz UUBUBJWVYFQCLV-UHFFFAOYSA-N 0 0 443.488 3.738 50 0 IHAARN COc1ccc(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000096386390 569398543 /nfs/dbraw/zinc/39/85/43/569398543.db2.gz XZSRRMKFERUGRN-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN COc1ccc(OC)c(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)c1 ZINC000096387045 569398789 /nfs/dbraw/zinc/39/87/89/569398789.db2.gz XEDDHPPHOHBULF-NRFANRHFSA-N 0 0 431.492 3.815 50 0 IHAARN CCc1nc2cc(N3CCC(C(=O)NCc4cc(F)ccc4F)CC3)cnc2nc1CC ZINC000096387407 569399001 /nfs/dbraw/zinc/39/90/01/569399001.db2.gz FFMPRTPGNMFPNZ-UHFFFAOYSA-N 0 0 439.510 3.961 50 0 IHAARN CCOCCC[N@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)CC1 ZINC000096399352 569399940 /nfs/dbraw/zinc/39/99/40/569399940.db2.gz TVHDCYQCDXXJBQ-UHFFFAOYSA-N 0 0 439.556 3.964 50 0 IHAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(F)c(F)c2F)cc1 ZINC000096445932 569400714 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3.982 50 0 IHAARN O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225721850 569407470 /nfs/dbraw/zinc/40/74/70/569407470.db2.gz UIAAWYWWFCTWEF-SFHVURJKSA-N 0 0 437.487 3.947 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225821742 569409123 /nfs/dbraw/zinc/40/91/23/569409123.db2.gz COPMJEQIFAJHOI-UHFFFAOYSA-N 0 0 445.441 3.708 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)cc1 ZINC000002618179 569410453 /nfs/dbraw/zinc/41/04/53/569410453.db2.gz QFPWSLTUMDGYTA-UHFFFAOYSA-N 0 0 425.462 3.768 50 0 IHAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 ZINC000002619232 569410649 /nfs/dbraw/zinc/41/06/49/569410649.db2.gz GSQFNYKHLSHSRE-UHFFFAOYSA-N 0 0 445.595 3.970 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000002622856 569411286 /nfs/dbraw/zinc/41/12/86/569411286.db2.gz ILAKEAUUBAPUTR-UHFFFAOYSA-N 0 0 427.505 3.790 50 0 IHAARN COc1ccccc1CNC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000002626969 569411812 /nfs/dbraw/zinc/41/18/12/569411812.db2.gz WYNYMLKQTKUCSM-UHFFFAOYSA-N 0 0 433.331 3.651 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002636593 569412974 /nfs/dbraw/zinc/41/29/74/569412974.db2.gz FEYPMWQUAPKTGH-NSHDSACASA-N 0 0 425.268 3.901 50 0 IHAARN Cc1nc2c(cnn2-c2ccccc2)c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000002638123 569413258 /nfs/dbraw/zinc/41/32/58/569413258.db2.gz FZOQYXCHMHVWGW-AWEZNQCLSA-N 0 0 447.520 3.650 50 0 IHAARN CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002640249 569413490 /nfs/dbraw/zinc/41/34/90/569413490.db2.gz RYOLEUCFDOEHIR-UHFFFAOYSA-N 0 0 448.310 3.532 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4c(Cl)cccc4Cl)C3=O)CC2)cc1 ZINC000215726155 569414269 /nfs/dbraw/zinc/41/42/69/569414269.db2.gz CJZTYOVIKHIQTJ-LJQANCHMSA-N 0 0 446.334 3.650 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000002661376 569416135 /nfs/dbraw/zinc/41/61/35/569416135.db2.gz PNKYCPMEPYHNHV-RVAQLADHSA-N 0 0 430.913 3.960 50 0 IHAARN COc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000002662833 569416217 /nfs/dbraw/zinc/41/62/17/569416217.db2.gz BSXGWVRTNCMBPS-DEOSSOPVSA-N 0 0 446.503 3.965 50 0 IHAARN CCn1cc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)c(C(=O)OC(C)C)n1 ZINC000002727992 569418737 /nfs/dbraw/zinc/41/87/37/569418737.db2.gz OZKZSCGEWVRZFI-UHFFFAOYSA-N 0 0 442.373 3.638 50 0 IHAARN Cn1cc(Cl)c(C(=O)Nc2cn(Cc3ccc(Cl)cc3)nc2Br)n1 ZINC000002755781 569420395 /nfs/dbraw/zinc/42/03/95/569420395.db2.gz LVHVJUKFHRMOCN-UHFFFAOYSA-N 0 0 429.105 3.987 50 0 IHAARN O=C(Cn1nnc(C(=O)c2ccccc2)c1C(=O)c1ccccc1)Nc1cccc(F)c1 ZINC000002787610 569421498 /nfs/dbraw/zinc/42/14/98/569421498.db2.gz PVGNJUVODBKOFB-UHFFFAOYSA-N 0 0 428.423 3.518 50 0 IHAARN Cn1cc(CNC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)cn1 ZINC000002793371 569422097 /nfs/dbraw/zinc/42/20/97/569422097.db2.gz SIUKHKPFHFLSDB-UHFFFAOYSA-N 0 0 440.838 3.794 50 0 IHAARN C[C@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C(N)=O)C1 ZINC000002798066 569422194 /nfs/dbraw/zinc/42/21/94/569422194.db2.gz JYGXFUCAFDMREA-LBPRGKRZSA-N 0 0 428.489 3.596 50 0 IHAARN CCN(CC)c1ncnc2sc(C(=O)NCCc3ccc(OC)c(OC)c3)c(C)c21 ZINC000002925884 569425644 /nfs/dbraw/zinc/42/56/44/569425644.db2.gz OZNOPDDSZXDAJP-UHFFFAOYSA-N 0 0 428.558 3.836 50 0 IHAARN COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002927398 569425894 /nfs/dbraw/zinc/42/58/94/569425894.db2.gz NCVBPFOPMQAWQO-UHFFFAOYSA-N 0 0 448.552 3.893 50 0 IHAARN Cc1ccc(CNC(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000002938571 569426493 /nfs/dbraw/zinc/42/64/93/569426493.db2.gz WKODFZMYDNFUBE-LJQANCHMSA-N 0 0 432.929 3.968 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C ZINC000029239068 569429306 /nfs/dbraw/zinc/42/93/06/569429306.db2.gz LPLADOACIFQCDY-OAHLLOKOSA-N 0 0 428.476 3.868 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)CC3 ZINC000057061314 569429468 /nfs/dbraw/zinc/42/94/68/569429468.db2.gz BTRKGNXYPTVYKS-UHFFFAOYSA-N 0 0 438.959 3.537 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000029482221 569430652 /nfs/dbraw/zinc/43/06/52/569430652.db2.gz JXVOVPKDANAEKI-LJQANCHMSA-N 0 0 426.538 3.802 50 0 IHAARN O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1cccc(F)c1 ZINC000227151728 569431544 /nfs/dbraw/zinc/43/15/44/569431544.db2.gz VWIQRCVQYHAPIA-UHFFFAOYSA-N 0 0 432.293 3.902 50 0 IHAARN O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1ccc(F)cc1 ZINC000227151739 569431703 /nfs/dbraw/zinc/43/17/03/569431703.db2.gz IJKUIAGERUIXPI-UHFFFAOYSA-N 0 0 432.293 3.902 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000057371895 569432593 /nfs/dbraw/zinc/43/25/93/569432593.db2.gz GCPDFACQZYCNMR-OAQYLSRUSA-N 0 0 429.520 3.852 50 0 IHAARN CC(C)CCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21 ZINC000002964433 569432845 /nfs/dbraw/zinc/43/28/45/569432845.db2.gz BIOUCMVHXXZPTI-FQEVSTJZSA-N 0 0 434.565 3.783 50 0 IHAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000057413422 569433770 /nfs/dbraw/zinc/43/37/70/569433770.db2.gz HJRWGPVJXBDBDJ-UHFFFAOYSA-N 0 0 440.503 3.917 50 0 IHAARN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415052 569434062 /nfs/dbraw/zinc/43/40/62/569434062.db2.gz GGSOQYKQDTUREA-QFIPXVFZSA-N 0 0 437.927 3.910 50 0 IHAARN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415549 569434116 /nfs/dbraw/zinc/43/41/16/569434116.db2.gz NEGPRLDWJLBYPF-HSZRJFAPSA-N 0 0 437.515 3.561 50 0 IHAARN O=C(NCc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000057416493 569434210 /nfs/dbraw/zinc/43/42/10/569434210.db2.gz KLHHACAQXSAPQI-LBPRGKRZSA-N 0 0 425.685 3.911 50 0 IHAARN O=C(NCc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000057416487 569434215 /nfs/dbraw/zinc/43/42/15/569434215.db2.gz DZAVYSTWSWKGHS-LBPRGKRZSA-N 0 0 425.685 3.911 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415627 569434228 /nfs/dbraw/zinc/43/42/28/569434228.db2.gz ILLDGSHIELSTRK-QHCPKHFHSA-N 0 0 435.499 3.786 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2cc(C)on2)c1 ZINC000057426146 569434512 /nfs/dbraw/zinc/43/45/12/569434512.db2.gz HKBARSLYYIXWJR-UHFFFAOYSA-N 0 0 442.522 3.542 50 0 IHAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000057427101 569434798 /nfs/dbraw/zinc/43/47/98/569434798.db2.gz HJIIDVBVJLAUMT-UHFFFAOYSA-N 0 0 425.432 3.682 50 0 IHAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)c1 ZINC000057428001 569434828 /nfs/dbraw/zinc/43/48/28/569434828.db2.gz XZATZKVSSDQHSR-UHFFFAOYSA-N 0 0 449.532 3.619 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)Nc1ccccc1Cl)c2=O ZINC000057428310 569434880 /nfs/dbraw/zinc/43/48/80/569434880.db2.gz WHPWXGUOPHXXQD-UHFFFAOYSA-N 0 0 428.279 3.836 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)NCc2ccco2)ccc1F ZINC000057428610 569434957 /nfs/dbraw/zinc/43/49/57/569434957.db2.gz ZNCRZLDNRCLBFS-UHFFFAOYSA-N 0 0 429.498 3.896 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)c(C)c1 ZINC000057429032 569434988 /nfs/dbraw/zinc/43/49/88/569434988.db2.gz GZXHMXSFLFCZAR-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CS(=O)(=O)C2 ZINC000003009656 569435270 /nfs/dbraw/zinc/43/52/70/569435270.db2.gz YXGCJGKLWVQCGT-UHFFFAOYSA-N 0 0 425.510 3.569 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000057473074 569435669 /nfs/dbraw/zinc/43/56/69/569435669.db2.gz WZHGUGNPTKLUET-IBGZPJMESA-N 0 0 439.943 3.656 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000057473072 569435700 /nfs/dbraw/zinc/43/57/00/569435700.db2.gz WZHGUGNPTKLUET-LJQANCHMSA-N 0 0 439.943 3.656 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)no1 ZINC000057473390 569435757 /nfs/dbraw/zinc/43/57/57/569435757.db2.gz DCLYOHOSQQXPPH-UHFFFAOYSA-N 0 0 426.523 3.728 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O ZINC000057489901 569437081 /nfs/dbraw/zinc/43/70/81/569437081.db2.gz XECRMIKYQTXFGO-UHFFFAOYSA-N 0 0 448.529 3.771 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)c(C)c1 ZINC000057490458 569437124 /nfs/dbraw/zinc/43/71/24/569437124.db2.gz FBNGUVRQLOTCNC-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)cc1C ZINC000057490981 569437259 /nfs/dbraw/zinc/43/72/59/569437259.db2.gz XYTUALOPWLBUET-UHFFFAOYSA-N 0 0 445.544 3.810 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1C ZINC000057491166 569437293 /nfs/dbraw/zinc/43/72/93/569437293.db2.gz BAZXHBBNCHPOBZ-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)Nc1ccc(Cl)cc1 ZINC000057494197 569437652 /nfs/dbraw/zinc/43/76/52/569437652.db2.gz HDODVCZNHDVYMK-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)Nc1cccc(Cl)c1 ZINC000057493883 569437674 /nfs/dbraw/zinc/43/76/74/569437674.db2.gz OOYANVXGZUZQCQ-UHFFFAOYSA-N 0 0 445.953 3.821 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3C)c2=O)ccc1F ZINC000057494638 569437720 /nfs/dbraw/zinc/43/77/20/569437720.db2.gz BXMIKABGCNWHAZ-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)ccc1F ZINC000057494493 569437742 /nfs/dbraw/zinc/43/77/42/569437742.db2.gz ZZXCXJHUFLDVMT-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)c(C)c(C)nc1-c1cccc(Cl)c1 ZINC000057528017 569439203 /nfs/dbraw/zinc/43/92/03/569439203.db2.gz GXVMXXCAMMCIIR-UHFFFAOYSA-N 0 0 425.872 3.606 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CNc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000057531654 569439439 /nfs/dbraw/zinc/43/94/39/569439439.db2.gz SWYCSMQLLYWIAN-UHFFFAOYSA-N 0 0 437.256 3.682 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)c1 ZINC000030108778 569440740 /nfs/dbraw/zinc/44/07/40/569440740.db2.gz FYRPWQRKSNJPAY-UHFFFAOYSA-N 0 0 439.581 3.981 50 0 IHAARN CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000030214926 569441119 /nfs/dbraw/zinc/44/11/19/569441119.db2.gz ACMWNYVONAFDDZ-LBPRGKRZSA-N 0 0 434.265 3.538 50 0 IHAARN COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2OC)c1 ZINC000003223931 569442083 /nfs/dbraw/zinc/44/20/83/569442083.db2.gz FRHPWVOOSAVOCZ-UHFFFAOYSA-N 0 0 430.460 3.647 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000003235299 569442385 /nfs/dbraw/zinc/44/23/85/569442385.db2.gz VBYPSMWJCSMALV-UHFFFAOYSA-N 0 0 436.402 3.973 50 0 IHAARN COC[C@H](C)n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O ZINC000003259531 569443202 /nfs/dbraw/zinc/44/32/02/569443202.db2.gz GDKKEMQJTPUCNA-AWEZNQCLSA-N 0 0 425.510 3.537 50 0 IHAARN COC(=O)c1ccc(CNC(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 ZINC000003267323 569443493 /nfs/dbraw/zinc/44/34/93/569443493.db2.gz YJKACOJLBFWBSM-UHFFFAOYSA-N 0 0 428.539 3.785 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003279442 569443778 /nfs/dbraw/zinc/44/37/78/569443778.db2.gz OEVPHVUWKBSUAI-NSHDSACASA-N 0 0 446.290 3.834 50 0 IHAARN COc1cc(CC(=O)OCCOc2ccc(Br)cc2)cc(OC)c1OC ZINC000003300686 569445056 /nfs/dbraw/zinc/44/50/56/569445056.db2.gz GZAWFHKDPXYAIC-UHFFFAOYSA-N 0 0 425.275 3.640 50 0 IHAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C)c1ccccc1 ZINC000003303710 569445151 /nfs/dbraw/zinc/44/51/51/569445151.db2.gz PDJVTFVUOBTRGL-MRXNPFEDSA-N 0 0 444.532 3.959 50 0 IHAARN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000003313050 569445572 /nfs/dbraw/zinc/44/55/72/569445572.db2.gz AWDUEGVUJBKQNO-UHFFFAOYSA-N 0 0 440.279 3.741 50 0 IHAARN Nn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1cccs1 ZINC000003313524 569445583 /nfs/dbraw/zinc/44/55/83/569445583.db2.gz FYPZSMZZKAQWIM-UHFFFAOYSA-N 0 0 432.531 3.714 50 0 IHAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Br)s1 ZINC000003322666 569446030 /nfs/dbraw/zinc/44/60/30/569446030.db2.gz ZWSOUMCHCNQXLG-ZDUSSCGKSA-N 0 0 426.313 3.740 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(OC)c1 ZINC000003341773 569446951 /nfs/dbraw/zinc/44/69/51/569446951.db2.gz CZBWRZPDPYTZIB-FQEVSTJZSA-N 0 0 438.549 3.765 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000003345557 569447106 /nfs/dbraw/zinc/44/71/06/569447106.db2.gz VIGQGPODUDGUAX-GOSISDBHSA-N 0 0 440.594 3.863 50 0 IHAARN O=c1c2ccccc2nnn1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000003348475 569447262 /nfs/dbraw/zinc/44/72/62/569447262.db2.gz NSXDYUPRBPVNPW-UHFFFAOYSA-N 0 0 430.468 3.928 50 0 IHAARN COc1ccc([C@@H]2C=C(c3ccccc3)N=c3sc(=C4SCCS4)c(=O)n32)cc1 ZINC000003353298 569447451 /nfs/dbraw/zinc/44/74/51/569447451.db2.gz WZMBNJOIFYVWAO-SFHVURJKSA-N 0 0 438.599 3.728 50 0 IHAARN Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003356942 569447618 /nfs/dbraw/zinc/44/76/18/569447618.db2.gz YAOXTJPTWKWMQG-UHFFFAOYSA-N 0 0 435.553 3.704 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)N3CCN(C)CC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003364055 569448069 /nfs/dbraw/zinc/44/80/69/569448069.db2.gz WUVGSWYRMUIJIK-UHFFFAOYSA-N 0 0 446.580 3.590 50 0 IHAARN CC(C)N(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C(C)C ZINC000003369151 569448284 /nfs/dbraw/zinc/44/82/84/569448284.db2.gz MEQUIDGCRIIGAT-CCEZHUSRSA-N 0 0 444.553 3.901 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000003370365 569448456 /nfs/dbraw/zinc/44/84/56/569448456.db2.gz MZNGVPDAWRHWDP-UHFFFAOYSA-N 0 0 438.549 3.883 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003371412 569448487 /nfs/dbraw/zinc/44/84/87/569448487.db2.gz RHAVGQWILFUICD-UHFFFAOYSA-N 0 0 445.324 3.763 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccccc2F)c1 ZINC000003379885 569448806 /nfs/dbraw/zinc/44/88/06/569448806.db2.gz PRYFNLVUFMBPDT-UHFFFAOYSA-N 0 0 430.295 3.632 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000003381352 569448837 /nfs/dbraw/zinc/44/88/37/569448837.db2.gz UFQUSVUTLHBKEL-UHFFFAOYSA-N 0 0 438.235 3.785 50 0 IHAARN C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1 ZINC000003383670 569448932 /nfs/dbraw/zinc/44/89/32/569448932.db2.gz QPGKRECVOLTPIV-NSHDSACASA-N 0 0 441.958 3.725 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1C ZINC000003390538 569449203 /nfs/dbraw/zinc/44/92/03/569449203.db2.gz UOJGYFJWJFFEHZ-UHFFFAOYSA-N 0 0 446.912 3.858 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000003391989 569449308 /nfs/dbraw/zinc/44/93/08/569449308.db2.gz RPCXTBTYAZYHEC-DEOSSOPVSA-N 0 0 434.561 3.993 50 0 IHAARN CCOc1ccc2c(c1)C=C(C(=O)Oc1ccccc1S(=O)(=O)C(F)(F)F)CO2 ZINC000058175124 569449766 /nfs/dbraw/zinc/44/97/66/569449766.db2.gz BORYTGBFTQKZQQ-UHFFFAOYSA-N 0 0 428.384 3.760 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O ZINC000003404472 569449901 /nfs/dbraw/zinc/44/99/01/569449901.db2.gz ISZLALJRMDNLJN-MPBGBICISA-N 0 0 426.344 3.746 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003427827 569450678 /nfs/dbraw/zinc/45/06/78/569450678.db2.gz KFQWCGFBFLIOOV-UHFFFAOYSA-N 0 0 429.826 3.583 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000003429972 569450762 /nfs/dbraw/zinc/45/07/62/569450762.db2.gz RJXUHSAKMIENGZ-UHFFFAOYSA-N 0 0 448.494 3.600 50 0 IHAARN COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)o1 ZINC000003440963 569451211 /nfs/dbraw/zinc/45/12/11/569451211.db2.gz UINNVUDJAOXQLQ-LBPRGKRZSA-N 0 0 446.550 3.798 50 0 IHAARN Nn1c(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cccc(Cl)c1 ZINC000003472594 569452156 /nfs/dbraw/zinc/45/21/56/569452156.db2.gz FRTOPHQRCCNVND-UHFFFAOYSA-N 0 0 449.792 3.739 50 0 IHAARN COc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000003477084 569452203 /nfs/dbraw/zinc/45/22/03/569452203.db2.gz HEMHBVOVIKQWGJ-UHFFFAOYSA-N 0 0 443.443 3.856 50 0 IHAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 ZINC000003488105 569452470 /nfs/dbraw/zinc/45/24/70/569452470.db2.gz WJELRDPJLISYAP-AWEZNQCLSA-N 0 0 436.420 3.753 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000003497055 569452668 /nfs/dbraw/zinc/45/26/68/569452668.db2.gz DXFJEYZIVADARX-UHFFFAOYSA-N 0 0 448.346 3.863 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000031031286 569452699 /nfs/dbraw/zinc/45/26/99/569452699.db2.gz TTWAPTFRFBLQGK-QGZVFWFLSA-N 0 0 428.432 3.767 50 0 IHAARN CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)c1C ZINC000058305084 569452764 /nfs/dbraw/zinc/45/27/64/569452764.db2.gz WRIVFWCODBDJLQ-SFHVURJKSA-N 0 0 438.347 3.599 50 0 IHAARN CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)c1C ZINC000058305083 569452827 /nfs/dbraw/zinc/45/28/27/569452827.db2.gz WRIVFWCODBDJLQ-GOSISDBHSA-N 0 0 438.347 3.599 50 0 IHAARN O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003519945 569453156 /nfs/dbraw/zinc/45/31/56/569453156.db2.gz GPZXIPIMBZBWRY-UHFFFAOYSA-N 0 0 449.442 3.519 50 0 IHAARN Cc1ccc(C(=O)c2c(NC(=O)COC(=O)C3=COCCO3)sc3c2CCCC3)cc1 ZINC000003542721 569453597 /nfs/dbraw/zinc/45/35/97/569453597.db2.gz NOKUMQXZCUGNOJ-UHFFFAOYSA-N 0 0 441.505 3.536 50 0 IHAARN O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)N1CCOCC1 ZINC000003551091 569453847 /nfs/dbraw/zinc/45/38/47/569453847.db2.gz COUAWBBLBPPXQG-UHFFFAOYSA-N 0 0 428.535 3.604 50 0 IHAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1C ZINC000003556866 569453890 /nfs/dbraw/zinc/45/38/90/569453890.db2.gz BOSGIUGFPZZODH-UHFFFAOYSA-N 0 0 428.598 3.613 50 0 IHAARN CN(Cc1nccn1C(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031152701 569454101 /nfs/dbraw/zinc/45/41/01/569454101.db2.gz YONBZTZVUNKBQI-QGZVFWFLSA-N 0 0 426.467 3.942 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1OC ZINC000003565585 569454128 /nfs/dbraw/zinc/45/41/28/569454128.db2.gz JAXRDXNFOQKVJE-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN CN(Cc1nccn1C(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031152705 569454131 /nfs/dbraw/zinc/45/41/31/569454131.db2.gz YONBZTZVUNKBQI-KRWDZBQOSA-N 0 0 426.467 3.942 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 ZINC000003565289 569454140 /nfs/dbraw/zinc/45/41/40/569454140.db2.gz AQUDVDMONLCBSL-GFCCVEGCSA-N 0 0 447.467 3.582 50 0 IHAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000003593607 569454607 /nfs/dbraw/zinc/45/46/07/569454607.db2.gz FWWQWLTZTAQAFH-GOSISDBHSA-N 0 0 436.693 3.508 50 0 IHAARN CCOC(=O)[C@@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)Cc1ccccc1 ZINC000058438224 569454750 /nfs/dbraw/zinc/45/47/50/569454750.db2.gz LPSNALVBDRDNLI-HXUWFJFHSA-N 0 0 425.529 3.502 50 0 IHAARN Cn1c(=O)c2c3c(sc2nc1SCC(=O)NCc1ccccc1Cl)CCCC3 ZINC000003601098 569454860 /nfs/dbraw/zinc/45/48/60/569454860.db2.gz UKGLQYVPEIJKIW-UHFFFAOYSA-N 0 0 433.986 3.936 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000003600743 569454866 /nfs/dbraw/zinc/45/48/66/569454866.db2.gz RMYLLTZCCPDEJN-MHZLTWQESA-N 0 0 439.515 3.676 50 0 IHAARN O=C(OCc1c(F)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000003620418 569455157 /nfs/dbraw/zinc/45/51/57/569455157.db2.gz IBLPOPOIYINUEV-UHFFFAOYSA-N 0 0 448.299 3.510 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)N(C(=O)c1cccnc1)c1ccc2oc(=O)sc2c1 ZINC000003654003 569455768 /nfs/dbraw/zinc/45/57/68/569455768.db2.gz HEIZKEJTDBYABA-UHFFFAOYSA-N 0 0 444.465 3.733 50 0 IHAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1cccnc1N1CCOCC1 ZINC000031329132 569455979 /nfs/dbraw/zinc/45/59/79/569455979.db2.gz CVGKCYYFJDNZGP-UHFFFAOYSA-N 0 0 438.553 3.745 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)Cc1ccco1 ZINC000031458267 569456482 /nfs/dbraw/zinc/45/64/82/569456482.db2.gz LOYGOYQSSVVFKR-INIZCTEOSA-N 0 0 425.348 3.552 50 0 IHAARN CC(C)Cc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032052521 569458991 /nfs/dbraw/zinc/45/89/91/569458991.db2.gz PAVQSXKEIKLNDC-KRWDZBQOSA-N 0 0 430.570 3.715 50 0 IHAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc(SC)cc3)cc(C(C)C)nc21 ZINC000032078370 569459374 /nfs/dbraw/zinc/45/93/74/569459374.db2.gz ZILBROFUAGAZBX-UHFFFAOYSA-N 0 0 440.569 3.612 50 0 IHAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCc1ccccc1 ZINC000032092283 569459675 /nfs/dbraw/zinc/45/96/75/569459675.db2.gz RBLPXHRTNZTVQX-KRWDZBQOSA-N 0 0 432.549 3.954 50 0 IHAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032096242 569459920 /nfs/dbraw/zinc/45/99/20/569459920.db2.gz BXSBEHCOMHCPIQ-OAQYLSRUSA-N 0 0 431.895 3.783 50 0 IHAARN CN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)C1=O ZINC000004123022 569460019 /nfs/dbraw/zinc/46/00/19/569460019.db2.gz LISSBIZWFBMFSJ-OAQYLSRUSA-N 0 0 425.282 3.677 50 0 IHAARN O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)NCC1CC1 ZINC000059287990 569460767 /nfs/dbraw/zinc/46/07/67/569460767.db2.gz IBUQJJFOXZIFFM-SKHQJWOMSA-N 0 0 441.612 3.537 50 0 in-vitro IHAARN C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007978423 569461974 /nfs/dbraw/zinc/46/19/74/569461974.db2.gz MFODWBBXQJXEMM-SFHVURJKSA-N 0 0 427.570 3.641 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NC[C@@H]2CCCO2)nnc3C(C)C)cc1 ZINC000038488222 569463003 /nfs/dbraw/zinc/46/30/03/569463003.db2.gz MAZGHBHMJDJPRP-KRWDZBQOSA-N 0 0 425.558 3.635 50 0 IHAARN Cc1cccc(C)c1NC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCC(C)CC1 ZINC000008435266 569464328 /nfs/dbraw/zinc/46/43/28/569464328.db2.gz GAKODUSNHGRFHZ-UHFFFAOYSA-N 0 0 447.535 3.603 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)cc1 ZINC000067208566 569464737 /nfs/dbraw/zinc/46/47/37/569464737.db2.gz NLRGWJVRLSKPHV-UHFFFAOYSA-N 0 0 437.459 3.553 50 0 IHAARN CCOc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(OC)cc4)n3)c2C)cc1 ZINC000067225363 569465151 /nfs/dbraw/zinc/46/51/51/569465151.db2.gz KJOFJEVLSSMYRR-UHFFFAOYSA-N 0 0 436.497 3.754 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O ZINC000067226432 569465277 /nfs/dbraw/zinc/46/52/77/569465277.db2.gz JOZPJKNMRMYRIL-QGZVFWFLSA-N 0 0 447.461 3.676 50 0 IHAARN Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3cc(F)ccc3F)c(=O)c21 ZINC000067235799 569465406 /nfs/dbraw/zinc/46/54/06/569465406.db2.gz IHAYJBXZQOHVNE-UHFFFAOYSA-N 0 0 428.826 3.972 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237440 569465521 /nfs/dbraw/zinc/46/55/21/569465521.db2.gz XWSIMEJHWNLPQK-UHFFFAOYSA-N 0 0 440.475 3.709 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000067238795 569465634 /nfs/dbraw/zinc/46/56/34/569465634.db2.gz OLLJAMPLZYDJOV-ZDUSSCGKSA-N 0 0 428.514 3.521 50 0 IHAARN Cc1cc2nc(SCC(=O)NCCc3cccs3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067239427 569465712 /nfs/dbraw/zinc/46/57/12/569465712.db2.gz OKGLRPPYGIJEEI-UHFFFAOYSA-N 0 0 438.578 3.843 50 0 IHAARN COc1cc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)cc(OC)c1OC ZINC000038652060 569465749 /nfs/dbraw/zinc/46/57/49/569465749.db2.gz OOWJGHNCWMAUAR-UHFFFAOYSA-N 0 0 448.479 3.651 50 0 IHAARN COc1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCCC2=O)cc1F ZINC000067258591 569466148 /nfs/dbraw/zinc/46/61/48/569466148.db2.gz IUJZIPHUNVTNML-UHFFFAOYSA-N 0 0 441.528 3.849 50 0 IHAARN CN1c2cc(Cl)ccc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O ZINC000067260205 569466319 /nfs/dbraw/zinc/46/63/19/569466319.db2.gz DRSYLUDRENHMMS-UHFFFAOYSA-N 0 0 447.925 3.957 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000038679167 569466622 /nfs/dbraw/zinc/46/66/22/569466622.db2.gz TXCLTKKNORNCMV-QDEBKDIKSA-N 0 0 433.508 3.516 50 0 IHAARN CCCN1c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2OCC(C)(C)C1=O ZINC000038677895 569466651 /nfs/dbraw/zinc/46/66/51/569466651.db2.gz ZRSUOBULOKBJJD-UHFFFAOYSA-N 0 0 444.553 3.651 50 0 IHAARN COc1ccccc1C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CCOCC1 ZINC000038680285 569466733 /nfs/dbraw/zinc/46/67/33/569466733.db2.gz PHAUYHIECZHNMY-HXUWFJFHSA-N 0 0 436.552 3.530 50 0 IHAARN COc1ccc(-c2cc3c(N4CCN(c5ccc(F)cc5)CC4)nccn3n2)cc1OC ZINC000067285353 569466772 /nfs/dbraw/zinc/46/67/72/569466772.db2.gz JPFJHVCZHQALQT-UHFFFAOYSA-N 0 0 433.487 3.879 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCCc5ccccc54)c3)n2)c1 ZINC000067289379 569467448 /nfs/dbraw/zinc/46/74/48/569467448.db2.gz BYAOUAOCICWDNM-UHFFFAOYSA-N 0 0 426.476 3.853 50 0 IHAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 ZINC000067288956 569467478 /nfs/dbraw/zinc/46/74/78/569467478.db2.gz REFJMZPMFDBVCN-LJQANCHMSA-N 0 0 443.912 3.578 50 0 IHAARN CSc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cc(C)ccc3C)NC2=O)c1 ZINC000067288787 569467491 /nfs/dbraw/zinc/46/74/91/569467491.db2.gz IXIGGANYWZKDNX-NRFANRHFSA-N 0 0 437.521 3.541 50 0 IHAARN O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000038709677 569467683 /nfs/dbraw/zinc/46/76/83/569467683.db2.gz QUTDHEIIPBIXBJ-UHFFFAOYSA-N 0 0 429.520 3.999 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067292856 569467717 /nfs/dbraw/zinc/46/77/17/569467717.db2.gz VJDJJXOTPZMXFB-NOAXNCOGSA-N 0 0 426.856 3.956 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301652 569468300 /nfs/dbraw/zinc/46/83/00/569468300.db2.gz HLHPEYOWXUPJMV-UHFFFAOYSA-N 0 0 439.943 3.916 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000067318784 569468501 /nfs/dbraw/zinc/46/85/01/569468501.db2.gz OHFRUDRPWGLVPX-UHFFFAOYSA-N 0 0 425.435 3.545 50 0 IHAARN COc1cc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc(OC)c1 ZINC000067319981 569468590 /nfs/dbraw/zinc/46/85/90/569468590.db2.gz JNIHHHUBHLTRJG-UHFFFAOYSA-N 0 0 444.557 3.540 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)NCc3ccc(C)c(C)c3)c2c(=O)n1CC(C)C ZINC000067320163 569468604 /nfs/dbraw/zinc/46/86/04/569468604.db2.gz UDDAVUGMYZLFOU-UHFFFAOYSA-N 0 0 426.586 3.818 50 0 IHAARN CCc1ccc(CNC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067320161 569468631 /nfs/dbraw/zinc/46/86/31/569468631.db2.gz KQXYGWINVFFSAN-UHFFFAOYSA-N 0 0 426.586 3.763 50 0 IHAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(Br)cc2)c1C ZINC000067322589 569468659 /nfs/dbraw/zinc/46/86/59/569468659.db2.gz QEHKUAQAJODYOB-UHFFFAOYSA-N 0 0 442.317 3.802 50 0 IHAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1CC(=O)Nc1ccc(Br)cc1 ZINC000067322621 569468671 /nfs/dbraw/zinc/46/86/71/569468671.db2.gz FNLOEAQHAGACHG-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 ZINC000067323119 569468726 /nfs/dbraw/zinc/46/87/26/569468726.db2.gz AOCQZPPJYPDDMA-UHFFFAOYSA-N 0 0 431.855 3.669 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1ccc(C)cc1 ZINC000067323574 569468757 /nfs/dbraw/zinc/46/87/57/569468757.db2.gz AOQZXFDRJWMDKP-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)c1 ZINC000067341543 569469075 /nfs/dbraw/zinc/46/90/75/569469075.db2.gz WKXNCTYJNDAVQS-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 ZINC000038834746 569469223 /nfs/dbraw/zinc/46/92/23/569469223.db2.gz ZKIVRVXAHYTSCW-INIZCTEOSA-N 0 0 448.850 3.915 50 0 IHAARN CN(Cc1ccc(Br)cc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000008631767 569469522 /nfs/dbraw/zinc/46/95/22/569469522.db2.gz UVDOERBGABICED-UHFFFAOYSA-N 0 0 437.643 3.942 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008661377 569469801 /nfs/dbraw/zinc/46/98/01/569469801.db2.gz WBOSJZRYBLEPPR-UHFFFAOYSA-N 0 0 443.388 3.858 50 0 IHAARN CCn1ccnc1SCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000008708415 569470659 /nfs/dbraw/zinc/47/06/59/569470659.db2.gz IUKZQOMVTYUGBV-UHFFFAOYSA-N 0 0 433.603 3.740 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(OC)c2)c1 ZINC000008708991 569470740 /nfs/dbraw/zinc/47/07/40/569470740.db2.gz KQTUQOQDWFBAQA-UHFFFAOYSA-N 0 0 431.558 3.578 50 0 IHAARN COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nnnn32)ccc1OCc1ccc(C)cc1 ZINC000008717604 569471137 /nfs/dbraw/zinc/47/11/37/569471137.db2.gz UBKLRCHURPEVAW-JOCHJYFZSA-N 0 0 449.511 3.810 50 0 IHAARN CNC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008719170 569471359 /nfs/dbraw/zinc/47/13/59/569471359.db2.gz QCMIZKRGVJXFAA-UHFFFAOYSA-N 0 0 445.342 3.930 50 0 IHAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)[nH]c1Cc1ccccc1 ZINC000008720180 569471525 /nfs/dbraw/zinc/47/15/25/569471525.db2.gz YJNCXDCPOLAVJD-MRXNPFEDSA-N 0 0 432.553 3.859 50 0 IHAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008755989 569474043 /nfs/dbraw/zinc/47/40/43/569474043.db2.gz QQPKDILEHNLCDP-AWEZNQCLSA-N 0 0 438.509 3.553 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000008790478 569476048 /nfs/dbraw/zinc/47/60/48/569476048.db2.gz FAZHCKDROLFBIZ-UHFFFAOYSA-N 0 0 432.571 3.645 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1 ZINC000008790481 569476080 /nfs/dbraw/zinc/47/60/80/569476080.db2.gz IDWQSYYHGTXXHR-UHFFFAOYSA-N 0 0 449.554 3.596 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000008791116 569476180 /nfs/dbraw/zinc/47/61/80/569476180.db2.gz VPCQQVRJUAYGSX-SFHVURJKSA-N 0 0 426.494 3.876 50 0 biogenic IHAARN CC(C)Sc1nc2c(cnn2CCNC(=O)c2ccc(F)c(F)c2)c(N2CCCC2)n1 ZINC000008797602 569476371 /nfs/dbraw/zinc/47/63/71/569476371.db2.gz KWERKBOAZIPXHF-UHFFFAOYSA-N 0 0 446.527 3.635 50 0 IHAARN O=c1c2c3c(sc2n2c(S)nnc2n1-c1ccccc1)CN(Cc1ccccc1)CC3 ZINC000008837014 569478148 /nfs/dbraw/zinc/47/81/48/569478148.db2.gz JVWDNTDRXYXIDJ-UHFFFAOYSA-N 0 0 445.573 3.942 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1C ZINC000008838480 569478286 /nfs/dbraw/zinc/47/82/86/569478286.db2.gz RDECXHSLDHRFLH-CYBMUJFWSA-N 0 0 445.324 3.614 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008845295 569478700 /nfs/dbraw/zinc/47/87/00/569478700.db2.gz GVKIJTJURAOQAB-QFIPXVFZSA-N 0 0 435.480 3.541 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@@H]1CCCc2ccccc21 ZINC000008852891 569479488 /nfs/dbraw/zinc/47/94/88/569479488.db2.gz UJIHLPYSBOCUTN-LJQANCHMSA-N 0 0 431.521 3.807 50 0 IHAARN COc1cc(CSc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc(OC)c1 ZINC000008853839 569479623 /nfs/dbraw/zinc/47/96/23/569479623.db2.gz RBPRFVNXEHARNY-UHFFFAOYSA-N 0 0 443.550 3.733 50 0 IHAARN NC(=O)c1ccsc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000008855919 569479723 /nfs/dbraw/zinc/47/97/23/569479723.db2.gz CRDQSIKJQRIGCR-UHFFFAOYSA-N 0 0 434.974 3.928 50 0 IHAARN COc1ccc(CCNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 ZINC000008865158 569480235 /nfs/dbraw/zinc/48/02/35/569480235.db2.gz XKZJCQYNKHLPFH-UHFFFAOYSA-N 0 0 448.544 3.842 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC(C)C ZINC000008876277 569481053 /nfs/dbraw/zinc/48/10/53/569481053.db2.gz RCLHISSQUHDLQE-MUXOPTKESA-N 0 0 445.629 3.728 50 0 biogenic IHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000008878599 569481283 /nfs/dbraw/zinc/48/12/83/569481283.db2.gz UTCMJHDRMNTMGI-REWPJTCUSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CCN1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000039404189 569481548 /nfs/dbraw/zinc/48/15/48/569481548.db2.gz PJIUTGWDPWFLGC-UHFFFAOYSA-N 0 0 425.554 3.933 50 0 IHAARN O=C(NCCc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000039547995 569481695 /nfs/dbraw/zinc/48/16/95/569481695.db2.gz UPVYUWLLEYIKLK-UHFFFAOYSA-N 0 0 443.956 3.645 50 0 IHAARN Cc1c(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cnn1-c1ccccc1 ZINC000040017817 569482655 /nfs/dbraw/zinc/48/26/55/569482655.db2.gz NCDBRVGVEKVMRC-UHFFFAOYSA-N 0 0 439.537 3.944 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000008882952 569482983 /nfs/dbraw/zinc/48/29/83/569482983.db2.gz MIFMNKAIWHBPKQ-AUUYWEPGSA-N 0 0 437.323 3.704 50 0 IHAARN CN(c1ccccc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000040040335 569483460 /nfs/dbraw/zinc/48/34/60/569483460.db2.gz ITROEXCWTOUSSQ-UHFFFAOYSA-N 0 0 427.453 3.672 50 0 IHAARN CC(=O)c1sc2[nH]c(CSc3nnc(Cc4cccs4)n3C)nc(=O)c2c1C ZINC000008895920 569483885 /nfs/dbraw/zinc/48/38/85/569483885.db2.gz CJPCNJDHDFYEPG-UHFFFAOYSA-N 0 0 431.568 3.569 50 0 IHAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc2ccccc2c1 ZINC000008897050 569483923 /nfs/dbraw/zinc/48/39/23/569483923.db2.gz AISPZKZYKLZHCQ-UHFFFAOYSA-N 0 0 437.565 3.695 50 0 IHAARN Cc1ccc(-n2nnnc2S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000008899801 569484080 /nfs/dbraw/zinc/48/40/80/569484080.db2.gz QAQGSMWDPBSVLB-GOSISDBHSA-N 0 0 441.944 3.938 50 0 IHAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000040052036 569484499 /nfs/dbraw/zinc/48/44/99/569484499.db2.gz ZHSBCOYKCXJNSX-QGZVFWFLSA-N 0 0 444.582 3.798 50 0 IHAARN Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccc4oc(=O)ccc4c3)s2)cs1 ZINC000040058640 569484710 /nfs/dbraw/zinc/48/47/10/569484710.db2.gz HLTMCJYMUUPZKH-UHFFFAOYSA-N 0 0 432.548 3.807 50 0 IHAARN COc1ccc(-c2nnn(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000040059521 569484747 /nfs/dbraw/zinc/48/47/47/569484747.db2.gz NRSGQLHDJQBAHI-GOSISDBHSA-N 0 0 448.479 3.590 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1OC ZINC000008912681 569485075 /nfs/dbraw/zinc/48/50/75/569485075.db2.gz AJWYQZZBXUOUOY-MRXNPFEDSA-N 0 0 441.557 3.818 50 0 IHAARN Cc1cccc(C)c1N1CCc2cnn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c21 ZINC000008916575 569485822 /nfs/dbraw/zinc/48/58/22/569485822.db2.gz FWBUKLINOIFFFZ-UHFFFAOYSA-N 0 0 436.537 3.558 50 0 IHAARN CC(C)CCC[C@H](C)NC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918475 569486276 /nfs/dbraw/zinc/48/62/76/569486276.db2.gz DVUZCEVUSFTGRH-TZPNTHKFSA-N 0 0 438.572 3.923 50 0 biogenic IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H](c1cccs1)C1CCCC1 ZINC000040096624 569487530 /nfs/dbraw/zinc/48/75/30/569487530.db2.gz PDGJOOHJMONYKK-FQEVSTJZSA-N 0 0 449.598 3.822 50 0 IHAARN COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccccc3)c1-n1cccc1)OCO2 ZINC000008933609 569487853 /nfs/dbraw/zinc/48/78/53/569487853.db2.gz DZWHWXRPXMNKBW-UHFFFAOYSA-N 0 0 444.447 3.739 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040105694 569488254 /nfs/dbraw/zinc/48/82/54/569488254.db2.gz VOHMKBGVKJNVIT-NRFANRHFSA-N 0 0 433.643 3.946 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2ccc(OC(C)C)cc2)c(NCC(C)C)n1 ZINC000008942393 569488675 /nfs/dbraw/zinc/48/86/75/569488675.db2.gz UOMVQDYAKOBMJX-UHFFFAOYSA-N 0 0 442.589 3.833 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000008942523 569488698 /nfs/dbraw/zinc/48/86/98/569488698.db2.gz GCVRSSVLTKSUKU-IBGZPJMESA-N 0 0 425.506 3.696 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)CCCc2ccccc2)c(NCC(C)C)n1 ZINC000008942864 569488733 /nfs/dbraw/zinc/48/87/33/569488733.db2.gz DGIUABZHYOOHOD-UHFFFAOYSA-N 0 0 426.590 3.755 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000040115772 569489203 /nfs/dbraw/zinc/48/92/03/569489203.db2.gz JYEXZWKKQONQDC-UHFFFAOYSA-N 0 0 439.512 3.677 50 0 IHAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000040120251 569489472 /nfs/dbraw/zinc/48/94/72/569489472.db2.gz OYXNYPNQTCOYJP-UHFFFAOYSA-N 0 0 427.476 3.601 50 0 IHAARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000040120838 569489516 /nfs/dbraw/zinc/48/95/16/569489516.db2.gz GEOXZGQKELBOMK-UHFFFAOYSA-N 0 0 436.516 3.903 50 0 IHAARN CCNc1nc(SCC(=O)c2ccc(CCNC(C)=O)c(F)c2)nc2ccccc21 ZINC000040127774 569489766 /nfs/dbraw/zinc/48/97/66/569489766.db2.gz DGOULBXDDUGABP-UHFFFAOYSA-N 0 0 426.517 3.854 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000008955261 569490108 /nfs/dbraw/zinc/49/01/08/569490108.db2.gz JOTQYDQORRKFKH-UHFFFAOYSA-N 0 0 442.903 3.937 50 0 IHAARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1Cl ZINC000008955714 569490174 /nfs/dbraw/zinc/49/01/74/569490174.db2.gz QVOVFLBJPHSGSE-HNNXBMFYSA-N 0 0 432.325 3.975 50 0 IHAARN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(COc2ccccc2F)o1 ZINC000040133736 569490428 /nfs/dbraw/zinc/49/04/28/569490428.db2.gz JEDNVRKUGWTSIC-UHFFFAOYSA-N 0 0 428.416 3.627 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)CC2)c1 ZINC000040133841 569490472 /nfs/dbraw/zinc/49/04/72/569490472.db2.gz DVNQYQOPIQXDOK-IMRHEYAYSA-N 0 0 428.573 3.983 50 0 IHAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1nc(N2CCCC2)ncc1Cl ZINC000040135780 569490769 /nfs/dbraw/zinc/49/07/69/569490769.db2.gz XJHSUOACPKFZBJ-UHFFFAOYSA-N 0 0 449.264 3.639 50 0 IHAARN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)c2)n1 ZINC000040139396 569490908 /nfs/dbraw/zinc/49/09/08/569490908.db2.gz TXPKYFKBDXKLDS-QHCPKHFHSA-N 0 0 430.552 3.834 50 0 IHAARN COc1ccccc1CNC(=O)[C@H](C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965209 569491339 /nfs/dbraw/zinc/49/13/39/569491339.db2.gz GPPKACQPQIXLFV-SFHVURJKSA-N 0 0 430.508 3.690 50 0 IHAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000008965352 569491468 /nfs/dbraw/zinc/49/14/68/569491468.db2.gz DEMQNYAWFOACCN-UHFFFAOYSA-N 0 0 444.491 3.952 50 0 IHAARN COc1ccccc1Oc1ccc(NC(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000040141655 569491754 /nfs/dbraw/zinc/49/17/54/569491754.db2.gz BKQTWJUFQZWRCL-QGZVFWFLSA-N 0 0 441.509 3.604 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 ZINC000040144051 569491986 /nfs/dbraw/zinc/49/19/86/569491986.db2.gz CLZJJFKAXQTWHG-HXUWFJFHSA-N 0 0 425.598 3.708 50 0 IHAARN CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)c1 ZINC000040145428 569492096 /nfs/dbraw/zinc/49/20/96/569492096.db2.gz ZGVCZYHDALDWGY-UHFFFAOYSA-N 0 0 434.544 3.608 50 0 IHAARN CC(C)[C@@H](NC(=O)CSc1nnnn1-c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000008973053 569492779 /nfs/dbraw/zinc/49/27/79/569492779.db2.gz NPZIILURXDOGQE-GOSISDBHSA-N 0 0 441.948 3.798 50 0 IHAARN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC000040153483 569493594 /nfs/dbraw/zinc/49/35/94/569493594.db2.gz SUIBDUBGIGKJMW-UHFFFAOYSA-N 0 0 440.891 3.897 50 0 IHAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1=NS(=O)(=O)c2ccccc21 ZINC000040157180 569494229 /nfs/dbraw/zinc/49/42/29/569494229.db2.gz LBUVVDJCIYHMII-UHFFFAOYSA-N 0 0 442.500 3.727 50 0 IHAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1 ZINC000008992253 569495331 /nfs/dbraw/zinc/49/53/31/569495331.db2.gz GTZJSVYDWGHYMA-HZPDHXFCSA-N 0 0 437.492 3.792 50 0 biogenic IHAARN COC(=O)CNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000008993239 569495446 /nfs/dbraw/zinc/49/54/46/569495446.db2.gz NWWAXNSAVTXAKQ-UHFFFAOYSA-N 0 0 425.916 3.614 50 0 IHAARN COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1 ZINC000008993666 569495510 /nfs/dbraw/zinc/49/55/10/569495510.db2.gz GYRIRRQIMAUWTC-RBUKOAKNSA-N 0 0 436.986 3.666 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009005293 569496130 /nfs/dbraw/zinc/49/61/30/569496130.db2.gz VXYLLLUTOFFHSX-NRFANRHFSA-N 0 0 444.578 3.500 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000040227543 569496544 /nfs/dbraw/zinc/49/65/44/569496544.db2.gz UUQFBLIJIJJSGM-UHFFFAOYSA-N 0 0 432.915 3.998 50 0 IHAARN Cc1nc2c(c(N3CCC(NS(=O)(=O)c4cccc5ccccc54)CC3)n1)CCCC2 ZINC000244998711 569496956 /nfs/dbraw/zinc/49/69/56/569496956.db2.gz KQNFSPZQHCMBFR-UHFFFAOYSA-N 0 0 436.581 3.764 50 0 IHAARN O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000245060674 569497086 /nfs/dbraw/zinc/49/70/86/569497086.db2.gz PUZFXIXWOHIPBD-UHFFFAOYSA-N 0 0 435.446 3.621 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1 ZINC000040286917 569498167 /nfs/dbraw/zinc/49/81/67/569498167.db2.gz SUZUCQOSHMIYDY-UHFFFAOYSA-N 0 0 435.505 3.506 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000009050760 569498592 /nfs/dbraw/zinc/49/85/92/569498592.db2.gz NALGSKPELYSSCS-OAQYLSRUSA-N 0 0 433.552 3.707 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009052579 569498726 /nfs/dbraw/zinc/49/87/26/569498726.db2.gz XUGBNKQSARVFSD-OAHLLOKOSA-N 0 0 429.567 3.914 50 0 IHAARN CN1C(=O)N(C)C(=O)C(CNc2ccc(F)cc2)(Cc2ccc(Cl)cc2Cl)C1=O ZINC000009053790 569498857 /nfs/dbraw/zinc/49/88/57/569498857.db2.gz KBDCJGORCRUNCT-UHFFFAOYSA-N 0 0 438.286 3.824 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCc4ccccc4)[C@H]3C2)c1 ZINC000245279459 569502079 /nfs/dbraw/zinc/50/20/79/569502079.db2.gz FUGGKNAXBBYLOD-XNMGPUDCSA-N 0 0 441.575 3.922 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)SCCO1 ZINC000009115149 569502707 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COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000009513586 569543131 /nfs/dbraw/zinc/54/31/31/569543131.db2.gz DABNQOGENXPETA-DEOSSOPVSA-N 0 0 438.487 3.783 50 0 IHAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522445 569544412 /nfs/dbraw/zinc/54/44/12/569544412.db2.gz HENABPWVWSGRMU-OAHLLOKOSA-N 0 0 426.494 3.788 50 0 IHAARN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000009526025 569544466 /nfs/dbraw/zinc/54/44/66/569544466.db2.gz KLGRJWIVHYLSKI-UHFFFAOYSA-N 0 0 425.268 3.903 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000009550374 569546696 /nfs/dbraw/zinc/54/66/96/569546696.db2.gz CRJQIHIWQBTMHB-MHZLTWQESA-N 0 0 439.515 3.923 50 0 IHAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000009559438 569546961 /nfs/dbraw/zinc/54/69/61/569546961.db2.gz UEDNELTXCRJNGT-UHFFFAOYSA-N 0 0 443.388 3.858 50 0 IHAARN CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cn(C)c2ccccc12 ZINC000009561028 569547100 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0 IHAARN COc1ccc(CNC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009577827 569548251 /nfs/dbraw/zinc/54/82/51/569548251.db2.gz HYWURDNNARDIGW-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)Nc2cccnc2)c1 ZINC000009580886 569548879 /nfs/dbraw/zinc/54/88/79/569548879.db2.gz QTTRJTSFMDPLST-UHFFFAOYSA-N 0 0 432.480 3.724 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)n1 ZINC000070638168 569548985 /nfs/dbraw/zinc/54/89/85/569548985.db2.gz FOKICYFERVKDSC-INIZCTEOSA-N 0 0 433.541 3.744 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)ccc1Br ZINC000070638131 569549028 /nfs/dbraw/zinc/54/90/28/569549028.db2.gz BYBDKHMNPRCNTH-OAHLLOKOSA-N 0 0 441.333 3.588 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009581691 569549187 /nfs/dbraw/zinc/54/91/87/569549187.db2.gz HYJPFYACUTXPFZ-DXPJPUQTSA-N 0 0 445.519 3.956 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc(C)cc1 ZINC000009584520 569549406 /nfs/dbraw/zinc/54/94/06/569549406.db2.gz PKDIGXQAYLDTKX-UHFFFAOYSA-N 0 0 434.583 3.909 50 0 IHAARN Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000009584515 569549408 /nfs/dbraw/zinc/54/94/08/569549408.db2.gz MQTZXIXGHLEWNW-UHFFFAOYSA-N 0 0 448.306 3.516 50 0 IHAARN COc1ccc(OC(C)=O)c([C@@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)c1 ZINC000009585981 569549626 /nfs/dbraw/zinc/54/96/26/569549626.db2.gz DKANQBITIGMNOH-IBGZPJMESA-N 0 0 433.258 3.622 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)n2c3ccccc3nc2[C@H](C)O)c1 ZINC000009588932 569549888 /nfs/dbraw/zinc/54/98/88/569549888.db2.gz WODCOJPRVPHSRK-KRWDZBQOSA-N 0 0 449.532 3.993 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000009596604 569550813 /nfs/dbraw/zinc/55/08/13/569550813.db2.gz BTOOQZCDQRJICA-UHFFFAOYSA-N 0 0 439.581 3.722 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(cccc2Br)s1 ZINC000009599659 569551319 /nfs/dbraw/zinc/55/13/19/569551319.db2.gz PINSOQCYYRKILN-UHFFFAOYSA-N 0 0 425.329 3.861 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 ZINC000009599840 569551380 /nfs/dbraw/zinc/55/13/80/569551380.db2.gz YVRDBBIBIZLEHC-UHFFFAOYSA-N 0 0 426.889 3.579 50 0 IHAARN O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCCc1ccccc1 ZINC000009601518 569551582 /nfs/dbraw/zinc/55/15/82/569551582.db2.gz DKKLONNLXNCXRP-UHFFFAOYSA-N 0 0 432.520 3.622 50 0 IHAARN CCc1ccc2nc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000009603903 569551849 /nfs/dbraw/zinc/55/18/49/569551849.db2.gz OKWXOVHZHBQBAL-UHFFFAOYSA-N 0 0 445.610 3.617 50 0 IHAARN COc1cc(-n2c(=O)c3ccccc3n(Cc3cc(C)ccc3C)c2=O)cc(OC)c1OC ZINC000009616033 569553227 /nfs/dbraw/zinc/55/32/27/569553227.db2.gz ISIVNVPOUWFITI-UHFFFAOYSA-N 0 0 446.503 3.843 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009631897 569553879 /nfs/dbraw/zinc/55/38/79/569553879.db2.gz SGFSXILMZWHOLW-FQEVSTJZSA-N 0 0 434.279 3.602 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000009633234 569554204 /nfs/dbraw/zinc/55/42/04/569554204.db2.gz WSKLDVJJCYYOHF-CQSZACIVSA-N 0 0 446.598 3.896 50 0 IHAARN Cc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 ZINC000009634887 569554549 /nfs/dbraw/zinc/55/45/49/569554549.db2.gz IIEKLMMMYAASLB-UHFFFAOYSA-N 0 0 428.510 3.783 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1 ZINC000009640524 569555398 /nfs/dbraw/zinc/55/53/98/569555398.db2.gz HAKKDHSUJYAMBG-UHFFFAOYSA-N 0 0 428.579 3.884 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009640796 569555460 /nfs/dbraw/zinc/55/54/60/569555460.db2.gz RYYUDGRAFCIQFU-UHFFFAOYSA-N 0 0 436.537 3.667 50 0 IHAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)ccc1C ZINC000009642847 569555882 /nfs/dbraw/zinc/55/58/82/569555882.db2.gz ZNBHYTVLDDAHQW-UHFFFAOYSA-N 0 0 432.505 3.766 50 0 IHAARN O=C(NC1CC1)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000009644661 569556075 /nfs/dbraw/zinc/55/60/75/569556075.db2.gz ZBFCCXBAQZTFFN-MRXNPFEDSA-N 0 0 435.431 3.673 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)cc1 ZINC000009646638 569556329 /nfs/dbraw/zinc/55/63/29/569556329.db2.gz FGAIWNCXSZPHOS-RUZDIDTESA-N 0 0 429.476 3.915 50 0 IHAARN COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659345 569556649 /nfs/dbraw/zinc/55/66/49/569556649.db2.gz XHTJWVAKLUBRRX-UHFFFAOYSA-N 0 0 425.466 3.622 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 ZINC000009660867 569556937 /nfs/dbraw/zinc/55/69/37/569556937.db2.gz FUYVHTDXHSWAMV-UHFFFAOYSA-N 0 0 446.532 3.781 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009661190 569557036 /nfs/dbraw/zinc/55/70/36/569557036.db2.gz SYAGNPNOIBTCRY-UHFFFAOYSA-N 0 0 443.442 3.710 50 0 IHAARN COc1ccc(C2=NN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)[C@H](c3ccco3)C2)cc1 ZINC000009662578 569557141 /nfs/dbraw/zinc/55/71/41/569557141.db2.gz LOLAZGLYRAQOLV-SFHVURJKSA-N 0 0 445.397 3.847 50 0 IHAARN Cc1c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000009664526 569557390 /nfs/dbraw/zinc/55/73/90/569557390.db2.gz ROMFOUJZZXHVBC-UHFFFAOYSA-N 0 0 434.279 3.587 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cccs2)c2cccs2)cc1 ZINC000009741838 569565316 /nfs/dbraw/zinc/56/53/16/569565316.db2.gz SJODEGMOAGVMGF-MRXNPFEDSA-N 0 0 427.594 3.612 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccoc1C ZINC000009665124 569557529 /nfs/dbraw/zinc/55/75/29/569557529.db2.gz VDPJMKCONLPHHS-NSHDSACASA-N 0 0 445.570 3.635 50 0 IHAARN COc1ccc(CN2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1OC ZINC000009666369 569557687 /nfs/dbraw/zinc/55/76/87/569557687.db2.gz VTILYQQWNMGRHP-UHFFFAOYSA-N 0 0 432.446 3.988 50 0 IHAARN CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000009669453 569558028 /nfs/dbraw/zinc/55/80/28/569558028.db2.gz YMQYAIHPPSFDDD-QRWLVFNGSA-N 0 0 440.521 3.582 50 0 IHAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669667 569558124 /nfs/dbraw/zinc/55/81/24/569558124.db2.gz KXZBSYUXMWEUCR-MRXNPFEDSA-N 0 0 426.542 3.605 50 0 IHAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000009670754 569558407 /nfs/dbraw/zinc/55/84/07/569558407.db2.gz BZMAUEVEJXYYSC-KDOFPFPSSA-N 0 0 433.892 3.556 50 0 IHAARN Nc1nc(COC(=O)c2ccc(NC(=O)c3cccs3)cc2)nc(Nc2ccccc2)n1 ZINC000009670959 569558431 /nfs/dbraw/zinc/55/84/31/569558431.db2.gz DMJDLHRYLSEKMK-UHFFFAOYSA-N 0 0 446.492 3.868 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 ZINC000009673826 569558996 /nfs/dbraw/zinc/55/89/96/569558996.db2.gz XPTSRCNMPFEMTH-UHFFFAOYSA-N 0 0 440.525 3.664 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009676257 569559451 /nfs/dbraw/zinc/55/94/51/569559451.db2.gz IBJHITWBXUXILO-RPWUZVMVSA-N 0 0 434.536 3.990 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(SC)c3)cc2C[C@@H]1C ZINC000009677051 569559536 /nfs/dbraw/zinc/55/95/36/569559536.db2.gz AVMRZSDCTOFXEO-HNNXBMFYSA-N 0 0 446.594 3.899 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCCC2)O3)cc1C ZINC000009684022 569560526 /nfs/dbraw/zinc/56/05/26/569560526.db2.gz ZBKBGABMJSUQIB-QFIPXVFZSA-N 0 0 444.553 3.647 50 0 IHAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)C1 ZINC000009685543 569560660 /nfs/dbraw/zinc/56/06/60/569560660.db2.gz GUJFUMKKDWFRDE-HNNXBMFYSA-N 0 0 446.569 3.595 50 0 IHAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)OC)cc1)[nH]c1c2C(=O)CCC1 ZINC000009685962 569560704 /nfs/dbraw/zinc/56/07/04/569560704.db2.gz KYYZTKPZHZTTAG-UHFFFAOYSA-N 0 0 426.494 3.837 50 0 IHAARN COc1cccc(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c1OC ZINC000009687398 569560753 /nfs/dbraw/zinc/56/07/53/569560753.db2.gz PMJUKOIKGJJMFL-UHFFFAOYSA-N 0 0 447.539 3.953 50 0 IHAARN CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009707432 569561550 /nfs/dbraw/zinc/56/15/50/569561550.db2.gz ICLKHQPHHRQYIV-UHFFFAOYSA-N 0 0 439.581 3.701 50 0 IHAARN CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 ZINC000009707670 569561638 /nfs/dbraw/zinc/56/16/38/569561638.db2.gz UJIRSHYHAZMRCN-UHFFFAOYSA-N 0 0 429.498 3.961 50 0 IHAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)c1 ZINC000009707730 569561671 /nfs/dbraw/zinc/56/16/71/569561671.db2.gz PWFKOTMEGJYEGG-UHFFFAOYSA-N 0 0 432.523 3.873 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-n1cccc1 ZINC000009707904 569561767 /nfs/dbraw/zinc/56/17/67/569561767.db2.gz JJPKIXWWYXHXND-UHFFFAOYSA-N 0 0 447.520 3.884 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009708265 569561849 /nfs/dbraw/zinc/56/18/49/569561849.db2.gz KVDIXZXBWHDJRE-LJQANCHMSA-N 0 0 442.562 3.602 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000009708300 569561890 /nfs/dbraw/zinc/56/18/90/569561890.db2.gz VBCPTBIIAJOHJT-IBGZPJMESA-N 0 0 427.476 3.885 50 0 IHAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009710966 569562020 /nfs/dbraw/zinc/56/20/20/569562020.db2.gz NEQOUZKRVSISAF-QGZVFWFLSA-N 0 0 431.500 3.558 50 0 IHAARN 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569563575 /nfs/dbraw/zinc/56/35/75/569563575.db2.gz MXFWNUOLDLDIIW-UHFFFAOYSA-N 0 0 443.525 3.751 50 0 IHAARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000009724758 569563737 /nfs/dbraw/zinc/56/37/37/569563737.db2.gz HCFGZBHNVGQYCQ-UHFFFAOYSA-N 0 0 439.518 3.574 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009725286 569563795 /nfs/dbraw/zinc/56/37/95/569563795.db2.gz QIKRWUNKZPDSEH-UHFFFAOYSA-N 0 0 436.537 3.787 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1 ZINC000009725953 569563871 /nfs/dbraw/zinc/56/38/71/569563871.db2.gz DJPRIYFVUVVAJF-UHFFFAOYSA-N 0 0 440.363 3.530 50 0 IHAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009726576 569563909 /nfs/dbraw/zinc/56/39/09/569563909.db2.gz MSVMPQUQBAFCAV-UHFFFAOYSA-N 0 0 449.532 3.544 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009728883 569564207 /nfs/dbraw/zinc/56/42/07/569564207.db2.gz AZCXIKCQZABWFW-UHFFFAOYSA-N 0 0 445.544 3.892 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C[C@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000009835449 569570687 /nfs/dbraw/zinc/57/06/87/569570687.db2.gz CDWGYSBROASCLB-KRWDZBQOSA-N 0 0 441.535 3.798 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1F ZINC000009836319 569570712 /nfs/dbraw/zinc/57/07/12/569570712.db2.gz YEYOTKNENJREFI-UHFFFAOYSA-N 0 0 435.702 3.501 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 ZINC000009836726 569570811 /nfs/dbraw/zinc/57/08/11/569570811.db2.gz BDDUEQVGNHQPNM-BEFAXECRSA-N 0 0 448.548 3.548 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000009844309 569570895 /nfs/dbraw/zinc/57/08/95/569570895.db2.gz MMNNKRUINLEKBD-UHFFFAOYSA-N 0 0 442.313 3.502 50 0 IHAARN Cc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000009846167 569570984 /nfs/dbraw/zinc/57/09/84/569570984.db2.gz ZTIGBMKQWPQHPB-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009847014 569571072 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O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1cccc(F)c1 ZINC000009919689 569573514 /nfs/dbraw/zinc/57/35/14/569573514.db2.gz NBGHMOFJIIUDBO-UHFFFAOYSA-N 0 0 430.476 3.667 50 0 IHAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 ZINC000071280851 569573602 /nfs/dbraw/zinc/57/36/02/569573602.db2.gz IESWRLNMHKEQIV-RDTXWAMCSA-N 0 0 428.558 3.974 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009942119 569573957 /nfs/dbraw/zinc/57/39/57/569573957.db2.gz HBJYWPBQTMXOOZ-SFHVURJKSA-N 0 0 439.317 3.980 50 0 IHAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000009949188 569574189 /nfs/dbraw/zinc/57/41/89/569574189.db2.gz LXMQIXZWOWPKMK-FRKPEAEDSA-N 0 0 436.848 3.868 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(Cc1ccco1)Cc1ccco1 ZINC000009952648 569574664 /nfs/dbraw/zinc/57/46/64/569574664.db2.gz LZRQFZXHQRCSBL-UHFFFAOYSA-N 0 0 442.541 3.695 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961942 569575657 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Nn1c(COc2ccccc2F)nnc1SCCOc1ccc(Br)cc1 ZINC000009980470 569576466 /nfs/dbraw/zinc/57/64/66/569576466.db2.gz XKUXXIIXDRDOGK-UHFFFAOYSA-N 0 0 439.310 3.644 50 0 IHAARN Cc1ccn2c(=O)cc(COC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)nc2c1 ZINC000010021953 569577201 /nfs/dbraw/zinc/57/72/01/569577201.db2.gz KDNIBGPYZVLNGY-UHFFFAOYSA-N 0 0 434.473 3.860 50 0 IHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nnc(NCCOC)s1 ZINC000010022445 569577267 /nfs/dbraw/zinc/57/72/67/569577267.db2.gz VZWWPAQPVJQASR-UHFFFAOYSA-N 0 0 444.604 3.689 50 0 IHAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000010037682 569577451 /nfs/dbraw/zinc/57/74/51/569577451.db2.gz XSPBGBOVUVVRCC-UHFFFAOYSA-N 0 0 431.492 3.829 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000010053902 569577491 /nfs/dbraw/zinc/57/74/91/569577491.db2.gz FUMIKGGPOGFYEF-INIZCTEOSA-N 0 0 430.526 3.780 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCCc2ccc(OC)cc2)c1 ZINC000010062650 569577615 /nfs/dbraw/zinc/57/76/15/569577615.db2.gz 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ZINC000071800097 569581535 /nfs/dbraw/zinc/58/15/35/569581535.db2.gz JGWJHMUHFYQOIR-LJQANCHMSA-N 0 0 436.947 3.782 50 0 IHAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000071808708 569581890 /nfs/dbraw/zinc/58/18/90/569581890.db2.gz IEKDCQVKGFIGAH-UHFFFAOYSA-N 0 0 426.476 3.792 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)n2)cc1 ZINC000071826929 569582045 /nfs/dbraw/zinc/58/20/45/569582045.db2.gz DBSWJKXNNABGJJ-NRFANRHFSA-N 0 0 446.532 3.533 50 0 IHAARN O=S(=O)(NC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(Cl)cc1 ZINC000071844403 569582347 /nfs/dbraw/zinc/58/23/47/569582347.db2.gz VOLFUYJZTZPYBH-UHFFFAOYSA-N 0 0 431.945 3.938 50 0 IHAARN Cc1occc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1N ZINC000010469608 569582465 /nfs/dbraw/zinc/58/24/65/569582465.db2.gz NHNIZBACTZKXLV-MRXNPFEDSA-N 0 0 445.932 3.527 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(C(=O)OC)c(Cc3ccccc3)s2)c1C ZINC000095474039 569584223 /nfs/dbraw/zinc/58/42/23/569584223.db2.gz XKJDSPMCXYYXMR-UHFFFAOYSA-N 0 0 441.509 3.894 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nc3sc(C)c(C)c3c(N)n2)nc1C ZINC000017146705 569584347 /nfs/dbraw/zinc/58/43/47/569584347.db2.gz PCQSELGZQZTIRK-UHFFFAOYSA-N 0 0 437.572 3.563 50 0 IHAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c12 ZINC000025450413 569584994 /nfs/dbraw/zinc/58/49/94/569584994.db2.gz SLRMSEKHLBKUKF-UHFFFAOYSA-N 0 0 443.554 3.666 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1OC ZINC000077099400 569585216 /nfs/dbraw/zinc/58/52/16/569585216.db2.gz PJSWRDCPWHSUGN-WYMLVPIESA-N 0 0 433.508 3.858 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)CC2=O)cc1C ZINC000077101170 569585568 /nfs/dbraw/zinc/58/55/68/569585568.db2.gz HULCAWNGEBDZLT-MRXNPFEDSA-N 0 0 446.473 3.701 50 0 IHAARN O=C([C@@H]1COc2ccccc2O1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077191044 569585931 /nfs/dbraw/zinc/58/59/31/569585931.db2.gz UOIYRCBSMLWLNC-KRWDZBQOSA-N 0 0 431.370 3.521 50 0 IHAARN COc1cc(/C=C/C(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)cc(OC)c1OC ZINC000077197781 569586236 /nfs/dbraw/zinc/58/62/36/569586236.db2.gz KLROETLENNVQAX-YBJDMEARSA-N 0 0 441.406 3.534 50 0 IHAARN O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077197459 569586237 /nfs/dbraw/zinc/58/62/37/569586237.db2.gz PYVUJCDKONLVFV-KRWDZBQOSA-N 0 0 449.486 3.599 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000077200417 569586351 /nfs/dbraw/zinc/58/63/51/569586351.db2.gz OSCNAOSLPLMLIT-RTBURBONSA-N 0 0 434.489 3.867 50 0 IHAARN COc1ccccc1C1(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000077200792 569586555 /nfs/dbraw/zinc/58/65/55/569586555.db2.gz VLACUSPLFNLOCV-UHFFFAOYSA-N 0 0 443.487 3.882 50 0 IHAARN COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1Cl ZINC000078517597 569586717 /nfs/dbraw/zinc/58/67/17/569586717.db2.gz ZGYMAWGAZZKWJX-INIZCTEOSA-N 0 0 441.871 3.718 50 0 IHAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000033073855 569587356 /nfs/dbraw/zinc/58/73/56/569587356.db2.gz LBKPRSZRVMEFGA-UHFFFAOYSA-N 0 0 426.948 3.504 50 0 IHAARN O=C(c1ccccc1Br)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000033265174 569587412 /nfs/dbraw/zinc/58/74/12/569587412.db2.gz JBBGEFMKHOMDAB-UHFFFAOYSA-N 0 0 442.357 3.992 50 0 IHAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C3CCCC3)cc2)C(C(=O)OCCOC)=C1C ZINC000035710305 569587741 /nfs/dbraw/zinc/58/77/41/569587741.db2.gz HDHGODSLKIXEME-NRFANRHFSA-N 0 0 443.544 3.755 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(C)=O ZINC000036118345 569587854 /nfs/dbraw/zinc/58/78/54/569587854.db2.gz IYKCITJVXDFLIG-IBGZPJMESA-N 0 0 428.554 3.520 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cncc(Br)c2)c(C(=O)OCC)c1C ZINC000000622717 193859462 /nfs/dbraw/zinc/85/94/62/193859462.db2.gz UDNFKSYRXHPMQB-UHFFFAOYSA-N 0 0 441.303 3.820 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c(C)c1 ZINC000000624133 193860122 /nfs/dbraw/zinc/86/01/22/193860122.db2.gz HAXGDNYCWFZMAC-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000000631605 193863868 /nfs/dbraw/zinc/86/38/68/193863868.db2.gz MJUWUIAGAQUSGK-QMJOVRGKSA-N 0 0 444.965 3.513 50 0 IHAARN COC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C)CCCCC2 ZINC000000649487 193871853 /nfs/dbraw/zinc/87/18/53/193871853.db2.gz WPGOUXIVWTUKOY-UHFFFAOYSA-N 0 0 440.978 3.626 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000006136678 193881288 /nfs/dbraw/zinc/88/12/88/193881288.db2.gz YVUVJNNGNJHXQW-NRFANRHFSA-N 0 0 448.454 3.596 50 0 IHAARN COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccncc3)n2)c1 ZINC000009847057 193905371 /nfs/dbraw/zinc/90/53/71/193905371.db2.gz QULYBAIUBSHBIC-UHFFFAOYSA-N 0 0 444.495 3.603 50 0 IHAARN CCc1cccc2c([C@@H](CC(=O)NCCN3CCOCC3)c3ccccc3OC)c[nH]c21 ZINC000096276596 193952577 /nfs/dbraw/zinc/95/25/77/193952577.db2.gz CHAUMPLLWMYKTQ-QFIPXVFZSA-N 0 0 435.568 3.709 50 0 IHAARN O=C(/C=C\c1ccc(I)o1)NCc1cccnc1N1CCCCC1 ZINC000096298088 132225533 /nfs/dbraw/zinc/22/55/33/132225533.db2.gz JKRXUXUUSAKIDO-CLFYSBASSA-N 0 0 437.281 3.599 50 0 IHAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000009366225 132231137 /nfs/dbraw/zinc/23/11/37/132231137.db2.gz RLNFZQPRVLNCKT-UHFFFAOYSA-N 0 0 440.550 3.627 50 0 IHAARN C[C@@H]1Cn2c3c(nc2N(c2cccc(Cl)c2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519241 132233085 /nfs/dbraw/zinc/23/30/85/132233085.db2.gz KQLGBPORVIGUKN-INIZCTEOSA-N 0 0 449.942 3.581 50 0 IHAARN Cc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000009519329 132233224 /nfs/dbraw/zinc/23/32/24/132233224.db2.gz WGDPMKJGHULNSM-HNNXBMFYSA-N 0 0 449.942 3.695 50 0 IHAARN CC(=O)Nc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000009608245 132236917 /nfs/dbraw/zinc/23/69/17/132236917.db2.gz FQCJXHVDCISLGY-UHFFFAOYSA-N 0 0 437.418 3.518 50 0 IHAARN O=C(COc1ccccc1Br)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001141192 132237263 /nfs/dbraw/zinc/23/72/63/132237263.db2.gz ARSZESYCSNHKAC-UHFFFAOYSA-N 0 0 425.710 3.957 50 0 IHAARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)N1CCCc2ccccc21 ZINC000010166350 132242959 /nfs/dbraw/zinc/24/29/59/132242959.db2.gz GSGFNSXZZHPLTP-UHFFFAOYSA-N 0 0 430.504 3.556 50 0 IHAARN O=C(NCc1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000010220738 132243739 /nfs/dbraw/zinc/24/37/39/132243739.db2.gz ODWABULNQGEZSU-UHFFFAOYSA-N 0 0 425.535 3.658 50 0 IHAARN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000010220732 132243806 /nfs/dbraw/zinc/24/38/06/132243806.db2.gz IASGKXGPYYNVER-UHFFFAOYSA-N 0 0 437.496 3.735 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000001431872 132245375 /nfs/dbraw/zinc/24/53/75/132245375.db2.gz NMVCUMJBXZUSDM-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN COc1cccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)c1 ZINC000002210592 132248828 /nfs/dbraw/zinc/24/88/28/132248828.db2.gz MWYJFPRRYUIXFE-UHFFFAOYSA-N 0 0 438.553 3.855 50 0 IHAARN Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3cccs3)c2)c2ccccc2c1=O ZINC000002215086 132249023 /nfs/dbraw/zinc/24/90/23/132249023.db2.gz LPQFUOCOHFVWSB-UHFFFAOYSA-N 0 0 446.532 3.751 50 0 IHAARN CCOc1ccc(CN2CCN(c3cc(C)nc4c5c(nn43)nc(C)cc5C)CC2)cc1 ZINC000002239123 132249829 /nfs/dbraw/zinc/24/98/29/132249829.db2.gz ZRKUXBWFMBPENX-UHFFFAOYSA-N 0 0 430.556 3.924 50 0 IHAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5Cl)CC4)sc3nc12 ZINC000002722932 132256687 /nfs/dbraw/zinc/25/66/87/132256687.db2.gz DAMACAZVUVHXER-UHFFFAOYSA-N 0 0 438.940 3.833 50 0 IHAARN CC[C@H](C)NC(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000002931118 132259232 /nfs/dbraw/zinc/25/92/32/132259232.db2.gz YRNMSSZUGMPLKO-HNNXBMFYSA-N 0 0 439.585 3.863 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000002965224 132259753 /nfs/dbraw/zinc/25/97/53/132259753.db2.gz VGZZOPKFEVHPIP-UHFFFAOYSA-N 0 0 436.943 3.529 50 0 IHAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000003028688 132260617 /nfs/dbraw/zinc/26/06/17/132260617.db2.gz PKOFUVOWMVAJQZ-QHCPKHFHSA-N 0 0 437.883 3.862 50 0 IHAARN O=C(COc1ncnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003310550 132263704 /nfs/dbraw/zinc/26/37/04/132263704.db2.gz KFOZEINFHYHDOB-UHFFFAOYSA-N 0 0 432.402 3.503 50 0 IHAARN Cc1cccc(CN2C(=O)CSc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc32)c1 ZINC000003638483 132266559 /nfs/dbraw/zinc/26/65/59/132266559.db2.gz SKJCVBDPIOLCBR-UHFFFAOYSA-N 0 0 438.549 3.613 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000004121724 132270205 /nfs/dbraw/zinc/27/02/05/132270205.db2.gz RUIWRPQABZOCNY-UHFFFAOYSA-N 0 0 430.961 3.525 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000004903346 132274579 /nfs/dbraw/zinc/27/45/79/132274579.db2.gz XXVRMIWYLJOZCI-UHFFFAOYSA-N 0 0 427.501 3.531 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000008170888 132280925 /nfs/dbraw/zinc/28/09/25/132280925.db2.gz SGCXZXSWWBFARH-UHFFFAOYSA-N 0 0 427.570 3.564 50 0 IHAARN CCc1ccccc1N(C)C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000008591433 132284067 /nfs/dbraw/zinc/28/40/67/132284067.db2.gz MOZJEHDFKOHWOQ-IBGZPJMESA-N 0 0 432.572 3.995 50 0 IHAARN O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008608473 132287619 /nfs/dbraw/zinc/28/76/19/132287619.db2.gz YCCVSDBITTZRMF-UHFFFAOYSA-N 0 0 427.501 3.869 50 0 IHAARN Cc1ccc2c(c1)N(CCCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)C(=O)CO2 ZINC000008912066 132297367 /nfs/dbraw/zinc/29/73/67/132297367.db2.gz MWNQUTXJOAYFAM-UHFFFAOYSA-N 0 0 441.959 3.811 50 0 IHAARN Cc1cc(C)c2c(n1)SCC(=O)N2CCCC(=O)NCc1ccccc1Br ZINC000008913790 132298015 /nfs/dbraw/zinc/29/80/15/132298015.db2.gz VZVXYJQILGVDGL-UHFFFAOYSA-N 0 0 448.386 3.996 50 0 IHAARN O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009059695 132301384 /nfs/dbraw/zinc/30/13/84/132301384.db2.gz DHPSFNJRFRKTCB-NSHDSACASA-N 0 0 439.734 3.846 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)c1 ZINC000009087931 132302416 /nfs/dbraw/zinc/30/24/16/132302416.db2.gz XNAAGRPQCDRYPP-IBGZPJMESA-N 0 0 443.551 3.658 50 0 IHAARN Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000009096443 132302781 /nfs/dbraw/zinc/30/27/81/132302781.db2.gz NOJCJYGXCUNKNH-KRWDZBQOSA-N 0 0 432.499 3.869 50 0 IHAARN Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c1 ZINC000009115365 132303604 /nfs/dbraw/zinc/30/36/04/132303604.db2.gz VMBCLWJMUIMGRY-PMERELPUSA-N 0 0 426.513 3.997 50 0 IHAARN CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009119281 132304727 /nfs/dbraw/zinc/30/47/27/132304727.db2.gz PYKJBDNPWBAUAR-UHFFFAOYSA-N 0 0 444.528 3.992 50 0 IHAARN COc1ccc(C)cc1N(C)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211180 132308993 /nfs/dbraw/zinc/30/89/93/132308993.db2.gz IPJOAJVUYUNSBY-GOSISDBHSA-N 0 0 448.571 3.749 50 0 IHAARN CCc1ccc(NC(=O)c2ccccc2NCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000009216618 132309391 /nfs/dbraw/zinc/30/93/91/132309391.db2.gz RDEFHHDWSBPGPY-UHFFFAOYSA-N 0 0 428.492 3.899 50 0 IHAARN COc1ccc(CCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1OC ZINC000009286930 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3.719 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000009504774 132319641 /nfs/dbraw/zinc/31/96/41/132319641.db2.gz SWTLWVZDEWFUCV-UHFFFAOYSA-N 0 0 431.536 3.989 50 0 IHAARN C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009512026 132320103 /nfs/dbraw/zinc/32/01/03/132320103.db2.gz RWDUGFWIRDVDTN-TUJADDFYSA-N 0 0 446.450 3.708 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528787 132320511 /nfs/dbraw/zinc/32/05/11/132320511.db2.gz WPRMJPAWPPMHNC-OAQYLSRUSA-N 0 0 438.959 3.638 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009530341 132320896 /nfs/dbraw/zinc/32/08/96/132320896.db2.gz MLOOCXGRNAYOHI-UHFFFAOYSA-N 0 0 445.566 3.926 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cccc(OC)c1 ZINC000009530315 132320900 /nfs/dbraw/zinc/32/09/00/132320900.db2.gz NVGYHZRDRMURGX-UHFFFAOYSA-N 0 0 433.555 3.732 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CSc3nnc(NCc4ccco4)s3)CC2)c1C ZINC000009617108 132323802 /nfs/dbraw/zinc/32/38/02/132323802.db2.gz QQKSAMKTDWYYDM-UHFFFAOYSA-N 0 0 443.598 3.801 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1c2ccccc2C[C@@H]1C ZINC000009635524 132324153 /nfs/dbraw/zinc/32/41/53/132324153.db2.gz VGDVGOZAAGYKNH-SFHVURJKSA-N 0 0 439.556 3.710 50 0 IHAARN CCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1N1CCCCC1 ZINC000009670142 132324872 /nfs/dbraw/zinc/32/48/72/132324872.db2.gz AUUITXFSRHYJJW-UHFFFAOYSA-N 0 0 432.546 3.628 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)CC1 ZINC000009693040 132326364 /nfs/dbraw/zinc/32/63/64/132326364.db2.gz BCUMAKARPXCMIO-UHFFFAOYSA-N 0 0 434.927 3.944 50 0 aggregator IHAARN C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009703432 132326541 /nfs/dbraw/zinc/32/65/41/132326541.db2.gz WKLULOOCBLGPBU-HZRUHFOJSA-N 0 0 438.402 3.719 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1C1CC1 ZINC000009711764 132326924 /nfs/dbraw/zinc/32/69/24/132326924.db2.gz HIDWMIZQACGFHL-UHFFFAOYSA-N 0 0 441.479 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/nfs/dbraw/zinc/33/30/81/132333081.db2.gz BLRXQNMYTOPZCG-UHFFFAOYSA-N 0 0 448.313 3.993 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000010013047 132333983 /nfs/dbraw/zinc/33/39/83/132333983.db2.gz UNHXQDKIXNQNAR-UHFFFAOYSA-N 0 0 426.542 3.820 50 0 IHAARN O=C(COC(=O)CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010624096 132336226 /nfs/dbraw/zinc/33/62/26/132336226.db2.gz OUHKXURSIAEBSI-UHFFFAOYSA-N 0 0 436.430 3.657 50 0 IHAARN CC(C)[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 ZINC000010857934 132336520 /nfs/dbraw/zinc/33/65/20/132336520.db2.gz FTMCMUHYKZLQQC-IBGZPJMESA-N 0 0 446.477 3.873 50 0 IHAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000010899230 132336636 /nfs/dbraw/zinc/33/66/36/132336636.db2.gz OPFFSMALVTXATG-UHFFFAOYSA-N 0 0 441.597 3.734 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4C)nn3)CC2)cc1OC ZINC000011695311 132338697 /nfs/dbraw/zinc/33/86/97/132338697.db2.gz XTOVFZYYCMAMAN-UHFFFAOYSA-N 0 0 446.551 3.669 50 0 IHAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)N1CCN(c2ccccc2)CC1 ZINC000011796761 132340411 /nfs/dbraw/zinc/34/04/11/132340411.db2.gz KHHHDQWLCFUOQG-UHFFFAOYSA-N 0 0 426.567 3.738 50 0 IHAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000013038770 132342945 /nfs/dbraw/zinc/34/29/45/132342945.db2.gz ZDOBLMSOHOCOAJ-UHFFFAOYSA-N 0 0 432.368 3.880 50 0 IHAARN CCCC1(CCC)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000013098023 132344379 /nfs/dbraw/zinc/34/43/79/132344379.db2.gz WQTPIBQNURLVCP-UHFFFAOYSA-N 0 0 426.483 3.676 50 0 IHAARN Cn1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000013364474 132346565 /nfs/dbraw/zinc/34/65/65/132346565.db2.gz VXFONIHJKMMNCS-UHFFFAOYSA-N 0 0 448.567 3.777 50 0 IHAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000013569575 132350620 /nfs/dbraw/zinc/35/06/20/132350620.db2.gz SXZFLARHDQHECP-NRFANRHFSA-N 0 0 428.492 3.713 50 0 IHAARN O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013665227 132352746 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444.553 3.860 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 ZINC000024607283 518425870 /nfs/dbraw/zinc/42/58/70/518425870.db2.gz JITVMHBMAZXFBS-UHFFFAOYSA-N 0 0 434.945 3.723 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)sc2C1 ZINC000012755183 518817713 /nfs/dbraw/zinc/81/77/13/518817713.db2.gz HXXBCEXCICRDAO-UHFFFAOYSA-N 0 0 431.514 3.850 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022406756 519006150 /nfs/dbraw/zinc/00/61/50/519006150.db2.gz FWXCOAKKOKZLKA-AWEZNQCLSA-N 0 0 429.464 3.811 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)cc1 ZINC000023135477 519014524 /nfs/dbraw/zinc/01/45/24/519014524.db2.gz HROKIQNKHZPLOM-UHFFFAOYSA-N 0 0 430.512 3.644 50 0 IHAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012845435 519042761 /nfs/dbraw/zinc/04/27/61/519042761.db2.gz CVKNBUNBAAMPLW-FDDCHVKYSA-N 0 0 430.932 3.844 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000035526958 519440153 /nfs/dbraw/zinc/44/01/53/519440153.db2.gz RFLGOJSPGLLCDT-DEOSSOPVSA-N 0 0 428.598 3.992 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)C[C@H]1C ZINC000034707112 519474533 /nfs/dbraw/zinc/47/45/33/519474533.db2.gz DIZGEBZTPSEBMO-MRXNPFEDSA-N 0 0 432.503 3.777 50 0 IHAARN CC(C)Cc1noc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)n1 ZINC000012816149 519479800 /nfs/dbraw/zinc/47/98/00/519479800.db2.gz KVGATKBMIIUZMC-ZDUSSCGKSA-N 0 0 446.598 4.000 50 0 IHAARN CC(C)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3O2)nnc1SCc1ccccc1F ZINC000012149916 519485347 /nfs/dbraw/zinc/48/53/47/519485347.db2.gz ULCFRUOGEDRQPD-FQEVSTJZSA-N 0 0 440.544 3.985 50 0 IHAARN CC(C)Cn1c2nnc(CCC(=O)NC[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000035528565 519491532 /nfs/dbraw/zinc/49/15/32/519491532.db2.gz ZQPIKDIBVBBBJQ-MRXNPFEDSA-N 0 0 437.569 3.614 50 0 IHAARN CC(=O)N1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)CC1 ZINC000035503991 519583289 /nfs/dbraw/zinc/58/32/89/519583289.db2.gz CYPYKMBACRDNPI-AREMUKBSSA-N 0 0 440.547 3.682 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)Nc3c(C)cc(C)cc3C)ccc21 ZINC000021871946 519633301 /nfs/dbraw/zinc/63/33/01/519633301.db2.gz KNRBWBJPERHUEF-KRWDZBQOSA-N 0 0 428.554 3.712 50 0 IHAARN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000048374134 519634486 /nfs/dbraw/zinc/63/44/86/519634486.db2.gz MAWJCGZYDDLZEE-DYESRHJHSA-N 0 0 427.957 3.991 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCOc3ccc(C)cc3C)c2)S1 ZINC000020896526 519643391 /nfs/dbraw/zinc/64/33/91/519643391.db2.gz VQXCFPLQSGLONC-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3ccc(C)cc3)cc2)S1 ZINC000020895643 519643614 /nfs/dbraw/zinc/64/36/14/519643614.db2.gz BDHUACUAQBCOFF-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3ccccc3C)c2)S1 ZINC000020896553 519643669 /nfs/dbraw/zinc/64/36/69/519643669.db2.gz MXSVUFWSKVXBGW-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)o1 ZINC000012050735 519675542 /nfs/dbraw/zinc/67/55/42/519675542.db2.gz QMHOPYTZNFJGEB-JTQLQIEISA-N 0 0 442.522 3.724 50 0 IHAARN CC(C)CCn1c2nnc(SCC(=O)NC3CCCCC3)n2c2ccsc2c1=O ZINC000035531610 519701004 /nfs/dbraw/zinc/70/10/04/519701004.db2.gz CCUHMTKKXLNDIJ-UHFFFAOYSA-N 0 0 433.603 3.693 50 0 IHAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(C)C ZINC000036042839 519710141 /nfs/dbraw/zinc/71/01/41/519710141.db2.gz CGPAUYYRIXUYBR-UHFFFAOYSA-N 0 0 438.569 3.905 50 0 IHAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 ZINC000021705652 519715567 /nfs/dbraw/zinc/71/55/67/519715567.db2.gz OLGPHYVYZRVWAN-KRWDZBQOSA-N 0 0 427.932 3.969 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c1 ZINC000012404469 519741586 /nfs/dbraw/zinc/74/15/86/519741586.db2.gz SOFDBWMASHNSBN-UHFFFAOYSA-N 0 0 436.512 3.987 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000012296908 519741624 /nfs/dbraw/zinc/74/16/24/519741624.db2.gz ROKSHVSRQIMTQE-UHFFFAOYSA-N 0 0 433.512 3.613 50 0 biogenic IHAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2s1 ZINC000021353002 519753242 /nfs/dbraw/zinc/75/32/42/519753242.db2.gz HAYRJJNTHWWAHU-UHFFFAOYSA-N 0 0 426.517 3.675 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021862150 519762193 /nfs/dbraw/zinc/76/21/93/519762193.db2.gz GLDXQMVUMLIJCN-VWLOTQADSA-N 0 0 440.588 3.905 50 0 IHAARN CC(C)OCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC000022698754 519764166 /nfs/dbraw/zinc/76/41/66/519764166.db2.gz DODRUZDFNUABFN-UHFFFAOYSA-N 0 0 438.528 3.995 50 0 IHAARN CC(C)Sc1nc2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012520352 519788552 /nfs/dbraw/zinc/78/85/52/519788552.db2.gz VOJGPBUOPMUOBP-UHFFFAOYSA-N 0 0 431.583 3.606 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1nncn1Cc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000022197024 519818732 /nfs/dbraw/zinc/81/87/32/519818732.db2.gz PRLXEGKOKXRHTH-NRFANRHFSA-N 0 0 442.541 3.686 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035375817 519820283 /nfs/dbraw/zinc/82/02/83/519820283.db2.gz CWLXILWUFLECLR-IBGZPJMESA-N 0 0 440.475 3.629 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000022482937 519821257 /nfs/dbraw/zinc/82/12/57/519821257.db2.gz FXBQDDRMOALLID-NRFANRHFSA-N 0 0 443.594 3.848 50 0 IHAARN CC(C)c1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000012130553 519838123 /nfs/dbraw/zinc/83/81/23/519838123.db2.gz HAHUEEBGVQYHJC-UHFFFAOYSA-N 0 0 447.539 3.853 50 0 IHAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000001264679 534464877 /nfs/dbraw/zinc/46/48/77/534464877.db2.gz AEGNKAMRKDAATE-UHFFFAOYSA-N 0 0 430.599 3.570 50 0 IHAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248251561 520193167 /nfs/dbraw/zinc/19/31/67/520193167.db2.gz JDZOWKQXEHPTLN-DNVKUUNQSA-N 0 0 448.604 3.687 50 0 IHAARN CC1(C(=O)NCc2ccc(F)cc2)CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000035530287 520225925 /nfs/dbraw/zinc/22/59/25/520225925.db2.gz JUENYOFZXSJAKZ-UHFFFAOYSA-N 0 0 427.476 3.547 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc2c(cc1Br)OCCO2 ZINC000012926671 520355115 /nfs/dbraw/zinc/35/51/15/520355115.db2.gz JWTYGTRHRLFYML-UHFFFAOYSA-N 0 0 441.272 3.959 50 0 IHAARN CCNc1nc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)nc2ccccc21 ZINC000016397490 520357856 /nfs/dbraw/zinc/35/78/56/520357856.db2.gz DIIIDPXXIPXWFU-UHFFFAOYSA-N 0 0 443.960 3.904 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018265627 520386997 /nfs/dbraw/zinc/38/69/97/520386997.db2.gz NTQWYCFNPRBDKI-QFIPXVFZSA-N 0 0 425.504 3.823 50 0 IHAARN CCCOc1ccc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000012873177 520433896 /nfs/dbraw/zinc/43/38/96/520433896.db2.gz SYJPTZGNDKNRFC-DWXRJYCRSA-N 0 0 447.535 3.675 50 0 biogenic IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000035767743 520440840 /nfs/dbraw/zinc/44/08/40/520440840.db2.gz NBDHYKAQCBTZCP-QFIPXVFZSA-N 0 0 427.545 3.799 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000012314458 520462606 /nfs/dbraw/zinc/46/26/06/520462606.db2.gz IKUXBPCBBNNFIO-LJQANCHMSA-N 0 0 425.525 3.877 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CSc2ccncc2)CC1 ZINC000012434882 520462996 /nfs/dbraw/zinc/46/29/96/520462996.db2.gz OLCXGTSCJKMXBY-UHFFFAOYSA-N 0 0 428.554 3.597 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000012747998 520463328 /nfs/dbraw/zinc/46/33/28/520463328.db2.gz JYBDBDIAORQVFA-IBGZPJMESA-N 0 0 432.517 3.610 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2c(F)cccc2Cl)NC(=O)N[C@@H]1c1cccs1 ZINC000012489171 520522767 /nfs/dbraw/zinc/52/27/67/520522767.db2.gz GHEZFNUFANUGGX-MRXNPFEDSA-N 0 0 438.864 3.569 50 0 IHAARN CCOC(=O)C1=NN(c2ccc(Br)cc2)C=C(CCO)[P@@]1(=O)OCC ZINC000002320288 520543582 /nfs/dbraw/zinc/54/35/82/520543582.db2.gz LRXXZGISQDSUIP-RUZDIDTESA-N 0 0 431.223 3.684 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CCCCN21 ZINC000035445675 520558074 /nfs/dbraw/zinc/55/80/74/520558074.db2.gz FQIIUQAQZPIZJU-QFIPXVFZSA-N 0 0 448.567 3.821 50 0 IHAARN CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000018970385 520558796 /nfs/dbraw/zinc/55/87/96/520558796.db2.gz YASIGROCIMEHDU-UHFFFAOYSA-N 0 0 448.523 3.767 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 ZINC000010967711 520695651 /nfs/dbraw/zinc/69/56/51/520695651.db2.gz KBVQRBGTLWMXQL-UHFFFAOYSA-N 0 0 429.546 3.651 50 0 IHAARN CCC[C@@H](NC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)c1cccs1 ZINC000021649792 520736332 /nfs/dbraw/zinc/73/63/32/520736332.db2.gz BCUQRMFFRGDDDD-LJQANCHMSA-N 0 0 447.560 3.931 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)ccc1C ZINC000020893732 520780568 /nfs/dbraw/zinc/78/05/68/520780568.db2.gz FMLSNOVMLDRPGF-UHFFFAOYSA-N 0 0 445.972 3.951 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000012787223 520796338 /nfs/dbraw/zinc/79/63/38/520796338.db2.gz VOSXJDVEQCTGQR-UHFFFAOYSA-N 0 0 446.859 3.944 50 0 IHAARN CCOc1cc2c(cc1OCC)CN(CN1C(=O)NC3(C1=O)[C@@H](C)CCC[C@@H]3C)CC2 ZINC000012740017 520797785 /nfs/dbraw/zinc/79/77/85/520797785.db2.gz HEPBKGWTGLOXJF-IRXDYDNUSA-N 0 0 429.561 3.546 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000014934532 520798460 /nfs/dbraw/zinc/79/84/60/520798460.db2.gz GHPDPVIQESYRIP-IBGZPJMESA-N 0 0 443.613 3.851 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 ZINC000012466775 520808502 /nfs/dbraw/zinc/80/85/02/520808502.db2.gz JIMKOOXOYFPZGG-UHFFFAOYSA-N 0 0 447.557 3.573 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)NC(=O)N1C ZINC000035707636 520815558 /nfs/dbraw/zinc/81/55/58/520815558.db2.gz BFXDONWNDLDZED-JOCHJYFZSA-N 0 0 439.487 3.929 50 0 IHAARN CCOc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1OC ZINC000023125790 520828959 /nfs/dbraw/zinc/82/89/59/520828959.db2.gz KQBRIEACJDIEAQ-OAHLLOKOSA-N 0 0 449.554 3.774 50 0 IHAARN CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000012404162 520863149 /nfs/dbraw/zinc/86/31/49/520863149.db2.gz ULRYWPLYVWEOSP-UHFFFAOYSA-N 0 0 433.302 3.573 50 0 IHAARN CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCCOC)o2)n1 ZINC000036038746 520875746 /nfs/dbraw/zinc/87/57/46/520875746.db2.gz BUOIWUNMCIEYES-UHFFFAOYSA-N 0 0 432.468 3.603 50 0 IHAARN CCOC(=O)C[C@H](CC(C)C)NC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020500988 520885747 /nfs/dbraw/zinc/88/57/47/520885747.db2.gz JEFZAPDYQVPVIT-KRWDZBQOSA-N 0 0 425.485 3.900 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000012767562 520898599 /nfs/dbraw/zinc/89/85/99/520898599.db2.gz SJQJWLAERQGYOM-UHFFFAOYSA-N 0 0 443.352 3.539 50 0 IHAARN CCOc1ccc(CCNC(=O)CCN2N=C(c3ccccc3)CCC2=O)cc1OCC ZINC000020731644 520948992 /nfs/dbraw/zinc/94/89/92/520948992.db2.gz QQFSPCLSIFDXBV-UHFFFAOYSA-N 0 0 437.540 3.560 50 0 IHAARN CCOC(=O)N1CCN(Cn2ccn(-c3ccc(Br)cc3)c2=S)CC1 ZINC000012561388 520954502 /nfs/dbraw/zinc/95/45/02/520954502.db2.gz OLDHCRVDEHFVSY-UHFFFAOYSA-N 0 0 425.352 3.502 50 0 IHAARN CCOc1ccc(CN(C)C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000012781976 520958823 /nfs/dbraw/zinc/95/88/23/520958823.db2.gz RALVFQNJWZYHNA-UHFFFAOYSA-N 0 0 449.536 3.671 50 0 IHAARN CCOC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000012409309 520958877 /nfs/dbraw/zinc/95/88/77/520958877.db2.gz PJIQDVDAPJJRML-QFIPXVFZSA-N 0 0 437.496 3.647 50 0 IHAARN CCOC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000012413566 520961350 /nfs/dbraw/zinc/96/13/50/520961350.db2.gz RSMINQDLGNMKJM-UHFFFAOYSA-N 0 0 447.919 3.888 50 0 IHAARN CC1CCN(C(=O)[C@H]2c3ccccc3CCN2CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000033312857 520987689 /nfs/dbraw/zinc/98/76/89/520987689.db2.gz BFKAJBLHNVKBKB-HSZRJFAPSA-N 0 0 427.495 3.761 50 0 IHAARN CC1CCN(C(=O)[C@H]2c3ccccc3CCN2CC(=O)NCc2ccccc2Cl)CC1 ZINC000033312881 520988168 /nfs/dbraw/zinc/98/81/68/520988168.db2.gz QBXGKJDHQXBAPV-XMMPIXPASA-N 0 0 439.987 3.814 50 0 IHAARN CCOc1ccc(N(Cc2cc(C)ccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167227 521029225 /nfs/dbraw/zinc/02/92/25/521029225.db2.gz YBRTXAQBGPMBLT-RTWAWAEBSA-N 0 0 430.595 3.977 50 0 IHAARN CCCC[C@@H](CC)CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000012898267 521030996 /nfs/dbraw/zinc/03/09/96/521030996.db2.gz HWQGTKVQVVSWPY-UTKZUKDTSA-N 0 0 426.561 3.744 50 0 biogenic IHAARN CC1CCN(c2nc3ncnc(SCC(=O)N4CCc5ccccc5C4)c3s2)CC1 ZINC000035533386 521047940 /nfs/dbraw/zinc/04/79/40/521047940.db2.gz XNCDKIWEEDDDJL-UHFFFAOYSA-N 0 0 439.610 4.000 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)n2C2CC2)CC1 ZINC000021700939 521050149 /nfs/dbraw/zinc/05/01/49/521050149.db2.gz YMAAADKGXXJMKG-GOSISDBHSA-N 0 0 427.574 3.581 50 0 IHAARN CCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1S(=O)(=O)N(C)C ZINC000012690710 521053727 /nfs/dbraw/zinc/05/37/27/521053727.db2.gz DXNGLRODMIEYDF-UHFFFAOYSA-N 0 0 438.571 3.616 50 0 IHAARN CCCC[C@H](CC)CNC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012863488 521178709 /nfs/dbraw/zinc/17/87/09/521178709.db2.gz HBPHGEOCKVHMIJ-TZPNTHKFSA-N 0 0 438.572 3.925 50 0 biogenic IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000012711820 521180906 /nfs/dbraw/zinc/18/09/06/521180906.db2.gz NKWFGOAETWXUJU-JOCHJYFZSA-N 0 0 433.501 3.687 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000035526951 521194891 /nfs/dbraw/zinc/19/48/91/521194891.db2.gz HGHORDMHPWCVIP-HSZRJFAPSA-N 0 0 430.570 3.501 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 ZINC000035596935 521195183 /nfs/dbraw/zinc/19/51/83/521195183.db2.gz LTWYPOVMRZUALZ-KRWDZBQOSA-N 0 0 445.516 3.767 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000012788073 521275842 /nfs/dbraw/zinc/27/58/42/521275842.db2.gz HIMZYQRLFJHXBE-QFIPXVFZSA-N 0 0 437.927 3.950 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)c2c1 ZINC000020463625 521310589 /nfs/dbraw/zinc/31/05/89/521310589.db2.gz WCRXZDHFXIRGFN-UHFFFAOYSA-N 0 0 426.900 3.803 50 0 IHAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)C3CC3)CC2)n1 ZINC000035912794 521311765 /nfs/dbraw/zinc/31/17/65/521311765.db2.gz DYQFROVMWGKISS-UHFFFAOYSA-N 0 0 432.572 3.915 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000011843226 521358881 /nfs/dbraw/zinc/35/88/81/521358881.db2.gz AGEOEANSJWTEIN-DEOSSOPVSA-N 0 0 427.472 3.966 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCCOC)C(=O)c2ccc(F)cc2)c1C ZINC000036003541 521363914 /nfs/dbraw/zinc/36/39/14/521363914.db2.gz YUZIYBXGTXNLFI-MRXNPFEDSA-N 0 0 432.492 3.697 50 0 IHAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000012412356 521381467 /nfs/dbraw/zinc/38/14/67/521381467.db2.gz GVHBMBDKVBXHMC-FQEVSTJZSA-N 0 0 447.457 3.558 50 0 IHAARN CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N1CCc2sccc2C1 ZINC000012780521 521400091 /nfs/dbraw/zinc/40/00/91/521400091.db2.gz CFKUMMBCGKRNOP-UHFFFAOYSA-N 0 0 443.550 3.960 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(OC)cc3)CC2)cc1 ZINC000035531398 521406801 /nfs/dbraw/zinc/40/68/01/521406801.db2.gz ZXCGNNGWLVHGIQ-UHFFFAOYSA-N 0 0 444.597 3.755 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000014900048 521454017 /nfs/dbraw/zinc/45/40/17/521454017.db2.gz SWUMOWBNHLXWOA-OAHLLOKOSA-N 0 0 438.915 3.516 50 0 IHAARN CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Br ZINC000012816737 521474884 /nfs/dbraw/zinc/47/48/84/521474884.db2.gz VYKAXDJRNPDKRQ-CQSZACIVSA-N 0 0 425.348 3.795 50 0 IHAARN CCOC(=O)c1ccc(CNC(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)o1 ZINC000012100270 521475486 /nfs/dbraw/zinc/47/54/86/521475486.db2.gz KPIUXZVXMIGUDO-AREMUKBSSA-N 0 0 448.519 3.897 50 0 IHAARN CCOc1ccccc1CNC(=O)CCCn1nc(CC)n2c3cc(C)oc3cc2c1=O ZINC000020862518 521488675 /nfs/dbraw/zinc/48/86/75/521488675.db2.gz QGRALWAYTKTIIC-UHFFFAOYSA-N 0 0 436.512 3.608 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C)n2)c1 ZINC000024576773 521498555 /nfs/dbraw/zinc/49/85/55/521498555.db2.gz KFKOCKINDVBHHJ-UHFFFAOYSA-N 0 0 425.510 3.866 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033122510 521536996 /nfs/dbraw/zinc/53/69/96/521536996.db2.gz MUGRMKMRFFIGIR-UHFFFAOYSA-N 0 0 437.949 3.714 50 0 IHAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)C3CCCC3)cc2)C(C(=O)OCCOC)=C1C ZINC000035729594 521540134 /nfs/dbraw/zinc/54/01/34/521540134.db2.gz ABRXTJWFIZWSFU-FQEVSTJZSA-N 0 0 445.585 3.530 50 0 IHAARN CCOc1ccccc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCCC3)ccc21 ZINC000021714226 521540629 /nfs/dbraw/zinc/54/06/29/521540629.db2.gz GYAHQYDLSIGMDA-UHFFFAOYSA-N 0 0 435.528 3.883 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000020804764 521556996 /nfs/dbraw/zinc/55/69/96/521556996.db2.gz VLDIVGSEMCDEMT-UHFFFAOYSA-N 0 0 443.459 3.823 50 0 IHAARN CCCn1c2nnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)n2c2ccsc2c1=O ZINC000035528655 521641484 /nfs/dbraw/zinc/64/14/84/521641484.db2.gz ZJHDWHHLQTVJKJ-UHFFFAOYSA-N 0 0 445.932 3.749 50 0 IHAARN CCCN(Cn1nc(-c2ccc(Cl)cc2)n(CC)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012813255 521696490 /nfs/dbraw/zinc/69/64/90/521696490.db2.gz GPVNPKPUIGUODL-INIZCTEOSA-N 0 0 429.011 3.611 50 0 IHAARN CCOCCCN(C(=O)c1cccc(F)c1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004188 521704127 /nfs/dbraw/zinc/70/41/27/521704127.db2.gz ORRDOGCGMJLUOW-MRXNPFEDSA-N 0 0 432.492 3.697 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)c1cccc(F)c1 ZINC000035993222 521704544 /nfs/dbraw/zinc/70/45/44/521704544.db2.gz XYYOZNGRYBSUSH-UHFFFAOYSA-N 0 0 432.492 3.699 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(C)c1C)C(=O)c1cccs1 ZINC000035993189 521704615 /nfs/dbraw/zinc/70/46/15/521704615.db2.gz TZEGSSBXJWMUHQ-UHFFFAOYSA-N 0 0 434.558 3.632 50 0 IHAARN CCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021863091 521706127 /nfs/dbraw/zinc/70/61/27/521706127.db2.gz YUFYJKPHOJMJEM-DEOSSOPVSA-N 0 0 427.545 3.838 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158721 521710500 /nfs/dbraw/zinc/71/05/00/521710500.db2.gz SLZHFRZGHPDSEU-UHFFFAOYSA-N 0 0 438.547 3.983 50 0 IHAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)CC(C)C ZINC000036042834 521739558 /nfs/dbraw/zinc/73/95/58/521739558.db2.gz PECGFIWBDUFRKU-UHFFFAOYSA-N 0 0 438.569 3.765 50 0 IHAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(C(C)=O)CC3)c3ccc(OC)cc3)c[nH]c21 ZINC000035888863 521792915 /nfs/dbraw/zinc/79/29/15/521792915.db2.gz FVDAOHZONPXJSY-QHCPKHFHSA-N 0 0 433.552 3.952 50 0 IHAARN CC[C@@H](C(=O)N[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607654 521859177 /nfs/dbraw/zinc/85/91/77/521859177.db2.gz LCZHATCMILARTQ-PWSUYJOCSA-N 0 0 437.388 3.762 50 0 IHAARN COc1cc(-c2ncc(C(=O)NCC(C)C)c(N3CCCC[C@@H]3C)n2)cc(OC)c1OC ZINC000035987885 521907514 /nfs/dbraw/zinc/90/75/14/521907514.db2.gz ZTMDZYSPORWISP-INIZCTEOSA-N 0 0 442.560 3.934 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc(OC)c1OC ZINC000012532752 521909538 /nfs/dbraw/zinc/90/95/38/521909538.db2.gz JBIHSSCTJIOUBJ-KCQAQPDRSA-N 0 0 435.546 3.795 50 0 IHAARN CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)Cc2nc3ccccc3s2)c1=O ZINC000012125861 521924238 /nfs/dbraw/zinc/92/42/38/521924238.db2.gz ZCGNQTKCCMBHHL-UHFFFAOYSA-N 0 0 438.553 3.595 50 0 IHAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)nn2C)C3)cc1 ZINC000012123681 521924662 /nfs/dbraw/zinc/92/46/62/521924662.db2.gz WIQDIWIXUBJYAT-SFHVURJKSA-N 0 0 439.899 3.569 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C2SCCS2)cc1 ZINC000015718753 521990734 /nfs/dbraw/zinc/99/07/34/521990734.db2.gz UARILHNIGMMFOF-UHFFFAOYSA-N 0 0 434.608 3.618 50 0 IHAARN CC[C@H](C)c1ccc(NC(=O)CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 ZINC000012634692 522035830 /nfs/dbraw/zinc/03/58/30/522035830.db2.gz PKHGPWZGOXLKEA-HNNXBMFYSA-N 0 0 431.558 3.700 50 0 IHAARN COCCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CCCC3 ZINC000012770953 522072450 /nfs/dbraw/zinc/07/24/50/522072450.db2.gz UPGYKHPUAHPIKA-UHFFFAOYSA-N 0 0 448.566 3.964 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000000669004 522121735 /nfs/dbraw/zinc/12/17/35/522121735.db2.gz WKJYRNBWHLBVJG-UHFFFAOYSA-N 0 0 432.432 3.764 50 0 IHAARN CCc1nc(-c2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc2)cs1 ZINC000065032335 522141835 /nfs/dbraw/zinc/14/18/35/522141835.db2.gz BMKMOITZGZZVAT-UHFFFAOYSA-N 0 0 426.523 3.901 50 0 IHAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 ZINC000035911580 522172985 /nfs/dbraw/zinc/17/29/85/522172985.db2.gz BJKLARIRVGFELA-OAHLLOKOSA-N 0 0 449.580 3.991 50 0 IHAARN COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000021573060 522179829 /nfs/dbraw/zinc/17/98/29/522179829.db2.gz VWEPYXYSZUTISW-GFCCVEGCSA-N 0 0 439.249 3.908 50 0 IHAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 ZINC000012910974 522253762 /nfs/dbraw/zinc/25/37/62/522253762.db2.gz OCEHQWMPHIEARG-CYBMUJFWSA-N 0 0 445.368 3.878 50 0 IHAARN CC[C@@H](C)[C@@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000009665388 522277517 /nfs/dbraw/zinc/27/75/17/522277517.db2.gz JBYQLYUPAYOHQD-XMSQKQJNSA-N 0 0 431.554 3.581 50 0 IHAARN CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1 ZINC000012897150 522289807 /nfs/dbraw/zinc/28/98/07/522289807.db2.gz WPYLHYYMMCCGLH-UHFFFAOYSA-N 0 0 442.522 3.729 50 0 IHAARN COC(=O)c1ccccc1[C@H]1NC(=S)N(c2ccc(C)c(F)c2)C(C)=C1C(=O)OC ZINC000012557859 522289892 /nfs/dbraw/zinc/28/98/92/522289892.db2.gz IYZWLCKJKHYFRH-LJQANCHMSA-N 0 0 428.485 3.804 50 0 IHAARN COc1cc(CC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012540897 522318555 /nfs/dbraw/zinc/31/85/55/522318555.db2.gz ZUIRBZGKBFICKW-HXUWFJFHSA-N 0 0 429.904 3.548 50 0 IHAARN COc1cc(CNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000021018971 522430213 /nfs/dbraw/zinc/43/02/13/522430213.db2.gz FCKREOVDQHZLNQ-NRFANRHFSA-N 0 0 446.503 3.600 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035990239 522468357 /nfs/dbraw/zinc/46/83/57/522468357.db2.gz HGIGHSHEKAWLDR-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000036001932 522468880 /nfs/dbraw/zinc/46/88/80/522468880.db2.gz HVFPTZBLZMWETG-UHFFFAOYSA-N 0 0 432.553 3.710 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000024670784 522512739 /nfs/dbraw/zinc/51/27/39/522512739.db2.gz BGDGDQMSIBXCBM-JOCHJYFZSA-N 0 0 433.483 3.784 50 0 IHAARN CCc1nc2sc([C@@H](c3ccc(CC)cc3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853643 522535008 /nfs/dbraw/zinc/53/50/08/522535008.db2.gz CZOZWELGKMPWMN-GOSISDBHSA-N 0 0 428.558 3.596 50 0 IHAARN CCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccccc4)CC2)n1)CCCC3 ZINC000035867858 522538592 /nfs/dbraw/zinc/53/85/92/522538592.db2.gz LWRMMMQKSFJASA-UHFFFAOYSA-N 0 0 442.610 3.643 50 0 IHAARN CCc1nn(CCCC(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862326 522704608 /nfs/dbraw/zinc/70/46/08/522704608.db2.gz GAWCRKVJPIRKLL-UHFFFAOYSA-N 0 0 426.904 3.863 50 0 IHAARN COc1cc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc(OC)c1 ZINC000033126617 522721035 /nfs/dbraw/zinc/72/10/35/522721035.db2.gz AHYAGDONCHJJFT-UHFFFAOYSA-N 0 0 436.439 3.765 50 0 IHAARN CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000012857129 522761919 /nfs/dbraw/zinc/76/19/19/522761919.db2.gz HNBYISJGWVRJMK-UHFFFAOYSA-N 0 0 444.582 3.941 50 0 IHAARN CCc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000012597565 522783761 /nfs/dbraw/zinc/78/37/61/522783761.db2.gz IFQHVEXZDMOXOQ-CYBMUJFWSA-N 0 0 427.448 3.864 50 0 IHAARN COc1cc(OC)c(NC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)cc1Cl ZINC000015962367 522811383 /nfs/dbraw/zinc/81/13/83/522811383.db2.gz XRMCAMLMCDKKIA-UHFFFAOYSA-N 0 0 425.872 3.953 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 ZINC000012533039 522857278 /nfs/dbraw/zinc/85/72/78/522857278.db2.gz XSTQBLCZSSXOGP-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN COCc1c(C(=O)NCc2cccnc2)c(=O)cc(C)n1CCc1ccccc1Cl ZINC000012152877 522898752 /nfs/dbraw/zinc/89/87/52/522898752.db2.gz RPYFTJFMVVPVPV-UHFFFAOYSA-N 0 0 425.916 3.524 50 0 IHAARN COc1cc([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044382 522960636 /nfs/dbraw/zinc/96/06/36/522960636.db2.gz PIWVBKURXVLLKL-UXHICEINSA-N 0 0 446.588 3.607 50 0 IHAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000020895554 522969068 /nfs/dbraw/zinc/96/90/68/522969068.db2.gz ALRGFKZVXNYJSK-GOSISDBHSA-N 0 0 447.900 3.569 50 0 IHAARN COc1cc2[nH]c3c(ncn(CCC(=O)Nc4ccc(F)c(Cl)c4)c3=O)c2cc1OC ZINC000035424018 522987508 /nfs/dbraw/zinc/98/75/08/522987508.db2.gz LIGJMBDIPDYYEE-UHFFFAOYSA-N 0 0 444.850 3.716 50 0 IHAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 ZINC000020730066 523072287 /nfs/dbraw/zinc/07/22/87/523072287.db2.gz YLDGTXWPZIIWID-QHCPKHFHSA-N 0 0 428.448 3.944 50 0 IHAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCCc2cccs2)C3)nn1 ZINC000012097122 523109868 /nfs/dbraw/zinc/10/98/68/523109868.db2.gz AASDLQXMQCIOHI-MRXNPFEDSA-N 0 0 427.501 3.795 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)ccn3n2)cc1OC ZINC000015778809 523118724 /nfs/dbraw/zinc/11/87/24/523118724.db2.gz ZMMXJPXUUPBUPG-UHFFFAOYSA-N 0 0 446.507 3.942 50 0 IHAARN CCn1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccccc2)c(C)c1C(=O)OC ZINC000036018575 523123446 /nfs/dbraw/zinc/12/34/46/523123446.db2.gz POWIGPGLVMAXNP-UHFFFAOYSA-N 0 0 433.508 3.832 50 0 IHAARN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000012783412 523132164 /nfs/dbraw/zinc/13/21/64/523132164.db2.gz UDCHDVWMNIJSFE-UHFFFAOYSA-N 0 0 444.384 3.578 50 0 IHAARN CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N(C)CC(C)C)c21 ZINC000012159124 523145527 /nfs/dbraw/zinc/14/55/27/523145527.db2.gz VCAFAXRZQVPQCC-UHFFFAOYSA-N 0 0 428.558 3.893 50 0 IHAARN COc1ccc(-c2cnnn2-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC ZINC000012616756 523157021 /nfs/dbraw/zinc/15/70/21/523157021.db2.gz AKKFBVMMALRIDP-UHFFFAOYSA-N 0 0 426.432 3.752 50 0 IHAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)s1 ZINC000033032184 523250587 /nfs/dbraw/zinc/25/05/87/523250587.db2.gz MEMLSNZEEJLPAM-UHFFFAOYSA-N 0 0 440.525 3.654 50 0 IHAARN CCn1c2cc(NS(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000013361274 523259197 /nfs/dbraw/zinc/25/91/97/523259197.db2.gz LFTLXFSZQRJORB-UHFFFAOYSA-N 0 0 442.585 3.942 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(CC(=O)c4c(C)[nH]c5ccccc54)CC3)n2)cc1 ZINC000023185558 523290984 /nfs/dbraw/zinc/29/09/84/523290984.db2.gz SGZFDYACYOURNP-UHFFFAOYSA-N 0 0 445.523 3.535 50 0 IHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(C)=O)C(C)C)cc1OC ZINC000036049301 523327184 /nfs/dbraw/zinc/32/71/84/523327184.db2.gz CYFIGIGHWKSWNB-UHFFFAOYSA-N 0 0 436.512 3.752 50 0 IHAARN COc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000020728532 523353207 /nfs/dbraw/zinc/35/32/07/523353207.db2.gz CXQKESBJQKLVMM-HXUWFJFHSA-N 0 0 439.269 3.873 50 0 IHAARN CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015385128 523444891 /nfs/dbraw/zinc/44/48/91/523444891.db2.gz RGOCSBZHRLHVST-UHFFFAOYSA-N 0 0 426.563 3.767 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2n1 ZINC000020981802 523489308 /nfs/dbraw/zinc/48/93/08/523489308.db2.gz DVUBKRRWSBFXGD-UHFFFAOYSA-N 0 0 437.500 3.531 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)ccc21 ZINC000021646512 523495479 /nfs/dbraw/zinc/49/54/79/523495479.db2.gz SULMVMJCUPQQEE-NRFANRHFSA-N 0 0 439.581 3.687 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cccc(C)c4)CC3)ccc21 ZINC000021938960 523497044 /nfs/dbraw/zinc/49/70/44/523497044.db2.gz PVNCJIVDZVEQNG-UHFFFAOYSA-N 0 0 440.569 3.898 50 0 IHAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 ZINC000012391331 523498834 /nfs/dbraw/zinc/49/88/34/523498834.db2.gz PMMHEAKMNQRTLT-UHFFFAOYSA-N 0 0 434.489 3.959 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012741729 523571326 /nfs/dbraw/zinc/57/13/26/523571326.db2.gz XCXOALVEVZNESB-UHFFFAOYSA-N 0 0 436.552 3.844 50 0 IHAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccn2C)cc1 ZINC000035948799 523600487 /nfs/dbraw/zinc/60/04/87/523600487.db2.gz GSYUOOCSOSJQCK-FQEVSTJZSA-N 0 0 436.537 3.545 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O ZINC000008862224 523629999 /nfs/dbraw/zinc/62/99/99/523629999.db2.gz NIIZMVVJIHIQEJ-RUZDIDTESA-N 0 0 440.459 3.997 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035947105 523651445 /nfs/dbraw/zinc/65/14/45/523651445.db2.gz FLHUPLQEKZKYIJ-QHCPKHFHSA-N 0 0 437.515 3.779 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)NC(C)C ZINC000035947187 523655345 /nfs/dbraw/zinc/65/53/45/523655345.db2.gz FONMRWHITCYQRU-FQEVSTJZSA-N 0 0 442.585 3.801 50 0 IHAARN COc1ccc(C(=O)NC(=S)N(C)c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000012293661 523681063 /nfs/dbraw/zinc/68/10/63/523681063.db2.gz CYRMPCZQLZTJEN-UHFFFAOYSA-N 0 0 433.533 3.776 50 0 IHAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)CC(=O)Nc1ccc(OC)cc1 ZINC000036727065 523697197 /nfs/dbraw/zinc/69/71/97/523697197.db2.gz FDCNFNUWBNRPDR-UHFFFAOYSA-N 0 0 443.507 3.838 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)COC ZINC000035976215 523738051 /nfs/dbraw/zinc/73/80/51/523738051.db2.gz KAPXVSSGSJOBLX-UHFFFAOYSA-N 0 0 445.466 3.873 50 0 IHAARN COc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(O)c1 ZINC000012757335 523744825 /nfs/dbraw/zinc/74/48/25/523744825.db2.gz FNLIEFNWPMFLDQ-UHFFFAOYSA-N 0 0 448.884 3.813 50 0 IHAARN COc1ccc(C(=O)Nc2cccc([C@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)cc1 ZINC000035707574 523756671 /nfs/dbraw/zinc/75/66/71/523756671.db2.gz AHCDDQXWRXDRHU-OAQYLSRUSA-N 0 0 437.496 3.869 50 0 IHAARN COc1ccc(C(C)=O)c(OCC(=O)Nc2cccc(I)c2)c1 ZINC000022744443 523791147 /nfs/dbraw/zinc/79/11/47/523791147.db2.gz GNCIXTAPZUQGEE-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN COc1ccc(C(C)=O)cc1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000012380068 523792606 /nfs/dbraw/zinc/79/26/06/523792606.db2.gz VYXFVYLFVDWAPM-UHFFFAOYSA-N 0 0 438.553 3.603 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C12CCCC2 ZINC000044890524 523808935 /nfs/dbraw/zinc/80/89/35/523808935.db2.gz JGZOHVJIVOVJJT-QFIPXVFZSA-N 0 0 435.524 3.782 50 0 IHAARN CO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)Cc2ccsc2)C1)c1ccccc1 ZINC000012248173 523824988 /nfs/dbraw/zinc/82/49/88/523824988.db2.gz AZBZFOSVZRWQIG-DEOSSOPVSA-N 0 0 449.576 3.583 50 0 IHAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000035378134 523855810 /nfs/dbraw/zinc/85/58/10/523855810.db2.gz WXGOJJFEWIUXPW-UHFFFAOYSA-N 0 0 448.342 3.871 50 0 IHAARN COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 ZINC000021687644 523894337 /nfs/dbraw/zinc/89/43/37/523894337.db2.gz SEEHUWLYXGPEBL-UHFFFAOYSA-N 0 0 425.529 3.845 50 0 IHAARN CCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012540541 523897752 /nfs/dbraw/zinc/89/77/52/523897752.db2.gz CEPSNXNYUBUMBI-UHFFFAOYSA-N 0 0 444.553 3.528 50 0 IHAARN COc1ccc(CC(=O)Nc2cc3c(cc2SC(C)C)n(C)c(=O)n3C)cc1OC ZINC000035481113 523908908 /nfs/dbraw/zinc/90/89/08/523908908.db2.gz GQAQFELZEPGAHE-UHFFFAOYSA-N 0 0 429.542 3.576 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC000020714870 523910105 /nfs/dbraw/zinc/91/01/05/523910105.db2.gz KHTZXSJJPXANJV-FPOVZHCZSA-N 0 0 438.915 3.505 50 0 IHAARN COCCNC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036009588 523919410 /nfs/dbraw/zinc/91/94/10/523919410.db2.gz FXRPDXDFIQWUSU-OAHLLOKOSA-N 0 0 443.356 3.561 50 0 IHAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(CC(C)C)c2=O ZINC000033076961 523927227 /nfs/dbraw/zinc/92/72/27/523927227.db2.gz UDPAJHZOEPBJMA-UHFFFAOYSA-N 0 0 425.554 3.721 50 0 IHAARN CN1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035485331 523931955 /nfs/dbraw/zinc/93/19/55/523931955.db2.gz MGRMHEMPFGXNLU-UHFFFAOYSA-N 0 0 435.908 3.719 50 0 IHAARN CCc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563701 523937164 /nfs/dbraw/zinc/93/71/64/523937164.db2.gz VVJBXFAUTGPSSU-LJQANCHMSA-N 0 0 443.551 3.947 50 0 IHAARN CCc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1 ZINC000035561128 523939038 /nfs/dbraw/zinc/93/90/38/523939038.db2.gz GTGLZKGXROHBGC-UHFFFAOYSA-N 0 0 427.570 3.701 50 0 IHAARN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012281541 523951348 /nfs/dbraw/zinc/95/13/48/523951348.db2.gz AGFJPJMGHFYIED-NHCUHLMSSA-N 0 0 426.582 3.849 50 0 IHAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC000012198593 523951820 /nfs/dbraw/zinc/95/18/20/523951820.db2.gz TVWSHTHEYRPFLH-NRFANRHFSA-N 0 0 436.581 3.567 50 0 IHAARN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC000012278400 523956915 /nfs/dbraw/zinc/95/69/15/523956915.db2.gz BKQLOWCZRANMED-HSZRJFAPSA-N 0 0 449.576 3.617 50 0 IHAARN CCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 ZINC000035396721 523976764 /nfs/dbraw/zinc/97/67/64/523976764.db2.gz NQNMJDDQVXVMFR-UHFFFAOYSA-N 0 0 438.549 3.807 50 0 IHAARN COc1ccc(CCNc2ncnc3sc(C(=O)NCc4ccncc4)c(C)c32)cc1 ZINC000012151782 523979374 /nfs/dbraw/zinc/97/93/74/523979374.db2.gz JPOZMEUQPDZIEG-UHFFFAOYSA-N 0 0 433.537 3.988 50 0 IHAARN COc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021861800 524022421 /nfs/dbraw/zinc/02/24/21/524022421.db2.gz PTKSWDRUCNOARB-RUZDIDTESA-N 0 0 432.524 3.518 50 0 IHAARN COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000020477038 524024239 /nfs/dbraw/zinc/02/42/39/524024239.db2.gz KMCRWHVLXSQWBM-YRNVUSSQSA-N 0 0 446.551 3.532 50 0 IHAARN COc1ccc(CNC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012931230 524053284 /nfs/dbraw/zinc/05/32/84/524053284.db2.gz JCRHVUXVOREDTA-UHFFFAOYSA-N 0 0 429.538 3.876 50 0 IHAARN CCc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 ZINC000012550938 524061659 /nfs/dbraw/zinc/06/16/59/524061659.db2.gz JYLZXAFSEYMBLQ-UHFFFAOYSA-N 0 0 438.513 3.602 50 0 IHAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000014427951 524062557 /nfs/dbraw/zinc/06/25/57/524062557.db2.gz LUDIMPQGVJAAMX-UHFFFAOYSA-N 0 0 428.554 3.799 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000035527329 524063670 /nfs/dbraw/zinc/06/36/70/524063670.db2.gz VOMZPNNXSONODZ-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN COc1ccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cc1 ZINC000012609870 524065803 /nfs/dbraw/zinc/06/58/03/524065803.db2.gz OLFQXDKNDRLVES-UHFFFAOYSA-N 0 0 447.944 3.760 50 0 IHAARN COc1ccc(COC(=O)CCCC(=O)OCc2ccc(OC)c(OC)c2)cc1OC ZINC000012615387 524110344 /nfs/dbraw/zinc/11/03/44/524110344.db2.gz DUSCLJPUAKFLQZ-UHFFFAOYSA-N 0 0 432.469 3.678 50 0 IHAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1 ZINC000024022555 524129035 /nfs/dbraw/zinc/12/90/35/524129035.db2.gz DCJKFANLMRYYFB-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 ZINC000012527638 524140421 /nfs/dbraw/zinc/14/04/21/524140421.db2.gz FXXKDJCJCKPUQQ-OAHLLOKOSA-N 0 0 428.562 3.946 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NCc3csc(C)n3)CCC(=O)N2)c2ccccc12 ZINC000014888922 524144426 /nfs/dbraw/zinc/14/44/26/524144426.db2.gz TUGUSBVTRVHFNO-XMMPIXPASA-N 0 0 437.565 3.901 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N[C@@H](C)Cc3cccnc3)CCC(=O)N2)c2ccccc12 ZINC000012247507 524159535 /nfs/dbraw/zinc/15/95/35/524159535.db2.gz OZYKBNVCYTZMGX-PPHZAIPVSA-N 0 0 445.563 3.962 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)s2)cc1 ZINC000035597017 524166994 /nfs/dbraw/zinc/16/69/94/524166994.db2.gz UKVNFXBRKFEEFG-UHFFFAOYSA-N 0 0 447.557 3.845 50 0 IHAARN Cc1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c1 ZINC000035562210 524178476 /nfs/dbraw/zinc/17/84/76/524178476.db2.gz HXVODGYLWOBCAK-UHFFFAOYSA-N 0 0 426.314 3.837 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)C2=O ZINC000012680755 524179534 /nfs/dbraw/zinc/17/95/34/524179534.db2.gz XROQYLQZQPBBHA-YAEBDLLGSA-N 0 0 440.569 3.851 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC2CC2)c1OC ZINC000036054541 524180253 /nfs/dbraw/zinc/18/02/53/524180253.db2.gz QUNXCIBUKXRIMR-UXHICEINSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)c1 ZINC000012604998 524196137 /nfs/dbraw/zinc/19/61/37/524196137.db2.gz WUOKJVXNSLTTLW-FQEVSTJZSA-N 0 0 441.553 3.730 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O ZINC000012415022 524232011 /nfs/dbraw/zinc/23/20/11/524232011.db2.gz KHRDELHVTJHUSA-UHFFFAOYSA-N 0 0 428.901 3.924 50 0 IHAARN COc1ccc(Cn2cc(C(=O)NCC[C@]3(c4ccccc4)CCOC(C)(C)C3)nn2)cc1 ZINC000012572353 524260487 /nfs/dbraw/zinc/26/04/87/524260487.db2.gz JJVIDDRTKMYDBB-SANMLTNESA-N 0 0 448.567 3.982 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)c(C)c1 ZINC000015725829 524284215 /nfs/dbraw/zinc/28/42/15/524284215.db2.gz XTIUIMBXWVEUIA-UHFFFAOYSA-N 0 0 435.977 3.656 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000012885864 524286711 /nfs/dbraw/zinc/28/67/11/524286711.db2.gz DUXJDVLDDWKDSG-UHFFFAOYSA-N 0 0 441.959 3.872 50 0 IHAARN COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)NCc1cccnc1 ZINC000012324227 524339522 /nfs/dbraw/zinc/33/95/22/524339522.db2.gz DCYXSCJRVCZXNK-HMAPJEAMSA-N 0 0 440.503 3.669 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000021880340 524347504 /nfs/dbraw/zinc/34/75/04/524347504.db2.gz VENSSTAJZLZDEW-GOSISDBHSA-N 0 0 426.542 3.751 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)Nc2nccs2)CCS3)c1 ZINC000012140570 524357039 /nfs/dbraw/zinc/35/70/39/524357039.db2.gz YEQCSHQEWJOGMK-UHFFFAOYSA-N 0 0 430.580 3.685 50 0 IHAARN COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000012382021 524359838 /nfs/dbraw/zinc/35/98/38/524359838.db2.gz LVHFAUVQPMRYDO-UHFFFAOYSA-N 0 0 448.585 3.696 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000012568745 524368976 /nfs/dbraw/zinc/36/89/76/524368976.db2.gz ZTLUPUJZILJBDG-HJPURHCSSA-N 0 0 441.553 3.791 50 0 IHAARN COc1ccc(N2C(=O)C(=O)N(CN3CCc4sccc4[C@H]3c3ccccc3)C2=O)cc1 ZINC000012799098 524386346 /nfs/dbraw/zinc/38/63/46/524386346.db2.gz HAMYWHNRPCRIBW-OAQYLSRUSA-N 0 0 447.516 3.657 50 0 IHAARN Cc1cc(C)cc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC000016033908 524418298 /nfs/dbraw/zinc/41/82/98/524418298.db2.gz ZHPDYHIQOASDKE-OAQYLSRUSA-N 0 0 437.540 3.720 50 0 IHAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2F)C1 ZINC000015946897 524434901 /nfs/dbraw/zinc/43/49/01/524434901.db2.gz RDFUJFZQJJXFDF-AWEZNQCLSA-N 0 0 431.533 3.535 50 0 IHAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(CC(N)=O)s4)o3)cc2C1 ZINC000009789052 524443463 /nfs/dbraw/zinc/44/34/63/524443463.db2.gz CUOHYRGYFWRDDR-JTQLQIEISA-N 0 0 433.580 3.987 50 0 IHAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)C3CC3)C3CC3)n2CC(C)C)c1 ZINC000036039649 524455067 /nfs/dbraw/zinc/45/50/67/524455067.db2.gz DIJSVDXOHBSGBF-UHFFFAOYSA-N 0 0 429.586 3.722 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1OC ZINC000020605489 524460023 /nfs/dbraw/zinc/46/00/23/524460023.db2.gz NIKHUHNWQQGDCW-UHFFFAOYSA-N 0 0 439.537 3.742 50 0 IHAARN C[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000012579307 524462361 /nfs/dbraw/zinc/46/23/61/524462361.db2.gz ZLBHHBKBOHXXCD-CQSZACIVSA-N 0 0 448.495 3.505 50 0 IHAARN C[C@H](CNC(=O)c1cccc(Cl)c1)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 ZINC000012162251 524467786 /nfs/dbraw/zinc/46/77/86/524467786.db2.gz RPGVQNRXTMJNGD-QGZVFWFLSA-N 0 0 426.948 3.903 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1Cl ZINC000012386902 524485106 /nfs/dbraw/zinc/48/51/06/524485106.db2.gz HLXTXKOAULXWCM-QGZVFWFLSA-N 0 0 437.968 3.723 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4OC)nn3c2=O)cc1 ZINC000035448314 524485240 /nfs/dbraw/zinc/48/52/40/524485240.db2.gz YFXSMBJNJSHVNG-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl ZINC000012562205 524498472 /nfs/dbraw/zinc/49/84/72/524498472.db2.gz MEINQBHETVKXAJ-OAQYLSRUSA-N 0 0 443.931 3.567 50 0 IHAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NCCCN3CCOCC3)n2)CCCC4)n1 ZINC000020479306 524499220 /nfs/dbraw/zinc/49/92/20/524499220.db2.gz UZHWZZTZOSMPKE-UHFFFAOYSA-N 0 0 426.590 3.507 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 ZINC000021657178 524510076 /nfs/dbraw/zinc/51/00/76/524510076.db2.gz DBFLDIUYWZHCDM-UHFFFAOYSA-N 0 0 433.581 3.520 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000020579623 524513566 /nfs/dbraw/zinc/51/35/66/524513566.db2.gz NGZBGNILOGTMFA-UHFFFAOYSA-N 0 0 439.515 3.869 50 0 IHAARN COc1ccccc1Cc1cc2c(n(C)c1=O)CCN(Cc1ccc3nsnc3c1)C2 ZINC000020778158 524515843 /nfs/dbraw/zinc/51/58/43/524515843.db2.gz UAZMNALWXGBTPF-UHFFFAOYSA-N 0 0 432.549 3.548 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000015390804 524519408 /nfs/dbraw/zinc/51/94/08/524519408.db2.gz CNQDAIAZSJPVHV-KRWDZBQOSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)CC1 ZINC000033297602 524560692 /nfs/dbraw/zinc/56/06/92/524560692.db2.gz JBDRASGQIIFGMQ-UHFFFAOYSA-N 0 0 435.596 3.700 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)c1C ZINC000012764877 524564849 /nfs/dbraw/zinc/56/48/49/524564849.db2.gz CDFQMSIVCPMIAG-AWEZNQCLSA-N 0 0 434.277 3.900 50 0 IHAARN COc1ccccc1NC(=O)CCc1c(C)n(C)c2cc(-c3ccccc3C)nn2c1=O ZINC000035448770 524589146 /nfs/dbraw/zinc/58/91/46/524589146.db2.gz XDKIXSGDRFUNQC-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1ccccc1NC(=O)CCc1c(C)n(C)c2cc(-c3ccccc3OC)nn2c1=O ZINC000035448434 524590242 /nfs/dbraw/zinc/59/02/42/524590242.db2.gz BOWVMOYYMGNXEW-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)/C=C/c3ccc(F)c(Cl)c3)CC2)c1C ZINC000012796774 524593125 /nfs/dbraw/zinc/59/31/25/524593125.db2.gz QXBWZPNFUQLOCF-VQHVLOKHSA-N 0 0 429.923 3.892 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C ZINC000022357525 524595603 /nfs/dbraw/zinc/59/56/03/524595603.db2.gz VHGGPFCATDKJNU-SFHVURJKSA-N 0 0 428.964 3.540 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1OC ZINC000033125561 524607300 /nfs/dbraw/zinc/60/73/00/524607300.db2.gz BVQDKRMBDVYJLV-AWEZNQCLSA-N 0 0 443.887 3.618 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(Cc3noc(-c4ccc(C)cc4)n3)C2)c(OC)c1 ZINC000021724823 524612251 /nfs/dbraw/zinc/61/22/51/524612251.db2.gz UHNKIJNIGUYWGG-SFHVURJKSA-N 0 0 436.512 3.913 50 0 IHAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(OC)c2)cs1 ZINC000016047531 524616646 /nfs/dbraw/zinc/61/66/46/524616646.db2.gz PAOQOQFLHKKZGZ-UHFFFAOYSA-N 0 0 442.497 3.994 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)c(OC)c1 ZINC000021872381 524633709 /nfs/dbraw/zinc/63/37/09/524633709.db2.gz ZNERRDZDCCEWSU-UHFFFAOYSA-N 0 0 435.505 3.990 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NCCC(C)C)CC3)s2)cc1 ZINC000033273052 524656281 /nfs/dbraw/zinc/65/62/81/524656281.db2.gz DLRYMIQFKJSKKC-UHFFFAOYSA-N 0 0 431.562 3.734 50 0 IHAARN COc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523324 524711317 /nfs/dbraw/zinc/71/13/17/524711317.db2.gz YZKSAECWRUMHLY-NRFANRHFSA-N 0 0 436.537 3.994 50 0 IHAARN Cc1cccc(OCC(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)c1C ZINC000001129311 524716914 /nfs/dbraw/zinc/71/69/14/524716914.db2.gz NJXGQNSSUQZUPL-UHFFFAOYSA-N 0 0 433.961 3.685 50 0 IHAARN C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 ZINC000009663912 524732063 /nfs/dbraw/zinc/73/20/63/524732063.db2.gz UPEUVEYJBVAJIC-TZMCWYRMSA-N 0 0 425.601 3.511 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000012607149 524735667 /nfs/dbraw/zinc/73/56/67/524735667.db2.gz ZKZXWBOXQOPDCP-UHFFFAOYSA-N 0 0 449.382 3.521 50 0 IHAARN C[C@H]1CSc2ccc(S(=O)(=O)NCc3cccc(Br)c3)cc2NC1=O ZINC000015731197 524761744 /nfs/dbraw/zinc/76/17/44/524761744.db2.gz OYQRQWXUVGIXJV-NSHDSACASA-N 0 0 441.372 3.608 50 0 IHAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)o2)c1 ZINC000012674994 524768962 /nfs/dbraw/zinc/76/89/62/524768962.db2.gz PPQQBHQKXDJUQV-UHFFFAOYSA-N 0 0 438.509 3.580 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000021159366 524770468 /nfs/dbraw/zinc/77/04/68/524770468.db2.gz BFCGHJIJNDCLSR-JOCHJYFZSA-N 0 0 432.568 3.905 50 0 IHAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C2CCOCC2)C3)c1 ZINC000012217840 524790862 /nfs/dbraw/zinc/79/08/62/524790862.db2.gz WWLRBYSDELGHDP-SFHVURJKSA-N 0 0 431.916 3.871 50 0 IHAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NC[C@H]2CCCO2)c1 ZINC000032974992 524795229 /nfs/dbraw/zinc/79/52/29/524795229.db2.gz UAHGPYCWPADYKK-OAQYLSRUSA-N 0 0 435.524 3.784 50 0 IHAARN COc1ccc(OC)c(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000012350197 524802037 /nfs/dbraw/zinc/80/20/37/524802037.db2.gz KQVVFOHPXSFMOS-HIDBMEOHSA-N 0 0 438.480 3.600 50 0 IHAARN COc1ccc(OC)c(CN2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)c1 ZINC000021038698 524828473 /nfs/dbraw/zinc/82/84/73/524828473.db2.gz CGDRYHZBKZRRHQ-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN COc1ccc(OC)c(NC(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000012523479 524851766 /nfs/dbraw/zinc/85/17/66/524851766.db2.gz YRCMQKGXMZHZHD-ZDUSSCGKSA-N 0 0 440.529 3.648 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1 ZINC000021174419 524855780 /nfs/dbraw/zinc/85/57/80/524855780.db2.gz PNOVCSCNESUIJX-UHFFFAOYSA-N 0 0 433.508 3.753 50 0 IHAARN C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000022525223 524893246 /nfs/dbraw/zinc/89/32/46/524893246.db2.gz JUIMXOSASGBCRA-KRWDZBQOSA-N 0 0 448.523 3.572 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045590 524898311 /nfs/dbraw/zinc/89/83/11/524898311.db2.gz GSSBUJIKLYNSLF-LEWJYISDSA-N 0 0 442.531 3.861 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000020940536 524898975 /nfs/dbraw/zinc/89/89/75/524898975.db2.gz ZGXSFUQCBIAQEH-LBPRGKRZSA-N 0 0 438.958 3.741 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000012361749 524900788 /nfs/dbraw/zinc/90/07/88/524900788.db2.gz GUYSEPGUTUZBNP-HSZRJFAPSA-N 0 0 442.537 3.616 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2(=O)=O)cc1F ZINC000021657797 524924353 /nfs/dbraw/zinc/92/43/53/524924353.db2.gz LVNCEKVERDZXIB-UHFFFAOYSA-N 0 0 445.516 3.718 50 0 IHAARN COc1ccc(OCCN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000012884618 524955340 /nfs/dbraw/zinc/95/53/40/524955340.db2.gz NDTRVNSECRWUGA-UHFFFAOYSA-N 0 0 435.524 3.506 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c(C)c1 ZINC000024022551 525004343 /nfs/dbraw/zinc/00/43/43/525004343.db2.gz YCZJONWRBSKDGD-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 ZINC000017025781 525004916 /nfs/dbraw/zinc/00/49/16/525004916.db2.gz HMYPQNYJWFZISI-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 ZINC000022485346 525005304 /nfs/dbraw/zinc/00/53/04/525005304.db2.gz VIZLLFMEULDKEF-LJQANCHMSA-N 0 0 430.508 3.714 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2cccs2)cc1 ZINC000033141779 525008063 /nfs/dbraw/zinc/00/80/63/525008063.db2.gz PZDMFRNDONDWDG-UHFFFAOYSA-N 0 0 436.580 3.616 50 0 IHAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)N[C@H](C)CCc2ccccc2)n1 ZINC000021911245 525012547 /nfs/dbraw/zinc/01/25/47/525012547.db2.gz CEHQMLMYIJSWSS-QGZVFWFLSA-N 0 0 447.564 3.623 50 0 IHAARN C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000012901724 525013788 /nfs/dbraw/zinc/01/37/88/525013788.db2.gz AEEFBXJUQHHVSX-ZDUSSCGKSA-N 0 0 427.979 3.615 50 0 IHAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)CNC(=O)c3ccco3)cc2)o1 ZINC000033308333 525015604 /nfs/dbraw/zinc/01/56/04/525015604.db2.gz JRTPSNAYZGESRQ-UHFFFAOYSA-N 0 0 432.436 3.586 50 0 IHAARN Cc1ccccc1-c1noc(Cn2c3ccsc3c(=O)n(CCc3ccccc3)c2=O)n1 ZINC000035527754 525020442 /nfs/dbraw/zinc/02/04/42/525020442.db2.gz GUFRDZYKRBGQEJ-UHFFFAOYSA-N 0 0 444.516 3.874 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@@H](C)C(=O)NC1CCCCC1 ZINC000012766043 525026952 /nfs/dbraw/zinc/02/69/52/525026952.db2.gz UJOCZYNKRCGTHJ-KRWDZBQOSA-N 0 0 437.606 3.509 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)c(C)c1 ZINC000021721825 525041658 /nfs/dbraw/zinc/04/16/58/525041658.db2.gz UGGXOTDSBQMVNS-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000035562209 525047963 /nfs/dbraw/zinc/04/79/63/525047963.db2.gz VNWDIZFOONBIJS-UHFFFAOYSA-N 0 0 426.314 3.837 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000015997381 525048817 /nfs/dbraw/zinc/04/88/17/525048817.db2.gz CFGBGAAYZVHDEH-BETUJISGSA-N 0 0 426.897 3.529 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2NC1=O ZINC000012917798 525061584 /nfs/dbraw/zinc/06/15/84/525061584.db2.gz CAOKCGWRLBUWTA-SECBINFHSA-N 0 0 425.666 3.839 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)c1ccoc1 ZINC000034706603 525073248 /nfs/dbraw/zinc/07/32/48/525073248.db2.gz PXKKDYBVOOSIEG-OAHLLOKOSA-N 0 0 444.520 3.950 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc1F ZINC000021810276 525077992 /nfs/dbraw/zinc/07/79/92/525077992.db2.gz HTLBKLDXCSSRLL-UHFFFAOYSA-N 0 0 438.528 3.919 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1F ZINC000035531798 525086751 /nfs/dbraw/zinc/08/67/51/525086751.db2.gz AHICTIOBXLXWIT-UHFFFAOYSA-N 0 0 445.545 3.940 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)[C@H]2CCCO2)cc1 ZINC000012391514 525093037 /nfs/dbraw/zinc/09/30/37/525093037.db2.gz QAJDHMDDTILRGP-LJQANCHMSA-N 0 0 434.558 3.720 50 0 IHAARN C[C@@H](NC(=O)COc1c(I)cc(Cl)c2cccnc21)C1CC1 ZINC000012900820 525117053 /nfs/dbraw/zinc/11/70/53/525117053.db2.gz PWOGDRFLJLHYAB-SECBINFHSA-N 0 0 430.673 3.786 50 0 IHAARN C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009788970 525119834 /nfs/dbraw/zinc/11/98/34/525119834.db2.gz UDCOWOSPXOFHQX-GOSISDBHSA-N 0 0 446.503 3.644 50 0 IHAARN C[C@H]1c2ccsc2CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000012755012 525129826 /nfs/dbraw/zinc/12/98/26/525129826.db2.gz YPEDWMWNXVGEGO-LBPRGKRZSA-N 0 0 432.343 3.757 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC[C@@H]1CCCO1 ZINC000021859718 525135084 /nfs/dbraw/zinc/13/50/84/525135084.db2.gz CZJBUFYZSRRPKD-LVXARBLLSA-N 0 0 431.536 3.660 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC000016020043 525191972 /nfs/dbraw/zinc/19/19/72/525191972.db2.gz YTMHDBHVHWZHEI-DYESRHJHSA-N 0 0 437.540 3.800 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012815651 525201928 /nfs/dbraw/zinc/20/19/28/525201928.db2.gz BOKBCNPWKGMGPN-HUUCEWRRSA-N 0 0 432.508 3.611 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc(Cl)cc1 ZINC000012926983 525217180 /nfs/dbraw/zinc/21/71/80/525217180.db2.gz OVMNDEBYEJMZJU-ZDUSSCGKSA-N 0 0 429.933 3.690 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)no1 ZINC000012136298 525228958 /nfs/dbraw/zinc/22/89/58/525228958.db2.gz KRMALLFWOFGABE-KRWDZBQOSA-N 0 0 440.573 3.728 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000012537709 525239283 /nfs/dbraw/zinc/23/92/83/525239283.db2.gz AMEJXDXQSOKLNH-VWLOTQADSA-N 0 0 429.520 3.858 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000012998647 525242555 /nfs/dbraw/zinc/24/25/55/525242555.db2.gz XMFQXNHAWREBCS-QFIPXVFZSA-N 0 0 445.585 3.515 50 0 IHAARN Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3c(cccc3F)s2)n1 ZINC000021685437 525253532 /nfs/dbraw/zinc/25/35/32/525253532.db2.gz UGIXZDVXMJZZOK-UHFFFAOYSA-N 0 0 430.486 3.585 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061984 525257308 /nfs/dbraw/zinc/25/73/08/525257308.db2.gz BSVTXRGSUPSYLK-FCHUYYIVSA-N 0 0 442.531 3.861 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062238 525257521 /nfs/dbraw/zinc/25/75/21/525257521.db2.gz RIMBRDDMPHFJAE-SFTDATJTSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000012361691 525281358 /nfs/dbraw/zinc/28/13/58/525281358.db2.gz NNSQKIBBXDCUQF-OAQYLSRUSA-N 0 0 432.929 3.953 50 0 IHAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O ZINC000012756168 525314565 /nfs/dbraw/zinc/31/45/65/525314565.db2.gz QSULWKVZZNHWJU-PUAOIOHZSA-N 0 0 449.457 3.901 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)CC2)cc1 ZINC000009154519 534849194 /nfs/dbraw/zinc/84/91/94/534849194.db2.gz NNNVQUUIIIOAAY-DEOSSOPVSA-N 0 0 435.568 3.691 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2csc(-c3ccsc3)n2)N2CCOCC2)cc1 ZINC000023935329 525358512 /nfs/dbraw/zinc/35/85/12/525358512.db2.gz DDGHIAXNNVWOQU-IBGZPJMESA-N 0 0 429.567 3.684 50 0 IHAARN COc1ccc([C@H]2CCCCCN2Cc2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 ZINC000012628166 525408350 /nfs/dbraw/zinc/40/83/50/525408350.db2.gz MVUOFWGIGMAALJ-JOCHJYFZSA-N 0 0 442.585 3.939 50 0 IHAARN Cc1cc(S(=O)(=O)NCc2cccc(NC(=O)C(C)C)c2)ccc1Br ZINC000024451645 525411256 /nfs/dbraw/zinc/41/12/56/525411256.db2.gz FYTXNBFDSOFBBQ-UHFFFAOYSA-N 0 0 425.348 3.831 50 0 IHAARN COc1ccc([C@H]2CSCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000020744663 525422292 /nfs/dbraw/zinc/42/22/92/525422292.db2.gz BJPRUUFYBYLISZ-HXUWFJFHSA-N 0 0 425.506 3.806 50 0 biogenic IHAARN Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2c1C ZINC000021605000 525424624 /nfs/dbraw/zinc/42/46/24/525424624.db2.gz SXZFDIABCPZFJU-LBPRGKRZSA-N 0 0 425.510 3.618 50 0 IHAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)Nc1ccccc1 ZINC000021804054 525449622 /nfs/dbraw/zinc/44/96/22/525449622.db2.gz JMNMACQOPXQFGE-UHFFFAOYSA-N 0 0 436.903 3.563 50 0 IHAARN Cc1ccc(OCc2nnc(SCc3cc(Cl)c4c(c3)OCCO4)n2N)c(C)c1 ZINC000012569342 525453238 /nfs/dbraw/zinc/45/32/38/525453238.db2.gz BATDQOLVHJKIKY-UHFFFAOYSA-N 0 0 432.933 3.905 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)CC3 ZINC000012296540 525485751 /nfs/dbraw/zinc/48/57/51/525485751.db2.gz PVUJUHBRSUWFPO-UHFFFAOYSA-N 0 0 449.507 3.893 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccccc3I)CC2)cc1 ZINC000012618154 525486559 /nfs/dbraw/zinc/48/65/59/525486559.db2.gz FKMVWUBFDIDCMX-UHFFFAOYSA-N 0 0 441.290 3.545 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000012808678 525514120 /nfs/dbraw/zinc/51/41/20/525514120.db2.gz KIZAVLMJYURMFY-HDICACEKSA-N 0 0 442.581 3.955 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCc1cccnc1)C2 ZINC000035871801 525551456 /nfs/dbraw/zinc/55/14/56/525551456.db2.gz CRCAHFXGYDSWPU-AHWVRZQESA-N 0 0 442.563 3.583 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(F)cc1F ZINC000035535041 525600799 /nfs/dbraw/zinc/60/07/99/525600799.db2.gz IIEFXPWYJQCOGX-UHFFFAOYSA-N 0 0 449.413 3.553 50 0 IHAARN Cc1ccn(CCC(=O)N(Cc2cccc(OC3CCCC3)c2)[C@H]2CCCCNC2=O)n1 ZINC000012217165 525601358 /nfs/dbraw/zinc/60/13/58/525601358.db2.gz YVTMHCQKKNLZII-QHCPKHFHSA-N 0 0 438.572 3.601 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1 ZINC000012441356 525654989 /nfs/dbraw/zinc/65/49/89/525654989.db2.gz MPMBBVYMPDKYAM-UHFFFAOYSA-N 0 0 426.473 3.962 50 0 IHAARN Cc1ccc(Sc2ccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc2)cc1C ZINC000022241465 525672146 /nfs/dbraw/zinc/67/21/46/525672146.db2.gz UDTZBAAEIOOCSZ-UHFFFAOYSA-N 0 0 433.537 3.927 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3C)cc(=O)n2o1 ZINC000041089613 525672118 /nfs/dbraw/zinc/67/21/18/525672118.db2.gz JRUZBXNOMFMDKT-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(-n2cnnc2)n1 ZINC000021721092 525688234 /nfs/dbraw/zinc/68/82/34/525688234.db2.gz KQCUFLVOZYQOJT-UHFFFAOYSA-N 0 0 430.859 3.610 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCCC2=CCCCC2)c(C)n3C)c1 ZINC000035448566 525710792 /nfs/dbraw/zinc/71/07/92/525710792.db2.gz KQUOWDMDYYWNRR-UHFFFAOYSA-N 0 0 448.567 3.956 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000012768303 525760730 /nfs/dbraw/zinc/76/07/30/525760730.db2.gz UUQJMAUWQPCQHA-GOSISDBHSA-N 0 0 429.369 3.654 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000035349082 525765390 /nfs/dbraw/zinc/76/53/90/525765390.db2.gz YLDNIRCEEAHPTH-UHFFFAOYSA-N 0 0 425.598 3.884 50 0 IHAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nc2)cc1 ZINC000035513161 525772404 /nfs/dbraw/zinc/77/24/04/525772404.db2.gz ODRFNMSFDHAOSU-HXUWFJFHSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nc2)cc1 ZINC000035513158 525773546 /nfs/dbraw/zinc/77/35/46/525773546.db2.gz ODRFNMSFDHAOSU-FQEVSTJZSA-N 0 0 430.508 3.714 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000021860473 525792679 /nfs/dbraw/zinc/79/26/79/525792679.db2.gz JEVPJJKSZWRWHT-SANMLTNESA-N 0 0 430.552 3.942 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)co2)c(C)c1 ZINC000012860658 525811001 /nfs/dbraw/zinc/81/10/01/525811001.db2.gz OEVDMDKTLCEAGK-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000012785886 525828658 /nfs/dbraw/zinc/82/86/58/525828658.db2.gz SJNOFRGPJPHHLT-DHLKQENFSA-N 0 0 447.560 3.897 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035963317 525858558 /nfs/dbraw/zinc/85/85/58/525858558.db2.gz NCRZGTCMOPWOPH-OAQYLSRUSA-N 0 0 426.492 3.562 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(F)c(F)cc4Cl)CC3)n2)cc1 ZINC000012760548 525878126 /nfs/dbraw/zinc/87/81/26/525878126.db2.gz ZTSPYNOIWDONMU-UHFFFAOYSA-N 0 0 432.858 3.935 50 0 IHAARN C[C@H](OC(=O)c1c(F)cccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000012785068 525888211 /nfs/dbraw/zinc/88/82/11/525888211.db2.gz UTMLUNOUAXEYAV-VIFPVBQESA-N 0 0 428.313 3.514 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F ZINC000012756781 525890898 /nfs/dbraw/zinc/89/08/98/525890898.db2.gz WNPUAONVNCSGKS-PQPQCLORSA-N 0 0 442.531 3.903 50 0 IHAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000012549312 525902838 /nfs/dbraw/zinc/90/28/38/525902838.db2.gz VTWXQZGUPXOLNC-SFHVURJKSA-N 0 0 436.693 3.508 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CS(=O)(=O)C3)cc1 ZINC000020662345 525930012 /nfs/dbraw/zinc/93/00/12/525930012.db2.gz QLXBCSMGJGOMRG-UHFFFAOYSA-N 0 0 447.516 3.780 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000020868162 525931561 /nfs/dbraw/zinc/93/15/61/525931561.db2.gz RYIBVLALZRYABV-FQEVSTJZSA-N 0 0 427.508 3.861 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)N[C@H](C)c1ccccc1)nc2C ZINC000015943041 525935969 /nfs/dbraw/zinc/93/59/69/525935969.db2.gz CIDOGOSKFSOIGL-QGZVFWFLSA-N 0 0 429.524 3.857 50 0 IHAARN Cc1ccc(-n2nnnc2SCc2csc(CC(=O)NCc3ccccc3)n2)cc1 ZINC000012882853 525938385 /nfs/dbraw/zinc/93/83/85/525938385.db2.gz LQYOCIKNILUXSZ-UHFFFAOYSA-N 0 0 436.566 3.578 50 0 IHAARN Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000012768307 525954466 /nfs/dbraw/zinc/95/44/66/525954466.db2.gz UUQJMAUWQPCQHA-SFHVURJKSA-N 0 0 429.369 3.654 50 0 IHAARN C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009322252 525960991 /nfs/dbraw/zinc/96/09/91/525960991.db2.gz CCHLZYKPQXROME-NRFANRHFSA-N 0 0 443.547 3.733 50 0 IHAARN Cc1ccc([C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 ZINC000022328289 525965300 /nfs/dbraw/zinc/96/53/00/525965300.db2.gz FPHLXIUSFHWRIX-YWZLYKJASA-N 0 0 432.542 3.768 50 0 IHAARN CSc1ccc(CCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)cc1 ZINC000035372413 525985776 /nfs/dbraw/zinc/98/57/76/525985776.db2.gz UMSKXFDTINSBEN-UHFFFAOYSA-N 0 0 434.565 3.749 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000022188541 526000420 /nfs/dbraw/zinc/00/04/20/526000420.db2.gz XVEUTPDBARXEFW-AWEZNQCLSA-N 0 0 444.507 3.860 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000012796245 526002666 /nfs/dbraw/zinc/00/26/66/526002666.db2.gz URHZRHGXXYUEQJ-HUUCEWRRSA-N 0 0 434.521 3.665 50 0 IHAARN C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012604558 526014209 /nfs/dbraw/zinc/01/42/09/526014209.db2.gz DRENCQHKWYDNFI-SECBINFHSA-N 0 0 445.353 3.771 50 0 IHAARN CSc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012555117 526027767 /nfs/dbraw/zinc/02/77/67/526027767.db2.gz RMDHJXODPHAYKV-NRFANRHFSA-N 0 0 425.554 3.627 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC4)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911738 526037462 /nfs/dbraw/zinc/03/74/62/526037462.db2.gz MSIUTMCBYCGSGE-UHFFFAOYSA-N 0 0 447.564 3.663 50 0 IHAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000022435733 526054816 /nfs/dbraw/zinc/05/48/16/526054816.db2.gz MXAJUZZWMOUYDU-KRWDZBQOSA-N 0 0 433.549 3.903 50 0 IHAARN C[C@H](C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937593 526083171 /nfs/dbraw/zinc/08/31/71/526083171.db2.gz VPGNIBNLKXJDSJ-QGZVFWFLSA-N 0 0 443.544 3.832 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5ccc(C)cc5C)CC4)c3=O)c2c1 ZINC000035423989 526109460 /nfs/dbraw/zinc/10/94/60/526109460.db2.gz ODMKORVZKAJKIW-UHFFFAOYSA-N 0 0 443.551 3.542 50 0 IHAARN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022932472 526119326 /nfs/dbraw/zinc/11/93/26/526119326.db2.gz GTMZZRPPEPMQGW-NQIIRXRSSA-N 0 0 434.609 3.996 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000012123525 526119526 /nfs/dbraw/zinc/11/95/26/526119526.db2.gz LDMVKELGTWUYMK-UHFFFAOYSA-N 0 0 425.492 3.912 50 0 IHAARN Cc1ccc2c(C)nc(N3CCC(C(=O)NCC[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000012281184 526120110 /nfs/dbraw/zinc/12/01/10/526120110.db2.gz DSWZTPWQYMYCEN-HXUWFJFHSA-N 0 0 446.551 3.809 50 0 IHAARN Cc1cc(=O)n2nc(C3CCCCC3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021803110 526143192 /nfs/dbraw/zinc/14/31/92/526143192.db2.gz NORIFLMWPJWMFP-UHFFFAOYSA-N 0 0 433.434 3.905 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cccc(-c4nccnc4N4CCCC4)c3)CC2)c1 ZINC000033312983 526151756 /nfs/dbraw/zinc/15/17/56/526151756.db2.gz GANNUXMJRMWAPJ-UHFFFAOYSA-N 0 0 443.551 3.715 50 0 IHAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012633508 526172868 /nfs/dbraw/zinc/17/28/68/526172868.db2.gz ZRANFPOTDCVNAF-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012784105 526175488 /nfs/dbraw/zinc/17/54/88/526175488.db2.gz SAJVFUMOEKYMCP-GFCCVEGCSA-N 0 0 431.338 3.735 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000022298658 526181702 /nfs/dbraw/zinc/18/17/02/526181702.db2.gz GHFGEPHVCAIRPP-RHSMWYFYSA-N 0 0 438.528 3.767 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)c1 ZINC000035535068 526184578 /nfs/dbraw/zinc/18/45/78/526184578.db2.gz FJAGISARDBIVRK-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1CC(F)(F)F ZINC000012695833 526203052 /nfs/dbraw/zinc/20/30/52/526203052.db2.gz HCMJULLORDMQQY-NRFANRHFSA-N 0 0 435.446 3.793 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1-c1nc[nH]n1 ZINC000012593348 526215372 /nfs/dbraw/zinc/21/53/72/526215372.db2.gz NECAUUHGSRCHCI-UHFFFAOYSA-N 0 0 439.570 3.766 50 0 IHAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)N1CCC[C@@H](C)C1 ZINC000035399999 526216837 /nfs/dbraw/zinc/21/68/37/526216837.db2.gz WRWUWCQNIVPHFV-LJQANCHMSA-N 0 0 428.536 3.966 50 0 IHAARN CSc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021910933 526223550 /nfs/dbraw/zinc/22/35/50/526223550.db2.gz ZPEBRIKNGZSNNJ-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCCc3ccccn3)no2)c1 ZINC000036014817 526255541 /nfs/dbraw/zinc/25/55/41/526255541.db2.gz WPUBMCHANZQNRU-JOCHJYFZSA-N 0 0 432.524 3.707 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O ZINC000022283670 526263599 /nfs/dbraw/zinc/26/35/99/526263599.db2.gz MKBRMXLSXVLYMV-OWJWWREXSA-N 0 0 432.480 3.934 50 0 IHAARN O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)NCc1ccc2c(c1)OCO2 ZINC000021530210 526376190 /nfs/dbraw/zinc/37/61/90/526376190.db2.gz OZTJPQAAAULKOO-UHFFFAOYSA-N 0 0 431.492 3.609 50 0 IHAARN c1c(-c2ccccc2)nc2sc(N3CCN(Cc4ccc5c(c4)OCCO5)CC3)nn12 ZINC000012519973 526395728 /nfs/dbraw/zinc/39/57/28/526395728.db2.gz UJYWCENVFWZDPA-UHFFFAOYSA-N 0 0 433.537 3.551 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021049508 526403645 /nfs/dbraw/zinc/40/36/45/526403645.db2.gz BKHZDNPCBKGFIP-UHFFFAOYSA-N 0 0 440.906 3.694 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012923498 526413242 /nfs/dbraw/zinc/41/32/42/526413242.db2.gz FRAJGPCEIQTQSO-QHCPKHFHSA-N 0 0 429.472 3.885 50 0 IHAARN O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012892114 526431852 /nfs/dbraw/zinc/43/18/52/526431852.db2.gz OSFSQSJFAQJRFF-UHFFFAOYSA-N 0 0 432.885 3.892 50 0 IHAARN O=C(CCCNC(=O)c1cc2ccccc2o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012321439 526440107 /nfs/dbraw/zinc/44/01/07/526440107.db2.gz GHMIXABYOQCLER-UHFFFAOYSA-N 0 0 425.916 3.945 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034916210 526455258 /nfs/dbraw/zinc/45/52/58/526455258.db2.gz PRLVQCFVVKOFFY-OAHLLOKOSA-N 0 0 435.421 3.546 50 0 IHAARN O=C(CCCn1cnc2ccccc2c1=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160296 526471957 /nfs/dbraw/zinc/47/19/57/526471957.db2.gz AIRCRLRXNCTRSM-XMMPIXPASA-N 0 0 437.503 3.959 50 0 IHAARN O=C([C@@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000022343660 526474729 /nfs/dbraw/zinc/47/47/29/526474729.db2.gz SBOXEINXNBLGCU-HNNXBMFYSA-N 0 0 440.594 3.736 50 0 IHAARN O=C(NC[C@@H]1CCC2(CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)O1)C1CCCCC1 ZINC000012184637 526502572 /nfs/dbraw/zinc/50/25/72/526502572.db2.gz NQRQALAYCFQWSX-UGKGYDQZSA-N 0 0 438.568 3.593 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000022687148 526522714 /nfs/dbraw/zinc/52/27/14/526522714.db2.gz SPJAFOUSYIORES-HSZRJFAPSA-N 0 0 435.524 3.501 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000022687152 526523291 /nfs/dbraw/zinc/52/32/91/526523291.db2.gz SPJAFOUSYIORES-QHCPKHFHSA-N 0 0 435.524 3.501 50 0 IHAARN Cc1noc(C)c1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000009661934 526529946 /nfs/dbraw/zinc/52/99/46/526529946.db2.gz UIPTZWHULIVMPD-UHFFFAOYSA-N 0 0 434.543 3.808 50 0 IHAARN O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)cc(F)c2)C1 ZINC000012217155 526531411 /nfs/dbraw/zinc/53/14/11/526531411.db2.gz IBYGERICHNNKJD-XXBNENTESA-N 0 0 442.506 3.816 50 0 IHAARN O=C([C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000012306947 526531934 /nfs/dbraw/zinc/53/19/34/526531934.db2.gz MGNOJWOYOBZEBD-IBGZPJMESA-N 0 0 448.489 3.579 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000011996558 526539042 /nfs/dbraw/zinc/53/90/42/526539042.db2.gz RYUCKNKFMZQXEV-UONOGXRCSA-N 0 0 438.899 3.542 50 0 IHAARN Cc1nnc2nc(SCC(=O)N3CCC(C)CC3)n(-c3cccc(Cl)c3)c(N)c1-2 ZINC000020759526 526539727 /nfs/dbraw/zinc/53/97/27/526539727.db2.gz ZJIBZUXBDIWZLA-UHFFFAOYSA-N 0 0 430.965 3.540 50 0 IHAARN O=C(CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCN(c2ccccn2)CC1 ZINC000012465319 526554853 /nfs/dbraw/zinc/55/48/53/526554853.db2.gz ITZZIZKUHLQDQA-SFHVURJKSA-N 0 0 447.505 3.841 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000012923392 526581690 /nfs/dbraw/zinc/58/16/90/526581690.db2.gz HRLLLSUXWWLRQR-QGZVFWFLSA-N 0 0 434.359 3.795 50 0 IHAARN O=C(NC[C@H]1CCC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)O1)c1ccccc1F ZINC000012200368 526587952 /nfs/dbraw/zinc/58/79/52/526587952.db2.gz QHFRNXOKEXLZFV-HXUWFJFHSA-N 0 0 436.527 3.828 50 0 IHAARN O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000011932976 526604349 /nfs/dbraw/zinc/60/43/49/526604349.db2.gz LUMYUAGGCWGTPW-OAHLLOKOSA-N 0 0 427.407 3.662 50 0 IHAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000042382346 526608894 /nfs/dbraw/zinc/60/88/94/526608894.db2.gz NGZCDNBKHAPCHL-CVEARBPZSA-N 0 0 447.318 3.810 50 0 IHAARN Cc1nc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)nn1-c1ccc(Cl)cc1 ZINC000012930008 526635803 /nfs/dbraw/zinc/63/58/03/526635803.db2.gz WOPBQOYMQVGUHJ-UHFFFAOYSA-N 0 0 425.920 3.865 50 0 IHAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012796980 526651993 /nfs/dbraw/zinc/65/19/93/526651993.db2.gz OCNUZCALPZHAND-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1cccc(F)c1 ZINC000015722626 526672757 /nfs/dbraw/zinc/67/27/57/526672757.db2.gz CRONEXKIINVCIN-UHFFFAOYSA-N 0 0 443.544 3.662 50 0 IHAARN O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)NCc1ccc(F)cc1Cl ZINC000033277682 526682492 /nfs/dbraw/zinc/68/24/92/526682492.db2.gz ZXJQUVNCWFYLSI-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035483003 526699544 /nfs/dbraw/zinc/69/95/44/526699544.db2.gz VWKLGZJTAOAZFO-SFHVURJKSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(CN(Cc1ccco1)S(=O)(=O)/C=C\c1ccccc1)NCCc1ccc(F)cc1 ZINC000033463117 526702748 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IHAARN CCOC(=O)C1CCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)CC1 ZINC000000815273 555561431 /nfs/dbraw/zinc/56/14/31/555561431.db2.gz HNSBPTUKGMOOQY-UHFFFAOYSA-N 0 0 428.439 3.749 50 0 IHAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000000844443 555568745 /nfs/dbraw/zinc/56/87/45/555568745.db2.gz VJGGDUWPISGNEI-SFHVURJKSA-N 0 0 445.269 3.549 50 0 IHAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000000844442 555568764 /nfs/dbraw/zinc/56/87/64/555568764.db2.gz VJGGDUWPISGNEI-GOSISDBHSA-N 0 0 445.269 3.549 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000000909683 555582250 /nfs/dbraw/zinc/58/22/50/555582250.db2.gz OBZRZDWDXVSSIM-FQEVSTJZSA-N 0 0 441.553 3.761 50 0 IHAARN CCOC(=O)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000000915242 555583191 /nfs/dbraw/zinc/58/31/91/555583191.db2.gz GLAVDTPDAMGENY-AREMUKBSSA-N 0 0 429.472 3.724 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1C ZINC000009671650 555586700 /nfs/dbraw/zinc/58/67/00/555586700.db2.gz JHNJVYNUIDWAPM-UHFFFAOYSA-N 0 0 429.476 3.512 50 0 IHAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000000946306 555587923 /nfs/dbraw/zinc/58/79/23/555587923.db2.gz JOILQASENIUVHD-UHFFFAOYSA-N 0 0 437.677 3.902 50 0 IHAARN O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(I)cc1 ZINC000000947622 555588250 /nfs/dbraw/zinc/58/82/50/555588250.db2.gz OULWSPOQBCSJTL-UHFFFAOYSA-N 0 0 442.615 3.866 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 ZINC000000983963 555594133 /nfs/dbraw/zinc/59/41/33/555594133.db2.gz TXEXWMGPKATPIT-UHFFFAOYSA-N 0 0 428.448 3.982 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1C ZINC000000993222 555597476 /nfs/dbraw/zinc/59/74/76/555597476.db2.gz IFZIJJMOUXBNKW-MRXNPFEDSA-N 0 0 430.298 3.845 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001014269 555602488 /nfs/dbraw/zinc/60/24/88/555602488.db2.gz YVLPDMWHASAEHV-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ncnc4cc(C(C)(C)C)sc43)CC2)cc1OC ZINC000001027829 555604716 /nfs/dbraw/zinc/60/47/16/555604716.db2.gz LZFDMKMLBPFFGS-UHFFFAOYSA-N 0 0 440.569 3.968 50 0 IHAARN COc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)sc(=O)c2cc1OC ZINC000001029616 555605418 /nfs/dbraw/zinc/60/54/18/555605418.db2.gz OJPXVPRUIXMCSS-UHFFFAOYSA-N 0 0 426.372 3.825 50 0 IHAARN Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000001033856 555607009 /nfs/dbraw/zinc/60/70/09/555607009.db2.gz SXPWFQLUZNCWFR-SFHVURJKSA-N 0 0 434.323 3.580 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1OC ZINC000001049168 555612437 /nfs/dbraw/zinc/61/24/37/555612437.db2.gz ZPCUAYSTCJOCGP-UHFFFAOYSA-N 0 0 440.521 3.777 50 0 IHAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001051575 555613288 /nfs/dbraw/zinc/61/32/88/555613288.db2.gz YDOALASKYZYXEP-CQSZACIVSA-N 0 0 425.348 3.859 50 0 IHAARN COc1cccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1 ZINC000001054981 555614315 /nfs/dbraw/zinc/61/43/15/555614315.db2.gz UJKKHZBRYHJNAE-UHFFFAOYSA-N 0 0 431.539 3.583 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2ncc(Br)cn2n1 ZINC000001067953 555619357 /nfs/dbraw/zinc/61/93/57/555619357.db2.gz LHXKBHZKAMWGQH-UHFFFAOYSA-N 0 0 443.280 3.745 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NN3CCOCC3)c3cc(Br)ccc3n2)cc1 ZINC000001068328 555619622 /nfs/dbraw/zinc/61/96/22/555619622.db2.gz FGROAFLHAMBMOA-UHFFFAOYSA-N 0 0 426.314 3.950 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000001074504 555623282 /nfs/dbraw/zinc/62/32/82/555623282.db2.gz FILNFAKUKAIBNX-LBPRGKRZSA-N 0 0 447.923 3.829 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000001110104 555631101 /nfs/dbraw/zinc/63/11/01/555631101.db2.gz JBWXHJDPOBVCDU-UHFFFAOYSA-N 0 0 425.348 3.707 50 0 IHAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc5c(c4)OCCO5)c2=O)C(=O)CCC3)cc1 ZINC000001110969 555631377 /nfs/dbraw/zinc/63/13/77/555631377.db2.gz VSUHYIUMCMEDKK-UHFFFAOYSA-N 0 0 430.460 3.688 50 0 IHAARN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001114807 555633745 /nfs/dbraw/zinc/63/37/45/555633745.db2.gz LSESDHYDBANFLI-UHFFFAOYSA-N 0 0 438.549 3.708 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001122182 555638501 /nfs/dbraw/zinc/63/85/01/555638501.db2.gz XGYCPYXPRCNZKJ-UHFFFAOYSA-N 0 0 432.523 3.687 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1)c1ccccc1 ZINC000001139459 555649070 /nfs/dbraw/zinc/64/90/70/555649070.db2.gz GGFMLJSWVJEBFY-SFHVURJKSA-N 0 0 430.570 3.944 50 0 IHAARN CCOc1ccccc1C1C(C(=O)OC)=CN(Cc2ccc(OC)cc2)C=C1C(=O)OC ZINC000001142030 555650706 /nfs/dbraw/zinc/65/07/06/555650706.db2.gz VRTNKMVRIGJSJU-UHFFFAOYSA-N 0 0 437.492 3.807 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccc(C)cc2)cc1 ZINC000001144178 555652125 /nfs/dbraw/zinc/65/21/25/555652125.db2.gz XMTPBHCPHRJSNS-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)c1 ZINC000001146080 555653509 /nfs/dbraw/zinc/65/35/09/555653509.db2.gz QBDXUBKJPDHSOP-KRWDZBQOSA-N 0 0 428.554 3.862 50 0 IHAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000001148021 555654729 /nfs/dbraw/zinc/65/47/29/555654729.db2.gz QNMVTOOINSMZIZ-HNNXBMFYSA-N 0 0 439.541 3.528 50 0 IHAARN COc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001149552 555655529 /nfs/dbraw/zinc/65/55/29/555655529.db2.gz BBRHZWRIXOCDDG-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN O=C(c1ccccc1O)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000001151675 555656748 /nfs/dbraw/zinc/65/67/48/555656748.db2.gz OZSPHFKKXSTPKD-INIZCTEOSA-N 0 0 429.192 3.656 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000001156222 555658666 /nfs/dbraw/zinc/65/86/66/555658666.db2.gz BRECOACJGNJYPH-UHFFFAOYSA-N 0 0 447.329 3.957 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2cc(C)c(Br)c(C)c2)n1 ZINC000001160260 555661454 /nfs/dbraw/zinc/66/14/54/555661454.db2.gz NZYZEXXFBHMCON-UHFFFAOYSA-N 0 0 427.320 3.646 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001164146 555663263 /nfs/dbraw/zinc/66/32/63/555663263.db2.gz GRSRNSKEWSHYMU-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN Cc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001163747 555663320 /nfs/dbraw/zinc/66/33/20/555663320.db2.gz HQNSEDTZGYPQJS-UHFFFAOYSA-N 0 0 440.540 3.950 50 0 IHAARN CC(=O)Oc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c(C)c1 ZINC000001210220 555681913 /nfs/dbraw/zinc/68/19/13/555681913.db2.gz YXLJGKRXIMROMP-UHFFFAOYSA-N 0 0 440.411 3.889 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)n1 ZINC000009723586 555683345 /nfs/dbraw/zinc/68/33/45/555683345.db2.gz WTJRNVPMNNYAHI-UHFFFAOYSA-N 0 0 446.554 3.594 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1OC ZINC000001297246 555689324 /nfs/dbraw/zinc/68/93/24/555689324.db2.gz CXPLOZFSAUNNHM-LJQANCHMSA-N 0 0 427.526 3.534 50 0 IHAARN CCc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1ccc(Br)cc1 ZINC000046153778 555693379 /nfs/dbraw/zinc/69/33/79/555693379.db2.gz YQYHPZOBTXICRS-UHFFFAOYSA-N 0 0 443.326 3.970 50 0 IHAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1OC ZINC000001455224 555699924 /nfs/dbraw/zinc/69/99/24/555699924.db2.gz YKJBOWXHCIUTBG-OAHLLOKOSA-N 0 0 444.553 3.805 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1 ZINC000001805650 555717553 /nfs/dbraw/zinc/71/75/53/555717553.db2.gz XYCPVZWZTAVBMS-UHFFFAOYSA-N 0 0 429.918 3.565 50 0 aggregator IHAARN Cc1onc(-c2ccccc2)c1C(=O)NCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002096139 555742409 /nfs/dbraw/zinc/74/24/09/555742409.db2.gz RMBRHLVOACNWJF-UHFFFAOYSA-N 0 0 430.464 3.773 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1F)N1CCC2(C[C@@H]2c2nc(-c3cccnc3)no2)CC1 ZINC000071890442 555744919 /nfs/dbraw/zinc/74/49/19/555744919.db2.gz IQIOUQOBXNDDNW-CQSZACIVSA-N 0 0 448.907 3.883 50 0 IHAARN COc1cccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)c1 ZINC000002332837 555769569 /nfs/dbraw/zinc/76/95/69/555769569.db2.gz UVJAENGRIPBNMW-UHFFFAOYSA-N 0 0 433.512 3.709 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002502913 555784575 /nfs/dbraw/zinc/78/45/75/555784575.db2.gz ZWPLEMVRLDGJTJ-HXUWFJFHSA-N 0 0 432.542 3.943 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034667556 555791802 /nfs/dbraw/zinc/79/18/02/555791802.db2.gz RKCLSFDWYMNOQN-UHFFFAOYSA-N 0 0 440.425 3.714 50 0 IHAARN O=C(c1ccccc1Cl)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679164 555798318 /nfs/dbraw/zinc/79/83/18/555798318.db2.gz HHBIOGCFPKZDLX-UHFFFAOYSA-N 0 0 425.964 3.919 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(O)n1 ZINC000002692094 555799295 /nfs/dbraw/zinc/79/92/95/555799295.db2.gz PNEFELIGZFJFLV-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2cccc(OC)c2)c1=O ZINC000034693324 555806575 /nfs/dbraw/zinc/80/65/75/555806575.db2.gz BIVOMRDOQXIXPC-UHFFFAOYSA-N 0 0 432.524 3.723 50 0 IHAARN CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000002739490 555807108 /nfs/dbraw/zinc/80/71/08/555807108.db2.gz QIGBZBFBFBVYNB-CQSZACIVSA-N 0 0 427.501 3.934 50 0 biogenic IHAARN Cc1cccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034693506 555807599 /nfs/dbraw/zinc/80/75/99/555807599.db2.gz UZCHZESDQHMVML-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)Cc4cccs4)cn3)CC2)cc1 ZINC000034680958 555813962 /nfs/dbraw/zinc/81/39/62/555813962.db2.gz PYRVJIXDDODYDT-UHFFFAOYSA-N 0 0 434.565 3.985 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc3nc(C)cc(C(F)F)n3n1)C[C@@H](C)CC2 ZINC000002768550 555814575 /nfs/dbraw/zinc/81/45/75/555814575.db2.gz GUYPNNVWEYSWNS-VIFPVBQESA-N 0 0 449.483 3.986 50 0 IHAARN COc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccccc2)c1 ZINC000002813052 555827842 /nfs/dbraw/zinc/82/78/42/555827842.db2.gz DJSPKHAVJGFXDL-UHFFFAOYSA-N 0 0 438.505 3.732 50 0 IHAARN CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000002815606 555828377 /nfs/dbraw/zinc/82/83/77/555828377.db2.gz QSLHDBNVVIRDFX-BOPFTXTBSA-N 0 0 445.313 3.865 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000002837125 555833805 /nfs/dbraw/zinc/83/38/05/555833805.db2.gz QJTJYJBIMYVUKG-HNNXBMFYSA-N 0 0 441.532 3.967 50 0 IHAARN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002841993 555836098 /nfs/dbraw/zinc/83/60/98/555836098.db2.gz UZJYXLBOBYAPDW-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034699995 555836658 /nfs/dbraw/zinc/83/66/58/555836658.db2.gz RWKNGPOQEIENRF-UHFFFAOYSA-N 0 0 448.958 3.826 50 0 IHAARN COCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000002858941 555843224 /nfs/dbraw/zinc/84/32/24/555843224.db2.gz ZIEDAYMNFAXLTR-UHFFFAOYSA-N 0 0 437.359 3.697 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000002861071 555844509 /nfs/dbraw/zinc/84/45/09/555844509.db2.gz TYGSSQZYMODCNR-UHFFFAOYSA-N 0 0 425.348 3.634 50 0 IHAARN CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002871593 555850051 /nfs/dbraw/zinc/85/00/51/555850051.db2.gz UPEPCWVVCGIKLO-UHFFFAOYSA-N 0 0 431.739 3.752 50 0 IHAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000002875573 555852029 /nfs/dbraw/zinc/85/20/29/555852029.db2.gz AQDNOJGXYVSOGB-LLVKDONJSA-N 0 0 445.324 3.573 50 0 IHAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3N2)c1 ZINC000002875781 555852341 /nfs/dbraw/zinc/85/23/41/555852341.db2.gz ZOTOPTLUAUYXAV-FUHWJXTLSA-N 0 0 431.418 3.877 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1)c1ccccc1 ZINC000002885200 555857829 /nfs/dbraw/zinc/85/78/29/555857829.db2.gz RJQJUNZKAUTTFP-OAHLLOKOSA-N 0 0 436.961 3.817 50 0 IHAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCCC(=O)Nc2ccccc2)n1C ZINC000002886315 555858119 /nfs/dbraw/zinc/85/81/19/555858119.db2.gz BNOSXXLSYUNFHO-AWEZNQCLSA-N 0 0 427.505 3.566 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002979543 555871554 /nfs/dbraw/zinc/87/15/54/555871554.db2.gz WBHFDUUHVGURFX-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1Br ZINC000002991711 555875216 /nfs/dbraw/zinc/87/52/16/555875216.db2.gz VKWCYZQYOGYGDV-UHFFFAOYSA-N 0 0 430.389 3.978 50 0 IHAARN CN(c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1)S(C)(=O)=O ZINC000003017322 555880947 /nfs/dbraw/zinc/88/09/47/555880947.db2.gz DYWYCHIHGQJIOU-UHFFFAOYSA-N 0 0 443.388 3.717 50 0 IHAARN COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1)C(F)(F)F ZINC000003103543 555887461 /nfs/dbraw/zinc/88/74/61/555887461.db2.gz SZJVYFYSRSYWNT-KRWDZBQOSA-N 0 0 432.782 3.916 50 0 IHAARN CCNC(=O)N1CCc2nc(N3CCC(C)CC3)nc(Oc3ccccc3OC)c2C1 ZINC000034757344 555902012 /nfs/dbraw/zinc/90/20/12/555902012.db2.gz MIECXZOFRHELGQ-UHFFFAOYSA-N 0 0 425.533 3.601 50 0 IHAARN COCC(=O)N1CCc2nc(N(C)Cc3ccccc3)nc(Oc3cccc(F)c3)c2C1 ZINC000034758091 555902906 /nfs/dbraw/zinc/90/29/06/555902906.db2.gz BCLORQNFCHKQFP-UHFFFAOYSA-N 0 0 436.487 3.576 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034830852 555911915 /nfs/dbraw/zinc/91/19/15/555911915.db2.gz ZICXRZHCWZMMJI-FQEVSTJZSA-N 0 0 434.927 4.000 50 0 IHAARN CCOC(=O)CCC(=O)Nc1ccc(N(C)C)c(CN(CC(C)C)C(=O)c2ccco2)c1 ZINC000034921515 555931849 /nfs/dbraw/zinc/93/18/49/555931849.db2.gz WCLLWDLAMGODGN-UHFFFAOYSA-N 0 0 443.544 3.926 50 0 IHAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000003640771 555943028 /nfs/dbraw/zinc/94/30/28/555943028.db2.gz LTSDSKVSBWCODT-FQEVSTJZSA-N 0 0 436.493 3.881 50 0 IHAARN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000004141503 555967878 /nfs/dbraw/zinc/96/78/78/555967878.db2.gz GQPKGZGUZWJMBN-QGZVFWFLSA-N 0 0 439.306 3.929 50 0 IHAARN Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004381140 555992003 /nfs/dbraw/zinc/99/20/03/555992003.db2.gz FPNMFQIVCFMXPW-UHFFFAOYSA-N 0 0 426.557 3.696 50 0 IHAARN O=C(COc1ccccc1)N[C@@H](C(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005077492 556031407 /nfs/dbraw/zinc/03/14/07/556031407.db2.gz CFNORSCJMXXUGN-SXYIGIQMSA-N 0 0 425.554 3.862 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000002223845 556059980 /nfs/dbraw/zinc/05/99/80/556059980.db2.gz DEFDSDVPMAAZLU-UHFFFAOYSA-N 0 0 438.443 3.679 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C(C)C)ccc3C)CC2)cc1 ZINC000010567533 556069655 /nfs/dbraw/zinc/06/96/55/556069655.db2.gz AEQFFWSEQBASKV-UHFFFAOYSA-N 0 0 444.597 3.775 50 0 IHAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000006191403 556080037 /nfs/dbraw/zinc/08/00/37/556080037.db2.gz XPOYIEMOCCMSJB-AWNIVKPZSA-N 0 0 428.554 3.657 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000006245151 556082210 /nfs/dbraw/zinc/08/22/10/556082210.db2.gz GGXQRACLEHLKEV-QFIPXVFZSA-N 0 0 444.491 3.765 50 0 IHAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@@H]1C=C[C@H](NC(=O)c2ccccc2OC)C1 ZINC000022660590 556095153 /nfs/dbraw/zinc/09/51/53/556095153.db2.gz MYZGNJUAFVUAIP-DGGJZMOXSA-N 0 0 439.508 3.734 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@@H]2CCCO2)c1C ZINC000018596564 556114501 /nfs/dbraw/zinc/11/45/01/556114501.db2.gz PYLCSIFIFKWVBA-SJORKVTESA-N 0 0 442.585 3.923 50 0 IHAARN Cc1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000002666962 556119896 /nfs/dbraw/zinc/11/98/96/556119896.db2.gz OUTODQSSWVJHSQ-KRWDZBQOSA-N 0 0 433.767 3.755 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCC(C)CC2)CCS3)cc1 ZINC000002719880 556126268 /nfs/dbraw/zinc/12/62/68/556126268.db2.gz LUYKXMWBDHYEJS-UHFFFAOYSA-N 0 0 445.610 3.630 50 0 IHAARN COc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000002723906 556129106 /nfs/dbraw/zinc/12/91/06/556129106.db2.gz HLNIWZSENNIGEJ-UHFFFAOYSA-N 0 0 431.539 3.650 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O)N1CCc2ccccc21 ZINC000002716378 556130821 /nfs/dbraw/zinc/13/08/21/556130821.db2.gz OONGUUNGADNXNA-UHFFFAOYSA-N 0 0 430.479 3.992 50 0 IHAARN CC(C)(C)[C@@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000002786889 556138807 /nfs/dbraw/zinc/13/88/07/556138807.db2.gz RPIBTQGNFBCWEL-GFCCVEGCSA-N 0 0 444.324 3.888 50 0 IHAARN CCn1cc(-c2cc(C(=O)NCCn3cc(Br)cn3)c3ccccc3n2)cn1 ZINC000002808284 556146659 /nfs/dbraw/zinc/14/66/59/556146659.db2.gz LTFIDPBXHMFRLE-UHFFFAOYSA-N 0 0 439.317 3.507 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C ZINC000002954398 556150936 /nfs/dbraw/zinc/15/09/36/556150936.db2.gz NARYPQURFZXMEQ-KRWDZBQOSA-N 0 0 429.923 3.798 50 0 IHAARN O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000002952252 556151620 /nfs/dbraw/zinc/15/16/20/556151620.db2.gz ABGAVZQDWUGXRQ-UHFFFAOYSA-N 0 0 437.499 3.668 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 ZINC000003008561 556155036 /nfs/dbraw/zinc/15/50/36/556155036.db2.gz FIJHOGALPKUIFD-UHFFFAOYSA-N 0 0 431.901 3.523 50 0 IHAARN O=C(Cn1cc(C(=O)C(=O)NCCCc2ccccc2)c2ccccc21)N1CCCCC1 ZINC000003015378 556157929 /nfs/dbraw/zinc/15/79/29/556157929.db2.gz LCNNKECLYDULQL-UHFFFAOYSA-N 0 0 431.536 3.586 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000008437221 556173718 /nfs/dbraw/zinc/17/37/18/556173718.db2.gz UBDCFVNCTRZTLX-HSZRJFAPSA-N 0 0 447.539 3.838 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449894 556181072 /nfs/dbraw/zinc/18/10/72/556181072.db2.gz LLAXYEMFDRGWOT-SGNKAXLRSA-N 0 0 431.488 3.879 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000008589807 556188326 /nfs/dbraw/zinc/18/83/26/556188326.db2.gz MLKNZABFGRREGJ-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 ZINC000008591539 556188997 /nfs/dbraw/zinc/18/89/97/556188997.db2.gz QMOBGFBACDPEHF-NRFANRHFSA-N 0 0 449.507 3.890 50 0 IHAARN CCOC(=O)CN1c2ccccc2CC[C@@H](Sc2n[nH]c(-c3cccc(C)c3)n2)C1=O ZINC000008681100 556199252 /nfs/dbraw/zinc/19/92/52/556199252.db2.gz JRDAECDPTXTICE-LJQANCHMSA-N 0 0 436.537 3.783 50 0 IHAARN NC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000010606146 556211055 /nfs/dbraw/zinc/21/10/55/556211055.db2.gz LUGBNEAXNQZXRM-UHFFFAOYSA-N 0 0 427.501 3.556 50 0 IHAARN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000010607872 556215275 /nfs/dbraw/zinc/21/52/75/556215275.db2.gz RDKQTJNZBADHCQ-QGZVFWFLSA-N 0 0 436.508 3.832 50 0 IHAARN CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000008845379 556226938 /nfs/dbraw/zinc/22/69/38/556226938.db2.gz PFLGFDUXKAYOSF-NRFANRHFSA-N 0 0 427.888 3.680 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(OC)cc2OC)C1=O ZINC000008920203 556233219 /nfs/dbraw/zinc/23/32/19/556233219.db2.gz YIHJTZSDKPUKON-NRFANRHFSA-N 0 0 448.313 3.684 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000008969226 556237223 /nfs/dbraw/zinc/23/72/23/556237223.db2.gz ZSCASGFGWODMCI-FQEVSTJZSA-N 0 0 425.485 3.596 50 0 IHAARN O=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccc(F)cc1 ZINC000009045240 556242862 /nfs/dbraw/zinc/24/28/62/556242862.db2.gz DRAIIRKTMOUFEV-MRCUWXFGSA-N 0 0 427.460 3.513 50 0 IHAARN Cn1c2nc3n(c2c(=O)n(C/C=C\c2ccccc2)c1=O)CCCN3c1cccc(Cl)c1 ZINC000097568689 556248575 /nfs/dbraw/zinc/24/85/75/556248575.db2.gz CPYUPOWGOYVOEM-POHAHGRESA-N 0 0 447.926 3.805 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 ZINC000009191037 556253469 /nfs/dbraw/zinc/25/34/69/556253469.db2.gz ZQBRGQHCSPFSKN-FQEVSTJZSA-N 0 0 449.551 3.624 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009197166 556255322 /nfs/dbraw/zinc/25/53/22/556255322.db2.gz XCIIBHDACBHOLU-ZWKOTPCHSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000009197361 556255685 /nfs/dbraw/zinc/25/56/85/556255685.db2.gz LKMNOGZVNQNSMB-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O ZINC000009198225 556256203 /nfs/dbraw/zinc/25/62/03/556256203.db2.gz BYURQIULMCONBQ-HNNXBMFYSA-N 0 0 436.493 3.602 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009198071 556256247 /nfs/dbraw/zinc/25/62/47/556256247.db2.gz MHLAKYIRAKNDHJ-INIZCTEOSA-N 0 0 435.509 3.578 50 0 IHAARN O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199069 556256779 /nfs/dbraw/zinc/25/67/79/556256779.db2.gz ICJQJHFJHZYISD-KRWDZBQOSA-N 0 0 427.907 3.710 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199141 556256814 /nfs/dbraw/zinc/25/68/14/556256814.db2.gz WTYXZJWRCOBSJG-HNNXBMFYSA-N 0 0 439.899 3.622 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cc(Cl)ccc1Cl ZINC000009225810 556260133 /nfs/dbraw/zinc/26/01/33/556260133.db2.gz LNAUAOYMANPEFI-UHFFFAOYSA-N 0 0 439.430 3.942 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237944 556264743 /nfs/dbraw/zinc/26/47/43/556264743.db2.gz JYKQDGQITFIVOY-HOTGVXAUSA-N 0 0 448.321 3.886 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 ZINC000009238633 556265081 /nfs/dbraw/zinc/26/50/81/556265081.db2.gz BKCSINXPPDCJJA-QZTJIDSGSA-N 0 0 445.932 3.655 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)c1 ZINC000009305568 556276599 /nfs/dbraw/zinc/27/65/99/556276599.db2.gz ZUZNICFZQDMNGZ-UHFFFAOYSA-N 0 0 443.960 3.746 50 0 IHAARN O=C(Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O)N1CCCCC1 ZINC000013686528 556276633 /nfs/dbraw/zinc/27/66/33/556276633.db2.gz PVKKWSWAHUWRIM-UHFFFAOYSA-N 0 0 434.521 3.767 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000009310523 556278848 /nfs/dbraw/zinc/27/88/48/556278848.db2.gz CRQFEECLVFPIJZ-BFQRBYDTSA-N 0 0 448.519 3.603 50 0 IHAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000013691203 556280680 /nfs/dbraw/zinc/28/06/80/556280680.db2.gz ZYTDFKJZWDKCLZ-UHFFFAOYSA-N 0 0 425.479 3.966 50 0 IHAARN CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OCC)cc4)cc3c2=O)cc1 ZINC000009321193 556281101 /nfs/dbraw/zinc/28/11/01/556281101.db2.gz QCOBFLUSUNMSKE-UHFFFAOYSA-N 0 0 432.480 3.599 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccn4)c3N2)cc1 ZINC000009410999 556288493 /nfs/dbraw/zinc/28/84/93/556288493.db2.gz QVSNFGNZVHFXDI-ROUUACIJSA-N 0 0 431.418 3.877 50 0 IHAARN O=C(NCc1ccccn1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009410987 556288498 /nfs/dbraw/zinc/28/84/98/556288498.db2.gz MDRYMFTVWPUVFC-KDOFPFPSSA-N 0 0 445.401 3.597 50 0 IHAARN O=C(C[C@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013721063 556290066 /nfs/dbraw/zinc/29/00/66/556290066.db2.gz RBWZJIMRIKDJSK-HSZRJFAPSA-N 0 0 440.503 3.720 50 0 IHAARN O=S(=O)(c1nc(-c2ccco2)oc1N1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000013729266 556294449 /nfs/dbraw/zinc/29/44/49/556294449.db2.gz ZZZRSEIQCYTLMK-UHFFFAOYSA-N 0 0 430.482 3.919 50 0 IHAARN CC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 ZINC000013732918 556296343 /nfs/dbraw/zinc/29/63/43/556296343.db2.gz MJHZDMPFYMPLDE-QHCPKHFHSA-N 0 0 426.476 3.851 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc(OC)c1OC ZINC000013732867 556296456 /nfs/dbraw/zinc/29/64/56/556296456.db2.gz RWASLKROTSERDP-UHFFFAOYSA-N 0 0 438.528 3.837 50 0 IHAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)cc1 ZINC000009547850 556297674 /nfs/dbraw/zinc/29/76/74/556297674.db2.gz NQDGRZCQADZYQO-AREMUKBSSA-N 0 0 431.488 3.972 50 0 IHAARN O=C(COc1cccc(Cl)c1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000032739518 556300035 /nfs/dbraw/zinc/30/00/35/556300035.db2.gz PXFIQFDBJPEXFL-GFCCVEGCSA-N 0 0 434.366 3.650 50 0 IHAARN COC(=O)/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C1=C(N=2)/C(=C/c2ccccc2)CCC1 ZINC000013759302 556301578 /nfs/dbraw/zinc/30/15/78/556301578.db2.gz VEAGHSKLQIKKMD-JVORCBIZSA-N 0 0 442.540 3.608 50 0 IHAARN COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 ZINC000013768944 556304357 /nfs/dbraw/zinc/30/43/57/556304357.db2.gz KWQTVZAGGAAAMH-DQRAZIAOSA-N 0 0 431.583 3.736 50 0 IHAARN CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661620 556304647 /nfs/dbraw/zinc/30/46/47/556304647.db2.gz ZISFZCGPCLUYDW-UHFFFAOYSA-N 0 0 444.535 3.732 50 0 IHAARN C[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009667831 556305144 /nfs/dbraw/zinc/30/51/44/556305144.db2.gz SUDNQBPIMRYPNX-LBPRGKRZSA-N 0 0 439.566 3.697 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000013777498 556307778 /nfs/dbraw/zinc/30/77/78/556307778.db2.gz CRQFEECLVFPIJZ-JDAOLRGGSA-N 0 0 448.519 3.603 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c1 ZINC000013777337 556307815 /nfs/dbraw/zinc/30/78/15/556307815.db2.gz KCWWJCGIVTXAJS-HDYLNDSGSA-N 0 0 438.568 3.688 50 0 IHAARN CN1C(=O)c2ccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2C1=O ZINC000032738434 556308508 /nfs/dbraw/zinc/30/85/08/556308508.db2.gz BHSSWWONZGLBMQ-UHFFFAOYSA-N 0 0 436.471 3.695 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCc2ccc3c(c2)OCO3)c1C ZINC000009830264 556310357 /nfs/dbraw/zinc/31/03/57/556310357.db2.gz XXWKHYCXUFDAHL-UHFFFAOYSA-N 0 0 434.492 3.994 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccccc2)c1 ZINC000009830277 556310420 /nfs/dbraw/zinc/31/04/20/556310420.db2.gz LRQJQBZYLVZVCU-UHFFFAOYSA-N 0 0 432.505 3.579 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 ZINC000009892372 556315687 /nfs/dbraw/zinc/31/56/87/556315687.db2.gz OGXGIOFSRUQHNQ-HXUWFJFHSA-N 0 0 437.496 3.604 50 0 IHAARN O=S(=O)(c1ccccc1)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907563 556316330 /nfs/dbraw/zinc/31/63/30/556316330.db2.gz OIEVYSUXNOPZES-UHFFFAOYSA-N 0 0 431.568 3.862 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009933957 556317267 /nfs/dbraw/zinc/31/72/67/556317267.db2.gz FIJJXQWHYGZFBO-NRFANRHFSA-N 0 0 433.464 3.963 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000009933960 556317291 /nfs/dbraw/zinc/31/72/91/556317291.db2.gz ASFFSWSROWUQMZ-NRFANRHFSA-N 0 0 439.512 3.916 50 0 IHAARN CCOC(=O)c1c2ccc(Br)c(OC[C@@H](C)CO)c2sc1NC(C)=O ZINC000009942983 556318881 /nfs/dbraw/zinc/31/88/81/556318881.db2.gz SQNXCHYLCMAWQS-VIFPVBQESA-N 0 0 430.320 3.806 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000032759425 556319512 /nfs/dbraw/zinc/31/95/12/556319512.db2.gz UXBGARNZDCRNDD-INIZCTEOSA-N 0 0 444.557 3.627 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2c(C)noc2C)cc1 ZINC000009982148 556320064 /nfs/dbraw/zinc/32/00/64/556320064.db2.gz ROIDQIMPQVWWRH-OAQYLSRUSA-N 0 0 433.464 3.835 50 0 IHAARN COc1ccccc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010007611 556320483 /nfs/dbraw/zinc/32/04/83/556320483.db2.gz FOQFTQRCXLODNP-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2F)cc1 ZINC000010013798 556322695 /nfs/dbraw/zinc/32/26/95/556322695.db2.gz WKKATDCJVGJSAD-UHFFFAOYSA-N 0 0 442.512 3.706 50 0 IHAARN COc1ccc([C@@H]2CCCN2Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000032778007 556331173 /nfs/dbraw/zinc/33/11/73/556331173.db2.gz ADLYHNORWBBOFT-IBGZPJMESA-N 0 0 426.517 3.953 50 0 IHAARN Cc1nn(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(=S)n1C1CC1 ZINC000032771173 556334819 /nfs/dbraw/zinc/33/48/19/556334819.db2.gz SANSOSIHHQAIOH-UHFFFAOYSA-N 0 0 426.615 3.956 50 0 IHAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)CC1=O ZINC000010462026 556335475 /nfs/dbraw/zinc/33/54/75/556335475.db2.gz HIQKASQOJJDNSJ-KRWDZBQOSA-N 0 0 439.512 3.543 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 ZINC000013944340 556341396 /nfs/dbraw/zinc/34/13/96/556341396.db2.gz XTFQXGKDKYTAHN-AWEZNQCLSA-N 0 0 438.509 3.718 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 ZINC000013944759 556342321 /nfs/dbraw/zinc/34/23/21/556342321.db2.gz IGDIUGHACSWLCK-OAHLLOKOSA-N 0 0 441.915 3.868 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 ZINC000011661573 556343183 /nfs/dbraw/zinc/34/31/83/556343183.db2.gz LKPNAFCVVVVTFY-DEOSSOPVSA-N 0 0 427.472 3.641 50 0 IHAARN COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)cc1OC ZINC000011661259 556343187 /nfs/dbraw/zinc/34/31/87/556343187.db2.gz BUUVAUBIIRAULK-GOSISDBHSA-N 0 0 427.451 3.904 50 0 IHAARN Cc1nn(C)cc1/C=C1/N=C(SCC(=O)NCc2ccccc2)N(c2ccccc2)C1=O ZINC000013959456 556346445 /nfs/dbraw/zinc/34/64/45/556346445.db2.gz GDUGBABVLCFCKF-FYJGNVAPSA-N 0 0 445.548 3.522 50 0 IHAARN CCCc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)no1 ZINC000011763178 556349303 /nfs/dbraw/zinc/34/93/03/556349303.db2.gz BIAMTCSZTSZJKN-UHFFFAOYSA-N 0 0 437.500 3.562 50 0 IHAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000011775816 556350972 /nfs/dbraw/zinc/35/09/72/556350972.db2.gz XMMJMZKRTHFSMD-JOCHJYFZSA-N 0 0 436.487 3.826 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 ZINC000011782979 556351340 /nfs/dbraw/zinc/35/13/40/556351340.db2.gz UXTWHOISLFYLGE-CUNXSJBXSA-N 0 0 444.531 3.768 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000032778426 556351508 /nfs/dbraw/zinc/35/15/08/556351508.db2.gz DCUQBVRNUYSINN-LBPRGKRZSA-N 0 0 440.554 3.994 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 ZINC000011812698 556356273 /nfs/dbraw/zinc/35/62/73/556356273.db2.gz WRVXSFKGMYWKIO-NRFANRHFSA-N 0 0 437.588 3.704 50 0 IHAARN CN(C[C@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011813585 556356862 /nfs/dbraw/zinc/35/68/62/556356862.db2.gz PFAAEQZZUGVWGH-KOSHJBKYSA-N 0 0 446.975 3.697 50 0 IHAARN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000011814231 556357598 /nfs/dbraw/zinc/35/75/98/556357598.db2.gz GSNDYBKUBUXFRT-QGZVFWFLSA-N 0 0 425.916 3.913 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000011816656 556359131 /nfs/dbraw/zinc/35/91/31/556359131.db2.gz DXGPCMBZUAQAHF-MHZLTWQESA-N 0 0 446.547 3.875 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCn2nc(C)cc2C)C1 ZINC000011818302 556360596 /nfs/dbraw/zinc/36/05/96/556360596.db2.gz MZEOPXOQISUHTG-QHCPKHFHSA-N 0 0 431.964 3.958 50 0 IHAARN O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000011819741 556361600 /nfs/dbraw/zinc/36/16/00/556361600.db2.gz POLNUOLXGROHOF-UHFFFAOYSA-N 0 0 446.555 3.534 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000011820182 556361967 /nfs/dbraw/zinc/36/19/67/556361967.db2.gz RRMWMCULZZZDQG-AREMUKBSSA-N 0 0 431.536 3.965 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000032796862 556362707 /nfs/dbraw/zinc/36/27/07/556362707.db2.gz SQENXMXIRBWEPX-INIZCTEOSA-N 0 0 440.459 3.746 50 0 IHAARN O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000011839362 556364188 /nfs/dbraw/zinc/36/41/88/556364188.db2.gz IPSYOGJNOVLZEC-VWLOTQADSA-N 0 0 430.504 3.824 50 0 IHAARN COc1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1NC(C)=O ZINC000014093869 556366192 /nfs/dbraw/zinc/36/61/92/556366192.db2.gz DQHPLBCQNQRNLD-UHFFFAOYSA-N 0 0 442.522 3.831 50 0 IHAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000011843353 556366724 /nfs/dbraw/zinc/36/67/24/556366724.db2.gz APNZZDKHPUXWDD-UGKGYDQZSA-N 0 0 440.584 3.815 50 0 IHAARN O=C(c1cccnc1)N1CCC(Oc2ccccc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000011844256 556367065 /nfs/dbraw/zinc/36/70/65/556367065.db2.gz LRRDAJUNAFEOLF-UHFFFAOYSA-N 0 0 441.531 3.964 50 0 IHAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 ZINC000014109465 556369018 /nfs/dbraw/zinc/36/90/18/556369018.db2.gz QGPTUCOSFCQTAE-VWLOTQADSA-N 0 0 435.524 3.884 50 0 IHAARN O=C(CCc1cnn(-c2ccccc2)c1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000032808914 556369847 /nfs/dbraw/zinc/36/98/47/556369847.db2.gz YBXIICJPDAAEQA-UHFFFAOYSA-N 0 0 444.491 3.662 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N(Cc3ccncc3)C[C@H]3CCCO3)o2)s1 ZINC000011873851 556370253 /nfs/dbraw/zinc/37/02/53/556370253.db2.gz GCDFZNWMGJCDMS-QGZVFWFLSA-N 0 0 440.525 3.536 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)c(F)c1 ZINC000011874359 556370545 /nfs/dbraw/zinc/37/05/45/556370545.db2.gz WAPNFBZPRCYLGQ-INIZCTEOSA-N 0 0 444.478 3.685 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc(Br)c1OC ZINC000014129423 556374528 /nfs/dbraw/zinc/37/45/28/556374528.db2.gz JZRMPODBIARPSS-BETUJISGSA-N 0 0 428.323 3.803 50 0 IHAARN CSc1nnc(CNS(=O)(=O)c2ccccc2C(F)(F)F)n1-c1ccccc1C ZINC000011912937 556375557 /nfs/dbraw/zinc/37/55/57/556375557.db2.gz PWCYOJZTZBHGST-UHFFFAOYSA-N 0 0 442.488 3.795 50 0 IHAARN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000014141196 556376601 /nfs/dbraw/zinc/37/66/01/556376601.db2.gz WCSPYUHOGLXBDO-GOSISDBHSA-N 0 0 425.872 3.646 50 0 IHAARN O=C(CN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1)N1CCCCCC1 ZINC000014141760 556376810 /nfs/dbraw/zinc/37/68/10/556376810.db2.gz AGIJTFLYYSOLJF-UHFFFAOYSA-N 0 0 437.968 3.854 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3cc(Br)ccc3=O)[C@H](c3cccs3)C2)o1 ZINC000014142407 556377468 /nfs/dbraw/zinc/37/74/68/556377468.db2.gz ZEXBNOXIHCPEFF-HNNXBMFYSA-N 0 0 446.326 3.952 50 0 IHAARN COc1cc(CN(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCc1ccccc1 ZINC000014168402 556380578 /nfs/dbraw/zinc/38/05/78/556380578.db2.gz UVHNBZWXCXXCGI-UHFFFAOYSA-N 0 0 429.480 3.727 50 0 IHAARN O=C(CN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1ccccc1C(F)(F)F ZINC000014196755 556388504 /nfs/dbraw/zinc/38/85/04/556388504.db2.gz JCJOHLQCMGGIQS-UHFFFAOYSA-N 0 0 430.430 3.583 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@@H](C)N(c4ccc(C)cc4)C3=O)ccc2c1 ZINC000014196987 556388751 /nfs/dbraw/zinc/38/87/51/556388751.db2.gz WJBZJHYSYCSIPL-GOSISDBHSA-N 0 0 445.519 3.973 50 0 IHAARN COc1ccc(CCNC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)cc1 ZINC000012035573 556389436 /nfs/dbraw/zinc/38/94/36/556389436.db2.gz IEPLQBFXLGDVCA-KRWDZBQOSA-N 0 0 426.542 3.572 50 0 IHAARN CCc1c(C(=O)NCc2ccc(OC)cc2OC)c(=O)cc(C)n1Cc1cccs1 ZINC000012036963 556390203 /nfs/dbraw/zinc/39/02/03/556390203.db2.gz ATXZVFIUHUZAJC-UHFFFAOYSA-N 0 0 426.538 3.776 50 0 IHAARN CN(Cc1ccc(C(C)(C)C)cc1)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=S ZINC000014200300 556390882 /nfs/dbraw/zinc/39/08/82/556390882.db2.gz QRLLJASAQTXEOW-UHFFFAOYSA-N 0 0 449.642 3.625 50 0 IHAARN CNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 ZINC000014200105 556390919 /nfs/dbraw/zinc/39/09/19/556390919.db2.gz TZASCZOYHXKRQF-FQEVSTJZSA-N 0 0 446.532 3.569 50 0 IHAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000012048773 556391888 /nfs/dbraw/zinc/39/18/88/556391888.db2.gz ZEIJLTAMXMDZSG-IBGZPJMESA-N 0 0 431.458 3.702 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014202268 556392346 /nfs/dbraw/zinc/39/23/46/556392346.db2.gz ABLGYVBJVOXQBK-XMMPIXPASA-N 0 0 445.563 3.968 50 0 IHAARN O=c1c2c(nc(CN3CCCC3)n1C[C@H](O)c1ccccc1F)sc1c2CCCC1 ZINC000032810114 556395464 /nfs/dbraw/zinc/39/54/64/556395464.db2.gz QKJMTAHEBDKDDO-SFHVURJKSA-N 0 0 427.545 3.805 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000014227858 556395486 /nfs/dbraw/zinc/39/54/86/556395486.db2.gz VVNLRPBPFCMXPA-UHFFFAOYSA-N 0 0 431.851 3.939 50 0 IHAARN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2nnc(-c3cccs3)o2)C1=O ZINC000014233008 556398612 /nfs/dbraw/zinc/39/86/12/556398612.db2.gz OXILVBMTYYNNOA-QGZVFWFLSA-N 0 0 433.287 3.528 50 0 IHAARN O=C(NCc1ccc(CN2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000014235988 556399102 /nfs/dbraw/zinc/39/91/02/556399102.db2.gz UJARJFHVPPXBHL-SEJPIABJSA-N 0 0 432.655 3.748 50 0 IHAARN C[C@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CC1 ZINC000032814635 556400375 /nfs/dbraw/zinc/40/03/75/556400375.db2.gz TWXOBWDZTJTDFW-CYBMUJFWSA-N 0 0 441.391 3.637 50 0 IHAARN C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014242614 556403216 /nfs/dbraw/zinc/40/32/16/556403216.db2.gz FRRKEFRMFQMBOO-MNOVXSKESA-N 0 0 446.583 3.732 50 0 IHAARN CCOc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1OC ZINC000014242801 556403430 /nfs/dbraw/zinc/40/34/30/556403430.db2.gz CYEOBEGRHOIFRM-LJQANCHMSA-N 0 0 433.936 3.942 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000014244500 556404193 /nfs/dbraw/zinc/40/41/93/556404193.db2.gz GRRIJVDGIFQKGA-HXUWFJFHSA-N 0 0 448.585 3.888 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Br)o3)ccc2c1 ZINC000014246324 556406256 /nfs/dbraw/zinc/40/62/56/556406256.db2.gz LQPGFAXGMNZXHG-UHFFFAOYSA-N 0 0 431.286 3.592 50 0 IHAARN Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000014246306 556406287 /nfs/dbraw/zinc/40/62/87/556406287.db2.gz LGGRWBPAUDLMCA-UHFFFAOYSA-N 0 0 446.544 3.606 50 0 IHAARN CN1C(=O)C(=O)N(Cc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2)C1=O ZINC000014246519 556406560 /nfs/dbraw/zinc/40/65/60/556406560.db2.gz GYGBMIXERJNSST-UHFFFAOYSA-N 0 0 429.432 3.652 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014247064 556406847 /nfs/dbraw/zinc/40/68/47/556406847.db2.gz MMHOCJKWLDWJAV-OAQYLSRUSA-N 0 0 441.553 3.666 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c32)c1C ZINC000014246843 556406875 /nfs/dbraw/zinc/40/68/75/556406875.db2.gz VEABUFINKCJHJY-LBPRGKRZSA-N 0 0 425.441 3.568 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000032825237 556410603 /nfs/dbraw/zinc/41/06/03/556410603.db2.gz KSVQPXXWCJCPRR-UHFFFAOYSA-N 0 0 439.899 3.855 50 0 IHAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000032820936 556412691 /nfs/dbraw/zinc/41/26/91/556412691.db2.gz GMLPPBKBHMIDMC-KDOFPFPSSA-N 0 0 442.537 3.941 50 0 IHAARN CCCCOc1ccc(C(=O)NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000014352506 556413926 /nfs/dbraw/zinc/41/39/26/556413926.db2.gz MXMAKSYJNXFXHN-UHFFFAOYSA-N 0 0 430.545 3.621 50 0 IHAARN CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000032670043 556414204 /nfs/dbraw/zinc/41/42/04/556414204.db2.gz HTBGNLAMGRIYMD-IAGOWNOFSA-N 0 0 439.516 3.524 50 0 IHAARN CC[C@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000032670045 556414255 /nfs/dbraw/zinc/41/42/55/556414255.db2.gz HTBGNLAMGRIYMD-DLBZAZTESA-N 0 0 439.516 3.524 50 0 IHAARN CCCN1Cn2c3ccccc3nc2N(CN2CN(CCC)Cn3c4ccccc4nc32)C1 ZINC000004391518 556414987 /nfs/dbraw/zinc/41/49/87/556414987.db2.gz VFIBNBANIYYKCH-UHFFFAOYSA-N 0 0 444.587 3.938 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000032674804 556415498 /nfs/dbraw/zinc/41/54/98/556415498.db2.gz KYOAVLLJGJMWEP-QFIPXVFZSA-N 0 0 441.491 3.572 50 0 IHAARN Cc1ccc(NC(=O)NCCn2cnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1Cl ZINC000064755564 556416145 /nfs/dbraw/zinc/41/61/45/556416145.db2.gz ZEYBCQDDSYXHGI-UHFFFAOYSA-N 0 0 449.964 3.507 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@H](c2ccc(F)cc2F)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000032665959 556417132 /nfs/dbraw/zinc/41/71/32/556417132.db2.gz NYLZKRHUCXNIDT-FQEVSTJZSA-N 0 0 445.491 3.534 50 0 IHAARN Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc2ccccc12 ZINC000032831395 556417235 /nfs/dbraw/zinc/41/72/35/556417235.db2.gz MZGXDJITEWOYJK-QGZVFWFLSA-N 0 0 445.306 3.867 50 0 IHAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCn1nnc2ccccc2c1=O ZINC000032836776 556418437 /nfs/dbraw/zinc/41/84/37/556418437.db2.gz CRWCQECCYIFGCM-UHFFFAOYSA-N 0 0 433.434 3.685 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012974374 556420239 /nfs/dbraw/zinc/42/02/39/556420239.db2.gz NTIQAWFMNJAXCU-OAHLLOKOSA-N 0 0 427.482 3.947 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2c(C)cc(Cl)cc2C)CC1 ZINC000012974976 556420906 /nfs/dbraw/zinc/42/09/06/556420906.db2.gz DSNWJZAPHYFWEW-UHFFFAOYSA-N 0 0 443.975 3.735 50 0 IHAARN CC(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 ZINC000012975354 556421093 /nfs/dbraw/zinc/42/10/93/556421093.db2.gz MRFIXDHBQGKUQF-KRWDZBQOSA-N 0 0 425.348 3.614 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012985488 556426599 /nfs/dbraw/zinc/42/65/99/556426599.db2.gz AHRFZVPLJVDVNL-LLVKDONJSA-N 0 0 426.888 3.674 50 0 IHAARN Nc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2sccc21 ZINC000032841108 556426690 /nfs/dbraw/zinc/42/66/90/556426690.db2.gz VZUFQLCVJFYMTR-CQSZACIVSA-N 0 0 428.539 3.501 50 0 IHAARN COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000032845147 556429271 /nfs/dbraw/zinc/42/92/71/556429271.db2.gz DANJKKQBRZGUFL-CZUORRHYSA-N 0 0 437.949 3.853 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1NC(C)=O ZINC000012994228 556429922 /nfs/dbraw/zinc/42/99/22/556429922.db2.gz FXXVNUGVQNSHDR-QGZVFWFLSA-N 0 0 431.539 3.789 50 0 IHAARN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012994412 556430047 /nfs/dbraw/zinc/43/00/47/556430047.db2.gz RHUYPZNXIPZELK-XMMPIXPASA-N 0 0 441.531 3.710 50 0 IHAARN O=C(CCc1ccc2c(c1)OCCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032847993 556430537 /nfs/dbraw/zinc/43/05/37/556430537.db2.gz YOUZRLBKFLHVLV-UHFFFAOYSA-N 0 0 435.446 3.543 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000012995636 556431157 /nfs/dbraw/zinc/43/11/57/556431157.db2.gz FNQWYRZTXHSCPZ-UHFFFAOYSA-N 0 0 430.309 3.739 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000012996666 556431317 /nfs/dbraw/zinc/43/13/17/556431317.db2.gz NVDQGYGHGGUEAP-UHFFFAOYSA-N 0 0 432.876 3.558 50 0 IHAARN Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc2c1 ZINC000012996815 556431669 /nfs/dbraw/zinc/43/16/69/556431669.db2.gz ZDPKLQISFLFHLJ-UHFFFAOYSA-N 0 0 443.956 3.652 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)CC2)cc1 ZINC000027807175 556433038 /nfs/dbraw/zinc/43/30/38/556433038.db2.gz KBPYTFAXZPVPTG-UHFFFAOYSA-N 0 0 445.523 3.503 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000013001159 556433314 /nfs/dbraw/zinc/43/33/14/556433314.db2.gz GNUUBBFXGLRZDQ-UHFFFAOYSA-N 0 0 429.879 3.930 50 0 IHAARN CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 ZINC000013002270 556433847 /nfs/dbraw/zinc/43/38/47/556433847.db2.gz HRUAUPBUPJGIPN-UHFFFAOYSA-N 0 0 447.607 3.722 50 0 IHAARN COc1ccc(CCC2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 ZINC000032857668 556434188 /nfs/dbraw/zinc/43/41/88/556434188.db2.gz JIIXLKZGZMJSLV-UHFFFAOYSA-N 0 0 429.586 3.724 50 0 IHAARN CN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)sc2C1 ZINC000027989100 556439493 /nfs/dbraw/zinc/43/94/93/556439493.db2.gz DUWOKUNGHHUGBE-UHFFFAOYSA-N 0 0 440.529 3.832 50 0 IHAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000027994577 556441111 /nfs/dbraw/zinc/44/11/11/556441111.db2.gz IRHWXAWEEJSIGK-HNNXBMFYSA-N 0 0 432.270 3.970 50 0 IHAARN Cc1ccc(Nc2nc(COC(=O)CCNS(=O)(=O)c3ccccc3)cs2)cc1 ZINC000032957557 556443593 /nfs/dbraw/zinc/44/35/93/556443593.db2.gz XSFMKUOBYHADHX-UHFFFAOYSA-N 0 0 431.539 3.607 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000013038990 556444757 /nfs/dbraw/zinc/44/47/57/556444757.db2.gz JWHOHGHHFQRAGW-IYBDPMFKSA-N 0 0 426.513 3.562 50 0 IHAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1C ZINC000032859551 556445858 /nfs/dbraw/zinc/44/58/58/556445858.db2.gz RCQQBJFIHTXGEI-RCDICMHDSA-N 0 0 431.920 3.616 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 ZINC000013040083 556445898 /nfs/dbraw/zinc/44/58/98/556445898.db2.gz UQHBLQNNGMIWAM-UHFFFAOYSA-N 0 0 427.551 3.801 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000013040472 556446242 /nfs/dbraw/zinc/44/62/42/556446242.db2.gz JFJDRVCJPQAICN-UHFFFAOYSA-N 0 0 445.566 3.548 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000013040900 556446926 /nfs/dbraw/zinc/44/69/26/556446926.db2.gz HRNNRTYPNFEEQX-UHFFFAOYSA-N 0 0 442.581 3.930 50 0 IHAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014817569 556448258 /nfs/dbraw/zinc/44/82/58/556448258.db2.gz ZNLGAIDWWXANTH-UHFFFAOYSA-N 0 0 446.550 3.569 50 0 IHAARN CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 ZINC000013056900 556448810 /nfs/dbraw/zinc/44/88/10/556448810.db2.gz VSAMEDXCFFGLPZ-QGZVFWFLSA-N 0 0 442.581 3.900 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000014867427 556451710 /nfs/dbraw/zinc/45/17/10/556451710.db2.gz NQPYRKBZRQJAQJ-UHFFFAOYSA-N 0 0 442.585 3.836 50 0 IHAARN O=C(NCc1cccc(NC(=O)c2ccco2)c1)NCc1ccccc1Cn1cccn1 ZINC000028408689 556453938 /nfs/dbraw/zinc/45/39/38/556453938.db2.gz WBTVCKHVMKULEF-UHFFFAOYSA-N 0 0 429.480 3.776 50 0 IHAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1NC(=O)c1ccco1 ZINC000032958302 556454346 /nfs/dbraw/zinc/45/43/46/556454346.db2.gz DPUKYEXFXKPJAQ-AWEZNQCLSA-N 0 0 448.431 3.599 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COC(=O)C1CCC1 ZINC000028426937 556454587 /nfs/dbraw/zinc/45/45/87/556454587.db2.gz GBOZAYUFFYEOQR-UHFFFAOYSA-N 0 0 447.509 3.891 50 0 IHAARN Cn1c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)nnc1SC[C@@H]1CCCO1 ZINC000014887207 556455457 /nfs/dbraw/zinc/45/54/57/556455457.db2.gz STOQQWPLKQIZDD-FQEVSTJZSA-N 0 0 440.544 3.865 50 0 IHAARN O=C([C@@H]1CC12CCN(Cc1ccc(F)cc1F)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000014886675 556455505 /nfs/dbraw/zinc/45/55/05/556455505.db2.gz GKBRUOHAKDBCRW-QHCPKHFHSA-N 0 0 439.550 3.911 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000013095549 556456621 /nfs/dbraw/zinc/45/66/21/556456621.db2.gz OGALBCKRQXHVHR-UHFFFAOYSA-N 0 0 445.269 3.687 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)COc2ncnc3ccc(Br)cc32)c1 ZINC000013098038 556458748 /nfs/dbraw/zinc/45/87/48/556458748.db2.gz SSGLMQJCRQDESD-UHFFFAOYSA-N 0 0 430.258 3.505 50 0 IHAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013098908 556459450 /nfs/dbraw/zinc/45/94/50/556459450.db2.gz MIEXGMHFNYWZCQ-UHFFFAOYSA-N 0 0 439.518 3.872 50 0 IHAARN Cc1ccc(C(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1N1CCNC1=O ZINC000014948821 556460276 /nfs/dbraw/zinc/46/02/76/556460276.db2.gz VSLJSZNHLRDRET-KRWDZBQOSA-N 0 0 435.553 3.533 50 0 IHAARN CCOC(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2C)cc1 ZINC000011035154 556460974 /nfs/dbraw/zinc/46/09/74/556460974.db2.gz RGPQVTBBCVFOFD-UHFFFAOYSA-N 0 0 438.265 3.827 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)c2)cs1 ZINC000013108138 556461714 /nfs/dbraw/zinc/46/17/14/556461714.db2.gz WJZYQGOKIUVNJK-INIZCTEOSA-N 0 0 435.505 3.881 50 0 IHAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCn2ccc(C)n2)C3)s1 ZINC000014955333 556461854 /nfs/dbraw/zinc/46/18/54/556461854.db2.gz NYQIHVNVVFNWGY-QGZVFWFLSA-N 0 0 427.501 3.772 50 0 IHAARN Cc1nc2cc(OCc3cc(C(=O)N4CCN(c5ccccn5)CC4)no3)ccc2s1 ZINC000014954448 556461960 /nfs/dbraw/zinc/46/19/60/556461960.db2.gz DSVHNMJNFHCUMF-UHFFFAOYSA-N 0 0 435.509 3.529 50 0 IHAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCn2ccc(C)n2)C3)s1 ZINC000014955329 556461979 /nfs/dbraw/zinc/46/19/79/556461979.db2.gz NYQIHVNVVFNWGY-KRWDZBQOSA-N 0 0 427.501 3.772 50 0 IHAARN O=C(C[C@H]1Oc2ccccc2NC1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000013109296 556462671 /nfs/dbraw/zinc/46/26/71/556462671.db2.gz AVIZYOKJBRKSQC-GOSISDBHSA-N 0 0 438.871 3.671 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nccs3)cc2)C1=O ZINC000013109468 556462911 /nfs/dbraw/zinc/46/29/11/556462911.db2.gz SOMKNZWMEXNJGM-HSZRJFAPSA-N 0 0 434.521 3.692 50 0 IHAARN COc1cc2c(cc1NC(=O)N(CCO)CCOCC(F)(F)F)oc1ccccc12 ZINC000072281190 556463439 /nfs/dbraw/zinc/46/34/39/556463439.db2.gz MYKJNKJORIRZJB-UHFFFAOYSA-N 0 0 426.391 4.000 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000013109806 556463644 /nfs/dbraw/zinc/46/36/44/556463644.db2.gz ZPNBYTYPRKSRBD-OAHLLOKOSA-N 0 0 430.936 3.918 50 0 IHAARN COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000014963724 556465077 /nfs/dbraw/zinc/46/50/77/556465077.db2.gz KAGCAIYUVXRWTF-OAQYLSRUSA-N 0 0 433.508 3.937 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013112710 556465446 /nfs/dbraw/zinc/46/54/46/556465446.db2.gz ZDKQYZKXVCGSAR-UHFFFAOYSA-N 0 0 440.487 3.731 50 0 IHAARN Cc1c(C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000029012934 556465590 /nfs/dbraw/zinc/46/55/90/556465590.db2.gz VCXIKOCFMDDBBQ-CQSZACIVSA-N 0 0 446.429 3.971 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1cccs1 ZINC000013113166 556466188 /nfs/dbraw/zinc/46/61/88/556466188.db2.gz SMXHJPFCFMJRPM-ZDUSSCGKSA-N 0 0 427.555 3.883 50 0 IHAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000029118273 556467819 /nfs/dbraw/zinc/46/78/19/556467819.db2.gz YCODQMUNTRALDA-UHFFFAOYSA-N 0 0 449.367 3.668 50 0 IHAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000013115135 556467853 /nfs/dbraw/zinc/46/78/53/556467853.db2.gz KQPRPDQXUJAQNQ-UHFFFAOYSA-N 0 0 432.509 3.591 50 0 IHAARN COc1ccc([C@H](NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c2nccn2C)cc1 ZINC000029133549 556468248 /nfs/dbraw/zinc/46/82/48/556468248.db2.gz YIMFDBQDXPEHDF-QFIPXVFZSA-N 0 0 427.508 3.623 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)NC(=O)CS2 ZINC000029169666 556469288 /nfs/dbraw/zinc/46/92/88/556469288.db2.gz ZFFFVPKHKDSMCL-UHFFFAOYSA-N 0 0 425.491 3.878 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000013117502 556470172 /nfs/dbraw/zinc/47/01/72/556470172.db2.gz NEVXMIQAMFQRNF-UHFFFAOYSA-N 0 0 438.553 3.882 50 0 IHAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 ZINC000029214326 556470273 /nfs/dbraw/zinc/47/02/73/556470273.db2.gz WKFYVRGRWXSEMY-UHFFFAOYSA-N 0 0 447.354 3.674 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000029302766 556471879 /nfs/dbraw/zinc/47/18/79/556471879.db2.gz TUBUHLBRTWSXAQ-UHFFFAOYSA-N 0 0 438.940 3.521 50 0 IHAARN COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 ZINC000013121488 556474507 /nfs/dbraw/zinc/47/45/07/556474507.db2.gz CXYRIVOVTMYADB-UHFFFAOYSA-N 0 0 430.309 3.800 50 0 IHAARN CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc32)[C@H](O)[C@H]1c1ccc(OC)cc1 ZINC000013122289 556474890 /nfs/dbraw/zinc/47/48/90/556474890.db2.gz DULZPFDNCTYXTA-RPBOFIJWSA-N 0 0 449.507 3.558 50 0 IHAARN C[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000029509833 556477063 /nfs/dbraw/zinc/47/70/63/556477063.db2.gz XJMIWPQWQLNQIK-LJQANCHMSA-N 0 0 433.618 3.724 50 0 IHAARN O=C(COC(=O)C1=COCCO1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000013129201 556478849 /nfs/dbraw/zinc/47/88/49/556478849.db2.gz IWJXUMGGVQCULU-HSZRJFAPSA-N 0 0 442.471 3.949 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c2c1[C@@H](C)CC2=O ZINC000011052926 556479877 /nfs/dbraw/zinc/47/98/77/556479877.db2.gz VWGCZRDVNVBEOE-HNNXBMFYSA-N 0 0 444.553 3.570 50 0 IHAARN CC(=O)N1CCN(C(=O)c2sc3ncnc(N[C@H](C)c4cccs4)c3c2C)CC1 ZINC000015002438 556480460 /nfs/dbraw/zinc/48/04/60/556480460.db2.gz QZUUULGRCAMBSO-CYBMUJFWSA-N 0 0 429.571 3.539 50 0 IHAARN O=S(=O)(c1cccc(CSc2ccccc2Br)c1)N1CCOCC1 ZINC000029745015 556481230 /nfs/dbraw/zinc/48/12/30/556481230.db2.gz JMABVYAPORNIPF-UHFFFAOYSA-N 0 0 428.373 3.762 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000029755313 556481547 /nfs/dbraw/zinc/48/15/47/556481547.db2.gz NUMXNJRKQRWHRL-JOCHJYFZSA-N 0 0 429.423 3.616 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1C ZINC000029763601 556481870 /nfs/dbraw/zinc/48/18/70/556481870.db2.gz VLHLLVRELGHIBO-UGKGYDQZSA-N 0 0 442.943 3.907 50 0 IHAARN 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556484498 /nfs/dbraw/zinc/48/44/98/556484498.db2.gz QFGDPUIKEIDUSN-CYBMUJFWSA-N 0 0 449.960 3.553 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OC)ccc4OC)cc3C2=O)cc1 ZINC000013138616 556485393 /nfs/dbraw/zinc/48/53/93/556485393.db2.gz DJHCAOSYSGDXOF-UHFFFAOYSA-N 0 0 432.432 3.765 50 0 IHAARN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072290212 556485562 /nfs/dbraw/zinc/48/55/62/556485562.db2.gz QKQKFAGIRXZXMD-RPVQJOFSSA-N 0 0 434.462 3.921 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2c(C)c(C)sc2-n2cccc2)N2CCOCC2)cc1 ZINC000029901096 556486342 /nfs/dbraw/zinc/48/63/42/556486342.db2.gz WUJKYNBUHWZKCE-NRFANRHFSA-N 0 0 439.581 3.968 50 0 IHAARN CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 ZINC000072289889 556486549 /nfs/dbraw/zinc/48/65/49/556486549.db2.gz YSLYXEKUCHOPDL-INIZCTEOSA-N 0 0 449.623 3.844 50 0 IHAARN CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 ZINC000072289890 556486635 /nfs/dbraw/zinc/48/66/35/556486635.db2.gz YSLYXEKUCHOPDL-MRXNPFEDSA-N 0 0 449.623 3.844 50 0 IHAARN Cn1c(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)nnc1-c1cccs1 ZINC000029913101 556486641 /nfs/dbraw/zinc/48/66/41/556486641.db2.gz ATRIZPGZUIVAPU-UHFFFAOYSA-N 0 0 445.551 3.655 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013145512 556487720 /nfs/dbraw/zinc/48/77/20/556487720.db2.gz DZZJBCCKEXKZFU-QHCPKHFHSA-N 0 0 444.487 3.554 50 0 IHAARN O=C(NCCOc1ccccc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000029979737 556487916 /nfs/dbraw/zinc/48/79/16/556487916.db2.gz SFRIIQMDFZGJRR-UHFFFAOYSA-N 0 0 425.909 3.761 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 ZINC000029983396 556487992 /nfs/dbraw/zinc/48/79/92/556487992.db2.gz DHESFAPRIWOADX-HNNXBMFYSA-N 0 0 437.525 3.777 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(F)ccc3Br)CC2)c1 ZINC000029986185 556488177 /nfs/dbraw/zinc/48/81/77/556488177.db2.gz FEMPHQLWUKZBBA-UHFFFAOYSA-N 0 0 437.309 3.563 50 0 IHAARN COc1ccc(CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C2CC2)cc1 ZINC000015034768 556489378 /nfs/dbraw/zinc/48/93/78/556489378.db2.gz MLAYLGBKZNANFM-UHFFFAOYSA-N 0 0 438.549 3.708 50 0 IHAARN COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1OC ZINC000013149512 556491356 /nfs/dbraw/zinc/49/13/56/556491356.db2.gz MYNKVMWAKBPEJY-DVGBGDLNSA-N 0 0 438.505 3.570 50 0 IHAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000030220224 556491697 /nfs/dbraw/zinc/49/16/97/556491697.db2.gz CIMKWUNYIUPVJC-DNQXCXABSA-N 0 0 442.563 3.943 50 0 IHAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc(Cn2ccnc2)cc1 ZINC000030218576 556491710 /nfs/dbraw/zinc/49/17/10/556491710.db2.gz MUDJGNHLOUKUNH-UHFFFAOYSA-N 0 0 437.550 3.561 50 0 IHAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccccc3SC)C2)CC1 ZINC000015064888 556492123 /nfs/dbraw/zinc/49/21/23/556492123.db2.gz RBTJDKFDMKMRGQ-LJQANCHMSA-N 0 0 425.598 3.844 50 0 IHAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(CN(C)C)o2)C1 ZINC000015065718 556492790 /nfs/dbraw/zinc/49/27/90/556492790.db2.gz IEDKTYWFEHAQCS-XMMPIXPASA-N 0 0 428.529 3.596 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N[C@H](c1ccco1)c1ccccc1 ZINC000015067427 556493436 /nfs/dbraw/zinc/49/34/36/556493436.db2.gz VWBLJBNISQWOKE-IZZNHLLZSA-N 0 0 446.503 3.886 50 0 IHAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N(C)Cc1ccsc1 ZINC000011061687 556493722 /nfs/dbraw/zinc/49/37/22/556493722.db2.gz CASOZBKBEJHEQI-UHFFFAOYSA-N 0 0 437.974 3.509 50 0 IHAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1cccc(-c3ccco3)c1)CC2 ZINC000015068046 556493831 /nfs/dbraw/zinc/49/38/31/556493831.db2.gz RIRWFFVGCOLPQF-IBGZPJMESA-N 0 0 434.496 3.539 50 0 IHAARN CCCc1noc(CCC(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 ZINC000030450597 556494799 /nfs/dbraw/zinc/49/47/99/556494799.db2.gz XCXRQKFLOFJBGH-UHFFFAOYSA-N 0 0 440.431 3.714 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000015070657 556495286 /nfs/dbraw/zinc/49/52/86/556495286.db2.gz MZKIXUIVJQJUNW-RRPNLBNLSA-N 0 0 443.547 3.968 50 0 IHAARN Cc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015072215 556496581 /nfs/dbraw/zinc/49/65/81/556496581.db2.gz BTZWDUNIPABVAZ-JOCHJYFZSA-N 0 0 434.584 3.958 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)N2CCOCC2)cc1 ZINC000030522240 556496654 /nfs/dbraw/zinc/49/66/54/556496654.db2.gz HZVICQUAESDHKG-DEOSSOPVSA-N 0 0 446.551 3.562 50 0 IHAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)no1 ZINC000015075858 556499072 /nfs/dbraw/zinc/49/90/72/556499072.db2.gz BXIMZRMSYMJDHF-LJQANCHMSA-N 0 0 432.908 3.957 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl ZINC000015077213 556499525 /nfs/dbraw/zinc/49/95/25/556499525.db2.gz PIJQHRVVZZTHBD-AWEZNQCLSA-N 0 0 430.936 3.832 50 0 IHAARN O=C(Cn1ncc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000030625014 556500133 /nfs/dbraw/zinc/50/01/33/556500133.db2.gz ITNSFBPQTOAONE-UHFFFAOYSA-N 0 0 449.514 3.625 50 0 IHAARN Cc1ccc(-c2csc3ncnc(N4CCN(c5ccnc(N(C)C)n5)CC4)c23)cc1 ZINC000072292437 556501159 /nfs/dbraw/zinc/50/11/59/556501159.db2.gz PKVMFHKFRCSQQK-UHFFFAOYSA-N 0 0 431.569 3.849 50 0 IHAARN COCCN(C(=O)c1ccc(C)s1)[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000072292789 556502353 /nfs/dbraw/zinc/50/23/53/556502353.db2.gz XHCMLMZYJGPAAY-MRXNPFEDSA-N 0 0 426.332 3.822 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]n2)cc1 ZINC000032879152 556502967 /nfs/dbraw/zinc/50/29/67/556502967.db2.gz LSBAZHYRIIATBJ-UHFFFAOYSA-N 0 0 432.402 3.994 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1F ZINC000015092249 556503220 /nfs/dbraw/zinc/50/32/20/556503220.db2.gz PQYRXOPWDAQGTM-IYBDPMFKSA-N 0 0 434.533 3.682 50 0 IHAARN C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1nnc2ccccn21 ZINC000015141189 556506115 /nfs/dbraw/zinc/50/61/15/556506115.db2.gz AZMWBHVRVUAKEP-JTQLQIEISA-N 0 0 435.797 3.516 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(O)c2)c(OC)cc1Cl ZINC000013494470 556508517 /nfs/dbraw/zinc/50/85/17/556508517.db2.gz 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Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1 ZINC000013552270 556515261 /nfs/dbraw/zinc/51/52/61/556515261.db2.gz FZVVRMSGANLRLY-UHFFFAOYSA-N 0 0 445.566 3.961 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000013556351 556516554 /nfs/dbraw/zinc/51/65/54/556516554.db2.gz XCSQWSYFZTXOMA-FQEVSTJZSA-N 0 0 436.395 3.996 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCC1 ZINC000013556902 556516806 /nfs/dbraw/zinc/51/68/06/556516806.db2.gz ZKDFEQXJJGTFOU-GFBHRSBTSA-N 0 0 443.613 3.625 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@H](C)O1 ZINC000015302652 556516883 /nfs/dbraw/zinc/51/68/83/556516883.db2.gz GEZXTIOQBJBJPO-CALCHBBNSA-N 0 0 428.554 3.616 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000015312838 556518560 /nfs/dbraw/zinc/51/85/60/556518560.db2.gz VQQHRGSYXFBYJV-HXUWFJFHSA-N 0 0 442.537 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000015316735 556518946 /nfs/dbraw/zinc/51/89/46/556518946.db2.gz SWZKKJQZTSQFPO-UHFFFAOYSA-N 0 0 426.494 3.528 50 0 IHAARN CC(=O)Nc1cccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 ZINC000003091961 556520003 /nfs/dbraw/zinc/52/00/03/556520003.db2.gz MHAOITVLCAZYAP-CQSZACIVSA-N 0 0 439.796 3.790 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)C2)cc1 ZINC000072298161 556521574 /nfs/dbraw/zinc/52/15/74/556521574.db2.gz XVVZVZIGFPCDAJ-FQEVSTJZSA-N 0 0 443.588 3.705 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000013571665 556522211 /nfs/dbraw/zinc/52/22/11/556522211.db2.gz PYGZMVITHVEOHU-DCPHZVHLSA-N 0 0 444.963 3.759 50 0 IHAARN CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@H]1c1ccccc1 ZINC000013572325 556522826 /nfs/dbraw/zinc/52/28/26/556522826.db2.gz KFOUIBDGPFVYRA-IBGZPJMESA-N 0 0 428.448 3.858 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl ZINC000072301181 556524405 /nfs/dbraw/zinc/52/44/05/556524405.db2.gz XLSUNJVNLSOYTB-UHFFFAOYSA-N 0 0 443.912 3.914 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000013576852 556526399 /nfs/dbraw/zinc/52/63/99/556526399.db2.gz ATTOXUAMESEZOQ-SCLBCKFNSA-N 0 0 448.441 3.974 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000015419410 556526896 /nfs/dbraw/zinc/52/68/96/556526896.db2.gz VTZBJSGAQBONEM-UHFFFAOYSA-N 0 0 437.338 3.552 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000015420408 556527265 /nfs/dbraw/zinc/52/72/65/556527265.db2.gz YVLHKBIMBGWNNU-UHFFFAOYSA-N 0 0 446.431 3.805 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000032096414 556528385 /nfs/dbraw/zinc/52/83/85/556528385.db2.gz XHZKHBPULXHWNG-QFIPXVFZSA-N 0 0 436.508 3.595 50 0 IHAARN CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O ZINC000013583206 556528708 /nfs/dbraw/zinc/52/87/08/556528708.db2.gz 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Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc(Br)cc2)c(C)c1 ZINC000015517054 556532582 /nfs/dbraw/zinc/53/25/82/556532582.db2.gz CMTIMMMVYQHPAD-UHFFFAOYSA-N 0 0 432.362 3.561 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1cccs1 ZINC000013608770 556533841 /nfs/dbraw/zinc/53/38/41/556533841.db2.gz OGVGPAOFGPGDKJ-IBGZPJMESA-N 0 0 433.411 3.819 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000032901525 556536763 /nfs/dbraw/zinc/53/67/63/556536763.db2.gz CBKATYDWOHSNHF-DRSNIGMVSA-N 0 0 446.544 3.601 50 0 IHAARN C[C@@H](OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 ZINC000032901666 556537122 /nfs/dbraw/zinc/53/71/22/556537122.db2.gz JEFHCAJZXTWUHG-BMIGLBTASA-N 0 0 430.873 3.892 50 0 IHAARN Cc1c(C)n(CC(C)C)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000013629792 556538843 /nfs/dbraw/zinc/53/88/43/556538843.db2.gz VTTQLRMRPKJBLW-UHFFFAOYSA-N 0 0 430.512 3.581 50 0 IHAARN O=C(CSc1nccc(C(F)(F)F)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032903200 556538976 /nfs/dbraw/zinc/53/89/76/556538976.db2.gz MDYTUXFFXLCJMZ-CYBMUJFWSA-N 0 0 425.432 3.722 50 0 IHAARN COC(=O)c1ccc(OC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 ZINC000015634461 556539323 /nfs/dbraw/zinc/53/93/23/556539323.db2.gz HBZSAYNJMVVKSX-UHFFFAOYSA-N 0 0 440.502 3.887 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(F)cc1C ZINC000032579589 556541473 /nfs/dbraw/zinc/54/14/73/556541473.db2.gz NKCVTDUHQPKAOG-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1C1CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013637491 556541561 /nfs/dbraw/zinc/54/15/61/556541561.db2.gz FVBQGUKBBOKVOR-INIZCTEOSA-N 0 0 443.916 3.623 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@@]3(O)C(F)(F)F)n2)cc1OC ZINC000013643307 556543035 /nfs/dbraw/zinc/54/30/35/556543035.db2.gz BTCVFJLNRPUZPY-OAHLLOKOSA-N 0 0 436.312 3.626 50 0 IHAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000032904964 556545358 /nfs/dbraw/zinc/54/53/58/556545358.db2.gz BOPJMFZGCGCWJE-UHFFFAOYSA-N 0 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556552185 /nfs/dbraw/zinc/55/21/85/556552185.db2.gz UVUXYYLXJVUTIU-CYBMUJFWSA-N 0 0 439.256 3.720 50 0 IHAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)C(=O)NCCCOC(C)C)CC1 ZINC000033115126 556554618 /nfs/dbraw/zinc/55/46/18/556554618.db2.gz ZZRRKJYJVFSCMA-IBGZPJMESA-N 0 0 440.588 3.600 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1Cl ZINC000033115329 556554945 /nfs/dbraw/zinc/55/49/45/556554945.db2.gz WWJIQNNMGVQEFP-SFHVURJKSA-N 0 0 448.972 3.776 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000015835761 556555323 /nfs/dbraw/zinc/55/53/23/556555323.db2.gz RHCDXODGICJOJV-UHFFFAOYSA-N 0 0 446.516 3.521 50 0 IHAARN CCCn1nc(SCC(=O)OCC)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839353 556556422 /nfs/dbraw/zinc/55/64/22/556556422.db2.gz COSBRQMMDHPKTL-QHCPKHFHSA-N 0 0 440.569 3.847 50 0 IHAARN C[C@@H](CNC(=O)CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O)c1ccccc1 ZINC000033250148 556557018 /nfs/dbraw/zinc/55/70/18/556557018.db2.gz GXSRTSBIGDEVAW-AWEZNQCLSA-N 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ZINC000016015090 556574468 /nfs/dbraw/zinc/57/44/68/556574468.db2.gz SDEZFJPLCKCJJP-WOJBJXKFSA-N 0 0 440.565 3.851 50 0 IHAARN O[C@@H]1CN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)C[C@@H]1O ZINC000072310957 556576953 /nfs/dbraw/zinc/57/69/53/556576953.db2.gz LJRDTPUXLKYGTI-GASCZTMLSA-N 0 0 433.986 3.668 50 0 IHAARN CCCn1c(=O)[nH]nc1SCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000016045614 556579529 /nfs/dbraw/zinc/57/95/29/556579529.db2.gz OVFXWNJTZOIWIB-MRXNPFEDSA-N 0 0 445.932 3.698 50 0 IHAARN CCOCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 ZINC000016046088 556579910 /nfs/dbraw/zinc/57/99/10/556579910.db2.gz HTOIVPQDCJTQNZ-UHFFFAOYSA-N 0 0 441.557 3.889 50 0 IHAARN Fc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccsc2)CC3)cc1 ZINC000034755743 556581944 /nfs/dbraw/zinc/58/19/44/556581944.db2.gz JDSBQFUTABAMQU-UHFFFAOYSA-N 0 0 426.517 3.864 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc21 ZINC000016090622 556582469 /nfs/dbraw/zinc/58/24/69/556582469.db2.gz JHDZLMUOXOCQBX-QGZVFWFLSA-N 0 0 444.578 3.664 50 0 IHAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)s1 ZINC000016097373 556582708 /nfs/dbraw/zinc/58/27/08/556582708.db2.gz VEVWJHBTESFJKK-BETUJISGSA-N 0 0 440.616 3.569 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000032964244 556586824 /nfs/dbraw/zinc/58/68/24/556586824.db2.gz DOPHQFTWPZPINK-OAHLLOKOSA-N 0 0 440.352 3.757 50 0 IHAARN COCCOC1CN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)C1 ZINC000072311639 556587424 /nfs/dbraw/zinc/58/74/24/556587424.db2.gz VADQVFXUKFOANG-UHFFFAOYSA-N 0 0 428.558 3.845 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC(OCCCOc3ccccc3)C2)CC1 ZINC000072311804 556590988 /nfs/dbraw/zinc/59/09/88/556590988.db2.gz KAARPEMLAMABCN-OUKQBFOZSA-N 0 0 448.563 3.635 50 0 IHAARN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 ZINC000032912925 556593729 /nfs/dbraw/zinc/59/37/29/556593729.db2.gz GPNVLMHZWLVXSG-UHFFFAOYSA-N 0 0 429.524 3.906 50 0 IHAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@@H]1c1ccccc1 ZINC000036358281 556597271 /nfs/dbraw/zinc/59/72/71/556597271.db2.gz ZBOFSXWQFDNKRP-RPWUZVMVSA-N 0 0 437.503 3.876 50 0 IHAARN O=C(c1ccc(Br)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000032983193 556601689 /nfs/dbraw/zinc/60/16/89/556601689.db2.gz NXVOOADWAGOXOU-GFCCVEGCSA-N 0 0 448.342 3.569 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000016347377 556601842 /nfs/dbraw/zinc/60/18/42/556601842.db2.gz HIKHBCCBKULKBZ-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN CCCCOc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC ZINC000016382510 556603848 /nfs/dbraw/zinc/60/38/48/556603848.db2.gz KBAACFLEFCLFFN-QGZVFWFLSA-N 0 0 441.322 3.828 50 0 IHAARN COc1cccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)c1O ZINC000032914479 556607760 /nfs/dbraw/zinc/60/77/60/556607760.db2.gz WQAAODKUZOHEAZ-AWEZNQCLSA-N 0 0 442.903 3.623 50 0 IHAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 ZINC000016448167 556608436 /nfs/dbraw/zinc/60/84/36/556608436.db2.gz LLFQKXAJPBRBJI-UHFFFAOYSA-N 0 0 429.395 3.727 50 0 IHAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OCC)cc2Br)NC(=O)N1 ZINC000016448767 556608934 /nfs/dbraw/zinc/60/89/34/556608934.db2.gz JWCQQSQMRKOZNI-KRWDZBQOSA-N 0 0 441.322 3.828 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC000032988571 556608974 /nfs/dbraw/zinc/60/89/74/556608974.db2.gz DYQTYYRRVAQHKM-QFIPXVFZSA-N 0 0 427.976 3.920 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000016475130 556610169 /nfs/dbraw/zinc/61/01/69/556610169.db2.gz NFEOECIMKHWQDR-UHFFFAOYSA-N 0 0 435.549 3.758 50 0 IHAARN CCOc1ccccc1NC(=O)NCc1cc(=O)n2nc(-c3ccccc3C)sc2n1 ZINC000032995959 556611336 /nfs/dbraw/zinc/61/13/36/556611336.db2.gz AECCUZIKDYFIGT-UHFFFAOYSA-N 0 0 435.509 3.847 50 0 IHAARN CC(C)NC(=O)Nc1ccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 ZINC000032996264 556611425 /nfs/dbraw/zinc/61/14/25/556611425.db2.gz HOBHEZAYDMZDDE-UHFFFAOYSA-N 0 0 441.875 3.846 50 0 IHAARN CC1(C)NC(=O)N(CCCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)C1=O ZINC000032915340 556612053 /nfs/dbraw/zinc/61/20/53/556612053.db2.gz LLRAAKWMIFFPFT-UHFFFAOYSA-N 0 0 439.516 3.886 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000038486562 556612803 /nfs/dbraw/zinc/61/28/03/556612803.db2.gz UCFPURVUGQPALT-UHFFFAOYSA-N 0 0 437.452 3.689 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)cnc21 ZINC000032915823 556613216 /nfs/dbraw/zinc/61/32/16/556613216.db2.gz BLZOMTKXPIYASC-KRWDZBQOSA-N 0 0 447.417 3.902 50 0 IHAARN COC(OC)c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000038534076 556613447 /nfs/dbraw/zinc/61/34/47/556613447.db2.gz RATUHWCDWMSBMV-GFCCVEGCSA-N 0 0 431.327 3.771 50 0 IHAARN CC(=O)Cc1nsc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C(C)C)n1 ZINC000016650826 556620604 /nfs/dbraw/zinc/62/06/04/556620604.db2.gz JBDXJASRXOYIRG-UHFFFAOYSA-N 0 0 438.435 3.645 50 0 IHAARN CCOC(=O)N1CCN(Cn2nc(-c3cccc(F)c3)n(-c3ccccc3)c2=S)CC1 ZINC000016682951 556624840 /nfs/dbraw/zinc/62/48/40/556624840.db2.gz SAUVJTKZVIITHS-UHFFFAOYSA-N 0 0 441.532 3.941 50 0 IHAARN NC(=O)[C@H]1CCCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016694638 556628257 /nfs/dbraw/zinc/62/82/57/556628257.db2.gz KMVNPNULZZJUFA-YCRPNKLZSA-N 0 0 431.330 3.754 50 0 IHAARN O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1nc(-c2cccc(Cl)c2)no1 ZINC000016695604 556628818 /nfs/dbraw/zinc/62/88/18/556628818.db2.gz HTCDGUUACSKCOV-UHFFFAOYSA-N 0 0 441.871 3.603 50 0 IHAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1OC ZINC000016728767 556631000 /nfs/dbraw/zinc/63/10/00/556631000.db2.gz KRIROSWQUOZSSU-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN NC(=O)c1c(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000016733677 556632470 /nfs/dbraw/zinc/63/24/70/556632470.db2.gz XCPZNWYDZTZOGM-HXUWFJFHSA-N 0 0 439.562 3.838 50 0 IHAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OC ZINC000016736131 556633351 /nfs/dbraw/zinc/63/33/51/556633351.db2.gz IFSSBSOKULTJRG-RGEXLXHISA-N 0 0 425.510 3.926 50 0 IHAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(SC)cc4)c(=O)n3n2)cc1OC ZINC000016742155 556636096 /nfs/dbraw/zinc/63/60/96/556636096.db2.gz IHVVVNIYHGHQME-UZYLVVNOSA-N 0 0 437.546 3.608 50 0 IHAARN CCc1nn2c(nnc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391638 556637962 /nfs/dbraw/zinc/63/79/62/556637962.db2.gz ZLHCFCTVLFKQNS-UHFFFAOYSA-N 0 0 429.455 3.865 50 0 IHAARN CCCCOc1cccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752818 556638075 /nfs/dbraw/zinc/63/80/75/556638075.db2.gz UEOPAZRXPIIFIG-HXUWFJFHSA-N 0 0 431.554 3.704 50 0 IHAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC ZINC000016753568 556638435 /nfs/dbraw/zinc/63/84/35/556638435.db2.gz FYOPBWZEMZHMGB-JOCHJYFZSA-N 0 0 437.492 3.908 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000016753369 556638560 /nfs/dbraw/zinc/63/85/60/556638560.db2.gz BKSAUHVKSCNPOB-HSZRJFAPSA-N 0 0 427.456 3.910 50 0 IHAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)N(C)c4ccccc4)c3n2)c1 ZINC000040484904 556644055 /nfs/dbraw/zinc/64/40/55/556644055.db2.gz UMISIRBMLVKKSF-UHFFFAOYSA-N 0 0 438.487 3.988 50 0 IHAARN CCCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O ZINC000016824885 556644995 /nfs/dbraw/zinc/64/49/95/556644995.db2.gz BYRSNTXTOVPUEZ-ZDUSSCGKSA-N 0 0 445.422 3.592 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2)c1=O ZINC000037557650 556645474 /nfs/dbraw/zinc/64/54/74/556645474.db2.gz HAPBZPTUZDIICK-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@@](=O)C3)c1C ZINC000011726348 556648777 /nfs/dbraw/zinc/64/87/77/556648777.db2.gz RDELWMMOXKHEOZ-HKBQPEDESA-N 0 0 433.489 3.610 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)c(OC)c1 ZINC000011737910 556649807 /nfs/dbraw/zinc/64/98/07/556649807.db2.gz GAYQDJZKFSZURF-UHFFFAOYSA-N 0 0 442.472 3.616 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)cc1OC ZINC000038487870 556650643 /nfs/dbraw/zinc/65/06/43/556650643.db2.gz ZCPKVSYNPIUHMP-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751564 556650971 /nfs/dbraw/zinc/65/09/71/556650971.db2.gz KEAFODRXIJHECG-ORAYPTAESA-N 0 0 425.510 3.851 50 0 IHAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)NCc2ccccc2Cl)cc1 ZINC000011758460 556652981 /nfs/dbraw/zinc/65/29/81/556652981.db2.gz WKZJNJKBMWWAAL-UHFFFAOYSA-N 0 0 438.944 3.640 50 0 IHAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)cc1OC ZINC000038652025 556653597 /nfs/dbraw/zinc/65/35/97/556653597.db2.gz SFMGHHVZBVMXEF-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000011762238 556654480 /nfs/dbraw/zinc/65/44/80/556654480.db2.gz QNVZIBZJHKXIHE-OAHLLOKOSA-N 0 0 429.373 3.893 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc2sc(NC(C)=O)nc21 ZINC000033007945 556656835 /nfs/dbraw/zinc/65/68/35/556656835.db2.gz PVGVFFUJTWFUFF-UHFFFAOYSA-N 0 0 441.918 3.726 50 0 IHAARN COc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c(OC)c1 ZINC000033013788 556663454 /nfs/dbraw/zinc/66/34/54/556663454.db2.gz DJBHXJNUSRCXGQ-UHFFFAOYSA-N 0 0 448.479 3.865 50 0 IHAARN CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 ZINC000017098850 556663706 /nfs/dbraw/zinc/66/37/06/556663706.db2.gz GNOMJRVGTQJTGA-UHFFFAOYSA-N 0 0 434.496 3.721 50 0 IHAARN Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000011866141 556665668 /nfs/dbraw/zinc/66/56/68/556665668.db2.gz BNVOTTFHVSKCRW-UHFFFAOYSA-N 0 0 449.458 3.770 50 0 IHAARN COc1ccc(CCc2ccc(NC(=O)[C@H]3CS(=O)(=O)c4ccccc4C3=O)cc2)cc1 ZINC000044125977 556666205 /nfs/dbraw/zinc/66/62/05/556666205.db2.gz NDJBQYBQCLKPTC-QFIPXVFZSA-N 0 0 449.528 3.705 50 0 IHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000017103127 556667275 /nfs/dbraw/zinc/66/72/75/556667275.db2.gz XOEZGAXDDMLUHT-GASCZTMLSA-N 0 0 439.339 3.851 50 0 IHAARN Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011871942 556667715 /nfs/dbraw/zinc/66/77/15/556667715.db2.gz XYUOEVWDCKSEML-LBPRGKRZSA-N 0 0 434.370 3.589 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000044803326 556667842 /nfs/dbraw/zinc/66/78/42/556667842.db2.gz HRTYQLUHQRTDLT-QGZVFWFLSA-N 0 0 437.565 3.674 50 0 IHAARN Cc1c(NC(=O)CSc2cc(-c3ccccc3)ncn2)c(=O)n(-c2ccccc2)n1C ZINC000011903083 556669716 /nfs/dbraw/zinc/66/97/16/556669716.db2.gz RKKZQJXMGFOAGW-UHFFFAOYSA-N 0 0 431.521 3.672 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000011917064 556674425 /nfs/dbraw/zinc/67/44/25/556674425.db2.gz MTCQSUAYAMMYKI-GOSISDBHSA-N 0 0 428.485 3.619 50 0 IHAARN COc1cc(C(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1OC(F)F ZINC000011918079 556674750 /nfs/dbraw/zinc/67/47/50/556674750.db2.gz NKUQATZOKHNLAZ-UHFFFAOYSA-N 0 0 448.422 3.707 50 0 IHAARN CCCCSc1nnc(NC(=O)c2nn(-c3ccc(OCC)cc3)ccc2=O)s1 ZINC000011917034 556675329 /nfs/dbraw/zinc/67/53/29/556675329.db2.gz BYPCSKUHAILWNE-UHFFFAOYSA-N 0 0 431.543 3.627 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000011923434 556675615 /nfs/dbraw/zinc/67/56/15/556675615.db2.gz GWBZJKDSXUPPNY-UHFFFAOYSA-N 0 0 438.534 3.560 50 0 IHAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325857 556680360 /nfs/dbraw/zinc/68/03/60/556680360.db2.gz JCYHPKATOYDELK-IBGZPJMESA-N 0 0 439.537 3.787 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 ZINC000017988331 556681161 /nfs/dbraw/zinc/68/11/61/556681161.db2.gz BOFQNRMVJLPPBU-IPHXSNPTSA-N 0 0 435.476 3.661 50 0 IHAARN CC(C)(C)c1ccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 ZINC000044921804 556682138 /nfs/dbraw/zinc/68/21/38/556682138.db2.gz VBWPMBAHXZXZDX-UHFFFAOYSA-N 0 0 445.567 3.506 50 0 IHAARN COc1ccccc1CCNc1ncnc2sc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(C)c21 ZINC000018061620 556682479 /nfs/dbraw/zinc/68/24/79/556682479.db2.gz GHXSOQZBZMNKDO-GASCZTMLSA-N 0 0 440.569 3.912 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000018250521 556688360 /nfs/dbraw/zinc/68/83/60/556688360.db2.gz PCFZJCAHORDDIY-FQEVSTJZSA-N 0 0 448.350 3.846 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 ZINC000046005221 556689372 /nfs/dbraw/zinc/68/93/72/556689372.db2.gz YJIYCKVWMGJXLJ-UHFFFAOYSA-N 0 0 430.464 3.654 50 0 IHAARN COc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)c(OC)c1 ZINC000033023068 556691364 /nfs/dbraw/zinc/69/13/64/556691364.db2.gz IDWNTAUBAVHQFT-UHFFFAOYSA-N 0 0 438.509 3.615 50 0 IHAARN CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000252553198 556691892 /nfs/dbraw/zinc/69/18/92/556691892.db2.gz VHODNOAERZQJJW-WIYYLYMNSA-N 0 0 433.512 3.567 50 0 IHAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252672553 556693818 /nfs/dbraw/zinc/69/38/18/556693818.db2.gz QFBODVHEBPEOMQ-HUUCEWRRSA-N 0 0 426.888 3.585 50 0 IHAARN NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000252679554 556694154 /nfs/dbraw/zinc/69/41/54/556694154.db2.gz ODRWANFPVPQWFE-SQWLQELKSA-N 0 0 441.247 3.914 50 0 IHAARN O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@@H](O)COCc1cccs1 ZINC000072057689 556695591 /nfs/dbraw/zinc/69/55/91/556695591.db2.gz SHNYKQPLJDFPMC-IRLDBZIGSA-N 0 0 436.533 3.831 50 0 IHAARN CC(=O)Nc1cc(NC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C ZINC000072314447 556701133 /nfs/dbraw/zinc/70/11/33/556701133.db2.gz FIRCOTVNRJEDPO-KDOFPFPSSA-N 0 0 434.537 3.835 50 0 IHAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)c3cccs3)ccc2n1C ZINC000033025974 556702033 /nfs/dbraw/zinc/70/20/33/556702033.db2.gz BVVHVTJAZAHZQX-UHFFFAOYSA-N 0 0 434.521 3.868 50 0 IHAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccc(Cl)cc1)CN([C@@H]1CCS(=O)(=O)C1)CO3 ZINC000013692333 556711958 /nfs/dbraw/zinc/71/19/58/556711958.db2.gz JPUIZXQKDRTTFJ-MRXNPFEDSA-N 0 0 445.924 3.761 50 0 IHAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(SC)cc3)cc2)s1 ZINC000033032170 556712515 /nfs/dbraw/zinc/71/25/15/556712515.db2.gz NXPGSBICPNNJHL-UHFFFAOYSA-N 0 0 428.539 3.589 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCC1)c1ccc(-c2cccs2)nc1N1CCCC1 ZINC000019228554 556717431 /nfs/dbraw/zinc/71/74/31/556717431.db2.gz RQLDLNDLHYBUAT-UHFFFAOYSA-N 0 0 440.613 3.785 50 0 IHAARN O=c1oc2c(ccc3c2CN(CCCN2CCOCC2)CO3)cc1-c1ccc(Cl)cc1 ZINC000013735135 556721949 /nfs/dbraw/zinc/72/19/49/556721949.db2.gz MHFTZUFYAKHFLY-UHFFFAOYSA-N 0 0 440.927 3.988 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)n[nH]1 ZINC000072328296 556724979 /nfs/dbraw/zinc/72/49/79/556724979.db2.gz VZCBEPPJZMWZIE-UHFFFAOYSA-N 0 0 431.568 3.525 50 0 IHAARN O=C(COC(=O)c1ccccc1I)Nc1cc(F)ccc1Cl ZINC000072330000 556727780 /nfs/dbraw/zinc/72/77/80/556727780.db2.gz MIFYLLILVGDWIB-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN Nc1nc(CN2CCN(c3ccccc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000054147216 556729250 /nfs/dbraw/zinc/72/92/50/556729250.db2.gz REUFJRDNXOYLJO-UHFFFAOYSA-N 0 0 429.450 3.538 50 0 IHAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 ZINC000019296757 556734572 /nfs/dbraw/zinc/73/45/72/556734572.db2.gz USSPFKVDEFFJCK-DHLKQENFSA-N 0 0 445.544 3.656 50 0 IHAARN Cc1cccc(C(=O)NC[C@H](CO)Cc2ccc(Cl)cc2)c1I ZINC000078995280 556737025 /nfs/dbraw/zinc/73/70/25/556737025.db2.gz UMYGCKQEYDACOB-CQSZACIVSA-N 0 0 443.712 3.834 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000143604106 556739949 /nfs/dbraw/zinc/73/99/49/556739949.db2.gz MURCILWVRZTRIQ-YTFSRNRJSA-N 0 0 448.450 3.894 50 0 IHAARN CCOC(=O)[C@H](C(C)=O)C(c1ccc(OCCC(C)C)cc1)[C@@H](C(C)=O)C(=O)OCC ZINC000005220302 556742165 /nfs/dbraw/zinc/74/21/65/556742165.db2.gz ACWPHFJHVAZJCZ-NHCUHLMSSA-N 0 0 434.529 3.732 50 0 biogenic IHAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000033048874 556745553 /nfs/dbraw/zinc/74/55/53/556745553.db2.gz GHSQEVUKQDRBAQ-UHFFFAOYSA-N 0 0 442.494 3.551 50 0 IHAARN Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(C)(C)C)c1 ZINC000019367196 556746300 /nfs/dbraw/zinc/74/63/00/556746300.db2.gz FAXRMUHAIIMNQH-NRFANRHFSA-N 0 0 440.584 3.579 50 0 IHAARN COc1ccc2c(c1)c(C(=O)[C@@H](C)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C ZINC000019372340 556748788 /nfs/dbraw/zinc/74/87/88/556748788.db2.gz UJSTUEYFNLCBGU-GOSISDBHSA-N 0 0 449.551 3.613 50 0 IHAARN C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058016237 556754005 /nfs/dbraw/zinc/75/40/05/556754005.db2.gz OZLPCAUPILKOBY-AWEZNQCLSA-N 0 0 431.539 3.710 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000058027521 556754737 /nfs/dbraw/zinc/75/47/37/556754737.db2.gz FWUZAUVTECNSJM-SQGPQFPESA-N 0 0 429.442 3.873 50 0 IHAARN Cc1nc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)sc1Cc1ccc2c(c1)OCO2 ZINC000058029243 556754838 /nfs/dbraw/zinc/75/48/38/556754838.db2.gz QAQHQXDDRYAMQF-OAHLLOKOSA-N 0 0 429.542 3.747 50 0 IHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cn2cncn2)cc1 ZINC000011163526 556759707 /nfs/dbraw/zinc/75/97/07/556759707.db2.gz ZLKPGNKPQMODHF-UHFFFAOYSA-N 0 0 430.537 3.594 50 0 IHAARN CC(=O)Nc1sc2c(c1[C@H](c1ccccc1Cl)N1CCN(CCO)CC1)CCCC2 ZINC000096300455 556760055 /nfs/dbraw/zinc/76/00/55/556760055.db2.gz RPYVUYHYRPFSGD-QFIPXVFZSA-N 0 0 448.032 3.938 50 0 IHAARN C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000058135806 556760600 /nfs/dbraw/zinc/76/06/00/556760600.db2.gz OJLQYPYTFMFMNS-JTQLQIEISA-N 0 0 426.903 3.899 50 0 IHAARN O=C(c1ccc(F)cc1)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000058150234 556762035 /nfs/dbraw/zinc/76/20/35/556762035.db2.gz PEDMDBCQTVWJKR-OYDLWJJNSA-N 0 0 435.543 3.948 50 0 IHAARN COc1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3)nc2N2CCOCC2)cc1 ZINC000062006915 556764866 /nfs/dbraw/zinc/76/48/66/556764866.db2.gz ZESKQWSYMKOPNY-UHFFFAOYSA-N 0 0 426.904 3.687 50 0 IHAARN O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000058166386 556766778 /nfs/dbraw/zinc/76/67/78/556766778.db2.gz QBOTXLMZXVJHLF-UHFFFAOYSA-N 0 0 445.504 3.516 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC(COc2nc3ccccc3s2)CC1 ZINC000206599808 556770498 /nfs/dbraw/zinc/77/04/98/556770498.db2.gz QKNAZOGPEMEHGF-UHFFFAOYSA-N 0 0 448.548 3.714 50 0 IHAARN CCNC(=O)c1cccc(C)c1OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000058263945 556776018 /nfs/dbraw/zinc/77/60/18/556776018.db2.gz LZYDVGMVLYEIHX-UHFFFAOYSA-N 0 0 427.478 3.531 50 0 IHAARN C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@H](C)O1 ZINC000058305287 556778878 /nfs/dbraw/zinc/77/88/78/556778878.db2.gz QVOZTSZOTHUJIZ-ROUUACIJSA-N 0 0 438.528 3.754 50 0 IHAARN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000058312352 556780102 /nfs/dbraw/zinc/78/01/02/556780102.db2.gz WCDUNZXTKJKEQM-GJZGRUSLSA-N 0 0 425.367 3.737 50 0 IHAARN O=C(Cn1ccc2cc(NC(=O)N3CCC[C@H]3Cc3ccccc3)ccc21)N1CCOCC1 ZINC000058327084 556781056 /nfs/dbraw/zinc/78/10/56/556781056.db2.gz MAOKIWLPJIKYSQ-QHCPKHFHSA-N 0 0 446.551 3.739 50 0 IHAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000058354902 556782395 /nfs/dbraw/zinc/78/23/95/556782395.db2.gz DEBKBUIFOPSJGZ-HTAPYJJXSA-N 0 0 435.568 3.666 50 0 IHAARN O=S(=O)(NCCc1cc(F)cc2c1OCOC2)c1ccc(Cl)cc1C(F)(F)F ZINC000058357554 556782950 /nfs/dbraw/zinc/78/29/50/556782950.db2.gz BEMUGVNEFISMIH-UHFFFAOYSA-N 0 0 439.814 3.885 50 0 IHAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(-n3nc(C)cc3C)c(F)c1)C[C@H]2O ZINC000058370687 556783818 /nfs/dbraw/zinc/78/38/18/556783818.db2.gz WPBDDQBVZVVJEX-LJQANCHMSA-N 0 0 440.475 3.727 50 0 IHAARN O=C(Cn1cc(Br)ccc1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058377830 556784037 /nfs/dbraw/zinc/78/40/37/556784037.db2.gz DTWVLVKAPFOWLK-UHFFFAOYSA-N 0 0 432.343 3.627 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000058391772 556784886 /nfs/dbraw/zinc/78/48/86/556784886.db2.gz GUTKDPVIKGLPGO-UHFFFAOYSA-N 0 0 441.987 3.675 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C)N1CCOCC1 ZINC000058405251 556785775 /nfs/dbraw/zinc/78/57/75/556785775.db2.gz GGHXKRDKCXAJAU-HHJKRLRDSA-N 0 0 444.620 3.736 50 0 IHAARN CCOc1c(Br)cc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1OC ZINC000058441497 556789269 /nfs/dbraw/zinc/78/92/69/556789269.db2.gz CCXFNVUWXGKKTN-UHFFFAOYSA-N 0 0 445.317 3.943 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000059332383 556797956 /nfs/dbraw/zinc/79/79/56/556797956.db2.gz ZLCMVCXXCTVBMP-UHFFFAOYSA-N 0 0 435.524 3.633 50 0 IHAARN COc1cccc(NC2=NC(=O)SC2=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 ZINC000072401505 556800704 /nfs/dbraw/zinc/80/07/04/556800704.db2.gz PGPRIQRGRSAQGR-PACYTGELSA-N 0 0 446.554 3.586 50 0 IHAARN COCCN(CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)Cc1ccco1 ZINC000033052729 556803141 /nfs/dbraw/zinc/80/31/41/556803141.db2.gz CPKYYQQQUCIACP-UHFFFAOYSA-N 0 0 430.508 3.768 50 0 IHAARN CC1CCN(c2ccc(C(=O)N3CCCC3)cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000033053269 556803936 /nfs/dbraw/zinc/80/39/36/556803936.db2.gz VBTAWMQGTKZYMM-UHFFFAOYSA-N 0 0 433.618 3.580 50 0 IHAARN COC(=O)CCCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000060126520 556806926 /nfs/dbraw/zinc/80/69/26/556806926.db2.gz ZRSHACJOUGZTSV-UHFFFAOYSA-N 0 0 437.340 3.983 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)Nc1ccc(OC(F)F)cc1 ZINC000003271862 556807907 /nfs/dbraw/zinc/80/79/07/556807907.db2.gz CZUHXDKEWPQZQU-UHFFFAOYSA-N 0 0 447.175 3.688 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1cccnc1OCC)C[C@@H](C)CC2 ZINC000003343206 556813222 /nfs/dbraw/zinc/81/32/22/556813222.db2.gz DKGLZFHWFMHDIA-ZDUSSCGKSA-N 0 0 446.525 3.639 50 0 IHAARN Cc1ccc(CN2C(=O)N[C@@]3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)C2=O)cc1 ZINC000097943852 556814599 /nfs/dbraw/zinc/81/45/99/556814599.db2.gz DYHBXTPPPRCQAL-JOCHJYFZSA-N 0 0 429.879 3.514 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003441303 556815700 /nfs/dbraw/zinc/81/57/00/556815700.db2.gz JEZRXLJFOATXGE-UHFFFAOYSA-N 0 0 449.572 3.878 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003452235 556816103 /nfs/dbraw/zinc/81/61/03/556816103.db2.gz NWSZNKUWVJCENZ-UHFFFAOYSA-N 0 0 442.504 3.835 50 0 IHAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000033059948 556816552 /nfs/dbraw/zinc/81/65/52/556816552.db2.gz NYSVCZUVKLKKMX-UHFFFAOYSA-N 0 0 434.521 3.895 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1OC ZINC000033067997 556819828 /nfs/dbraw/zinc/81/98/28/556819828.db2.gz SHFGQBVHCTYFNZ-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN O=C(COc1ccccc1)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033068224 556821487 /nfs/dbraw/zinc/82/14/87/556821487.db2.gz CQVCBIQMRLOAIW-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)c1 ZINC000064591547 556825238 /nfs/dbraw/zinc/82/52/38/556825238.db2.gz RDNMPDSDASWYPI-IBGZPJMESA-N 0 0 429.524 3.697 50 0 IHAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@H]3c3cccc(F)c3)ccc21 ZINC000064983994 556829942 /nfs/dbraw/zinc/82/99/42/556829942.db2.gz SCISAVYXRHDVBT-FQEVSTJZSA-N 0 0 432.517 3.877 50 0 IHAARN O=C(NCc1cccnc1)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064959017 556829978 /nfs/dbraw/zinc/82/99/78/556829978.db2.gz CMJGLEKECADWAM-SFHVURJKSA-N 0 0 446.942 3.978 50 0 IHAARN CCOCCCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002394 556830792 /nfs/dbraw/zinc/83/07/92/556830792.db2.gz WWYSIWTXKKRZSG-UHFFFAOYSA-N 0 0 436.531 3.857 50 0 IHAARN O=C(NCc1ccccc1)c1ccc2ccnc(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000065002574 556830942 /nfs/dbraw/zinc/83/09/42/556830942.db2.gz REGXESHTWWQXAO-UHFFFAOYSA-N 0 0 440.503 3.720 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 ZINC000019617838 556831675 /nfs/dbraw/zinc/83/16/75/556831675.db2.gz OZUCWZPKJDOKAA-NRFANRHFSA-N 0 0 439.947 3.901 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(OC)c1 ZINC000019633846 556833757 /nfs/dbraw/zinc/83/37/57/556833757.db2.gz IUQNJZXAEXSRNN-UHFFFAOYSA-N 0 0 441.509 3.826 50 0 IHAARN c1ccc(N2CCN(Cc3nnc4sc(-c5ccc6ccccc6n5)nn34)CC2)cc1 ZINC000065362829 556834602 /nfs/dbraw/zinc/83/46/02/556834602.db2.gz YRCFPEUFGLZPSL-UHFFFAOYSA-N 0 0 427.537 3.723 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncn2)n1 ZINC000065363684 556835098 /nfs/dbraw/zinc/83/50/98/556835098.db2.gz XVUIDJDXUBGGFE-UHFFFAOYSA-N 0 0 438.535 3.909 50 0 IHAARN COc1cccc(OC)c1OC[C@@H](O)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000062581464 556837968 /nfs/dbraw/zinc/83/79/68/556837968.db2.gz OSQPAEBJFQWDPV-IBGZPJMESA-N 0 0 445.556 3.716 50 0 IHAARN O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997787 556838605 /nfs/dbraw/zinc/83/86/05/556838605.db2.gz GBWRSGVOFGFFCP-UHFFFAOYSA-N 0 0 447.507 3.709 50 0 IHAARN Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc21 ZINC000022997341 556839554 /nfs/dbraw/zinc/83/95/54/556839554.db2.gz KVZRNLPZPCBXRG-UHFFFAOYSA-N 0 0 425.554 3.739 50 0 IHAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCCCN1CCOCC1 ZINC000019646531 556840461 /nfs/dbraw/zinc/84/04/61/556840461.db2.gz XGRULHGJUMCWCC-UHFFFAOYSA-N 0 0 447.626 3.524 50 0 IHAARN O=C(CSc1ccccc1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998327 556840802 /nfs/dbraw/zinc/84/08/02/556840802.db2.gz GVRBUJMKTHFHIP-UHFFFAOYSA-N 0 0 431.558 3.893 50 0 IHAARN COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(Cl)s3)nc2c1 ZINC000022998358 556840831 /nfs/dbraw/zinc/84/08/31/556840831.db2.gz LXTAKVFPLUNCFL-UHFFFAOYSA-N 0 0 437.974 3.999 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000096786939 556842788 /nfs/dbraw/zinc/84/27/88/556842788.db2.gz VZAFSPQRRKUHIT-ZLNRFVROSA-N 0 0 430.460 3.760 50 0 IHAARN Cc1ccc(C)c(-n2c(SCC(=O)N3CCNC3=O)nnc2-c2ccccc2Cl)c1 ZINC000008746863 556845333 /nfs/dbraw/zinc/84/53/33/556845333.db2.gz ZSTMHSHZBKEYSV-UHFFFAOYSA-N 0 0 441.944 3.848 50 0 IHAARN Cc1nc2c(cc1C(=O)Nc1cccc(Cl)c1)c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000067630687 556845383 /nfs/dbraw/zinc/84/53/83/556845383.db2.gz NRIHSGURTXMRGI-UHFFFAOYSA-N 0 0 434.883 3.542 50 0 IHAARN COc1ccc2[nH]cc(CCN3C(=O)N[C@@H](CCC(=O)Nc4cc(C)cc(C)c4)C3=O)c2c1 ZINC000008765189 556845578 /nfs/dbraw/zinc/84/55/78/556845578.db2.gz FTQSFYSYKAJJSV-QFIPXVFZSA-N 0 0 448.523 3.880 50 0 biogenic IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccccc3OC)C2=O)cc1 ZINC000068713340 556849527 /nfs/dbraw/zinc/84/95/27/556849527.db2.gz MLXIYRUCRGXVSH-SANMLTNESA-N 0 0 447.487 3.590 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000008891685 556851142 /nfs/dbraw/zinc/85/11/42/556851142.db2.gz VSULVROZGVVJBH-XMMPIXPASA-N 0 0 438.503 3.612 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COc3cccc(Cl)c3)C2=O)cc1 ZINC000097675922 556852357 /nfs/dbraw/zinc/85/23/57/556852357.db2.gz URKZVZJVZRCOOH-WOJGMQOQSA-N 0 0 446.912 3.580 50 0 IHAARN Cc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087817 556855487 /nfs/dbraw/zinc/85/54/87/556855487.db2.gz ZELZXEVEZCWFFS-UHFFFAOYSA-N 0 0 429.567 3.833 50 0 IHAARN COc1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000033088449 556856366 /nfs/dbraw/zinc/85/63/66/556856366.db2.gz HGMWJQGOGPNBIS-UHFFFAOYSA-N 0 0 433.346 3.673 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088555 556857834 /nfs/dbraw/zinc/85/78/34/556857834.db2.gz IRAZNCGOVUERQR-UHFFFAOYSA-N 0 0 433.371 3.853 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1 ZINC000033128576 556865771 /nfs/dbraw/zinc/86/57/71/556865771.db2.gz LXVVQDICPFNWSZ-UHFFFAOYSA-N 0 0 446.463 3.565 50 0 IHAARN C[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000033125035 556866297 /nfs/dbraw/zinc/86/62/97/556866297.db2.gz LVRYXOVTQRLOAI-LBPRGKRZSA-N 0 0 432.249 3.540 50 0 IHAARN c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(NC[C@H]2CCCO2)n1 ZINC000019707656 556867688 /nfs/dbraw/zinc/86/76/88/556867688.db2.gz USERLBRSKMLPFD-CQSZACIVSA-N 0 0 425.558 3.546 50 0 IHAARN c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(NC[C@@H]2CCCO2)n1 ZINC000019707658 556867800 /nfs/dbraw/zinc/86/78/00/556867800.db2.gz USERLBRSKMLPFD-AWEZNQCLSA-N 0 0 425.558 3.546 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1C ZINC000033129755 556868857 /nfs/dbraw/zinc/86/88/57/556868857.db2.gz IAPRWDRJJIUPFT-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129725 556868997 /nfs/dbraw/zinc/86/89/97/556868997.db2.gz VGOOEUHOKHHNID-UHFFFAOYSA-N 0 0 441.597 3.770 50 0 IHAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)cc2)c1 ZINC000019741054 556882539 /nfs/dbraw/zinc/88/25/39/556882539.db2.gz BBAJTTIPGWOYFE-FQEVSTJZSA-N 0 0 431.492 3.541 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(Cl)c2)c1N ZINC000033169940 556885164 /nfs/dbraw/zinc/88/51/64/556885164.db2.gz IDAQMBDMXJMPDL-UHFFFAOYSA-N 0 0 426.839 3.917 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)N3CCC[C@H](C)C3)CC2)c1C ZINC000033170139 556885557 /nfs/dbraw/zinc/88/55/57/556885557.db2.gz BPLPZDIZFOROQQ-SFHVURJKSA-N 0 0 439.629 3.771 50 0 IHAARN O=C(NCc1ccco1)C1CCN(c2nc3ccsc3c(=O)n2-c2ccccc2)CC1 ZINC000033175366 556886765 /nfs/dbraw/zinc/88/67/65/556886765.db2.gz WYLFIEPMGBQIHA-UHFFFAOYSA-N 0 0 434.521 3.573 50 0 IHAARN CCc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)cc2)no1 ZINC000033254450 556890525 /nfs/dbraw/zinc/89/05/25/556890525.db2.gz FFQIGYITWNGHTG-UHFFFAOYSA-N 0 0 434.496 3.799 50 0 IHAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 ZINC000016043064 556893170 /nfs/dbraw/zinc/89/31/70/556893170.db2.gz AVRNXAYFHJFLFS-ZSQFBXSQSA-N 0 0 438.568 3.688 50 0 biogenic IHAARN O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000019757135 556901457 /nfs/dbraw/zinc/90/14/57/556901457.db2.gz CMJWEJCUEKBDFQ-GOSISDBHSA-N 0 0 448.748 3.557 50 0 IHAARN COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 ZINC000019798070 556916452 /nfs/dbraw/zinc/91/64/52/556916452.db2.gz YAFVFQOVUCDTMT-PKTZIBPZSA-N 0 0 438.499 3.877 50 0 IHAARN CN1CCN(C(=O)CSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)CC1 ZINC000019831910 556927117 /nfs/dbraw/zinc/92/71/17/556927117.db2.gz PMZQSMQASADQHV-UHFFFAOYSA-N 0 0 444.557 3.554 50 0 IHAARN O=c1[nH]c2ccccc2nc1CS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000019855178 556931138 /nfs/dbraw/zinc/93/11/38/556931138.db2.gz IACLHRJABAXLSU-UHFFFAOYSA-N 0 0 429.295 3.813 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860317 556932684 /nfs/dbraw/zinc/93/26/84/556932684.db2.gz XCBVRNWMFMOAPO-CQSZACIVSA-N 0 0 428.888 3.799 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861043 556933633 /nfs/dbraw/zinc/93/36/33/556933633.db2.gz GMKBGRRATHASFX-CQSZACIVSA-N 0 0 428.888 3.799 50 0 IHAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(F)cc1)C3 ZINC000019890912 556939338 /nfs/dbraw/zinc/93/93/38/556939338.db2.gz QAPKMMVLUALRFL-UHFFFAOYSA-N 0 0 425.456 3.659 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000019898783 556941180 /nfs/dbraw/zinc/94/11/80/556941180.db2.gz QZJUZLSKTKHNNM-QFIPXVFZSA-N 0 0 445.475 3.700 50 0 IHAARN O=C1C[C@H](c2cccs2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000019899905 556941697 /nfs/dbraw/zinc/94/16/97/556941697.db2.gz QNGBYPTUMIAJPT-QGZVFWFLSA-N 0 0 448.548 3.502 50 0 IHAARN CC(C)(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O ZINC000019939440 556953297 /nfs/dbraw/zinc/95/32/97/556953297.db2.gz PILDEHQGJXXUBZ-JOCHJYFZSA-N 0 0 431.458 3.939 50 0 IHAARN O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000020028543 556967518 /nfs/dbraw/zinc/96/75/18/556967518.db2.gz NTFPFQQKVRWBEM-UHFFFAOYSA-N 0 0 429.446 3.641 50 0 IHAARN COc1cccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)c1 ZINC000020029361 556968378 /nfs/dbraw/zinc/96/83/78/556968378.db2.gz QFPYWXRMWJYFCC-UHFFFAOYSA-N 0 0 448.548 3.719 50 0 IHAARN Clc1ccc([C@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 ZINC000020101306 556980280 /nfs/dbraw/zinc/98/02/80/556980280.db2.gz HZTSHGGFLXVTNJ-NRFANRHFSA-N 0 0 429.915 3.828 50 0 IHAARN COc1cc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 ZINC000011238735 556980463 /nfs/dbraw/zinc/98/04/63/556980463.db2.gz ZKDKNEIGJLEHES-UHFFFAOYSA-N 0 0 444.487 3.772 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(F)c1 ZINC000020103586 556981344 /nfs/dbraw/zinc/98/13/44/556981344.db2.gz IHOHGZPJZCRVBS-NRFANRHFSA-N 0 0 429.455 3.996 50 0 IHAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1 ZINC000020103768 556981395 /nfs/dbraw/zinc/98/13/95/556981395.db2.gz AHIZIZVAACFYNM-UHFFFAOYSA-N 0 0 449.488 3.597 50 0 IHAARN Cc1cccc(C2=NC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)NC2=O)c1 ZINC000033267532 556981492 /nfs/dbraw/zinc/98/14/92/556981492.db2.gz AAVLCXHEUQCAHT-UHFFFAOYSA-N 0 0 430.430 3.957 50 0 IHAARN Cc1cc(S(=O)(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)ccc1F ZINC000097096258 556984368 /nfs/dbraw/zinc/98/43/68/556984368.db2.gz AVKWRXNIALDXJR-HNNXBMFYSA-N 0 0 426.473 3.775 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097125894 556991469 /nfs/dbraw/zinc/99/14/69/556991469.db2.gz BKFXPZLIUVVVQG-JOCHJYFZSA-N 0 0 438.959 3.704 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000097145726 556992263 /nfs/dbraw/zinc/99/22/63/556992263.db2.gz BGICGSOOTLLAKM-CQSZACIVSA-N 0 0 431.483 3.833 50 0 IHAARN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000023074908 556995354 /nfs/dbraw/zinc/99/53/54/556995354.db2.gz TWTDGGQRVALANW-JOCHJYFZSA-N 0 0 438.531 3.928 50 0 IHAARN COc1cc(CN2CCN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020209639 556998316 /nfs/dbraw/zinc/99/83/16/556998316.db2.gz YITPRGIYJDMQFV-FQEVSTJZSA-N 0 0 438.490 3.791 50 0 IHAARN O=C(Nc1nnc(SCc2ccccc2)s1)[C@H](c1ccccc1)N1CCOCC1 ZINC000020226822 557001088 /nfs/dbraw/zinc/00/10/88/557001088.db2.gz URJUJTAGGQBDOF-SFHVURJKSA-N 0 0 426.567 3.842 50 0 IHAARN O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)NC1CCCCC1 ZINC000023108753 557003643 /nfs/dbraw/zinc/00/36/43/557003643.db2.gz MURVVISCOFMSRU-UHFFFAOYSA-N 0 0 437.569 3.569 50 0 IHAARN COc1cc(Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc(OC)c1 ZINC000023109024 557003680 /nfs/dbraw/zinc/00/36/80/557003680.db2.gz JEIDQAOLNXUYDP-UHFFFAOYSA-N 0 0 438.509 3.779 50 0 IHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCCN1CCOCC1)C3=O ZINC000020308756 557006765 /nfs/dbraw/zinc/00/67/65/557006765.db2.gz OYPUXNZYARGQLL-HSZRJFAPSA-N 0 0 432.520 3.677 50 0 IHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCN1CCOCC1)C3=O ZINC000020308754 557006773 /nfs/dbraw/zinc/00/67/73/557006773.db2.gz OYPUXNZYARGQLL-QHCPKHFHSA-N 0 0 432.520 3.677 50 0 IHAARN CNc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000023125685 557007440 /nfs/dbraw/zinc/00/74/40/557007440.db2.gz WXJFEGNLQKEEID-UHFFFAOYSA-N 0 0 431.500 3.788 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000020357189 557011138 /nfs/dbraw/zinc/01/11/38/557011138.db2.gz MMNAGFSLCFAWTL-UHFFFAOYSA-N 0 0 433.508 3.583 50 0 IHAARN CCCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020421604 557015178 /nfs/dbraw/zinc/01/51/78/557015178.db2.gz VZKVWNCIMNCTLC-UHFFFAOYSA-N 0 0 430.570 3.655 50 0 IHAARN O=C(CNC(=O)NCc1ccccc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010698521 557019154 /nfs/dbraw/zinc/01/91/54/557019154.db2.gz VTQITTBAIYJVRG-JOCHJYFZSA-N 0 0 426.520 3.915 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)N1CCc3ccccc31)nnc2C ZINC000023137870 557019792 /nfs/dbraw/zinc/01/97/92/557019792.db2.gz FRQAKMMMMQINGR-UHFFFAOYSA-N 0 0 431.521 3.814 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCc1ccc2c(c1)OCO2 ZINC000023138220 557021427 /nfs/dbraw/zinc/02/14/27/557021427.db2.gz KLJZXEYOJHNJKL-UHFFFAOYSA-N 0 0 443.912 3.716 50 0 IHAARN COC(=O)c1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 ZINC000010738269 557022352 /nfs/dbraw/zinc/02/23/52/557022352.db2.gz RCYHJHCDMTUZCZ-UHFFFAOYSA-N 0 0 436.913 3.957 50 0 IHAARN COc1cc2ncn(CCCC(=O)N(C)Cc3cccc(Cl)c3)c(=O)c2cc1OC ZINC000010748705 557023913 /nfs/dbraw/zinc/02/39/13/557023913.db2.gz DCNIRFLTOVGLAR-UHFFFAOYSA-N 0 0 429.904 3.506 50 0 IHAARN CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000010751547 557024895 /nfs/dbraw/zinc/02/48/95/557024895.db2.gz ADXBNIDAHCMAKF-UHFFFAOYSA-N 0 0 444.597 3.902 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)cc(OCC)c1OCC ZINC000010751114 557024918 /nfs/dbraw/zinc/02/49/18/557024918.db2.gz VYMFWSLDQVEDSV-UHFFFAOYSA-N 0 0 431.485 3.995 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc(OCC)c1OCC ZINC000010751436 557024990 /nfs/dbraw/zinc/02/49/90/557024990.db2.gz JYVLUAAEWBSLMF-UHFFFAOYSA-N 0 0 447.484 3.695 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000072046899 557025015 /nfs/dbraw/zinc/02/50/15/557025015.db2.gz OIEOGNFCVSHFHM-ZRGWGRIASA-N 0 0 425.529 3.802 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000010782280 557027060 /nfs/dbraw/zinc/02/70/60/557027060.db2.gz XVFPAPXLFCGACP-UHFFFAOYSA-N 0 0 449.580 3.727 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(CC)c4)nnc3c2=O)cc1 ZINC000046047839 557028445 /nfs/dbraw/zinc/02/84/45/557028445.db2.gz QZQUBKPNDMBVMH-UHFFFAOYSA-N 0 0 449.536 3.572 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1 ZINC000046075256 557031453 /nfs/dbraw/zinc/03/14/53/557031453.db2.gz TZEZVCYTVIAUPE-OAHLLOKOSA-N 0 0 438.484 3.574 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123614 557037123 /nfs/dbraw/zinc/03/71/23/557037123.db2.gz HNSIASNYAVXKSC-IAGOWNOFSA-N 0 0 436.537 3.964 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000046124014 557037626 /nfs/dbraw/zinc/03/76/26/557037626.db2.gz UTPZEBJKFWXLOM-INIZCTEOSA-N 0 0 442.566 3.667 50 0 IHAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N3CCCCCC3)c3ccccc32)C[C@H](C)O1 ZINC000017246482 557041681 /nfs/dbraw/zinc/04/16/81/557041681.db2.gz CASIVRXRYQFOHG-KDURUIRLSA-N 0 0 443.613 3.772 50 0 IHAARN CC(=O)c1ccccc1OCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000032947312 557041729 /nfs/dbraw/zinc/04/17/29/557041729.db2.gz REXNIYNHOOKTNM-KRWDZBQOSA-N 0 0 445.537 3.688 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000017248459 557042397 /nfs/dbraw/zinc/04/23/97/557042397.db2.gz TZBIYEBMWDEULZ-UHFFFAOYSA-N 0 0 449.594 3.927 50 0 IHAARN COc1ccccc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccncc3)nn21 ZINC000017243945 557043812 /nfs/dbraw/zinc/04/38/12/557043812.db2.gz DRUUQQUBVVBQJQ-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1cccnc1 ZINC000017243949 557044099 /nfs/dbraw/zinc/04/40/99/557044099.db2.gz NGBXFSYPJFSSEZ-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000017287033 557045319 /nfs/dbraw/zinc/04/53/19/557045319.db2.gz LDGZTZZVAYUGFT-UHFFFAOYSA-N 0 0 448.610 3.859 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 ZINC000017288011 557045726 /nfs/dbraw/zinc/04/57/26/557045726.db2.gz UJZROOCMYLFLKO-UHFFFAOYSA-N 0 0 428.514 3.636 50 0 IHAARN O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000048234426 557045975 /nfs/dbraw/zinc/04/59/75/557045975.db2.gz KITGFKHOSUDZOH-UHFFFAOYSA-N 0 0 436.487 3.958 50 0 IHAARN CC(C)(CN1C(=O)[C@@H](Oc2ccccc2F)[C@H]1c1cc(F)ccc1F)N1CCOCC1 ZINC000048235803 557046853 /nfs/dbraw/zinc/04/68/53/557046853.db2.gz TZAAKXZSNYLUQE-RTWAWAEBSA-N 0 0 434.458 3.546 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000033271457 557049241 /nfs/dbraw/zinc/04/92/41/557049241.db2.gz GXXAZOLERSPPSO-GOSISDBHSA-N 0 0 443.511 3.722 50 0 IHAARN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022932469 557050662 /nfs/dbraw/zinc/05/06/62/557050662.db2.gz GTMZZRPPEPMQGW-GHTZIAJQSA-N 0 0 434.609 3.996 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)NC4CCCC4)CC3)s2)cc1 ZINC000033273034 557051176 /nfs/dbraw/zinc/05/11/76/557051176.db2.gz SNFXTEMRXWIFDG-UHFFFAOYSA-N 0 0 429.546 3.631 50 0 IHAARN COc1cc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc(OC)c1 ZINC000022934435 557051741 /nfs/dbraw/zinc/05/17/41/557051741.db2.gz MWCHAUNHSFTPBS-UHFFFAOYSA-N 0 0 425.554 3.675 50 0 IHAARN CCn1c2ccccc2n(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(=O)c1=O ZINC000033272550 557052235 /nfs/dbraw/zinc/05/22/35/557052235.db2.gz JZLJCIUQYHFCFY-UHFFFAOYSA-N 0 0 447.922 3.815 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000048254110 557052876 /nfs/dbraw/zinc/05/28/76/557052876.db2.gz UXNIBQGESJRTSH-UHFFFAOYSA-N 0 0 432.505 3.899 50 0 IHAARN COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000017307866 557053789 /nfs/dbraw/zinc/05/37/89/557053789.db2.gz XTKVVOLZWKRQOT-AWEZNQCLSA-N 0 0 434.583 3.705 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1-c1ccccc1 ZINC000022940583 557053827 /nfs/dbraw/zinc/05/38/27/557053827.db2.gz CUWDCYUEALPJNE-UHFFFAOYSA-N 0 0 429.520 3.839 50 0 IHAARN O=C(COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000048276866 557056842 /nfs/dbraw/zinc/05/68/42/557056842.db2.gz BBYMIVJYZKVCCP-VWLOTQADSA-N 0 0 442.003 3.686 50 0 IHAARN CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cccc(F)c4)ccc3n2C)cc1 ZINC000033277003 557057732 /nfs/dbraw/zinc/05/77/32/557057732.db2.gz OIQHDTSLJZBMTK-UHFFFAOYSA-N 0 0 438.484 3.540 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(NC(C)=O)cc2)c3=O)cc1 ZINC000033277760 557059923 /nfs/dbraw/zinc/05/99/23/557059923.db2.gz LRFHRWMSWVPWJC-UHFFFAOYSA-N 0 0 445.479 3.601 50 0 IHAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000017333484 557060716 /nfs/dbraw/zinc/06/07/16/557060716.db2.gz MTQPQRWLPDFOIE-UHFFFAOYSA-N 0 0 448.894 3.670 50 0 IHAARN O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCN(c2ccccn2)CC1 ZINC000033279011 557061113 /nfs/dbraw/zinc/06/11/13/557061113.db2.gz NDXQDDLXOZEDCY-UHFFFAOYSA-N 0 0 429.455 3.900 50 0 IHAARN CCCCN(C(=O)c1cc(Cl)nc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000023078951 557062469 /nfs/dbraw/zinc/06/24/69/557062469.db2.gz VLFACCQWAAYJRH-UHFFFAOYSA-N 0 0 443.935 3.567 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)c1 ZINC000033283845 557063171 /nfs/dbraw/zinc/06/31/71/557063171.db2.gz YJSFJROUWDNNAU-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1S(=O)(=O)N1CCCCC1 ZINC000048302413 557063670 /nfs/dbraw/zinc/06/36/70/557063670.db2.gz QBKYNDFLAUAWCZ-UHFFFAOYSA-N 0 0 436.537 3.879 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)c1 ZINC000033290426 557068607 /nfs/dbraw/zinc/06/86/07/557068607.db2.gz YTHOPLMXABTHGC-UHFFFAOYSA-N 0 0 446.507 3.926 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3OC)c2N)c(C)o1 ZINC000033291742 557069752 /nfs/dbraw/zinc/06/97/52/557069752.db2.gz QDLZZNQAUJBJAT-UHFFFAOYSA-N 0 0 448.483 3.532 50 0 IHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000048332292 557069827 /nfs/dbraw/zinc/06/98/27/557069827.db2.gz SLDWNEOIEKSBNV-UHFFFAOYSA-N 0 0 438.879 3.810 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(F)ccc4C)c3N)c(C)o2)cc1 ZINC000033291840 557070000 /nfs/dbraw/zinc/07/00/00/557070000.db2.gz KXTBSORAHVYQPH-UHFFFAOYSA-N 0 0 436.447 3.580 50 0 IHAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)c(F)c4)C3)n2)cc1 ZINC000033289529 557071292 /nfs/dbraw/zinc/07/12/92/557071292.db2.gz ORQOAIBIYZNEQX-INIZCTEOSA-N 0 0 426.423 3.993 50 0 IHAARN Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc21 ZINC000010889859 557074824 /nfs/dbraw/zinc/07/48/24/557074824.db2.gz UYWGVUHYODDDFH-QGZVFWFLSA-N 0 0 444.578 3.763 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1nc2ccccc2c(=O)n1C ZINC000023228275 557075016 /nfs/dbraw/zinc/07/50/16/557075016.db2.gz WZLLQCUIEXNOPV-UHFFFAOYSA-N 0 0 434.448 3.532 50 0 IHAARN CCc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(CC)cc4)c3=O)n2)cc1 ZINC000033293103 557075916 /nfs/dbraw/zinc/07/59/16/557075916.db2.gz SUSVYDWUBXRZJQ-UHFFFAOYSA-N 0 0 426.480 3.805 50 0 IHAARN Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1C ZINC000048375011 557076236 /nfs/dbraw/zinc/07/62/36/557076236.db2.gz BVJBWHWPGGLXOS-QHCPKHFHSA-N 0 0 436.556 3.541 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)cc1Cl ZINC000033300135 557078595 /nfs/dbraw/zinc/07/85/95/557078595.db2.gz CHYXOGQLTDJUFP-UHFFFAOYSA-N 0 0 444.875 3.960 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(N(C)Cc1ccccc1)n(-c1cccc(OC)c1)c2=O ZINC000033300524 557082219 /nfs/dbraw/zinc/08/22/19/557082219.db2.gz CSSRDXLWIJDDPZ-UHFFFAOYSA-N 0 0 429.476 3.817 50 0 IHAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(Br)cc2)n1 ZINC000049004833 557083988 /nfs/dbraw/zinc/08/39/88/557083988.db2.gz NZXVCYMOHVAANM-UHFFFAOYSA-N 0 0 427.302 3.917 50 0 IHAARN CC[C@@H](Nc1ncnc2sc(C(=O)NCCN3CCOCC3)c(C)c21)c1cccs1 ZINC000023337444 557084728 /nfs/dbraw/zinc/08/47/28/557084728.db2.gz PZHYFDCBNAOHSH-OAHLLOKOSA-N 0 0 445.614 3.686 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c2cc(-c3noc(C)n3)ccc2n(C(C)C)c1=O ZINC000033306902 557084984 /nfs/dbraw/zinc/08/49/84/557084984.db2.gz DHSQSZGEYHSYOD-UHFFFAOYSA-N 0 0 435.484 3.698 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)N[C@H](C)CCc2ccccc2)c(=O)n3C(C)C)no1 ZINC000033306892 557084987 /nfs/dbraw/zinc/08/49/87/557084987.db2.gz YIKTXSGAGXTZFY-QGZVFWFLSA-N 0 0 447.539 3.880 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1Cl ZINC000049008536 557086605 /nfs/dbraw/zinc/08/66/05/557086605.db2.gz SITOVWZCROUWSE-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)c1 ZINC000049009137 557087248 /nfs/dbraw/zinc/08/72/48/557087248.db2.gz XXDLQQPJYGUFQH-UHFFFAOYSA-N 0 0 441.513 3.542 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 ZINC000011326717 557088820 /nfs/dbraw/zinc/08/88/20/557088820.db2.gz NKRQHWICFJHSIN-UHFFFAOYSA-N 0 0 427.507 3.926 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@@H]3CCO4)CC2=O)cc1 ZINC000049030381 557089034 /nfs/dbraw/zinc/08/90/34/557089034.db2.gz VZGZZJNGJVZKGQ-AZUAARDMSA-N 0 0 447.535 3.764 50 0 IHAARN O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000023382363 557089471 /nfs/dbraw/zinc/08/94/71/557089471.db2.gz VDFGDLLBZYILGX-LJQANCHMSA-N 0 0 432.480 3.667 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)N3CCC(C)CC3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2n1 ZINC000049002232 557089856 /nfs/dbraw/zinc/08/98/56/557089856.db2.gz AXLMVTWWKXDHCD-UHFFFAOYSA-N 0 0 446.551 3.833 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000023401525 557090549 /nfs/dbraw/zinc/09/05/49/557090549.db2.gz IEBVTBVBVBCQEH-KRWDZBQOSA-N 0 0 439.537 3.947 50 0 IHAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)n2c3ccccc3nc21 ZINC000023411199 557091212 /nfs/dbraw/zinc/09/12/12/557091212.db2.gz RDOQFBAOHQSROA-LJQANCHMSA-N 0 0 426.904 3.951 50 0 IHAARN COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023411304 557091284 /nfs/dbraw/zinc/09/12/84/557091284.db2.gz SPHFRXGNJPTDTH-NRFANRHFSA-N 0 0 427.464 3.557 50 0 IHAARN CSc1ccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1 ZINC000033309724 557092352 /nfs/dbraw/zinc/09/23/52/557092352.db2.gz ZEWRXCAEISDDEW-UHFFFAOYSA-N 0 0 434.477 3.654 50 0 IHAARN O=C(c1ccc(F)cc1Cl)N1CCC[C@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310614 557094256 /nfs/dbraw/zinc/09/42/56/557094256.db2.gz GMGWVQDXRGXANP-SFHVURJKSA-N 0 0 446.906 3.635 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)CC2=O)cc1 ZINC000049363046 557094581 /nfs/dbraw/zinc/09/45/81/557094581.db2.gz XMSKBVZJPYRORE-KRWDZBQOSA-N 0 0 436.537 3.866 50 0 IHAARN CCOc1ccccc1CNC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1 ZINC000033312902 557097603 /nfs/dbraw/zinc/09/76/03/557097603.db2.gz TUTZNOODMANQKE-SANMLTNESA-N 0 0 449.595 3.559 50 0 IHAARN O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000033313046 557097909 /nfs/dbraw/zinc/09/79/09/557097909.db2.gz OLDQAKMHTBOCTR-UHFFFAOYSA-N 0 0 431.515 3.845 50 0 IHAARN CCNC(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000023553123 557098025 /nfs/dbraw/zinc/09/80/25/557098025.db2.gz QNSOCRMJQYWDGC-LLVKDONJSA-N 0 0 438.431 3.696 50 0 IHAARN CCc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000049403065 557098787 /nfs/dbraw/zinc/09/87/87/557098787.db2.gz DVYNBNXJGJFYLO-FQEVSTJZSA-N 0 0 443.862 3.557 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)cc1 ZINC000033315168 557098985 /nfs/dbraw/zinc/09/89/85/557098985.db2.gz NWVVXCLTSDLTFC-QGZVFWFLSA-N 0 0 440.565 3.935 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)cc1 ZINC000033315170 557098989 /nfs/dbraw/zinc/09/89/89/557098989.db2.gz NWVVXCLTSDLTFC-KRWDZBQOSA-N 0 0 440.565 3.935 50 0 IHAARN COc1cc(OC)c(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1Cl ZINC000049404221 557099599 /nfs/dbraw/zinc/09/95/99/557099599.db2.gz ADPYASDLMDKIDZ-UHFFFAOYSA-N 0 0 433.921 3.681 50 0 IHAARN COc1ccc(CN(c2cc(C)cc(C)c2)S(=O)(=O)c2cccn3cnnc23)cc1F ZINC000049404961 557100124 /nfs/dbraw/zinc/10/01/24/557100124.db2.gz ZDZMWWMIRSJRSX-UHFFFAOYSA-N 0 0 440.500 3.889 50 0 IHAARN CCc1noc(-c2ccc(SCC(=O)N3CCN(c4cc(C)ccc4C)CC3)nc2)n1 ZINC000049405604 557100713 /nfs/dbraw/zinc/10/07/13/557100713.db2.gz AIUJNSHYEABVSB-UHFFFAOYSA-N 0 0 437.569 3.752 50 0 IHAARN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccc(Cl)c1 ZINC000049406613 557101832 /nfs/dbraw/zinc/10/18/32/557101832.db2.gz QJQNVDAZZBHDGH-UHFFFAOYSA-N 0 0 426.879 3.904 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000085620560 557102314 /nfs/dbraw/zinc/10/23/14/557102314.db2.gz LRHWZXMZRPRTCR-HNNXBMFYSA-N 0 0 448.361 3.571 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621432 557102846 /nfs/dbraw/zinc/10/28/46/557102846.db2.gz PVNOYCFYFIVMGY-XLIONFOSSA-N 0 0 439.556 3.926 50 0 IHAARN COc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000049408340 557103076 /nfs/dbraw/zinc/10/30/76/557103076.db2.gz FKWYALJQLHGGQM-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1C ZINC000585147557 557105086 /nfs/dbraw/zinc/10/50/86/557105086.db2.gz RWPRFJAVIUKEJO-UHFFFAOYSA-N 0 0 437.565 3.628 50 0 IHAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147546 557105113 /nfs/dbraw/zinc/10/51/13/557105113.db2.gz OADVTIPJWSUGSK-UHFFFAOYSA-N 0 0 442.441 3.877 50 0 IHAARN O=C(c1cnc2ccccc2n1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147556 557105194 /nfs/dbraw/zinc/10/51/94/557105194.db2.gz RGKUIWREKLLKLC-UHFFFAOYSA-N 0 0 443.482 3.545 50 0 IHAARN CCn1c(=O)c2cnn(CCO)c2nc1SCc1nc(-c2ccccc2Cl)oc1C ZINC000033321235 557106030 /nfs/dbraw/zinc/10/60/30/557106030.db2.gz OHOKHRMLZXISDO-UHFFFAOYSA-N 0 0 445.932 3.514 50 0 IHAARN Cc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c(C)c1 ZINC000049411570 557106972 /nfs/dbraw/zinc/10/69/72/557106972.db2.gz XJFMLBQFJXPKFX-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN COc1ccc(N2C(=O)N(Cc3cc(F)cc(F)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049420940 557107521 /nfs/dbraw/zinc/10/75/21/557107521.db2.gz PECDAPBMJULMMY-UHFFFAOYSA-N 0 0 431.420 3.831 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(C(=O)Cn4cnc5ccccc54)CC3)s2)cc1 ZINC000049422480 557109222 /nfs/dbraw/zinc/10/92/22/557109222.db2.gz VGNOJEWAUQKWKK-UHFFFAOYSA-N 0 0 447.564 3.893 50 0 IHAARN O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000049460562 557109549 /nfs/dbraw/zinc/10/95/49/557109549.db2.gz CASNXIUBPMJWQL-UHFFFAOYSA-N 0 0 429.933 3.953 50 0 IHAARN O=C1CN(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)C(=O)N1CC(F)(F)F ZINC000585148531 557109683 /nfs/dbraw/zinc/10/96/83/557109683.db2.gz VAQWVRWATAHLDT-UHFFFAOYSA-N 0 0 438.475 3.601 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC ZINC000011358728 557110916 /nfs/dbraw/zinc/11/09/16/557110916.db2.gz MGDZLABTNYORSE-UHFFFAOYSA-N 0 0 437.876 3.950 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000049543706 557110933 /nfs/dbraw/zinc/11/09/33/557110933.db2.gz BQGYNZINSLANGQ-FQEVSTJZSA-N 0 0 433.460 3.599 50 0 biogenic IHAARN COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c(OC)c1OC ZINC000049545910 557111400 /nfs/dbraw/zinc/11/14/00/557111400.db2.gz RVMDXWXJYBYLNB-OAHLLOKOSA-N 0 0 444.484 3.812 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccccc1Cl ZINC000049550167 557112980 /nfs/dbraw/zinc/11/29/80/557112980.db2.gz FRAMHQZMYCGLGZ-HNNXBMFYSA-N 0 0 428.897 3.937 50 0 IHAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000010925336 557114646 /nfs/dbraw/zinc/11/46/46/557114646.db2.gz GQFNRYKBWYGHFD-UHFFFAOYSA-N 0 0 441.553 3.852 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)nc3n2)cc1 ZINC000003139472 557115110 /nfs/dbraw/zinc/11/51/10/557115110.db2.gz ZUARNXODJQIPRH-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)OCc3nnsc3Cl)CC2)c2ccccc12 ZINC000049590134 557116994 /nfs/dbraw/zinc/11/69/94/557116994.db2.gz ONHYDJKZESECCI-UHFFFAOYSA-N 0 0 445.928 3.949 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023819150 557118759 /nfs/dbraw/zinc/11/87/59/557118759.db2.gz BEGCROLNFFZGJW-UHFFFAOYSA-N 0 0 434.462 3.854 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1F ZINC000023881626 557122572 /nfs/dbraw/zinc/12/25/72/557122572.db2.gz VZEWIUFUOLSEKH-UHFFFAOYSA-N 0 0 436.531 3.654 50 0 IHAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000000630320 557122644 /nfs/dbraw/zinc/12/26/44/557122644.db2.gz GXXSPZSFDVGBSE-QGZVFWFLSA-N 0 0 449.912 3.726 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023882216 557123164 /nfs/dbraw/zinc/12/31/64/557123164.db2.gz AWZRQVUQCHFYQA-UHFFFAOYSA-N 0 0 449.507 3.557 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000000635013 557123462 /nfs/dbraw/zinc/12/34/62/557123462.db2.gz QRRFHGLWNVJELV-MUMAZLPKSA-N 0 0 444.965 3.513 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000017821634 557124491 /nfs/dbraw/zinc/12/44/91/557124491.db2.gz QVKLBFGOEMTFQC-ZRBLBEILSA-N 0 0 430.460 3.760 50 0 IHAARN COc1cc(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)ccc1OCc1ccccc1 ZINC000023908285 557124797 /nfs/dbraw/zinc/12/47/97/557124797.db2.gz SVRKSGDWCCSKQP-UHFFFAOYSA-N 0 0 447.535 3.778 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000023908993 557125577 /nfs/dbraw/zinc/12/55/77/557125577.db2.gz DGERVDDNYGFCCK-GOSISDBHSA-N 0 0 429.567 3.637 50 0 IHAARN COc1cccc2cc(C(=O)N3CCN([C@H](C)c4nc5ccccc5s4)CC3)c(=O)oc21 ZINC000023919428 557125827 /nfs/dbraw/zinc/12/58/27/557125827.db2.gz VHBSETGWENZAKJ-OAHLLOKOSA-N 0 0 449.532 3.930 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000023934849 557125911 /nfs/dbraw/zinc/12/59/11/557125911.db2.gz GQVBLQDVWGGAAQ-FQEVSTJZSA-N 0 0 433.556 3.616 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCSc1ccc(Cl)cc1 ZINC000023922563 557125941 /nfs/dbraw/zinc/12/59/41/557125941.db2.gz ZVQMHYZSXPBJSS-UHFFFAOYSA-N 0 0 445.031 3.637 50 0 IHAARN CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000014714274 557126818 /nfs/dbraw/zinc/12/68/18/557126818.db2.gz MPAIAKWFYRIAPT-UHFFFAOYSA-N 0 0 442.994 3.961 50 0 IHAARN O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000017909409 557127981 /nfs/dbraw/zinc/12/79/81/557127981.db2.gz SZVVMSKWHBJQNX-UHFFFAOYSA-N 0 0 447.409 3.815 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)ccn3n2)cc1 ZINC000024007509 557131484 /nfs/dbraw/zinc/13/14/84/557131484.db2.gz GMFQNRKDWGXZNY-UHFFFAOYSA-N 0 0 426.835 3.603 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024730346 557131552 /nfs/dbraw/zinc/13/15/52/557131552.db2.gz ACMYFEPPJFFVLF-FQEVSTJZSA-N 0 0 445.548 3.789 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)CSc2ncnc3sc(C)c(C)c32)c1 ZINC000017968921 557134732 /nfs/dbraw/zinc/13/47/32/557134732.db2.gz ODFMWLOLNMERTP-UHFFFAOYSA-N 0 0 430.555 3.506 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000024071615 557135207 /nfs/dbraw/zinc/13/52/07/557135207.db2.gz WPEDERAPUACUIT-HXUWFJFHSA-N 0 0 429.948 3.755 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2ncn(CC(=O)N(C)[C@@H]2CCCc4ccccc42)c3=O)c1 ZINC000024094273 557136729 /nfs/dbraw/zinc/13/67/29/557136729.db2.gz XIEVXELLVMHNNE-HSZRJFAPSA-N 0 0 441.535 3.735 50 0 IHAARN Cc1cccc(Nc2nnc(SC[C@H](O)COCc3ccc4c(c3)OCO4)s2)c1 ZINC000024094722 557137008 /nfs/dbraw/zinc/13/70/08/557137008.db2.gz SIYUXSIFCPUNNQ-MRXNPFEDSA-N 0 0 431.539 3.989 50 0 IHAARN O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 ZINC000024197347 557140420 /nfs/dbraw/zinc/14/04/20/557140420.db2.gz RXSIWXNZMATUQS-UHFFFAOYSA-N 0 0 432.509 3.732 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000011402518 557141967 /nfs/dbraw/zinc/14/19/67/557141967.db2.gz IUHUSZNLQRUOEH-UHFFFAOYSA-N 0 0 436.487 3.610 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1Cl ZINC000024304991 557143980 /nfs/dbraw/zinc/14/39/80/557143980.db2.gz NJCLGMNCDPPQQL-DXCKQFNASA-N 0 0 435.981 3.972 50 0 IHAARN COc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)ccc1N1CCCC1=O ZINC000011446253 557148610 /nfs/dbraw/zinc/14/86/10/557148610.db2.gz QUYUHTHSCLCHJS-UHFFFAOYSA-N 0 0 442.472 3.742 50 0 IHAARN COc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1N1CCCC1=O ZINC000011447196 557148656 /nfs/dbraw/zinc/14/86/56/557148656.db2.gz YGIKADBNDQXRNA-UHFFFAOYSA-N 0 0 430.888 3.818 50 0 IHAARN CNS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000024529151 557150370 /nfs/dbraw/zinc/15/03/70/557150370.db2.gz CVBROWOFDRJQCB-XMMPIXPASA-N 0 0 447.560 3.931 50 0 IHAARN COc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)cn1 ZINC000024528637 557150436 /nfs/dbraw/zinc/15/04/36/557150436.db2.gz VXFGWLZWZDHSTN-HNNXBMFYSA-N 0 0 439.585 3.664 50 0 IHAARN CNS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000024529154 557150460 /nfs/dbraw/zinc/15/04/60/557150460.db2.gz CVBROWOFDRJQCB-DEOSSOPVSA-N 0 0 447.560 3.931 50 0 IHAARN O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606776 557153433 /nfs/dbraw/zinc/15/34/33/557153433.db2.gz DHLKQKALQTXVNV-AWEZNQCLSA-N 0 0 445.031 3.711 50 0 IHAARN COc1ccc(OC)c(C(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000023297038 557155473 /nfs/dbraw/zinc/15/54/73/557155473.db2.gz PKOBOQLCOIPESU-UHFFFAOYSA-N 0 0 425.437 3.927 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(N)s1)C[C@H](CC)CC2 ZINC000095481988 557157453 /nfs/dbraw/zinc/15/74/53/557157453.db2.gz KFUSJSXBEYCNFV-SECBINFHSA-N 0 0 426.589 3.604 50 0 IHAARN Cc1ccc(-c2nc(C)c(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)s2)o1 ZINC000024668424 557158302 /nfs/dbraw/zinc/15/83/02/557158302.db2.gz QQIQSULYFCOAOX-INIZCTEOSA-N 0 0 427.551 3.851 50 0 IHAARN CCOC(=O)CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000011523174 557159253 /nfs/dbraw/zinc/15/92/53/557159253.db2.gz VQCNPQTWGJVJBN-UHFFFAOYSA-N 0 0 430.917 3.609 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 ZINC000011544308 557162717 /nfs/dbraw/zinc/16/27/17/557162717.db2.gz OFLFNOAHQNHPFR-UHFFFAOYSA-N 0 0 438.553 3.687 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)Cc2cccc3ccccc32)CC1 ZINC000024769539 557165601 /nfs/dbraw/zinc/16/56/01/557165601.db2.gz ZUYAKGUCNSHBGW-FQEVSTJZSA-N 0 0 445.563 3.635 50 0 IHAARN Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)o1 ZINC000206969426 557168168 /nfs/dbraw/zinc/16/81/68/557168168.db2.gz INBBVKNXLKIYLB-LJQANCHMSA-N 0 0 429.469 3.596 50 0 IHAARN O=C(N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000008809525 557171241 /nfs/dbraw/zinc/17/12/41/557171241.db2.gz PGYDVKROFXKXTR-ZDUSSCGKSA-N 0 0 433.748 3.991 50 0 IHAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000000779221 557174381 /nfs/dbraw/zinc/17/43/81/557174381.db2.gz TYWFUXVOWOJRBU-UHFFFAOYSA-N 0 0 441.557 3.967 50 0 IHAARN Cc1c(NC(=O)c2cc3cc(Br)ccc3[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000024865557 557175330 /nfs/dbraw/zinc/17/53/30/557175330.db2.gz IZGBWWBFNRODTO-UHFFFAOYSA-N 0 0 425.286 3.981 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000024923673 557178974 /nfs/dbraw/zinc/17/89/74/557178974.db2.gz YFQHCWDHXRGJCV-UHFFFAOYSA-N 0 0 432.505 3.691 50 0 IHAARN Cn1cc(C(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c2ccccc21 ZINC000009095955 557181768 /nfs/dbraw/zinc/18/17/68/557181768.db2.gz JDOFBRSSVDYLAH-UHFFFAOYSA-N 0 0 437.500 3.602 50 0 IHAARN COc1ccc([N-]S(=O)(=O)c2sc3ccc(C)cc3c2C)cc1N1CC[NH2+]CC1 ZINC000096179454 557182587 /nfs/dbraw/zinc/18/25/87/557182587.db2.gz UJHBBKVWYXPDQD-UHFFFAOYSA-N 0 0 431.583 3.737 50 0 in-vitro IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000024979064 557185284 /nfs/dbraw/zinc/18/52/84/557185284.db2.gz PHQKZTCSALIHEC-UHFFFAOYSA-N 0 0 439.585 3.647 50 0 IHAARN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[C@@H]1c1cccnc1 ZINC000024988221 557186723 /nfs/dbraw/zinc/18/67/23/557186723.db2.gz FUCQMZCUUJCYJU-MRXNPFEDSA-N 0 0 440.594 3.855 50 0 IHAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000025008856 557189046 /nfs/dbraw/zinc/18/90/46/557189046.db2.gz SIFGPKOHRILGPG-UHFFFAOYSA-N 0 0 440.471 3.856 50 0 IHAARN CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccccc1 ZINC000009699388 557191700 /nfs/dbraw/zinc/19/17/00/557191700.db2.gz KUTHTSUEYJMVMW-UHFFFAOYSA-N 0 0 426.517 3.978 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000100858287 557193441 /nfs/dbraw/zinc/19/34/41/557193441.db2.gz HUFCRCIVCJTWQI-QFIPXVFZSA-N 0 0 432.451 3.809 50 0 IHAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000024894086 557193786 /nfs/dbraw/zinc/19/37/86/557193786.db2.gz SFFWUPPUYJDRCI-AWEZNQCLSA-N 0 0 425.286 3.831 50 0 IHAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000025171174 557198264 /nfs/dbraw/zinc/19/82/64/557198264.db2.gz GSJAKESBXKCQCH-UHFFFAOYSA-N 0 0 426.432 3.573 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12 ZINC000000791178 557199049 /nfs/dbraw/zinc/19/90/49/557199049.db2.gz NMNWSHGLDACXIU-UHFFFAOYSA-N 0 0 425.510 3.895 50 0 IHAARN O[C@H](COCc1ccccc1F)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000025306919 557203101 /nfs/dbraw/zinc/20/31/01/557203101.db2.gz KIDIYVLRXBVMKJ-QFIPXVFZSA-N 0 0 441.572 3.645 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccs2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100946367 557203452 /nfs/dbraw/zinc/20/34/52/557203452.db2.gz HIPVXSJPQKGMNS-LIRRHRJNSA-N 0 0 447.582 3.571 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC1 ZINC000025347638 557205699 /nfs/dbraw/zinc/20/56/99/557205699.db2.gz PJDCQEQREIIUPP-UHFFFAOYSA-N 0 0 429.826 3.960 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1 ZINC000011596026 557208219 /nfs/dbraw/zinc/20/82/19/557208219.db2.gz WRGBLKBUKLSITP-UHFFFAOYSA-N 0 0 426.498 3.607 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000011613148 557208979 /nfs/dbraw/zinc/20/89/79/557208979.db2.gz CANKNZZDFMSLRA-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 ZINC000011621023 557212702 /nfs/dbraw/zinc/21/27/02/557212702.db2.gz YREICSPMASVVLY-UHFFFAOYSA-N 0 0 425.514 3.843 50 0 IHAARN Cc1ccc(OC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Oc2ccc(C)c(C)c2)cc1C ZINC000025558345 557213995 /nfs/dbraw/zinc/21/39/95/557213995.db2.gz FQRDNFLOCBDDPS-PMACEKPBSA-N 0 0 444.549 3.872 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc1)c1ccco1 ZINC000023316207 557214966 /nfs/dbraw/zinc/21/49/66/557214966.db2.gz OKKPNDYFZHWRNP-UHFFFAOYSA-N 0 0 428.851 3.682 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 ZINC000011622230 557214988 /nfs/dbraw/zinc/21/49/88/557214988.db2.gz JDHJQYPUGPYLBB-UHFFFAOYSA-N 0 0 439.541 3.902 50 0 IHAARN COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000011635197 557217654 /nfs/dbraw/zinc/21/76/54/557217654.db2.gz HBDSHFSSVFJSIA-UHFFFAOYSA-N 0 0 449.120 3.799 50 0 IHAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 ZINC000025653672 557220584 /nfs/dbraw/zinc/22/05/84/557220584.db2.gz WKDAHMOVFUVHLX-IBGZPJMESA-N 0 0 428.476 3.829 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000011001009 557223005 /nfs/dbraw/zinc/22/30/05/557223005.db2.gz TYCROYTWEQNRKK-UHFFFAOYSA-N 0 0 427.353 3.839 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c(C)c1 ZINC000097759513 557223834 /nfs/dbraw/zinc/22/38/34/557223834.db2.gz OXXFTAFQNBIGGE-HXUWFJFHSA-N 0 0 431.458 3.776 50 0 IHAARN COc1cc(NC(=O)c2ccccc2I)ccc1N1CCCC1=O ZINC000011257625 557227804 /nfs/dbraw/zinc/22/78/04/557227804.db2.gz JKJSMVCUZCACBW-UHFFFAOYSA-N 0 0 436.249 3.679 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n1 ZINC000025821743 557227836 /nfs/dbraw/zinc/22/78/36/557227836.db2.gz MSKGTVKFGHCLAW-UHFFFAOYSA-N 0 0 439.493 3.604 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Br)s1 ZINC000011357774 557228410 /nfs/dbraw/zinc/22/84/10/557228410.db2.gz ACASEJGKAIPUQT-UHFFFAOYSA-N 0 0 441.328 3.834 50 0 IHAARN Cc1sc2ncn(CCC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c(=O)c2c1C ZINC000025846610 557228479 /nfs/dbraw/zinc/22/84/79/557228479.db2.gz CPIQFUNYFALTMB-UHFFFAOYSA-N 0 0 435.553 3.747 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)C)n2[C@H](C)COC)c1 ZINC000011478635 557229457 /nfs/dbraw/zinc/22/94/57/557229457.db2.gz UJNVVPIZUNBBFG-MRXNPFEDSA-N 0 0 440.635 3.931 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000024926116 557231228 /nfs/dbraw/zinc/23/12/28/557231228.db2.gz USQZNTMOARPSHK-HXUWFJFHSA-N 0 0 443.956 3.909 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(F)c3)n2)cc1OC ZINC000011693351 557232215 /nfs/dbraw/zinc/23/22/15/557232215.db2.gz CPLBNFNGSDXMJR-UHFFFAOYSA-N 0 0 429.423 3.625 50 0 IHAARN COc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000098211301 557234614 /nfs/dbraw/zinc/23/46/14/557234614.db2.gz ZCUDPHGRQPWTSS-UHFFFAOYSA-N 0 0 432.480 3.581 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C2CC2)cc1 ZINC000026113708 557234811 /nfs/dbraw/zinc/23/48/11/557234811.db2.gz CQMPRJZTAQRRHU-HSZRJFAPSA-N 0 0 447.535 3.501 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1OCC ZINC000098211833 557235523 /nfs/dbraw/zinc/23/55/23/557235523.db2.gz LKBBCWMCTSMWMJ-UHFFFAOYSA-N 0 0 426.542 3.898 50 0 IHAARN CCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1 ZINC000098212805 557236116 /nfs/dbraw/zinc/23/61/16/557236116.db2.gz UNOGEHKNGKELLL-UHFFFAOYSA-N 0 0 434.540 3.812 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000018092672 557236358 /nfs/dbraw/zinc/23/63/58/557236358.db2.gz ROHMQHHBYUFCEH-UHFFFAOYSA-N 0 0 427.526 3.840 50 0 IHAARN CCOc1ccc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)cc1OCC ZINC000390827370 557238079 /nfs/dbraw/zinc/23/80/79/557238079.db2.gz XESQUFMIGLTMJW-OAQYLSRUSA-N 0 0 435.517 3.625 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 ZINC000026390773 557240190 /nfs/dbraw/zinc/24/01/90/557240190.db2.gz CBOGXKLPVGKQPU-SFHVURJKSA-N 0 0 449.598 3.833 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000011007647 557242184 /nfs/dbraw/zinc/24/21/84/557242184.db2.gz DDNWDJNMXQYSRH-UHFFFAOYSA-N 0 0 437.521 3.581 50 0 IHAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)o2)c1 ZINC000026491908 557242616 /nfs/dbraw/zinc/24/26/16/557242616.db2.gz MTPRDBAOQRMSAQ-OAQYLSRUSA-N 0 0 439.537 3.958 50 0 IHAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000100153976 557244111 /nfs/dbraw/zinc/24/41/11/557244111.db2.gz GVHBMBDKVBXHMC-HXUWFJFHSA-N 0 0 447.457 3.558 50 0 IHAARN COc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1NC(C)=O ZINC000026618027 557245490 /nfs/dbraw/zinc/24/54/90/557245490.db2.gz OFFXVFFGHQSFKV-UHFFFAOYSA-N 0 0 442.475 3.664 50 0 IHAARN Cc1nc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)ccc2[nH]1 ZINC000604419194 557251168 /nfs/dbraw/zinc/25/11/68/557251168.db2.gz GNDNFAWFPPFQCB-QHCPKHFHSA-N 0 0 437.459 3.625 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Oc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000018222845 557252890 /nfs/dbraw/zinc/25/28/90/557252890.db2.gz NKFABEUDURBCPP-QHCPKHFHSA-N 0 0 438.524 3.659 50 0 IHAARN Cc1ccc(SCCC(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000018248021 557254062 /nfs/dbraw/zinc/25/40/62/557254062.db2.gz NFJFBUFWDBQERZ-UHFFFAOYSA-N 0 0 428.554 3.734 50 0 IHAARN O=C(Nn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000027034000 557255899 /nfs/dbraw/zinc/25/58/99/557255899.db2.gz YYNCYKSEVVNIAB-UHFFFAOYSA-N 0 0 432.933 3.638 50 0 IHAARN CCOC(=O)c1ccc(Oc2nc(OC)nc(Oc3ccc(C(=O)OCC)cc3)n2)cc1 ZINC000000816811 557257441 /nfs/dbraw/zinc/25/74/41/557257441.db2.gz XOQXZHOGQRYYPF-UHFFFAOYSA-N 0 0 439.424 3.818 50 0 IHAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000101160754 557257520 /nfs/dbraw/zinc/25/75/20/557257520.db2.gz ZXAUYQPYNFGRDW-UHFFFAOYSA-N 0 0 444.944 3.951 50 0 IHAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1Cl ZINC000101160573 557257525 /nfs/dbraw/zinc/25/75/25/557257525.db2.gz FIHZWQMQJVJJAH-UHFFFAOYSA-N 0 0 444.944 3.951 50 0 IHAARN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000027359170 557261306 /nfs/dbraw/zinc/26/13/06/557261306.db2.gz SAHSYQWCOYPHOK-AWEZNQCLSA-N 0 0 429.981 3.791 50 0 IHAARN COc1cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(Br)c1O ZINC000000819287 557261574 /nfs/dbraw/zinc/26/15/74/557261574.db2.gz JKFBCCMKVJJOAW-AWEZNQCLSA-N 0 0 425.367 3.634 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2N2CCOCC2)cc1 ZINC000100630507 557266682 /nfs/dbraw/zinc/26/66/82/557266682.db2.gz LXLMNQYOCCULEM-SFTDATJTSA-N 0 0 445.519 3.540 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000000824163 557269941 /nfs/dbraw/zinc/26/99/41/557269941.db2.gz DMJBEWGOFKXHCW-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)n1 ZINC000027742977 557272278 /nfs/dbraw/zinc/27/22/78/557272278.db2.gz IWJVEMAPKKYSCP-UHFFFAOYSA-N 0 0 437.959 3.931 50 0 IHAARN COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)cc1 ZINC000027793863 557274437 /nfs/dbraw/zinc/27/44/37/557274437.db2.gz BUICCJBRSCCSGT-UHFFFAOYSA-N 0 0 437.521 3.588 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101388000 557282365 /nfs/dbraw/zinc/28/23/65/557282365.db2.gz MFQPISHVBZQPCH-HXUWFJFHSA-N 0 0 429.517 3.880 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000030993025 557282373 /nfs/dbraw/zinc/28/23/73/557282373.db2.gz VZHACZYUJYNUOB-UZLBHIALSA-N 0 0 444.915 3.512 50 0 IHAARN CC(=O)N[C@H]1c2cc(Br)ccc2N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000101408766 557284109 /nfs/dbraw/zinc/28/41/09/557284109.db2.gz OMYVWZLBVSNBNQ-KRWDZBQOSA-N 0 0 437.677 3.555 50 0 IHAARN O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccccc1 ZINC000011665574 557285813 /nfs/dbraw/zinc/28/58/13/557285813.db2.gz RGNPVOBQFBZJCX-UHFFFAOYSA-N 0 0 428.477 3.654 50 0 IHAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000011665811 557292238 /nfs/dbraw/zinc/29/22/38/557292238.db2.gz NVUJKZZMTNKUJX-UHFFFAOYSA-N 0 0 449.518 3.635 50 0 IHAARN CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)s1 ZINC000014051162 557292804 /nfs/dbraw/zinc/29/28/04/557292804.db2.gz XLFPJIHDPHVSDG-UHFFFAOYSA-N 0 0 430.983 3.863 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000101628502 557293339 /nfs/dbraw/zinc/29/33/39/557293339.db2.gz CVBXQQOMGSSPCH-IRXDYDNUSA-N 0 0 448.491 3.749 50 0 IHAARN Cc1cc(C)c(-c2cc(NC(=O)CSc3nnnn3C)n(-c3ccccc3)n2)cc1C ZINC000014076792 557299413 /nfs/dbraw/zinc/29/94/13/557299413.db2.gz PQVJYIFWQONRBZ-UHFFFAOYSA-N 0 0 433.541 3.719 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828626 557300129 /nfs/dbraw/zinc/30/01/29/557300129.db2.gz CJFUNUCUVDITAT-UHFFFAOYSA-N 0 0 442.450 3.896 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000014110771 557304155 /nfs/dbraw/zinc/30/41/55/557304155.db2.gz XEPSNISNFDMHTP-QFIPXVFZSA-N 0 0 445.972 3.706 50 0 IHAARN COc1ccc(C2=Nc3nnnn3[C@H](c3c(C)nn(-c4ccccc4)c3Cl)C2)cc1OC ZINC000101867320 557304398 /nfs/dbraw/zinc/30/43/98/557304398.db2.gz GYSCDEYUAYFBOQ-KRWDZBQOSA-N 0 0 449.902 3.894 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1cccc(F)c1 ZINC000102745896 557307121 /nfs/dbraw/zinc/30/71/21/557307121.db2.gz CSPHGUZUECBPQW-FQEVSTJZSA-N 0 0 429.517 3.880 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@H]1c1ccccc1C ZINC000102849602 557309255 /nfs/dbraw/zinc/30/92/55/557309255.db2.gz NOARLVLXIFUGJB-QFIPXVFZSA-N 0 0 448.548 3.844 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(C)c3)c2=O)cc1 ZINC000049421556 557312482 /nfs/dbraw/zinc/31/24/82/557312482.db2.gz WRPQDHYTWWJFSG-UHFFFAOYSA-N 0 0 442.512 3.693 50 0 IHAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000014180397 557313406 /nfs/dbraw/zinc/31/34/06/557313406.db2.gz VTMPJOZZRFSPMF-OALUTQOASA-N 0 0 443.455 3.707 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H](C(C)C)C(=O)N3)CC1 ZINC000102138397 557313578 /nfs/dbraw/zinc/31/35/78/557313578.db2.gz RJOTUFLBHSKFGA-OAQYLSRUSA-N 0 0 447.988 3.851 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088484 557322453 /nfs/dbraw/zinc/32/24/53/557322453.db2.gz ABMURQAXJPPBIS-UHFFFAOYSA-N 0 0 445.357 3.832 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c1 ZINC000033071244 557323769 /nfs/dbraw/zinc/32/37/69/557323769.db2.gz WTWCQKSSKZRUOT-UHFFFAOYSA-N 0 0 443.345 3.867 50 0 IHAARN CCOc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(CC)c2=O)CC1 ZINC000033169627 557326726 /nfs/dbraw/zinc/32/67/26/557326726.db2.gz HCDAQFKFOPRBOG-UHFFFAOYSA-N 0 0 435.528 3.606 50 0 IHAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000033276340 557328902 /nfs/dbraw/zinc/32/89/02/557328902.db2.gz SCQNFHDFYRIZHG-AWEZNQCLSA-N 0 0 446.916 3.672 50 0 IHAARN O=C1C[C@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1Cc1ccccc1 ZINC000033320874 557332846 /nfs/dbraw/zinc/33/28/46/557332846.db2.gz FGVHBRLHTGPBOR-FCHUYYIVSA-N 0 0 441.531 3.992 50 0 IHAARN COc1ccc(N(CC(=O)N2CCC(c3ccccc3)=N2)S(=O)(=O)c2ccccc2)cc1 ZINC000014302619 557333634 /nfs/dbraw/zinc/33/36/34/557333634.db2.gz ADKHPJPGWPDIIK-UHFFFAOYSA-N 0 0 449.532 3.527 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC(=O)Nc3ccccc32)cc1 ZINC000033404876 557334559 /nfs/dbraw/zinc/33/45/59/557334559.db2.gz YNGXJAUDTAJKGD-DEOSSOPVSA-N 0 0 440.503 3.832 50 0 IHAARN O=C(N[C@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000836649 557336262 /nfs/dbraw/zinc/33/62/62/557336262.db2.gz UKQLUYPOWROZCA-LLVKDONJSA-N 0 0 428.128 3.741 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000003112825 557338027 /nfs/dbraw/zinc/33/80/27/557338027.db2.gz JHSYNXKOOBQEDJ-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)c2c1 ZINC000023330298 557340889 /nfs/dbraw/zinc/34/08/89/557340889.db2.gz ZFWFTMUZJUJGHF-UHFFFAOYSA-N 0 0 427.526 3.703 50 0 IHAARN Cc1cccc(C(=O)N2CCN(c3ncccc3C(=O)NCc3cccs3)CC2)c1C ZINC000023333319 557347123 /nfs/dbraw/zinc/34/71/23/557347123.db2.gz OLDHKLKMEAIOLW-UHFFFAOYSA-N 0 0 434.565 3.652 50 0 IHAARN C/C=C(\C)C(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000023336204 557348758 /nfs/dbraw/zinc/34/87/58/557348758.db2.gz DFXLBLBEHGKHQH-QLKAYGNNSA-N 0 0 431.327 3.713 50 0 IHAARN CCCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccccn3)cc2)CC1 ZINC000023430534 557355184 /nfs/dbraw/zinc/35/51/84/557355184.db2.gz UEDCRJQPCPLXSV-UHFFFAOYSA-N 0 0 447.539 3.560 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102586675 557355793 /nfs/dbraw/zinc/35/57/93/557355793.db2.gz CYXIWMMECLFHTN-RZUBCFFCSA-N 0 0 448.519 3.687 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000102622003 557360013 /nfs/dbraw/zinc/36/00/13/557360013.db2.gz GTAIDFGUQCFWCY-CALCHBBNSA-N 0 0 445.313 3.501 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000102622006 557360048 /nfs/dbraw/zinc/36/00/48/557360048.db2.gz GTAIDFGUQCFWCY-IAGOWNOFSA-N 0 0 445.313 3.501 50 0 IHAARN CCc1ccc(C(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc1 ZINC000023459518 557360178 /nfs/dbraw/zinc/36/01/78/557360178.db2.gz ZEHAXXJIWFPMDC-UHFFFAOYSA-N 0 0 440.551 3.548 50 0 IHAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000023538233 557365893 /nfs/dbraw/zinc/36/58/93/557365893.db2.gz SIFAQCOLTCYOJA-UHFFFAOYSA-N 0 0 446.459 3.896 50 0 IHAARN Cn1ncc2c1ncnc2SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000011683202 557366208 /nfs/dbraw/zinc/36/62/08/557366208.db2.gz BQMZTEOLUGWRFN-CQSZACIVSA-N 0 0 440.579 3.956 50 0 IHAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102712683 557374089 /nfs/dbraw/zinc/37/40/89/557374089.db2.gz KGEQGIAXPBGPBH-YPAWHYETSA-N 0 0 434.423 3.591 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1OC ZINC000102713213 557374587 /nfs/dbraw/zinc/37/45/87/557374587.db2.gz PXSJQVJGJHFENU-MQSCRBSSSA-N 0 0 430.460 3.755 50 0 IHAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(S(N)(=O)=O)cc1 ZINC000102719282 557375676 /nfs/dbraw/zinc/37/56/76/557375676.db2.gz JOOIVHWZORYKCM-UHFFFAOYSA-N 0 0 446.941 3.877 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1ccccc1OC ZINC000102744309 557377112 /nfs/dbraw/zinc/37/71/12/557377112.db2.gz BEJVSYRTZDRMIO-HXUWFJFHSA-N 0 0 429.542 3.748 50 0 IHAARN O=C(c1ccc(I)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002875820 557377959 /nfs/dbraw/zinc/37/79/59/557377959.db2.gz QSSAIHARADDWDZ-UHFFFAOYSA-N 0 0 426.685 3.907 50 0 IHAARN Clc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=Nc2nnnn21 ZINC000102799519 557389688 /nfs/dbraw/zinc/38/96/88/557389688.db2.gz VVFRCQYQPGNMNC-HNNXBMFYSA-N 0 0 435.656 3.987 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(C(C)C)n1 ZINC000011695206 557393222 /nfs/dbraw/zinc/39/32/22/557393222.db2.gz AMDAMFUPFOUPHN-CYBMUJFWSA-N 0 0 430.983 3.527 50 0 IHAARN CN(C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000011696064 557394260 /nfs/dbraw/zinc/39/42/60/557394260.db2.gz HZGOPKALGXBJRW-UHFFFAOYSA-N 0 0 429.929 3.589 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3)c12 ZINC000011696203 557394454 /nfs/dbraw/zinc/39/44/54/557394454.db2.gz AEQWERVTOOSHCD-OAHLLOKOSA-N 0 0 444.582 3.500 50 0 IHAARN O=C(CSCc1cc(=O)n2cc(Br)ccc2n1)NCCC1=CCCCC1 ZINC000024066125 557394638 /nfs/dbraw/zinc/39/46/38/557394638.db2.gz UQYQPYLENYRGMB-UHFFFAOYSA-N 0 0 436.375 3.697 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCCC1 ZINC000013845256 557395614 /nfs/dbraw/zinc/39/56/14/557395614.db2.gz IXCORKJDZWJZCC-UHFFFAOYSA-N 0 0 441.322 3.933 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000013955769 557397477 /nfs/dbraw/zinc/39/74/77/557397477.db2.gz OCTLHFYRVAEWDG-SJLPKXTDSA-N 0 0 429.590 3.575 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000033470324 557401178 /nfs/dbraw/zinc/40/11/78/557401178.db2.gz DSHBYTAOAZYUDM-UHFFFAOYSA-N 0 0 430.526 3.583 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12)c1ccccc1 ZINC000100486754 557409076 /nfs/dbraw/zinc/40/90/76/557409076.db2.gz NXTDRLQETVSXKY-CTNGQTDRSA-N 0 0 429.863 3.957 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CC(=O)NCc1cccnc1)n2Cc1ccc(Cl)cc1 ZINC000033559413 557411679 /nfs/dbraw/zinc/41/16/79/557411679.db2.gz MARSRMKPHKBVBL-UHFFFAOYSA-N 0 0 448.910 3.779 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000102914501 557412307 /nfs/dbraw/zinc/41/23/07/557412307.db2.gz UITDEGKNHFENLB-YTFSRNRJSA-N 0 0 442.471 3.833 50 0 IHAARN CCOC(=O)C(=C([O-])CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034780 557415989 /nfs/dbraw/zinc/41/59/89/557415989.db2.gz GPKYJLXIGJXWTR-LBPRGKRZSA-N 0 0 445.353 3.809 50 0 IHAARN C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nc2ccccc2n1C ZINC000223228892 557448700 /nfs/dbraw/zinc/44/87/00/557448700.db2.gz MKLRCLJZDKUJKX-CQSZACIVSA-N 0 0 446.960 3.648 50 0 IHAARN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(Br)cc2F)n1 ZINC000096379746 557451663 /nfs/dbraw/zinc/45/16/63/557451663.db2.gz KBGMZHFBUSDITR-UHFFFAOYSA-N 0 0 429.271 3.692 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1 ZINC000096331485 557451889 /nfs/dbraw/zinc/45/18/89/557451889.db2.gz HXRJCEFMGAEBIF-UHFFFAOYSA-N 0 0 446.486 3.541 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1=O ZINC000014800574 557456742 /nfs/dbraw/zinc/45/67/42/557456742.db2.gz ISDCLLSUTOUYAQ-UHFFFAOYSA-N 0 0 444.322 3.920 50 0 IHAARN CCOc1ccc(CN(C(=O)c2ccc(C)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878066 557457624 /nfs/dbraw/zinc/45/76/24/557457624.db2.gz LNRDALLUYHPHIL-UHFFFAOYSA-N 0 0 431.496 3.589 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)c1 ZINC000245258136 557461964 /nfs/dbraw/zinc/46/19/64/557461964.db2.gz KXMISFNZOIUNND-SPYBWZPUSA-N 0 0 434.558 3.514 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000105009440 557472038 /nfs/dbraw/zinc/47/20/38/557472038.db2.gz QUHGQWVQCBZIRV-BJKOFHAPSA-N 0 0 449.551 3.791 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3cccc(Cl)c3)nc3cccnc32)c1 ZINC000047146186 557517488 /nfs/dbraw/zinc/51/74/88/557517488.db2.gz CLQRLIWCHCWERS-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN O=C1CCC[C@]2(O)[C@@H]1[C@@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 ZINC000013144283 557521756 /nfs/dbraw/zinc/52/17/56/557521756.db2.gz WZFPULSDAOVPET-ZVDOUQERSA-N 0 0 429.314 3.773 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2ccc(Br)cc2s1 ZINC000012080558 557528078 /nfs/dbraw/zinc/52/80/78/557528078.db2.gz SXTPJAXDADJMHL-UHFFFAOYSA-N 0 0 425.329 3.861 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1 ZINC000012180611 557528821 /nfs/dbraw/zinc/52/88/21/557528821.db2.gz XOVPOACJCSMJQT-UHFFFAOYSA-N 0 0 445.501 3.619 50 0 IHAARN CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000108479941 557542950 /nfs/dbraw/zinc/54/29/50/557542950.db2.gz OMAFYZQCQUQKKF-VQIMIIECSA-N 0 0 433.915 3.579 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000045351162 557543401 /nfs/dbraw/zinc/54/34/01/557543401.db2.gz DLOOVGRWCRWPOF-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1OC ZINC000045702736 557545226 /nfs/dbraw/zinc/54/52/26/557545226.db2.gz QJZVZHBAIRAQSB-CRAIPNDOSA-N 0 0 430.932 3.626 50 0 IHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000045899479 557546212 /nfs/dbraw/zinc/54/62/12/557546212.db2.gz GYBWBVRGPRTNCL-UHFFFAOYSA-N 0 0 441.531 3.578 50 0 IHAARN CCOc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(CC)cc4)nn32)cc1 ZINC000045939069 557548234 /nfs/dbraw/zinc/54/82/34/557548234.db2.gz OEYUVIFQZZXYLG-UHFFFAOYSA-N 0 0 449.536 3.777 50 0 IHAARN CCOc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N(CC)CC)cc21 ZINC000045960896 557555074 /nfs/dbraw/zinc/55/50/74/557555074.db2.gz UPOFRGACQPULKJ-UHFFFAOYSA-N 0 0 441.553 3.645 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCC1=CCCCC1)C(=O)CS2 ZINC000045960899 557555111 /nfs/dbraw/zinc/55/51/11/557555111.db2.gz ZZPMZZGUEHUDFX-UHFFFAOYSA-N 0 0 429.586 3.614 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 ZINC000045961447 557555308 /nfs/dbraw/zinc/55/53/08/557555308.db2.gz LEFTTZUBORZEDC-MRXNPFEDSA-N 0 0 434.521 3.519 50 0 IHAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCc4cc(F)cc(F)c4)n3n2)cc1OC ZINC000045972189 557555713 /nfs/dbraw/zinc/55/57/13/557555713.db2.gz BESSAQHGQSAXAS-UHFFFAOYSA-N 0 0 430.436 3.672 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccccc5)no4)n3n2)cc1 ZINC000045972089 557555794 /nfs/dbraw/zinc/55/57/94/557555794.db2.gz NROMZQQMSVLUIW-UHFFFAOYSA-N 0 0 430.493 3.989 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000000841992 557693667 /nfs/dbraw/zinc/69/36/67/557693667.db2.gz GMCHMIAPWREGBP-XDJZYPBNSA-N 0 0 425.484 3.856 50 0 IHAARN COc1ccc(CCC2CCN(Cn3ncc4cn(-c5ccccc5)nc4c3=O)CC2)cc1 ZINC000040149268 557703416 /nfs/dbraw/zinc/70/34/16/557703416.db2.gz IIOJAFFMSMORLV-UHFFFAOYSA-N 0 0 443.551 3.893 50 0 IHAARN O=C(NCc1ccncc1)Nc1cccc(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000225408275 557719379 /nfs/dbraw/zinc/71/93/79/557719379.db2.gz ZKZYEKOCZKABHU-JOCHJYFZSA-N 0 0 431.475 3.540 50 0 IHAARN C[C@H](CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000225483972 557728316 /nfs/dbraw/zinc/72/83/16/557728316.db2.gz BFAAVESLEJLEOG-MRXNPFEDSA-N 0 0 427.932 3.659 50 0 IHAARN COc1cccc2sc(NC(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)nc21 ZINC000225579862 557746348 /nfs/dbraw/zinc/74/63/48/557746348.db2.gz ISYXAVFHASVPEE-HZPDHXFCSA-N 0 0 448.504 3.835 50 0 IHAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)cc1OCC ZINC000040513376 557771587 /nfs/dbraw/zinc/77/15/87/557771587.db2.gz GECSTHGIFKMADF-JOCHJYFZSA-N 0 0 437.492 3.745 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccco4)cc3n2)cc1OC ZINC000000844978 557828529 /nfs/dbraw/zinc/82/85/29/557828529.db2.gz JRGHRLVWXOQJGK-UHFFFAOYSA-N 0 0 446.385 3.955 50 0 IHAARN Cc1ccncc1NC(=O)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000240412798 557845277 /nfs/dbraw/zinc/84/52/77/557845277.db2.gz FNXSWIPCRKQMMK-UHFFFAOYSA-N 0 0 434.681 3.773 50 0 IHAARN COc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1OC ZINC000242178853 557847270 /nfs/dbraw/zinc/84/72/70/557847270.db2.gz XBLGRBRFPSMUDF-RBUKOAKNSA-N 0 0 426.513 3.837 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc(OC)c1OC ZINC000000874144 557847968 /nfs/dbraw/zinc/84/79/68/557847968.db2.gz UHNVXVHWRYYJMQ-UHFFFAOYSA-N 0 0 442.541 3.856 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000000879012 557848692 /nfs/dbraw/zinc/84/86/92/557848692.db2.gz WNNRZOCOOCUVJK-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN CCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000885147 557855310 /nfs/dbraw/zinc/85/53/10/557855310.db2.gz SGAKIQXYNUBFET-UHFFFAOYSA-N 0 0 438.549 3.957 50 0 IHAARN CCOc1ccc(CCC2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000025054148 557857288 /nfs/dbraw/zinc/85/72/88/557857288.db2.gz CLTDROJMIZZHKD-UHFFFAOYSA-N 0 0 431.558 3.609 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4c(-c5ccsc5)cnn43)C(=O)N1CC2 ZINC000001390390 562921662 /nfs/dbraw/zinc/92/16/62/562921662.db2.gz PTMKTZCMJGNIOU-GOSISDBHSA-N 0 0 432.505 3.771 50 0 IHAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000002156788 562926084 /nfs/dbraw/zinc/92/60/84/562926084.db2.gz LCDZIVQXIKMJTE-WJGUHTKASA-N 0 0 447.535 3.669 50 0 biogenic IHAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2 ZINC000002619044 562928464 /nfs/dbraw/zinc/92/84/64/562928464.db2.gz VYYKPJBFJUHMNG-UHFFFAOYSA-N 0 0 448.504 3.724 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1 ZINC000002940487 562930949 /nfs/dbraw/zinc/93/09/49/562930949.db2.gz PNSIAEWDFPLOKC-UHFFFAOYSA-N 0 0 430.751 3.625 50 0 IHAARN CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000002944423 562931041 /nfs/dbraw/zinc/93/10/41/562931041.db2.gz VBJDWXFOMWSFLB-IBGZPJMESA-N 0 0 440.540 3.709 50 0 biogenic IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003024558 562931800 /nfs/dbraw/zinc/93/18/00/562931800.db2.gz SIDHNHXRHRVNBJ-UHFFFAOYSA-N 0 0 426.469 3.838 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2)cc1OC ZINC000004034356 562940807 /nfs/dbraw/zinc/94/08/07/562940807.db2.gz KQQVLLMQQAJDIF-RUZDIDTESA-N 0 0 436.552 3.991 50 0 IHAARN CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 ZINC000004034834 562941012 /nfs/dbraw/zinc/94/10/12/562941012.db2.gz USBFEPXVZKJDSA-HNNXBMFYSA-N 0 0 446.573 3.766 50 0 IHAARN CCSc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)C(F)F)s1 ZINC000004077876 562941515 /nfs/dbraw/zinc/94/15/15/562941515.db2.gz XVACGDDLEMVDMO-IUCAKERBSA-N 0 0 429.461 3.839 50 0 IHAARN Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc(-c3ccco3)nc2n(C)c1=O ZINC000004143463 562942285 /nfs/dbraw/zinc/94/22/85/562942285.db2.gz WZXLTFXMRAZJEO-UHFFFAOYSA-N 0 0 448.426 3.598 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000004262967 562942925 /nfs/dbraw/zinc/94/29/25/562942925.db2.gz FHZULVPZEUCLDY-FQEVSTJZSA-N 0 0 425.485 3.596 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000006577609 562947757 /nfs/dbraw/zinc/94/77/57/562947757.db2.gz BSQMIGGBRFZCHW-LJAQVGFWSA-N 0 0 432.929 3.877 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000007991209 562948672 /nfs/dbraw/zinc/94/86/72/562948672.db2.gz DWBQWYOYMFYVRN-RWGOJESNSA-N 0 0 426.513 3.538 50 0 IHAARN CCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000008583199 562949754 /nfs/dbraw/zinc/94/97/54/562949754.db2.gz GRHOAZJKYRLJKB-DEOSSOPVSA-N 0 0 446.588 3.955 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)NCc1ccc(C)cc1)nc2C ZINC000008583937 562949957 /nfs/dbraw/zinc/94/99/57/562949957.db2.gz OLVGKCBYMSMKMN-UHFFFAOYSA-N 0 0 429.524 3.604 50 0 IHAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1C ZINC000008589674 562951348 /nfs/dbraw/zinc/95/13/48/562951348.db2.gz WXLYRSZNVHFBOT-UHFFFAOYSA-N 0 0 437.565 3.848 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)NCCCN(CC)c3ccccc3)c(=O)c21 ZINC000008591491 562952060 /nfs/dbraw/zinc/95/20/60/562952060.db2.gz XEXAPGOESQQAQU-UHFFFAOYSA-N 0 0 445.567 3.794 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCc1ccccc1 ZINC000008591902 562952143 /nfs/dbraw/zinc/95/21/43/562952143.db2.gz KDJQJVGHEZXWBM-UHFFFAOYSA-N 0 0 447.560 3.764 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1ccccc1)n2C ZINC000008591741 562952167 /nfs/dbraw/zinc/95/21/67/562952167.db2.gz QPQNUOGSNSFFLL-UHFFFAOYSA-N 0 0 425.488 3.760 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000008596415 562953755 /nfs/dbraw/zinc/95/37/55/562953755.db2.gz RPRYIFLBWBUDHE-UHFFFAOYSA-N 0 0 447.354 3.718 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)C1 ZINC000008599778 562954856 /nfs/dbraw/zinc/95/48/56/562954856.db2.gz CGRWTYRKCZZRMD-INIZCTEOSA-N 0 0 437.521 3.964 50 0 IHAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(-c2ccc(F)cc2)c1=O)NC1CCCC1 ZINC000008604008 562956255 /nfs/dbraw/zinc/95/62/55/562956255.db2.gz SLYNRAOOCLEKMB-UHFFFAOYSA-N 0 0 437.496 3.565 50 0 IHAARN CCOc1ccc(N2C[C@H](c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)CC2=O)cc1 ZINC000008605162 562956626 /nfs/dbraw/zinc/95/66/26/562956626.db2.gz MTZVACCZKQRVAT-OAHLLOKOSA-N 0 0 439.468 3.682 50 0 IHAARN CCCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000008612257 562959062 /nfs/dbraw/zinc/95/90/62/562959062.db2.gz DHGZPPVRMZTQTO-UHFFFAOYSA-N 0 0 429.516 3.949 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000008613137 562959380 /nfs/dbraw/zinc/95/93/80/562959380.db2.gz HHHKSVMRDCECTF-GOSISDBHSA-N 0 0 446.569 3.832 50 0 IHAARN COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008613654 562959405 /nfs/dbraw/zinc/95/94/05/562959405.db2.gz RDRUXBFRWTYRIL-UHFFFAOYSA-N 0 0 431.901 3.673 50 0 IHAARN CN(C)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000008613807 562959475 /nfs/dbraw/zinc/95/94/75/562959475.db2.gz KPCWKAQLONBFIH-CQSZACIVSA-N 0 0 439.585 3.709 50 0 IHAARN CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1ccc(OC)cc1 ZINC000008666974 562960585 /nfs/dbraw/zinc/96/05/85/562960585.db2.gz NZAQJUYISUOJNK-UHFFFAOYSA-N 0 0 449.536 3.724 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccc(C)cc3)C(C)C)cc2s1 ZINC000008671659 562960938 /nfs/dbraw/zinc/96/09/38/562960938.db2.gz WRPIWOMKWASIOY-HXUWFJFHSA-N 0 0 431.583 3.532 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccco2)cc1 ZINC000008696106 562963704 /nfs/dbraw/zinc/96/37/04/562963704.db2.gz UBIHHMDQMJEJLR-LAUBAEHRSA-N 0 0 434.558 3.564 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4ccccn4)ccc32)cc1 ZINC000008791161 562964239 /nfs/dbraw/zinc/96/42/39/562964239.db2.gz YPBINYWGYJDKCF-MRXNPFEDSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000008829604 562964639 /nfs/dbraw/zinc/96/46/39/562964639.db2.gz NUYDRUODEKYWAI-UHFFFAOYSA-N 0 0 434.583 3.799 50 0 IHAARN Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(C)c3cc12 ZINC000008877060 562965610 /nfs/dbraw/zinc/96/56/10/562965610.db2.gz OSNXXZKKAYRWTL-SJORKVTESA-N 0 0 444.487 3.506 50 0 biogenic IHAARN O=C1C[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(Cl)cc1 ZINC000009036788 562966659 /nfs/dbraw/zinc/96/66/59/562966659.db2.gz JWQSMPHIKLOFAC-LBPRGKRZSA-N 0 0 432.851 3.690 50 0 IHAARN Cc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 ZINC000009276479 562968734 /nfs/dbraw/zinc/96/87/34/562968734.db2.gz LOUXQBLNNNNEHB-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN CSc1ccccc1NC(=O)CN(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009459871 562971459 /nfs/dbraw/zinc/97/14/59/562971459.db2.gz NEALTRXUGBESPF-UHFFFAOYSA-N 0 0 440.569 3.750 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1 ZINC000009467696 562971719 /nfs/dbraw/zinc/97/17/19/562971719.db2.gz RARQNNWFFDECOR-QGZVFWFLSA-N 0 0 439.537 3.715 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000009580437 562973548 /nfs/dbraw/zinc/97/35/48/562973548.db2.gz OCTUWXTWTWUKLO-UHFFFAOYSA-N 0 0 430.423 3.978 50 0 IHAARN C[NH+](C)CCn1cc(C(=O)c2cc(Cl)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000009645022 562974735 /nfs/dbraw/zinc/97/47/35/562974735.db2.gz MQUVCNMAONPUBP-UHFFFAOYSA-N 0 0 436.899 3.543 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713493 562975703 /nfs/dbraw/zinc/97/57/03/562975703.db2.gz JRZYCIBKPSYREO-UHFFFAOYSA-N 0 0 426.542 3.870 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000009715106 562975883 /nfs/dbraw/zinc/97/58/83/562975883.db2.gz ZGUGJVFHBCGJQB-UHFFFAOYSA-N 0 0 433.489 3.698 50 0 IHAARN C[C@@H](Oc1ccccc1F)c1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000009729684 562976169 /nfs/dbraw/zinc/97/61/69/562976169.db2.gz TTWQVAVOMHZGOB-OLZOCXBDSA-N 0 0 445.472 3.874 50 0 IHAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009799344 562976981 /nfs/dbraw/zinc/97/69/81/562976981.db2.gz CKYMHJURTYHKQL-UHFFFAOYSA-N 0 0 427.448 3.541 50 0 IHAARN CCOc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(OC(F)F)cc2)C(C)C)cc1 ZINC000009832049 562977351 /nfs/dbraw/zinc/97/73/51/562977351.db2.gz VSKJMXVEIMUIPE-HXUWFJFHSA-N 0 0 434.483 3.800 50 0 IHAARN COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1cccs1 ZINC000010021882 562978312 /nfs/dbraw/zinc/97/83/12/562978312.db2.gz ONEKAFADBGWSCT-UHFFFAOYSA-N 0 0 430.551 3.611 50 0 IHAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)n2)c1 ZINC000011783713 562979281 /nfs/dbraw/zinc/97/92/81/562979281.db2.gz VNWLPLRHGAVMTN-UHFFFAOYSA-N 0 0 426.480 3.540 50 0 IHAARN COc1cccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1 ZINC000015590131 563017872 /nfs/dbraw/zinc/01/78/72/563017872.db2.gz JFUAIEXWWXTZIZ-UHFFFAOYSA-N 0 0 447.944 3.760 50 0 IHAARN C[C@H](NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 ZINC000015936725 563018997 /nfs/dbraw/zinc/01/89/97/563018997.db2.gz QUDPNFLNNQYUFR-SFHVURJKSA-N 0 0 425.554 3.693 50 0 IHAARN Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000015944404 563020231 /nfs/dbraw/zinc/02/02/31/563020231.db2.gz MWHRWWDGXGKCSG-SSEXGKCCSA-N 0 0 446.912 3.597 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000031348064 563083215 /nfs/dbraw/zinc/08/32/15/563083215.db2.gz XTRMBDPGZWHKGK-UHFFFAOYSA-N 0 0 444.482 3.696 50 0 IHAARN Cc1cccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1C ZINC000056949806 563143042 /nfs/dbraw/zinc/14/30/42/563143042.db2.gz XEALFWMWWCOKBQ-UHFFFAOYSA-N 0 0 447.535 3.596 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 ZINC000018410922 568624661 /nfs/dbraw/zinc/62/46/61/568624661.db2.gz HXGCFWPGADJFRW-WHEQGISXSA-N 0 0 425.872 3.731 50 0 IHAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(OC)cc2)cc1 ZINC000086066337 568644404 /nfs/dbraw/zinc/64/44/04/568644404.db2.gz KLHGNKPVKDMOTO-UHFFFAOYSA-N 0 0 431.496 3.995 50 0 IHAARN COc1ccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2cccc(C)c2)cc1OC ZINC000086066277 568644410 /nfs/dbraw/zinc/64/44/10/568644410.db2.gz KSVNCYWDAFIZKL-UHFFFAOYSA-N 0 0 431.496 3.914 50 0 IHAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000976866 568648044 /nfs/dbraw/zinc/64/80/44/568648044.db2.gz WABPOJBLJSACAD-UHFFFAOYSA-N 0 0 439.541 3.736 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 ZINC000000979242 568648609 /nfs/dbraw/zinc/64/86/09/568648609.db2.gz GAMCNWBXPVQUKW-FRQCXROJSA-N 0 0 448.972 3.849 50 0 IHAARN CC[C@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000001019435 568651309 /nfs/dbraw/zinc/65/13/09/568651309.db2.gz ZBFDLRRSWNRJNQ-INIZCTEOSA-N 0 0 432.347 3.993 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1Cl ZINC000001012534 568651945 /nfs/dbraw/zinc/65/19/45/568651945.db2.gz HPCOJMPVTAOJSF-UHFFFAOYSA-N 0 0 446.931 3.986 50 0 IHAARN COc1ccccc1/C=C1/N=C(c2cc(I)ccc2Cl)NC1=O ZINC000001058930 568655302 /nfs/dbraw/zinc/65/53/02/568655302.db2.gz QQOUCHMZUKMRLY-RIYZIHGNSA-N 0 0 438.652 3.871 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)CC3 ZINC000025451265 568658944 /nfs/dbraw/zinc/65/89/44/568658944.db2.gz ZMUIKQYNLAGFDB-LJQANCHMSA-N 0 0 434.492 3.711 50 0 IHAARN CCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000001104194 568660636 /nfs/dbraw/zinc/66/06/36/568660636.db2.gz LIUCQDUBXSXXGN-UHFFFAOYSA-N 0 0 438.549 3.769 50 0 IHAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000257359082 568731546 /nfs/dbraw/zinc/73/15/46/568731546.db2.gz YIMYGERTFGJMJP-FNSZOJEPSA-N 0 0 432.557 3.556 50 0 IHAARN COc1ccc([C@H]2C[C@@H](C(=O)NCc3cccc(C)c3)CN(C(=O)C3CC3)C2)cc1OC ZINC000034710026 568732550 /nfs/dbraw/zinc/73/25/50/568732550.db2.gz YFFOBKNPCRYCIW-FCHUYYIVSA-N 0 0 436.552 3.671 50 0 IHAARN COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1I ZINC000001173147 568735717 /nfs/dbraw/zinc/73/57/17/568735717.db2.gz FNDGSSQYPKEGQL-UHFFFAOYSA-N 0 0 430.625 3.993 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C ZINC000025600881 568737172 /nfs/dbraw/zinc/73/71/72/568737172.db2.gz JEVDGRMKMPROTQ-JTQLQIEISA-N 0 0 434.279 3.883 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c(OC)c1 ZINC000001210913 568737975 /nfs/dbraw/zinc/73/79/75/568737975.db2.gz ZIHJLVVOCAKKKC-UHFFFAOYSA-N 0 0 428.400 3.673 50 0 IHAARN O=C(Nc1cccc2ncccc21)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063228378 568738119 /nfs/dbraw/zinc/73/81/19/568738119.db2.gz LHRUPGUXRURNRO-LJQANCHMSA-N 0 0 440.297 3.536 50 0 IHAARN O=S(=O)(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000063199726 568738290 /nfs/dbraw/zinc/73/82/90/568738290.db2.gz CQDDFVMSOJOKLK-UHFFFAOYSA-N 0 0 444.336 3.749 50 0 IHAARN CC(C)(C)[C@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccc(I)cc1 ZINC000001212661 568738679 /nfs/dbraw/zinc/73/86/79/568738679.db2.gz ICKKFJGUMFIJEE-CQSZACIVSA-N 0 0 440.203 3.790 50 0 IHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000005986943 568739897 /nfs/dbraw/zinc/73/98/97/568739897.db2.gz PKHUEAJZOIHKEP-UHFFFAOYSA-N 0 0 447.497 3.835 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000001223914 568741976 /nfs/dbraw/zinc/74/19/76/568741976.db2.gz JFWISGWVSPNDKH-UHFFFAOYSA-N 0 0 449.488 3.555 50 0 IHAARN Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(=O)N3CCCCCC3)c(=O)c12 ZINC000001980762 568742357 /nfs/dbraw/zinc/74/23/57/568742357.db2.gz BXVLORHZCLUGRP-UHFFFAOYSA-N 0 0 439.537 3.526 50 0 IHAARN O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000003275678 568744826 /nfs/dbraw/zinc/74/48/26/568744826.db2.gz QNYDDNQGBNHGQX-UHFFFAOYSA-N 0 0 446.670 3.614 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000003357090 568746853 /nfs/dbraw/zinc/74/68/53/568746853.db2.gz COGJAZDFZGOTPE-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC ZINC000003401279 568748500 /nfs/dbraw/zinc/74/85/00/568748500.db2.gz RYVZTONXVQZGFL-CYBMUJFWSA-N 0 0 426.498 3.822 50 0 IHAARN COCCCNC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003415468 568748761 /nfs/dbraw/zinc/74/87/61/568748761.db2.gz DKSBGDSUFUCDDS-UHFFFAOYSA-N 0 0 438.977 3.695 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2-c2ccc(C)cc2)c1 ZINC000003427207 568748897 /nfs/dbraw/zinc/74/88/97/568748897.db2.gz VGWBZJCFPUJMMD-HXUWFJFHSA-N 0 0 438.553 3.639 50 0 IHAARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)cc1 ZINC000044166647 568749327 /nfs/dbraw/zinc/74/93/27/568749327.db2.gz KPEFOVLXYAGRJE-UHFFFAOYSA-N 0 0 430.489 3.875 50 0 IHAARN COC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccc(F)cc2)=N1 ZINC000003618103 568751513 /nfs/dbraw/zinc/75/15/13/568751513.db2.gz PBIRLXWFIBNXAA-HNNXBMFYSA-N 0 0 432.171 3.524 50 0 IHAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000003655688 568753382 /nfs/dbraw/zinc/75/33/82/568753382.db2.gz DNAZUSBZNUSBLP-GOSISDBHSA-N 0 0 435.461 3.802 50 0 IHAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000299768973 568756414 /nfs/dbraw/zinc/75/64/14/568756414.db2.gz HOOXRILCIYMHBG-BERHBOFZSA-N 0 0 445.563 3.707 50 0 IHAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(O)c2)C(Cl)(Cl)Cl)cc1 ZINC000001232174 568759854 /nfs/dbraw/zinc/75/98/54/568759854.db2.gz GPKPFVQMVUFMPL-OAHLLOKOSA-N 0 0 448.759 3.814 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1 ZINC000001244147 568774736 /nfs/dbraw/zinc/77/47/36/568774736.db2.gz KDIHKOJVKFRYSX-KRWDZBQOSA-N 0 0 439.331 3.577 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)cc1 ZINC000001244390 568774768 /nfs/dbraw/zinc/77/47/68/568774768.db2.gz JLXZLEIIEPUYBY-UHFFFAOYSA-N 0 0 429.567 3.886 50 0 IHAARN CCOc1cccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 ZINC000263615289 568775954 /nfs/dbraw/zinc/77/59/54/568775954.db2.gz BPNDSAGSCPWSAX-LJQANCHMSA-N 0 0 433.556 3.540 50 0 IHAARN Cc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(Br)cc2)C3)c1 ZINC000263615873 568776238 /nfs/dbraw/zinc/77/62/38/568776238.db2.gz FQUXRCDSVMEWIK-GOSISDBHSA-N 0 0 427.302 3.551 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(Br)c4)ccn3n2)c1 ZINC000263616343 568776545 /nfs/dbraw/zinc/77/65/45/568776545.db2.gz IEGNFOIDJFKYOG-FQEVSTJZSA-N 0 0 440.297 3.668 50 0 IHAARN Cc1ccc(-c2nn3ccn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)c3c2CO)cc1 ZINC000263618526 568777689 /nfs/dbraw/zinc/77/76/89/568777689.db2.gz UEWURUGKVZIGGK-UHFFFAOYSA-N 0 0 430.508 3.726 50 0 IHAARN COc1ccc([C@@H](O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)cc1 ZINC000263619176 568777815 /nfs/dbraw/zinc/77/78/15/568777815.db2.gz XIIRCNCZBRNZHI-FQEVSTJZSA-N 0 0 440.297 3.668 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c1 ZINC000263618283 568778233 /nfs/dbraw/zinc/77/82/33/568778233.db2.gz SBHJNZFNCFYARP-HXUWFJFHSA-N 0 0 426.448 3.738 50 0 IHAARN Cc1cc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)no1 ZINC000025732390 568778491 /nfs/dbraw/zinc/77/84/91/568778491.db2.gz ZJVWVZOPTRCEHO-UHFFFAOYSA-N 0 0 441.509 3.510 50 0 IHAARN C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3)C(=O)Nc1ccccc1 ZINC000001295230 568778551 /nfs/dbraw/zinc/77/85/51/568778551.db2.gz MAGQQRNLACSGMW-GFCCVEGCSA-N 0 0 429.567 3.966 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)N[C@H](C)CCc4ccccc4)n3)ccc12 ZINC000032103353 568780796 /nfs/dbraw/zinc/78/07/96/568780796.db2.gz PUEQVPGXERKEBB-MRXNPFEDSA-N 0 0 433.464 3.815 50 0 biogenic IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)cc2)C12CCCC2 ZINC000032103226 568780808 /nfs/dbraw/zinc/78/08/08/568780808.db2.gz VCYSTGGHACEHST-QHCPKHFHSA-N 0 0 436.552 3.553 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)cc2)C12CCCC2 ZINC000032103228 568780849 /nfs/dbraw/zinc/78/08/49/568780849.db2.gz VCYSTGGHACEHST-HSZRJFAPSA-N 0 0 436.552 3.553 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)cc(OC)c2)C12CCCC2 ZINC000032103410 568780879 /nfs/dbraw/zinc/78/08/79/568780879.db2.gz FLWSZLVBTQWDPO-JOCHJYFZSA-N 0 0 438.524 3.841 50 0 IHAARN COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)ccc1NC(N)=O ZINC000083923435 568785716 /nfs/dbraw/zinc/78/57/16/568785716.db2.gz VQOPTTXFFGDISR-UHFFFAOYSA-N 0 0 434.431 3.554 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 ZINC000019190817 568789588 /nfs/dbraw/zinc/78/95/88/568789588.db2.gz HWCUARGHRPAJDP-HNNXBMFYSA-N 0 0 430.482 3.855 50 0 IHAARN COCc1nc2sc(C(=O)N(C[C@H](O)c3ccc(F)cc3)C3CC3)c(C)c2c(OC)n1 ZINC000084066839 568791062 /nfs/dbraw/zinc/79/10/62/568791062.db2.gz HUPVZYHNBQKOPD-INIZCTEOSA-N 0 0 445.516 3.632 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000001420927 568792985 /nfs/dbraw/zinc/79/29/85/568792985.db2.gz PVJQQRXPJUYXFU-UHFFFAOYSA-N 0 0 448.500 3.566 50 0 IHAARN CCOC(=O)c1cn(Nc2cc3nccnc3cc2F)c2c(F)c(F)c(F)cc2c1=O ZINC000001424416 568793779 /nfs/dbraw/zinc/79/37/79/568793779.db2.gz KRBBIHXPXNTMNA-UHFFFAOYSA-N 0 0 432.333 3.553 50 0 IHAARN CC[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000001432407 568795272 /nfs/dbraw/zinc/79/52/72/568795272.db2.gz ZUDLOIYSKQSZHT-INIZCTEOSA-N 0 0 443.960 3.626 50 0 IHAARN O=C(CN1CCCCCCC1=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000084343962 568797144 /nfs/dbraw/zinc/79/71/44/568797144.db2.gz MNQACXPCWXLPES-UHFFFAOYSA-N 0 0 436.339 3.935 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000084404968 568797808 /nfs/dbraw/zinc/79/78/08/568797808.db2.gz QWVYJZWSKOTQMH-OAHLLOKOSA-N 0 0 430.284 3.855 50 0 IHAARN O=C(Nc1cccnc1)C1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000084560197 568798826 /nfs/dbraw/zinc/79/88/26/568798826.db2.gz ZXNJKAKIZSJSSM-UHFFFAOYSA-N 0 0 445.548 3.897 50 0 IHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1cnc2ccccc2c1=O ZINC000015647856 568800946 /nfs/dbraw/zinc/80/09/46/568800946.db2.gz RULCLKRWHIVHHU-UHFFFAOYSA-N 0 0 447.322 3.581 50 0 IHAARN CCOC(=O)[C@H](CNC(=O)c1cnc(C)c(Br)c1Cl)Cc1ccccc1 ZINC000084791189 568801211 /nfs/dbraw/zinc/80/12/11/568801211.db2.gz KLIYOVOYRYZWIK-AWEZNQCLSA-N 0 0 439.737 3.958 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3OC)n2)cc1 ZINC000015670178 568802188 /nfs/dbraw/zinc/80/21/88/568802188.db2.gz NDOYYHPXDSJYMD-GOSISDBHSA-N 0 0 442.479 3.524 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCCc1ccccc1 ZINC000015722252 568812105 /nfs/dbraw/zinc/81/21/05/568812105.db2.gz JOGJCNIVTUGKLD-UHFFFAOYSA-N 0 0 439.581 3.565 50 0 IHAARN CN1c2cc(Cl)ccc2-c2nc(SCC(=O)Nc3ccccc3)ncc2S1(=O)=O ZINC000015731797 568815106 /nfs/dbraw/zinc/81/51/06/568815106.db2.gz DQRMSDOHAVZTLQ-UHFFFAOYSA-N 0 0 446.941 3.666 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733798 568816100 /nfs/dbraw/zinc/81/61/00/568816100.db2.gz JSSSDNZAPWVMGZ-UHFFFAOYSA-N 0 0 437.565 3.502 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C ZINC000015734401 568816306 /nfs/dbraw/zinc/81/63/06/568816306.db2.gz DFFFYEMJKUCMPB-UHFFFAOYSA-N 0 0 434.544 3.768 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000001456987 568819149 /nfs/dbraw/zinc/81/91/49/568819149.db2.gz LQDZWXXVCYJGLG-UHFFFAOYSA-N 0 0 437.323 3.512 50 0 IHAARN CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OC(=O)c1ccccc1 ZINC000001467268 568820428 /nfs/dbraw/zinc/82/04/28/568820428.db2.gz IJHCNRSFGPOSKC-FQEVSTJZSA-N 0 0 440.521 3.613 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn32)c1 ZINC000015776666 568823934 /nfs/dbraw/zinc/82/39/34/568823934.db2.gz MFRTUEZFEZCJSW-UHFFFAOYSA-N 0 0 444.495 3.653 50 0 IHAARN COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc(Cl)cc4)nn32)cc1 ZINC000015776545 568823972 /nfs/dbraw/zinc/82/39/72/568823972.db2.gz IQGQCUDYUODVPU-UHFFFAOYSA-N 0 0 436.903 3.970 50 0 IHAARN Fc1cccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1F ZINC000015779723 568824945 /nfs/dbraw/zinc/82/49/45/568824945.db2.gz KSGKAYMVLQHSIZ-UHFFFAOYSA-N 0 0 439.485 3.779 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000015781386 568825771 /nfs/dbraw/zinc/82/57/71/568825771.db2.gz NUAFRLGICQYGCQ-UHFFFAOYSA-N 0 0 428.963 3.633 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1 ZINC000015784005 568826757 /nfs/dbraw/zinc/82/67/57/568826757.db2.gz GETLTCUUXNZSRB-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1ccc(NC(=O)CN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)cc1F ZINC000015784111 568826775 /nfs/dbraw/zinc/82/67/75/568826775.db2.gz BDFBMLHAPALIMQ-UHFFFAOYSA-N 0 0 431.471 3.865 50 0 IHAARN CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n2)cc1 ZINC000085644342 568829254 /nfs/dbraw/zinc/82/92/54/568829254.db2.gz UMCOUMOVWBTTDS-UHFFFAOYSA-N 0 0 448.479 3.597 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cc(Cl)ccc5C)c(=O)n4ccn3n2)cc1 ZINC000085643111 568829439 /nfs/dbraw/zinc/82/94/39/568829439.db2.gz IRMIVBGMULAEFQ-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)N1CCc2ccccc21 ZINC000015824427 568840419 /nfs/dbraw/zinc/84/04/19/568840419.db2.gz WTZMHKWAOPHMLK-UHFFFAOYSA-N 0 0 436.537 3.757 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)NCCC(C)C)c3ccccc3S2(=O)=O)cc1C ZINC000015827062 568840807 /nfs/dbraw/zinc/84/08/07/568840807.db2.gz IOTSYLZPSDHNGL-UHFFFAOYSA-N 0 0 429.542 3.601 50 0 IHAARN Cc1cccc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)c1C ZINC000015827060 568840854 /nfs/dbraw/zinc/84/08/54/568840854.db2.gz AFOHOPFYZUCJRJ-UHFFFAOYSA-N 0 0 441.553 3.841 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](COC(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000043191273 568842930 /nfs/dbraw/zinc/84/29/30/568842930.db2.gz MLOALNZCDGUYKF-OAQYLSRUSA-N 0 0 438.505 3.774 50 0 IHAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O ZINC000015858668 568846773 /nfs/dbraw/zinc/84/67/73/568846773.db2.gz WVQSZRZPIPDHDC-UHFFFAOYSA-N 0 0 426.416 3.660 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCC2)CC1 ZINC000015863281 568849021 /nfs/dbraw/zinc/84/90/21/568849021.db2.gz BKRAZZQMBZBQBF-UHFFFAOYSA-N 0 0 431.540 3.715 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)Cc2cccc(OC)c2)c1C ZINC000015865641 568850609 /nfs/dbraw/zinc/85/06/09/568850609.db2.gz NLIXBZSEFBKKHE-HXUWFJFHSA-N 0 0 428.529 3.567 50 0 IHAARN CC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000015870087 568851512 /nfs/dbraw/zinc/85/15/12/568851512.db2.gz QKDGBDXWZMTXFU-UHFFFAOYSA-N 0 0 426.317 3.818 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 ZINC000015883368 568857586 /nfs/dbraw/zinc/85/75/86/568857586.db2.gz IUFCWVLIEYDFJT-UHFFFAOYSA-N 0 0 430.439 3.795 50 0 IHAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(Br)cc1 ZINC000015883531 568857828 /nfs/dbraw/zinc/85/78/28/568857828.db2.gz RXZRVOLMVMFZIG-UHFFFAOYSA-N 0 0 434.359 3.810 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000026130620 568859379 /nfs/dbraw/zinc/85/93/79/568859379.db2.gz NXLPNVMVXSDDCL-MRXNPFEDSA-N 0 0 428.558 3.593 50 0 IHAARN COc1cc2nc(=S)n3nc(COc4ccccc4Br)[nH]c3c2cc1OC ZINC000015974158 568861198 /nfs/dbraw/zinc/86/11/98/568861198.db2.gz SYRSWGKLEFOOKP-UHFFFAOYSA-N 0 0 447.314 3.925 50 0 IHAARN CCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1O ZINC000006181053 568867964 /nfs/dbraw/zinc/86/79/64/568867964.db2.gz LRXMKRWBKCVVAK-UHFFFAOYSA-N 0 0 441.553 3.663 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)cc3)co2)s1 ZINC000016047757 568869236 /nfs/dbraw/zinc/86/92/36/568869236.db2.gz LERBKFZUOAIPTE-UHFFFAOYSA-N 0 0 431.495 3.660 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)sc2c1 ZINC000016051184 568869546 /nfs/dbraw/zinc/86/95/46/568869546.db2.gz LQEPFGWFQCORHH-UHFFFAOYSA-N 0 0 439.946 3.851 50 0 IHAARN O=C(CCCCCNC(=O)c1cnccn1)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000575444021 568869669 /nfs/dbraw/zinc/86/96/69/568869669.db2.gz QUTWPSFNULWWBA-HSZRJFAPSA-N 0 0 442.523 3.549 50 0 IHAARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000012940737 568869685 /nfs/dbraw/zinc/86/96/85/568869685.db2.gz HLWMBEXPVGQRTC-ZDUSSCGKSA-N 0 0 446.385 3.673 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)N[C@H](CC(C)C)c1nnc2ccccn21 ZINC000575443970 568869786 /nfs/dbraw/zinc/86/97/86/568869786.db2.gz FIHDYCGUBQJXQI-LJQANCHMSA-N 0 0 435.528 3.613 50 0 IHAARN O=C(CN1C(=O)N[C@H](c2ccccc2)C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012943822 568870441 /nfs/dbraw/zinc/87/04/41/568870441.db2.gz JXPKDKDJYDOKRH-OAHLLOKOSA-N 0 0 445.319 3.956 50 0 IHAARN CCOc1cccc2cc(C(=O)NCCOc3ccc(-c4ccc(F)cc4)nn3)c(=O)oc21 ZINC000010509512 568884473 /nfs/dbraw/zinc/88/44/73/568884473.db2.gz MNKIJYVFYXJWBG-UHFFFAOYSA-N 0 0 449.438 3.597 50 0 IHAARN CCCCN(C(=O)CN1CCc2sccc2[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000229691090 568886906 /nfs/dbraw/zinc/88/69/06/568886906.db2.gz KRDLTYWHHFIDEY-AUSIDOKSSA-N 0 0 446.638 3.511 50 0 IHAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000090582612 568888287 /nfs/dbraw/zinc/88/82/87/568888287.db2.gz DNWSOWFHZIJIKS-UHFFFAOYSA-N 0 0 433.493 3.587 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)Nc3cc(N4CCCC4)ncn3)C2)nn1 ZINC000090592329 568888671 /nfs/dbraw/zinc/88/86/71/568888671.db2.gz WSGBUEPZEWAROT-LJQANCHMSA-N 0 0 443.555 3.697 50 0 IHAARN O=C(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1n[nH]c2c1CCCC2 ZINC000090591595 568888735 /nfs/dbraw/zinc/88/87/35/568888735.db2.gz WXPINDLJTJBTJE-UHFFFAOYSA-N 0 0 436.947 3.798 50 0 IHAARN O=C(Cc1ccc(Br)cc1)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593570 568888880 /nfs/dbraw/zinc/88/88/80/568888880.db2.gz VHVFZXNTWHUUQX-UHFFFAOYSA-N 0 0 442.269 3.728 50 0 IHAARN COc1ccccc1COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)ncn1 ZINC000090593704 568889141 /nfs/dbraw/zinc/88/91/41/568889141.db2.gz SBHZLIJIPZCYND-UHFFFAOYSA-N 0 0 433.443 3.856 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000012977794 568891355 /nfs/dbraw/zinc/89/13/55/568891355.db2.gz BEHSPRUKZBUUAP-QGZVFWFLSA-N 0 0 448.544 3.959 50 0 IHAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000090610585 568892301 /nfs/dbraw/zinc/89/23/01/568892301.db2.gz FFRAGJCOACTNFB-ZDUSSCGKSA-N 0 0 428.510 3.849 50 0 IHAARN Cc1c2cnn(CC(=O)N3CCC(C)CC3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000006807997 568893486 /nfs/dbraw/zinc/89/34/86/568893486.db2.gz TZZSACVPMUPFML-UHFFFAOYSA-N 0 0 426.948 3.775 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cccc(N2CCCC2=O)c1 ZINC000012980702 568893612 /nfs/dbraw/zinc/89/36/12/568893612.db2.gz MPAIVXNNBJOASO-UHFFFAOYSA-N 0 0 446.507 3.720 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012982526 568894853 /nfs/dbraw/zinc/89/48/53/568894853.db2.gz KDJFXIWFUIVMRL-QGZVFWFLSA-N 0 0 428.432 3.506 50 0 IHAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000013001463 568898987 /nfs/dbraw/zinc/89/89/87/568898987.db2.gz OLABGXPSEWQKLP-VIFPVBQESA-N 0 0 438.880 3.779 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\NCc3ccccn3)C2=O)cc1 ZINC000103004902 568900641 /nfs/dbraw/zinc/90/06/41/568900641.db2.gz QTEFXAWOMHUTFU-CJLVFECKSA-N 0 0 427.460 3.576 50 0 IHAARN CN(Cc1ccsc1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013014533 568901312 /nfs/dbraw/zinc/90/13/12/568901312.db2.gz VACBENZCRPRZEI-UHFFFAOYSA-N 0 0 428.579 3.961 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](NC(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 ZINC000524729173 568903578 /nfs/dbraw/zinc/90/35/78/568903578.db2.gz GZYZYDBVADMVHC-IBGZPJMESA-N 0 0 437.492 3.918 50 0 biogenic IHAARN CCOC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 ZINC000001774121 568906396 /nfs/dbraw/zinc/90/63/96/568906396.db2.gz IZYCRXXURZCZHP-LLVKDONJSA-N 0 0 438.600 3.813 50 0 IHAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)OCCOc4ccccc4)c(=O)c32)C1 ZINC000001785018 568907394 /nfs/dbraw/zinc/90/73/94/568907394.db2.gz JKLCVIQHFZMIMG-OAHLLOKOSA-N 0 0 441.553 3.626 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@H](C)O1 ZINC000058531470 568909385 /nfs/dbraw/zinc/90/93/85/568909385.db2.gz WZSUWSHNYUHMRI-YRNRMSPPSA-N 0 0 449.598 3.915 50 0 IHAARN O=C(Nc1ccccc1Br)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000238881552 568909957 /nfs/dbraw/zinc/90/99/57/568909957.db2.gz ASVPTQBYZJLOTK-SHTZXODSSA-N 0 0 441.329 3.999 50 0 IHAARN COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000238923902 568910230 /nfs/dbraw/zinc/91/02/30/568910230.db2.gz QEPWMNSOPZJPKQ-ZVZYQTTQSA-N 0 0 446.396 3.802 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239339058 568911259 /nfs/dbraw/zinc/91/12/59/568911259.db2.gz LQEIJWJNUWOURT-NMOFPLQQSA-N 0 0 448.556 3.524 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000241338531 568912095 /nfs/dbraw/zinc/91/20/95/568912095.db2.gz MBLJMFLIBSKYAN-ILWGZMRPSA-N 0 0 446.613 3.765 50 0 IHAARN COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)cc1Cl ZINC000241588155 568912360 /nfs/dbraw/zinc/91/23/60/568912360.db2.gz PADOWBGNZPIPRK-CPUCHLNUSA-N 0 0 434.920 3.662 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3sccc3[C@H]1c1cccs1)C2=O ZINC000241776850 568912406 /nfs/dbraw/zinc/91/24/06/568912406.db2.gz RTDVZCSPTZOIPD-LNHNDHHWSA-N 0 0 443.594 3.784 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000245256318 568913985 /nfs/dbraw/zinc/91/39/85/568913985.db2.gz OMUZXQFRLHAOCN-KESTWPANSA-N 0 0 431.577 3.788 50 0 IHAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000248342653 568919284 /nfs/dbraw/zinc/91/92/84/568919284.db2.gz YPHXLCSUUWHSJE-AJGMTHFWSA-N 0 0 449.938 3.696 50 0 IHAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248342655 568919323 /nfs/dbraw/zinc/91/93/23/568919323.db2.gz YPHXLCSUUWHSJE-GFTAFNIFSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc2[nH]cc(C3=CCN(Cc4cccc(S(=O)(=O)N(C)C)c4)CC3)c2c1 ZINC000089322691 568920998 /nfs/dbraw/zinc/92/09/98/568920998.db2.gz LUXJYBMWHXDQEB-UHFFFAOYSA-N 0 0 425.554 3.716 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016565869 568922280 /nfs/dbraw/zinc/92/22/80/568922280.db2.gz LGPFMCQNNZSABT-ZDUSSCGKSA-N 0 0 444.889 3.680 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016565867 568922321 /nfs/dbraw/zinc/92/23/21/568922321.db2.gz LGPFMCQNNZSABT-CYBMUJFWSA-N 0 0 444.889 3.680 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001917042 568922631 /nfs/dbraw/zinc/92/26/31/568922631.db2.gz DUVLZNCYLOFADO-IBGZPJMESA-N 0 0 442.899 3.841 50 0 IHAARN COC(=O)c1cc(I)cc(NC(=O)c2cccc3cccnc32)c1 ZINC000089404300 568922647 /nfs/dbraw/zinc/92/26/47/568922647.db2.gz IIKGSPMEPCLPMZ-UHFFFAOYSA-N 0 0 432.217 3.878 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000001917013 568922655 /nfs/dbraw/zinc/92/26/55/568922655.db2.gz VTEMNOLKXWYNDO-QFIPXVFZSA-N 0 0 430.460 3.642 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917055 568922667 /nfs/dbraw/zinc/92/26/67/568922667.db2.gz PNQWMNAOOUJXRB-SFHVURJKSA-N 0 0 449.290 3.796 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000001943816 568923609 /nfs/dbraw/zinc/92/36/09/568923609.db2.gz IZUCWIANEICXQI-UHFFFAOYSA-N 0 0 428.444 3.900 50 0 IHAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2c(F)cccc2Cl)c1=O ZINC000064438469 568928226 /nfs/dbraw/zinc/92/82/26/568928226.db2.gz QKQPYMWSQZSTKI-UHFFFAOYSA-N 0 0 445.922 3.701 50 0 IHAARN Cc1cccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c1 ZINC000064438508 568928262 /nfs/dbraw/zinc/92/82/62/568928262.db2.gz QIBSMGLQVRLFAJ-UHFFFAOYSA-N 0 0 433.552 3.749 50 0 IHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)NC1CCCC1 ZINC000064438511 568928341 /nfs/dbraw/zinc/92/83/41/568928341.db2.gz UMSPWRUWQQYLKR-UHFFFAOYSA-N 0 0 437.515 3.580 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccccc1Cl)C2 ZINC000064566230 568933131 /nfs/dbraw/zinc/93/31/31/568933131.db2.gz UOPJXCLEXHWAJI-UHFFFAOYSA-N 0 0 433.899 3.913 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000064566454 568933141 /nfs/dbraw/zinc/93/31/41/568933141.db2.gz RQKQSNMUSGTHAE-UHFFFAOYSA-N 0 0 432.459 3.790 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000064566212 568933171 /nfs/dbraw/zinc/93/31/71/568933171.db2.gz WFEMALXMJOJZAY-UHFFFAOYSA-N 0 0 433.899 3.913 50 0 IHAARN CCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)s1 ZINC000064579722 568934251 /nfs/dbraw/zinc/93/42/51/568934251.db2.gz GUXXATKUWKCGIY-UHFFFAOYSA-N 0 0 437.481 3.844 50 0 IHAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593523 568935942 /nfs/dbraw/zinc/93/59/42/568935942.db2.gz FPYSEYNSMRZHPB-UHFFFAOYSA-N 0 0 434.521 3.871 50 0 IHAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(C(C)C)cc4)nnc3c2=O)c1 ZINC000064593684 568936025 /nfs/dbraw/zinc/93/60/25/568936025.db2.gz YDTDQUXRVCTXPA-UHFFFAOYSA-N 0 0 449.536 3.743 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(=O)C(C)C)c1=O ZINC000064605344 568939446 /nfs/dbraw/zinc/93/94/46/568939446.db2.gz MBKNUVXEYDBARY-UHFFFAOYSA-N 0 0 448.523 3.769 50 0 IHAARN COc1cccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)NCC(C)C)C2)nc3=O)c1 ZINC000064611707 568941543 /nfs/dbraw/zinc/94/15/43/568941543.db2.gz WJUQGCHTQASWQI-MRXNPFEDSA-N 0 0 440.569 3.649 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cccc(C)c4n3)CC2)cc1 ZINC000006657902 568944309 /nfs/dbraw/zinc/94/43/09/568944309.db2.gz CZDYZXQGZXWBKR-SFHVURJKSA-N 0 0 426.586 3.663 50 0 IHAARN CCc1cccc(C)c1NC(=O)CSc1ncc(S(=O)(=O)c2cccs2)c(N)n1 ZINC000064700552 568944362 /nfs/dbraw/zinc/94/43/62/568944362.db2.gz VWLRFIBWMWGSEJ-UHFFFAOYSA-N 0 0 448.595 3.555 50 0 IHAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)n3n2)cc1 ZINC000064710178 568944595 /nfs/dbraw/zinc/94/45/95/568944595.db2.gz FEHWRAYBSMKUOE-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 ZINC000036073798 568946364 /nfs/dbraw/zinc/94/63/64/568946364.db2.gz RZUJMYKUMLGNIH-CLCZQPDDSA-N 0 0 439.515 3.758 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036083827 568947632 /nfs/dbraw/zinc/94/76/32/568947632.db2.gz BFTZNMHTVTUGRE-JOCHJYFZSA-N 0 0 440.496 3.605 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@H](C)CC4 ZINC000064775406 568954520 /nfs/dbraw/zinc/95/45/20/568954520.db2.gz JBYGQCJCRIMWFF-CYBMUJFWSA-N 0 0 435.553 3.740 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)COc4ccccc4F)c3)cc2=O)s1 ZINC000064775687 568954721 /nfs/dbraw/zinc/95/47/21/568954721.db2.gz QUBSDRSLWQBQIH-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN CCN(CCCNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)c1cccc(C)c1 ZINC000064776036 568955091 /nfs/dbraw/zinc/95/50/91/568955091.db2.gz QEGZRUKTBFMPFI-LJQANCHMSA-N 0 0 445.567 3.790 50 0 IHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(C)=O)c1 ZINC000036117143 568955776 /nfs/dbraw/zinc/95/57/76/568955776.db2.gz AAXNACIQDZFYFW-NRFANRHFSA-N 0 0 430.570 3.766 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C1CC1 ZINC000036117868 568955908 /nfs/dbraw/zinc/95/59/08/568955908.db2.gz ZIQNMMJYNYILFT-GOSISDBHSA-N 0 0 428.554 3.663 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(C)=O)C(C)(C)C ZINC000036118038 568955916 /nfs/dbraw/zinc/95/59/16/568955916.db2.gz FVOAMFHNSNOUHQ-GOSISDBHSA-N 0 0 430.570 3.909 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000036118438 568955954 /nfs/dbraw/zinc/95/59/54/568955954.db2.gz GFDOQKCMSYVIES-ZMPRRUGASA-N 0 0 438.547 3.943 50 0 IHAARN CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000064790044 568956976 /nfs/dbraw/zinc/95/69/76/568956976.db2.gz TYGXFRVWBWVPCI-UHFFFAOYSA-N 0 0 432.480 3.568 50 0 IHAARN CCC(=O)N1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789642 568957203 /nfs/dbraw/zinc/95/72/03/568957203.db2.gz GXYOVSVMDHLVOO-UHFFFAOYSA-N 0 0 439.537 3.541 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCNc1cc(C)nc2nc(-c3cccnc3)nn21 ZINC000064791152 568957321 /nfs/dbraw/zinc/95/73/21/568957321.db2.gz MBYHWFREERFSJH-UHFFFAOYSA-N 0 0 437.891 3.597 50 0 IHAARN Cc1cc(NCCC(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791151 568957372 /nfs/dbraw/zinc/95/73/72/568957372.db2.gz CIAYJWBOOYXACQ-UHFFFAOYSA-N 0 0 441.417 3.954 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)COC ZINC000036121462 568958307 /nfs/dbraw/zinc/95/83/07/568958307.db2.gz OJUJHWWABALPOF-JXFKEZNVSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000036122725 568958314 /nfs/dbraw/zinc/95/83/14/568958314.db2.gz PNYNHAPTHQKALO-HXUWFJFHSA-N 0 0 427.570 3.694 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NCc1ccco1 ZINC000064793740 568959779 /nfs/dbraw/zinc/95/97/79/568959779.db2.gz ONGWFNRJSWLVNK-OAQYLSRUSA-N 0 0 446.898 3.686 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC(C)(C)C ZINC000064815952 568963752 /nfs/dbraw/zinc/96/37/52/568963752.db2.gz UHIYMTJQHBMERN-HSZRJFAPSA-N 0 0 438.553 3.954 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C)cc3C(=O)N2c2cccc(Cl)c2)cc1 ZINC000064816465 568965228 /nfs/dbraw/zinc/96/52/28/568965228.db2.gz BIHQXRUBSKDHAL-HSZRJFAPSA-N 0 0 438.915 3.589 50 0 IHAARN O=C(NCc1ccccc1)c1ccc2c(c1)nc(N1CCCC1)n(Cc1ccccc1)c2=O ZINC000064819496 568966555 /nfs/dbraw/zinc/96/65/55/568966555.db2.gz JNOKOGOBWOCQGZ-UHFFFAOYSA-N 0 0 438.531 3.975 50 0 IHAARN COc1cc([C@@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819682 568966557 /nfs/dbraw/zinc/96/65/57/568966557.db2.gz JBDBHCSSOKXJJQ-IBGZPJMESA-N 0 0 435.274 3.714 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCC(C)C ZINC000036158712 568966813 /nfs/dbraw/zinc/96/68/13/568966813.db2.gz HMYYVPIIDNMENO-KRWDZBQOSA-N 0 0 435.634 3.745 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000064835841 568968854 /nfs/dbraw/zinc/96/88/54/568968854.db2.gz RUSABCPTHLVUHX-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064838608 568970272 /nfs/dbraw/zinc/97/02/72/568970272.db2.gz IIUIEZDAZNZXIT-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc(F)c3)c2=O)cc1C ZINC000064838679 568970318 /nfs/dbraw/zinc/97/03/18/568970318.db2.gz BRNKAKJVCRHBQX-UHFFFAOYSA-N 0 0 442.512 3.693 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)c1 ZINC000064847335 568971289 /nfs/dbraw/zinc/97/12/89/568971289.db2.gz JVHKFHZRHKZXMW-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)on1 ZINC000064845555 568972076 /nfs/dbraw/zinc/97/20/76/568972076.db2.gz PRKPEUFFEKRKGH-UHFFFAOYSA-N 0 0 435.546 3.978 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1cccc(C)c1 ZINC000064867042 568974873 /nfs/dbraw/zinc/97/48/73/568974873.db2.gz NYSXUGJUABNOBN-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN CCc1nc2ccccc2c(=O)n1Cc1noc(Cc2ccccc2Br)n1 ZINC000064867533 568975334 /nfs/dbraw/zinc/97/53/34/568975334.db2.gz BDZOYMUJSCCFKD-UHFFFAOYSA-N 0 0 425.286 3.744 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211790 568975641 /nfs/dbraw/zinc/97/56/41/568975641.db2.gz UDMYJMOHXXIWJK-JOCHJYFZSA-N 0 0 429.605 3.637 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211792 568975728 /nfs/dbraw/zinc/97/57/28/568975728.db2.gz UDMYJMOHXXIWJK-QFIPXVFZSA-N 0 0 429.605 3.637 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036211964 568975801 /nfs/dbraw/zinc/97/58/01/568975801.db2.gz UYINZXUTNHHMKP-LAUBAEHRSA-N 0 0 441.597 3.622 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)c2cc(C)c(C)cc2N1 ZINC000064869366 568975821 /nfs/dbraw/zinc/97/58/21/568975821.db2.gz JJQGXYKJAOGIRW-UHFFFAOYSA-N 0 0 439.487 3.985 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC000036212204 568975970 /nfs/dbraw/zinc/97/59/70/568975970.db2.gz SZKIGZPWWDQRPH-DEOSSOPVSA-N 0 0 447.579 3.577 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000036212900 568976836 /nfs/dbraw/zinc/97/68/36/568976836.db2.gz ZWPIQFJNWLJZIU-XMMPIXPASA-N 0 0 449.595 3.726 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036213122 568976850 /nfs/dbraw/zinc/97/68/50/568976850.db2.gz WHYRXNQCGHARHT-HYBUGGRVSA-N 0 0 449.595 3.869 50 0 IHAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000064872047 568977778 /nfs/dbraw/zinc/97/77/78/568977778.db2.gz BNRALAZBANGWJY-UHFFFAOYSA-N 0 0 434.470 3.693 50 0 IHAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036221456 568977944 /nfs/dbraw/zinc/97/79/44/568977944.db2.gz PCDWDXNYCDCLKQ-GJZGRUSLSA-N 0 0 438.601 3.695 50 0 IHAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)N4CCCCCC4)cc3)n2)cc1 ZINC000064873305 568978243 /nfs/dbraw/zinc/97/82/43/568978243.db2.gz XAJGBVKVWXOUAG-UHFFFAOYSA-N 0 0 433.508 3.836 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cccc(Cl)c1 ZINC000064889027 568980014 /nfs/dbraw/zinc/98/00/14/568980014.db2.gz ZCDFEHNXIMQHCX-UHFFFAOYSA-N 0 0 434.949 3.749 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccccc1Cl ZINC000064889026 568980122 /nfs/dbraw/zinc/98/01/22/568980122.db2.gz KQIAPCYXDUUGKP-UHFFFAOYSA-N 0 0 434.949 3.749 50 0 IHAARN CCc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889110 568980189 /nfs/dbraw/zinc/98/01/89/568980189.db2.gz QQUTYYJJJOSEHA-UHFFFAOYSA-N 0 0 440.569 3.802 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1C ZINC000064891965 568982958 /nfs/dbraw/zinc/98/29/58/568982958.db2.gz VGVQOSATGFLDHM-UHFFFAOYSA-N 0 0 442.878 3.934 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000036250444 568983848 /nfs/dbraw/zinc/98/38/48/568983848.db2.gz GLUDRECBZIFCAK-JOCHJYFZSA-N 0 0 432.008 3.915 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036252337 568983989 /nfs/dbraw/zinc/98/39/89/568983989.db2.gz KHDXUUJIHNRFBP-ISKFKSNPSA-N 0 0 435.568 3.790 50 0 IHAARN O=C(CCc1ccccc1)N1CCN([C@@H](C(=O)NCc2ccccc2)C2CCCC2)CC1 ZINC000036251834 568984032 /nfs/dbraw/zinc/98/40/32/568984032.db2.gz RUUSSVNDKWWCBH-AREMUKBSSA-N 0 0 433.596 3.639 50 0 IHAARN CC(C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251445 568984488 /nfs/dbraw/zinc/98/44/88/568984488.db2.gz JAGYHWIDNABBSB-FQEVSTJZSA-N 0 0 439.522 3.794 50 0 IHAARN O=C(NCc1cccc(F)c1)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928037 568986705 /nfs/dbraw/zinc/98/67/05/568986705.db2.gz KWAAQQOWGJWJDX-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927670 568986815 /nfs/dbraw/zinc/98/68/15/568986815.db2.gz KETYBSJQQNDVHY-UHFFFAOYSA-N 0 0 436.487 3.544 50 0 IHAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928887 568987237 /nfs/dbraw/zinc/98/72/37/568987237.db2.gz JFIPFZFZQAAUAN-LJQANCHMSA-N 0 0 436.943 3.727 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929042 568987244 /nfs/dbraw/zinc/98/72/44/568987244.db2.gz FDNPNIFXNBWDBW-QGZVFWFLSA-N 0 0 434.471 3.909 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929041 568987248 /nfs/dbraw/zinc/98/72/48/568987248.db2.gz FDNPNIFXNBWDBW-KRWDZBQOSA-N 0 0 434.471 3.909 50 0 IHAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000064928087 568987492 /nfs/dbraw/zinc/98/74/92/568987492.db2.gz UEUQUZIGMBBWGY-UHFFFAOYSA-N 0 0 448.441 3.993 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928791 568987740 /nfs/dbraw/zinc/98/77/40/568987740.db2.gz CSFPKWRCKHKNMS-OAHLLOKOSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928586 568987768 /nfs/dbraw/zinc/98/77/68/568987768.db2.gz YOBGIIXGZARATH-CQSZACIVSA-N 0 0 428.414 3.505 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064929937 568988324 /nfs/dbraw/zinc/98/83/24/568988324.db2.gz ALDVUPPZHVFFAF-SFHVURJKSA-N 0 0 440.500 3.980 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930313 568988649 /nfs/dbraw/zinc/98/86/49/568988649.db2.gz BTTJOQCBAPPGNZ-HNNXBMFYSA-N 0 0 440.456 3.636 50 0 IHAARN CC[C@H](C)[C@@H](NC[C@@H](O)COc1ccccc1C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169679854 568991150 /nfs/dbraw/zinc/99/11/50/568991150.db2.gz XKSDOHPKVSQBOJ-QXATTWAWSA-N 0 0 439.512 3.890 50 0 IHAARN COc1ccc(Cn2c3cc(C(=O)NCc4ccc(C)o4)ccc3n3nccc3c2=O)cc1 ZINC000169681124 568991765 /nfs/dbraw/zinc/99/17/65/568991765.db2.gz RDPQDPQYPPMOHR-UHFFFAOYSA-N 0 0 442.475 3.538 50 0 IHAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)c1 ZINC000064950907 568996131 /nfs/dbraw/zinc/99/61/31/568996131.db2.gz JPKPSYIYGGWXHI-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311188 568997096 /nfs/dbraw/zinc/99/70/96/568997096.db2.gz HTELNTJHHMCWET-JOCHJYFZSA-N 0 0 427.495 3.920 50 0 IHAARN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)CC(C)C ZINC000036312178 568997645 /nfs/dbraw/zinc/99/76/45/568997645.db2.gz HWUBXKVYWCJHFF-UHFFFAOYSA-N 0 0 446.567 3.644 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000064957082 568999306 /nfs/dbraw/zinc/99/93/06/568999306.db2.gz VFSXSBGOQFHLMT-UHFFFAOYSA-N 0 0 426.325 3.641 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000064963891 569000823 /nfs/dbraw/zinc/00/08/23/569000823.db2.gz JTLIHBABXHKHMZ-FQEVSTJZSA-N 0 0 435.484 3.540 50 0 IHAARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1 ZINC000064963899 569000882 /nfs/dbraw/zinc/00/08/82/569000882.db2.gz JEIZNGOSYSHMAN-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN Cc1ccccc1CNC(=O)CN1c2ccccc2N(C(=O)Nc2ccccc2)CC1=O ZINC000064971417 569076294 /nfs/dbraw/zinc/07/62/94/569076294.db2.gz MOEDYUVHLQCWBL-UHFFFAOYSA-N 0 0 428.492 3.697 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970950 569076382 /nfs/dbraw/zinc/07/63/82/569076382.db2.gz UYJXKQOFXPLSNK-HXUWFJFHSA-N 0 0 433.487 3.606 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCc1ccccc1Cl)c2=O ZINC000064971148 569076511 /nfs/dbraw/zinc/07/65/11/569076511.db2.gz BUVHRWYFRCVFHN-INIZCTEOSA-N 0 0 435.915 3.730 50 0 IHAARN CC[C@H](C(=O)Nc1ccccc1OC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971030 569076530 /nfs/dbraw/zinc/07/65/30/569076530.db2.gz CLDNGZUQYDVILG-LJQANCHMSA-N 0 0 431.496 3.797 50 0 IHAARN Cc1cccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 ZINC000064971554 569076747 /nfs/dbraw/zinc/07/67/47/569076747.db2.gz GCCFLBPFZBOOMK-UHFFFAOYSA-N 0 0 446.482 3.836 50 0 IHAARN COc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000064972168 569076871 /nfs/dbraw/zinc/07/68/71/569076871.db2.gz LVMAVRLNEMQSMS-QHCPKHFHSA-N 0 0 436.533 3.758 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000064972319 569076892 /nfs/dbraw/zinc/07/68/92/569076892.db2.gz CYUXBRWKZBXXMD-JOCHJYFZSA-N 0 0 440.496 3.589 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000064972332 569076910 /nfs/dbraw/zinc/07/69/10/569076910.db2.gz RTKQTAQIIZHZKC-HSZRJFAPSA-N 0 0 436.533 3.758 50 0 IHAARN CC(C)C(=O)N1CCc2cc(CNS(=O)(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000064977110 569077476 /nfs/dbraw/zinc/07/74/76/569077476.db2.gz WXIOJZLCKXPAIA-UHFFFAOYSA-N 0 0 426.460 3.729 50 0 IHAARN Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCC2(CC1)OCCO2 ZINC000036343136 569079614 /nfs/dbraw/zinc/07/96/14/569079614.db2.gz MKZPXNIUCSUBPY-QHCPKHFHSA-N 0 0 437.515 3.651 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)C3CCCC3)C(=O)N3CCCCC3)CC2)cc1 ZINC000036342186 569079760 /nfs/dbraw/zinc/07/97/60/569079760.db2.gz RWTCECGWEFWTDB-QHCPKHFHSA-N 0 0 439.600 3.535 50 0 IHAARN CCC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986198 569081971 /nfs/dbraw/zinc/08/19/71/569081971.db2.gz KEQTXUYEFOUTME-FOIQADDNSA-N 0 0 436.961 3.910 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(N3CCC(C)CC3)cc1O2 ZINC000064986702 569082237 /nfs/dbraw/zinc/08/22/37/569082237.db2.gz SWDRHXILVKEHAV-UHFFFAOYSA-N 0 0 429.542 3.840 50 0 IHAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)C1CCCCC1 ZINC000064987654 569082716 /nfs/dbraw/zinc/08/27/16/569082716.db2.gz XWTVOSCKIOZLET-UHFFFAOYSA-N 0 0 436.487 3.860 50 0 IHAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)o2)cc1OC ZINC000064987873 569082795 /nfs/dbraw/zinc/08/27/95/569082795.db2.gz RFBJLLYDJDRAHU-UHFFFAOYSA-N 0 0 429.498 3.514 50 0 IHAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 ZINC000064988672 569083656 /nfs/dbraw/zinc/08/36/56/569083656.db2.gz VMQIOOBDKJWWNI-QGZVFWFLSA-N 0 0 428.432 3.570 50 0 IHAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(Cc2ccccc2)CC1 ZINC000036353194 569083870 /nfs/dbraw/zinc/08/38/70/569083870.db2.gz IFCKELSMEIWCOS-HSZRJFAPSA-N 0 0 434.540 3.706 50 0 IHAARN Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000064998445 569085120 /nfs/dbraw/zinc/08/51/20/569085120.db2.gz HJHKRSYXJUGLIV-UHFFFAOYSA-N 0 0 433.493 3.666 50 0 IHAARN COc1ccc(-c2nc(CC(=O)Nc3nnc([C@H]4CCCO4)s3)cs2)cc1OC ZINC000036357564 569085159 /nfs/dbraw/zinc/08/51/59/569085159.db2.gz NYCSXTLCDBNGQV-CQSZACIVSA-N 0 0 432.527 3.712 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)c1 ZINC000064999664 569086168 /nfs/dbraw/zinc/08/61/68/569086168.db2.gz MTDJJMJTJSTMHA-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN COc1ccc([C@H]2[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000036366578 569087279 /nfs/dbraw/zinc/08/72/79/569087279.db2.gz XENPMCDZVARYLL-YADHBBJMSA-N 0 0 426.476 3.543 50 0 IHAARN COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036367307 569087493 /nfs/dbraw/zinc/08/74/93/569087493.db2.gz KWNHBYBJKBQZNK-JOCHJYFZSA-N 0 0 438.499 3.952 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)ncn2)c1 ZINC000065007697 569087761 /nfs/dbraw/zinc/08/77/61/569087761.db2.gz OMTLPQXRQPMTTO-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c1 ZINC000065007761 569087783 /nfs/dbraw/zinc/08/77/83/569087783.db2.gz IXBFUTOAZCLTKK-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN CCCCN(C)S(=O)(=O)c1cc(-c2c(CCC)nn3c2NC(=O)CCC3=O)ccc1C ZINC000065011118 569088398 /nfs/dbraw/zinc/08/83/98/569088398.db2.gz BFQBEPQMJNFSIT-UHFFFAOYSA-N 0 0 446.573 3.604 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc(OC)c1 ZINC000065021201 569088784 /nfs/dbraw/zinc/08/87/84/569088784.db2.gz QHAPOQHLQXGAHI-UHFFFAOYSA-N 0 0 430.526 3.539 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)c1 ZINC000065023721 569089452 /nfs/dbraw/zinc/08/94/52/569089452.db2.gz QDCMAESKUPPEON-LJQANCHMSA-N 0 0 432.524 3.694 50 0 IHAARN CCOc1ccccc1CNC(=O)COc1nc(C)nc2onc(-c3ccc(F)cc3)c21 ZINC000065024750 569089771 /nfs/dbraw/zinc/08/97/71/569089771.db2.gz XZZXVZZZPFVJRT-UHFFFAOYSA-N 0 0 436.443 3.826 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2cnn3c2nccc3-c2ccc3c(c2)OCO3)cc1OC ZINC000065026757 569089944 /nfs/dbraw/zinc/08/99/44/569089944.db2.gz GFBJTFBEZFNHMP-CQSZACIVSA-N 0 0 446.463 3.633 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000065025833 569090764 /nfs/dbraw/zinc/09/07/64/569090764.db2.gz GHHMFFJBMDJMMC-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN COc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccccc3C)nn2)CC1 ZINC000065026069 569090879 /nfs/dbraw/zinc/09/08/79/569090879.db2.gz WINBIMUBSKHONR-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN Cc1ccccc1NC(=O)CSc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000065025904 569090904 /nfs/dbraw/zinc/09/09/04/569090904.db2.gz JOXWOKXRWUZWPA-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(N3CCN(c4cccc(C)c4)CC3)nn2)cc1 ZINC000065026134 569090955 /nfs/dbraw/zinc/09/09/55/569090955.db2.gz OMRBUQITRLIBBX-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN COc1ccccc1NC(=O)CSc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1 ZINC000065026138 569090966 /nfs/dbraw/zinc/09/09/66/569090966.db2.gz BXNWZJXCBANWBQ-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)c(C)c1 ZINC000065034539 569092073 /nfs/dbraw/zinc/09/20/73/569092073.db2.gz QXIGHWVPMHENRU-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000065035016 569092443 /nfs/dbraw/zinc/09/24/43/569092443.db2.gz LQYXJHSLGCUJIY-UHFFFAOYSA-N 0 0 443.862 3.516 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000169755591 569093465 /nfs/dbraw/zinc/09/34/65/569093465.db2.gz JAMIOFREQZFCQT-OAHLLOKOSA-N 0 0 431.359 3.838 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4cccc(Br)c4)C3)n[nH]2)cc1 ZINC000169754313 569093876 /nfs/dbraw/zinc/09/38/76/569093876.db2.gz IMUCVVCSJQELRZ-KRWDZBQOSA-N 0 0 441.329 3.857 50 0 IHAARN CC(C)c1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758021 569094253 /nfs/dbraw/zinc/09/42/53/569094253.db2.gz YBEWKMVGAMJINF-OAQYLSRUSA-N 0 0 439.899 3.979 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)n2)cc1OC ZINC000169758229 569094401 /nfs/dbraw/zinc/09/44/01/569094401.db2.gz YZCINWNUPFGICJ-GOSISDBHSA-N 0 0 439.859 3.937 50 0 IHAARN CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC)c(F)c5)no4)c3CO2)cc1 ZINC000169758432 569094447 /nfs/dbraw/zinc/09/44/47/569094447.db2.gz UYEZPUKRWNCIFD-LJQANCHMSA-N 0 0 437.431 3.813 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)cc1OC ZINC000169758522 569094453 /nfs/dbraw/zinc/09/44/53/569094453.db2.gz FGHGWNLWLQQJIP-FQEVSTJZSA-N 0 0 433.468 3.901 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)c(OC)c1 ZINC000169758524 569094476 /nfs/dbraw/zinc/09/44/76/569094476.db2.gz VTGPZUZAZYHMAO-FQEVSTJZSA-N 0 0 433.468 3.901 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000065059601 569096202 /nfs/dbraw/zinc/09/62/02/569096202.db2.gz JQHHPAUVIRHPBU-QHCPKHFHSA-N 0 0 432.561 3.885 50 0 IHAARN CCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc1 ZINC000065063362 569097856 /nfs/dbraw/zinc/09/78/56/569097856.db2.gz ZJVBSPUBYYSLFS-UHFFFAOYSA-N 0 0 441.509 3.823 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000065074974 569099298 /nfs/dbraw/zinc/09/92/98/569099298.db2.gz WQGQDHSKIFQEIW-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN COC(=O)c1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075239 569099572 /nfs/dbraw/zinc/09/95/72/569099572.db2.gz IOKDHKURTCXAJO-SANMLTNESA-N 0 0 428.488 3.751 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077290 569100175 /nfs/dbraw/zinc/10/01/75/569100175.db2.gz DXKRVLBDPKSCSK-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN CC(=O)c1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077227 569100191 /nfs/dbraw/zinc/10/01/91/569100191.db2.gz VIHYGPIMGXEBBX-ZDUSSCGKSA-N 0 0 446.550 3.515 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077635 569100305 /nfs/dbraw/zinc/10/03/05/569100305.db2.gz QHPWIBCYNRQBQU-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077107 569100372 /nfs/dbraw/zinc/10/03/72/569100372.db2.gz SLKXKLLMYCCYFG-UHFFFAOYSA-N 0 0 438.958 3.885 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cc(F)ccc3F)ccc2S1 ZINC000065077714 569100436 /nfs/dbraw/zinc/10/04/36/569100436.db2.gz ASZHBAXYSRUSTH-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078369 569100571 /nfs/dbraw/zinc/10/05/71/569100571.db2.gz JYFNPLFTNDHYSV-CQSZACIVSA-N 0 0 448.566 3.568 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077872 569100762 /nfs/dbraw/zinc/10/07/62/569100762.db2.gz AUOAEQNCZDOFFO-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc2S1 ZINC000065078021 569100781 /nfs/dbraw/zinc/10/07/81/569100781.db2.gz BGNCKKRIKWMCLU-NSHDSACASA-N 0 0 440.493 3.590 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065079927 569101041 /nfs/dbraw/zinc/10/10/41/569101041.db2.gz ZWNFVTWFDQTOQX-UHFFFAOYSA-N 0 0 433.464 3.626 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NC[C@@H]4CCCO4)C3)sc12 ZINC000065080888 569101191 /nfs/dbraw/zinc/10/11/91/569101191.db2.gz JCVMEAXUXGHQSL-HKUYNNGSSA-N 0 0 439.585 3.610 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc(OC)c1OC ZINC000065084990 569102716 /nfs/dbraw/zinc/10/27/16/569102716.db2.gz UYQXVKZEAGJGHK-UHFFFAOYSA-N 0 0 433.507 3.859 50 0 IHAARN O=C(NCc1nnc2ccc(-c3ccc(F)cc3)nn21)c1cccc(OC(F)(F)F)c1 ZINC000169778406 569102731 /nfs/dbraw/zinc/10/27/31/569102731.db2.gz XNGWSQJDWXUJPO-UHFFFAOYSA-N 0 0 431.349 3.759 50 0 IHAARN O=C(Cc1cccc(F)c1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777536 569102917 /nfs/dbraw/zinc/10/29/17/569102917.db2.gz NVYMBZASSSHYLB-UHFFFAOYSA-N 0 0 432.459 3.540 50 0 IHAARN Cc1ccc(-c2cc(N3CCCN(C(=O)c4nn(C)c5ccccc54)CC3)n[nH]2)cc1C ZINC000169780211 569102980 /nfs/dbraw/zinc/10/29/80/569102980.db2.gz MDKMYVAVDDTWHC-UHFFFAOYSA-N 0 0 428.540 3.933 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(N4CCCC4=O)nc3C(C)C)CC2)cc1 ZINC000065086404 569103352 /nfs/dbraw/zinc/10/33/52/569103352.db2.gz IDRONVHNKWYMQS-UHFFFAOYSA-N 0 0 440.569 3.558 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(C)cc4)no3)n2C)cc1 ZINC000065099925 569104834 /nfs/dbraw/zinc/10/48/34/569104834.db2.gz IRMMNGHLPAATDT-UHFFFAOYSA-N 0 0 436.497 3.580 50 0 IHAARN Cn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100098 569104929 /nfs/dbraw/zinc/10/49/29/569104929.db2.gz LDGUYLHOKREIDJ-UHFFFAOYSA-N 0 0 440.916 3.594 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)cc1 ZINC000065099535 569105188 /nfs/dbraw/zinc/10/51/88/569105188.db2.gz RQLYPPYRUVWNBT-UHFFFAOYSA-N 0 0 432.553 3.600 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCC3)c2=O)c1 ZINC000065101534 569105834 /nfs/dbraw/zinc/10/58/34/569105834.db2.gz RDLUWFLTPPKPDP-UHFFFAOYSA-N 0 0 446.551 3.589 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)c1 ZINC000065101842 569105903 /nfs/dbraw/zinc/10/59/03/569105903.db2.gz JBOUQZIDUSQWBB-UHFFFAOYSA-N 0 0 444.466 3.989 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21 ZINC000065101806 569105931 /nfs/dbraw/zinc/10/59/31/569105931.db2.gz KVPVFVSZZKOBEI-UHFFFAOYSA-N 0 0 428.492 3.964 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000065101831 569105952 /nfs/dbraw/zinc/10/59/52/569105952.db2.gz YRMVSYUSNZUZEL-UHFFFAOYSA-N 0 0 432.455 3.795 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)CCCC5)cc1 ZINC000065111254 569106326 /nfs/dbraw/zinc/10/63/26/569106326.db2.gz WPGVRUASBPQMBD-UHFFFAOYSA-N 0 0 435.553 3.966 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)C[C@@H](C)CC5)cc1 ZINC000065111258 569106351 /nfs/dbraw/zinc/10/63/51/569106351.db2.gz PPQXYDNWTJXYAV-AWEZNQCLSA-N 0 0 435.553 3.993 50 0 IHAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)NCCCc2ccccc2)c1 ZINC000065115786 569106818 /nfs/dbraw/zinc/10/68/18/569106818.db2.gz DPUQJZGDZYCCBA-UHFFFAOYSA-N 0 0 427.526 3.828 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000065115904 569107008 /nfs/dbraw/zinc/10/70/08/569107008.db2.gz MGMVCUFMAOBODZ-UHFFFAOYSA-N 0 0 437.424 3.696 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(Cc3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000065112777 569108277 /nfs/dbraw/zinc/10/82/77/569108277.db2.gz RHFDQRARNFXGFB-UHFFFAOYSA-N 0 0 430.489 3.680 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4C)c3N)c(C)o2)cc1 ZINC000065113677 569108528 /nfs/dbraw/zinc/10/85/28/569108528.db2.gz KLPQITRRPGTDRA-UHFFFAOYSA-N 0 0 432.484 3.750 50 0 IHAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000065117860 569108820 /nfs/dbraw/zinc/10/88/20/569108820.db2.gz MYIBQBNFFJRITG-UHFFFAOYSA-N 0 0 431.418 3.675 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000065131177 569109257 /nfs/dbraw/zinc/10/92/57/569109257.db2.gz KNFJKCIRNAPCNF-UHFFFAOYSA-N 0 0 426.542 3.772 50 0 IHAARN CC(C)c1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3F)c2)n1 ZINC000065134628 569109782 /nfs/dbraw/zinc/10/97/82/569109782.db2.gz YCVGJUHAAWGQCL-UHFFFAOYSA-N 0 0 435.253 3.562 50 0 IHAARN O=C(Cn1c(=O)cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1F ZINC000065150289 569111051 /nfs/dbraw/zinc/11/10/51/569111051.db2.gz BDCOALBISJANFD-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000036446988 569111167 /nfs/dbraw/zinc/11/11/67/569111167.db2.gz JURSQTHIZGIACY-DEOSSOPVSA-N 0 0 441.531 3.611 50 0 IHAARN O=C(CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000065155262 569112416 /nfs/dbraw/zinc/11/24/16/569112416.db2.gz YMYIRKRFNIRUOV-QFIPXVFZSA-N 0 0 428.822 3.839 50 0 IHAARN O=C(c1csc(-c2ccc(N3CCCC3)nc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000065165210 569112924 /nfs/dbraw/zinc/11/29/24/569112924.db2.gz HQMOBHIBMLWXTK-UHFFFAOYSA-N 0 0 437.544 3.907 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165678 569113139 /nfs/dbraw/zinc/11/31/39/569113139.db2.gz IIPOMWNEFRTDCJ-UHFFFAOYSA-N 0 0 432.521 3.967 50 0 IHAARN O=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCOCC1 ZINC000065180013 569113627 /nfs/dbraw/zinc/11/36/27/569113627.db2.gz PLBNPYDMAVLQBO-UHFFFAOYSA-N 0 0 442.943 3.744 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000065184149 569113918 /nfs/dbraw/zinc/11/39/18/569113918.db2.gz LZBDLRQSCRRSDS-UHFFFAOYSA-N 0 0 440.475 3.711 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1 ZINC000065178350 569114377 /nfs/dbraw/zinc/11/43/77/569114377.db2.gz XCKNQNVZOLWXQH-UHFFFAOYSA-N 0 0 433.533 3.961 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC000065178847 569114496 /nfs/dbraw/zinc/11/44/96/569114496.db2.gz ZURNGFJQXQGAHS-NRFANRHFSA-N 0 0 436.552 3.927 50 0 IHAARN Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1-c1nc(C(C)C)no1 ZINC000065186060 569114660 /nfs/dbraw/zinc/11/46/60/569114660.db2.gz PFMLMYKFRONETD-UHFFFAOYSA-N 0 0 425.508 3.766 50 0 IHAARN CCc1ccccc1NC(=O)Cn1nc(-c2nc(-c3cccc(Cl)c3)no2)ccc1=O ZINC000065197547 569114833 /nfs/dbraw/zinc/11/48/33/569114833.db2.gz REEYARNAULDJLK-UHFFFAOYSA-N 0 0 435.871 3.815 50 0 IHAARN CC1CCN(Cc2csc(N3CCN(C(=O)Cc4cccc(Cl)c4)CC3)n2)CC1 ZINC000065200634 569115132 /nfs/dbraw/zinc/11/51/32/569115132.db2.gz SOWREUQNZQXLMO-UHFFFAOYSA-N 0 0 433.021 3.920 50 0 IHAARN O=c1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1Cc1cccc(Br)c1 ZINC000065197322 569116008 /nfs/dbraw/zinc/11/60/08/569116008.db2.gz WRPXXWFRTFLNSP-UHFFFAOYSA-N 0 0 427.233 3.910 50 0 IHAARN CCOc1cccc(CNC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000065210591 569116267 /nfs/dbraw/zinc/11/62/67/569116267.db2.gz XHRAWPSMIABQBN-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 IHAARN CCc1ccc(CNC(=O)c2csc(N3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000065211619 569116662 /nfs/dbraw/zinc/11/66/62/569116662.db2.gz WLCLCCYRCDOIBR-UHFFFAOYSA-N 0 0 436.581 3.971 50 0 IHAARN Cc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2cc(F)cc(F)c2)s1 ZINC000065217362 569117003 /nfs/dbraw/zinc/11/70/03/569117003.db2.gz JRVGRTAPMBEXJN-UHFFFAOYSA-N 0 0 434.493 3.664 50 0 IHAARN CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000036569495 569118592 /nfs/dbraw/zinc/11/85/92/569118592.db2.gz BFPWSFSFFBTRNW-INIZCTEOSA-N 0 0 426.494 3.694 50 0 IHAARN O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000065231907 569118650 /nfs/dbraw/zinc/11/86/50/569118650.db2.gz DLORKFFZGQCHJI-UHFFFAOYSA-N 0 0 449.462 3.878 50 0 IHAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5cc(C)ccc5C)cc4c3=O)no2)cc1 ZINC000065235761 569119229 /nfs/dbraw/zinc/11/92/29/569119229.db2.gz VDVYUXAGRMYQSU-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000065235505 569119274 /nfs/dbraw/zinc/11/92/74/569119274.db2.gz MKDJGJIIUXXQMO-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN C=C1C(N2CCCN(C(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239282 569120344 /nfs/dbraw/zinc/12/03/44/569120344.db2.gz WFGRHHWOHUNUIJ-UHFFFAOYSA-N 0 0 435.977 3.537 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(CC)cc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239295 569120357 /nfs/dbraw/zinc/12/03/57/569120357.db2.gz DUNHFSMRPURDHF-UHFFFAOYSA-N 0 0 437.565 3.570 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccccc1Cl ZINC000036589739 569121071 /nfs/dbraw/zinc/12/10/71/569121071.db2.gz IOIUPUJVFLYIED-HXUWFJFHSA-N 0 0 438.915 3.585 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1 ZINC000065241517 569121093 /nfs/dbraw/zinc/12/10/93/569121093.db2.gz IAJQYWPJFUKQEV-UHFFFAOYSA-N 0 0 425.466 3.663 50 0 IHAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000036595009 569121431 /nfs/dbraw/zinc/12/14/31/569121431.db2.gz DTRZSWNIQGRJOL-JOCHJYFZSA-N 0 0 431.492 3.935 50 0 IHAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3OC)C2)ncn1 ZINC000065242461 569121535 /nfs/dbraw/zinc/12/15/35/569121535.db2.gz DAECXKLCNGRNNP-KRWDZBQOSA-N 0 0 427.549 3.951 50 0 IHAARN COc1cccc(-c2cc(C(=O)NC[C@@H](C)Cn3nccc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616071 569122729 /nfs/dbraw/zinc/12/27/29/569122729.db2.gz YXCCNXSFPPRCEA-OAHLLOKOSA-N 0 0 432.528 3.523 50 0 IHAARN CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(OC)c3OC)c3cnn(C)c3n2)c1C ZINC000036616288 569122753 /nfs/dbraw/zinc/12/27/53/569122753.db2.gz RSDFAHGCQRDERY-UHFFFAOYSA-N 0 0 434.500 3.738 50 0 IHAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c12 ZINC000036616951 569123064 /nfs/dbraw/zinc/12/30/64/569123064.db2.gz CPQIHWLXPXLBNG-UHFFFAOYSA-N 0 0 437.507 3.989 50 0 IHAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@H](C)Cn3cccn3)c12 ZINC000036613390 569123862 /nfs/dbraw/zinc/12/38/62/569123862.db2.gz RPKOINYOEBKWOB-KRWDZBQOSA-N 0 0 428.540 3.928 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3c(C)noc3n2)cc1 ZINC000036613822 569123988 /nfs/dbraw/zinc/12/39/88/569123988.db2.gz XGDWYEDGLYMXKX-UHFFFAOYSA-N 0 0 443.507 3.560 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCOC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000013129815 569125405 /nfs/dbraw/zinc/12/54/05/569125405.db2.gz YFYHUIJEUADGRT-UHFFFAOYSA-N 0 0 425.506 3.709 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000013134462 569125462 /nfs/dbraw/zinc/12/54/62/569125462.db2.gz VDWODXCHPVASFK-KRWDZBQOSA-N 0 0 444.553 3.805 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCc3c4ccccc4[nH]c3C1)C=C2 ZINC000524732046 569126729 /nfs/dbraw/zinc/12/67/29/569126729.db2.gz UZBADICNVVIJFL-UHFFFAOYSA-N 0 0 445.519 3.516 50 0 biogenic IHAARN Cc1cccc(N2CCN(C(=O)CCC3CCN(c4cc(NC5CC5)ncn4)CC3)CC2)c1 ZINC000065274154 569128469 /nfs/dbraw/zinc/12/84/69/569128469.db2.gz RPNUPEDILJSZKN-UHFFFAOYSA-N 0 0 448.615 3.705 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(C(C)C)c2)CC3)CC1 ZINC000065273358 569129447 /nfs/dbraw/zinc/12/94/47/569129447.db2.gz XXTZWYROWXPGDR-GOSISDBHSA-N 0 0 426.586 3.679 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(Cl)c2C)CC3)CC1 ZINC000065273442 569129483 /nfs/dbraw/zinc/12/94/83/569129483.db2.gz NHHXZJKTBKUCNN-OAHLLOKOSA-N 0 0 447.004 3.907 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccccc2CC)CC3)CC1 ZINC000065273493 569129639 /nfs/dbraw/zinc/12/96/39/569129639.db2.gz JEEZUQLTKLKDGI-KRWDZBQOSA-N 0 0 426.586 3.508 50 0 IHAARN Cc1oc2c(c1C(=O)N1CCN(c3ccccn3)CC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289676 569130602 /nfs/dbraw/zinc/13/06/02/569130602.db2.gz XWAKXEQZDKVIEC-UHFFFAOYSA-N 0 0 430.552 3.812 50 0 IHAARN CCn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000065292954 569130917 /nfs/dbraw/zinc/13/09/17/569130917.db2.gz FBJTVGYFGSDGFD-GFCCVEGCSA-N 0 0 425.341 3.936 50 0 IHAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1cccc(OC)c1 ZINC000065306595 569133398 /nfs/dbraw/zinc/13/33/98/569133398.db2.gz ONGQMWGOSFMIKI-UHFFFAOYSA-N 0 0 433.464 3.800 50 0 IHAARN C[C@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccc(F)cc1 ZINC000065311515 569133773 /nfs/dbraw/zinc/13/37/73/569133773.db2.gz GSTHNUSCABSXTB-SFHVURJKSA-N 0 0 434.515 3.525 50 0 IHAARN O=C(CN1CCN(CC(=O)c2cccs2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036708338 569135039 /nfs/dbraw/zinc/13/50/39/569135039.db2.gz ZOEJJMYXUKJFIG-UHFFFAOYSA-N 0 0 445.894 3.859 50 0 IHAARN O=C(NC1CCN(c2nnc3ccc(Cl)cn32)CC1)c1ccc(C(F)(F)F)s1 ZINC000065313189 569135167 /nfs/dbraw/zinc/13/51/67/569135167.db2.gz VARQFOXHAFKHSV-UHFFFAOYSA-N 0 0 429.855 3.862 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000036700223 569135189 /nfs/dbraw/zinc/13/51/89/569135189.db2.gz JCXGPARYNPHMNX-UHFFFAOYSA-N 0 0 445.522 3.535 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000036700502 569135329 /nfs/dbraw/zinc/13/53/29/569135329.db2.gz BPINNANMJHPBAO-UHFFFAOYSA-N 0 0 436.566 3.723 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cn3c4ccccc4c4c3CCC4)sc2c1 ZINC000036708633 569136020 /nfs/dbraw/zinc/13/60/20/569136020.db2.gz XJOXTEGXQNLVPW-UHFFFAOYSA-N 0 0 425.535 3.782 50 0 IHAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000065319996 569136038 /nfs/dbraw/zinc/13/60/38/569136038.db2.gz IYFPRNKWABFOJO-UHFFFAOYSA-N 0 0 447.561 3.904 50 0 IHAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)oc3C)nc21 ZINC000036716136 569136826 /nfs/dbraw/zinc/13/68/26/569136826.db2.gz LVDRGEKSDUCEKM-UHFFFAOYSA-N 0 0 429.542 3.802 50 0 IHAARN COc1ccc2nc3oc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3cc2c1 ZINC000065331033 569137224 /nfs/dbraw/zinc/13/72/24/569137224.db2.gz SPJIJDCYSBKICD-UHFFFAOYSA-N 0 0 445.475 3.676 50 0 IHAARN Cc1c(C(=O)NC2CCN(c3nc(C)nc4c3CCCC4)CC2)cnn1-c1ccccc1 ZINC000238914064 569137884 /nfs/dbraw/zinc/13/78/84/569137884.db2.gz SKCZDYFFYNRLDW-UHFFFAOYSA-N 0 0 430.556 3.557 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000036834741 569138381 /nfs/dbraw/zinc/13/83/81/569138381.db2.gz KYZMHOHCASIGMS-UHFFFAOYSA-N 0 0 429.586 3.954 50 0 IHAARN Cc1cc2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2c2ccccc12 ZINC000036849626 569138503 /nfs/dbraw/zinc/13/85/03/569138503.db2.gz DDSZYMNZJXOWTC-UHFFFAOYSA-N 0 0 431.565 3.627 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2C1=O ZINC000036877495 569138536 /nfs/dbraw/zinc/13/85/36/569138536.db2.gz LCFRPHHNOLLCBI-UHFFFAOYSA-N 0 0 442.471 3.839 50 0 IHAARN O=S(=O)(c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1)C(F)F ZINC000065564313 569139272 /nfs/dbraw/zinc/13/92/72/569139272.db2.gz MTKNCRLXTYIFFO-UHFFFAOYSA-N 0 0 425.453 3.572 50 0 IHAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(F)cc4)c(=O)n3n2)cc1 ZINC000065534917 569139462 /nfs/dbraw/zinc/13/94/62/569139462.db2.gz QMQCCOJYCGEGRE-UHFFFAOYSA-N 0 0 428.423 3.742 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1C[C@H]2CSCN2[C@@]12c1ccccc1N(CC)C2=O ZINC000037009728 569139612 /nfs/dbraw/zinc/13/96/12/569139612.db2.gz DCHGEZVGGQIRPO-KEWLPNKHSA-N 0 0 437.565 3.681 50 0 biogenic IHAARN FC(F)(F)c1ccc(-c2noc(CSc3nnnn3CCc3ccccn3)n2)cc1 ZINC000065610170 569140173 /nfs/dbraw/zinc/14/01/73/569140173.db2.gz GLDFLJRXLBFBCP-UHFFFAOYSA-N 0 0 433.419 3.672 50 0 IHAARN C[C@@H]1CN(Cc2cccnc2)CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000170597630 569142289 /nfs/dbraw/zinc/14/22/89/569142289.db2.gz ZCSLHQSBEUHUFJ-OAHLLOKOSA-N 0 0 443.960 3.610 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N(c1ncccn1)C1CCCCC1 ZINC000170607593 569144219 /nfs/dbraw/zinc/14/42/19/569144219.db2.gz WVBYMNAORGGIBG-HNNXBMFYSA-N 0 0 443.345 3.958 50 0 IHAARN O=C(NCc1cccc(-c2nc(-c3ccncc3)no2)c1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000170610171 569145025 /nfs/dbraw/zinc/14/50/25/569145025.db2.gz FILBKQIFSSNYSL-LJQANCHMSA-N 0 0 443.438 3.680 50 0 IHAARN CN(c1ccc(-c2ccccc2)nn1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000170617435 569147387 /nfs/dbraw/zinc/14/73/87/569147387.db2.gz QEKHVZGVGALNLK-UHFFFAOYSA-N 0 0 446.326 3.666 50 0 IHAARN COc1ccccc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2cccc(F)c2)C1 ZINC000170625893 569148533 /nfs/dbraw/zinc/14/85/33/569148533.db2.gz XDKUHSFUKFRIRN-NRFANRHFSA-N 0 0 425.485 3.837 50 0 IHAARN CCN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009882214 569149591 /nfs/dbraw/zinc/14/95/91/569149591.db2.gz SJRNPMKJTNBNLI-OAQYLSRUSA-N 0 0 437.565 3.556 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 ZINC000009882313 569149647 /nfs/dbraw/zinc/14/96/47/569149647.db2.gz NWPRQOXVDMMEDP-OAHLLOKOSA-N 0 0 428.510 3.717 50 0 IHAARN Fc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)c1 ZINC000009908833 569150582 /nfs/dbraw/zinc/15/05/82/569150582.db2.gz ZWVLVMWPWCETPC-UHFFFAOYSA-N 0 0 438.488 3.585 50 0 IHAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NCC(F)(F)F ZINC000009910957 569150591 /nfs/dbraw/zinc/15/05/91/569150591.db2.gz YXYKVAYEDDNGIF-UHFFFAOYSA-N 0 0 446.248 3.566 50 0 IHAARN O=C(C[C@@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000010059358 569152182 /nfs/dbraw/zinc/15/21/82/569152182.db2.gz KPZRMCMFPGQCCD-INIZCTEOSA-N 0 0 447.310 3.725 50 0 IHAARN COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc(OC)c1OC ZINC000010220829 569153036 /nfs/dbraw/zinc/15/30/36/569153036.db2.gz MMATUUYPGYQLLQ-UHFFFAOYSA-N 0 0 443.887 3.537 50 0 IHAARN Cc1cccc2sc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)nc21 ZINC000010218190 569153357 /nfs/dbraw/zinc/15/33/57/569153357.db2.gz HIFGOIGFSAUSSD-UHFFFAOYSA-N 0 0 445.610 3.753 50 0 IHAARN O=C(Nc1ccc2scnc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010217674 569153398 /nfs/dbraw/zinc/15/33/98/569153398.db2.gz AVSLXRHANVOQBB-GFCCVEGCSA-N 0 0 427.960 3.803 50 0 IHAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1 ZINC000071794096 569154321 /nfs/dbraw/zinc/15/43/21/569154321.db2.gz ZJGFJJRUBCKMMC-IRLDBZIGSA-N 0 0 435.528 3.614 50 0 IHAARN O=C(CNC(=O)Cc1cccc2ccccc21)NCc1ccc(OCc2ccccn2)cc1 ZINC000071819917 569154679 /nfs/dbraw/zinc/15/46/79/569154679.db2.gz ATEXTAAXGFAQJM-UHFFFAOYSA-N 0 0 439.515 3.789 50 0 IHAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013295073 569154914 /nfs/dbraw/zinc/15/49/14/569154914.db2.gz WFAMPPWOIGMDGG-GFCCVEGCSA-N 0 0 437.456 3.803 50 0 IHAARN COc1cccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c1 ZINC000013350003 569155270 /nfs/dbraw/zinc/15/52/70/569155270.db2.gz GFLWMJGBGQDGTR-UHFFFAOYSA-N 0 0 449.467 3.559 50 0 IHAARN CCOc1ccc(/C=c2\sc3nc(-c4ccccc4Cl)nn3c2=O)cc1OCC ZINC000013618994 569156473 /nfs/dbraw/zinc/15/64/73/569156473.db2.gz PZDCFHDNHGKERC-PDGQHHTCSA-N 0 0 427.913 3.817 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c(C)c1 ZINC000013696530 569156678 /nfs/dbraw/zinc/15/66/78/569156678.db2.gz CXLDCJYAZNITEZ-UHFFFAOYSA-N 0 0 429.542 3.689 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1Cl ZINC000013706073 569156787 /nfs/dbraw/zinc/15/67/87/569156787.db2.gz GAZDEAFYNRYIOK-UHFFFAOYSA-N 0 0 426.839 3.784 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000013798747 569157162 /nfs/dbraw/zinc/15/71/62/569157162.db2.gz OLVXVWMDDIWYJJ-UHFFFAOYSA-N 0 0 425.554 3.513 50 0 IHAARN Cc1nn(C)c2sc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc12 ZINC000014275192 569158538 /nfs/dbraw/zinc/15/85/38/569158538.db2.gz AXAANYFKQIKWBZ-UHFFFAOYSA-N 0 0 432.571 3.679 50 0 IHAARN O=C(OCc1nc(-c2ccc(F)cc2)no1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000014365707 569158791 /nfs/dbraw/zinc/15/87/91/569158791.db2.gz PLGCBVXUMMTZTE-UHFFFAOYSA-N 0 0 430.457 3.706 50 0 IHAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3nc(CN4CCC(C)CC4)cs3)cnc12 ZINC000014527980 569159282 /nfs/dbraw/zinc/15/92/82/569159282.db2.gz RSLCWXWRZZSLCP-UHFFFAOYSA-N 0 0 439.585 3.812 50 0 IHAARN COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc32)cc1 ZINC000089626929 569159929 /nfs/dbraw/zinc/15/99/29/569159929.db2.gz YOJVUTYLYMRCJT-FYYLOGMGSA-N 0 0 426.538 3.613 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)c1 ZINC000089624068 569160141 /nfs/dbraw/zinc/16/01/41/569160141.db2.gz UPMZTJVVZJCKOM-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000089662320 569160980 /nfs/dbraw/zinc/16/09/80/569160980.db2.gz BLBCPFQBRMRXIS-AZUAARDMSA-N 0 0 426.517 3.535 50 0 IHAARN O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000089787578 569163146 /nfs/dbraw/zinc/16/31/46/569163146.db2.gz SAPCPGVOUUOALM-ZDUSSCGKSA-N 0 0 444.297 3.695 50 0 IHAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCCC(C)C)c3c2=O)cc1 ZINC000016842137 569163361 /nfs/dbraw/zinc/16/33/61/569163361.db2.gz NQOUYRMYRCSYNH-UHFFFAOYSA-N 0 0 446.551 3.879 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(SCc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000016843120 569163577 /nfs/dbraw/zinc/16/35/77/569163577.db2.gz SSHQIPUNBSXENW-UHFFFAOYSA-N 0 0 439.928 3.784 50 0 IHAARN O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000089793893 569164004 /nfs/dbraw/zinc/16/40/04/569164004.db2.gz UKMNGGBEKSWCLM-UHFFFAOYSA-N 0 0 432.311 3.929 50 0 IHAARN O=C(Nc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000016847622 569164055 /nfs/dbraw/zinc/16/40/55/569164055.db2.gz BZVXBGPRTSJUKP-UHFFFAOYSA-N 0 0 430.867 3.598 50 0 IHAARN O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000016851230 569165028 /nfs/dbraw/zinc/16/50/28/569165028.db2.gz QIPKKTVWBGBKGY-UHFFFAOYSA-N 0 0 437.308 3.962 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1CCn1c(=O)oc2cccnc21 ZINC000089807765 569165070 /nfs/dbraw/zinc/16/50/70/569165070.db2.gz MUXCLABRUAZHOH-INIZCTEOSA-N 0 0 435.311 3.790 50 0 IHAARN O=C(C[C@H]1OC(=O)c2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 ZINC000089857844 569165863 /nfs/dbraw/zinc/16/58/63/569165863.db2.gz CXKGPAMUVIMRFD-GOSISDBHSA-N 0 0 430.298 3.873 50 0 IHAARN COC(=O)c1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000016917460 569166252 /nfs/dbraw/zinc/16/62/52/569166252.db2.gz WPTBSJKFQHEHCG-UHFFFAOYSA-N 0 0 443.912 3.548 50 0 IHAARN C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000089894527 569166693 /nfs/dbraw/zinc/16/66/93/569166693.db2.gz SIWNXXBISAXXON-MRXNPFEDSA-N 0 0 440.487 3.732 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN(Cc1ccc(N3CCC[C@@H]3C)nc1)C(C)C)[nH]c2=O ZINC000089929876 569167898 /nfs/dbraw/zinc/16/78/98/569167898.db2.gz NHQULQBHGBGQLV-KRWDZBQOSA-N 0 0 449.555 3.504 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1OC ZINC000016960030 569168089 /nfs/dbraw/zinc/16/80/89/569168089.db2.gz YYFBLIAVBPSRCY-UHFFFAOYSA-N 0 0 442.493 3.691 50 0 IHAARN COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)nn1 ZINC000016960165 569168093 /nfs/dbraw/zinc/16/80/93/569168093.db2.gz JEQRTSOHMARIRI-UHFFFAOYSA-N 0 0 425.388 3.852 50 0 IHAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(-c3csc(C)n3)c1)C2=O ZINC000089948245 569168564 /nfs/dbraw/zinc/16/85/64/569168564.db2.gz VLBRNKQWTTUOKA-UHFFFAOYSA-N 0 0 426.542 3.948 50 0 IHAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCc1ccc2c(c1)OCO2 ZINC000016978514 569169274 /nfs/dbraw/zinc/16/92/74/569169274.db2.gz HRDBCOKNZYTDST-UHFFFAOYSA-N 0 0 430.530 3.575 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000089980269 569169975 /nfs/dbraw/zinc/16/99/75/569169975.db2.gz GITMOONHVIOCLR-UHFFFAOYSA-N 0 0 444.340 3.649 50 0 IHAARN CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)Nc3ccccc3Cl)cc2n1C ZINC000089984788 569169993 /nfs/dbraw/zinc/16/99/93/569169993.db2.gz YSTQPSSOTOFNRD-UHFFFAOYSA-N 0 0 428.297 3.858 50 0 IHAARN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000089983630 569170001 /nfs/dbraw/zinc/17/00/01/569170001.db2.gz PMNOSDACLXBVMK-UKRRQHHQSA-N 0 0 429.344 3.551 50 0 IHAARN Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000017010572 569170339 /nfs/dbraw/zinc/17/03/39/569170339.db2.gz RWJKGZPCDIMGHB-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1C ZINC000017011358 569170361 /nfs/dbraw/zinc/17/03/61/569170361.db2.gz KQDNGEUSWHWCDQ-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)n2)cc1 ZINC000017012364 569170437 /nfs/dbraw/zinc/17/04/37/569170437.db2.gz ABNHUCQHFJPNKI-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN Cc1cccc(C)c1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000017135769 569174522 /nfs/dbraw/zinc/17/45/22/569174522.db2.gz XXZUSYSFHVRNMN-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000008952451 569174632 /nfs/dbraw/zinc/17/46/32/569174632.db2.gz MLJUILHLYWBUBB-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]12c1ccc(Cl)cc1 ZINC000017167329 569175136 /nfs/dbraw/zinc/17/51/36/569175136.db2.gz CCPRXSMQSZTWCJ-TWOQFEAHSA-N 0 0 448.700 3.723 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000002871810 569177595 /nfs/dbraw/zinc/17/75/95/569177595.db2.gz LHYWOJPTJBYIJM-KRWDZBQOSA-N 0 0 446.212 3.734 50 0 IHAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000002098497 569179406 /nfs/dbraw/zinc/17/94/06/569179406.db2.gz ORDXMSHQXHTAPL-OFVILXPXSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN CC[C@H](C)N1CC(=O)N2[C@H](c3cccc(OC)c3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002100647 569179648 /nfs/dbraw/zinc/17/96/48/569179648.db2.gz KOFQMJHFDMHQST-IJHUGTEESA-N 0 0 447.535 3.669 50 0 biogenic IHAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002109626 569181889 /nfs/dbraw/zinc/18/18/89/569181889.db2.gz HHJIRPBCFIQOJU-RAWGQGSESA-N 0 0 427.541 3.975 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3-c3csc(C)n3)cn2)cc1 ZINC000208010392 569184686 /nfs/dbraw/zinc/18/46/86/569184686.db2.gz BFQZWIMZUOQYAT-UHFFFAOYSA-N 0 0 432.505 3.990 50 0 IHAARN O=C(c1ccc(OC2CCOCC2)nc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000252489558 569186683 /nfs/dbraw/zinc/18/66/83/569186683.db2.gz JTGSNARXDSPLRK-UHFFFAOYSA-N 0 0 436.339 3.909 50 0 IHAARN C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000252506131 569188371 /nfs/dbraw/zinc/18/83/71/569188371.db2.gz QKQKFAGIRXZXMD-QBIMZIAESA-N 0 0 434.462 3.921 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002193943 569190802 /nfs/dbraw/zinc/19/08/02/569190802.db2.gz HUFCRCIVCJTWQI-JOCHJYFZSA-N 0 0 432.451 3.809 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)cc1C ZINC000037399048 569194275 /nfs/dbraw/zinc/19/42/75/569194275.db2.gz JBMTZJNKBDUMAK-IBGZPJMESA-N 0 0 427.504 3.647 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@H](C)c3ccccc3)c2=O)cc1Cl ZINC000037399641 569194659 /nfs/dbraw/zinc/19/46/59/569194659.db2.gz TXOXXBANHOQGBF-QGZVFWFLSA-N 0 0 447.922 3.992 50 0 IHAARN CC(C)S(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1 ZINC000037400181 569194839 /nfs/dbraw/zinc/19/48/39/569194839.db2.gz OZOJDNGRQOQGGR-IBGZPJMESA-N 0 0 435.517 3.764 50 0 IHAARN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426321 569195799 /nfs/dbraw/zinc/19/57/99/569195799.db2.gz KYZNNTCPEHBOHK-GJZGRUSLSA-N 0 0 448.976 3.688 50 0 IHAARN CC[C@@H](C(=O)NC[C@@H]1CCCO1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428289 569195988 /nfs/dbraw/zinc/19/59/88/569195988.db2.gz CFTJBJZPMGNYGD-GVAZYKTBSA-N 0 0 442.368 3.844 50 0 IHAARN COc1ccccc1Nc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)C)cs1 ZINC000037435747 569196134 /nfs/dbraw/zinc/19/61/34/569196134.db2.gz BJHWYJWJPQXHDV-GOSISDBHSA-N 0 0 438.553 3.761 50 0 IHAARN COCCNC(=O)[C@@H](C)n1c2ccc(C)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000037435840 569196136 /nfs/dbraw/zinc/19/61/36/569196136.db2.gz WMGSJJNTNUOUKK-YXHKKPSTSA-N 0 0 431.945 3.729 50 0 IHAARN COc1ccccc1Nc1nc(C(=O)N(CC(=O)NC2CC2)Cc2ccccc2)cs1 ZINC000037438559 569196378 /nfs/dbraw/zinc/19/63/78/569196378.db2.gz ULOQAPXHZSDNHE-UHFFFAOYSA-N 0 0 436.537 3.816 50 0 IHAARN Cc1cn(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)/c(=N/C(=O)c2cccc(C)c2)s1 ZINC000037437949 569196382 /nfs/dbraw/zinc/19/63/82/569196382.db2.gz FFJKSCKBTVVVGZ-YMVPSHTBSA-N 0 0 449.576 3.865 50 0 IHAARN COc1cccc(CN(C[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)NC(C)C)c1 ZINC000037442099 569197071 /nfs/dbraw/zinc/19/70/71/569197071.db2.gz RVMOAFNBKHXFJS-HXUWFJFHSA-N 0 0 441.528 3.826 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Br)c2)[C@@H](C)C1=O ZINC000037522595 569198489 /nfs/dbraw/zinc/19/84/89/569198489.db2.gz KRMCFQFTECHEQY-LBPRGKRZSA-N 0 0 437.721 3.989 50 0 IHAARN COc1ccccc1Oc1cc(N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)ncn1 ZINC000037623480 569203333 /nfs/dbraw/zinc/20/33/33/569203333.db2.gz ZATGESHOFRPGQF-IBGZPJMESA-N 0 0 448.523 3.531 50 0 IHAARN CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000027395528 569204457 /nfs/dbraw/zinc/20/44/57/569204457.db2.gz JBUHBVFMNDATGA-DTQAZKPQSA-N 0 0 443.569 3.509 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c2c1OCO2 ZINC000066089602 569205699 /nfs/dbraw/zinc/20/56/99/569205699.db2.gz ACROJBDJGBUNOY-ZDUSSCGKSA-N 0 0 427.844 3.746 50 0 IHAARN CCOc1cc(Br)c(C=c2sc3nc4ccccc4n3c2=O)cc1OC ZINC000252667088 569209692 /nfs/dbraw/zinc/20/96/92/569209692.db2.gz CQLCVRCLNHUTFO-UHFFFAOYSA-N 0 0 431.311 3.627 50 0 IHAARN Cc1cc2nc3sc(=Cc4cc5c(cc4Br)OCO5)c(=O)n3c2cc1C ZINC000252676423 569210351 /nfs/dbraw/zinc/21/03/51/569210351.db2.gz XAPSNQMIGCAGJR-UHFFFAOYSA-N 0 0 429.295 3.565 50 0 IHAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 ZINC000002231595 569210668 /nfs/dbraw/zinc/21/06/68/569210668.db2.gz NQDWLJXYRCCWIN-DLBZAZTESA-N 0 0 437.887 3.740 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002249883 569214811 /nfs/dbraw/zinc/21/48/11/569214811.db2.gz CYGSIFGDUIMDIJ-HKUYNNGSSA-N 0 0 432.542 3.942 50 0 IHAARN CCOc1cccc2cc(C(=O)NCCOc3ccc(-c4ccc(C)cc4)nn3)c(=O)oc21 ZINC000011024054 569217247 /nfs/dbraw/zinc/21/72/47/569217247.db2.gz FWKVJTNSLJAJGI-UHFFFAOYSA-N 0 0 445.475 3.766 50 0 IHAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357612 569263821 /nfs/dbraw/zinc/26/38/21/569263821.db2.gz PBLXVDNSLUFVHF-BYSNVZIVSA-N 0 0 446.628 3.944 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 ZINC000253402627 569265022 /nfs/dbraw/zinc/26/50/22/569265022.db2.gz OMMPOWQIZOMDTO-QGZVFWFLSA-N 0 0 436.339 3.827 50 0 IHAARN COc1cc(OC)c(OC)cc1CNn1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000027531306 569265949 /nfs/dbraw/zinc/26/59/49/569265949.db2.gz PNWWRZVMXSWZFP-UHFFFAOYSA-N 0 0 435.455 3.972 50 0 IHAARN N=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000027531916 569266263 /nfs/dbraw/zinc/26/62/63/569266263.db2.gz WBHOXNCTNKCSJI-DGSKDPMDSA-N 0 0 447.266 3.962 50 0 IHAARN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000253418325 569266704 /nfs/dbraw/zinc/26/67/04/569266704.db2.gz CHNJWSGXPNKPLY-FQEVSTJZSA-N 0 0 443.544 3.700 50 0 IHAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000061935569 569286648 /nfs/dbraw/zinc/28/66/48/569286648.db2.gz KSJWHWCALXYLOX-UHFFFAOYSA-N 0 0 444.894 3.508 50 0 IHAARN COC(=O)c1cn(-c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)cc2c(=O)[nH]nc1-2 ZINC000253400925 569288973 /nfs/dbraw/zinc/28/89/73/569288973.db2.gz FFMHTTVIERLLNM-UHFFFAOYSA-N 0 0 436.811 3.619 50 0 IHAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1C ZINC000253411061 569288989 /nfs/dbraw/zinc/28/89/89/569288989.db2.gz ODEZVKRZZZSYOR-QFIPXVFZSA-N 0 0 444.535 3.629 50 0 IHAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008855743 569291316 /nfs/dbraw/zinc/29/13/16/569291316.db2.gz QPWHZYRMBPKFNB-AATRIKPKSA-N 0 0 432.948 3.766 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)cc1 ZINC000002382407 569293519 /nfs/dbraw/zinc/29/35/19/569293519.db2.gz DDROPWMJEDSOIZ-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F ZINC000009439456 569296360 /nfs/dbraw/zinc/29/63/60/569296360.db2.gz DCXMRMXTMIOWAD-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000009791593 569297992 /nfs/dbraw/zinc/29/79/92/569297992.db2.gz QHGVBPYUXQXODO-WEVVVXLNSA-N 0 0 429.325 3.904 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N ZINC000002415049 569301371 /nfs/dbraw/zinc/30/13/71/569301371.db2.gz RUMRGSSZBACPPJ-UHFFFAOYSA-N 0 0 427.530 3.576 50 0 IHAARN COc1ccc(CCn2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002417406 569301477 /nfs/dbraw/zinc/30/14/77/569301477.db2.gz SHDKTUKEYJCUKY-GOSISDBHSA-N 0 0 446.507 3.754 50 0 IHAARN CCOC(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@H](C)CC3)OCC ZINC000002426888 569302667 /nfs/dbraw/zinc/30/26/67/569302667.db2.gz ANOXGFAUBRLYQZ-LLVKDONJSA-N 0 0 432.575 3.506 50 0 IHAARN O=S(=O)(NN=c1[nH]c2ccccc2nc1C(F)(F)F)c1ccc(Br)cc1 ZINC000012961415 569305460 /nfs/dbraw/zinc/30/54/60/569305460.db2.gz CNVWLEXTKKFHGL-UHFFFAOYSA-N 0 0 447.236 3.717 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c(C)c1 ZINC000012979480 569305746 /nfs/dbraw/zinc/30/57/46/569305746.db2.gz AQBNCLALSVFCQV-UHFFFAOYSA-N 0 0 429.904 3.660 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCOc2ccc(OCC)cc2)c1C ZINC000012993716 569306081 /nfs/dbraw/zinc/30/60/81/569306081.db2.gz FCPNBEXPWCYAHI-MRXNPFEDSA-N 0 0 431.485 3.790 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3cccnc32)c(Br)c1 ZINC000013007940 569306516 /nfs/dbraw/zinc/30/65/16/569306516.db2.gz BKCFMAGKMDBZLU-UHFFFAOYSA-N 0 0 436.283 3.942 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000013009953 569306776 /nfs/dbraw/zinc/30/67/76/569306776.db2.gz NDBPPFKWOGFHEK-UHFFFAOYSA-N 0 0 436.497 3.605 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2cc(C)ccc2OC(F)F)c1 ZINC000013014804 569307021 /nfs/dbraw/zinc/30/70/21/569307021.db2.gz XERITWAIHNFUES-UHFFFAOYSA-N 0 0 434.395 3.553 50 0 IHAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013097233 569309701 /nfs/dbraw/zinc/30/97/01/569309701.db2.gz YYTLORQNANLDSQ-UHFFFAOYSA-N 0 0 440.487 3.765 50 0 IHAARN COc1cc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc(OC)c1OC ZINC000013112232 569310416 /nfs/dbraw/zinc/31/04/16/569310416.db2.gz HPWSCLAYQOCCNJ-ZDUSSCGKSA-N 0 0 429.498 3.906 50 0 IHAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)c1ccc(F)cc1 ZINC000013354972 569313528 /nfs/dbraw/zinc/31/35/28/569313528.db2.gz URGDKKXPLDMJOV-OAHLLOKOSA-N 0 0 433.555 3.842 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)cc(=O)n2o1 ZINC000013368487 569314589 /nfs/dbraw/zinc/31/45/89/569314589.db2.gz LAPPNSZFOHFTJZ-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000070698544 569315959 /nfs/dbraw/zinc/31/59/59/569315959.db2.gz FPDXMWHJGOCDQJ-FETCCXJJSA-N 0 0 436.633 3.927 50 0 biogenic IHAARN O=C(c1ccc(O)cc1)C1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000078808795 569319184 /nfs/dbraw/zinc/31/91/84/569319184.db2.gz HQZHSTBSJROWHD-FQEVSTJZSA-N 0 0 448.441 3.991 50 0 IHAARN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 ZINC000078814432 569319276 /nfs/dbraw/zinc/31/92/76/569319276.db2.gz GBLOGLAVEUQFBT-VXKWHMMOSA-N 0 0 435.524 3.912 50 0 IHAARN CCOc1ccc(-c2noc(CN(C)c3ccc(C(=O)N4CCOCC4)cc3C)n2)cc1 ZINC000079014212 569322002 /nfs/dbraw/zinc/32/20/02/569322002.db2.gz AFMYTZBGQJXFOU-UHFFFAOYSA-N 0 0 436.512 3.553 50 0 IHAARN CCN(CCN(C)CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000079022887 569322479 /nfs/dbraw/zinc/32/24/79/569322479.db2.gz MQWBYMVDOAPZBR-UHFFFAOYSA-N 0 0 443.539 3.708 50 0 IHAARN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000079022724 569322484 /nfs/dbraw/zinc/32/24/84/569322484.db2.gz TVJOCIDVNVBXQE-OAHLLOKOSA-N 0 0 437.496 3.683 50 0 IHAARN O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1nnc(C2CC2)n1Cc1ccccc1 ZINC000079024196 569322636 /nfs/dbraw/zinc/32/26/36/569322636.db2.gz VSGWDDLSVNHSEQ-UHFFFAOYSA-N 0 0 438.484 3.972 50 0 IHAARN COc1ccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000019601409 569322927 /nfs/dbraw/zinc/32/29/27/569322927.db2.gz LLMAKVZXCXEYNP-UHFFFAOYSA-N 0 0 440.521 3.647 50 0 IHAARN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 ZINC000079045220 569323069 /nfs/dbraw/zinc/32/30/69/569323069.db2.gz QTMPOHUDHAIJKK-JOCHJYFZSA-N 0 0 429.520 3.949 50 0 IHAARN CO[C@H](C)c1nc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 ZINC000079053458 569323517 /nfs/dbraw/zinc/32/35/17/569323517.db2.gz HZPDTJDQJSVMKC-CQSZACIVSA-N 0 0 440.972 3.789 50 0 IHAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cc(OC)c4c(c3)OCCO4)n2)c1 ZINC000079054499 569323575 /nfs/dbraw/zinc/32/35/75/569323575.db2.gz CAISNIQMAOCXDP-IBGZPJMESA-N 0 0 435.480 3.842 50 0 IHAARN CN(Cc1ccccc1NC(=O)CSc1ccncc1)C(=O)CSc1ccncc1 ZINC000079056297 569323694 /nfs/dbraw/zinc/32/36/94/569323694.db2.gz NSYIARKLPTUWOJ-UHFFFAOYSA-N 0 0 438.578 3.958 50 0 IHAARN Cc1cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C[C@@H]2CCCO2)cs1 ZINC000019643931 569325156 /nfs/dbraw/zinc/32/51/56/569325156.db2.gz POQQMQUIZDAGMN-HNNXBMFYSA-N 0 0 445.595 3.856 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)CC[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000079095530 569325280 /nfs/dbraw/zinc/32/52/80/569325280.db2.gz TZWZGMIKTFWGJW-PZJWPPBQSA-N 0 0 428.554 3.797 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1NC(C)=O ZINC000019680939 569326337 /nfs/dbraw/zinc/32/63/37/569326337.db2.gz NRMCIRZLGRYVDF-UHFFFAOYSA-N 0 0 425.462 3.652 50 0 IHAARN O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079477688 569330725 /nfs/dbraw/zinc/33/07/25/569330725.db2.gz URXVVVHDVCDMIH-INIZCTEOSA-N 0 0 427.961 3.829 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(CN3CCCC3)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000019982589 569332287 /nfs/dbraw/zinc/33/22/87/569332287.db2.gz NVAJIGHJIVSLPL-UHFFFAOYSA-N 0 0 436.581 3.880 50 0 IHAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(C(C)=O)c1)C(F)(F)F ZINC000020032598 569332466 /nfs/dbraw/zinc/33/24/66/569332466.db2.gz QELAHHQGBBGHLL-FQEVSTJZSA-N 0 0 438.402 3.561 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020069399 569333199 /nfs/dbraw/zinc/33/31/99/569333199.db2.gz ZYABVDCPOKVHEF-ROUUACIJSA-N 0 0 436.581 3.960 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=S)N(CCCN1CCOCC1)Cc1cccnc1 ZINC000020107905 569334351 /nfs/dbraw/zinc/33/43/51/569334351.db2.gz QELVDTPKUXGAHU-UHFFFAOYSA-N 0 0 449.020 3.973 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)c1 ZINC000390829986 569354129 /nfs/dbraw/zinc/35/41/29/569354129.db2.gz HYCSZYWSBXOVIR-INIZCTEOSA-N 0 0 444.372 3.521 50 0 IHAARN O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Br)s1 ZINC000390830078 569354194 /nfs/dbraw/zinc/35/41/94/569354194.db2.gz IOXACSGSXSROON-JTQLQIEISA-N 0 0 434.358 3.844 50 0 IHAARN CC(C)Sc1ccc(CC(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cc1 ZINC000390831778 569354423 /nfs/dbraw/zinc/35/44/23/569354423.db2.gz UWPUFMTYCKDXJD-UHFFFAOYSA-N 0 0 428.583 3.760 50 0 IHAARN O=C(CCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000390831597 569354427 /nfs/dbraw/zinc/35/44/27/569354427.db2.gz STNQFKAIHSQOBK-HXUWFJFHSA-N 0 0 437.920 3.830 50 0 IHAARN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)CC1 ZINC000390834967 569354547 /nfs/dbraw/zinc/35/45/47/569354547.db2.gz XWHFAMPRUKSDRK-FKBYEOEOSA-N 0 0 447.583 3.535 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241780 569358064 /nfs/dbraw/zinc/35/80/64/569358064.db2.gz HPRVALKFEPYRKT-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000095100960 569358179 /nfs/dbraw/zinc/35/81/79/569358179.db2.gz SPKITCROTAQRDY-XMMPIXPASA-N 0 0 433.552 3.812 50 0 IHAARN CCN1c2cc(C(=O)N3CCc4ccccc4C3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242941 569358307 /nfs/dbraw/zinc/35/83/07/569358307.db2.gz LRIMJOOHNIRTAN-UHFFFAOYSA-N 0 0 446.528 3.698 50 0 IHAARN COc1ccccc1CNC(=O)CN(C(=O)C1=C(C)OCCS1)c1ccc(Cl)cc1 ZINC000020413740 569364186 /nfs/dbraw/zinc/36/41/86/569364186.db2.gz NYBOLCYLLXFJDK-UHFFFAOYSA-N 0 0 446.956 3.993 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417353 569364900 /nfs/dbraw/zinc/36/49/00/569364900.db2.gz KBEZJIGBJXVAFV-WJONJSRFSA-N 0 0 438.547 3.943 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417518 569365042 /nfs/dbraw/zinc/36/50/42/569365042.db2.gz DTXSRGRKCODDPD-QGZVFWFLSA-N 0 0 446.526 3.922 50 0 IHAARN Cc1nnc(-c2cccc(NC(=O)Cc3cc4c(cc3Br)OCCO4)c2)n1C ZINC000095430981 569366211 /nfs/dbraw/zinc/36/62/11/569366211.db2.gz KKYMJPGSKSSNML-UHFFFAOYSA-N 0 0 443.301 3.505 50 0 IHAARN CC(C)c1nccc(C2CCN(C(=O)[C@H](C)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 ZINC000095431196 569366254 /nfs/dbraw/zinc/36/62/54/569366254.db2.gz DGUZIBWMPALZAB-IBGZPJMESA-N 0 0 439.579 3.656 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 ZINC000095441121 569366770 /nfs/dbraw/zinc/36/67/70/569366770.db2.gz NBLHQWKARXZZIG-IFMALSPDSA-N 0 0 441.528 3.748 50 0 IHAARN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 ZINC000095444842 569367065 /nfs/dbraw/zinc/36/70/65/569367065.db2.gz MTGAZERGVWTLIG-QGZVFWFLSA-N 0 0 448.633 3.945 50 0 IHAARN Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 ZINC000095452753 569368061 /nfs/dbraw/zinc/36/80/61/569368061.db2.gz DDJUJXYCHHYRPQ-IRLDBZIGSA-N 0 0 433.556 3.738 50 0 IHAARN O=C(NCc1ccccc1)NC1(C(=O)NCCSCc2ccnc(Cl)c2)CCCC1 ZINC000095458534 569369260 /nfs/dbraw/zinc/36/92/60/569369260.db2.gz WOVLAEXDCZHAQX-UHFFFAOYSA-N 0 0 447.004 3.897 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)s2)cs1 ZINC000095461612 569369842 /nfs/dbraw/zinc/36/98/42/569369842.db2.gz BKTIUSFHZRDWMA-CYBMUJFWSA-N 0 0 435.600 3.675 50 0 IHAARN CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)cc12 ZINC000095465550 569370805 /nfs/dbraw/zinc/37/08/05/569370805.db2.gz FEHSLRYIEXXFTC-UHFFFAOYSA-N 0 0 426.542 3.607 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc(-c3cccs3)cs1)C=C2 ZINC000095472370 569372110 /nfs/dbraw/zinc/37/21/10/569372110.db2.gz TXKOGVYKKMSBFP-UHFFFAOYSA-N 0 0 441.534 3.883 50 0 IHAARN CCCCc1nc(C)sc1C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000095477466 569373249 /nfs/dbraw/zinc/37/32/49/569373249.db2.gz XUECPHDUZZPWKT-UHFFFAOYSA-N 0 0 447.601 3.778 50 0 IHAARN COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095477589 569373293 /nfs/dbraw/zinc/37/32/93/569373293.db2.gz ZDDOGVDAIZLSBN-CYBMUJFWSA-N 0 0 434.901 3.720 50 0 IHAARN Cc1csc(-c2cccc(CNC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)c2)n1 ZINC000095478362 569373514 /nfs/dbraw/zinc/37/35/14/569373514.db2.gz ZIQRDMAWLRZNFU-LJQANCHMSA-N 0 0 434.521 3.915 50 0 IHAARN COc1ccc(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000095480729 569373910 /nfs/dbraw/zinc/37/39/10/569373910.db2.gz BEXWLJHQHHUACB-ZEQRLZLVSA-N 0 0 428.488 3.605 50 0 IHAARN O=C(CSc1ccc(Cl)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000095946952 569376226 /nfs/dbraw/zinc/37/62/26/569376226.db2.gz PVOBTFDQPWKAGT-UHFFFAOYSA-N 0 0 439.718 3.946 50 0 IHAARN O=C(COc1cc(C(F)(F)F)nc2ccc(I)cc21)NC1CC1 ZINC000095983412 569378007 /nfs/dbraw/zinc/37/80/07/569378007.db2.gz RNXLMBQFSNGOKG-UHFFFAOYSA-N 0 0 436.171 3.516 50 0 IHAARN CC(C)N1C(=O)C[C@H](C(=O)NCCc2cn3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095988721 569378057 /nfs/dbraw/zinc/37/80/57/569378057.db2.gz QYIBFUIZMLJZFA-HTAPYJJXSA-N 0 0 442.922 3.784 50 0 IHAARN COC(=O)c1cc(CNc2ccc(Br)c(I)c2)c[nH]1 ZINC000095997193 569378938 /nfs/dbraw/zinc/37/89/38/569378938.db2.gz HSTYXVOGBSWSFK-UHFFFAOYSA-N 0 0 435.059 3.781 50 0 IHAARN C[C@H](NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)c1ccc(Cl)cc1 ZINC000096006680 569379479 /nfs/dbraw/zinc/37/94/79/569379479.db2.gz BIOLLDCAYLHMMT-ZEDHKUJTSA-N 0 0 428.838 3.503 50 0 IHAARN Cc1ccc(/C=C\S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)cc1 ZINC000096035242 569380871 /nfs/dbraw/zinc/38/08/71/569380871.db2.gz COZJFBRVNDRYHP-KTKRTIGZSA-N 0 0 444.525 3.763 50 0 IHAARN O=c1c2ccccc2c(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1C1CCCC1 ZINC000096096335 569381181 /nfs/dbraw/zinc/38/11/81/569381181.db2.gz XMPAGZDXMYRDSQ-UHFFFAOYSA-N 0 0 435.908 3.783 50 0 IHAARN Cc1c(C(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1 ZINC000096103491 569382026 /nfs/dbraw/zinc/38/20/26/569382026.db2.gz PRFKNGHAWDVHKL-LJQANCHMSA-N 0 0 429.929 3.523 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103482 569382043 /nfs/dbraw/zinc/38/20/43/569382043.db2.gz ZGNGZEMHLANXDE-KRWDZBQOSA-N 0 0 442.762 3.720 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104266 569382082 /nfs/dbraw/zinc/38/20/82/569382082.db2.gz RWDQRIDRSWFFIO-UHFFFAOYSA-N 0 0 434.876 3.741 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc(Cl)ccc4F)CC3)C2=O)cc1 ZINC000096105336 569382302 /nfs/dbraw/zinc/38/23/02/569382302.db2.gz ZPFRNBGBTJAIFG-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)Cc4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000096105582 569382569 /nfs/dbraw/zinc/38/25/69/569382569.db2.gz BFOVYEBHUJLCHB-UHFFFAOYSA-N 0 0 439.943 3.613 50 0 IHAARN COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[nH][nH]c1=O)c1coc2ccccc2c1=O ZINC000096114581 569382886 /nfs/dbraw/zinc/38/28/86/569382886.db2.gz SXBHXLPRQRUBFH-QGZVFWFLSA-N 0 0 434.448 3.516 50 0 biogenic IHAARN COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[nH][nH]c1=O)c1coc2ccccc2c1=O ZINC000096114580 569382899 /nfs/dbraw/zinc/38/28/99/569382899.db2.gz SXBHXLPRQRUBFH-KRWDZBQOSA-N 0 0 434.448 3.516 50 0 biogenic IHAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H]1CCOC(C)(C)C1)C(=O)OC2 ZINC000096114952 569383027 /nfs/dbraw/zinc/38/30/27/569383027.db2.gz GNVNPMSQXFIVMN-CQMBDMNQSA-N 0 0 431.529 3.722 50 0 biogenic IHAARN O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1c[nH]nc1-c1ccccc1)SCC(=O)N2 ZINC000096117418 569384154 /nfs/dbraw/zinc/38/41/54/569384154.db2.gz JPMWACCJTQWRAC-GOSISDBHSA-N 0 0 427.555 3.822 50 0 IHAARN CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)CC1 ZINC000096117965 569384492 /nfs/dbraw/zinc/38/44/92/569384492.db2.gz XWHFAMPRUKSDRK-LZBANZJXSA-N 0 0 447.583 3.535 50 0 IHAARN O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000096119824 569384785 /nfs/dbraw/zinc/38/47/85/569384785.db2.gz IDLMFNIOIGGJKI-UHFFFAOYSA-N 0 0 431.413 3.949 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124038 569385339 /nfs/dbraw/zinc/38/53/39/569385339.db2.gz PMWPOYCKLWLHCO-UHFFFAOYSA-N 0 0 441.535 3.962 50 0 IHAARN CC[C@H]1Sc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000096124743 569385516 /nfs/dbraw/zinc/38/55/16/569385516.db2.gz ULDYAANSNSERNA-GOSISDBHSA-N 0 0 446.550 3.515 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3CC(C)C)C2)cc1Cl ZINC000096125411 569385617 /nfs/dbraw/zinc/38/56/17/569385617.db2.gz ZBHHLCZJQPSTJV-OAHLLOKOSA-N 0 0 448.976 3.928 50 0 IHAARN CC(C)Cn1c(C[C@@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125019 569385647 /nfs/dbraw/zinc/38/56/47/569385647.db2.gz UISQVLPURLILMC-HNNXBMFYSA-N 0 0 434.512 3.619 50 0 IHAARN C/C(=C\C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000096130207 569385867 /nfs/dbraw/zinc/38/58/67/569385867.db2.gz UUHCUZPYJHAGKS-FBMGVBCBSA-N 0 0 448.567 3.747 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)C(C)C)cc1 ZINC000096211350 569386747 /nfs/dbraw/zinc/38/67/47/569386747.db2.gz NHXMGUHUTQPSPV-OSPHWJPCSA-N 0 0 426.557 3.973 50 0 IHAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000096274270 569388108 /nfs/dbraw/zinc/38/81/08/569388108.db2.gz WLFDFCHBIKQDFS-IBGZPJMESA-N 0 0 447.457 3.918 50 0 IHAARN Cc1cc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)C2CC2)ccc1F ZINC000096281563 569389908 /nfs/dbraw/zinc/38/99/08/569389908.db2.gz JTFXIYHBZLDUJM-CTNGQTDRSA-N 0 0 438.499 3.869 50 0 IHAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(C)C ZINC000096290474 569390951 /nfs/dbraw/zinc/39/09/51/569390951.db2.gz HQHQBGJAFUUBDT-UHFFFAOYSA-N 0 0 425.934 3.800 50 0 IHAARN O=C(c1ccccc1)N(C[C@@H]1CCCO1)C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000096294493 569391764 /nfs/dbraw/zinc/39/17/64/569391764.db2.gz YEZHYBBSTDRTIU-PMACEKPBSA-N 0 0 442.943 3.502 50 0 IHAARN COCCn1c(C[C@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2cccnc21 ZINC000096310573 569392566 /nfs/dbraw/zinc/39/25/66/569392566.db2.gz OKBDHIOPMPCLQD-OAHLLOKOSA-N 0 0 430.911 3.504 50 0 IHAARN CCCn1c(=O)[nH]c2cc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21 ZINC000096321568 569394140 /nfs/dbraw/zinc/39/41/40/569394140.db2.gz GZEVBVJQULRQDS-AWEZNQCLSA-N 0 0 437.887 3.964 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(F)c5)no4)ccn3n2)cc1 ZINC000096322241 569394481 /nfs/dbraw/zinc/39/44/81/569394481.db2.gz DSHROHKSDLYWQH-UHFFFAOYSA-N 0 0 431.427 3.799 50 0 IHAARN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCc1ccc(F)cc1 ZINC000096322309 569394610 /nfs/dbraw/zinc/39/46/10/569394610.db2.gz BPEOJZVPIHYAAX-UHFFFAOYSA-N 0 0 432.434 3.571 50 0 IHAARN COc1ccccc1NC(=O)CN1CCc2[nH]c3c(OC)ccc(Cl)c3c(=O)c2C1 ZINC000096326899 569396276 /nfs/dbraw/zinc/39/62/76/569396276.db2.gz GJPVOIGROJWXPE-UHFFFAOYSA-N 0 0 427.888 3.608 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)[C@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)c2c1 ZINC000096355836 569397358 /nfs/dbraw/zinc/39/73/58/569397358.db2.gz OUYYKVDDDRJKEE-INIZCTEOSA-N 0 0 427.508 3.598 50 0 IHAARN C[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096355837 569397442 /nfs/dbraw/zinc/39/74/42/569397442.db2.gz PFHFJRFYRSOLCC-AWEZNQCLSA-N 0 0 447.926 3.943 50 0 IHAARN CCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000096372677 569397946 /nfs/dbraw/zinc/39/79/46/569397946.db2.gz QPFFZIXEGBPWNY-UHFFFAOYSA-N 0 0 445.969 3.530 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000096374215 569398078 /nfs/dbraw/zinc/39/80/78/569398078.db2.gz XXNMTKMYBKGYMO-UHFFFAOYSA-N 0 0 433.526 3.606 50 0 IHAARN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000096375715 569398179 /nfs/dbraw/zinc/39/81/79/569398179.db2.gz XMWZOYKXTRIYRA-UFRUDQCGSA-N 0 0 439.986 3.736 50 0 IHAARN CCCn1cc(C2=CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)c2cccnc21 ZINC000096386510 569398654 /nfs/dbraw/zinc/39/86/54/569398654.db2.gz MZTRGSYNCJXWON-UHFFFAOYSA-N 0 0 439.537 3.711 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c1 ZINC000096386837 569398729 /nfs/dbraw/zinc/39/87/29/569398729.db2.gz BDLQVTBWGOBNMW-UHFFFAOYSA-N 0 0 441.553 3.971 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)[nH]n2)c1 ZINC000096386846 569398760 /nfs/dbraw/zinc/39/87/60/569398760.db2.gz DRGBDBASLZARQF-UHFFFAOYSA-N 0 0 439.537 3.856 50 0 IHAARN CCc1nc2cc(N3CCC(C(=O)NCc4cc(F)cc(F)c4)CC3)cnc2nc1CC ZINC000096387425 569398967 /nfs/dbraw/zinc/39/89/67/569398967.db2.gz CNWGGCLPWJQMKV-UHFFFAOYSA-N 0 0 439.510 3.961 50 0 IHAARN CCCCN1CCN(C(=O)c2c(C)oc3ccn(Cc4cccc(F)c4)c(=O)c32)CC1 ZINC000096396512 569399147 /nfs/dbraw/zinc/39/91/47/569399147.db2.gz NDASTFGRXYTIET-UHFFFAOYSA-N 0 0 425.504 3.648 50 0 IHAARN Cc1cc(C)c2c(n1)nc(C(=O)N1CCC(Cc3ccccc3)CC1)nc2N1CCOCC1 ZINC000096396776 569399213 /nfs/dbraw/zinc/39/92/13/569399213.db2.gz JDMLXVVYONRIFG-UHFFFAOYSA-N 0 0 445.567 3.573 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c(C)c1 ZINC000096396946 569399232 /nfs/dbraw/zinc/39/92/32/569399232.db2.gz PHIJMOYVCKDALW-UHFFFAOYSA-N 0 0 425.529 3.946 50 0 IHAARN NC(=O)C1CCN(c2ccc(NC(=O)/C=C\c3cc(Br)ccc3F)cc2)CC1 ZINC000096402604 569400466 /nfs/dbraw/zinc/40/04/66/569400466.db2.gz GBRCAQZBCNACPZ-QPIMQUGISA-N 0 0 446.320 3.942 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)/C=C\c3ccc(Br)o3)cc(=O)oc2c1 ZINC000096402972 569400541 /nfs/dbraw/zinc/40/05/41/569400541.db2.gz BQCZNYUJAOPBLJ-DAXSKMNVSA-N 0 0 432.226 3.864 50 0 IHAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000096437976 569400599 /nfs/dbraw/zinc/40/05/99/569400599.db2.gz YQBUSTJGURRCHS-BGYRXZFFSA-N 0 0 444.572 3.788 50 0 IHAARN CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OC ZINC000096437979 569400618 /nfs/dbraw/zinc/40/06/18/569400618.db2.gz IJCABSHIDPGDTF-WOJBJXKFSA-N 0 0 444.572 3.788 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000096564622 569401342 /nfs/dbraw/zinc/40/13/42/569401342.db2.gz ALVPNRQUVZBUGO-UHFFFAOYSA-N 0 0 433.489 3.766 50 0 IHAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543351 569404040 /nfs/dbraw/zinc/40/40/40/569404040.db2.gz ZETJFPPODDLSOC-UHFFFAOYSA-N 0 0 445.498 3.585 50 0 IHAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1 ZINC000225550108 569404140 /nfs/dbraw/zinc/40/41/40/569404140.db2.gz ZDBTXBMZQYJIKR-UHFFFAOYSA-N 0 0 438.959 3.936 50 0 IHAARN CC(C)Sc1ccc(CC(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)cc1 ZINC000225581026 569404824 /nfs/dbraw/zinc/40/48/24/569404824.db2.gz QJCHNMVMFLCDCK-UHFFFAOYSA-N 0 0 439.503 3.970 50 0 IHAARN O=C(/C=C/c1ccc(Br)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000225794046 569408986 /nfs/dbraw/zinc/40/89/86/569408986.db2.gz NAKUMJFMUFQLJS-JXMROGBWSA-N 0 0 441.373 3.916 50 0 IHAARN CCOc1ccc(CN(C(=O)Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000028228297 569409170 /nfs/dbraw/zinc/40/91/70/569409170.db2.gz IQEIOUJCDWHIHO-JOCHJYFZSA-N 0 0 437.561 3.997 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002617318 569410408 /nfs/dbraw/zinc/41/04/08/569410408.db2.gz BZXFDPYAUWNFJS-UHFFFAOYSA-N 0 0 437.517 3.709 50 0 IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000002622615 569411328 /nfs/dbraw/zinc/41/13/28/569411328.db2.gz KANHXYFRZAAEIL-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000002627990 569411841 /nfs/dbraw/zinc/41/18/41/569411841.db2.gz WBLYEWHMZLGZKJ-UHFFFAOYSA-N 0 0 428.535 3.541 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000002629365 569412065 /nfs/dbraw/zinc/41/20/65/569412065.db2.gz ISZDULHJZWDMBG-LBPRGKRZSA-N 0 0 446.878 3.957 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000002631102 569412297 /nfs/dbraw/zinc/41/22/97/569412297.db2.gz ABGKTDCXJZAVLM-UHFFFAOYSA-N 0 0 432.611 3.630 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000002634121 569412745 /nfs/dbraw/zinc/41/27/45/569412745.db2.gz UNYKGCIMXSGDSN-GOSISDBHSA-N 0 0 428.945 3.975 50 0 IHAARN CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000002635178 569412884 /nfs/dbraw/zinc/41/28/84/569412884.db2.gz OPRVFDOANALKBE-UHFFFAOYSA-N 0 0 436.464 3.715 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000002635467 569412916 /nfs/dbraw/zinc/41/29/16/569412916.db2.gz XGAXIHIKNPFCGF-JOCHJYFZSA-N 0 0 429.904 3.539 50 0 IHAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000002635525 569412957 /nfs/dbraw/zinc/41/29/57/569412957.db2.gz GYLUPBDDQIGANK-UHFFFAOYSA-N 0 0 430.382 3.824 50 0 IHAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1nc2ccccc2s1 ZINC000002641021 569413669 /nfs/dbraw/zinc/41/36/69/569413669.db2.gz WRCWNCQWXZPXAV-UHFFFAOYSA-N 0 0 444.456 3.727 50 0 IHAARN Cc1cc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c(C)n1C ZINC000002642659 569413809 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3.552 50 0 IHAARN COc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000002662832 569416226 /nfs/dbraw/zinc/41/62/26/569416226.db2.gz BSXGWVRTNCMBPS-XMMPIXPASA-N 0 0 446.503 3.965 50 0 IHAARN O=c1c2cc3c(cc2n(Cc2ccccc2)cc1S(=O)(=O)c1ccc(F)cc1)OCO3 ZINC000002691978 569417116 /nfs/dbraw/zinc/41/71/16/569417116.db2.gz AHTMVXCORQPNDE-UHFFFAOYSA-N 0 0 437.448 3.750 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000002737729 569419674 /nfs/dbraw/zinc/41/96/74/569419674.db2.gz HULJIUNLDXOOIC-OVCLIPMQSA-N 0 0 434.217 3.867 50 0 IHAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 ZINC000002746690 569420186 /nfs/dbraw/zinc/42/01/86/569420186.db2.gz STYJXIJSLYDVDF-QFIPXVFZSA-N 0 0 431.448 3.726 50 0 IHAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2c1 ZINC000028818397 569421438 /nfs/dbraw/zinc/42/14/38/569421438.db2.gz TYKPBOKZDIPGHW-UHFFFAOYSA-N 0 0 427.507 3.929 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C(N)=O)C1 ZINC000002798067 569422202 /nfs/dbraw/zinc/42/22/02/569422202.db2.gz JYGXFUCAFDMREA-GFCCVEGCSA-N 0 0 428.489 3.596 50 0 IHAARN Cc1cnn(CCC2N=NC(=S)N2c2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000002808743 569422775 /nfs/dbraw/zinc/42/27/75/569422775.db2.gz MCLYKNQBIYGKJA-UHFFFAOYSA-N 0 0 434.356 3.855 50 0 IHAARN Cc1c(C(=O)NC2CCCCCC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002922543 569425392 /nfs/dbraw/zinc/42/53/92/569425392.db2.gz HIIBFUJQTCGLPU-OAHLLOKOSA-N 0 0 444.601 3.620 50 0 IHAARN COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000002927408 569425874 /nfs/dbraw/zinc/42/58/74/569425874.db2.gz KHAOJNKEBUPZEA-UHFFFAOYSA-N 0 0 434.525 3.584 50 0 IHAARN CCOc1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc(OCC)c1OCC ZINC000029084732 569426155 /nfs/dbraw/zinc/42/61/55/569426155.db2.gz VIVJBAKJHXPJQZ-OAQYLSRUSA-N 0 0 442.556 3.686 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccccc2Cl)c2ccco2)cc1 ZINC000002938629 569426570 /nfs/dbraw/zinc/42/65/70/569426570.db2.gz SBYHHWCFCXXBGX-IBGZPJMESA-N 0 0 432.929 3.968 50 0 IHAARN O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCCc1ccccc1 ZINC000002938601 569426572 /nfs/dbraw/zinc/42/65/72/569426572.db2.gz OKRIEFHFUJHXCT-LJQANCHMSA-N 0 0 432.929 3.702 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000056907910 569427548 /nfs/dbraw/zinc/42/75/48/569427548.db2.gz QQIMXSMYTISICF-UHFFFAOYSA-N 0 0 428.492 3.558 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000056945758 569428129 /nfs/dbraw/zinc/42/81/29/569428129.db2.gz VCJTYWFSPHJWNM-FQEVSTJZSA-N 0 0 429.442 3.990 50 0 IHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000057063805 569429384 /nfs/dbraw/zinc/42/93/84/569429384.db2.gz AOBVDOWUCACEEV-MRXNPFEDSA-N 0 0 438.503 3.633 50 0 IHAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000057058936 569429396 /nfs/dbraw/zinc/42/93/96/569429396.db2.gz XQFGCMNRLFXEOH-OAHLLOKOSA-N 0 0 440.931 3.757 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000057120596 569429565 /nfs/dbraw/zinc/42/95/65/569429565.db2.gz KGDBUUKQJOLCJU-KNUWZQJKSA-N 0 0 441.915 3.628 50 0 IHAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(C)(=O)=O ZINC000029418171 569430126 /nfs/dbraw/zinc/43/01/26/569430126.db2.gz MROHWGGXHUKHRO-HOTGVXAUSA-N 0 0 443.569 3.737 50 0 IHAARN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002952529 569432268 /nfs/dbraw/zinc/43/22/68/569432268.db2.gz MDCKQWKBBXJZSD-UHFFFAOYSA-N 0 0 427.504 3.699 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000029769447 569432793 /nfs/dbraw/zinc/43/27/93/569432793.db2.gz WBGDHGZKIUWRQY-UHFFFAOYSA-N 0 0 426.524 3.906 50 0 IHAARN CC[C@@H](Sc1nc2ccccc2c2nc(-c3ccccc3)nn21)C(=O)NCCCOC ZINC000002969024 569433093 /nfs/dbraw/zinc/43/30/93/569433093.db2.gz MFPHBMCHKYUPCG-LJQANCHMSA-N 0 0 435.553 3.968 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000057416619 569434286 /nfs/dbraw/zinc/43/42/86/569434286.db2.gz GCDXJRPGNOEICG-AWEZNQCLSA-N 0 0 436.314 3.834 50 0 IHAARN COc1ccc(Cn2c(SCC(=O)NCCC(C)C)nc3ccsc3c2=O)cc1 ZINC000057425924 569434446 /nfs/dbraw/zinc/43/44/46/569434446.db2.gz ZAXXAXIYHBXVAJ-UHFFFAOYSA-N 0 0 431.583 3.769 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O ZINC000057426734 569434647 /nfs/dbraw/zinc/43/46/47/569434647.db2.gz GENDKSNOEKOPEL-UHFFFAOYSA-N 0 0 437.496 3.613 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 ZINC000057426843 569434731 /nfs/dbraw/zinc/43/47/31/569434731.db2.gz BWXNYLKVQLYFAK-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)c1C ZINC000003009575 569435295 /nfs/dbraw/zinc/43/52/95/569435295.db2.gz JUINOQVLURZWPO-UHFFFAOYSA-N 0 0 445.928 3.588 50 0 IHAARN O=C(NC1CCCC1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003025353 569436212 /nfs/dbraw/zinc/43/62/12/569436212.db2.gz XXUYJVFYOVOLEU-UHFFFAOYSA-N 0 0 437.359 3.600 50 0 IHAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1 ZINC000057486432 569436468 /nfs/dbraw/zinc/43/64/68/569436468.db2.gz PRQCRTVFIRUQOW-UHFFFAOYSA-N 0 0 449.532 3.619 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000057489913 569437086 /nfs/dbraw/zinc/43/70/86/569437086.db2.gz OHJYACVPRZXSOY-UHFFFAOYSA-N 0 0 435.505 3.560 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1 ZINC000057490275 569437119 /nfs/dbraw/zinc/43/71/19/569437119.db2.gz XNZMLMXOUXTRBR-UHFFFAOYSA-N 0 0 431.517 3.650 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2OC)c1=O)c1cccc(C)c1 ZINC000057490686 569437189 /nfs/dbraw/zinc/43/71/89/569437189.db2.gz MMJXLKFGKTXEBQ-UHFFFAOYSA-N 0 0 449.532 3.584 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000057490942 569437232 /nfs/dbraw/zinc/43/72/32/569437232.db2.gz YKSJWXQFAUDHSW-UHFFFAOYSA-N 0 0 449.532 3.985 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000057491059 569437239 /nfs/dbraw/zinc/43/72/39/569437239.db2.gz QUPLXIDVOGYDTI-QGZVFWFLSA-N 0 0 425.554 3.622 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000057491463 569437317 /nfs/dbraw/zinc/43/73/17/569437317.db2.gz UCCMNYJGIDNGDR-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1cccc(F)c1 ZINC000057491580 569437350 /nfs/dbraw/zinc/43/73/50/569437350.db2.gz HTKDGZSLUDINDR-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000230104997 569437382 /nfs/dbraw/zinc/43/73/82/569437382.db2.gz LBDRIWFGQIJLNI-GOSISDBHSA-N 0 0 441.597 3.539 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491762 569437384 /nfs/dbraw/zinc/43/73/84/569437384.db2.gz YORDLDAGSQIBNN-OAHLLOKOSA-N 0 0 431.945 3.658 50 0 IHAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000057493484 569437587 /nfs/dbraw/zinc/43/75/87/569437587.db2.gz WFVJBZOMFUHVHR-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN Cc1cc(F)ccc1NC(=O)Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O ZINC000057494076 569437687 /nfs/dbraw/zinc/43/76/87/569437687.db2.gz PGBLTNWQVGADKT-UHFFFAOYSA-N 0 0 443.525 3.615 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)ccc1F ZINC000057494527 569437704 /nfs/dbraw/zinc/43/77/04/569437704.db2.gz QMIOCFUKPMVMHT-UHFFFAOYSA-N 0 0 445.422 3.578 50 0 IHAARN COc1ccccc1CNC(=O)CNC(=S)N(Cc1cccs1)Cc1ccccc1 ZINC000003035030 569437892 /nfs/dbraw/zinc/43/78/92/569437892.db2.gz SBUQEYLXZPXIIY-UHFFFAOYSA-N 0 0 439.606 3.950 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)cc1Cl ZINC000057506276 569438235 /nfs/dbraw/zinc/43/82/35/569438235.db2.gz AGHYQIBTHYIWRY-UHFFFAOYSA-N 0 0 446.866 3.744 50 0 IHAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C)cc1Br ZINC000057522075 569438991 /nfs/dbraw/zinc/43/89/91/569438991.db2.gz LLITUOWFTBXKTC-UHFFFAOYSA-N 0 0 435.347 3.855 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2cccc(Cl)c2)n1 ZINC000057527458 569439173 /nfs/dbraw/zinc/43/91/73/569439173.db2.gz RJWNTGOLGMRPIW-UHFFFAOYSA-N 0 0 427.888 3.782 50 0 IHAARN COc1ccc(NCC(=O)N(c2ccccc2)C2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000057531696 569439441 /nfs/dbraw/zinc/43/94/41/569439441.db2.gz RCASUYZPWROXKM-UHFFFAOYSA-N 0 0 445.585 3.723 50 0 IHAARN CC(C)COc1cccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000003196838 569441575 /nfs/dbraw/zinc/44/15/75/569441575.db2.gz JMSMKIHCYHUKND-UHFFFAOYSA-N 0 0 434.539 3.752 50 0 IHAARN CCC[C@H](NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 ZINC000057865017 569442187 /nfs/dbraw/zinc/44/21/87/569442187.db2.gz AZCSFXJLWBGOFZ-ICSRJNTNSA-N 0 0 445.633 3.909 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000003237608 569442501 /nfs/dbraw/zinc/44/25/01/569442501.db2.gz LZHAGHXZEZYOKW-CYBMUJFWSA-N 0 0 448.306 3.975 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000003245334 569442728 /nfs/dbraw/zinc/44/27/28/569442728.db2.gz SKFDCZJEAFCJBL-UHFFFAOYSA-N 0 0 449.507 3.942 50 0 IHAARN COC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O ZINC000003259533 569443162 /nfs/dbraw/zinc/44/31/62/569443162.db2.gz GDKKEMQJTPUCNA-CQSZACIVSA-N 0 0 425.510 3.537 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3cccc(Cl)c3Cl)ccc12 ZINC000003275568 569443703 /nfs/dbraw/zinc/44/37/03/569443703.db2.gz RCKHMZNKTKAQLZ-UHFFFAOYSA-N 0 0 436.247 3.969 50 0 IHAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000003278687 569443784 /nfs/dbraw/zinc/44/37/84/569443784.db2.gz GUBNRBFQKUUAQV-UHFFFAOYSA-N 0 0 436.310 3.912 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(N)s1)C[C@@H](C)CC2 ZINC000003291257 569444402 /nfs/dbraw/zinc/44/44/02/569444402.db2.gz HVBAHOGBCKKYIM-DTWKUNHWSA-N 0 0 426.589 3.603 50 0 IHAARN CCN(Cc1cccc(NC(=O)[C@H](OC[C@H]2CCCO2)C(C)C)c1)C(=O)C(F)(F)F ZINC000058045088 569445921 /nfs/dbraw/zinc/44/59/21/569445921.db2.gz JTCDXFQXWUIHQN-QZTJIDSGSA-N 0 0 430.467 3.756 50 0 IHAARN O=C(Cc1coc2cc3c(cc12)CCC3)NCC(=O)Nc1ccccc1Br ZINC000003323313 569446099 /nfs/dbraw/zinc/44/60/99/569446099.db2.gz PXPKBDXTBOAZJN-UHFFFAOYSA-N 0 0 427.298 3.981 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000003331149 569446459 /nfs/dbraw/zinc/44/64/59/569446459.db2.gz RHNMEFHIFATQKQ-UHFFFAOYSA-N 0 0 428.941 3.847 50 0 IHAARN O=C(OCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003337467 569446720 /nfs/dbraw/zinc/44/67/20/569446720.db2.gz JYNMMSRFSFAOJW-UHFFFAOYSA-N 0 0 437.517 3.669 50 0 IHAARN CCn1cc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(=O)c2ccc(C)nc21 ZINC000003343509 569447000 /nfs/dbraw/zinc/44/70/00/569447000.db2.gz PBFLTTPCGRCJLT-UHFFFAOYSA-N 0 0 449.429 3.745 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003353540 569447529 /nfs/dbraw/zinc/44/75/29/569447529.db2.gz PQXKTKRIOAGZIG-UHFFFAOYSA-N 0 0 436.477 3.537 50 0 IHAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2cccc(C)c2)cc1OC ZINC000003369986 569448313 /nfs/dbraw/zinc/44/83/13/569448313.db2.gz MCJPEARYCDJIKQ-UHFFFAOYSA-N 0 0 438.436 3.653 50 0 IHAARN CN(CC(=O)OCc1csc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003370171 569448316 /nfs/dbraw/zinc/44/83/16/569448316.db2.gz SQCMIMSANNMGSR-UHFFFAOYSA-N 0 0 436.942 3.827 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000058138665 569448465 /nfs/dbraw/zinc/44/84/65/569448465.db2.gz OPGVYVHRQUJLAS-LJQANCHMSA-N 0 0 432.528 3.868 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003372336 569448484 /nfs/dbraw/zinc/44/84/84/569448484.db2.gz TVWVPXFLAPGFFL-AWEZNQCLSA-N 0 0 449.488 3.886 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000003372074 569448505 /nfs/dbraw/zinc/44/85/05/569448505.db2.gz WJRUQIWFNJIWDM-UHFFFAOYSA-N 0 0 449.488 3.540 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(Nc3ccccc3)s1)CCC2 ZINC000003390319 569449130 /nfs/dbraw/zinc/44/91/30/569449130.db2.gz XTUISXFRDPIAMP-UHFFFAOYSA-N 0 0 431.568 3.662 50 0 IHAARN CCn1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(=O)c2ccc(C)nc21 ZINC000003392449 569449310 /nfs/dbraw/zinc/44/93/10/569449310.db2.gz GBWNGQQLDBVIEM-UHFFFAOYSA-N 0 0 442.523 3.962 50 0 IHAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003393216 569449356 /nfs/dbraw/zinc/44/93/56/569449356.db2.gz CEIPATIPXDWLLE-UHFFFAOYSA-N 0 0 448.431 3.755 50 0 IHAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000058167353 569449495 /nfs/dbraw/zinc/44/94/95/569449495.db2.gz IBJZADFCXZMPQP-UHFFFAOYSA-N 0 0 437.906 3.941 50 0 IHAARN CSc1ccccc1NC(=O)CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000003424444 569450487 /nfs/dbraw/zinc/45/04/87/569450487.db2.gz CFOJGHBMZCMUOH-UHFFFAOYSA-N 0 0 428.583 3.656 50 0 IHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000003429605 569450737 /nfs/dbraw/zinc/45/07/37/569450737.db2.gz XUKCDDXAQLVWOI-UHFFFAOYSA-N 0 0 427.507 3.903 50 0 IHAARN Cc1sc2ncnc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2c1C ZINC000003436700 569451038 /nfs/dbraw/zinc/45/10/38/569451038.db2.gz HMPRONPIDDLPGW-UHFFFAOYSA-N 0 0 435.596 3.621 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2C)no1 ZINC000003439779 569451146 /nfs/dbraw/zinc/45/11/46/569451146.db2.gz SROAIYMGFHSFFD-HXUWFJFHSA-N 0 0 438.480 3.988 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000003452691 569451709 /nfs/dbraw/zinc/45/17/09/569451709.db2.gz LARHVLPWJUDGMS-UHFFFAOYSA-N 0 0 439.489 3.942 50 0 IHAARN CC(C)(C)c1ccc(C2(CNC(=O)NCCc3ccc(S(N)(=O)=O)s3)CCC2)cc1 ZINC000058278223 569452216 /nfs/dbraw/zinc/45/22/16/569452216.db2.gz LMERGYMIOUELMK-UHFFFAOYSA-N 0 0 449.642 3.657 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1ncnc2ccccc21 ZINC000003490634 569452513 /nfs/dbraw/zinc/45/25/13/569452513.db2.gz RPPCVTTUMCGIOR-UHFFFAOYSA-N 0 0 445.342 3.548 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000003515946 569453112 /nfs/dbraw/zinc/45/31/12/569453112.db2.gz NQGCWLARALFSHO-AWEZNQCLSA-N 0 0 429.325 3.703 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000003606358 569454894 /nfs/dbraw/zinc/45/48/94/569454894.db2.gz GGASTFQYWJMKKI-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000003608331 569454931 /nfs/dbraw/zinc/45/49/31/569454931.db2.gz KILQFHWPOHFODO-UHFFFAOYSA-N 0 0 444.431 3.631 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCn3c(C)cc4ccccc43)CC2)c1 ZINC000670448045 569455413 /nfs/dbraw/zinc/45/54/13/569455413.db2.gz YRKQFSXNIYBWHM-UHFFFAOYSA-N 0 0 449.551 3.636 50 0 IHAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657773 569455829 /nfs/dbraw/zinc/45/58/29/569455829.db2.gz SYMLSCBFCSKLMF-BJKOFHAPSA-N 0 0 430.504 3.931 50 0 IHAARN Cc1ccc(C)c(N2N=C(C(=O)N(C)CC(=O)Nc3ccccc3Cl)CCC2=O)c1 ZINC000031417258 569456397 /nfs/dbraw/zinc/45/63/97/569456397.db2.gz QARQGVPZFFIMIL-UHFFFAOYSA-N 0 0 426.904 3.537 50 0 IHAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000031487021 569456585 /nfs/dbraw/zinc/45/65/85/569456585.db2.gz RJLSIXVWBLRVEE-UHFFFAOYSA-N 0 0 435.977 3.810 50 0 IHAARN CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)cc2OC)cc1 ZINC000031527807 569456679 /nfs/dbraw/zinc/45/66/79/569456679.db2.gz RWTICJBBCZCACZ-UHFFFAOYSA-N 0 0 446.429 3.532 50 0 IHAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc(F)c(F)c1 ZINC000031746869 569457200 /nfs/dbraw/zinc/45/72/00/569457200.db2.gz YJHOCTDVEXFOIC-ZDUSSCGKSA-N 0 0 426.510 3.898 50 0 IHAARN O=S(=O)(NCCc1csc(-c2ccncc2)n1)c1ccc(Br)s1 ZINC000031773252 569457319 /nfs/dbraw/zinc/45/73/19/569457319.db2.gz UFSRSIQECWMZHS-UHFFFAOYSA-N 0 0 430.374 3.550 50 0 IHAARN CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)nc21 ZINC000003987261 569457425 /nfs/dbraw/zinc/45/74/25/569457425.db2.gz NOPQLMWBKWAFCU-UHFFFAOYSA-N 0 0 433.555 3.978 50 0 IHAARN CCc1c(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccn1 ZINC000031821261 569458051 /nfs/dbraw/zinc/45/80/51/569458051.db2.gz KTOOXROLDQBCIR-UHFFFAOYSA-N 0 0 444.461 3.596 50 0 IHAARN COc1ccc(CCNC(=O)c2nc(-c3ccc(Cn4nc(C)cc4C)cc3)no2)cc1 ZINC000032092358 569459663 /nfs/dbraw/zinc/45/96/63/569459663.db2.gz GFWDCWRSDYXJDV-UHFFFAOYSA-N 0 0 431.496 3.579 50 0 IHAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032093195 569459719 /nfs/dbraw/zinc/45/97/19/569459719.db2.gz PIKDSGAYKORBAM-ZDUSSCGKSA-N 0 0 427.254 3.547 50 0 IHAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)NCc5ccccc5)c4=O)c3cc2CO1 ZINC000032094448 569459747 /nfs/dbraw/zinc/45/97/47/569459747.db2.gz OFJVYXSIBMSLLW-DEOSSOPVSA-N 0 0 448.548 3.564 50 0 IHAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032101947 569460149 /nfs/dbraw/zinc/46/01/49/569460149.db2.gz DOLDNWQHFPLZCS-JOCHJYFZSA-N 0 0 443.931 3.652 50 0 IHAARN COCC(=O)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(C)C ZINC000004198093 569460866 /nfs/dbraw/zinc/46/08/66/569460866.db2.gz RJADTFFUZZRPKG-UHFFFAOYSA-N 0 0 445.459 3.857 50 0 IHAARN CCc1cccc(C)c1NC(=S)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O ZINC000004225458 569461147 /nfs/dbraw/zinc/46/11/47/569461147.db2.gz NJCRZYTZYPTYEX-UHFFFAOYSA-N 0 0 425.554 3.945 50 0 IHAARN CCCCNC(=O)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C ZINC000004309902 569461963 /nfs/dbraw/zinc/46/19/63/569461963.db2.gz GMWHGPICDUMMGM-NRFANRHFSA-N 0 0 425.529 3.618 50 0 IHAARN Cc1ccc(N(CC(=O)NCC[C@H](c2ccco2)c2ccccc2)S(C)(=O)=O)cc1 ZINC000670469974 569462477 /nfs/dbraw/zinc/46/24/77/569462477.db2.gz BLBVHJXLJZNLSV-NRFANRHFSA-N 0 0 426.538 3.692 50 0 IHAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCc5cccs5)n4ccn3n2)cc1C ZINC000038487177 569462825 /nfs/dbraw/zinc/46/28/25/569462825.db2.gz WOGSGIWXYLYUJE-UHFFFAOYSA-N 0 0 430.537 3.971 50 0 IHAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(OC)c4)no3)o2)cc1 ZINC000038487042 569462840 /nfs/dbraw/zinc/46/28/40/569462840.db2.gz QVZNERPRXGAYHS-UHFFFAOYSA-N 0 0 426.450 3.988 50 0 IHAARN COc1ccc(CCNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1OC ZINC000038487483 569462900 /nfs/dbraw/zinc/46/29/00/569462900.db2.gz ASLWKSQWMUSZMK-UHFFFAOYSA-N 0 0 443.507 3.627 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 ZINC000038487323 569462907 /nfs/dbraw/zinc/46/29/07/569462907.db2.gz OSDYXUNMNBONPT-UHFFFAOYSA-N 0 0 438.487 3.927 50 0 IHAARN CCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)o3)n2)cc1OC ZINC000038489267 569463059 /nfs/dbraw/zinc/46/30/59/569463059.db2.gz WVGPHGKWIDXLFN-CQSZACIVSA-N 0 0 447.513 3.825 50 0 IHAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCn3c4ccccc4nc32)cs1 ZINC000038575689 569464056 /nfs/dbraw/zinc/46/40/56/569464056.db2.gz FMVOTNVGINSYLB-ZHACJKMWSA-N 0 0 429.505 3.734 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1OCC ZINC000067197652 569464433 /nfs/dbraw/zinc/46/44/33/569464433.db2.gz LXPPCUYPUMIYPT-UHFFFAOYSA-N 0 0 436.302 3.720 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O ZINC000067205640 569464613 /nfs/dbraw/zinc/46/46/13/569464613.db2.gz DMTUPCNTFOLMMV-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1ccc(F)cc1F ZINC000067208473 569464692 /nfs/dbraw/zinc/46/46/92/569464692.db2.gz HRAGHGCGCYLGEA-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN CCN(C(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O)c1cccc(C)c1 ZINC000067235482 569465338 /nfs/dbraw/zinc/46/53/38/569465338.db2.gz LQPOCQBYXAVYEE-UHFFFAOYSA-N 0 0 430.508 3.772 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)c1 ZINC000067236428 569465442 /nfs/dbraw/zinc/46/54/42/569465442.db2.gz DGUMMUUJOCPKPY-UHFFFAOYSA-N 0 0 436.493 3.608 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067238170 569465604 /nfs/dbraw/zinc/46/56/04/569465604.db2.gz OPRDNGHUGGNROT-UHFFFAOYSA-N 0 0 442.541 3.597 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000067238561 569465655 /nfs/dbraw/zinc/46/56/55/569465655.db2.gz SAIXQWPTNIMTEK-UHFFFAOYSA-N 0 0 427.530 3.522 50 0 IHAARN CCOc1cccc(CNC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 ZINC000067260858 569466415 /nfs/dbraw/zinc/46/64/15/569466415.db2.gz DFMFYLMWOVLDBY-UHFFFAOYSA-N 0 0 444.535 3.885 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000067261153 569466476 /nfs/dbraw/zinc/46/64/76/569466476.db2.gz IJUOPEZYOOBERB-UHFFFAOYSA-N 0 0 448.498 3.796 50 0 IHAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1F ZINC000067261654 569466495 /nfs/dbraw/zinc/46/64/95/569466495.db2.gz URYQUSHLOMVMQJ-UHFFFAOYSA-N 0 0 448.267 3.658 50 0 IHAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCCCc1ccccc1 ZINC000067261678 569466546 /nfs/dbraw/zinc/46/65/46/569466546.db2.gz UBXZGEJTYGHLJA-UHFFFAOYSA-N 0 0 440.341 3.812 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 ZINC000067284332 569466842 /nfs/dbraw/zinc/46/68/42/569466842.db2.gz ORRPNTJCVHDMEE-UHFFFAOYSA-N 0 0 426.908 3.563 50 0 IHAARN O=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)CC1 ZINC000067288185 569467372 /nfs/dbraw/zinc/46/73/72/569467372.db2.gz IAFOGUBQONNLNW-UHFFFAOYSA-N 0 0 436.487 3.555 50 0 IHAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1)N1CCOCC1 ZINC000067288050 569467408 /nfs/dbraw/zinc/46/74/08/569467408.db2.gz OGJPWHMBGKGFEY-UHFFFAOYSA-N 0 0 436.943 3.687 50 0 IHAARN COc1cccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc43)CC2)c1 ZINC000067287984 569467444 /nfs/dbraw/zinc/46/74/44/569467444.db2.gz BMLDDKUYOMWSLS-UHFFFAOYSA-N 0 0 434.515 3.945 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 ZINC000067289561 569467515 /nfs/dbraw/zinc/46/75/15/569467515.db2.gz JMLZVGLIXLSGCX-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN COC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)cc1 ZINC000067298991 569468103 /nfs/dbraw/zinc/46/81/03/569468103.db2.gz ADUYWKGDNQEJID-RWEWTDSWSA-N 0 0 432.432 3.983 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000067299524 569468173 /nfs/dbraw/zinc/46/81/73/569468173.db2.gz PUDKJNCLFAFOFU-HNNXBMFYSA-N 0 0 428.558 3.811 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000067299605 569468175 /nfs/dbraw/zinc/46/81/75/569468175.db2.gz IZDZPOOUBVNHTC-LSDHHAIUSA-N 0 0 428.558 3.982 50 0 IHAARN COc1cccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 ZINC000067319710 569468562 /nfs/dbraw/zinc/46/85/62/569468562.db2.gz MPJOISFSHUOVPM-HNNXBMFYSA-N 0 0 428.558 3.667 50 0 IHAARN COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000067323383 569468783 /nfs/dbraw/zinc/46/87/83/569468783.db2.gz QPNSCWRQAOUZJT-UHFFFAOYSA-N 0 0 433.390 3.505 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)nnn1CC(=O)Nc1ccccc1C ZINC000067323512 569468798 /nfs/dbraw/zinc/46/87/98/569468798.db2.gz VUKVFYHXDOGIMY-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCCC4)nc23)cc1 ZINC000008589368 569469237 /nfs/dbraw/zinc/46/92/37/569469237.db2.gz USSCGEHUCXRZMA-UHFFFAOYSA-N 0 0 427.555 3.895 50 0 IHAARN CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1)C(C)C ZINC000008623267 569469513 /nfs/dbraw/zinc/46/95/13/569469513.db2.gz GDJSCLKFBHRFPG-QHCPKHFHSA-N 0 0 442.947 3.980 50 0 IHAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000038933694 569469596 /nfs/dbraw/zinc/46/95/96/569469596.db2.gz GLJTUAGJZGOMDN-UHFFFAOYSA-N 0 0 425.388 3.801 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000008661540 569469874 /nfs/dbraw/zinc/46/98/74/569469874.db2.gz KJIMBULJZUJOJV-NSHDSACASA-N 0 0 447.351 3.689 50 0 IHAARN Cc1nnc2nc(SCC(=O)NCc3ccc(C)cc3)n(-c3cccc(C)c3)c(N)c1-2 ZINC000008671989 569470002 /nfs/dbraw/zinc/47/00/02/569470002.db2.gz XBCMNNXRLUZJFO-UHFFFAOYSA-N 0 0 432.553 3.562 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1 ZINC000008709601 569470792 /nfs/dbraw/zinc/47/07/92/569470792.db2.gz WDMKIMLTHRQPIW-JOCHJYFZSA-N 0 0 447.626 3.727 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2N2CCCC2)cc1 ZINC000008720465 569471548 /nfs/dbraw/zinc/47/15/48/569471548.db2.gz MRAOIJRMJAMXIS-UHFFFAOYSA-N 0 0 437.525 3.635 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000008720291 569471572 /nfs/dbraw/zinc/47/15/72/569471572.db2.gz UZGWOERJTOGEEP-CQSZACIVSA-N 0 0 431.539 3.896 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000008723722 569471860 /nfs/dbraw/zinc/47/18/60/569471860.db2.gz MIOVHXZWXQTBGS-UHFFFAOYSA-N 0 0 446.580 3.846 50 0 IHAARN Cc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000008725577 569472175 /nfs/dbraw/zinc/47/21/75/569472175.db2.gz SXSLBZCUSJGEPU-HXUWFJFHSA-N 0 0 428.448 3.999 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000008727924 569472325 /nfs/dbraw/zinc/47/23/25/569472325.db2.gz OFGYVOCISOQUKL-UHFFFAOYSA-N 0 0 433.556 3.998 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008735293 569472657 /nfs/dbraw/zinc/47/26/57/569472657.db2.gz YRJHWKPUGVLHMK-UHFFFAOYSA-N 0 0 428.460 3.964 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)no1 ZINC000008746865 569473124 /nfs/dbraw/zinc/47/31/24/569473124.db2.gz CBSKSZKCACTTPT-HNNXBMFYSA-N 0 0 444.536 3.981 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21 ZINC000008752058 569473525 /nfs/dbraw/zinc/47/35/25/569473525.db2.gz OBURMPOKFSCBDA-BFUOFWGJSA-N 0 0 440.546 3.803 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)c1ccc(Br)cc1 ZINC000008752677 569473606 /nfs/dbraw/zinc/47/36/06/569473606.db2.gz ZXLFJFZEZZQKGB-ZDUSSCGKSA-N 0 0 447.354 3.905 50 0 IHAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008755984 569473989 /nfs/dbraw/zinc/47/39/89/569473989.db2.gz QQPKDILEHNLCDP-CQSZACIVSA-N 0 0 438.509 3.553 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl ZINC000008760378 569474213 /nfs/dbraw/zinc/47/42/13/569474213.db2.gz WGERETWNUHVURN-MRXNPFEDSA-N 0 0 425.868 3.847 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NC[C@H](O)COCc3ccco3)c2oc1-c1ccccc1 ZINC000008764840 569474690 /nfs/dbraw/zinc/47/46/90/569474690.db2.gz DDRICLUXLZCFSG-SFHVURJKSA-N 0 0 433.460 3.669 50 0 biogenic IHAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1 ZINC000008769139 569474991 /nfs/dbraw/zinc/47/49/91/569474991.db2.gz RSOGOVAACWHDLE-UHFFFAOYSA-N 0 0 434.496 3.630 50 0 IHAARN COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 ZINC000008771735 569475238 /nfs/dbraw/zinc/47/52/38/569475238.db2.gz HZXSBYXYXOBLLH-OAQYLSRUSA-N 0 0 449.532 3.818 50 0 IHAARN Cc1nc2cc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)ccc2n1-c1ccccc1 ZINC000008826022 569477487 /nfs/dbraw/zinc/47/74/87/569477487.db2.gz ZSFSIZULZZUHBG-UHFFFAOYSA-N 0 0 442.475 3.517 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840871 569478376 /nfs/dbraw/zinc/47/83/76/569478376.db2.gz INEQUKSQOGONKK-UHFFFAOYSA-N 0 0 429.542 3.771 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000008843659 569478463 /nfs/dbraw/zinc/47/84/63/569478463.db2.gz LODQFWSXHLYDSG-UHFFFAOYSA-N 0 0 447.237 3.612 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000008845128 569478690 /nfs/dbraw/zinc/47/86/90/569478690.db2.gz CDINOEYDGHGCQB-UHFFFAOYSA-N 0 0 445.426 3.858 50 0 IHAARN COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000008845307 569478793 /nfs/dbraw/zinc/47/87/93/569478793.db2.gz HEJZXLHPYFUKSI-DEOSSOPVSA-N 0 0 442.475 3.940 50 0 IHAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008868031 569480317 /nfs/dbraw/zinc/48/03/17/569480317.db2.gz HUXZILCXBZUURT-IBGZPJMESA-N 0 0 439.533 3.746 50 0 IHAARN CCOc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000008871040 569480710 /nfs/dbraw/zinc/48/07/10/569480710.db2.gz UHOZVIJLFAYCHC-KRWDZBQOSA-N 0 0 432.480 3.890 50 0 IHAARN COc1cc(OC)cc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000008871042 569480721 /nfs/dbraw/zinc/48/07/21/569480721.db2.gz KELVGOCAPCJGFD-HNNXBMFYSA-N 0 0 448.479 3.509 50 0 IHAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCOCC3)nn2)s1 ZINC000008875885 569481060 /nfs/dbraw/zinc/48/10/60/569481060.db2.gz OBNUNFVFZKXCPE-UHFFFAOYSA-N 0 0 442.566 3.535 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)OC ZINC000008877874 569481253 /nfs/dbraw/zinc/48/12/53/569481253.db2.gz JPUZZTXJISQPDB-XARZLDAJSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000008879171 569481303 /nfs/dbraw/zinc/48/13/03/569481303.db2.gz JRBJUNJAFUEPJE-UHFFFAOYSA-N 0 0 443.550 3.985 50 0 IHAARN Cc1c2ccccc2oc1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000008880604 569481533 /nfs/dbraw/zinc/48/15/33/569481533.db2.gz ZWENKINWDBMQTO-XMMPIXPASA-N 0 0 434.448 3.552 50 0 IHAARN O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1 ZINC000040017848 569482654 /nfs/dbraw/zinc/48/26/54/569482654.db2.gz RPBMUVTWPBTKKB-IBGZPJMESA-N 0 0 425.554 3.948 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008890615 569483255 /nfs/dbraw/zinc/48/32/55/569483255.db2.gz BDMKSAKDDQRWGD-CLYVBNDRSA-N 0 0 439.515 3.924 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000040037403 569483273 /nfs/dbraw/zinc/48/32/73/569483273.db2.gz XMMWYFUEZXVROE-UHFFFAOYSA-N 0 0 435.480 3.611 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 ZINC000040040704 569483513 /nfs/dbraw/zinc/48/35/13/569483513.db2.gz MUDDKZRKROQPBY-NSHDSACASA-N 0 0 445.566 3.751 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2Oc2ccccc2)c1 ZINC000008897247 569483901 /nfs/dbraw/zinc/48/39/01/569483901.db2.gz UFEQGKDRLIGOQQ-UHFFFAOYSA-N 0 0 425.510 3.780 50 0 IHAARN Cc1cccc(Nc2nnc(S[C@@H](C(=O)N3CCC(C(N)=O)CC3)C(C)C)s2)c1C ZINC000040050906 569484283 /nfs/dbraw/zinc/48/42/83/569484283.db2.gz OZZGMTJFYWWUOW-QGZVFWFLSA-N 0 0 447.630 3.739 50 0 IHAARN O=C(c1cnn2cccnc12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040051188 569484416 /nfs/dbraw/zinc/48/44/16/569484416.db2.gz ZYKZYQMXFATXPK-UHFFFAOYSA-N 0 0 433.462 3.555 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC2CCCC2)s1 ZINC000008912480 569485017 /nfs/dbraw/zinc/48/50/17/569485017.db2.gz DBWUHCJKIWWQOM-UHFFFAOYSA-N 0 0 428.601 3.823 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1OC ZINC000008912680 569485085 /nfs/dbraw/zinc/48/50/85/569485085.db2.gz AJWYQZZBXUOUOY-INIZCTEOSA-N 0 0 441.557 3.818 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 ZINC000040069089 569485280 /nfs/dbraw/zinc/48/52/80/569485280.db2.gz POAGRRRQUFESCJ-CHWSQXEVSA-N 0 0 427.302 3.556 50 0 IHAARN COCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCCC2 ZINC000008915348 569485479 /nfs/dbraw/zinc/48/54/79/569485479.db2.gz QJHVOZDLXSBZFB-UHFFFAOYSA-N 0 0 440.521 3.670 50 0 IHAARN COc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1OC ZINC000008915188 569485509 /nfs/dbraw/zinc/48/55/09/569485509.db2.gz KPRFDWSTCKTZFS-UHFFFAOYSA-N 0 0 434.246 3.534 50 0 IHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000040070209 569485609 /nfs/dbraw/zinc/48/56/09/569485609.db2.gz HZESWNNCMAWXJJ-MRXNPFEDSA-N 0 0 442.585 3.820 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)c(OC)c1 ZINC000008927779 569487302 /nfs/dbraw/zinc/48/73/02/569487302.db2.gz YTUXUQKLNFDICM-VWLOTQADSA-N 0 0 435.451 3.850 50 0 IHAARN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000040090687 569487444 /nfs/dbraw/zinc/48/74/44/569487444.db2.gz AXIHRGSNGNNPOF-QHCPKHFHSA-N 0 0 429.520 3.763 50 0 IHAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106124 569488324 /nfs/dbraw/zinc/48/83/24/569488324.db2.gz IVAITIQKTPHRAS-ZBFHGGJFSA-N 0 0 429.966 3.596 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000008940572 569488356 /nfs/dbraw/zinc/48/83/56/569488356.db2.gz MGKUKEAKOMUMDD-UHFFFAOYSA-N 0 0 438.479 3.819 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2c(F)cccc2Cl)c(NCC(C)C)n1 ZINC000008942538 569488667 /nfs/dbraw/zinc/48/86/67/569488667.db2.gz HMPQJIRPQQJMJF-UHFFFAOYSA-N 0 0 436.944 3.839 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000008942517 569488699 /nfs/dbraw/zinc/48/86/99/569488699.db2.gz GCVRSSVLTKSUKU-LJQANCHMSA-N 0 0 425.506 3.696 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c(NCC(C)C)n1 ZINC000008942816 569488743 /nfs/dbraw/zinc/48/87/43/569488743.db2.gz MSZZYJXNILUQLV-UHFFFAOYSA-N 0 0 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569492267 /nfs/dbraw/zinc/49/22/67/569492267.db2.gz GRRHDUWAMLEOCR-QFIPXVFZSA-N 0 0 430.552 3.863 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 ZINC000008971683 569492733 /nfs/dbraw/zinc/49/27/33/569492733.db2.gz BEYZBWQLQWKFGV-INIZCTEOSA-N 0 0 432.549 3.594 50 0 IHAARN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000040151837 569493374 /nfs/dbraw/zinc/49/33/74/569493374.db2.gz XAXWPDQHQCJHEX-QHCPKHFHSA-N 0 0 444.597 3.614 50 0 IHAARN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000040151836 569493380 /nfs/dbraw/zinc/49/33/80/569493380.db2.gz XAXWPDQHQCJHEX-HSZRJFAPSA-N 0 0 444.597 3.614 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c(N)c1[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000008986677 569494815 /nfs/dbraw/zinc/49/48/15/569494815.db2.gz QJVPUVGMDVEWOJ-SFHVURJKSA-N 0 0 434.447 3.578 50 0 IHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000244970302 569496590 /nfs/dbraw/zinc/49/65/90/569496590.db2.gz 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CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccc(F)cc2)[C@@H](c2ccco2)C1 ZINC000009060556 569499454 /nfs/dbraw/zinc/49/94/54/569499454.db2.gz FGYQFJIOWFWYJX-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094843 569501252 /nfs/dbraw/zinc/50/12/52/569501252.db2.gz JGMJJALCUBVCJB-QFIPXVFZSA-N 0 0 442.968 3.589 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)NCc1ccccc1 ZINC000009094972 569501276 /nfs/dbraw/zinc/50/12/76/569501276.db2.gz ALZVVZVPMSUXTL-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C ZINC000009096184 569501421 /nfs/dbraw/zinc/50/14/21/569501421.db2.gz SRRNKGOPADSDIM-UHFFFAOYSA-N 0 0 430.917 3.946 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000009106921 569501850 /nfs/dbraw/zinc/50/18/50/569501850.db2.gz YOMJEWAUUZQEOR-KRWDZBQOSA-N 0 0 441.983 3.895 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000009112521 569502368 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O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009128357 569505397 /nfs/dbraw/zinc/50/53/97/569505397.db2.gz JMMDLYRCJPUHGY-UHFFFAOYSA-N 0 0 436.911 3.684 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000009128439 569505425 /nfs/dbraw/zinc/50/54/25/569505425.db2.gz MPUHGMCSTZUESL-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN COc1cc(OC)c([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC ZINC000040485009 569506804 /nfs/dbraw/zinc/50/68/04/569506804.db2.gz SUWFFGFCXMLQJL-NRFANRHFSA-N 0 0 435.484 3.540 50 0 IHAARN CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)cc1OCC ZINC000040513377 569506861 /nfs/dbraw/zinc/50/68/61/569506861.db2.gz GECSTHGIFKMADF-QFIPXVFZSA-N 0 0 437.492 3.745 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000009131649 569506924 /nfs/dbraw/zinc/50/69/24/569506924.db2.gz KRXIDSYYSTVFKB-HNNXBMFYSA-N 0 0 439.468 3.974 50 0 IHAARN Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C ZINC000009130953 569506935 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Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 ZINC000009187499 569510379 /nfs/dbraw/zinc/51/03/79/569510379.db2.gz YLPFUZQNHDVJKW-IBGZPJMESA-N 0 0 446.956 3.860 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000009199896 569511143 /nfs/dbraw/zinc/51/11/43/569511143.db2.gz QXVFHZAOXJMOTO-UHFFFAOYSA-N 0 0 437.565 3.753 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009205127 569511325 /nfs/dbraw/zinc/51/13/25/569511325.db2.gz RDIPIXHYAQOTFG-UHFFFAOYSA-N 0 0 446.580 3.986 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1n[nH]c(-c2ccncc2)n1)c1ccc2c(c1)OCCCO2 ZINC000009217912 569512300 /nfs/dbraw/zinc/51/23/00/569512300.db2.gz FBIYBOYRYMBHLG-FQEVSTJZSA-N 0 0 439.541 3.634 50 0 IHAARN COc1ccc2nc(NC(=O)[C@H](CCSC)NC(=O)COc3ccccc3)sc2c1 ZINC000009218630 569512437 /nfs/dbraw/zinc/51/24/37/569512437.db2.gz DGFVSYDAMAFZJE-KRWDZBQOSA-N 0 0 445.566 3.560 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000009219557 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CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000009238718 569514430 /nfs/dbraw/zinc/51/44/30/569514430.db2.gz VGIBQERBPUDXEA-QZTJIDSGSA-N 0 0 443.960 3.892 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239109 569514465 /nfs/dbraw/zinc/51/44/65/569514465.db2.gz GYVDBKCTCGOIHX-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN CC(C)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000009244804 569515130 /nfs/dbraw/zinc/51/51/30/569515130.db2.gz XPDXHSZUHMRCKX-UHFFFAOYSA-N 0 0 426.538 3.854 50 0 IHAARN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1C ZINC000009252359 569515968 /nfs/dbraw/zinc/51/59/68/569515968.db2.gz OACRMHPYDJCMLM-UHFFFAOYSA-N 0 0 429.311 3.837 50 0 IHAARN Cc1nn(C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)[C@H](NC(=O)c1cccc(C)c1)C(=O)N2 ZINC000009252578 569516049 /nfs/dbraw/zinc/51/60/49/569516049.db2.gz CCOIBQROIBYTCJ-MOPGFXCFSA-N 0 0 442.441 3.938 50 0 IHAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000009253896 569516250 /nfs/dbraw/zinc/51/62/50/569516250.db2.gz OQGGHHVIMVLVLQ-JOCHJYFZSA-N 0 0 447.560 3.606 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000009254461 569516387 /nfs/dbraw/zinc/51/63/87/569516387.db2.gz SSTPKPLZQIBIQR-UHFFFAOYSA-N 0 0 426.828 3.942 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(Cl)cc2F)c1 ZINC000009255010 569516486 /nfs/dbraw/zinc/51/64/86/569516486.db2.gz CLVNHFWOBLCOAV-UHFFFAOYSA-N 0 0 427.929 3.869 50 0 IHAARN Cc1c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)sc2[nH]c(C)nc(=O)c12 ZINC000009255442 569516569 /nfs/dbraw/zinc/51/65/69/569516569.db2.gz DIQAXISEGHMQRM-UHFFFAOYSA-N 0 0 426.281 3.704 50 0 IHAARN CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(OC)cc2)CC1 ZINC000009265253 569517325 /nfs/dbraw/zinc/51/73/25/569517325.db2.gz BDIOREWUSYVATJ-UHFFFAOYSA-N 0 0 435.524 3.790 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000009267844 569517503 /nfs/dbraw/zinc/51/75/03/569517503.db2.gz BYANNCBYUQLDLZ-UHFFFAOYSA-N 0 0 441.487 3.973 50 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Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(S(C)(=O)=O)CC1)O2 ZINC000009359805 569525677 /nfs/dbraw/zinc/52/56/77/569525677.db2.gz CEINMDKSSZGRPD-HXUWFJFHSA-N 0 0 445.972 3.944 50 0 IHAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2 ZINC000009363800 569525921 /nfs/dbraw/zinc/52/59/21/569525921.db2.gz GHOUUGSSLGVHNI-UHFFFAOYSA-N 0 0 448.614 3.812 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)c(OC)c1 ZINC000009364211 569526029 /nfs/dbraw/zinc/52/60/29/569526029.db2.gz LFBMLKQIYBBKHK-UHFFFAOYSA-N 0 0 444.538 3.847 50 0 IHAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CSC[C@H]1C(=O)NCC(F)(F)F ZINC000069982406 569526895 /nfs/dbraw/zinc/52/68/95/569526895.db2.gz LMZFDUSUCCLOBP-ZDUSSCGKSA-N 0 0 447.866 3.508 50 0 IHAARN Cc1nc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n(C2CCCCC2)c1C ZINC000009376546 569527320 /nfs/dbraw/zinc/52/73/20/569527320.db2.gz FVTDZBBCEKNVGZ-UHFFFAOYSA-N 0 0 447.605 3.629 50 0 IHAARN CCCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009377586 569527539 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/nfs/dbraw/zinc/53/18/79/569531879.db2.gz PTJDUAIWVPUSJY-LJAQVGFWSA-N 0 0 431.901 3.558 50 0 IHAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c(OC)c1 ZINC000009413850 569531896 /nfs/dbraw/zinc/53/18/96/569531896.db2.gz ZZTZECBAUQSLGJ-SSEXGKCCSA-N 0 0 425.510 3.521 50 0 IHAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn32)cc1 ZINC000009415316 569532178 /nfs/dbraw/zinc/53/21/78/569532178.db2.gz QZTIQOOGEVOMMO-UHFFFAOYSA-N 0 0 426.527 3.686 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009428794 569533640 /nfs/dbraw/zinc/53/36/40/569533640.db2.gz WQKDWOHRZCCEEM-UHFFFAOYSA-N 0 0 433.464 3.870 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCN1CCCC1=O)occ3C(C)(C)C ZINC000009429824 569533781 /nfs/dbraw/zinc/53/37/81/569533781.db2.gz YILCPSWFOGNSNO-UHFFFAOYSA-N 0 0 438.524 3.816 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)cc2NC1=O ZINC000009430009 569533821 /nfs/dbraw/zinc/53/38/21/569533821.db2.gz BTPUMFFANXWREX-INIZCTEOSA-N 0 0 440.493 3.590 50 0 IHAARN CCOc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 ZINC000009429920 569533859 /nfs/dbraw/zinc/53/38/59/569533859.db2.gz LFAMDYKYMLWONJ-LJQANCHMSA-N 0 0 442.313 3.845 50 0 IHAARN O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc2oc(=O)ccc2c1 ZINC000009430241 569533917 /nfs/dbraw/zinc/53/39/17/569533917.db2.gz QSNUNSKHQLEBIH-PDGQHHTCSA-N 0 0 438.436 3.997 50 0 IHAARN COc1cc(OC)c2c(C)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc2c1 ZINC000009435872 569534890 /nfs/dbraw/zinc/53/48/90/569534890.db2.gz STKSRZXGSXMKFX-UHFFFAOYSA-N 0 0 438.455 3.640 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000009441777 569535453 /nfs/dbraw/zinc/53/54/53/569535453.db2.gz MIXUMPRWDIEFQB-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N ZINC000009448994 569536178 /nfs/dbraw/zinc/53/61/78/569536178.db2.gz JYNZMKZSYOFFSC-UHFFFAOYSA-N 0 0 437.504 3.536 50 0 IHAARN Cc1c(C)c(C)c(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1C ZINC000009458203 569536801 /nfs/dbraw/zinc/53/68/01/569536801.db2.gz FQCMMKFAQJPWDO-NRFANRHFSA-N 0 0 443.565 3.606 50 0 IHAARN C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 ZINC000009459879 569536866 /nfs/dbraw/zinc/53/68/66/569536866.db2.gz OJSGYQSRWMRCFG-CYBMUJFWSA-N 0 0 444.488 3.888 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009460333 569536915 /nfs/dbraw/zinc/53/69/15/569536915.db2.gz BEFFMGWQDCPMDD-CQSZACIVSA-N 0 0 447.488 3.824 50 0 IHAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000009464662 569537727 /nfs/dbraw/zinc/53/77/27/569537727.db2.gz BJOLBLKQAISNNL-UHFFFAOYSA-N 0 0 436.493 3.589 50 0 IHAARN CCOc1ccc(NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009465128 569537821 /nfs/dbraw/zinc/53/78/21/569537821.db2.gz KQLJJBQPNQCCGZ-MRXNPFEDSA-N 0 0 430.526 3.636 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)nc2c1 ZINC000009466985 569538303 /nfs/dbraw/zinc/53/83/03/569538303.db2.gz CPBCCLPUMPMFHO-UHFFFAOYSA-N 0 0 448.430 3.902 50 0 IHAARN NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc21 ZINC000009466990 569538323 /nfs/dbraw/zinc/53/83/23/569538323.db2.gz VVADFFMTIDJXOW-UHFFFAOYSA-N 0 0 448.866 3.580 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000009467498 569538435 /nfs/dbraw/zinc/53/84/35/569538435.db2.gz XFBHYDGMGQEXFU-UHFFFAOYSA-N 0 0 440.477 3.535 50 0 IHAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@H](C)C3)c2)cc1 ZINC000009468241 569538577 /nfs/dbraw/zinc/53/85/77/569538577.db2.gz CUZSXPDQRUQROO-GOSISDBHSA-N 0 0 430.570 3.999 50 0 IHAARN Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000009490734 569540271 /nfs/dbraw/zinc/54/02/71/569540271.db2.gz IBAKTKYTULTKFK-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009494280 569540871 /nfs/dbraw/zinc/54/08/71/569540871.db2.gz TXFPJZVTOQRBEJ-OAHLLOKOSA-N 0 0 432.929 3.928 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2F)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000009498839 569541349 /nfs/dbraw/zinc/54/13/49/569541349.db2.gz QDYHOTZGUBQHRH-ZDUSSCGKSA-N 0 0 442.516 3.559 50 0 IHAARN C[C@H]1CCN(C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c2ccccc2S1 ZINC000009499229 569541455 /nfs/dbraw/zinc/54/14/55/569541455.db2.gz SWYHTGGSCZEUNT-KRWDZBQOSA-N 0 0 439.581 3.960 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000009507588 569542061 /nfs/dbraw/zinc/54/20/61/569542061.db2.gz WQGUXXOXGVYGBU-UHFFFAOYSA-N 0 0 445.426 3.858 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000009507642 569542064 /nfs/dbraw/zinc/54/20/64/569542064.db2.gz KMEMRUHFBWZWPW-UHFFFAOYSA-N 0 0 434.315 3.916 50 0 IHAARN C[C@@H](O)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000009508194 569542227 /nfs/dbraw/zinc/54/22/27/569542227.db2.gz QRDOJXXJEYZQAV-LLVKDONJSA-N 0 0 438.336 3.815 50 0 IHAARN C[C@H](O)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000009508192 569542241 /nfs/dbraw/zinc/54/22/41/569542241.db2.gz QRDOJXXJEYZQAV-NSHDSACASA-N 0 0 438.336 3.815 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000009508246 569542256 /nfs/dbraw/zinc/54/22/56/569542256.db2.gz COGXSZUWUSMVPA-UHFFFAOYSA-N 0 0 441.532 3.849 50 0 IHAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 ZINC000009508865 569542415 /nfs/dbraw/zinc/54/24/15/569542415.db2.gz DJJVYRQHOGGBQT-HNNXBMFYSA-N 0 0 441.484 3.544 50 0 IHAARN Cc1n[nH]c(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000009508782 569542423 /nfs/dbraw/zinc/54/24/23/569542423.db2.gz YHVLNOWOWCGVDA-UHFFFAOYSA-N 0 0 432.937 3.916 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009509528 569542566 /nfs/dbraw/zinc/54/25/66/569542566.db2.gz AKBBRPVOKXOHGW-HNNXBMFYSA-N 0 0 429.325 3.703 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000009515920 569543357 /nfs/dbraw/zinc/54/33/57/569543357.db2.gz CRBHJPZJNQBBAL-INIZCTEOSA-N 0 0 437.569 3.578 50 0 IHAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(OC)c1 ZINC000009517635 569543670 /nfs/dbraw/zinc/54/36/70/569543670.db2.gz KMGQXQJMMDKPGD-UHFFFAOYSA-N 0 0 439.472 3.703 50 0 IHAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000009517761 569543790 /nfs/dbraw/zinc/54/37/90/569543790.db2.gz LWWORXSOBXPAIC-UHFFFAOYSA-N 0 0 447.520 3.570 50 0 IHAARN CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)s1 ZINC000009517728 569543816 /nfs/dbraw/zinc/54/38/16/569543816.db2.gz ADTWZMAAPRRGJC-UHFFFAOYSA-N 0 0 431.934 3.614 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000009535033 569545507 /nfs/dbraw/zinc/54/55/07/569545507.db2.gz ZPXLNAQOOYEASH-QGZVFWFLSA-N 0 0 441.484 3.967 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1O ZINC000009540012 569545750 /nfs/dbraw/zinc/54/57/50/569545750.db2.gz OWHMBGVHPVGYDJ-QGZVFWFLSA-N 0 0 445.401 3.939 50 0 IHAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009546832 569546335 /nfs/dbraw/zinc/54/63/35/569546335.db2.gz HKZUTWFDAPLZSZ-UHFFFAOYSA-N 0 0 425.905 3.541 50 0 IHAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000009561281 569547119 /nfs/dbraw/zinc/54/71/19/569547119.db2.gz PYXJFYWZELEYOK-UHFFFAOYSA-N 0 0 429.871 4.000 50 0 IHAARN CCc1sc2nc(SCC(=O)NCCOC)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000009561774 569547168 /nfs/dbraw/zinc/54/71/68/569547168.db2.gz DHNGEICWYFTYAO-UHFFFAOYSA-N 0 0 445.610 3.540 50 0 IHAARN CCN(CC)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c(C)c1 ZINC000009568846 569547452 /nfs/dbraw/zinc/54/74/52/569547452.db2.gz PKMOYBCRMIQNTA-KRWDZBQOSA-N 0 0 440.544 3.785 50 0 IHAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc(F)cc1 ZINC000009569047 569547550 /nfs/dbraw/zinc/54/75/50/569547550.db2.gz KAURJEFASDDTPU-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 ZINC000009569042 569547568 /nfs/dbraw/zinc/54/75/68/569547568.db2.gz UXCZNDVEQYAIBS-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN CN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCCc2ccccc21 ZINC000009579922 569548637 /nfs/dbraw/zinc/54/86/37/569548637.db2.gz DYMQYLOOZAGAME-UQBPGWFLSA-N 0 0 431.492 3.736 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000070637588 569548941 /nfs/dbraw/zinc/54/89/41/569548941.db2.gz CZAIIOVVKJJFGL-UHFFFAOYSA-N 0 0 442.441 3.890 50 0 IHAARN O=C([C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)N(Cc1ccccc1)c1ccccn1 ZINC000070638096 569548991 /nfs/dbraw/zinc/54/89/91/569548991.db2.gz HDSFZCOIEQTPRF-OAQYLSRUSA-N 0 0 439.523 3.507 50 0 IHAARN COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)O2)cc(OC)c1OC ZINC000009585322 569549490 /nfs/dbraw/zinc/54/94/90/569549490.db2.gz YATPEXRLLZEXIG-LJQANCHMSA-N 0 0 435.274 3.714 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000009592653 569550327 /nfs/dbraw/zinc/55/03/27/569550327.db2.gz ODYSAIFJRJERNI-UHFFFAOYSA-N 0 0 438.487 3.839 50 0 IHAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000009593205 569550407 /nfs/dbraw/zinc/55/04/07/569550407.db2.gz OKOMLAYRVYRGSM-UHFFFAOYSA-N 0 0 430.551 3.507 50 0 IHAARN Cc1ccc(CN(C)C(=O)CSc2nnc(COc3ccc(C)cc3C)n2N)c(C)c1 ZINC000009595048 569550723 /nfs/dbraw/zinc/55/07/23/569550723.db2.gz CNHRTLTTXWAWGK-UHFFFAOYSA-N 0 0 439.585 3.555 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000009596027 569550781 /nfs/dbraw/zinc/55/07/81/569550781.db2.gz DEYJCQYSBUFETN-SFHVURJKSA-N 0 0 428.558 3.963 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1N ZINC000009597090 569550857 /nfs/dbraw/zinc/55/08/57/569550857.db2.gz GXWTWMRIMMGGDU-UHFFFAOYSA-N 0 0 445.548 3.665 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(C)cc1 ZINC000009599042 569551104 /nfs/dbraw/zinc/55/11/04/569551104.db2.gz XNHLGHFMGDNCIF-UHFFFAOYSA-N 0 0 447.560 3.515 50 0 IHAARN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000009599569 569551264 /nfs/dbraw/zinc/55/12/64/569551264.db2.gz HVVQVHXSQCAIMQ-GOSISDBHSA-N 0 0 430.551 3.953 50 0 IHAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009599824 569551305 /nfs/dbraw/zinc/55/13/05/569551305.db2.gz YBMRFXITXUIRER-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009599846 569551355 /nfs/dbraw/zinc/55/13/55/569551355.db2.gz PKCFNURGJOXWMF-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccccc1C(F)(F)F ZINC000009599844 569551356 /nfs/dbraw/zinc/55/13/56/569551356.db2.gz ZHHMVBYEHMKCJJ-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1cccc(C(F)(F)F)c1 ZINC000009599845 569551382 /nfs/dbraw/zinc/55/13/82/569551382.db2.gz VMOHVXJLAIKYEZ-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN Cc1ccccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009601585 569551655 /nfs/dbraw/zinc/55/16/55/569551655.db2.gz GKBVNCKGZNJBCO-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 biogenic IHAARN COC(=O)c1nc2n(n1)[C@H](c1ccccc1F)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009608885 569552256 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ZINC000009956951 569574807 /nfs/dbraw/zinc/57/48/07/569574807.db2.gz KFNJLEVZRIKSQP-NRFANRHFSA-N 0 0 434.508 3.729 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccc2c(c1)OCCCO2 ZINC000009960823 569575473 /nfs/dbraw/zinc/57/54/73/569575473.db2.gz KIDBNSURAMABDZ-QHCPKHFHSA-N 0 0 433.508 3.631 50 0 IHAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071333642 569575669 /nfs/dbraw/zinc/57/56/69/569575669.db2.gz KMBQODFIMPJYIV-OAHLLOKOSA-N 0 0 425.920 3.680 50 0 IHAARN COc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1 ZINC000009963596 569575775 /nfs/dbraw/zinc/57/57/75/569575775.db2.gz ALPXFFGVZBGVJV-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009972373 569576363 /nfs/dbraw/zinc/57/63/63/569576363.db2.gz UBQYFEJVMHKVGL-GMWOSMDTSA-N 0 0 447.535 3.806 50 0 IHAARN O=C(c1ccccc1Br)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009972136 569576373 /nfs/dbraw/zinc/57/63/73/569576373.db2.gz KECUPNPBRBAMBF-HNNXBMFYSA-N 0 0 442.762 3.932 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000009983633 569576593 /nfs/dbraw/zinc/57/65/93/569576593.db2.gz GXCGMTVBQLSZCQ-UHFFFAOYSA-N 0 0 441.915 3.987 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCc2ccccc21 ZINC000009987066 569576760 /nfs/dbraw/zinc/57/67/60/569576760.db2.gz DCZZATJGQQPYFT-ZDUSSCGKSA-N 0 0 442.924 3.806 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1OC ZINC000010131869 569578088 /nfs/dbraw/zinc/57/80/88/569578088.db2.gz DQGNCUQBRKUKOR-UHFFFAOYSA-N 0 0 434.279 3.873 50 0 IHAARN CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1ccc(Cl)cc1Cl)nc2C(N)=O ZINC000010188011 569578736 /nfs/dbraw/zinc/57/87/36/569578736.db2.gz ZCXOTONEFJPOPG-UHFFFAOYSA-N 0 0 444.278 3.580 50 0 IHAARN COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1OC ZINC000010188160 569578791 /nfs/dbraw/zinc/57/87/91/569578791.db2.gz OEPUKNCMVZGCJY-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000010241286 569579740 /nfs/dbraw/zinc/57/97/40/569579740.db2.gz PSRFEAKVWOIJLV-SNVBAGLBSA-N 0 0 432.828 3.773 50 0 IHAARN Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1-c1cccc(C)c1C ZINC000010271829 569580070 /nfs/dbraw/zinc/58/00/70/569580070.db2.gz CQMCKOUHSXJKTR-UHFFFAOYSA-N 0 0 441.535 3.697 50 0 IHAARN Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n12 ZINC000010271900 569580087 /nfs/dbraw/zinc/58/00/87/569580087.db2.gz XQMWBXXHYUOQGS-FMIVXFBMSA-N 0 0 443.482 3.608 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000010272820 569580248 /nfs/dbraw/zinc/58/02/48/569580248.db2.gz FDBGDBPKWFTCMI-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)nc2)n1 ZINC000071768353 569580706 /nfs/dbraw/zinc/58/07/06/569580706.db2.gz NGDZBKCHMSMQBE-UHFFFAOYSA-N 0 0 442.401 3.829 50 0 IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)c2)n1 ZINC000071768529 569580749 /nfs/dbraw/zinc/58/07/49/569580749.db2.gz XDGLGTKSQCTQSF-UHFFFAOYSA-N 0 0 442.401 3.829 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4OCC)c3)c2)n1 ZINC000071768440 569580758 /nfs/dbraw/zinc/58/07/58/569580758.db2.gz ALKXXYASFCNSTK-UHFFFAOYSA-N 0 0 432.484 3.599 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1 ZINC000071768921 569580836 /nfs/dbraw/zinc/58/08/36/569580836.db2.gz XFMIUVRUJLSVBJ-UHFFFAOYSA-N 0 0 431.536 3.966 50 0 IHAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1OC ZINC000010336986 569581162 /nfs/dbraw/zinc/58/11/62/569581162.db2.gz XQLRUPDGLZVURF-GOTSBHOMSA-N 0 0 440.463 3.645 50 0 IHAARN O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Cl ZINC000071818536 569581934 /nfs/dbraw/zinc/58/19/34/569581934.db2.gz UDTMJVHZTSSHNS-OAHLLOKOSA-N 0 0 443.931 3.983 50 0 IHAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000071844174 569582323 /nfs/dbraw/zinc/58/23/23/569582323.db2.gz NFGYQCLKRPEOMK-TYBLODHISA-N 0 0 437.515 3.778 50 0 IHAARN COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3nc4ccccc4s3)cc2c1OC ZINC000013733199 569584697 /nfs/dbraw/zinc/58/46/97/569584697.db2.gz FYSQHXVMKPJXMP-UHFFFAOYSA-N 0 0 438.509 3.944 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2cccc3ccccc32)cc1 ZINC000077117461 569585661 /nfs/dbraw/zinc/58/56/61/569585661.db2.gz GXQWSCRKAAMBKG-QHCPKHFHSA-N 0 0 440.565 3.724 50 0 IHAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000021038411 569587176 /nfs/dbraw/zinc/58/71/76/569587176.db2.gz ZLGBDOFELPJFKA-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000000753041 291367099 /nfs/dbraw/zinc/36/70/99/291367099.db2.gz PZTQKEPOQFVJTF-HNNXBMFYSA-N 0 0 442.265 3.813 50 0 biogenic,in-vitro IHAARN CCOc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)cc1 ZINC000000630938 193863481 /nfs/dbraw/zinc/86/34/81/193863481.db2.gz FGAHYIRMHKQPRZ-UHFFFAOYSA-N 0 0 440.521 3.825 50 0 IHAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Br)ccc21)c1ccc(Br)cc1 ZINC000000642098 193867877 /nfs/dbraw/zinc/86/78/77/193867877.db2.gz FHTNNIQJIDYYEK-INIZCTEOSA-N 0 0 425.076 3.624 50 0 IHAARN CCOc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000000653114 193873556 /nfs/dbraw/zinc/87/35/56/193873556.db2.gz YOUXVUYJOOTXDH-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CCOc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000656517 193874978 /nfs/dbraw/zinc/87/49/78/193874978.db2.gz QJWQOBZPPCAFMC-UHFFFAOYSA-N 0 0 430.570 3.992 50 0 IHAARN CCn1c(CSc2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006147742 193884714 /nfs/dbraw/zinc/88/47/14/193884714.db2.gz JPZLDPGDAYBWDN-UHFFFAOYSA-N 0 0 443.554 3.649 50 0 IHAARN COCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000009834560 193901219 /nfs/dbraw/zinc/90/12/19/193901219.db2.gz GGSIIJMMVPTTDG-UHFFFAOYSA-N 0 0 427.457 3.659 50 0 IHAARN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)NCCc1ccc(Cl)cc1 ZINC000009851309 193907668 /nfs/dbraw/zinc/90/76/68/193907668.db2.gz OXZCVYBNZHDULX-UHFFFAOYSA-N 0 0 428.895 3.957 50 0 IHAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000051319421 193925196 /nfs/dbraw/zinc/92/51/96/193925196.db2.gz TXYGRPCLPBFQID-UHFFFAOYSA-N 0 0 431.851 3.571 50 0 IHAARN Cc1ccc(S(=O)(=O)n2c(I)cc3c2nccc3Cl)cc1 ZINC000051951683 193926597 /nfs/dbraw/zinc/92/65/97/193926597.db2.gz OOZQRJFRYLCREJ-UHFFFAOYSA-N 0 0 432.670 3.840 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000000624262 132227739 /nfs/dbraw/zinc/22/77/39/132227739.db2.gz POGTYBBOSRFZFJ-UHFFFAOYSA-N 0 0 449.985 3.889 50 0 IHAARN Cc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000009519331 132233227 /nfs/dbraw/zinc/23/32/27/132233227.db2.gz CXHOMKXWYWOLIP-HNNXBMFYSA-N 0 0 449.942 3.695 50 0 IHAARN CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccc(F)cc3)C(C(=O)OC)=C2)cc1 ZINC000001140924 132237261 /nfs/dbraw/zinc/23/72/61/132237261.db2.gz HKEBTLPVKDGLQQ-UHFFFAOYSA-N 0 0 439.439 3.720 50 0 IHAARN COc1cccc([C@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)c1OC ZINC000001427658 132245234 /nfs/dbraw/zinc/24/52/34/132245234.db2.gz XMCOUNKXBAMKOS-OAHLLOKOSA-N 0 0 444.281 3.798 50 0 IHAARN Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc(C)c1C ZINC000002616430 132255269 /nfs/dbraw/zinc/25/52/69/132255269.db2.gz GVZVLAMKRBRDRY-UHFFFAOYSA-N 0 0 440.491 3.988 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)N1CCCc2ccccc21 ZINC000002628264 132255461 /nfs/dbraw/zinc/25/54/61/132255461.db2.gz LOKZJEJSKKIRKU-QGZVFWFLSA-N 0 0 445.519 3.648 50 0 IHAARN Cc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)o1 ZINC000002642226 132255724 /nfs/dbraw/zinc/25/57/24/132255724.db2.gz IBNPMDIALRVBNM-UHFFFAOYSA-N 0 0 426.391 3.547 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2c3ccccc3O/C(=C/c3cccc(C)c3)C2=O)C1 ZINC000003061583 132261451 /nfs/dbraw/zinc/26/14/51/132261451.db2.gz VDDAGYXOQLWHAM-VRMLFSPKSA-N 0 0 448.519 3.563 50 0 IHAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000003226080 132262494 /nfs/dbraw/zinc/26/24/94/132262494.db2.gz AAPWGSPWXLGVNZ-UHFFFAOYSA-N 0 0 430.504 3.910 50 0 IHAARN COc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OCc1c(C)noc1C ZINC000003560355 132266172 /nfs/dbraw/zinc/26/61/72/132266172.db2.gz OXJBDKLCDAGQTI-UHFFFAOYSA-N 0 0 437.496 3.968 50 0 IHAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000003665859 132267272 /nfs/dbraw/zinc/26/72/72/132267272.db2.gz UMRFQFWYBNCXLL-RUZDIDTESA-N 0 0 447.491 3.608 50 0 IHAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000003670134 132267513 /nfs/dbraw/zinc/26/75/13/132267513.db2.gz XFAUDHVSOMJKIN-XMMPIXPASA-N 0 0 435.455 3.738 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1 ZINC000004056349 132269100 /nfs/dbraw/zinc/26/91/00/132269100.db2.gz DEQICXGZEHFHGJ-HSZRJFAPSA-N 0 0 449.595 3.652 50 0 IHAARN c1nn(-c2ccccc2)c2nc(N3CCCCC3)nc(N3CCN(c4ccccn4)CC3)c12 ZINC000004296065 132271452 /nfs/dbraw/zinc/27/14/52/132271452.db2.gz HHECWDWZJSCJNJ-UHFFFAOYSA-N 0 0 440.555 3.527 50 0 IHAARN S=C(NN=c1nc(N2CCCCC2)nc(Nc2ccccc2)[nH]1)NC1CCCCC1 ZINC000005129621 132275036 /nfs/dbraw/zinc/27/50/36/132275036.db2.gz UDGIYLMEUCNXAN-UHFFFAOYSA-N 0 0 426.594 3.729 50 0 IHAARN Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c1c1ccccc1n(C)c2=O ZINC000006577701 132277799 /nfs/dbraw/zinc/27/77/99/132277799.db2.gz OZMORCSBEPTAMU-UHFFFAOYSA-N 0 0 434.927 3.646 50 0 aggregator IHAARN COCc1nc(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000006773314 132278929 /nfs/dbraw/zinc/27/89/29/132278929.db2.gz SLAQXHPSATYYJM-UHFFFAOYSA-N 0 0 430.980 3.870 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@@H](C(=O)NCc3ccccc3F)C1)C[C@H](C)O2 ZINC000006842476 132279575 /nfs/dbraw/zinc/27/95/75/132279575.db2.gz QKYLFVLQWJLEBS-PKOBYXMFSA-N 0 0 425.504 3.870 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)C1 ZINC000006945003 132279997 /nfs/dbraw/zinc/27/99/97/132279997.db2.gz ZMYCZDCTJSWITA-INIZCTEOSA-N 0 0 426.952 3.828 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000008602694 132286770 /nfs/dbraw/zinc/28/67/70/132286770.db2.gz HSSTWRWPQATWAW-SFHVURJKSA-N 0 0 441.553 3.866 50 0 IHAARN Cc1nnc(N2CCN(c3ccccc3F)CC2)c2c1nnn2Cc1ccccc1Cl ZINC000008613260 132288596 /nfs/dbraw/zinc/28/85/96/132288596.db2.gz RSGUHRYXVNGKRB-UHFFFAOYSA-N 0 0 437.910 3.697 50 0 IHAARN CCc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(C)S2(=O)=O ZINC000008673253 132289895 /nfs/dbraw/zinc/28/98/95/132289895.db2.gz QTKUVMQRDANXSC-UHFFFAOYSA-N 0 0 440.550 3.575 50 0 IHAARN O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000008721716 132291817 /nfs/dbraw/zinc/29/18/17/132291817.db2.gz COXOKPVRCYJRCT-UHFFFAOYSA-N 0 0 443.528 3.945 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000008904360 132297345 /nfs/dbraw/zinc/29/73/45/132297345.db2.gz CBRTYGJCLPLQOK-UHFFFAOYSA-N 0 0 445.947 3.914 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCN2C(=O)CSc3ncccc32)CC1 ZINC000008912884 132297808 /nfs/dbraw/zinc/29/78/08/132297808.db2.gz DTNCAECQBBOUSH-UHFFFAOYSA-N 0 0 444.988 3.611 50 0 IHAARN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009059694 132301319 /nfs/dbraw/zinc/30/13/19/132301319.db2.gz DHPSFNJRFRKTCB-LLVKDONJSA-N 0 0 439.734 3.846 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000009095853 132302820 /nfs/dbraw/zinc/30/28/20/132302820.db2.gz GSRKIQHHOCKKAO-UHFFFAOYSA-N 0 0 431.924 3.705 50 0 IHAARN COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)cc1 ZINC000009119265 132304750 /nfs/dbraw/zinc/30/47/50/132304750.db2.gz ZKEHBXZDGGTXNH-UHFFFAOYSA-N 0 0 444.528 3.755 50 0 IHAARN Cc1cccc(N2N=C(C(=O)N3CCc4cc5c(cc4[C@@H]3C)OCCCO5)CCC2=O)c1 ZINC000009130484 132306004 /nfs/dbraw/zinc/30/60/04/132306004.db2.gz KUJTZXNCPDBPTO-KRWDZBQOSA-N 0 0 433.508 3.785 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c1 ZINC000009206008 132308511 /nfs/dbraw/zinc/30/85/11/132308511.db2.gz QPXDFMWSZXIVGU-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)cc1 ZINC000009209567 132308808 /nfs/dbraw/zinc/30/88/08/132308808.db2.gz YIGMEAHSTIEJRA-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCCc2ccccc21 ZINC000009211163 132308975 /nfs/dbraw/zinc/30/89/75/132308975.db2.gz NNAYMNHYZAAFQB-LJQANCHMSA-N 0 0 430.556 3.749 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000009251940 132311076 /nfs/dbraw/zinc/31/10/76/132311076.db2.gz YBJKXUWCDXOUOJ-SFHVURJKSA-N 0 0 441.959 3.891 50 0 IHAARN Cc1nn([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000009252000 132311077 /nfs/dbraw/zinc/31/10/77/132311077.db2.gz SWWAAAYHEMCSEQ-QGZVFWFLSA-N 0 0 432.549 3.829 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2C)cc1 ZINC000009291028 132312877 /nfs/dbraw/zinc/31/28/77/132312877.db2.gz QFKPBMWRLUTPAG-UHFFFAOYSA-N 0 0 441.988 3.885 50 0 IHAARN CN(c1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000009315897 132313630 /nfs/dbraw/zinc/31/36/30/132313630.db2.gz RVSFYROBBUUTRB-UHFFFAOYSA-N 0 0 436.533 3.870 50 0 IHAARN Cc1c(O)ccc2c(C)c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc12 ZINC000009423013 132316541 /nfs/dbraw/zinc/31/65/41/132316541.db2.gz QVPFHSUJCJVDCF-UHFFFAOYSA-N 0 0 426.900 3.660 50 0 IHAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000009516778 132320116 /nfs/dbraw/zinc/32/01/16/132320116.db2.gz ISWKSRRWKDRTKP-UHFFFAOYSA-N 0 0 444.564 3.565 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccccc1OC ZINC000009530316 132320938 /nfs/dbraw/zinc/32/09/38/132320938.db2.gz XVHYOCLWKWBFNI-UHFFFAOYSA-N 0 0 433.555 3.732 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 ZINC000009569472 132321913 /nfs/dbraw/zinc/32/19/13/132321913.db2.gz PUKLFNIQNRWRAS-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000009614182 132323680 /nfs/dbraw/zinc/32/36/80/132323680.db2.gz XQWXTSALWFFQOL-UHFFFAOYSA-N 0 0 438.480 3.679 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@@H]1c1ccccc1)C2=O ZINC000009614211 132323702 /nfs/dbraw/zinc/32/37/02/132323702.db2.gz NZYCISGFBVWNRH-FLPMJASOSA-N 0 0 433.508 3.654 50 0 IHAARN COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000009645823 132324779 /nfs/dbraw/zinc/32/47/79/132324779.db2.gz VMUKHUGIKMSHQT-UHFFFAOYSA-N 0 0 442.562 3.713 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000009721052 132327705 /nfs/dbraw/zinc/32/77/05/132327705.db2.gz UEVIKLYDERGHRC-UHFFFAOYSA-N 0 0 443.950 3.989 50 0 IHAARN O=C(CN1CCN(c2ccccn2)CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000009744286 132328202 /nfs/dbraw/zinc/32/82/02/132328202.db2.gz QLNKJTHIPWIASF-UHFFFAOYSA-N 0 0 447.608 3.772 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1 ZINC000009847253 132330026 /nfs/dbraw/zinc/33/00/26/132330026.db2.gz PKXCWUHRJHHFOH-UHFFFAOYSA-N 0 0 441.535 3.841 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009869879 132330660 /nfs/dbraw/zinc/33/06/60/132330660.db2.gz TZVCXGKCOPADGA-IYNHSRRRSA-N 0 0 448.519 3.668 50 0 IHAARN CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000009907725 132331238 /nfs/dbraw/zinc/33/12/38/132331238.db2.gz OFHDHNPEDNPHPH-UHFFFAOYSA-N 0 0 434.920 3.983 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1OC ZINC000009969761 132333214 /nfs/dbraw/zinc/33/32/14/132333214.db2.gz XEAIIDVJARAZKW-UHFFFAOYSA-N 0 0 449.486 3.998 50 0 IHAARN CCc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@H]3C)c3ccccc3S2(=O)=O)cc1 ZINC000010272834 132335375 /nfs/dbraw/zinc/33/53/75/132335375.db2.gz AKSINISPEJCBRI-QGZVFWFLSA-N 0 0 441.553 3.785 50 0 IHAARN Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCCCCC2)c2ccccc2S1(=O)=O ZINC000010273733 132335489 /nfs/dbraw/zinc/33/54/89/132335489.db2.gz FCANJULKOZDILG-UHFFFAOYSA-N 0 0 441.553 3.841 50 0 IHAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCc1ccc(OC)cc1 ZINC000011118611 132337378 /nfs/dbraw/zinc/33/73/78/132337378.db2.gz OMPTWCXEXUCZET-UHFFFAOYSA-N 0 0 436.533 3.750 50 0 IHAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3Cl)nc(N3CCOCC3)n2)cc1 ZINC000011613424 132338310 /nfs/dbraw/zinc/33/83/10/132338310.db2.gz KSGQGEQYBBKIQO-UHFFFAOYSA-N 0 0 442.907 3.866 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000011695349 132338726 /nfs/dbraw/zinc/33/87/26/132338726.db2.gz UJYLGWZLZVHJOK-UHFFFAOYSA-N 0 0 438.937 3.509 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697651 132339145 /nfs/dbraw/zinc/33/91/45/132339145.db2.gz KNHIFTCSPQICHQ-UHFFFAOYSA-N 0 0 428.418 3.596 50 0 IHAARN CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc(C(=O)OCC)c1 ZINC000012976704 132341114 /nfs/dbraw/zinc/34/11/14/132341114.db2.gz DXPUJQMAHODUPI-UHFFFAOYSA-N 0 0 438.480 3.809 50 0 IHAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012978781 132341260 /nfs/dbraw/zinc/34/12/60/132341260.db2.gz ZZVRHNUACKABQV-LJQANCHMSA-N 0 0 449.477 3.595 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013117409 132345101 /nfs/dbraw/zinc/34/51/01/132345101.db2.gz NOIKVDWXQKSJFI-UHFFFAOYSA-N 0 0 435.977 3.874 50 0 IHAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000013548815 132349546 /nfs/dbraw/zinc/34/95/46/132349546.db2.gz VEMSPBGAMAIBAX-NRFANRHFSA-N 0 0 428.492 3.713 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000013566671 132350339 /nfs/dbraw/zinc/35/03/39/132350339.db2.gz HJKMGXYWXMISCB-UHFFFAOYSA-N 0 0 438.505 3.827 50 0 IHAARN Cc1sc2nc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n3ncnc3c2c1C ZINC000013624815 132352138 /nfs/dbraw/zinc/35/21/38/132352138.db2.gz YRNZUOCQRYHATD-UHFFFAOYSA-N 0 0 441.948 3.963 50 0 IHAARN COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1 ZINC000013664464 132352748 /nfs/dbraw/zinc/35/27/48/132352748.db2.gz GTMKIPDZHBZTOF-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN CN(c1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000014124395 132356132 /nfs/dbraw/zinc/35/61/32/132356132.db2.gz SFMJJAGXFAVZCH-UHFFFAOYSA-N 0 0 442.562 3.931 50 0 IHAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)O[C@@H](C)C3)c2c1C ZINC000014166803 132356373 /nfs/dbraw/zinc/35/63/73/132356373.db2.gz BOLRKYDOJHJBCA-GJZGRUSLSA-N 0 0 432.590 3.776 50 0 IHAARN Brc1ccccc1-c1nn2c(COc3ccc4c(c3)OCO4)nnc2s1 ZINC000020732110 518224965 /nfs/dbraw/zinc/22/49/65/518224965.db2.gz QVMDEOGAYWPYBM-UHFFFAOYSA-N 0 0 431.271 3.923 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1C ZINC000036753833 518232107 /nfs/dbraw/zinc/23/21/07/518232107.db2.gz LVSMQXWNOLMANS-INIZCTEOSA-N 0 0 438.524 3.771 50 0 IHAARN CC(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)[C@@H](C)Oc3ccccc3)C2)cs1 ZINC000012451333 518262750 /nfs/dbraw/zinc/26/27/50/518262750.db2.gz NMOWXNDHJBCBLP-OPYAIIAOSA-N 0 0 440.565 3.871 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)[C@H](c1ccccc1)N1Cc3ccccc3C1=O)OCO2 ZINC000020531061 518295910 /nfs/dbraw/zinc/29/59/10/518295910.db2.gz JXNDOBUWHUTACF-QHCPKHFHSA-N 0 0 428.444 3.954 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1 ZINC000012751140 518438137 /nfs/dbraw/zinc/43/81/37/518438137.db2.gz RARQPVVAFYQHTC-UXHICEINSA-N 0 0 437.525 3.527 50 0 IHAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012911523 518556479 /nfs/dbraw/zinc/55/64/79/518556479.db2.gz USAWKJYBXZZMDH-UHFFFAOYSA-N 0 0 443.521 3.961 50 0 IHAARN CC(C)(C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)COCc1ccccc1 ZINC000035766800 518699929 /nfs/dbraw/zinc/69/99/29/518699929.db2.gz LIQFOYSDKDOJGZ-JOCHJYFZSA-N 0 0 442.556 3.631 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012356907 518702378 /nfs/dbraw/zinc/70/23/78/518702378.db2.gz GLFSZXHAPCCXQW-SFHVURJKSA-N 0 0 428.554 3.723 50 0 IHAARN CC(C)(C)OC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012409762 518811208 /nfs/dbraw/zinc/81/12/08/518811208.db2.gz GSJHWSKIPKYSOE-INIZCTEOSA-N 0 0 438.322 3.609 50 0 IHAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000012922064 519041908 /nfs/dbraw/zinc/04/19/08/519041908.db2.gz ZHVJKNLCKXISMY-LVXARBLLSA-N 0 0 436.552 3.680 50 0 IHAARN CC(C)C[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000242389577 519290382 /nfs/dbraw/zinc/29/03/82/519290382.db2.gz ZYMNYBJCQFRJBT-ZHALLVOQSA-N 0 0 437.565 3.588 50 0 IHAARN CC(=O)N(c1nc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)cs1)c1ccccc1 ZINC000023801040 519474233 /nfs/dbraw/zinc/47/42/33/519474233.db2.gz WURRUESEJHRCRD-BQYQJAHWSA-N 0 0 447.564 3.580 50 0 IHAARN CC(=O)N(c1nc(COC(=O)CCn2c(C)csc2=O)cs1)c1ccccc1F ZINC000012877738 519477867 /nfs/dbraw/zinc/47/78/67/519477867.db2.gz IYHWCRDITXXMME-UHFFFAOYSA-N 0 0 435.502 3.632 50 0 IHAARN CC(C)Cc1noc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCC4)n1 ZINC000012816155 519479080 /nfs/dbraw/zinc/47/90/80/519479080.db2.gz KVGATKBMIIUZMC-CYBMUJFWSA-N 0 0 446.598 4.000 50 0 IHAARN CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C ZINC000020677089 519607395 /nfs/dbraw/zinc/60/73/95/519607395.db2.gz UFVYZWHUEIGRLB-UHFFFAOYSA-N 0 0 433.556 3.516 50 0 IHAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccco1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866831 519702992 /nfs/dbraw/zinc/70/29/92/519702992.db2.gz YFPGABXIOSQEGJ-RUZDIDTESA-N 0 0 448.523 3.666 50 0 IHAARN CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000023515569 519705538 /nfs/dbraw/zinc/70/55/38/519705538.db2.gz PESKMSBMBMVMFV-CYBMUJFWSA-N 0 0 433.020 3.714 50 0 IHAARN CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)c2ccc(-c3ccco3)cc2)CC1=O ZINC000020779313 519732525 /nfs/dbraw/zinc/73/25/25/519732525.db2.gz KYDKSXSVOULLJO-QHCPKHFHSA-N 0 0 447.535 3.867 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 ZINC000012798350 519737715 /nfs/dbraw/zinc/73/77/15/519737715.db2.gz TZDRAJWMDHQOCU-HOTGVXAUSA-N 0 0 429.542 3.849 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 ZINC000015421708 519744299 /nfs/dbraw/zinc/74/42/99/519744299.db2.gz AQHJIEWCXMSADI-UHFFFAOYSA-N 0 0 427.460 3.736 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021862153 519762264 /nfs/dbraw/zinc/76/22/64/519762264.db2.gz GLDXQMVUMLIJCN-RUZDIDTESA-N 0 0 440.588 3.905 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000032973953 519779273 /nfs/dbraw/zinc/77/92/73/519779273.db2.gz JGEJTOJNCNPZJC-UHFFFAOYSA-N 0 0 430.570 3.581 50 0 IHAARN CC(C)c1ccc([C@@H](NCc2nc3ccccc3c(=O)n2CC(N)=O)c2cccs2)cc1 ZINC000012906168 519839263 /nfs/dbraw/zinc/83/92/63/519839263.db2.gz TVYPXLSIFSQYDO-XMMPIXPASA-N 0 0 446.576 3.946 50 0 IHAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000036003098 519868916 /nfs/dbraw/zinc/86/89/16/519868916.db2.gz CRPYYZKCZOQDMS-UHFFFAOYSA-N 0 0 435.576 3.959 50 0 IHAARN CC(C)c1nc2oc3c(ncnc3NCCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020503672 519872440 /nfs/dbraw/zinc/87/24/40/519872440.db2.gz ONVCQTSNJCDPLQ-UHFFFAOYSA-N 0 0 439.560 3.880 50 0 IHAARN CCCNC(=O)N1CCN(c2nc(C(C)C)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000036016644 519883662 /nfs/dbraw/zinc/88/36/62/519883662.db2.gz MYDUVVITEBOFTQ-UHFFFAOYSA-N 0 0 441.967 3.834 50 0 IHAARN CCCNC(=O)NCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000035946489 519885362 /nfs/dbraw/zinc/88/53/62/519885362.db2.gz WLAGOUVXCHXGDG-FQEVSTJZSA-N 0 0 428.920 3.736 50 0 IHAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 ZINC000033310262 519886899 /nfs/dbraw/zinc/88/68/99/519886899.db2.gz ZBHGRBPZLCTSLR-QGZVFWFLSA-N 0 0 429.565 3.911 50 0 IHAARN CCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054350 519890637 /nfs/dbraw/zinc/89/06/37/519890637.db2.gz ISMRBGBYWFUZOP-RTBURBONSA-N 0 0 430.932 3.739 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000021710021 519895405 /nfs/dbraw/zinc/89/54/05/519895405.db2.gz CFQMMXJBJLQBPR-SFHVURJKSA-N 0 0 427.932 3.971 50 0 IHAARN CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1 ZINC000021871902 519923749 /nfs/dbraw/zinc/92/37/49/519923749.db2.gz MSWHLZYGTPVRKW-KRWDZBQOSA-N 0 0 428.554 3.509 50 0 IHAARN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012854734 519930199 /nfs/dbraw/zinc/93/01/99/519930199.db2.gz QUXPMPHIOYAXNS-UHFFFAOYSA-N 0 0 428.558 3.635 50 0 IHAARN CC1(C)CC(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2O1 ZINC000020759942 520274144 /nfs/dbraw/zinc/27/41/44/520274144.db2.gz NXYLDKZBETXCBF-RMKNXTFCSA-N 0 0 434.536 3.667 50 0 biogenic IHAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2c1=O ZINC000004766395 520330662 /nfs/dbraw/zinc/33/06/62/520330662.db2.gz YNFBTBFMSUYAFM-IBGZPJMESA-N 0 0 448.567 3.539 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000012888620 520359605 /nfs/dbraw/zinc/35/96/05/520359605.db2.gz HOGIKZPSBOLUAV-HNNXBMFYSA-N 0 0 430.936 3.894 50 0 IHAARN CCN(CC)C(=O)C1CCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC1 ZINC000012454474 520440789 /nfs/dbraw/zinc/44/07/89/520440789.db2.gz UIAGKVYACCEPJT-UHFFFAOYSA-N 0 0 445.567 3.636 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)Cc1ccc(OC)cc1 ZINC000035766845 520441219 /nfs/dbraw/zinc/44/12/19/520441219.db2.gz RACABSHGCOBJLT-QHCPKHFHSA-N 0 0 442.556 3.667 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1F ZINC000012522437 520478593 /nfs/dbraw/zinc/47/85/93/520478593.db2.gz KEBPRLSOFWHNNG-FQEVSTJZSA-N 0 0 428.485 3.870 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012689036 520522292 /nfs/dbraw/zinc/52/22/92/520522292.db2.gz CRGRKHCCZMGLST-GOSISDBHSA-N 0 0 432.835 3.507 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2c(F)cccc2Cl)NC(=O)N[C@H]1c1cccs1 ZINC000012489175 520522337 /nfs/dbraw/zinc/52/23/37/520522337.db2.gz GHEZFNUFANUGGX-INIZCTEOSA-N 0 0 438.864 3.569 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCC2)s1 ZINC000017287138 520546090 /nfs/dbraw/zinc/54/60/90/520546090.db2.gz WRJWYNKTEORRMD-UHFFFAOYSA-N 0 0 449.019 3.803 50 0 IHAARN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012508085 520561144 /nfs/dbraw/zinc/56/11/44/520561144.db2.gz NFTHYNVFEJNVKU-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)CC1 ZINC000022626256 520583617 /nfs/dbraw/zinc/58/36/17/520583617.db2.gz VCBAANHWUWEIGG-SFHVURJKSA-N 0 0 444.557 3.568 50 0 IHAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)C1 ZINC000021709495 520655594 /nfs/dbraw/zinc/65/55/94/520655594.db2.gz AFWVGBLICORDRN-GOSISDBHSA-N 0 0 425.504 3.847 50 0 IHAARN CCOc1cc(CNC(=O)CCC(=O)N2Cc3cccn3-c3ccccc32)ccc1OC ZINC000021663672 520703024 /nfs/dbraw/zinc/70/30/24/520703024.db2.gz WILVTHOEIXNJDE-UHFFFAOYSA-N 0 0 433.508 3.828 50 0 IHAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2[n-]c1=S ZINC000020645473 520714124 /nfs/dbraw/zinc/71/41/24/520714124.db2.gz OYNQGRYPQGPUPZ-UHFFFAOYSA-N 0 0 444.988 3.610 50 0 IHAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(=O)OC)o3)c(C)c2oc1=O ZINC000041105507 520715572 /nfs/dbraw/zinc/71/55/72/520715572.db2.gz AYOHSVZQFMRNCS-UHFFFAOYSA-N 0 0 428.437 3.864 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)ccc1O ZINC000021784160 520776721 /nfs/dbraw/zinc/77/67/21/520776721.db2.gz OLQADQLPLLLBEJ-HNNXBMFYSA-N 0 0 441.484 3.780 50 0 IHAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(C)c1 ZINC000020895777 520778513 /nfs/dbraw/zinc/77/85/13/520778513.db2.gz FKNPOAYXXIKCIE-FQEVSTJZSA-N 0 0 441.509 3.614 50 0 IHAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895513 520779406 /nfs/dbraw/zinc/77/94/06/520779406.db2.gz IYDRUAMPJXFSJD-FQEVSTJZSA-N 0 0 431.489 3.804 50 0 IHAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000021892611 520783128 /nfs/dbraw/zinc/78/31/28/520783128.db2.gz RZHCNGJQTUDCAH-DEOSSOPVSA-N 0 0 449.507 3.672 50 0 IHAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021892615 520784931 /nfs/dbraw/zinc/78/49/31/520784931.db2.gz RZHCNGJQTUDCAH-XMMPIXPASA-N 0 0 449.507 3.672 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3ccc(Cl)cc3)n2C)c1 ZINC000035560983 520815399 /nfs/dbraw/zinc/81/53/99/520815399.db2.gz LLBXJOPMBPZXCE-UHFFFAOYSA-N 0 0 447.988 3.835 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4c[nH]c5ccccc54)nnc3c2=O)cc1 ZINC000035447939 520838711 /nfs/dbraw/zinc/83/87/11/520838711.db2.gz ULAXWDZZOXIGEG-UHFFFAOYSA-N 0 0 445.504 3.735 50 0 IHAARN CCN(CC)c1cc(COC)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000036061608 520876423 /nfs/dbraw/zinc/87/64/23/520876423.db2.gz XSHJFSCOHZIBSN-FQEVSTJZSA-N 0 0 444.601 3.670 50 0 IHAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000012865127 520940662 /nfs/dbraw/zinc/94/06/62/520940662.db2.gz YGAOAHKTWQKJEC-OAHLLOKOSA-N 0 0 435.322 3.501 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)CC1 ZINC000012594599 520944350 /nfs/dbraw/zinc/94/43/50/520944350.db2.gz YSGQVWIHWXFKDI-UHFFFAOYSA-N 0 0 448.523 3.561 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000012745137 520949127 /nfs/dbraw/zinc/94/91/27/520949127.db2.gz XRXRDXZAKVZMSM-UHFFFAOYSA-N 0 0 428.876 3.700 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc3ccsc3n2Cc2cccc(OC)c2)CC1 ZINC000035843901 520949769 /nfs/dbraw/zinc/94/97/69/520949769.db2.gz ZHNSPOZHXDMIQS-UHFFFAOYSA-N 0 0 427.526 3.674 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000021045418 520951101 /nfs/dbraw/zinc/95/11/01/520951101.db2.gz RLYJANWELKRBFB-IBGZPJMESA-N 0 0 430.932 3.849 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4cccs4)ccc3n2CC)CC1 ZINC000020893361 520955897 /nfs/dbraw/zinc/95/58/97/520955897.db2.gz PFXZNBZZKNAIQS-UHFFFAOYSA-N 0 0 441.557 3.644 50 0 IHAARN CCOC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2OC)C1=O ZINC000020547642 520994333 /nfs/dbraw/zinc/99/43/33/520994333.db2.gz SOWNXVVDMHRSBX-OAQYLSRUSA-N 0 0 449.429 3.531 50 0 IHAARN CCN(CCCNC(=O)Cn1cnc2c3cc(C)ccc3[nH]c2c1=O)c1cccc(C)c1 ZINC000035423770 521016222 /nfs/dbraw/zinc/01/62/22/521016222.db2.gz ZGTNIRCTNNGGKM-UHFFFAOYSA-N 0 0 431.540 3.527 50 0 IHAARN CCOC(=O)[C@@H](C)OC(=O)c1cnn2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000021788937 521031485 /nfs/dbraw/zinc/03/14/85/521031485.db2.gz CDGCXAYUAMFQNV-LLVKDONJSA-N 0 0 437.374 3.532 50 0 IHAARN CCOc1ccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 ZINC000020604273 521046631 /nfs/dbraw/zinc/04/66/31/521046631.db2.gz XQSSQMZLZUZYKP-UHFFFAOYSA-N 0 0 427.501 3.954 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000020930982 521054540 /nfs/dbraw/zinc/05/45/40/521054540.db2.gz ZIELQKIFFNPOAE-UHFFFAOYSA-N 0 0 434.544 3.807 50 0 IHAARN CCOc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000033062734 521057141 /nfs/dbraw/zinc/05/71/41/521057141.db2.gz VEDNHUHWHMRPJZ-UHFFFAOYSA-N 0 0 449.916 3.667 50 0 IHAARN CCOc1ccc(NC(=O)COc2cc(CSc3ncccn3)ncc2OC)cc1 ZINC000015824283 521065843 /nfs/dbraw/zinc/06/58/43/521065843.db2.gz JSKQWEFIVVKLRX-UHFFFAOYSA-N 0 0 426.498 3.589 50 0 IHAARN CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000009659290 521073323 /nfs/dbraw/zinc/07/33/23/521073323.db2.gz UMWFIXQIZDSVAC-UHFFFAOYSA-N 0 0 425.466 3.704 50 0 IHAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC ZINC000035948636 521081573 /nfs/dbraw/zinc/08/15/73/521081573.db2.gz JYLGCEAWVWSXPJ-HXUWFJFHSA-N 0 0 443.931 3.903 50 0 IHAARN CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccccc2)s1)C1CC1 ZINC000012915542 521092325 /nfs/dbraw/zinc/09/23/25/521092325.db2.gz JBNXTUASQJBBIZ-UHFFFAOYSA-N 0 0 442.570 3.668 50 0 IHAARN CCC(=O)NC1CCC(Nc2nc(COC)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000036024929 521170540 /nfs/dbraw/zinc/17/05/40/521170540.db2.gz LSRHHOHMITUNRN-UHFFFAOYSA-N 0 0 436.560 3.828 50 0 IHAARN CCOc1ccc(OS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)cc1 ZINC000225703557 521180083 /nfs/dbraw/zinc/18/00/83/521180083.db2.gz KBISLGJYJOESSX-UHFFFAOYSA-N 0 0 431.695 3.917 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000012596834 521183473 /nfs/dbraw/zinc/18/34/73/521183473.db2.gz VHYGEAATFCOGGX-AREMUKBSSA-N 0 0 431.536 3.960 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000012820883 521200798 /nfs/dbraw/zinc/20/07/98/521200798.db2.gz IHYBSAQNOGRGBI-KRWDZBQOSA-N 0 0 426.538 3.784 50 0 IHAARN CCC(=O)Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019401 521205861 /nfs/dbraw/zinc/20/58/61/521205861.db2.gz FNLLFDSSGHRQIO-UHFFFAOYSA-N 0 0 440.588 3.500 50 0 IHAARN CCOc1ccc(Sc2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000020724932 521215690 /nfs/dbraw/zinc/21/56/90/521215690.db2.gz LHKMQHTVDMYZCT-UHFFFAOYSA-N 0 0 437.565 3.847 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1Cl)[C@H](C(=O)N1CCCC1)C2 ZINC000065166963 521219580 /nfs/dbraw/zinc/21/95/80/521219580.db2.gz MRILVBVWOKTCMF-NRFANRHFSA-N 0 0 439.943 3.878 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000012291654 521245577 /nfs/dbraw/zinc/24/55/77/521245577.db2.gz OXYQSKGJXKRNST-TXPKVOOTSA-N 0 0 442.821 3.843 50 0 IHAARN CCCCc1nc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)c[nH]1 ZINC000012445843 521295033 /nfs/dbraw/zinc/29/50/33/521295033.db2.gz IIRQERRDXJGMRT-UHFFFAOYSA-N 0 0 448.995 3.825 50 0 IHAARN CCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)sc2c1 ZINC000012778093 521302397 /nfs/dbraw/zinc/30/23/97/521302397.db2.gz XEEVQNKXYNFDMA-UHFFFAOYSA-N 0 0 445.975 3.669 50 0 IHAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCc4cccnc4)C3)nc(C)c2c1 ZINC000012034257 521303256 /nfs/dbraw/zinc/30/32/56/521303256.db2.gz ZTYGWTKHVBYVNP-HXUWFJFHSA-N 0 0 433.556 3.697 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)sc2c1 ZINC000022024675 521305558 /nfs/dbraw/zinc/30/55/58/521305558.db2.gz DTASMZBAJZKOOD-GFCCVEGCSA-N 0 0 431.539 3.658 50 0 IHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000014390280 521332352 /nfs/dbraw/zinc/33/23/52/521332352.db2.gz KPUNNAWXVRHMQK-UHFFFAOYSA-N 0 0 441.487 3.819 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000012711825 521355274 /nfs/dbraw/zinc/35/52/74/521355274.db2.gz NKWFGOAETWXUJU-QFIPXVFZSA-N 0 0 433.501 3.687 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 ZINC000012385774 521355435 /nfs/dbraw/zinc/35/54/35/521355435.db2.gz CEVSOQXDGRKTJD-DEOSSOPVSA-N 0 0 445.462 3.780 50 0 IHAARN CCN(Cc1ccccc1)C(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109521 521362301 /nfs/dbraw/zinc/36/23/01/521362301.db2.gz OTPXIDMWNCHCAH-YTTGMZPUSA-N 0 0 446.576 3.960 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000012889541 521362571 /nfs/dbraw/zinc/36/25/71/521362571.db2.gz YORIBUKLWWVHPW-UHFFFAOYSA-N 0 0 425.407 3.538 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C ZINC000012852794 521362745 /nfs/dbraw/zinc/36/27/45/521362745.db2.gz RLMSPCUTDWDBRU-UHFFFAOYSA-N 0 0 428.407 3.829 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C ZINC000012513414 521362754 /nfs/dbraw/zinc/36/27/54/521362754.db2.gz JHUMNVRQSQXOGK-QGZVFWFLSA-N 0 0 441.528 3.983 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)c2ccco2)c1C ZINC000036004279 521364529 /nfs/dbraw/zinc/36/45/29/521364529.db2.gz 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CCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O ZINC000012099764 521522211 /nfs/dbraw/zinc/52/22/11/521522211.db2.gz OXLBUSSSXMBALD-AMGIVPHBSA-N 0 0 448.563 3.610 50 0 IHAARN CCOC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000021443266 521523577 /nfs/dbraw/zinc/52/35/77/521523577.db2.gz INTXVOSNSGAHGC-QGZVFWFLSA-N 0 0 436.386 3.548 50 0 IHAARN CCOC(=O)c1ccc(OC[C@H](O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000012898592 521525534 /nfs/dbraw/zinc/52/55/34/521525534.db2.gz XMJRVYPPKJCPCU-QGZVFWFLSA-N 0 0 442.471 3.864 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000020445827 521573182 /nfs/dbraw/zinc/57/31/82/521573182.db2.gz CCLCBAAPVWSORI-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(Cl)cc(OC)cc3OC)cc2)c1N ZINC000021115428 521579322 /nfs/dbraw/zinc/57/93/22/521579322.db2.gz IJCVGEHZWHYPHC-UHFFFAOYSA-N 0 0 444.875 3.554 50 0 IHAARN CCOc1ccccc1[C@H]1OCCn2c(-c3cccc(C)c3)c3c(c21)n(C)c(=O)n(C)c3=O 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ZINC000012042114 522286745 /nfs/dbraw/zinc/28/67/45/522286745.db2.gz IJAMRWBGARBCPU-UHFFFAOYSA-N 0 0 438.549 3.765 50 0 IHAARN COC(=O)c1cn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000029797682 522311229 /nfs/dbraw/zinc/31/12/29/522311229.db2.gz WPABFQDADOENHE-FQEVSTJZSA-N 0 0 434.492 3.953 50 0 IHAARN COc1cc(CN(C2CC2)S(=O)(=O)c2cccc(C(C)=O)c2)ccc1OC(F)F ZINC000012917105 522358209 /nfs/dbraw/zinc/35/82/09/522358209.db2.gz LPCOCAVSUAQBPP-UHFFFAOYSA-N 0 0 425.453 3.853 50 0 IHAARN COc1cc(CNC(=O)C2(C)CCN(C(=O)CSc3ccccc3)CC2)cc(OC)c1 ZINC000035531025 522408296 /nfs/dbraw/zinc/40/82/96/522408296.db2.gz NYITVGXXPCIGJK-UHFFFAOYSA-N 0 0 442.581 3.741 50 0 IHAARN CCc1nc2ccccc2c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C ZINC000012801120 522497691 /nfs/dbraw/zinc/49/76/91/522497691.db2.gz LMNKINXENWQYBX-UHFFFAOYSA-N 0 0 427.526 3.617 50 0 IHAARN CCc1nc2cccnc2n1-c1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020559727 522506149 /nfs/dbraw/zinc/50/61/49/522506149.db2.gz KBQJXINUDFRUAC-UHFFFAOYSA-N 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ZINC000012856702 522872087 /nfs/dbraw/zinc/87/20/87/522872087.db2.gz BNZMWSZLXDSVKD-SFHVURJKSA-N 0 0 445.269 3.896 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)c2cccc(Br)c2)c2nccn2C)c1 ZINC000012767681 522876584 /nfs/dbraw/zinc/87/65/84/522876584.db2.gz LEIPDXYYTMNFJS-GOSISDBHSA-N 0 0 430.302 3.719 50 0 IHAARN COC(=O)C1CCN(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)CC1 ZINC000012548166 522909127 /nfs/dbraw/zinc/90/91/27/522909127.db2.gz USUQFMMRCCDSDA-UHFFFAOYSA-N 0 0 439.537 3.538 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCc4ccc(SC)cc4)C3)c12 ZINC000021533246 522923349 /nfs/dbraw/zinc/92/33/49/522923349.db2.gz UEHFKJYHMBBHSF-INIZCTEOSA-N 0 0 425.558 3.743 50 0 IHAARN CC[C@H]1CCCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012901577 523004906 /nfs/dbraw/zinc/00/49/06/523004906.db2.gz LHSIYTHDRIUQAL-IBGZPJMESA-N 0 0 430.570 3.990 50 0 IHAARN CN(CCn1ccnc1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000020775016 523009385 /nfs/dbraw/zinc/00/93/85/523009385.db2.gz YCWYRVZYZYSPBO-UHFFFAOYSA-N 0 0 448.958 3.515 50 0 IHAARN COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000020990351 523071626 /nfs/dbraw/zinc/07/16/26/523071626.db2.gz OUHLQWAJWHWMDX-UHFFFAOYSA-N 0 0 440.521 3.754 50 0 IHAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 ZINC000020733410 523072967 /nfs/dbraw/zinc/07/29/67/523072967.db2.gz ZAUYYLKSQBAHGV-QHCPKHFHSA-N 0 0 428.448 3.944 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996866 523100630 /nfs/dbraw/zinc/10/06/30/523100630.db2.gz AYZYZQCGXCTZAE-HNNXBMFYSA-N 0 0 445.928 3.824 50 0 IHAARN COc1ccc(-c2cc([C@@H]3CCCCCN3S(=O)(=O)N3CCCC3)no2)cc1OC ZINC000012187875 523115128 /nfs/dbraw/zinc/11/51/28/523115128.db2.gz GPSPBICCCVTNEJ-SFHVURJKSA-N 0 0 435.546 3.617 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000023529441 523152854 /nfs/dbraw/zinc/15/28/54/523152854.db2.gz OHUCPVLAQDYUOW-UHFFFAOYSA-N 0 0 438.952 3.685 50 0 IHAARN COc1ccc(-c2coc3cc(OCCN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1OC ZINC000020621776 523156941 /nfs/dbraw/zinc/15/69/41/523156941.db2.gz IPRUUBMACLENNN-IAGOWNOFSA-N 0 0 439.508 3.965 50 0 biogenic IHAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(OC)ccc1OC ZINC000015011271 523170692 /nfs/dbraw/zinc/17/06/92/523170692.db2.gz YFMSNNNOAONXAF-BOPFTXTBSA-N 0 0 446.912 3.505 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cn(C)nc1OC ZINC000012422650 523227499 /nfs/dbraw/zinc/22/74/99/523227499.db2.gz LDCZOASYXAYDNW-UHFFFAOYSA-N 0 0 441.344 3.745 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N3)cc1 ZINC000020744875 523235415 /nfs/dbraw/zinc/23/54/15/523235415.db2.gz LTWDMSBPFOVAKN-HNNXBMFYSA-N 0 0 432.267 3.783 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccc(C)c(F)c3)c1=O)c(C)nn2-c1ccccc1 ZINC000021040743 523254334 /nfs/dbraw/zinc/25/43/34/523254334.db2.gz UIHQXHNWZBTHGX-UHFFFAOYSA-N 0 0 433.487 3.929 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3ccc(Cl)cc3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641244 523254458 /nfs/dbraw/zinc/25/44/58/523254458.db2.gz JOMHECPEXRPTOP-UHFFFAOYSA-N 0 0 449.942 3.813 50 0 IHAARN CCn1c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2nc(C)c1=O ZINC000021522211 523261166 /nfs/dbraw/zinc/26/11/66/523261166.db2.gz YKFUMJQQKDXJFT-UHFFFAOYSA-N 0 0 433.430 3.734 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C)no3)n2C[C@@H]2CCCO2)cc1 ZINC000021906431 523264479 /nfs/dbraw/zinc/26/44/79/523264479.db2.gz XDYLONCCBVTRCS-YOEHRIQHSA-N 0 0 443.529 3.548 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCn2cccc2[C@H]1C ZINC000012506399 523267393 /nfs/dbraw/zinc/26/73/93/523267393.db2.gz DGFBBBUZGCNAST-GOSISDBHSA-N 0 0 441.601 3.609 50 0 IHAARN COc1ccc(-c2noc(-c3cc4c(COC(=O)C(C)C)cnc(C)c4oc3=O)n2)cc1 ZINC000033267403 523273592 /nfs/dbraw/zinc/27/35/92/523273592.db2.gz YIYUDAFWIWGGOA-UHFFFAOYSA-N 0 0 435.436 3.921 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000020580754 523306199 /nfs/dbraw/zinc/30/61/99/523306199.db2.gz LCWRFMFBZLVSHP-UHFFFAOYSA-N 0 0 445.516 3.617 50 0 IHAARN CN(Cc1ccccc1Br)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000021232851 523357460 /nfs/dbraw/zinc/35/74/60/523357460.db2.gz VQSDDPRZDSPQEI-UHFFFAOYSA-N 0 0 445.338 3.770 50 0 IHAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1cccc(OC)c1)CO3 ZINC000020649519 523362170 /nfs/dbraw/zinc/36/21/70/523362170.db2.gz ROQRCBMAYNIVTF-UHFFFAOYSA-N 0 0 443.883 3.831 50 0 IHAARN COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc1OC ZINC000012802034 523419209 /nfs/dbraw/zinc/41/92/09/523419209.db2.gz CUZLBAZLOSHESZ-GHRIWEEISA-N 0 0 446.503 3.984 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000012619497 523495905 /nfs/dbraw/zinc/49/59/05/523495905.db2.gz MLHBVFNKKDZOGT-UHFFFAOYSA-N 0 0 437.993 3.970 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000012620283 523567640 /nfs/dbraw/zinc/56/76/40/523567640.db2.gz PQSAOLFQQCVEIG-UHFFFAOYSA-N 0 0 441.534 3.640 50 0 IHAARN COc1ccc(C(=O)CCC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1 ZINC000011838696 523577339 /nfs/dbraw/zinc/57/73/39/523577339.db2.gz QMPCQMCJSBMWEC-HXUWFJFHSA-N 0 0 434.467 3.979 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1OC ZINC000012608018 523743071 /nfs/dbraw/zinc/74/30/71/523743071.db2.gz XMSPKCFJMJELGD-UHFFFAOYSA-N 0 0 440.418 3.820 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000012417928 523748572 /nfs/dbraw/zinc/74/85/72/523748572.db2.gz XNLNCDIQUVREBK-ZIAGYGMSSA-N 0 0 432.904 3.859 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)cc2)cc1 ZINC000041158120 523752996 /nfs/dbraw/zinc/75/29/96/523752996.db2.gz YHZCCSUNFQEQMI-MRXNPFEDSA-N 0 0 438.505 3.924 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1Br ZINC000012404248 523757326 /nfs/dbraw/zinc/75/73/26/523757326.db2.gz QZYFAMZMHXYRSN-MRXNPFEDSA-N 0 0 433.302 3.619 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 ZINC000013944244 523766771 /nfs/dbraw/zinc/76/67/71/523766771.db2.gz FIDUFXDWFRWTRE-ZDUSSCGKSA-N 0 0 428.901 3.973 50 0 IHAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403241 523798728 /nfs/dbraw/zinc/79/87/28/523798728.db2.gz LBMUYHUDVCTJNR-OAQYLSRUSA-N 0 0 425.504 3.537 50 0 IHAARN COCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678215 523808817 /nfs/dbraw/zinc/80/88/17/523808817.db2.gz OTJWWXHCOMEFMJ-XMMPIXPASA-N 0 0 427.545 3.838 50 0 IHAARN CC[C@H](C)C(=O)C(=O)N1CCC([C@@H](Cc2cccc(OC)c2)N(C)C(=O)CC(C)C)CC1 ZINC000012167488 523821924 /nfs/dbraw/zinc/82/19/24/523821924.db2.gz KALJWKGLFLLJNZ-WMZHIEFXSA-N 0 0 444.616 3.965 50 0 IHAARN COc1ccc(C)cc1NC(=O)N1CCN(CC(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000021888615 523832163 /nfs/dbraw/zinc/83/21/63/523832163.db2.gz SZHILSUSOAWFJI-UHFFFAOYSA-N 0 0 434.540 3.836 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCCn1cnc2cc(C(=O)N3CCCCC3)ccc21 ZINC000021714249 523832516 /nfs/dbraw/zinc/83/25/16/523832516.db2.gz LQRXKRKEFJUMRI-UHFFFAOYSA-N 0 0 435.528 3.801 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 ZINC000032996047 523833286 /nfs/dbraw/zinc/83/32/86/523833286.db2.gz OIRVZKPGVWUXGM-UHFFFAOYSA-N 0 0 435.509 3.765 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)nc(CC)n23)s1 ZINC000020384334 523845917 /nfs/dbraw/zinc/84/59/17/523845917.db2.gz POLOTGZUXFNMQK-UHFFFAOYSA-N 0 0 442.972 3.848 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)cc1 ZINC000012882942 523857264 /nfs/dbraw/zinc/85/72/64/523857264.db2.gz OHLPMTGLXVKIKL-UHFFFAOYSA-N 0 0 427.551 3.947 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000022066132 523857676 /nfs/dbraw/zinc/85/76/76/523857676.db2.gz YEEBWCONIJNSMW-AWEZNQCLSA-N 0 0 445.566 3.687 50 0 IHAARN COc1ccc(C2=N/C(=C\c3coc4ccccc4c3=O)C(=O)O2)cc1Br ZINC000020616123 523873756 /nfs/dbraw/zinc/87/37/56/523873756.db2.gz ZGNDAPVNZTYVPB-DHDCSXOGSA-N 0 0 426.222 3.909 50 0 biogenic IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 ZINC000012849795 523884640 /nfs/dbraw/zinc/88/46/40/523884640.db2.gz XEFMATUEOYHSME-PWSUYJOCSA-N 0 0 433.887 3.646 50 0 IHAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000035405785 523914881 /nfs/dbraw/zinc/91/48/81/523914881.db2.gz RVTVCLMJLPUPFW-OAQYLSRUSA-N 0 0 431.945 3.534 50 0 IHAARN CCc1ccc(CNC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000020563304 523938138 /nfs/dbraw/zinc/93/81/38/523938138.db2.gz QZCNQASWFGZGQD-SFHVURJKSA-N 0 0 429.524 3.639 50 0 IHAARN CC[C@H](C)N1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021866457 523947826 /nfs/dbraw/zinc/94/78/26/523947826.db2.gz UAKCJZTYHZPSKA-LFPIHBKWSA-N 0 0 442.535 3.811 50 0 IHAARN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000012182931 523950952 /nfs/dbraw/zinc/95/09/52/523950952.db2.gz WDSBQLUTXWMFEG-OAQYLSRUSA-N 0 0 436.581 3.717 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1 ZINC000021974670 523955763 /nfs/dbraw/zinc/95/57/63/523955763.db2.gz FEFKKFPXVLSUQI-UHFFFAOYSA-N 0 0 429.524 3.931 50 0 IHAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1 ZINC000020578651 523964848 /nfs/dbraw/zinc/96/48/48/523964848.db2.gz CYIMRTRIZMSCCV-HNNXBMFYSA-N 0 0 436.493 3.602 50 0 IHAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000016608777 523967922 /nfs/dbraw/zinc/96/79/22/523967922.db2.gz UGFJYBFFWDYECM-HXUWFJFHSA-N 0 0 445.585 3.530 50 0 IHAARN CN(C)C(=O)CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012443087 523973732 /nfs/dbraw/zinc/97/37/32/523973732.db2.gz RTNAXEFYUKCGCC-LJQANCHMSA-N 0 0 425.504 3.538 50 0 IHAARN CN(C)C(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012765299 523993044 /nfs/dbraw/zinc/99/30/44/523993044.db2.gz DHIXJHMYZZTNIR-UHFFFAOYSA-N 0 0 447.926 3.618 50 0 IHAARN COc1ccc(CN(C)C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1OC ZINC000012885174 523995458 /nfs/dbraw/zinc/99/54/58/523995458.db2.gz UKQXUOGLQHXKDA-UHFFFAOYSA-N 0 0 426.542 3.558 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(OC)c(OC)c2)s1 ZINC000012361712 524012830 /nfs/dbraw/zinc/01/28/30/524012830.db2.gz BNNDTHUKDLUZIF-OAQYLSRUSA-N 0 0 432.567 3.923 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000020476875 524023717 /nfs/dbraw/zinc/02/37/17/524023717.db2.gz LCTSVGJYFANFHC-RMKNXTFCSA-N 0 0 446.551 3.532 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000035530738 524045285 /nfs/dbraw/zinc/04/52/85/524045285.db2.gz GZCYUNKEJDGZPF-UHFFFAOYSA-N 0 0 430.932 3.673 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000035531489 524045374 /nfs/dbraw/zinc/04/53/74/524045374.db2.gz JPFSHUBGXOFJRR-UHFFFAOYSA-N 0 0 444.597 3.728 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)c(OC)c1 ZINC000015074655 524048142 /nfs/dbraw/zinc/04/81/42/524048142.db2.gz NQXWCAHQQJLKCG-QGZVFWFLSA-N 0 0 430.570 3.643 50 0 IHAARN COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390997 524053868 /nfs/dbraw/zinc/05/38/68/524053868.db2.gz YOGYPJJBTSDZPB-SFHVURJKSA-N 0 0 436.961 3.598 50 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Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O ZINC000023109033 524284843 /nfs/dbraw/zinc/28/48/43/524284843.db2.gz SSFLHBCVHZRROB-UHFFFAOYSA-N 0 0 449.536 3.969 50 0 IHAARN COc1ccccc1-n1ccn2c(SCC(=O)c3c(C)[nH]c4ccccc43)nnc2c1=O ZINC000035447906 524306094 /nfs/dbraw/zinc/30/60/94/524306094.db2.gz NRTZCWPAQTVXGE-UHFFFAOYSA-N 0 0 445.504 3.654 50 0 IHAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c(CC(=O)NCc2ccccc2)nc2ccccc21 ZINC000012535465 524319893 /nfs/dbraw/zinc/31/98/93/524319893.db2.gz NLLIYCOPPYZEHP-QFIPXVFZSA-N 0 0 443.547 3.952 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2C)CC3)c(C)c1 ZINC000020614760 524320414 /nfs/dbraw/zinc/32/04/14/524320414.db2.gz IIGYBHQZANDLTO-UHFFFAOYSA-N 0 0 442.581 3.574 50 0 IHAARN COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2cccs2)cc1 ZINC000016695130 524358822 /nfs/dbraw/zinc/35/88/22/524358822.db2.gz VRFMGBNDMSUNRD-MRXNPFEDSA-N 0 0 442.562 3.930 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)C2CCC2)o1 ZINC000035809357 524415301 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524675807 /nfs/dbraw/zinc/67/58/07/524675807.db2.gz NAPJSQOHRZGFGO-OAQYLSRUSA-N 0 0 446.551 3.872 50 0 IHAARN COc1ccc(NCC(=O)Nc2cccc(I)c2)cc1OC(F)F ZINC000012553011 524677721 /nfs/dbraw/zinc/67/77/21/524677721.db2.gz FHKNTTUQAJSZEB-UHFFFAOYSA-N 0 0 448.207 3.952 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccccc3OC)c2)cc1 ZINC000015432950 524697620 /nfs/dbraw/zinc/69/76/20/524697620.db2.gz MHCCCMNNDKZGOB-UHFFFAOYSA-N 0 0 442.493 3.522 50 0 IHAARN Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1C ZINC000012926293 524715718 /nfs/dbraw/zinc/71/57/18/524715718.db2.gz SDANXVFIGZPAIY-UHFFFAOYSA-N 0 0 440.931 3.730 50 0 IHAARN C[C@@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2C1 ZINC000035684633 524734910 /nfs/dbraw/zinc/73/49/10/524734910.db2.gz QOKNRYODRLZSJR-CRPZLVSXSA-N 0 0 430.595 3.631 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)c1cn(C)c2c1[nH]c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000016837831 524756820 /nfs/dbraw/zinc/75/68/20/524756820.db2.gz MDGPLMRAIZTIET-UHFFFAOYSA-N 0 0 443.290 3.885 50 0 IHAARN Cc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccccc2C)CC3)c1 ZINC000034757834 524787797 /nfs/dbraw/zinc/78/77/97/524787797.db2.gz HTUWMFWQEBZBEU-UHFFFAOYSA-N 0 0 444.535 3.921 50 0 IHAARN COc1ccc(OC)c(C(=O)NCCc2nnc(SCc3cccc(Cl)c3)n2C)c1 ZINC000012099334 524806972 /nfs/dbraw/zinc/80/69/72/524806972.db2.gz DRYCOIABSDQRLK-UHFFFAOYSA-N 0 0 446.960 3.751 50 0 IHAARN COc1ccccc1[C@H]1CN(CC(=O)N[C@@H](C)Cc2cccnc2)Cc2ccccc2O1 ZINC000012159190 524816214 /nfs/dbraw/zinc/81/62/14/524816214.db2.gz YGEIJQILLAQVCE-UQBPGWFLSA-N 0 0 431.536 3.773 50 0 IHAARN COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015390743 524853190 /nfs/dbraw/zinc/85/31/90/524853190.db2.gz VCEZQAPRFPVBIH-KRWDZBQOSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccc(OC)c(NC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000033125839 524859646 /nfs/dbraw/zinc/85/96/46/524859646.db2.gz SRGRVRKEQOZQGJ-UHFFFAOYSA-N 0 0 432.565 3.970 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532926 524859999 /nfs/dbraw/zinc/85/99/99/524859999.db2.gz YTYLKEXZDWRTEC-UHFFFAOYSA-N 0 0 435.575 3.818 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000035672016 524866493 /nfs/dbraw/zinc/86/64/93/524866493.db2.gz GJRFZDKSBZHHCE-UHFFFAOYSA-N 0 0 437.427 3.755 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1N1CCOCC1 ZINC000012549088 524886724 /nfs/dbraw/zinc/88/67/24/524886724.db2.gz RVCUERCUEFBAQH-UHFFFAOYSA-N 0 0 446.429 3.989 50 0 IHAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000012361746 524920709 /nfs/dbraw/zinc/92/07/09/524920709.db2.gz GUYSEPGUTUZBNP-QHCPKHFHSA-N 0 0 442.537 3.616 50 0 IHAARN Cc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)cnc12 ZINC000022615476 524924494 /nfs/dbraw/zinc/92/44/94/524924494.db2.gz OEYXQKBYQZXTOG-UHFFFAOYSA-N 0 0 425.794 3.938 50 0 IHAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3C(=O)N3CCCCC3)cnc12 ZINC000021974051 524925129 /nfs/dbraw/zinc/92/51/29/524925129.db2.gz YULQAWXCJJABCS-UHFFFAOYSA-N 0 0 432.524 3.750 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=O)Oc4ccc(Br)cc4[C@@H]3C(C)(C)C2=O)cc1 ZINC000012447773 524930040 /nfs/dbraw/zinc/93/00/40/524930040.db2.gz DJDXMIVSCGGMBJ-IRXDYDNUSA-N 0 0 428.282 3.976 50 0 IHAARN C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020607004 524947444 /nfs/dbraw/zinc/94/74/44/524947444.db2.gz QYEHOKYKQIWYTI-ZETCQYMHSA-N 0 0 425.358 3.687 50 0 IHAARN COc1ccc(OCCOC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000020866356 524962152 /nfs/dbraw/zinc/96/21/52/524962152.db2.gz WNBORWQPXJOWTR-UHFFFAOYSA-N 0 0 434.444 3.933 50 0 IHAARN C[C@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc2ccccc21 ZINC000022520547 524966100 /nfs/dbraw/zinc/96/61/00/524966100.db2.gz DORIPQSESDFUCG-INIZCTEOSA-N 0 0 432.476 3.524 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233099 524989968 /nfs/dbraw/zinc/98/99/68/524989968.db2.gz RNRCFYSHVJZXGZ-YJBOKZPZSA-N 0 0 443.532 3.597 50 0 IHAARN Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000015415154 525035251 /nfs/dbraw/zinc/03/52/51/525035251.db2.gz TXJMYFCTAVZDJS-UHFFFAOYSA-N 0 0 438.933 3.507 50 0 IHAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccccc3)C2=O)cc1 ZINC000020573833 525060696 /nfs/dbraw/zinc/06/06/96/525060696.db2.gz CDVSFCQVBUMQPG-VWLOTQADSA-N 0 0 443.528 3.913 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)cc1C ZINC000033300835 525086783 /nfs/dbraw/zinc/08/67/83/525086783.db2.gz DKBSKYYRNHBEFC-UHFFFAOYSA-N 0 0 439.570 3.682 50 0 IHAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621467 525130066 /nfs/dbraw/zinc/13/00/66/525130066.db2.gz QIWVAKXXLGRKRW-HRAATJIYSA-N 0 0 444.503 3.732 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)c(Cl)c1 ZINC000021938769 525134954 /nfs/dbraw/zinc/13/49/54/525134954.db2.gz RVOZBQAEKQLVDD-UHFFFAOYSA-N 0 0 446.960 3.679 50 0 IHAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C(=O)C(C)C)C2CC2)n1CC(C)C ZINC000036039754 525180816 /nfs/dbraw/zinc/18/08/16/525180816.db2.gz OLWUYLCCCWCPFK-UHFFFAOYSA-N 0 0 431.602 3.968 50 0 IHAARN COc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 ZINC000022471135 525198042 /nfs/dbraw/zinc/19/80/42/525198042.db2.gz KKEJFLZLDFBMFG-SIKLNZKXSA-N 0 0 447.539 3.578 50 0 IHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000035526845 525210277 /nfs/dbraw/zinc/21/02/77/525210277.db2.gz OASZLPVEHASNRP-QHCPKHFHSA-N 0 0 427.476 3.547 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccccc2OC)cc1 ZINC000015413258 525216996 /nfs/dbraw/zinc/21/69/96/525216996.db2.gz IFSVZAMFGGLUKU-XMMPIXPASA-N 0 0 432.476 3.834 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccc1Br ZINC000012639013 525232967 /nfs/dbraw/zinc/23/29/67/525232967.db2.gz FCFUKXCEVMMYSA-GOSISDBHSA-N 0 0 437.359 3.939 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012542752 525235690 /nfs/dbraw/zinc/23/56/90/525235690.db2.gz XPDVKJJTLMXOIZ-UHFFFAOYSA-N 0 0 436.533 3.935 50 0 IHAARN CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1Cl ZINC000023656786 525239820 /nfs/dbraw/zinc/23/98/20/525239820.db2.gz JWPRPLUHZNDRGU-UHFFFAOYSA-N 0 0 436.898 3.848 50 0 IHAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000012745211 525264349 /nfs/dbraw/zinc/26/43/49/525264349.db2.gz FKVGWWRMICYANX-IBGZPJMESA-N 0 0 436.537 3.670 50 0 IHAARN CS(=O)(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012796090 525277986 /nfs/dbraw/zinc/27/79/86/525277986.db2.gz PYCTYBWYVGGDNW-JOCHJYFZSA-N 0 0 426.563 3.738 50 0 IHAARN Cc1cc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)ccc1Br ZINC000015669321 525286707 /nfs/dbraw/zinc/28/67/07/525286707.db2.gz HCWRVGKHZFHEBC-UHFFFAOYSA-N 0 0 434.315 3.617 50 0 IHAARN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 ZINC000012771097 525302946 /nfs/dbraw/zinc/30/29/46/525302946.db2.gz APYQSCUMYAIFRY-GTJPDFRWSA-N 0 0 432.307 3.780 50 0 IHAARN Cc1ccccc1OCCSc1nc2ccccc2c(=O)n1CCCN1CCOCC1 ZINC000021672503 525304524 /nfs/dbraw/zinc/30/45/24/525304524.db2.gz FAEJKSJQHYCLHT-UHFFFAOYSA-N 0 0 439.581 3.598 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000020589056 525364952 /nfs/dbraw/zinc/36/49/52/525364952.db2.gz LXBBRZLOKVRJPM-UHFFFAOYSA-N 0 0 436.508 3.568 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012815663 525372017 /nfs/dbraw/zinc/37/20/17/525372017.db2.gz BOKBCNPWKGMGPN-GASCZTMLSA-N 0 0 432.508 3.611 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062019 525422758 /nfs/dbraw/zinc/42/27/58/525422758.db2.gz LHLGZKMIKQXFQX-RTWAWAEBSA-N 0 0 442.531 3.861 50 0 IHAARN Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000012683387 525423742 /nfs/dbraw/zinc/42/37/42/525423742.db2.gz CDEFTURMAFZSEA-UHFFFAOYSA-N 0 0 436.533 3.555 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)OCC(=O)N3CCc4sccc4C3)cs2)cc1 ZINC000022135801 525448565 /nfs/dbraw/zinc/44/85/65/525448565.db2.gz DLEQMOMTGXCJFG-UHFFFAOYSA-N 0 0 442.562 3.763 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 ZINC000012552735 525468429 /nfs/dbraw/zinc/46/84/29/525468429.db2.gz WFQIWGFXPDUVTM-MRXNPFEDSA-N 0 0 428.554 3.814 50 0 IHAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000020737393 525494324 /nfs/dbraw/zinc/49/43/24/525494324.db2.gz PEABIIVPQAZMGJ-LJQANCHMSA-N 0 0 434.418 3.538 50 0 IHAARN COc1ccc2c(C)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1C ZINC000012895651 525497241 /nfs/dbraw/zinc/49/72/41/525497241.db2.gz UWOXNMKBLZDLBP-UHFFFAOYSA-N 0 0 427.453 3.625 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1C ZINC000035596931 525535037 /nfs/dbraw/zinc/53/50/37/525535037.db2.gz HCIOBQZQFHDJPC-SFHVURJKSA-N 0 0 429.517 3.985 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000012892870 525548997 /nfs/dbraw/zinc/54/89/97/525548997.db2.gz NIVTTXFEXRUFIT-UHFFFAOYSA-N 0 0 444.484 3.667 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000012906670 525577213 /nfs/dbraw/zinc/57/72/13/525577213.db2.gz VDKLHNLYQYOSAX-KRWDZBQOSA-N 0 0 440.487 3.888 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc(F)cc2)CN1C ZINC000035488857 525593096 /nfs/dbraw/zinc/59/30/96/525593096.db2.gz BSHKNDBQZWNVTK-YBGOQADZSA-N 0 0 431.467 3.605 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cc1 ZINC000021702538 525598233 /nfs/dbraw/zinc/59/82/33/525598233.db2.gz XKQWAWZSIGFBQN-UHFFFAOYSA-N 0 0 448.504 3.776 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)cc1 ZINC000012532617 525611925 /nfs/dbraw/zinc/61/19/25/525611925.db2.gz ANFOQSZGNNXAIV-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000035396734 525629207 /nfs/dbraw/zinc/62/92/07/525629207.db2.gz WGSRGEPSYJLABP-UHFFFAOYSA-N 0 0 442.581 3.613 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NC(C)C)cc1 ZINC000020869188 525634668 /nfs/dbraw/zinc/63/46/68/525634668.db2.gz QVPBDWCIDHJIDT-UHFFFAOYSA-N 0 0 436.580 3.937 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccco4)nc23)cc1 ZINC000020516299 525636433 /nfs/dbraw/zinc/63/64/33/525636433.db2.gz CYCVOKMNEFWIOD-UHFFFAOYSA-N 0 0 425.495 3.685 50 0 IHAARN Cc1c(C(=O)Nc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023694216 525657611 /nfs/dbraw/zinc/65/76/11/525657611.db2.gz LQMKUQIPOSWFSC-UHFFFAOYSA-N 0 0 429.402 3.974 50 0 IHAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)cc2)n1C ZINC000012372072 525669869 /nfs/dbraw/zinc/66/98/69/525669869.db2.gz VTQSNYXYOAXVFZ-QFIPXVFZSA-N 0 0 439.581 3.964 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccccc4C)s3)cc(=O)n2o1 ZINC000041089666 525677969 /nfs/dbraw/zinc/67/79/69/525677969.db2.gz DMLGNARYBHZKHF-UHFFFAOYSA-N 0 0 428.499 3.692 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)NCc3ccc(F)cc3)C(C)C)no2)c1 ZINC000036002627 525703891 /nfs/dbraw/zinc/70/38/91/525703891.db2.gz ASNOOPIHLKYWIO-OAQYLSRUSA-N 0 0 425.460 3.560 50 0 IHAARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000024759403 525707293 /nfs/dbraw/zinc/70/72/93/525707293.db2.gz OMKCEPZROCEANY-MRXNPFEDSA-N 0 0 442.947 3.743 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786460 525716489 /nfs/dbraw/zinc/71/64/89/525716489.db2.gz UTYXFSGCSWKEMB-FQEVSTJZSA-N 0 0 442.512 3.927 50 0 IHAARN COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000020783323 525720620 /nfs/dbraw/zinc/72/06/20/525720620.db2.gz QWCOMYQCGILVBC-GOSISDBHSA-N 0 0 434.496 3.573 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1c(C[C@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000012525109 525769011 /nfs/dbraw/zinc/76/90/11/525769011.db2.gz IODIPUNZQPRJRJ-OAHLLOKOSA-N 0 0 431.945 3.614 50 0 IHAARN Cc1ccc([C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 ZINC000022328292 525770096 /nfs/dbraw/zinc/77/00/96/525770096.db2.gz FPHLXIUSFHWRIX-MGPUTAFESA-N 0 0 432.542 3.768 50 0 IHAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000033332101 525790639 /nfs/dbraw/zinc/79/06/39/525790639.db2.gz PHUQPFGPEGNDJJ-SANMLTNESA-N 0 0 445.519 3.890 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1OC ZINC000035552934 525803975 /nfs/dbraw/zinc/80/39/75/525803975.db2.gz TWBUHMGCCTWYKN-UHFFFAOYSA-N 0 0 434.496 3.594 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000020928776 525839412 /nfs/dbraw/zinc/83/94/12/525839412.db2.gz BTBMCFJDWUVYKR-UHFFFAOYSA-N 0 0 439.475 3.949 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccccc3OC)C2)c1 ZINC000035962502 525858427 /nfs/dbraw/zinc/85/84/27/525858427.db2.gz XUUNKTGUFVAIPO-NRFANRHFSA-N 0 0 447.491 3.747 50 0 IHAARN Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000012630683 525872249 /nfs/dbraw/zinc/87/22/49/525872249.db2.gz CSGYUKPSJWFUOA-UHFFFAOYSA-N 0 0 445.850 3.957 50 0 IHAARN C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1nnc(-c2ccccc2)o1 ZINC000021732024 525887555 /nfs/dbraw/zinc/88/75/55/525887555.db2.gz HMUFIDFIHHFEKG-CQSZACIVSA-N 0 0 427.482 3.572 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 ZINC000012805106 525893220 /nfs/dbraw/zinc/89/32/20/525893220.db2.gz ITOZWMHTUPXCSA-LCABBPNISA-N 0 0 438.568 3.789 50 0 IHAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021861879 525930591 /nfs/dbraw/zinc/93/05/91/525930591.db2.gz WULHZTLPNPBCHL-RUZDIDTESA-N 0 0 432.524 3.518 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(Cl)c(F)c4)no2)c3=O)cc1 ZINC000033293063 525935369 /nfs/dbraw/zinc/93/53/69/525935369.db2.gz JMOUSKGJQMXJDW-UHFFFAOYSA-N 0 0 436.834 3.781 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)cc2=O)s1 ZINC000021633270 525940671 /nfs/dbraw/zinc/94/06/71/525940671.db2.gz MFALXYNSHGAVKL-UHFFFAOYSA-N 0 0 425.510 3.940 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cc2=O)s1 ZINC000041077415 525941333 /nfs/dbraw/zinc/94/13/33/525941333.db2.gz QLHQTGYFOTUEDU-UHFFFAOYSA-N 0 0 435.461 3.624 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846720 525953763 /nfs/dbraw/zinc/95/37/63/525953763.db2.gz XUPGPHZRHBDHMT-UHFFFAOYSA-N 0 0 432.929 3.682 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN1CCOCC1)occ3-c1ccccc1 ZINC000020757581 525962801 /nfs/dbraw/zinc/96/28/01/525962801.db2.gz WIOULACFMGDPOG-UHFFFAOYSA-N 0 0 446.503 3.506 50 0 biogenic IHAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cccc(N4CCCC4=O)c2)O3)n1 ZINC000012510297 525983890 /nfs/dbraw/zinc/98/38/90/525983890.db2.gz LRESWRPCUCORSH-QFIPXVFZSA-N 0 0 442.519 3.621 50 0 IHAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccc(N4CCCC4=O)c2)O3)n1 ZINC000012510288 525983904 /nfs/dbraw/zinc/98/39/04/525983904.db2.gz LRESWRPCUCORSH-JOCHJYFZSA-N 0 0 442.519 3.621 50 0 IHAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)cc1 ZINC000021533232 525984790 /nfs/dbraw/zinc/98/47/90/525984790.db2.gz MEGDKOKRBSTILI-QGZVFWFLSA-N 0 0 425.558 3.532 50 0 IHAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cc(F)ccc1F ZINC000021603415 526003509 /nfs/dbraw/zinc/00/35/09/526003509.db2.gz MTDQSJDMOVHKFI-NSHDSACASA-N 0 0 427.436 3.919 50 0 IHAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O ZINC000012600945 526008634 /nfs/dbraw/zinc/00/86/34/526008634.db2.gz ZHDKBVFURPBVHU-OCCSQVGLSA-N 0 0 447.630 3.727 50 0 IHAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012915068 526052625 /nfs/dbraw/zinc/05/26/25/526052625.db2.gz VBESFNXKBGPPER-KRWDZBQOSA-N 0 0 444.572 3.935 50 0 IHAARN C[C@H](C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1 ZINC000020996716 526074692 /nfs/dbraw/zinc/07/46/92/526074692.db2.gz BBNBBRSUFKJKII-NVXWUHKLSA-N 0 0 434.458 3.513 50 0 IHAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000012655827 526078768 /nfs/dbraw/zinc/07/87/68/526078768.db2.gz FIOUEZUYVXQUQS-JCMHNJIXSA-N 0 0 440.455 3.563 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2c1 ZINC000033256186 526112879 /nfs/dbraw/zinc/11/28/79/526112879.db2.gz MWVVGLHTXRFOMI-UHFFFAOYSA-N 0 0 446.599 3.832 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4onc(C)c4C)ccc3C)CC2)c1 ZINC000020580490 526155239 /nfs/dbraw/zinc/15/52/39/526155239.db2.gz RMODMIQMXJNRHK-UHFFFAOYSA-N 0 0 441.553 3.786 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cncn1-c1ccccc1 ZINC000012507502 526168787 /nfs/dbraw/zinc/16/87/87/526168787.db2.gz OOEJVMAYPAKACQ-UHFFFAOYSA-N 0 0 427.302 3.654 50 0 IHAARN Cc1ccc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)cc1 ZINC000033312913 526181576 /nfs/dbraw/zinc/18/15/76/526181576.db2.gz QDCYSWJWHMJNNC-LJQANCHMSA-N 0 0 426.582 3.705 50 0 IHAARN COc1cccc(NC(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)c1 ZINC000012621131 526182038 /nfs/dbraw/zinc/18/20/38/526182038.db2.gz LVCNGZMILCHWPX-UHFFFAOYSA-N 0 0 449.894 3.512 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000022298663 526182124 /nfs/dbraw/zinc/18/21/24/526182124.db2.gz GHFGEPHVCAIRPP-PBHICJAKSA-N 0 0 438.528 3.767 50 0 IHAARN COc1cccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1OC ZINC000022506397 526193683 /nfs/dbraw/zinc/19/36/83/526193683.db2.gz UOYXNBZOBBRBDJ-UHFFFAOYSA-N 0 0 425.894 3.541 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)c(C)n2n1 ZINC000036761074 526217883 /nfs/dbraw/zinc/21/78/83/526217883.db2.gz PTWLRRHUMSTECK-UHFFFAOYSA-N 0 0 438.479 3.729 50 0 IHAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)CN(C)S(=O)(=O)c3cccs3)n2c1 ZINC000021836273 526242065 /nfs/dbraw/zinc/24/20/65/526242065.db2.gz NRVKRPCBSOPSMM-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000012800069 526246987 /nfs/dbraw/zinc/24/69/87/526246987.db2.gz FMWNMVHFQWGGAR-SFHVURJKSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000021556525 526295957 /nfs/dbraw/zinc/29/59/57/526295957.db2.gz OCVHUWFLCSXLJC-UHFFFAOYSA-N 0 0 430.980 3.658 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000012901648 526305210 /nfs/dbraw/zinc/30/52/10/526305210.db2.gz GICMMEQGYUUVNX-UHFFFAOYSA-N 0 0 434.508 3.557 50 0 IHAARN O=C(NCCN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1)c1ccsc1 ZINC000042383329 526312560 /nfs/dbraw/zinc/31/25/60/526312560.db2.gz FAHGFHNFFWSFLS-UHFFFAOYSA-N 0 0 448.592 3.595 50 0 IHAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020733170 526315831 /nfs/dbraw/zinc/31/58/31/526315831.db2.gz GDIOIESIJHLVFH-QHCPKHFHSA-N 0 0 427.508 3.963 50 0 IHAARN O=C(NCCNC(=O)C1CCC1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000035989083 526326698 /nfs/dbraw/zinc/32/66/98/526326698.db2.gz GGVIGKUHPCFJNT-UHFFFAOYSA-N 0 0 436.459 3.752 50 0 IHAARN O=C(NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1)Nc1ccc(F)c(F)c1 ZINC000035595046 526331082 /nfs/dbraw/zinc/33/10/82/526331082.db2.gz KOVPRPAINYDRPY-UHFFFAOYSA-N 0 0 430.455 3.645 50 0 IHAARN Cc1nnc(SCCNC(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)s1 ZINC000012209249 526384393 /nfs/dbraw/zinc/38/43/93/526384393.db2.gz SGTLXQHOYBSDCY-UHFFFAOYSA-N 0 0 444.460 3.954 50 0 IHAARN O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc(Br)cc1F ZINC000009450169 526425431 /nfs/dbraw/zinc/42/54/31/526425431.db2.gz OSECVDBBURHIDD-UHFFFAOYSA-N 0 0 433.281 3.892 50 0 IHAARN O=C(NCCc1ccccc1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071290 526426002 /nfs/dbraw/zinc/42/60/02/526426002.db2.gz MZCPWRYPWSTSTQ-INIZCTEOSA-N 0 0 427.346 3.901 50 0 IHAARN O=C(NCCc1ccccc1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034811570 526427132 /nfs/dbraw/zinc/42/71/32/526427132.db2.gz OAPHYLMWXPFXKB-UHFFFAOYSA-N 0 0 443.334 3.818 50 0 IHAARN O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)c1cccc(F)c1 ZINC000021714085 526453869 /nfs/dbraw/zinc/45/38/69/526453869.db2.gz FCYTULPZGXAZAI-LJQANCHMSA-N 0 0 441.553 3.823 50 0 IHAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017156804 526454535 /nfs/dbraw/zinc/45/45/35/526454535.db2.gz DMDDZZIORSAFFW-UHFFFAOYSA-N 0 0 443.912 3.532 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc(=O)n12 ZINC000021632821 526455629 /nfs/dbraw/zinc/45/56/29/526455629.db2.gz WWXFMMOSXVDSKQ-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000009668489 526537069 /nfs/dbraw/zinc/53/70/69/526537069.db2.gz NJXWLYQFSJPISU-UHFFFAOYSA-N 0 0 428.554 3.693 50 0 IHAARN O=C(CCSc1nnc(COc2ccc(Cl)cc2)o1)NC(=O)NCc1ccccc1 ZINC000012894891 526545298 /nfs/dbraw/zinc/54/52/98/526545298.db2.gz GJAGYNMGSGZNPO-UHFFFAOYSA-N 0 0 446.916 3.810 50 0 IHAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000021215882 526579991 /nfs/dbraw/zinc/57/99/91/526579991.db2.gz KRDMSXDNEZOXEI-GOSISDBHSA-N 0 0 426.314 3.967 50 0 IHAARN O=C(CCc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012756705 526589316 /nfs/dbraw/zinc/58/93/16/526589316.db2.gz DWZJVMGURGUTGD-UHFFFAOYSA-N 0 0 428.895 3.806 50 0 IHAARN O=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000021786080 526596936 /nfs/dbraw/zinc/59/69/36/526596936.db2.gz ASBIKGQVPMHGLR-HNNXBMFYSA-N 0 0 436.942 3.886 50 0 IHAARN O=C(c1cc(Br)ccc1-n1cnnn1)N1CCC(Cc2ccccc2)CC1 ZINC000012323282 526600113 /nfs/dbraw/zinc/60/01/13/526600113.db2.gz GZPVEGRFISQOAL-UHFFFAOYSA-N 0 0 426.318 3.520 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000012122684 526599996 /nfs/dbraw/zinc/59/99/96/526599996.db2.gz IOIKQPMRZRYQIR-SFHVURJKSA-N 0 0 437.883 3.578 50 0 IHAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCCC[C@H]1c1ccccn1 ZINC000012448773 526604044 /nfs/dbraw/zinc/60/40/44/526604044.db2.gz RYCIXSWJWXMUOJ-QFIPXVFZSA-N 0 0 430.468 3.597 50 0 IHAARN Cc1nc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cs1 ZINC000014419636 526627070 /nfs/dbraw/zinc/62/70/70/526627070.db2.gz RUVWBYRBASQGOI-BQYQJAHWSA-N 0 0 447.626 3.540 50 0 IHAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605180 526640697 /nfs/dbraw/zinc/64/06/97/526640697.db2.gz WKPQNUJNNBJKFM-UHFFFAOYSA-N 0 0 431.517 3.875 50 0 IHAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012871877 526650234 /nfs/dbraw/zinc/65/02/34/526650234.db2.gz QXVKYTVWZXSQLX-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=C(CCc1nc(CSc2nnc(-c3ccncc3)o2)no1)Nc1cc(F)cc(F)c1 ZINC000021721894 526651522 /nfs/dbraw/zinc/65/15/22/526651522.db2.gz PWGHMEVYGPMXKS-UHFFFAOYSA-N 0 0 444.423 3.656 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012808175 526653229 /nfs/dbraw/zinc/65/32/29/526653229.db2.gz AYKQMJOXSYHIHM-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCCCn1c(=O)[nH]c2ccccc21 ZINC000012270407 526657812 /nfs/dbraw/zinc/65/78/12/526657812.db2.gz DFLGSHNDWXQCSE-UHFFFAOYSA-N 0 0 427.407 3.829 50 0 IHAARN O=C(c1ccc(Br)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000032983192 526663388 /nfs/dbraw/zinc/66/33/88/526663388.db2.gz NXVOOADWAGOXOU-LBPRGKRZSA-N 0 0 448.342 3.569 50 0 IHAARN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020493664 526669112 /nfs/dbraw/zinc/66/91/12/526669112.db2.gz DXBQIIJRTIFIBO-UHFFFAOYSA-N 0 0 431.458 3.790 50 0 IHAARN O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012697380 526679734 /nfs/dbraw/zinc/67/97/34/526679734.db2.gz BYARHOVDSGDBOA-UHFFFAOYSA-N 0 0 438.915 3.587 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021599995 526682754 /nfs/dbraw/zinc/68/27/54/526682754.db2.gz ZLGRBRUERYOVOB-KSJZQUJJSA-N 0 0 449.595 3.637 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccc1OC(F)F ZINC000012790694 526685527 /nfs/dbraw/zinc/68/55/27/526685527.db2.gz LRFGEIPAICHAIO-UHFFFAOYSA-N 0 0 433.480 3.645 50 0 IHAARN Cc1noc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)c12 ZINC000020945054 526688073 /nfs/dbraw/zinc/68/80/73/526688073.db2.gz AVVXSEHRVZOUTO-NSHDSACASA-N 0 0 434.269 3.683 50 0 IHAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CC1)Nc1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000036046085 526698213 /nfs/dbraw/zinc/69/82/13/526698213.db2.gz PTEZCNSMYDVLAM-JOCHJYFZSA-N 0 0 444.535 3.895 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000036041213 526698787 /nfs/dbraw/zinc/69/87/87/526698787.db2.gz NBAFNJDPFBSSHX-FGZHOGPDSA-N 0 0 428.488 3.588 50 0 IHAARN O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000012821940 526704106 /nfs/dbraw/zinc/70/41/06/526704106.db2.gz NUWXTGATYPIQFE-UHFFFAOYSA-N 0 0 430.476 3.519 50 0 IHAARN O=C(NCc1cccc(Br)c1)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000035430507 526709044 /nfs/dbraw/zinc/70/90/44/526709044.db2.gz DSNAWXJNMYMAIX-UHFFFAOYSA-N 0 0 432.343 3.717 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015977020 526712026 /nfs/dbraw/zinc/71/20/26/526712026.db2.gz YBQPBOLFVNSXFV-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1)N1CCN(c2ccccc2)CC1 ZINC000021886375 526712208 /nfs/dbraw/zinc/71/22/08/526712208.db2.gz JYBFQFGSCKBDAZ-UHFFFAOYSA-N 0 0 441.940 3.530 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000023846024 526712718 /nfs/dbraw/zinc/71/27/18/526712718.db2.gz DTAXOKGCQQDBGA-LJQANCHMSA-N 0 0 429.517 3.738 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260095 526732459 /nfs/dbraw/zinc/73/24/59/526732459.db2.gz VNIVEZOBMBOEKN-UHFFFAOYSA-N 0 0 446.942 3.978 50 0 IHAARN Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000015944402 526743152 /nfs/dbraw/zinc/74/31/52/526743152.db2.gz MWHRWWDGXGKCSG-PMERELPUSA-N 0 0 446.912 3.597 50 0 IHAARN O=C(NCc1cccnc1-n1ccnc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000040063332 526771946 /nfs/dbraw/zinc/77/19/46/526771946.db2.gz MFLZYKWALMKZCL-NRFANRHFSA-N 0 0 439.519 3.589 50 0 IHAARN O=C(CN1CCN(Cc2ccsc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000022785211 526775924 /nfs/dbraw/zinc/77/59/24/526775924.db2.gz NSIKFLNGMGEUEE-UHFFFAOYSA-N 0 0 440.638 3.882 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022037799 526776087 /nfs/dbraw/zinc/77/60/87/526776087.db2.gz TZCDCVSYYWQNQD-UHFFFAOYSA-N 0 0 445.519 3.964 50 0 IHAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000022057607 526782361 /nfs/dbraw/zinc/78/23/61/526782361.db2.gz TWBPPZGUTRAKRO-UHFFFAOYSA-N 0 0 445.567 3.996 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000022374044 526783172 /nfs/dbraw/zinc/78/31/72/526783172.db2.gz XXMSAPBEVYRXGV-UHFFFAOYSA-N 0 0 430.480 3.555 50 0 IHAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cnc2sccn2c1=O ZINC000014504784 526804167 /nfs/dbraw/zinc/80/41/67/526804167.db2.gz GJMKOSHWKIEXEY-UHFFFAOYSA-N 0 0 441.516 3.598 50 0 IHAARN O=C(CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)Nc1ccccc1C(F)(F)F ZINC000022406660 526821292 /nfs/dbraw/zinc/82/12/92/526821292.db2.gz NKKKVMDSAJSFIT-HXUWFJFHSA-N 0 0 431.458 3.693 50 0 IHAARN O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)Nc1cccnc1 ZINC000035476015 526825975 /nfs/dbraw/zinc/82/59/75/526825975.db2.gz NPKHDKQVQDBQQM-UHFFFAOYSA-N 0 0 444.310 3.659 50 0 IHAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3cccc4ccccc43)co2)CC1 ZINC000022852837 526831378 /nfs/dbraw/zinc/83/13/78/526831378.db2.gz HWFJMEAWBVAXSM-UHFFFAOYSA-N 0 0 444.487 3.923 50 0 IHAARN O=C(c1cccs1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035990675 526837853 /nfs/dbraw/zinc/83/78/53/526837853.db2.gz ORLUKXYVFOEISG-UHFFFAOYSA-N 0 0 430.537 3.717 50 0 IHAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000012296954 526838503 /nfs/dbraw/zinc/83/85/03/526838503.db2.gz UFWYLBFWNFCDKM-UHFFFAOYSA-N 0 0 449.942 3.729 50 0 biogenic IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000012526829 526850337 /nfs/dbraw/zinc/85/03/37/526850337.db2.gz UJMOMZHIHYMZCO-UHFFFAOYSA-N 0 0 439.899 3.809 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2 ZINC000035586185 526850648 /nfs/dbraw/zinc/85/06/48/526850648.db2.gz RGUDKWWJMQORLY-UHFFFAOYSA-N 0 0 430.917 3.704 50 0 IHAARN O=C(c1ccsc1)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020996932 526861190 /nfs/dbraw/zinc/86/11/90/526861190.db2.gz CHZDWMBOBWAJDE-KURNWNDPSA-N 0 0 449.620 3.848 50 0 IHAARN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)Nc2cccc3ncccc32)CC1 ZINC000252430754 526863749 /nfs/dbraw/zinc/86/37/49/526863749.db2.gz ICSDWVUKHOKHCH-KESTWPANSA-N 0 0 444.535 3.526 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccccc4C)CC3)c2c1C ZINC000012561764 526892527 /nfs/dbraw/zinc/89/25/27/526892527.db2.gz XHJDAQYRJWVYOF-UHFFFAOYSA-N 0 0 437.613 3.775 50 0 IHAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 ZINC000013113256 526897674 /nfs/dbraw/zinc/89/76/74/526897674.db2.gz LJMWVPKHWUUMMA-UHFFFAOYSA-N 0 0 433.489 3.843 50 0 IHAARN Cc1nc(COc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)cs1 ZINC000020938083 526905441 /nfs/dbraw/zinc/90/54/41/526905441.db2.gz VFLGOUULZKXLPL-UHFFFAOYSA-N 0 0 429.586 3.795 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000021480301 526916338 /nfs/dbraw/zinc/91/63/38/526916338.db2.gz QMRJXWKIKVNYRW-UHFFFAOYSA-N 0 0 437.473 3.936 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012793828 526948144 /nfs/dbraw/zinc/94/81/44/526948144.db2.gz LCSMKNPMUIALSG-OAQYLSRUSA-N 0 0 440.503 3.745 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012757023 526952163 /nfs/dbraw/zinc/95/21/63/526952163.db2.gz LSFURNKILJREGG-UHFFFAOYSA-N 0 0 447.322 3.767 50 0 IHAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 ZINC000033268517 526953846 /nfs/dbraw/zinc/95/38/46/526953846.db2.gz CTVRVXLEBVCTLK-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016750680 526954238 /nfs/dbraw/zinc/95/42/38/526954238.db2.gz ZXMULIJOKIBURX-HNNXBMFYSA-N 0 0 446.327 3.727 50 0 IHAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1 ZINC000021915717 526986564 /nfs/dbraw/zinc/98/65/64/526986564.db2.gz HRRVAXJZUFSCFB-UHFFFAOYSA-N 0 0 441.491 3.526 50 0 IHAARN Cc1nc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1I ZINC000017101066 526995512 /nfs/dbraw/zinc/99/55/12/526995512.db2.gz PIDLSPLRBFBKSX-UHFFFAOYSA-N 0 0 437.262 3.868 50 0 IHAARN Cn1c(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc2ccccc21 ZINC000021789719 527019460 /nfs/dbraw/zinc/01/94/60/527019460.db2.gz VDOKOYZDBJLUJG-UHFFFAOYSA-N 0 0 433.537 3.669 50 0 IHAARN Cn1c(CCc2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc2)nc2ccccc21 ZINC000021882985 527050051 /nfs/dbraw/zinc/05/00/51/527050051.db2.gz UYKNHXQGNWKWNF-UHFFFAOYSA-N 0 0 440.503 3.723 50 0 IHAARN NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000012541984 527056547 /nfs/dbraw/zinc/05/65/47/527056547.db2.gz ATRFIKZSRGHSMT-UHFFFAOYSA-N 0 0 447.866 3.859 50 0 IHAARN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C(F)(F)F)nc2ccccc21 ZINC000012740965 527066674 /nfs/dbraw/zinc/06/66/74/527066674.db2.gz NECHETUEZRZIIN-NSHDSACASA-N 0 0 442.488 3.511 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC1CCCC1 ZINC000012583938 527067308 /nfs/dbraw/zinc/06/73/08/527067308.db2.gz SYCQYXMYIUQDMR-UHFFFAOYSA-N 0 0 429.567 3.739 50 0 IHAARN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cc2ccccc2o1 ZINC000001122749 527080434 /nfs/dbraw/zinc/08/04/34/527080434.db2.gz NNWKQLTXMSTIAV-UHFFFAOYSA-N 0 0 433.537 3.669 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012773682 527082530 /nfs/dbraw/zinc/08/25/30/527082530.db2.gz NBNQKDINQCYIJR-UHFFFAOYSA-N 0 0 434.424 3.849 50 0 IHAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000012870032 527084080 /nfs/dbraw/zinc/08/40/80/527084080.db2.gz IUTMXAMKFLCQOP-QVKFZJNVSA-N 0 0 435.307 3.517 50 0 IHAARN O=C(CSc1nnc(NC2CC2)s1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000013006847 527086404 /nfs/dbraw/zinc/08/64/04/527086404.db2.gz WCQVKJMOMYRLSK-UHFFFAOYSA-N 0 0 446.598 3.604 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)c1ccco1 ZINC000020522092 527088033 /nfs/dbraw/zinc/08/80/33/527088033.db2.gz SBQZSGKSNUNZQB-JOCHJYFZSA-N 0 0 441.409 3.800 50 0 IHAARN NC(=O)c1ccccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915308 527090855 /nfs/dbraw/zinc/09/08/55/527090855.db2.gz WGCPGROJJHTDIU-UHFFFAOYSA-N 0 0 428.492 3.875 50 0 IHAARN Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1)CCN(Cc1ccccc1)C2 ZINC000035455962 527095346 /nfs/dbraw/zinc/09/53/46/527095346.db2.gz WDGKEXZXEVPMFU-UHFFFAOYSA-N 0 0 430.552 3.872 50 0 IHAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000021846593 527114351 /nfs/dbraw/zinc/11/43/51/527114351.db2.gz SNKOTITXAZFXBI-UHFFFAOYSA-N 0 0 429.885 3.568 50 0 IHAARN Cc1nc2ccc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)cc2nc1C ZINC000021630890 527136555 /nfs/dbraw/zinc/13/65/55/527136555.db2.gz LNKWHBMSNQQZIP-UHFFFAOYSA-N 0 0 430.464 3.718 50 0 IHAARN Cc1nc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000022500402 527141508 /nfs/dbraw/zinc/14/15/08/527141508.db2.gz WYVCRMIFFKTQPA-UHFFFAOYSA-N 0 0 446.894 3.716 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccnc1N1CCCC1 ZINC000022225829 527177594 /nfs/dbraw/zinc/17/75/94/527177594.db2.gz KWBFKVHMRQVLSZ-UHFFFAOYSA-N 0 0 448.976 3.762 50 0 IHAARN O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012375158 527181785 /nfs/dbraw/zinc/18/17/85/527181785.db2.gz IHYXJBXCWJLHNY-QGZVFWFLSA-N 0 0 427.501 3.700 50 0 IHAARN O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(c2ccccc2Cl)CC1 ZINC000035592793 527208589 /nfs/dbraw/zinc/20/85/89/527208589.db2.gz NKEGJKVSXYHTDG-UHFFFAOYSA-N 0 0 439.899 3.658 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(Cl)cc1 ZINC000020614909 527220315 /nfs/dbraw/zinc/22/03/15/527220315.db2.gz WKVOVMZELBIDGX-UHFFFAOYSA-N 0 0 436.921 3.771 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccccc1C(F)(F)F ZINC000014390808 527230049 /nfs/dbraw/zinc/23/00/49/527230049.db2.gz XURYTPAPLGZFKE-UHFFFAOYSA-N 0 0 435.446 3.631 50 0 IHAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000012638859 527259197 /nfs/dbraw/zinc/25/91/97/527259197.db2.gz YHCXHVRHDZBFRC-UHFFFAOYSA-N 0 0 432.505 3.678 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000001113637 527276773 /nfs/dbraw/zinc/27/67/73/527276773.db2.gz OFCDWRYKIDJIDX-UHFFFAOYSA-N 0 0 448.523 3.947 50 0 IHAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccnc1)CC2)c1ccccc1Cl ZINC000012297929 527278333 /nfs/dbraw/zinc/27/83/33/527278333.db2.gz IBGVQXXQGWKPRL-UHFFFAOYSA-N 0 0 427.913 3.734 50 0 IHAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021316669 527282774 /nfs/dbraw/zinc/28/27/74/527282774.db2.gz XBWKGISLIYFOPA-UHFFFAOYSA-N 0 0 449.292 3.979 50 0 IHAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc(Br)c(Br)s1 ZINC000032988879 527282722 /nfs/dbraw/zinc/28/27/22/527282722.db2.gz NOJSTDGNBAEMLO-UHFFFAOYSA-N 0 0 432.093 3.856 50 0 IHAARN O=S1(=O)CCN(C[C@H]2CCCO2)c2c(Oc3ccccc3F)nc(F)c(Cl)c21 ZINC000024615064 527307556 /nfs/dbraw/zinc/30/75/56/527307556.db2.gz FOKSRAMWFDUACF-LLVKDONJSA-N 0 0 430.860 3.578 50 0 IHAARN O=S1(=O)CC[C@H](N(Cc2ccccc2)Cn2nc(-c3ccccc3F)oc2=S)C1 ZINC000012889593 527311862 /nfs/dbraw/zinc/31/18/62/527311862.db2.gz JQWMPCOFEKRBTE-INIZCTEOSA-N 0 0 433.530 3.658 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000986521 527312135 /nfs/dbraw/zinc/31/21/35/527312135.db2.gz WIYQVMCGNIRVRV-UHFFFAOYSA-N 0 0 427.551 3.655 50 0 IHAARN O=C(Cc1cn2ccsc2n1)N1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000012434082 527320824 /nfs/dbraw/zinc/32/08/24/527320824.db2.gz OFUHLHSLWHKAFC-QGZVFWFLSA-N 0 0 432.549 3.760 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000021142422 527336606 /nfs/dbraw/zinc/33/66/06/527336606.db2.gz ZMLXIPLWYOINTP-UHFFFAOYSA-N 0 0 426.523 3.765 50 0 IHAARN O=C(Nc1cccc(F)c1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 ZINC000012437548 527351275 /nfs/dbraw/zinc/35/12/75/527351275.db2.gz LTAZNQUPQVDQJA-LVWGJNHUSA-N 0 0 437.452 3.618 50 0 IHAARN O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995160 527396816 /nfs/dbraw/zinc/39/68/16/527396816.db2.gz BGFDPSAWVYYBHE-NRFANRHFSA-N 0 0 431.517 3.763 50 0 IHAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCCCOCc1ccccc1 ZINC000012733977 527406370 /nfs/dbraw/zinc/40/63/70/527406370.db2.gz INAZNTMHRSXOCI-UHFFFAOYSA-N 0 0 433.533 3.848 50 0 IHAARN O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC1CCCCC1 ZINC000022767950 527415330 /nfs/dbraw/zinc/41/53/30/527415330.db2.gz WFYAVRXVPFFKMX-UHFFFAOYSA-N 0 0 425.920 3.562 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NCc1ccco1 ZINC000023139371 527418338 /nfs/dbraw/zinc/41/83/38/527418338.db2.gz HPWCLMZXXPNDLB-UHFFFAOYSA-N 0 0 434.880 3.584 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NCc1ccccc1 ZINC000035596864 527418558 /nfs/dbraw/zinc/41/85/58/527418558.db2.gz BIESPAGTGKOSCK-UHFFFAOYSA-N 0 0 431.521 3.680 50 0 IHAARN O=c1[nH]c(CNc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc2ccsc21 ZINC000012507934 527438356 /nfs/dbraw/zinc/43/83/56/527438356.db2.gz VLVGHTNCBFFROD-UHFFFAOYSA-N 0 0 430.486 3.537 50 0 IHAARN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012755948 527438993 /nfs/dbraw/zinc/43/89/93/527438993.db2.gz YDUXEQYXFAIADE-UHFFFAOYSA-N 0 0 432.299 3.897 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 ZINC000012577417 527465259 /nfs/dbraw/zinc/46/52/59/527465259.db2.gz HCCBRLPBHBUACP-MRXNPFEDSA-N 0 0 435.240 3.683 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000012747172 527494311 /nfs/dbraw/zinc/49/43/11/527494311.db2.gz IKXWVLVVYYTSOA-UHFFFAOYSA-N 0 0 438.471 3.951 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170253 527511340 /nfs/dbraw/zinc/51/13/40/527511340.db2.gz GKHSZPXJKZQUPX-LBPRGKRZSA-N 0 0 446.019 3.919 50 0 IHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012826829 527511733 /nfs/dbraw/zinc/51/17/33/527511733.db2.gz IUIDCNCYDYAZKN-KRWDZBQOSA-N 0 0 436.512 3.905 50 0 IHAARN O=C(NC1CCCCC1)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000035527418 527513949 /nfs/dbraw/zinc/51/39/49/527513949.db2.gz WVSIEXXWLQQJQI-UHFFFAOYSA-N 0 0 436.535 3.720 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCc1ccccc1Cl ZINC000035482472 527519543 /nfs/dbraw/zinc/51/95/43/527519543.db2.gz WJRFERMBBQSUKN-UHFFFAOYSA-N 0 0 438.963 3.782 50 0 IHAARN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012811781 527522688 /nfs/dbraw/zinc/52/26/88/527522688.db2.gz CISQGDWSSJFHQN-UHFFFAOYSA-N 0 0 447.514 3.926 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1)c1ccco1 ZINC000020984448 527536155 /nfs/dbraw/zinc/53/61/55/527536155.db2.gz ICTIMRVPSGTQEF-UHFFFAOYSA-N 0 0 445.551 3.624 50 0 IHAARN Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc2c1=O ZINC000001125613 527536794 /nfs/dbraw/zinc/53/67/94/527536794.db2.gz JOSMWOUOFSOOEQ-UHFFFAOYSA-N 0 0 440.503 3.689 50 0 IHAARN Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@@H]2c1ccco1 ZINC000035597881 527555904 /nfs/dbraw/zinc/55/59/04/527555904.db2.gz LRCOPOORNBDOCM-CQSZACIVSA-N 0 0 428.876 3.937 50 0 IHAARN O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000022635788 527644887 /nfs/dbraw/zinc/64/48/87/527644887.db2.gz TUOWDDADBJNZCK-SNAWJCMRSA-N 0 0 431.366 3.601 50 0 IHAARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012680491 527650857 /nfs/dbraw/zinc/65/08/57/527650857.db2.gz LSMWLZMMEGGEQG-ZHACJKMWSA-N 0 0 443.576 3.899 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(C)cc1 ZINC000021881981 527654193 /nfs/dbraw/zinc/65/41/93/527654193.db2.gz CUEKBUMPLPNUKL-UHFFFAOYSA-N 0 0 444.601 3.547 50 0 IHAARN Cn1nnnc1-c1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)c1 ZINC000021561543 527654668 /nfs/dbraw/zinc/65/46/68/527654668.db2.gz NMCDHWMIEVLEIN-UHFFFAOYSA-N 0 0 447.808 3.987 50 0 IHAARN O=C(/C=C\c1ccc(Br)o1)OCc1nc2ccc(Cl)cc2n1CCO ZINC000033497064 527655053 /nfs/dbraw/zinc/65/50/53/527655053.db2.gz JWAXXSBVKSWOBX-UTCJRWHESA-N 0 0 425.666 3.794 50 0 IHAARN FC(F)(F)Oc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000001087844 527675773 /nfs/dbraw/zinc/67/57/73/527675773.db2.gz NRADJCONGQXGKN-UHFFFAOYSA-N 0 0 446.433 3.963 50 0 IHAARN Cc1nn(CC(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)c(=O)c2ccccc12 ZINC000011718358 527701664 /nfs/dbraw/zinc/70/16/64/527701664.db2.gz RUYXJMXBQLNJTF-QFIPXVFZSA-N 0 0 439.515 3.980 50 0 IHAARN CCCCCn1nc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc2c1=O ZINC000009353337 535161487 /nfs/dbraw/zinc/16/14/87/535161487.db2.gz DKBOXTPNBFBJRG-UHFFFAOYSA-N 0 0 446.551 3.752 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000013040033 535421387 /nfs/dbraw/zinc/42/13/87/535421387.db2.gz HOQQIGGFHSBOPM-UHFFFAOYSA-N 0 0 436.537 3.839 50 0 IHAARN CCc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708846 536190428 /nfs/dbraw/zinc/19/04/28/536190428.db2.gz LMFCEVUPORTJSZ-UHFFFAOYSA-N 0 0 436.516 3.775 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000002209703 536734539 /nfs/dbraw/zinc/73/45/39/536734539.db2.gz LIQQGWZYCBDNCI-UHFFFAOYSA-N 0 0 439.459 3.677 50 0 IHAARN COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002639272 536781319 /nfs/dbraw/zinc/78/13/19/536781319.db2.gz UDFJJIGTXHHJIO-FQEVSTJZSA-N 0 0 443.521 3.505 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)c1 ZINC000000634503 555516423 /nfs/dbraw/zinc/51/64/23/555516423.db2.gz LCUVSTFIRXFLIX-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 IHAARN O=C(Nc1ccc(I)cc1C(=O)Nc1ccncc1)c1cccnc1 ZINC000000644222 555519782 /nfs/dbraw/zinc/51/97/82/555519782.db2.gz XQUPVLCTYREOBZ-UHFFFAOYSA-N 0 0 444.232 3.586 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(Br)c2)cc1 ZINC000000645509 555520374 /nfs/dbraw/zinc/52/03/74/555520374.db2.gz QWBXHDBRDJCQAS-SFHVURJKSA-N 0 0 440.301 3.977 50 0 IHAARN COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000000660542 555526390 /nfs/dbraw/zinc/52/63/90/555526390.db2.gz XYFCRHGYVKDBRQ-HMMYKYKNSA-N 0 0 443.459 3.810 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1c(F)cccc1F ZINC000000664612 555527675 /nfs/dbraw/zinc/52/76/75/555527675.db2.gz GNDPPFLURYFAPL-UHFFFAOYSA-N 0 0 446.475 3.503 50 0 IHAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(OC)c1OC ZINC000000672514 555531920 /nfs/dbraw/zinc/53/19/20/555531920.db2.gz SOWVRVOCMZOUNK-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000676948 555535178 /nfs/dbraw/zinc/53/51/78/555535178.db2.gz RLIOOUUUMXPHJS-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(C)cc1Br)C[C@H](C)CC2 ZINC000000682856 555538244 /nfs/dbraw/zinc/53/82/44/555538244.db2.gz YONHOYNMZWIIEB-SECBINFHSA-N 0 0 426.336 3.798 50 0 IHAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 ZINC000000703576 555544044 /nfs/dbraw/zinc/54/40/44/555544044.db2.gz GBYSHHBDZFBRMY-QFIPXVFZSA-N 0 0 439.479 3.575 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(NC(=O)COc3ccc(OC)cc3)cc2)cc1 ZINC000000704655 555544329 /nfs/dbraw/zinc/54/43/29/555544329.db2.gz BHVYTVGQTDDIRL-UHFFFAOYSA-N 0 0 436.464 3.739 50 0 IHAARN C[C@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F ZINC000009283281 555544381 /nfs/dbraw/zinc/54/43/81/555544381.db2.gz MECWFYHBBXZWEP-HNNXBMFYSA-N 0 0 446.434 3.806 50 0 IHAARN O=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCOCC1 ZINC000000716845 555548895 /nfs/dbraw/zinc/54/88/95/555548895.db2.gz XXFQETJDLXACFY-UHFFFAOYSA-N 0 0 436.533 3.555 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000721687 555550222 /nfs/dbraw/zinc/55/02/22/555550222.db2.gz AXYVJHRGKWXYKQ-JOCHJYFZSA-N 0 0 442.471 3.709 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000000723882 555550778 /nfs/dbraw/zinc/55/07/78/555550778.db2.gz ZAWAAHYJCANNGZ-HXUWFJFHSA-N 0 0 440.521 3.613 50 0 IHAARN COc1ccccc1[C@@H](CCNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000779475 555554468 /nfs/dbraw/zinc/55/44/68/555554468.db2.gz SCMWEHBRSYGKHV-IBGZPJMESA-N 0 0 425.506 3.924 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1sc2ccccc2c1Cl ZINC000000795384 555558002 /nfs/dbraw/zinc/55/80/02/555558002.db2.gz DNCLXGYDBZLQRH-UHFFFAOYSA-N 0 0 436.942 3.828 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccc(F)c1 ZINC000000815858 555562038 /nfs/dbraw/zinc/56/20/38/555562038.db2.gz GULPSNSQPAGHGP-UHFFFAOYSA-N 0 0 441.455 3.556 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccccc1F ZINC000000816156 555562917 /nfs/dbraw/zinc/56/29/17/555562917.db2.gz TYGPXZKDGNLAFX-UHFFFAOYSA-N 0 0 441.455 3.556 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000000821264 555563927 /nfs/dbraw/zinc/56/39/27/555563927.db2.gz HDHREDMPLXXOHY-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN CCCS(=O)(=O)c1c2ccccn2c(C(=O)c2ccccc2)c1S(=O)(=O)CCC ZINC000000825640 555565227 /nfs/dbraw/zinc/56/52/27/555565227.db2.gz QXSUUVTXNXJVHH-UHFFFAOYSA-N 0 0 433.551 3.538 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2Br)cc1 ZINC000000845633 555569328 /nfs/dbraw/zinc/56/93/28/555569328.db2.gz HYCVFJDWENMHKH-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000000846863 555569686 /nfs/dbraw/zinc/56/96/86/555569686.db2.gz MGVFZEKIGOBDNH-UHFFFAOYSA-N 0 0 443.477 3.868 50 0 biogenic IHAARN CCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000857998 555571720 /nfs/dbraw/zinc/57/17/20/555571720.db2.gz ONQXZIFTDHVLNB-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN COc1cc(Br)c([C@@H]2CC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000000861244 555572398 /nfs/dbraw/zinc/57/23/98/555572398.db2.gz YVONBBGAZMGYND-AWEZNQCLSA-N 0 0 438.318 3.830 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)cc1OCC ZINC000009464875 555575639 /nfs/dbraw/zinc/57/56/39/555575639.db2.gz IVAPSLLUOPEPHF-WYMLVPIESA-N 0 0 448.519 3.948 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1OC ZINC000000881486 555577429 /nfs/dbraw/zinc/57/74/29/555577429.db2.gz NMCNDMDGCNYJEV-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN Cc1c(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000000884604 555578756 /nfs/dbraw/zinc/57/87/56/555578756.db2.gz MKDBPYVBBMZOHP-QZTJIDSGSA-N 0 0 432.450 3.824 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000000893163 555579957 /nfs/dbraw/zinc/57/99/57/555579957.db2.gz KOGVMZFOQVRTKW-UHFFFAOYSA-N 0 0 444.531 3.820 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000000893167 555580011 /nfs/dbraw/zinc/58/00/11/555580011.db2.gz GSSDSHRMFZWMPW-UHFFFAOYSA-N 0 0 436.533 3.509 50 0 IHAARN O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1 ZINC000000894794 555580358 /nfs/dbraw/zinc/58/03/58/555580358.db2.gz BEYNZSTVGBTYSO-DEOSSOPVSA-N 0 0 441.531 3.902 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000000915170 555583094 /nfs/dbraw/zinc/58/30/94/555583094.db2.gz NNMXJERWDAAKOW-AREMUKBSSA-N 0 0 431.488 3.754 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000000938240 555586152 /nfs/dbraw/zinc/58/61/52/555586152.db2.gz OLIWNRXGLPCXCF-UHFFFAOYSA-N 0 0 437.612 3.828 50 0 aggregator IHAARN COc1cccc(-c2nnc(SCC(=O)NCc3cccnc3)n2-c2ccccc2)c1 ZINC000000947284 555588243 /nfs/dbraw/zinc/58/82/43/555588243.db2.gz RMKXSJDGGAULMA-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN COC(=O)c1ccc(C2C(C(=O)OC)=CN([C@H](C)c3ccccc3)C=C2C(=O)OC)cc1 ZINC000000969435 555591116 /nfs/dbraw/zinc/59/11/16/555591116.db2.gz PJQARWAZADXDGD-MRXNPFEDSA-N 0 0 435.476 3.747 50 0 IHAARN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 ZINC000000978131 555592881 /nfs/dbraw/zinc/59/28/81/555592881.db2.gz YYOBSRMDODDHNV-MRXNPFEDSA-N 0 0 430.298 3.845 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000979701 555593121 /nfs/dbraw/zinc/59/31/21/555593121.db2.gz YJILGKFWWZGKRB-UHFFFAOYSA-N 0 0 446.569 3.974 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)cc1 ZINC000000990599 555596328 /nfs/dbraw/zinc/59/63/28/555596328.db2.gz YGCVVXVCUBVXTQ-UHFFFAOYSA-N 0 0 445.427 3.544 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)c3ccc(C)cc3)n2)cc1 ZINC000000992944 555597124 /nfs/dbraw/zinc/59/71/24/555597124.db2.gz OTQKLNCXBNVGGW-UHFFFAOYSA-N 0 0 431.444 3.778 50 0 IHAARN Cn1c2nc(Sc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000001034557 555607356 /nfs/dbraw/zinc/60/73/56/555607356.db2.gz FZJJSMGXQYZWTK-UHFFFAOYSA-N 0 0 447.347 3.940 50 0 IHAARN CCOC(=O)CSc1nc2nc(N(CC)CC)ncc2c(Nc2ccc(OC)cc2)n1 ZINC000001036527 555608362 /nfs/dbraw/zinc/60/83/62/555608362.db2.gz FXQSQJPCPPGFIR-UHFFFAOYSA-N 0 0 442.545 3.673 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001043329 555610180 /nfs/dbraw/zinc/61/01/80/555610180.db2.gz DHFPSLQKIAEQLV-QGZVFWFLSA-N 0 0 427.309 3.537 50 0 IHAARN O=S(=O)(c1nc(-c2ccccc2)oc1N1CCOCC1)c1ccc(Br)cc1 ZINC000001052757 555613647 /nfs/dbraw/zinc/61/36/47/555613647.db2.gz JTXFKXWXYCDWOH-UHFFFAOYSA-N 0 0 449.326 3.774 50 0 IHAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O ZINC000001072284 555621873 /nfs/dbraw/zinc/62/18/73/555621873.db2.gz SXYIICSESDMKEX-CQSZACIVSA-N 0 0 434.277 3.845 50 0 IHAARN O=C(Nc1ccc(I)cc1C(=O)NCc1ccco1)c1ccco1 ZINC000001110887 555631384 /nfs/dbraw/zinc/63/13/84/555631384.db2.gz ABENTCNHGWRCNP-UHFFFAOYSA-N 0 0 436.205 3.660 50 0 IHAARN COc1ccccc1N(C[C@H](O)COc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000001111277 555631809 /nfs/dbraw/zinc/63/18/09/555631809.db2.gz 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ZINC000001132634 555645461 /nfs/dbraw/zinc/64/54/61/555645461.db2.gz XZIHKJZKWYMORM-CYBMUJFWSA-N 0 0 449.292 3.953 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000001136501 555647168 /nfs/dbraw/zinc/64/71/68/555647168.db2.gz YFKSZEMZNXXTLL-UHFFFAOYSA-N 0 0 429.361 3.938 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000001137353 555647767 /nfs/dbraw/zinc/64/77/67/555647767.db2.gz XQUDNNKAVMQFPK-UHFFFAOYSA-N 0 0 425.348 3.707 50 0 IHAARN O=C(c1ccccc1O)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000001151676 555656676 /nfs/dbraw/zinc/65/66/76/555656676.db2.gz OZSPHFKKXSTPKD-MRXNPFEDSA-N 0 0 429.192 3.656 50 0 IHAARN COc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001153520 555657505 /nfs/dbraw/zinc/65/75/05/555657505.db2.gz MIOOETRIXCUKPF-DLBZAZTESA-N 0 0 427.309 3.614 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000001155099 555658410 /nfs/dbraw/zinc/65/84/10/555658410.db2.gz MQZQZMPFHFJBEC-UHFFFAOYSA-N 0 0 436.892 3.579 50 0 IHAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NC1CCCC1 ZINC000001160754 555661507 /nfs/dbraw/zinc/66/15/07/555661507.db2.gz RWYIGNNGKIPKSV-UHFFFAOYSA-N 0 0 443.407 3.831 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000001162644 555662720 /nfs/dbraw/zinc/66/27/20/555662720.db2.gz MEIKOIGRUFAASE-UHFFFAOYSA-N 0 0 427.975 3.902 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000001167540 555664972 /nfs/dbraw/zinc/66/49/72/555664972.db2.gz SVSYYZLFVCNHFC-ZDUSSCGKSA-N 0 0 426.922 3.541 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000001167575 555665059 /nfs/dbraw/zinc/66/50/59/555665059.db2.gz KZTLYZHDUHHGPP-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc(Br)c1O ZINC000001170940 555666458 /nfs/dbraw/zinc/66/64/58/555666458.db2.gz ONBLJPMYJKPZAU-BJOHPYRUSA-N 0 0 427.295 3.523 50 0 IHAARN COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2C1=O 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433.493 3.565 50 0 IHAARN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000001428369 555696271 /nfs/dbraw/zinc/69/62/71/555696271.db2.gz UHZWAPLTYOXFIT-OMPVVWJNSA-N 0 0 438.593 3.934 50 0 IHAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)c1 ZINC000001442528 555698180 /nfs/dbraw/zinc/69/81/80/555698180.db2.gz BONZTRAAIKUFAA-OAQYLSRUSA-N 0 0 446.532 3.621 50 0 IHAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1C ZINC000001811876 555718095 /nfs/dbraw/zinc/71/80/95/555718095.db2.gz VCISLUWDKGAICQ-BKUYFWCQSA-N 0 0 443.532 3.649 50 0 IHAARN CCCCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 ZINC000001903579 555723571 /nfs/dbraw/zinc/72/35/71/555723571.db2.gz SRNDCYVUIKOJDO-GOSISDBHSA-N 0 0 434.521 3.727 50 0 IHAARN CCOCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCOCC ZINC000002053594 555729585 /nfs/dbraw/zinc/72/95/85/555729585.db2.gz MLMKGXHQCGKGLY-SNDHGLFQSA-N 0 0 438.520 3.669 50 0 IHAARN COc1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000002067632 555733900 /nfs/dbraw/zinc/73/39/00/555733900.db2.gz LNEDIUFANOOVFW-UHFFFAOYSA-N 0 0 428.554 3.897 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002188662 555755896 /nfs/dbraw/zinc/75/58/96/555755896.db2.gz YEJRAHWZXXKOQR-SFHVURJKSA-N 0 0 434.945 3.682 50 0 aggregator,biogenic IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S ZINC000002230801 555760265 /nfs/dbraw/zinc/76/02/65/555760265.db2.gz ZFPIAMIUSLPFTJ-LJQANCHMSA-N 0 0 445.972 3.738 50 0 IHAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NC(=O)COc1cccc(C)c1 ZINC000002233387 555760588 /nfs/dbraw/zinc/76/05/88/555760588.db2.gz BLTVNJAQGBFDPX-UHFFFAOYSA-N 0 0 429.476 3.935 50 0 IHAARN Cc1cccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc32)c1 ZINC000002299324 555766542 /nfs/dbraw/zinc/76/65/42/555766542.db2.gz OWBAVEVZISICKR-UHFFFAOYSA-N 0 0 448.548 3.928 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2Cl)c1 ZINC000002325444 555768940 /nfs/dbraw/zinc/76/89/40/555768940.db2.gz ADMBSTHGQDPLIL-PWRODBHTSA-N 0 0 439.943 3.929 50 0 IHAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000002385443 555774678 /nfs/dbraw/zinc/77/46/78/555774678.db2.gz CTIJZMZSSHGNSF-UHFFFAOYSA-N 0 0 431.583 3.939 50 0 IHAARN CCOCCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc21 ZINC000002389186 555774870 /nfs/dbraw/zinc/77/48/70/555774870.db2.gz HRGKFVNIIPPGQU-UHFFFAOYSA-N 0 0 433.512 3.629 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2nc3c(cc2c1=O)CCCC3 ZINC000002397813 555775850 /nfs/dbraw/zinc/77/58/50/555775850.db2.gz PNRHTNSMLZUVQQ-UHFFFAOYSA-N 0 0 436.537 3.624 50 0 IHAARN COc1ccc(CCNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000002425416 555778028 /nfs/dbraw/zinc/77/80/28/555778028.db2.gz DROSYOUWXRYOBD-UHFFFAOYSA-N 0 0 438.549 3.888 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679167 555798390 /nfs/dbraw/zinc/79/83/90/555798390.db2.gz WSWTZIMDUJZNCG-UHFFFAOYSA-N 0 0 425.964 3.919 50 0 IHAARN COc1ccc(CN2CCO[C@H](CN(CC(C)C)C(=O)c3cccc(F)c3)C2)c(OC)c1 ZINC000034691289 555803749 /nfs/dbraw/zinc/80/37/49/555803749.db2.gz LNVCQLUDGYBJKG-QHCPKHFHSA-N 0 0 444.547 3.842 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000002731374 555804723 /nfs/dbraw/zinc/80/47/23/555804723.db2.gz AMTCGLMOOZTAAN-UHFFFAOYSA-N 0 0 435.483 3.810 50 0 IHAARN COCCn1c(=O)c2c(ncn2[C@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693810 555808219 /nfs/dbraw/zinc/80/82/19/555808219.db2.gz HLMPKGRWUVVJHN-GOSISDBHSA-N 0 0 432.524 3.728 50 0 IHAARN CC(C)CCn1c(=O)c2c(ncn2CC(=O)C(C)(C)C)n(-c2ccc(Cl)cc2)c1=O ZINC000034694515 555809530 /nfs/dbraw/zinc/80/95/30/555809530.db2.gz YFCBVPQICCCHCS-UHFFFAOYSA-N 0 0 430.936 3.664 50 0 IHAARN CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I ZINC000002757962 555811831 /nfs/dbraw/zinc/81/18/31/555811831.db2.gz VVNRVVBIBBZNGU-INIZCTEOSA-N 0 0 442.297 3.995 50 0 IHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3cccnc3)C[C@@H](c3ccccc3)C2)cc1 ZINC000034709552 555823845 /nfs/dbraw/zinc/82/38/45/555823845.db2.gz XGJMDAXCSWFLIG-DHIUTWEWSA-N 0 0 429.520 3.653 50 0 IHAARN COCCNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713759 555828170 /nfs/dbraw/zinc/82/81/70/555828170.db2.gz HNUIGDMUMZIHBG-RUZDIDTESA-N 0 0 448.519 3.517 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000002836653 555833159 /nfs/dbraw/zinc/83/31/59/555833159.db2.gz OULDSWORPHXENQ-UHFFFAOYSA-N 0 0 425.348 3.579 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002837066 555833756 /nfs/dbraw/zinc/83/37/56/555833756.db2.gz WPTLGCFWEQVENV-UHFFFAOYSA-N 0 0 432.933 3.984 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCN(C(=O)c4cccs4)[C@@H](C)C3)n12 ZINC000034700051 555836924 /nfs/dbraw/zinc/83/69/24/555836924.db2.gz QVKNXUDCJQDZLI-LBPRGKRZSA-N 0 0 426.933 3.652 50 0 IHAARN CN(CCCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 ZINC000002863085 555845791 /nfs/dbraw/zinc/84/57/91/555845791.db2.gz CNSJOTMNLBJXTM-UHFFFAOYSA-N 0 0 429.311 3.628 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)C1CCC1 ZINC000034700472 555849355 /nfs/dbraw/zinc/84/93/55/555849355.db2.gz RSHUPGKEFWSVHC-GOSISDBHSA-N 0 0 440.551 3.706 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002870584 555849384 /nfs/dbraw/zinc/84/93/84/555849384.db2.gz HCMAZHZZAUZOQH-JOCHJYFZSA-N 0 0 447.457 3.767 50 0 IHAARN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1C ZINC000002871275 555849709 /nfs/dbraw/zinc/84/97/09/555849709.db2.gz PZEUMUPTQJCSGX-UHFFFAOYSA-N 0 0 433.291 3.999 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002873759 555851164 /nfs/dbraw/zinc/85/11/64/555851164.db2.gz STIYFXSFMUZVIL-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000002887473 555858793 /nfs/dbraw/zinc/85/87/93/555858793.db2.gz PEQWVEIPQDRHLJ-UHFFFAOYSA-N 0 0 444.475 3.966 50 0 IHAARN CCOc1ccccc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002936281 555864526 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COc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002993264 555875766 /nfs/dbraw/zinc/87/57/66/555875766.db2.gz JIDGZEZJTKUVFV-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)c1 ZINC000002998943 555877312 /nfs/dbraw/zinc/87/73/12/555877312.db2.gz IAOJPHSVJVSQPO-UHFFFAOYSA-N 0 0 434.242 3.834 50 0 IHAARN CC1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)Cc2ccc(F)cc2)CC3)CC1 ZINC000034756190 555901416 /nfs/dbraw/zinc/90/14/16/555901416.db2.gz AYWLMLAXEGPNBW-UHFFFAOYSA-N 0 0 437.563 3.580 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCN(C)CC2)cc1 ZINC000003238881 555906826 /nfs/dbraw/zinc/90/68/26/555906826.db2.gz IJZRJYXXPNUMQH-UHFFFAOYSA-N 0 0 431.945 3.888 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1OC ZINC000003267141 555911351 /nfs/dbraw/zinc/91/13/51/555911351.db2.gz CHEDIGMARJNVQD-UHFFFAOYSA-N 0 0 436.537 3.659 50 0 IHAARN CC(C)(C)c1cc2nc(C(=O)N3CCC4(CC3)OCCO4)cc(-c3cccc(F)c3)n2n1 ZINC000034832618 555912932 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COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 ZINC000009933955 556317224 /nfs/dbraw/zinc/31/72/24/556317224.db2.gz LYNRTTQXBQVVOT-NRFANRHFSA-N 0 0 433.464 3.963 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)cc1 ZINC000009934031 556317594 /nfs/dbraw/zinc/31/75/94/556317594.db2.gz XSSDHBVTAHEYBO-HXUWFJFHSA-N 0 0 437.496 3.746 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@@H]4C)CC3)CC2=O)cc1 ZINC000013844549 556318405 /nfs/dbraw/zinc/31/84/05/556318405.db2.gz AAPLBBOJDUSCMX-UGKGYDQZSA-N 0 0 445.563 3.564 50 0 IHAARN CCOc1ccc2nc(NC(=O)CCC(=O)OCC(=O)c3cccc(OC)c3)sc2c1 ZINC000013857238 556321440 /nfs/dbraw/zinc/32/14/40/556321440.db2.gz SQMQBIVEWQVYDM-UHFFFAOYSA-N 0 0 442.493 3.848 50 0 IHAARN O=C(COc1ccccc1)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013858116 556321665 /nfs/dbraw/zinc/32/16/65/556321665.db2.gz GPWVWNIADVMXCT-UHFFFAOYSA-N 0 0 425.488 3.827 50 0 IHAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(OC)c(OC)c4)c3)nn12 ZINC000010010226 556322124 /nfs/dbraw/zinc/32/21/24/556322124.db2.gz ORUOGHQCPZRCRN-UHFFFAOYSA-N 0 0 439.497 3.693 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ncc(-c2ccc3c(c2)OCO3)n1C ZINC000013880496 556325995 /nfs/dbraw/zinc/32/59/95/556325995.db2.gz VJUIOBAPQWFKMV-QGZVFWFLSA-N 0 0 448.523 3.672 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccoc3)sc2=N1 ZINC000013881938 556326351 /nfs/dbraw/zinc/32/63/51/556326351.db2.gz BBBDYXPIASBCAD-VOMPUTFMSA-N 0 0 447.541 3.528 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccoc3)sc2=N1 ZINC000013881939 556326624 /nfs/dbraw/zinc/32/66/24/556326624.db2.gz BBBDYXPIASBCAD-YWFITGJYSA-N 0 0 447.541 3.528 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000032776953 556326871 /nfs/dbraw/zinc/32/68/71/556326871.db2.gz MOZZAILXTVEFQQ-IRXDYDNUSA-N 0 0 435.567 3.580 50 0 IHAARN CC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013898412 556330516 /nfs/dbraw/zinc/33/05/16/556330516.db2.gz POOBYNKTFXIJKV-UHFFFAOYSA-N 0 0 438.952 3.929 50 0 IHAARN COC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000032765634 556332897 /nfs/dbraw/zinc/33/28/97/556332897.db2.gz GQHUADFCBHQIKG-UHFFFAOYSA-N 0 0 431.514 3.538 50 0 IHAARN O=C(CCSc1nc2ccccc2s1)NCc1ccccc1CN1CCOCC1 ZINC000032768855 556333452 /nfs/dbraw/zinc/33/34/52/556333452.db2.gz IOLKYLVTNNLQPT-UHFFFAOYSA-N 0 0 427.595 3.927 50 0 IHAARN CC(C)(C(=O)N1CCN(Cn2nc(C3CC3)n(C3CC3)c2=S)CC1)c1ccccc1 ZINC000032770248 556334491 /nfs/dbraw/zinc/33/44/91/556334491.db2.gz WFLLHGXYDATUSY-UHFFFAOYSA-N 0 0 425.602 3.706 50 0 IHAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 ZINC000013944458 556341581 /nfs/dbraw/zinc/34/15/81/556341581.db2.gz QNNCJXCSRINCQE-AWEZNQCLSA-N 0 0 440.550 3.798 50 0 IHAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011661167 556343144 /nfs/dbraw/zinc/34/31/44/556343144.db2.gz LXLSYBQANVZKSJ-SFHVURJKSA-N 0 0 436.512 3.522 50 0 IHAARN CC(C)Cn1c(CN(C)CC[C@H]2CCCCO2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000011664871 556345721 /nfs/dbraw/zinc/34/57/21/556345721.db2.gz RZPYUBXWJJCEBN-JOCHJYFZSA-N 0 0 433.618 3.904 50 0 IHAARN CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccccc1C(=O)OC ZINC000032780973 556346367 /nfs/dbraw/zinc/34/63/67/556346367.db2.gz OFWXPUTTZFYNPK-IBGZPJMESA-N 0 0 428.510 3.681 50 0 IHAARN CC(C)(C)c1ccc(OCn2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)n2)cc1 ZINC000013960033 556347015 /nfs/dbraw/zinc/34/70/15/556347015.db2.gz YJRVJCNVCJLEMZ-FQEVSTJZSA-N 0 0 442.413 3.638 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(CC(C)C)nc(C)n3)C2)cc1OC ZINC000011715969 556348392 /nfs/dbraw/zinc/34/83/92/556348392.db2.gz ATMLQFMZOQNGHA-GOSISDBHSA-N 0 0 425.529 3.736 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 ZINC000011782977 556351350 /nfs/dbraw/zinc/35/13/50/556351350.db2.gz UXTWHOISLFYLGE-AMGIVPHBSA-N 0 0 444.531 3.768 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000032778443 556351398 /nfs/dbraw/zinc/35/13/98/556351398.db2.gz LJFDVZIKNLNVRM-CQSZACIVSA-N 0 0 432.509 3.893 50 0 IHAARN CC(=O)Nc1cccc(Nc2nnc(SCCN3C(=O)c4ccccc4C3=O)s2)c1 ZINC000032778990 556352242 /nfs/dbraw/zinc/35/22/42/556352242.db2.gz ZNUZNLPDSUWRRQ-UHFFFAOYSA-N 0 0 439.522 3.628 50 0 IHAARN COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(Cl)cc1 ZINC000011784645 556352832 /nfs/dbraw/zinc/35/28/32/556352832.db2.gz WNFHJMPSHBMXOR-XLIONFOSSA-N 0 0 444.988 3.714 50 0 IHAARN COC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000011788041 556354108 /nfs/dbraw/zinc/35/41/08/556354108.db2.gz UNYLTXSCLNMVQM-CUNXSJBXSA-N 0 0 448.563 3.610 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 ZINC000014016084 556355550 /nfs/dbraw/zinc/35/55/50/556355550.db2.gz QIJJWKHAGHPVSG-UHFFFAOYSA-N 0 0 437.349 3.541 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 ZINC000014018078 556356073 /nfs/dbraw/zinc/35/60/73/556356073.db2.gz JTOXVVPJEBLRKF-MYYSRTQBSA-N 0 0 433.533 3.862 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000014020506 556356722 /nfs/dbraw/zinc/35/67/22/556356722.db2.gz KSHBFIUKKPMABL-AWEZNQCLSA-N 0 0 432.592 3.848 50 0 IHAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000014022829 556357044 /nfs/dbraw/zinc/35/70/44/556357044.db2.gz ZHPYEBFTDDMAAI-UHFFFAOYSA-N 0 0 438.535 3.695 50 0 IHAARN COc1cc(CCC2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc(OC)c1 ZINC000032795885 556358133 /nfs/dbraw/zinc/35/81/33/556358133.db2.gz JELACIPDGQTDPD-OAQYLSRUSA-N 0 0 438.572 3.582 50 0 IHAARN COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000014069518 556360349 /nfs/dbraw/zinc/36/03/49/556360349.db2.gz QHANBAWPQRDMEJ-NSHDSACASA-N 0 0 434.319 3.553 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000014070406 556360771 /nfs/dbraw/zinc/36/07/71/556360771.db2.gz MQAFBJZQSOSANW-XMMPIXPASA-N 0 0 448.563 3.906 50 0 IHAARN Cc1[nH]c2ccc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2c1C ZINC000014070885 556361043 /nfs/dbraw/zinc/36/10/43/556361043.db2.gz AAEAVQNSFQWXLJ-UHFFFAOYSA-N 0 0 438.487 3.925 50 0 IHAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 ZINC000032796449 556361494 /nfs/dbraw/zinc/36/14/94/556361494.db2.gz XISUCGLKRSVBDG-LLVKDONJSA-N 0 0 431.901 3.959 50 0 IHAARN O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000011839364 556364094 /nfs/dbraw/zinc/36/40/94/556364094.db2.gz IPSYOGJNOVLZEC-RUZDIDTESA-N 0 0 430.504 3.824 50 0 IHAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000014093659 556366164 /nfs/dbraw/zinc/36/61/64/556366164.db2.gz QWGKFMKXHPCEGO-UHFFFAOYSA-N 0 0 435.505 3.936 50 0 IHAARN COc1cccc([C@]2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000014095593 556367551 /nfs/dbraw/zinc/36/75/51/556367551.db2.gz YHAKUVUYQVOWLP-VWLOTQADSA-N 0 0 429.476 3.915 50 0 IHAARN O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000014113816 556370586 /nfs/dbraw/zinc/37/05/86/556370586.db2.gz YLTRYTDMZMHQPJ-HXUWFJFHSA-N 0 0 426.866 3.824 50 0 IHAARN O=C(CCC1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCCO2 ZINC000011878750 556371373 /nfs/dbraw/zinc/37/13/73/556371373.db2.gz KFKDKQCINZQDLY-UHFFFAOYSA-N 0 0 426.488 3.797 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cccc3cccnc32)c1 ZINC000014123825 556372902 /nfs/dbraw/zinc/37/29/02/556372902.db2.gz UXQPHEDREVLLEH-UHFFFAOYSA-N 0 0 447.944 3.936 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000014128775 556373810 /nfs/dbraw/zinc/37/38/10/556373810.db2.gz PSFOWHQLUUTPFX-DEOSSOPVSA-N 0 0 438.487 3.783 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000014129075 556374260 /nfs/dbraw/zinc/37/42/60/556374260.db2.gz QILAOEBHCLHAOR-IBGZPJMESA-N 0 0 439.943 3.635 50 0 IHAARN Cc1nc2cc(NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccc(C)cc3)ccc2o1 ZINC000014136608 556375535 /nfs/dbraw/zinc/37/55/35/556375535.db2.gz DRMOKVOQHLDDIK-UHFFFAOYSA-N 0 0 439.493 3.867 50 0 IHAARN O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(F)cc1Cl)CC2 ZINC000011913093 556375921 /nfs/dbraw/zinc/37/59/21/556375921.db2.gz RRFHDAFWHIBNDF-IBGZPJMESA-N 0 0 429.923 3.865 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccc(Br)cc1 ZINC000014141042 556376439 /nfs/dbraw/zinc/37/64/39/556376439.db2.gz DRDAKJZKDJAJSW-UHFFFAOYSA-N 0 0 425.710 3.751 50 0 IHAARN COCCn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nnc1-c1ccccc1 ZINC000014142117 556377254 /nfs/dbraw/zinc/37/72/54/556377254.db2.gz YISKWTNYZFRWGD-UHFFFAOYSA-N 0 0 436.537 3.693 50 0 IHAARN CCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000014170438 556381363 /nfs/dbraw/zinc/38/13/63/556381363.db2.gz VXKCKPNOPUHTOA-UHFFFAOYSA-N 0 0 434.290 3.728 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)[C@@H](C)n1nc(C)cc1C)C2 ZINC000011964532 556381428 /nfs/dbraw/zinc/38/14/28/556381428.db2.gz MIKPYPQTKAQQGD-QUCCMNQESA-N 0 0 447.535 3.943 50 0 IHAARN Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CCc2nc4cc(F)ccc4[nH]2)C3)n1 ZINC000011964592 556381467 /nfs/dbraw/zinc/38/14/67/556381467.db2.gz XTUDDPBBCOUJSQ-GOSISDBHSA-N 0 0 445.498 3.828 50 0 IHAARN Cc1nc(C(=O)NCc2nnc(SCc3ccncc3)n2-c2ccc(F)cc2)cs1 ZINC000011969955 556382503 /nfs/dbraw/zinc/38/25/03/556382503.db2.gz LOBXDULCLCPQQZ-UHFFFAOYSA-N 0 0 440.529 3.789 50 0 IHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C1=O ZINC000014183842 556383756 /nfs/dbraw/zinc/38/37/56/556383756.db2.gz DMRCVISHDFBNJG-AREMUKBSSA-N 0 0 427.504 3.683 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc(NC(C)=O)c2)cc1 ZINC000014184152 556384141 /nfs/dbraw/zinc/38/41/41/556384141.db2.gz ZMIWEONDINFKQL-UHFFFAOYSA-N 0 0 433.464 3.923 50 0 IHAARN COc1ncccc1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000011996323 556384232 /nfs/dbraw/zinc/38/42/32/556384232.db2.gz GECKCHASEMIRBN-HNNXBMFYSA-N 0 0 426.469 3.894 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000014184770 556384766 /nfs/dbraw/zinc/38/47/66/556384766.db2.gz FODCJVYDUCXMNW-UHFFFAOYSA-N 0 0 447.329 3.874 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2sc(C)c(C)c21 ZINC000014188059 556386702 /nfs/dbraw/zinc/38/67/02/556386702.db2.gz NXTHBJZZJIOAJF-UHFFFAOYSA-N 0 0 425.514 3.588 50 0 IHAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3nc(C)cs3)c2C2CC2)n1 ZINC000012025046 556387513 /nfs/dbraw/zinc/38/75/13/556387513.db2.gz QWGSNAPOGXROBI-UHFFFAOYSA-N 0 0 446.536 3.910 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000014196990 556388707 /nfs/dbraw/zinc/38/87/07/556388707.db2.gz IOFOQEOJTBFRQZ-INIZCTEOSA-N 0 0 428.510 3.841 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000014196989 556388796 /nfs/dbraw/zinc/38/87/96/556388796.db2.gz IOFOQEOJTBFRQZ-MRXNPFEDSA-N 0 0 428.510 3.841 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Br)cc1F ZINC000014198522 556389703 /nfs/dbraw/zinc/38/97/03/556389703.db2.gz DEIXQCFJCWXQJP-UHFFFAOYSA-N 0 0 445.235 3.732 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1C(=O)COc2ccccc21 ZINC000032809540 556394424 /nfs/dbraw/zinc/39/44/24/556394424.db2.gz VSOAQPDUORVKHG-UHFFFAOYSA-N 0 0 440.477 3.857 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000012062090 556395083 /nfs/dbraw/zinc/39/50/83/556395083.db2.gz QSCGUBZRZASQRK-GOSISDBHSA-N 0 0 434.540 3.824 50 0 IHAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O ZINC000014228405 556395794 /nfs/dbraw/zinc/39/57/94/556395794.db2.gz FCWUPQCXVLLYGK-AZUAARDMSA-N 0 0 448.592 3.550 50 0 IHAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014229871 556396681 /nfs/dbraw/zinc/39/66/81/556396681.db2.gz GCAJBKFGAKRXHY-UHFFFAOYSA-N 0 0 447.579 3.725 50 0 IHAARN O=C(Cn1nc(-c2ccccc2)oc1=O)N(CCc1cccs1)Cc1cccs1 ZINC000014231578 556397907 /nfs/dbraw/zinc/39/79/07/556397907.db2.gz XYXMQUFTKRTTAA-UHFFFAOYSA-N 0 0 425.535 3.898 50 0 IHAARN COC[C@@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccnc1)Sc1ccccc1-2 ZINC000012078815 556398266 /nfs/dbraw/zinc/39/82/66/556398266.db2.gz WHXMJEFAWXWROO-QRQCRPRQSA-N 0 0 435.549 3.695 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1C ZINC000014235729 556399113 /nfs/dbraw/zinc/39/91/13/556399113.db2.gz LQKWDJDJMYZWFJ-MCADVSAISA-N 0 0 439.600 3.715 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1oc2ccccc2c1C ZINC000014237482 556399717 /nfs/dbraw/zinc/39/97/17/556399717.db2.gz AYXGRBOGHGDEAA-QFIPXVFZSA-N 0 0 428.492 3.857 50 0 IHAARN CCOc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1S(=O)(=O)N(C)C ZINC000032814595 556400371 /nfs/dbraw/zinc/40/03/71/556400371.db2.gz USXGIBMIEULHST-HNNXBMFYSA-N 0 0 430.530 3.867 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000014241973 556402675 /nfs/dbraw/zinc/40/26/75/556402675.db2.gz XMMULBSKDFVXAE-JOCHJYFZSA-N 0 0 438.871 3.530 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)NCc3c(F)ccc(C)c3F)CCC(=O)N2)ccc1F ZINC000012184581 556402788 /nfs/dbraw/zinc/40/27/88/556402788.db2.gz WRJAXAQPVHBITQ-HSZRJFAPSA-N 0 0 434.458 3.709 50 0 IHAARN CC(C)CS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccn2)n1Cc1ccccc1 ZINC000012302499 556403340 /nfs/dbraw/zinc/40/33/40/556403340.db2.gz YSTOQIRSMGKYRO-LJQANCHMSA-N 0 0 426.586 3.949 50 0 IHAARN Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)c1 ZINC000022930336 556403995 /nfs/dbraw/zinc/40/39/95/556403995.db2.gz LCZVBKAHKVBYNO-FQEVSTJZSA-N 0 0 433.556 3.979 50 0 IHAARN Cc1nn(CC(=O)c2cccc3ccccc32)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000014245071 556404703 /nfs/dbraw/zinc/40/47/03/556404703.db2.gz HOSXVUSMQYWCAK-UHFFFAOYSA-N 0 0 437.521 3.950 50 0 IHAARN O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 ZINC000032594561 556407822 /nfs/dbraw/zinc/40/78/22/556407822.db2.gz TWGACGTXPPZFJR-IIBYNOLFSA-N 0 0 442.493 3.747 50 0 IHAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000014250346 556408473 /nfs/dbraw/zinc/40/84/73/556408473.db2.gz AZUHHELRMUPRRH-UHFFFAOYSA-N 0 0 438.372 3.570 50 0 IHAARN CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000014262776 556410889 /nfs/dbraw/zinc/41/08/89/556410889.db2.gz MOTVKVWRMRXQEM-ZDUSSCGKSA-N 0 0 430.596 3.659 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000059744970 556413382 /nfs/dbraw/zinc/41/33/82/556413382.db2.gz RVHGGEZLSNNUJZ-ZSZQSSIHSA-N 0 0 437.993 3.832 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219355159 556413557 /nfs/dbraw/zinc/41/35/57/556413557.db2.gz ONUCPSALCWFDHA-GOSISDBHSA-N 0 0 427.494 3.620 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000032674904 556415559 /nfs/dbraw/zinc/41/55/59/556415559.db2.gz OLZANBHDTGGKMP-IBGZPJMESA-N 0 0 434.583 3.715 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1I ZINC000032675838 556416032 /nfs/dbraw/zinc/41/60/32/556416032.db2.gz OITUASPYMLPJTR-UHFFFAOYSA-N 0 0 434.075 3.656 50 0 IHAARN CSCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000012947228 556417827 /nfs/dbraw/zinc/41/78/27/556417827.db2.gz MODRUWZYUYDFMC-UHFFFAOYSA-N 0 0 444.622 3.575 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1 ZINC000032833730 556417852 /nfs/dbraw/zinc/41/78/52/556417852.db2.gz HFHVXNZEZYCIFS-UHFFFAOYSA-N 0 0 427.482 3.542 50 0 IHAARN O=C(CSc1ccccc1C(=O)NCc1ccc(Cn2cccn2)cc1)N1CCCC1 ZINC000032837352 556418794 /nfs/dbraw/zinc/41/87/94/556418794.db2.gz OBBWGJMTMGUWSI-UHFFFAOYSA-N 0 0 434.565 3.576 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1 ZINC000012974348 556420307 /nfs/dbraw/zinc/42/03/07/556420307.db2.gz RZOHSQJVBYYJFK-RUZDIDTESA-N 0 0 435.499 3.706 50 0 IHAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C ZINC000012975779 556421316 /nfs/dbraw/zinc/42/13/16/556421316.db2.gz YFTSLKLURJAJOE-OAQYLSRUSA-N 0 0 432.307 3.561 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 ZINC000012979475 556423690 /nfs/dbraw/zinc/42/36/90/556423690.db2.gz RTEMNIIXDGGIKM-UHFFFAOYSA-N 0 0 441.578 3.574 50 0 IHAARN CCN(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(OC)c(F)c1 ZINC000012980735 556424178 /nfs/dbraw/zinc/42/41/78/556424178.db2.gz XPZGUJNTHSSJTN-UHFFFAOYSA-N 0 0 430.339 3.893 50 0 IHAARN CCC1(CC)C[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 ZINC000014542353 556426156 /nfs/dbraw/zinc/42/61/56/556426156.db2.gz HFZXUAVRSXNENS-YADHBBJMSA-N 0 0 427.589 3.797 50 0 IHAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CCNC(C)=O)cc4)cs3)ccc21 ZINC000012986302 556426734 /nfs/dbraw/zinc/42/67/34/556426734.db2.gz HFQFILNQYSBXRU-UHFFFAOYSA-N 0 0 434.525 3.506 50 0 IHAARN O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000032841538 556427132 /nfs/dbraw/zinc/42/71/32/556427132.db2.gz PRTANMQWJNKPIM-AWEZNQCLSA-N 0 0 429.910 3.914 50 0 IHAARN CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000012988731 556427792 /nfs/dbraw/zinc/42/77/92/556427792.db2.gz MAUQAINFRQLIOV-UHFFFAOYSA-N 0 0 443.912 3.753 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc2N1S(C)(=O)=O ZINC000012988586 556427826 /nfs/dbraw/zinc/42/78/26/556427826.db2.gz ZDTFNJZYAQWJDN-GFCCVEGCSA-N 0 0 431.514 3.912 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cs1 ZINC000032842272 556427907 /nfs/dbraw/zinc/42/79/07/556427907.db2.gz SVMXSUPQFTUAKB-UHFFFAOYSA-N 0 0 439.562 3.861 50 0 IHAARN COc1cc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc(OC)c1OC ZINC000012988893 556427886 /nfs/dbraw/zinc/42/78/86/556427886.db2.gz ZORJGTOMKCQOKJ-UHFFFAOYSA-N 0 0 439.468 3.527 50 0 IHAARN CSc1nc(C)c(CCC(=O)Nc2ccc(I)cc2)c(C)n1 ZINC000012992986 556429211 /nfs/dbraw/zinc/42/92/11/556429211.db2.gz JTHBHNHBAWCGLA-UHFFFAOYSA-N 0 0 427.311 3.991 50 0 IHAARN COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000032845149 556429258 /nfs/dbraw/zinc/42/92/58/556429258.db2.gz DANJKKQBRZGUFL-CJNGLKHVSA-N 0 0 437.949 3.853 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1NC(C)=O ZINC000012994235 556430024 /nfs/dbraw/zinc/43/00/24/556430024.db2.gz QXUQXICHLBBZSG-OAHLLOKOSA-N 0 0 445.566 3.832 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000012994944 556430238 /nfs/dbraw/zinc/43/02/38/556430238.db2.gz VWJKQXIZSFVRMJ-SFHVURJKSA-N 0 0 429.948 3.507 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)c1ccc(N)c(SC)c1 ZINC000032854456 556432403 /nfs/dbraw/zinc/43/24/03/556432403.db2.gz HNOFNSCUDZWNRJ-UHFFFAOYSA-N 0 0 436.555 3.895 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000032854662 556432625 /nfs/dbraw/zinc/43/26/25/556432625.db2.gz WWVYUKBAGMUTBI-UHFFFAOYSA-N 0 0 431.448 3.921 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1I)O[C@H](C)C2 ZINC000013000659 556432820 /nfs/dbraw/zinc/43/28/20/556432820.db2.gz MBXRBPVJXJMPGY-GFCCVEGCSA-N 0 0 437.277 3.943 50 0 IHAARN COc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000011024789 556433923 /nfs/dbraw/zinc/43/39/23/556433923.db2.gz ONXMVYFFQGEJCV-UHFFFAOYSA-N 0 0 444.267 3.580 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000229998012 556434157 /nfs/dbraw/zinc/43/41/57/556434157.db2.gz SJFZQUUYRDTERQ-CDVBAKLBSA-N 0 0 429.513 3.870 50 0 IHAARN O=C(c1ccc(-n2cccn2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013005829 556434842 /nfs/dbraw/zinc/43/48/42/556434842.db2.gz IAIRISNFLRMYOW-UHFFFAOYSA-N 0 0 435.487 3.951 50 0 IHAARN COc1ccccc1-c1noc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000013006001 556435132 /nfs/dbraw/zinc/43/51/32/556435132.db2.gz DMUKQHSGHNEXFF-UHFFFAOYSA-N 0 0 436.468 3.733 50 0 IHAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)o3)cc2C1 ZINC000013016049 556437684 /nfs/dbraw/zinc/43/76/84/556437684.db2.gz ZFZKFBRWMRIQMG-SNVBAGLBSA-N 0 0 441.538 3.823 50 0 IHAARN Cc1ccc(CSCCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000013016901 556438317 /nfs/dbraw/zinc/43/83/17/556438317.db2.gz JTTZXZMYBJGHTL-UHFFFAOYSA-N 0 0 426.563 3.707 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)N2CCOCC2)cc1 ZINC000027989861 556439660 /nfs/dbraw/zinc/43/96/60/556439660.db2.gz CUMYUCNOWAWCFR-JOCHJYFZSA-N 0 0 439.487 3.601 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000028022908 556441952 /nfs/dbraw/zinc/44/19/52/556441952.db2.gz NQVHIWOKJIQJJT-QGZVFWFLSA-N 0 0 430.480 3.981 50 0 IHAARN O=C(NC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1 ZINC000028052532 556442877 /nfs/dbraw/zinc/44/28/77/556442877.db2.gz WQAWOAKCHJWZOY-UHFFFAOYSA-N 0 0 431.316 3.716 50 0 IHAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000028087083 556443657 /nfs/dbraw/zinc/44/36/57/556443657.db2.gz PPKWMXLYRGLSGO-UHFFFAOYSA-N 0 0 425.529 3.748 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1ccc(C(=O)N2CCCC2)cc1 ZINC000028175656 556444372 /nfs/dbraw/zinc/44/43/72/556444372.db2.gz GCUHUOQJUIGRLJ-UHFFFAOYSA-N 0 0 428.872 3.617 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)N(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000013038999 556444754 /nfs/dbraw/zinc/44/47/54/556444754.db2.gz VCFAFCXMZCRUNB-UHFFFAOYSA-N 0 0 427.888 3.597 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)CC(=O)Nc1cccc(C)c1C ZINC000013056931 556448835 /nfs/dbraw/zinc/44/88/35/556448835.db2.gz ZFAFTTGIZWUFCG-UHFFFAOYSA-N 0 0 431.558 3.667 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000014869763 556451680 /nfs/dbraw/zinc/45/16/80/556451680.db2.gz CDEQDCVXYMZDIB-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000014867627 556451840 /nfs/dbraw/zinc/45/18/40/556451840.db2.gz HWIIYUMXBLBSFH-UHFFFAOYSA-N 0 0 427.853 3.872 50 0 IHAARN CC(=O)N(c1nc(COC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cs1)c1ccccc1 ZINC000013069319 556452889 /nfs/dbraw/zinc/45/28/89/556452889.db2.gz WCYLUFBEMRKKKX-MRXNPFEDSA-N 0 0 437.521 3.998 50 0 IHAARN COc1ccccc1-c1nn(CN(C)CC(=O)Nc2ccccc2Cl)c(=S)n1C ZINC000013071910 556453734 /nfs/dbraw/zinc/45/37/34/556453734.db2.gz LBOWEMUQSRCTIU-UHFFFAOYSA-N 0 0 431.949 3.808 50 0 IHAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000014881476 556453909 /nfs/dbraw/zinc/45/39/09/556453909.db2.gz OHGMMTKYISHJSI-GBXCKJPGSA-N 0 0 426.944 3.774 50 0 IHAARN COc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)cc1 ZINC000014883570 556454614 /nfs/dbraw/zinc/45/46/14/556454614.db2.gz FSOLYLBORGTVKE-OAQYLSRUSA-N 0 0 439.585 3.785 50 0 IHAARN CC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCCC3=CC[C@H]4C[C@@H]3C4(C)C)c2)s1 ZINC000014886146 556455463 /nfs/dbraw/zinc/45/54/63/556455463.db2.gz VWXSBQZLHOYIKZ-WMZOPIPTSA-N 0 0 440.569 3.898 50 0 IHAARN O=C([C@H]1CC12CCN(Cc1ccc(F)cc1F)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000014886672 556455495 /nfs/dbraw/zinc/45/54/95/556455495.db2.gz GKBRUOHAKDBCRW-HSZRJFAPSA-N 0 0 439.550 3.911 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000028639145 556457831 /nfs/dbraw/zinc/45/78/31/556457831.db2.gz RBEPBPRGTOLEJH-UHFFFAOYSA-N 0 0 425.448 3.641 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000028671484 556458496 /nfs/dbraw/zinc/45/84/96/556458496.db2.gz VYJIQIVRAICGTH-IJEWVQPXSA-N 0 0 427.526 3.577 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NCCC1=CCCCC1 ZINC000013101835 556460760 /nfs/dbraw/zinc/46/07/60/556460760.db2.gz TXGYRMFKZSMNKC-UHFFFAOYSA-N 0 0 443.960 3.861 50 0 IHAARN O=C(CSCc1cc(=O)n2cc(Cl)ccc2n1)Nc1ccc(OC(F)F)cc1 ZINC000013101842 556460814 /nfs/dbraw/zinc/46/08/14/556460814.db2.gz UVFATTHARAGYGE-UHFFFAOYSA-N 0 0 425.844 3.821 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 ZINC000028797102 556461157 /nfs/dbraw/zinc/46/11/57/556461157.db2.gz IKFRUPXBQRKNQA-SFHVURJKSA-N 0 0 446.569 3.987 50 0 IHAARN COc1ccc(CN2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)CCC2=O)cc1 ZINC000014954332 556461591 /nfs/dbraw/zinc/46/15/91/556461591.db2.gz UBCYYFGYYZTIFH-KRWDZBQOSA-N 0 0 430.932 3.685 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000013109497 556462902 /nfs/dbraw/zinc/46/29/02/556462902.db2.gz WFRWTFJOGFLXMJ-UHFFFAOYSA-N 0 0 443.551 3.864 50 0 IHAARN Cc1sc2nc(C)nc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)c2c1C ZINC000013112327 556464614 /nfs/dbraw/zinc/46/46/14/556464614.db2.gz AGZKHERRVMZTDC-UHFFFAOYSA-N 0 0 446.623 3.755 50 0 IHAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)c1C ZINC000013112665 556465539 /nfs/dbraw/zinc/46/55/39/556465539.db2.gz DPIPHRIJGVSYGA-UHFFFAOYSA-N 0 0 431.514 3.794 50 0 IHAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN(C)Cc1cnn(C)c1 ZINC000029065712 556466370 /nfs/dbraw/zinc/46/63/70/556466370.db2.gz UXIWJRSOZDCJOK-UHFFFAOYSA-N 0 0 432.933 3.659 50 0 IHAARN COc1ccccc1CCC(=O)N1C[C@@H]2C[C@H]1C(=O)N2c1cc(C)c(Cl)cc1OC ZINC000014971283 556467030 /nfs/dbraw/zinc/46/70/30/556467030.db2.gz QAMVDKFIADVOND-LPHOPBHVSA-N 0 0 428.916 3.615 50 0 IHAARN CC[C@H](Nc1ncnc2sc(C(=O)N3CCCN(C=O)CC3)c(C)c21)c1cccs1 ZINC000014971564 556467166 /nfs/dbraw/zinc/46/71/66/556467166.db2.gz YNUPDDDUDHRYAT-HNNXBMFYSA-N 0 0 443.598 3.929 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000013114767 556467365 /nfs/dbraw/zinc/46/73/65/556467365.db2.gz HGYFHUGCLDVNPU-UHFFFAOYSA-N 0 0 432.480 3.921 50 0 IHAARN COCc1c(C(=O)NCc2ccccc2F)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000014972002 556467367 /nfs/dbraw/zinc/46/73/67/556467367.db2.gz COJUTKFEUODCTI-UHFFFAOYSA-N 0 0 447.470 3.553 50 0 IHAARN COCc1c(C(=O)NCCCSC)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000014975720 556468460 /nfs/dbraw/zinc/46/84/60/556468460.db2.gz KTPMLKGCJLJDQG-UHFFFAOYSA-N 0 0 431.587 3.637 50 0 IHAARN O=C(NCCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000029193607 556469856 /nfs/dbraw/zinc/46/98/56/556469856.db2.gz ROQQLMFPLKTWCX-NRFANRHFSA-N 0 0 445.357 3.541 50 0 IHAARN O=C(c1cccs1)N1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000013117528 556470175 /nfs/dbraw/zinc/47/01/75/556470175.db2.gz MKJXAJGSPSFBNX-UHFFFAOYSA-N 0 0 436.562 3.671 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccc(Cn2cccn2)cc1 ZINC000029230099 556470263 /nfs/dbraw/zinc/47/02/63/556470263.db2.gz RFDCGEDZZKUUOO-UHFFFAOYSA-N 0 0 427.480 3.912 50 0 IHAARN Cc1c(C(=O)NCc2ccc(C)cc2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000014985636 556472301 /nfs/dbraw/zinc/47/23/01/556472301.db2.gz SFTBFSUNLCROJD-UHFFFAOYSA-N 0 0 437.569 3.663 50 0 IHAARN O=C(COc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000014991402 556475134 /nfs/dbraw/zinc/47/51/34/556475134.db2.gz JMIASHLTGHPPFE-XLIONFOSSA-N 0 0 446.469 3.565 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029474559 556476180 /nfs/dbraw/zinc/47/61/80/556476180.db2.gz MIICGUPDGWUTGW-OAHLLOKOSA-N 0 0 432.571 3.547 50 0 IHAARN O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)CCc2cccs2)C1 ZINC000014994538 556476921 /nfs/dbraw/zinc/47/69/21/556476921.db2.gz DNNFDLVFQAAKQD-KNQAVFIVSA-N 0 0 426.582 3.989 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2NC1=O ZINC000013128811 556478491 /nfs/dbraw/zinc/47/84/91/556478491.db2.gz VYLGOMIIFCYUNC-HNNXBMFYSA-N 0 0 425.448 3.906 50 0 IHAARN COc1ccc(-n2c(CNC(=O)C3(c4ccc(Cl)cc4)CC3)nnc2SC)cc1 ZINC000015007557 556482302 /nfs/dbraw/zinc/48/23/02/556482302.db2.gz FEOYZAYEFMOXMJ-UHFFFAOYSA-N 0 0 428.945 3.999 50 0 IHAARN CC(C)[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C)c1cccs1 ZINC000029788874 556482797 /nfs/dbraw/zinc/48/27/97/556482797.db2.gz OSBKWEMRUUZUNG-GMAHTHKFSA-N 0 0 425.554 3.951 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 ZINC000029793177 556482827 /nfs/dbraw/zinc/48/28/27/556482827.db2.gz FPDCHRGKHBKSGM-UHFFFAOYSA-N 0 0 437.945 3.760 50 0 IHAARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)c1 ZINC000013137232 556484082 /nfs/dbraw/zinc/48/40/82/556484082.db2.gz KSSPLPCOKHJEDK-UHFFFAOYSA-N 0 0 442.459 3.973 50 0 IHAARN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)cc(Cl)c2O1 ZINC000072289727 556484538 /nfs/dbraw/zinc/48/45/38/556484538.db2.gz QFGDPUIKEIDUSN-ZDUSSCGKSA-N 0 0 449.960 3.553 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)n1 ZINC000013141039 556485992 /nfs/dbraw/zinc/48/59/92/556485992.db2.gz MNURCIZMECKTGK-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC000013141143 556486365 /nfs/dbraw/zinc/48/63/65/556486365.db2.gz HVZJIGPMQKZWDC-UHFFFAOYSA-N 0 0 434.996 3.586 50 0 IHAARN COc1ccc(OCCN2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)cc1 ZINC000030018995 556489449 /nfs/dbraw/zinc/48/94/49/556489449.db2.gz BQNHKYAVCOLKIK-UHFFFAOYSA-N 0 0 429.567 3.717 50 0 IHAARN CC(=O)NCCCc1ccc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000013149483 556490994 /nfs/dbraw/zinc/49/09/94/556490994.db2.gz JKIHWRIFPDXJIM-UHFFFAOYSA-N 0 0 433.291 3.541 50 0 IHAARN CC(C)S(=O)(=O)c1ncc(CN(C)[C@H](C)c2nccs2)n1CCc1ccccc1 ZINC000015065796 556492726 /nfs/dbraw/zinc/49/27/26/556492726.db2.gz ZMPCGHVJUHKGBU-QGZVFWFLSA-N 0 0 432.615 3.957 50 0 IHAARN Cc1nc2ccc(NC(=O)[C@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)cc2s1 ZINC000013163543 556493969 /nfs/dbraw/zinc/49/39/69/556493969.db2.gz LSBLTNBMZNXXPQ-QGZVFWFLSA-N 0 0 440.550 3.547 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1coc2cc(OC)ccc12 ZINC000013164053 556495297 /nfs/dbraw/zinc/49/52/97/556495297.db2.gz NCVLJANKOXIJTM-UHFFFAOYSA-N 0 0 427.482 3.771 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000013164620 556496763 /nfs/dbraw/zinc/49/67/63/556496763.db2.gz HOHBDUQEQNDIOL-TVVUZDRGSA-N 0 0 429.561 3.935 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCOCC1 ZINC000013164541 556496820 /nfs/dbraw/zinc/49/68/20/556496820.db2.gz NSRIBEJYNURXGB-UHFFFAOYSA-N 0 0 436.533 3.555 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)s2)cs1 ZINC000030572456 556498354 /nfs/dbraw/zinc/49/83/54/556498354.db2.gz NQCQFMNRYAKDTF-HNNXBMFYSA-N 0 0 429.567 3.984 50 0 IHAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)C(=O)c4ccccc4)CC3)c2)s1 ZINC000015079897 556500706 /nfs/dbraw/zinc/50/07/06/556500706.db2.gz FINHVAJRAOPRBA-UHFFFAOYSA-N 0 0 434.521 3.574 50 0 IHAARN CN1C[C@@H](c2ccccc2F)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396052 556504234 /nfs/dbraw/zinc/50/42/34/556504234.db2.gz MIMUXDSTTFGLPT-AFWDCEBSSA-N 0 0 428.463 3.964 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000032879808 556504921 /nfs/dbraw/zinc/50/49/21/556504921.db2.gz NZWQPAWKMUACDJ-JTHBVZDNSA-N 0 0 435.524 3.703 50 0 IHAARN Cc1cccc(-c2nnc([C@H](C)N3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)c1 ZINC000032879622 556505125 /nfs/dbraw/zinc/50/51/25/556505125.db2.gz DWHINNYYMVIKQX-KRWDZBQOSA-N 0 0 426.542 3.549 50 0 IHAARN Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030851987 556509028 /nfs/dbraw/zinc/50/90/28/556509028.db2.gz DPLNZNPTOUJISB-OAHLLOKOSA-N 0 0 432.402 3.507 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N3CCC(c4c[nH]c5ccccc54)CC3)CC2=O)c(OC)c1 ZINC000032882676 556509104 /nfs/dbraw/zinc/50/91/04/556509104.db2.gz OWTVWNGHWVMNRQ-GOSISDBHSA-N 0 0 447.535 3.944 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000032883740 556509617 /nfs/dbraw/zinc/50/96/17/556509617.db2.gz WPYNVEWCTFHKES-QGZVFWFLSA-N 0 0 437.569 3.980 50 0 IHAARN Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000013511242 556510286 /nfs/dbraw/zinc/51/02/86/556510286.db2.gz BHYPNZOAFGVLEJ-HXUWFJFHSA-N 0 0 435.973 3.860 50 0 IHAARN C[C@@H]1CN([C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000013551431 556514957 /nfs/dbraw/zinc/51/49/57/556514957.db2.gz UDGRTVPEFKQKBT-RULNRJAQSA-N 0 0 444.584 3.984 50 0 IHAARN Cc1sc2ncn(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c(=O)c2c1C ZINC000032898759 556516859 /nfs/dbraw/zinc/51/68/59/556516859.db2.gz LBBXTQNCFGNZPR-KRWDZBQOSA-N 0 0 439.537 3.600 50 0 IHAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2F)nc2ncccc2c1=O ZINC000032893461 556521239 /nfs/dbraw/zinc/52/12/39/556521239.db2.gz LARQKWCHKVTDAV-CYBMUJFWSA-N 0 0 432.496 3.695 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc(F)cc2)CN1C ZINC000013570113 556521600 /nfs/dbraw/zinc/52/16/00/556521600.db2.gz XVVLECVLYLGIIY-RZTXVSJASA-N 0 0 431.467 3.605 50 0 IHAARN COc1ccc2[nH]cc([C@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)Nc4ncnn43)c2c1 ZINC000013570633 556521851 /nfs/dbraw/zinc/52/18/51/556521851.db2.gz LJGGGOAAYAGOSO-FQEVSTJZSA-N 0 0 434.887 3.751 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(c2ccccc2)CC1 ZINC000015345782 556522254 /nfs/dbraw/zinc/52/22/54/556522254.db2.gz CDABFOQHCZRKJI-UHFFFAOYSA-N 0 0 439.512 3.589 50 0 IHAARN CC(=O)Nc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1 ZINC000072296944 556522467 /nfs/dbraw/zinc/52/24/67/556522467.db2.gz UNSXXUJXCJOXIT-DEOSSOPVSA-N 0 0 429.520 3.578 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1Br ZINC000015365268 556523275 /nfs/dbraw/zinc/52/32/75/556523275.db2.gz IJRKYVAAVZZCBY-UHFFFAOYSA-N 0 0 434.359 3.823 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccccc2)cc1 ZINC000015412897 556525692 /nfs/dbraw/zinc/52/56/92/556525692.db2.gz YMNPAZODANDZFH-XMMPIXPASA-N 0 0 432.476 3.834 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015419431 556526904 /nfs/dbraw/zinc/52/69/04/556526904.db2.gz SUSOEAKRCXIQSB-UHFFFAOYSA-N 0 0 449.736 3.718 50 0 IHAARN COc1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC ZINC000015511121 556531995 /nfs/dbraw/zinc/53/19/95/556531995.db2.gz AXFWCLQXPHKWKD-UHFFFAOYSA-N 0 0 432.432 3.765 50 0 IHAARN COc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000015518914 556532894 /nfs/dbraw/zinc/53/28/94/556532894.db2.gz VUEVANXEHIYCHN-NRFANRHFSA-N 0 0 439.556 3.521 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000015518830 556532914 /nfs/dbraw/zinc/53/29/14/556532914.db2.gz SLWHXXXASYMKKV-UHFFFAOYSA-N 0 0 434.367 3.936 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 ZINC000032901069 556535649 /nfs/dbraw/zinc/53/56/49/556535649.db2.gz HRYCNVXRYNNPBD-IBGZPJMESA-N 0 0 446.338 3.645 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000015588503 556536101 /nfs/dbraw/zinc/53/61/01/556536101.db2.gz FXOUROGDSMFICX-UHFFFAOYSA-N 0 0 432.404 3.747 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000015611875 556538081 /nfs/dbraw/zinc/53/80/81/556538081.db2.gz WLTSPHGLCSKWSE-QFIPXVFZSA-N 0 0 441.553 3.618 50 0 IHAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1 ZINC000013635172 556540767 /nfs/dbraw/zinc/54/07/67/556540767.db2.gz LLATXXZJLCJMCN-FZDBZEDMSA-N 0 0 445.302 3.731 50 0 IHAARN CSc1ccc([C@H]2NC3=NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000013638227 556541670 /nfs/dbraw/zinc/54/16/70/556541670.db2.gz RHSYLVBXXPEAFA-QFIPXVFZSA-N 0 0 441.564 3.897 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Cl)cc1Br ZINC000032602096 556542569 /nfs/dbraw/zinc/54/25/69/556542569.db2.gz GJOMIOKFKPZCBG-UHFFFAOYSA-N 0 0 429.767 3.922 50 0 IHAARN COc1cccc(-c2noc([C@@H](C)NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)n2)c1 ZINC000072303551 556547398 /nfs/dbraw/zinc/54/73/98/556547398.db2.gz NWLIUTXBBNWOPH-OAHLLOKOSA-N 0 0 433.468 3.914 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NC4CCCCCC4)C3)n2)cc1OC ZINC000015726071 556547588 /nfs/dbraw/zinc/54/75/88/556547588.db2.gz QABXHCMWWVVZJJ-SFHVURJKSA-N 0 0 442.560 3.805 50 0 IHAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccccc1 ZINC000015768653 556549492 /nfs/dbraw/zinc/54/94/92/556549492.db2.gz GQMHYBBADIFJDI-KQWNVCNZSA-N 0 0 444.512 3.923 50 0 IHAARN CSc1ncc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)n1-c1ccc(F)cc1 ZINC000032906599 556553460 /nfs/dbraw/zinc/55/34/60/556553460.db2.gz UCGIAIUVQIIHOU-OAHLLOKOSA-N 0 0 436.516 3.796 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1C ZINC000033115319 556554893 /nfs/dbraw/zinc/55/48/93/556554893.db2.gz RXGRRSYKWSAQSE-NRFANRHFSA-N 0 0 442.581 3.739 50 0 IHAARN COc1cc(OC)c(N2C[C@@H](C(=O)NCCSc3ccccc3)CC2=O)cc1Cl ZINC000015833385 556554935 /nfs/dbraw/zinc/55/49/35/556554935.db2.gz GHSYERVDBZHGLI-AWEZNQCLSA-N 0 0 434.945 3.619 50 0 IHAARN O=C(CCn1cnc2onc(-c3ccccc3)c2c1=O)Nc1ccccc1Br ZINC000033250047 556557061 /nfs/dbraw/zinc/55/70/61/556557061.db2.gz XLFZRLVLMALGFV-UHFFFAOYSA-N 0 0 439.269 3.843 50 0 IHAARN COc1ccc(CCN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC ZINC000015846551 556557291 /nfs/dbraw/zinc/55/72/91/556557291.db2.gz DBQWKJXADWSSKA-HSZRJFAPSA-N 0 0 446.547 3.746 50 0 IHAARN COc1ccc(Cc2nnc3sc(-c4cncc(Br)c4)nn23)cc1OC ZINC000013682174 556557370 /nfs/dbraw/zinc/55/73/70/556557370.db2.gz OMBNJBRCHISNRT-UHFFFAOYSA-N 0 0 432.303 3.618 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1OC ZINC000033274577 556558768 /nfs/dbraw/zinc/55/87/68/556558768.db2.gz CHNIVJKDORHIJQ-UHFFFAOYSA-N 0 0 444.553 3.595 50 0 IHAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@H](CO)C5)C4=O)cc3)sc2c1 ZINC000033293656 556559645 /nfs/dbraw/zinc/55/96/45/556559645.db2.gz ARPPWDFZLBIMCX-JXFKEZNVSA-N 0 0 435.549 3.608 50 0 IHAARN O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1ccc(Cl)cc1 ZINC000071285479 556562855 /nfs/dbraw/zinc/56/28/55/556562855.db2.gz HMEPRDZSHTZIQZ-UHFFFAOYSA-N 0 0 436.943 3.995 50 0 IHAARN COc1ccc(OCc2nc(CCN(C)C(=O)c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000032961035 556571864 /nfs/dbraw/zinc/57/18/64/556571864.db2.gz LCVVHHVFCHMAGT-UHFFFAOYSA-N 0 0 435.402 3.991 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000032909197 556572405 /nfs/dbraw/zinc/57/24/05/556572405.db2.gz HLKYSODEDZWDMG-UHFFFAOYSA-N 0 0 438.505 3.629 50 0 IHAARN CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(=O)n(-c2ccccc2)n1C ZINC000032909192 556572457 /nfs/dbraw/zinc/57/24/57/556572457.db2.gz PVYZCMMLDZARGL-UHFFFAOYSA-N 0 0 425.554 3.979 50 0 IHAARN CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000072310423 556576080 /nfs/dbraw/zinc/57/60/80/556576080.db2.gz QGLCMTYXLWKIGT-SFHVURJKSA-N 0 0 444.553 3.945 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000019866618 556576486 /nfs/dbraw/zinc/57/64/86/556576486.db2.gz XYUPPBLAOBYUNP-UHFFFAOYSA-N 0 0 438.446 3.689 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000032909883 556577697 /nfs/dbraw/zinc/57/76/97/556577697.db2.gz MNUBPBNSNGYUQK-UHFFFAOYSA-N 0 0 430.430 3.668 50 0 IHAARN CCOC(=O)C1=C(COC(=O)Cc2coc3cc(C)ccc23)NC(=O)N[C@@H]1c1ccccc1 ZINC000016045531 556579586 /nfs/dbraw/zinc/57/95/86/556579586.db2.gz CCUGYJWQKNDSOS-HSZRJFAPSA-N 0 0 448.475 3.698 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc21 ZINC000016090623 556582472 /nfs/dbraw/zinc/58/24/72/556582472.db2.gz JHDZLMUOXOCQBX-KRWDZBQOSA-N 0 0 444.578 3.664 50 0 IHAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000016097936 556582747 /nfs/dbraw/zinc/58/27/47/556582747.db2.gz UGVLSFDMRJGIEW-UHFFFAOYSA-N 0 0 434.583 3.541 50 0 IHAARN CCCCCn1c2ccccc2nc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000032910720 556584357 /nfs/dbraw/zinc/58/43/57/556584357.db2.gz PJNMRLHKPCZMEN-UHFFFAOYSA-N 0 0 443.573 3.605 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)OCc3cc(=O)n4cc(C)ccc4n3)cs2)cc1 ZINC000016167312 556587011 /nfs/dbraw/zinc/58/70/11/556587011.db2.gz DYVQAORKGIVHTB-UHFFFAOYSA-N 0 0 435.505 3.633 50 0 IHAARN C[C@H]1Oc2ccccc2N(CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1=O ZINC000016192604 556588747 /nfs/dbraw/zinc/58/87/47/556588747.db2.gz TXJAILOAEWHQBY-OAHLLOKOSA-N 0 0 433.460 3.529 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000016248363 556594179 /nfs/dbraw/zinc/59/41/79/556594179.db2.gz UPGGMYLXMRSKST-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000016262077 556595123 /nfs/dbraw/zinc/59/51/23/556595123.db2.gz UJYYAFFCXXBHLV-PKOBYXMFSA-N 0 0 426.929 3.782 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036613475 556598403 /nfs/dbraw/zinc/59/84/03/556598403.db2.gz OCIHUYLRQYQAJH-UHFFFAOYSA-N 0 0 428.540 3.946 50 0 IHAARN Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000016293494 556598669 /nfs/dbraw/zinc/59/86/69/556598669.db2.gz YBMLLFGJJQKPOT-UHFFFAOYSA-N 0 0 435.553 3.839 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccccc2F)cc1 ZINC000016309655 556599190 /nfs/dbraw/zinc/59/91/90/556599190.db2.gz CLSGXPGOZYSYGF-UHFFFAOYSA-N 0 0 426.513 3.688 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4F)ncn3)C[C@@H]2C)cc1 ZINC000037357176 556602088 /nfs/dbraw/zinc/60/20/88/556602088.db2.gz GXSAEUVLYKBMBB-KRWDZBQOSA-N 0 0 442.516 3.616 50 0 IHAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H](C)CC ZINC000037401166 556602847 /nfs/dbraw/zinc/60/28/47/556602847.db2.gz FBEOAALQVGPMMN-MRXNPFEDSA-N 0 0 447.557 3.743 50 0 IHAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1OC ZINC000016400571 556605527 /nfs/dbraw/zinc/60/55/27/556605527.db2.gz AHNAXXKQMXMEGG-OAHLLOKOSA-N 0 0 449.598 3.933 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCc2ccc(F)cc2)s1 ZINC000032987317 556607227 /nfs/dbraw/zinc/60/72/27/556607227.db2.gz LIHDGLCCTMIEMQ-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN O=C(NCCCn1ccnc1)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000016448695 556608727 /nfs/dbraw/zinc/60/87/27/556608727.db2.gz IHURTGINXHDOOG-UHFFFAOYSA-N 0 0 432.381 3.571 50 0 IHAARN CCn1c2ccc(C(=O)Oc3ccc4ccccc4c3Br)cc2[nH]c(=O)c1=O ZINC000032988064 556608749 /nfs/dbraw/zinc/60/87/49/556608749.db2.gz ATIHUQRHXVHHLM-UHFFFAOYSA-N 0 0 439.265 3.845 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccco2)cc1 ZINC000032988115 556608798 /nfs/dbraw/zinc/60/87/98/556608798.db2.gz IHIPRPNOQUKDJR-UHFFFAOYSA-N 0 0 436.493 3.602 50 0 IHAARN C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000016685003 556625445 /nfs/dbraw/zinc/62/54/45/556625445.db2.gz YJBLTFAJTHRAGD-KRWDZBQOSA-N 0 0 432.476 3.966 50 0 IHAARN COc1cc(NC(=O)c2cn(-c3ccc(-c4noc(C)n4)cc3)nc2C)cc(OC)c1OC ZINC000032999149 556627302 /nfs/dbraw/zinc/62/73/02/556627302.db2.gz UTQRDDXMLFEQHM-UHFFFAOYSA-N 0 0 449.467 3.817 50 0 IHAARN Cc1ccc2nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 ZINC000039383652 556628398 /nfs/dbraw/zinc/62/83/98/556628398.db2.gz NEUPUIIGCLGALS-UHFFFAOYSA-N 0 0 442.527 3.829 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000039445065 556628846 /nfs/dbraw/zinc/62/88/46/556628846.db2.gz WWMWWGCOHBQQFD-OAHLLOKOSA-N 0 0 426.941 3.678 50 0 IHAARN COc1ccc(CN2CCN(Cc3cnc(-c4cccc(C)c4)nc3)C[C@H]2CCO)cc1C ZINC000039455686 556629196 /nfs/dbraw/zinc/62/91/96/556629196.db2.gz PWGUSUZCRGVPAY-RUZDIDTESA-N 0 0 446.595 3.838 50 0 IHAARN Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1C ZINC000005087752 556631974 /nfs/dbraw/zinc/63/19/74/556631974.db2.gz NLAKHXIEXNUFGH-GOSISDBHSA-N 0 0 426.948 3.594 50 0 IHAARN COCc1nn2c(nnc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(F)cc1 ZINC000040392310 556638423 /nfs/dbraw/zinc/63/84/23/556638423.db2.gz PBQGLABYIUMDNW-UHFFFAOYSA-N 0 0 435.484 3.696 50 0 IHAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000016806442 556644121 /nfs/dbraw/zinc/64/41/21/556644121.db2.gz HQWBTYQQQLHGFC-QFIPXVFZSA-N 0 0 437.492 3.764 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000016806548 556644151 /nfs/dbraw/zinc/64/41/51/556644151.db2.gz PLYMNMZIMYQOHX-ZABCRHKISA-N 0 0 443.594 3.878 50 0 IHAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccccc1Cl ZINC000016840945 556645853 /nfs/dbraw/zinc/64/58/53/556645853.db2.gz QWVCEEGUSXBHRT-UHFFFAOYSA-N 0 0 438.940 3.991 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1 ZINC000016842692 556646382 /nfs/dbraw/zinc/64/63/82/556646382.db2.gz QIVLWRUGGQWJML-UHFFFAOYSA-N 0 0 431.427 3.799 50 0 IHAARN COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1OC ZINC000016959915 556651199 /nfs/dbraw/zinc/65/11/99/556651199.db2.gz KEGDPCNITZBWIP-UHFFFAOYSA-N 0 0 434.521 3.822 50 0 IHAARN COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 ZINC000017005835 556652715 /nfs/dbraw/zinc/65/27/15/556652715.db2.gz VYJLSUXPTXUEKS-SNVBAGLBSA-N 0 0 426.238 3.789 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccc(F)cc3)c(=O)c12 ZINC000032999240 556652960 /nfs/dbraw/zinc/65/29/60/556652960.db2.gz IULAMEGJVQCZAP-UHFFFAOYSA-N 0 0 436.462 3.789 50 0 IHAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000011758473 556653010 /nfs/dbraw/zinc/65/30/10/556653010.db2.gz RSXSHXXDJFISBY-UHFFFAOYSA-N 0 0 428.880 3.793 50 0 IHAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000011758658 556653442 /nfs/dbraw/zinc/65/34/42/556653442.db2.gz RPRBNJACJZQVHZ-UHFFFAOYSA-N 0 0 426.889 3.603 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C(=O)Nc1ccccc1Cl ZINC000038736414 556654198 /nfs/dbraw/zinc/65/41/98/556654198.db2.gz LBCZPMSPWKCFBB-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN CN(C)c1cc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)ccn1 ZINC000032928621 556656863 /nfs/dbraw/zinc/65/68/63/556656863.db2.gz KVSDZKSLJKVSJL-UHFFFAOYSA-N 0 0 441.491 3.796 50 0 IHAARN Cc1c(I)cnn1CCC(=O)N(C)C12CC3CC(CC(C3)C1)C2 ZINC000017095311 556658632 /nfs/dbraw/zinc/65/86/32/556658632.db2.gz LTSGGBUWHKCTHT-UHFFFAOYSA-N 0 0 427.330 3.613 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011524 556659382 /nfs/dbraw/zinc/65/93/82/556659382.db2.gz JFGLBVFNKCMQBF-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1cccnc1 ZINC000033013131 556662383 /nfs/dbraw/zinc/66/23/83/556662383.db2.gz QGSDUOKEQJBLFX-UHFFFAOYSA-N 0 0 430.464 3.811 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)NC[C@H]4CCCO4)C3)sc12 ZINC000248099203 556664113 /nfs/dbraw/zinc/66/41/13/556664113.db2.gz JCVMEAXUXGHQSL-IEBWSBKVSA-N 0 0 439.585 3.610 50 0 IHAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)S(=O)(=O)c2ccccc2)cc1 ZINC000033014223 556664418 /nfs/dbraw/zinc/66/44/18/556664418.db2.gz HWFCDLFOUFJDKH-UHFFFAOYSA-N 0 0 437.525 3.535 50 0 IHAARN CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011865685 556665413 /nfs/dbraw/zinc/66/54/13/556665413.db2.gz IDIPKFXULBZFMS-LJQANCHMSA-N 0 0 443.858 3.727 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000017134401 556669140 /nfs/dbraw/zinc/66/91/40/556669140.db2.gz JDVVKQXLICKDMU-OXJNMPFZSA-N 0 0 440.565 3.726 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)cc1 ZINC000017154747 556670585 /nfs/dbraw/zinc/67/05/85/556670585.db2.gz RHVBUJCNXPPHQA-UHFFFAOYSA-N 0 0 431.517 3.656 50 0 IHAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@@H](CO)C5)C4=O)cc3)sc2c1 ZINC000017166671 556671123 /nfs/dbraw/zinc/67/11/23/556671123.db2.gz ARPPWDFZLBIMCX-UZLBHIALSA-N 0 0 435.549 3.608 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 ZINC000011906525 556671566 /nfs/dbraw/zinc/67/15/66/556671566.db2.gz YKKZCRFQZBHCLO-UHFFFAOYSA-N 0 0 437.521 3.873 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(Cl)cc3)ccc1=O)CCC2 ZINC000011914114 556673703 /nfs/dbraw/zinc/67/37/03/556673703.db2.gz ASHUACSTJMGKDQ-UHFFFAOYSA-N 0 0 443.912 3.865 50 0 IHAARN COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000011914918 556674185 /nfs/dbraw/zinc/67/41/85/556674185.db2.gz REKKBVGHVFAUJK-QHCPKHFHSA-N 0 0 437.496 3.690 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000011918115 556674739 /nfs/dbraw/zinc/67/47/39/556674739.db2.gz KBQBAHCXXDHDGT-UHFFFAOYSA-N 0 0 433.464 3.616 50 0 IHAARN CCCCN(C(=O)CN1CCc2sccc2[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000248230481 556676565 /nfs/dbraw/zinc/67/65/65/556676565.db2.gz KRDLTYWHHFIDEY-WMZHIEFXSA-N 0 0 446.638 3.511 50 0 IHAARN O=C(OCc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(N2CCCC2=O)cc1 ZINC000012007685 556680646 /nfs/dbraw/zinc/68/06/46/556680646.db2.gz YTRZHLRBHXSLPK-UHFFFAOYSA-N 0 0 443.459 3.522 50 0 IHAARN C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000238937464 556682054 /nfs/dbraw/zinc/68/20/54/556682054.db2.gz VQJMILKSUUHGTB-XOWTYJCDSA-N 0 0 425.525 3.593 50 0 biogenic IHAARN Cc1ccccc1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)cc(C)n1Cc1ccncc1 ZINC000018057744 556682495 /nfs/dbraw/zinc/68/24/95/556682495.db2.gz LVBMJMJRJOEJFV-OYRHEFFESA-N 0 0 445.563 3.749 50 0 IHAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)OCC)CC3)C2=O)cc1 ZINC000018137843 556684721 /nfs/dbraw/zinc/68/47/21/556684721.db2.gz PSVWNBRGAAUGSF-NRFANRHFSA-N 0 0 430.545 3.553 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 ZINC000046005656 556689873 /nfs/dbraw/zinc/68/98/73/556689873.db2.gz SNRDVNWQBUCPQE-MRXNPFEDSA-N 0 0 449.486 3.625 50 0 IHAARN CN(C)C(=O)N[C@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000000825910 556690007 /nfs/dbraw/zinc/69/00/07/556690007.db2.gz AYNSHXBSAGJWLW-VIFPVBQESA-N 0 0 436.508 3.671 50 0 IHAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl ZINC000252490134 556690527 /nfs/dbraw/zinc/69/05/27/556690527.db2.gz KJXYPUUPEIUUDK-SFHVURJKSA-N 0 0 447.967 3.912 50 0 IHAARN CCOC(OCC)c1nnc(SC[C@@H]2CCCN2C(=O)OCc2ccccc2)n1C ZINC000253424119 556696929 /nfs/dbraw/zinc/69/69/29/556696929.db2.gz ASGXWDOZTBSHCL-KRWDZBQOSA-N 0 0 434.562 3.780 50 0 IHAARN Cn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000033025904 556702040 /nfs/dbraw/zinc/70/20/40/556702040.db2.gz ZSOCPJIGSAYKQI-UHFFFAOYSA-N 0 0 446.482 3.702 50 0 IHAARN Cn1c(CCNC(=O)C2CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000033026073 556702598 /nfs/dbraw/zinc/70/25/98/556702598.db2.gz RUGAJPUYRVOLOD-UHFFFAOYSA-N 0 0 448.567 3.957 50 0 IHAARN COc1ccc(-c2coc3cc(OCCN4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC ZINC000013626037 556704379 /nfs/dbraw/zinc/70/43/79/556704379.db2.gz IPRUUBMACLENNN-CALCHBBNSA-N 0 0 439.508 3.965 50 0 biogenic IHAARN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000060335161 556707173 /nfs/dbraw/zinc/70/71/73/556707173.db2.gz AGRPCWVCDYWLNZ-UHFFFAOYSA-N 0 0 426.402 3.978 50 0 IHAARN Cc1sc2c(ncn(C3CCCC3)c2=O)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000065297643 556718098 /nfs/dbraw/zinc/71/80/98/556718098.db2.gz FONZRMULRMTLCE-UHFFFAOYSA-N 0 0 440.544 3.983 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000011138481 556719388 /nfs/dbraw/zinc/71/93/88/556719388.db2.gz FTTUONCNPSKOEW-CYBMUJFWSA-N 0 0 447.871 3.653 50 0 IHAARN CN(C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000060350879 556719602 /nfs/dbraw/zinc/71/96/02/556719602.db2.gz YHVWFBKCVFRSDD-HXUWFJFHSA-N 0 0 440.487 3.508 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011140069 556719953 /nfs/dbraw/zinc/71/99/53/556719953.db2.gz CFTREWLMRDTFTQ-HXUWFJFHSA-N 0 0 431.895 3.999 50 0 IHAARN COc1ccc(CCn2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)c3ccccc3c2=O)cc1 ZINC000072325390 556723393 /nfs/dbraw/zinc/72/33/93/556723393.db2.gz HGHOPAFEWIOOHO-LJQANCHMSA-N 0 0 434.536 3.940 50 0 biogenic IHAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3nccc4ccccc43)C2)CC1 ZINC000055108894 556734847 /nfs/dbraw/zinc/73/48/47/556734847.db2.gz GEWRQBVODAJOEM-OAQYLSRUSA-N 0 0 430.552 3.670 50 0 IHAARN CC(=O)Nc1ccc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000019317117 556735949 /nfs/dbraw/zinc/73/59/49/556735949.db2.gz LHMVDIYWKXJRGB-UHFFFAOYSA-N 0 0 437.521 3.923 50 0 IHAARN Fc1ccc([C@H]2NC3=NCN(CCc4ccccc4)CN3c3nc4ccccc4n32)cc1 ZINC000019320928 556736165 /nfs/dbraw/zinc/73/61/65/556736165.db2.gz PWPNBYQDZLLXGS-QHCPKHFHSA-N 0 0 426.499 3.961 50 0 IHAARN COCCn1c(CN(C)Cc2cccc3cnccc32)cnc1S(=O)(=O)CC(C)(C)C ZINC000055166460 556736646 /nfs/dbraw/zinc/73/66/46/556736646.db2.gz PQNGHHZOVBFKOT-UHFFFAOYSA-N 0 0 444.601 3.530 50 0 IHAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)COc3ccccc3Cl)C2)CC1 ZINC000055243807 556738645 /nfs/dbraw/zinc/73/86/45/556738645.db2.gz YOEJGZHZHHOVLG-IBGZPJMESA-N 0 0 443.975 3.541 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)c(C)c4)oc3C)CC2)cc1 ZINC000055369386 556740794 /nfs/dbraw/zinc/74/07/94/556740794.db2.gz NEDDWTSOCAUVFW-UHFFFAOYSA-N 0 0 435.524 3.934 50 0 IHAARN O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@@H]1c1nccs1 ZINC000055575282 556742480 /nfs/dbraw/zinc/74/24/80/556742480.db2.gz PIWSCXOWOLRHRG-LJQANCHMSA-N 0 0 441.532 3.570 50 0 IHAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000033047992 556743495 /nfs/dbraw/zinc/74/34/95/556743495.db2.gz BAZCYPCYWFOMFH-JOCHJYFZSA-N 0 0 425.510 3.507 50 0 IHAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000033047991 556743507 /nfs/dbraw/zinc/74/35/07/556743507.db2.gz BAZCYPCYWFOMFH-QFIPXVFZSA-N 0 0 425.510 3.507 50 0 IHAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)c1 ZINC000013829319 556744713 /nfs/dbraw/zinc/74/47/13/556744713.db2.gz GMMAHJCJIRRMEU-UHFFFAOYSA-N 0 0 440.525 3.780 50 0 IHAARN C[C@@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019371423 556748381 /nfs/dbraw/zinc/74/83/81/556748381.db2.gz ZHECCKBMTPKDEB-LJQANCHMSA-N 0 0 445.563 3.953 50 0 IHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000058008129 556752740 /nfs/dbraw/zinc/75/27/40/556752740.db2.gz HPNVVCFMVVUKLU-UHFFFAOYSA-N 0 0 430.291 3.589 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000058010111 556753218 /nfs/dbraw/zinc/75/32/18/556753218.db2.gz KLBZQTSBURZRCC-IBGZPJMESA-N 0 0 426.586 3.692 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](O)COc1c(C)cccc1C ZINC000058028736 556754755 /nfs/dbraw/zinc/75/47/55/556754755.db2.gz MLOLKDGECDKPSR-SFHVURJKSA-N 0 0 441.553 3.765 50 0 IHAARN Fc1ccc(OCc2noc(CN3CCN(CCOc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000058024350 556754761 /nfs/dbraw/zinc/75/47/61/556754761.db2.gz FLYNFEQKYUWKLP-UHFFFAOYSA-N 0 0 446.910 3.638 50 0 IHAARN O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058079638 556756740 /nfs/dbraw/zinc/75/67/40/556756740.db2.gz HCZCTZIOXMNNBQ-SFHVURJKSA-N 0 0 426.469 3.784 50 0 IHAARN Cc1c(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C ZINC000058140688 556761091 /nfs/dbraw/zinc/76/10/91/556761091.db2.gz GEJXALZRAGPXOM-IBGZPJMESA-N 0 0 447.564 3.870 50 0 IHAARN COC(=O)C(C)(C)NC(=O)CSc1csc(-c2ccc(Br)cc2)n1 ZINC000058147351 556761986 /nfs/dbraw/zinc/76/19/86/556761986.db2.gz QUIZGIKCZLUPHG-UHFFFAOYSA-N 0 0 429.361 3.733 50 0 IHAARN CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000058154598 556762456 /nfs/dbraw/zinc/76/24/56/556762456.db2.gz DPAMMKGSFOJVOU-KURKYZTESA-N 0 0 435.590 3.706 50 0 IHAARN C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccc1OC(F)(F)F ZINC000061984104 556763351 /nfs/dbraw/zinc/76/33/51/556763351.db2.gz RZGZJZNXJCWOFB-CYBMUJFWSA-N 0 0 437.443 3.823 50 0 IHAARN COc1ccc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cn1 ZINC000062001431 556764464 /nfs/dbraw/zinc/76/44/64/556764464.db2.gz HBDYCSVKOLTAAD-WLRTZDKTSA-N 0 0 426.469 3.691 50 0 biogenic IHAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000062022686 556766032 /nfs/dbraw/zinc/76/60/32/556766032.db2.gz ZRQMLUPIIJGURQ-UHFFFAOYSA-N 0 0 434.397 3.675 50 0 IHAARN COc1cc(-c2nnc(SCC3(c4ccc(F)cc4)OCCO3)o2)cc(OC)c1OC ZINC000034081190 556766925 /nfs/dbraw/zinc/76/69/25/556766925.db2.gz JGAVACHZJWLJNL-UHFFFAOYSA-N 0 0 448.472 3.893 50 0 IHAARN C[C@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058169866 556767762 /nfs/dbraw/zinc/76/77/62/556767762.db2.gz IVXXXFMEIIPONZ-YCRPNKLZSA-N 0 0 443.956 3.694 50 0 IHAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000058178707 556769830 /nfs/dbraw/zinc/76/98/30/556769830.db2.gz WGFGQOTYBSBHSI-OAQYLSRUSA-N 0 0 430.476 3.587 50 0 IHAARN CC(=O)NC1(C(=O)OCc2nnc(-c3cccc(Br)c3)o2)CCC(C)CC1 ZINC000058321116 556780683 /nfs/dbraw/zinc/78/06/83/556780683.db2.gz GLBYXUIXKNKODO-UHFFFAOYSA-N 0 0 436.306 3.627 50 0 IHAARN O=C(CN1C=Nc2ccccc2S1(=O)=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000058366907 556783088 /nfs/dbraw/zinc/78/30/88/556783088.db2.gz NQFNAKDXLDPGHS-UHFFFAOYSA-N 0 0 429.885 3.581 50 0 IHAARN O=C(Nc1cccc(Br)n1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058423449 556787809 /nfs/dbraw/zinc/78/78/09/556787809.db2.gz GEJFIXUSVQHUNG-LBPRGKRZSA-N 0 0 442.235 3.850 50 0 IHAARN COCc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000058434697 556788150 /nfs/dbraw/zinc/78/81/50/556788150.db2.gz UUHSQLLZXAWKRH-UHFFFAOYSA-N 0 0 425.872 3.929 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1CC(=O)Nc2ccccc21 ZINC000058530843 556789645 /nfs/dbraw/zinc/78/96/45/556789645.db2.gz NEDVHHZKPVGKBR-OAHLLOKOSA-N 0 0 425.286 3.758 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000019530129 556791361 /nfs/dbraw/zinc/79/13/61/556791361.db2.gz VIZIUWLHMXGTMF-XMMPIXPASA-N 0 0 447.535 3.656 50 0 IHAARN Cc1c(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)sc2nc(C)cc(C)c12 ZINC000058750714 556791694 /nfs/dbraw/zinc/79/16/94/556791694.db2.gz LJUMWTBXXJQNLY-HNNXBMFYSA-N 0 0 432.343 3.940 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC ZINC000019549533 556794737 /nfs/dbraw/zinc/79/47/37/556794737.db2.gz BFVVDCGPOOSPOR-UHFFFAOYSA-N 0 0 438.446 3.689 50 0 IHAARN CCCN(CC(F)(F)F)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000059252759 556795949 /nfs/dbraw/zinc/79/59/49/556795949.db2.gz LAVPNQDUCQNJRR-HXUWFJFHSA-N 0 0 425.451 3.567 50 0 IHAARN CN(CCCC(=O)N1CCCCC[C@H]1c1ccncc1)S(=O)(=O)c1ccc(F)cc1 ZINC000059254066 556796139 /nfs/dbraw/zinc/79/61/39/556796139.db2.gz MMASGWGGHUPAGO-NRFANRHFSA-N 0 0 433.549 3.765 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000059288992 556797065 /nfs/dbraw/zinc/79/70/65/556797065.db2.gz CQEKMZQKJRBZLD-GOSISDBHSA-N 0 0 432.542 3.909 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000002725826 556803421 /nfs/dbraw/zinc/80/34/21/556803421.db2.gz MRLYEZNSKZARHJ-JXFKEZNVSA-N 0 0 430.932 3.905 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000003060801 556803495 /nfs/dbraw/zinc/80/34/95/556803495.db2.gz QMBUAXWLKCODPE-XDJZYPBNSA-N 0 0 431.532 3.984 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 ZINC000059759604 556804226 /nfs/dbraw/zinc/80/42/26/556804226.db2.gz BVBHUUPMWGEUJG-UHFFFAOYSA-N 0 0 428.577 3.861 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(CSc3ccccc3)s2)CC1 ZINC000059759609 556804257 /nfs/dbraw/zinc/80/42/57/556804257.db2.gz QZXAHHMTVLQULA-UHFFFAOYSA-N 0 0 433.603 3.943 50 0 IHAARN O=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003213072 556805194 /nfs/dbraw/zinc/80/51/94/556805194.db2.gz LECZXUBRMQLQOY-UHFFFAOYSA-N 0 0 433.599 3.778 50 0 IHAARN CC(C)c1c(C(=O)NCCNC(=O)OC(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000060158643 556806911 /nfs/dbraw/zinc/80/69/11/556806911.db2.gz WWVVJHDKFQYIHZ-UHFFFAOYSA-N 0 0 441.454 3.664 50 0 IHAARN Cc1cc(I)ccc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000003275776 556807845 /nfs/dbraw/zinc/80/78/45/556807845.db2.gz WKBZLFJMKJLXAR-CYBMUJFWSA-N 0 0 442.080 3.665 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 ZINC000003306228 556809180 /nfs/dbraw/zinc/80/91/80/556809180.db2.gz LDAZQWRDNZOCOJ-GFCCVEGCSA-N 0 0 441.534 3.781 50 0 IHAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1OC ZINC000003314018 556809637 /nfs/dbraw/zinc/80/96/37/556809637.db2.gz LTISTSVWDJZFKG-RQMBKDMJSA-N 0 0 427.497 3.740 50 0 IHAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000097940901 556810581 /nfs/dbraw/zinc/81/05/81/556810581.db2.gz IXNKKOUJLKDVON-UHFFFAOYSA-N 0 0 442.541 3.738 50 0 IHAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1 ZINC000003360731 556811743 /nfs/dbraw/zinc/81/17/43/556811743.db2.gz ADRSVRSLIZRCOT-MDZDMXLPSA-N 0 0 442.548 3.753 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1F ZINC000003341451 556813032 /nfs/dbraw/zinc/81/30/32/556813032.db2.gz QDJDPDSEIQGCHL-QFIPXVFZSA-N 0 0 434.467 3.657 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000011208357 556813944 /nfs/dbraw/zinc/81/39/44/556813944.db2.gz CTNHSNXLAVCIBP-FQEVSTJZSA-N 0 0 442.537 3.909 50 0 IHAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCn1nnc2ccccc2c1=O ZINC000003408350 556814671 /nfs/dbraw/zinc/81/46/71/556814671.db2.gz RRIUALHEFZTYAJ-UHFFFAOYSA-N 0 0 430.489 3.985 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@H]3CCCCN3C4=O)CC2)c1C ZINC000097944047 556814838 /nfs/dbraw/zinc/81/48/38/556814838.db2.gz CWXBRVAIBRDOAV-XMMPIXPASA-N 0 0 432.568 3.668 50 0 IHAARN COc1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c(OC)c1 ZINC000033061369 556816962 /nfs/dbraw/zinc/81/69/62/556816962.db2.gz SWMYFIQOCCEMBS-UHFFFAOYSA-N 0 0 430.461 3.518 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2CCN(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000063150931 556819787 /nfs/dbraw/zinc/81/97/87/556819787.db2.gz XCEKSYMJOGXZMQ-UHFFFAOYSA-N 0 0 428.945 3.913 50 0 IHAARN COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000033068151 556820843 /nfs/dbraw/zinc/82/08/43/556820843.db2.gz QYDBEFSWCBOMKO-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN CCOc1ccc(-n2ccn3c(CCCC(=O)Nc4ccc(C)cc4)nnc3c2=O)cc1 ZINC000064591625 556825442 /nfs/dbraw/zinc/82/54/42/556825442.db2.gz BFIBGSHRTGGKJY-UHFFFAOYSA-N 0 0 431.496 3.549 50 0 IHAARN Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(C(=O)/C=C/c1ccccc1)C2 ZINC000064893128 556828247 /nfs/dbraw/zinc/82/82/47/556828247.db2.gz BLAVOEQWTWQMET-FMIVXFBMSA-N 0 0 434.927 3.602 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)Cc4ccccc4)cc32)cc1 ZINC000065002621 556831033 /nfs/dbraw/zinc/83/10/33/556831033.db2.gz ZCIZSPZUJPMKPT-UHFFFAOYSA-N 0 0 436.533 3.518 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000065003515 556831513 /nfs/dbraw/zinc/83/15/13/556831513.db2.gz AVIZPHNDBYKTMO-KRWDZBQOSA-N 0 0 436.533 3.765 50 0 IHAARN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2nc(C3CC3)cc(C(F)(F)F)n2)n1 ZINC000019635678 556834997 /nfs/dbraw/zinc/83/49/97/556834997.db2.gz SFHIZZDTMDEAMR-UHFFFAOYSA-N 0 0 442.449 3.976 50 0 IHAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)nc21 ZINC000022997898 556838942 /nfs/dbraw/zinc/83/89/42/556838942.db2.gz IYANOIDABOVFEH-UHFFFAOYSA-N 0 0 439.581 3.911 50 0 IHAARN CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000022998485 556841070 /nfs/dbraw/zinc/84/10/70/556841070.db2.gz ZTFUDUUPAJOGHA-UHFFFAOYSA-N 0 0 443.544 3.742 50 0 IHAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccccc4C)c(=O)n3n2)c1 ZINC000062639811 556841416 /nfs/dbraw/zinc/84/14/16/556841416.db2.gz JNAKRACZKCQXHS-UHFFFAOYSA-N 0 0 439.475 3.667 50 0 IHAARN Cc1cccc2c1ccn2CCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000072405931 556841799 /nfs/dbraw/zinc/84/17/99/556841799.db2.gz SEXHBIKUJRSROW-UHFFFAOYSA-N 0 0 445.972 3.963 50 0 IHAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cccc(O)c1 ZINC000072406304 556842700 /nfs/dbraw/zinc/84/27/00/556842700.db2.gz GNUIAKMWJBTTPN-ZDUSSCGKSA-N 0 0 437.327 3.558 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c(C)c1 ZINC000011214477 556843056 /nfs/dbraw/zinc/84/30/56/556843056.db2.gz CZFAEVSRBPSBIF-HSZRJFAPSA-N 0 0 426.582 3.972 50 0 IHAARN Cc1ccc2cc(COC(=O)CNS(=O)(=O)c3ccccc3F)c(Cl)nc2c1C ZINC000008728448 556843813 /nfs/dbraw/zinc/84/38/13/556843813.db2.gz WMTZZCUWGUXEIH-UHFFFAOYSA-N 0 0 436.892 3.666 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cc2)cc1 ZINC000008745167 556845371 /nfs/dbraw/zinc/84/53/71/556845371.db2.gz JFJLQJAQIIDXNP-UHFFFAOYSA-N 0 0 442.475 3.686 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000023013343 556848236 /nfs/dbraw/zinc/84/82/36/556848236.db2.gz LRRMDVIRFSRUPK-UHFFFAOYSA-N 0 0 426.275 3.656 50 0 IHAARN COc1ccccc1OCCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000068713428 556849555 /nfs/dbraw/zinc/84/95/55/556849555.db2.gz FLWYHEOTALGMIU-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN CCSc1nnc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)s1 ZINC000008884317 556850768 /nfs/dbraw/zinc/85/07/68/556850768.db2.gz GGNCFHZMOWWYRO-UHFFFAOYSA-N 0 0 439.607 3.506 50 0 IHAARN COc1ccc(C)c2sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc21 ZINC000008897752 556851052 /nfs/dbraw/zinc/85/10/52/556851052.db2.gz SGDZFZMHKBLEQV-OAHLLOKOSA-N 0 0 449.529 3.544 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)c(OC)c1 ZINC000033071576 556851986 /nfs/dbraw/zinc/85/19/86/556851986.db2.gz FHRXBBYDMBTGNE-OAHLLOKOSA-N 0 0 428.920 3.766 50 0 IHAARN CC[C@H](C(=O)NCCn1ncc2c1nc(SC)nc2N1CCCCC1)c1ccccc1 ZINC000008946140 556853304 /nfs/dbraw/zinc/85/33/04/556853304.db2.gz DYAPIWSKTXIBRZ-SFHVURJKSA-N 0 0 438.601 3.849 50 0 IHAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc2)no1 ZINC000033077031 556854253 /nfs/dbraw/zinc/85/42/53/556854253.db2.gz IJWWWBLCJFZEGN-UHFFFAOYSA-N 0 0 438.915 3.867 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2c1 ZINC000033088041 556855816 /nfs/dbraw/zinc/85/58/16/556855816.db2.gz DSAWYUDBHJBHSQ-UHFFFAOYSA-N 0 0 439.943 3.765 50 0 IHAARN Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCN(C)CC2)ccc1Br ZINC000033086035 556857031 /nfs/dbraw/zinc/85/70/31/556857031.db2.gz YTYCCQLQUFCTNF-UHFFFAOYSA-N 0 0 440.345 3.705 50 0 IHAARN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c(OC)c1 ZINC000033088993 556858040 /nfs/dbraw/zinc/85/80/40/556858040.db2.gz CQYUHUCBBVWTLI-UHFFFAOYSA-N 0 0 429.270 3.590 50 0 IHAARN Cc1ccc(C(=O)NCc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033122801 556863608 /nfs/dbraw/zinc/86/36/08/556863608.db2.gz UAWFFBUDGGDSMB-UHFFFAOYSA-N 0 0 448.504 3.776 50 0 IHAARN C[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033125001 556866243 /nfs/dbraw/zinc/86/62/43/556866243.db2.gz CZRVWDAPPRZSNC-GFCCVEGCSA-N 0 0 437.349 3.676 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(Br)c1 ZINC000033125116 556866278 /nfs/dbraw/zinc/86/62/78/556866278.db2.gz WWBMRTYIRXVGGI-UHFFFAOYSA-N 0 0 442.313 3.938 50 0 IHAARN CCc1ccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000033129823 556869139 /nfs/dbraw/zinc/86/91/39/556869139.db2.gz KXJNILAJDIYQLS-UHFFFAOYSA-N 0 0 441.597 3.770 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)NCc1ccc(Cl)cc1 ZINC000033130264 556870173 /nfs/dbraw/zinc/87/01/73/556870173.db2.gz BACKTRKOCRQNAK-UHFFFAOYSA-N 0 0 432.904 3.741 50 0 IHAARN CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 ZINC000033131514 556872226 /nfs/dbraw/zinc/87/22/26/556872226.db2.gz NJMVZLHJFYYQCX-UHFFFAOYSA-N 0 0 439.002 3.570 50 0 IHAARN Cc1cccc(-c2nc(C3CCN(C(=O)[C@H](NC(=O)c4ccco4)C(C)C)CC3)no2)c1 ZINC000033139576 556874695 /nfs/dbraw/zinc/87/46/95/556874695.db2.gz UPJAZTOHLHGOQF-HXUWFJFHSA-N 0 0 436.512 3.799 50 0 IHAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000071281217 556880401 /nfs/dbraw/zinc/88/04/01/556880401.db2.gz TVOWOIQHNNOESX-UHFFFAOYSA-N 0 0 437.912 3.645 50 0 IHAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1NC(=O)C1CC1 ZINC000033171098 556882135 /nfs/dbraw/zinc/88/21/35/556882135.db2.gz FCDAVTMMPZYDSP-YHYXMXQVSA-N 0 0 429.542 3.923 50 0 IHAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1cccs1 ZINC000033169904 556884915 /nfs/dbraw/zinc/88/49/15/556884915.db2.gz LUYQCFRGEJHLRN-JTQLQIEISA-N 0 0 438.387 3.803 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCc2ccc(C)o2)c1 ZINC000033170602 556886126 /nfs/dbraw/zinc/88/61/26/556886126.db2.gz PAONZHAHSBOEIW-NTMALXAHSA-N 0 0 429.498 3.800 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)C1 ZINC000033249838 556891115 /nfs/dbraw/zinc/89/11/15/556891115.db2.gz TZFYYXUOIYCSHB-INIZCTEOSA-N 0 0 426.904 3.798 50 0 IHAARN Cc1cc2nc(C)c(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2cc1C ZINC000033254765 556891514 /nfs/dbraw/zinc/89/15/14/556891514.db2.gz OLUKGOLUGVGHMB-UHFFFAOYSA-N 0 0 438.959 3.632 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033252006 556892496 /nfs/dbraw/zinc/89/24/96/556892496.db2.gz DJSIWKMMNYZNHJ-HXUWFJFHSA-N 0 0 436.961 3.598 50 0 IHAARN CC1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)CC1 ZINC000033260110 556896931 /nfs/dbraw/zinc/89/69/31/556896931.db2.gz LGFNATHOIPXGNQ-UHFFFAOYSA-N 0 0 438.963 3.920 50 0 IHAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4F)ccc3n2)CC1 ZINC000033260644 556897468 /nfs/dbraw/zinc/89/74/68/556897468.db2.gz HNSBYVLXCXWEBN-UHFFFAOYSA-N 0 0 436.487 3.856 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)nc1 ZINC000072139316 556899292 /nfs/dbraw/zinc/89/92/92/556899292.db2.gz YMHTXESALPAQNY-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN COc1ccc(CN2CCN(Cc3ccc(OC)c(Br)c3)CC2)c(OC)c1 ZINC000019781923 556913564 /nfs/dbraw/zinc/91/35/64/556913564.db2.gz YAIIHJCDOWVJHZ-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)CCn2ccc3ccccc32)n1Cc1ccccc1 ZINC000019788033 556914129 /nfs/dbraw/zinc/91/41/29/556914129.db2.gz DYZNMUMLKYLEEA-UHFFFAOYSA-N 0 0 436.581 3.812 50 0 IHAARN COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 ZINC000019798066 556916553 /nfs/dbraw/zinc/91/65/53/556916553.db2.gz YAFVFQOVUCDTMT-DHIUTWEWSA-N 0 0 438.499 3.877 50 0 IHAARN O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817683 556920558 /nfs/dbraw/zinc/92/05/58/556920558.db2.gz QUELYDGIJMNPJF-FQEVSTJZSA-N 0 0 433.418 3.826 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860837 556933208 /nfs/dbraw/zinc/93/32/08/556933208.db2.gz AXKLXASQBUJHGA-KRWDZBQOSA-N 0 0 436.961 3.838 50 0 IHAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019863188 556934155 /nfs/dbraw/zinc/93/41/55/556934155.db2.gz RZBREIOJRJXLFH-GOSISDBHSA-N 0 0 434.533 3.793 50 0 IHAARN CC(C)c1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000019873365 556935842 /nfs/dbraw/zinc/93/58/42/556935842.db2.gz MHEFZXOOIDDYCN-UHFFFAOYSA-N 0 0 441.601 3.958 50 0 IHAARN COc1cc(CC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)cc(OC)c1OC ZINC000019883520 556937968 /nfs/dbraw/zinc/93/79/68/556937968.db2.gz URWWFRMMBGUGSP-INIZCTEOSA-N 0 0 441.553 3.650 50 0 IHAARN COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944555 556954264 /nfs/dbraw/zinc/95/42/64/556954264.db2.gz CYTJRTQYAAMMHA-INIZCTEOSA-N 0 0 436.217 3.591 50 0 IHAARN CCOC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 ZINC000019962672 556955882 /nfs/dbraw/zinc/95/58/82/556955882.db2.gz LOIVPSDXIPTCRU-UHFFFAOYSA-N 0 0 443.438 3.720 50 0 IHAARN COc1ccccc1-n1cnc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c1=O ZINC000020029362 556968399 /nfs/dbraw/zinc/96/83/99/556968399.db2.gz UYIANTHTFQIRBM-UHFFFAOYSA-N 0 0 448.548 3.719 50 0 IHAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccco2)c1)NC1CCCCC1 ZINC000033265065 556975059 /nfs/dbraw/zinc/97/50/59/556975059.db2.gz SDDXPGVLMUHTAU-UHFFFAOYSA-N 0 0 438.553 3.936 50 0 IHAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)n2c3ccccc3nc21 ZINC000020103460 556980966 /nfs/dbraw/zinc/98/09/66/556980966.db2.gz QWFAEKGLEBIALO-LJQANCHMSA-N 0 0 426.904 3.951 50 0 IHAARN COCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000097088678 556983586 /nfs/dbraw/zinc/98/35/86/556983586.db2.gz OJKUEAZEKGZWFD-CQSZACIVSA-N 0 0 444.333 3.862 50 0 IHAARN Cc1cc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)ccc1F ZINC000097096260 556984383 /nfs/dbraw/zinc/98/43/83/556984383.db2.gz AVKWRXNIALDXJR-OAHLLOKOSA-N 0 0 426.473 3.775 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097125261 556991107 /nfs/dbraw/zinc/99/11/07/556991107.db2.gz ZMSIXIFXZSYZIV-OAQYLSRUSA-N 0 0 432.307 3.720 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cc(C)ccc4C)CC3)c2c1 ZINC000020177496 556995778 /nfs/dbraw/zinc/99/57/78/556995778.db2.gz DEKTTYXUPKMTCW-UHFFFAOYSA-N 0 0 449.551 3.565 50 0 IHAARN O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000023081977 556998123 /nfs/dbraw/zinc/99/81/23/556998123.db2.gz HOZLCWULPYHHQC-UHFFFAOYSA-N 0 0 431.261 3.894 50 0 IHAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000020223943 557000629 /nfs/dbraw/zinc/00/06/29/557000629.db2.gz OUKOZYKSIXPDSS-UHFFFAOYSA-N 0 0 440.274 3.918 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 ZINC000097994305 557002960 /nfs/dbraw/zinc/00/29/60/557002960.db2.gz HJERPASGLHXMJK-XSFVSMFZSA-N 0 0 429.436 3.665 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c1 ZINC000023125859 557007739 /nfs/dbraw/zinc/00/77/39/557007739.db2.gz MUYDNYRTRSCNAE-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1cc(Cl)ccc1OC ZINC000072453388 557009647 /nfs/dbraw/zinc/00/96/47/557009647.db2.gz PKOURIHOHYTXAB-QGZVFWFLSA-N 0 0 440.887 3.881 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cnc12 ZINC000072272861 557013959 /nfs/dbraw/zinc/01/39/59/557013959.db2.gz RHUBSWHFTVHQGZ-UHFFFAOYSA-N 0 0 437.927 3.870 50 0 IHAARN Fc1cccc(Cl)c1CN1CCN(CCCNc2nccc(C(F)(F)F)n2)CC1 ZINC000020412730 557014081 /nfs/dbraw/zinc/01/40/81/557014081.db2.gz HTWDCKWLOUTSCO-UHFFFAOYSA-N 0 0 431.865 3.908 50 0 IHAARN O=C(CNc1ccc(OC(F)F)c(Cl)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011267007 557015296 /nfs/dbraw/zinc/01/52/96/557015296.db2.gz TWUKTNOCNZSYCP-OAHLLOKOSA-N 0 0 444.887 3.574 50 0 IHAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(F)cc1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000023136712 557019055 /nfs/dbraw/zinc/01/90/55/557019055.db2.gz QAGDVFIBOVMLDW-HNNXBMFYSA-N 0 0 431.489 3.507 50 0 IHAARN COc1ccccc1CNC(=O)Cc1c(C)nc(SCc2cccc(Cl)c2)[nH]c1=O ZINC000023138586 557021663 /nfs/dbraw/zinc/02/16/63/557021663.db2.gz YIBZROIAVHSCCY-UHFFFAOYSA-N 0 0 443.956 3.892 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)c(OC)c1 ZINC000032943805 557021753 /nfs/dbraw/zinc/02/17/53/557021753.db2.gz IWGGLPMEEKHDAI-UHFFFAOYSA-N 0 0 442.946 3.617 50 0 IHAARN COc1cc2ncn(CCCC(=O)N(C)Cc3ccccc3Cl)c(=O)c2cc1OC ZINC000010745905 557023486 /nfs/dbraw/zinc/02/34/86/557023486.db2.gz HXAUUXZNUCOEPO-UHFFFAOYSA-N 0 0 429.904 3.506 50 0 IHAARN COc1cccc2cc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)oc21 ZINC000010747881 557023676 /nfs/dbraw/zinc/02/36/76/557023676.db2.gz KHXWDZVHKVDFRY-UHFFFAOYSA-N 0 0 433.445 3.800 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3cc(Cl)ccc3n2)s1)c1cccs1 ZINC000046031627 557024277 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Cc1cc(=O)c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)nn1-c1ccccc1F ZINC000011276044 557033104 /nfs/dbraw/zinc/03/31/04/557033104.db2.gz INEPZSYJFMBCAN-UHFFFAOYSA-N 0 0 428.288 3.733 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000046123221 557036950 /nfs/dbraw/zinc/03/69/50/557036950.db2.gz YIVJFNBUEWSDDS-OAHLLOKOSA-N 0 0 440.500 3.958 50 0 IHAARN CCn1c2cc(NC(=O)C(C)(C)C)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145889 557044330 /nfs/dbraw/zinc/04/43/30/557044330.db2.gz FKWUQIRGEXDERG-UHFFFAOYSA-N 0 0 429.542 3.660 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000010867976 557044496 /nfs/dbraw/zinc/04/44/96/557044496.db2.gz XFIDZSIULVSEAH-UHFFFAOYSA-N 0 0 443.503 3.932 50 0 IHAARN O=S1(=O)CC[C@@H](Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)C1 ZINC000048234993 557046394 /nfs/dbraw/zinc/04/63/94/557046394.db2.gz LECIUHOOIVNQOF-NSHDSACASA-N 0 0 425.919 3.648 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1Cl ZINC000017295402 557046536 /nfs/dbraw/zinc/04/65/36/557046536.db2.gz KGXWSOPIAGETEE-OAHLLOKOSA-N 0 0 441.915 3.550 50 0 IHAARN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)n1 ZINC000022925888 557048638 /nfs/dbraw/zinc/04/86/38/557048638.db2.gz HREVIVNIJZMOEQ-QFIPXVFZSA-N 0 0 426.536 3.598 50 0 IHAARN Cc1nc2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)ccc2n1-c1ccccc1 ZINC000048249570 557048716 /nfs/dbraw/zinc/04/87/16/557048716.db2.gz TZMKETINOKOKBB-DEOSSOPVSA-N 0 0 440.503 3.830 50 0 IHAARN O=C(NCCCSc1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000048231237 557049015 /nfs/dbraw/zinc/04/90/15/557049015.db2.gz AFGLCKUYWVTNSJ-UHFFFAOYSA-N 0 0 433.537 3.848 50 0 IHAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC)c(O)c3)sc2c1 ZINC000033271628 557049777 /nfs/dbraw/zinc/04/97/77/557049777.db2.gz GFIYRVKNAHIMOZ-CQSZACIVSA-N 0 0 436.493 3.987 50 0 IHAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(O)c(OC)c3)sc2c1 ZINC000033271593 557049812 /nfs/dbraw/zinc/04/98/12/557049812.db2.gz JGHRCFMCZBTBMP-AWEZNQCLSA-N 0 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ZINC000048279843 557057347 /nfs/dbraw/zinc/05/73/47/557057347.db2.gz LZIKCMQEVYOJSM-UHFFFAOYSA-N 0 0 434.521 3.957 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000048285562 557057913 /nfs/dbraw/zinc/05/79/13/557057913.db2.gz JFYNGXPTUCREBZ-KRWDZBQOSA-N 0 0 434.414 3.570 50 0 IHAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCCC[C@@H]2C)cn3C2CC2)CC1 ZINC000051364362 557059147 /nfs/dbraw/zinc/05/91/47/557059147.db2.gz RAVNLFNRZYYARS-KRWDZBQOSA-N 0 0 440.563 3.632 50 0 IHAARN CC(C)c1noc2ncc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000023041542 557059161 /nfs/dbraw/zinc/05/91/61/557059161.db2.gz IIWQGBVAPGECHW-UHFFFAOYSA-N 0 0 435.480 3.853 50 0 IHAARN CSc1nc(C)c(CCC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(C)n1 ZINC000048310003 557060187 /nfs/dbraw/zinc/06/01/87/557060187.db2.gz DNCVLHZWNBJDQH-UHFFFAOYSA-N 0 0 445.564 3.700 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)no1 ZINC000023073685 557061558 /nfs/dbraw/zinc/06/15/58/557061558.db2.gz OLFHFDOAMMOGNV-UHFFFAOYSA-N 0 0 434.374 3.501 50 0 IHAARN Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000023117271 557064445 /nfs/dbraw/zinc/06/44/45/557064445.db2.gz GFGAQGHXWSNHKX-UHFFFAOYSA-N 0 0 427.526 3.683 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287499 557064878 /nfs/dbraw/zinc/06/48/78/557064878.db2.gz YAQALJZLFURRCA-UHFFFAOYSA-N 0 0 436.537 3.956 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)cc3C)n(C)c(=O)c1n2C ZINC000033287732 557064999 /nfs/dbraw/zinc/06/49/99/557064999.db2.gz SPVHTTYQANJYQG-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN COc1cccc(-n2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)c1 ZINC000023126499 557065466 /nfs/dbraw/zinc/06/54/66/557065466.db2.gz VIZHLXJHADDMRU-UHFFFAOYSA-N 0 0 440.415 3.840 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000048313527 557067519 /nfs/dbraw/zinc/06/75/19/557067519.db2.gz DCDDIYRYALKSPF-FQEVSTJZSA-N 0 0 427.526 3.666 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000033282241 557067757 /nfs/dbraw/zinc/06/77/57/557067757.db2.gz AGVWOHZANIQFJF-OAQYLSRUSA-N 0 0 435.549 3.782 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c(C)c1 ZINC000033282733 557068067 /nfs/dbraw/zinc/06/80/67/557068067.db2.gz RLCNXLSLTQTTFB-UHFFFAOYSA-N 0 0 425.554 3.501 50 0 IHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000048333824 557068470 /nfs/dbraw/zinc/06/84/70/557068470.db2.gz FCNWLRYGYLFNOF-UHFFFAOYSA-N 0 0 438.879 3.810 50 0 IHAARN O=C(NCc1cccnc1-n1cncn1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000048326799 557069189 /nfs/dbraw/zinc/06/91/89/557069189.db2.gz ZGONRLGNMFMIPZ-UHFFFAOYSA-N 0 0 437.479 3.642 50 0 IHAARN C[C@@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccc(Cl)cc4F)c23)C1 ZINC000033289438 557070954 /nfs/dbraw/zinc/07/09/54/557070954.db2.gz GGSASYHWNVZAGO-SNVBAGLBSA-N 0 0 445.907 3.662 50 0 IHAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccccc4)c23)C1 ZINC000033289461 557071051 /nfs/dbraw/zinc/07/10/51/557071051.db2.gz KGIYTTXYWASIAW-AWEZNQCLSA-N 0 0 435.553 3.895 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)n2)cc1 ZINC000048346090 557071825 /nfs/dbraw/zinc/07/18/25/557071825.db2.gz PRFUQKDDDRFGKP-UHFFFAOYSA-N 0 0 430.489 3.694 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](c1ccccc1)n1cccn1 ZINC000048356007 557072917 /nfs/dbraw/zinc/07/29/17/557072917.db2.gz LITWZLVBSSKGEV-HXUWFJFHSA-N 0 0 444.944 3.549 50 0 IHAARN CCOC(=O)Cc1nnc(SCc2csc(-c3ccccn3)n2)n1Cc1ccco1 ZINC000023200400 557072916 /nfs/dbraw/zinc/07/29/16/557072916.db2.gz WRNNYJKAXHRBBV-UHFFFAOYSA-N 0 0 441.538 3.836 50 0 IHAARN O=S(=O)(c1cccn2c(SCc3cccc(C(F)(F)F)c3)nnc12)N1CCCC1 ZINC000033300326 557079428 /nfs/dbraw/zinc/07/94/28/557079428.db2.gz FNFUULCNPLYJQR-UHFFFAOYSA-N 0 0 442.488 3.825 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000023266445 557081154 /nfs/dbraw/zinc/08/11/54/557081154.db2.gz LTLWFIFFYDVNEJ-MRXNPFEDSA-N 0 0 430.545 3.824 50 0 IHAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)n3n2)cc1 ZINC000049001653 557081137 /nfs/dbraw/zinc/08/11/37/557081137.db2.gz QIPDYLHFYOWPAN-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccccc3F)c2n1 ZINC000049002007 557081446 /nfs/dbraw/zinc/08/14/46/557081446.db2.gz YWFRWNGQJQYIKM-UHFFFAOYSA-N 0 0 430.439 3.735 50 0 IHAARN CCc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4)c3=O)n2)cc1 ZINC000048987542 557082853 /nfs/dbraw/zinc/08/28/53/557082853.db2.gz WPCSCNKEUJXKHF-UHFFFAOYSA-N 0 0 430.489 3.875 50 0 IHAARN O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000049008979 557086859 /nfs/dbraw/zinc/08/68/59/557086859.db2.gz BSQHDZRUYDTOHX-UHFFFAOYSA-N 0 0 435.912 3.747 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)c1 ZINC000049008947 557086892 /nfs/dbraw/zinc/08/68/92/557086892.db2.gz FMDFUFAEPICREP-UHFFFAOYSA-N 0 0 429.571 3.676 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O ZINC000049008734 557086909 /nfs/dbraw/zinc/08/69/09/557086909.db2.gz AAJLVWLTYJQKAA-UHFFFAOYSA-N 0 0 444.278 3.937 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@H]3CCO4)CC2=O)cc1 ZINC000049030384 557088960 /nfs/dbraw/zinc/08/89/60/557088960.db2.gz VZGZZJNGJVZKGQ-QUCCMNQESA-N 0 0 447.535 3.764 50 0 IHAARN Cc1ccc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)cc1 ZINC000049002236 557089924 /nfs/dbraw/zinc/08/99/24/557089924.db2.gz SLEJPHJFFGGCDL-UHFFFAOYSA-N 0 0 432.524 3.524 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3C)no2)c1=O ZINC000049002546 557090251 /nfs/dbraw/zinc/09/02/51/557090251.db2.gz VWKQMDVQYIRVJA-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN O=C(CCN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023389042 557090286 /nfs/dbraw/zinc/09/02/86/557090286.db2.gz XGPVLFFSVRKXOA-RUZDIDTESA-N 0 0 426.476 3.584 50 0 IHAARN Cc1ccccc1-c1noc(-c2cccn(CC(=O)NCc3ccccc3Cl)c2=O)n1 ZINC000049002601 557090428 /nfs/dbraw/zinc/09/04/28/557090428.db2.gz YGHHGUHLLQZBGK-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN CCOc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000049003140 557090659 /nfs/dbraw/zinc/09/06/59/557090659.db2.gz MFLQHKDITMVILR-UHFFFAOYSA-N 0 0 425.916 3.885 50 0 IHAARN CN(C)C(=O)[C@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017481235 557090892 /nfs/dbraw/zinc/09/08/92/557090892.db2.gz VPUDWZBAYCHJMV-XMMPIXPASA-N 0 0 440.503 3.980 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1Cl ZINC000049003218 557091091 /nfs/dbraw/zinc/09/10/91/557091091.db2.gz SBWYWXBBXVFBQK-UHFFFAOYSA-N 0 0 425.916 3.804 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023425961 557092153 /nfs/dbraw/zinc/09/21/53/557092153.db2.gz OAIJKZMXVXXFML-UHFFFAOYSA-N 0 0 434.561 3.985 50 0 IHAARN O=C(Nc1ccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1)NC1CCCCC1 ZINC000033310194 557093539 /nfs/dbraw/zinc/09/35/39/557093539.db2.gz ZEIFKGSHKTVVPG-UHFFFAOYSA-N 0 0 441.576 3.911 50 0 IHAARN Cc1nc(C2(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CCCCC2)no1 ZINC000023508307 557095180 /nfs/dbraw/zinc/09/51/80/557095180.db2.gz IEUTUQWAXZKUCF-UHFFFAOYSA-N 0 0 437.466 3.984 50 0 IHAARN Cc1c(O)ccc2c(CSc3nnc([C@H]4COc5ccccc5O4)n3C)cc(=O)oc12 ZINC000023524359 557095904 /nfs/dbraw/zinc/09/59/04/557095904.db2.gz HPWQCOTWBAXWJE-GOSISDBHSA-N 0 0 437.477 3.740 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1cccc(OC)c1 ZINC000049400976 557096614 /nfs/dbraw/zinc/09/66/14/557096614.db2.gz UGAMIIFQSLQPLZ-UHFFFAOYSA-N 0 0 444.491 3.788 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000033312940 557097939 /nfs/dbraw/zinc/09/79/39/557097939.db2.gz HNXHQJAZPUOKQU-MRXNPFEDSA-N 0 0 427.448 3.599 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 ZINC000023565076 557099154 /nfs/dbraw/zinc/09/91/54/557099154.db2.gz YTMDZORGXRSVQK-SECBINFHSA-N 0 0 425.297 3.734 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc2ccccc2c1 ZINC000049406022 557101247 /nfs/dbraw/zinc/10/12/47/557101247.db2.gz ALDRJPKGSFRFBD-UHFFFAOYSA-N 0 0 443.482 3.594 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccnn1C1CCCC1 ZINC000023632336 557101495 /nfs/dbraw/zinc/10/14/95/557101495.db2.gz IRUKTOOMLJAITO-HNNXBMFYSA-N 0 0 441.557 3.646 50 0 IHAARN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccc(Cl)cc1 ZINC000049406607 557101911 /nfs/dbraw/zinc/10/19/11/557101911.db2.gz RZBGKUDPRXENKU-UHFFFAOYSA-N 0 0 426.879 3.904 50 0 IHAARN CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000072191893 557102175 /nfs/dbraw/zinc/10/21/75/557102175.db2.gz IFPNGOUZCAYVMX-AWEZNQCLSA-N 0 0 444.586 3.612 50 0 IHAARN COc1cccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000049408579 557103691 /nfs/dbraw/zinc/10/36/91/557103691.db2.gz WRULAWMVKDDIQI-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)cc1 ZINC000049409747 557104967 /nfs/dbraw/zinc/10/49/67/557104967.db2.gz UMDCDBXDWXAOQM-UHFFFAOYSA-N 0 0 432.455 3.588 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)cc1 ZINC000033321016 557105789 /nfs/dbraw/zinc/10/57/89/557105789.db2.gz WZUMNDZEFSUGDW-UHFFFAOYSA-N 0 0 446.482 3.946 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)c(C)c4)n3c2=O)cc1 ZINC000049410735 557106114 /nfs/dbraw/zinc/10/61/14/557106114.db2.gz DGFBUHBRHOJHKD-UHFFFAOYSA-N 0 0 434.475 3.592 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325460 557107476 /nfs/dbraw/zinc/10/74/76/557107476.db2.gz SNTSMQGCBIHEPS-HNNXBMFYSA-N 0 0 431.539 3.622 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000049421324 557107818 /nfs/dbraw/zinc/10/78/18/557107818.db2.gz HGLRQBNUMRZUNV-GDBMZVCRSA-N 0 0 440.569 3.791 50 0 IHAARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000409414588 557109997 /nfs/dbraw/zinc/10/99/97/557109997.db2.gz NBTROFSCVGZXIP-FQEVSTJZSA-N 0 0 436.537 3.688 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000010922734 557110862 /nfs/dbraw/zinc/11/08/62/557110862.db2.gz YHLWMKDNIOBWNM-UHFFFAOYSA-N 0 0 432.611 3.857 50 0 IHAARN COc1cc(N2c3c(sc(=O)n3C)[C@@H](c3ccccc3)CC2=O)cc(OC)c1OC ZINC000049544921 557111127 /nfs/dbraw/zinc/11/11/27/557111127.db2.gz HEWSYOQOAZMDMV-OAHLLOKOSA-N 0 0 426.494 3.673 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000049545720 557111515 /nfs/dbraw/zinc/11/15/15/557111515.db2.gz IUKDIFOGSCLRAD-INIZCTEOSA-N 0 0 440.341 3.810 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1cc(F)c(F)c(F)c1)C(=O)C[C@@H]2c1ccccc1 ZINC000049546288 557111702 /nfs/dbraw/zinc/11/17/02/557111702.db2.gz FCVITRRNJMUFQK-CYBMUJFWSA-N 0 0 448.422 3.700 50 0 IHAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCN(Cc2cccs2)CC1 ZINC000023735517 557111996 /nfs/dbraw/zinc/11/19/96/557111996.db2.gz SRIRUJWGEJHPFE-UHFFFAOYSA-N 0 0 445.544 3.502 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl ZINC000585152227 557112456 /nfs/dbraw/zinc/11/24/56/557112456.db2.gz CMKXHJZMSYXCSU-LBPRGKRZSA-N 0 0 425.276 3.687 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(CC(C)C)s2)C12CCCC2 ZINC000049550837 557113336 /nfs/dbraw/zinc/11/33/36/557113336.db2.gz XIDSAVUSFMINMI-IBGZPJMESA-N 0 0 442.585 3.874 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(OC)cc1OC ZINC000049551585 557113540 /nfs/dbraw/zinc/11/35/40/557113540.db2.gz LVUKSXKWTNQYME-SFHVURJKSA-N 0 0 436.468 3.885 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011363734 557113650 /nfs/dbraw/zinc/11/36/50/557113650.db2.gz PVQLNCVOJKJJPT-LSDHHAIUSA-N 0 0 427.501 3.834 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NCC3CCN(C(=O)Oc4ccccc4)CC3)c2O1 ZINC000049523058 557114491 /nfs/dbraw/zinc/11/44/91/557114491.db2.gz SYIAORACLIZETB-UHFFFAOYSA-N 0 0 438.524 3.806 50 0 IHAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023818644 557118384 /nfs/dbraw/zinc/11/83/84/557118384.db2.gz YTWLBVRKHMUOEJ-UHFFFAOYSA-N 0 0 446.532 3.506 50 0 IHAARN COc1ccc(-c2nc(CC(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 ZINC000023819119 557118721 /nfs/dbraw/zinc/11/87/21/557118721.db2.gz RUMQAPXQPWHQFF-UHFFFAOYSA-N 0 0 429.586 3.513 50 0 IHAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000023822534 557119336 /nfs/dbraw/zinc/11/93/36/557119336.db2.gz YQDKLWZMHLEYFZ-OAQYLSRUSA-N 0 0 427.548 3.739 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2Br)n1 ZINC000001110266 557121357 /nfs/dbraw/zinc/12/13/57/557121357.db2.gz FOEHXXDDGVUIQZ-UHFFFAOYSA-N 0 0 433.711 3.682 50 0 IHAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 ZINC000023880999 557122647 /nfs/dbraw/zinc/12/26/47/557122647.db2.gz QNGABUCUWDIVBY-LJQANCHMSA-N 0 0 435.597 3.616 50 0 IHAARN O=C(CSc1cnc2ccccc2n1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024714592 557125959 /nfs/dbraw/zinc/12/59/59/557125959.db2.gz SQIQDSMSTRKJMB-UHFFFAOYSA-N 0 0 434.502 3.688 50 0 IHAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023935798 557126477 /nfs/dbraw/zinc/12/64/77/557126477.db2.gz FEGYSVJIJVVJPK-UHFFFAOYSA-N 0 0 427.551 3.867 50 0 IHAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)c2cc1C ZINC000089608959 557126531 /nfs/dbraw/zinc/12/65/31/557126531.db2.gz UATZRRNDSRTDRA-UHFFFAOYSA-N 0 0 446.956 3.570 50 0 IHAARN CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1)c1ccccc1 ZINC000023939891 557126880 /nfs/dbraw/zinc/12/68/80/557126880.db2.gz BYQROUKGMUSWPT-JOCHJYFZSA-N 0 0 446.459 3.633 50 0 IHAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000023947174 557126990 /nfs/dbraw/zinc/12/69/90/557126990.db2.gz SEGQBQKQYJXPPM-QGZVFWFLSA-N 0 0 435.480 3.567 50 0 IHAARN O=C(COc1ccc2cc(Br)ccc2c1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000655441 557129503 /nfs/dbraw/zinc/12/95/03/557129503.db2.gz JMPFJANCNWEEDH-KRWDZBQOSA-N 0 0 449.198 3.788 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc12 ZINC000023995197 557130931 /nfs/dbraw/zinc/13/09/31/557130931.db2.gz VWXDFOXFYVWXAH-UHFFFAOYSA-N 0 0 438.597 3.955 50 0 IHAARN CC(C)C(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000010935971 557133850 /nfs/dbraw/zinc/13/38/50/557133850.db2.gz GNSBZOIJNSIKSY-UHFFFAOYSA-N 0 0 435.571 3.770 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000000676325 557134017 /nfs/dbraw/zinc/13/40/17/557134017.db2.gz PUTXYCCTXCXXAX-UHFFFAOYSA-N 0 0 447.875 3.851 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc(Cl)c1OC(C)=O ZINC000000677047 557134094 /nfs/dbraw/zinc/13/40/94/557134094.db2.gz LRSWYANUPQMKCQ-VIZOYTHASA-N 0 0 429.812 3.737 50 0 IHAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1cnccn1 ZINC000000695947 557137453 /nfs/dbraw/zinc/13/74/53/557137453.db2.gz GDJWTDILONHADK-UHFFFAOYSA-N 0 0 430.873 3.791 50 0 IHAARN CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000000706244 557139884 /nfs/dbraw/zinc/13/98/84/557139884.db2.gz XSCQSEUYQUNHOC-PGAZUGQPSA-N 0 0 425.484 3.628 50 0 IHAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000024195242 557140337 /nfs/dbraw/zinc/14/03/37/557140337.db2.gz WFQRMASGXJQIGI-IBGZPJMESA-N 0 0 439.899 3.575 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024258539 557142026 /nfs/dbraw/zinc/14/20/26/557142026.db2.gz GEUUYUAOOFQBON-UHFFFAOYSA-N 0 0 435.471 3.760 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 ZINC000011406609 557142195 /nfs/dbraw/zinc/14/21/95/557142195.db2.gz VWUYDLBNDDXOQZ-MRXNPFEDSA-N 0 0 432.480 3.501 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)c3cc(Cl)c4c(c3)OCCO4)cc(=O)oc2c1 ZINC000024271556 557142671 /nfs/dbraw/zinc/14/26/71/557142671.db2.gz ZXIJITRQHHUDIC-UHFFFAOYSA-N 0 0 429.812 3.533 50 0 IHAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)C1=O ZINC000024277794 557142959 /nfs/dbraw/zinc/14/29/59/557142959.db2.gz PCEAAAHNZWMTKB-URXFXBBRSA-N 0 0 437.565 3.553 50 0 IHAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3ccccn32)cc1 ZINC000024333286 557144191 /nfs/dbraw/zinc/14/41/91/557144191.db2.gz KBDNGVRXYBRBMT-UHFFFAOYSA-N 0 0 438.491 3.580 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000024503343 557149068 /nfs/dbraw/zinc/14/90/68/557149068.db2.gz RHECXCCMBKZYEH-SFHVURJKSA-N 0 0 440.503 3.868 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C ZINC000011456263 557150762 /nfs/dbraw/zinc/15/07/62/557150762.db2.gz JUPTYSAZLQNXDB-UHFFFAOYSA-N 0 0 426.441 3.918 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccco4)cc3)n(C)n2)c1 ZINC000585147987 557151173 /nfs/dbraw/zinc/15/11/73/557151173.db2.gz LKOHNDDWQUCALK-JOCHJYFZSA-N 0 0 447.491 3.828 50 0 IHAARN Cc1csc(CC(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)n1 ZINC000024574298 557151397 /nfs/dbraw/zinc/15/13/97/557151397.db2.gz ZMRVTNVWKIYRLX-UHFFFAOYSA-N 0 0 434.565 3.591 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 ZINC000024576525 557151822 /nfs/dbraw/zinc/15/18/22/557151822.db2.gz ZCIBRTNFITWCKX-CVEARBPZSA-N 0 0 427.530 3.792 50 0 IHAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCc1nc2ccccc2[nH]1 ZINC000011486311 557153039 /nfs/dbraw/zinc/15/30/39/557153039.db2.gz MLTUMMGMAIWTTP-UHFFFAOYSA-N 0 0 425.539 3.625 50 0 IHAARN Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000024607034 557153377 /nfs/dbraw/zinc/15/33/77/557153377.db2.gz UQVRNQBIDBJPPI-GOSISDBHSA-N 0 0 438.640 3.507 50 0 IHAARN CSCc1nc(=O)c2c(C)c(C(=O)NCc3ccc(OC(F)F)cc3)sc2[nH]1 ZINC000011508536 557155331 /nfs/dbraw/zinc/15/53/31/557155331.db2.gz OVETYFYBJKSBNA-UHFFFAOYSA-N 0 0 425.482 3.687 50 0 IHAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(OC(F)F)cc1 ZINC000011506085 557155358 /nfs/dbraw/zinc/15/53/58/557155358.db2.gz RKDJHKKCBGGSSN-UHFFFAOYSA-N 0 0 433.480 3.714 50 0 IHAARN Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613359 557155742 /nfs/dbraw/zinc/15/57/42/557155742.db2.gz FPJJMRMLFOQBAG-UHFFFAOYSA-N 0 0 438.952 3.646 50 0 IHAARN CCOc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000024634821 557156703 /nfs/dbraw/zinc/15/67/03/557156703.db2.gz BFXDCJUSMGKKGP-UHFFFAOYSA-N 0 0 426.904 3.747 50 0 IHAARN COc1ccccc1Oc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 ZINC000011515650 557156874 /nfs/dbraw/zinc/15/68/74/557156874.db2.gz QAKOXJRLDJFYKD-UHFFFAOYSA-N 0 0 432.523 3.856 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)C1CCOCC1 ZINC000024645671 557157002 /nfs/dbraw/zinc/15/70/02/557157002.db2.gz HNDUBTFPNQBEIU-UHFFFAOYSA-N 0 0 442.581 3.695 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(Nc3ncccn3)c2)cc1OCC ZINC000024648865 557157313 /nfs/dbraw/zinc/15/73/13/557157313.db2.gz RZXORSWZBWBDNE-UHFFFAOYSA-N 0 0 449.511 3.728 50 0 IHAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000024748997 557162002 /nfs/dbraw/zinc/16/20/02/557162002.db2.gz ZCMFUKFTIJDTLY-MCSIRMTHSA-N 0 0 448.611 3.905 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000024749654 557162116 /nfs/dbraw/zinc/16/21/16/557162116.db2.gz CJINDXSGXRAVNG-NRFANRHFSA-N 0 0 447.603 3.708 50 0 IHAARN COc1cc(C(=O)NCCc2nnc3ccccn32)ccc1OCc1ccccc1Cl ZINC000011546156 557162938 /nfs/dbraw/zinc/16/29/38/557162938.db2.gz VCDCRYWUAFWXPR-UHFFFAOYSA-N 0 0 436.899 3.943 50 0 IHAARN Cc1cccn2cc(COC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)nc12 ZINC000024761152 557164336 /nfs/dbraw/zinc/16/43/36/557164336.db2.gz IKEVMBYLKVBELA-JOCHJYFZSA-N 0 0 439.471 3.593 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc32)CC1 ZINC000024769530 557165630 /nfs/dbraw/zinc/16/56/30/557165630.db2.gz ZUYAKGUCNSHBGW-HXUWFJFHSA-N 0 0 445.563 3.635 50 0 IHAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000003154746 557166699 /nfs/dbraw/zinc/16/66/99/557166699.db2.gz WTNSLNVIBVIEDC-UHFFFAOYSA-N 0 0 428.536 3.885 50 0 biogenic IHAARN COc1ccc(-c2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)sc2C)cc1 ZINC000024782348 557167780 /nfs/dbraw/zinc/16/77/80/557167780.db2.gz BMJFHROFADHDFM-UHFFFAOYSA-N 0 0 445.566 3.695 50 0 IHAARN O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1ccc(Br)o1 ZINC000206986144 557168881 /nfs/dbraw/zinc/16/88/81/557168881.db2.gz HGJCRXSRALSKDW-UHFFFAOYSA-N 0 0 433.331 3.959 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024863879 557172800 /nfs/dbraw/zinc/17/28/00/557172800.db2.gz CAHHAZNIZRAUCU-UHFFFAOYSA-N 0 0 438.490 3.697 50 0 IHAARN CC(C)c1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c2cnn(C(C)C)c2n1 ZINC000024846175 557174247 /nfs/dbraw/zinc/17/42/47/557174247.db2.gz QBHAAVNFYLYGII-UHFFFAOYSA-N 0 0 434.496 3.979 50 0 IHAARN CCCCn1nc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)ccc1=O ZINC000024878624 557176249 /nfs/dbraw/zinc/17/62/49/557176249.db2.gz KWUSCXOYEIZGPY-UHFFFAOYSA-N 0 0 444.488 3.681 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000024925477 557179689 /nfs/dbraw/zinc/17/96/89/557179689.db2.gz IXFFNJMRENZJDE-UHFFFAOYSA-N 0 0 445.310 3.577 50 0 IHAARN O=c1cc(CSCc2nc(-c3ccccc3)no2)nc2ccc(Br)cn12 ZINC000024943467 557181728 /nfs/dbraw/zinc/18/17/28/557181728.db2.gz JLDBSTFCJSNMPF-UHFFFAOYSA-N 0 0 429.299 3.940 50 0 IHAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccs2)no1 ZINC000024981701 557185605 /nfs/dbraw/zinc/18/56/05/557185605.db2.gz STHPAUHQDWPKHB-QHCPKHFHSA-N 0 0 430.489 3.988 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000024985853 557186420 /nfs/dbraw/zinc/18/64/20/557186420.db2.gz VCFWHPAKPRPGMI-UHFFFAOYSA-N 0 0 434.565 3.769 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024988653 557187037 /nfs/dbraw/zinc/18/70/37/557187037.db2.gz LPZLDYPCVAINAB-UHFFFAOYSA-N 0 0 431.945 3.524 50 0 IHAARN O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COc1ccc(Br)cc1 ZINC000024991286 557187668 /nfs/dbraw/zinc/18/76/68/557187668.db2.gz MULGNHXEVALLEM-GFCCVEGCSA-N 0 0 444.112 3.906 50 0 IHAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c(C)c1 ZINC000098004250 557189496 /nfs/dbraw/zinc/18/94/96/557189496.db2.gz RFLNVHHPQXIQSI-XSFVSMFZSA-N 0 0 429.436 3.665 50 0 IHAARN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@@H](O)COCc1ccccc1F ZINC000025045430 557190281 /nfs/dbraw/zinc/19/02/81/557190281.db2.gz NEHBOIRASAODJY-QGZVFWFLSA-N 0 0 428.460 3.981 50 0 IHAARN CC(=O)N(c1nnc(SCC(=O)Nc2ccccc2OCC(F)(F)F)s1)C1CC1 ZINC000025048224 557190860 /nfs/dbraw/zinc/19/08/60/557190860.db2.gz IJMFBXLIRFWFNG-UHFFFAOYSA-N 0 0 446.476 3.725 50 0 IHAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000025062737 557193648 /nfs/dbraw/zinc/19/36/48/557193648.db2.gz QIDSLLBLIABCAW-LJQANCHMSA-N 0 0 449.532 3.600 50 0 IHAARN COCCn1c2ccccc2s/c1=N\C(=O)c1ccccc1I ZINC000100872482 557193741 /nfs/dbraw/zinc/19/37/41/557193741.db2.gz JZQAQCUZFZDXBC-ZPHPHTNESA-N 0 0 438.290 3.695 50 0 IHAARN CCN(CC)C(=O)COc1ccc(NC(=O)CNC(=O)Nc2cccc(C)c2)cc1Cl ZINC000025123940 557195934 /nfs/dbraw/zinc/19/59/34/557195934.db2.gz FQGFUXJWZCATFK-UHFFFAOYSA-N 0 0 446.935 3.656 50 0 IHAARN COC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100876399 557197743 /nfs/dbraw/zinc/19/77/43/557197743.db2.gz ZEJVIOWFXKYFPW-VZCXRCSSSA-N 0 0 433.327 3.698 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(=O)N[C@H](C)c1ccccc1 ZINC000096318021 557199101 /nfs/dbraw/zinc/19/91/01/557199101.db2.gz DMMLKGZTGFWWSN-QGZVFWFLSA-N 0 0 447.922 3.992 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(Br)cc2Cl)n1 ZINC000010060471 557201128 /nfs/dbraw/zinc/20/11/28/557201128.db2.gz YVVJPGPPKOGPMQ-UHFFFAOYSA-N 0 0 433.711 3.682 50 0 IHAARN COc1ccccc1Nc1ncccc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025327127 557204251 /nfs/dbraw/zinc/20/42/51/557204251.db2.gz OLZFADOIMCHFTP-UHFFFAOYSA-N 0 0 430.508 4.000 50 0 IHAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013984294 557204570 /nfs/dbraw/zinc/20/45/70/557204570.db2.gz UATKVMOISMGWDH-UHFFFAOYSA-N 0 0 442.531 3.975 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000011590050 557205156 /nfs/dbraw/zinc/20/51/56/557205156.db2.gz KPUQXYTXXKAKRK-GOSISDBHSA-N 0 0 447.535 3.650 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1 ZINC000025353284 557205702 /nfs/dbraw/zinc/20/57/02/557205702.db2.gz MZVINYYLHZGVEN-UHFFFAOYSA-N 0 0 444.460 3.693 50 0 IHAARN CC(C)(C)c1csc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)n1 ZINC000025447205 557210030 /nfs/dbraw/zinc/21/00/30/557210030.db2.gz QJXLHJKBSUAMQO-UHFFFAOYSA-N 0 0 446.392 3.510 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169779755 557212339 /nfs/dbraw/zinc/21/23/39/557212339.db2.gz XYXJQMANWWCUGE-UHFFFAOYSA-N 0 0 430.430 3.908 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1NS(C)(=O)=O ZINC000025600018 557218441 /nfs/dbraw/zinc/21/84/41/557218441.db2.gz HMMIVKZURIGYPP-UHFFFAOYSA-N 0 0 447.538 3.663 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000011642826 557219206 /nfs/dbraw/zinc/21/92/06/557219206.db2.gz POJPMNJPIUYUKV-UHFFFAOYSA-N 0 0 432.501 3.935 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000025612373 557219358 /nfs/dbraw/zinc/21/93/58/557219358.db2.gz SLBCGRVGLXZRNB-JQZCCEMDSA-N 0 0 426.557 3.700 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 ZINC000011646464 557219473 /nfs/dbraw/zinc/21/94/73/557219473.db2.gz XDDJYEFKAXXSPM-XMMPIXPASA-N 0 0 434.492 3.726 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)c(F)c1 ZINC000010993914 557220047 /nfs/dbraw/zinc/22/00/47/557220047.db2.gz MQRCFYYUSJMVDV-SFHVURJKSA-N 0 0 425.441 3.628 50 0 IHAARN COc1cc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 ZINC000025622503 557220062 /nfs/dbraw/zinc/22/00/62/557220062.db2.gz NANJEQQGVBRPBT-YADARESESA-N 0 0 440.565 3.687 50 0 IHAARN O=C(NCc1ccccc1OC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000010995577 557220538 /nfs/dbraw/zinc/22/05/38/557220538.db2.gz UVETZOOGFDHDHN-UHFFFAOYSA-N 0 0 442.459 3.690 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000010996127 557220894 /nfs/dbraw/zinc/22/08/94/557220894.db2.gz KAGNOJVEKCZNTK-UHFFFAOYSA-N 0 0 429.314 3.939 50 0 IHAARN NC(=O)Cc1csc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000011000577 557222339 /nfs/dbraw/zinc/22/23/39/557222339.db2.gz CALUIMDWNUXIDS-UHFFFAOYSA-N 0 0 425.297 3.704 50 0 IHAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)COc2ccc(OC)cc2)cc1 ZINC000032949330 557222723 /nfs/dbraw/zinc/22/27/23/557222723.db2.gz OWXWDGWQRAZULO-FQEVSTJZSA-N 0 0 449.503 3.782 50 0 biogenic IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCNC(=O)OC(C)(C)C ZINC000011653345 557223786 /nfs/dbraw/zinc/22/37/86/557223786.db2.gz DWHCVRBWDRQSBW-UHFFFAOYSA-N 0 0 443.500 3.809 50 0 IHAARN Cc1cc(=O)n2nc(CSc3nccn3-c3ccc(Br)cc3)sc2n1 ZINC000025742722 557223887 /nfs/dbraw/zinc/22/38/87/557223887.db2.gz TUTCGEXUJYQNOU-UHFFFAOYSA-N 0 0 434.344 3.700 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000010928751 557226142 /nfs/dbraw/zinc/22/61/42/557226142.db2.gz QHDYZQGMRCNQPM-MRXNPFEDSA-N 0 0 442.537 3.935 50 0 IHAARN O=C(COC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)NCc1ccco1 ZINC000025785636 557226848 /nfs/dbraw/zinc/22/68/48/557226848.db2.gz HZLCEAHWNLLOBE-UHFFFAOYSA-N 0 0 425.828 3.852 50 0 IHAARN O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCN(c2cnccn2)CC1 ZINC000025835981 557228047 /nfs/dbraw/zinc/22/80/47/557228047.db2.gz RLTCWFAUBFHFBQ-UHFFFAOYSA-N 0 0 429.455 3.900 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccccc2)nc2cccnc21 ZINC000032949679 557228127 /nfs/dbraw/zinc/22/81/27/557228127.db2.gz NDKXHCWXIXOBSS-UHFFFAOYSA-N 0 0 442.928 3.739 50 0 IHAARN C[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000011363846 557228394 /nfs/dbraw/zinc/22/83/94/557228394.db2.gz PIUYPXUTSDKKIW-LNLFQRSKSA-N 0 0 437.565 3.934 50 0 IHAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(I)c1 ZINC000011529013 557229711 /nfs/dbraw/zinc/22/97/11/557229711.db2.gz CPQCVUOAUMBYAZ-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000011590180 557229790 /nfs/dbraw/zinc/22/97/90/557229790.db2.gz DPBYHAOFVIBJMN-UHFFFAOYSA-N 0 0 443.450 3.589 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000025956358 557230964 /nfs/dbraw/zinc/23/09/64/557230964.db2.gz CACFMTIMCKDEGP-PXDATVDWSA-N 0 0 446.576 3.952 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1cc2c(c(Cl)c1)OCO2 ZINC000025995697 557231969 /nfs/dbraw/zinc/23/19/69/557231969.db2.gz CSFAIVMLHCWIGE-UHFFFAOYSA-N 0 0 446.912 3.852 50 0 IHAARN C[C@@H](c1nnc(SCCn2c(=O)oc3ccccc32)n1-c1ccc(F)cc1)N(C)C ZINC000026011222 557232249 /nfs/dbraw/zinc/23/22/49/557232249.db2.gz YNPUEPUFFSJHRG-AWEZNQCLSA-N 0 0 427.505 3.729 50 0 IHAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cc5ccccc5oc4=O)c3)cn2n1 ZINC000011693550 557232571 /nfs/dbraw/zinc/23/25/71/557232571.db2.gz DNJCYTMUTMQZNV-UHFFFAOYSA-N 0 0 430.395 3.903 50 0 IHAARN C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018047769 557233687 /nfs/dbraw/zinc/23/36/87/557233687.db2.gz JLTNLSLAHVFZCL-AWEZNQCLSA-N 0 0 447.276 3.733 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000018045151 557234668 /nfs/dbraw/zinc/23/46/68/557234668.db2.gz LDMUUXGTKPPKST-UHFFFAOYSA-N 0 0 444.251 3.834 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C2CC2)cc1 ZINC000026113700 557234827 /nfs/dbraw/zinc/23/48/27/557234827.db2.gz CQMPRJZTAQRRHU-QHCPKHFHSA-N 0 0 447.535 3.501 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211497 557235154 /nfs/dbraw/zinc/23/51/54/557235154.db2.gz XJRLMGQOPGAKHZ-UHFFFAOYSA-N 0 0 432.436 3.971 50 0 IHAARN Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000032950320 557235160 /nfs/dbraw/zinc/23/51/60/557235160.db2.gz JVXRXLVWVKBEPQ-UHFFFAOYSA-N 0 0 435.347 3.528 50 0 IHAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121677 557235229 /nfs/dbraw/zinc/23/52/29/557235229.db2.gz UYZKILAEYXYFAY-UHFFFAOYSA-N 0 0 443.345 3.903 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)s1 ZINC000026312746 557239073 /nfs/dbraw/zinc/23/90/73/557239073.db2.gz KCQLDNFBVNXDTG-AWEZNQCLSA-N 0 0 434.461 3.747 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000100099220 557240478 /nfs/dbraw/zinc/24/04/78/557240478.db2.gz OVBWAYNHSDJTBX-INIZCTEOSA-N 0 0 438.814 3.775 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000100095685 557240495 /nfs/dbraw/zinc/24/04/95/557240495.db2.gz XUSFXPXSULHEJY-FQEVSTJZSA-N 0 0 432.351 3.752 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100095814 557240516 /nfs/dbraw/zinc/24/05/16/557240516.db2.gz HXFHNYJDUMJNIG-JOCHJYFZSA-N 0 0 441.959 3.579 50 0 IHAARN O=C(NCc1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1)Nc1cccc(Cl)c1 ZINC000583649848 557240662 /nfs/dbraw/zinc/24/06/62/557240662.db2.gz YFSFQGBUZYFKMX-OAHLLOKOSA-N 0 0 425.876 3.561 50 0 IHAARN C[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)N1CCCc2ccccc21 ZINC000026412981 557240787 /nfs/dbraw/zinc/24/07/87/557240787.db2.gz JTRWOYVYTLFPJX-OAHLLOKOSA-N 0 0 426.900 3.992 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000026492845 557242544 /nfs/dbraw/zinc/24/25/44/557242544.db2.gz MTEGISDUBFIYQO-JTQLQIEISA-N 0 0 446.392 3.617 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)C3CCC(C(C)(C)C)CC3)ccc21 ZINC000013988385 557243083 /nfs/dbraw/zinc/24/30/83/557243083.db2.gz ZNZKUMRINZVTHV-UHFFFAOYSA-N 0 0 435.586 3.977 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(Cc2cccs2)CC1 ZINC000018147727 557243229 /nfs/dbraw/zinc/24/32/29/557243229.db2.gz FTSAIMHPUOJVSS-UHFFFAOYSA-N 0 0 447.560 3.622 50 0 IHAARN O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCN(c2ccccc2F)CC1 ZINC000072264769 557246819 /nfs/dbraw/zinc/24/68/19/557246819.db2.gz HEDOMPZCXDOSHR-UHFFFAOYSA-N 0 0 426.513 3.916 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000026767745 557247752 /nfs/dbraw/zinc/24/77/52/557247752.db2.gz FMHIFYORQNMIPW-HNNXBMFYSA-N 0 0 429.567 3.978 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000018197861 557249677 /nfs/dbraw/zinc/24/96/77/557249677.db2.gz NXQDLVABESZPIP-UHFFFAOYSA-N 0 0 428.897 3.754 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000026852055 557249761 /nfs/dbraw/zinc/24/97/61/557249761.db2.gz LSHHAKPSLGKHTM-QHCPKHFHSA-N 0 0 437.540 3.551 50 0 IHAARN CCCCCOc1ccccc1/C=c1\sc2nc([C@H]3COc4ccccc4O3)nn2c1=O ZINC000026896348 557250503 /nfs/dbraw/zinc/25/05/03/557250503.db2.gz YIHDOGDQAFDBOB-PLDFPGSMSA-N 0 0 449.532 3.780 50 0 IHAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4CC(C)C)n(C)c(=O)n(C)c3=O)cc1 ZINC000008235591 557253735 /nfs/dbraw/zinc/25/37/35/557253735.db2.gz QKROLLOPKQQITK-KRWDZBQOSA-N 0 0 425.529 3.567 50 0 IHAARN O=C(CSc1ncnc2ccccc21)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000027033987 557255955 /nfs/dbraw/zinc/25/59/55/557255955.db2.gz HTXOTPNJOUBANW-UHFFFAOYSA-N 0 0 430.936 3.859 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000027063375 557256266 /nfs/dbraw/zinc/25/62/66/557256266.db2.gz WOTAXXWCDCTFHR-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2cccc(-c3nnco3)c2)nn1-c1ccccc1C(F)(F)F ZINC000027110823 557257274 /nfs/dbraw/zinc/25/72/74/557257274.db2.gz HPLPBYILTLTESE-UHFFFAOYSA-N 0 0 441.369 3.862 50 0 IHAARN COc1cc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC ZINC000027308532 557260037 /nfs/dbraw/zinc/26/00/37/557260037.db2.gz FEFBHTNUCLXYOL-UHFFFAOYSA-N 0 0 438.480 3.807 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2c(F)cccc2Cl)NC(=O)N[C@H]1c1cccs1 ZINC000027351330 557260793 /nfs/dbraw/zinc/26/07/93/557260793.db2.gz ZXJVZYCNFHWJSS-SFHVURJKSA-N 0 0 437.924 3.844 50 0 IHAARN COC(=O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000101130746 557261792 /nfs/dbraw/zinc/26/17/92/557261792.db2.gz GTKRYCSMJFASSH-HNNXBMFYSA-N 0 0 425.384 3.796 50 0 IHAARN O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cccc(Br)c1 ZINC000100514352 557263314 /nfs/dbraw/zinc/26/33/14/557263314.db2.gz JHPCQDNKVLTNKV-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN Cc1ccc(N2C(=O)C3=C(C)C[C@@H]([C@@H]4CC(=O)N(c5ccc(C)cc5)C4=O)C[C@H]3C2=O)cc1 ZINC000100543218 557263962 /nfs/dbraw/zinc/26/39/62/557263962.db2.gz CPQIYYIWZOCUGT-JITXHHKSSA-N 0 0 442.515 3.955 50 0 IHAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 ZINC000100632758 557267004 /nfs/dbraw/zinc/26/70/04/557267004.db2.gz GALULFHUQXPYFW-HNNXBMFYSA-N 0 0 437.290 3.592 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000013007642 557268612 /nfs/dbraw/zinc/26/86/12/557268612.db2.gz YXXWPXBWJKYDGI-VMPITWQZSA-N 0 0 448.954 3.666 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12)c1ccccc1 ZINC000100742712 557273953 /nfs/dbraw/zinc/27/39/53/557273953.db2.gz POFLBRDUUZVHIQ-FPOVZHCZSA-N 0 0 429.863 3.957 50 0 aggregator IHAARN CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc3ccccc32)n1 ZINC000027794743 557274858 /nfs/dbraw/zinc/27/48/58/557274858.db2.gz IMWNXCBMRPSUOE-UHFFFAOYSA-N 0 0 434.315 3.828 50 0 IHAARN CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101404549 557283151 /nfs/dbraw/zinc/28/31/51/557283151.db2.gz JNZKBOVMUMNORJ-VNHYZAJKSA-N 0 0 435.546 3.671 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1c(C)nc2[nH]c(NCc3cccs3)nn2c1=O ZINC000101501127 557289925 /nfs/dbraw/zinc/28/99/25/557289925.db2.gz VVRRCFKLSYRKDH-UHFFFAOYSA-N 0 0 436.541 3.588 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000101628323 557293007 /nfs/dbraw/zinc/29/30/07/557293007.db2.gz OYUNKJKKGMRYGY-OALUTQOASA-N 0 0 430.501 3.610 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000101612303 557294444 /nfs/dbraw/zinc/29/44/44/557294444.db2.gz AVXDYVWYRCSCFP-LZQZEXGQSA-N 0 0 441.325 3.957 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101715704 557294608 /nfs/dbraw/zinc/29/46/08/557294608.db2.gz KTQYNRLXZARXHG-NRFANRHFSA-N 0 0 441.553 3.846 50 0 IHAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000102052432 557298310 /nfs/dbraw/zinc/29/83/10/557298310.db2.gz GGKVVBUBRXIYGX-NQIIRXRSSA-N 0 0 443.503 3.611 50 0 IHAARN O=c1cc(CNc2ccc(Br)cc2)nc2[nH]c(NCc3ccc(F)cc3)nn21 ZINC000101796543 557298700 /nfs/dbraw/zinc/29/87/00/557298700.db2.gz DVBJMAQRKFJCCM-UHFFFAOYSA-N 0 0 443.280 3.543 50 0 IHAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945637 557307882 /nfs/dbraw/zinc/30/78/82/557307882.db2.gz QHCFDABMMVEWGB-GOSISDBHSA-N 0 0 439.537 3.565 50 0 IHAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000014129031 557308128 /nfs/dbraw/zinc/30/81/28/557308128.db2.gz MXHAVZSVHUWOTB-UHFFFAOYSA-N 0 0 432.508 3.945 50 0 IHAARN Cc1[nH]c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c(C)c1C(=O)OC(C)C ZINC000032926671 557318414 /nfs/dbraw/zinc/31/84/14/557318414.db2.gz JNSCJTGFUWSNHY-UHFFFAOYSA-N 0 0 426.439 3.843 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087528 557322289 /nfs/dbraw/zinc/32/22/89/557322289.db2.gz SJNITWBHQDECJU-UHFFFAOYSA-N 0 0 428.489 3.996 50 0 IHAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000033276341 557328951 /nfs/dbraw/zinc/32/89/51/557328951.db2.gz SCQNFHDFYRIZHG-CQSZACIVSA-N 0 0 446.916 3.672 50 0 IHAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c12 ZINC000014246847 557329366 /nfs/dbraw/zinc/32/93/66/557329366.db2.gz MQOWBQBDQSSZDS-UHFFFAOYSA-N 0 0 448.479 3.628 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)c(C)c1 ZINC000033283848 557331808 /nfs/dbraw/zinc/33/18/08/557331808.db2.gz JZUWBRWSKULCGR-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 ZINC000033527800 557335966 /nfs/dbraw/zinc/33/59/66/557335966.db2.gz KVHDPRFETHXJIA-UZHIMRIFSA-N 0 0 426.469 3.700 50 0 IHAARN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2N2CCCN12 ZINC000100165995 557340263 /nfs/dbraw/zinc/34/02/63/557340263.db2.gz ZAUDIALSROPSAO-LMMKCTJWSA-N 0 0 432.307 3.538 50 0 IHAARN Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1Cl ZINC000024969189 557340456 /nfs/dbraw/zinc/34/04/56/557340456.db2.gz AJOVFPRCJOMZHJ-UHFFFAOYSA-N 0 0 427.976 3.981 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000011683610 557366436 /nfs/dbraw/zinc/36/64/36/557366436.db2.gz UEZSMRWVUQUYCS-UHFFFAOYSA-N 0 0 449.540 3.889 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1ccccc1OC ZINC000102744311 557377077 /nfs/dbraw/zinc/37/70/77/557377077.db2.gz BEJVSYRTZDRMIO-FQEVSTJZSA-N 0 0 429.542 3.748 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@@H]1c1ccccc1 ZINC000102748087 557378920 /nfs/dbraw/zinc/37/89/20/557378920.db2.gz TZRSBHUDHWHXOP-OAQYLSRUSA-N 0 0 434.521 3.536 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@H]1c1cccc(F)c1 ZINC000102749197 557379171 /nfs/dbraw/zinc/37/91/71/557379171.db2.gz CJZFFOLYXZJTHC-FQEVSTJZSA-N 0 0 441.484 3.873 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000018328423 557387177 /nfs/dbraw/zinc/38/71/77/557387177.db2.gz RGFGSBQMJKLOIL-SUMWQHHRSA-N 0 0 441.867 3.543 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000018328421 557387235 /nfs/dbraw/zinc/38/72/35/557387235.db2.gz RGFGSBQMJKLOIL-CXAGYDPISA-N 0 0 441.867 3.543 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 ZINC000023997118 557390639 /nfs/dbraw/zinc/39/06/39/557390639.db2.gz MGTZRFRIEXWUMG-UHFFFAOYSA-N 0 0 440.344 3.561 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1OC ZINC000011693348 557390796 /nfs/dbraw/zinc/39/07/96/557390796.db2.gz PXJXRRNZTQSINU-QGZVFWFLSA-N 0 0 433.508 3.686 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000011694085 557391880 /nfs/dbraw/zinc/39/18/80/557391880.db2.gz LYGZJLBUHINVRA-UHFFFAOYSA-N 0 0 432.307 3.720 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000011694136 557392163 /nfs/dbraw/zinc/39/21/63/557392163.db2.gz NNFZRUMZULDUED-UHFFFAOYSA-N 0 0 430.867 3.598 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000013955817 557397525 /nfs/dbraw/zinc/39/75/25/557397525.db2.gz HESWZSZWDIIGHV-UHFFFAOYSA-N 0 0 441.532 3.966 50 0 IHAARN CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4Cl)cc3)nn12 ZINC000013954785 557397528 /nfs/dbraw/zinc/39/75/28/557397528.db2.gz MFFLYIACMVCFOU-UHFFFAOYSA-N 0 0 427.917 3.764 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000013956410 557398313 /nfs/dbraw/zinc/39/83/13/557398313.db2.gz QCBNAUATFLNTBK-CQSZACIVSA-N 0 0 433.553 3.548 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000013956601 557398456 /nfs/dbraw/zinc/39/84/56/557398456.db2.gz MDDSTSRVETYUSY-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000013956652 557398475 /nfs/dbraw/zinc/39/84/75/557398475.db2.gz ZVRPEXOQRUXASJ-INIZCTEOSA-N 0 0 429.590 3.635 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000013956465 557398576 /nfs/dbraw/zinc/39/85/76/557398576.db2.gz DXUZGAPCVKWNEV-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C[C@@H](C)CC2 ZINC000103157505 557420771 /nfs/dbraw/zinc/42/07/71/557420771.db2.gz JFYNDMLYDBQILR-RRFJBIMHSA-N 0 0 446.569 3.553 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc2sc1=O ZINC000064946811 557421602 /nfs/dbraw/zinc/42/16/02/557421602.db2.gz SIOHNMIVWBXTRZ-UHFFFAOYSA-N 0 0 445.610 3.601 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(=O)N1CCc2sccc2C1 ZINC000014317234 557434785 /nfs/dbraw/zinc/43/47/85/557434785.db2.gz GVTGAXVPEZDYJJ-UHFFFAOYSA-N 0 0 448.548 3.622 50 0 IHAARN COc1ccc(-n2c(=O)cc(O)nc2SCc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000104106906 557450414 /nfs/dbraw/zinc/45/04/14/557450414.db2.gz KRUTWHQUDGCANI-UHFFFAOYSA-N 0 0 436.489 3.971 50 0 IHAARN CCNC(=O)N1CCN(c2nc(C)nc(CC)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000096316736 557451686 /nfs/dbraw/zinc/45/16/86/557451686.db2.gz XMICFNWUHXYEAQ-UHFFFAOYSA-N 0 0 435.494 3.809 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCCc1ccc(F)cc1 ZINC000014803899 557457233 /nfs/dbraw/zinc/45/72/33/557457233.db2.gz WACODDYITKGESP-UHFFFAOYSA-N 0 0 425.464 3.545 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccccc1 ZINC000105009344 557472075 /nfs/dbraw/zinc/47/20/75/557472075.db2.gz LTQQSDKOVHFTBV-DHIUTWEWSA-N 0 0 449.551 3.791 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000105049314 557473977 /nfs/dbraw/zinc/47/39/77/557473977.db2.gz WYBMIYXDRBVROH-GOTSBHOMSA-N 0 0 442.537 3.607 50 0 IHAARN COc1cc(OC)cc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)c1 ZINC000046915818 557514032 /nfs/dbraw/zinc/51/40/32/557514032.db2.gz OSMQMBPSPHEXFJ-UHFFFAOYSA-N 0 0 430.508 3.664 50 0 IHAARN COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(F)cc4Cl)C3=O)n2)c1 ZINC000110951075 557525168 /nfs/dbraw/zinc/52/51/68/557525168.db2.gz NYSHBNHYFGWPDY-FQEVSTJZSA-N 0 0 430.823 3.505 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4c(C)cccc4C)n3n2)cc1 ZINC000045939103 557548223 /nfs/dbraw/zinc/54/82/23/557548223.db2.gz KFXRSHMHUHJUGW-UHFFFAOYSA-N 0 0 433.537 3.995 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(Cl)cc1)C(=O)CS2 ZINC000045960781 557554858 /nfs/dbraw/zinc/55/48/58/557554858.db2.gz KTFYQLGTVATIMZ-UHFFFAOYSA-N 0 0 445.972 3.577 50 0 IHAARN O=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccccc1Br ZINC000045962375 557557284 /nfs/dbraw/zinc/55/72/84/557557284.db2.gz YDVYBWUNKHOAQG-UHFFFAOYSA-N 0 0 449.326 3.957 50 0 IHAARN CC(C)N1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355505 557713643 /nfs/dbraw/zinc/71/36/43/557713643.db2.gz LRSROXRGVWSEFA-UHFFFAOYSA-N 0 0 427.357 3.868 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000225408878 557719608 /nfs/dbraw/zinc/71/96/08/557719608.db2.gz QPJJNNPUZFQNGN-KRWDZBQOSA-N 0 0 425.957 3.831 50 0 IHAARN C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1)c1ccc(Br)cn1 ZINC000225434865 557722526 /nfs/dbraw/zinc/72/25/26/557722526.db2.gz DXDNZEIPBQAFHV-NSHDSACASA-N 0 0 430.281 3.932 50 0 IHAARN Cc1nc2c(ccc(Cl)c2NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)s1 ZINC000225474625 557727127 /nfs/dbraw/zinc/72/71/27/557727127.db2.gz MRDSHKPEOJVWAC-UHFFFAOYSA-N 0 0 447.925 3.817 50 0 IHAARN Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC(O)(c3scnc3Br)CC2)s1 ZINC000225489108 557729112 /nfs/dbraw/zinc/72/91/12/557729112.db2.gz RSTUPQXNTUQBMX-NWDGAFQWSA-N 0 0 427.389 3.889 50 0 IHAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000225503613 557731313 /nfs/dbraw/zinc/73/13/13/557731313.db2.gz OEJDKONUCJPKQQ-DEOSSOPVSA-N 0 0 449.501 3.780 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000225611567 557751489 /nfs/dbraw/zinc/75/14/89/557751489.db2.gz NUBHLZOTGRIMDS-HDICACEKSA-N 0 0 435.524 3.844 50 0 IHAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000225661517 557758783 /nfs/dbraw/zinc/75/87/83/557758783.db2.gz RGEMUUOJHANYFP-KRWDZBQOSA-N 0 0 438.509 3.529 50 0 IHAARN CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000225763771 557774304 /nfs/dbraw/zinc/77/43/04/557774304.db2.gz YMQPLRAVLAFNJS-PKOBYXMFSA-N 0 0 430.501 3.731 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-n1cccc1 ZINC000027752327 557798969 /nfs/dbraw/zinc/79/89/69/557798969.db2.gz FPJLRFPWWHVZDY-UHFFFAOYSA-N 0 0 437.481 3.559 50 0 IHAARN Cc1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C(=O)NCCc1c(F)cccc1Cl ZINC000227156013 557812544 /nfs/dbraw/zinc/81/25/44/557812544.db2.gz FDUIGRQJZOBTMI-ZDUSSCGKSA-N 0 0 449.935 3.710 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc2cc(OC)ccc2oc1=O ZINC000000845550 557828938 /nfs/dbraw/zinc/82/89/38/557828938.db2.gz NYJFPPZPCVMZAY-UHFFFAOYSA-N 0 0 429.450 3.803 50 0 IHAARN COC(=O)c1ccc2c(=O)[nH]c(CN3CCCCC[C@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000229427971 557832242 /nfs/dbraw/zinc/83/22/42/557832242.db2.gz JFWBUTWWHRXCOZ-QFBILLFUSA-N 0 0 441.553 3.640 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1F)N1CCCC1)c1ccc(Br)cc1 ZINC000238950186 557842205 /nfs/dbraw/zinc/84/22/05/557842205.db2.gz WWWJSGIZGWSKTM-SFHVURJKSA-N 0 0 445.329 3.843 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@H]2C1 ZINC000239235723 557843403 /nfs/dbraw/zinc/84/34/03/557843403.db2.gz WOJFIYOWTOKWHS-YAKVFXAGSA-N 0 0 446.503 3.571 50 0 IHAARN CCOCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(COC)CC1 ZINC000241371380 557846471 /nfs/dbraw/zinc/84/64/71/557846471.db2.gz MNCFOPFGKVOSEU-UHFFFAOYSA-N 0 0 425.577 3.961 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000000894281 557862532 /nfs/dbraw/zinc/86/25/32/557862532.db2.gz OSJRSWNVAQREFI-SFHVURJKSA-N 0 0 439.537 3.705 50 0 IHAARN Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2c(nc(C)[nH]c2=O)n1C ZINC000019625879 560094061 /nfs/dbraw/zinc/09/40/61/560094061.db2.gz LKWNDDFUDMDWAC-UHFFFAOYSA-N 0 0 446.330 3.983 50 0 biogenic,in-vitro IHAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000001240321 562921054 /nfs/dbraw/zinc/92/10/54/562921054.db2.gz PCYFWORPCCGVSM-UHFFFAOYSA-N 0 0 438.487 3.859 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002414289 562927440 /nfs/dbraw/zinc/92/74/40/562927440.db2.gz DYWDXCOWNAZZHF-JKSUJKDBSA-N 0 0 425.934 3.533 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl)CCC2 ZINC000002635683 562928930 /nfs/dbraw/zinc/92/89/30/562928930.db2.gz ZBBMHHKXYSUQON-UHFFFAOYSA-N 0 0 443.308 3.911 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000002650556 562929351 /nfs/dbraw/zinc/92/93/51/562929351.db2.gz CCVGNVDYXOHKGM-UHFFFAOYSA-N 0 0 434.334 3.665 50 0 IHAARN COc1cc([C@H]2C(=O)N(C3CCCC3)CC(=O)N2Cc2ccco2)ccc1OC(C)C ZINC000003039823 562932050 /nfs/dbraw/zinc/93/20/50/562932050.db2.gz GXLZCGCXHSFFJU-QHCPKHFHSA-N 0 0 426.513 3.930 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)Nc1cccc(C)c1C ZINC000003048101 562932245 /nfs/dbraw/zinc/93/22/45/562932245.db2.gz IVAPURSBEFYBCS-UHFFFAOYSA-N 0 0 428.510 3.631 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1cc(F)ccc1F ZINC000003222040 562932980 /nfs/dbraw/zinc/93/29/80/562932980.db2.gz YWPUWRQNNIMLBA-SFHVURJKSA-N 0 0 444.459 3.549 50 0 aggregator IHAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000003278398 562933596 /nfs/dbraw/zinc/93/35/96/562933596.db2.gz GKDIAVPMGISXAJ-HNNXBMFYSA-N 0 0 435.509 3.654 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000003278394 562933604 /nfs/dbraw/zinc/93/36/04/562933604.db2.gz GKDIAVPMGISXAJ-OAHLLOKOSA-N 0 0 435.509 3.654 50 0 IHAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000003402998 562935246 /nfs/dbraw/zinc/93/52/46/562935246.db2.gz QVTUOEOMPXNJIW-UHFFFAOYSA-N 0 0 436.537 3.957 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003588247 562936618 /nfs/dbraw/zinc/93/66/18/562936618.db2.gz QHUDGWUDCNTFKM-UHFFFAOYSA-N 0 0 439.295 3.637 50 0 IHAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000003793068 562938018 /nfs/dbraw/zinc/93/80/18/562938018.db2.gz JGZRPRSJSQLFBO-FWPUOYPASA-N 0 0 430.585 3.962 50 0 in-vitro IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)C1 ZINC000004005017 562940658 /nfs/dbraw/zinc/94/06/58/562940658.db2.gz WVQYILYLXAARSR-MRXNPFEDSA-N 0 0 427.526 3.795 50 0 IHAARN COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 ZINC000004085279 562941658 /nfs/dbraw/zinc/94/16/58/562941658.db2.gz LSBVKORITUHVTC-KRWDZBQOSA-N 0 0 433.545 4.000 50 0 biogenic IHAARN CCc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183320 562942518 /nfs/dbraw/zinc/94/25/18/562942518.db2.gz IJMCCLDAFDTGGN-QFIPXVFZSA-N 0 0 429.582 3.967 50 0 IHAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC[C@H]1CCCO1 ZINC000006528986 562947030 /nfs/dbraw/zinc/94/70/30/562947030.db2.gz MTYFPMXVVIGDEP-MRXNPFEDSA-N 0 0 443.594 3.520 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1CCc1ccccc1 ZINC000006577016 562947403 /nfs/dbraw/zinc/94/74/03/562947403.db2.gz IKSFBJNKHSJYMI-UHFFFAOYSA-N 0 0 437.613 3.991 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000006577130 562947458 /nfs/dbraw/zinc/94/74/58/562947458.db2.gz VIUQOIJKIDLWKC-UHFFFAOYSA-N 0 0 439.537 3.769 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)cc1OCC ZINC000006578010 562948022 /nfs/dbraw/zinc/94/80/22/562948022.db2.gz STGPHPQFYSSSSC-WJOKGBTCSA-N 0 0 439.537 3.993 50 0 IHAARN CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)Cc1ccccc1 ZINC000007445319 562948702 /nfs/dbraw/zinc/94/87/02/562948702.db2.gz HRKZTGIDPXTCBL-UHFFFAOYSA-N 0 0 429.586 3.630 50 0 IHAARN COC(=O)c1cc2c(cc1NC(=O)c1cnn(-c3ccc(C)cc3)c1-n1cccc1)OCO2 ZINC000008592107 562952219 /nfs/dbraw/zinc/95/22/19/562952219.db2.gz QVIPZEAENVRYSK-UHFFFAOYSA-N 0 0 444.447 3.739 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1Cl ZINC000008593360 562952642 /nfs/dbraw/zinc/95/26/42/562952642.db2.gz MJJXHSFQOXKEJM-UHFFFAOYSA-N 0 0 445.972 3.786 50 0 IHAARN Cc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 ZINC000008593995 562952911 /nfs/dbraw/zinc/95/29/11/562952911.db2.gz NRGGUJAOYUXHJV-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccccn3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595482 562953471 /nfs/dbraw/zinc/95/34/71/562953471.db2.gz ORGDELUMOSNHMP-UHFFFAOYSA-N 0 0 425.448 3.533 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008595740 562953623 /nfs/dbraw/zinc/95/36/23/562953623.db2.gz JRWIXAYEKFHUDY-MRXNPFEDSA-N 0 0 444.582 3.854 50 0 aggregator IHAARN CCOc1ccc(CCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)cc1OCC ZINC000008596625 562953862 /nfs/dbraw/zinc/95/38/62/562953862.db2.gz ZNESRVYESGZACD-UHFFFAOYSA-N 0 0 441.528 3.724 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000008600281 562955062 /nfs/dbraw/zinc/95/50/62/562955062.db2.gz AXXMOTOXNKXXEG-UHFFFAOYSA-N 0 0 436.921 3.812 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)c(C)c4)n3n2)cc1 ZINC000008601517 562955359 /nfs/dbraw/zinc/95/53/59/562955359.db2.gz UYDLSTXLXQQBCU-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN CCc1ccc(CNC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)cc1 ZINC000008605587 562956795 /nfs/dbraw/zinc/95/67/95/562956795.db2.gz APEOVVOEDXMZJI-UHFFFAOYSA-N 0 0 432.572 3.691 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3)cc(=O)n12 ZINC000008606957 562957124 /nfs/dbraw/zinc/95/71/24/562957124.db2.gz MHMDEPHYHBJIIP-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000008607148 562957200 /nfs/dbraw/zinc/95/72/00/562957200.db2.gz ZBSYKIHSLRKQQS-UHFFFAOYSA-N 0 0 428.514 3.616 50 0 IHAARN Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccc(OC(C)C)cc4)cc3C2=O)cc1 ZINC000008608953 562957573 /nfs/dbraw/zinc/95/75/73/562957573.db2.gz YCWRQUXRVNLWEM-UHFFFAOYSA-N 0 0 446.551 3.955 50 0 IHAARN CCc1ccc(CNC(=O)CN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)cc1 ZINC000008609742 562957916 /nfs/dbraw/zinc/95/79/16/562957916.db2.gz LIYHSNNREZEDJI-UHFFFAOYSA-N 0 0 441.535 3.657 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn2C)cc1Cl ZINC000008610094 562958097 /nfs/dbraw/zinc/95/80/97/562958097.db2.gz MFTPUABHMFWIGR-UHFFFAOYSA-N 0 0 425.938 3.504 50 0 IHAARN C[C@H]1CCCCN1C(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610721 562958243 /nfs/dbraw/zinc/95/82/43/562958243.db2.gz XXGUMFHEAQNEPS-KRWDZBQOSA-N 0 0 432.499 3.940 50 0 IHAARN CCOc1ccc(CCNC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008611378 562958561 /nfs/dbraw/zinc/95/85/61/562958561.db2.gz ZDQREBRJMZJHEL-UHFFFAOYSA-N 0 0 444.535 3.562 50 0 IHAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c(OC)c1 ZINC000008619679 562960003 /nfs/dbraw/zinc/96/00/03/562960003.db2.gz RTPHQMZKTVJSGJ-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCCC3)Nc1cccc(F)c1 ZINC000008648275 562960150 /nfs/dbraw/zinc/96/01/50/562960150.db2.gz OCQXBJHRPWSJOW-UHFFFAOYSA-N 0 0 449.507 3.871 50 0 IHAARN Cc1cc(C)c(-c2cc(NC(=O)CSc3nc(N)n[nH]3)n(-c3ccccc3)n2)cc1C ZINC000008686259 562962723 /nfs/dbraw/zinc/96/27/23/562962723.db2.gz CVWGMPPNYMGTFQ-UHFFFAOYSA-N 0 0 433.541 3.896 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3cccc(F)c3)nc2c1 ZINC000008686300 562962728 /nfs/dbraw/zinc/96/27/28/562962728.db2.gz VNOQTPONBCUIOD-UHFFFAOYSA-N 0 0 436.534 3.511 50 0 IHAARN CCN(CC)C(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000008691057 562963384 /nfs/dbraw/zinc/96/33/84/562963384.db2.gz NTLJAYXNYZANSA-BOPFTXTBSA-N 0 0 445.313 3.817 50 0 IHAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000008831195 562964932 /nfs/dbraw/zinc/96/49/32/562964932.db2.gz DWZXUQHXRSARDI-UHFFFAOYSA-N 0 0 449.536 3.831 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(=O)c2ccccc2o1 ZINC000009097124 562967001 /nfs/dbraw/zinc/96/70/01/562967001.db2.gz ZQWQMEGGIJJTCN-UHFFFAOYSA-N 0 0 426.494 3.610 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1)n2C ZINC000009124083 562967404 /nfs/dbraw/zinc/96/74/04/562967404.db2.gz AHZKLLCOCOJCAQ-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2ccccc2)cc1 ZINC000009335317 562969371 /nfs/dbraw/zinc/96/93/71/562969371.db2.gz WDSHSODMGPVOLF-XMMPIXPASA-N 0 0 444.487 3.995 50 0 IHAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000009351298 562969445 /nfs/dbraw/zinc/96/94/45/562969445.db2.gz FHHFOBKYAJVIHW-UHFFFAOYSA-N 0 0 442.537 3.595 50 0 IHAARN COc1ccc(CNC(=O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000009577876 562973461 /nfs/dbraw/zinc/97/34/61/562973461.db2.gz JUNJYBQCYGQWHO-UHFFFAOYSA-N 0 0 441.487 3.807 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)c1 ZINC000009659214 562974752 /nfs/dbraw/zinc/97/47/52/562974752.db2.gz FASTVIVQTQRZEL-AWEZNQCLSA-N 0 0 425.510 3.833 50 0 IHAARN COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009683992 562975499 /nfs/dbraw/zinc/97/54/99/562975499.db2.gz VJWHISUMJPNEHS-UHFFFAOYSA-N 0 0 438.590 3.507 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)cc1 ZINC000009716112 562975972 /nfs/dbraw/zinc/97/59/72/562975972.db2.gz SZLYOLLBCHVPIK-UHFFFAOYSA-N 0 0 442.475 3.755 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723487 562976010 /nfs/dbraw/zinc/97/60/10/562976010.db2.gz AKLZEVSDXRDPNZ-UHFFFAOYSA-N 0 0 447.488 3.582 50 0 IHAARN CCOc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc(OC(F)F)cc2)C(C)C)cc1 ZINC000009832048 562977313 /nfs/dbraw/zinc/97/73/13/562977313.db2.gz VSKJMXVEIMUIPE-FQEVSTJZSA-N 0 0 434.483 3.800 50 0 IHAARN COc1ccc(F)c(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)c1 ZINC000012373033 562981907 /nfs/dbraw/zinc/98/19/07/562981907.db2.gz YBYTZWUFGGJAOD-KRWDZBQOSA-N 0 0 443.544 3.573 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2scc3c2OCCO3)CC1 ZINC000012592346 562982806 /nfs/dbraw/zinc/98/28/06/562982806.db2.gz YXGKFESZFDLJAK-UHFFFAOYSA-N 0 0 445.537 3.556 50 0 IHAARN Cc1nn(C)c(C)c1CN(C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)C(C)C ZINC000012835635 562983121 /nfs/dbraw/zinc/98/31/21/562983121.db2.gz ZGEOQNBURUKMCU-UHFFFAOYSA-N 0 0 434.544 3.862 50 0 IHAARN COC(=O)[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000012892339 562983453 /nfs/dbraw/zinc/98/34/53/562983453.db2.gz AAPPTVQRFKMVTR-ZDUSSCGKSA-N 0 0 442.899 3.520 50 0 IHAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O ZINC000013009307 562984040 /nfs/dbraw/zinc/98/40/40/562984040.db2.gz BDLKAVKORHZDKA-IRXDYDNUSA-N 0 0 425.504 3.789 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000013018481 562984186 /nfs/dbraw/zinc/98/41/86/562984186.db2.gz REDQZFVKHJYTOW-OAHLLOKOSA-N 0 0 448.507 3.674 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1OCC ZINC000013155532 562985572 /nfs/dbraw/zinc/98/55/72/562985572.db2.gz MURGXVBZXBQSST-UHFFFAOYSA-N 0 0 429.513 3.787 50 0 IHAARN O=c1[nH]c2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000013585914 562995077 /nfs/dbraw/zinc/99/50/77/562995077.db2.gz BMVNFJCUHHTZQU-UHFFFAOYSA-N 0 0 449.722 3.906 50 0 in-vitro IHAARN C[C@H](CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 ZINC000015935613 563018730 /nfs/dbraw/zinc/01/87/30/563018730.db2.gz FNCVJEKTFKPZQF-LJQANCHMSA-N 0 0 439.581 3.736 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)cc1C ZINC000016689630 563021057 /nfs/dbraw/zinc/02/10/57/563021057.db2.gz MDAFYVWYEAWWBH-LJQANCHMSA-N 0 0 432.520 3.683 50 0 IHAARN O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000019793155 563023019 /nfs/dbraw/zinc/02/30/19/563023019.db2.gz IBKCOGDMJGOYDZ-UHFFFAOYSA-N 0 0 449.860 3.847 50 0 IHAARN O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000030958411 563083146 /nfs/dbraw/zinc/08/31/46/563083146.db2.gz YTGCLMOOUVLCHH-UHFFFAOYSA-N 0 0 438.524 3.563 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000056946344 563142887 /nfs/dbraw/zinc/14/28/87/563142887.db2.gz VSKOAULWADDVPZ-QFIPXVFZSA-N 0 0 443.544 3.569 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000025065923 568626952 /nfs/dbraw/zinc/62/69/52/568626952.db2.gz PIMLNOPTOFMWSU-XDHFQJGLSA-N 0 0 437.005 3.826 50 0 IHAARN Cc1cccc(C(=O)Oc2cccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c2)c1 ZINC000000896538 568634572 /nfs/dbraw/zinc/63/45/72/568634572.db2.gz PNZIKPZOBCUQRK-UHFFFAOYSA-N 0 0 427.460 3.642 50 0 IHAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000908014 568636597 /nfs/dbraw/zinc/63/65/97/568636597.db2.gz AIPWUIDVIKDBTR-UHFFFAOYSA-N 0 0 448.850 3.632 50 0 IHAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1NC(=O)c1ccco1 ZINC000019077110 568637424 /nfs/dbraw/zinc/63/74/24/568637424.db2.gz GLESTWONAGHQET-UHFFFAOYSA-N 0 0 436.449 3.641 50 0 IHAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056921 568642072 /nfs/dbraw/zinc/64/20/72/568642072.db2.gz IAOKHVMCCJSBLV-MRXNPFEDSA-N 0 0 437.521 3.944 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)sc2c1 ZINC000000944851 568643341 /nfs/dbraw/zinc/64/33/41/568643341.db2.gz ZITCECHSCGFVLR-UHFFFAOYSA-N 0 0 433.555 3.978 50 0 IHAARN O=C(CCC1CCCCC1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 ZINC000000950381 568644990 /nfs/dbraw/zinc/64/49/90/568644990.db2.gz HMQCBMNSNMIHCF-UHFFFAOYSA-N 0 0 437.587 3.616 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000970423 568647439 /nfs/dbraw/zinc/64/74/39/568647439.db2.gz ADKSJFNNVTUTBB-QHCPKHFHSA-N 0 0 442.471 3.823 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccco3)C2=O)ccc1Cl ZINC000001008662 568650690 /nfs/dbraw/zinc/65/06/90/568650690.db2.gz YONXZRFCQHOXDK-DHDCSXOGSA-N 0 0 434.857 3.785 50 0 IHAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(OCC)c2O)C1=O ZINC000001008441 568650722 /nfs/dbraw/zinc/65/07/22/568650722.db2.gz ZPSMHHFYMDUNES-XSHGTHSTSA-N 0 0 444.303 3.541 50 0 IHAARN O=C(Nc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1)c1ccco1 ZINC000025325508 568653492 /nfs/dbraw/zinc/65/34/92/568653492.db2.gz MYSMKUMVYJCWCH-UHFFFAOYSA-N 0 0 445.522 3.630 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001055418 568653875 /nfs/dbraw/zinc/65/38/75/568653875.db2.gz NTPFFAGBANHCGN-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(=O)[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000257346918 568730838 /nfs/dbraw/zinc/73/08/38/568730838.db2.gz FCBMOZHERSIGKF-IAVHIYAISA-N 0 0 444.568 3.641 50 0 IHAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000257359085 568731549 /nfs/dbraw/zinc/73/15/49/568731549.db2.gz YIMYGERTFGJMJP-QYEVLHTNSA-N 0 0 432.557 3.556 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000006004706 568739932 /nfs/dbraw/zinc/73/99/32/568739932.db2.gz YMMIWMCKUCDANQ-MRXNPFEDSA-N 0 0 425.558 3.609 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000001806297 568740877 /nfs/dbraw/zinc/74/08/77/568740877.db2.gz YFDNHSPKZZTUDX-WJDWOHSUSA-N 0 0 428.311 3.527 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002107436 568742774 /nfs/dbraw/zinc/74/27/74/568742774.db2.gz SNTJTEVKGUJQCL-NIJXNBFTSA-N 0 0 440.540 3.716 50 0 IHAARN O=S(=O)(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1 ZINC000003215135 568743159 /nfs/dbraw/zinc/74/31/59/568743159.db2.gz SEQMBXQIROBJGF-UHFFFAOYSA-N 0 0 431.517 3.985 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 ZINC000003262343 568744236 /nfs/dbraw/zinc/74/42/36/568744236.db2.gz LVSDYHUGMRPEAO-UHFFFAOYSA-N 0 0 448.522 3.529 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000003266099 568744315 /nfs/dbraw/zinc/74/43/15/568744315.db2.gz PZFIYNHIYAPBRZ-UHFFFAOYSA-N 0 0 442.320 3.818 50 0 IHAARN CCOc1ccc(NC(=O)NCC2CCN(C(=O)c3cccnc3SC)CC2)cc1 ZINC000044001752 568745527 /nfs/dbraw/zinc/74/55/27/568745527.db2.gz OELJKYLCOLOVLI-UHFFFAOYSA-N 0 0 428.558 3.876 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000003350288 568746745 /nfs/dbraw/zinc/74/67/45/568746745.db2.gz XUNICHULVSFDFN-UHFFFAOYSA-N 0 0 445.928 3.523 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1Cl ZINC000003364716 568747308 /nfs/dbraw/zinc/74/73/08/568747308.db2.gz WNBAGSSEQBQRDJ-UHFFFAOYSA-N 0 0 448.928 3.938 50 0 IHAARN O=C(COC(=O)c1ccccc1I)Nc1ccc(F)cc1Cl ZINC000003391494 568748496 /nfs/dbraw/zinc/74/84/96/568748496.db2.gz WYGQPAWVQHHJNE-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000003412008 568748746 /nfs/dbraw/zinc/74/87/46/568748746.db2.gz TUTFVPDGBIZGRL-UHFFFAOYSA-N 0 0 444.450 3.562 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)cc1 ZINC000044166685 568749189 /nfs/dbraw/zinc/74/91/89/568749189.db2.gz XQDICTQOQBTFPN-UHFFFAOYSA-N 0 0 430.489 3.680 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1[nH]nnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000044167289 568749223 /nfs/dbraw/zinc/74/92/23/568749223.db2.gz ITTHZWCAYFFLLY-UHFFFAOYSA-N 0 0 443.463 3.786 50 0 IHAARN CCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000003432799 568749355 /nfs/dbraw/zinc/74/93/55/568749355.db2.gz XLXBRTJYJSRZIX-UHFFFAOYSA-N 0 0 428.913 3.836 50 0 IHAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NCc1ccccc1Cl ZINC000003482474 568750209 /nfs/dbraw/zinc/75/02/09/568750209.db2.gz JPPMKCAOEUJJKU-UHFFFAOYSA-N 0 0 448.862 3.614 50 0 IHAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000003636702 568752231 /nfs/dbraw/zinc/75/22/31/568752231.db2.gz XVSHPUHKOCXVDA-MJGOQNOKSA-N 0 0 446.525 3.612 50 0 IHAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)o2)nc1C ZINC000003643330 568752447 /nfs/dbraw/zinc/75/24/47/568752447.db2.gz NQARFMANGDQKSP-MRXNPFEDSA-N 0 0 436.445 3.996 50 0 IHAARN Cc1c(C(=O)N(C)C[C@H](O)c2ccccc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000299765768 568756133 /nfs/dbraw/zinc/75/61/33/568756133.db2.gz AGEQNXSWPACOOE-QHCPKHFHSA-N 0 0 439.519 3.542 50 0 IHAARN COc1cc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc2c1OCO2 ZINC000299777059 568757008 /nfs/dbraw/zinc/75/70/08/568757008.db2.gz NPEJOHZCXYFQAF-MOPGFXCFSA-N 0 0 446.544 3.823 50 0 IHAARN O=C([O-])COc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000299792751 568757705 /nfs/dbraw/zinc/75/77/05/568757705.db2.gz FTUOUHPPUVRGNQ-UHFFFAOYSA-N 0 0 446.503 3.868 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 ZINC000078597216 568762137 /nfs/dbraw/zinc/76/21/37/568762137.db2.gz ZJZXAAKVSIOPLG-UHFFFAOYSA-N 0 0 443.500 3.739 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1Cl ZINC000025679897 568775222 /nfs/dbraw/zinc/77/52/22/568775222.db2.gz DKGFTPXYPCXECG-UHFFFAOYSA-N 0 0 447.923 3.557 50 0 IHAARN Cc1ccc(-c2nn3ccn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c3c2CO)cc1 ZINC000263615604 568776282 /nfs/dbraw/zinc/77/62/82/568776282.db2.gz DEIBLLWQAYTXJB-UHFFFAOYSA-N 0 0 447.882 3.715 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccccc4C(F)(F)F)c3CO2)cc1 ZINC000263617245 568777030 /nfs/dbraw/zinc/77/70/30/568777030.db2.gz MWDNHSUJDZBPER-GOSISDBHSA-N 0 0 432.402 3.507 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(Br)c(C)c4)c3CO2)cc1 ZINC000263619573 568778373 /nfs/dbraw/zinc/77/83/73/568778373.db2.gz ZIDGYTYFZQFOFT-GOSISDBHSA-N 0 0 443.301 3.881 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1Br ZINC000001291832 568778600 /nfs/dbraw/zinc/77/86/00/568778600.db2.gz ZSNGYJXAGQCRGG-QGZVFWFLSA-N 0 0 448.321 3.609 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)s1 ZINC000025778125 568779665 /nfs/dbraw/zinc/77/96/65/568779665.db2.gz WCFANXQWKJHJCG-UHFFFAOYSA-N 0 0 447.607 3.635 50 0 IHAARN CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C(C)C)cc1 ZINC000083823578 568782613 /nfs/dbraw/zinc/78/26/13/568782613.db2.gz VURZKYHEUHPZNN-NRFANRHFSA-N 0 0 448.571 3.974 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(CC)cc2)nn(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000045896438 568783014 /nfs/dbraw/zinc/78/30/14/568783014.db2.gz ASEHDFMDLXJICF-UHFFFAOYSA-N 0 0 440.450 3.738 50 0 IHAARN Cc1nn(CCC(=O)Nc2ccc(C)cc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004447 568784550 /nfs/dbraw/zinc/78/45/50/568784550.db2.gz FDIDHWVSYCPKSE-UHFFFAOYSA-N 0 0 432.590 3.566 50 0 IHAARN COCCOc1cccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000083911858 568785265 /nfs/dbraw/zinc/78/52/65/568785265.db2.gz ZAMYCEGXBYABGF-INIZCTEOSA-N 0 0 448.445 3.793 50 0 IHAARN Cc1occc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F ZINC000025873644 568786348 /nfs/dbraw/zinc/78/63/48/568786348.db2.gz RBBMVWPLQZRHAU-UHFFFAOYSA-N 0 0 432.420 3.566 50 0 IHAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1 ZINC000223233573 568786557 /nfs/dbraw/zinc/78/65/57/568786557.db2.gz ZRVYPCSRNJHKRD-UHFFFAOYSA-N 0 0 448.976 3.794 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1NC(=O)C(C)C ZINC000016624900 568787373 /nfs/dbraw/zinc/78/73/73/568787373.db2.gz LIYXXBMECXBHBV-UHFFFAOYSA-N 0 0 440.450 3.730 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F ZINC000084072129 568791300 /nfs/dbraw/zinc/79/13/00/568791300.db2.gz UXYSPZDCFUFBNW-WBVHZDCISA-N 0 0 431.389 3.985 50 0 IHAARN Cc1cc(=O)c(C(=O)N2c3ccccc3C[C@H]2C(=O)OC(C)(C)C)nn1-c1ccccc1F ZINC000084072163 568791504 /nfs/dbraw/zinc/79/15/04/568791504.db2.gz FPYBGTPWDCMIAN-FQEVSTJZSA-N 0 0 449.482 3.593 50 0 IHAARN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000084104844 568792753 /nfs/dbraw/zinc/79/27/53/568792753.db2.gz LSXCSAIUDTWBNY-OAQYLSRUSA-N 0 0 445.441 3.952 50 0 IHAARN O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000001423444 568793190 /nfs/dbraw/zinc/79/31/90/568793190.db2.gz FIHQDOQWQSFYDV-UHFFFAOYSA-N 0 0 438.436 3.985 50 0 IHAARN CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)OCC)cc2)sc2c1CCCC2 ZINC000001425530 568793757 /nfs/dbraw/zinc/79/37/57/568793757.db2.gz RCJFFUGLTSZYLM-UHFFFAOYSA-N 0 0 431.510 3.998 50 0 IHAARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2n1 ZINC000001432707 568795451 /nfs/dbraw/zinc/79/54/51/568795451.db2.gz FOZAPGWNZVGSFH-ZDUSSCGKSA-N 0 0 437.521 3.766 50 0 IHAARN Cc1noc(CSc2ccccc2C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)n1 ZINC000084286772 568796811 /nfs/dbraw/zinc/79/68/11/568796811.db2.gz KGZYGKHTQPBFAL-UHFFFAOYSA-N 0 0 448.552 3.899 50 0 IHAARN Cn1cc(CCC(=O)NC2(C(=O)Nc3ccc(Br)cc3)CCCCC2)cn1 ZINC000084318302 568796913 /nfs/dbraw/zinc/79/69/13/568796913.db2.gz GRJCZEJKGLXOIL-UHFFFAOYSA-N 0 0 433.350 3.573 50 0 IHAARN O=C(C[S@](=O)Cc1csc(Br)c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000084459741 568798119 /nfs/dbraw/zinc/79/81/19/568798119.db2.gz YMAFHAQMPOSMIB-DEOSSOPVSA-N 0 0 438.271 3.720 50 0 IHAARN Brc1cccc(-c2noc(Cn3nnnc3CCCc3ccccc3)n2)c1 ZINC000084528642 568798619 /nfs/dbraw/zinc/79/86/19/568798619.db2.gz BBFUTSPPVMNZLS-UHFFFAOYSA-N 0 0 425.290 3.709 50 0 IHAARN O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000084613409 568799068 /nfs/dbraw/zinc/79/90/68/568799068.db2.gz MFQMDRLAUXDXTR-INIZCTEOSA-N 0 0 429.362 3.694 50 0 IHAARN CCN(C(=O)CN1CCC[C@H](C(=O)NC2CCCCC2)C1)c1nc2ccccc2s1 ZINC000084779718 568801238 /nfs/dbraw/zinc/80/12/38/568801238.db2.gz KRNDMOXMCDQALY-KRWDZBQOSA-N 0 0 428.602 3.810 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1F ZINC000015669388 568801904 /nfs/dbraw/zinc/80/19/04/568801904.db2.gz APUBXWATYKHYDB-UHFFFAOYSA-N 0 0 427.501 3.872 50 0 IHAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000025955146 568802171 /nfs/dbraw/zinc/80/21/71/568802171.db2.gz COIAXPYJKZRHEZ-UHFFFAOYSA-N 0 0 425.492 3.588 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000015670634 568802656 /nfs/dbraw/zinc/80/26/56/568802656.db2.gz AWGFAFLYWSUZAB-KRWDZBQOSA-N 0 0 436.397 3.924 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000015675501 568803883 /nfs/dbraw/zinc/80/38/83/568803883.db2.gz BEAIPNCSPVJGQR-KOSHJBKYSA-N 0 0 427.545 3.857 50 0 IHAARN O=C(CCNC(=O)c1ccsc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032492907 568811433 /nfs/dbraw/zinc/81/14/33/568811433.db2.gz CBBQJKZHZWIWLX-UHFFFAOYSA-N 0 0 428.535 3.934 50 0 IHAARN CCN(CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2)c1ccccc1 ZINC000015730926 568814406 /nfs/dbraw/zinc/81/44/06/568814406.db2.gz RRGGMARVNFCVCY-INIZCTEOSA-N 0 0 433.599 3.704 50 0 IHAARN COc1ccc(C)cc1-n1nnc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1C ZINC000015731634 568814492 /nfs/dbraw/zinc/81/44/92/568814492.db2.gz SASACGUMYUJAFT-UHFFFAOYSA-N 0 0 437.456 3.636 50 0 IHAARN O=C(c1cccn1-c1nnc(N2CCCC2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015731300 568814905 /nfs/dbraw/zinc/81/49/05/568814905.db2.gz MASSEHZTKBWEDU-UHFFFAOYSA-N 0 0 442.976 3.545 50 0 IHAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000015731957 568815008 /nfs/dbraw/zinc/81/50/08/568815008.db2.gz SJYNZECHQYPPDZ-UHFFFAOYSA-N 0 0 438.534 3.769 50 0 IHAARN CCCCc1nn2c(nc(CSc3n[nH]c(-c4ccc(OC)cc4)n3)cc2=O)s1 ZINC000015731872 568815079 /nfs/dbraw/zinc/81/50/79/568815079.db2.gz YICLGCLJPPPAOY-UHFFFAOYSA-N 0 0 428.543 3.580 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)c(Cl)c1 ZINC000015732599 568815499 /nfs/dbraw/zinc/81/54/99/568815499.db2.gz CSVQLOWKBHSOFU-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN C=C1C(NCC(=O)N[C@H]2CCCc3ccccc32)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015735851 568816880 /nfs/dbraw/zinc/81/68/80/568816880.db2.gz OHHTXLSBHCIRTN-NRFANRHFSA-N 0 0 437.565 3.560 50 0 IHAARN Cn1cc(NCc2ccc3c(c2)OCO3)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000085392169 568816944 /nfs/dbraw/zinc/81/69/44/568816944.db2.gz KNHMPHZFHKADSB-UHFFFAOYSA-N 0 0 434.374 3.912 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000001449935 568817645 /nfs/dbraw/zinc/81/76/45/568817645.db2.gz ATKXWSCFAYVARC-OAQYLSRUSA-N 0 0 426.538 3.939 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458443 568819434 /nfs/dbraw/zinc/81/94/34/568819434.db2.gz WCEFTKHJYSWKKN-JOCHJYFZSA-N 0 0 426.582 3.569 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001467279 568820372 /nfs/dbraw/zinc/82/03/72/568820372.db2.gz ZISUADLJNWXASH-OAQYLSRUSA-N 0 0 426.538 3.972 50 0 IHAARN CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000015772025 568822610 /nfs/dbraw/zinc/82/26/10/568822610.db2.gz LLXAQYRNCLFISV-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 ZINC000015772000 568822654 /nfs/dbraw/zinc/82/26/54/568822654.db2.gz BUTQHUHIQPKQIW-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000015771714 568822660 /nfs/dbraw/zinc/82/26/60/568822660.db2.gz DPCRUHXANABOLK-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n2o1 ZINC000015772300 568822849 /nfs/dbraw/zinc/82/28/49/568822849.db2.gz UVIRUDCNOBIZJD-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN CCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000015772457 568822863 /nfs/dbraw/zinc/82/28/63/568822863.db2.gz XMIIQPIEUHLZBW-UHFFFAOYSA-N 0 0 448.504 3.713 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(OC)c1 ZINC000015774095 568823003 /nfs/dbraw/zinc/82/30/03/568823003.db2.gz ZIXNYYKCKPOLNV-HSZRJFAPSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(OC)c1 ZINC000015774093 568823095 /nfs/dbraw/zinc/82/30/95/568823095.db2.gz ZIXNYYKCKPOLNV-QHCPKHFHSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN COc1ccc([C@@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)c(OC)c1OC ZINC000085587494 568825375 /nfs/dbraw/zinc/82/53/75/568825375.db2.gz MZBLMJZBUGWIMV-FQEVSTJZSA-N 0 0 442.497 3.572 50 0 IHAARN CCc1ccc(N2CC[C@@H](C(=O)NCc3cc(Br)ccc3OC)C2=O)cc1 ZINC000015782635 568826320 /nfs/dbraw/zinc/82/63/20/568826320.db2.gz PCIJASUVRGHYRB-SFHVURJKSA-N 0 0 431.330 3.689 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)CC1 ZINC000015782789 568826610 /nfs/dbraw/zinc/82/66/10/568826610.db2.gz IOFRISXBBNBERX-UHFFFAOYSA-N 0 0 434.565 3.972 50 0 IHAARN COc1cc(Nc2nc(C(=O)NC[C@H]3CCCO3)cc3occc32)cc(OC)c1OC ZINC000085651337 568831248 /nfs/dbraw/zinc/83/12/48/568831248.db2.gz PDINIEVXZVHYAA-CQSZACIVSA-N 0 0 427.457 3.506 50 0 IHAARN Cc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1C ZINC000085654125 568832447 /nfs/dbraw/zinc/83/24/47/568832447.db2.gz LTEGZIDMUDUWOE-UHFFFAOYSA-N 0 0 430.552 3.819 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000085654643 568832951 /nfs/dbraw/zinc/83/29/51/568832951.db2.gz OBODXSKWYXGLHW-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN COc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)CO2 ZINC000015787369 568836893 /nfs/dbraw/zinc/83/68/93/568836893.db2.gz WPCOFWHOZMKUQV-QGZVFWFLSA-N 0 0 435.446 3.549 50 0 IHAARN COc1ccc(C2=N/C(=C/c3cc(Br)c(OC(C)=O)c(OC)c3)C(=O)O2)cc1 ZINC000001511781 568837780 /nfs/dbraw/zinc/83/77/80/568837780.db2.gz OVOFRKZZCQSPQB-CXUHLZMHSA-N 0 0 446.253 3.736 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cc(Br)ccc3OC)N2C1=O ZINC000001019867 568838160 /nfs/dbraw/zinc/83/81/60/568838160.db2.gz GSDZNLHIGOLTGL-DZGCQCFKSA-N 0 0 439.331 3.669 50 0 IHAARN COc1cc(NC(=O)C2CCN(c3nc(-c4ccccc4)no3)CC2)cc(OC)c1OC ZINC000015821393 568839800 /nfs/dbraw/zinc/83/98/00/568839800.db2.gz MDWPVHIKYQQISC-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)NCCC(C)C)c3ccccc3S2(=O)=O)c1 ZINC000015826965 568840924 /nfs/dbraw/zinc/84/09/24/568840924.db2.gz RPDPJHITEUSTDI-UHFFFAOYSA-N 0 0 429.542 3.601 50 0 IHAARN OC1c2cc(I)ccc2-c2ccc(I)cc21 ZINC000004552085 568842032 /nfs/dbraw/zinc/84/20/32/568842032.db2.gz ABZISBKAAVQYFA-UHFFFAOYSA-N 0 0 434.014 3.958 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000100689543 568843372 /nfs/dbraw/zinc/84/33/72/568843372.db2.gz CBDNGZBGXXDVRS-RNLGNXJRSA-N 0 0 435.483 3.838 50 0 IHAARN COCc1cc(C)nc2sc3c(nnn(-c4cccc(C(=O)OCC(C)C)c4)c3=O)c21 ZINC000015835024 568843564 /nfs/dbraw/zinc/84/35/64/568843564.db2.gz ZALGFRMDQCGVJB-UHFFFAOYSA-N 0 0 438.509 3.658 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1ccc(-c2ccccc2)cc1 ZINC000254402834 568843971 /nfs/dbraw/zinc/84/39/71/568843971.db2.gz KQSZOQSYWIEUIS-JBXUNAHCSA-N 0 0 447.494 3.951 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CSCc3ccccc3)c2)nn1 ZINC000015880860 568854421 /nfs/dbraw/zinc/85/44/21/568854421.db2.gz XMGZGHZNWJFWOZ-UHFFFAOYSA-N 0 0 427.551 3.809 50 0 IHAARN CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(OC)cc(OC)c2)n1 ZINC000015881038 568854879 /nfs/dbraw/zinc/85/48/79/568854879.db2.gz HGFGMLVBGZQVNW-UHFFFAOYSA-N 0 0 441.509 3.993 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)c1 ZINC000015881061 568855534 /nfs/dbraw/zinc/85/55/34/568855534.db2.gz BCHSBCIRTZYCRK-UHFFFAOYSA-N 0 0 447.463 3.550 50 0 IHAARN COc1cccc(-c2ccc3nnc(SCC(=O)N4CCCc5ccccc54)n3n2)c1 ZINC000015881710 568856143 /nfs/dbraw/zinc/85/61/43/568856143.db2.gz SNMDQUFNOWEAQL-UHFFFAOYSA-N 0 0 431.521 3.871 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C ZINC000015882161 568856841 /nfs/dbraw/zinc/85/68/41/568856841.db2.gz LTBWENNHYFVANS-UHFFFAOYSA-N 0 0 438.553 3.706 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882612 568857093 /nfs/dbraw/zinc/85/70/93/568857093.db2.gz XTFCFRMZUCGCCK-QHCPKHFHSA-N 0 0 448.954 3.898 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000016021241 568863716 /nfs/dbraw/zinc/86/37/16/568863716.db2.gz GLRBRGKHYINNPQ-RJZVVRIISA-N 0 0 443.613 3.578 50 0 IHAARN CNC(=O)C1CCN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000012935970 568865032 /nfs/dbraw/zinc/86/50/32/568865032.db2.gz JSVPQJWBXABMND-UHFFFAOYSA-N 0 0 437.515 3.900 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@H]4Cc5ccccc5CN4C3=O)cc2)cc1 ZINC000016033948 568867626 /nfs/dbraw/zinc/86/76/26/568867626.db2.gz DDTNRFYYDXPQBX-HSZRJFAPSA-N 0 0 425.488 3.819 50 0 IHAARN COc1ccc(CCNC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1OC ZINC000012941675 568869884 /nfs/dbraw/zinc/86/98/84/568869884.db2.gz ZAKOGPIQOPLPTO-UHFFFAOYSA-N 0 0 428.510 3.817 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)c1c(C)cc(C)c(NC(C)=O)c1C ZINC000012943256 568870236 /nfs/dbraw/zinc/87/02/36/568870236.db2.gz HLSYRPPELUEZEY-UHFFFAOYSA-N 0 0 439.541 3.920 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)n2)cc1 ZINC000012943217 568870341 /nfs/dbraw/zinc/87/03/41/568870341.db2.gz OFXYKCYYMNHAIF-UHFFFAOYSA-N 0 0 443.569 3.957 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)on2)ccc1F ZINC000012945620 568870955 /nfs/dbraw/zinc/87/09/55/568870955.db2.gz VCBCGCKTVVJMPO-UHFFFAOYSA-N 0 0 432.473 3.868 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000575606400 568878045 /nfs/dbraw/zinc/87/80/45/568878045.db2.gz JFFDUIMTJOTDGU-UHFFFAOYSA-N 0 0 428.964 3.951 50 0 IHAARN CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1 ZINC000222028510 568885047 /nfs/dbraw/zinc/88/50/47/568885047.db2.gz AHIFEZGNBDOXHT-TZIWHRDSSA-N 0 0 439.961 3.558 50 0 IHAARN COc1ccc(-n2nncc2CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1F ZINC000090590540 568888515 /nfs/dbraw/zinc/88/85/15/568888515.db2.gz STKHSAAIGREKHU-UHFFFAOYSA-N 0 0 433.890 3.525 50 0 IHAARN CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1ccc(OCc3ccccc3)cc1)CS2 ZINC000090609860 568891594 /nfs/dbraw/zinc/89/15/94/568891594.db2.gz XRUSYTSMXPRUCV-HXUWFJFHSA-N 0 0 449.576 3.731 50 0 IHAARN CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000103139094 568893014 /nfs/dbraw/zinc/89/30/14/568893014.db2.gz YKXOWGMGGQRBQS-VBKFSLOCSA-N 0 0 447.491 3.953 50 0 IHAARN Cc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)c(C)c1 ZINC000012987639 568894988 /nfs/dbraw/zinc/89/49/88/568894988.db2.gz GMFZYHSWILUFSD-UHFFFAOYSA-N 0 0 448.544 3.920 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012996330 568896808 /nfs/dbraw/zinc/89/68/08/568896808.db2.gz XEHVPXSKWPUMHJ-IAQYHMDHSA-N 0 0 426.888 3.674 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1Br ZINC000012998766 568897761 /nfs/dbraw/zinc/89/77/61/568897761.db2.gz LFEUXHJIYHLOML-CQSZACIVSA-N 0 0 436.325 3.997 50 0 IHAARN CC(C)CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000013001513 568899006 /nfs/dbraw/zinc/89/90/06/568899006.db2.gz ACNQZFFYOBYCSN-CQSZACIVSA-N 0 0 431.396 3.788 50 0 IHAARN CCn1c(SCC(=O)N(C)CCOc2ccc(Br)cc2)nnc1C1CC1 ZINC000013010684 568900174 /nfs/dbraw/zinc/90/01/74/568900174.db2.gz KAOUEIWTSLMHRL-UHFFFAOYSA-N 0 0 439.379 3.567 50 0 IHAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001744149 568901046 /nfs/dbraw/zinc/90/10/46/568901046.db2.gz XCQDWVDGZYWDLH-LBPRGKRZSA-N 0 0 437.901 3.717 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)[nH]c2=O ZINC000013015465 568901324 /nfs/dbraw/zinc/90/13/24/568901324.db2.gz UGEWAKXIYTVVIA-IBGZPJMESA-N 0 0 435.480 3.620 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(C)cc2Cl)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000013019073 568902117 /nfs/dbraw/zinc/90/21/17/568902117.db2.gz BQUZGVRRYZJLQI-UHFFFAOYSA-N 0 0 438.981 3.521 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000013022692 568902611 /nfs/dbraw/zinc/90/26/11/568902611.db2.gz YHVIWYAEOREMQQ-DEOSSOPVSA-N 0 0 438.543 3.857 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)CC2=O)c(OC)c1 ZINC000253400987 568902904 /nfs/dbraw/zinc/90/29/04/568902904.db2.gz FHSXSNPSRYDCDL-YWZLYKJASA-N 0 0 433.508 3.732 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001791557 568908026 /nfs/dbraw/zinc/90/80/26/568908026.db2.gz UXENYNODOSWXGM-CQSZACIVSA-N 0 0 428.872 3.595 50 0 IHAARN O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239038621 568910446 /nfs/dbraw/zinc/91/04/46/568910446.db2.gz DOCSXCUUPHNBIH-IHBRBHLJSA-N 0 0 436.511 3.999 50 0 IHAARN CCc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239302813 568911124 /nfs/dbraw/zinc/91/11/24/568911124.db2.gz FORVXNHYHDOKPJ-NMOFPLQQSA-N 0 0 432.557 3.687 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000245324859 568914772 /nfs/dbraw/zinc/91/47/72/568914772.db2.gz ATTOXUAMESEZOQ-ACJLOTCBSA-N 0 0 448.441 3.974 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2COc3ccccc3O2)cc1 ZINC000089365491 568921273 /nfs/dbraw/zinc/92/12/73/568921273.db2.gz XORRNHBLVKCPRB-IBGZPJMESA-N 0 0 439.489 3.509 50 0 IHAARN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Cc1ccccc1 ZINC000089368678 568921348 /nfs/dbraw/zinc/92/13/48/568921348.db2.gz WXFPPGCVDDLENV-INIZCTEOSA-N 0 0 440.496 3.557 50 0 IHAARN C[C@H]1S[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(F)cc2)C1=O ZINC000016608102 568925343 /nfs/dbraw/zinc/92/53/43/568925343.db2.gz NUWAGMDIMPIDLW-WAIKUNEKSA-N 0 0 425.529 3.937 50 0 IHAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000016608778 568925438 /nfs/dbraw/zinc/92/54/38/568925438.db2.gz UGFJYBFFWDYECM-FQEVSTJZSA-N 0 0 445.585 3.530 50 0 IHAARN C[C@H]1S[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(F)cc2)C1=O ZINC000016608106 568925444 /nfs/dbraw/zinc/92/54/44/568925444.db2.gz NUWAGMDIMPIDLW-MWTRTKDXSA-N 0 0 425.529 3.937 50 0 IHAARN COc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 ZINC000089470272 568926571 /nfs/dbraw/zinc/92/65/71/568926571.db2.gz FXYNCZSLRSTSGL-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN CCCNC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450977 568928976 /nfs/dbraw/zinc/92/89/76/568928976.db2.gz AFIWZGDUPLMTFY-UHFFFAOYSA-N 0 0 441.605 3.910 50 0 IHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCCC1 ZINC000016653585 568929644 /nfs/dbraw/zinc/92/96/44/568929644.db2.gz VZNYTMKZPRHNDF-UHFFFAOYSA-N 0 0 435.517 3.759 50 0 IHAARN CCc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1 ZINC000064566200 568932971 /nfs/dbraw/zinc/93/29/71/568932971.db2.gz HZRZEWKYFWYPRE-UHFFFAOYSA-N 0 0 427.508 3.822 50 0 IHAARN Cc1ccccc1CC(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1 ZINC000064566149 568932973 /nfs/dbraw/zinc/93/29/73/568932973.db2.gz OWVLJYNKRFVWMC-UHFFFAOYSA-N 0 0 431.471 3.712 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1OC ZINC000064580447 568934346 /nfs/dbraw/zinc/93/43/46/568934346.db2.gz JWMTZDNZZVTFEL-UHFFFAOYSA-N 0 0 439.537 3.540 50 0 IHAARN CCn1c2cc(NC(=O)NCc3cccc(F)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000064591127 568935484 /nfs/dbraw/zinc/93/54/84/568935484.db2.gz RSYQJBVFBLLLKK-UHFFFAOYSA-N 0 0 425.508 3.904 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4F)nnc3c2=O)cc1C ZINC000064593582 568936113 /nfs/dbraw/zinc/93/61/13/568936113.db2.gz BTMJBQZVEFVVGE-UHFFFAOYSA-N 0 0 441.463 3.506 50 0 IHAARN Cc1cc(C)c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 ZINC000089568887 568937753 /nfs/dbraw/zinc/93/77/53/568937753.db2.gz AUWIABAPTRUVNI-VMPITWQZSA-N 0 0 434.945 3.630 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000016689626 568938156 /nfs/dbraw/zinc/93/81/56/568938156.db2.gz VKBBMZSDEWUHGX-MRXNPFEDSA-N 0 0 438.911 3.720 50 0 IHAARN Cc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc(=O)n2c1 ZINC000016689506 568938779 /nfs/dbraw/zinc/93/87/79/568938779.db2.gz CDWJMFZKYZVBPJ-UHFFFAOYSA-N 0 0 428.823 3.801 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cccc(F)c2)c1=O ZINC000064605080 568939063 /nfs/dbraw/zinc/93/90/63/568939063.db2.gz MIKXHSCRJYXOCH-UHFFFAOYSA-N 0 0 428.851 3.690 50 0 IHAARN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163839 568939593 /nfs/dbraw/zinc/93/95/93/568939593.db2.gz SCVHLNZCSIMTDW-VBQJREDUSA-N 0 0 443.219 3.553 50 0 IHAARN COc1ccc(-c2nnc3sc(SCC(=O)c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000027028933 568940240 /nfs/dbraw/zinc/94/02/40/568940240.db2.gz IEQCAMNCOOLCTG-UHFFFAOYSA-N 0 0 444.925 3.850 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002059822 568941210 /nfs/dbraw/zinc/94/12/10/568941210.db2.gz FQKKRMLEYKXHRJ-BARSGRSVSA-N 0 0 446.572 3.706 50 0 IHAARN CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000006631930 568941984 /nfs/dbraw/zinc/94/19/84/568941984.db2.gz VZDBJVDHCDKYGO-OAHLLOKOSA-N 0 0 439.375 3.555 50 0 IHAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NC4CC4)nn3c2NC(C)(C)C)cc1 ZINC000064703752 568944518 /nfs/dbraw/zinc/94/45/18/568944518.db2.gz LOIAFYZPTGLRDI-UHFFFAOYSA-N 0 0 426.590 3.945 50 0 IHAARN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036067065 568945079 /nfs/dbraw/zinc/94/50/79/568945079.db2.gz JCUJMZXRWAYJBY-NRFANRHFSA-N 0 0 429.948 3.881 50 0 IHAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2ccncc2)co1)Cc1cc(OC)ccc1OC ZINC000036082599 568946866 /nfs/dbraw/zinc/94/68/66/568946866.db2.gz NOARKEWBSAXIQU-QGZVFWFLSA-N 0 0 438.528 3.818 50 0 IHAARN Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccccc3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085724 568948119 /nfs/dbraw/zinc/94/81/19/568948119.db2.gz XOBITFIHUFJKBN-UHFFFAOYSA-N 0 0 446.894 3.657 50 0 IHAARN COc1ccc(-c2nc3cnccn3c2NCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000064759061 568951829 /nfs/dbraw/zinc/95/18/29/568951829.db2.gz KMGFYSDFFKTFBU-UHFFFAOYSA-N 0 0 445.479 3.617 50 0 IHAARN Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCO4)cc1C ZINC000036102772 568952646 /nfs/dbraw/zinc/95/26/46/568952646.db2.gz ZLOUJSGKIHURQK-UHFFFAOYSA-N 0 0 431.492 3.513 50 0 IHAARN Cc1ccc(OCc2nc(CN(CCN3CCOCC3)C(=O)C(C)C)cs2)cc1C ZINC000036106830 568953934 /nfs/dbraw/zinc/95/39/34/568953934.db2.gz XQSAPVRPNHKKEF-UHFFFAOYSA-N 0 0 431.602 3.656 50 0 IHAARN COCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119715 568956773 /nfs/dbraw/zinc/95/67/73/568956773.db2.gz MKMKOVMFWWJUSR-OAQYLSRUSA-N 0 0 444.597 3.774 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000036120071 568957015 /nfs/dbraw/zinc/95/70/15/568957015.db2.gz SQYXNKWYFHOPMI-IFMALSPDSA-N 0 0 442.581 3.589 50 0 IHAARN CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 ZINC000064789905 568957205 /nfs/dbraw/zinc/95/72/05/568957205.db2.gz XTAITCUQHORWSC-UHFFFAOYSA-N 0 0 446.507 3.876 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120312 568957349 /nfs/dbraw/zinc/95/73/49/568957349.db2.gz ZKVJUHLEFCGOIH-LJQANCHMSA-N 0 0 448.560 3.523 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C1CC1 ZINC000036123962 568958663 /nfs/dbraw/zinc/95/86/63/568958663.db2.gz JHAVIOROAYPTAE-IBGZPJMESA-N 0 0 427.570 3.755 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123607 568958694 /nfs/dbraw/zinc/95/86/94/568958694.db2.gz DFSBGZSQJHCOIO-LJQANCHMSA-N 0 0 431.533 3.586 50 0 IHAARN CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146400 568962711 /nfs/dbraw/zinc/96/27/11/568962711.db2.gz JQEZIMAUEPLQFF-PKTZIBPZSA-N 0 0 432.511 3.994 50 0 IHAARN CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)c2ccco2)ccc1N(C)C ZINC000006722336 568962981 /nfs/dbraw/zinc/96/29/81/568962981.db2.gz WMQMHBKCICKIMJ-UHFFFAOYSA-N 0 0 428.577 3.924 50 0 IHAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C ZINC000006722097 568963033 /nfs/dbraw/zinc/96/30/33/568963033.db2.gz PFNDHAMIAJISRK-UHFFFAOYSA-N 0 0 427.520 3.806 50 0 IHAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)cc1 ZINC000064815841 568963598 /nfs/dbraw/zinc/96/35/98/568963598.db2.gz IQKQIMNOJBFTPX-HSZRJFAPSA-N 0 0 438.553 3.954 50 0 IHAARN CC[C@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(Cl)cc1 ZINC000064817199 568964356 /nfs/dbraw/zinc/96/43/56/568964356.db2.gz OZKNZSVGCSEKFK-ZDUSSCGKSA-N 0 0 447.992 3.630 50 0 IHAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3cc(OC)ccc3OC)c(C)o2)cc1 ZINC000064817890 568964831 /nfs/dbraw/zinc/96/48/31/568964831.db2.gz AZIMILLRSVOMNO-UHFFFAOYSA-N 0 0 446.525 3.887 50 0 IHAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2Cc1cccc(Cl)c1 ZINC000064817648 568964883 /nfs/dbraw/zinc/96/48/83/568964883.db2.gz AARZKYVDXRJMDB-UHFFFAOYSA-N 0 0 426.879 3.577 50 0 IHAARN Cc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)C2=O ZINC000064816459 568965293 /nfs/dbraw/zinc/96/52/93/568965293.db2.gz SMYYZFCVTCEXRK-JOCHJYFZSA-N 0 0 426.879 3.720 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)(C)C ZINC000036158720 568966728 /nfs/dbraw/zinc/96/67/28/568966728.db2.gz QITLUEQXEBUKOT-INIZCTEOSA-N 0 0 435.634 3.888 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164087 568967836 /nfs/dbraw/zinc/96/78/36/568967836.db2.gz HCFIUGDPAOERPS-JOCHJYFZSA-N 0 0 447.507 3.840 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 ZINC000064835534 568968830 /nfs/dbraw/zinc/96/88/30/568968830.db2.gz SBXQNYMFRWAICC-UHFFFAOYSA-N 0 0 433.439 3.962 50 0 IHAARN O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)n[nH]1 ZINC000064837161 568969474 /nfs/dbraw/zinc/96/94/74/568969474.db2.gz LVDJUIGHAFKOBH-UHFFFAOYSA-N 0 0 443.956 3.734 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839503 568969719 /nfs/dbraw/zinc/96/97/19/568969719.db2.gz LCVKUPVJADHORN-NRFANRHFSA-N 0 0 432.524 3.943 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3ccc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000064837837 568970029 /nfs/dbraw/zinc/97/00/29/568970029.db2.gz QMMLNPSQVCBSLX-UHFFFAOYSA-N 0 0 426.480 3.723 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064838613 568970337 /nfs/dbraw/zinc/97/03/37/568970337.db2.gz RZGCGBBXWSKOMX-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848109 568971343 /nfs/dbraw/zinc/97/13/43/568971343.db2.gz YQXQUZQJXKCDMI-UHFFFAOYSA-N 0 0 432.933 3.841 50 0 biogenic IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848097 568971354 /nfs/dbraw/zinc/97/13/54/568971354.db2.gz FLOKCKFEKBDBSX-UHFFFAOYSA-N 0 0 445.976 3.587 50 0 biogenic IHAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000006744115 568971370 /nfs/dbraw/zinc/97/13/70/568971370.db2.gz RWWQECNHFRIHHX-UHFFFAOYSA-N 0 0 426.513 3.588 50 0 IHAARN Cc1sc2nc(CN(CCC(C)C)C[C@@H](O)COc3ccccc3)[nH]c(=O)c2c1C ZINC000036207047 568972692 /nfs/dbraw/zinc/97/26/92/568972692.db2.gz MKOKVDQDCKLTFL-GOSISDBHSA-N 0 0 429.586 3.889 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000006750847 568973599 /nfs/dbraw/zinc/97/35/99/568973599.db2.gz NXVUOHCPAZYMAH-GOSISDBHSA-N 0 0 425.558 3.649 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000006750848 568973610 /nfs/dbraw/zinc/97/36/10/568973610.db2.gz NXVUOHCPAZYMAH-SFHVURJKSA-N 0 0 425.558 3.649 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1C ZINC000064866657 568974668 /nfs/dbraw/zinc/97/46/68/568974668.db2.gz OLAFQVYEBLYVLB-UHFFFAOYSA-N 0 0 432.473 3.909 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210656 568974990 /nfs/dbraw/zinc/97/49/90/568974990.db2.gz FOPLOXVNMHBFQS-GCJKJVERSA-N 0 0 429.605 3.683 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2N1 ZINC000064869295 568975598 /nfs/dbraw/zinc/97/55/98/568975598.db2.gz XQTJAZRKZCBOFM-UHFFFAOYSA-N 0 0 431.851 3.713 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(C)c2Cl)c2ccccc2N1 ZINC000064869283 568975602 /nfs/dbraw/zinc/97/56/02/568975602.db2.gz XBHIZTRYLINMEA-UHFFFAOYSA-N 0 0 427.888 3.883 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036212638 568976593 /nfs/dbraw/zinc/97/65/93/568976593.db2.gz ZSYDHZIHWVOGNC-AUSIDOKSSA-N 0 0 435.568 3.561 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036213126 568976798 /nfs/dbraw/zinc/97/67/98/568976798.db2.gz WHYRXNQCGHARHT-YKSBVNFPSA-N 0 0 449.595 3.869 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036213120 568976857 /nfs/dbraw/zinc/97/68/57/568976857.db2.gz RQLKSRLNBGICKS-CVDCTZTESA-N 0 0 435.568 3.561 50 0 IHAARN O=C(NCCc1cccs1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873479 568978429 /nfs/dbraw/zinc/97/84/29/568978429.db2.gz XCMZPGBZDRCQMF-UHFFFAOYSA-N 0 0 449.507 3.985 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1=O ZINC000064873734 568978563 /nfs/dbraw/zinc/97/85/63/568978563.db2.gz UQQYROYPIBZNOO-UHFFFAOYSA-N 0 0 448.567 3.736 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cccc(C)c1C ZINC000064889036 568980076 /nfs/dbraw/zinc/98/00/76/568980076.db2.gz GTNPHTVTSXEURV-UHFFFAOYSA-N 0 0 428.558 3.712 50 0 IHAARN CCCn1c2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2nc(C)c1=O ZINC000064890434 568981291 /nfs/dbraw/zinc/98/12/91/568981291.db2.gz DYXVXORJCIQPFS-UHFFFAOYSA-N 0 0 436.468 3.858 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3cccc4c3CCCC4)n2)cc1 ZINC000064891600 568982606 /nfs/dbraw/zinc/98/26/06/568982606.db2.gz IGPAMAMSBJDMSU-UHFFFAOYSA-N 0 0 430.508 3.712 50 0 IHAARN O=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036254527 568984833 /nfs/dbraw/zinc/98/48/33/568984833.db2.gz YHOMKUKRJOPTQV-FQEVSTJZSA-N 0 0 438.399 3.836 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255750 568985000 /nfs/dbraw/zinc/98/50/00/568985000.db2.gz HXGGNTWTGFOPKR-FQEVSTJZSA-N 0 0 437.506 3.644 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000036255232 568985044 /nfs/dbraw/zinc/98/50/44/568985044.db2.gz KPJOPCUTWJJPIJ-JOCHJYFZSA-N 0 0 425.598 3.690 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)s3)CC2)c1 ZINC000064920227 568985427 /nfs/dbraw/zinc/98/54/27/568985427.db2.gz QZZQMAFACFMGNW-UHFFFAOYSA-N 0 0 444.582 3.803 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)cc1Cl ZINC000064922880 568985971 /nfs/dbraw/zinc/98/59/71/568985971.db2.gz NZLMZRZGTLKWSL-UHFFFAOYSA-N 0 0 439.965 3.668 50 0 IHAARN Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1-n1nnc2cccnc21 ZINC000064925716 568986601 /nfs/dbraw/zinc/98/66/01/568986601.db2.gz NGRDFGNQSIPQTI-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)c1=O ZINC000064926189 568986918 /nfs/dbraw/zinc/98/69/18/568986918.db2.gz DWMNNENOADRRSJ-UHFFFAOYSA-N 0 0 425.920 3.732 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000064927417 568987042 /nfs/dbraw/zinc/98/70/42/568987042.db2.gz LIHXLBMFYLENLQ-UHFFFAOYSA-N 0 0 436.487 3.625 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928516 568987588 /nfs/dbraw/zinc/98/75/88/568987588.db2.gz GRURJVFETDGEOY-QGZVFWFLSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928379 568987667 /nfs/dbraw/zinc/98/76/67/568987667.db2.gz UKTQZENIWPTTFT-OAHLLOKOSA-N 0 0 426.879 3.880 50 0 IHAARN Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)ccc2=O)cc1Cl ZINC000064928648 568987851 /nfs/dbraw/zinc/98/78/51/568987851.db2.gz KOMKBEOIFDTEOX-LJQANCHMSA-N 0 0 436.943 3.727 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929899 568988219 /nfs/dbraw/zinc/98/82/19/568988219.db2.gz MWURLCKLZMEGAY-SFHVURJKSA-N 0 0 440.500 3.844 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930969 568989183 /nfs/dbraw/zinc/98/91/83/568989183.db2.gz ZVKSUJRVCWOROD-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(C/C=C/c2ccccc2)CC1)CC3 ZINC000019370003 568989212 /nfs/dbraw/zinc/98/92/12/568989212.db2.gz TWCPKACPCNADSJ-VMPITWQZSA-N 0 0 428.580 3.692 50 0 biogenic IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000064942350 568991237 /nfs/dbraw/zinc/99/12/37/568991237.db2.gz SGRAXOIMDKCRPI-UHFFFAOYSA-N 0 0 446.891 3.614 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc(OC)c1OC ZINC000064942494 568991869 /nfs/dbraw/zinc/99/18/69/568991869.db2.gz KYZRDLWAZUUWPW-UHFFFAOYSA-N 0 0 442.493 3.501 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc1 ZINC000064945738 568992908 /nfs/dbraw/zinc/99/29/08/568992908.db2.gz MFABMPAMYOIMFR-UHFFFAOYSA-N 0 0 435.553 3.966 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1ccccc1Cl ZINC000064945749 568992939 /nfs/dbraw/zinc/99/29/39/568992939.db2.gz BVOAKTGOSGPKSW-UHFFFAOYSA-N 0 0 427.917 3.667 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)Nc1cccc(C(F)(F)F)c1 ZINC000064945690 568992960 /nfs/dbraw/zinc/99/29/60/568992960.db2.gz LXNSLIGHQVRSLN-UHFFFAOYSA-N 0 0 447.442 3.642 50 0 IHAARN CC(C)CCn1c2nn(Cc3cccc(Br)c3)c(=O)n2c2ccsc2c1=O ZINC000064946122 568993949 /nfs/dbraw/zinc/99/39/49/568993949.db2.gz WMZUSKUQTLLTJB-UHFFFAOYSA-N 0 0 447.358 3.729 50 0 IHAARN CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1 ZINC000064947445 568995103 /nfs/dbraw/zinc/99/51/03/568995103.db2.gz WFGFVPKZVLSDFM-UHFFFAOYSA-N 0 0 434.449 3.963 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000036310840 568996843 /nfs/dbraw/zinc/99/68/43/568996843.db2.gz MUZDPFYJIUNZND-QFIPXVFZSA-N 0 0 430.568 3.793 50 0 IHAARN COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000036311506 568997090 /nfs/dbraw/zinc/99/70/90/568997090.db2.gz NOHORPKLPGDZTL-SANMLTNESA-N 0 0 449.595 3.970 50 0 IHAARN COc1cc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc(OC)c1OC ZINC000064951898 568997168 /nfs/dbraw/zinc/99/71/68/568997168.db2.gz VCWOXTYGRKROFR-ZDUSSCGKSA-N 0 0 429.860 3.936 50 0 IHAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccs1 ZINC000036314152 568998941 /nfs/dbraw/zinc/99/89/41/568998941.db2.gz PZENNQPZXLJWGG-UHFFFAOYSA-N 0 0 441.553 3.837 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(C)(C)C)ccc4o3)CC2)cc1 ZINC000064957224 568999439 /nfs/dbraw/zinc/99/94/39/568999439.db2.gz NUZBESZDSGMEAF-UHFFFAOYSA-N 0 0 427.570 3.940 50 0 IHAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCC5(CC4)OCCO5)n3)o2)cc1 ZINC000064969934 569076202 /nfs/dbraw/zinc/07/62/02/569076202.db2.gz NNCSWRPWKSYITK-UHFFFAOYSA-N 0 0 445.479 3.699 50 0 IHAARN CC[C@@H](C(=O)NCc1cccc(C)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970920 569076328 /nfs/dbraw/zinc/07/63/28/569076328.db2.gz RIMKKZVQGRNGEF-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000064972321 569076923 /nfs/dbraw/zinc/07/69/23/569076923.db2.gz CYUXBRWKZBXXMD-QFIPXVFZSA-N 0 0 440.496 3.589 50 0 IHAARN CCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000064972443 569076939 /nfs/dbraw/zinc/07/69/39/569076939.db2.gz HJAFLMWLTDKKBV-VWLOTQADSA-N 0 0 448.588 3.989 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1Cl ZINC000064977641 569077486 /nfs/dbraw/zinc/07/74/86/569077486.db2.gz MJKFUABRBUJXNW-UHFFFAOYSA-N 0 0 427.871 3.599 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C(C)C)CC2)c1 ZINC000064977787 569077545 /nfs/dbraw/zinc/07/75/45/569077545.db2.gz CRLNQFGOHIANKF-UHFFFAOYSA-N 0 0 433.512 3.706 50 0 IHAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccccc1F)c(C)n2C ZINC000064977707 569077603 /nfs/dbraw/zinc/07/76/03/569077603.db2.gz RBKOKGJVPFXZSQ-UHFFFAOYSA-N 0 0 432.499 3.705 50 0 IHAARN Cc1cccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036342949 569079455 /nfs/dbraw/zinc/07/94/55/569079455.db2.gz VJJSBKVKXORGQT-HSZRJFAPSA-N 0 0 437.515 3.651 50 0 IHAARN Cc1cccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036342948 569079463 /nfs/dbraw/zinc/07/94/63/569079463.db2.gz VJJSBKVKXORGQT-QHCPKHFHSA-N 0 0 437.515 3.651 50 0 IHAARN COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC3(CC2)OCCO3)c1 ZINC000036343105 569079705 /nfs/dbraw/zinc/07/97/05/569079705.db2.gz ZFEYKRFDZDVQOX-XMMPIXPASA-N 0 0 449.551 3.520 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985434 569081978 /nfs/dbraw/zinc/08/19/78/569081978.db2.gz FTJJEJKCNUOKEL-IERDGZPVSA-N 0 0 430.570 3.855 50 0 IHAARN CC1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C2CC2)CC1 ZINC000064987301 569082482 /nfs/dbraw/zinc/08/24/82/569082482.db2.gz KFRLTRFRBQPRIF-UHFFFAOYSA-N 0 0 428.558 3.792 50 0 IHAARN COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccccc3F)n1C)OCCCO2 ZINC000064986931 569082483 /nfs/dbraw/zinc/08/24/83/569082483.db2.gz PGUPCTUTUXWGBH-UHFFFAOYSA-N 0 0 444.488 3.522 50 0 IHAARN COc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1OC ZINC000064987866 569082712 /nfs/dbraw/zinc/08/27/12/569082712.db2.gz JLNFHJTWYRDTNZ-UHFFFAOYSA-N 0 0 429.498 3.595 50 0 IHAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)o2)cc1OC ZINC000064987875 569082837 /nfs/dbraw/zinc/08/28/37/569082837.db2.gz YLFSGACDQSHQJG-UHFFFAOYSA-N 0 0 443.525 3.904 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000064988928 569082921 /nfs/dbraw/zinc/08/29/21/569082921.db2.gz UJXOGMBAOWPSQE-UHFFFAOYSA-N 0 0 438.528 3.638 50 0 IHAARN COc1cc(OC)c(NC(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc1Cl ZINC000064991430 569083572 /nfs/dbraw/zinc/08/35/72/569083572.db2.gz MPIDASMZLATKPA-UHFFFAOYSA-N 0 0 447.904 3.783 50 0 IHAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 ZINC000064988674 569083663 /nfs/dbraw/zinc/08/36/63/569083663.db2.gz VMQIOOBDKJWWNI-KRWDZBQOSA-N 0 0 428.432 3.570 50 0 IHAARN CCc1nnc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)s1 ZINC000065000221 569085871 /nfs/dbraw/zinc/08/58/71/569085871.db2.gz NOXXSEVNXGXROR-UHFFFAOYSA-N 0 0 440.500 3.798 50 0 IHAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)NC[C@@H]3CCCO3)c2C1 ZINC000065000861 569086004 /nfs/dbraw/zinc/08/60/04/569086004.db2.gz SQSSDUGRYLTZBC-INIZCTEOSA-N 0 0 428.916 3.555 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065007172 569087629 /nfs/dbraw/zinc/08/76/29/569087629.db2.gz OUQNKEIZZAFEAJ-UHFFFAOYSA-N 0 0 430.954 3.761 50 0 IHAARN Cc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)cc1C ZINC000065009428 569087974 /nfs/dbraw/zinc/08/79/74/569087974.db2.gz SBBDKTPEGKVHNQ-UHFFFAOYSA-N 0 0 438.553 3.833 50 0 IHAARN COc1ccc(-c2ccc(Nc3ccc(F)cc3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009587 569087999 /nfs/dbraw/zinc/08/79/99/569087999.db2.gz CDYHGQIDQOPNSQ-UHFFFAOYSA-N 0 0 428.489 3.819 50 0 IHAARN CCOc1ccc(-c2ccnc3c(C(=O)N4CCN(c5ccccc5)CC4)cnn32)cc1 ZINC000065026701 569090001 /nfs/dbraw/zinc/09/00/01/569090001.db2.gz REKACDIEKJTYCA-UHFFFAOYSA-N 0 0 427.508 3.757 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)NC1CCCCC1 ZINC000065025983 569090808 /nfs/dbraw/zinc/09/08/08/569090808.db2.gz POBUMGRMNFMETD-UHFFFAOYSA-N 0 0 446.020 3.998 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)Nc1ccccc1F ZINC000065025893 569090863 /nfs/dbraw/zinc/09/08/63/569090863.db2.gz BWSIBMBMDQYVOG-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN COc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1OC ZINC000065029796 569091114 /nfs/dbraw/zinc/09/11/14/569091114.db2.gz IJRRIHAIAQVTCS-UHFFFAOYSA-N 0 0 426.448 3.872 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)c1 ZINC000065034550 569092063 /nfs/dbraw/zinc/09/20/63/569092063.db2.gz KDNPGRTZTZGWFI-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000036383191 569092464 /nfs/dbraw/zinc/09/24/64/569092464.db2.gz MHACSOBOINOYLI-JOCHJYFZSA-N 0 0 440.503 3.522 50 0 IHAARN COc1ccc(CC(=O)N2CCCN(c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)cc1OC ZINC000169753111 569093356 /nfs/dbraw/zinc/09/33/56/569093356.db2.gz HMHBCGQMXROPQR-UHFFFAOYSA-N 0 0 448.567 3.992 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000169755592 569093451 /nfs/dbraw/zinc/09/34/51/569093451.db2.gz JAMIOFREQZFCQT-HNNXBMFYSA-N 0 0 431.359 3.838 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)COc4ccc(Cl)cc4)C3)n[nH]2)cc1 ZINC000169753673 569093558 /nfs/dbraw/zinc/09/35/58/569093558.db2.gz BFPQBTXQSRLIOD-GOSISDBHSA-N 0 0 440.931 3.903 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccccc4Br)C3)n[nH]2)cc1 ZINC000169753974 569093711 /nfs/dbraw/zinc/09/37/11/569093711.db2.gz GZUAVMHNONKZJN-HNNXBMFYSA-N 0 0 441.329 3.857 50 0 IHAARN COc1ccc(-c2nc(Cn3c(=O)c(CCO)c(C)nc3-c3ccc(F)cc3)c(C)o2)cc1 ZINC000169754364 569093818 /nfs/dbraw/zinc/09/38/18/569093818.db2.gz WWVYRMWLAMJMDB-UHFFFAOYSA-N 0 0 449.482 3.913 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CCc2nc3onc(C)c3c(N3CCCCC3)n2)c1 ZINC000065056292 569094829 /nfs/dbraw/zinc/09/48/29/569094829.db2.gz ANRNHABXLVWGME-UHFFFAOYSA-N 0 0 437.500 3.665 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)COc3ccc(Cl)cc3)C2)c1 ZINC000065058314 569095563 /nfs/dbraw/zinc/09/55/63/569095563.db2.gz GMILGPYQSRTXHB-HSZRJFAPSA-N 0 0 430.932 3.673 50 0 IHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000065059488 569096168 /nfs/dbraw/zinc/09/61/68/569096168.db2.gz MDHJRUBSUJQZRW-XMMPIXPASA-N 0 0 444.572 3.812 50 0 IHAARN COc1cc(NC(=O)Nc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)cc(OC)c1 ZINC000065060596 569096264 /nfs/dbraw/zinc/09/62/64/569096264.db2.gz WKPSMGLVVWOZTC-UHFFFAOYSA-N 0 0 430.848 3.556 50 0 IHAARN O=C(CN1CCN(c2nccs2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000036389990 569096726 /nfs/dbraw/zinc/09/67/26/569096726.db2.gz JWCLAIHSIQAKQE-LJQANCHMSA-N 0 0 430.624 3.562 50 0 IHAARN COc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1OC ZINC000169769216 569097984 /nfs/dbraw/zinc/09/79/84/569097984.db2.gz KWEKYIFOTPAFOA-QGZVFWFLSA-N 0 0 439.859 3.937 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 ZINC000065075962 569099177 /nfs/dbraw/zinc/09/91/77/569099177.db2.gz ICOGDKLJWWGGKK-UHFFFAOYSA-N 0 0 436.903 3.738 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1ccc(F)c(Cl)c1 ZINC000065075690 569099728 /nfs/dbraw/zinc/09/97/28/569099728.db2.gz ZTOAVVCWAOWVKX-UHFFFAOYSA-N 0 0 444.898 3.718 50 0 IHAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000036396914 569099997 /nfs/dbraw/zinc/09/99/97/569099997.db2.gz YNFDOYVYGFOZNJ-UHFFFAOYSA-N 0 0 445.928 3.690 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077636 569100293 /nfs/dbraw/zinc/10/02/93/569100293.db2.gz QHPWIBCYNRQBQU-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CCc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077440 569100301 /nfs/dbraw/zinc/10/03/01/569100301.db2.gz PCUXKZVMNGJRSL-CQSZACIVSA-N 0 0 432.567 3.874 50 0 IHAARN Cc1cc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077127 569100359 /nfs/dbraw/zinc/10/03/59/569100359.db2.gz AFGOADMPMPGWDP-UHFFFAOYSA-N 0 0 432.567 3.849 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077646 569100410 /nfs/dbraw/zinc/10/04/10/569100410.db2.gz WRBDVAVOUUOLDS-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078201 569100830 /nfs/dbraw/zinc/10/08/30/569100830.db2.gz FDSPDRSOZFRDLD-CQSZACIVSA-N 0 0 432.567 3.732 50 0 IHAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000065078207 569100840 /nfs/dbraw/zinc/10/08/40/569100840.db2.gz SVQVWEOYLQDKIK-AWEZNQCLSA-N 0 0 432.567 3.732 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065081669 569102066 /nfs/dbraw/zinc/10/20/66/569102066.db2.gz BFGXDSVRZRHAQE-UHFFFAOYSA-N 0 0 448.548 3.889 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)NC4CCCCC4)sc3C2)cc1 ZINC000065083472 569102261 /nfs/dbraw/zinc/10/22/61/569102261.db2.gz BLLGNJSKLZOXBT-UHFFFAOYSA-N 0 0 434.587 3.653 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)N4CCc5ccccc54)n3C)n2)cc1 ZINC000065099962 569104856 /nfs/dbraw/zinc/10/48/56/569104856.db2.gz HKDPKPICLASBKM-UHFFFAOYSA-N 0 0 432.509 3.522 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099769 569105266 /nfs/dbraw/zinc/10/52/66/569105266.db2.gz YFTLMIRSKBVIKA-UHFFFAOYSA-N 0 0 448.508 3.948 50 0 IHAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099721 569105292 /nfs/dbraw/zinc/10/52/92/569105292.db2.gz IQQQWPBHVWNTQA-UHFFFAOYSA-N 0 0 434.525 3.732 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc(NC(C)=O)c4)CC3)n2)cc1 ZINC000065111550 569107633 /nfs/dbraw/zinc/10/76/33/569107633.db2.gz GWFHOUKDZVJUEA-UHFFFAOYSA-N 0 0 447.495 3.673 50 0 IHAARN CC[C@@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O ZINC000036430679 569109130 /nfs/dbraw/zinc/10/91/30/569109130.db2.gz COZOTFGAPBDCNI-BFUOFWGJSA-N 0 0 425.872 3.742 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000065130885 569109269 /nfs/dbraw/zinc/10/92/69/569109269.db2.gz ZOHMOVHKCVVYTQ-UHFFFAOYSA-N 0 0 449.555 3.866 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)C1 ZINC000065132029 569109700 /nfs/dbraw/zinc/10/97/00/569109700.db2.gz GAQPPHMKOCNJFL-HNNXBMFYSA-N 0 0 447.992 3.603 50 0 IHAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)nc23)c1 ZINC000065150944 569111566 /nfs/dbraw/zinc/11/15/66/569111566.db2.gz FYHYGJFZRWMYKR-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)n1 ZINC000065154329 569112217 /nfs/dbraw/zinc/11/22/17/569112217.db2.gz KWAFHJUIXWPPDA-UHFFFAOYSA-N 0 0 432.436 3.542 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1cccc(Cl)c1 ZINC000065154442 569112221 /nfs/dbraw/zinc/11/22/21/569112221.db2.gz NCYPLSPWCYWQRT-UHFFFAOYSA-N 0 0 434.883 3.899 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCCc1ccc(Cl)cc1 ZINC000065154453 569112342 /nfs/dbraw/zinc/11/23/42/569112342.db2.gz ZDKRKMFPDALXNM-UHFFFAOYSA-N 0 0 448.910 3.941 50 0 IHAARN O=C(CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21)Nc1ccc(Cl)cc1F ZINC000065155290 569112451 /nfs/dbraw/zinc/11/24/51/569112451.db2.gz GMCCSSXRDDILJN-QFIPXVFZSA-N 0 0 428.822 3.839 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(N4CCSCC4)nc3)n2)cc1 ZINC000065165671 569113052 /nfs/dbraw/zinc/11/30/52/569113052.db2.gz NOJYPCAEBBOSCO-UHFFFAOYSA-N 0 0 439.566 3.969 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1F ZINC000065179358 569113530 /nfs/dbraw/zinc/11/35/30/569113530.db2.gz RKDPNQVTSKFFMI-MRXNPFEDSA-N 0 0 426.488 3.658 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3c(C)cc(C)c3-c3nc(C(C)C)no3)CC2)c1 ZINC000065186055 569114578 /nfs/dbraw/zinc/11/45/78/569114578.db2.gz ISFYSFHHUOCEJN-UHFFFAOYSA-N 0 0 437.544 3.636 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195473 569115430 /nfs/dbraw/zinc/11/54/30/569115430.db2.gz QAIXHQXUPKRINF-KRWDZBQOSA-N 0 0 437.927 3.939 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(C)cc4Cl)CC3=O)ccc21 ZINC000065195377 569115463 /nfs/dbraw/zinc/11/54/63/569115463.db2.gz CWKOLIOYWAPJJQ-INIZCTEOSA-N 0 0 425.916 3.939 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc32)cc1 ZINC000065210306 569116291 /nfs/dbraw/zinc/11/62/91/569116291.db2.gz DGDQIUQPADYVKX-UHFFFAOYSA-N 0 0 430.460 3.922 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1c(-c2ccccc2)nc2sc(C)nn21 ZINC000065217339 569116988 /nfs/dbraw/zinc/11/69/88/569116988.db2.gz CQGXIDXMMGHYJS-UHFFFAOYSA-N 0 0 448.957 3.907 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)c1 ZINC000065227980 569117625 /nfs/dbraw/zinc/11/76/25/569117625.db2.gz DQQFEPYARPGFAW-LJQANCHMSA-N 0 0 447.539 3.941 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)[nH]n2)c1 ZINC000065225956 569117872 /nfs/dbraw/zinc/11/78/72/569117872.db2.gz SRAMETOFCRXQGX-UHFFFAOYSA-N 0 0 433.480 3.932 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)[nH]n2)c1 ZINC000065225961 569117917 /nfs/dbraw/zinc/11/79/17/569117917.db2.gz DKEGCPSLMVDGCL-UHFFFAOYSA-N 0 0 433.480 3.932 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)c4ccc(OC)cc4)CC3)o2)cc1 ZINC000065229772 569118253 /nfs/dbraw/zinc/11/82/53/569118253.db2.gz KFNMVXDTVTWRPB-INIZCTEOSA-N 0 0 436.512 3.848 50 0 IHAARN Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000065228563 569118317 /nfs/dbraw/zinc/11/83/17/569118317.db2.gz AARPHQXDXFFURH-UHFFFAOYSA-N 0 0 435.915 3.653 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000036575361 569118496 /nfs/dbraw/zinc/11/84/96/569118496.db2.gz XWUDCZXMYUUTCY-AEFFLSMTSA-N 0 0 439.343 3.961 50 0 IHAARN O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000065231903 569118598 /nfs/dbraw/zinc/11/85/98/569118598.db2.gz UVHBRVFFRFGPBC-UHFFFAOYSA-N 0 0 449.462 3.878 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)cc1OC ZINC000065235705 569119244 /nfs/dbraw/zinc/11/92/44/569119244.db2.gz ZYKVGDPFDRDMHN-MRXNPFEDSA-N 0 0 429.476 3.894 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2C ZINC000065235541 569119269 /nfs/dbraw/zinc/11/92/69/569119269.db2.gz VRBYIXISYFNUIP-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(Cc4noc(-c5ccc6c(c5)OCO6)n4)ccn3n2)c1 ZINC000065235758 569119273 /nfs/dbraw/zinc/11/92/73/569119273.db2.gz SKWJYTAOPVOLMH-UHFFFAOYSA-N 0 0 441.447 3.607 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCC5)n4)ccn3n2)cc1 ZINC000065235871 569119414 /nfs/dbraw/zinc/11/94/14/569119414.db2.gz XVBLVCKGXAZMAG-UHFFFAOYSA-N 0 0 432.528 3.533 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC000036579856 569119621 /nfs/dbraw/zinc/11/96/21/569119621.db2.gz KHTZXSJJPXANJV-CTNGQTDRSA-N 0 0 438.915 3.505 50 0 IHAARN C=C1C(N2CCCN(C(=O)CCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239534 569120660 /nfs/dbraw/zinc/12/06/60/569120660.db2.gz JODYYQQOIOGDDX-UHFFFAOYSA-N 0 0 431.602 3.692 50 0 IHAARN COc1ccc2[nH]cc(CCN3C(=O)N[C@H](CCC(=O)Nc4cc(C)cc(C)c4)C3=O)c2c1 ZINC000036596326 569121391 /nfs/dbraw/zinc/12/13/91/569121391.db2.gz FTQSFYSYKAJJSV-JOCHJYFZSA-N 0 0 448.523 3.880 50 0 IHAARN CCn1ncc([C@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C ZINC000036616081 569122755 /nfs/dbraw/zinc/12/27/55/569122755.db2.gz YRJNLSOCAITPJJ-AWEZNQCLSA-N 0 0 432.528 3.968 50 0 IHAARN COCn1nc(C)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C ZINC000036616853 569122857 /nfs/dbraw/zinc/12/28/57/569122857.db2.gz MWYQIDMRCVHWNO-UHFFFAOYSA-N 0 0 434.500 3.622 50 0 IHAARN COc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4ccccn4)CC3)n2)cc1OC ZINC000036614063 569123949 /nfs/dbraw/zinc/12/39/49/569123949.db2.gz RIGZPYLTVOSWNC-UHFFFAOYSA-N 0 0 441.482 3.816 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3c(C)noc3n2)cc1 ZINC000036613851 569123985 /nfs/dbraw/zinc/12/39/85/569123985.db2.gz QFLOLDGREMPQHT-UHFFFAOYSA-N 0 0 432.480 3.758 50 0 IHAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)NCc3cccc(F)c3)CC2)n1 ZINC000065258100 569124347 /nfs/dbraw/zinc/12/43/47/569124347.db2.gz VGFNXRNJJVAKLS-UHFFFAOYSA-N 0 0 438.507 3.816 50 0 IHAARN Fc1ccc(-c2noc(-c3nnc(NCCCN4CCOCC4)c4ccccc43)n2)cc1 ZINC000065258326 569124357 /nfs/dbraw/zinc/12/43/57/569124357.db2.gz XIACRZNNIIDCIN-UHFFFAOYSA-N 0 0 434.475 3.620 50 0 IHAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccc(OC)cc1 ZINC000013131466 569125390 /nfs/dbraw/zinc/12/53/90/569125390.db2.gz KPATWBNYBDATGO-LJQANCHMSA-N 0 0 437.525 3.826 50 0 IHAARN CCc1cc(C(=O)NCc2cn(C)nc2C)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621611 569126187 /nfs/dbraw/zinc/12/61/87/569126187.db2.gz ITHSNDLUTODFNU-UHFFFAOYSA-N 0 0 432.503 3.971 50 0 IHAARN COc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC2CCCC2)cc1OC ZINC000065265897 569127307 /nfs/dbraw/zinc/12/73/07/569127307.db2.gz RARBTTLRNVFPLE-AREMUKBSSA-N 0 0 448.567 3.654 50 0 IHAARN CC(C)c1nnc2ccc(SCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)nn21 ZINC000524735159 569128031 /nfs/dbraw/zinc/12/80/31/569128031.db2.gz ALFVPOBMPUTKNB-UHFFFAOYSA-N 0 0 445.976 3.503 50 0 IHAARN CCOc1ccc(CC(=O)N2CCCn3nc(-c4ccc(OC)c(OC)c4)cc3C2)cc1 ZINC000065270113 569128068 /nfs/dbraw/zinc/12/80/68/569128068.db2.gz OTPJLHAHWOSKQU-UHFFFAOYSA-N 0 0 435.524 3.941 50 0 IHAARN COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)c(OC)c1 ZINC000065274314 569128411 /nfs/dbraw/zinc/12/84/11/569128411.db2.gz KCIMHFLFYQIFEA-UHFFFAOYSA-N 0 0 425.533 3.703 50 0 IHAARN CCCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)ncn1 ZINC000065274095 569128445 /nfs/dbraw/zinc/12/84/45/569128445.db2.gz RMTWHNXCCNPJDK-UHFFFAOYSA-N 0 0 436.604 3.644 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c(F)c1 ZINC000065273668 569129986 /nfs/dbraw/zinc/12/99/86/569129986.db2.gz RMCKHFNXXPIGCI-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)c1 ZINC000065273708 569130011 /nfs/dbraw/zinc/13/00/11/569130011.db2.gz BDYUCORMYQHICM-GOSISDBHSA-N 0 0 438.597 3.644 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4cnccn4)n3)c2)cs1 ZINC000036657952 569130244 /nfs/dbraw/zinc/13/02/44/569130244.db2.gz NCKXYLKYONVBDM-UHFFFAOYSA-N 0 0 436.522 3.799 50 0 IHAARN CCN(C(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1)c1cc(OC)ccc1OC ZINC000065292427 569130779 /nfs/dbraw/zinc/13/07/79/569130779.db2.gz ZKWWKSMOXDKEHJ-UHFFFAOYSA-N 0 0 448.523 3.989 50 0 IHAARN CCn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000065292955 569130926 /nfs/dbraw/zinc/13/09/26/569130926.db2.gz FBJTVGYFGSDGFD-LBPRGKRZSA-N 0 0 425.341 3.936 50 0 IHAARN Cc1oc(CNC(=O)c2ccccc2OC(F)(F)F)nc1C(=O)N1CCC(C)CC1 ZINC000065293737 569131078 /nfs/dbraw/zinc/13/10/78/569131078.db2.gz CCNJGPLILKSLTK-UHFFFAOYSA-N 0 0 425.407 3.684 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5ccccc5)CC4)nc32)cc1 ZINC000065296903 569131616 /nfs/dbraw/zinc/13/16/16/569131616.db2.gz ZBNISWMQDQJAIP-UHFFFAOYSA-N 0 0 433.537 3.761 50 0 IHAARN CCCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1 ZINC000065315457 569133997 /nfs/dbraw/zinc/13/39/97/569133997.db2.gz DQMVGTZTJIHGCD-UHFFFAOYSA-N 0 0 429.565 3.911 50 0 IHAARN Cc1cc(C)c(CNC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c(C)c1 ZINC000065314108 569135464 /nfs/dbraw/zinc/13/54/64/569135464.db2.gz IRABZCXWIUEFAS-QHCPKHFHSA-N 0 0 444.579 3.750 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314061 569135496 /nfs/dbraw/zinc/13/54/96/569135496.db2.gz LBQAFLUXHGMODF-HXUWFJFHSA-N 0 0 432.524 3.545 50 0 IHAARN CCOc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O ZINC000036701655 569135598 /nfs/dbraw/zinc/13/55/98/569135598.db2.gz WBBMFNAKLGKZHU-GESALYCCSA-N 0 0 427.892 3.694 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000036708434 569135805 /nfs/dbraw/zinc/13/58/05/569135805.db2.gz JGENJBHFHQNCIC-FQEVSTJZSA-N 0 0 435.549 3.612 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1c(C)cccc1C ZINC000065319886 569136046 /nfs/dbraw/zinc/13/60/46/569136046.db2.gz KWOPSERYGXIHAA-UHFFFAOYSA-N 0 0 443.598 3.821 50 0 IHAARN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 ZINC000065489714 569138731 /nfs/dbraw/zinc/13/87/31/569138731.db2.gz HWXPQEYNQLTXFB-WFASDCNBSA-N 0 0 427.302 3.867 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)C1 ZINC000007318564 569139047 /nfs/dbraw/zinc/13/90/47/569139047.db2.gz ITADOXXYGXCXFU-RTBURBONSA-N 0 0 427.618 3.850 50 0 IHAARN CC(C)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCO2 ZINC000065521955 569139170 /nfs/dbraw/zinc/13/91/70/569139170.db2.gz PAQARWWHPCUDPU-UHFFFAOYSA-N 0 0 430.451 3.597 50 0 IHAARN COCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000065532343 569139431 /nfs/dbraw/zinc/13/94/31/569139431.db2.gz QPYMTOANEXMUEM-LJQANCHMSA-N 0 0 425.286 3.716 50 0 IHAARN COC(=O)[C@@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1cc(F)ccc1F ZINC000065575788 569139781 /nfs/dbraw/zinc/13/97/81/569139781.db2.gz NFPHIHQWLSNKKI-FQEVSTJZSA-N 0 0 437.464 3.677 50 0 IHAARN O=C(OCc1csc(-c2ccccn2)n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000037141936 569140433 /nfs/dbraw/zinc/14/04/33/569140433.db2.gz OIKFUQSWVNMRAG-UHFFFAOYSA-N 0 0 434.926 3.908 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000009668961 569141285 /nfs/dbraw/zinc/14/12/85/569141285.db2.gz KZGQQVKGVZVLAX-UHFFFAOYSA-N 0 0 437.565 3.945 50 0 IHAARN CC(=O)N(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)c1c(F)cccc1Cl ZINC000170595820 569141755 /nfs/dbraw/zinc/14/17/55/569141755.db2.gz NEDRJUTVJWFCSY-LAUBAEHRSA-N 0 0 434.939 3.917 50 0 IHAARN COc1cccc(-n2c3ncn(Cc4cccc(Cl)c4)c3c(=O)n(CC(C)C)c2=O)c1 ZINC000037279822 569145641 /nfs/dbraw/zinc/14/56/41/569145641.db2.gz RCPNSZICNGYEOB-UHFFFAOYSA-N 0 0 438.915 3.715 50 0 IHAARN COc1cc2cc([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2c(OC)c1 ZINC000170612552 569146038 /nfs/dbraw/zinc/14/60/38/569146038.db2.gz OPQFHXSYHDQWFX-HNNXBMFYSA-N 0 0 435.889 3.609 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)c1 ZINC000170618166 569147014 /nfs/dbraw/zinc/14/70/14/569147014.db2.gz UXJRJCLZHMAVCB-IBGZPJMESA-N 0 0 439.537 3.814 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000170617465 569147357 /nfs/dbraw/zinc/14/73/57/569147357.db2.gz SRFAHFWJMSBSKR-MRXNPFEDSA-N 0 0 435.615 3.544 50 0 IHAARN CCN(CC)C(=O)COc1ccc2occ(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000170622159 569147880 /nfs/dbraw/zinc/14/78/80/569147880.db2.gz TZMRMAFRQWWJDO-UHFFFAOYSA-N 0 0 441.480 3.937 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)n(-c2ccccc2)n1 ZINC000009883630 569150119 /nfs/dbraw/zinc/15/01/19/569150119.db2.gz XRXFWOPAUWIHAI-UHFFFAOYSA-N 0 0 426.527 3.650 50 0 IHAARN Cc1ccccc1-c1nnn(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 ZINC000009884168 569150326 /nfs/dbraw/zinc/15/03/26/569150326.db2.gz CQLNLFCSXRJFBH-UHFFFAOYSA-N 0 0 447.520 3.715 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000009955486 569151270 /nfs/dbraw/zinc/15/12/70/569151270.db2.gz BWBULTIWOZDUAJ-UHFFFAOYSA-N 0 0 443.569 3.642 50 0 IHAARN COCc1c2ccccc2oc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010219417 569153759 /nfs/dbraw/zinc/15/37/59/569153759.db2.gz BGZJZBCINVYHGF-UHFFFAOYSA-N 0 0 436.464 3.799 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(F)cc2F)c(CSc2nc(C)cs2)cc1=O ZINC000010254625 569154197 /nfs/dbraw/zinc/15/41/97/569154197.db2.gz FSFRHJFNDSWISS-UHFFFAOYSA-N 0 0 437.493 3.831 50 0 IHAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)cc1 ZINC000071815143 569154672 /nfs/dbraw/zinc/15/46/72/569154672.db2.gz NNKMLNGRPJPEPG-UHFFFAOYSA-N 0 0 439.522 3.620 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4c(F)cccc4F)sc3C2)cc1 ZINC000013360337 569155271 /nfs/dbraw/zinc/15/52/71/569155271.db2.gz DKLKBTMFKINRHA-UHFFFAOYSA-N 0 0 449.504 3.729 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccccc1C(F)(F)F ZINC000013524618 569155491 /nfs/dbraw/zinc/15/54/91/569155491.db2.gz UBFAVAHCAKTDKM-UHFFFAOYSA-N 0 0 445.376 3.758 50 0 IHAARN C[C@@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1Cl ZINC000013572508 569155638 /nfs/dbraw/zinc/15/56/38/569155638.db2.gz ZAXUJUWHEXELPG-KFWWJZLASA-N 0 0 448.013 3.966 50 0 IHAARN C[C@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(Cl)c1 ZINC000013572506 569155683 /nfs/dbraw/zinc/15/56/83/569155683.db2.gz KMMQYOMPVVOGJD-ZNMIVQPWSA-N 0 0 448.013 3.966 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 ZINC000013710766 569156807 /nfs/dbraw/zinc/15/68/07/569156807.db2.gz BLCDQORHLSBUJF-HNNXBMFYSA-N 0 0 446.463 3.848 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801628 569157192 /nfs/dbraw/zinc/15/71/92/569157192.db2.gz FUQOQZAOQZOXOY-OAHLLOKOSA-N 0 0 429.879 3.677 50 0 IHAARN O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014121106 569157775 /nfs/dbraw/zinc/15/77/75/569157775.db2.gz AYOGBMPKLKQOHS-UHFFFAOYSA-N 0 0 435.452 3.573 50 0 IHAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)nc2n1 ZINC000089595927 569159687 /nfs/dbraw/zinc/15/96/87/569159687.db2.gz BEZFJCHCZAMCBF-KRWDZBQOSA-N 0 0 437.548 3.657 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 ZINC000089612076 569160019 /nfs/dbraw/zinc/16/00/19/569160019.db2.gz CBSORDLNSADIMR-UHFFFAOYSA-N 0 0 429.538 3.764 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000089636889 569160130 /nfs/dbraw/zinc/16/01/30/569160130.db2.gz KKFWNBQVEFUVGB-QGZVFWFLSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000089636885 569160131 /nfs/dbraw/zinc/16/01/31/569160131.db2.gz KKFWNBQVEFUVGB-KRWDZBQOSA-N 0 0 432.542 3.584 50 0 IHAARN Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCN(c4nccn5cnnc45)C3)c(F)c2)cc1 ZINC000089641033 569160269 /nfs/dbraw/zinc/16/02/69/569160269.db2.gz VWRJBVGJMRUMQV-SFHVURJKSA-N 0 0 444.514 3.885 50 0 IHAARN Cc1cc(C(C)(C)C)ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000014664412 569161239 /nfs/dbraw/zinc/16/12/39/569161239.db2.gz RBEZRRUNJVYYGR-UHFFFAOYSA-N 0 0 435.517 3.672 50 0 IHAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000016847795 569164021 /nfs/dbraw/zinc/16/40/21/569164021.db2.gz SDNBRNNYEVKXKH-QGZVFWFLSA-N 0 0 427.551 3.840 50 0 IHAARN COC(=O)c1cc(-c2ccccc2)nc2c1c(-c1ccco1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850623 569164789 /nfs/dbraw/zinc/16/47/89/569164789.db2.gz HQDPFEAXQSIPJI-HNNXBMFYSA-N 0 0 437.477 3.505 50 0 IHAARN O=C(Nc1cccc(Oc2ccccc2)c1)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000089825881 569165198 /nfs/dbraw/zinc/16/51/98/569165198.db2.gz QEWWRNBSOQRIQG-QHCPKHFHSA-N 0 0 436.533 3.889 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1cccs1 ZINC000089861199 569166259 /nfs/dbraw/zinc/16/62/59/569166259.db2.gz BAWKTCSYTYLQOJ-UHFFFAOYSA-N 0 0 441.530 3.535 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000016945209 569166973 /nfs/dbraw/zinc/16/69/73/569166973.db2.gz LLAMYQOQLBLKKH-DEOSSOPVSA-N 0 0 434.515 3.523 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000016954400 569167358 /nfs/dbraw/zinc/16/73/58/569167358.db2.gz YHCYHFWVFCUJKY-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1cccc(C(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)c1 ZINC000016960253 569168037 /nfs/dbraw/zinc/16/80/37/569168037.db2.gz URLAOTJYDPLTKI-DEOSSOPVSA-N 0 0 434.515 3.523 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000016959638 569168121 /nfs/dbraw/zinc/16/81/21/569168121.db2.gz NRVAFPZBZQIVHH-HXUWFJFHSA-N 0 0 449.525 3.849 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C[C@H]2C)c1 ZINC000089939379 569168202 /nfs/dbraw/zinc/16/82/02/569168202.db2.gz RMFOYXQAWHQRJP-MRXNPFEDSA-N 0 0 429.517 3.664 50 0 IHAARN CC[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccccc1OC(F)F ZINC000089947927 569168499 /nfs/dbraw/zinc/16/84/99/569168499.db2.gz ZOCSILISYFBDAZ-QGZVFWFLSA-N 0 0 427.469 3.792 50 0 IHAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1cc(C)nc2ccccc21 ZINC000016980850 569169278 /nfs/dbraw/zinc/16/92/78/569169278.db2.gz SXOGDJKKAPWFHC-UHFFFAOYSA-N 0 0 430.512 3.617 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc21 ZINC000016991298 569169515 /nfs/dbraw/zinc/16/95/15/569169515.db2.gz LUDLLZPAKDIHCE-JOCHJYFZSA-N 0 0 434.927 3.902 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 ZINC000017050948 569171763 /nfs/dbraw/zinc/17/17/63/569171763.db2.gz SHHNXCLDBVXXEH-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000017191380 569175873 /nfs/dbraw/zinc/17/58/73/569175873.db2.gz NCRSDDYSWHNDNR-UHFFFAOYSA-N 0 0 446.525 3.768 50 0 IHAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)c1 ZINC000001061762 569176571 /nfs/dbraw/zinc/17/65/71/569176571.db2.gz ZNCXEMXJQBMDTN-UHFFFAOYSA-N 0 0 440.974 3.864 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc12 ZINC000002550113 569177368 /nfs/dbraw/zinc/17/73/68/569177368.db2.gz BDAWXYPXXHNZFN-LBPRGKRZSA-N 0 0 426.494 3.547 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000170636935 569178308 /nfs/dbraw/zinc/17/83/08/569178308.db2.gz BGIMDOJRPHIVDF-SWLSCSKDSA-N 0 0 446.935 3.907 50 0 IHAARN O=C(Cc1ccccc1F)N1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000170640215 569180251 /nfs/dbraw/zinc/18/02/51/569180251.db2.gz WOISLPIKMONWLK-UHFFFAOYSA-N 0 0 427.863 3.661 50 0 IHAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 ZINC000002105265 569180990 /nfs/dbraw/zinc/18/09/90/569180990.db2.gz XFTQWUTXPFMYDX-DHLKQENFSA-N 0 0 425.488 3.954 50 0 biogenic IHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N23)c1 ZINC000002105245 569180996 /nfs/dbraw/zinc/18/09/96/569180996.db2.gz JDAGPWOCCGESNM-WIOPSUGQSA-N 0 0 441.487 3.655 50 0 biogenic IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000102942213 569181702 /nfs/dbraw/zinc/18/17/02/569181702.db2.gz IVIZFPPZXFBPMZ-AFXVXQJMSA-N 0 0 439.446 3.587 50 0 IHAARN CCOCCCN1CC(=O)N2[C@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002120284 569183434 /nfs/dbraw/zinc/18/34/34/569183434.db2.gz ITKRNTJIELMOCI-RPWUZVMVSA-N 0 0 445.563 3.864 50 0 biogenic IHAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(N)=O)CC1)occ3C(C)(C)C ZINC000002124690 569183919 /nfs/dbraw/zinc/18/39/19/569183919.db2.gz QWOLAYBJNMLFPJ-UHFFFAOYSA-N 0 0 438.524 3.802 50 0 biogenic IHAARN CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)c1nc2ccccc2[nH]1 ZINC000252481606 569186440 /nfs/dbraw/zinc/18/64/40/569186440.db2.gz CPAFCIQBHFBLLZ-IFXJQAMLSA-N 0 0 448.502 3.835 50 0 IHAARN CN(Cc1nc(-c2ccco2)no1)[C@@H]1CCCC[C@H]1N(C)Cc1nc(-c2ccco2)no1 ZINC000252512673 569188843 /nfs/dbraw/zinc/18/88/43/569188843.db2.gz UKXAOQPVDFDUKY-HZPDHXFCSA-N 0 0 438.488 3.848 50 0 IHAARN COC(=O)c1ccccc1-n1ncc(N[C@H](C)c2ccc3c(c2)OCO3)c(Cl)c1=O ZINC000170649156 569189401 /nfs/dbraw/zinc/18/94/01/569189401.db2.gz ODXZLQBRSCMAME-GFCCVEGCSA-N 0 0 427.844 3.574 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002180097 569190259 /nfs/dbraw/zinc/19/02/59/569190259.db2.gz SIRGLJRNNHMHRC-XMHGGMMESA-N 0 0 435.457 3.807 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002192082 569190622 /nfs/dbraw/zinc/19/06/22/569190622.db2.gz HXVMTVKDXDOWHQ-INIZCTEOSA-N 0 0 436.308 3.859 50 0 IHAARN COc1ccccc1-n1c(C[C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n[nH]c1=O ZINC000252570784 569191024 /nfs/dbraw/zinc/19/10/24/569191024.db2.gz XECXZYIKWZTCSJ-OAHLLOKOSA-N 0 0 441.919 3.709 50 0 IHAARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)n(-c2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000037399288 569194377 /nfs/dbraw/zinc/19/43/77/569194377.db2.gz RBVWEJSDJLFCLC-MRXNPFEDSA-N 0 0 433.895 3.683 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)cc1Cl ZINC000037399639 569194736 /nfs/dbraw/zinc/19/47/36/569194736.db2.gz TXOXXBANHOQGBF-KRWDZBQOSA-N 0 0 447.922 3.992 50 0 IHAARN CC(C)C(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037400568 569194922 /nfs/dbraw/zinc/19/49/22/569194922.db2.gz ARWGAILXOHQFNZ-IBGZPJMESA-N 0 0 435.517 3.757 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)ccc1OC ZINC000037400851 569195062 /nfs/dbraw/zinc/19/50/62/569195062.db2.gz XPNIVKVZTDAXPS-UHFFFAOYSA-N 0 0 447.484 3.998 50 0 IHAARN Cc1cn(Cc2ccccc2C(=O)NCc2ccncc2)/c(=N/C(=O)c2ccco2)s1 ZINC000037435783 569196122 /nfs/dbraw/zinc/19/61/22/569196122.db2.gz FXXNLSGSHQBNAR-RWEWTDSWSA-N 0 0 432.505 3.565 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000037444014 569197165 /nfs/dbraw/zinc/19/71/65/569197165.db2.gz AHPKAUWVZNSKBX-VMTLLXLJSA-N 0 0 434.540 3.985 50 0 IHAARN CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CO2 ZINC000037512607 569198070 /nfs/dbraw/zinc/19/80/70/569198070.db2.gz QDCFODZIKYBTTQ-UHFFFAOYSA-N 0 0 444.487 3.875 50 0 IHAARN CC[C@@H](C)NC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(C(C)C)c3)cc21 ZINC000037519838 569198307 /nfs/dbraw/zinc/19/83/07/569198307.db2.gz KQEOXYHLNCWCIW-QGZVFWFLSA-N 0 0 438.524 3.712 50 0 IHAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000037525361 569198982 /nfs/dbraw/zinc/19/89/82/569198982.db2.gz SASMMTARBLGBPH-NRFANRHFSA-N 0 0 436.556 3.694 50 0 IHAARN COCCNC(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC ZINC000037547261 569200116 /nfs/dbraw/zinc/20/01/16/569200116.db2.gz INNWGLOMDQVAHZ-UHFFFAOYSA-N 0 0 427.476 3.816 50 0 IHAARN CCOC(=O)c1c2cc(OCC(N)=O)c(Br)cc2oc1-c1ccc(OC)cc1 ZINC000002213023 569201765 /nfs/dbraw/zinc/20/17/65/569201765.db2.gz XPTGMRHFVNHPPP-UHFFFAOYSA-N 0 0 448.269 3.912 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN(C(=O)c2ccco2)C2CCCC2)C1 ZINC000037610214 569203019 /nfs/dbraw/zinc/20/30/19/569203019.db2.gz UFRCTRWOUFRULH-FQEVSTJZSA-N 0 0 446.931 3.624 50 0 IHAARN COc1ccc(Oc2cc(N3CCN(C(=O)c4cccc(OC)c4)[C@@H](C)C3)ncn2)cc1 ZINC000037623603 569203293 /nfs/dbraw/zinc/20/32/93/569203293.db2.gz OSAKQTURWUPHQP-KRWDZBQOSA-N 0 0 434.496 3.637 50 0 IHAARN Cc1cc(=O)c(C2=NCCS[C@H](c3cccc(I)c3)C2)c([O-])o1 ZINC000198440599 569209267 /nfs/dbraw/zinc/20/92/67/569209267.db2.gz ZCHSAECIOQBFNF-HNNXBMFYSA-N 0 0 441.290 3.926 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@@H](C)N(CC(=O)Nc3ccc(C)c(F)c3)C[C@H]2C)cc1F ZINC000252666516 569209722 /nfs/dbraw/zinc/20/97/22/569209722.db2.gz BSPBGEVINZEFRD-QZTJIDSGSA-N 0 0 444.526 3.553 50 0 IHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3[nH]c2=S)c1 ZINC000003631303 569211947 /nfs/dbraw/zinc/21/19/47/569211947.db2.gz YUVDFRHZWRILCZ-UHFFFAOYSA-N 0 0 437.477 3.588 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000027423021 569212813 /nfs/dbraw/zinc/21/28/13/569212813.db2.gz FESCATXYBYPGDF-UHFFFAOYSA-N 0 0 445.313 3.721 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2-c2cccc(C)c2)n1 ZINC000027432813 569213596 /nfs/dbraw/zinc/21/35/96/569213596.db2.gz JFUUKUDVGAYHMK-UHFFFAOYSA-N 0 0 434.529 3.696 50 0 IHAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000225068066 569215235 /nfs/dbraw/zinc/21/52/35/569215235.db2.gz SXZFEQNHHKIKGS-DYESRHJHSA-N 0 0 433.449 3.991 50 0 IHAARN CCOc1c(Br)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC ZINC000027489584 569215686 /nfs/dbraw/zinc/21/56/86/569215686.db2.gz CETZMSXWAPOKJA-MHWRWJLKSA-N 0 0 431.311 3.627 50 0 IHAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C ZINC000002264489 569216044 /nfs/dbraw/zinc/21/60/44/569216044.db2.gz VZPBVPGWLMJGJU-SFHVURJKSA-N 0 0 425.794 3.906 50 0 IHAARN CC[C@H](C)NC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002264283 569216090 /nfs/dbraw/zinc/21/60/90/569216090.db2.gz IONMTDDEFRDBBA-HNNXBMFYSA-N 0 0 447.539 3.955 50 0 IHAARN CC(=O)O[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000257347272 569263109 /nfs/dbraw/zinc/26/31/09/569263109.db2.gz CDKRMWAXMJVXDE-SGRVPLCJSA-N 0 0 432.557 3.743 50 0 IHAARN O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F ZINC000253409142 569265578 /nfs/dbraw/zinc/26/55/78/569265578.db2.gz ZNWUKBUKZKLXIR-MRXNPFEDSA-N 0 0 449.497 3.923 50 0 IHAARN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002465344 569266380 /nfs/dbraw/zinc/26/63/80/569266380.db2.gz GAPLBTJDSANJNH-UHFFFAOYSA-N 0 0 429.361 3.550 50 0 IHAARN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000253418329 569266688 /nfs/dbraw/zinc/26/66/88/569266688.db2.gz CHNJWSGXPNKPLY-HXUWFJFHSA-N 0 0 443.544 3.700 50 0 IHAARN Cc1onc(OC(F)F)c1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000253433123 569269350 /nfs/dbraw/zinc/26/93/50/569269350.db2.gz SIWWKWPCRNTFTF-UHFFFAOYSA-N 0 0 444.316 3.710 50 0 IHAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000027566189 569272829 /nfs/dbraw/zinc/27/28/29/569272829.db2.gz BLMPZWMRFNDEIA-OAHLLOKOSA-N 0 0 429.885 3.850 50 0 IHAARN CCOc1nc2sc3c(c2c2nnc(SCC(=O)N(CC)CC)n21)CC(C)(C)OC3 ZINC000002341305 569275209 /nfs/dbraw/zinc/27/52/09/569275209.db2.gz QNPQTSGADAMART-UHFFFAOYSA-N 0 0 449.602 3.550 50 0 IHAARN O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3Cl)ccc2[nH]1 ZINC000253537737 569284158 /nfs/dbraw/zinc/28/41/58/569284158.db2.gz XMOWBZANYZZYKY-UHFFFAOYSA-N 0 0 444.856 3.683 50 0 IHAARN CCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCCC)cc2)c2nc3ccccc3nc21 ZINC000002378319 569289695 /nfs/dbraw/zinc/28/96/95/569289695.db2.gz RNZHPVSGMSPTPJ-UHFFFAOYSA-N 0 0 431.496 3.863 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)c(Br)c1 ZINC000002380062 569290024 /nfs/dbraw/zinc/29/00/24/569290024.db2.gz DIXDZCRGKFMGGH-UHFFFAOYSA-N 0 0 436.310 3.600 50 0 IHAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009620718 569297413 /nfs/dbraw/zinc/29/74/13/569297413.db2.gz LSNZHNYPSKWYMI-OTOIZHKDSA-N 0 0 449.576 3.566 50 0 IHAARN COc1cc(OC)cc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002393510 569298076 /nfs/dbraw/zinc/29/80/76/569298076.db2.gz RRMQRBOIEYONBW-UHFFFAOYSA-N 0 0 433.512 3.949 50 0 IHAARN COCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002415877 569301418 /nfs/dbraw/zinc/30/14/18/569301418.db2.gz AVVZKZZAOZFXIU-UHFFFAOYSA-N 0 0 430.917 3.689 50 0 IHAARN COc1ccccc1Cn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002436259 569303814 /nfs/dbraw/zinc/30/38/14/569303814.db2.gz GZCUWYRSQYHOPO-INIZCTEOSA-N 0 0 432.480 3.559 50 0 IHAARN COc1ccccc1Cn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002436257 569303835 /nfs/dbraw/zinc/30/38/35/569303835.db2.gz GZCUWYRSQYHOPO-MRXNPFEDSA-N 0 0 432.480 3.559 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)sc2C)cc1 ZINC000012993117 569306085 /nfs/dbraw/zinc/30/60/85/569306085.db2.gz WUZFFWVCLKTOFB-DMZKTXOQSA-N 0 0 442.541 3.566 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCOc2ccc(OCC)cc2)c1C ZINC000012993717 569306119 /nfs/dbraw/zinc/30/61/19/569306119.db2.gz FCPNBEXPWCYAHI-INIZCTEOSA-N 0 0 431.485 3.790 50 0 IHAARN COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)on2)cc1 ZINC000013000739 569306151 /nfs/dbraw/zinc/30/61/51/569306151.db2.gz KPNKINAANVORIW-UHFFFAOYSA-N 0 0 447.944 3.510 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1OC ZINC000013009639 569306645 /nfs/dbraw/zinc/30/66/45/569306645.db2.gz ODMXHVYBDAYVJQ-UHFFFAOYSA-N 0 0 430.468 3.984 50 0 IHAARN Cc1ccccc1[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000013038920 569307843 /nfs/dbraw/zinc/30/78/43/569307843.db2.gz FKSBCNYXUWZNET-KRWDZBQOSA-N 0 0 428.554 3.646 50 0 IHAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013039969 569308022 /nfs/dbraw/zinc/30/80/22/569308022.db2.gz RPDVGEPOUJQSOV-UHFFFAOYSA-N 0 0 439.581 3.589 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000013041349 569308119 /nfs/dbraw/zinc/30/81/19/569308119.db2.gz GSOABEACXNIAQE-KXBFYZLASA-N 0 0 434.533 3.621 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013041348 569308156 /nfs/dbraw/zinc/30/81/56/569308156.db2.gz GSOABEACXNIAQE-HNAYVOBHSA-N 0 0 434.533 3.621 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000013061354 569308659 /nfs/dbraw/zinc/30/86/59/569308659.db2.gz CJONAEDLNFMUIK-UHFFFAOYSA-N 0 0 448.894 3.744 50 0 IHAARN CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013108021 569310129 /nfs/dbraw/zinc/31/01/29/569310129.db2.gz UXMWUJKVRLVEDV-UHFFFAOYSA-N 0 0 429.879 3.926 50 0 IHAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC ZINC000002454296 569311000 /nfs/dbraw/zinc/31/10/00/569311000.db2.gz QTKQFZLKZDTWPJ-UHFFFAOYSA-N 0 0 435.509 3.872 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccccc1 ZINC000013141185 569311823 /nfs/dbraw/zinc/31/18/23/569311823.db2.gz LGYLGNFDRIRWJC-UHFFFAOYSA-N 0 0 428.432 3.665 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@H](C)O1 ZINC000013146439 569311878 /nfs/dbraw/zinc/31/18/78/569311878.db2.gz BKCXNDKPVSOVNB-OKILXGFUSA-N 0 0 442.459 3.756 50 0 IHAARN COc1ccc(CNC(=O)CN2c3cc(CC(C)C)sc3SCC2=O)c(OC)c1 ZINC000013358705 569313715 /nfs/dbraw/zinc/31/37/15/569313715.db2.gz QLUZOUXIYGBFAK-UHFFFAOYSA-N 0 0 434.583 3.719 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(C)c3C)cc2C[C@H]1C ZINC000013365822 569314257 /nfs/dbraw/zinc/31/42/57/569314257.db2.gz UJIIFZUYRVYCIY-MRXNPFEDSA-N 0 0 428.554 3.794 50 0 IHAARN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCc1ccc(Br)cc1 ZINC000328592416 569317141 /nfs/dbraw/zinc/31/71/41/569317141.db2.gz YLESNUYBTYSRJS-UNMCSNQZSA-N 0 0 431.374 3.912 50 0 IHAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cccnc1)c1cccc(Cl)n1 ZINC000328597032 569317966 /nfs/dbraw/zinc/31/79/66/569317966.db2.gz CQTYBUNLDKCLLC-UHFFFAOYSA-N 0 0 437.855 3.973 50 0 IHAARN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 ZINC000078814423 569319317 /nfs/dbraw/zinc/31/93/17/569319317.db2.gz GBLOGLAVEUQFBT-FCHUYYIVSA-N 0 0 435.524 3.912 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000078879138 569319981 /nfs/dbraw/zinc/31/99/81/569319981.db2.gz ZBINPDZXCONIGI-UHFFFAOYSA-N 0 0 429.484 3.659 50 0 IHAARN Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(F)(F)F ZINC000078968486 569320757 /nfs/dbraw/zinc/32/07/57/569320757.db2.gz DMBUOKKGQRBEHD-ABAIWWIYSA-N 0 0 434.256 3.987 50 0 IHAARN COc1cc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)ccc1OC(F)F ZINC000019532138 569320798 /nfs/dbraw/zinc/32/07/98/569320798.db2.gz QVZPAEAAGPOOPO-UHFFFAOYSA-N 0 0 430.455 3.861 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(COc2cccc(-c3nc4cc(F)ccc4n3C)c2)o1 ZINC000078991498 569321595 /nfs/dbraw/zinc/32/15/95/569321595.db2.gz HVZXSGXDHTZWFM-UHFFFAOYSA-N 0 0 429.473 3.802 50 0 IHAARN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000079014476 569321972 /nfs/dbraw/zinc/32/19/72/569321972.db2.gz GSZWQCWLILYVOU-MRXNPFEDSA-N 0 0 428.485 3.710 50 0 IHAARN CCN(CCN(C)CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000079021465 569322473 /nfs/dbraw/zinc/32/24/73/569322473.db2.gz JLTITAAIAOGYRW-MRXNPFEDSA-N 0 0 433.902 3.535 50 0 IHAARN CC(C)Cn1nc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c2ccccc2c1=O ZINC000079024726 569322776 /nfs/dbraw/zinc/32/27/76/569322776.db2.gz VMNUXUYBSVHBLP-NRFANRHFSA-N 0 0 433.552 3.916 50 0 IHAARN Cc1c(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cccnc21 ZINC000079025358 569322837 /nfs/dbraw/zinc/32/28/37/569322837.db2.gz UWPPTCBAMOAWJW-OAHLLOKOSA-N 0 0 439.479 3.589 50 0 IHAARN CCc1ccc(-c2noc(CN(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000079055992 569323626 /nfs/dbraw/zinc/32/36/26/569323626.db2.gz UCZVZDQDEFGWRC-LJQANCHMSA-N 0 0 429.517 3.627 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1 ZINC000079098115 569325393 /nfs/dbraw/zinc/32/53/93/569325393.db2.gz WVLDDYHDFBQUCL-UHFFFAOYSA-N 0 0 448.136 3.653 50 0 IHAARN COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)c1 ZINC000079112469 569326359 /nfs/dbraw/zinc/32/63/59/569326359.db2.gz CZAUBOSUMBOUST-FQEVSTJZSA-N 0 0 429.542 3.791 50 0 IHAARN COC(=O)c1ccc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)cc1 ZINC000079189703 569327965 /nfs/dbraw/zinc/32/79/65/569327965.db2.gz UHFZHLOXLYOFEV-KNQAVFIVSA-N 0 0 446.411 3.906 50 0 biogenic IHAARN O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 ZINC000019819342 569329882 /nfs/dbraw/zinc/32/98/82/569329882.db2.gz NFRASDZXRDIEER-UHFFFAOYSA-N 0 0 427.913 3.880 50 0 IHAARN Cc1c(C(=O)NCCn2ccc3ccc(Br)cc32)sc2[nH]c(C)nc(=O)c12 ZINC000079474829 569330597 /nfs/dbraw/zinc/33/05/97/569330597.db2.gz UXJDGUBPHQNGSK-UHFFFAOYSA-N 0 0 445.342 3.749 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(CSc4nc(C)cc(C)n4)o3)CC2)c1 ZINC000079481200 569330830 /nfs/dbraw/zinc/33/08/30/569330830.db2.gz HYYABMIOLSZLDV-UHFFFAOYSA-N 0 0 438.553 3.950 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2 ZINC000079488726 569331234 /nfs/dbraw/zinc/33/12/34/569331234.db2.gz ZHJCXLJJSRAGCH-UHFFFAOYSA-N 0 0 441.440 3.765 50 0 IHAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000079491474 569331293 /nfs/dbraw/zinc/33/12/93/569331293.db2.gz DUFQYTJSPVMIJJ-UHFFFAOYSA-N 0 0 446.960 3.509 50 0 IHAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 ZINC000020069181 569333106 /nfs/dbraw/zinc/33/31/06/569333106.db2.gz UYBUAWCLIDBNKF-WOJBJXKFSA-N 0 0 431.521 3.922 50 0 IHAARN CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000020136047 569335667 /nfs/dbraw/zinc/33/56/67/569335667.db2.gz TVNKNVNMCRFGRT-UHFFFAOYSA-N 0 0 428.602 3.647 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccc(C)c3)c2=O)c1 ZINC000020153126 569353397 /nfs/dbraw/zinc/35/33/97/569353397.db2.gz QZWGXHIPPNTJHA-UHFFFAOYSA-N 0 0 441.531 3.915 50 0 IHAARN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213962 569356489 /nfs/dbraw/zinc/35/64/89/569356489.db2.gz YKXCUFVSKKXTAA-OAQYLSRUSA-N 0 0 425.916 3.964 50 0 IHAARN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213965 569356567 /nfs/dbraw/zinc/35/65/67/569356567.db2.gz YKXCUFVSKKXTAA-NRFANRHFSA-N 0 0 425.916 3.964 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000020242033 569358172 /nfs/dbraw/zinc/35/81/72/569358172.db2.gz HEBXUYHJSCEJBQ-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN O=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020377501 569362241 /nfs/dbraw/zinc/36/22/41/569362241.db2.gz MABOFVMRBRAPRI-UHFFFAOYSA-N 0 0 437.565 3.636 50 0 IHAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000080356992 569363306 /nfs/dbraw/zinc/36/33/06/569363306.db2.gz DFNGYJFFBFOERS-ILBGXUMGSA-N 0 0 430.548 3.809 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O ZINC000095405521 569364450 /nfs/dbraw/zinc/36/44/50/569364450.db2.gz KWZCAMFASZLIQG-MWTRTKDXSA-N 0 0 449.523 3.600 50 0 IHAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000020416087 569364587 /nfs/dbraw/zinc/36/45/87/569364587.db2.gz ZXZWETHMYJLGQD-FQEVSTJZSA-N 0 0 431.540 3.528 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000020416931 569364648 /nfs/dbraw/zinc/36/46/48/569364648.db2.gz QWQORAIAXMIXDW-QGZVFWFLSA-N 0 0 443.507 3.962 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417077 569364823 /nfs/dbraw/zinc/36/48/23/569364823.db2.gz NXLYVGPPRLOSNK-SFHVURJKSA-N 0 0 428.536 3.783 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@@](C)(O)[C@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000095407056 569364829 /nfs/dbraw/zinc/36/48/29/569364829.db2.gz PXYJHCBYBUCPGB-MYYSRTQBSA-N 0 0 439.464 3.959 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)c1 ZINC000020417324 569364897 /nfs/dbraw/zinc/36/48/97/569364897.db2.gz OQDKHWUKUVMBHU-UHFFFAOYSA-N 0 0 446.482 3.844 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3ccc(C)cc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417291 569364910 /nfs/dbraw/zinc/36/49/10/569364910.db2.gz BRCLHYBKGVDJOD-UHFFFAOYSA-N 0 0 432.499 3.627 50 0 IHAARN CC(C)[C@H](NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000095414237 569365300 /nfs/dbraw/zinc/36/53/00/569365300.db2.gz DJWWIUBQBOSQCQ-HNNXBMFYSA-N 0 0 427.427 3.774 50 0 IHAARN COc1cc(NC(=O)CN2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc(OC)c1OC ZINC000095446868 569367356 /nfs/dbraw/zinc/36/73/56/569367356.db2.gz OPDFJNPFVBONFG-MRXNPFEDSA-N 0 0 438.528 3.715 50 0 IHAARN CN(C)c1nccc(CN(C)c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)n1 ZINC000095460574 569369644 /nfs/dbraw/zinc/36/96/44/569369644.db2.gz HRYBTKDCJCAMNB-UHFFFAOYSA-N 0 0 429.315 3.591 50 0 IHAARN O=C(Nc1ccc2ncc(Cl)n2c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000095464830 569370565 /nfs/dbraw/zinc/37/05/65/569370565.db2.gz NVTLRFOAAFDGCJ-OAHLLOKOSA-N 0 0 447.720 3.994 50 0 IHAARN Cc1ccc(OC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1 ZINC000095464895 569370647 /nfs/dbraw/zinc/37/06/47/569370647.db2.gz OGOYTJMJQWCEGG-OAQYLSRUSA-N 0 0 429.948 3.868 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465237 569370679 /nfs/dbraw/zinc/37/06/79/569370679.db2.gz WNJGZCJKPUKVNI-RDBSUJKOSA-N 0 0 442.869 3.770 50 0 IHAARN COc1ccc(C)cc1-n1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000095466095 569370777 /nfs/dbraw/zinc/37/07/77/569370777.db2.gz FJANUCQLSNNSRP-UHFFFAOYSA-N 0 0 433.434 3.882 50 0 IHAARN COc1ccc([C@H](NC(=O)CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 ZINC000095466604 569370911 /nfs/dbraw/zinc/37/09/11/569370911.db2.gz ULWVTNJUGLLVNK-FGZHOGPDSA-N 0 0 437.544 3.940 50 0 IHAARN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000095473353 569372331 /nfs/dbraw/zinc/37/23/31/569372331.db2.gz VYCWZONODUPBET-MRXNPFEDSA-N 0 0 443.338 3.994 50 0 IHAARN COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095474992 569372615 /nfs/dbraw/zinc/37/26/15/569372615.db2.gz HZJVATAYCVUHNK-CQSZACIVSA-N 0 0 434.901 3.720 50 0 IHAARN CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)[nH]n2)c1C ZINC000095476710 569373006 /nfs/dbraw/zinc/37/30/06/569373006.db2.gz KULUWKRQMDCKOO-UHFFFAOYSA-N 0 0 427.936 3.687 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3nnc4ccccn43)c(Cl)cc12 ZINC000095479221 569373702 /nfs/dbraw/zinc/37/37/02/569373702.db2.gz FABCDNXQSZWGJE-ZDUSSCGKSA-N 0 0 440.887 3.698 50 0 IHAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000095944080 569375704 /nfs/dbraw/zinc/37/57/04/569375704.db2.gz HXXFERJCBLCPIV-HNNXBMFYSA-N 0 0 433.574 3.607 50 0 IHAARN COc1ccccc1N1CCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)CC1 ZINC000095946683 569376188 /nfs/dbraw/zinc/37/61/88/569376188.db2.gz VGOPIBQRZKDGNM-UHFFFAOYSA-N 0 0 448.592 3.838 50 0 IHAARN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000095957498 569376939 /nfs/dbraw/zinc/37/69/39/569376939.db2.gz XVYDOGJGHFSOTN-WMZOPIPTSA-N 0 0 430.570 3.968 50 0 IHAARN COc1ccc(Cn2ncc(Br)c2NS(=O)(=O)c2ccccc2C)cc1 ZINC000095977798 569377802 /nfs/dbraw/zinc/37/78/02/569377802.db2.gz CMVMCWWGUJTRPW-UHFFFAOYSA-N 0 0 436.331 3.812 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@H](C)O1 ZINC000095986357 569378096 /nfs/dbraw/zinc/37/80/96/569378096.db2.gz XOYSQKOOTCOMOP-TXEJJXNPSA-N 0 0 444.887 3.668 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)nc1Br ZINC000096005978 569379364 /nfs/dbraw/zinc/37/93/64/569379364.db2.gz CUYDIENHDUEURO-UHFFFAOYSA-N 0 0 440.341 3.964 50 0 IHAARN CC(C)OCCS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000096006740 569379439 /nfs/dbraw/zinc/37/94/39/569379439.db2.gz NNABDLRWBHJCLP-FQEVSTJZSA-N 0 0 445.503 3.996 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 ZINC000096006811 569379517 /nfs/dbraw/zinc/37/95/17/569379517.db2.gz NXTGFVBSDQUWOZ-INIZCTEOSA-N 0 0 441.492 3.721 50 0 IHAARN Cc1nnc2ccc(C(=O)Nc3ccccc3N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn12 ZINC000096011782 569379919 /nfs/dbraw/zinc/37/99/19/569379919.db2.gz RQZAZMYGJDDFDU-QGZVFWFLSA-N 0 0 436.516 3.711 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)[nH]n2)c1 ZINC000096096905 569381326 /nfs/dbraw/zinc/38/13/26/569381326.db2.gz XYCLPEYYWBSYET-UHFFFAOYSA-N 0 0 442.903 3.826 50 0 IHAARN O=S(=O)(c1cccc2cccnc21)N1CCC(Oc2ncccc2Br)CC1 ZINC000096097013 569381447 /nfs/dbraw/zinc/38/14/47/569381447.db2.gz CBKOYRFHJVXDER-UHFFFAOYSA-N 0 0 448.342 3.624 50 0 IHAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1S(=O)(=O)C(F)F ZINC000096098423 569381527 /nfs/dbraw/zinc/38/15/27/569381527.db2.gz RAGSDJZXNASGTA-UHFFFAOYSA-N 0 0 446.431 3.731 50 0 IHAARN O=C(CCCc1ccccc1)NC1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000096102245 569381955 /nfs/dbraw/zinc/38/19/55/569381955.db2.gz NUFCGGJYQPQBKN-UHFFFAOYSA-N 0 0 431.462 3.856 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)c1 ZINC000096105367 569382339 /nfs/dbraw/zinc/38/23/39/569382339.db2.gz IQAUIPKDSAOQLA-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000096116706 569383834 /nfs/dbraw/zinc/38/38/34/569383834.db2.gz IXCIPJWUUATRFN-FZKQIMNGSA-N 0 0 433.530 3.511 50 0 IHAARN COC(=O)c1nc(NC(=O)CCCc2nnc3ccccn32)sc1Cc1ccccc1 ZINC000096116938 569384016 /nfs/dbraw/zinc/38/40/16/569384016.db2.gz STPOJVIJLGDWIT-UHFFFAOYSA-N 0 0 435.509 3.525 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117766 569384326 /nfs/dbraw/zinc/38/43/26/569384326.db2.gz HFWUDNXEXUELCY-XIKOKIGWSA-N 0 0 433.530 3.511 50 0 IHAARN CC(C)Cn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096125020 569385632 /nfs/dbraw/zinc/38/56/32/569385632.db2.gz UISQVLPURLILMC-OAHLLOKOSA-N 0 0 434.512 3.619 50 0 IHAARN COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2cccc3c2ccn3CC(C)C)C1=O ZINC000096221483 569386945 /nfs/dbraw/zinc/38/69/45/569386945.db2.gz UWFHLNYCNQPJHY-FQEVSTJZSA-N 0 0 448.523 3.755 50 0 biogenic IHAARN COc1ccc2c(C)c(CCC(=O)NCCCc3nc4ccccc4n3C)c(=O)oc2c1C ZINC000096222264 569387189 /nfs/dbraw/zinc/38/71/89/569387189.db2.gz VZKVCJUBXDHABK-UHFFFAOYSA-N 0 0 447.535 3.987 50 0 biogenic IHAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2cccc(Cl)c2)c(=O)n1CC1CC1 ZINC000096280800 569389656 /nfs/dbraw/zinc/38/96/56/569389656.db2.gz LXFLCPHTMWQUHM-UHFFFAOYSA-N 0 0 442.853 3.739 50 0 IHAARN CCc1nc([C@H](C)CC)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1ccccc1F ZINC000096317215 569393234 /nfs/dbraw/zinc/39/32/34/569393234.db2.gz ZWMGJVPKCKLMJD-QGZVFWFLSA-N 0 0 448.608 3.754 50 0 IHAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccccc1F ZINC000096317217 569393239 /nfs/dbraw/zinc/39/32/39/569393239.db2.gz ZBZCMEULTKNNHR-QGZVFWFLSA-N 0 0 428.552 3.577 50 0 IHAARN CCc1nc(C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000096317616 569393478 /nfs/dbraw/zinc/39/34/78/569393478.db2.gz ULPPPLFEJXUJBY-UHFFFAOYSA-N 0 0 425.577 3.577 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096331492 569396431 /nfs/dbraw/zinc/39/64/31/569396431.db2.gz CUZJFJOLTKSYKW-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN COc1ccc(CCc2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc1OC ZINC000096345335 569397185 /nfs/dbraw/zinc/39/71/85/569397185.db2.gz ZOIBEFVIALGGER-UHFFFAOYSA-N 0 0 432.480 3.755 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358592 569397481 /nfs/dbraw/zinc/39/74/81/569397481.db2.gz WQVZNNGTUYWVOV-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2cc(-c3cccc(C)c3)n[nH]2)CC1 ZINC000096386839 569398766 /nfs/dbraw/zinc/39/87/66/569398766.db2.gz HUXMPPGLYIKSON-UHFFFAOYSA-N 0 0 439.537 3.740 50 0 IHAARN Nc1cccc2c1C(=O)N(C(=O)/C=C\c1cn(-c3ccccc3)nc1-c1ccccc1)C2=O ZINC000096446153 569400778 /nfs/dbraw/zinc/40/07/78/569400778.db2.gz ZAQWHDPKIRLTEJ-PFONDFGASA-N 0 0 434.455 3.958 50 0 IHAARN Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(C/C=C\c4ccccc4)c(=O)n3C)n12 ZINC000096936060 569402671 /nfs/dbraw/zinc/40/26/71/569402671.db2.gz XQMWBXXHYUOQGS-XFXZXTDPSA-N 0 0 443.482 3.608 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097077593 569402930 /nfs/dbraw/zinc/40/29/30/569402930.db2.gz HSBHOAKJLWMKNX-GOSISDBHSA-N 0 0 434.521 3.816 50 0 IHAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCc3cccs3)c3ccccc3C(=O)N1CC2 ZINC000002468454 569403936 /nfs/dbraw/zinc/40/39/36/569403936.db2.gz RVYOXOGKXOQMRN-XZOQPEGZSA-N 0 0 448.544 3.919 50 0 IHAARN CSc1nc2ccc3nc(NC(=O)CN4C(=O)c5ccccc5C4=O)sc3c2s1 ZINC000002483592 569405050 /nfs/dbraw/zinc/40/50/50/569405050.db2.gz PAZUZFDMJMRQTF-UHFFFAOYSA-N 0 0 440.531 3.863 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1ccc(C)cc1 ZINC000002498399 569405711 /nfs/dbraw/zinc/40/57/11/569405711.db2.gz SHSDNEHFMXFENQ-SFHVURJKSA-N 0 0 449.532 3.950 50 0 IHAARN O=C(CCc1ccccc1Br)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225626754 569405920 /nfs/dbraw/zinc/40/59/20/569405920.db2.gz PAFDSWLBPHIUDY-UHFFFAOYSA-N 0 0 441.329 3.636 50 0 IHAARN CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028228497 569409137 /nfs/dbraw/zinc/40/91/37/569409137.db2.gz BNWWNXUQMRBMQY-QFBILLFUSA-N 0 0 439.936 3.852 50 0 IHAARN CCc1cc2c(nc(SCC(=O)Nc3ccc(F)cc3)n(CCCOC)c2=O)s1 ZINC000002617781 569410388 /nfs/dbraw/zinc/41/03/88/569410388.db2.gz DVCLXHJBRGUQTA-UHFFFAOYSA-N 0 0 435.546 3.927 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccc(F)cc1 ZINC000002621414 569411126 /nfs/dbraw/zinc/41/11/26/569411126.db2.gz JFWILAJUPQIIFY-UHFFFAOYSA-N 0 0 447.539 3.979 50 0 IHAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)nc2n1 ZINC000002623242 569411293 /nfs/dbraw/zinc/41/12/93/569411293.db2.gz LRVMCNLMJUQOCV-UHFFFAOYSA-N 0 0 433.493 3.688 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC1CCCCC1 ZINC000002624439 569411565 /nfs/dbraw/zinc/41/15/65/569411565.db2.gz QVPQBTLSIBTHBL-UHFFFAOYSA-N 0 0 428.554 3.757 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCCCC2=O)c1 ZINC000002634692 569412738 /nfs/dbraw/zinc/41/27/38/569412738.db2.gz MTWNMKHYUYDQBY-FQEVSTJZSA-N 0 0 435.929 3.829 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002636283 569413024 /nfs/dbraw/zinc/41/30/24/569413024.db2.gz DUHSZVWCRZJNEI-GOSISDBHSA-N 0 0 449.459 3.713 50 0 IHAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000002642946 569413804 /nfs/dbraw/zinc/41/38/04/569413804.db2.gz ZHZNRKSYQHHMFF-QHCPKHFHSA-N 0 0 448.500 3.857 50 0 IHAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(N2CCOCC2)cc1 ZINC000002657261 569415583 /nfs/dbraw/zinc/41/55/83/569415583.db2.gz HNYPYFCVLPJVDH-UHFFFAOYSA-N 0 0 425.539 3.511 50 0 IHAARN CC[C@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)o1)N(C)C ZINC000002659160 569415724 /nfs/dbraw/zinc/41/57/24/569415724.db2.gz XLXUVCZSFQGIDQ-OAHLLOKOSA-N 0 0 433.559 3.945 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002662000 569416163 /nfs/dbraw/zinc/41/61/63/569416163.db2.gz NMHRDSXOGMMRPA-UHFFFAOYSA-N 0 0 431.517 3.803 50 0 IHAARN O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br ZINC000002663289 569416305 /nfs/dbraw/zinc/41/63/05/569416305.db2.gz VQCNHQCKEHMGOZ-UHFFFAOYSA-N 0 0 429.064 3.958 50 0 IHAARN CCOC(=O)[C@@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(OC)cc1 ZINC000002706103 569417489 /nfs/dbraw/zinc/41/74/89/569417489.db2.gz HVIWNUZOOUUPTG-MRXNPFEDSA-N 0 0 445.570 3.792 50 0 IHAARN Cc1nn(Cc2cccc(C(=O)Nc3cnn(C)c3C(=O)NCC(C)C)c2)c(C)c1Cl ZINC000002728840 569418691 /nfs/dbraw/zinc/41/86/91/569418691.db2.gz UUIWBDMUAWFMAR-UHFFFAOYSA-N 0 0 442.951 3.573 50 0 IHAARN CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C ZINC000002733776 569419659 /nfs/dbraw/zinc/41/96/59/569419659.db2.gz UAQKDZMWAMJYJX-UHFFFAOYSA-N 0 0 434.949 3.609 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 ZINC000002760164 569420484 /nfs/dbraw/zinc/42/04/84/569420484.db2.gz WOVBAZGHCQZXGE-UHFFFAOYSA-N 0 0 449.330 3.544 50 0 IHAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000028802860 569421036 /nfs/dbraw/zinc/42/10/36/569421036.db2.gz KKXISCDMRZNSMI-UHFFFAOYSA-N 0 0 442.855 3.582 50 0 IHAARN CCn1cc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c(C)n1 ZINC000002778541 569421108 /nfs/dbraw/zinc/42/11/08/569421108.db2.gz IQXMMQIAXFVWDI-NSHDSACASA-N 0 0 436.276 3.717 50 0 IHAARN CCOc1ccc(Cc2nc3c4c(C)c(C(=O)OC)sc4ncn3n2)cc1OCC ZINC000002798766 569422138 /nfs/dbraw/zinc/42/21/38/569422138.db2.gz DVBCRXUBTJBTLS-UHFFFAOYSA-N 0 0 426.498 3.822 50 0 IHAARN O=c1c2c3c(sc2ncn1Cc1nc2c4c5c(sc4ncn2n1)CCCC5)CCCC3 ZINC000002797103 569422180 /nfs/dbraw/zinc/42/21/80/569422180.db2.gz JPGMGWMIMHYEKQ-UHFFFAOYSA-N 0 0 448.577 3.916 50 0 IHAARN CCOc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)cc1 ZINC000002887905 569424161 /nfs/dbraw/zinc/42/41/61/569424161.db2.gz WCTUQUGBIXRNGC-UHFFFAOYSA-N 0 0 448.504 3.968 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccccc2C)c1 ZINC000002926962 569425758 /nfs/dbraw/zinc/42/57/58/569425758.db2.gz XGFCZMZUYXIJPI-UHFFFAOYSA-N 0 0 434.525 3.584 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1C ZINC000002928475 569425868 /nfs/dbraw/zinc/42/58/68/569425868.db2.gz PUEBBLOKTHECAB-IBGZPJMESA-N 0 0 434.492 3.596 50 0 IHAARN COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000002927451 569425899 /nfs/dbraw/zinc/42/58/99/569425899.db2.gz YFKMDNGNDUJNHO-UHFFFAOYSA-N 0 0 434.525 3.584 50 0 IHAARN COc1ccc(C2=N/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1Br ZINC000002945709 569426902 /nfs/dbraw/zinc/42/69/02/569426902.db2.gz BFBOJJNEAOXIJD-VGOFMYFVSA-N 0 0 448.269 3.828 50 0 IHAARN CCOC(=O)CSc1nc2ccccc2c(NCCc2ccc(OC)c(OC)c2)n1 ZINC000002948762 569427085 /nfs/dbraw/zinc/42/70/85/569427085.db2.gz FHKUNPPIIQVPBA-UHFFFAOYSA-N 0 0 427.526 3.957 50 0 IHAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000029363004 569429847 /nfs/dbraw/zinc/42/98/47/569429847.db2.gz NLQMIVXPSRNTKA-QFIPXVFZSA-N 0 0 433.596 3.631 50 0 IHAARN CCOC(=O)c1ccc(Oc2coc3c(ccc4c3CN(CCCOC)CO4)c2=O)cc1 ZINC000057172805 569429948 /nfs/dbraw/zinc/42/99/48/569429948.db2.gz MQKXYIONAVLCDN-UHFFFAOYSA-N 0 0 439.464 3.950 50 0 biogenic IHAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H](C)O1 ZINC000227003504 569430890 /nfs/dbraw/zinc/43/08/90/569430890.db2.gz ODOLBJNOHBQOGW-RBZYPMLTSA-N 0 0 433.382 3.753 50 0 IHAARN CCCCn1c(C)c(C)nc1SCC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000029627438 569431614 /nfs/dbraw/zinc/43/16/14/569431614.db2.gz IFGFUPRSDJGFSP-GOSISDBHSA-N 0 0 432.546 3.856 50 0 IHAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1-c1ccc(C)cc1 ZINC000029649073 569431687 /nfs/dbraw/zinc/43/16/87/569431687.db2.gz XCGXJVCTOPPRMN-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN O=C(COc1ccc2ccccc2c1Br)NC[C@@H]1COc2ccccc2O1 ZINC000029756638 569431839 /nfs/dbraw/zinc/43/18/39/569431839.db2.gz NVALFYSBCWQREG-OAHLLOKOSA-N 0 0 428.282 3.937 50 0 IHAARN CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CC=C(c3ccccc3)CC2)=C1C(=O)OC ZINC000057415704 569434153 /nfs/dbraw/zinc/43/41/53/569434153.db2.gz XQTSTYMBKOIACG-DEOSSOPVSA-N 0 0 447.535 3.656 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)NCc1ccco1 ZINC000057425560 569434441 /nfs/dbraw/zinc/43/44/41/569434441.db2.gz VCKKPUGLEFUOFQ-UHFFFAOYSA-N 0 0 441.534 3.516 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000057425778 569434486 /nfs/dbraw/zinc/43/44/86/569434486.db2.gz REQCPXBHMXNVMX-UHFFFAOYSA-N 0 0 427.910 3.628 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(OC)c1 ZINC000057426202 569434511 /nfs/dbraw/zinc/43/45/11/569434511.db2.gz SSZWLDZQQYTFHC-UHFFFAOYSA-N 0 0 433.555 3.862 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1C ZINC000057426532 569434631 /nfs/dbraw/zinc/43/46/31/569434631.db2.gz LBFHMVVBVHXBHX-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000057427379 569434770 /nfs/dbraw/zinc/43/47/70/569434770.db2.gz WVCYMIFEPIBHJP-UHFFFAOYSA-N 0 0 426.314 3.722 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000057427888 569434836 /nfs/dbraw/zinc/43/48/36/569434836.db2.gz LAROEJKXYXZBNK-UHFFFAOYSA-N 0 0 439.924 3.874 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057429004 569434992 /nfs/dbraw/zinc/43/49/92/569434992.db2.gz FMDAKNURIFXVLZ-UHFFFAOYSA-N 0 0 441.459 3.693 50 0 IHAARN COc1cc2nc(CN3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2cc1OC ZINC000057456611 569435322 /nfs/dbraw/zinc/43/53/22/569435322.db2.gz YGBMASRKCSKNEZ-UHFFFAOYSA-N 0 0 436.537 3.930 50 0 IHAARN COc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)cc1 ZINC000003010361 569435364 /nfs/dbraw/zinc/43/53/64/569435364.db2.gz SNLVMERBYRBRSP-UHFFFAOYSA-N 0 0 431.517 3.916 50 0 IHAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000057472461 569435587 /nfs/dbraw/zinc/43/55/87/569435587.db2.gz HMZWZFZPYASXMU-UHFFFAOYSA-N 0 0 445.928 3.977 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)c(C)c1 ZINC000057473254 569435672 /nfs/dbraw/zinc/43/56/72/569435672.db2.gz BCZVKPNSWSCIFX-UHFFFAOYSA-N 0 0 433.533 3.723 50 0 IHAARN CCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003028395 569436460 /nfs/dbraw/zinc/43/64/60/569436460.db2.gz RXBXUSWYQCYCKS-UHFFFAOYSA-N 0 0 433.423 3.989 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 ZINC000057492271 569437433 /nfs/dbraw/zinc/43/74/33/569437433.db2.gz GGNCZNXMKZKFMX-UHFFFAOYSA-N 0 0 447.560 3.580 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000057492730 569437470 /nfs/dbraw/zinc/43/74/70/569437470.db2.gz BKLIRMZRRSMZDB-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)cc3C)c2=O)c1 ZINC000057493056 569437486 /nfs/dbraw/zinc/43/74/86/569437486.db2.gz PMCNTSQOCHLHRC-UHFFFAOYSA-N 0 0 447.516 3.672 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)cc1F ZINC000057493460 569437558 /nfs/dbraw/zinc/43/75/58/569437558.db2.gz VPCHFYXSRYQGDE-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)ccc1F ZINC000057494423 569437734 /nfs/dbraw/zinc/43/77/34/569437734.db2.gz QQUGSASDDWBEJS-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c1 ZINC000057494468 569437741 /nfs/dbraw/zinc/43/77/41/569437741.db2.gz CQEDNPORHJFJQC-UHFFFAOYSA-N 0 0 437.496 3.863 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(C)C)c2=O)cc1Cl ZINC000057525963 569439117 /nfs/dbraw/zinc/43/91/17/569439117.db2.gz NHZJBWOFUZTRNS-UHFFFAOYSA-N 0 0 429.904 3.510 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c(-c2cccc(Cl)c2)n1 ZINC000057527684 569439148 /nfs/dbraw/zinc/43/91/48/569439148.db2.gz LKWAKWYQFOIPPW-UHFFFAOYSA-N 0 0 427.888 3.782 50 0 IHAARN CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000230136301 569439168 /nfs/dbraw/zinc/43/91/68/569439168.db2.gz LHQPWHRGXPYDGT-GAQQMNMRSA-N 0 0 446.525 3.786 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000230137739 569439242 /nfs/dbraw/zinc/43/92/42/569439242.db2.gz SKXHRHIGKQHCIB-URXFXBBRSA-N 0 0 437.584 3.734 50 0 IHAARN O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003055013 569439366 /nfs/dbraw/zinc/43/93/66/569439366.db2.gz KUBGDUSJZIBVCB-UHFFFAOYSA-N 0 0 426.991 3.803 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2ccc(F)cc2)CN1C ZINC000230201769 569440071 /nfs/dbraw/zinc/44/00/71/569440071.db2.gz BSHKNDBQZWNVTK-KDSXSNECSA-N 0 0 431.467 3.605 50 0 IHAARN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000030014964 569440337 /nfs/dbraw/zinc/44/03/37/569440337.db2.gz ZQXFZZGLIYUTTC-QFIPXVFZSA-N 0 0 432.495 3.688 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1 ZINC000003182713 569441369 /nfs/dbraw/zinc/44/13/69/569441369.db2.gz SQTZMEJTBPEGQV-ZIAGYGMSSA-N 0 0 442.459 3.756 50 0 IHAARN Cc1ccc([C@]2(C(F)(F)F)N=C3Sc4cc(S(C)(=O)=O)ccc4N3C(=O)N2)cc1 ZINC000003189317 569441471 /nfs/dbraw/zinc/44/14/71/569441471.db2.gz UIUBOYHATMFTLG-QGZVFWFLSA-N 0 0 441.456 3.805 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000003224120 569442059 /nfs/dbraw/zinc/44/20/59/569442059.db2.gz MJMCYCRURMKAOI-AUSIDOKSSA-N 0 0 442.515 3.549 50 0 IHAARN COc1cc(CCC(=O)OCC(=O)Nc2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000003243877 569442714 /nfs/dbraw/zinc/44/27/14/569442714.db2.gz WVOQWBLYACZLPF-UHFFFAOYSA-N 0 0 444.509 3.745 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000003247263 569442803 /nfs/dbraw/zinc/44/28/03/569442803.db2.gz SJVFSPCFWFFLSW-LBPRGKRZSA-N 0 0 439.295 3.692 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003248911 569442859 /nfs/dbraw/zinc/44/28/59/569442859.db2.gz IUFVZZLWIKCXEK-UHFFFAOYSA-N 0 0 433.537 3.675 50 0 IHAARN CCc1nc2ccccc2c(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000003249832 569442879 /nfs/dbraw/zinc/44/28/79/569442879.db2.gz ORRCLNOYBCOAEH-UHFFFAOYSA-N 0 0 436.508 3.639 50 0 IHAARN COc1ccc(CCNC(=O)COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003250584 569442890 /nfs/dbraw/zinc/44/28/90/569442890.db2.gz OJABSQGTWYBDJZ-UHFFFAOYSA-N 0 0 440.503 3.952 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3cc2O)c(=O)n(-c2ccccc2)n1C ZINC000003253277 569443045 /nfs/dbraw/zinc/44/30/45/569443045.db2.gz LIEQFBKJOQBDNB-MRXNPFEDSA-N 0 0 445.475 3.527 50 0 IHAARN Cc1cccc(Cn2nccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c1 ZINC000030527903 569443245 /nfs/dbraw/zinc/44/32/45/569443245.db2.gz VXVOKGQKKYCNBF-UHFFFAOYSA-N 0 0 427.508 3.928 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000003297261 569444788 /nfs/dbraw/zinc/44/47/88/569444788.db2.gz KPBTXPUGCYUTSL-VFNWGFHPSA-N 0 0 428.916 3.615 50 0 IHAARN O=C(Cn1ncc2ccccc2c1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000030620990 569445159 /nfs/dbraw/zinc/44/51/59/569445159.db2.gz CVKIQMZKPPNMCC-UHFFFAOYSA-N 0 0 438.281 3.735 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@H](C)C2 ZINC000003312976 569445599 /nfs/dbraw/zinc/44/55/99/569445599.db2.gz IYEIKIUPQJNBJY-QWHCGFSZSA-N 0 0 431.510 3.939 50 0 IHAARN O=C(COn1nnc2ccc(C(F)(F)F)cc21)NC(c1ccccc1)c1ccccc1 ZINC000003326721 569446260 /nfs/dbraw/zinc/44/62/60/569446260.db2.gz NDOAPHFSPURHPN-UHFFFAOYSA-N 0 0 426.398 3.785 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000003332258 569446518 /nfs/dbraw/zinc/44/65/18/569446518.db2.gz HZLRATSLFQDXGT-SFHVURJKSA-N 0 0 449.290 3.796 50 0 IHAARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000003340991 569446870 /nfs/dbraw/zinc/44/68/70/569446870.db2.gz VGEFDHUVUYIHSL-QGZVFWFLSA-N 0 0 439.471 3.520 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003343453 569447005 /nfs/dbraw/zinc/44/70/05/569447005.db2.gz IOHYLDBTAUZOMB-UHFFFAOYSA-N 0 0 437.340 3.917 50 0 IHAARN COCCn1c(SCCOc2cccc(Br)c2)nnc1-c1ccncc1 ZINC000003347179 569447140 /nfs/dbraw/zinc/44/71/40/569447140.db2.gz WKQBDYQLTYOUKD-UHFFFAOYSA-N 0 0 435.347 3.920 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1Cc1ccccc1Cl ZINC000003348384 569447268 /nfs/dbraw/zinc/44/72/68/569447268.db2.gz SPTJWZARXQJUMM-UHFFFAOYSA-N 0 0 437.887 3.592 50 0 IHAARN O=C(CN(c1cccc2cccnc21)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000003353942 569447554 /nfs/dbraw/zinc/44/75/54/569447554.db2.gz FGLACGWZLKUEAZ-UHFFFAOYSA-N 0 0 445.544 3.789 50 0 IHAARN O=c1nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)[nH]c2sc3c(c21)CCCC3 ZINC000003377437 569448647 /nfs/dbraw/zinc/44/86/47/569448647.db2.gz GTPYXKGBQACUAN-UHFFFAOYSA-N 0 0 440.506 3.934 50 0 IHAARN CCOC(=O)CCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000003385503 569448990 /nfs/dbraw/zinc/44/89/90/569448990.db2.gz CVZKGBYKHLBYFR-UHFFFAOYSA-N 0 0 434.492 3.827 50 0 IHAARN COc1ccc2c(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc(=O)oc2c1 ZINC000003399414 569449576 /nfs/dbraw/zinc/44/95/76/569449576.db2.gz SDSJYZAGQLUVJL-UHFFFAOYSA-N 0 0 440.455 3.797 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000003403474 569449805 /nfs/dbraw/zinc/44/98/05/569449805.db2.gz MBWYCTGKBRNFJE-ZDUSSCGKSA-N 0 0 447.944 3.997 50 0 IHAARN COc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1OC ZINC000030865196 569450074 /nfs/dbraw/zinc/45/00/74/569450074.db2.gz GHOPUCQEZYPKRG-UHFFFAOYSA-N 0 0 441.915 3.526 50 0 IHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccs1 ZINC000003433824 569450927 /nfs/dbraw/zinc/45/09/27/569450927.db2.gz BQBHDHAZKBFSQR-UHFFFAOYSA-N 0 0 441.530 3.535 50 0 IHAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c2C1 ZINC000003482037 569452361 /nfs/dbraw/zinc/45/23/61/569452361.db2.gz KSWNUIBAAJWQRY-HNNXBMFYSA-N 0 0 432.476 3.562 50 0 IHAARN COc1ccc(OCc2nnc(SCC(=O)NC(C)C)n2-c2ccccc2F)cc1 ZINC000003492273 569452567 /nfs/dbraw/zinc/45/25/67/569452567.db2.gz SFMBVMVTSDEOCY-UHFFFAOYSA-N 0 0 430.505 3.611 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000003493287 569452618 /nfs/dbraw/zinc/45/26/18/569452618.db2.gz NFHSRFZNEOIHED-UHFFFAOYSA-N 0 0 427.961 3.889 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003512878 569453045 /nfs/dbraw/zinc/45/30/45/569453045.db2.gz CVEWZSPOUSFSLB-UHFFFAOYSA-N 0 0 440.253 3.777 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000003513658 569453046 /nfs/dbraw/zinc/45/30/46/569453046.db2.gz APVLYEGSCYRLHW-UHFFFAOYSA-N 0 0 440.477 3.780 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O ZINC000003563644 569454067 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CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 ZINC000004065759 569458543 /nfs/dbraw/zinc/45/85/43/569458543.db2.gz OAVZHJPJKVQRTE-BTDLBPIBSA-N 0 0 439.306 3.785 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000032071914 569459234 /nfs/dbraw/zinc/45/92/34/569459234.db2.gz RJULNKIIMKJKIW-UHFFFAOYSA-N 0 0 438.480 3.568 50 0 IHAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccc(Cl)c3)cc(C(C)C)nc21 ZINC000032078447 569459397 /nfs/dbraw/zinc/45/93/97/569459397.db2.gz GNDIEMYPEWNACP-UHFFFAOYSA-N 0 0 428.920 3.544 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000032090786 569459612 /nfs/dbraw/zinc/45/96/12/569459612.db2.gz VVBLMAXIGSGZCQ-INIZCTEOSA-N 0 0 448.548 3.573 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2OC)C12CCCC2 ZINC000032093100 569459730 /nfs/dbraw/zinc/45/97/30/569459730.db2.gz LTQRXCBUEGHZRZ-QFIPXVFZSA-N 0 0 438.524 3.841 50 0 IHAARN O=C(Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O)Nc1nccs1 ZINC000032094736 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569466452 /nfs/dbraw/zinc/46/64/52/569466452.db2.gz SFOBXPKTRADJAE-UHFFFAOYSA-N 0 0 448.498 3.797 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cccc(C)c4)ccn3n2)cc1 ZINC000067261256 569466494 /nfs/dbraw/zinc/46/64/94/569466494.db2.gz SVWFBOOXCXMXAJ-UHFFFAOYSA-N 0 0 430.508 3.577 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 ZINC000067261812 569466646 /nfs/dbraw/zinc/46/66/46/569466646.db2.gz UQKSCJHEEXDODX-INIZCTEOSA-N 0 0 429.480 3.838 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCc5ccccc5C4)ccn3n2)cc1 ZINC000067262469 569466670 /nfs/dbraw/zinc/46/66/70/569466670.db2.gz UIMGYGDSXJFUOZ-UHFFFAOYSA-N 0 0 442.519 3.537 50 0 IHAARN CSc1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cc(C)ccc3C)NC2=O)c1 ZINC000067288782 569467482 /nfs/dbraw/zinc/46/74/82/569467482.db2.gz IXIGGANYWZKDNX-OAQYLSRUSA-N 0 0 437.521 3.541 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067292858 569467756 /nfs/dbraw/zinc/46/77/56/569467756.db2.gz VJDJJXOTPZMXFB-WGJYXZIMSA-N 0 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569468897 /nfs/dbraw/zinc/46/88/97/569468897.db2.gz KEYXNODMMGEWRN-UHFFFAOYSA-N 0 0 427.507 3.839 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC3 ZINC000067349877 569469036 /nfs/dbraw/zinc/46/90/36/569469036.db2.gz HNHZJZNJMKACAL-UHFFFAOYSA-N 0 0 425.916 3.804 50 0 IHAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)c1 ZINC000067341528 569469045 /nfs/dbraw/zinc/46/90/45/569469045.db2.gz IKBGOFLAPXJKTE-UHFFFAOYSA-N 0 0 444.422 3.603 50 0 IHAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 ZINC000038850617 569469268 /nfs/dbraw/zinc/46/92/68/569469268.db2.gz BFFDDYXSQOECJW-MRXNPFEDSA-N 0 0 448.850 3.915 50 0 IHAARN O=S(=O)(c1cccs1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038934838 569469546 /nfs/dbraw/zinc/46/95/46/569469546.db2.gz IQXSJADHVRVONC-UHFFFAOYSA-N 0 0 438.578 3.657 50 0 IHAARN C[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008640270 569469572 /nfs/dbraw/zinc/46/95/72/569469572.db2.gz GJCYYGWCWRPPQV-JTQLQIEISA-N 0 0 429.523 3.711 50 0 IHAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000008663676 569469969 /nfs/dbraw/zinc/46/99/69/569469969.db2.gz DCTSZMDMUNMBEL-QGZVFWFLSA-N 0 0 429.885 3.728 50 0 IHAARN COc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1S(N)(=O)=O ZINC000008708706 569470726 /nfs/dbraw/zinc/47/07/26/569470726.db2.gz AFPOFZSIZIYDEG-UHFFFAOYSA-N 0 0 440.399 3.874 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1OC ZINC000008720053 569471529 /nfs/dbraw/zinc/47/15/29/569471529.db2.gz APFVTNXPVPDUDI-UHFFFAOYSA-N 0 0 431.492 3.903 50 0 IHAARN Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cn2c1 ZINC000008725229 569472138 /nfs/dbraw/zinc/47/21/38/569472138.db2.gz KOWYSNXASAAXHC-UHFFFAOYSA-N 0 0 427.526 3.564 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 ZINC000008726162 569472271 /nfs/dbraw/zinc/47/22/71/569472271.db2.gz FYQOCTMMYQWVIC-IIBYNOLFSA-N 0 0 430.508 3.950 50 0 IHAARN c1ccc(Cn2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)cc1 ZINC000008735965 569472751 /nfs/dbraw/zinc/47/27/51/569472751.db2.gz DLFKRTGLLDQHCJ-UHFFFAOYSA-N 0 0 434.525 3.505 50 0 IHAARN COc1cccc(NC(=O)Cn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@H]32)c1 ZINC000008752051 569473550 /nfs/dbraw/zinc/47/35/50/569473550.db2.gz LNLQCSGDEHJTLP-ORAYPTAESA-N 0 0 440.546 3.803 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)cc1 ZINC000008768783 569475019 /nfs/dbraw/zinc/47/50/19/569475019.db2.gz VOYJHCODKQNXJF-FQEVSTJZSA-N 0 0 449.525 3.606 50 0 IHAARN O=C(COc1cccc2ccc(N3CCOCC3)nc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000008769596 569475047 /nfs/dbraw/zinc/47/50/47/569475047.db2.gz LWNYOYMZMCYVPF-UHFFFAOYSA-N 0 0 447.413 3.988 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C ZINC000008772136 569475257 /nfs/dbraw/zinc/47/52/57/569475257.db2.gz SSCOSFUDNWVLKG-CYBMUJFWSA-N 0 0 446.887 3.627 50 0 IHAARN Cc1c(NC(=O)c2cccc(NC(=O)CCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C ZINC000008777395 569475379 /nfs/dbraw/zinc/47/53/79/569475379.db2.gz QCJCNJKVECRLLM-UHFFFAOYSA-N 0 0 444.491 3.901 50 0 IHAARN O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008777060 569475412 /nfs/dbraw/zinc/47/54/12/569475412.db2.gz RZTHZDCLAJYBTO-UHFFFAOYSA-N 0 0 428.562 3.582 50 0 IHAARN C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)OCCCO3 ZINC000008791773 569476241 /nfs/dbraw/zinc/47/62/41/569476241.db2.gz UUXJULZVCDJTQY-VOTSOKGWSA-N 0 0 437.492 3.943 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4ccccn4)ccc23)cc1 ZINC000008792005 569476326 /nfs/dbraw/zinc/47/63/26/569476326.db2.gz JPFLUMWDWNDMSC-UHFFFAOYSA-N 0 0 430.460 3.867 50 0 biogenic IHAARN COc1ccc(Cn2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000008836000 569477965 /nfs/dbraw/zinc/47/79/65/569477965.db2.gz NOLRIAHJDZKGSI-UHFFFAOYSA-N 0 0 433.512 3.618 50 0 IHAARN COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Br)cc1 ZINC000008843871 569478533 /nfs/dbraw/zinc/47/85/33/569478533.db2.gz JYAXWYFKXXMDHI-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000008843844 569478541 /nfs/dbraw/zinc/47/85/41/569478541.db2.gz NRWYIZWGHTTWCM-HXUWFJFHSA-N 0 0 441.553 3.761 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nnc3ccc4ccccc4n32)nc1C ZINC000008844354 569478598 /nfs/dbraw/zinc/47/85/98/569478598.db2.gz QYSSTZZFPKHUBW-UHFFFAOYSA-N 0 0 427.511 3.555 50 0 IHAARN NC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000008844635 569478663 /nfs/dbraw/zinc/47/86/63/569478663.db2.gz BXUAKDLJJGNVCP-UHFFFAOYSA-N 0 0 445.928 3.530 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008845450 569478875 /nfs/dbraw/zinc/47/88/75/569478875.db2.gz VZTWLHWQDFFNOC-HSZRJFAPSA-N 0 0 437.496 3.771 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000008845842 569478937 /nfs/dbraw/zinc/47/89/37/569478937.db2.gz UOAFDBJWMJAIBJ-UHFFFAOYSA-N 0 0 448.504 3.860 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O ZINC000008850539 569479377 /nfs/dbraw/zinc/47/93/77/569479377.db2.gz XQZLFXDCDIAZHS-HSZRJFAPSA-N 0 0 425.554 3.659 50 0 IHAARN O=C(CSc1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1)Nc1ccc(F)cc1 ZINC000008852070 569479454 /nfs/dbraw/zinc/47/94/54/569479454.db2.gz YHUZBLCDHRFYAR-UHFFFAOYSA-N 0 0 445.497 3.923 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1Cc1ccco1 ZINC000008860763 569479951 /nfs/dbraw/zinc/47/99/51/569479951.db2.gz VYQYWMOQUGAXFS-JOCHJYFZSA-N 0 0 444.491 3.573 50 0 IHAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000008862180 569480134 /nfs/dbraw/zinc/48/01/34/569480134.db2.gz YFYZNOVZFKCWTD-UHFFFAOYSA-N 0 0 445.519 3.574 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCSc3ccc(F)cc32)C1=O)Nc1ccc2ccccc2c1 ZINC000008862424 569480183 /nfs/dbraw/zinc/48/01/83/569480183.db2.gz KYPHPAIOZIYZCB-QHCPKHFHSA-N 0 0 435.480 3.861 50 0 IHAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1OCC(C)C ZINC000008869382 569480449 /nfs/dbraw/zinc/48/04/49/569480449.db2.gz PRJJPLQKKGHBNC-JOCHJYFZSA-N 0 0 437.492 3.764 50 0 IHAARN COc1cc(OC)cc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000008871043 569480692 /nfs/dbraw/zinc/48/06/92/569480692.db2.gz KELVGOCAPCJGFD-OAHLLOKOSA-N 0 0 448.479 3.509 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c(OC)cc(C)cc4oc3=O)c2c1 ZINC000008878906 569481304 /nfs/dbraw/zinc/48/13/04/569481304.db2.gz LCOLVKDYGSLAHC-UHFFFAOYSA-N 0 0 434.492 3.810 50 0 biogenic IHAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)o2)cc1 ZINC000039844233 569481900 /nfs/dbraw/zinc/48/19/00/569481900.db2.gz ILRPRKWPRBUJQC-UHFFFAOYSA-N 0 0 431.945 3.888 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 ZINC000039979709 569482178 /nfs/dbraw/zinc/48/21/78/569482178.db2.gz CMSHZLRQKCMBJW-QFIPXVFZSA-N 0 0 433.526 3.685 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000039995521 569482419 /nfs/dbraw/zinc/48/24/19/569482419.db2.gz ADNBZQXGJBMVKH-JOCHJYFZSA-N 0 0 430.508 3.624 50 0 IHAARN O=C(CSCc1nc2ccccc2s1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000040013531 569482549 /nfs/dbraw/zinc/48/25/49/569482549.db2.gz ZJYPSYGVLMEYMX-UHFFFAOYSA-N 0 0 425.579 3.951 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000040013444 569482586 /nfs/dbraw/zinc/48/25/86/569482586.db2.gz PPOBMSFCSAMWHN-NRFANRHFSA-N 0 0 427.508 3.977 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000040040065 569483376 /nfs/dbraw/zinc/48/33/76/569483376.db2.gz KANOKLBSQTXNGC-UHFFFAOYSA-N 0 0 429.900 3.871 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)COc2cccc(C(C)(C)C)c2)cc1 ZINC000040049345 569483867 /nfs/dbraw/zinc/48/38/67/569483867.db2.gz UKCBQWXROUJPHT-UHFFFAOYSA-N 0 0 432.586 3.507 50 0 IHAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)no2)cc1 ZINC000040050111 569484163 /nfs/dbraw/zinc/48/41/63/569484163.db2.gz ZAWGSPPVSRBZKU-HXUWFJFHSA-N 0 0 441.285 3.775 50 0 IHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000040052482 569484572 /nfs/dbraw/zinc/48/45/72/569484572.db2.gz SXTAHHAIYTWAFR-GOSISDBHSA-N 0 0 428.439 3.821 50 0 IHAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)c(F)c1 ZINC000040059934 569484805 /nfs/dbraw/zinc/48/48/05/569484805.db2.gz JMAAZKWZZTZDTB-UHFFFAOYSA-N 0 0 449.548 3.619 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1Sc1cc(C)nc(C)n1 ZINC000040060519 569484846 /nfs/dbraw/zinc/48/48/46/569484846.db2.gz UIEJTKNXDKHRPR-UHFFFAOYSA-N 0 0 431.587 3.789 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 ZINC000040069091 569485263 /nfs/dbraw/zinc/48/52/63/569485263.db2.gz POAGRRRQUFESCJ-OLZOCXBDSA-N 0 0 427.302 3.556 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1nnc(COC(=O)c2cc3c(s2)CCCC3)s1 ZINC000040068565 569485111 /nfs/dbraw/zinc/48/51/11/569485111.db2.gz WOPGCVGDTDJEET-UHFFFAOYSA-N 0 0 431.514 3.905 50 0 IHAARN O=C(c1sccc1S(=O)(=O)NC1CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000040069841 569485434 /nfs/dbraw/zinc/48/54/34/569485434.db2.gz UJQGOHGDMCCZHJ-UHFFFAOYSA-N 0 0 429.567 3.690 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008915162 569485503 /nfs/dbraw/zinc/48/55/03/569485503.db2.gz QGTPFTJWWKEUHU-QGZVFWFLSA-N 0 0 445.924 3.584 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008916320 569485766 /nfs/dbraw/zinc/48/57/66/569485766.db2.gz FBZAHZOYPRAJER-QGZVFWFLSA-N 0 0 445.924 3.584 50 0 IHAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1 ZINC000008917659 569486045 /nfs/dbraw/zinc/48/60/45/569486045.db2.gz WFJLDUKGLCGVFR-UHFFFAOYSA-N 0 0 440.521 3.782 50 0 IHAARN CC1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1 ZINC000008933424 569487827 /nfs/dbraw/zinc/48/78/27/569487827.db2.gz KTQKVVBDMDGWSF-UHFFFAOYSA-N 0 0 432.499 3.797 50 0 IHAARN Cn1ccnc1COc1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC000040134905 569490626 /nfs/dbraw/zinc/49/06/26/569490626.db2.gz BRQKQRBBGMRRCS-UHFFFAOYSA-N 0 0 442.401 3.851 50 0 IHAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000040135351 569490734 /nfs/dbraw/zinc/49/07/34/569490734.db2.gz NFRLTMSZVMACNT-GJZGRUSLSA-N 0 0 442.947 3.893 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)CCC5)C3=O)ccc2c1 ZINC000008966188 569491722 /nfs/dbraw/zinc/49/17/22/569491722.db2.gz UIHSIQDWBBBYHT-SANMLTNESA-N 0 0 443.503 3.743 50 0 IHAARN COC(=O)C[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 ZINC000040141730 569491788 /nfs/dbraw/zinc/49/17/88/569491788.db2.gz OFGNOFCUUVLETP-LJQANCHMSA-N 0 0 425.435 3.673 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000008968160 569491794 /nfs/dbraw/zinc/49/17/94/569491794.db2.gz YGHMUOWGYGHSQU-KRWDZBQOSA-N 0 0 443.518 3.520 50 0 IHAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c(C)c1 ZINC000008970468 569492033 /nfs/dbraw/zinc/49/20/33/569492033.db2.gz XCAKOKTZMKELAW-UHFFFAOYSA-N 0 0 433.899 3.613 50 0 IHAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)n1 ZINC000040145471 569492150 /nfs/dbraw/zinc/49/21/50/569492150.db2.gz 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C[C@@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1 ZINC000040153949 569493676 /nfs/dbraw/zinc/49/36/76/569493676.db2.gz SUGUZSPWCONUQF-OAQYLSRUSA-N 0 0 430.552 3.774 50 0 IHAARN COc1cccc(CO[C@H](C)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000040154581 569493780 /nfs/dbraw/zinc/49/37/80/569493780.db2.gz YWBGIDDHVDQMOK-MRXNPFEDSA-N 0 0 429.492 3.552 50 0 IHAARN Cc1nc2c(cnn2C)c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000040154927 569493831 /nfs/dbraw/zinc/49/38/31/569493831.db2.gz QXDPPOFKNZLVJO-UHFFFAOYSA-N 0 0 434.494 3.862 50 0 IHAARN COc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1F ZINC000040155816 569493975 /nfs/dbraw/zinc/49/39/75/569493975.db2.gz RJSXTOJYXJWQHX-UHFFFAOYSA-N 0 0 444.322 3.581 50 0 IHAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000040156851 569494148 /nfs/dbraw/zinc/49/41/48/569494148.db2.gz JDFILYCUNCHMFQ-JOCHJYFZSA-N 0 0 427.508 3.696 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000040157297 569494262 /nfs/dbraw/zinc/49/42/62/569494262.db2.gz AFODFMLROQWZGU-QHCPKHFHSA-N 0 0 426.538 3.705 50 0 IHAARN CC[C@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O ZINC000040159165 569494722 /nfs/dbraw/zinc/49/47/22/569494722.db2.gz COZOTFGAPBDCNI-ORAYPTAESA-N 0 0 425.872 3.742 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000009013219 569496666 /nfs/dbraw/zinc/49/66/66/569496666.db2.gz KJRNHFZVJFXHIB-HXUWFJFHSA-N 0 0 441.553 3.761 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(Br)c(C)c3)n2)cc1 ZINC000009031561 569497119 /nfs/dbraw/zinc/49/71/19/569497119.db2.gz UWLSPGUAMHYALN-UHFFFAOYSA-N 0 0 432.274 3.511 50 0 IHAARN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000009034056 569497209 /nfs/dbraw/zinc/49/72/09/569497209.db2.gz SEYAJDQTKZROJA-YJBOKZPZSA-N 0 0 449.688 3.901 50 0 biogenic IHAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000245130876 569497579 /nfs/dbraw/zinc/49/75/79/569497579.db2.gz VCHCNQKSLKIMJY-LDQXTDLNSA-N 0 0 439.487 3.855 50 0 IHAARN COc1ccc2cnn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1OC ZINC000040283997 569497909 /nfs/dbraw/zinc/49/79/09/569497909.db2.gz JHIVCWCZJNFRBD-UHFFFAOYSA-N 0 0 443.503 3.643 50 0 IHAARN Cc1c2cc3c(-c4ccc(F)cc4)coc3cc2oc(=O)c1CCC(=O)Nc1nn[nH]n1 ZINC000009051030 569498672 /nfs/dbraw/zinc/49/86/72/569498672.db2.gz XPRGBLQECBANSN-UHFFFAOYSA-N 0 0 433.399 3.738 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)cs1)c1ccc(Cl)c(Cl)c1 ZINC000040355467 569499809 /nfs/dbraw/zinc/49/98/09/569499809.db2.gz DRCPILFLHPDBBI-UHFFFAOYSA-N 0 0 442.324 3.681 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000245237171 569500403 /nfs/dbraw/zinc/50/04/03/569500403.db2.gz FWDQATLUPVKPCY-VDZJLULYSA-N 0 0 427.574 3.635 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCCCc1ccccc1 ZINC000009093001 569501248 /nfs/dbraw/zinc/50/12/48/569501248.db2.gz WTVFIKGBRRYNGM-UHFFFAOYSA-N 0 0 445.610 3.802 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)CC1 ZINC000245257916 569501683 /nfs/dbraw/zinc/50/16/83/569501683.db2.gz HZVPNKZTUREFDL-WAOWUJCRSA-N 0 0 437.584 3.686 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000009111768 569502339 /nfs/dbraw/zinc/50/23/39/569502339.db2.gz FTKPNKKEQQCCFA-UHFFFAOYSA-N 0 0 437.544 3.860 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccn5)C4)sc3n2)cc1 ZINC000009117490 569503151 /nfs/dbraw/zinc/50/31/51/569503151.db2.gz RYPBRBRFEITJQD-GOSISDBHSA-N 0 0 432.553 3.694 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)COc2ccc3c(c2)CCC3)c1C ZINC000009125780 569504686 /nfs/dbraw/zinc/50/46/86/569504686.db2.gz YDGOSZMCNWZUSF-QHCPKHFHSA-N 0 0 436.552 3.817 50 0 IHAARN CCOC(=O)C1C(C)=NC(=O)N(CC(=O)Nc2ccc(F)cc2F)[C@H]1c1ccccc1 ZINC000009127587 569505223 /nfs/dbraw/zinc/50/52/23/569505223.db2.gz NVSASCFNIQMLMM-FQEVSTJZSA-N 0 0 429.423 3.507 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009128802 569505512 /nfs/dbraw/zinc/50/55/12/569505512.db2.gz VWIZDZVENXYUEH-RUZDIDTESA-N 0 0 433.435 3.604 50 0 IHAARN CSCC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nnc2ccccn21 ZINC000069419483 569506172 /nfs/dbraw/zinc/50/61/72/569506172.db2.gz BSSRSVKINJDXLO-FQEVSTJZSA-N 0 0 434.569 3.685 50 0 IHAARN CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)ccc21 ZINC000069414225 569506204 /nfs/dbraw/zinc/50/62/04/569506204.db2.gz ALDGFXUPHPSLCI-MRXNPFEDSA-N 0 0 439.899 3.849 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000069451488 569506532 /nfs/dbraw/zinc/50/65/32/569506532.db2.gz IBQSPJZUFSTRFW-UHFFFAOYSA-N 0 0 446.276 3.794 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000009131541 569506927 /nfs/dbraw/zinc/50/69/27/569506927.db2.gz KBIVZEAFTPGJPI-QGZVFWFLSA-N 0 0 439.512 3.932 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000009132415 569506963 /nfs/dbraw/zinc/50/69/63/569506963.db2.gz PGBIOOIEJCFNHH-QGZVFWFLSA-N 0 0 447.516 3.739 50 0 IHAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)Nc3nn[nH]n3)c(=O)oc12 ZINC000009134044 569506982 /nfs/dbraw/zinc/50/69/82/569506982.db2.gz WQAMUVMAKPSHAT-UHFFFAOYSA-N 0 0 429.436 3.907 50 0 IHAARN CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@](C)(CC)C(=O)Nc1c(C)cccc1C ZINC000009137220 569507163 /nfs/dbraw/zinc/50/71/63/569507163.db2.gz IOEMEGNQJPIYGO-VWLOTQADSA-N 0 0 435.524 3.555 50 0 IHAARN C[C@@H](CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152782 569507878 /nfs/dbraw/zinc/50/78/78/569507878.db2.gz LKCXYAZQNLIOIJ-GJZGRUSLSA-N 0 0 438.615 3.901 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1F ZINC000009152876 569507949 /nfs/dbraw/zinc/50/79/49/569507949.db2.gz UZFMLFMPCLMHMX-STQMWFEESA-N 0 0 436.530 3.758 50 0 IHAARN COc1ccc(NC(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)cc1OC ZINC000009153559 569508080 /nfs/dbraw/zinc/50/80/80/569508080.db2.gz VDUOICCYVCVEFF-UHFFFAOYSA-N 0 0 441.451 3.686 50 0 IHAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CC(=O)Nc1ccccc1)n2C ZINC000009153650 569508143 /nfs/dbraw/zinc/50/81/43/569508143.db2.gz WUZKCODWPIAJGO-UHFFFAOYSA-N 0 0 438.487 3.591 50 0 IHAARN CCNC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 ZINC000009155689 569508318 /nfs/dbraw/zinc/50/83/18/569508318.db2.gz SDTDKJSOLHYKSN-UHFFFAOYSA-N 0 0 431.558 3.510 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1F ZINC000009166559 569508937 /nfs/dbraw/zinc/50/89/37/569508937.db2.gz ZHHWQRMGPZHSQN-UHFFFAOYSA-N 0 0 436.505 3.797 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)cc3C)cc2OCC(C)(C)C1=O ZINC000009167808 569509107 /nfs/dbraw/zinc/50/91/07/569509107.db2.gz BILHRFVXPPGFBO-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN CCOc1cccc2cc(-c3nnc(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)o3)oc21 ZINC000009168288 569509171 /nfs/dbraw/zinc/50/91/71/569509171.db2.gz AZWQJRYYFVJGJP-UHFFFAOYSA-N 0 0 446.419 3.787 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000009170481 569509318 /nfs/dbraw/zinc/50/93/18/569509318.db2.gz AATDOLIOZJFWHJ-UHFFFAOYSA-N 0 0 444.553 3.582 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C ZINC000009170755 569509325 /nfs/dbraw/zinc/50/93/25/569509325.db2.gz XPSAOPRCBFBGJJ-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009184945 569509962 /nfs/dbraw/zinc/50/99/62/569509962.db2.gz WYNFSGMLPGCVNH-HXUWFJFHSA-N 0 0 433.545 3.718 50 0 IHAARN O=C(Cn1c2ccc(Br)cc2c(=O)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000009186394 569510217 /nfs/dbraw/zinc/51/02/17/569510217.db2.gz XILNGZDAMSYISR-UHFFFAOYSA-N 0 0 435.277 3.798 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)c1C ZINC000009187088 569510265 /nfs/dbraw/zinc/51/02/65/569510265.db2.gz CYVBDODQARXHJY-UHFFFAOYSA-N 0 0 437.504 3.536 50 0 IHAARN CC[C@H](Sc1nc(-c2ccccc2)c(C)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009190185 569510542 /nfs/dbraw/zinc/51/05/42/569510542.db2.gz OZKZVDPDKYZYGA-KRWDZBQOSA-N 0 0 430.555 3.542 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009198068 569511061 /nfs/dbraw/zinc/51/10/61/569511061.db2.gz PKDJUGJAEZEFDX-MSOLQXFVSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009198073 569511073 /nfs/dbraw/zinc/51/10/73/569511073.db2.gz PKDJUGJAEZEFDX-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN O=S(=O)(c1ccc(Sc2nnc(Nc3ccc(F)cc3)s2)nc1)N1CCCC1 ZINC000009206467 569511346 /nfs/dbraw/zinc/51/13/46/569511346.db2.gz JGOAUQKEAUDUBD-UHFFFAOYSA-N 0 0 437.547 3.752 50 0 IHAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009217811 569512307 /nfs/dbraw/zinc/51/23/07/569512307.db2.gz ANWOBIWGDTXUPR-REWPJTCUSA-N 0 0 434.536 3.665 50 0 IHAARN CCCSc1nsc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009222532 569512756 /nfs/dbraw/zinc/51/27/56/569512756.db2.gz JHDLCDYBLUPLFF-OAHLLOKOSA-N 0 0 440.616 3.531 50 0 IHAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009222779 569512854 /nfs/dbraw/zinc/51/28/54/569512854.db2.gz CGIHSPGQWTWBNB-GFCCVEGCSA-N 0 0 438.899 3.928 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009225986 569513253 /nfs/dbraw/zinc/51/32/53/569513253.db2.gz SOUFOADMIJYARY-UHFFFAOYSA-N 0 0 442.459 3.816 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1C ZINC000009226408 569513291 /nfs/dbraw/zinc/51/32/91/569513291.db2.gz ANTMXSHRMWXALC-GJZGRUSLSA-N 0 0 432.567 3.785 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009227560 569513476 /nfs/dbraw/zinc/51/34/76/569513476.db2.gz WCBVSHTYLKZVBM-UHFFFAOYSA-N 0 0 449.960 3.515 50 0 IHAARN O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238550 569514350 /nfs/dbraw/zinc/51/43/50/569514350.db2.gz XSRCQBPUNGRCBF-RTBURBONSA-N 0 0 435.484 3.753 50 0 IHAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000009238864 569514396 /nfs/dbraw/zinc/51/43/96/569514396.db2.gz ABUSZXOLQFQYOF-PMACEKPBSA-N 0 0 447.520 3.622 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 ZINC000009239106 569514440 /nfs/dbraw/zinc/51/44/40/569514440.db2.gz VUZHNTIDJBJOQP-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009245001 569515189 /nfs/dbraw/zinc/51/51/89/569515189.db2.gz TZAGOXYVMLWSNK-UHFFFAOYSA-N 0 0 432.523 3.547 50 0 IHAARN Cc1cc2nc(NC3=N[C@H](O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C ZINC000009246495 569515444 /nfs/dbraw/zinc/51/54/44/569515444.db2.gz VJXXCUANYZWMES-HXUWFJFHSA-N 0 0 445.552 3.797 50 0 IHAARN CC[C@H](C(=O)NCCN(CC)c1ccccc1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000009251487 569515945 /nfs/dbraw/zinc/51/59/45/569515945.db2.gz BCMXHWGUCZRQMZ-OAQYLSRUSA-N 0 0 431.540 3.551 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000009252386 569516001 /nfs/dbraw/zinc/51/60/01/569516001.db2.gz BJUJKUGKHDBXOX-CQSZACIVSA-N 0 0 434.525 3.531 50 0 IHAARN 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/nfs/dbraw/zinc/53/33/76/569533376.db2.gz ZNHSVJLISJJARY-KRWDZBQOSA-N 0 0 430.302 3.924 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC[C@@H](C)c3ccccc3)cc2NC1=O ZINC000009430169 569533894 /nfs/dbraw/zinc/53/38/94/569533894.db2.gz QDGPOCQYJUJRJK-DNVCBOLYSA-N 0 0 446.594 3.593 50 0 IHAARN Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1 ZINC000009431261 569534115 /nfs/dbraw/zinc/53/41/15/569534115.db2.gz BGXSMSWJFLCPKW-UHFFFAOYSA-N 0 0 428.349 3.907 50 0 IHAARN CCCn1c2nnc(CCCC(=O)Nc3ccc(OCC)cc3)n2c2ccsc2c1=O ZINC000009431447 569534195 /nfs/dbraw/zinc/53/41/95/569534195.db2.gz IKLFEAZKOYBIJN-UHFFFAOYSA-N 0 0 439.541 3.876 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000009431685 569534243 /nfs/dbraw/zinc/53/42/43/569534243.db2.gz KCWMSLLWJDOMGO-IBGZPJMESA-N 0 0 436.512 3.677 50 0 IHAARN CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O ZINC000009433794 569534631 /nfs/dbraw/zinc/53/46/31/569534631.db2.gz RNMHEYMKTITKHS-LJQANCHMSA-N 0 0 431.964 3.954 50 0 IHAARN CC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(C)c(C)c3)cn2-c2ccccc2)CC1 ZINC000009439383 569535085 /nfs/dbraw/zinc/53/50/85/569535085.db2.gz DCWUAJTZFCGQLH-UHFFFAOYSA-N 0 0 448.592 3.939 50 0 IHAARN CCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009459819 569536906 /nfs/dbraw/zinc/53/69/06/569536906.db2.gz LVEYDWIQFNMLGY-FQEVSTJZSA-N 0 0 431.554 3.704 50 0 IHAARN CC[C@@H](C)n1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 ZINC000009464070 569537624 /nfs/dbraw/zinc/53/76/24/569537624.db2.gz MYCGNJGPUGLLFT-VUFYJBQKSA-N 0 0 427.526 3.507 50 0 IHAARN CCCCn1c(N)c(N(C)C(=O)c2ccccc2Nc2cccc(C)c2C)c(=O)[nH]c1=O ZINC000009465391 569537890 /nfs/dbraw/zinc/53/78/90/569537890.db2.gz NZGOFCYVULWIAE-UHFFFAOYSA-N 0 0 435.528 3.556 50 0 IHAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000009467003 569538315 /nfs/dbraw/zinc/53/83/15/569538315.db2.gz HURJRZBMEVINBE-UHFFFAOYSA-N 0 0 428.444 3.952 50 0 IHAARN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)n1Cc1ccccc1 ZINC000009467345 569538383 /nfs/dbraw/zinc/53/83/83/569538383.db2.gz NLZOHPWSDRQRHH-KRWDZBQOSA-N 0 0 432.553 3.790 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 ZINC000009472149 569538990 /nfs/dbraw/zinc/53/89/90/569538990.db2.gz YVLRGDRJYGWTAO-UHFFFAOYSA-N 0 0 433.555 3.653 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000009494085 569540872 /nfs/dbraw/zinc/54/08/72/569540872.db2.gz XSQMVSFXPWXIAL-HXUWFJFHSA-N 0 0 431.286 3.925 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009496033 569541186 /nfs/dbraw/zinc/54/11/86/569541186.db2.gz RDVVSNQYKNHVGA-IZHWHUGBSA-N 0 0 439.943 3.863 50 0 IHAARN CCOc1ccc(C(=O)N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000009498904 569541453 /nfs/dbraw/zinc/54/14/53/569541453.db2.gz NTGBLRJRDCSJJF-UHFFFAOYSA-N 0 0 442.523 3.931 50 0 IHAARN Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)o1 ZINC000009501738 569541651 /nfs/dbraw/zinc/54/16/51/569541651.db2.gz LVYBYNFVCQTDQD-AREMUKBSSA-N 0 0 445.519 3.659 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)n[nH]c3C)n2Cc2ccco2)c1 ZINC000009507380 569542029 /nfs/dbraw/zinc/54/20/29/569542029.db2.gz SOWRFVKQLBMFKM-UHFFFAOYSA-N 0 0 438.513 3.666 50 0 IHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(N2C(=O)CCC2=O)c1 ZINC000009507673 569542066 /nfs/dbraw/zinc/54/20/66/569542066.db2.gz HODNSAWMRAWBMB-UHFFFAOYSA-N 0 0 446.532 3.607 50 0 IHAARN CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000009507696 569542150 /nfs/dbraw/zinc/54/21/50/569542150.db2.gz NMEMOGBEWWMPPJ-UHFFFAOYSA-N 0 0 446.569 3.840 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000009509529 569542557 /nfs/dbraw/zinc/54/25/57/569542557.db2.gz AKBBRPVOKXOHGW-OAHLLOKOSA-N 0 0 429.325 3.703 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009509624 569542639 /nfs/dbraw/zinc/54/26/39/569542639.db2.gz QBXJWZJJIJJTOK-UHFFFAOYSA-N 0 0 438.505 3.579 50 0 IHAARN Cc1sc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c2c1-c1ccccc1 ZINC000009512636 569542967 /nfs/dbraw/zinc/54/29/67/569542967.db2.gz IJLQNCYRUUXTNZ-UHFFFAOYSA-N 0 0 431.473 3.647 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)Nc3n[nH]c(SCc4ccccc4)n3)cc2C1=O ZINC000009515292 569543319 /nfs/dbraw/zinc/54/33/19/569543319.db2.gz PNHGWPFLMOHIGV-UHFFFAOYSA-N 0 0 435.509 3.745 50 0 IHAARN Cc1nc2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)ccc2n1-c1ccccc1 ZINC000009516094 569543449 /nfs/dbraw/zinc/54/34/49/569543449.db2.gz CHFWNCKHIQGNEV-UHFFFAOYSA-N 0 0 430.533 3.994 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCCC3)o2)cc1 ZINC000009518569 569544120 /nfs/dbraw/zinc/54/41/20/569544120.db2.gz VBBLEIFCQGPFFA-UHFFFAOYSA-N 0 0 430.574 3.792 50 0 IHAARN COc1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1OC ZINC000009529265 569544804 /nfs/dbraw/zinc/54/48/04/569544804.db2.gz CRMNAFLXMYHBHJ-UHFFFAOYSA-N 0 0 447.944 3.825 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1Cl ZINC000009530100 569544949 /nfs/dbraw/zinc/54/49/49/569544949.db2.gz XYKBOWQLAPRADU-IAGOWNOFSA-N 0 0 435.958 3.581 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000009530118 569544951 /nfs/dbraw/zinc/54/49/51/569544951.db2.gz QVRQOKDBTAAEFC-SJORKVTESA-N 0 0 435.958 3.581 50 0 IHAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)NCc3cccnc3)N2C1=O ZINC000009530405 569544996 /nfs/dbraw/zinc/54/49/96/569544996.db2.gz AIOHAKACMDBSAG-RYGJVYDSSA-N 0 0 449.580 3.914 50 0 IHAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000009535857 569545532 /nfs/dbraw/zinc/54/55/32/569545532.db2.gz SCIPZTSVAMXBQA-OAQYLSRUSA-N 0 0 443.297 3.504 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009539819 569545644 /nfs/dbraw/zinc/54/56/44/569545644.db2.gz PQOBQQBSYLKHDU-UHFFFAOYSA-N 0 0 446.953 3.763 50 0 IHAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009539690 569545692 /nfs/dbraw/zinc/54/56/92/569545692.db2.gz DSKNGWXQNBDCQW-OAHLLOKOSA-N 0 0 433.961 3.514 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000009540083 569545735 /nfs/dbraw/zinc/54/57/35/569545735.db2.gz GLZULZOMBWCVSO-GOSISDBHSA-N 0 0 435.402 3.989 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000009542539 569545938 /nfs/dbraw/zinc/54/59/38/569545938.db2.gz MNBVJQGUISMXFI-UHFFFAOYSA-N 0 0 431.496 3.718 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1 ZINC000009559512 569547015 /nfs/dbraw/zinc/54/70/15/569547015.db2.gz BQDXWQDJWVLCTG-CYBMUJFWSA-N 0 0 443.388 3.858 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1 ZINC000009559513 569547026 /nfs/dbraw/zinc/54/70/26/569547026.db2.gz BQDXWQDJWVLCTG-ZDUSSCGKSA-N 0 0 443.388 3.858 50 0 IHAARN CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561026 569547094 /nfs/dbraw/zinc/54/70/94/569547094.db2.gz WREUYISDKMEFBI-DNQXCXABSA-N 0 0 433.552 3.974 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000009562342 569547286 /nfs/dbraw/zinc/54/72/86/569547286.db2.gz KMYBOLKPMZNNDG-FGTMMUONSA-N 0 0 437.565 3.561 50 0 IHAARN O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000009570742 569547640 /nfs/dbraw/zinc/54/76/40/569547640.db2.gz IKQIGJADBIJONV-UHFFFAOYSA-N 0 0 427.089 3.662 50 0 IHAARN c1nn(-c2ccccc2)c2nc(NC[C@H]3CCCO3)nc(Nc3ccc4c(c3)OCO4)c12 ZINC000009573626 569547867 /nfs/dbraw/zinc/54/78/67/569547867.db2.gz PBMGFTGRLYELKI-QGZVFWFLSA-N 0 0 430.468 3.879 50 0 IHAARN COc1ccccc1CCNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000009576343 569548078 /nfs/dbraw/zinc/54/80/78/569548078.db2.gz KBHVGLSKNUICFS-UHFFFAOYSA-N 0 0 445.471 3.912 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1OC ZINC000009578789 569548367 /nfs/dbraw/zinc/54/83/67/569548367.db2.gz NKRYEOJZOWBFHH-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C)n2C2CC2)cc1 ZINC000009578462 569548321 /nfs/dbraw/zinc/54/83/21/569548321.db2.gz IQWAXRYFOMGPRO-UHFFFAOYSA-N 0 0 437.525 3.913 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000009578791 569548370 /nfs/dbraw/zinc/54/83/70/569548370.db2.gz BANWPSPGIKFMGS-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000009578723 569548401 /nfs/dbraw/zinc/54/84/01/569548401.db2.gz LJJVATLVHMSJKQ-SANMLTNESA-N 0 0 441.487 3.617 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)c2)cs1 ZINC000070638027 569548979 /nfs/dbraw/zinc/54/89/79/569548979.db2.gz XSIBDCXDOSNPHY-UHFFFAOYSA-N 0 0 445.552 3.949 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1OC ZINC000070638493 569549030 /nfs/dbraw/zinc/54/90/30/569549030.db2.gz UMBBDXSCSMRABC-SOFGYWHQSA-N 0 0 439.493 3.604 50 0 IHAARN O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009581070 569549108 /nfs/dbraw/zinc/54/91/08/569549108.db2.gz PFZAGWXQXPPEOI-UZLBHIALSA-N 0 0 440.009 3.718 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 ZINC000009585861 569549560 /nfs/dbraw/zinc/54/95/60/569549560.db2.gz ZGWHHHAFUBKJKW-UHFFFAOYSA-N 0 0 449.598 3.996 50 0 IHAARN COc1cc([C@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)ccc1OC(C)=O ZINC000009586510 569549685 /nfs/dbraw/zinc/54/96/85/569549685.db2.gz PRIKCCINLKQHAM-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 ZINC000009588680 569549919 /nfs/dbraw/zinc/54/99/19/569549919.db2.gz YONSYGYALBJRLL-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009592558 569550350 /nfs/dbraw/zinc/55/03/50/569550350.db2.gz GJKMJUUCVPSPER-UHFFFAOYSA-N 0 0 445.545 3.828 50 0 IHAARN COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000009595481 569550765 /nfs/dbraw/zinc/55/07/65/569550765.db2.gz SHNNIXXALNGOCC-SFHVURJKSA-N 0 0 445.519 3.824 50 0 IHAARN CC(C)N(C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(Nc2ccccc2)cc1 ZINC000009596436 569550819 /nfs/dbraw/zinc/55/08/19/569550819.db2.gz FGJAIMTWDVYKMQ-UHFFFAOYSA-N 0 0 448.523 3.905 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3ccc4nnc(-c5ccccn5)n4n3)sc2c1 ZINC000009599812 569551337 /nfs/dbraw/zinc/55/13/37/569551337.db2.gz PBFXRVHKEVLCET-UHFFFAOYSA-N 0 0 433.522 3.835 50 0 IHAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 ZINC000009600139 569551409 /nfs/dbraw/zinc/55/14/09/569551409.db2.gz FZVULMPHMLVBCS-UHFFFAOYSA-N 0 0 440.978 3.750 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1 ZINC000009610643 569552583 /nfs/dbraw/zinc/55/25/83/569552583.db2.gz SLGXTGPEOVIZJB-QHCPKHFHSA-N 0 0 449.532 3.538 50 0 IHAARN CCN(CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C)c1cccc(C)c1 ZINC000009611097 569552672 /nfs/dbraw/zinc/55/26/72/569552672.db2.gz WCUPUUKAEIJNJV-UHFFFAOYSA-N 0 0 430.552 3.985 50 0 IHAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000009631069 569553711 /nfs/dbraw/zinc/55/37/11/569553711.db2.gz MXFATDMPEUSCIS-UHFFFAOYSA-N 0 0 438.480 3.616 50 0 IHAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nc2c1 ZINC000009632002 569553884 /nfs/dbraw/zinc/55/38/84/569553884.db2.gz NQRJDCSTKJJCJS-UHFFFAOYSA-N 0 0 444.582 3.777 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000009632511 569554047 /nfs/dbraw/zinc/55/40/47/569554047.db2.gz JNYFZOYXBXCSJQ-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1-c1ccccc1 ZINC000009632675 569554089 /nfs/dbraw/zinc/55/40/89/569554089.db2.gz VXYAOBYQEZNSRD-UHFFFAOYSA-N 0 0 435.553 3.979 50 0 IHAARN COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c32)CCC4)cc1OC ZINC000009637441 569554807 /nfs/dbraw/zinc/55/48/07/569554807.db2.gz QESDNRNMIOZHMF-UHFFFAOYSA-N 0 0 429.567 3.648 50 0 IHAARN O=C(CSc1nnnn1C1CCCC1)Nc1nc2ccc(Br)cc2s1 ZINC000009638077 569554944 /nfs/dbraw/zinc/55/49/44/569554944.db2.gz UYOYRJSZHRNLCA-UHFFFAOYSA-N 0 0 439.364 3.891 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)=O)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000009639199 569555135 /nfs/dbraw/zinc/55/51/35/569555135.db2.gz BKVSOYZSVNQMTE-UHFFFAOYSA-N 0 0 444.509 3.894 50 0 IHAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009640135 569555333 /nfs/dbraw/zinc/55/53/33/569555333.db2.gz JGTAUDJOTBCYAG-UHFFFAOYSA-N 0 0 445.928 3.690 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1CCc1ccc(F)cc1 ZINC000009640278 569555427 /nfs/dbraw/zinc/55/54/27/569555427.db2.gz UGPBTBBCHLMSML-IBGZPJMESA-N 0 0 443.548 3.627 50 0 IHAARN COc1cc(Br)c(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1OC ZINC000009641163 569555662 /nfs/dbraw/zinc/55/56/62/569555662.db2.gz QZANELCJBMHUPC-NRFANRHFSA-N 0 0 445.313 3.750 50 0 IHAARN O=C(NC1CC1)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000009644659 569556103 /nfs/dbraw/zinc/55/61/03/569556103.db2.gz ZBFCCXBAQZTFFN-INIZCTEOSA-N 0 0 435.431 3.673 50 0 IHAARN O=C(Nc1ccccc1F)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663609 569557278 /nfs/dbraw/zinc/55/72/78/569557278.db2.gz ZUHADHMORIYQSJ-QGZVFWFLSA-N 0 0 432.455 3.709 50 0 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569558590 /nfs/dbraw/zinc/55/85/90/569558590.db2.gz OBHYQNFDCNLRIN-UHFFFAOYSA-N 0 0 440.459 3.741 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccco2)cc1 ZINC000009673770 569558962 /nfs/dbraw/zinc/55/89/62/569558962.db2.gz PEELCYXAXVUDJM-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c(C)n1C ZINC000009685089 569560630 /nfs/dbraw/zinc/56/06/30/569560630.db2.gz VGEOLRORMSFYGH-HXUWFJFHSA-N 0 0 429.586 3.624 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCc1ccc(Cl)cc1)C(=O)CS2 ZINC000009686964 569560750 /nfs/dbraw/zinc/56/07/50/569560750.db2.gz ORFDOWTVJPDCHY-UHFFFAOYSA-N 0 0 440.956 3.632 50 0 IHAARN C=C1C(NCC(=O)N[C@H]2CCCc3ccccc32)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009687172 569560796 /nfs/dbraw/zinc/56/07/96/569560796.db2.gz AOXTWTDZBSGLAD-IBGZPJMESA-N 0 0 443.956 3.596 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000009689825 569560912 /nfs/dbraw/zinc/56/09/12/569560912.db2.gz YUOJNDUAEJMDQT-UHFFFAOYSA-N 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ZINC000009712412 569562286 /nfs/dbraw/zinc/56/22/86/569562286.db2.gz VBLFTOLXJXMZEA-HXUWFJFHSA-N 0 0 441.534 3.834 50 0 IHAARN O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1ccc2c(c1)OCO2 ZINC000009712890 569562392 /nfs/dbraw/zinc/56/23/92/569562392.db2.gz HIMHNHXIWMUNKZ-UHFFFAOYSA-N 0 0 431.477 3.789 50 0 IHAARN COc1cccc(CNC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)c1 ZINC000009712909 569562419 /nfs/dbraw/zinc/56/24/19/569562419.db2.gz OOZNIMYAABZZJD-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009713597 569562668 /nfs/dbraw/zinc/56/26/68/569562668.db2.gz IYGLTNPQMYFYRT-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000009714047 569562704 /nfs/dbraw/zinc/56/27/04/569562704.db2.gz JGZMGPBREFNDBM-OAHLLOKOSA-N 0 0 442.566 3.732 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 ZINC000009716007 569563183 /nfs/dbraw/zinc/56/31/83/569563183.db2.gz 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COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1 ZINC000009728516 569564150 /nfs/dbraw/zinc/56/41/50/569564150.db2.gz SSQYMAUMHYUSFA-LJQANCHMSA-N 0 0 441.919 3.714 50 0 IHAARN Cc1nc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C ZINC000009729768 569564302 /nfs/dbraw/zinc/56/43/02/569564302.db2.gz SZYNCZIGQSLBOK-HXUWFJFHSA-N 0 0 447.626 3.927 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009737447 569564816 /nfs/dbraw/zinc/56/48/16/569564816.db2.gz FERMBJITMWVZKA-QFIPXVFZSA-N 0 0 449.528 3.517 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1 ZINC000009737855 569564863 /nfs/dbraw/zinc/56/48/63/569564863.db2.gz WBLGWLGIZHKLGB-UHFFFAOYSA-N 0 0 431.521 3.915 50 0 IHAARN Cc1ccc(-n2c3nc(-c4ccc(C(F)(F)F)cc4)nc(C(N)=O)c3[nH]c2=O)cc1C ZINC000009739119 569564966 /nfs/dbraw/zinc/56/49/66/569564966.db2.gz SPOCXXHGJYPYBW-UHFFFAOYSA-N 0 0 427.386 3.510 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cc(C)ccc2C)c2ccco2)cc1 ZINC000009740581 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0 446.536 3.585 50 0 IHAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009752291 569566099 /nfs/dbraw/zinc/56/60/99/569566099.db2.gz CAFPBARFAPWWIN-UHFFFAOYSA-N 0 0 437.477 3.665 50 0 IHAARN COc1cccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1 ZINC000009761491 569566256 /nfs/dbraw/zinc/56/62/56/569566256.db2.gz WOURPVFBRDHCLN-UHFFFAOYSA-N 0 0 446.326 3.734 50 0 IHAARN CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccccc1F ZINC000009761749 569566291 /nfs/dbraw/zinc/56/62/91/569566291.db2.gz UQBXDYLEUQQXNK-UHFFFAOYSA-N 0 0 447.260 3.890 50 0 IHAARN O=C(c1cccs1)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000009765196 569566754 /nfs/dbraw/zinc/56/67/54/569566754.db2.gz QXPFLCLALIBJGW-UHFFFAOYSA-N 0 0 443.532 3.594 50 0 IHAARN O=C(CSc1nnnn1C1CC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000009767127 569566877 /nfs/dbraw/zinc/56/68/77/569566877.db2.gz IWFYJYAESCELPU-UHFFFAOYSA-N 0 0 439.566 3.910 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1 ZINC000009776982 569567111 /nfs/dbraw/zinc/56/71/11/569567111.db2.gz LGONRYMJIQNUCL-JWQCQUIFSA-N 0 0 442.515 3.857 50 0 IHAARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000009778749 569567282 /nfs/dbraw/zinc/56/72/82/569567282.db2.gz HJODDZXXUPGWNE-FGZHOGPDSA-N 0 0 446.434 3.596 50 0 IHAARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000009778745 569567303 /nfs/dbraw/zinc/56/73/03/569567303.db2.gz HJODDZXXUPGWNE-VXKWHMMOSA-N 0 0 446.434 3.596 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)c(O)c1 ZINC000009780580 569567502 /nfs/dbraw/zinc/56/75/02/569567502.db2.gz XUYGGYAUVMQAEA-HNNXBMFYSA-N 0 0 426.494 3.807 50 0 IHAARN CCCNC(=O)c1cnn2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)C[C@H]2C(F)(F)F ZINC000009780781 569567506 /nfs/dbraw/zinc/56/75/06/569567506.db2.gz DMNOZQIAOFFZJZ-CJNGLKHVSA-N 0 0 442.438 3.709 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@@H](C)O)cc3)cc2)c(O)c1 ZINC000009780578 569567527 /nfs/dbraw/zinc/56/75/27/569567527.db2.gz XUYGGYAUVMQAEA-OAHLLOKOSA-N 0 0 426.494 3.807 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009782373 569567651 /nfs/dbraw/zinc/56/76/51/569567651.db2.gz VNDQDTDCFAUQHJ-INIZCTEOSA-N 0 0 428.872 3.773 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009783170 569567776 /nfs/dbraw/zinc/56/77/76/569567776.db2.gz OJAIIFJVPORJKC-UHFFFAOYSA-N 0 0 441.538 3.816 50 0 IHAARN Cn1c2nc3oc(-c4ccccc4)cn3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000009789632 569568109 /nfs/dbraw/zinc/56/81/09/569568109.db2.gz OBDGZMGXNBAMTE-UHFFFAOYSA-N 0 0 441.274 3.963 50 0 IHAARN COc1ccccc1CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000009789552 569568143 /nfs/dbraw/zinc/56/81/43/569568143.db2.gz WCQUHDXXUPYVNR-UHFFFAOYSA-N 0 0 436.961 3.646 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000009796262 569568434 /nfs/dbraw/zinc/56/84/34/569568434.db2.gz SNCLEARSHKEPSC-GOSISDBHSA-N 0 0 443.503 3.759 50 0 IHAARN CSc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000009801047 569568626 /nfs/dbraw/zinc/56/86/26/569568626.db2.gz ZVWLMLQELUCYDS-UHFFFAOYSA-N 0 0 447.626 3.925 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2ccc(C)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000009808994 569569038 /nfs/dbraw/zinc/56/90/38/569569038.db2.gz TVJJTTTUKXQFBX-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN COc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009812335 569569128 /nfs/dbraw/zinc/56/91/28/569569128.db2.gz VQOVOJHTVXAADH-UHFFFAOYSA-N 0 0 439.537 3.979 50 0 IHAARN O=C(CNC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2)Nc1ccc(F)cc1 ZINC000009814891 569569159 /nfs/dbraw/zinc/56/91/59/569569159.db2.gz FHVANDAQNTUARS-UHFFFAOYSA-N 0 0 438.480 3.565 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2O1 ZINC000009819538 569569349 /nfs/dbraw/zinc/56/93/49/569569349.db2.gz ZTFNYBPVZMHDQH-UHFFFAOYSA-N 0 0 444.553 3.592 50 0 IHAARN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000009822338 569569518 /nfs/dbraw/zinc/56/95/18/569569518.db2.gz GKVUFOZCGTWNTI-UHFFFAOYSA-N 0 0 425.920 3.985 50 0 IHAARN CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3n2)cc1 ZINC000009829110 569569963 /nfs/dbraw/zinc/56/99/63/569569963.db2.gz ZCELUHVCMIOEFW-UHFFFAOYSA-N 0 0 433.493 3.813 50 0 IHAARN COc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1OC ZINC000009829216 569569996 /nfs/dbraw/zinc/56/99/96/569569996.db2.gz PEIIXIRCLNQAIU-UHFFFAOYSA-N 0 0 428.466 3.575 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(NC4CC4)s3)n2)cc1OC ZINC000009832122 569570272 /nfs/dbraw/zinc/57/02/72/569570272.db2.gz YTQWMUOZQOCPQM-UHFFFAOYSA-N 0 0 449.583 3.984 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)n1 ZINC000009833479 569570356 /nfs/dbraw/zinc/57/03/56/569570356.db2.gz OYAOBPPUZWUKDC-OAHLLOKOSA-N 0 0 438.538 3.866 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c(C)n1C1CC1 ZINC000009835134 569570624 /nfs/dbraw/zinc/57/06/24/569570624.db2.gz NHFCHLNMOGBPKG-NRFANRHFSA-N 0 0 444.329 3.852 50 0 IHAARN Nc1nc(COc2cccc(C(=O)NCc3ccccc3)c2)nc(Nc2ccc(F)cc2)n1 ZINC000009836695 569570721 /nfs/dbraw/zinc/57/07/21/569570721.db2.gz DRFNEBQFUQTZSW-UHFFFAOYSA-N 0 0 444.470 3.846 50 0 IHAARN COC(=O)c1cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1Cl ZINC000009850265 569571357 /nfs/dbraw/zinc/57/13/57/569571357.db2.gz FLGODLMGYXKUKS-UHFFFAOYSA-N 0 0 438.933 3.655 50 0 IHAARN CCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc21 ZINC000009859152 569571754 /nfs/dbraw/zinc/57/17/54/569571754.db2.gz ZPIFNNSYFAMNHY-UHFFFAOYSA-N 0 0 431.510 3.660 50 0 IHAARN COc1ccc(C)cc1CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009861803 569572001 /nfs/dbraw/zinc/57/20/01/569572001.db2.gz BWFUNGXCETYNDK-UHFFFAOYSA-N 0 0 445.585 3.520 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(F)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009868240 569572328 /nfs/dbraw/zinc/57/23/28/569572328.db2.gz HTRUSEBHEPDDKC-IBGZPJMESA-N 0 0 443.504 4.000 50 0 IHAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCSc2nccn2C)cc1 ZINC000009868315 569572331 /nfs/dbraw/zinc/57/23/31/569572331.db2.gz CUXHTHIZBBPVRI-UHFFFAOYSA-N 0 0 447.564 3.863 50 0 IHAARN C[C@H]1CCN(C(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2S1 ZINC000009876616 569572676 /nfs/dbraw/zinc/57/26/76/569572676.db2.gz KYZPUBXJDGSNED-KRWDZBQOSA-N 0 0 445.610 3.801 50 0 IHAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000009898474 569573033 /nfs/dbraw/zinc/57/30/33/569573033.db2.gz BFBFNCLLFDHSSS-UHFFFAOYSA-N 0 0 435.505 3.675 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1OC ZINC000009906961 569573109 /nfs/dbraw/zinc/57/31/09/569573109.db2.gz CMWPIWMASQYCMM-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@]21c2cc(Br)ccc2N(C(C)C)C1=O ZINC000071279354 569573507 /nfs/dbraw/zinc/57/35/07/569573507.db2.gz IZVAIEZUKJOIDO-IBGZPJMESA-N 0 0 433.306 3.553 50 0 IHAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 ZINC000071280852 569573580 /nfs/dbraw/zinc/57/35/80/569573580.db2.gz IESWRLNMHKEQIV-KBXCAEBGSA-N 0 0 428.558 3.974 50 0 IHAARN CCCCN(CC)C(=O)Cn1c2ccccc2c(=O)n(CCc2ccc(Cl)cc2)c1=O ZINC000009937856 569573844 /nfs/dbraw/zinc/57/38/44/569573844.db2.gz OENRMWMLVQUADP-UHFFFAOYSA-N 0 0 441.959 3.708 50 0 IHAARN Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccc(Br)cc1 ZINC000009941139 569573947 /nfs/dbraw/zinc/57/39/47/569573947.db2.gz HQSHOYBLSQBBMR-UHFFFAOYSA-N 0 0 431.275 3.702 50 0 IHAARN O=C(CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009949073 569574193 /nfs/dbraw/zinc/57/41/93/569574193.db2.gz RTBRVLPWNPRHAP-SFHVURJKSA-N 0 0 433.537 3.803 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c(C)n1-c1nc[nH]n1 ZINC000009949745 569574248 /nfs/dbraw/zinc/57/42/48/569574248.db2.gz PVBFSFKDJABWDV-UHFFFAOYSA-N 0 0 443.533 3.790 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC000009956437 569574742 /nfs/dbraw/zinc/57/47/42/569574742.db2.gz CKWAULKYSQZKPU-SFHVURJKSA-N 0 0 446.594 3.883 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009953648 569574761 /nfs/dbraw/zinc/57/47/61/569574761.db2.gz HSIKIZFLLOGUNK-JOCHJYFZSA-N 0 0 428.554 3.847 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000009956590 569574762 /nfs/dbraw/zinc/57/47/62/569574762.db2.gz DJPZBCHTHDDNMY-HSZRJFAPSA-N 0 0 437.565 3.604 50 0 IHAARN COc1ccccc1-n1cnnc1SCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009958472 569574891 /nfs/dbraw/zinc/57/48/91/569574891.db2.gz FSWNPKRTABTHCJ-UHFFFAOYSA-N 0 0 425.539 3.516 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1Cl ZINC000071327221 569575192 /nfs/dbraw/zinc/57/51/92/569575192.db2.gz GGMGABPZUWKQRY-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)c1 ZINC000071327338 569575278 /nfs/dbraw/zinc/57/52/78/569575278.db2.gz SXEIOVQVWSLFHI-UHFFFAOYSA-N 0 0 449.511 3.579 50 0 IHAARN Cc1c(C(=O)OCc2cc(Cl)cc3c2OCOC3)sc2nc3n(c(=O)c12)CCC3 ZINC000009959988 569575336 /nfs/dbraw/zinc/57/53/36/569575336.db2.gz IFFXJWAQMGTWIJ-UHFFFAOYSA-N 0 0 432.885 3.590 50 0 IHAARN O=C(NCc1ccc(Br)cc1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000071328472 569575544 /nfs/dbraw/zinc/57/55/44/569575544.db2.gz HWLBXQHDMPVEQL-UHFFFAOYSA-N 0 0 436.103 3.983 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961954 569575629 /nfs/dbraw/zinc/57/56/29/569575629.db2.gz MWHQPTBREXYPNW-MRXNPFEDSA-N 0 0 429.929 3.928 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(COC(=O)c1cccnc1Sc1ccccc1)[nH]c2=O ZINC000009962980 569575682 /nfs/dbraw/zinc/57/56/82/569575682.db2.gz IQMYJJMBRKLYCH-UHFFFAOYSA-N 0 0 447.472 3.613 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000009963970 569575882 /nfs/dbraw/zinc/57/58/82/569575882.db2.gz SLWPUUHPOKVEHN-SFHVURJKSA-N 0 0 446.212 3.816 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCc2ccccc21 ZINC000009987070 569576804 /nfs/dbraw/zinc/57/68/04/569576804.db2.gz DCZZATJGQQPYFT-CYBMUJFWSA-N 0 0 442.924 3.806 50 0 IHAARN Cc1ccc2nc(CNc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc(=O)n2c1 ZINC000009988641 569576816 /nfs/dbraw/zinc/57/68/16/569576816.db2.gz JSCGQOANQISTOQ-UHFFFAOYSA-N 0 0 438.484 3.555 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC(=O)NC1CCCC1 ZINC000009988296 569576825 /nfs/dbraw/zinc/57/68/25/569576825.db2.gz QNLXDVDPPOVZEY-UHFFFAOYSA-N 0 0 439.516 3.934 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NC(=O)NCc1ccccc1 ZINC000010022448 569577273 /nfs/dbraw/zinc/57/72/73/569577273.db2.gz NKTIJUHRUQDUDX-UHFFFAOYSA-N 0 0 447.520 3.705 50 0 IHAARN CC[C@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010030863 569577334 /nfs/dbraw/zinc/57/73/34/569577334.db2.gz LKGQPXOAILSOAA-KRWDZBQOSA-N 0 0 438.553 3.853 50 0 IHAARN CSc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000010187260 569578565 /nfs/dbraw/zinc/57/85/65/569578565.db2.gz QJZGZOULRAJVHT-CYBMUJFWSA-N 0 0 439.609 3.872 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccc(Cl)cc2Cl)c3=O)cc1C ZINC000010252055 569579849 /nfs/dbraw/zinc/57/98/49/569579849.db2.gz RFGHIQOHRYLDNY-UHFFFAOYSA-N 0 0 428.279 3.890 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 ZINC000010263907 569580020 /nfs/dbraw/zinc/58/00/20/569580020.db2.gz AFQXGSHDBJCCSZ-UHFFFAOYSA-N 0 0 439.585 3.677 50 0 IHAARN COc1ccc(C(=O)NCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1OC ZINC000010291966 569580540 /nfs/dbraw/zinc/58/05/40/569580540.db2.gz LZVIBIFFMKZANQ-OAQYLSRUSA-N 0 0 428.485 3.540 50 0 IHAARN COc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)c1 ZINC000071768391 569580708 /nfs/dbraw/zinc/58/07/08/569580708.db2.gz HAUVHMQLORFVRP-UHFFFAOYSA-N 0 0 432.484 3.553 50 0 IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)c2)n1 ZINC000071768527 569580736 /nfs/dbraw/zinc/58/07/36/569580736.db2.gz ZOJGPLIJALDKDQ-UHFFFAOYSA-N 0 0 426.839 3.602 50 0 IHAARN Cc1c(O)ccc2c(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)oc12 ZINC000010323448 569580936 /nfs/dbraw/zinc/58/09/36/569580936.db2.gz ZIMYVOCCHREOTK-UHFFFAOYSA-N 0 0 446.550 3.669 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(Br)o3)nn2)cc1 ZINC000010336141 569581077 /nfs/dbraw/zinc/58/10/77/569581077.db2.gz FUKUYKJKVXLCRD-UHFFFAOYSA-N 0 0 432.274 3.707 50 0 IHAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1OC ZINC000010336977 569581145 /nfs/dbraw/zinc/58/11/45/569581145.db2.gz XQLRUPDGLZVURF-PKTZIBPZSA-N 0 0 440.463 3.645 50 0 IHAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(S(C)(=O)=O)c1)OCCO3 ZINC000010366796 569581508 /nfs/dbraw/zinc/58/15/08/569581508.db2.gz XUEMRKISLRKQMY-INIZCTEOSA-N 0 0 441.549 3.890 50 0 IHAARN Cc1nc(SCC(=O)Nc2ccccc2N2CCCC2=O)n(C[C@H]2CCCO2)c1C ZINC000010380732 569581624 /nfs/dbraw/zinc/58/16/24/569581624.db2.gz BWMZEPPMYOQNCO-QGZVFWFLSA-N 0 0 428.558 3.537 50 0 IHAARN O=C(COC(=O)c1cccnc1Oc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010379680 569581639 /nfs/dbraw/zinc/58/16/39/569581639.db2.gz UHWGFDWQBAAYBS-UHFFFAOYSA-N 0 0 431.448 3.562 50 0 IHAARN COc1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4cccs4)oc3C)C2=O)cc1OC ZINC000010388493 569581819 /nfs/dbraw/zinc/58/18/19/569581819.db2.gz FPRJHITYCIMSSI-NRFANRHFSA-N 0 0 427.482 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569586058 /nfs/dbraw/zinc/58/60/58/569586058.db2.gz OGZAATIWBSPSHL-UHFFFAOYSA-N 0 0 448.430 3.794 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 ZINC000077196484 569586067 /nfs/dbraw/zinc/58/60/67/569586067.db2.gz IXYKCHFHQVQXGY-UHFFFAOYSA-N 0 0 447.904 3.944 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccs4)no3)ccc2=O)cc1Cl ZINC000077199960 569586313 /nfs/dbraw/zinc/58/63/13/569586313.db2.gz OMWQUBTUOKZQDN-UHFFFAOYSA-N 0 0 442.884 3.928 50 0 IHAARN CCOc1ccc(O[C@H](C)C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 ZINC000077200542 569586426 /nfs/dbraw/zinc/58/64/26/569586426.db2.gz WUTVYSSVXBUMAM-LJQANCHMSA-N 0 0 447.539 3.608 50 0 IHAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000040364348 569588132 /nfs/dbraw/zinc/58/81/32/569588132.db2.gz HKTNSKNMEVYJFF-CYBMUJFWSA-N 0 0 447.314 3.804 50 0 IHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](O)[C@@H](O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004333123 291365328 /nfs/dbraw/zinc/36/53/28/291365328.db2.gz 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Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccccc3)Oc3ccccc32)cc1 ZINC000013845185 132354922 /nfs/dbraw/zinc/35/49/22/132354922.db2.gz DUBOTSJVRWTKIM-WZONZLPQSA-N 0 0 436.533 3.829 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)c1nn(-c3ccccc3)c(=O)c3ccccc31)OCO2 ZINC000009663659 518294939 /nfs/dbraw/zinc/29/49/39/518294939.db2.gz TWZFMOJOZVRJOJ-UHFFFAOYSA-N 0 0 427.416 3.569 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C(C)=O)CC2)c(F)c1 ZINC000012644728 518347682 /nfs/dbraw/zinc/34/76/82/518347682.db2.gz IZGAEFQPLGJTKM-UHFFFAOYSA-N 0 0 432.879 3.612 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)c(F)c1 ZINC000012557862 518348566 /nfs/dbraw/zinc/34/85/66/518348566.db2.gz URJRTCWQSHYOJN-HNNXBMFYSA-N 0 0 449.320 3.907 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000023861394 518373938 /nfs/dbraw/zinc/37/39/38/518373938.db2.gz XDDKLDJGGXUCKP-CYBMUJFWSA-N 0 0 437.418 3.685 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000012784353 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CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020307928 519839717 /nfs/dbraw/zinc/83/97/17/519839717.db2.gz JXEGUWDQZNOSMR-HSZRJFAPSA-N 0 0 432.520 3.794 50 0 IHAARN CCCC(=O)N1CC2(c3ccccc3)CN(C(=O)CCC)CC(c3ccccc3)(C1)C2=O ZINC000020447446 519862710 /nfs/dbraw/zinc/86/27/10/519862710.db2.gz ZPYWWEFUHWEIJI-UHFFFAOYSA-N 0 0 432.564 3.716 50 0 IHAARN CC(C)c1nc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)cs1 ZINC000012317652 519863755 /nfs/dbraw/zinc/86/37/55/519863755.db2.gz FACMZFZMHGUVDC-OKILXGFUSA-N 0 0 433.603 3.515 50 0 IHAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 ZINC000012854493 519869119 /nfs/dbraw/zinc/86/91/19/519869119.db2.gz UHVBHCOCDUSTAF-UHFFFAOYSA-N 0 0 438.597 3.879 50 0 IHAARN CCCNC(=O)N1CCCN(c2nc([C@@H](C)CC)nc3c2cnn3-c2ccccc2)CC1 ZINC000036003089 519883459 /nfs/dbraw/zinc/88/34/59/519883459.db2.gz WIBISJSNAUNWFU-SFHVURJKSA-N 0 0 435.576 3.961 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000021706485 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CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000012411287 520383145 /nfs/dbraw/zinc/38/31/45/520383145.db2.gz JYLAVTHXZBREAH-OAQYLSRUSA-N 0 0 442.943 3.744 50 0 IHAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1C ZINC000021756903 520412970 /nfs/dbraw/zinc/41/29/70/520412970.db2.gz WEXWDWAAIALMAA-UHFFFAOYSA-N 0 0 432.542 3.510 50 0 IHAARN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(Sc3nncn3C)o2)CC1 ZINC000012431097 520464507 /nfs/dbraw/zinc/46/45/07/520464507.db2.gz HXNLSNXREKKEDL-UHFFFAOYSA-N 0 0 440.569 3.947 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2C)c2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000021351276 520475761 /nfs/dbraw/zinc/47/57/61/520475761.db2.gz RFCRUCKNQYOOBZ-JOCHJYFZSA-N 0 0 449.486 3.611 50 0 IHAARN CC1(C)C[C@H](NC(=O)COc2ccccc2)C[C@@](C)(CNC(=O)COc2ccccc2)C1 ZINC000012384364 520549969 /nfs/dbraw/zinc/54/99/69/520549969.db2.gz ACZFMLYUNUPEFO-RXFWQSSRSA-N 0 0 438.568 3.962 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CCCN2CCCCC2=O)C1 ZINC000011841323 520573860 /nfs/dbraw/zinc/57/38/60/520573860.db2.gz MUBHWQLRPNFAPO-HXUWFJFHSA-N 0 0 426.536 3.934 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)CC1 ZINC000022626261 520579695 /nfs/dbraw/zinc/57/96/95/520579695.db2.gz VCBAANHWUWEIGG-GOSISDBHSA-N 0 0 444.557 3.568 50 0 IHAARN CC1(C)Cc2cccc(OCCNC(=O)C3CCN(C(=O)c4cccs4)CC3)c2O1 ZINC000024449897 520584169 /nfs/dbraw/zinc/58/41/69/520584169.db2.gz KIOFECHMXWWPPZ-UHFFFAOYSA-N 0 0 428.554 3.509 50 0 IHAARN CC1(C)Cc2nc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)sc2C(=O)C1 ZINC000016047945 520586971 /nfs/dbraw/zinc/58/69/71/520586971.db2.gz OXTMSAWECQMLHE-UHFFFAOYSA-N 0 0 426.947 3.754 50 0 IHAARN CCOC(=O)C1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CC1 ZINC000034699509 520586978 /nfs/dbraw/zinc/58/69/78/520586978.db2.gz SRLTYBXLGGORFE-UHFFFAOYSA-N 0 0 425.876 3.970 50 0 IHAARN CCOc1c(Cl)cc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1OC ZINC000012899685 520594367 /nfs/dbraw/zinc/59/43/67/520594367.db2.gz AYCLBMWVKKYFLA-LCCNJJIFSA-N 0 0 444.959 3.950 50 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ZINC000035458206 520988340 /nfs/dbraw/zinc/98/83/40/520988340.db2.gz DVPLEOMOIDSMAC-HSZRJFAPSA-N 0 0 431.536 3.710 50 0 IHAARN CCOc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1OC ZINC000021529859 520995811 /nfs/dbraw/zinc/99/58/11/520995811.db2.gz GVZDNKATNDQYFT-UHFFFAOYSA-N 0 0 439.487 3.782 50 0 IHAARN CCOc1ccc(N(C(=O)c2ccccc2Br)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833822 521020455 /nfs/dbraw/zinc/02/04/55/521020455.db2.gz CKJFVKIWLCISBH-HNNXBMFYSA-N 0 0 436.327 3.805 50 0 IHAARN CCOc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc(F)cc4)nn32)cc1 ZINC000015776400 521056768 /nfs/dbraw/zinc/05/67/68/521056768.db2.gz RLXMVOYYVWUJGZ-UHFFFAOYSA-N 0 0 434.475 3.846 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1 ZINC000035532870 521066602 /nfs/dbraw/zinc/06/66/02/521066602.db2.gz FFSJTVAKWMWHFV-UHFFFAOYSA-N 0 0 447.611 3.769 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000012851489 521067831 /nfs/dbraw/zinc/06/78/31/521067831.db2.gz JOSZFOXPMXLOMG-UHFFFAOYSA-N 0 0 445.497 3.892 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 ZINC000033293146 521075296 /nfs/dbraw/zinc/07/52/96/521075296.db2.gz BFHBERUIZRMDBM-UHFFFAOYSA-N 0 0 446.463 3.611 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3cccnc32)C(C)C)cc1 ZINC000020995225 521102372 /nfs/dbraw/zinc/10/23/72/521102372.db2.gz JDQHONJXOFELSZ-FQEVSTJZSA-N 0 0 427.526 3.575 50 0 IHAARN CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000012814726 521170061 /nfs/dbraw/zinc/17/00/61/521170061.db2.gz IUQFPBKLFWMOHG-MRXNPFEDSA-N 0 0 425.481 3.578 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(C)c1)[C@H](C(=O)N1CCCCC1)C2 ZINC000065167023 521219881 /nfs/dbraw/zinc/21/98/81/521219881.db2.gz RMKCSAUXOWMFTI-QHCPKHFHSA-N 0 0 433.552 3.923 50 0 IHAARN CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 ZINC000021785375 521326007 /nfs/dbraw/zinc/32/60/07/521326007.db2.gz ALNOBRMQGOWECO-MRXNPFEDSA-N 0 0 425.558 3.700 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)sc2n1 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HXOYYRBPOHEXLS-JXFKEZNVSA-N 0 0 438.553 3.857 50 0 IHAARN CCCCn1c2nnc(CCC(=O)NCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000035528738 521376737 /nfs/dbraw/zinc/37/67/37/521376737.db2.gz HJUHEKUJHZBVDG-UHFFFAOYSA-N 0 0 443.960 3.808 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000035531927 521378863 /nfs/dbraw/zinc/37/88/63/521378863.db2.gz ULKRMCQIFYCXKO-UHFFFAOYSA-N 0 0 427.555 3.945 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccncc2)C(=O)C2CCC2)c(C)n1CC ZINC000036003342 521386091 /nfs/dbraw/zinc/38/60/91/521386091.db2.gz XSTALEVITITXPW-UHFFFAOYSA-N 0 0 425.529 3.708 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc(F)cc1Cl ZINC000012787696 521387687 /nfs/dbraw/zinc/38/76/87/521387687.db2.gz LLPRODONIAKDJK-UHFFFAOYSA-N 0 0 429.853 3.830 50 0 IHAARN CCOC(=O)c1c(N)c(S(=O)(=O)c2ccc(CC)cc2)nn1-c1ccc(Cl)cc1 ZINC000021147419 521407445 /nfs/dbraw/zinc/40/74/45/521407445.db2.gz XALPHJAGYRMDQO-UHFFFAOYSA-N 0 0 433.917 3.680 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CCC2 ZINC000035447158 521414353 /nfs/dbraw/zinc/41/43/53/521414353.db2.gz SPZHHQOYGXATBQ-UHFFFAOYSA-N 0 0 447.988 3.828 50 0 IHAARN CCOC(=O)c1cc(O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc(C(=O)OCC)c1 ZINC000022040089 521446600 /nfs/dbraw/zinc/44/66/00/521446600.db2.gz MYKJZWAVQUZOBZ-OAHLLOKOSA-N 0 0 431.460 3.605 50 0 IHAARN CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(Br)c1 ZINC000012817118 521469074 /nfs/dbraw/zinc/46/90/74/521469074.db2.gz DXPCGQNITUCRGN-AWEZNQCLSA-N 0 0 425.348 3.795 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000035373340 521492354 /nfs/dbraw/zinc/49/23/54/521492354.db2.gz QEAYWILXTGSVQP-UHFFFAOYSA-N 0 0 446.463 3.635 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000012799275 521539687 /nfs/dbraw/zinc/53/96/87/521539687.db2.gz FVLQNWQPXASTHE-JOCHJYFZSA-N 0 0 446.334 3.951 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1F)CCN(Cc1ccccc1)C2 ZINC000035457232 521540097 /nfs/dbraw/zinc/54/00/97/521540097.db2.gz JKTRYGSHOAKWFS-UHFFFAOYSA-N 0 0 448.542 3.840 50 0 IHAARN CCCc1nn2c(nc(COc3cccc(NC(=O)c4cccs4)c3)cc2=O)s1 ZINC000020859459 521559638 /nfs/dbraw/zinc/55/96/38/521559638.db2.gz UQNHKBVHMFQICC-UHFFFAOYSA-N 0 0 426.523 3.996 50 0 IHAARN CCOC(=O)c1sc(NC(=O)Cn2nc(C)c(Cl)c2C)c(C(=O)OCC)c1C ZINC000012413653 521613507 /nfs/dbraw/zinc/61/35/07/521613507.db2.gz HLUQHLHKASLTPI-UHFFFAOYSA-N 0 0 427.910 3.515 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](C(=O)OC)c3ccccc3)nc21 ZINC000012411488 521637538 /nfs/dbraw/zinc/63/75/38/521637538.db2.gz FZKDBJZKCGIXKS-LJQANCHMSA-N 0 0 449.536 3.512 50 0 IHAARN CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000022732734 521659567 /nfs/dbraw/zinc/65/95/67/521659567.db2.gz UOTXAKNHAJFBCM-UHFFFAOYSA-N 0 0 435.446 3.655 50 0 IHAARN CCCn1nc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2cnn(CC)c2C)c1C ZINC000020602566 521669134 /nfs/dbraw/zinc/66/91/34/521669134.db2.gz VGGSSLXDSUQODF-UHFFFAOYSA-N 0 0 443.617 3.868 50 0 IHAARN CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000012281642 521676479 /nfs/dbraw/zinc/67/64/79/521676479.db2.gz QSBYROYZBZLLER-QFIPXVFZSA-N 0 0 433.512 3.551 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(C(=O)Nc2ccc(OC)cc2)C(C)C)ccc1OC ZINC000035770480 521686451 /nfs/dbraw/zinc/68/64/51/521686451.db2.gz DVEYZBSVDUPWLO-UHFFFAOYSA-N 0 0 436.530 3.875 50 0 IHAARN CCC1(CC)C[C@@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 ZINC000014542352 521691247 /nfs/dbraw/zinc/69/12/47/521691247.db2.gz HFZXUAVRSXNENS-FGZHOGPDSA-N 0 0 427.589 3.797 50 0 IHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1S(C)(=O)=O ZINC000023080709 521695180 /nfs/dbraw/zinc/69/51/80/521695180.db2.gz RGJFLZQBZVCGGL-UHFFFAOYSA-N 0 0 433.917 3.846 50 0 IHAARN CCCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012889508 521696833 /nfs/dbraw/zinc/69/68/33/521696833.db2.gz QKKRZVGISCVKGV-SFHVURJKSA-N 0 0 436.647 3.772 50 0 IHAARN CCCN1C(=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000020595052 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IHAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cs2)cc1OC ZINC000012902771 523188114 /nfs/dbraw/zinc/18/81/14/523188114.db2.gz LTMXDYAZPYGUBZ-UHFFFAOYSA-N 0 0 429.473 3.677 50 0 IHAARN CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000012851414 523222274 /nfs/dbraw/zinc/22/22/74/523222274.db2.gz ZXXZSPHRELVSBR-QGZVFWFLSA-N 0 0 449.580 3.861 50 0 IHAARN COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)c(OC)c1 ZINC000020467726 523223096 /nfs/dbraw/zinc/22/30/96/523223096.db2.gz YRCUKCHVEJNBOI-UHFFFAOYSA-N 0 0 445.269 3.922 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N3)cc1 ZINC000020745965 523233581 /nfs/dbraw/zinc/23/35/81/523233581.db2.gz IUKZJWAACVPHFZ-CQSZACIVSA-N 0 0 432.267 3.783 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC3(CC2)OCCO3)cc1OC ZINC000012933680 523240805 /nfs/dbraw/zinc/24/08/05/523240805.db2.gz SKARPIPQYKJWCJ-UHFFFAOYSA-N 0 0 449.507 3.536 50 0 IHAARN CCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)nnc1-c1ccoc1C ZINC000012690300 523243002 /nfs/dbraw/zinc/24/30/02/523243002.db2.gz BEVAPYIJHGNDJF-UHFFFAOYSA-N 0 0 429.527 3.968 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccoc1C ZINC000009665126 523244575 /nfs/dbraw/zinc/24/45/75/523244575.db2.gz VDPJMKCONLPHHS-LLVKDONJSA-N 0 0 445.570 3.635 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccc(F)cc3C)c1=O)c(C)nn2-c1ccccc1 ZINC000021641178 523255385 /nfs/dbraw/zinc/25/53/85/523255385.db2.gz MTEXBANWFZJIMI-UHFFFAOYSA-N 0 0 433.487 3.929 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000021112654 523257136 /nfs/dbraw/zinc/25/71/36/523257136.db2.gz WVIGYAANBMCFCY-UHFFFAOYSA-N 0 0 426.567 3.655 50 0 IHAARN COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)n[nH]2)cc1 ZINC000012101543 523260040 /nfs/dbraw/zinc/26/00/40/523260040.db2.gz OUCXWWVJYDEEPR-UHFFFAOYSA-N 0 0 434.905 3.882 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CCNC3=NS(=O)(=O)c4ccccc43)ccc21 ZINC000015596412 523275176 /nfs/dbraw/zinc/27/51/76/523275176.db2.gz HZLMZECJBJRPNX-UHFFFAOYSA-N 0 0 446.532 3.882 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)COc3cccc4ccccc43)n2)cc1OC ZINC000012654589 523283574 /nfs/dbraw/zinc/28/35/74/523283574.db2.gz HVZKHBJEOAUGDX-UHFFFAOYSA-N 0 0 433.464 3.944 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)n2)cc1 ZINC000012745556 523296615 /nfs/dbraw/zinc/29/66/15/523296615.db2.gz DFGATBZMTOPSGQ-KRWDZBQOSA-N 0 0 437.481 3.679 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccccc4F)CC3)n2)cc1OC ZINC000020847893 523297431 /nfs/dbraw/zinc/29/74/31/523297431.db2.gz USQWEANNHAYUBI-UHFFFAOYSA-N 0 0 426.448 3.748 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)NCCCN(C)c4ccccc4)CC3)n2)cc1 ZINC000021945049 523297984 /nfs/dbraw/zinc/29/79/84/523297984.db2.gz STZCLBMMNKQSST-UHFFFAOYSA-N 0 0 449.555 3.604 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(OC)c(OC)c1 ZINC000012866954 523338613 /nfs/dbraw/zinc/33/86/13/523338613.db2.gz KHAVKMZPLAOYLV-INIZCTEOSA-N 0 0 441.509 3.565 50 0 IHAARN COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1Br)c1ccc(C)cc1 ZINC000012871072 523341074 /nfs/dbraw/zinc/34/10/74/523341074.db2.gz UMLDMRSVHNYQTG-INIZCTEOSA-N 0 0 426.332 3.649 50 0 IHAARN COCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)cc(C)c1 ZINC000021855415 523353899 /nfs/dbraw/zinc/35/38/99/523353899.db2.gz DQWLBUBTUFQRDJ-AREMUKBSSA-N 0 0 446.551 3.739 50 0 IHAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C)c(C)c1 ZINC000021855401 523363031 /nfs/dbraw/zinc/36/30/31/523363031.db2.gz YTBLWICLBUZFDA-SANMLTNESA-N 0 0 446.551 3.739 50 0 IHAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(C)c1C ZINC000021855294 523363794 /nfs/dbraw/zinc/36/37/94/523363794.db2.gz OIYXDZWJRFZXRB-SANMLTNESA-N 0 0 446.551 3.739 50 0 IHAARN COC(=O)Cc1csc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 ZINC000012296718 523381174 /nfs/dbraw/zinc/38/11/74/523381174.db2.gz KQCRQPAIMMVSNM-UHFFFAOYSA-N 0 0 426.450 3.509 50 0 biogenic IHAARN COCCCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccccc21 ZINC000020355961 523381832 /nfs/dbraw/zinc/38/18/32/523381832.db2.gz QWWVJZBJPJENSU-UHFFFAOYSA-N 0 0 439.541 3.682 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1Br ZINC000024173466 523588934 /nfs/dbraw/zinc/58/89/34/523588934.db2.gz CUBQCCIKKSEBPI-UHFFFAOYSA-N 0 0 432.270 3.624 50 0 IHAARN CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000012535602 523610862 /nfs/dbraw/zinc/61/08/62/523610862.db2.gz IFINSCCSYJDLHW-UHFFFAOYSA-N 0 0 444.539 3.592 50 0 IHAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012767419 523624994 /nfs/dbraw/zinc/62/49/94/523624994.db2.gz JZIOPSVDSNZGAS-LJQANCHMSA-N 0 0 436.574 3.824 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1)C(=O)C(C)C ZINC000035962567 523651660 /nfs/dbraw/zinc/65/16/60/523651660.db2.gz IYVAXBULWHEHDZ-HSZRJFAPSA-N 0 0 437.540 3.504 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)C1CCC1 ZINC000035946734 523652848 /nfs/dbraw/zinc/65/28/48/523652848.db2.gz CHBHSHGBVUUGHX-HXUWFJFHSA-N 0 0 443.544 3.840 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035946526 523653331 /nfs/dbraw/zinc/65/33/31/523653331.db2.gz WDOUBGDUZYZAGM-HXUWFJFHSA-N 0 0 425.554 3.619 50 0 IHAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000036051612 523666885 /nfs/dbraw/zinc/66/68/85/523666885.db2.gz FZYAATDRGOFTHZ-DNQXCXABSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN COc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)c(OC)c1 ZINC000012152835 523717284 /nfs/dbraw/zinc/71/72/84/523717284.db2.gz KKWBWBXOUZDQSS-UHFFFAOYSA-N 0 0 441.557 3.569 50 0 IHAARN COCCN(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)c1ccco1 ZINC000035944618 523739296 /nfs/dbraw/zinc/73/92/96/523739296.db2.gz NEYHVZGPPFQKMA-UHFFFAOYSA-N 0 0 427.526 3.948 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1OC ZINC000033290862 523766534 /nfs/dbraw/zinc/76/65/34/523766534.db2.gz DAWLSWXDNCJPQO-ZDUSSCGKSA-N 0 0 442.859 3.513 50 0 IHAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1cccc(C)c1 ZINC000041089526 523772569 /nfs/dbraw/zinc/77/25/69/523772569.db2.gz RFFNKDBLEQQSCT-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)c(OC)c1 ZINC000012717605 523779272 /nfs/dbraw/zinc/77/92/72/523779272.db2.gz DTJFMMFCJDFVRV-INIZCTEOSA-N 0 0 429.513 3.825 50 0 IHAARN COc1ccc(C)cc1CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000009218567 523808456 /nfs/dbraw/zinc/80/84/56/523808456.db2.gz QFISVPHTRHWRSF-UHFFFAOYSA-N 0 0 445.441 3.849 50 0 IHAARN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013121261 523809342 /nfs/dbraw/zinc/80/93/42/523809342.db2.gz BDWVPRQETKWSPL-QGZVFWFLSA-N 0 0 432.492 3.691 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C12CCCCC2 ZINC000020738470 523809128 /nfs/dbraw/zinc/80/91/28/523809128.db2.gz OYMJMUIWPAGVNB-QFIPXVFZSA-N 0 0 436.508 3.943 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl ZINC000020722737 523893716 /nfs/dbraw/zinc/89/37/16/523893716.db2.gz XWUDCZXMYUUTCY-FUHWJXTLSA-N 0 0 439.343 3.961 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1Cl ZINC000020722476 523910164 /nfs/dbraw/zinc/91/01/64/523910164.db2.gz VPPKLSZRKSVNNW-PZJWPPBQSA-N 0 0 438.915 3.505 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)NCCc3ccc(C(F)(F)F)cc3)CCC2=O)cc1 ZINC000012089813 523951314 /nfs/dbraw/zinc/95/13/14/523951314.db2.gz VVEQDMDCWWACAO-IBGZPJMESA-N 0 0 448.485 3.854 50 0 IHAARN COc1ccc(CCNC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000012896002 523958956 /nfs/dbraw/zinc/95/89/56/523958956.db2.gz LYMJVIMOLVYVFB-UHFFFAOYSA-N 0 0 445.471 3.912 50 0 biogenic IHAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC000016021191 523967796 /nfs/dbraw/zinc/96/77/96/523967796.db2.gz JGCMIQVFRZRTDQ-HXUWFJFHSA-N 0 0 440.540 3.725 50 0 IHAARN COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012920972 523967885 /nfs/dbraw/zinc/96/78/85/523967885.db2.gz GFLKAANOQYGGEY-HXUWFJFHSA-N 0 0 444.871 3.803 50 0 IHAARN COc1ccc(CCNC(=O)c2cc(COc3ccccc3SC)on2)cc1OC ZINC000012714937 523968905 /nfs/dbraw/zinc/96/89/05/523968905.db2.gz JHAPKQCOSPXDSR-UHFFFAOYSA-N 0 0 428.510 3.965 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)c(OC)c1 ZINC000020515090 523968910 /nfs/dbraw/zinc/96/89/10/523968910.db2.gz MUSFWUKRJNFHEP-SSEXGKCCSA-N 0 0 431.485 3.716 50 0 IHAARN COc1ccc(CCNC(=O)c2cc3c4c(ccc3Cl)OCCn24)c(OC)c1OC ZINC000020560017 523969362 /nfs/dbraw/zinc/96/93/62/523969362.db2.gz XGPFLZMWIWXWNL-UHFFFAOYSA-N 0 0 430.888 3.685 50 0 IHAARN COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN([C@H](C)CC(F)(F)F)C3)cc1 ZINC000020541218 523987069 /nfs/dbraw/zinc/98/70/69/523987069.db2.gz IZHQUBBRCFRJRU-OAHLLOKOSA-N 0 0 438.494 3.535 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015919285 523991857 /nfs/dbraw/zinc/99/18/57/523991857.db2.gz VPZSSDCJGRKYCQ-QGZVFWFLSA-N 0 0 431.485 3.718 50 0 IHAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(C(=O)OC)cc3)no2)cc1 ZINC000035479521 524008390 /nfs/dbraw/zinc/00/83/90/524008390.db2.gz BJUJPGJMVKLXMN-UHFFFAOYSA-N 0 0 438.484 3.704 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3ccc(-n4cncn4)cc3)C2=O)cc1 ZINC000012787336 524022130 /nfs/dbraw/zinc/02/21/30/524022130.db2.gz HMOBVCRJAMHFAX-OYKKKHCWSA-N 0 0 436.471 3.999 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1C ZINC000036001032 524022213 /nfs/dbraw/zinc/02/22/13/524022213.db2.gz ZJIHTMIUVWJOBE-UHFFFAOYSA-N 0 0 432.542 3.624 50 0 IHAARN COc1ccc(CNC(=O)CSc2ncnc3nc(-c4ccc(OC)cc4)ncc32)cc1 ZINC000033300912 524053684 /nfs/dbraw/zinc/05/36/84/524053684.db2.gz IHQOFDVCYPRNGB-UHFFFAOYSA-N 0 0 447.520 3.513 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000035561949 524063412 /nfs/dbraw/zinc/06/34/12/524063412.db2.gz SWHAFSBIFAJTMZ-QGZVFWFLSA-N 0 0 449.551 3.990 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 ZINC000012442940 524075386 /nfs/dbraw/zinc/07/53/86/524075386.db2.gz NDDCSMUMCYDDLO-UHFFFAOYSA-N 0 0 431.514 3.805 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(CCCN1CCOCC1)C3=O ZINC000022610853 524098344 /nfs/dbraw/zinc/09/83/44/524098344.db2.gz PLRCKJGXWLDDCF-QFIPXVFZSA-N 0 0 436.483 3.508 50 0 IHAARN COc1ccc(CNc2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)n2)cc1 ZINC000021035820 524107012 /nfs/dbraw/zinc/10/70/12/524107012.db2.gz CAGQLUORGRHFSG-UHFFFAOYSA-N 0 0 435.503 3.507 50 0 IHAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)NCc4ccc(F)cc4)c3s2)C1 ZINC000035533677 524109471 /nfs/dbraw/zinc/10/94/71/524109471.db2.gz KEHNWKAAKXFCQW-ZDUSSCGKSA-N 0 0 431.562 3.870 50 0 IHAARN COc1ccc(COC[C@H](O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000012782951 524117065 /nfs/dbraw/zinc/11/70/65/524117065.db2.gz OQYKDYSPLJWFNC-OAQYLSRUSA-N 0 0 430.504 3.958 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000012928797 524141141 /nfs/dbraw/zinc/14/11/41/524141141.db2.gz RHKKPHKSXAXHQV-DYVFJYSZSA-N 0 0 429.380 3.542 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3cc(C)n[nH]3)CCC(=O)N2)c2ccccc12 ZINC000012167468 524144048 /nfs/dbraw/zinc/14/40/48/524144048.db2.gz UIHAKQZIMZCKFF-VWLOTQADSA-N 0 0 434.540 3.510 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)c1 ZINC000020981305 524154875 /nfs/dbraw/zinc/15/48/75/524154875.db2.gz RZODHLUIKSOLPJ-QFIPXVFZSA-N 0 0 443.569 3.520 50 0 IHAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c(C)o1 ZINC000042379217 524189169 /nfs/dbraw/zinc/18/91/69/524189169.db2.gz ZOBLZZPAQNAEQZ-UHFFFAOYSA-N 0 0 446.510 3.502 50 0 IHAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n[nH]1 ZINC000012803934 524190156 /nfs/dbraw/zinc/19/01/56/524190156.db2.gz NAKRXMCZVQQNNZ-SFHVURJKSA-N 0 0 444.944 3.826 50 0 IHAARN COc1cccc2c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(C)nc12 ZINC000012321816 524198477 /nfs/dbraw/zinc/19/84/77/524198477.db2.gz SVXMSWSTHQCYIE-UHFFFAOYSA-N 0 0 425.510 3.589 50 0 IHAARN COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2nc(SC)nn2c1C ZINC000012899904 524204476 /nfs/dbraw/zinc/20/44/76/524204476.db2.gz OESPZAWCGBGQAX-UHFFFAOYSA-N 0 0 433.965 3.716 50 0 IHAARN Cc1ccc(C2(c3noc(CN4CCN(c5nc(C)cnc5C)CC4)n3)CCCC2)cc1 ZINC000020653434 524228268 /nfs/dbraw/zinc/22/82/68/524228268.db2.gz OVAXSTFUSKSZPJ-UHFFFAOYSA-N 0 0 432.572 3.967 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012797726 524252414 /nfs/dbraw/zinc/25/24/14/524252414.db2.gz ZZKURXAWZTXLPO-KBPBESRZSA-N 0 0 446.910 3.502 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000020820163 524275799 /nfs/dbraw/zinc/27/57/99/524275799.db2.gz VAFWURYGRHLKGY-IAGOWNOFSA-N 0 0 436.508 3.549 50 0 IHAARN COc1ccccc1-c1nc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)n[nH]1 ZINC000020982791 524276607 /nfs/dbraw/zinc/27/66/07/524276607.db2.gz DXBOHQOQZOOXMX-UHFFFAOYSA-N 0 0 425.539 3.721 50 0 IHAARN Cc1ccc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000021654627 524278514 /nfs/dbraw/zinc/27/85/14/524278514.db2.gz JDXANBCICTYJSP-UHFFFAOYSA-N 0 0 441.578 3.688 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@H](c1ccccn1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243748 524282410 /nfs/dbraw/zinc/28/24/10/524282410.db2.gz PJYJZYRMVZZOJO-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c(C)c1 ZINC000012415854 524292913 /nfs/dbraw/zinc/29/29/13/524292913.db2.gz GUDBNRJQMAAZRN-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN Cc1ccc(CCC2CCN(CC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)CC2)cc1 ZINC000012757661 524305050 /nfs/dbraw/zinc/30/50/50/524305050.db2.gz SOBTWPBPUBLSPT-UHFFFAOYSA-N 0 0 443.613 3.543 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009663168 524308485 /nfs/dbraw/zinc/30/84/85/524308485.db2.gz DDRYJIQLFBHYHG-HXUWFJFHSA-N 0 0 437.550 3.730 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)C2CCCCC2)CC3)c(C)c1 ZINC000020614782 524318824 /nfs/dbraw/zinc/31/88/24/524318824.db2.gz DFCPLASKEZCSNI-UHFFFAOYSA-N 0 0 434.602 3.532 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000035887794 524344134 /nfs/dbraw/zinc/34/41/34/524344134.db2.gz USLPUPRAIUIHCS-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)N2CCC(C)CC2)CCS3)c1 ZINC000012140529 524357129 /nfs/dbraw/zinc/35/71/29/524357129.db2.gz VPQXRLAWURYFPP-UHFFFAOYSA-N 0 0 429.611 3.848 50 0 IHAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000016742578 524358572 /nfs/dbraw/zinc/35/85/72/524358572.db2.gz QMAVWIRJHCDIAZ-PKOBYXMFSA-N 0 0 433.570 3.869 50 0 IHAARN COc1ccc(N2C(=O)C(=O)N(CN3CCc4sccc4[C@@H]3c3ccccc3)C2=O)cc1 ZINC000012799092 524385483 /nfs/dbraw/zinc/38/54/83/524385483.db2.gz HAMYWHNRPCRIBW-NRFANRHFSA-N 0 0 447.516 3.657 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020581576 524411979 /nfs/dbraw/zinc/41/19/79/524411979.db2.gz RPAQFZZWAXYVRF-OALUTQOASA-N 0 0 438.471 3.930 50 0 IHAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1 ZINC000016047514 524414859 /nfs/dbraw/zinc/41/48/59/524414859.db2.gz NBVQOQCNSPGJBV-UHFFFAOYSA-N 0 0 440.525 3.706 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)C2CC2)C1 ZINC000034755232 524418963 /nfs/dbraw/zinc/41/89/63/524418963.db2.gz GEYNJRIAZOTKOQ-VXKWHMMOSA-N 0 0 438.543 3.844 50 0 IHAARN Cc1cccc(CNC(=O)C[S@](=O)Cc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000021109770 524420090 /nfs/dbraw/zinc/42/00/90/524420090.db2.gz WQBYRZSLNPXZLY-HKBQPEDESA-N 0 0 432.549 3.537 50 0 IHAARN COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000012856103 524432389 /nfs/dbraw/zinc/43/23/89/524432389.db2.gz OLWSHTAESRLTSS-UHFFFAOYSA-N 0 0 446.569 3.541 50 0 IHAARN COc1ccccc1CNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012906437 524466102 /nfs/dbraw/zinc/46/61/02/524466102.db2.gz FIGDWYAMQGWUJV-UHFFFAOYSA-N 0 0 429.538 3.876 50 0 IHAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000035887783 524472656 /nfs/dbraw/zinc/47/26/56/524472656.db2.gz LIFIJXKGTQXMFG-UHFFFAOYSA-N 0 0 444.535 3.684 50 0 IHAARN Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)s2)c1Cl ZINC000012909216 524472852 /nfs/dbraw/zinc/47/28/52/524472852.db2.gz LCPDHASPBHKNBM-UHFFFAOYSA-N 0 0 449.985 3.914 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000012911375 524473889 /nfs/dbraw/zinc/47/38/89/524473889.db2.gz NUKANVHNHJUJLW-UHFFFAOYSA-N 0 0 448.972 3.877 50 0 IHAARN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885292 524477305 /nfs/dbraw/zinc/47/73/05/524477305.db2.gz AVKSLECDXNYIHQ-IBGZPJMESA-N 0 0 446.507 3.682 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)o1 ZINC000015863278 524495813 /nfs/dbraw/zinc/49/58/13/524495813.db2.gz RHEKWUWIFSLNDJ-UHFFFAOYSA-N 0 0 435.528 3.616 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)c(OC)c1 ZINC000012140492 524505659 /nfs/dbraw/zinc/50/56/59/524505659.db2.gz XZNUAOQLSZZJJH-UHFFFAOYSA-N 0 0 425.466 3.620 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000012140736 524513065 /nfs/dbraw/zinc/51/30/65/524513065.db2.gz ITXMKDUSFQVHHP-UHFFFAOYSA-N 0 0 439.471 3.523 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)cc1 ZINC000035535154 524514076 /nfs/dbraw/zinc/51/40/76/524514076.db2.gz WXEIWGCWUUHESV-UHFFFAOYSA-N 0 0 439.515 3.869 50 0 IHAARN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012782869 524531826 /nfs/dbraw/zinc/53/18/26/524531826.db2.gz JRDHZEQHJNKQSP-RXVVDRJESA-N 0 0 439.556 3.858 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574678 524531957 /nfs/dbraw/zinc/53/19/57/524531957.db2.gz GLWPYGRYQJHXCL-INIZCTEOSA-N 0 0 434.471 3.718 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)CC1 ZINC000012593070 524542859 /nfs/dbraw/zinc/54/28/59/524542859.db2.gz WKXOTPLDUVGUSS-UHFFFAOYSA-N 0 0 437.569 3.664 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)C(C)C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036043706 524550250 /nfs/dbraw/zinc/55/02/50/524550250.db2.gz KXWXBIWJYKMJCV-GOTSBHOMSA-N 0 0 449.595 3.550 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2sc(-n3nc(C)c(Cl)c3C)nc2C)CC1 ZINC000014608801 524553456 /nfs/dbraw/zinc/55/34/56/524553456.db2.gz XCFMZNKHSLZHMT-UHFFFAOYSA-N 0 0 445.976 3.878 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)CC1 ZINC000021152036 524556483 /nfs/dbraw/zinc/55/64/83/524556483.db2.gz RNKOBCQUAQORJE-UHFFFAOYSA-N 0 0 441.553 3.786 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1C ZINC000021702250 524558743 /nfs/dbraw/zinc/55/87/43/524558743.db2.gz BBAULQHFFYNLMH-UHFFFAOYSA-N 0 0 444.582 3.803 50 0 IHAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3ccccc3C)n2)CC1 ZINC000017136013 524563831 /nfs/dbraw/zinc/56/38/31/524563831.db2.gz JGMVQOUPLUJUFC-UHFFFAOYSA-N 0 0 429.528 3.751 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)c1C ZINC000012764882 524567560 /nfs/dbraw/zinc/56/75/60/524567560.db2.gz CDFQMSIVCPMIAG-CQSZACIVSA-N 0 0 434.277 3.900 50 0 IHAARN Cc1cc(C)n2nc(N(Cc3c(F)cccc3Cl)S(=O)(=O)c3ccccc3)nc2n1 ZINC000021659975 524571113 /nfs/dbraw/zinc/57/11/13/524571113.db2.gz ZXMMVIHIVMRCBL-UHFFFAOYSA-N 0 0 445.907 3.929 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000012764616 524598303 /nfs/dbraw/zinc/59/83/03/524598303.db2.gz RNSTVEUMOAWESV-UHFFFAOYSA-N 0 0 434.462 3.689 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)c1 ZINC000015982118 524608822 /nfs/dbraw/zinc/60/88/22/524608822.db2.gz XDBCBKPAGWGXLS-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021800868 524616878 /nfs/dbraw/zinc/61/68/78/524616878.db2.gz JBMKZKDVXKJIPZ-UHFFFAOYSA-N 0 0 448.483 3.704 50 0 IHAARN COc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cn1 ZINC000012741621 524652366 /nfs/dbraw/zinc/65/23/66/524652366.db2.gz UWNBRGHEFNDNPN-UHFFFAOYSA-N 0 0 431.296 3.961 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2O1 ZINC000041157584 524658306 /nfs/dbraw/zinc/65/83/06/524658306.db2.gz LGMOTKMKVQJZJO-KRWDZBQOSA-N 0 0 438.505 3.680 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012548521 524690204 /nfs/dbraw/zinc/69/02/04/524690204.db2.gz BAVSOFUELRCFRK-UHFFFAOYSA-N 0 0 440.477 3.520 50 0 IHAARN COc1ccc(Nc2ccccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000012554158 524716489 /nfs/dbraw/zinc/71/64/89/524716489.db2.gz WVUNKGRDMSEPMV-UHFFFAOYSA-N 0 0 425.510 3.941 50 0 IHAARN COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012922878 524718303 /nfs/dbraw/zinc/71/83/03/524718303.db2.gz LQWZIJXMCTVYGN-UWXVCKHVSA-N 0 0 428.554 3.585 50 0 IHAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012516866 524723536 /nfs/dbraw/zinc/72/35/36/524723536.db2.gz WCXKNEUMTLDELG-OAHLLOKOSA-N 0 0 427.526 3.667 50 0 IHAARN Cc1cc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccc1F ZINC000013006823 524727438 /nfs/dbraw/zinc/72/74/38/524727438.db2.gz ZTNBKRWJXGKYQD-UHFFFAOYSA-N 0 0 426.355 3.986 50 0 IHAARN Cc1cccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 ZINC000021963972 524740394 /nfs/dbraw/zinc/74/03/94/524740394.db2.gz IZGWSCNHXSBRSZ-UHFFFAOYSA-N 0 0 444.578 3.686 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000020848418 524741544 /nfs/dbraw/zinc/74/15/44/524741544.db2.gz YWWMMFKJFFEVQN-UHFFFAOYSA-N 0 0 442.368 3.693 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21 ZINC000035402493 524742773 /nfs/dbraw/zinc/74/27/73/524742773.db2.gz QRTGWIVMXWXNDT-UHFFFAOYSA-N 0 0 443.956 3.962 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C ZINC000000669168 524744340 /nfs/dbraw/zinc/74/43/40/524744340.db2.gz SJLBYTIEZLRBQS-CQSZACIVSA-N 0 0 443.960 3.999 50 0 IHAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(F)cc2)n1 ZINC000015670571 524804555 /nfs/dbraw/zinc/80/45/55/524804555.db2.gz PDZMIAYDIOMELQ-QGZVFWFLSA-N 0 0 430.443 3.655 50 0 IHAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C(=O)NCc1cccnc1 ZINC000036055127 524817751 /nfs/dbraw/zinc/81/77/51/524817751.db2.gz RPDBABPABFTZOT-PKTZIBPZSA-N 0 0 429.520 3.571 50 0 IHAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@@H](c3ccccc3)C2=O)c1 ZINC000015412813 524843251 /nfs/dbraw/zinc/84/32/51/524843251.db2.gz VNAGYVVNBJVYDY-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)c1 ZINC000009263076 524851958 /nfs/dbraw/zinc/85/19/58/524851958.db2.gz XQKBAJWFIHKGSK-UHFFFAOYSA-N 0 0 442.541 3.759 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000024199764 524861962 /nfs/dbraw/zinc/86/19/62/524861962.db2.gz NQHFCASTYNIFBM-VFNWGFHPSA-N 0 0 438.480 3.538 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 ZINC000035399233 524874141 /nfs/dbraw/zinc/87/41/41/524874141.db2.gz JBEYWCMMGYKGKP-UHFFFAOYSA-N 0 0 439.537 3.600 50 0 biogenic IHAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000012635550 524905269 /nfs/dbraw/zinc/90/52/69/524905269.db2.gz GXIZTUHCTROXSR-UHFFFAOYSA-N 0 0 439.946 3.703 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCCC(C)C)c1 ZINC000036045588 524916671 /nfs/dbraw/zinc/91/66/71/524916671.db2.gz GSSBUJIKLYNSLF-NHCUHLMSSA-N 0 0 442.531 3.861 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059493 524917089 /nfs/dbraw/zinc/91/70/89/524917089.db2.gz IGWOIJWYNHPZJK-FGZHOGPDSA-N 0 0 448.519 3.811 50 0 IHAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000012448122 524925261 /nfs/dbraw/zinc/92/52/61/524925261.db2.gz QFZXDWBRPJSYPW-HSZRJFAPSA-N 0 0 437.540 3.847 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)CC2=O)cc1 ZINC000009668534 524978341 /nfs/dbraw/zinc/97/83/41/524978341.db2.gz QEVTVEMSZGNDKY-KRWDZBQOSA-N 0 0 441.478 3.503 50 0 IHAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Br)o3)CC2=O)cc1 ZINC000021778055 524987427 /nfs/dbraw/zinc/98/74/27/524987427.db2.gz MJMDAUOJWBEFBP-CYBMUJFWSA-N 0 0 441.285 3.913 50 0 IHAARN COc1ccc(Oc2nc(-c3ccc(OC)cc3)ncc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000035988159 524994500 /nfs/dbraw/zinc/99/45/00/524994500.db2.gz PVOIGUUXNWVHDB-HXUWFJFHSA-N 0 0 435.480 3.862 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000012380252 525006417 /nfs/dbraw/zinc/00/64/17/525006417.db2.gz WPBFQGOPWXOOOV-UHFFFAOYSA-N 0 0 438.505 3.975 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 ZINC000022485349 525006596 /nfs/dbraw/zinc/00/65/96/525006596.db2.gz VIZLLFMEULDKEF-IBGZPJMESA-N 0 0 430.508 3.714 50 0 IHAARN Cc1cc(I)cnc1NC(=O)COc1ccc(Br)cc1 ZINC000009192365 525012139 /nfs/dbraw/zinc/01/21/39/525012139.db2.gz CAKPVXKSUCVBRU-UHFFFAOYSA-N 0 0 447.070 3.775 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccccc3Cl)n2n1 ZINC000017136118 525012137 /nfs/dbraw/zinc/01/21/37/525012137.db2.gz GCPOSKHKPWGOOK-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000012528738 525025164 /nfs/dbraw/zinc/02/51/64/525025164.db2.gz WPJNVXJIURZAMD-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN Cc1ccccc1-n1cc(CN(C)C(=O)c2nc(N3CCCC3)nc3c2CCCC3)cn1 ZINC000012593226 525032380 /nfs/dbraw/zinc/03/23/80/525032380.db2.gz RBNXTBQTHUNROI-UHFFFAOYSA-N 0 0 430.556 3.722 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000011844070 525032874 /nfs/dbraw/zinc/03/28/74/525032874.db2.gz SQZDORODAIXDKK-HXUWFJFHSA-N 0 0 441.535 3.871 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022767473 525061777 /nfs/dbraw/zinc/06/17/77/525061777.db2.gz ZRIXUQQZNWNPIC-QFIPXVFZSA-N 0 0 428.579 3.835 50 0 IHAARN Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000035562213 525094149 /nfs/dbraw/zinc/09/41/49/525094149.db2.gz UPGVZTVQQMNLMW-UHFFFAOYSA-N 0 0 440.341 3.766 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012525706 525145431 /nfs/dbraw/zinc/14/54/31/525145431.db2.gz WZHPFAYCYQNTGB-UHFFFAOYSA-N 0 0 445.850 3.892 50 0 IHAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000035526925 525164523 /nfs/dbraw/zinc/16/45/23/525164523.db2.gz MTYJTEURPVBMNT-OAQYLSRUSA-N 0 0 438.952 3.895 50 0 IHAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC2CC2)C(=O)C2CC2)n1CC(C)C ZINC000036039822 525181104 /nfs/dbraw/zinc/18/11/04/525181104.db2.gz IMVJQEVLJXDAIK-UHFFFAOYSA-N 0 0 443.613 3.970 50 0 IHAARN COc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000032969222 525181643 /nfs/dbraw/zinc/18/16/43/525181643.db2.gz FOJGEOKQZCOZRR-OAQYLSRUSA-N 0 0 432.948 3.696 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)cc1 ZINC000023935788 525188050 /nfs/dbraw/zinc/18/80/50/525188050.db2.gz MQSLUTVNUIPNGB-GOSISDBHSA-N 0 0 429.567 3.684 50 0 IHAARN C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 ZINC000012771101 525189259 /nfs/dbraw/zinc/18/92/59/525189259.db2.gz APYQSCUMYAIFRY-QKVFXAPYSA-N 0 0 432.307 3.780 50 0 IHAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1 ZINC000012926395 525201704 /nfs/dbraw/zinc/20/17/04/525201704.db2.gz MZMNCZSEVYXCNN-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccn1 ZINC000021862224 525202933 /nfs/dbraw/zinc/20/29/33/525202933.db2.gz XHJZNZXGAYGBCO-RUZDIDTESA-N 0 0 431.540 3.685 50 0 IHAARN Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1Br ZINC000012775999 525213756 /nfs/dbraw/zinc/21/37/56/525213756.db2.gz XCXVNABXDGKNGM-HNNXBMFYSA-N 0 0 431.377 3.761 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 ZINC000012767704 525224799 /nfs/dbraw/zinc/22/47/99/525224799.db2.gz PXOPINKFSWDPOL-LBPRGKRZSA-N 0 0 427.428 3.833 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)no1 ZINC000015641513 525227601 /nfs/dbraw/zinc/22/76/01/525227601.db2.gz PTLAHKCKCRFGLN-ZDUSSCGKSA-N 0 0 433.921 3.580 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670596 525236528 /nfs/dbraw/zinc/23/65/28/525236528.db2.gz WLTNQZRBUUSOIP-SFHVURJKSA-N 0 0 430.443 3.655 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 ZINC000012811029 525238986 /nfs/dbraw/zinc/23/89/86/525238986.db2.gz XIGPAWLGZCLYJY-KRWDZBQOSA-N 0 0 426.476 3.526 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000020573850 525239179 /nfs/dbraw/zinc/23/91/79/525239179.db2.gz PURVBKYLWKXRBB-RUZDIDTESA-N 0 0 443.528 3.913 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 ZINC000035945822 525240946 /nfs/dbraw/zinc/24/09/46/525240946.db2.gz STUZPVZJGVKGLE-NRFANRHFSA-N 0 0 425.916 3.895 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012928216 525252822 /nfs/dbraw/zinc/25/28/22/525252822.db2.gz RMADAFMEYNTSNJ-JOCHJYFZSA-N 0 0 426.563 3.738 50 0 IHAARN C[C@@H](NC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccn1 ZINC000012565475 525260535 /nfs/dbraw/zinc/26/05/35/525260535.db2.gz SFSDHRHDDYGDJP-CHWSQXEVSA-N 0 0 428.583 3.758 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@@H](C)Cc2ccco2)s1 ZINC000032987327 525267480 /nfs/dbraw/zinc/26/74/80/525267480.db2.gz ZKHITBHAVBZRPL-AWEZNQCLSA-N 0 0 430.555 3.672 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012886034 525268882 /nfs/dbraw/zinc/26/88/82/525268882.db2.gz HYHFCYZHCBKWAW-FQEVSTJZSA-N 0 0 432.592 3.799 50 0 IHAARN CS(=O)(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012796087 525277493 /nfs/dbraw/zinc/27/74/93/525277493.db2.gz PYCTYBWYVGGDNW-QFIPXVFZSA-N 0 0 426.563 3.738 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012568862 525319119 /nfs/dbraw/zinc/31/91/19/525319119.db2.gz CLMHNRVXOJNOSZ-RUZDIDTESA-N 0 0 443.459 3.635 50 0 IHAARN Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000035537617 525358211 /nfs/dbraw/zinc/35/82/11/525358211.db2.gz OGJZARLOSDELIZ-UHFFFAOYSA-N 0 0 440.906 3.972 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000012805603 525359393 /nfs/dbraw/zinc/35/93/93/525359393.db2.gz JFUDUKRDHBTLQT-SFHVURJKSA-N 0 0 439.339 3.814 50 0 IHAARN COc1ccc([C@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)c(OC)c1 ZINC000035143130 525402880 /nfs/dbraw/zinc/40/28/80/525402880.db2.gz KRKDVEYNDBKVTD-MRXNPFEDSA-N 0 0 444.281 3.798 50 0 IHAARN Cc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000012637836 525422998 /nfs/dbraw/zinc/42/29/98/525422998.db2.gz DFEGKFHAXYNPTE-UHFFFAOYSA-N 0 0 437.517 3.982 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(C)(=O)=O)ccc3F)cs2)cc1 ZINC000012758046 525447815 /nfs/dbraw/zinc/44/78/15/525447815.db2.gz MIZFAQOFZARYRP-UHFFFAOYSA-N 0 0 434.514 3.754 50 0 IHAARN CC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000009211267 534857558 /nfs/dbraw/zinc/85/75/58/534857558.db2.gz PGCFYUXUAIWYDP-UHFFFAOYSA-N 0 0 432.528 3.610 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1 ZINC000012225124 525471947 /nfs/dbraw/zinc/47/19/47/525471947.db2.gz SSAXPDKMHCWKAF-UHFFFAOYSA-N 0 0 438.553 3.705 50 0 IHAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c(=O)c12 ZINC000012615389 525508831 /nfs/dbraw/zinc/50/88/31/525508831.db2.gz MEHLKOJBHFVSOR-UHFFFAOYSA-N 0 0 446.532 3.880 50 0 IHAARN Cc1c(-n2nnnc2SCc2cccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000018350341 525512650 /nfs/dbraw/zinc/51/26/50/525512650.db2.gz FGMFDQLIEMSKAJ-UHFFFAOYSA-N 0 0 428.521 3.906 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000035777049 525514341 /nfs/dbraw/zinc/51/43/41/525514341.db2.gz XLLQURSIAZLVFD-UHFFFAOYSA-N 0 0 445.562 3.725 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032889203 525527814 /nfs/dbraw/zinc/52/78/14/525527814.db2.gz YMOCFWYJHVOONE-IRXDYDNUSA-N 0 0 444.553 3.778 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)CC2)cc1 ZINC000012853402 525541286 /nfs/dbraw/zinc/54/12/86/525541286.db2.gz FJHURPBOBMFMBN-UHFFFAOYSA-N 0 0 443.956 3.652 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1C ZINC000023864971 525544232 /nfs/dbraw/zinc/54/42/32/525544232.db2.gz DYJCWCSYPYOWNH-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN Cc1c(C(=O)N2CCOCC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000012782491 525587875 /nfs/dbraw/zinc/58/78/75/525587875.db2.gz XBOAENKLGPUBRS-UHFFFAOYSA-N 0 0 429.567 3.675 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1c(C)cccc1C ZINC000035535033 525600082 /nfs/dbraw/zinc/60/00/82/525600082.db2.gz WSOBSCMBAHQRJF-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1cccc(C)c1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535222 525605565 /nfs/dbraw/zinc/60/55/65/525605565.db2.gz VXIHEYOPKVSITL-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274498 525621224 /nfs/dbraw/zinc/62/12/24/525621224.db2.gz VSGUSOYWWUKFFV-KRWDZBQOSA-N 0 0 437.887 3.946 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(Cc1cccnc1)C3=O ZINC000021857282 525644404 /nfs/dbraw/zinc/64/44/04/525644404.db2.gz QHNJCXKGDHCDMZ-RUZDIDTESA-N 0 0 432.524 3.518 50 0 IHAARN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012786599 525649023 /nfs/dbraw/zinc/64/90/23/525649023.db2.gz SEUYPDVFVZDRJC-CALCHBBNSA-N 0 0 434.583 3.524 50 0 IHAARN COc1ccc2[nH]c(=NC=C3N=C(c4cc(OC)c(OC)c(OC)c4)OC3=O)sc2c1 ZINC000020616307 525669445 /nfs/dbraw/zinc/66/94/45/525669445.db2.gz UONMYRQJGWXUSR-UVTDQMKNSA-N 0 0 441.465 3.588 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccccc3F)cc(=O)n2o1 ZINC000035448200 525672677 /nfs/dbraw/zinc/67/26/77/525672677.db2.gz MRVBVJKACNIRHV-UHFFFAOYSA-N 0 0 437.427 3.640 50 0 IHAARN Cc1cc2nc(COc3cc(NC(=O)COc4ccccc4C)ccc3C)cc(=O)n2o1 ZINC000035428416 525673355 /nfs/dbraw/zinc/67/33/55/525673355.db2.gz PHPDUOSRZKETQB-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4c(C)cccc4C)cc3)cc(=O)n2o1 ZINC000035378604 525673520 /nfs/dbraw/zinc/67/35/20/525673520.db2.gz XKYPZZDZUPVORC-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3cc(NC(=O)COc4ccccc4F)ccc3C)cc(=O)n2o1 ZINC000035428425 525673531 /nfs/dbraw/zinc/67/35/31/525673531.db2.gz DPPJWWNNMQRSOK-UHFFFAOYSA-N 0 0 437.427 3.640 50 0 IHAARN Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 ZINC000020622677 525684155 /nfs/dbraw/zinc/68/41/55/525684155.db2.gz LRFFAUAXJBTBIH-UHFFFAOYSA-N 0 0 442.523 3.554 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)c1 ZINC000033300771 525705872 /nfs/dbraw/zinc/70/58/72/525705872.db2.gz XEKWGVRLUSHMKT-UHFFFAOYSA-N 0 0 438.915 3.533 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(F)c2)c(C)n3C)c1 ZINC000035448499 525711608 /nfs/dbraw/zinc/71/16/08/525711608.db2.gz HFTXRKYEZQTUOQ-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325696 525717219 /nfs/dbraw/zinc/71/72/19/525717219.db2.gz KKHFMXSEWVIINV-NRFANRHFSA-N 0 0 437.565 3.799 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3)n2)c1 ZINC000015670547 525718120 /nfs/dbraw/zinc/71/81/20/525718120.db2.gz DMBKISVHSAUHQB-SFHVURJKSA-N 0 0 430.443 3.655 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325512 525722652 /nfs/dbraw/zinc/72/26/52/525722652.db2.gz LRIUSJMBDAYZAB-FQEVSTJZSA-N 0 0 427.570 3.838 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325700 525724918 /nfs/dbraw/zinc/72/49/18/525724918.db2.gz MDWNCYBMEBIWEW-FQEVSTJZSA-N 0 0 441.528 3.596 50 0 IHAARN COc1cccc(-c2nc(CSc3nnc(SCC(N)=O)s3)cs2)c1OC ZINC000024660195 525726752 /nfs/dbraw/zinc/72/67/52/525726752.db2.gz RNQFNRPEQCDXKH-UHFFFAOYSA-N 0 0 440.597 3.549 50 0 IHAARN Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001110467 525759692 /nfs/dbraw/zinc/75/96/92/525759692.db2.gz BQPPCTPZMYAMDA-UHFFFAOYSA-N 0 0 429.767 3.922 50 0 IHAARN Cc1ccc([C@@H](NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012567544 525773697 /nfs/dbraw/zinc/77/36/97/525773697.db2.gz HCFZGPZUQGNCMC-NOZRDPDXSA-N 0 0 440.609 3.632 50 0 IHAARN Cc1ccnn1CC(=O)NCc1nnc(SCC2CCCCC2)n1-c1ccc(F)cc1 ZINC000012243345 525774996 /nfs/dbraw/zinc/77/49/96/525774996.db2.gz LXVGDKRTCDHQDU-UHFFFAOYSA-N 0 0 442.564 3.900 50 0 IHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000035526942 525801731 /nfs/dbraw/zinc/80/17/31/525801731.db2.gz JMUSWKMALRVXJT-HXUWFJFHSA-N 0 0 442.915 3.725 50 0 IHAARN COc1cccc(C(=O)NCc2nc3ccc(Cl)cc3c(N3CCCC3)n2)c1OC ZINC000012023495 525824143 /nfs/dbraw/zinc/82/41/43/525824143.db2.gz SXJOXEOQOCDWQY-UHFFFAOYSA-N 0 0 426.904 3.831 50 0 IHAARN C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O ZINC000012790502 525825551 /nfs/dbraw/zinc/82/55/51/525825551.db2.gz IASAKCSNRYMSDT-UTKZUKDTSA-N 0 0 438.858 3.918 50 0 IHAARN COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 ZINC000012099338 525876528 /nfs/dbraw/zinc/87/65/28/525876528.db2.gz HKOAFLWBDPITQA-FDDCHVKYSA-N 0 0 426.488 3.839 50 0 IHAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O ZINC000012756151 525887581 /nfs/dbraw/zinc/88/75/81/525887581.db2.gz QSULWKVZZNHWJU-LMKMVOKYSA-N 0 0 449.457 3.901 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021856899 525891460 /nfs/dbraw/zinc/89/14/60/525891460.db2.gz SYDLVRIDEYHYDA-FOIQADDNSA-N 0 0 439.487 3.812 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sccc1C(N)=O ZINC000016053489 525896768 /nfs/dbraw/zinc/89/67/68/525896768.db2.gz VQVJCIKDOIVNTR-CYBMUJFWSA-N 0 0 442.468 3.749 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)NCc4ccccn4)c(C)c32)c1 ZINC000011913675 525902412 /nfs/dbraw/zinc/90/24/12/525902412.db2.gz LOBBJRYYPQARAD-UHFFFAOYSA-N 0 0 433.537 3.988 50 0 IHAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NCC(F)(F)F)nnc2N2CCCCC2)cc1 ZINC000012562540 525903886 /nfs/dbraw/zinc/90/38/86/525903886.db2.gz XPNDXIGGBZYZFC-AWEZNQCLSA-N 0 0 427.496 3.725 50 0 IHAARN COc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)c1 ZINC000014980648 525913374 /nfs/dbraw/zinc/91/33/74/525913374.db2.gz XUWCDPUFPYDIJI-UHFFFAOYSA-N 0 0 437.540 3.527 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NC[C@@H](C)c1ccccc1)nc2C ZINC000020563546 525936353 /nfs/dbraw/zinc/93/63/53/525936353.db2.gz VKUBSUHBKGHGPJ-QGZVFWFLSA-N 0 0 429.524 3.509 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCc1cccc(Cl)c1)nc2C ZINC000020563475 525936841 /nfs/dbraw/zinc/93/68/41/525936841.db2.gz YKHAABIJJDPRMA-UHFFFAOYSA-N 0 0 435.915 3.559 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)N3CCC(C)CC3)CC1)nnc2C ZINC000020564215 525938063 /nfs/dbraw/zinc/93/80/63/525938063.db2.gz SUJVRWDEFHERBD-UHFFFAOYSA-N 0 0 432.572 3.907 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2=O)s1 ZINC000021633401 525942054 /nfs/dbraw/zinc/94/20/54/525942054.db2.gz GRNFDBGNUOOISK-UHFFFAOYSA-N 0 0 425.491 3.735 50 0 IHAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)NC(C)C)c1 ZINC000036043231 525953775 /nfs/dbraw/zinc/95/37/75/525953775.db2.gz CKELRMKFWHBQBS-MZNJEOGPSA-N 0 0 441.572 3.908 50 0 IHAARN Cc1c2ccc(Br)cc2oc1C(=O)N1CCN(CCc2ccncc2)CC1 ZINC000020896990 525964250 /nfs/dbraw/zinc/96/42/50/525964250.db2.gz PODKEYYNPVLWJL-UHFFFAOYSA-N 0 0 428.330 3.899 50 0 IHAARN Cc1c2ccc(Br)cc2oc1C(=O)N1CCN(CCc2ccccn2)CC1 ZINC000021658769 525964537 /nfs/dbraw/zinc/96/45/37/525964537.db2.gz CGRJXRZJMRRTBZ-UHFFFAOYSA-N 0 0 428.330 3.899 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012408567 525966567 /nfs/dbraw/zinc/96/65/67/525966567.db2.gz GUTKCWVEWANXSH-UHFFFAOYSA-N 0 0 441.911 3.903 50 0 IHAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000012650245 525986604 /nfs/dbraw/zinc/98/66/04/525986604.db2.gz DHDCPTVTHVZIKB-UHFFFAOYSA-N 0 0 439.360 3.838 50 0 IHAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1cccc(Cl)c1 ZINC000012517418 525988757 /nfs/dbraw/zinc/98/87/57/525988757.db2.gz PVEZODUFAGQCSC-ZDUSSCGKSA-N 0 0 425.963 3.639 50 0 IHAARN Cc1c[nH]c(CN(C)C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n1 ZINC000012197713 526000871 /nfs/dbraw/zinc/00/08/71/526000871.db2.gz MAOKRDBDFZFFCH-UHFFFAOYSA-N 0 0 430.556 3.539 50 0 IHAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cc(F)ccc1F ZINC000021603413 526002102 /nfs/dbraw/zinc/00/21/02/526002102.db2.gz MTDQSJDMOVHKFI-LLVKDONJSA-N 0 0 427.436 3.919 50 0 IHAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000012801548 526008621 /nfs/dbraw/zinc/00/86/21/526008621.db2.gz CGTYOWHMUUJKBT-JTQLQIEISA-N 0 0 431.518 3.699 50 0 IHAARN C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 ZINC000012553687 526013303 /nfs/dbraw/zinc/01/33/03/526013303.db2.gz HXJMBAYIZLDWQX-KRWDZBQOSA-N 0 0 425.558 3.643 50 0 IHAARN C[C@@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NC[C@H]1CCCO1 ZINC000021727016 526014809 /nfs/dbraw/zinc/01/48/09/526014809.db2.gz ANMOACWKOCKPHO-NVXWUHKLSA-N 0 0 433.537 3.720 50 0 IHAARN COc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)C3CC3)C(C)C)n2CC(C)C)c1 ZINC000036030223 526065073 /nfs/dbraw/zinc/06/50/73/526065073.db2.gz NDYLSIMLZBSUSC-UHFFFAOYSA-N 0 0 447.601 3.669 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)c2C)no1 ZINC000012854312 526070220 /nfs/dbraw/zinc/07/02/20/526070220.db2.gz GHOPOUQYQARHOT-VWLOTQADSA-N 0 0 446.507 3.747 50 0 IHAARN Cc1cnc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000253388028 526086726 /nfs/dbraw/zinc/08/67/26/526086726.db2.gz ZRIPNNJMPJMASP-HDJSIYSDSA-N 0 0 427.979 3.828 50 0 IHAARN CSc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000012999530 526110750 /nfs/dbraw/zinc/11/07/50/526110750.db2.gz GBXOQLSOBIOCOS-UHFFFAOYSA-N 0 0 436.463 3.720 50 0 IHAARN CSc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c1 ZINC000020987115 526114225 /nfs/dbraw/zinc/11/42/25/526114225.db2.gz URZDESGVYMEXLP-UHFFFAOYSA-N 0 0 441.513 3.676 50 0 IHAARN CSc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 ZINC000012415851 526117003 /nfs/dbraw/zinc/11/70/03/526117003.db2.gz OWWIEEDEZHTHOU-UHFFFAOYSA-N 0 0 442.562 3.659 50 0 IHAARN C[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1)n1cncn1 ZINC000024584481 526143502 /nfs/dbraw/zinc/14/35/02/526143502.db2.gz PWUYFBQIJIUVGD-AZWQULSGSA-N 0 0 440.301 3.892 50 0 IHAARN Cc1ccc2c(c1)CCN1C(=O)CN(C(=S)Nc3ccc(Br)cc3)C[C@H]21 ZINC000022647818 526150832 /nfs/dbraw/zinc/15/08/32/526150832.db2.gz DYTXDFWYQNALAQ-GOSISDBHSA-N 0 0 430.371 3.896 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(C(=O)N[C@@H](C)c4ccccc4)cs3)CC2)c1 ZINC000034685451 526154254 /nfs/dbraw/zinc/15/42/54/526154254.db2.gz MKIKLXYFXKDREO-SFHVURJKSA-N 0 0 436.581 3.965 50 0 IHAARN Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1F ZINC000032932297 526166900 /nfs/dbraw/zinc/16/69/00/526166900.db2.gz PVUDUQCCCKJPQW-KRWDZBQOSA-N 0 0 440.544 3.506 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000012785388 526169009 /nfs/dbraw/zinc/16/90/09/526169009.db2.gz YJMQBLACLMYQPX-GFCCVEGCSA-N 0 0 439.741 3.703 50 0 IHAARN COc1cccc(NC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)c1 ZINC000032999199 526171148 /nfs/dbraw/zinc/17/11/48/526171148.db2.gz SHNIDIFONWNOBJ-UHFFFAOYSA-N 0 0 434.471 3.981 50 0 IHAARN COc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)c1 ZINC000021657121 526179736 /nfs/dbraw/zinc/17/97/36/526179736.db2.gz RISCOEUZGCMAGD-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN COc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000016840351 526181525 /nfs/dbraw/zinc/18/15/25/526181525.db2.gz UNEONNPISRHXQW-UHFFFAOYSA-N 0 0 448.454 3.969 50 0 IHAARN CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(=O)[nH]1 ZINC000012751825 526213417 /nfs/dbraw/zinc/21/34/17/526213417.db2.gz DOQFFJTXEMTGMJ-UHFFFAOYSA-N 0 0 428.539 3.698 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000008862347 526216818 /nfs/dbraw/zinc/21/68/18/526216818.db2.gz ZGWPPENXRJIVPE-HNNXBMFYSA-N 0 0 444.516 3.889 50 0 IHAARN COc1cccc(OCCOc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)c1 ZINC000022184951 526234024 /nfs/dbraw/zinc/23/40/24/526234024.db2.gz BWVLYKQGIYXBHV-HAHDFKILSA-N 0 0 444.512 3.923 50 0 IHAARN COc1cccc(S(=O)(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000034814539 526243291 /nfs/dbraw/zinc/24/32/91/526243291.db2.gz OQEYLKDQLIXXQA-UHFFFAOYSA-N 0 0 449.532 3.886 50 0 IHAARN Cc1ccc(C(C)C)cc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012552602 526249317 /nfs/dbraw/zinc/24/93/17/526249317.db2.gz PAHKSGYCCHNWTM-GOSISDBHSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N[C@H](C(=O)NCc3ccc4c(c3)OCO4)C(C)C)no2)c1 ZINC000036016238 526255573 /nfs/dbraw/zinc/25/55/73/526255573.db2.gz CWHOXTCXRFHNTA-QHCPKHFHSA-N 0 0 449.507 3.758 50 0 IHAARN O=C(NCCCSc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000018083487 526269020 /nfs/dbraw/zinc/26/90/20/526269020.db2.gz YSFFPIAOUPNLNW-QGZVFWFLSA-N 0 0 436.574 3.525 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cnn2cc(Br)cnc12 ZINC000012846047 526291267 /nfs/dbraw/zinc/29/12/67/526291267.db2.gz GFDKDNLHYKUBMR-UHFFFAOYSA-N 0 0 443.280 3.745 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000033648427 526294832 /nfs/dbraw/zinc/29/48/32/526294832.db2.gz SGCVUKCLXNYXHX-VAWYXSNFSA-N 0 0 435.867 3.703 50 0 IHAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ncnc4c3cnn4C)c12 ZINC000036616549 526296570 /nfs/dbraw/zinc/29/65/70/526296570.db2.gz APNNRTFKQAFMSR-UHFFFAOYSA-N 0 0 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527272405 /nfs/dbraw/zinc/27/24/05/527272405.db2.gz NBRILHLUTVGMLK-HNNXBMFYSA-N 0 0 433.917 3.870 50 0 IHAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000012752293 527282944 /nfs/dbraw/zinc/28/29/44/527282944.db2.gz SXDJFONDFHXPCQ-INIZCTEOSA-N 0 0 426.375 3.807 50 0 IHAARN O=S(=O)(c1ccccc1)N(C[C@H](O)COc1ccccc1)c1nc2ccccc2s1 ZINC000024829600 527287493 /nfs/dbraw/zinc/28/74/93/527287493.db2.gz KBZVIPDOZFFCDH-KRWDZBQOSA-N 0 0 440.546 3.932 50 0 IHAARN O=S(=O)(c1ccccc1F)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000015162873 527290264 /nfs/dbraw/zinc/29/02/64/527290264.db2.gz RMQGSBCMUOVMQW-UHFFFAOYSA-N 0 0 448.523 3.947 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012677711 527406922 /nfs/dbraw/zinc/40/69/22/527406922.db2.gz LRKKHCOMUJLTRP-UHFFFAOYSA-N 0 0 444.516 3.891 50 0 IHAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000012627394 527427472 /nfs/dbraw/zinc/42/74/72/527427472.db2.gz MMBYWSURJPKVTG-UHFFFAOYSA-N 0 0 431.233 3.508 50 0 IHAARN O=c1nc(CN2CCN(c3ccccc3O)CC2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000012647761 527438270 /nfs/dbraw/zinc/43/82/70/527438270.db2.gz BZSNZAKOZALAAT-UHFFFAOYSA-N 0 0 436.512 3.819 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1 ZINC000021601019 527453738 /nfs/dbraw/zinc/45/37/38/527453738.db2.gz HDHSCMKRZHAYEY-QRWLVFNGSA-N 0 0 443.334 3.986 50 0 IHAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000012912360 527508738 /nfs/dbraw/zinc/50/87/38/527508738.db2.gz DKZUMTGFLNZUDH-UHFFFAOYSA-N 0 0 425.485 3.598 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012907159 527528132 /nfs/dbraw/zinc/52/81/32/527528132.db2.gz FHGGARXPRNLPFO-UHFFFAOYSA-N 0 0 435.431 3.817 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)Nc1ccc(F)cc1Cl)c(=O)n2C ZINC000021040546 527554540 /nfs/dbraw/zinc/55/45/40/527554540.db2.gz WXWQOTAWZOWHGW-UHFFFAOYSA-N 0 0 439.878 3.791 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(NCCNC(=O)c3ccccc3F)c12 ZINC000036027664 527555364 /nfs/dbraw/zinc/55/53/64/527555364.db2.gz ZKKJLDRGWAVIGL-UHFFFAOYSA-N 0 0 430.487 3.982 50 0 IHAARN Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000035597882 527556254 /nfs/dbraw/zinc/55/62/54/527556254.db2.gz LRCOPOORNBDOCM-AWEZNQCLSA-N 0 0 428.876 3.937 50 0 IHAARN Cn1nc([C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n(-c2ccccc2)c1=O ZINC000077100561 527557419 /nfs/dbraw/zinc/55/74/19/527557419.db2.gz MFPBYSMDWQTQFJ-OAHLLOKOSA-N 0 0 430.430 3.610 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000015670402 527574653 /nfs/dbraw/zinc/57/46/53/527574653.db2.gz OIYMKYZZWYUCKB-KRWDZBQOSA-N 0 0 432.871 3.866 50 0 IHAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(C(=O)c1ccsc1)CC2 ZINC000012135670 527584603 /nfs/dbraw/zinc/58/46/03/527584603.db2.gz COLCGRGGBAUROY-OAQYLSRUSA-N 0 0 438.593 3.855 50 0 IHAARN O=C(C=Cc1c[nH]cn1)N1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000012151305 527601300 /nfs/dbraw/zinc/60/13/00/527601300.db2.gz CXQKTCXPUBPLQF-UVIRAJKCSA-N 0 0 432.568 3.680 50 0 IHAARN CC1CCN(c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2)CC1 ZINC000009746178 535286358 /nfs/dbraw/zinc/28/63/58/535286358.db2.gz QOVMWVSWEBYCTI-UHFFFAOYSA-N 0 0 447.626 3.950 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c2cccnc12 ZINC000004192472 535391104 /nfs/dbraw/zinc/39/11/04/535391104.db2.gz STSSDRZLSYJLBM-UHFFFAOYSA-N 0 0 425.554 3.761 50 0 IHAARN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000013566139 536191347 /nfs/dbraw/zinc/19/13/47/536191347.db2.gz ZSRWZOXLILBYNT-UHFFFAOYSA-N 0 0 433.508 3.822 50 0 IHAARN C[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000010762236 536424240 /nfs/dbraw/zinc/42/42/40/536424240.db2.gz IHEYEPCAENKEAO-UHFFFAOYSA-N 0 0 433.883 3.911 50 0 IHAARN COCCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000003007794 536586426 /nfs/dbraw/zinc/58/64/26/536586426.db2.gz OAEKFCNYSZASCE-UHFFFAOYSA-N 0 0 445.585 3.552 50 0 IHAARN COc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002639273 536780962 /nfs/dbraw/zinc/78/09/62/536780962.db2.gz UDFJJIGTXHHJIO-HXUWFJFHSA-N 0 0 443.521 3.505 50 0 IHAARN COc1ccc(-c2ccc3nnc(SCC(=O)N4CCCc5ccccc54)n3n2)cc1 ZINC000009829054 536896594 /nfs/dbraw/zinc/89/65/94/536896594.db2.gz QPASDSPISFPGDS-UHFFFAOYSA-N 0 0 431.521 3.871 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000010542022 536969869 /nfs/dbraw/zinc/96/98/69/536969869.db2.gz KIZAVLMJYURMFY-QZTJIDSGSA-N 0 0 442.581 3.955 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000000630530 555514657 /nfs/dbraw/zinc/51/46/57/555514657.db2.gz LMPNELRMMCMDBF-UHFFFAOYSA-N 0 0 445.426 3.858 50 0 IHAARN CCOC(=O)c1cnn(-c2cc(Oc3ccc(NC(C)=O)cc3)nc(SC)n2)c1C ZINC000000632610 555515496 /nfs/dbraw/zinc/51/54/96/555515496.db2.gz SEQMVNMNISDDKG-UHFFFAOYSA-N 0 0 427.486 3.620 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000000636176 555516648 /nfs/dbraw/zinc/51/66/48/555516648.db2.gz LFNHDAZQNPDACV-UHFFFAOYSA-N 0 0 445.504 3.893 50 0 IHAARN O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1ccc(F)cc1 ZINC000000639861 555518015 /nfs/dbraw/zinc/51/80/15/555518015.db2.gz WSEOCUMPKCHWKP-UHFFFAOYSA-N 0 0 440.066 3.944 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000000645253 555520085 /nfs/dbraw/zinc/52/00/85/555520085.db2.gz NPOLFXSFFZZTBB-UHFFFAOYSA-N 0 0 430.526 3.680 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 ZINC000000647759 555521686 /nfs/dbraw/zinc/52/16/86/555521686.db2.gz SPZSZIHFJCBOKB-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COc1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000652968 555523472 /nfs/dbraw/zinc/52/34/72/555523472.db2.gz ZIHGRCYKYVSERC-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000000665152 555528006 /nfs/dbraw/zinc/52/80/06/555528006.db2.gz QASYVEKVUDEFJH-MRXNPFEDSA-N 0 0 428.485 3.883 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1 ZINC000000670787 555530964 /nfs/dbraw/zinc/53/09/64/555530964.db2.gz JKDBHIGVCPTPML-UHFFFAOYSA-N 0 0 425.222 3.729 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)o1 ZINC000000672620 555531984 /nfs/dbraw/zinc/53/19/84/555531984.db2.gz ORBGYVKKSPSPGR-UHFFFAOYSA-N 0 0 427.320 3.859 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2)cc1 ZINC000000673731 555532609 /nfs/dbraw/zinc/53/26/09/555532609.db2.gz HWTPRAGVLAEHCE-UHFFFAOYSA-N 0 0 432.520 3.649 50 0 IHAARN CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 ZINC000000675545 555534379 /nfs/dbraw/zinc/53/43/79/555534379.db2.gz ZGXVAIQZJFNNRB-UHFFFAOYSA-N 0 0 438.290 3.929 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000000676653 555534887 /nfs/dbraw/zinc/53/48/87/555534887.db2.gz DFUQQCFKHRGODC-UHFFFAOYSA-N 0 0 440.521 3.533 50 0 IHAARN COc1cc(/C=c2\sc3nc4c(cccc4C)n3c2=O)cc(Br)c1OC ZINC000000680566 555537499 /nfs/dbraw/zinc/53/74/99/555537499.db2.gz DBNNENNAUXOZGR-DHDCSXOGSA-N 0 0 431.311 3.545 50 0 IHAARN COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1 ZINC000000694521 555542623 /nfs/dbraw/zinc/54/26/23/555542623.db2.gz QLWPZZSDNGQLHY-UHFFFAOYSA-N 0 0 425.492 3.663 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000000712642 555547740 /nfs/dbraw/zinc/54/77/40/555547740.db2.gz DASXGRFLWVXOHQ-XDJZYPBNSA-N 0 0 443.474 3.995 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000000712644 555547751 /nfs/dbraw/zinc/54/77/51/555547751.db2.gz DASXGRFLWVXOHQ-KWMZMRFFSA-N 0 0 443.474 3.995 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000729165 555552218 /nfs/dbraw/zinc/55/22/18/555552218.db2.gz HATDRLMQIGREGQ-SFHVURJKSA-N 0 0 431.876 3.632 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000000780518 555554970 /nfs/dbraw/zinc/55/49/70/555554970.db2.gz PLWPJIDZULZLPW-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000000783861 555555578 /nfs/dbraw/zinc/55/55/78/555555578.db2.gz FCZQDQGDSMGMPO-UHFFFAOYSA-N 0 0 432.904 3.857 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000803343 555559600 /nfs/dbraw/zinc/55/96/00/555559600.db2.gz MTZHITQQGUZEOH-UHFFFAOYSA-N 0 0 431.901 3.578 50 0 IHAARN COc1cccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000000821222 555563912 /nfs/dbraw/zinc/56/39/12/555563912.db2.gz OUIFPXBHKPHCSY-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000824533 555564739 /nfs/dbraw/zinc/56/47/39/555564739.db2.gz TZEAAHPGQXUFFO-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1cc(I)ccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000000831401 555566454 /nfs/dbraw/zinc/56/64/54/555566454.db2.gz VAANKQNGDLYEQG-CQSZACIVSA-N 0 0 430.286 3.938 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(OC)c1OC ZINC000000844299 555568755 /nfs/dbraw/zinc/56/87/55/555568755.db2.gz JQRFHABILXMAGX-FQEVSTJZSA-N 0 0 432.517 3.996 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Br)c1O ZINC000000844384 555568776 /nfs/dbraw/zinc/56/87/76/555568776.db2.gz BAOKMQXGGXJCFB-ZUZCIYMTSA-N 0 0 441.322 3.769 50 0 IHAARN CCOC(=O)c1cnn2c1nc(-c1cc(OC)c(OC)c(OC)c1)cc2C(F)(F)F ZINC000000862889 555572955 /nfs/dbraw/zinc/57/29/55/555572955.db2.gz PSEBPRMKRMKYPH-UHFFFAOYSA-N 0 0 425.363 3.618 50 0 IHAARN COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000000864524 555573282 /nfs/dbraw/zinc/57/32/82/555573282.db2.gz MEANQVUBEIWDGE-GOSISDBHSA-N 0 0 429.947 3.802 50 0 IHAARN COc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c1 ZINC000000887742 555579224 /nfs/dbraw/zinc/57/92/24/555579224.db2.gz YTIPWSKCPFQZJZ-UHFFFAOYSA-N 0 0 425.466 3.676 50 0 IHAARN COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 ZINC000000953845 555589798 /nfs/dbraw/zinc/58/97/98/555589798.db2.gz MZSLRPXIMDFKEV-RIYZIHGNSA-N 0 0 438.505 3.574 50 0 IHAARN COc1cccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000000972666 555591856 /nfs/dbraw/zinc/59/18/56/555591856.db2.gz ZPEBUJQVHIZADH-UHFFFAOYSA-N 0 0 438.549 3.690 50 0 IHAARN Cc1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1C ZINC000000979725 555593086 /nfs/dbraw/zinc/59/30/86/555593086.db2.gz CMSIYMVWFALTSB-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1 ZINC000000989848 555595659 /nfs/dbraw/zinc/59/56/59/555595659.db2.gz SMJXKPCAOZEQJE-INIZCTEOSA-N 0 0 425.076 3.624 50 0 IHAARN O=C(Nc1ccccc1O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000990272 555595941 /nfs/dbraw/zinc/59/59/41/555595941.db2.gz AKWHAXZSGHUJBX-UHFFFAOYSA-N 0 0 439.331 3.582 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1C ZINC000000993297 555597692 /nfs/dbraw/zinc/59/76/92/555597692.db2.gz CJTGYNCQZKCFCM-HXUWFJFHSA-N 0 0 437.492 3.648 50 0 IHAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000997869 555599329 /nfs/dbraw/zinc/59/93/29/555599329.db2.gz WFCIJJYAFCPOLZ-UHFFFAOYSA-N 0 0 426.281 3.857 50 0 IHAARN O=C(c1cccs1)c1nn(-c2ccccc2)c2nc(=O)c(Cc3ccc(Cl)cc3)nn12 ZINC000001035573 555608138 /nfs/dbraw/zinc/60/81/38/555608138.db2.gz KCUAERGEANPKLB-UHFFFAOYSA-N 0 0 447.907 3.812 50 0 IHAARN Cn1c(=O)cc(Nc2ccccc2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 ZINC000001042006 555610054 /nfs/dbraw/zinc/61/00/54/555610054.db2.gz UWHPGBMOMNSDQL-UHFFFAOYSA-N 0 0 436.471 3.584 50 0 IHAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)sc1-c1ccccc1 ZINC000001056077 555614568 /nfs/dbraw/zinc/61/45/68/555614568.db2.gz UBQVHPSJXLMIPM-UHFFFAOYSA-N 0 0 432.592 3.932 50 0 IHAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000001062650 555616999 /nfs/dbraw/zinc/61/69/99/555616999.db2.gz BIJZSHVKXMEUPR-UHFFFAOYSA-N 0 0 432.480 3.550 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000001073882 555622924 /nfs/dbraw/zinc/62/29/24/555622924.db2.gz QGHYISYCZNANMY-UHFFFAOYSA-N 0 0 437.546 3.583 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)cc1 ZINC000001075041 555623576 /nfs/dbraw/zinc/62/35/76/555623576.db2.gz ZZSOSDOFQYMDSW-UHFFFAOYSA-N 0 0 433.489 3.766 50 0 IHAARN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000001076965 555624595 /nfs/dbraw/zinc/62/45/95/555624595.db2.gz NANIRSWEMUQQJL-UHFFFAOYSA-N 0 0 433.331 3.887 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001077870 555625044 /nfs/dbraw/zinc/62/50/44/555625044.db2.gz NNQIZSYISBTDJN-NSHDSACASA-N 0 0 431.739 3.896 50 0 IHAARN COc1ccc(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)c(OC)c1 ZINC000001077412 555625047 /nfs/dbraw/zinc/62/50/47/555625047.db2.gz UUONDLGPUSANBE-UHFFFAOYSA-N 0 0 434.242 3.834 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1O ZINC000001110249 555631113 /nfs/dbraw/zinc/63/11/13/555631113.db2.gz CDHGSBFWOGVDBV-KRWDZBQOSA-N 0 0 446.301 3.738 50 0 IHAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3cccc(OC)c3)cc2oc1=O ZINC000001111781 555631933 /nfs/dbraw/zinc/63/19/33/555631933.db2.gz JTQHPGXKKUHNDV-UHFFFAOYSA-N 0 0 430.840 3.741 50 0 IHAARN Cc1cc(Cl)c(S(=O)(=O)NCc2ccco2)cc1OCC(=O)NC1CCCCC1 ZINC000001116891 555634918 /nfs/dbraw/zinc/63/49/18/555634918.db2.gz KKMXJJNQXXDMQV-UHFFFAOYSA-N 0 0 440.949 3.548 50 0 IHAARN COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1 ZINC000001122414 555638468 /nfs/dbraw/zinc/63/84/68/555638468.db2.gz YAMLYJAGKILQND-UHFFFAOYSA-N 0 0 425.456 3.590 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC(=O)COc3ccccc3)s2)cc1 ZINC000001128748 555643023 /nfs/dbraw/zinc/64/30/23/555643023.db2.gz LHYNBHXMVYSWBV-CQSZACIVSA-N 0 0 428.539 3.983 50 0 IHAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000001130754 555644206 /nfs/dbraw/zinc/64/42/06/555644206.db2.gz OJVSXGRVDARTFE-YVLHZVERSA-N 0 0 448.903 3.631 50 0 IHAARN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000001130402 555644291 /nfs/dbraw/zinc/64/42/91/555644291.db2.gz KLOWGJUOSSLCKR-UHFFFAOYSA-N 0 0 439.375 3.955 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000001134987 555646573 /nfs/dbraw/zinc/64/65/73/555646573.db2.gz CPGFMGRORFHTGJ-NRFANRHFSA-N 0 0 432.432 3.504 50 0 IHAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000001150027 555655909 /nfs/dbraw/zinc/65/59/09/555655909.db2.gz FGVPHMZJLUUAKZ-SANMLTNESA-N 0 0 429.472 3.774 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C2CCCCC2)cc1 ZINC000001162453 555662713 /nfs/dbraw/zinc/66/27/13/555662713.db2.gz CVHHPGRJZGLBIA-UHFFFAOYSA-N 0 0 444.553 3.728 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Br)c(OC)c1 ZINC000001162351 555662768 /nfs/dbraw/zinc/66/27/68/555662768.db2.gz LLJJFFZENNXCIK-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc(Br)c1O ZINC000001170939 555666424 /nfs/dbraw/zinc/66/64/24/555666424.db2.gz ONBLJPMYJKPZAU-RFAUZJTJSA-N 0 0 427.295 3.523 50 0 IHAARN CCc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000001174251 555668645 /nfs/dbraw/zinc/66/86/45/555668645.db2.gz FJCFTQGXDCGBKR-UHFFFAOYSA-N 0 0 425.348 3.725 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000001174682 555669001 /nfs/dbraw/zinc/66/90/01/555669001.db2.gz QVGZJHOWGDSPEI-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN CCOc1ccccc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000001174527 555668928 /nfs/dbraw/zinc/66/89/28/555668928.db2.gz XJXABNFITOSJFC-UHFFFAOYSA-N 0 0 430.570 3.992 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(I)c1OC ZINC000001193097 555676149 /nfs/dbraw/zinc/67/61/49/555676149.db2.gz ABNSAGCXNCQTNE-ZROIWOOFSA-N 0 0 435.217 3.653 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001203702 555679658 /nfs/dbraw/zinc/67/96/58/555679658.db2.gz BHAVBVIIHSSYHG-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001206815 555680910 /nfs/dbraw/zinc/68/09/10/555680910.db2.gz YECINMIAAUBKJF-UHFFFAOYSA-N 0 0 438.505 3.692 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1)C(F)(F)F ZINC000001216817 555684266 /nfs/dbraw/zinc/68/42/66/555684266.db2.gz DBEYMJINXRRQOT-UHFFFAOYSA-N 0 0 440.321 3.521 50 0 IHAARN CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(S)n32)CO1 ZINC000001307910 555689713 /nfs/dbraw/zinc/68/97/13/555689713.db2.gz OJTKRIKYQUJWRV-HNNXBMFYSA-N 0 0 426.567 3.734 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000002052477 555729595 /nfs/dbraw/zinc/72/95/95/555729595.db2.gz WOLWJNWPRCCOSJ-UHFFFAOYSA-N 0 0 431.583 3.525 50 0 IHAARN COc1ccc(CC(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000002136907 555747355 /nfs/dbraw/zinc/74/73/55/555747355.db2.gz AFTNPCODAXHIAN-UHFFFAOYSA-N 0 0 425.554 3.813 50 0 IHAARN COc1cc(C(=O)Oc2cc3c4c(c2)[C@@H](C)CC(C)(C)N4C(=O)C3=O)cc(OC)c1OC ZINC000002153981 555750020 /nfs/dbraw/zinc/75/00/20/555750020.db2.gz IQYQGIUXFHKJQN-LBPRGKRZSA-N 0 0 439.464 3.747 50 0 biogenic IHAARN Cc1cc(C)c2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2c1 ZINC000002239560 555761150 /nfs/dbraw/zinc/76/11/50/555761150.db2.gz LITSDBFGXQJPOE-UHFFFAOYSA-N 0 0 428.491 3.675 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CCC4)cc1 ZINC000002249901 555762318 /nfs/dbraw/zinc/76/23/18/555762318.db2.gz PLKGQACHSRMYDT-UHFFFAOYSA-N 0 0 428.539 3.670 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002374351 555773624 /nfs/dbraw/zinc/77/36/24/555773624.db2.gz ZWVQZNRXYWNFSL-AWEZNQCLSA-N 0 0 431.496 3.861 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000002381401 555774384 /nfs/dbraw/zinc/77/43/84/555774384.db2.gz VXWHOZJPTAJJBJ-UHFFFAOYSA-N 0 0 437.481 3.869 50 0 IHAARN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1cc2ccccc2oc1=O ZINC000002463859 555783248 /nfs/dbraw/zinc/78/32/48/555783248.db2.gz CMNAYBYWSOAUEH-AREMUKBSSA-N 0 0 425.440 3.800 50 0 IHAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCCn1ccnc1 ZINC000002489014 555783856 /nfs/dbraw/zinc/78/38/56/555783856.db2.gz QFMVUSKUVXIFMF-UHFFFAOYSA-N 0 0 427.477 3.719 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034667552 555791806 /nfs/dbraw/zinc/79/18/06/555791806.db2.gz FHVVRCBFSQJQGA-UHFFFAOYSA-N 0 0 428.464 3.636 50 0 IHAARN Cc1cccc(CNC(=O)c2coc(CN3CCN(Cc4cccc(Cl)c4)CC3)n2)c1 ZINC000034678322 555797140 /nfs/dbraw/zinc/79/71/40/555797140.db2.gz CPRGTIPLMUSNGC-UHFFFAOYSA-N 0 0 438.959 3.884 50 0 IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=S ZINC000002730081 555803797 /nfs/dbraw/zinc/80/37/97/555803797.db2.gz AJIROMGQGCWMQY-GOSISDBHSA-N 0 0 431.945 3.695 50 0 IHAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692069 555805117 /nfs/dbraw/zinc/80/51/17/555805117.db2.gz LGBBRZCHVARBDG-NRFANRHFSA-N 0 0 445.535 3.915 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccccc2)c(=O)n1CCc1ccccc1 ZINC000034692860 555805333 /nfs/dbraw/zinc/80/53/33/555805333.db2.gz BAIIOJBZQZUKPR-UHFFFAOYSA-N 0 0 440.478 3.779 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)cc2)n(-c2ccc(F)cc2)c(=O)n1Cc1ccccc1 ZINC000034693072 555805875 /nfs/dbraw/zinc/80/58/75/555805875.db2.gz IIKZCVYJENXKAS-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN Cc1ccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000034693494 555807723 /nfs/dbraw/zinc/80/77/23/555807723.db2.gz WJKSFQJRMSGJPB-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000002759899 555812107 /nfs/dbraw/zinc/81/21/07/555812107.db2.gz PUXDCTHJHMWUQB-UHFFFAOYSA-N 0 0 439.249 3.828 50 0 IHAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc4c(c3)oc(=O)cc4C(F)(F)F)nc2n1 ZINC000002770246 555815331 /nfs/dbraw/zinc/81/53/31/555815331.db2.gz NXUSKIPWOYJPSL-UHFFFAOYSA-N 0 0 439.300 3.748 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cc(Cl)ccc1Cl ZINC000002815313 555828402 /nfs/dbraw/zinc/82/84/02/555828402.db2.gz LAYXEICFDYYBET-UHFFFAOYSA-N 0 0 433.382 3.668 50 0 IHAARN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000002828564 555831646 /nfs/dbraw/zinc/83/16/46/555831646.db2.gz HPSUJRXRYLIFMQ-UHFFFAOYSA-N 0 0 444.582 3.824 50 0 IHAARN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)NCc3ccc4c(c3)OCO4)c21 ZINC000002838138 555834114 /nfs/dbraw/zinc/83/41/14/555834114.db2.gz JLGBLLRHWGBZGO-UHFFFAOYSA-N 0 0 432.398 3.994 50 0 IHAARN COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000002838463 555834403 /nfs/dbraw/zinc/83/44/03/555834403.db2.gz BKPGPBDSPNINLR-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN O=C(Nc1ccc(I)cc1C(=O)N1CCCCCC1)c1cccnc1 ZINC000002841568 555835854 /nfs/dbraw/zinc/83/58/54/555835854.db2.gz CHUDESMKDLNNDB-UHFFFAOYSA-N 0 0 449.292 3.955 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Br)c(C)c1 ZINC000002846271 555837721 /nfs/dbraw/zinc/83/77/21/555837721.db2.gz IMIMMJHRZDOTDT-UHFFFAOYSA-N 0 0 438.274 3.579 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002851158 555839242 /nfs/dbraw/zinc/83/92/42/555839242.db2.gz ZBBNRZFJIUBPDI-LLVKDONJSA-N 0 0 431.739 3.716 50 0 IHAARN COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002851480 555839633 /nfs/dbraw/zinc/83/96/33/555839633.db2.gz RQXXZWXBQKMNEL-KRWDZBQOSA-N 0 0 432.245 3.886 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 ZINC000002868935 555848734 /nfs/dbraw/zinc/84/87/34/555848734.db2.gz GNLQRCUOKQNLHS-UHFFFAOYSA-N 0 0 443.481 3.661 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 ZINC000002875182 555851821 /nfs/dbraw/zinc/85/18/21/555851821.db2.gz MFXRNURAAFTLHU-UHFFFAOYSA-N 0 0 430.921 3.705 50 0 IHAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 ZINC000002876587 555852631 /nfs/dbraw/zinc/85/26/31/555852631.db2.gz JQFAHAOAUZBRQG-CYBMUJFWSA-N 0 0 443.338 3.998 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1OC ZINC000002884404 555857255 /nfs/dbraw/zinc/85/72/55/555857255.db2.gz KVADXJJRIKWCFF-UHFFFAOYSA-N 0 0 444.484 3.920 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002953322 555866445 /nfs/dbraw/zinc/86/64/45/555866445.db2.gz RVGSGDGUZIAQHD-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000002979266 555871121 /nfs/dbraw/zinc/87/11/21/555871121.db2.gz NRNBODJSUGUEQH-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 ZINC000002981959 555872535 /nfs/dbraw/zinc/87/25/35/555872535.db2.gz BHAGOJLSFGCRDQ-UHFFFAOYSA-N 0 0 432.586 3.996 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002998175 555876645 /nfs/dbraw/zinc/87/66/45/555876645.db2.gz HNGBPIMDOCRRNJ-UHFFFAOYSA-N 0 0 427.353 3.711 50 0 IHAARN O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002998403 555876929 /nfs/dbraw/zinc/87/69/29/555876929.db2.gz SCTXXCRBAWMETD-UHFFFAOYSA-N 0 0 441.322 3.628 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC000003005236 555878426 /nfs/dbraw/zinc/87/84/26/555878426.db2.gz SNDUPGPXDNUXKD-UHFFFAOYSA-N 0 0 440.540 3.684 50 0 IHAARN Cc1cc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)ccc1Br ZINC000003017032 555880963 /nfs/dbraw/zinc/88/09/63/555880963.db2.gz YJOHMYQLWUMWPN-UHFFFAOYSA-N 0 0 429.380 3.530 50 0 IHAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003120090 555889124 /nfs/dbraw/zinc/88/91/24/555889124.db2.gz NWAABOGWTQEMJJ-UHFFFAOYSA-N 0 0 431.296 3.896 50 0 IHAARN Fc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1cccs1)CC2 ZINC000034755701 555900737 /nfs/dbraw/zinc/90/07/37/555900737.db2.gz ZELSPZUSTPDCFS-UHFFFAOYSA-N 0 0 426.517 3.864 50 0 IHAARN COCC(=O)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccc(OC)cc32)CC1 ZINC000034813269 555910028 /nfs/dbraw/zinc/91/00/28/555910028.db2.gz NKALEASLANYYLZ-UHFFFAOYSA-N 0 0 449.429 3.689 50 0 IHAARN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCc3ccncc3)ccc12 ZINC000034836006 555914263 /nfs/dbraw/zinc/91/42/63/555914263.db2.gz NXDRNTGSRKFLPE-UHFFFAOYSA-N 0 0 431.467 3.588 50 0 IHAARN Cc1c(N2C(=S)N=NC2c2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000003308234 555917739 /nfs/dbraw/zinc/91/77/39/555917739.db2.gz WGEWNEAJQFTEID-UHFFFAOYSA-N 0 0 442.342 3.783 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1 ZINC000034904739 555919290 /nfs/dbraw/zinc/91/92/90/555919290.db2.gz AJNBUHPCVBORRF-UHFFFAOYSA-N 0 0 445.292 3.596 50 0 IHAARN CCNC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034906213 555920372 /nfs/dbraw/zinc/92/03/72/555920372.db2.gz OIQUFDSNXKTGEE-ZWKOTPCHSA-N 0 0 430.574 3.699 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(C)cc3)CC2)cc1 ZINC000034909256 555922991 /nfs/dbraw/zinc/92/29/91/555922991.db2.gz MXNHWQANTDMCDV-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3cccnc3)n1N)oc1ccccc12 ZINC000003384754 555929908 /nfs/dbraw/zinc/92/99/08/555929908.db2.gz FKHQWAIFHNSCQY-UHFFFAOYSA-N 0 0 446.492 3.693 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c(OC)c1 ZINC000004017098 555952814 /nfs/dbraw/zinc/95/28/14/555952814.db2.gz LZTSGXQCEUKPEY-HXUWFJFHSA-N 0 0 428.510 3.667 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000004011336 555952865 /nfs/dbraw/zinc/95/28/65/555952865.db2.gz MIRIQQBJBUKFJZ-DEYZUUILSA-N 0 0 448.519 3.603 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)Nc3ccncc3)c(C)cc2C)cc1 ZINC000004149973 555968694 /nfs/dbraw/zinc/96/86/94/555968694.db2.gz JUXUSTVASYATQN-UHFFFAOYSA-N 0 0 445.566 3.633 50 0 IHAARN CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4F)NN32)cc1 ZINC000004176702 555973481 /nfs/dbraw/zinc/97/34/81/555973481.db2.gz CMINDLNKZMHIOO-IBGZPJMESA-N 0 0 439.516 3.504 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000004197231 555975691 /nfs/dbraw/zinc/97/56/91/555975691.db2.gz BWBVSPQHCUUOQO-UHFFFAOYSA-N 0 0 445.903 3.515 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000005919129 556069374 /nfs/dbraw/zinc/06/93/74/556069374.db2.gz KXGOGENTWLGAIM-JOCHJYFZSA-N 0 0 432.524 3.863 50 0 IHAARN COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241201 556082041 /nfs/dbraw/zinc/08/20/41/556082041.db2.gz RRMSPNKGBOSWLD-HNAYVOBHSA-N 0 0 447.557 3.649 50 0 IHAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000006287764 556083850 /nfs/dbraw/zinc/08/38/50/556083850.db2.gz IQRYPOSXWNBBHJ-JCMHNJIXSA-N 0 0 444.560 3.868 50 0 IHAARN Cc1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000002666963 556119873 /nfs/dbraw/zinc/11/98/73/556119873.db2.gz OUTODQSSWVJHSQ-QGZVFWFLSA-N 0 0 433.767 3.755 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1ccc(F)cc1 ZINC000002711438 556125053 /nfs/dbraw/zinc/12/50/53/556125053.db2.gz OMFDMZZZYVUDHA-UHFFFAOYSA-N 0 0 429.336 3.882 50 0 IHAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1)CCS2 ZINC000002719814 556125962 /nfs/dbraw/zinc/12/59/62/556125962.db2.gz IIINLHMPSKJVHW-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C1 ZINC000002723445 556128811 /nfs/dbraw/zinc/12/88/11/556128811.db2.gz NJKFBDFKVDHPOO-CQSZACIVSA-N 0 0 444.488 3.549 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000002717850 556131235 /nfs/dbraw/zinc/13/12/35/556131235.db2.gz PGUNQOBYSLLEET-UHFFFAOYSA-N 0 0 441.900 3.914 50 0 IHAARN CCn1ncc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c1C(N)=O ZINC000002747705 556136651 /nfs/dbraw/zinc/13/66/51/556136651.db2.gz GYGTUMMBPRLTAE-UHFFFAOYSA-N 0 0 443.301 3.596 50 0 IHAARN Cn1cc(Br)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)n1 ZINC000002754708 556137220 /nfs/dbraw/zinc/13/72/20/556137220.db2.gz ZCCNRLMVRFWDGN-SECBINFHSA-N 0 0 439.379 3.746 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CS(=O)(=O)C2 ZINC000003008473 556155023 /nfs/dbraw/zinc/15/50/23/556155023.db2.gz VUJCVWLIQMAZHP-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000008425298 556168317 /nfs/dbraw/zinc/16/83/17/556168317.db2.gz LBYRYAHQGKMPRG-FYXHJSOBSA-N 0 0 444.965 3.513 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(C)C ZINC000008440948 556176474 /nfs/dbraw/zinc/17/64/74/556176474.db2.gz KBVXSXCPHXDCBZ-JTSKRJEESA-N 0 0 439.556 3.864 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(C)C ZINC000008440949 556176800 /nfs/dbraw/zinc/17/68/00/556176800.db2.gz KBVXSXCPHXDCBZ-VGOFRKELSA-N 0 0 439.556 3.864 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)cc1 ZINC000008448104 556180400 /nfs/dbraw/zinc/18/04/00/556180400.db2.gz RJZFRVROMDYOTP-UHFFFAOYSA-N 0 0 441.480 3.797 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000008449739 556181057 /nfs/dbraw/zinc/18/10/57/556181057.db2.gz PWPNNPPIWDGXOK-XFDIAKHOSA-N 0 0 431.488 3.879 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(OC)c3)CC2=O)cc1 ZINC000008452895 556183381 /nfs/dbraw/zinc/18/33/81/556183381.db2.gz UOVNRFUIGVEMSI-ZDUSSCGKSA-N 0 0 433.302 3.848 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000008591944 556189224 /nfs/dbraw/zinc/18/92/24/556189224.db2.gz SJJCUVAAJGVXQH-FQEVSTJZSA-N 0 0 437.427 3.794 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000008591943 556189278 /nfs/dbraw/zinc/18/92/78/556189278.db2.gz SJJCUVAAJGVXQH-HXUWFJFHSA-N 0 0 437.427 3.794 50 0 IHAARN CN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000008682466 556199223 /nfs/dbraw/zinc/19/92/23/556199223.db2.gz KMEORUDTMIYUQO-UHFFFAOYSA-N 0 0 437.487 3.646 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12)c1ccccc1 ZINC000008691519 556200523 /nfs/dbraw/zinc/20/05/23/556200523.db2.gz POFLBRDUUZVHIQ-PZJWPPBQSA-N 0 0 429.863 3.957 50 0 aggregator IHAARN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000008722784 556203441 /nfs/dbraw/zinc/20/34/41/556203441.db2.gz DCZATXFXVQGXOH-UHFFFAOYSA-N 0 0 432.542 3.666 50 0 IHAARN COc1ccc(C=C(NC(=O)c2ccco2)C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000008770333 556213272 /nfs/dbraw/zinc/21/32/72/556213272.db2.gz XVJMYMGCNIYLAL-XDHOZWIPSA-N 0 0 434.448 3.909 50 0 IHAARN CCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009095017 556246514 /nfs/dbraw/zinc/24/65/14/556246514.db2.gz WQXASOMYOZKQMX-UHFFFAOYSA-N 0 0 432.542 3.529 50 0 IHAARN COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000009095616 556246756 /nfs/dbraw/zinc/24/67/56/556246756.db2.gz HFMQLYAISFSRHO-ZDUSSCGKSA-N 0 0 433.302 3.766 50 0 IHAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000009096310 556247043 /nfs/dbraw/zinc/24/70/43/556247043.db2.gz ZWEKOWRNRQRTMW-UHFFFAOYSA-N 0 0 438.615 3.931 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)CC2=O)cc1 ZINC000009191095 556253449 /nfs/dbraw/zinc/25/34/49/556253449.db2.gz VMCBRRVPKVNQGE-JOCHJYFZSA-N 0 0 445.563 3.714 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009197348 556255668 /nfs/dbraw/zinc/25/56/68/556255668.db2.gz JYVMKVPEJFWOAQ-UHFFFAOYSA-N 0 0 427.932 3.969 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)c(OC)c1 ZINC000009197997 556256236 /nfs/dbraw/zinc/25/62/36/556256236.db2.gz IVWLGBYBFVKFKP-AWEZNQCLSA-N 0 0 438.509 3.637 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199170 556256775 /nfs/dbraw/zinc/25/67/75/556256775.db2.gz OFAZOIWOCCQIEI-CQSZACIVSA-N 0 0 425.872 3.580 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C ZINC000009231907 556261308 /nfs/dbraw/zinc/26/13/08/556261308.db2.gz QTYDFTBXUISTHA-HNNXBMFYSA-N 0 0 434.414 3.857 50 0 IHAARN CCCCOc1ccc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000009233750 556262453 /nfs/dbraw/zinc/26/24/53/556262453.db2.gz FBVUVVRHMFNXKZ-IBGZPJMESA-N 0 0 440.540 3.595 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237658 556264490 /nfs/dbraw/zinc/26/44/90/556264490.db2.gz GSFIYJRYAKUIHT-HOTGVXAUSA-N 0 0 448.321 3.886 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000009303414 556276151 /nfs/dbraw/zinc/27/61/51/556276151.db2.gz UBETXHQNPQAHJM-CQSZACIVSA-N 0 0 444.586 3.672 50 0 IHAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3n2)cc1 ZINC000009310012 556278889 /nfs/dbraw/zinc/27/88/89/556278889.db2.gz KPGOMGUIEGLFAP-UHFFFAOYSA-N 0 0 428.418 3.740 50 0 IHAARN COc1cccc(C(=O)N2CCC(C(=O)NCCc3c(C)[nH]c4ccc(F)cc43)CC2)c1 ZINC000013689972 556279349 /nfs/dbraw/zinc/27/93/49/556279349.db2.gz GMZJSHXVLCUYBC-UHFFFAOYSA-N 0 0 437.515 3.835 50 0 IHAARN COCCNC(=O)COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 ZINC000013690334 556279642 /nfs/dbraw/zinc/27/96/42/556279642.db2.gz DBOFWFXSRRFXOT-UHFFFAOYSA-N 0 0 437.370 3.500 50 0 IHAARN S=C1N=NC(Cn2c3ccccc3nc2-c2ccccn2)N1c1cccc2nonc21 ZINC000013691488 556281152 /nfs/dbraw/zinc/28/11/52/556281152.db2.gz CEGNRBPOVBTOIG-UHFFFAOYSA-N 0 0 426.465 3.552 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)ccn3n2)cc1OC ZINC000009327536 556281985 /nfs/dbraw/zinc/28/19/85/556281985.db2.gz SAQGSALIABWWFQ-UHFFFAOYSA-N 0 0 446.507 3.744 50 0 IHAARN COc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000009348875 556284355 /nfs/dbraw/zinc/28/43/55/556284355.db2.gz XZUNIXIPHCZCHK-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000009355145 556284751 /nfs/dbraw/zinc/28/47/51/556284751.db2.gz URGMCDBGWCVYPD-UHFFFAOYSA-N 0 0 429.520 3.975 50 0 IHAARN O=C(COc1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009424133 556289611 /nfs/dbraw/zinc/28/96/11/556289611.db2.gz ADKHEIJREXEDPY-MRXNPFEDSA-N 0 0 428.337 3.588 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000009490939 556294752 /nfs/dbraw/zinc/29/47/52/556294752.db2.gz PMSCWKPMRFSMMD-UHFFFAOYSA-N 0 0 426.922 3.640 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000009525886 556296321 /nfs/dbraw/zinc/29/63/21/556296321.db2.gz NZDGLIQYAZTUAC-HNNXBMFYSA-N 0 0 430.888 3.500 50 0 IHAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000013735276 556297457 /nfs/dbraw/zinc/29/74/57/556297457.db2.gz SGMYLLJFYOLOFU-UHFFFAOYSA-N 0 0 430.457 3.685 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000065023111 556298149 /nfs/dbraw/zinc/29/81/49/556298149.db2.gz AQBFZTNWLUDMBN-HNNXBMFYSA-N 0 0 425.872 3.803 50 0 IHAARN O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013749626 556298727 /nfs/dbraw/zinc/29/87/27/556298727.db2.gz FCVVMBKIRWDZIR-INIZCTEOSA-N 0 0 428.337 3.588 50 0 IHAARN COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013750095 556298804 /nfs/dbraw/zinc/29/88/04/556298804.db2.gz QEPWMNSOPZJPKQ-LESCRADOSA-N 0 0 446.396 3.802 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 ZINC000013752067 556299429 /nfs/dbraw/zinc/29/94/29/556299429.db2.gz BVNNRRFHYPVGEE-UHFFFAOYSA-N 0 0 427.530 3.576 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000013759326 556301549 /nfs/dbraw/zinc/30/15/49/556301549.db2.gz XMPMGJJQSQPGEC-WCIQWLHISA-N 0 0 437.293 3.554 50 0 IHAARN Cc1cc(C)n(-c2ccc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)n1 ZINC000032741306 556302831 /nfs/dbraw/zinc/30/28/31/556302831.db2.gz MKJLAPAMZKNKCQ-UHFFFAOYSA-N 0 0 439.537 3.631 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000009614669 556303940 /nfs/dbraw/zinc/30/39/40/556303940.db2.gz QGUCKCDIIFYOKR-CXUHLZMHSA-N 0 0 436.533 3.868 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 ZINC000022889105 556304267 /nfs/dbraw/zinc/30/42/67/556304267.db2.gz PQRPTQHPIDUTFR-UHFFFAOYSA-N 0 0 432.528 3.731 50 0 IHAARN O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000013770596 556305174 /nfs/dbraw/zinc/30/51/74/556305174.db2.gz BNYUVGKYJWFGBL-HXUWFJFHSA-N 0 0 443.441 3.860 50 0 IHAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000032732092 556305640 /nfs/dbraw/zinc/30/56/40/556305640.db2.gz CNHYQFHJLHDCEG-IBGZPJMESA-N 0 0 441.380 3.720 50 0 IHAARN O=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccccc1F ZINC000013799771 556310133 /nfs/dbraw/zinc/31/01/33/556310133.db2.gz PIKKTRFDKUIBIE-MRCUWXFGSA-N 0 0 427.460 3.513 50 0 IHAARN O=C(CSc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1F ZINC000009830329 556310722 /nfs/dbraw/zinc/31/07/22/556310722.db2.gz SHSWOTFUPXJRGS-UHFFFAOYSA-N 0 0 438.459 3.849 50 0 IHAARN CCOc1cc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CC2)ccc1OC(F)F ZINC000032744950 556314193 /nfs/dbraw/zinc/31/41/93/556314193.db2.gz WQFWTUHIUUCLJO-UHFFFAOYSA-N 0 0 446.450 3.603 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)n3nnc(-c4ccc(Br)cc4)n3)o2)cc1 ZINC000032745356 556315098 /nfs/dbraw/zinc/31/50/98/556315098.db2.gz CBZFYQYAWKKXKK-LLVKDONJSA-N 0 0 427.262 3.771 50 0 IHAARN CC(=O)N(c1ccc(F)cc1)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000009892296 556315248 /nfs/dbraw/zinc/31/52/48/556315248.db2.gz SJZWEMSZJZETBY-OAQYLSRUSA-N 0 0 443.906 3.629 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000013844307 556318548 /nfs/dbraw/zinc/31/85/48/556318548.db2.gz ASFVFFUEGBHECC-UHFFFAOYSA-N 0 0 442.924 3.976 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000013856519 556321008 /nfs/dbraw/zinc/32/10/08/556321008.db2.gz POIQZILOGSTIRI-OAHLLOKOSA-N 0 0 445.313 3.601 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000010013794 556322698 /nfs/dbraw/zinc/32/26/98/556322698.db2.gz OJDXZIDWYXFLPZ-UHFFFAOYSA-N 0 0 428.941 3.847 50 0 IHAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O ZINC000013881463 556326290 /nfs/dbraw/zinc/32/62/90/556326290.db2.gz RSUFHGZXWVBOEV-HLPMDPMVSA-N 0 0 433.267 3.840 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCCCN1C(=O)c2ccccc2C1=O ZINC000032776466 556326542 /nfs/dbraw/zinc/32/65/42/556326542.db2.gz UVGXWDGUFHGOID-QFIPXVFZSA-N 0 0 432.476 3.570 50 0 IHAARN C[C@@H](CNC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 ZINC000010273471 556329032 /nfs/dbraw/zinc/32/90/32/556329032.db2.gz XCCZITFHRSNQLJ-KRWDZBQOSA-N 0 0 449.942 3.776 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(CCOC)cc2)c(Br)c1 ZINC000032770598 556334474 /nfs/dbraw/zinc/33/44/74/556334474.db2.gz IMJWRWFTTQJQSU-UHFFFAOYSA-N 0 0 443.315 3.582 50 0 IHAARN COc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3[S@](C)=O)n2)cc1 ZINC000032772574 556335624 /nfs/dbraw/zinc/33/56/24/556335624.db2.gz CVWCCXFPPTXZRG-SSEXGKCCSA-N 0 0 427.526 3.625 50 0 IHAARN CC(=O)Oc1ccc(C(=O)N(C(=O)c2ccc(OC(C)=O)cc2)c2ccc(C)cn2)cc1 ZINC000013944191 556341375 /nfs/dbraw/zinc/34/13/75/556341375.db2.gz APSDMHSKDULBKL-UHFFFAOYSA-N 0 0 432.432 3.728 50 0 IHAARN COc1ccc(CCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000013944630 556341949 /nfs/dbraw/zinc/34/19/49/556341949.db2.gz BZURLQYUWMFHMA-KRWDZBQOSA-N 0 0 436.537 3.947 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000011709172 556347782 /nfs/dbraw/zinc/34/77/82/556347782.db2.gz JQKUKNDBZYESRM-RUZDIDTESA-N 0 0 437.467 3.960 50 0 IHAARN CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc21 ZINC000032787258 556350289 /nfs/dbraw/zinc/35/02/89/556350289.db2.gz FXLQFBIPSLAXAG-UHFFFAOYSA-N 0 0 437.974 3.523 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000032778444 556351378 /nfs/dbraw/zinc/35/13/78/556351378.db2.gz LJFDVZIKNLNVRM-AWEZNQCLSA-N 0 0 432.509 3.893 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013987722 556352517 /nfs/dbraw/zinc/35/25/17/556352517.db2.gz GFECFWDIQFPHCD-GOSISDBHSA-N 0 0 449.594 3.552 50 0 IHAARN COC(=O)c1cc(CNC(=O)C2CCCCC2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000011785299 556353215 /nfs/dbraw/zinc/35/32/15/556353215.db2.gz JTSJHXYAWPWCOZ-UHFFFAOYSA-N 0 0 448.516 3.610 50 0 IHAARN COc1ccccc1[C@H]1CCCN1C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C)C1=O ZINC000011788073 556354637 /nfs/dbraw/zinc/35/46/37/556354637.db2.gz XGWBIGBGJWSESP-NTKDMRAZSA-N 0 0 440.927 3.729 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000014016511 556355587 /nfs/dbraw/zinc/35/55/87/556355587.db2.gz JSFPBCLJASQLPW-VWLOTQADSA-N 0 0 449.620 3.929 50 0 IHAARN COc1ccccc1CCNc1ncnc2sc(C(=O)NCc3ccncc3)c(C)c21 ZINC000011790497 556355678 /nfs/dbraw/zinc/35/56/78/556355678.db2.gz QXKDVNYJTGQVEM-UHFFFAOYSA-N 0 0 433.537 3.988 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000014021452 556356740 /nfs/dbraw/zinc/35/67/40/556356740.db2.gz IUHDDOUGTNFYRL-DEOSSOPVSA-N 0 0 436.515 3.900 50 0 IHAARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C(=O)NC4CC4)cc3c2C1 ZINC000014021351 556356817 /nfs/dbraw/zinc/35/68/17/556356817.db2.gz RPQOUCWFGULNFA-HNNXBMFYSA-N 0 0 445.519 3.980 50 0 IHAARN CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)s1 ZINC000014069790 556360384 /nfs/dbraw/zinc/36/03/84/556360384.db2.gz YFABAAGLUDFDFS-LBPRGKRZSA-N 0 0 443.554 3.960 50 0 IHAARN Cc1ccccc1[C@H](CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O ZINC000032796546 556361844 /nfs/dbraw/zinc/36/18/44/556361844.db2.gz ZNLZBSVYJOBKSL-VQTJNVASSA-N 0 0 445.947 3.947 50 0 IHAARN Fc1cccc(-n2nnnc2SCc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000014094283 556366211 /nfs/dbraw/zinc/36/62/11/556366211.db2.gz BLXLCWOCUHTCTD-UHFFFAOYSA-N 0 0 433.266 3.906 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014095403 556367225 /nfs/dbraw/zinc/36/72/25/556367225.db2.gz MVYXNAJVNROJGV-LJQANCHMSA-N 0 0 443.594 3.929 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 ZINC000011866747 556368532 /nfs/dbraw/zinc/36/85/32/556368532.db2.gz ORFKTQHXUNVXIG-DYESRHJHSA-N 0 0 437.492 3.548 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2c1C ZINC000032808479 556368565 /nfs/dbraw/zinc/36/85/65/556368565.db2.gz PGINPVZZVIALHY-AWEZNQCLSA-N 0 0 443.525 3.556 50 0 IHAARN Cc1cc(C(=O)N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)n(C)n1 ZINC000011873254 556369609 /nfs/dbraw/zinc/36/96/09/556369609.db2.gz GPYAPSPWVHPELJ-UHFFFAOYSA-N 0 0 444.963 3.738 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)o1 ZINC000011878958 556371322 /nfs/dbraw/zinc/37/13/22/556371322.db2.gz LJXKTQSJOFHHAD-MRXNPFEDSA-N 0 0 430.501 3.714 50 0 IHAARN CCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C1CC1 ZINC000004508172 556371918 /nfs/dbraw/zinc/37/19/18/556371918.db2.gz STNYOLGTYPIMHH-UHFFFAOYSA-N 0 0 428.529 3.578 50 0 IHAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)N(C)Cc2nccs2)C3)c1 ZINC000011881691 556373233 /nfs/dbraw/zinc/37/32/33/556373233.db2.gz GUIBWOCTEGFOLX-AWEZNQCLSA-N 0 0 440.550 3.564 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1 ZINC000011913157 556375894 /nfs/dbraw/zinc/37/58/94/556375894.db2.gz KGQUANFVRBGRGO-FQEVSTJZSA-N 0 0 445.485 3.631 50 0 IHAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cn(CCCc4ccccc4)nn3)c2)n1 ZINC000011934950 556377991 /nfs/dbraw/zinc/37/79/91/556377991.db2.gz FJUXDVJJTNBAOO-UHFFFAOYSA-N 0 0 428.540 3.986 50 0 IHAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccc[n+]([O-])c1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000011953433 556380627 /nfs/dbraw/zinc/38/06/27/556380627.db2.gz CHESVNKDJAWBCS-UHFFFAOYSA-N 0 0 441.409 3.790 50 0 IHAARN COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)CCCc2ccccc2)C3)nc1 ZINC000011972933 556382954 /nfs/dbraw/zinc/38/29/54/556382954.db2.gz DQWOJRIEYHVYMH-NRFANRHFSA-N 0 0 430.504 3.978 50 0 IHAARN Cc1nc([C@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1 ZINC000011995969 556384092 /nfs/dbraw/zinc/38/40/92/556384092.db2.gz URGOOVJNJOCITI-ZDUSSCGKSA-N 0 0 430.537 3.992 50 0 IHAARN Cc1ccc2oc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc(=O)c2c1 ZINC000014184781 556384794 /nfs/dbraw/zinc/38/47/94/556384794.db2.gz AFNFXUQXZBFJQL-UHFFFAOYSA-N 0 0 429.270 3.541 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NCc3ccc(Cl)s3)CCC(=O)N2)cc1OC ZINC000011998045 556384773 /nfs/dbraw/zinc/38/47/73/556384773.db2.gz RSADRJXEEXGQHO-OAQYLSRUSA-N 0 0 436.961 3.707 50 0 IHAARN CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000011998199 556384905 /nfs/dbraw/zinc/38/49/05/556384905.db2.gz KNEVWWNDAVKKLB-BUSSHWHTSA-N 0 0 440.559 3.907 50 0 IHAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000014185855 556385416 /nfs/dbraw/zinc/38/54/16/556385416.db2.gz XQLZXKPSXZBKHA-UHFFFAOYSA-N 0 0 434.492 3.746 50 0 IHAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)c2snnc2C)C3)cc1 ZINC000012000829 556385624 /nfs/dbraw/zinc/38/56/24/556385624.db2.gz PEVSXDODQVIMMW-MRXNPFEDSA-N 0 0 443.912 3.687 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)NC[C@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1 ZINC000012021706 556386996 /nfs/dbraw/zinc/38/69/96/556386996.db2.gz WHYDGWWQUMYCDH-QGZVFWFLSA-N 0 0 437.883 3.578 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C ZINC000012025116 556387345 /nfs/dbraw/zinc/38/73/45/556387345.db2.gz XUKAIDXAXPAKKQ-MRXNPFEDSA-N 0 0 429.590 3.829 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000014198159 556389468 /nfs/dbraw/zinc/38/94/68/556389468.db2.gz QMGJHEVYJQFQTR-HNNXBMFYSA-N 0 0 439.541 3.688 50 0 IHAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000012035426 556389549 /nfs/dbraw/zinc/38/95/49/556389549.db2.gz ZCTCWLBDUMJWKM-LJQANCHMSA-N 0 0 434.496 3.539 50 0 IHAARN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccsc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012041007 556390982 /nfs/dbraw/zinc/39/09/82/556390982.db2.gz OOFGJSHHDQFHGU-RUZDIDTESA-N 0 0 447.560 3.697 50 0 IHAARN O=C(CCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014200647 556391157 /nfs/dbraw/zinc/39/11/57/556391157.db2.gz DDEMDIUQORIKGA-UHFFFAOYSA-N 0 0 445.343 3.598 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014200814 556391418 /nfs/dbraw/zinc/39/14/18/556391418.db2.gz CMJXKCOBLDELLV-HXUWFJFHSA-N 0 0 426.476 3.846 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000012054237 556393387 /nfs/dbraw/zinc/39/33/87/556393387.db2.gz KDHAHEPEUAVDOH-FQEVSTJZSA-N 0 0 429.538 3.960 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)CCC[C@H]2N3)cc1 ZINC000032818822 556393710 /nfs/dbraw/zinc/39/37/10/556393710.db2.gz QJIHSAQIHXCLAB-VOQZNFBZSA-N 0 0 434.496 3.724 50 0 IHAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 ZINC000032809343 556394102 /nfs/dbraw/zinc/39/41/02/556394102.db2.gz XISHLYRTRPVQIA-NRFANRHFSA-N 0 0 428.504 3.956 50 0 IHAARN CCN(Cc1ccncc1)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000012056892 556394471 /nfs/dbraw/zinc/39/44/71/556394471.db2.gz AIGDPOWUBMKAHP-SANMLTNESA-N 0 0 433.552 3.768 50 0 IHAARN CCc1ccc(NC(=O)Cc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000014226501 556394946 /nfs/dbraw/zinc/39/49/46/556394946.db2.gz NVBORCKQABUVBK-UHFFFAOYSA-N 0 0 429.567 3.950 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 ZINC000012057602 556395009 /nfs/dbraw/zinc/39/50/09/556395009.db2.gz QKEXWRUQLFCHSJ-XMMPIXPASA-N 0 0 429.536 3.786 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@H](C)O1 ZINC000014227689 556395524 /nfs/dbraw/zinc/39/55/24/556395524.db2.gz LBOACQLDQCQJGL-IRXDYDNUSA-N 0 0 446.594 3.627 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000012072635 556396219 /nfs/dbraw/zinc/39/62/19/556396219.db2.gz GRBXKLKZQLEYOF-OAQYLSRUSA-N 0 0 429.524 3.845 50 0 IHAARN COC(=O)CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012074221 556396693 /nfs/dbraw/zinc/39/66/93/556396693.db2.gz AJGOFJMNQQAAER-IBGZPJMESA-N 0 0 433.508 3.965 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000014231508 556397916 /nfs/dbraw/zinc/39/79/16/556397916.db2.gz YMSYZINMNPTWTR-CVDCTZTESA-N 0 0 430.552 3.774 50 0 IHAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000032814410 556399704 /nfs/dbraw/zinc/39/97/04/556399704.db2.gz XEAGORJMKSAPNB-UHFFFAOYSA-N 0 0 427.526 3.924 50 0 IHAARN Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)c1 ZINC000022930333 556403925 /nfs/dbraw/zinc/40/39/25/556403925.db2.gz LCZVBKAHKVBYNO-HXUWFJFHSA-N 0 0 433.556 3.979 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc32)c(OC)c1 ZINC000014244243 556403929 /nfs/dbraw/zinc/40/39/29/556403929.db2.gz OTAZXAZMFNDKGK-HSZRJFAPSA-N 0 0 432.520 3.879 50 0 IHAARN Cc1cccc(C)c1O[C@H](C)C(=O)NC[C@H](C)NC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000012404075 556404314 /nfs/dbraw/zinc/40/43/14/556404314.db2.gz GZYXHVUWYJISGZ-HBMCJLEFSA-N 0 0 426.557 3.776 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccc4c(c3)OCO4)CC2)cc1F ZINC000219260032 556406281 /nfs/dbraw/zinc/40/62/81/556406281.db2.gz JLZXQFIDWOIRDB-HXUWFJFHSA-N 0 0 439.530 3.822 50 0 IHAARN CCCn1nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)c2ccccc2c1=O ZINC000014246773 556406545 /nfs/dbraw/zinc/40/65/45/556406545.db2.gz KWHXKHMPWIADPD-AWEZNQCLSA-N 0 0 434.452 3.783 50 0 IHAARN O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014248493 556407714 /nfs/dbraw/zinc/40/77/14/556407714.db2.gz YPLXRSIWQSOQRI-CQSZACIVSA-N 0 0 434.514 3.580 50 0 IHAARN CN(CC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1)S(=O)(=O)c1cccs1 ZINC000014251715 556409309 /nfs/dbraw/zinc/40/93/09/556409309.db2.gz FHOXOCXIWWFBHR-UHFFFAOYSA-N 0 0 441.987 3.708 50 0 IHAARN COc1cc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)s3)CC2)cc(OC)c1 ZINC000014255168 556410614 /nfs/dbraw/zinc/41/06/14/556410614.db2.gz SNIIZTDUJNTZAS-UHFFFAOYSA-N 0 0 430.570 3.675 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000032636493 556411664 /nfs/dbraw/zinc/41/16/64/556411664.db2.gz ULXKXXADTLDSPP-QHCPKHFHSA-N 0 0 443.906 3.611 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 ZINC000012809396 556412012 /nfs/dbraw/zinc/41/20/12/556412012.db2.gz UHOYHHXOOBMBIN-KRWDZBQOSA-N 0 0 432.542 3.584 50 0 IHAARN Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)ccc1Br ZINC000032642909 556412315 /nfs/dbraw/zinc/41/23/15/556412315.db2.gz NKJHQLDAVYTZLH-UHFFFAOYSA-N 0 0 427.302 3.790 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@@H]1C ZINC000014360319 556414453 /nfs/dbraw/zinc/41/44/53/556414453.db2.gz GYTPPXNQJJLVLY-IOASZLSFSA-N 0 0 437.949 3.966 50 0 IHAARN CC[C@@H](C)[C@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O ZINC000032672066 556414815 /nfs/dbraw/zinc/41/48/15/556414815.db2.gz JBLVBDDEGYYHOH-BFUOFWGJSA-N 0 0 437.427 3.630 50 0 IHAARN COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc(Cl)c1OCC(C)C ZINC000014371208 556414947 /nfs/dbraw/zinc/41/49/47/556414947.db2.gz SMHOBQPZSUCVMR-UHFFFAOYSA-N 0 0 435.933 3.954 50 0 IHAARN COC(=O)c1ccccc1[S@@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012951171 556418235 /nfs/dbraw/zinc/41/82/35/556418235.db2.gz RSYGAVBQYPQNBW-MUUNZHRXSA-N 0 0 434.926 3.996 50 0 IHAARN O=C(c1cc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc21)N1CCOCC1 ZINC000032837490 556418749 /nfs/dbraw/zinc/41/87/49/556418749.db2.gz ZAJDOSGJQVIXEN-UHFFFAOYSA-N 0 0 436.943 3.687 50 0 IHAARN Cc1sc2ncn(CC(=O)Nc3nc(CN4C[C@H](C)C[C@@H](C)C4)cs3)c(=O)c2c1C ZINC000014528912 556420067 /nfs/dbraw/zinc/42/00/67/556420067.db2.gz NYKPBDQJMJPQEC-CHWSQXEVSA-N 0 0 445.614 3.648 50 0 IHAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(CO)c1)c1ccc(F)cc1 ZINC000012975513 556421032 /nfs/dbraw/zinc/42/10/32/556421032.db2.gz CTDZIAMJWHWXIL-HSZRJFAPSA-N 0 0 431.467 3.779 50 0 IHAARN COc1cc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000012976439 556421861 /nfs/dbraw/zinc/42/18/61/556421861.db2.gz WDTOQSVGUUJETQ-PSNSNTLYSA-N 0 0 442.556 3.858 50 0 IHAARN COC[C@H](C)Nc1cnc2c(c1)c(NC(=O)C1CC1)c(C(=O)OC)n2Cc1ccccc1 ZINC000014535464 556423138 /nfs/dbraw/zinc/42/31/38/556423138.db2.gz TZECHRRDEHYSKX-HNNXBMFYSA-N 0 0 436.512 3.667 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000012978823 556423307 /nfs/dbraw/zinc/42/33/07/556423307.db2.gz GVTHSJCYDXFXEI-JOCHJYFZSA-N 0 0 441.553 3.620 50 0 IHAARN CCn1c2ncc(NC[C@H]3CC=CCC3)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014536047 556423457 /nfs/dbraw/zinc/42/34/57/556423457.db2.gz SBBOUNBWORLWKS-JKSUJKDBSA-N 0 0 426.517 3.586 50 0 IHAARN COc1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000012980278 556423870 /nfs/dbraw/zinc/42/38/70/556423870.db2.gz BJUCEAPRYHEYJK-UHFFFAOYSA-N 0 0 440.418 3.632 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000012983302 556425482 /nfs/dbraw/zinc/42/54/82/556425482.db2.gz XVYZWDYPFCUDLE-HXUWFJFHSA-N 0 0 448.585 3.888 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012993007 556429250 /nfs/dbraw/zinc/42/92/50/556429250.db2.gz BNSPDWRRODNPCN-IBGZPJMESA-N 0 0 431.510 3.550 50 0 IHAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000012993515 556429410 /nfs/dbraw/zinc/42/94/10/556429410.db2.gz USUPSCSYUUHRMM-GFCCVEGCSA-N 0 0 426.546 3.866 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)o1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032848698 556430843 /nfs/dbraw/zinc/43/08/43/556430843.db2.gz VDHOZYDVIMXWHP-UHFFFAOYSA-N 0 0 438.509 3.581 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(-c2ccc([C@H]3NC(=O)c4ccccc4N3C)o2)cc1 ZINC000032855750 556433183 /nfs/dbraw/zinc/43/31/83/556433183.db2.gz ZFTOVBABRIXRLM-NRFANRHFSA-N 0 0 425.510 3.512 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000027922621 556435726 /nfs/dbraw/zinc/43/57/26/556435726.db2.gz JRYBXDAVLQWQJL-FQEVSTJZSA-N 0 0 449.580 3.990 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c1 ZINC000027956321 556435982 /nfs/dbraw/zinc/43/59/82/556435982.db2.gz SWBGUNLZVHDFAP-MAUKXSAKSA-N 0 0 433.574 3.666 50 0 IHAARN C[C@@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)C[C@@H](C)O1 ZINC000013016858 556438302 /nfs/dbraw/zinc/43/83/02/556438302.db2.gz KGIMSBGGEBVAFJ-IAGOWNOFSA-N 0 0 439.943 3.667 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@@H](C)C(C)(C)O)cnc2n1CC(C)C ZINC000014744496 556440471 /nfs/dbraw/zinc/44/04/71/556440471.db2.gz KFIPFRIODQYGJX-AWEZNQCLSA-N 0 0 442.516 3.896 50 0 IHAARN Cc1cc(=O)c(C(=O)OCCOc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000013027973 556441247 /nfs/dbraw/zinc/44/12/47/556441247.db2.gz NAFZSQMDHMSLNV-UHFFFAOYSA-N 0 0 436.361 3.935 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000027999681 556441297 /nfs/dbraw/zinc/44/12/97/556441297.db2.gz CSDKOSSKBMWIHL-UHFFFAOYSA-N 0 0 428.583 3.998 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@H](C)c1nc4sc(C)c(C)c4c(=O)[nH]1)(C3)C2 ZINC000032957586 556442382 /nfs/dbraw/zinc/44/23/82/556442382.db2.gz CRPZKIYZVCATHT-XNYRWGCRSA-N 0 0 443.569 3.681 50 0 IHAARN CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 ZINC000014750619 556443265 /nfs/dbraw/zinc/44/32/65/556443265.db2.gz ICWGROMYTWOSHW-UHFFFAOYSA-N 0 0 439.604 3.874 50 0 IHAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)N(c2ccccc2)N1 ZINC000013038468 556444108 /nfs/dbraw/zinc/44/41/08/556444108.db2.gz BIJDFFJLLUNDSO-DHIUTWEWSA-N 0 0 440.478 3.945 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000013039067 556444779 /nfs/dbraw/zinc/44/47/79/556444779.db2.gz VSOLFFLYFKYGJG-OYRHEFFESA-N 0 0 446.588 3.589 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cncc(Br)c3)cc(=O)oc2c1 ZINC000011027891 556445175 /nfs/dbraw/zinc/44/51/75/556445175.db2.gz WGNDQLODCGZZER-UHFFFAOYSA-N 0 0 447.241 3.876 50 0 IHAARN COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 ZINC000013040145 556445820 /nfs/dbraw/zinc/44/58/20/556445820.db2.gz IMJYJJCABNEOJB-UHFFFAOYSA-N 0 0 443.594 3.634 50 0 IHAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000028228504 556446237 /nfs/dbraw/zinc/44/62/37/556446237.db2.gz LQBQJARPEVBOQR-YLJYHZDGSA-N 0 0 439.936 3.852 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000028274391 556447125 /nfs/dbraw/zinc/44/71/25/556447125.db2.gz JROGZAGYIHPXRN-JOCHJYFZSA-N 0 0 439.581 3.605 50 0 IHAARN CN(c1ccccc1)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 ZINC000072272775 556447211 /nfs/dbraw/zinc/44/72/11/556447211.db2.gz KDSSDILUGZGSER-UHFFFAOYSA-N 0 0 438.549 3.995 50 0 IHAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000013041219 556447479 /nfs/dbraw/zinc/44/74/79/556447479.db2.gz DRUWXPWFKDSLAN-UHFFFAOYSA-N 0 0 440.466 3.631 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 ZINC000013041649 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50 0 IHAARN O=C(c1cccs1)N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000013063161 556451754 /nfs/dbraw/zinc/45/17/54/556451754.db2.gz KUXYLJVIKSSDCI-UHFFFAOYSA-N 0 0 436.562 3.671 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccsc3)C2)s1 ZINC000028317870 556452073 /nfs/dbraw/zinc/45/20/73/556452073.db2.gz HUUHNOSBBBHEGC-MRXNPFEDSA-N 0 0 444.669 3.568 50 0 IHAARN Cc1c(O)ccc2c(COC(=O)c3ccccc3SCC(=O)NC(C)C)cc(=O)oc12 ZINC000013068903 556452594 /nfs/dbraw/zinc/45/25/94/556452594.db2.gz GRCHNYCBFZWWJS-UHFFFAOYSA-N 0 0 441.505 3.781 50 0 IHAARN COc1ccc(CCC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1OC ZINC000014881077 556453526 /nfs/dbraw/zinc/45/35/26/556453526.db2.gz JSHPBPUICOPGKG-LJQANCHMSA-N 0 0 436.483 3.957 50 0 IHAARN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2s1 ZINC000013072922 556454000 /nfs/dbraw/zinc/45/40/00/556454000.db2.gz BKRGOUWCZIWCMS-UHFFFAOYSA-N 0 0 427.507 3.929 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000013095770 556456688 /nfs/dbraw/zinc/45/66/88/556456688.db2.gz AXRONFOFUSSYGS-UHFFFAOYSA-N 0 0 446.569 3.541 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2C(N)=O)cc1 ZINC000014903905 556457303 /nfs/dbraw/zinc/45/73/03/556457303.db2.gz OICPAIBRDZGWGL-JOCHJYFZSA-N 0 0 429.476 3.551 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1N)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000013101248 556460472 /nfs/dbraw/zinc/46/04/72/556460472.db2.gz LRLQYAFLSVFQIY-UWVGGRQHSA-N 0 0 444.611 3.997 50 0 IHAARN CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1=O ZINC000014955746 556461942 /nfs/dbraw/zinc/46/19/42/556461942.db2.gz OMTBPACFFVFJQA-KRWDZBQOSA-N 0 0 435.499 3.665 50 0 IHAARN C[C@@H](NC(=O)c1ccc(CN2CCc3c([nH]c4ccccc43)C2)[nH]c1=O)c1cccs1 ZINC000014967971 556466018 /nfs/dbraw/zinc/46/60/18/556466018.db2.gz USSDYXHNJREBRJ-OAHLLOKOSA-N 0 0 432.549 3.967 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)n1C[C@H]1CCCO1 ZINC000013114236 556466524 /nfs/dbraw/zinc/46/65/24/556466524.db2.gz ZGAONKJRBZLOJC-MRXNPFEDSA-N 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ZINC000029195407 556469864 /nfs/dbraw/zinc/46/98/64/556469864.db2.gz NXVYEKDWNDKIEL-GFCCVEGCSA-N 0 0 435.456 3.794 50 0 IHAARN COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)O3)nn1 ZINC000014980734 556470562 /nfs/dbraw/zinc/47/05/62/556470562.db2.gz ZJVSUEWPXTXEIJ-AUUYWEPGSA-N 0 0 439.899 3.693 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000013117708 556470797 /nfs/dbraw/zinc/47/07/97/556470797.db2.gz URTYTSAPEOMJCQ-QGZVFWFLSA-N 0 0 444.553 3.514 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029256255 556470880 /nfs/dbraw/zinc/47/08/80/556470880.db2.gz PBSKUNPXKWZBEJ-UHFFFAOYSA-N 0 0 448.523 3.749 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc4c(c3)OCCO4)n2)o1 ZINC000029355691 556473392 /nfs/dbraw/zinc/47/33/92/556473392.db2.gz ZNDSJOLMRUQZGN-UHFFFAOYSA-N 0 0 445.522 3.541 50 0 IHAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3N2)c1 ZINC000013124577 556474903 /nfs/dbraw/zinc/47/49/03/556474903.db2.gz 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/nfs/dbraw/zinc/48/97/69/556489769.db2.gz LJZWADBCRRKDND-IUODEOHRSA-N 0 0 428.963 3.511 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044935 556489875 /nfs/dbraw/zinc/48/98/75/556489875.db2.gz MXYFMOOOMUOSHD-AWEZNQCLSA-N 0 0 446.345 3.832 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1c[nH]c2ccccc12 ZINC000013149731 556491571 /nfs/dbraw/zinc/49/15/71/556491571.db2.gz KJYNFVFWESXANW-UHFFFAOYSA-N 0 0 427.526 3.994 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4cccnc4)o3)c2c1C ZINC000013163675 556494390 /nfs/dbraw/zinc/49/43/90/556494390.db2.gz IJHURFXTIKBEAG-UHFFFAOYSA-N 0 0 440.554 3.737 50 0 IHAARN c1csc(-c2nc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)no2)c1 ZINC000030517989 556496271 /nfs/dbraw/zinc/49/62/71/556496271.db2.gz ZRBDNSMZELLRMH-UHFFFAOYSA-N 0 0 426.527 3.508 50 0 IHAARN COc1ccc(OCCN2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 ZINC000013164587 556496835 /nfs/dbraw/zinc/49/68/35/556496835.db2.gz CAYVFAVLKBLWNG-UHFFFAOYSA-N 0 0 444.531 3.763 50 0 IHAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011068694 556497225 /nfs/dbraw/zinc/49/72/25/556497225.db2.gz RGBKZUQYPCVAJS-SFHVURJKSA-N 0 0 436.556 3.753 50 0 IHAARN Cc1c(C(=O)NC[C@H]2CCCO2)sc2ncnc(N(C)CCOc3ccc(C)cc3)c12 ZINC000015072813 556497426 /nfs/dbraw/zinc/49/74/26/556497426.db2.gz UFUAUBUPOBDEQE-GOSISDBHSA-N 0 0 440.569 3.732 50 0 IHAARN CCOC(=O)[C@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000015073353 556497684 /nfs/dbraw/zinc/49/76/84/556497684.db2.gz QLGWGJSIPJBRBY-KRWDZBQOSA-N 0 0 432.590 3.577 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cc1OC ZINC000030583424 556498603 /nfs/dbraw/zinc/49/86/03/556498603.db2.gz RLAWZGWJKFUQDA-QGZVFWFLSA-N 0 0 434.945 3.579 50 0 IHAARN COc1ccc(OC[C@H](O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000030596900 556499429 /nfs/dbraw/zinc/49/94/29/556499429.db2.gz AIBACOAINAUHNG-NRFANRHFSA-N 0 0 444.487 3.931 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000030618302 556500110 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ZINC000032885471 556509831 /nfs/dbraw/zinc/50/98/31/556509831.db2.gz OKQHXIDKNUDQLZ-UHFFFAOYSA-N 0 0 444.896 3.914 50 0 IHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000015222496 556512172 /nfs/dbraw/zinc/51/21/72/556512172.db2.gz SNQIHKXFDPNTRV-UHFFFAOYSA-N 0 0 429.476 3.644 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000015239608 556513335 /nfs/dbraw/zinc/51/33/35/556513335.db2.gz RKNCZWDLBMJNIL-IBGZPJMESA-N 0 0 439.537 3.888 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC ZINC000032895136 556514675 /nfs/dbraw/zinc/51/46/75/556514675.db2.gz CNJPQAUMEMSTPT-INIZCTEOSA-N 0 0 425.453 3.677 50 0 IHAARN C[C@@H]1CN([C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000013551434 556514872 /nfs/dbraw/zinc/51/48/72/556514872.db2.gz UDGRTVPEFKQKBT-RBZYPMLTSA-N 0 0 444.584 3.984 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCCSc1ccccc1 ZINC000032895847 556515401 /nfs/dbraw/zinc/51/54/01/556515401.db2.gz CQIOLELXQWKUGK-UHFFFAOYSA-N 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O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000015470106 556529527 /nfs/dbraw/zinc/52/95/27/556529527.db2.gz YVEWXAAOQMFALG-IBGZPJMESA-N 0 0 446.334 3.976 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(C)nc2c(sc(=S)n2Cc2ccco2)c1=O ZINC000013593319 556531275 /nfs/dbraw/zinc/53/12/75/556531275.db2.gz JYNSDVMNGNJRLY-UHFFFAOYSA-N 0 0 442.522 3.586 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000013607044 556532979 /nfs/dbraw/zinc/53/29/79/556532979.db2.gz VEAJAYXAUNNSRY-UHFFFAOYSA-N 0 0 448.519 3.522 50 0 IHAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000032901036 556535553 /nfs/dbraw/zinc/53/55/53/556535553.db2.gz UZQLAMOQNVFYDO-UHFFFAOYSA-N 0 0 446.488 3.538 50 0 IHAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NC(C)(C)C ZINC000004574018 556536572 /nfs/dbraw/zinc/53/65/72/556536572.db2.gz QZBFALGNPWHIFG-UHFFFAOYSA-N 0 0 429.561 3.616 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013625264 556536686 /nfs/dbraw/zinc/53/66/86/556536686.db2.gz KLQRRPYLNZSLCO-KRWDZBQOSA-N 0 0 429.325 3.794 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc12 ZINC000013625282 556537119 /nfs/dbraw/zinc/53/71/19/556537119.db2.gz YEXIEGLRKCLNDP-UHFFFAOYSA-N 0 0 427.884 3.644 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032901940 556538247 /nfs/dbraw/zinc/53/82/47/556538247.db2.gz BYPHPTLZUUKPND-NRFANRHFSA-N 0 0 438.478 3.911 50 0 IHAARN COc1cc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)cc(OC)c1 ZINC000032902144 556538963 /nfs/dbraw/zinc/53/89/63/556538963.db2.gz IEYKDGDKEFHHNF-UHFFFAOYSA-N 0 0 427.482 3.996 50 0 IHAARN COc1ccccc1CNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000015653247 556540782 /nfs/dbraw/zinc/54/07/82/556540782.db2.gz ORAKSIKUPYZIEN-UHFFFAOYSA-N 0 0 447.944 3.760 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F ZINC000032579255 556541343 /nfs/dbraw/zinc/54/13/43/556541343.db2.gz PBTASQBMDWJBCF-UHFFFAOYSA-N 0 0 427.505 3.658 50 0 IHAARN CSc1ccc([C@@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 ZINC000013638219 556541492 /nfs/dbraw/zinc/54/14/92/556541492.db2.gz HZRKEONWIJRFIU-JOCHJYFZSA-N 0 0 441.564 3.897 50 0 IHAARN CSc1ccc([C@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 ZINC000013638222 556541611 /nfs/dbraw/zinc/54/16/11/556541611.db2.gz HZRKEONWIJRFIU-QFIPXVFZSA-N 0 0 441.564 3.897 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 ZINC000015664420 556541880 /nfs/dbraw/zinc/54/18/80/556541880.db2.gz HBNWJQYPCCICSF-NRFANRHFSA-N 0 0 442.523 3.845 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904462 556543949 /nfs/dbraw/zinc/54/39/49/556543949.db2.gz CZPHOVXLOOJFJA-DEOSSOPVSA-N 0 0 449.576 3.560 50 0 IHAARN C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000015743889 556547934 /nfs/dbraw/zinc/54/79/34/556547934.db2.gz YWYITCXOYNOKPA-INIZCTEOSA-N 0 0 440.487 3.732 50 0 IHAARN O=C(NCCc1nnc2ccccn21)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000032905414 556548440 /nfs/dbraw/zinc/54/84/40/556548440.db2.gz QPAGRLVHEAZDIL-UHFFFAOYSA-N 0 0 449.308 3.695 50 0 IHAARN CCc1nn2c(nc(C)c(CCC(=O)N3CCN(C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000032929410 556549595 /nfs/dbraw/zinc/54/95/95/556549595.db2.gz HCLPDVFBFZLITP-UHFFFAOYSA-N 0 0 439.991 3.936 50 0 IHAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000033115108 556554196 /nfs/dbraw/zinc/55/41/96/556554196.db2.gz YYLNOVWIHKSMJF-IBGZPJMESA-N 0 0 430.552 3.985 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015831241 556554698 /nfs/dbraw/zinc/55/46/98/556554698.db2.gz MFUIYTOZXJNXSB-IBGZPJMESA-N 0 0 439.533 3.548 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115303 556554735 /nfs/dbraw/zinc/55/47/35/556554735.db2.gz PCEDFWJTQRQANA-NRFANRHFSA-N 0 0 442.581 3.938 50 0 IHAARN COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)c1 ZINC000033266436 556557691 /nfs/dbraw/zinc/55/76/91/556557691.db2.gz MPCSDRSAIDIJSC-NRFANRHFSA-N 0 0 441.535 3.938 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)NC1CCCCC1 ZINC000015913900 556563341 /nfs/dbraw/zinc/56/33/41/556563341.db2.gz OZCYFWKSVUNURE-UHFFFAOYSA-N 0 0 441.597 3.568 50 0 IHAARN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000015919264 556563709 /nfs/dbraw/zinc/56/37/09/556563709.db2.gz WFNGHWRGBPTGQL-UHFFFAOYSA-N 0 0 449.370 3.793 50 0 IHAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(C(=O)CC(C)C)CC1 ZINC000032908229 556564498 /nfs/dbraw/zinc/56/44/98/556564498.db2.gz WXHXVTAIOASUJI-UHFFFAOYSA-N 0 0 446.551 3.878 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000032908587 556565423 /nfs/dbraw/zinc/56/54/23/556565423.db2.gz XVXKZCKIQAGXSC-UHFFFAOYSA-N 0 0 433.331 3.519 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000072308318 556565897 /nfs/dbraw/zinc/56/58/97/556565897.db2.gz LWJSSJPFUHCFMP-QHCPKHFHSA-N 0 0 433.483 3.669 50 0 IHAARN CC(C)OC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000015944888 556566664 /nfs/dbraw/zinc/56/66/64/556566664.db2.gz NCKMGIIRMQIDBY-SXGWCWSVSA-N 0 0 432.270 3.900 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c1 ZINC000032960391 556566996 /nfs/dbraw/zinc/56/69/96/556566996.db2.gz PKPMMEDBOHPWSV-QGZVFWFLSA-N 0 0 438.528 3.698 50 0 IHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000016010358 556573913 /nfs/dbraw/zinc/57/39/13/556573913.db2.gz DATLZRAUYJOGKE-AJGMTHFWSA-N 0 0 449.938 3.696 50 0 IHAARN O=C(OC1CCN(c2nncc3ccccc32)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000072310775 556576695 /nfs/dbraw/zinc/57/66/95/556576695.db2.gz DGKYXZFHXAYVGX-UHFFFAOYSA-N 0 0 430.508 3.973 50 0 IHAARN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000002979604 556578573 /nfs/dbraw/zinc/57/85/73/556578573.db2.gz CPOKGQICUIWLPU-UHFFFAOYSA-N 0 0 449.326 3.554 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000016047021 556580643 /nfs/dbraw/zinc/58/06/43/556580643.db2.gz OLTUCAHAFSZLRC-UHFFFAOYSA-N 0 0 430.888 3.786 50 0 IHAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)s1 ZINC000016097369 556582721 /nfs/dbraw/zinc/58/27/21/556582721.db2.gz VEVWJHBTESFJKK-CHWSQXEVSA-N 0 0 440.616 3.569 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000016097481 556582819 /nfs/dbraw/zinc/58/28/19/556582819.db2.gz ZQZSZFPEWQBPAN-UHFFFAOYSA-N 0 0 442.357 3.602 50 0 IHAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032966498 556587506 /nfs/dbraw/zinc/58/75/06/556587506.db2.gz UEYOZEDVSGRLMQ-UHFFFAOYSA-N 0 0 427.917 3.999 50 0 IHAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1Cl ZINC000016188064 556587870 /nfs/dbraw/zinc/58/78/70/556587870.db2.gz QFRDKCZTAAOZFB-UHFFFAOYSA-N 0 0 448.928 3.770 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc2ccccc2c1 ZINC000032967210 556588006 /nfs/dbraw/zinc/58/80/06/556588006.db2.gz PZGNHXBXSRRGRK-QFIPXVFZSA-N 0 0 449.503 3.925 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000036250477 556595592 /nfs/dbraw/zinc/59/55/92/556595592.db2.gz NDLFGFVSRGBBKE-QFIPXVFZSA-N 0 0 433.543 3.540 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)NCCCOC)c1C ZINC000032974533 556595875 /nfs/dbraw/zinc/59/58/75/556595875.db2.gz NVSIGYNWWQIFCK-UHFFFAOYSA-N 0 0 431.533 3.565 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000032973990 556596004 /nfs/dbraw/zinc/59/60/04/556596004.db2.gz LCRUOPIKQHXTHZ-FQEVSTJZSA-N 0 0 428.598 3.923 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000032974260 556596485 /nfs/dbraw/zinc/59/64/85/556596485.db2.gz VTKNZZMLVBJEIA-QGZVFWFLSA-N 0 0 440.540 3.832 50 0 IHAARN COc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC(C)(C)C)cc(Br)c1OC ZINC000016361278 556602256 /nfs/dbraw/zinc/60/22/56/556602256.db2.gz URNUATMDGNIACW-AWEZNQCLSA-N 0 0 443.363 3.601 50 0 IHAARN CC(C)c1ccc(CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000016397085 556605086 /nfs/dbraw/zinc/60/50/86/556605086.db2.gz VNPJGDCVQXTOKQ-HSZRJFAPSA-N 0 0 432.630 3.733 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000032986051 556605723 /nfs/dbraw/zinc/60/57/23/556605723.db2.gz YDFJVTGTAFLBFN-UHFFFAOYSA-N 0 0 436.386 3.636 50 0 IHAARN CC(C)[C@H](NC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032987675 556608009 /nfs/dbraw/zinc/60/80/09/556608009.db2.gz UNGAKOPFMJDSPE-SFHVURJKSA-N 0 0 430.555 3.882 50 0 IHAARN CCOC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccc(OC)cc1 ZINC000016448052 556608254 /nfs/dbraw/zinc/60/82/54/556608254.db2.gz AQYMTORDFFKNMX-UHFFFAOYSA-N 0 0 449.326 3.812 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CCCC(=O)c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022968576 556610698 /nfs/dbraw/zinc/61/06/98/556610698.db2.gz PXGNJODNJKWFTE-CQSZACIVSA-N 0 0 437.587 3.593 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cc(C)ccc4C)cc3=O)s2)cc1 ZINC000032996083 556611245 /nfs/dbraw/zinc/61/12/45/556611245.db2.gz AJXAISNZQBFXNK-UHFFFAOYSA-N 0 0 435.509 3.765 50 0 IHAARN COc1ccc2cc(C(=O)N3CCN(C(=O)c4nsc5ccc(C)cc54)CC3)[nH]c2c1 ZINC000032996690 556612379 /nfs/dbraw/zinc/61/23/79/556612379.db2.gz SLFPCASEPPNJKS-UHFFFAOYSA-N 0 0 434.521 3.693 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528397 556613061 /nfs/dbraw/zinc/61/30/61/556613061.db2.gz PFIZWMAPJCUMSZ-UHFFFAOYSA-N 0 0 448.596 3.861 50 0 IHAARN COc1cc2c(cc1OC)CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000016554015 556615223 /nfs/dbraw/zinc/61/52/23/556615223.db2.gz YSAYNBVAGLQFSJ-UHFFFAOYSA-N 0 0 430.353 3.843 50 0 IHAARN CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000016563705 556615673 /nfs/dbraw/zinc/61/56/73/556615673.db2.gz MRZJVXBNXXTGIM-FYYLOGMGSA-N 0 0 438.524 3.617 50 0 IHAARN COc1cccc(NC(=O)CN(C)[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 ZINC000016622959 556618241 /nfs/dbraw/zinc/61/82/41/556618241.db2.gz ARYAKDKHTHUUKX-DEOSSOPVSA-N 0 0 433.508 3.954 50 0 IHAARN O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000016625387 556618737 /nfs/dbraw/zinc/61/87/37/556618737.db2.gz GOAJWAROHVRADW-UHFFFAOYSA-N 0 0 434.496 3.525 50 0 IHAARN O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000016626819 556618942 /nfs/dbraw/zinc/61/89/42/556618942.db2.gz SAVLDQPKOMZLAV-UHFFFAOYSA-N 0 0 434.496 3.525 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2cccnc2Oc2ccccc2)n1 ZINC000016675270 556622039 /nfs/dbraw/zinc/62/20/39/556622039.db2.gz ZRIQMUUQFHNBJV-UHFFFAOYSA-N 0 0 444.451 3.750 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998915 556626778 /nfs/dbraw/zinc/62/67/78/556626778.db2.gz LDWXZDGPVZARDK-GOSISDBHSA-N 0 0 441.940 3.946 50 0 IHAARN NC(=O)C1CCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016694676 556628165 /nfs/dbraw/zinc/62/81/65/556628165.db2.gz MQVFELQTVYSHDD-NRFANRHFSA-N 0 0 431.330 3.754 50 0 IHAARN O=C(CC1CCCCC1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000039388045 556628325 /nfs/dbraw/zinc/62/83/25/556628325.db2.gz XDRWBPDUDSJKFZ-UHFFFAOYSA-N 0 0 438.528 3.998 50 0 IHAARN CCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)C1=O ZINC000016732861 556632181 /nfs/dbraw/zinc/63/21/81/556632181.db2.gz SYVIZFQOBTZSFP-VXPUYCOJSA-N 0 0 444.560 3.790 50 0 IHAARN CCOc1cc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O ZINC000016735411 556633005 /nfs/dbraw/zinc/63/30/05/556633005.db2.gz DVJINECSIVVLHV-YVUMUJEDSA-N 0 0 447.516 3.502 50 0 IHAARN CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000016741502 556635435 /nfs/dbraw/zinc/63/54/35/556635435.db2.gz WPZRTHDHUCJHOV-UYRXBGFRSA-N 0 0 437.952 3.601 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000016742579 556636600 /nfs/dbraw/zinc/63/66/00/556636600.db2.gz QMAVWIRJHCDIAZ-MJGOQNOKSA-N 0 0 433.570 3.869 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016750677 556637122 /nfs/dbraw/zinc/63/71/22/556637122.db2.gz ZXMULIJOKIBURX-OAHLLOKOSA-N 0 0 446.327 3.727 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000016753366 556638492 /nfs/dbraw/zinc/63/84/92/556638492.db2.gz BKSAUHVKSCNPOB-QHCPKHFHSA-N 0 0 427.456 3.910 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 ZINC000005151500 556642876 /nfs/dbraw/zinc/64/28/76/556642876.db2.gz BCONHDFCOSPNHQ-GPUOULLFSA-N 0 0 430.589 3.821 50 0 IHAARN CC[C@@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C)on1 ZINC000016808176 556644700 /nfs/dbraw/zinc/64/47/00/556644700.db2.gz GLHMGNPORDZFEK-CYBMUJFWSA-N 0 0 436.877 3.739 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1ccc2c(c1)OCO2 ZINC000038486978 556647642 /nfs/dbraw/zinc/64/76/42/556647642.db2.gz QTQNPIQVEXICNO-UHFFFAOYSA-N 0 0 444.476 3.504 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)c(OC)c1 ZINC000038487607 556649309 /nfs/dbraw/zinc/64/93/09/556649309.db2.gz MCLVVENOWMIMIP-UHFFFAOYSA-N 0 0 429.480 3.585 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3ccc(NC(=O)c4ccco4)nn3)sc2c1 ZINC000011739247 556649337 /nfs/dbraw/zinc/64/93/37/556649337.db2.gz XWMRSDTVQOUBPI-UHFFFAOYSA-N 0 0 425.495 3.971 50 0 IHAARN CC(=O)Nc1ccc(C(=O)NCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000011739586 556649669 /nfs/dbraw/zinc/64/96/69/556649669.db2.gz OTUDZIPGMWMJJP-UHFFFAOYSA-N 0 0 429.520 3.713 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000011743791 556649821 /nfs/dbraw/zinc/64/98/21/556649821.db2.gz MULCILMUOVTTIA-GOSISDBHSA-N 0 0 443.579 3.704 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751561 556650941 /nfs/dbraw/zinc/65/09/41/556650941.db2.gz KEAFODRXIJHECG-YJYMSZOUSA-N 0 0 425.510 3.851 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)c1 ZINC000011751626 556651133 /nfs/dbraw/zinc/65/11/33/556651133.db2.gz MZKMRYSQHUCJKR-LJQANCHMSA-N 0 0 425.510 3.769 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)c1 ZINC000011751625 556651177 /nfs/dbraw/zinc/65/11/77/556651177.db2.gz MZKMRYSQHUCJKR-IBGZPJMESA-N 0 0 425.510 3.769 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 ZINC000011758482 556652956 /nfs/dbraw/zinc/65/29/56/556652956.db2.gz CMKLHMNSOQXNFS-UHFFFAOYSA-N 0 0 438.488 3.538 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)CCSc1ccc(F)cc1 ZINC000032999592 556653030 /nfs/dbraw/zinc/65/30/30/556653030.db2.gz VGUOXRRAJPHLOD-UHFFFAOYSA-N 0 0 445.516 3.610 50 0 IHAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033005193 556654823 /nfs/dbraw/zinc/65/48/23/556654823.db2.gz LRLPJLRZVJFUDF-UHFFFAOYSA-N 0 0 428.579 3.852 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032925905 556655189 /nfs/dbraw/zinc/65/51/89/556655189.db2.gz IXFVOHLHNAWDQW-YOEHRIQHSA-N 0 0 444.391 3.565 50 0 IHAARN COc1ccc(C(F)(F)F)cc1NC(=O)CCCSc1ccc(NC(C)=O)nn1 ZINC000011793476 556656272 /nfs/dbraw/zinc/65/62/72/556656272.db2.gz FGAHDOLRRZVXNR-UHFFFAOYSA-N 0 0 428.436 3.973 50 0 IHAARN CC1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5Cl)n4n3)CC2)CC1 ZINC000033010180 556658103 /nfs/dbraw/zinc/65/81/03/556658103.db2.gz CAPIDYAYUKUVNS-UHFFFAOYSA-N 0 0 438.963 3.920 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCc1ccc(F)cc1 ZINC000033011526 556659315 /nfs/dbraw/zinc/65/93/15/556659315.db2.gz WCGZLVGJCVCVCL-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN CCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000033011812 556659589 /nfs/dbraw/zinc/65/95/89/556659589.db2.gz MZQGHEAGKCFMGX-UHFFFAOYSA-N 0 0 442.566 3.906 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000011854400 556661805 /nfs/dbraw/zinc/66/18/05/556661805.db2.gz WETSUSZUKAMFQM-UHFFFAOYSA-N 0 0 441.900 3.907 50 0 IHAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(-c3noc(C(C)(C)C)n3)c2)cc1 ZINC000033013424 556664025 /nfs/dbraw/zinc/66/40/25/556664025.db2.gz BYWNBYXVSFDOMY-UHFFFAOYSA-N 0 0 445.541 3.872 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2oc1=O ZINC000011866771 556667035 /nfs/dbraw/zinc/66/70/35/556667035.db2.gz QLEJCKJAWSYWRH-UHFFFAOYSA-N 0 0 429.856 3.796 50 0 IHAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccc(Br)cc2s1 ZINC000010618889 556668839 /nfs/dbraw/zinc/66/88/39/556668839.db2.gz NKSWFRJVEMDQJL-UHFFFAOYSA-N 0 0 425.329 3.612 50 0 IHAARN O=C(CS(=O)(=O)Cc1ccccc1)N(C[C@@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000010620149 556675688 /nfs/dbraw/zinc/67/56/88/556675688.db2.gz KFPLKAFGWGPVFJ-INIZCTEOSA-N 0 0 448.541 3.562 50 0 IHAARN O=C(CS(=O)(=O)Cc1ccccc1)N(Cc1cccnc1)c1nc2ccccc2s1 ZINC000010620038 556676933 /nfs/dbraw/zinc/67/69/33/556676933.db2.gz UHADEQMPLHKTNO-UHFFFAOYSA-N 0 0 437.546 3.840 50 0 IHAARN Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1C ZINC000017987018 556680745 /nfs/dbraw/zinc/68/07/45/556680745.db2.gz JIDICQFXFCGUHH-BOWFFMLLSA-N 0 0 425.525 3.763 50 0 IHAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)[nH]c(=O)c1C ZINC000012008211 556680746 /nfs/dbraw/zinc/68/07/46/556680746.db2.gz HPQZEFPOKLUEEV-UHFFFAOYSA-N 0 0 427.823 3.877 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NCc1cccs1 ZINC000012019021 556681597 /nfs/dbraw/zinc/68/15/97/556681597.db2.gz LEIKDBXBXATMST-CYBMUJFWSA-N 0 0 435.908 3.956 50 0 IHAARN COc1cc(CC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000010639261 556686620 /nfs/dbraw/zinc/68/66/20/556686620.db2.gz SVIZCUFKICHOOM-CYBMUJFWSA-N 0 0 433.455 3.920 50 0 IHAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177629 556686719 /nfs/dbraw/zinc/68/67/19/556686719.db2.gz ZRKNNIRIZJGKFF-UHFFFAOYSA-N 0 0 431.536 3.776 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 ZINC000018244697 556687904 /nfs/dbraw/zinc/68/79/04/556687904.db2.gz WOJFIYOWTOKWHS-XKPGHWPRSA-N 0 0 446.503 3.571 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 ZINC000018244693 556687942 /nfs/dbraw/zinc/68/79/42/556687942.db2.gz AZDCWFCABWWOPR-XKPGHWPRSA-N 0 0 446.503 3.571 50 0 IHAARN COc1ccc([C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 ZINC000252494096 556690560 /nfs/dbraw/zinc/69/05/60/556690560.db2.gz NKUGFASIDMSWML-IFMALSPDSA-N 0 0 439.512 3.627 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 ZINC000033024252 556694766 /nfs/dbraw/zinc/69/47/66/556694766.db2.gz UOCIFMDWKQNPCF-IBGZPJMESA-N 0 0 447.944 3.767 50 0 IHAARN COc1ccc(-c2cc3ccc(OCCN4C[C@@H](C)O[C@@H](C)C4)cc3oc2=O)cc1OC ZINC000013608085 556702889 /nfs/dbraw/zinc/70/28/89/556702889.db2.gz JHPNABKDGOFUMU-CALCHBBNSA-N 0 0 439.508 3.965 50 0 IHAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)cc1Cl ZINC000033026725 556703515 /nfs/dbraw/zinc/70/35/15/556703515.db2.gz ZSIJRDAAMPICSS-UHFFFAOYSA-N 0 0 433.917 3.545 50 0 IHAARN Cc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1C ZINC000033037488 556722457 /nfs/dbraw/zinc/72/24/57/556722457.db2.gz BMNFQEUXTVZBLI-UHFFFAOYSA-N 0 0 435.503 3.733 50 0 IHAARN O=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCSCC1 ZINC000072328367 556725212 /nfs/dbraw/zinc/72/52/12/556725212.db2.gz KRRFVOOBMOGWBW-UHFFFAOYSA-N 0 0 435.553 3.590 50 0 IHAARN O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1 ZINC000072328693 556726516 /nfs/dbraw/zinc/72/65/16/556726516.db2.gz QBQZITRMKLMUNK-UHFFFAOYSA-N 0 0 429.293 3.941 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2C1=O ZINC000011145617 556729192 /nfs/dbraw/zinc/72/91/92/556729192.db2.gz MCWFPPLAOZAVNM-UHFFFAOYSA-N 0 0 445.475 3.858 50 0 IHAARN COc1ccc(CCNC(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000072331943 556731038 /nfs/dbraw/zinc/73/10/38/556731038.db2.gz AEUZBXHJACCTJA-UHFFFAOYSA-N 0 0 436.537 3.888 50 0 IHAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000019299839 556735167 /nfs/dbraw/zinc/73/51/67/556735167.db2.gz DXIDIPQPDSAOAE-LJQANCHMSA-N 0 0 429.586 3.862 50 0 IHAARN CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 ZINC000055119934 556735230 /nfs/dbraw/zinc/73/52/30/556735230.db2.gz XITJOIFERHRHGM-HXUWFJFHSA-N 0 0 431.602 3.501 50 0 IHAARN Cc1cccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000019313342 556735567 /nfs/dbraw/zinc/73/55/67/556735567.db2.gz CQRVPKXVZROGPC-UHFFFAOYSA-N 0 0 440.515 3.769 50 0 IHAARN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCOc3ccccc32)c1Cl ZINC000078869531 556735814 /nfs/dbraw/zinc/73/58/14/556735814.db2.gz NTSMOCMMPYLLTI-CQSZACIVSA-N 0 0 444.336 3.667 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cn2cc(C)ccc2n1 ZINC000078800466 556736697 /nfs/dbraw/zinc/73/66/97/556736697.db2.gz WWDIZNRFKUTQAQ-UHFFFAOYSA-N 0 0 428.558 3.828 50 0 IHAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)Cc1ccccc1Cl ZINC000055169135 556736971 /nfs/dbraw/zinc/73/69/71/556736971.db2.gz WJSNXWRFBXEDKS-LJQANCHMSA-N 0 0 437.993 3.531 50 0 IHAARN COc1cc2c3cnn(Cc4cccc(Br)c4)c(=O)c3n(C)c2cc1OC ZINC000079480890 556738731 /nfs/dbraw/zinc/73/87/31/556738731.db2.gz JNMOGEFNTGLEHG-UHFFFAOYSA-N 0 0 428.286 3.716 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)s4)no3)CC2)cc1F ZINC000080344580 556739012 /nfs/dbraw/zinc/73/90/12/556739012.db2.gz RQWGAQNTUAPIEX-UHFFFAOYSA-N 0 0 437.518 3.823 50 0 IHAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCCc4cccc(C)c4)c3C2=O)CC1 ZINC000009838882 556744072 /nfs/dbraw/zinc/74/40/72/556744072.db2.gz LDXKSQSUHDRXGR-UHFFFAOYSA-N 0 0 449.551 3.544 50 0 IHAARN COc1ccc(F)cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C ZINC000057958149 556749904 /nfs/dbraw/zinc/74/99/04/556749904.db2.gz BKBKFUMYNUCDDV-XMMPIXPASA-N 0 0 440.471 3.513 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1OCC ZINC000072333874 556750399 /nfs/dbraw/zinc/75/03/99/556750399.db2.gz MINYMPGQNMPICI-UHFFFAOYSA-N 0 0 425.403 3.976 50 0 IHAARN Cc1ccc(-n2c(SC[C@H](O)COc3ccc(F)cc3)nnc2N2CCCC2)cc1 ZINC000057996522 556751830 /nfs/dbraw/zinc/75/18/30/556751830.db2.gz FJSCPNHBMCDUHW-LJQANCHMSA-N 0 0 428.533 3.847 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1OC ZINC000057997417 556751850 /nfs/dbraw/zinc/75/18/50/556751850.db2.gz XEZMYHRFBHEZIV-OAHLLOKOSA-N 0 0 433.892 3.743 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000058010117 556753106 /nfs/dbraw/zinc/75/31/06/556753106.db2.gz KLBZQTSBURZRCC-LJQANCHMSA-N 0 0 426.586 3.692 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000058017440 556754312 /nfs/dbraw/zinc/75/43/12/556754312.db2.gz QREZDNDUAFXPEP-KKSFZXQISA-N 0 0 440.521 3.526 50 0 IHAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011163677 556759681 /nfs/dbraw/zinc/75/96/81/556759681.db2.gz QYHYBLGGBYOXPF-UHFFFAOYSA-N 0 0 448.544 3.501 50 0 IHAARN COc1cc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c(C(=O)N2CCCC2)cc1OC ZINC000058133678 556760259 /nfs/dbraw/zinc/76/02/59/556760259.db2.gz FUPPTNZLPMUBKW-LPHOPBHVSA-N 0 0 433.549 3.657 50 0 IHAARN O=C1C[C@]2(CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21 ZINC000096367678 556760316 /nfs/dbraw/zinc/76/03/16/556760316.db2.gz XRZDXAUFMRNBKE-IBGZPJMESA-N 0 0 425.428 3.645 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4ccnc4)CC3)cc2)cc1C ZINC000058142620 556761379 /nfs/dbraw/zinc/76/13/79/556761379.db2.gz ZFJBJFDBCQOVLB-UHFFFAOYSA-N 0 0 438.553 3.778 50 0 IHAARN CCOc1ccc(C(=O)N2CCCN(c3cc(-c4ccc5c(c4)OCO5)[nH]n3)CC2)cc1 ZINC000062007399 556765652 /nfs/dbraw/zinc/76/56/52/556765652.db2.gz OSIKSFHGKGQMJC-UHFFFAOYSA-N 0 0 434.496 3.557 50 0 IHAARN COc1cc(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc(OC)c1 ZINC000062007354 556765686 /nfs/dbraw/zinc/76/56/86/556765686.db2.gz FXWMOJFGMUFWGJ-UHFFFAOYSA-N 0 0 431.492 3.816 50 0 IHAARN CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(-n3cccn3)nc2)CCCCCC1 ZINC000058171598 556768357 /nfs/dbraw/zinc/76/83/57/556768357.db2.gz XLRWQJXCNGBMPZ-UHFFFAOYSA-N 0 0 442.564 3.684 50 0 IHAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000058174519 556769229 /nfs/dbraw/zinc/76/92/29/556769229.db2.gz KCZGZPDLXITNHP-UHFFFAOYSA-N 0 0 442.475 3.889 50 0 IHAARN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1cccc(C(=O)N2CCCCC2)c1 ZINC000058200928 556770863 /nfs/dbraw/zinc/77/08/63/556770863.db2.gz MYQRNLUFVQOIQO-UHFFFAOYSA-N 0 0 425.920 3.613 50 0 IHAARN COc1ccccc1[C@H](CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000058246427 556775230 /nfs/dbraw/zinc/77/52/30/556775230.db2.gz AXUPFOSQKNVZIS-IBGZPJMESA-N 0 0 442.503 3.971 50 0 IHAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@@H]4CCCO4)o3)s2)c1C ZINC000058305021 556778875 /nfs/dbraw/zinc/77/88/75/556778875.db2.gz NUDRWWMOTBSLBY-ZDUSSCGKSA-N 0 0 432.531 3.864 50 0 IHAARN CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000058305378 556779100 /nfs/dbraw/zinc/77/91/00/556779100.db2.gz GJNXRODSASCUHH-GOSISDBHSA-N 0 0 435.307 3.897 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC2CCN(C(C)=O)CC2)cc1 ZINC000058312108 556779809 /nfs/dbraw/zinc/77/98/09/556779809.db2.gz WJWLRUGABRCSEG-UHFFFAOYSA-N 0 0 433.508 3.963 50 0 IHAARN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000058392570 556784872 /nfs/dbraw/zinc/78/48/72/556784872.db2.gz FUBJSBBXOKQIPE-UHFFFAOYSA-N 0 0 448.541 3.579 50 0 IHAARN Cc1c(NC(=O)NCc2cccnc2N2CCOCC2)cccc1NC(=O)c1ccccc1 ZINC000058393811 556785175 /nfs/dbraw/zinc/78/51/75/556785175.db2.gz TUDZHJJFMUQARM-UHFFFAOYSA-N 0 0 445.523 3.801 50 0 IHAARN O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000058402519 556785317 /nfs/dbraw/zinc/78/53/17/556785317.db2.gz PJLMCMOPZZEENE-KUHUBIRLSA-N 0 0 438.471 3.766 50 0 IHAARN O=C(COc1ccccc1C(F)(F)F)NCc1cn2cc(Br)ccc2n1 ZINC000058402382 556785328 /nfs/dbraw/zinc/78/53/28/556785328.db2.gz FYCHKDVUIXYPRS-UHFFFAOYSA-N 0 0 428.208 3.811 50 0 IHAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c3c2CCC3)cc1 ZINC000058439593 556788776 /nfs/dbraw/zinc/78/87/76/556788776.db2.gz YDTWSLNKRCIUHP-UHFFFAOYSA-N 0 0 443.551 3.623 50 0 IHAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 ZINC000011181615 556791716 /nfs/dbraw/zinc/79/17/16/556791716.db2.gz WWSGBIKVUXVROT-UHFFFAOYSA-N 0 0 447.607 3.979 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)CSc3nnnn3-c3cccc(F)c3)c2)cs1 ZINC000019542245 556794483 /nfs/dbraw/zinc/79/44/83/556794483.db2.gz BKCWNIATELHIQS-UHFFFAOYSA-N 0 0 426.502 3.964 50 0 IHAARN CN(CCCC(=O)N1CCCCC[C@@H]1c1ccncc1)S(=O)(=O)c1ccc(F)cc1 ZINC000059254065 556796122 /nfs/dbraw/zinc/79/61/22/556796122.db2.gz MMASGWGGHUPAGO-OAQYLSRUSA-N 0 0 433.549 3.765 50 0 IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000059288995 556796957 /nfs/dbraw/zinc/79/69/57/556796957.db2.gz CQEKMZQKJRBZLD-SFHVURJKSA-N 0 0 432.542 3.909 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 ZINC000001920992 556797748 /nfs/dbraw/zinc/79/77/48/556797748.db2.gz NRCHEJOXMMXDQG-UHFFFAOYSA-N 0 0 445.096 3.912 50 0 IHAARN O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 ZINC000059421137 556800398 /nfs/dbraw/zinc/80/03/98/556800398.db2.gz HYRBFAWHQTVQBA-VWLOTQADSA-N 0 0 427.460 3.669 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 ZINC000002725829 556803295 /nfs/dbraw/zinc/80/32/95/556803295.db2.gz MRLYEZNSKZARHJ-OXQOHEQNSA-N 0 0 430.932 3.905 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000033052784 556803454 /nfs/dbraw/zinc/80/34/54/556803454.db2.gz HLDYVFOHDXGDPO-UHFFFAOYSA-N 0 0 447.988 3.655 50 0 IHAARN CCOc1c(Cl)cc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1OC ZINC000059781426 556804455 /nfs/dbraw/zinc/80/44/55/556804455.db2.gz RKCSDJZYLITDRT-HXUWFJFHSA-N 0 0 430.932 3.900 50 0 IHAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4ccncc4)cs3)n2)cc1 ZINC000061717672 556811057 /nfs/dbraw/zinc/81/10/57/556811057.db2.gz PZNUQSMWBFBVRU-UHFFFAOYSA-N 0 0 435.534 3.789 50 0 IHAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003368818 556812009 /nfs/dbraw/zinc/81/20/09/556812009.db2.gz GXMKDLNTKNNYNR-ZZXKWVIFSA-N 0 0 430.157 3.559 50 0 IHAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCN(C(=O)Nc2ccccc2Cl)C4)cc1 ZINC000097942016 556812771 /nfs/dbraw/zinc/81/27/71/556812771.db2.gz QSAFWTOGHNLECE-UHFFFAOYSA-N 0 0 449.898 3.942 50 0 IHAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1F ZINC000003390090 556814139 /nfs/dbraw/zinc/81/41/39/556814139.db2.gz LGEXNJAPLCHCBK-UHFFFAOYSA-N 0 0 429.469 3.670 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(SCc3ccc(C(=O)OC)o3)s2)o1 ZINC000003395080 556814174 /nfs/dbraw/zinc/81/41/74/556814174.db2.gz GHGTXWUTPYFTED-UHFFFAOYSA-N 0 0 426.497 3.882 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033061377 556817028 /nfs/dbraw/zinc/81/70/28/556817028.db2.gz CDBXPINZGKRVTP-UHFFFAOYSA-N 0 0 442.472 3.678 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063200 556818522 /nfs/dbraw/zinc/81/85/22/556818522.db2.gz OOSGNGALFHBSLC-GAJHUEQPSA-N 0 0 435.549 3.840 50 0 IHAARN NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)ccc1F ZINC000033063463 556818757 /nfs/dbraw/zinc/81/87/57/556818757.db2.gz VJJBPHHMISNENU-OUKQBFOZSA-N 0 0 439.468 3.590 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067841 556819776 /nfs/dbraw/zinc/81/97/76/556819776.db2.gz NVFVWHMJVUDRJI-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033068308 556821954 /nfs/dbraw/zinc/82/19/54/556821954.db2.gz BPPIQKYMEIHASK-UHFFFAOYSA-N 0 0 429.476 3.853 50 0 IHAARN C[C@H](NC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)c1ccccc1 ZINC000033068547 556824432 /nfs/dbraw/zinc/82/44/32/556824432.db2.gz MOYUZNNVPSPNEO-KRWDZBQOSA-N 0 0 447.922 3.742 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)NCc4ccccc4Cl)nnc3c2=O)c1 ZINC000064591516 556825153 /nfs/dbraw/zinc/82/51/53/556825153.db2.gz YBEZSXNJIRPYMM-UHFFFAOYSA-N 0 0 449.942 3.790 50 0 IHAARN Cc1c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)nnn1-c1ccc(C)cc1 ZINC000062514294 556827045 /nfs/dbraw/zinc/82/70/45/556827045.db2.gz QWHZJCRHUQKERF-IBGZPJMESA-N 0 0 441.329 3.860 50 0 IHAARN COCCNC(=O)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816826 556827587 /nfs/dbraw/zinc/82/75/87/556827587.db2.gz WJFZHLZEJGSSOI-UHFFFAOYSA-N 0 0 438.915 3.517 50 0 IHAARN O=S(=O)(c1ccc(-c2cnc(C3CCCC3)o2)s1)N1CCN(c2ccccn2)CC1 ZINC000065004760 556831914 /nfs/dbraw/zinc/83/19/14/556831914.db2.gz SFSLARAVLUMVND-UHFFFAOYSA-N 0 0 444.582 3.967 50 0 IHAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 ZINC000065362132 556834030 /nfs/dbraw/zinc/83/40/30/556834030.db2.gz PPQLATKWNQSHDH-LJQANCHMSA-N 0 0 432.528 3.834 50 0 IHAARN COc1ccccc1N1CCN(CC(=O)N2c3cc4c(cc3C(C)=CC2(C)C)OCO4)CC1 ZINC000334160473 556836739 /nfs/dbraw/zinc/83/67/39/556836739.db2.gz FMIMCWSOQLOACE-UHFFFAOYSA-N 0 0 449.551 3.775 50 0 IHAARN Cc1ccc(CC(=O)NC(=S)NC[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000096602147 556837820 /nfs/dbraw/zinc/83/78/20/556837820.db2.gz KLMJRYWDNRLSGT-APNVUFTPSA-N 0 0 444.641 3.512 50 0 IHAARN O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997483 556838592 /nfs/dbraw/zinc/83/85/92/556838592.db2.gz SLXMVHNNULWZJR-UHFFFAOYSA-N 0 0 429.517 3.570 50 0 IHAARN COCCn1ccc2c1cccc2NC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1C ZINC000072405060 556839545 /nfs/dbraw/zinc/83/95/45/556839545.db2.gz DESXYJFLIMUVDN-UHFFFAOYSA-N 0 0 445.519 3.976 50 0 IHAARN COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1COC(C)(C)OC ZINC000066331787 556840041 /nfs/dbraw/zinc/84/00/41/556840041.db2.gz BCCJZUBUYPSVEN-OUUKCGNVSA-N 0 0 430.582 3.808 50 0 IHAARN COc1ccc(C2(CNC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)CCOCC2)cc1 ZINC000072405265 556840288 /nfs/dbraw/zinc/84/02/88/556840288.db2.gz NGQYYVBQXKNCEW-UHFFFAOYSA-N 0 0 436.556 3.887 50 0 IHAARN CC(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000022998585 556841076 /nfs/dbraw/zinc/84/10/76/556841076.db2.gz REFUWWWKVNCZRV-UHFFFAOYSA-N 0 0 445.491 3.756 50 0 IHAARN CC(C)Oc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019648379 556841359 /nfs/dbraw/zinc/84/13/59/556841359.db2.gz JFGKSAXQOXDAHU-LFYBBSHMSA-N 0 0 448.972 3.674 50 0 IHAARN Cc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000067630469 556845523 /nfs/dbraw/zinc/84/55/23/556845523.db2.gz KVMVNVGFKIPGHL-UHFFFAOYSA-N 0 0 434.883 3.542 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2 ZINC000008765204 556845870 /nfs/dbraw/zinc/84/58/70/556845870.db2.gz VKEAOWZHSKPVLJ-UHFFFAOYSA-N 0 0 449.503 3.571 50 0 biogenic IHAARN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000067712719 556846419 /nfs/dbraw/zinc/84/64/19/556846419.db2.gz DYZRSGVODIMBJK-UHFFFAOYSA-N 0 0 441.597 3.966 50 0 IHAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000096845427 556847757 /nfs/dbraw/zinc/84/77/57/556847757.db2.gz QKVNAISVOYKUNZ-INIZCTEOSA-N 0 0 436.419 3.848 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(NC(=O)COc3ccccc3C)s2)cc1 ZINC000008883188 556850811 /nfs/dbraw/zinc/85/08/11/556850811.db2.gz GKCANYJIGIINGN-UHFFFAOYSA-N 0 0 429.523 3.943 50 0 IHAARN COc1ccc(C)c2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc21 ZINC000008897745 556851172 /nfs/dbraw/zinc/85/11/72/556851172.db2.gz SGDZFZMHKBLEQV-HNNXBMFYSA-N 0 0 449.529 3.544 50 0 IHAARN COc1ccc(CCNC(=O)C2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1OC ZINC000033071120 556851526 /nfs/dbraw/zinc/85/15/26/556851526.db2.gz DDMHIXJEWMDUNR-UHFFFAOYSA-N 0 0 442.947 3.809 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)c1 ZINC000033071302 556851536 /nfs/dbraw/zinc/85/15/36/556851536.db2.gz OUFXDJHJNAKHKU-OAHLLOKOSA-N 0 0 443.345 3.867 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1OC ZINC000033071414 556851822 /nfs/dbraw/zinc/85/18/22/556851822.db2.gz SWSZSVIJXKHNKC-MRXNPFEDSA-N 0 0 442.947 3.809 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCc5cccs5)CC4)c32)cc1 ZINC000033084903 556855076 /nfs/dbraw/zinc/85/50/76/556855076.db2.gz FWZVSTFVEHVTNZ-UHFFFAOYSA-N 0 0 449.536 3.888 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(CC)c4ccccc4)CC3)c2c1 ZINC000033088014 556855792 /nfs/dbraw/zinc/85/57/92/556855792.db2.gz CQHFPICRYBOGSZ-UHFFFAOYSA-N 0 0 433.552 3.526 50 0 IHAARN COc1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1OC ZINC000033088430 556856475 /nfs/dbraw/zinc/85/64/75/556856475.db2.gz IGTBEJJKVFUATB-UHFFFAOYSA-N 0 0 433.346 3.673 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4cccs4)CC3)s2)cc1 ZINC000033113958 556860674 /nfs/dbraw/zinc/86/06/74/556860674.db2.gz WRWFAEYLQSIUPE-UHFFFAOYSA-N 0 0 428.539 3.880 50 0 IHAARN O=C(COc1ccccc1)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1 ZINC000033114019 556860910 /nfs/dbraw/zinc/86/09/10/556860910.db2.gz ILQZOMXCRMYLLM-UHFFFAOYSA-N 0 0 440.500 3.715 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc(COc2ccc(C(=O)NC3CC3)cc2)s1 ZINC000033114252 556861220 /nfs/dbraw/zinc/86/12/20/556861220.db2.gz PLOSSCOERWPEOX-UHFFFAOYSA-N 0 0 428.901 3.915 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128168 556864998 /nfs/dbraw/zinc/86/49/98/556864998.db2.gz HYLBGEGCHZDHSQ-OAHLLOKOSA-N 0 0 443.956 4.000 50 0 IHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129762 556868970 /nfs/dbraw/zinc/86/89/70/556868970.db2.gz CQVNOKSYFHYJBZ-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN O=C1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000019720676 556876253 /nfs/dbraw/zinc/87/62/53/556876253.db2.gz AIPMLXQHSUKNLN-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN CCCOc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000011227685 556876284 /nfs/dbraw/zinc/87/62/84/556876284.db2.gz MMCVPFWGLDYKJK-MRXNPFEDSA-N 0 0 440.496 3.967 50 0 IHAARN OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccc(F)c(F)c1 ZINC000019731987 556876732 /nfs/dbraw/zinc/87/67/32/556876732.db2.gz SLNPATYXOBOECV-HXUWFJFHSA-N 0 0 440.494 3.616 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033141788 556878278 /nfs/dbraw/zinc/87/82/78/556878278.db2.gz VYAGBHLNLBHYPI-UHFFFAOYSA-N 0 0 430.507 3.612 50 0 IHAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000015954335 556880639 /nfs/dbraw/zinc/88/06/39/556880639.db2.gz IWUZQZGLZRNHSL-IZHWHUGBSA-N 0 0 445.943 3.858 50 0 biogenic IHAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)N3CCN(c4ccccc4F)CC3)c2c1 ZINC000033172550 556882744 /nfs/dbraw/zinc/88/27/44/556882744.db2.gz WBXDHHGKOSWYMB-UHFFFAOYSA-N 0 0 435.528 4.000 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@H](C(=O)NCc2cccc(Br)c2)C1 ZINC000033173329 556883235 /nfs/dbraw/zinc/88/32/35/556883235.db2.gz ZPFVAOGXEHWSTN-INIZCTEOSA-N 0 0 442.361 3.572 50 0 IHAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc4c(c3)OCO4)c2cc1OC ZINC000033172818 556883269 /nfs/dbraw/zinc/88/32/69/556883269.db2.gz QDZFAMOHGQUEKR-UHFFFAOYSA-N 0 0 438.465 3.588 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000033169431 556884538 /nfs/dbraw/zinc/88/45/38/556884538.db2.gz BVYUCRAUJZARSA-UHFFFAOYSA-N 0 0 429.473 3.647 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000033169434 556884558 /nfs/dbraw/zinc/88/45/58/556884558.db2.gz ICWNEKMHKGTZQV-UHFFFAOYSA-N 0 0 429.473 3.647 50 0 IHAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1=O ZINC000033169739 556884897 /nfs/dbraw/zinc/88/48/97/556884897.db2.gz SVPGGJCVPICPHH-UHFFFAOYSA-N 0 0 447.539 3.800 50 0 IHAARN Cn1c(=O)c(N2CCC(NC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc2ccccc21 ZINC000033169710 556884945 /nfs/dbraw/zinc/88/49/45/556884945.db2.gz OLSKZDQHOXMDCL-UHFFFAOYSA-N 0 0 429.883 3.517 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)NC3CCCC3)CC2)c1C ZINC000033170135 556885566 /nfs/dbraw/zinc/88/55/66/556885566.db2.gz OTKGHYYBHRHVFN-UHFFFAOYSA-N 0 0 425.602 3.571 50 0 IHAARN Cc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC1CCCCC1 ZINC000033170728 556886331 /nfs/dbraw/zinc/88/63/31/556886331.db2.gz GUGIWRAZHYFAML-UHFFFAOYSA-N 0 0 438.549 3.592 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)c(C)c1 ZINC000033249344 556889169 /nfs/dbraw/zinc/88/91/69/556889169.db2.gz QWKBRGMUPKXUJQ-UHFFFAOYSA-N 0 0 444.940 3.810 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000019743937 556889136 /nfs/dbraw/zinc/88/91/36/556889136.db2.gz FYHNUJZFJUWNJX-NRFANRHFSA-N 0 0 435.572 3.763 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1F ZINC000033249439 556889296 /nfs/dbraw/zinc/88/92/96/556889296.db2.gz KJSCNJHVYVDYDE-UHFFFAOYSA-N 0 0 448.903 3.641 50 0 IHAARN CCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000033254584 556890781 /nfs/dbraw/zinc/89/07/81/556890781.db2.gz VZBFRLHJUYBEGY-UHFFFAOYSA-N 0 0 430.570 3.501 50 0 IHAARN Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nn21 ZINC000033260189 556896885 /nfs/dbraw/zinc/89/68/85/556896885.db2.gz BHYWUJHVJYRNIC-UHFFFAOYSA-N 0 0 426.524 3.633 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)nc1 ZINC000072139989 556899340 /nfs/dbraw/zinc/89/93/40/556899340.db2.gz ZOWXNARAZSLTPJ-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000019792124 556915550 /nfs/dbraw/zinc/91/55/50/556915550.db2.gz GGDQRBUORPFEGQ-UHFFFAOYSA-N 0 0 438.480 3.870 50 0 IHAARN O=C(c1cccnc1)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21 ZINC000019819225 556922076 /nfs/dbraw/zinc/92/20/76/556922076.db2.gz URYOTHDSLGSDTD-UHFFFAOYSA-N 0 0 425.485 3.756 50 0 IHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000019868617 556935278 /nfs/dbraw/zinc/93/52/78/556935278.db2.gz QIRPCGSFJVLZEI-UHFFFAOYSA-N 0 0 430.957 3.879 50 0 IHAARN O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O ZINC000019913973 556943591 /nfs/dbraw/zinc/94/35/91/556943591.db2.gz WFCNLVUDPMVFRO-UHFFFAOYSA-N 0 0 425.238 3.773 50 0 IHAARN CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O ZINC000019939439 556953314 /nfs/dbraw/zinc/95/33/14/556953314.db2.gz PILDEHQGJXXUBZ-QFIPXVFZSA-N 0 0 431.458 3.939 50 0 IHAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCCC1 ZINC000019972660 556956546 /nfs/dbraw/zinc/95/65/46/556956546.db2.gz XYPZWRISHPWVPR-UHFFFAOYSA-N 0 0 425.558 3.528 50 0 IHAARN O=C(NCCSc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020014203 556961253 /nfs/dbraw/zinc/96/12/53/556961253.db2.gz QORPIYXWGSEXCL-UHFFFAOYSA-N 0 0 445.031 3.711 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020045513 556973093 /nfs/dbraw/zinc/97/30/93/556973093.db2.gz MLCWKWWWOFXTJY-UHFFFAOYSA-N 0 0 441.380 3.502 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000020057626 556975084 /nfs/dbraw/zinc/97/50/84/556975084.db2.gz HXFHNYJDUMJNIG-QFIPXVFZSA-N 0 0 441.959 3.579 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000020066075 556978446 /nfs/dbraw/zinc/97/84/46/556978446.db2.gz VPMYOTXHZFQZJW-UHFFFAOYSA-N 0 0 449.902 3.761 50 0 IHAARN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C2CC2)cc1 ZINC000011234587 556979109 /nfs/dbraw/zinc/97/91/09/556979109.db2.gz RNHUEVDOKHPVOC-JOCHJYFZSA-N 0 0 430.545 3.802 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)cc1 ZINC000011234657 556979167 /nfs/dbraw/zinc/97/91/67/556979167.db2.gz YGGGLTJEGIPWFH-QHCPKHFHSA-N 0 0 442.581 3.672 50 0 IHAARN CCOC(=O)N1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000020109862 556984839 /nfs/dbraw/zinc/98/48/39/556984839.db2.gz OZJWNKADMFMNNX-GKWUYRECSA-N 0 0 442.600 3.668 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1OC ZINC000033268559 556985093 /nfs/dbraw/zinc/98/50/93/556985093.db2.gz BAMIYONUFOVHEP-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000097105736 556987909 /nfs/dbraw/zinc/98/79/09/556987909.db2.gz MFQHIBYRIUUNKK-NRFANRHFSA-N 0 0 429.542 3.791 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(CC)c4cccc(C)c4)CC3)c2c1 ZINC000020213079 556999013 /nfs/dbraw/zinc/99/90/13/556999013.db2.gz MPUDPQKQYSMQRL-UHFFFAOYSA-N 0 0 447.579 3.835 50 0 IHAARN Cc1nc(N2CCC(C(=O)NCC[C@@H]3COc4ccccc4O3)CC2)nc2ccccc12 ZINC000020272755 557005061 /nfs/dbraw/zinc/00/50/61/557005061.db2.gz UWKFJNFHGFXQGL-LJQANCHMSA-N 0 0 432.524 3.501 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O ZINC000023125839 557007657 /nfs/dbraw/zinc/00/76/57/557007657.db2.gz ZDIFTJYCWVKYEJ-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccccc5)n4ccn3n2)cc1 ZINC000045971345 557014261 /nfs/dbraw/zinc/01/42/61/557014261.db2.gz VESXPIUEXQANOY-UHFFFAOYSA-N 0 0 428.521 3.761 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)CCc4ccccc4)c3C)cc(=O)n2o1 ZINC000045995869 557015547 /nfs/dbraw/zinc/01/55/47/557015547.db2.gz INYDREQBPXMXEJ-UHFFFAOYSA-N 0 0 445.475 3.833 50 0 IHAARN COc1ccc(CNC(=O)COc2cc(C)c3c(C)nn(-c4cccc(F)c4)c3n2)cc1 ZINC000045990963 557016772 /nfs/dbraw/zinc/01/67/72/557016772.db2.gz MAHOHKLUNRKLGQ-UHFFFAOYSA-N 0 0 434.471 3.880 50 0 IHAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N2CCOCC2)cc3C(F)(F)F)cc1 ZINC000045991322 557017035 /nfs/dbraw/zinc/01/70/35/557017035.db2.gz MFCNGHLKKQZLQF-UHFFFAOYSA-N 0 0 448.445 3.548 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(OC)c1 ZINC000045992504 557018208 /nfs/dbraw/zinc/01/82/08/557018208.db2.gz WIHWMXITEUPMHU-LLVKDONJSA-N 0 0 438.406 3.719 50 0 IHAARN CCOC(=O)c1sc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)nc1C ZINC000023137971 557018316 /nfs/dbraw/zinc/01/83/16/557018316.db2.gz RSZCXRJSOIKSGP-UHFFFAOYSA-N 0 0 444.538 3.597 50 0 IHAARN CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)cc1 ZINC000046012543 557018882 /nfs/dbraw/zinc/01/88/82/557018882.db2.gz DLUFOAKECWROOQ-UHFFFAOYSA-N 0 0 442.526 3.946 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NC[C@@H]2CCCO2)nnc3C(C)C)cc1C ZINC000023137816 557019825 /nfs/dbraw/zinc/01/98/25/557019825.db2.gz SIJFIUYOCILTLZ-SFHVURJKSA-N 0 0 439.585 3.943 50 0 IHAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)c1 ZINC000010739072 557022417 /nfs/dbraw/zinc/02/24/17/557022417.db2.gz DOHPKMBRAVIJKQ-UHFFFAOYSA-N 0 0 431.539 3.554 50 0 IHAARN COc1ccccc1N1CCN(c2nnc(SCC(=O)N(C(C)C)C(C)C)s2)CC1 ZINC000023139959 557022653 /nfs/dbraw/zinc/02/26/53/557022653.db2.gz MSGBEGCJMOMTOA-UHFFFAOYSA-N 0 0 449.646 3.611 50 0 IHAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c2c(c1=O)CCCC2 ZINC000046027539 557023502 /nfs/dbraw/zinc/02/35/02/557023502.db2.gz BSXZPHDZVBNHHM-UHFFFAOYSA-N 0 0 437.565 3.596 50 0 IHAARN Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)coc2c1C ZINC000010772679 557025867 /nfs/dbraw/zinc/02/58/67/557025867.db2.gz NLCAEAJIONNUCF-UHFFFAOYSA-N 0 0 432.567 3.755 50 0 IHAARN O=C(CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc(F)cc1F ZINC000023145338 557026887 /nfs/dbraw/zinc/02/68/87/557026887.db2.gz RSYPKNQUOOLGBV-UHFFFAOYSA-N 0 0 446.498 3.984 50 0 IHAARN O=C1Nc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2C1=C1CCCC1 ZINC000046053969 557027473 /nfs/dbraw/zinc/02/74/73/557027473.db2.gz OOUILHFJYKUUJN-UHFFFAOYSA-N 0 0 429.586 3.605 50 0 IHAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000032945121 557028287 /nfs/dbraw/zinc/02/82/87/557028287.db2.gz KDJUMERLFLIJTI-UHFFFAOYSA-N 0 0 427.460 3.732 50 0 IHAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc(O)cc1)CC(=O)N2 ZINC000046057071 557028753 /nfs/dbraw/zinc/02/87/53/557028753.db2.gz GIKGZBXSKCVZGN-MRXNPFEDSA-N 0 0 426.270 3.958 50 0 IHAARN CN(c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058488 557029460 /nfs/dbraw/zinc/02/94/60/557029460.db2.gz ODRGOFSNMMOUFQ-KRWDZBQOSA-N 0 0 430.551 3.635 50 0 IHAARN COC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157165 557029913 /nfs/dbraw/zinc/02/99/13/557029913.db2.gz YGBXKVLYBFGXJE-SFHVURJKSA-N 0 0 428.558 3.903 50 0 IHAARN COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000023157958 557030827 /nfs/dbraw/zinc/03/08/27/557030827.db2.gz MBCKHKWCAOWTED-KRWDZBQOSA-N 0 0 432.546 3.652 50 0 IHAARN COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122594 557036312 /nfs/dbraw/zinc/03/63/12/557036312.db2.gz USNGYBHBSQJRIB-AWEZNQCLSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000046124050 557037584 /nfs/dbraw/zinc/03/75/84/557037584.db2.gz FRUFUZFCXONUCM-AWEZNQCLSA-N 0 0 448.595 3.729 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000033271452 557049198 /nfs/dbraw/zinc/04/91/98/557049198.db2.gz KEEWBCFOEGVTNZ-IBGZPJMESA-N 0 0 443.511 3.722 50 0 IHAARN COc1ccc([C@H](NC(=O)CN2CCN(Cc3cccs3)CC2)c2ccccc2)cc1 ZINC000022928979 557049392 /nfs/dbraw/zinc/04/93/92/557049392.db2.gz CBFGDOVBKJXNLG-RUZDIDTESA-N 0 0 435.593 3.780 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000022929773 557049421 /nfs/dbraw/zinc/04/94/21/557049421.db2.gz JZJLVGOCQBXANO-LJQANCHMSA-N 0 0 433.556 3.925 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)cc1C ZINC000033273363 557051553 /nfs/dbraw/zinc/05/15/53/557051553.db2.gz VPBGASGYTHEIQM-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN Cc1cccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)c1 ZINC000033273371 557051559 /nfs/dbraw/zinc/05/15/59/557051559.db2.gz HVZUMXFYQOWODU-UHFFFAOYSA-N 0 0 427.892 3.668 50 0 IHAARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCNc1ncccn1 ZINC000048290367 557055115 /nfs/dbraw/zinc/05/51/15/557055115.db2.gz ZXHXPIMZWNBPEM-UHFFFAOYSA-N 0 0 432.915 3.754 50 0 IHAARN CCCCCNC(=O)C1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048290811 557055409 /nfs/dbraw/zinc/05/54/09/557055409.db2.gz JSYXTVOATPNFBT-UHFFFAOYSA-N 0 0 438.597 3.941 50 0 IHAARN Fc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)n2)cc1 ZINC000010873223 557058447 /nfs/dbraw/zinc/05/84/47/557058447.db2.gz USLVYUXJWWGKSV-INIZCTEOSA-N 0 0 430.509 3.539 50 0 IHAARN CC(C)NC(=O)C1CCN(c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)CC1 ZINC000033277190 557058790 /nfs/dbraw/zinc/05/87/90/557058790.db2.gz WFOVFVRAGKBLIS-UHFFFAOYSA-N 0 0 447.992 3.602 50 0 IHAARN CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277391 557059330 /nfs/dbraw/zinc/05/93/30/557059330.db2.gz FVIKQOLYZJJQAN-UHFFFAOYSA-N 0 0 447.564 3.913 50 0 IHAARN Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)no1 ZINC000048308987 557059459 /nfs/dbraw/zinc/05/94/59/557059459.db2.gz XIKOOLFKDXCRRE-UHFFFAOYSA-N 0 0 431.583 3.886 50 0 IHAARN COC(=O)Cn1c(=O)c2ccccc2nc1SCc1nc2ccccc2n1C(F)F ZINC000023055288 557060769 /nfs/dbraw/zinc/06/07/69/557060769.db2.gz UVKDZNQHYLOQIN-UHFFFAOYSA-N 0 0 430.436 3.607 50 0 IHAARN CCCCSCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 ZINC000023114219 557064045 /nfs/dbraw/zinc/06/40/45/557064045.db2.gz NYVIQXZITFHHTM-UHFFFAOYSA-N 0 0 427.636 3.789 50 0 IHAARN O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000048312672 557067373 /nfs/dbraw/zinc/06/73/73/557067373.db2.gz UQGGBMKLMLCECQ-UHFFFAOYSA-N 0 0 426.582 3.613 50 0 IHAARN Cc1cc(C)cc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000033281932 557067721 /nfs/dbraw/zinc/06/77/21/557067721.db2.gz BSALAOALYPBWRP-UHFFFAOYSA-N 0 0 446.477 3.917 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c(C)c1 ZINC000033282716 557068061 /nfs/dbraw/zinc/06/80/61/557068061.db2.gz DBSCZSXIMDKTKC-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000023174844 557070508 /nfs/dbraw/zinc/07/05/08/557070508.db2.gz MDQDYOZQYURWBQ-OAQYLSRUSA-N 0 0 430.932 3.801 50 0 IHAARN NC(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 ZINC000048356617 557073313 /nfs/dbraw/zinc/07/33/13/557073313.db2.gz CEYFHOFZYXKFGH-UHFFFAOYSA-N 0 0 426.270 3.917 50 0 IHAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCN(CCc2ccccc2)CC1 ZINC000048361936 557074321 /nfs/dbraw/zinc/07/43/21/557074321.db2.gz RSUSRCHFHATURO-UHFFFAOYSA-N 0 0 428.964 3.569 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3c(F)cccc3Cl)cc2s1 ZINC000033298931 557075040 /nfs/dbraw/zinc/07/50/40/557075040.db2.gz GIWBLTSQWGTWRW-UHFFFAOYSA-N 0 0 448.950 3.824 50 0 IHAARN Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1C ZINC000048375012 557076385 /nfs/dbraw/zinc/07/63/85/557076385.db2.gz BVJBWHWPGGLXOS-HSZRJFAPSA-N 0 0 436.556 3.541 50 0 IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCc2ccccc21 ZINC000011284298 557076702 /nfs/dbraw/zinc/07/67/02/557076702.db2.gz YIQBUFDQCKPPBT-QGZVFWFLSA-N 0 0 438.499 3.589 50 0 IHAARN COc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2c1 ZINC000085811105 557077110 /nfs/dbraw/zinc/07/71/10/557077110.db2.gz NZIJERWVUKZKMB-UHFFFAOYSA-N 0 0 431.414 3.794 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000023249304 557078172 /nfs/dbraw/zinc/07/81/72/557078172.db2.gz RAADAVKEVZYZCF-AREMUKBSSA-N 0 0 448.611 3.613 50 0 IHAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)N[C@H](C)CCc2ccccc2)c3=O)c1 ZINC000033300175 557078592 /nfs/dbraw/zinc/07/85/92/557078592.db2.gz SFQXSERKMYMIEK-QGZVFWFLSA-N 0 0 432.549 3.966 50 0 IHAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)N2CCOc4ccc(C)cc42)c3=O)c1 ZINC000033300177 557078618 /nfs/dbraw/zinc/07/86/18/557078618.db2.gz URQBAYMNFXBDPK-UHFFFAOYSA-N 0 0 432.505 3.562 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccccc3C)c2n1 ZINC000049001980 557081359 /nfs/dbraw/zinc/08/13/59/557081359.db2.gz ZDTFUGNTBBASDH-UHFFFAOYSA-N 0 0 426.476 3.904 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 ZINC000049002011 557081387 /nfs/dbraw/zinc/08/13/87/557081387.db2.gz VRDXYCCCMPGEKA-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN Cc1ccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000049002049 557081647 /nfs/dbraw/zinc/08/16/47/557081647.db2.gz LRSFFJRIKUKHCP-UHFFFAOYSA-N 0 0 432.524 3.715 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)c1C ZINC000033300851 557082680 /nfs/dbraw/zinc/08/26/80/557082680.db2.gz IZHQBUQYECBICA-UHFFFAOYSA-N 0 0 439.570 3.682 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)cc1 ZINC000033300713 557082689 /nfs/dbraw/zinc/08/26/89/557082689.db2.gz DQMZUANKFUZOKB-UHFFFAOYSA-N 0 0 438.915 3.533 50 0 IHAARN O=S(=O)(c1ccc(NCCC(c2ccccc2)c2ccccc2)nc1)N1CCOCC1 ZINC000023295780 557082783 /nfs/dbraw/zinc/08/27/83/557082783.db2.gz YDOHCCMBTICWKZ-UHFFFAOYSA-N 0 0 437.565 3.737 50 0 IHAARN Cc1cccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)c1 ZINC000049002123 557082825 /nfs/dbraw/zinc/08/28/25/557082825.db2.gz FKGNEBCUJVSLPV-UHFFFAOYSA-N 0 0 432.524 3.715 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000011313144 557084354 /nfs/dbraw/zinc/08/43/54/557084354.db2.gz RPCGQFBKIVGBTJ-SFHVURJKSA-N 0 0 429.502 3.513 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 ZINC000049005938 557084537 /nfs/dbraw/zinc/08/45/37/557084537.db2.gz NRJQUMSUWYBHDY-UHFFFAOYSA-N 0 0 430.464 3.775 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc3C2)s1 ZINC000033306423 557084679 /nfs/dbraw/zinc/08/46/79/557084679.db2.gz ZVIFLHJZFDSMKZ-VQHVLOKHSA-N 0 0 443.550 3.920 50 0 IHAARN CCN(Cc1ccccc1)c1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(N)n1 ZINC000049007297 557085751 /nfs/dbraw/zinc/08/57/51/557085751.db2.gz LXZBOKLLZYKPQC-UHFFFAOYSA-N 0 0 432.933 3.580 50 0 IHAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049007691 557085925 /nfs/dbraw/zinc/08/59/25/557085925.db2.gz GGJKKZBOGGJXGV-UHFFFAOYSA-N 0 0 441.944 3.779 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cccc2C(=O)NCc2cccc(Cl)c2)c(C)c1 ZINC000049007904 557086040 /nfs/dbraw/zinc/08/60/40/557086040.db2.gz WTEAVTAENLIAAZ-UHFFFAOYSA-N 0 0 437.927 3.996 50 0 IHAARN COc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1Cl ZINC000049009004 557086887 /nfs/dbraw/zinc/08/68/87/557086887.db2.gz IEUHKORQBLUGIE-UHFFFAOYSA-N 0 0 447.948 3.617 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(SCc3ccccc3)nccn2c1=O ZINC000049009244 557087093 /nfs/dbraw/zinc/08/70/93/557087093.db2.gz LOKCFPAELBYJGK-UHFFFAOYSA-N 0 0 439.928 3.784 50 0 IHAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3cc4ccccc4oc3=O)cn2)cc1 ZINC000049028221 557088646 /nfs/dbraw/zinc/08/86/46/557088646.db2.gz SEDOUVLQUQXRAR-UHFFFAOYSA-N 0 0 445.475 3.834 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@H]3CCO4)CC2=O)cc1 ZINC000049030387 557089237 /nfs/dbraw/zinc/08/92/37/557089237.db2.gz VZGZZJNGJVZKGQ-ICSRJNTNSA-N 0 0 447.535 3.764 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1 ZINC000049002202 557089944 /nfs/dbraw/zinc/08/99/44/557089944.db2.gz ZNYBXFWYHLWROB-UHFFFAOYSA-N 0 0 432.524 3.587 50 0 IHAARN O=C(Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000033309029 557090108 /nfs/dbraw/zinc/09/01/08/557090108.db2.gz BWUSXXMYPVOXRF-UHFFFAOYSA-N 0 0 448.241 3.768 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(F)c1 ZINC000023411341 557091276 /nfs/dbraw/zinc/09/12/76/557091276.db2.gz IGOLCCRARKJPBP-OAQYLSRUSA-N 0 0 429.455 3.996 50 0 IHAARN Cc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000033309973 557092625 /nfs/dbraw/zinc/09/26/25/557092625.db2.gz KKRMINDBFJIJSW-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1COc1ccc(C(=O)NC2CC2)cc1 ZINC000033310737 557093996 /nfs/dbraw/zinc/09/39/96/557093996.db2.gz UHBSJHZIJKQMPC-GOSISDBHSA-N 0 0 428.916 3.924 50 0 IHAARN COc1ccc(OC)c(N2CCN(CC(=O)N(Cc3ccccc3)c3ccccn3)C2=O)c1 ZINC000049391721 557095057 /nfs/dbraw/zinc/09/50/57/557095057.db2.gz OFFGMHXDAJIDLM-UHFFFAOYSA-N 0 0 446.507 3.574 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000023497107 557095010 /nfs/dbraw/zinc/09/50/10/557095010.db2.gz LHPSCTVPZJKCJM-UHFFFAOYSA-N 0 0 448.317 3.647 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033311375 557095557 /nfs/dbraw/zinc/09/55/57/557095557.db2.gz XGNVSYDCLXQZJZ-FQEVSTJZSA-N 0 0 435.568 3.920 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCC1)Nc1cccc(Br)c1 ZINC000033312748 557096157 /nfs/dbraw/zinc/09/61/57/557096157.db2.gz WZMNOYXSQZQKBQ-NRFANRHFSA-N 0 0 442.357 3.609 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)COc1cc3oc(=O)cc(C)c3cc1Cl)OCO2 ZINC000023550610 557097812 /nfs/dbraw/zinc/09/78/12/557097812.db2.gz FPKWXBWKJJUNJR-UHFFFAOYSA-N 0 0 429.812 3.704 50 0 IHAARN O=C(c1cccc(-c2nccnc2N2CCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033312997 557097904 /nfs/dbraw/zinc/09/79/04/557097904.db2.gz RENZFGOZOUDMSL-UHFFFAOYSA-N 0 0 431.515 3.845 50 0 IHAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049404929 557100063 /nfs/dbraw/zinc/10/00/63/557100063.db2.gz IOCPPZKRJVFCQD-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN COc1cccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1 ZINC000049405183 557100444 /nfs/dbraw/zinc/10/04/44/557100444.db2.gz DKQLQYSJGVBJEC-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN Cc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1S(=O)(=O)N1CCCCC1 ZINC000011335967 557100574 /nfs/dbraw/zinc/10/05/74/557100574.db2.gz DPAJOBQDDCDPLS-UHFFFAOYSA-N 0 0 447.944 3.828 50 0 IHAARN CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)c1 ZINC000049406436 557101551 /nfs/dbraw/zinc/10/15/51/557101551.db2.gz YZKNNAFPQVCVQY-UHFFFAOYSA-N 0 0 437.931 3.518 50 0 IHAARN CCOc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408367 557103153 /nfs/dbraw/zinc/10/31/53/557103153.db2.gz UZAIQOYNMRJWCB-UHFFFAOYSA-N 0 0 426.473 3.663 50 0 IHAARN O=C(CCC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1)c1ccc(Cl)cc1 ZINC000585147187 557104191 /nfs/dbraw/zinc/10/41/91/557104191.db2.gz WGGCHMAHUOALMO-OAHLLOKOSA-N 0 0 438.709 3.535 50 0 IHAARN C[C@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccc5F)CC4)n3)cn2)C1 ZINC000049409668 557104954 /nfs/dbraw/zinc/10/49/54/557104954.db2.gz IXKPFUZKNGWIPO-SFHVURJKSA-N 0 0 436.535 3.829 50 0 IHAARN Cc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 ZINC000049409674 557104989 /nfs/dbraw/zinc/10/49/89/557104989.db2.gz DMJXBAHQQPFWAH-IBGZPJMESA-N 0 0 432.572 3.999 50 0 IHAARN Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4cccc(Br)c4)n3)nn2)cc1 ZINC000049410308 557105537 /nfs/dbraw/zinc/10/55/37/557105537.db2.gz YWBJMTWPIJAFGH-UHFFFAOYSA-N 0 0 439.273 3.700 50 0 IHAARN Cn1c(CCNC(=O)c2ccccc2F)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000033321023 557105725 /nfs/dbraw/zinc/10/57/25/557105725.db2.gz GDBHRJGPMMJJOF-UHFFFAOYSA-N 0 0 446.482 3.702 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3ccc(Cl)cc3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411455 557106618 /nfs/dbraw/zinc/10/66/18/557106618.db2.gz AIERCGUYWZGJAH-UHFFFAOYSA-N 0 0 442.928 3.782 50 0 IHAARN O=C(CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000049411568 557106956 /nfs/dbraw/zinc/10/69/56/557106956.db2.gz JNGVRWDWANLFGT-UHFFFAOYSA-N 0 0 446.891 3.613 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325358 557107490 /nfs/dbraw/zinc/10/74/90/557107490.db2.gz TZKNYDVNFGBHTC-HNNXBMFYSA-N 0 0 435.958 3.555 50 0 IHAARN COc1ccc(N2C(=O)N(Cc3cc(F)ccc3F)S(=O)(=O)c3cccnc32)cc1 ZINC000049420941 557107509 /nfs/dbraw/zinc/10/75/09/557107509.db2.gz SMRLCNWTEZKOFM-UHFFFAOYSA-N 0 0 431.420 3.831 50 0 IHAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)N4CCN(c5ccccc5)CC4)c(C)n3n2)c1 ZINC000086069853 557108095 /nfs/dbraw/zinc/10/80/95/557108095.db2.gz LLFNXUTWYNISIE-UHFFFAOYSA-N 0 0 440.551 3.608 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000049421326 557108171 /nfs/dbraw/zinc/10/81/71/557108171.db2.gz HGLRQBNUMRZUNV-ZBFHGGJFSA-N 0 0 440.569 3.791 50 0 IHAARN CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)C23CCCCC3)s1 ZINC000049544123 557110911 /nfs/dbraw/zinc/11/09/11/557110911.db2.gz HBMPNAZFYCXCAD-SFHVURJKSA-N 0 0 428.558 3.628 50 0 IHAARN COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c(OC)c1OC ZINC000049544814 557111087 /nfs/dbraw/zinc/11/10/87/557111087.db2.gz QKOSJSOORHXMJO-OAHLLOKOSA-N 0 0 426.494 3.673 50 0 IHAARN COc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1OC ZINC000049546215 557111690 /nfs/dbraw/zinc/11/16/90/557111690.db2.gz FQKXBTWKTCSRNO-ZDUSSCGKSA-N 0 0 432.448 3.943 50 0 IHAARN COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1OC ZINC000049547006 557112074 /nfs/dbraw/zinc/11/20/74/557112074.db2.gz DTNQXHIWTFGBTD-OAHLLOKOSA-N 0 0 444.484 3.812 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@@H]1c1ccc(Cl)cc1 ZINC000049547883 557112361 /nfs/dbraw/zinc/11/23/61/557112361.db2.gz CTSVMNLGYQEORV-LJQANCHMSA-N 0 0 437.887 3.572 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@H]1c1ccc(Cl)cc1 ZINC000049547881 557112416 /nfs/dbraw/zinc/11/24/16/557112416.db2.gz CTSVMNLGYQEORV-IBGZPJMESA-N 0 0 437.887 3.572 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCCc2ccccc21 ZINC000017743148 557114403 /nfs/dbraw/zinc/11/44/03/557114403.db2.gz GCMHIQBPNCLHMU-UHFFFAOYSA-N 0 0 442.544 3.911 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1 ZINC000023796290 557116284 /nfs/dbraw/zinc/11/62/84/557116284.db2.gz LOOMBADAMQNWSE-GOSISDBHSA-N 0 0 440.569 3.702 50 0 IHAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049590342 557116939 /nfs/dbraw/zinc/11/69/39/557116939.db2.gz CVBMEDGOEAXDKN-CTNGQTDRSA-N 0 0 433.552 3.538 50 0 IHAARN COc1ccccc1N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000023817520 557118104 /nfs/dbraw/zinc/11/81/04/557118104.db2.gz FVHSOTHDWVVCPQ-UHFFFAOYSA-N 0 0 429.369 3.598 50 0 IHAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000006375042 557118426 /nfs/dbraw/zinc/11/84/26/557118426.db2.gz VMMCQVBPGRFNOY-NRFANRHFSA-N 0 0 426.561 3.552 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2ccccc2Br)N1CCCN1CCOCC1 ZINC000023818950 557118657 /nfs/dbraw/zinc/11/86/57/557118657.db2.gz XKZUXXSJJHVVCD-HXUWFJFHSA-N 0 0 430.346 3.738 50 0 IHAARN COc1ccc(OC)c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000001124830 557119008 /nfs/dbraw/zinc/11/90/08/557119008.db2.gz WJTGDGPIYJRPCW-UHFFFAOYSA-N 0 0 439.331 3.910 50 0 IHAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)C)C2=O)cc1 ZINC000010930825 557119648 /nfs/dbraw/zinc/11/96/48/557119648.db2.gz IXQCNKRIAJHQNZ-REWPJTCUSA-N 0 0 427.570 3.981 50 0 IHAARN COc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000014903893 557119894 /nfs/dbraw/zinc/11/98/94/557119894.db2.gz LZXQPAOGBPUUGL-IYBDPMFKSA-N 0 0 447.915 3.720 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)c1 ZINC000001112668 557121273 /nfs/dbraw/zinc/12/12/73/557121273.db2.gz OQLZDZYROKXYFY-UHFFFAOYSA-N 0 0 447.923 3.577 50 0 IHAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1=O ZINC000023866874 557121537 /nfs/dbraw/zinc/12/15/37/557121537.db2.gz LZCDAHPKBNMPEQ-UHFFFAOYSA-N 0 0 442.541 3.842 50 0 IHAARN CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000023881124 557122775 /nfs/dbraw/zinc/12/27/75/557122775.db2.gz OIXDDAZWVINXRX-UHFFFAOYSA-N 0 0 446.551 3.820 50 0 IHAARN CCOC(=O)Cc1sc(NCc2ccccc2)nc1CN1C(=O)c2ccccc2C1=O ZINC000098086629 557123607 /nfs/dbraw/zinc/12/36/07/557123607.db2.gz LLLMFAHPFRPFCN-UHFFFAOYSA-N 0 0 435.505 3.657 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000004793069 557125112 /nfs/dbraw/zinc/12/51/12/557125112.db2.gz HOUWVTAQRTYXRU-UHFFFAOYSA-N 0 0 433.895 3.613 50 0 IHAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206693138 557129286 /nfs/dbraw/zinc/12/92/86/557129286.db2.gz SODIIJQRVAOVNQ-ZDUSSCGKSA-N 0 0 432.723 3.525 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2Cc2ccco2)CC1 ZINC000011374071 557129381 /nfs/dbraw/zinc/12/93/81/557129381.db2.gz AEPXPYMHCCPGDD-MJGOQNOKSA-N 0 0 431.606 3.943 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2Cc2ccco2)CC1 ZINC000011374061 557129384 /nfs/dbraw/zinc/12/93/84/557129384.db2.gz AEPXPYMHCCPGDD-IEBWSBKVSA-N 0 0 431.606 3.943 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 ZINC000009004933 557130092 /nfs/dbraw/zinc/13/00/92/557130092.db2.gz HMIQJOVLSSFZHW-UHFFFAOYSA-N 0 0 438.553 3.694 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCOCC2)cc1 ZINC000023995205 557130962 /nfs/dbraw/zinc/13/09/62/557130962.db2.gz XKPDFUTWFGUIMG-IBGZPJMESA-N 0 0 443.594 3.992 50 0 IHAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000024031301 557132598 /nfs/dbraw/zinc/13/25/98/557132598.db2.gz PZGNKASYPZLFHB-UHFFFAOYSA-N 0 0 441.896 3.763 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cccc(Br)c1 ZINC000000671134 557133234 /nfs/dbraw/zinc/13/32/34/557133234.db2.gz LOHAZYMRZOODBH-UHFFFAOYSA-N 0 0 439.331 3.950 50 0 IHAARN CCOc1c(Br)cc(F)cc1NCc1cc(=O)n2nc(CC)sc2n1 ZINC000024041454 557133257 /nfs/dbraw/zinc/13/32/57/557133257.db2.gz YHSKVCXFGDFHSS-UHFFFAOYSA-N 0 0 427.299 3.626 50 0 IHAARN CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000024755088 557134355 /nfs/dbraw/zinc/13/43/55/557134355.db2.gz IAHVABLFNFGFAP-UHFFFAOYSA-N 0 0 425.547 3.753 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)cc1 ZINC000010938492 557134460 /nfs/dbraw/zinc/13/44/60/557134460.db2.gz UJXLDKATEOHNQN-UHFFFAOYSA-N 0 0 429.538 3.880 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc21 ZINC000024759147 557134985 /nfs/dbraw/zinc/13/49/85/557134985.db2.gz BYMNDFSVLBYUIT-UHFFFAOYSA-N 0 0 441.461 3.538 50 0 IHAARN COc1ccc(Cl)cc1N1CCN2c3ccccc3C[C@H](C(=O)NCC3CC3)[C@H]2C1 ZINC000245279046 557135021 /nfs/dbraw/zinc/13/50/21/557135021.db2.gz AXHUCIFIDUFAFQ-SIKLNZKXSA-N 0 0 425.960 3.742 50 0 IHAARN C[C@H](Sc1nnc2ccc(C(F)(F)F)cn21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000024142292 557138585 /nfs/dbraw/zinc/13/85/85/557138585.db2.gz WRKVLZQRLXMWRW-HNNXBMFYSA-N 0 0 449.502 3.573 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024147999 557138966 /nfs/dbraw/zinc/13/89/66/557138966.db2.gz QIZXNUBWHOWOPC-DEOSSOPVSA-N 0 0 446.547 3.986 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183650 557140034 /nfs/dbraw/zinc/14/00/34/557140034.db2.gz LENXLUBCSXPFLR-CYBMUJFWSA-N 0 0 438.899 3.929 50 0 IHAARN CC1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 ZINC000000707656 557140636 /nfs/dbraw/zinc/14/06/36/557140636.db2.gz DNUXKKBNDCSYOH-CQSZACIVSA-N 0 0 430.140 3.575 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000024314942 557143950 /nfs/dbraw/zinc/14/39/50/557143950.db2.gz FOPUKJNRXLILSL-UHFFFAOYSA-N 0 0 429.567 3.661 50 0 IHAARN CNC(=O)CCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000092047077 557144906 /nfs/dbraw/zinc/14/49/06/557144906.db2.gz MZEDMIUNMOVQAC-QHCPKHFHSA-N 0 0 427.548 3.750 50 0 IHAARN COc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1N1CCCC1=O ZINC000011446284 557148689 /nfs/dbraw/zinc/14/86/89/557148689.db2.gz GDWKWCBLFKOXCD-UHFFFAOYSA-N 0 0 436.512 3.705 50 0 IHAARN O=C(c1cc(Cl)nc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451085 557149433 /nfs/dbraw/zinc/14/94/33/557149433.db2.gz AGFVFNYFBWVURB-UHFFFAOYSA-N 0 0 435.958 3.533 50 0 IHAARN C[C@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)cc21 ZINC000024573324 557151364 /nfs/dbraw/zinc/15/13/64/557151364.db2.gz NSCYQHSMDAEQFD-OAHLLOKOSA-N 0 0 448.548 3.803 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000000726300 557152665 /nfs/dbraw/zinc/15/26/65/557152665.db2.gz NXGOBBQLFZQSTB-UHFFFAOYSA-N 0 0 436.826 3.945 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607192 557153310 /nfs/dbraw/zinc/15/33/10/557153310.db2.gz BQQYRYOFLFZFFU-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)c12 ZINC000024663987 557158016 /nfs/dbraw/zinc/15/80/16/557158016.db2.gz KTDGSWRKHOAAQN-SFHVURJKSA-N 0 0 448.504 3.623 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000024705074 557159370 /nfs/dbraw/zinc/15/93/70/557159370.db2.gz DDDUVTSGSZJUKF-IBGZPJMESA-N 0 0 432.307 3.946 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 ZINC000011539578 557160677 /nfs/dbraw/zinc/16/06/77/557160677.db2.gz ZFXRDRXZXJMNGG-MRXNPFEDSA-N 0 0 434.587 3.880 50 0 IHAARN Cc1occc1-c1nnc(SCCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1N ZINC000024745354 557161441 /nfs/dbraw/zinc/16/14/41/557161441.db2.gz VOJYIDGYKLCSPD-UHFFFAOYSA-N 0 0 447.520 3.912 50 0 IHAARN CC1CCN(c2nnc(SCc3cc(=O)n4ccsc4n3)n2Cc2ccco2)CC1 ZINC000011541750 557162652 /nfs/dbraw/zinc/16/26/52/557162652.db2.gz DOMCVFRJLIPEHW-UHFFFAOYSA-N 0 0 442.570 3.517 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000024769332 557165608 /nfs/dbraw/zinc/16/56/08/557165608.db2.gz DGMPFGUXLXWOMD-VWLOTQADSA-N 0 0 441.531 3.709 50 0 IHAARN COc1ccc(CCC(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1OCc1ccccc1 ZINC000206958899 557168137 /nfs/dbraw/zinc/16/81/37/557168137.db2.gz DJUQYOLZJRJCOR-UHFFFAOYSA-N 0 0 449.503 3.758 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)n2)cc1 ZINC000024829220 557169731 /nfs/dbraw/zinc/16/97/31/557169731.db2.gz GVVMXSOVBQFQNW-UHFFFAOYSA-N 0 0 449.536 3.654 50 0 IHAARN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207018200 557171025 /nfs/dbraw/zinc/17/10/25/557171025.db2.gz OFMQDZOABSFECH-OAHLLOKOSA-N 0 0 440.550 3.990 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000024832841 557171164 /nfs/dbraw/zinc/17/11/64/557171164.db2.gz UFAKMARMUYGXSB-UEXBFKPASA-N 0 0 446.572 3.769 50 0 IHAARN CC(C)CNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000024865484 557175321 /nfs/dbraw/zinc/17/53/21/557175321.db2.gz PPQPYHBIOBFEGG-UHFFFAOYSA-N 0 0 430.774 3.525 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2Br)cc1 ZINC000024922956 557179128 /nfs/dbraw/zinc/17/91/28/557179128.db2.gz YRFJKJHEBUJVFQ-JKSUJKDBSA-N 0 0 432.362 3.894 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024925561 557179700 /nfs/dbraw/zinc/17/97/00/557179700.db2.gz OWPOVHUTPNYZIZ-HSZRJFAPSA-N 0 0 433.895 3.999 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000024927311 557180064 /nfs/dbraw/zinc/18/00/64/557180064.db2.gz XDJHRTHNJNYQAS-UHFFFAOYSA-N 0 0 434.492 4.000 50 0 IHAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1C ZINC000009026463 557180242 /nfs/dbraw/zinc/18/02/42/557180242.db2.gz WMFNJILRHZTKNM-UHFFFAOYSA-N 0 0 445.495 3.568 50 0 IHAARN O=C(Nc1nnc(-c2ccco2)s1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000024927998 557180524 /nfs/dbraw/zinc/18/05/24/557180524.db2.gz MOOFGDOTYWOUAI-SNVBAGLBSA-N 0 0 433.287 3.552 50 0 IHAARN COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC ZINC000096177816 557182540 /nfs/dbraw/zinc/18/25/40/557182540.db2.gz VSOUDUXMPUHJEU-UHFFFAOYSA-N 0 0 447.520 3.918 50 0 in-vitro IHAARN Cc1nc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2s1 ZINC000024974055 557184342 /nfs/dbraw/zinc/18/43/42/557184342.db2.gz RGVBSCTZOXYFCS-FQEVSTJZSA-N 0 0 426.523 3.547 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000011559457 557185622 /nfs/dbraw/zinc/18/56/22/557185622.db2.gz BWXHSOZHEAFZDQ-IBGZPJMESA-N 0 0 446.500 3.740 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC)cc1 ZINC000100820986 557186048 /nfs/dbraw/zinc/18/60/48/557186048.db2.gz CKVUUWWFZYIBGG-DQRAZIAOSA-N 0 0 431.583 3.803 50 0 IHAARN Cc1ccnc2nc(C(=O)Nc3cc(Cl)cc(Br)c3OC(F)F)nn21 ZINC000024986197 557186432 /nfs/dbraw/zinc/18/64/32/557186432.db2.gz ZOXONGIPZKSGPR-UHFFFAOYSA-N 0 0 432.612 3.702 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(-n2cnnn2)c1 ZINC000024989740 557187393 /nfs/dbraw/zinc/18/73/93/557187393.db2.gz DIAKZWRQLFIDEU-UHFFFAOYSA-N 0 0 439.454 3.584 50 0 IHAARN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)oc21 ZINC000024990045 557187408 /nfs/dbraw/zinc/18/74/08/557187408.db2.gz CWRAWTSHMSRZGC-CYBMUJFWSA-N 0 0 432.498 3.838 50 0 IHAARN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000009582740 557190249 /nfs/dbraw/zinc/19/02/49/557190249.db2.gz OAIKHDLHTAUPGH-INIZCTEOSA-N 0 0 438.553 3.527 50 0 IHAARN CCc1ccccc1-n1cnnc1SCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000025044493 557190438 /nfs/dbraw/zinc/19/04/38/557190438.db2.gz XHCFUOLZEWZVIY-UHFFFAOYSA-N 0 0 437.569 3.602 50 0 IHAARN O=S(=O)(NC1CCN(CCOc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000025046202 557190546 /nfs/dbraw/zinc/19/05/46/557190546.db2.gz FOGLDNARYQJGBP-UHFFFAOYSA-N 0 0 429.369 3.815 50 0 IHAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000009699197 557191468 /nfs/dbraw/zinc/19/14/68/557191468.db2.gz BKTOFEBVNQCFGV-UHFFFAOYSA-N 0 0 432.908 3.555 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@@H](C)C2 ZINC000025054329 557192162 /nfs/dbraw/zinc/19/21/62/557192162.db2.gz BUKJVRCGISGZLE-VXGBXAGGSA-N 0 0 448.516 3.955 50 0 IHAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100872413 557193860 /nfs/dbraw/zinc/19/38/60/557193860.db2.gz RMZUKDNXTXGBFH-VZCXRCSSSA-N 0 0 449.326 3.639 50 0 IHAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000100873059 557195961 /nfs/dbraw/zinc/19/59/61/557195961.db2.gz VPTPUAQCTSSAQH-QOCHGBHMSA-N 0 0 448.342 3.811 50 0 IHAARN CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791247 557198991 /nfs/dbraw/zinc/19/89/91/557198991.db2.gz SEMDPWIKESWLTE-JSGCOSHPSA-N 0 0 443.525 3.930 50 0 IHAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000025188358 557199361 /nfs/dbraw/zinc/19/93/61/557199361.db2.gz CFRMLMAPFZTBAJ-UHFFFAOYSA-N 0 0 437.521 3.994 50 0 IHAARN CCN(C(=O)C1=Cc2ccccc2OC1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000072235873 557200448 /nfs/dbraw/zinc/20/04/48/557200448.db2.gz YLQBIDPQLNYBIS-UHFFFAOYSA-N 0 0 436.327 3.771 50 0 IHAARN Cc1ccccc1[C@@H](OC[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 ZINC000025265807 557201814 /nfs/dbraw/zinc/20/18/14/557201814.db2.gz DQMGHLXEJCVLEK-FNZWTVRRSA-N 0 0 429.520 3.540 50 0 IHAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccnc(N2CCOCC2)c1 ZINC000025290642 557202870 /nfs/dbraw/zinc/20/28/70/557202870.db2.gz AKSVDKQZRFOKNI-UHFFFAOYSA-N 0 0 428.945 3.554 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O ZINC000000796095 557208757 /nfs/dbraw/zinc/20/87/57/557208757.db2.gz JVDWLYDRTZWTLM-HXUWFJFHSA-N 0 0 446.525 3.612 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000011613149 557208917 /nfs/dbraw/zinc/20/89/17/557208917.db2.gz MYUQHVPMXRWPKT-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000025466295 557211392 /nfs/dbraw/zinc/21/13/92/557211392.db2.gz XRBPZTFUJIEHBI-XMMPIXPASA-N 0 0 432.545 3.973 50 0 IHAARN Cn1c2oc(NCc3ccccc3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000011615597 557211579 /nfs/dbraw/zinc/21/15/79/557211579.db2.gz ZQGNFLGAULZATC-UHFFFAOYSA-N 0 0 440.297 3.872 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccc(C)cc2)CC1 ZINC000169780733 557212356 /nfs/dbraw/zinc/21/23/56/557212356.db2.gz AXZXZMPKHJXRMM-UHFFFAOYSA-N 0 0 426.904 3.551 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCc1cn2ccccc2n1 ZINC000025530176 557213062 /nfs/dbraw/zinc/21/30/62/557213062.db2.gz DWXVCARBOAFIKP-UHFFFAOYSA-N 0 0 429.402 3.520 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000025572170 557215069 /nfs/dbraw/zinc/21/50/69/557215069.db2.gz MDQNOSHINWGPBZ-UHFFFAOYSA-N 0 0 443.975 3.700 50 0 IHAARN COc1ccc(C(O)=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000025581086 557216330 /nfs/dbraw/zinc/21/63/30/557216330.db2.gz BHFXHZDHXBBNKM-UEXGIBASSA-N 0 0 436.430 3.923 50 0 IHAARN Cc1cc(C)c(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)c1 ZINC000010003275 557218529 /nfs/dbraw/zinc/21/85/29/557218529.db2.gz BOCFXAQSKGOCOE-UHFFFAOYSA-N 0 0 438.915 3.853 50 0 IHAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)C3CCCCC3)C2=O)cc1C ZINC000025636658 557219977 /nfs/dbraw/zinc/21/99/77/557219977.db2.gz PTROPJGBPXRTHP-SANMLTNESA-N 0 0 433.552 3.890 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000010998694 557221638 /nfs/dbraw/zinc/22/16/38/557221638.db2.gz KCTCSNIQFPHCOO-UHFFFAOYSA-N 0 0 440.565 3.608 50 0 IHAARN O=C(CCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(Br)cc1 ZINC000025745357 557223892 /nfs/dbraw/zinc/22/38/92/557223892.db2.gz MHHKEJJPXJZSML-UHFFFAOYSA-N 0 0 447.304 3.536 50 0 IHAARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000011137694 557227331 /nfs/dbraw/zinc/22/73/31/557227331.db2.gz LDIANGMLFGHKLS-UHFFFAOYSA-N 0 0 434.448 3.752 50 0 IHAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000011510137 557229754 /nfs/dbraw/zinc/22/97/54/557229754.db2.gz NDLCNYXUFOHSPW-UHFFFAOYSA-N 0 0 436.483 3.757 50 0 IHAARN C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000025914319 557229992 /nfs/dbraw/zinc/22/99/92/557229992.db2.gz ULTAVLCEOFTYIO-ZDUSSCGKSA-N 0 0 434.521 3.578 50 0 IHAARN O=c1c2nc(N3CCOCC3)sc2c(-c2cccs2)nn1Cc1cccc(F)c1 ZINC000011666265 557231765 /nfs/dbraw/zinc/23/17/65/557231765.db2.gz CNTVBVDPLAGLJP-UHFFFAOYSA-N 0 0 428.514 3.606 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1OC ZINC000011693352 557232193 /nfs/dbraw/zinc/23/21/93/557232193.db2.gz MNBXSSKNOSXUMA-UHFFFAOYSA-N 0 0 435.480 3.549 50 0 IHAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)c12 ZINC000026016515 557232284 /nfs/dbraw/zinc/23/22/84/557232284.db2.gz SYMGQTYFFYSAIU-UHFFFAOYSA-N 0 0 443.573 3.681 50 0 IHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 ZINC000026069441 557233327 /nfs/dbraw/zinc/23/33/27/557233327.db2.gz CWVHQSWFGOWVMF-YKSBVNFPSA-N 0 0 432.549 3.610 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018047768 557233716 /nfs/dbraw/zinc/23/37/16/557233716.db2.gz JLTNLSLAHVFZCL-CQSZACIVSA-N 0 0 447.276 3.733 50 0 IHAARN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCCCSc1ccccc1 ZINC000018083232 557235629 /nfs/dbraw/zinc/23/56/29/557235629.db2.gz NMXGLADIYKNHKF-UHFFFAOYSA-N 0 0 447.354 3.734 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 ZINC000018083863 557235631 /nfs/dbraw/zinc/23/56/31/557235631.db2.gz ZDRCBZPAAYSZIP-MRXNPFEDSA-N 0 0 448.548 3.942 50 0 IHAARN COc1cc(OC)cc([C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2nccn2C)c1 ZINC000026190509 557237037 /nfs/dbraw/zinc/23/70/37/557237037.db2.gz ZNGGFNSMERJWCS-FQEVSTJZSA-N 0 0 438.509 3.602 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC[C@]2(C1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000583648970 557241892 /nfs/dbraw/zinc/24/18/92/557241892.db2.gz GHFTVHBSKOZZPS-OAQYLSRUSA-N 0 0 432.307 3.720 50 0 IHAARN C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000026480905 557242193 /nfs/dbraw/zinc/24/21/93/557242193.db2.gz GJRJYKCLNHHVNY-VALILCMLSA-N 0 0 428.480 3.771 50 0 IHAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000026533793 557243537 /nfs/dbraw/zinc/24/35/37/557243537.db2.gz NGQIWOQSIPCXNH-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000026543022 557244138 /nfs/dbraw/zinc/24/41/38/557244138.db2.gz QFLBAPORBQVSAI-UHFFFAOYSA-N 0 0 430.507 3.597 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1F ZINC000026564606 557244768 /nfs/dbraw/zinc/24/47/68/557244768.db2.gz PVOUNGCDVNFZLO-UHFFFAOYSA-N 0 0 442.468 3.958 50 0 IHAARN COc1ccc(NC2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000100188794 557246718 /nfs/dbraw/zinc/24/67/18/557246718.db2.gz VOXDPCCVKHNSMP-FQEVSTJZSA-N 0 0 431.895 3.696 50 0 IHAARN COc1ncccc1NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604404282 557246895 /nfs/dbraw/zinc/24/68/95/557246895.db2.gz AYVAEQUFHDPCOR-HSZRJFAPSA-N 0 0 442.475 3.624 50 0 biogenic IHAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc(F)c(F)c(F)c1 ZINC000604419420 557251516 /nfs/dbraw/zinc/25/15/16/557251516.db2.gz MWKYPAXRAJGJLV-OAQYLSRUSA-N 0 0 437.377 3.857 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc12 ZINC000018217333 557252984 /nfs/dbraw/zinc/25/29/84/557252984.db2.gz SIOSHAOJGHOBNL-UHFFFAOYSA-N 0 0 426.586 3.824 50 0 IHAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000018223045 557253035 /nfs/dbraw/zinc/25/30/35/557253035.db2.gz YGJBABVEHOGTJM-ZJVMWOEPSA-N 0 0 425.536 3.965 50 0 IHAARN COc1ccc(S(=O)(=O)CCCC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 ZINC000101116792 557256608 /nfs/dbraw/zinc/25/66/08/557256608.db2.gz RHSQVUUVRXNIGC-QURGRASLSA-N 0 0 432.567 3.547 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000027134395 557257537 /nfs/dbraw/zinc/25/75/37/557257537.db2.gz ULLVEWZQGURRGB-HNNXBMFYSA-N 0 0 425.481 3.937 50 0 IHAARN O=C1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100308798 557257457 /nfs/dbraw/zinc/25/74/57/557257457.db2.gz AWZUHBWIQAQXCG-SFHVURJKSA-N 0 0 437.849 3.813 50 0 IHAARN COc1ccc(-c2nc(CSCCC(=O)NC(=O)NCc3ccccc3)co2)cc1 ZINC000027194546 557258465 /nfs/dbraw/zinc/25/84/65/557258465.db2.gz BPDKNMIVWCIGMI-UHFFFAOYSA-N 0 0 425.510 4.000 50 0 IHAARN Cc1nc(COc2ccc(C(=O)Nc3cc4c(cc3Br)OCCO4)cc2)no1 ZINC000024946871 557261572 /nfs/dbraw/zinc/26/15/72/557261572.db2.gz RGOPDTGWEZPBDV-UHFFFAOYSA-N 0 0 446.257 3.743 50 0 IHAARN CS(=O)(=O)c1ccc(Br)c(C(=O)NCCSCc2ccccc2)c1 ZINC000072270975 557262406 /nfs/dbraw/zinc/26/24/06/557262406.db2.gz YVZTXDQBQWMMGK-UHFFFAOYSA-N 0 0 428.373 3.516 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Br)cc1)S2 ZINC000027525594 557263396 /nfs/dbraw/zinc/26/33/96/557263396.db2.gz YAMKBEUGBMGSFH-WBVHZDCISA-N 0 0 431.315 3.697 50 0 IHAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 ZINC000100594828 557265600 /nfs/dbraw/zinc/26/56/00/557265600.db2.gz VNWPAHHRXQZSNJ-ZWKOTPCHSA-N 0 0 448.449 3.569 50 0 IHAARN COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[nH]cc-3c2=O)cc1 ZINC000101281844 557266947 /nfs/dbraw/zinc/26/69/47/557266947.db2.gz QJDUPVTYEMCQNM-UHFFFAOYSA-N 0 0 442.450 3.896 50 0 IHAARN O=C(CCCNC(=O)c1ccsc1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000072272004 557267559 /nfs/dbraw/zinc/26/75/59/557267559.db2.gz DLVGFATYNAJBJJ-UHFFFAOYSA-N 0 0 428.583 3.916 50 0 IHAARN O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027743780 557272227 /nfs/dbraw/zinc/27/22/27/557272227.db2.gz PYXCSQCVOWYWKP-OAHLLOKOSA-N 0 0 446.327 3.727 50 0 IHAARN CCCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1 ZINC000027748493 557273087 /nfs/dbraw/zinc/27/30/87/557273087.db2.gz UOXMKGCIPNPXRN-UHFFFAOYSA-N 0 0 431.539 3.943 50 0 IHAARN CSCC[C@@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101404528 557283111 /nfs/dbraw/zinc/28/31/11/557283111.db2.gz IYFQDVNDMFWUTK-LZWOXQAQSA-N 0 0 432.567 3.636 50 0 IHAARN CN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)CC1 ZINC000101396875 557283343 /nfs/dbraw/zinc/28/33/43/557283343.db2.gz LZAYYMZPSXOOHM-UHFFFAOYSA-N 0 0 446.334 3.953 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000011665604 557284939 /nfs/dbraw/zinc/28/49/39/557284939.db2.gz CHWNLMAJDDXWAN-NRFANRHFSA-N 0 0 434.464 3.577 50 0 IHAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000023323200 557285191 /nfs/dbraw/zinc/28/51/91/557285191.db2.gz NGYMFIQMOSETIL-LJQANCHMSA-N 0 0 432.524 3.658 50 0 IHAARN COc1ccc(CNc2nn3c(nc(CNc4cccc(C(F)(F)F)c4)cc3=O)[nH]2)cc1 ZINC000101796356 557298540 /nfs/dbraw/zinc/29/85/40/557298540.db2.gz UDAHZPRFXDEBBW-UHFFFAOYSA-N 0 0 444.417 3.669 50 0 IHAARN CCC(=O)N(Cc1cccs1)c1nn2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)[nH]1 ZINC000101861523 557304075 /nfs/dbraw/zinc/30/40/75/557304075.db2.gz SKSIXDJODLBGAI-UHFFFAOYSA-N 0 0 441.944 3.975 50 0 IHAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(OC)c3)C(=O)c3ccccc3)nn2c1=O ZINC000101878598 557304542 /nfs/dbraw/zinc/30/45/42/557304542.db2.gz HHTTVUYYWOXFDA-UHFFFAOYSA-N 0 0 445.523 3.924 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cs1 ZINC000014129369 557308163 /nfs/dbraw/zinc/30/81/63/557308163.db2.gz IJPDYGROJZYUDJ-UHFFFAOYSA-N 0 0 434.521 3.614 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102258604 557316910 /nfs/dbraw/zinc/31/69/10/557316910.db2.gz UOSJWIBTOLISPK-HXUWFJFHSA-N 0 0 429.517 3.976 50 0 IHAARN COc1ccc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)c(OC)c1 ZINC000032902147 557317053 /nfs/dbraw/zinc/31/70/53/557317053.db2.gz VIRHSJRPGLGTJV-UHFFFAOYSA-N 0 0 427.482 3.996 50 0 IHAARN O=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1cccc(Cl)c1 ZINC000032949578 557320274 /nfs/dbraw/zinc/32/02/74/557320274.db2.gz QWANKJOPJXEIGI-UHFFFAOYSA-N 0 0 430.892 3.869 50 0 IHAARN C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCCCOC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000221827099 557325556 /nfs/dbraw/zinc/32/55/56/557325556.db2.gz KNIKKEJWUBPJRE-JHFSOIRNSA-N 0 0 428.525 3.572 50 0 IHAARN CCCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CCCC2 ZINC000102445279 557325805 /nfs/dbraw/zinc/32/58/05/557325805.db2.gz QYQFTVRVNLWSNO-GJZGRUSLSA-N 0 0 446.569 3.698 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cnccn1 ZINC000002264518 557327444 /nfs/dbraw/zinc/32/74/44/557327444.db2.gz RGPWGKYHDOYKQL-UHFFFAOYSA-N 0 0 433.335 3.557 50 0 IHAARN Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@@H](C)N2C(=O)Cc1cn(C)c2ccccc12 ZINC000072310520 557331981 /nfs/dbraw/zinc/33/19/81/557331981.db2.gz DIXRSMGISDBLHB-OAHLLOKOSA-N 0 0 437.544 3.940 50 0 IHAARN C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072310723 557333019 /nfs/dbraw/zinc/33/30/19/557333019.db2.gz XYCDZPRKWDKFGV-ZBFHGGJFSA-N 0 0 437.562 3.534 50 0 IHAARN O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCc1nc(-c2ccc(Cl)c(F)c2)no1 ZINC000033309761 557333828 /nfs/dbraw/zinc/33/38/28/557333828.db2.gz ITVTZULBAIHKGS-UHFFFAOYSA-N 0 0 440.818 3.724 50 0 IHAARN CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100165903 557340284 /nfs/dbraw/zinc/34/02/84/557340284.db2.gz UMVPNPOVKATLAH-ZCNNSNEGSA-N 0 0 440.341 3.547 50 0 IHAARN CC(C)=CC(=O)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000023335035 557349917 /nfs/dbraw/zinc/34/99/17/557349917.db2.gz QTBOGACKXZMUDM-UHFFFAOYSA-N 0 0 431.327 3.713 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(F)cc1 ZINC000023436018 557354225 /nfs/dbraw/zinc/35/42/25/557354225.db2.gz FOIBVIFCSYKJOZ-UHFFFAOYSA-N 0 0 449.573 3.899 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2cccnc2Cl)c(-c2ccc3c(c2)OCO3)cn1C ZINC000023434766 557355969 /nfs/dbraw/zinc/35/59/69/557355969.db2.gz RDJNGVUUDUNPBN-UHFFFAOYSA-N 0 0 427.844 3.898 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c(OC)c1 ZINC000102663095 557361948 /nfs/dbraw/zinc/36/19/48/557361948.db2.gz UBZIBLXCIWQIKU-DNVJHFABSA-N 0 0 448.450 3.894 50 0 IHAARN CCOC(=O)C1CCN([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022836 557391256 /nfs/dbraw/zinc/39/12/56/557391256.db2.gz VXJPSKPASNFASX-NRFANRHFSA-N 0 0 432.948 3.900 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc(Cl)cc1 ZINC000011694591 557392592 /nfs/dbraw/zinc/39/25/92/557392592.db2.gz QHTKQXSSOQDHIS-UHFFFAOYSA-N 0 0 426.839 3.784 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1 ZINC000011694689 557392852 /nfs/dbraw/zinc/39/28/52/557392852.db2.gz RHIDGJWNCSIAQO-UHFFFAOYSA-N 0 0 425.919 3.568 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000013955776 557397505 /nfs/dbraw/zinc/39/75/05/557397505.db2.gz YYWRSFSMGWPOAS-QGZVFWFLSA-N 0 0 437.569 3.757 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013955957 557397687 /nfs/dbraw/zinc/39/76/87/557397687.db2.gz SCHPEJGRAJOTRP-QFBILLFUSA-N 0 0 443.617 3.883 50 0 IHAARN COc1ccc(C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000102899006 557411423 /nfs/dbraw/zinc/41/14/23/557411423.db2.gz KQDWRQLIGNCFEK-SQJMNOBHSA-N 0 0 446.434 3.924 50 0 IHAARN C[C@@H](NC(=O)CCNC(=O)c1c[nH]c2ccccc12)[C@@H](c1ccccc1Cl)n1cccn1 ZINC000408517532 557412379 /nfs/dbraw/zinc/41/23/79/557412379.db2.gz KXIHEWJPTQVNGN-MWTRTKDXSA-N 0 0 449.942 3.932 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000004943907 557413040 /nfs/dbraw/zinc/41/30/40/557413040.db2.gz DIGDCQDGXDUSLA-INIZCTEOSA-N 0 0 425.485 3.878 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(C)cs1 ZINC000103056209 557416913 /nfs/dbraw/zinc/41/69/13/557416913.db2.gz ZRMZOYIOTDZDBP-MRXNPFEDSA-N 0 0 442.522 3.991 50 0 IHAARN COc1ccc(-c2cc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)ccc2OC)cc1 ZINC000103141973 557423365 /nfs/dbraw/zinc/42/33/65/557423365.db2.gz RRZYVUZVESALFK-BGYRXZFFSA-N 0 0 434.492 3.651 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000051317502 557468586 /nfs/dbraw/zinc/46/85/86/557468586.db2.gz SDSNTHSZMBWZTK-UHFFFAOYSA-N 0 0 425.920 3.590 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000051317304 557468625 /nfs/dbraw/zinc/46/86/25/557468625.db2.gz NQBFGEYJEBJKOM-UHFFFAOYSA-N 0 0 449.912 3.854 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccccc4)no3)c2N)cc1 ZINC000046914139 557513545 /nfs/dbraw/zinc/51/35/45/557513545.db2.gz LAAWEDSZUBQULL-UHFFFAOYSA-N 0 0 436.497 3.552 50 0 IHAARN CSc1nn(CC(=O)Nc2cccc(F)c2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914650 557513840 /nfs/dbraw/zinc/51/38/40/557513840.db2.gz XHSOKAGPISPVAY-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN COc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1OC ZINC000046915814 557514026 /nfs/dbraw/zinc/51/40/26/557514026.db2.gz GVPJIVFCDYOIRR-UHFFFAOYSA-N 0 0 430.508 3.664 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613243 557516860 /nfs/dbraw/zinc/51/68/60/557516860.db2.gz SZIWRWPMEFDFDL-UHFFFAOYSA-N 0 0 432.528 3.586 50 0 IHAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2ccc(C)c(C)c2)nc2cccnc21 ZINC000047146405 557517012 /nfs/dbraw/zinc/51/70/12/557517012.db2.gz TYBAJCUYROORDX-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000047146221 557517033 /nfs/dbraw/zinc/51/70/33/557517033.db2.gz LWQUPEVMQBOGAV-UHFFFAOYSA-N 0 0 448.882 3.890 50 0 IHAARN CCCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)Nc1nn(C)c(C)c1Cl ZINC000036621529 557517376 /nfs/dbraw/zinc/51/73/76/557517376.db2.gz XGIMBQZALHQZST-UHFFFAOYSA-N 0 0 440.882 3.578 50 0 IHAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000106866077 557532679 /nfs/dbraw/zinc/53/26/79/557532679.db2.gz NFGYQCLKRPEOMK-CZSZKKDXSA-N 0 0 437.515 3.778 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(-n3cncn3)cc2)C[C@@H]2CCCC[C@@H]21 ZINC000106860571 557533036 /nfs/dbraw/zinc/53/30/36/557533036.db2.gz RNPNQAMQFIAFCP-HSQYWUDLSA-N 0 0 445.523 3.688 50 0 IHAARN NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000107347424 557535715 /nfs/dbraw/zinc/53/57/15/557535715.db2.gz ODRWANFPVPQWFE-IJEWVQPXSA-N 0 0 441.247 3.914 50 0 IHAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000044840153 557539160 /nfs/dbraw/zinc/53/91/60/557539160.db2.gz QDUSUYHKTKZCBK-GFCCVEGCSA-N 0 0 448.292 3.675 50 0 IHAARN CCOc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1 ZINC000044928768 557541460 /nfs/dbraw/zinc/54/14/60/557541460.db2.gz YXWOIWOBANTLAP-UHFFFAOYSA-N 0 0 438.549 3.757 50 0 IHAARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000044973702 557541974 /nfs/dbraw/zinc/54/19/74/557541974.db2.gz WSDIXOAVYPAFQU-ZDUSSCGKSA-N 0 0 436.331 3.649 50 0 IHAARN COc1cc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc(OC)c1OC ZINC000045941283 557550839 /nfs/dbraw/zinc/55/08/39/557550839.db2.gz PFMFOXKVNZWNLQ-UHFFFAOYSA-N 0 0 446.301 3.591 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CS2 ZINC000045960778 557554894 /nfs/dbraw/zinc/55/48/94/557554894.db2.gz HFGLPOZGPYKOJN-UHFFFAOYSA-N 0 0 431.945 3.899 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccco5)n4ccn3n2)c1 ZINC000045971729 557555497 /nfs/dbraw/zinc/55/54/97/557555497.db2.gz UOMFBNPQTYCPNE-UHFFFAOYSA-N 0 0 432.509 3.662 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc2ccccc21 ZINC000040059951 557687756 /nfs/dbraw/zinc/68/77/56/557687756.db2.gz MPDBGQIQSYRYQZ-UHFFFAOYSA-N 0 0 427.526 3.539 50 0 IHAARN O=C(NCc1ccncc1)Nc1cccc(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000225408305 557719348 /nfs/dbraw/zinc/71/93/48/557719348.db2.gz ZKZYEKOCZKABHU-QFIPXVFZSA-N 0 0 431.475 3.540 50 0 IHAARN COc1ccc(CN(CC(=O)NCc2ccc(C)c(F)c2)[C@@H](CCO)c2ccco2)cc1 ZINC000225424789 557722006 /nfs/dbraw/zinc/72/20/06/557722006.db2.gz VZROBRYLZIMFPX-QHCPKHFHSA-N 0 0 440.515 3.978 50 0 IHAARN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000225438783 557722769 /nfs/dbraw/zinc/72/27/69/557722769.db2.gz ZEFKSAYMXLPJBQ-MRXNPFEDSA-N 0 0 435.402 3.808 50 0 IHAARN COC(=O)[C@@H](C)N(C(=O)c1cnc2ccccc2n1)c1ccc(Br)cc1C ZINC000225475022 557727315 /nfs/dbraw/zinc/72/73/15/557727315.db2.gz FNPQPOQOKFYBIA-CYBMUJFWSA-N 0 0 428.286 3.909 50 0 IHAARN COC(=O)[C@H](C)N(C(=O)c1cc(-n2cccn2)ccn1)c1ccc(Br)cc1C ZINC000225475071 557727338 /nfs/dbraw/zinc/72/73/38/557727338.db2.gz MVZOLINKDWFKKU-AWEZNQCLSA-N 0 0 443.301 3.547 50 0 IHAARN CCOC(=O)c1sc2nc(CN(C)C)nc(NCCCO[C@@H]3CCCCO3)c2c1C ZINC000225534758 557738009 /nfs/dbraw/zinc/73/80/09/557738009.db2.gz ORBNJYUIGLSIPW-MRXNPFEDSA-N 0 0 436.578 3.583 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCN(c4ccnn4C)C3)cc12 ZINC000225566071 557743455 /nfs/dbraw/zinc/74/34/55/557743455.db2.gz SITXQDSBJGTGQU-INIZCTEOSA-N 0 0 438.532 3.667 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)ccc1C ZINC000225727695 557769349 /nfs/dbraw/zinc/76/93/49/557769349.db2.gz AQONACAUCWPLRP-FGZHOGPDSA-N 0 0 432.586 3.514 50 0 IHAARN Cc1c(NC(=O)c2ccc(Br)cc2Cl)ccc(F)c1N1C(=O)CNC1=O ZINC000225767555 557774788 /nfs/dbraw/zinc/77/47/88/557774788.db2.gz SYXKBJWYBIQHRM-UHFFFAOYSA-N 0 0 440.656 3.859 50 0 IHAARN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1cnn(-c2ccc(F)cc2F)c(=O)c1Cl ZINC000225779194 557777033 /nfs/dbraw/zinc/77/70/33/557777033.db2.gz IQALWTRNIDFLLT-LQDVMPOASA-N 0 0 431.874 3.813 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccccc1F ZINC000024988350 557829010 /nfs/dbraw/zinc/82/90/10/557829010.db2.gz BQBWIZCFNSBMDB-LGMDPLHJSA-N 0 0 449.935 3.953 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 ZINC000000846229 557829050 /nfs/dbraw/zinc/82/90/50/557829050.db2.gz STKOGXRFGPSVMY-JTSKRJEESA-N 0 0 437.540 3.714 50 0 IHAARN O=C(COc1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Br)cc1 ZINC000000866254 557839663 /nfs/dbraw/zinc/83/96/63/557839663.db2.gz HXWZGRZMEMQWMU-QGZVFWFLSA-N 0 0 443.219 3.824 50 0 IHAARN CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 ZINC000239331374 557844050 /nfs/dbraw/zinc/84/40/50/557844050.db2.gz KNPYMOWDLIKHOY-XLIONFOSSA-N 0 0 438.549 3.745 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](c1ccc(Br)cc1)N1CCCN21 ZINC000239339160 557844060 /nfs/dbraw/zinc/84/40/60/557844060.db2.gz LTXBXKMAYZVNNP-OKZBNKHCSA-N 0 0 446.732 3.638 50 0 IHAARN C[C@H](CO)[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000241124159 557845924 /nfs/dbraw/zinc/84/59/24/557845924.db2.gz JGAKNYFJPRJODR-WPGHFRTFSA-N 0 0 425.348 3.857 50 0 IHAARN CC(=O)N1CSC(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)=N1 ZINC000241287123 557846252 /nfs/dbraw/zinc/84/62/52/557846252.db2.gz LKCPQKYSMKBQTR-UHFFFAOYSA-N 0 0 425.901 3.746 50 0 IHAARN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)C1=O ZINC000241470704 557846670 /nfs/dbraw/zinc/84/66/70/557846670.db2.gz NXGILTZOHQNTHQ-NRFANRHFSA-N 0 0 436.512 3.735 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)n2CC)c1 ZINC000000894233 557862754 /nfs/dbraw/zinc/86/27/54/557862754.db2.gz NZURLWCGZHZUSF-UHFFFAOYSA-N 0 0 427.530 3.888 50 0 IHAARN C[C@@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388640 562921599 /nfs/dbraw/zinc/92/15/99/562921599.db2.gz VQWPRXZMQLMWTL-QGZVFWFLSA-N 0 0 435.851 3.663 50 0 IHAARN COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 ZINC000001424447 562921797 /nfs/dbraw/zinc/92/17/97/562921797.db2.gz ZHTVPDXVUPBPGE-UHFFFAOYSA-N 0 0 431.315 3.986 50 0 aggregator IHAARN CCCCN(C(=O)CC(c1ccccc1)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000002660925 562929628 /nfs/dbraw/zinc/92/96/28/562929628.db2.gz HNWZYRWRWBBCNA-UHFFFAOYSA-N 0 0 448.567 3.884 50 0 IHAARN O=S1(=O)C[C@H]2N=C(N(Cc3c(F)cccc3Cl)c3ccccc3F)S[C@@H]2C1 ZINC000002705710 562929825 /nfs/dbraw/zinc/92/98/25/562929825.db2.gz DEVCPJJPBHURQL-NVXWUHKLSA-N 0 0 428.913 3.893 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)[C@H](C(N)=O)C(C)C)cc1 ZINC000003175701 562932601 /nfs/dbraw/zinc/93/26/01/562932601.db2.gz ICABHLHEBWMNSH-QFIPXVFZSA-N 0 0 449.507 3.693 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ncc(Cl)cc1Cl ZINC000003250071 562933348 /nfs/dbraw/zinc/93/33/48/562933348.db2.gz KVVXQKPHYVBPEO-UHFFFAOYSA-N 0 0 425.253 3.898 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000003411891 562935373 /nfs/dbraw/zinc/93/53/73/562935373.db2.gz TYZUICZPYDKNTQ-KRWDZBQOSA-N 0 0 440.443 3.700 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000003534016 562936435 /nfs/dbraw/zinc/93/64/35/562936435.db2.gz SRYFJOMVAXRWPZ-HOTGVXAUSA-N 0 0 439.537 3.703 50 0 IHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3[nH]c2=S)cc1 ZINC000003632342 562937165 /nfs/dbraw/zinc/93/71/65/562937165.db2.gz SVKPTHMULWSCKM-UHFFFAOYSA-N 0 0 433.489 3.944 50 0 IHAARN Cc1ccc(N(C(=O)[C@H]2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 ZINC000004099669 562941776 /nfs/dbraw/zinc/94/17/76/562941776.db2.gz XQHGHOFDPMYLKY-OAQYLSRUSA-N 0 0 425.573 3.758 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)S[C@H](C)C3)no1 ZINC000006530334 562947108 /nfs/dbraw/zinc/94/71/08/562947108.db2.gz QLBIHRUXZVEWEY-CQSZACIVSA-N 0 0 442.566 3.550 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)NCCc2ccccc2)n1-c1ccc(F)cc1 ZINC000006577899 562947955 /nfs/dbraw/zinc/94/79/55/562947955.db2.gz CPEMKPFNORBDGA-UHFFFAOYSA-N 0 0 449.555 3.787 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008229889 562949155 /nfs/dbraw/zinc/94/91/55/562949155.db2.gz YZVLKFKRDXGCKE-LJQANCHMSA-N 0 0 425.481 3.802 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)cc1C ZINC000008589222 562951101 /nfs/dbraw/zinc/95/11/01/562951101.db2.gz JYBSESFKQIGBIB-UHFFFAOYSA-N 0 0 443.459 3.806 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccc(OCC)cc3)c(=O)c21 ZINC000008590967 562951949 /nfs/dbraw/zinc/95/19/49/562951949.db2.gz AFFOYXLBWZSWMJ-UHFFFAOYSA-N 0 0 432.524 3.519 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N(C)c1ccccc1 ZINC000008593222 562952644 /nfs/dbraw/zinc/95/26/44/562952644.db2.gz DYFQUUUBOQYMOJ-UHFFFAOYSA-N 0 0 433.533 3.553 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCCc1ccccc1)nc2C ZINC000008593488 562952701 /nfs/dbraw/zinc/95/27/01/562952701.db2.gz ZVLXNZHZABBZFE-UHFFFAOYSA-N 0 0 443.551 3.647 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000008594262 562953029 /nfs/dbraw/zinc/95/30/29/562953029.db2.gz MHMCHGCDQHLXTN-UHFFFAOYSA-N 0 0 435.977 3.602 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)cc1OC ZINC000008597146 562953931 /nfs/dbraw/zinc/95/39/31/562953931.db2.gz QERGZMBIQRFOSO-UHFFFAOYSA-N 0 0 443.521 3.552 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2nsc3ccccc32)C1 ZINC000008599185 562954664 /nfs/dbraw/zinc/95/46/64/562954664.db2.gz LSZLJEGUSWTHQQ-HNNXBMFYSA-N 0 0 437.521 3.964 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000008601889 562955656 /nfs/dbraw/zinc/95/56/56/562955656.db2.gz UALYTDJUNZYLGC-KRWDZBQOSA-N 0 0 439.580 3.760 50 0 IHAARN CCOc1ccc(N2C[C@@H](c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)CC2=O)cc1 ZINC000008605165 562956644 /nfs/dbraw/zinc/95/66/44/562956644.db2.gz MTZVACCZKQRVAT-HNNXBMFYSA-N 0 0 439.468 3.682 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCCCCC1 ZINC000008610717 562958281 /nfs/dbraw/zinc/95/82/81/562958281.db2.gz CURSSWIVMDZBKT-UHFFFAOYSA-N 0 0 432.499 3.941 50 0 IHAARN C[C@H](CNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000008611868 562958729 /nfs/dbraw/zinc/95/87/29/562958729.db2.gz QHAPPVHCACNMKP-GOSISDBHSA-N 0 0 439.581 3.886 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000008612292 562959161 /nfs/dbraw/zinc/95/91/61/562959161.db2.gz PBOPYUDUIDXIGW-UHFFFAOYSA-N 0 0 434.473 3.870 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1C ZINC000008619637 562959938 /nfs/dbraw/zinc/95/99/38/562959938.db2.gz NEMZGYIZQBGKOV-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000008626174 562960031 /nfs/dbraw/zinc/96/00/31/562960031.db2.gz UBYYEPRBEYXTCV-UHFFFAOYSA-N 0 0 427.316 3.544 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000008685447 562962467 /nfs/dbraw/zinc/96/24/67/562962467.db2.gz CGMPHEWFDHORKJ-SFQUDFHCSA-N 0 0 445.928 3.745 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000008686244 562962720 /nfs/dbraw/zinc/96/27/20/562962720.db2.gz WDHXEJIEYCEJBR-UHFFFAOYSA-N 0 0 432.571 3.633 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)cc1 ZINC000008824644 562964456 /nfs/dbraw/zinc/96/44/56/562964456.db2.gz LCERDRNIALASDL-AWEZNQCLSA-N 0 0 425.539 3.525 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000008891684 562965794 /nfs/dbraw/zinc/96/57/94/562965794.db2.gz VSULVROZGVVJBH-DEOSSOPVSA-N 0 0 438.503 3.612 50 0 IHAARN O=S(=O)(c1nnn2c3ccsc3c(NCCc3ccccc3)nc12)c1ccccc1 ZINC000009116898 562967200 /nfs/dbraw/zinc/96/72/00/562967200.db2.gz VLTFRYSRVOIUMS-UHFFFAOYSA-N 0 0 435.534 3.826 50 0 IHAARN C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276654 562968712 /nfs/dbraw/zinc/96/87/12/562968712.db2.gz IDACWRWGTDYABJ-INIZCTEOSA-N 0 0 431.583 3.755 50 0 IHAARN O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)Nc1nccs1 ZINC000009366042 562969616 /nfs/dbraw/zinc/96/96/16/562969616.db2.gz JNGAXHWNGHDIOO-UHFFFAOYSA-N 0 0 435.600 3.880 50 0 IHAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1cccs1 ZINC000009492013 562972061 /nfs/dbraw/zinc/97/20/61/562972061.db2.gz MQKARTYUHJGPOQ-UHFFFAOYSA-N 0 0 429.567 3.644 50 0 IHAARN Cc1noc(/C=C/c2cccc(C)c2)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000009503106 562972403 /nfs/dbraw/zinc/97/24/03/562972403.db2.gz LLHVCFQKTPNHQW-MDZDMXLPSA-N 0 0 445.585 3.777 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)cc1OC ZINC000009509483 562972591 /nfs/dbraw/zinc/97/25/91/562972591.db2.gz KUJAHHQMTPAVSJ-UHFFFAOYSA-N 0 0 433.508 3.661 50 0 IHAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009587109 562973604 /nfs/dbraw/zinc/97/36/04/562973604.db2.gz QOMCMBLVBVNGOM-LBPRGKRZSA-N 0 0 427.507 3.634 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cncc(Br)c1 ZINC000009783770 562976910 /nfs/dbraw/zinc/97/69/10/562976910.db2.gz JBTVBRCNGSJHPR-UHFFFAOYSA-N 0 0 438.347 3.579 50 0 IHAARN O=C(NCCc1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012027111 562980401 /nfs/dbraw/zinc/98/04/01/562980401.db2.gz POXNRYHFHIMNAJ-GOSISDBHSA-N 0 0 436.449 3.985 50 0 IHAARN O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)N1CCCCCCC1 ZINC000012049589 562980608 /nfs/dbraw/zinc/98/06/08/562980608.db2.gz DVCSASJXQHJOJX-RUZDIDTESA-N 0 0 437.515 3.600 50 0 IHAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCCSc1ccccc1 ZINC000012982225 562983789 /nfs/dbraw/zinc/98/37/89/562983789.db2.gz NCFXAMQSYIPRDN-LJQANCHMSA-N 0 0 432.611 3.845 50 0 IHAARN O=C(Nc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000013755386 563004261 /nfs/dbraw/zinc/00/42/61/563004261.db2.gz HDSOXZZWAPFKMC-PTKMUVKOSA-N 0 0 437.540 3.749 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000015613965 563017854 /nfs/dbraw/zinc/01/78/54/563017854.db2.gz LPVFWGDNQAMBAP-QEEIZYTISA-N 0 0 428.529 3.555 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000015942251 563019605 /nfs/dbraw/zinc/01/96/05/563019605.db2.gz NQMFFBZZXYKGBC-HOTGVXAUSA-N 0 0 438.553 3.983 50 0 IHAARN CCn1cnc2c1c(=O)n(Cc1csc(-c3ccccc3)n1)c(=O)n2Cc1ccccc1 ZINC000037868050 563096023 /nfs/dbraw/zinc/09/60/23/563096023.db2.gz NJKVULGTEDDDJY-UHFFFAOYSA-N 0 0 443.532 3.600 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056896267 563142709 /nfs/dbraw/zinc/14/27/09/563142709.db2.gz CJHNUDNLJFQKSY-DEOSSOPVSA-N 0 0 434.515 3.523 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038525 563143240 /nfs/dbraw/zinc/14/32/40/563143240.db2.gz JZMFNLBTNDLSMO-QHCPKHFHSA-N 0 0 437.540 3.777 50 0 IHAARN COc1cccc(CN2CCN(Cc3nc(-c4cccc(F)c4F)oc3C)CC2=O)c1 ZINC000059925519 563146902 /nfs/dbraw/zinc/14/69/02/563146902.db2.gz OIHHORDNPPRNOP-UHFFFAOYSA-N 0 0 427.451 3.781 50 0 IHAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NC1CCCCC1 ZINC000065062381 563156786 /nfs/dbraw/zinc/15/67/86/563156786.db2.gz WDVNXBWTOKMYKB-UHFFFAOYSA-N 0 0 449.436 3.750 50 0 IHAARN CC(=O)Nc1cc(NC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C ZINC000072314446 568614590 /nfs/dbraw/zinc/61/45/90/568614590.db2.gz FIRCOTVNRJEDPO-RDTXWAMCSA-N 0 0 434.537 3.835 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(-c4ccccc4F)o3)C(=O)O2)c1 ZINC000019008911 568632021 /nfs/dbraw/zinc/63/20/21/568632021.db2.gz ICRFTQGJYRGTMO-UYRXBGFRSA-N 0 0 440.452 3.681 50 0 IHAARN CC(=O)O[C@H]1CC[C@]2(C)[C@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1C[C@H]2OC(C)=O ZINC000254478203 568644618 /nfs/dbraw/zinc/64/46/18/568644618.db2.gz AEBGBTLRZFVRJG-ZSXHLVCCSA-N 0 0 448.556 3.613 50 0 IHAARN COc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)c(Br)c(OC)c1OC ZINC000000954885 568646996 /nfs/dbraw/zinc/64/69/96/568646996.db2.gz HATYDCFNVLOVGE-UHFFFAOYSA-N 0 0 438.274 3.579 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000970422 568647555 /nfs/dbraw/zinc/64/75/55/568647555.db2.gz ADKSJFNNVTUTBB-HSZRJFAPSA-N 0 0 442.471 3.823 50 0 IHAARN COc1ccc2[nH]c(C)c(CCNC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2c1 ZINC000000974272 568647826 /nfs/dbraw/zinc/64/78/26/568647826.db2.gz QTQYVBPUDGZCEZ-UHFFFAOYSA-N 0 0 434.462 3.938 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(Cl)c1 ZINC000025367633 568654916 /nfs/dbraw/zinc/65/49/16/568654916.db2.gz MLACJIIUSROHGY-UHFFFAOYSA-N 0 0 445.766 3.979 50 0 IHAARN Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000001088429 568658391 /nfs/dbraw/zinc/65/83/91/568658391.db2.gz DINSDWWBTVQIAG-UHFFFAOYSA-N 0 0 442.441 3.872 50 0 IHAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257355884 568731283 /nfs/dbraw/zinc/73/12/83/568731283.db2.gz DGRJLOFFNWNGJO-JXUFMBBRSA-N 0 0 446.628 3.944 50 0 IHAARN Cn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001171825 568735666 /nfs/dbraw/zinc/73/56/66/568735666.db2.gz QAFDYJAGICFNBJ-QGZVFWFLSA-N 0 0 426.929 3.506 50 0 biogenic IHAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C ZINC000025600886 568737148 /nfs/dbraw/zinc/73/71/48/568737148.db2.gz JEVDGRMKMPROTQ-SNVBAGLBSA-N 0 0 434.279 3.883 50 0 IHAARN CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063366629 568739517 /nfs/dbraw/zinc/73/95/17/568739517.db2.gz STIBFMCYJADAHC-VXKWHMMOSA-N 0 0 447.000 3.520 50 0 IHAARN Cc1c(C(=O)OCC(C)C)sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 ZINC000001980631 568742412 /nfs/dbraw/zinc/74/24/12/568742412.db2.gz OAKQNJJJJLTJET-ZDUSSCGKSA-N 0 0 431.489 3.918 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000003227475 568743339 /nfs/dbraw/zinc/74/33/39/568743339.db2.gz HIKLMVHSMRTKOZ-UHFFFAOYSA-N 0 0 430.555 3.796 50 0 IHAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003269265 568744675 /nfs/dbraw/zinc/74/46/75/568744675.db2.gz BEUXSTTXNLYALF-UHFFFAOYSA-N 0 0 438.189 3.794 50 0 IHAARN COc1ccc(CC(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1OC ZINC000043990409 568745128 /nfs/dbraw/zinc/74/51/28/568745128.db2.gz TWKPBVSGALAMRG-UHFFFAOYSA-N 0 0 436.508 3.661 50 0 IHAARN O=C(CSc1ncnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003297272 568745342 /nfs/dbraw/zinc/74/53/42/568745342.db2.gz KDEAHLYALIQACK-UHFFFAOYSA-N 0 0 442.566 3.535 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ncc(Br)s1 ZINC000003340847 568746470 /nfs/dbraw/zinc/74/64/70/568746470.db2.gz VXTWLAFZZXPCNX-UHFFFAOYSA-N 0 0 445.294 3.932 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003343175 568746779 /nfs/dbraw/zinc/74/67/79/568746779.db2.gz VYWSKOZWPUVJON-UHFFFAOYSA-N 0 0 427.353 3.506 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)ccc1C ZINC000003385326 568748311 /nfs/dbraw/zinc/74/83/11/568748311.db2.gz YHWVDPOAPSJSAH-UHFFFAOYSA-N 0 0 442.537 3.855 50 0 IHAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)CC2 ZINC000003419760 568748677 /nfs/dbraw/zinc/74/86/77/568748677.db2.gz VYXJUISFGXAKRK-UHFFFAOYSA-N 0 0 430.504 3.932 50 0 IHAARN CC(=O)c1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003448476 568749567 /nfs/dbraw/zinc/74/95/67/568749567.db2.gz UMCOQMBEONINDE-UHFFFAOYSA-N 0 0 442.562 3.771 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000003500326 568750224 /nfs/dbraw/zinc/75/02/24/568750224.db2.gz KGMHQJKQZJRESF-UHFFFAOYSA-N 0 0 445.972 3.885 50 0 IHAARN CC1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)CC1 ZINC000003503016 568750390 /nfs/dbraw/zinc/75/03/90/568750390.db2.gz OTHWJIFJRKKNPW-UHFFFAOYSA-N 0 0 440.883 3.556 50 0 IHAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000299765433 568756226 /nfs/dbraw/zinc/75/62/26/568756226.db2.gz GSGHCSQHDUDVBV-DEOSSOPVSA-N 0 0 443.588 3.593 50 0 IHAARN O=C(Cc1cccc2ccccc21)N1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299786417 568757462 /nfs/dbraw/zinc/75/74/62/568757462.db2.gz LNQRBRJLQKYVTO-DEOSSOPVSA-N 0 0 427.548 3.765 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015390871 568761425 /nfs/dbraw/zinc/76/14/25/568761425.db2.gz NYFBWCAYXANJRE-SFHVURJKSA-N 0 0 432.542 3.584 50 0 IHAARN O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccc(O)cc1 ZINC000001237687 568774315 /nfs/dbraw/zinc/77/43/15/568774315.db2.gz IJFWNEHVOFYLOW-OQLLNIDSSA-N 0 0 433.283 3.830 50 0 IHAARN CCN(c1ccccc1)c1nc2nonc2nc1Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001277927 568775787 /nfs/dbraw/zinc/77/57/87/568775787.db2.gz IMOMCTDLULTIIE-UHFFFAOYSA-N 0 0 442.483 3.712 50 0 IHAARN Cc1ccsc1CNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000025717434 568776268 /nfs/dbraw/zinc/77/62/68/568776268.db2.gz NTGVDAZLSIZTJE-UHFFFAOYSA-N 0 0 436.580 3.638 50 0 IHAARN CCOc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)cc1 ZINC000263616209 568776463 /nfs/dbraw/zinc/77/64/63/568776463.db2.gz HPTZYJXYRRJGHI-HSZRJFAPSA-N 0 0 449.507 3.725 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)c(OC)c1 ZINC000263616184 568776526 /nfs/dbraw/zinc/77/65/26/568776526.db2.gz HMZPKBKOGJKNFY-UHFFFAOYSA-N 0 0 432.476 3.877 50 0 IHAARN O=C1NC[C@H](NCc2cccc(Br)c2)n2nc(-c3ccc(Cl)cc3)cc21 ZINC000263617541 568777223 /nfs/dbraw/zinc/77/72/23/568777223.db2.gz OHGGREGNOWJSIP-GOSISDBHSA-N 0 0 431.721 3.998 50 0 IHAARN Cc1ccc(-c2nc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)no2)cc1C ZINC000263619023 568777803 /nfs/dbraw/zinc/77/78/03/568777803.db2.gz WNLJQPXYDOKBKU-UHFFFAOYSA-N 0 0 445.454 3.510 50 0 IHAARN CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032103451 568780868 /nfs/dbraw/zinc/78/08/68/568780868.db2.gz GDGAFKOCTHSBRD-UHFFFAOYSA-N 0 0 428.286 3.583 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CN3CCC[C@@H]3CC(=O)c3ccco3)s2)cc1 ZINC000083949952 568786696 /nfs/dbraw/zinc/78/66/96/568786696.db2.gz TTZGQUZYFJHRJE-OAHLLOKOSA-N 0 0 426.498 3.629 50 0 IHAARN CS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)cs2)c(S(C)(=O)=O)c1 ZINC000083989559 568788784 /nfs/dbraw/zinc/78/87/84/568788784.db2.gz WUTDEOGNPGTKJE-UHFFFAOYSA-N 0 0 425.578 3.768 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 ZINC000019190814 568789477 /nfs/dbraw/zinc/78/94/77/568789477.db2.gz HWCUARGHRPAJDP-OAHLLOKOSA-N 0 0 430.482 3.855 50 0 IHAARN O=C(/N=c1\sn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1)c1ccccc1 ZINC000001417148 568790997 /nfs/dbraw/zinc/79/09/97/568790997.db2.gz CZWPGYSSAPYOHS-RWEWTDSWSA-N 0 0 432.480 3.744 50 0 IHAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OC[C@H]4CCCO4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000001422006 568793167 /nfs/dbraw/zinc/79/31/67/568793167.db2.gz OGMHQPXXLYTHDT-GDBMZVCRSA-N 0 0 443.496 3.597 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422489 568793358 /nfs/dbraw/zinc/79/33/58/568793358.db2.gz CERHCYKACCXTPT-LJQANCHMSA-N 0 0 430.457 3.518 50 0 IHAARN Cc1nc(C)n(Cc2cccc(NC(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)c2)n1 ZINC000084111513 568793580 /nfs/dbraw/zinc/79/35/80/568793580.db2.gz YKLJGNWQNVTQCD-UHFFFAOYSA-N 0 0 448.575 3.519 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2=O ZINC000084207944 568796205 /nfs/dbraw/zinc/79/62/05/568796205.db2.gz NAYFKTYHGSAHBE-INIZCTEOSA-N 0 0 426.900 3.705 50 0 IHAARN Cc1csc([C@@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 ZINC000084268106 568796864 /nfs/dbraw/zinc/79/68/64/568796864.db2.gz CDNCBYVBOXVLNC-YOEHRIQHSA-N 0 0 434.867 3.845 50 0 IHAARN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1[nH]nc(C2CC2)c1Br ZINC000084344550 568797175 /nfs/dbraw/zinc/79/71/75/568797175.db2.gz UZYWGJBJTWYSMD-SNVBAGLBSA-N 0 0 425.277 3.584 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cn1cccn1 ZINC000084647837 568799514 /nfs/dbraw/zinc/79/95/14/568799514.db2.gz DIQNDMYLRJGJMK-FDDCHVKYSA-N 0 0 435.524 3.989 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000084798499 568801588 /nfs/dbraw/zinc/80/15/88/568801588.db2.gz PRGQHZONFGXFBG-KRWDZBQOSA-N 0 0 446.569 3.791 50 0 IHAARN COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC ZINC000015681292 568806426 /nfs/dbraw/zinc/80/64/26/568806426.db2.gz BJSVQGMXTSUZRO-UHFFFAOYSA-N 0 0 430.508 3.961 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1ccc(-n2c3ncccc3nc2-c2ccccc2)cc1 ZINC000015681977 568806943 /nfs/dbraw/zinc/80/69/43/568806943.db2.gz KNWUYDBXHJUADG-UHFFFAOYSA-N 0 0 439.519 3.830 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000032482596 568807532 /nfs/dbraw/zinc/80/75/32/568807532.db2.gz NXAZQUIIIRIBMN-HNNXBMFYSA-N 0 0 443.357 3.507 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726260 568812254 /nfs/dbraw/zinc/81/22/54/568812254.db2.gz GGMDWPKRVAKGFN-GOSISDBHSA-N 0 0 436.512 3.913 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000015725833 568812361 /nfs/dbraw/zinc/81/23/61/568812361.db2.gz PTEMDFWXBWTHGB-UHFFFAOYSA-N 0 0 435.977 3.602 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)ccc2S1 ZINC000015730590 568814180 /nfs/dbraw/zinc/81/41/80/568814180.db2.gz MLNNXQBMGQBAEY-HNNXBMFYSA-N 0 0 449.573 3.503 50 0 IHAARN CCc1cc2c(cc1S(=O)(=O)N1CCN(c3ccccc3)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733845 568816072 /nfs/dbraw/zinc/81/60/72/568816072.db2.gz WLDYRDVLRJJSNN-UHFFFAOYSA-N 0 0 437.565 3.760 50 0 IHAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000015734414 568816283 /nfs/dbraw/zinc/81/62/83/568816283.db2.gz DNNXPKXSSDIIKI-UHFFFAOYSA-N 0 0 438.963 3.782 50 0 IHAARN CCOc1ccc(CCNC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1OCC ZINC000015736197 568817199 /nfs/dbraw/zinc/81/71/99/568817199.db2.gz QZXOVMLSDPTHMA-UHFFFAOYSA-N 0 0 426.517 3.615 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000015738710 568819229 /nfs/dbraw/zinc/81/92/29/568819229.db2.gz IEXNDPYOAIORAR-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000001464710 568820230 /nfs/dbraw/zinc/82/02/30/568820230.db2.gz UKUJCVCQNABSFR-MRXNPFEDSA-N 0 0 428.554 3.862 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000015772115 568822628 /nfs/dbraw/zinc/82/26/28/568822628.db2.gz QYZIWUQOAGRXBY-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NCc1ccc(F)cc1 ZINC000015776213 568823847 /nfs/dbraw/zinc/82/38/47/568823847.db2.gz XVNDJJWYUGCTQT-UHFFFAOYSA-N 0 0 438.894 3.778 50 0 IHAARN COc1cc([C@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)cc(OC)c1OC ZINC000085587487 568825331 /nfs/dbraw/zinc/82/53/31/568825331.db2.gz REUPMEMZSSGMFF-HXUWFJFHSA-N 0 0 442.497 3.572 50 0 IHAARN COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4cccc(C)c4)no3)ccc2c1=O ZINC000085601898 568827214 /nfs/dbraw/zinc/82/72/14/568827214.db2.gz UGCDXMSNKIGCBX-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000085642811 568829241 /nfs/dbraw/zinc/82/92/41/568829241.db2.gz CVDAPFRETFLUKV-UHFFFAOYSA-N 0 0 438.553 3.529 50 0 IHAARN CCN1CCN(C(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)CC1 ZINC000015785942 568834147 /nfs/dbraw/zinc/83/41/47/568834147.db2.gz XYTDGZYOFIJJQP-UHFFFAOYSA-N 0 0 430.552 3.990 50 0 IHAARN COCCN(Cc1ccc(C)c(Br)c1)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000085690399 568834270 /nfs/dbraw/zinc/83/42/70/568834270.db2.gz KMPWEWYKDFGORD-UHFFFAOYSA-N 0 0 429.318 3.831 50 0 IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cnn(C)c3)CC(=O)O4)c2=O)cc1 ZINC000085875782 568838115 /nfs/dbraw/zinc/83/81/15/568838115.db2.gz LIKOXBJIIFQIOD-MRXNPFEDSA-N 0 0 432.432 3.652 50 0 biogenic IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cnn(C)c3C)CC(=O)O4)c2=O)cc1 ZINC000085877106 568838596 /nfs/dbraw/zinc/83/85/96/568838596.db2.gz BSKRFMDYMZPUTN-INIZCTEOSA-N 0 0 446.459 3.960 50 0 biogenic IHAARN COc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1 ZINC000015827844 568841139 /nfs/dbraw/zinc/84/11/39/568841139.db2.gz GXLSYKCVVWUUCN-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccc(OC)cc2)[C@H]1O ZINC000043763368 568843157 /nfs/dbraw/zinc/84/31/57/568843157.db2.gz UMULJXSSKJYXCM-RCQJKQRMSA-N 0 0 432.538 3.534 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc(C(=O)OC)cc1 ZINC000006134423 568845072 /nfs/dbraw/zinc/84/50/72/568845072.db2.gz UJFYQFHFJVOKQS-UHFFFAOYSA-N 0 0 433.555 3.563 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000006134888 568845082 /nfs/dbraw/zinc/84/50/82/568845082.db2.gz KEEOIRIOLDDHSR-QFIPXVFZSA-N 0 0 448.548 3.527 50 0 IHAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 ZINC000006144414 568846072 /nfs/dbraw/zinc/84/60/72/568846072.db2.gz PEIUKBLOXHEPFU-JOCHJYFZSA-N 0 0 439.479 3.575 50 0 IHAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000015867939 568851455 /nfs/dbraw/zinc/85/14/55/568851455.db2.gz QOQJWTNTZCXLGH-GFCCVEGCSA-N 0 0 436.493 3.982 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)c1 ZINC000015881056 568855524 /nfs/dbraw/zinc/85/55/24/568855524.db2.gz VQMYYBHQAQKDIQ-UHFFFAOYSA-N 0 0 441.509 3.911 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)cc1 ZINC000015882698 568857264 /nfs/dbraw/zinc/85/72/64/568857264.db2.gz CXLZZNGERVZSTL-UHFFFAOYSA-N 0 0 449.558 3.510 50 0 IHAARN O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccc2c(c1)OCO2 ZINC000015882667 568857330 /nfs/dbraw/zinc/85/73/30/568857330.db2.gz YPJHWNFOMRFHKX-UHFFFAOYSA-N 0 0 447.473 3.781 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1cccc(Cl)c1 ZINC000015882769 568857423 /nfs/dbraw/zinc/85/74/23/568857423.db2.gz XMBXJGCPSJGODV-UHFFFAOYSA-N 0 0 426.929 3.560 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000015883309 568857549 /nfs/dbraw/zinc/85/75/49/568857549.db2.gz HDGLHAVTHONCLW-UHFFFAOYSA-N 0 0 427.460 3.874 50 0 IHAARN COc1cccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 ZINC000015883365 568857617 /nfs/dbraw/zinc/85/76/17/568857617.db2.gz PESFRXJKKLXGHC-UHFFFAOYSA-N 0 0 431.467 3.565 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)N(C3CC3)C(=S)N[C@@H]2c2ccc(-n3cncn3)cc2)cc1 ZINC000012897569 568858458 /nfs/dbraw/zinc/85/84/58/568858458.db2.gz CFXQXNJBCFWWMZ-JOCHJYFZSA-N 0 0 444.564 3.882 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000026130626 568859455 /nfs/dbraw/zinc/85/94/55/568859455.db2.gz NXLPNVMVXSDDCL-INIZCTEOSA-N 0 0 428.558 3.593 50 0 IHAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccsc3)s2)c1 ZINC000575414091 568860804 /nfs/dbraw/zinc/86/08/04/568860804.db2.gz SAIKIZLMANQETF-UHFFFAOYSA-N 0 0 437.564 3.793 50 0 IHAARN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000063824224 568868941 /nfs/dbraw/zinc/86/89/41/568868941.db2.gz ZPYOZDROVRERLB-QFIPXVFZSA-N 0 0 429.520 3.913 50 0 IHAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000016048023 568869312 /nfs/dbraw/zinc/86/93/12/568869312.db2.gz XJGATEIDWGXAIO-GFCCVEGCSA-N 0 0 439.530 3.601 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000016084003 568869975 /nfs/dbraw/zinc/86/99/75/568869975.db2.gz SCDXWYJZEVBTJN-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN COc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 ZINC000016129372 568871652 /nfs/dbraw/zinc/87/16/52/568871652.db2.gz HJIZMJIHDDASHE-RBBKRZOGSA-N 0 0 448.475 3.816 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc1 ZINC000006190542 568874921 /nfs/dbraw/zinc/87/49/21/568874921.db2.gz KWLYGMUSSXVRCZ-UHFFFAOYSA-N 0 0 441.484 3.822 50 0 IHAARN NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 ZINC000016297878 568876190 /nfs/dbraw/zinc/87/61/90/568876190.db2.gz UTLKLQRDLLSXTG-UHFFFAOYSA-N 0 0 432.448 3.779 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000006198994 568877123 /nfs/dbraw/zinc/87/71/23/568877123.db2.gz IFUCKIZXZYGLGD-UHFFFAOYSA-N 0 0 426.523 3.565 50 0 IHAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cnc(Cl)c(Cl)c1 ZINC000002616346 568877395 /nfs/dbraw/zinc/87/73/95/568877395.db2.gz JDUMOOMBGSLRNA-UHFFFAOYSA-N 0 0 429.057 3.516 50 0 IHAARN CC(C)Sc1ccc(CC(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575615773 568881310 /nfs/dbraw/zinc/88/13/10/568881310.db2.gz UXYQNFJYOMMLGC-UHFFFAOYSA-N 0 0 442.507 3.507 50 0 IHAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(=O)n(Cc2cccc(F)c2)n1 ZINC000575618366 568882000 /nfs/dbraw/zinc/88/20/00/568882000.db2.gz AYGIDHIOVIIKEM-UHFFFAOYSA-N 0 0 443.482 3.883 50 0 IHAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)Nc1ccccc1-c1cn3c(n1)CCCC3)CS2 ZINC000575620787 568883043 /nfs/dbraw/zinc/88/30/43/568883043.db2.gz SWUQCUOAPARACP-MRXNPFEDSA-N 0 0 435.553 3.736 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000009464938 568883625 /nfs/dbraw/zinc/88/36/25/568883625.db2.gz YLLWPBLCQZTYQT-UHFFFAOYSA-N 0 0 440.949 3.705 50 0 IHAARN C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012980291 568892177 /nfs/dbraw/zinc/89/21/77/568892177.db2.gz YPRDDIOPXFXYKZ-HNNXBMFYSA-N 0 0 433.464 3.705 50 0 IHAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC ZINC000004082735 568892182 /nfs/dbraw/zinc/89/21/82/568892182.db2.gz YTVLZQAMDFWOIX-OPXMRZJTSA-N 0 0 430.589 3.821 50 0 biogenic IHAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012982907 568894900 /nfs/dbraw/zinc/89/49/00/568894900.db2.gz PKRRWJBWBRCOFH-KRWDZBQOSA-N 0 0 449.619 3.974 50 0 IHAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCCOc1ccccc1 ZINC000012983558 568895528 /nfs/dbraw/zinc/89/55/28/568895528.db2.gz BCRDHNZXNZGNLE-UHFFFAOYSA-N 0 0 429.538 3.746 50 0 IHAARN CCOC(=O)COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000032916083 568895940 /nfs/dbraw/zinc/89/59/40/568895940.db2.gz LTWIGKRKZFBZQD-RCLKMUNOSA-N 0 0 443.496 3.545 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012997778 568896923 /nfs/dbraw/zinc/89/69/23/568896923.db2.gz MLJVMJVMELCFTR-MRXNPFEDSA-N 0 0 442.943 3.711 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)nnc1C1CC1 ZINC000013002788 568898585 /nfs/dbraw/zinc/89/85/85/568898585.db2.gz HEUYISQYOFRTIE-AWEZNQCLSA-N 0 0 439.463 3.574 50 0 IHAARN COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000013001152 568898689 /nfs/dbraw/zinc/89/86/89/568898689.db2.gz FKJOEAPMYFHOMF-UHFFFAOYSA-N 0 0 432.314 3.907 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000013005093 568899033 /nfs/dbraw/zinc/89/90/33/568899033.db2.gz IEVVMGZLRMPBNS-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)[nH]c2=O ZINC000013015463 568901454 /nfs/dbraw/zinc/90/14/54/568901454.db2.gz UGEWAKXIYTVVIA-LJQANCHMSA-N 0 0 435.480 3.620 50 0 IHAARN CCOC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 ZINC000001774122 568906375 /nfs/dbraw/zinc/90/63/75/568906375.db2.gz IZYCRXXURZCZHP-NSHDSACASA-N 0 0 438.600 3.813 50 0 IHAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)NCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000035712335 568907696 /nfs/dbraw/zinc/90/76/96/568907696.db2.gz AMEWSOWJGHQURE-OAQYLSRUSA-N 0 0 436.512 3.932 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@H]1c1nc3ccccc3s1)C2=O ZINC000239433426 568911488 /nfs/dbraw/zinc/91/14/88/568911488.db2.gz XROQYLQZQPBBHA-DLYSWHJUSA-N 0 0 440.569 3.851 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000241586386 568912404 /nfs/dbraw/zinc/91/24/04/568912404.db2.gz OVNONBJEWCHLPN-WMZOPIPTSA-N 0 0 443.594 3.509 50 0 IHAARN O=C(c1ccc(F)cc1)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000241588572 568912418 /nfs/dbraw/zinc/91/24/18/568912418.db2.gz PEDMDBCQTVWJKR-HUVFLSCGSA-N 0 0 435.543 3.948 50 0 IHAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000241897133 568912502 /nfs/dbraw/zinc/91/25/02/568912502.db2.gz TVVXSNKXYHGULA-VAMGGRTRSA-N 0 0 432.517 3.512 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245312295 568914764 /nfs/dbraw/zinc/91/47/64/568914764.db2.gz SZVXYWDZONQOJK-GHDARCQNSA-N 0 0 431.536 3.835 50 0 IHAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000245324908 568914862 /nfs/dbraw/zinc/91/48/62/568914862.db2.gz CGDNNSCPXPIDBQ-DNVJHFABSA-N 0 0 429.476 3.922 50 0 IHAARN CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1(Sc1ccccc1)Sc1ccccc1 ZINC000006461762 568918469 /nfs/dbraw/zinc/91/84/69/568918469.db2.gz ANJDKLFQCVWTQW-INIZCTEOSA-N 0 0 432.592 3.673 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccco3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000248134772 568918978 /nfs/dbraw/zinc/91/89/78/568918978.db2.gz MERCIVODUDVRBD-GSPCLOLRSA-N 0 0 440.455 3.687 50 0 IHAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)NCc1ccccc1 ZINC000001907013 568919501 /nfs/dbraw/zinc/91/95/01/568919501.db2.gz WDDMDAYJCDXUOO-UHFFFAOYSA-N 0 0 446.532 3.864 50 0 IHAARN CC(=O)c1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000089292243 568920011 /nfs/dbraw/zinc/92/00/11/568920011.db2.gz SVLNGQAEBBKEJW-UHFFFAOYSA-N 0 0 427.548 3.917 50 0 IHAARN CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2c(c1)CCO2 ZINC000089334948 568920558 /nfs/dbraw/zinc/92/05/58/568920558.db2.gz YPXJYXUBNSHYSB-VXKWHMMOSA-N 0 0 434.536 3.712 50 0 IHAARN COc1c2c(cc3c1[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC3)OCO2 ZINC000035780901 568922633 /nfs/dbraw/zinc/92/26/33/568922633.db2.gz UANHUPNCALBPHC-QHCPKHFHSA-N 0 0 430.504 3.859 50 0 biogenic IHAARN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917021 568922694 /nfs/dbraw/zinc/92/26/94/568922694.db2.gz SSQZVKHNFDRTPE-JOCHJYFZSA-N 0 0 436.508 3.614 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917035 568922695 /nfs/dbraw/zinc/92/26/95/568922695.db2.gz MVGHAZNESHKZEK-IBGZPJMESA-N 0 0 442.899 3.841 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002145979 568925098 /nfs/dbraw/zinc/92/50/98/568925098.db2.gz CZEONOIBXLNPRL-AEFFLSMTSA-N 0 0 425.554 3.621 50 0 IHAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000064438514 568928196 /nfs/dbraw/zinc/92/81/96/568928196.db2.gz LUXPTXZMJGYBFS-UHFFFAOYSA-N 0 0 441.959 3.807 50 0 IHAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000006547575 568930924 /nfs/dbraw/zinc/93/09/24/568930924.db2.gz XADRACODGWZAHS-VQTJNVASSA-N 0 0 445.560 3.698 50 0 IHAARN Cc1ccc(CC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1 ZINC000064566135 568932977 /nfs/dbraw/zinc/93/29/77/568932977.db2.gz AOYYQKNLOWTOJN-UHFFFAOYSA-N 0 0 431.471 3.712 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)cc1C ZINC000064567201 568933367 /nfs/dbraw/zinc/93/33/67/568933367.db2.gz DDJXDFMKFGDWST-UHFFFAOYSA-N 0 0 431.536 3.722 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c1 ZINC000064566733 568933550 /nfs/dbraw/zinc/93/35/50/568933550.db2.gz INYGTDRCGJPBFI-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN CCOc1cccc(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)c1 ZINC000064567220 568933614 /nfs/dbraw/zinc/93/36/14/568933614.db2.gz BSPHSYWQBQWTAL-UHFFFAOYSA-N 0 0 447.535 3.504 50 0 IHAARN COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)s1 ZINC000064579626 568934236 /nfs/dbraw/zinc/93/42/36/568934236.db2.gz ZPVHREUHMOADPI-UHFFFAOYSA-N 0 0 437.481 3.727 50 0 IHAARN CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)c(C(=O)[O-])c2)CC1 ZINC000064590112 568935247 /nfs/dbraw/zinc/93/52/47/568935247.db2.gz MPMCGRHFRXTOPF-UHFFFAOYSA-N 0 0 446.345 3.932 50 0 IHAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccc(F)cc6)CC5)n3n2)CCC4)cc1 ZINC000064592864 568935605 /nfs/dbraw/zinc/93/56/05/568935605.db2.gz KPAFIEBGNSUSKZ-UHFFFAOYSA-N 0 0 442.542 3.978 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3c[nH]cn3)Cc3ccccc3)c(=O)oc2c1 ZINC000089568295 568937728 /nfs/dbraw/zinc/93/77/28/568937728.db2.gz WCYSFFOHDFRCAB-LJQANCHMSA-N 0 0 445.519 3.736 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689886 568938330 /nfs/dbraw/zinc/93/83/30/568938330.db2.gz OWJZOMXXVCFLQC-UHFFFAOYSA-N 0 0 444.377 3.582 50 0 IHAARN COCCn1ccc2c(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cccc2c1=O ZINC000016689941 568938531 /nfs/dbraw/zinc/93/85/31/568938531.db2.gz WJMMVIIIXFCJPS-UHFFFAOYSA-N 0 0 436.386 3.564 50 0 IHAARN O=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1ccc(F)cc1 ZINC000064605101 568939066 /nfs/dbraw/zinc/93/90/66/568939066.db2.gz XFDINOWDQLWNSZ-UHFFFAOYSA-N 0 0 442.450 3.940 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036083828 568947559 /nfs/dbraw/zinc/94/75/59/568947559.db2.gz BFTZNMHTVTUGRE-QFIPXVFZSA-N 0 0 440.496 3.605 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083893 568947577 /nfs/dbraw/zinc/94/75/77/568947577.db2.gz GLJKBJLLPDZFCY-NRFANRHFSA-N 0 0 428.460 3.817 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036083807 568947614 /nfs/dbraw/zinc/94/76/14/568947614.db2.gz BIYQEFCWAVXONK-OAQYLSRUSA-N 0 0 440.496 3.605 50 0 IHAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)Nc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085810 568948347 /nfs/dbraw/zinc/94/83/47/568948347.db2.gz WEUKJKPEVKOGHG-INIZCTEOSA-N 0 0 446.894 3.909 50 0 IHAARN COc1cc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc(OC)c1 ZINC000064746842 568949525 /nfs/dbraw/zinc/94/95/25/568949525.db2.gz UVISISVPCRIJKG-UHFFFAOYSA-N 0 0 438.509 3.587 50 0 IHAARN O=C(Cc1ccccc1Cl)NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000064757148 568951383 /nfs/dbraw/zinc/95/13/83/568951383.db2.gz YJUKKQQMTDHMNM-UHFFFAOYSA-N 0 0 427.980 3.838 50 0 IHAARN COCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)Cc1ccccc1 ZINC000036106225 568953725 /nfs/dbraw/zinc/95/37/25/568953725.db2.gz DJRUFJFSHRISAG-UHFFFAOYSA-N 0 0 426.538 3.948 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 ZINC000064775304 568954519 /nfs/dbraw/zinc/95/45/19/568954519.db2.gz FXXJNBWJVWTSRD-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 ZINC000064787956 568956475 /nfs/dbraw/zinc/95/64/75/568956475.db2.gz NTMFZFQLNAUWQT-UHFFFAOYSA-N 0 0 449.488 3.861 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C ZINC000036122048 568958192 /nfs/dbraw/zinc/95/81/92/568958192.db2.gz LOOKHPJEYITPDQ-FQEVSTJZSA-N 0 0 444.597 3.836 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)NCC ZINC000036123262 568958467 /nfs/dbraw/zinc/95/84/67/568958467.db2.gz BNPWLEMKCGJNOE-IBGZPJMESA-N 0 0 433.549 3.834 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036123801 568958674 /nfs/dbraw/zinc/95/86/74/568958674.db2.gz IFZHCJRYKNPKSL-FQEVSTJZSA-N 0 0 445.560 3.834 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)NCC ZINC000036123648 568958756 /nfs/dbraw/zinc/95/87/56/568958756.db2.gz XPQHHCXGNTUHRW-IBGZPJMESA-N 0 0 433.549 3.834 50 0 IHAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000006708970 568958848 /nfs/dbraw/zinc/95/88/48/568958848.db2.gz KAOPTQIFHNKYNE-UHFFFAOYSA-N 0 0 426.561 3.848 50 0 IHAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cc(F)cc(F)c2)c1C ZINC000064792322 568959284 /nfs/dbraw/zinc/95/92/84/568959284.db2.gz ZYDMGTIEHPLIDF-UHFFFAOYSA-N 0 0 437.450 3.736 50 0 IHAARN Cc1ccccc1CNC(=O)CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792563 568959380 /nfs/dbraw/zinc/95/93/80/568959380.db2.gz SNWUBGNVZWXHJD-DEOSSOPVSA-N 0 0 436.519 3.748 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCCCC1 ZINC000064792867 568959420 /nfs/dbraw/zinc/95/94/20/568959420.db2.gz NITMPALWVDHHAC-OAQYLSRUSA-N 0 0 434.931 3.790 50 0 IHAARN COc1cccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)c1 ZINC000064792502 568959440 /nfs/dbraw/zinc/95/94/40/568959440.db2.gz XQUWCVXYLVUIKF-HSZRJFAPSA-N 0 0 438.491 3.771 50 0 IHAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)N3CCCCCC3)c3nnnn32)cc1 ZINC000064793061 568959627 /nfs/dbraw/zinc/95/96/27/568959627.db2.gz QIDIITXPEHLOMW-HSZRJFAPSA-N 0 0 428.540 3.835 50 0 IHAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000064799193 568960782 /nfs/dbraw/zinc/96/07/82/568960782.db2.gz LCYGCDYPZLAIHP-HNNXBMFYSA-N 0 0 443.502 3.792 50 0 IHAARN O[C@H](COCc1ccco1)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147122 568962466 /nfs/dbraw/zinc/96/24/66/568962466.db2.gz DWKUTFMTUVEFPC-GMAHTHKFSA-N 0 0 438.499 3.992 50 0 IHAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)c1ccccc1 ZINC000036161398 568967491 /nfs/dbraw/zinc/96/74/91/568967491.db2.gz OOSFZCZXHNKDKU-LPHOPBHVSA-N 0 0 441.597 3.682 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1Cl ZINC000064841349 568969894 /nfs/dbraw/zinc/96/98/94/568969894.db2.gz LQQISIGNHNTWCM-UHFFFAOYSA-N 0 0 442.324 3.915 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Cl)s1 ZINC000064838757 568970227 /nfs/dbraw/zinc/97/02/27/568970227.db2.gz UYPSQVXARQHGET-UHFFFAOYSA-N 0 0 436.942 3.652 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1C ZINC000064838695 568970330 /nfs/dbraw/zinc/97/03/30/568970330.db2.gz OJBOHJKSJSOZMX-UHFFFAOYSA-N 0 0 442.512 3.693 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc1 ZINC000064841951 568970635 /nfs/dbraw/zinc/97/06/35/568970635.db2.gz CXTDGGOGJSBLKJ-UHFFFAOYSA-N 0 0 447.532 3.849 50 0 IHAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)on1 ZINC000064845581 568972063 /nfs/dbraw/zinc/97/20/63/568972063.db2.gz FYCURFJNKCHFCF-UHFFFAOYSA-N 0 0 435.546 3.978 50 0 IHAARN C[C@H]1CCCCN1C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209132 568973617 /nfs/dbraw/zinc/97/36/17/568973617.db2.gz XOIMUCBQFOWVDQ-UWJYYQICSA-N 0 0 445.629 3.676 50 0 IHAARN CC(C)CC(=O)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209776 568974265 /nfs/dbraw/zinc/97/42/65/568974265.db2.gz DNOIWGCZPRIMCS-JOCHJYFZSA-N 0 0 448.007 3.736 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N1CCCc2ccccc21 ZINC000064866533 568974627 /nfs/dbraw/zinc/97/46/27/568974627.db2.gz HMGKDCNIGRRCCO-UHFFFAOYSA-N 0 0 440.521 3.802 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N(C)c1ccc(C)cc1 ZINC000064866670 568974663 /nfs/dbraw/zinc/97/46/63/568974663.db2.gz PIEJXRNVTMDBGI-UHFFFAOYSA-N 0 0 428.510 3.794 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036211831 568975646 /nfs/dbraw/zinc/97/56/46/568975646.db2.gz DMNDAQLZNGMMIW-JOCHJYFZSA-N 0 0 429.605 3.540 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036212171 568976076 /nfs/dbraw/zinc/97/60/76/568976076.db2.gz QCKJMVDZOOLULG-AUSIDOKSSA-N 0 0 443.632 3.929 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036212640 568976634 /nfs/dbraw/zinc/97/66/34/568976634.db2.gz ZSYDHZIHWVOGNC-XXBNENTESA-N 0 0 435.568 3.561 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036212797 568976647 /nfs/dbraw/zinc/97/66/47/568976647.db2.gz GYEVZOYINRDMDZ-HSZRJFAPSA-N 0 0 439.600 3.535 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1 ZINC000064872052 568977769 /nfs/dbraw/zinc/97/77/69/568977769.db2.gz BCUBUFRHVGXCNB-UHFFFAOYSA-N 0 0 448.497 3.751 50 0 IHAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccncc1)c1ccc(F)c(Cl)c1 ZINC000064888111 568979313 /nfs/dbraw/zinc/97/93/13/568979313.db2.gz MLRVRPJQEDDBJP-UHFFFAOYSA-N 0 0 430.892 3.869 50 0 IHAARN CCc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1 ZINC000064889038 568980007 /nfs/dbraw/zinc/98/00/07/568980007.db2.gz 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O=C(NC1CC1)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065063619 569097625 /nfs/dbraw/zinc/09/76/25/569097625.db2.gz SLMRLRNWQGPNQI-UHFFFAOYSA-N 0 0 427.457 3.706 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)cc1 ZINC000065063365 569097843 /nfs/dbraw/zinc/09/78/43/569097843.db2.gz ZPJRAJDBFNLPCO-UHFFFAOYSA-N 0 0 439.493 3.576 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(Cl)cc5OC)n4)c3CO2)cc1 ZINC000169769061 569098130 /nfs/dbraw/zinc/09/81/30/569098130.db2.gz LNWGHXKTDQONET-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c(OC)c1 ZINC000169770852 569098333 /nfs/dbraw/zinc/09/83/33/569098333.db2.gz LXUOVWAJCGBPOE-GOSISDBHSA-N 0 0 439.859 3.937 50 0 IHAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cn2nc(SC)sc2=S)CC1 ZINC000036393898 569098642 /nfs/dbraw/zinc/09/86/42/569098642.db2.gz DLJFCCXGPLBNBS-AWEZNQCLSA-N 0 0 445.035 3.539 50 0 IHAARN COC(=O)c1cn(CC(=O)N(C)Cc2nc3ccccc3n2C(F)F)c2ccccc12 ZINC000036395230 569098711 /nfs/dbraw/zinc/09/87/11/569098711.db2.gz SJVIWCRTBSRVPK-UHFFFAOYSA-N 0 0 426.423 3.831 50 0 IHAARN CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065077719 569100619 /nfs/dbraw/zinc/10/06/19/569100619.db2.gz RCXNWOZHPJXCHM-ZDUSSCGKSA-N 0 0 446.550 3.515 50 0 IHAARN C[C@H]1CSc2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)cc2NC1=O ZINC000065078422 569100634 /nfs/dbraw/zinc/10/06/34/569100634.db2.gz WEHSZCSAXVOVFC-LBPRGKRZSA-N 0 0 438.958 3.823 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000036397569 569100663 /nfs/dbraw/zinc/10/06/63/569100663.db2.gz MOMSNXGSLAUOTP-UHFFFAOYSA-N 0 0 434.521 3.972 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000065077921 569100692 /nfs/dbraw/zinc/10/06/92/569100692.db2.gz WGBURQLDSPAHEG-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN CCOCCCNC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(F)c2)C1 ZINC000065081169 569101357 /nfs/dbraw/zinc/10/13/57/569101357.db2.gz XCPLOMPJXQDFPI-INIZCTEOSA-N 0 0 445.564 3.689 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000036398662 569101485 /nfs/dbraw/zinc/10/14/85/569101485.db2.gz OLJWKCAANJOORF-BBTUJRGHSA-N 0 0 441.597 3.849 50 0 IHAARN O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1c(F)cccc1Cl ZINC000169775623 569101842 /nfs/dbraw/zinc/10/18/42/569101842.db2.gz CYRWVSMJWZDOSZ-UHFFFAOYSA-N 0 0 428.826 3.525 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C(C)(C)C)cc4)ccn3n2)c1 ZINC000169777083 569102325 /nfs/dbraw/zinc/10/23/25/569102325.db2.gz MJPHJRUPRJFNRB-UHFFFAOYSA-N 0 0 444.535 3.899 50 0 IHAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(Br)cc1)CCCCC3 ZINC000169777275 569102411 /nfs/dbraw/zinc/10/24/11/569102411.db2.gz VTLXIYABCHYEDC-UHFFFAOYSA-N 0 0 429.318 3.634 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)CC2)c1 ZINC000065084961 569102633 /nfs/dbraw/zinc/10/26/33/569102633.db2.gz XJVKJSFRONYDNR-UHFFFAOYSA-N 0 0 442.562 3.552 50 0 IHAARN COc1cc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc(OC)c1OC ZINC000065085169 569102780 /nfs/dbraw/zinc/10/27/80/569102780.db2.gz MONFCAYLBFUORH-UHFFFAOYSA-N 0 0 447.534 3.537 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 ZINC000169777522 569102844 /nfs/dbraw/zinc/10/28/44/569102844.db2.gz KJXAPFWXKBQSCW-UHFFFAOYSA-N 0 0 432.406 3.702 50 0 IHAARN CC(C)c1noc(-c2cn(C3CCN(C(=O)[C@H](C)Oc4cccc(Cl)c4)CC3)nn2)n1 ZINC000169780514 569103014 /nfs/dbraw/zinc/10/30/14/569103014.db2.gz CXSJLYNENTYIOU-AWEZNQCLSA-N 0 0 444.923 3.736 50 0 IHAARN Cc1cccc(CNC(=O)[C@H](C)n2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000006901529 569105728 /nfs/dbraw/zinc/10/57/28/569105728.db2.gz XCNSQLQUGKYOOQ-SFHVURJKSA-N 0 0 425.554 3.612 50 0 IHAARN COc1cc(NC(=O)Cn2c(=O)nc(NCc3ccccc3)c3ccccc32)cc(OC)c1 ZINC000065101790 569105915 /nfs/dbraw/zinc/10/59/15/569105915.db2.gz ZFWJLJIRDKWCKB-UHFFFAOYSA-N 0 0 444.491 3.665 50 0 IHAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000065111419 569106452 /nfs/dbraw/zinc/10/64/52/569106452.db2.gz TYUVIVDNSRBHQH-UHFFFAOYSA-N 0 0 448.479 3.834 50 0 IHAARN O=C(c1noc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc21)N1CCCCC1 ZINC000065115244 569106710 /nfs/dbraw/zinc/10/67/10/569106710.db2.gz ITDJNNJQZYXBTO-UHFFFAOYSA-N 0 0 433.917 3.586 50 0 IHAARN Cc1ccc(C)c(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1 ZINC000065115361 569106791 /nfs/dbraw/zinc/10/67/91/569106791.db2.gz ZUUWCQAXHJUNBG-UHFFFAOYSA-N 0 0 427.526 3.549 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000065111946 569107767 /nfs/dbraw/zinc/10/77/67/569107767.db2.gz LCIFNYFSWBCXOZ-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(Cc3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000065112778 569108321 /nfs/dbraw/zinc/10/83/21/569108321.db2.gz YXHGBVLRKWVFIB-UHFFFAOYSA-N 0 0 444.516 3.988 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NC4CCCCCC4)o3)cc2)CC1 ZINC000065113809 569108586 /nfs/dbraw/zinc/10/85/86/569108586.db2.gz PZQAIBXWCJGHAU-UHFFFAOYSA-N 0 0 446.573 3.610 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000065114041 569108679 /nfs/dbraw/zinc/10/86/79/569108679.db2.gz UVGOHZHTGYSOEA-UHFFFAOYSA-N 0 0 446.532 3.856 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)Nc3cccc(SC)c3)c2)cc1 ZINC000065131206 569109253 /nfs/dbraw/zinc/10/92/53/569109253.db2.gz HSPQPKPVYHWBDQ-UHFFFAOYSA-N 0 0 444.582 3.877 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000065131220 569109309 /nfs/dbraw/zinc/10/93/09/569109309.db2.gz UXTBGBVAGVFQFI-UHFFFAOYSA-N 0 0 430.574 3.523 50 0 IHAARN COc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1 ZINC000065138364 569110647 /nfs/dbraw/zinc/11/06/47/569110647.db2.gz AXWJOJCXQHFFEW-HNNXBMFYSA-N 0 0 434.452 3.755 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)cc1 ZINC000065150980 569111602 /nfs/dbraw/zinc/11/16/02/569111602.db2.gz KSVAZXQFMRTGRD-UHFFFAOYSA-N 0 0 439.928 3.784 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(C)c4C)nc23)c(C)c1 ZINC000065151007 569111654 /nfs/dbraw/zinc/11/16/54/569111654.db2.gz QMNHQGRCVKVBLU-UHFFFAOYSA-N 0 0 433.537 3.915 50 0 IHAARN Cc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)NCCC(C)C)n3)CC2)c1 ZINC000065151389 569111706 /nfs/dbraw/zinc/11/17/06/569111706.db2.gz ASQXFFASGAEVJJ-UHFFFAOYSA-N 0 0 427.618 3.674 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(N3CCOCC3)nc2)n1 ZINC000065165506 569112910 /nfs/dbraw/zinc/11/29/10/569112910.db2.gz NQKYDOIUGXSIGK-UHFFFAOYSA-N 0 0 430.917 3.956 50 0 IHAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3cccc(CC)c3)ncn2)CC1 ZINC000065183132 569113703 /nfs/dbraw/zinc/11/37/03/569113703.db2.gz HIWCPCSCUGYIDF-UHFFFAOYSA-N 0 0 441.601 3.512 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(OC)c(Cl)c4)CC3=O)ccc21 ZINC000065195405 569115437 /nfs/dbraw/zinc/11/54/37/569115437.db2.gz UFPQAXQPAVLDTH-HNNXBMFYSA-N 0 0 441.915 3.639 50 0 IHAARN O=C(NCCc1ccncc1)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209876 569116579 /nfs/dbraw/zinc/11/65/79/569116579.db2.gz VSOOVGBFMWKCGR-UHFFFAOYSA-N 0 0 440.507 3.502 50 0 IHAARN CCc1nn2c(CNS(=O)(=O)c3ccc(OC)cc3)c(-c3ccccc3)nc2s1 ZINC000065217379 569117074 /nfs/dbraw/zinc/11/70/74/569117074.db2.gz VTHWIMJRAOWJPP-UHFFFAOYSA-N 0 0 428.539 3.507 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000065217397 569117121 /nfs/dbraw/zinc/11/71/21/569117121.db2.gz ZGHMLXLAPRZFKL-UHFFFAOYSA-N 0 0 434.493 3.777 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(CC)nn23)cc1 ZINC000065217406 569117178 /nfs/dbraw/zinc/11/71/78/569117178.db2.gz MOEPWORQRCVGAL-UHFFFAOYSA-N 0 0 442.566 3.897 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)Cn1ccc3ccn(Cc4cccc(F)c4)c3c1=O)CCO2 ZINC000065220477 569117210 /nfs/dbraw/zinc/11/72/10/569117210.db2.gz UINZBMDTXRKDNQ-UHFFFAOYSA-N 0 0 431.467 3.724 50 0 IHAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219018 569117390 /nfs/dbraw/zinc/11/73/90/569117390.db2.gz CBKJCWRQXGYDTB-LLVKDONJSA-N 0 0 426.429 3.954 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCn3nc(-c4cccc(Cl)c4)cc3C2)cc1 ZINC000065225394 569117831 /nfs/dbraw/zinc/11/78/31/569117831.db2.gz MGUOKNDWQMUWBE-UHFFFAOYSA-N 0 0 444.944 3.757 50 0 IHAARN Cc1oc(C2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc1C(=O)N1CCCCC1 ZINC000065232376 569119000 /nfs/dbraw/zinc/11/90/00/569119000.db2.gz NHSNOFGPWLKDRV-UHFFFAOYSA-N 0 0 449.548 3.625 50 0 IHAARN COC(=O)c1cccc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccc(C)cc3)s2)c1 ZINC000065233013 569119109 /nfs/dbraw/zinc/11/91/09/569119109.db2.gz SEVBFPJGFSEBMQ-UHFFFAOYSA-N 0 0 437.521 3.658 50 0 IHAARN CCN1c2ccc(C)cc2C(=O)NC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000065235148 569119256 /nfs/dbraw/zinc/11/92/56/569119256.db2.gz FIVWDZLBGCWSNS-UHFFFAOYSA-N 0 0 442.357 3.960 50 0 biogenic IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@@H]5C)n4)ccn3n2)cc1C ZINC000065235821 569119427 /nfs/dbraw/zinc/11/94/27/569119427.db2.gz BOPNLUWAWQTFCN-SFHVURJKSA-N 0 0 432.528 3.586 50 0 IHAARN O=C(Nc1ccc(Br)cc1)C1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000065237014 569119562 /nfs/dbraw/zinc/11/95/62/569119562.db2.gz YDCYXRJCHAIMMO-UHFFFAOYSA-N 0 0 430.350 3.694 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3ccc(C)s3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239166 569120136 /nfs/dbraw/zinc/12/01/36/569120136.db2.gz GERFJJZVZVCLKY-UHFFFAOYSA-N 0 0 447.557 3.563 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239223 569120210 /nfs/dbraw/zinc/12/02/10/569120210.db2.gz ZDGNSOXWIVZWBW-INIZCTEOSA-N 0 0 431.602 3.793 50 0 IHAARN C=C1C(N2CCC(NC(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239236 569120217 /nfs/dbraw/zinc/12/02/17/569120217.db2.gz HNAJLBDMOHNEAM-UHFFFAOYSA-N 0 0 429.586 3.547 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(C)c(C)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239304 569120391 /nfs/dbraw/zinc/12/03/91/569120391.db2.gz NGYHJJMKDPKFEH-UHFFFAOYSA-N 0 0 437.565 3.624 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3sccc3C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239387 569120517 /nfs/dbraw/zinc/12/05/17/569120517.db2.gz UMPOIQGNUJIIML-UHFFFAOYSA-N 0 0 447.557 3.517 50 0 IHAARN C=C1C(N2CCCN(C(=O)[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239512 569120608 /nfs/dbraw/zinc/12/06/08/569120608.db2.gz ZOCJWVHPYOBHLQ-QGZVFWFLSA-N 0 0 431.602 3.863 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 ZINC000065239850 569120803 /nfs/dbraw/zinc/12/08/03/569120803.db2.gz KIQFHRUFSLNFRN-UHFFFAOYSA-N 0 0 427.306 3.667 50 0 IHAARN CCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1 ZINC000036614897 569122244 /nfs/dbraw/zinc/12/22/44/569122244.db2.gz KTUPGNIMPUQFOC-UHFFFAOYSA-N 0 0 425.461 3.709 50 0 IHAARN Cc1noc(-c2ccnc(-n3ncc(C(=O)N4CC=C(c5ccccc5)CC4)c3C)c2)n1 ZINC000065251240 569122298 /nfs/dbraw/zinc/12/22/98/569122298.db2.gz FWHBNANYMMROPW-UHFFFAOYSA-N 0 0 426.480 3.864 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613313 569123691 /nfs/dbraw/zinc/12/36/91/569123691.db2.gz LCTYQBNHOUNIMO-OAHLLOKOSA-N 0 0 446.555 3.832 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c3cnn(C)c3n2)cc1 ZINC000036613409 569123811 /nfs/dbraw/zinc/12/38/11/569123811.db2.gz GSBUUKGDYUBDLV-UHFFFAOYSA-N 0 0 439.479 3.536 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259768 569124890 /nfs/dbraw/zinc/12/48/90/569124890.db2.gz WNXDCEIKOLLWCW-IBGZPJMESA-N 0 0 443.569 3.690 50 0 biogenic IHAARN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 ZINC000524731398 569126504 /nfs/dbraw/zinc/12/65/04/569126504.db2.gz VYOANKYOYLEXAS-HXUWFJFHSA-N 0 0 449.503 3.773 50 0 biogenic IHAARN O=C(C[C@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCc1ccco1 ZINC000524732092 569126743 /nfs/dbraw/zinc/12/67/43/569126743.db2.gz WULYKLKPRXBFRG-INIZCTEOSA-N 0 0 433.416 3.659 50 0 biogenic IHAARN CCN(C(=O)[C@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1)c1ccccc1 ZINC000065273799 569128220 /nfs/dbraw/zinc/12/82/20/569128220.db2.gz HOFDFXHIIUNJJW-SFHVURJKSA-N 0 0 440.613 3.606 50 0 IHAARN O=C(Cn1nnc(-c2ccco2)n1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000036635939 569128237 /nfs/dbraw/zinc/12/82/37/569128237.db2.gz MXTWGVIGVJPXLF-UHFFFAOYSA-N 0 0 434.403 3.638 50 0 IHAARN CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)ncn1 ZINC000065274240 569128476 /nfs/dbraw/zinc/12/84/76/569128476.db2.gz AWSUBRFOCGGWID-UHFFFAOYSA-N 0 0 427.549 3.951 50 0 IHAARN C=C1C(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271821 569128607 /nfs/dbraw/zinc/12/86/07/569128607.db2.gz XNQLMCJADSVTJZ-UHFFFAOYSA-N 0 0 442.516 3.585 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)o1 ZINC000065272130 569129020 /nfs/dbraw/zinc/12/90/20/569129020.db2.gz LMUQMIAMKISXNI-UHFFFAOYSA-N 0 0 434.525 3.583 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)cc2Cl)CC3)CC1 ZINC000065273244 569129378 /nfs/dbraw/zinc/12/93/78/569129378.db2.gz WSFXRBGLQMMNOC-OAHLLOKOSA-N 0 0 432.977 3.517 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)c(C)c2)CC3)CC1 ZINC000065273552 569129754 /nfs/dbraw/zinc/12/97/54/569129754.db2.gz GQUHAZJMGKQJSB-OAHLLOKOSA-N 0 0 447.004 3.907 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)cc2)CC3)CC1 ZINC000065273616 569129852 /nfs/dbraw/zinc/12/98/52/569129852.db2.gz XSCKNYLUCMYKBC-OAHLLOKOSA-N 0 0 447.004 3.845 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 ZINC000036640287 569130246 /nfs/dbraw/zinc/13/02/46/569130246.db2.gz UGUMCEASUBGHDT-OAHLLOKOSA-N 0 0 437.447 3.800 50 0 IHAARN C[C@H]1Cc2cc(-c3cc(COC(=O)CCn4cnc5ccccc5c4=O)no3)ccc2O1 ZINC000036662578 569130334 /nfs/dbraw/zinc/13/03/34/569130334.db2.gz KYEDGANVLKTMBN-HNNXBMFYSA-N 0 0 431.448 3.508 50 0 IHAARN CCCCOc1ccc(S(=O)(=O)N2CC[C@H](c3nc4ccncc4n3CC)C2)cc1 ZINC000065292956 569130866 /nfs/dbraw/zinc/13/08/66/569130866.db2.gz MJYDCFFJQCKVJJ-KRWDZBQOSA-N 0 0 428.558 3.808 50 0 IHAARN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065297507 569131719 /nfs/dbraw/zinc/13/17/19/569131719.db2.gz UJKQZYQSYNKSEM-UHFFFAOYSA-N 0 0 428.945 3.717 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cc3c4[nH]cccc-4c(=O)n3-c3ccccc3)CC2)c1 ZINC000065307542 569132339 /nfs/dbraw/zinc/13/23/39/569132339.db2.gz QIJVEPQJAKDBJI-QHCPKHFHSA-N 0 0 442.519 3.531 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccn1 ZINC000065307598 569132351 /nfs/dbraw/zinc/13/23/51/569132351.db2.gz RFBFFSCGUAETHD-FUHWJXTLSA-N 0 0 432.528 3.888 50 0 IHAARN O=C(Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1)NC1CCCC1 ZINC000065315525 569134132 /nfs/dbraw/zinc/13/41/32/569134132.db2.gz JJDYEQBLSJJPKR-QGZVFWFLSA-N 0 0 427.549 3.521 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)NCCc1ccccc1)nnc2C ZINC000036705180 569134352 /nfs/dbraw/zinc/13/43/52/569134352.db2.gz RSGSXJQKDFDGEP-UHFFFAOYSA-N 0 0 433.537 3.584 50 0 IHAARN CCc1ccccc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)ccc1C ZINC000065318817 569134588 /nfs/dbraw/zinc/13/45/88/569134588.db2.gz RTIMAIAODYCSOD-UHFFFAOYSA-N 0 0 440.525 3.644 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)c1 ZINC000065318981 569134690 /nfs/dbraw/zinc/13/46/90/569134690.db2.gz HRVQPVVCDYGEQB-UHFFFAOYSA-N 0 0 440.525 3.780 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C)c1 ZINC000065319470 569134897 /nfs/dbraw/zinc/13/48/97/569134897.db2.gz YAVYVESDLJNERB-UHFFFAOYSA-N 0 0 443.598 3.728 50 0 IHAARN CCCOc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700338 569135326 /nfs/dbraw/zinc/13/53/26/569135326.db2.gz BCLRZCYQYOQXDQ-HSZRJFAPSA-N 0 0 432.586 3.526 50 0 IHAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314117 569135514 /nfs/dbraw/zinc/13/55/14/569135514.db2.gz GPSIMHYBSIICED-XMMPIXPASA-N 0 0 444.579 3.948 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F ZINC000065562561 569139230 /nfs/dbraw/zinc/13/92/30/569139230.db2.gz QASOAMNKNIBUBX-LRDDRELGSA-N 0 0 431.842 3.987 50 0 IHAARN Cc1n[nH]cc1CCCNC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000065534781 569139376 /nfs/dbraw/zinc/13/93/76/569139376.db2.gz XWXSAJYSSBVDMC-UHFFFAOYSA-N 0 0 439.447 3.593 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1)n1cccn1 ZINC000065565651 569139422 /nfs/dbraw/zinc/13/94/22/569139422.db2.gz ZHZFTHXALJFIGR-AVRDEDQJSA-N 0 0 448.527 3.691 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)Nc2nncs2)C1 ZINC000065541086 569139503 /nfs/dbraw/zinc/13/95/03/569139503.db2.gz AVESBMGNTNCJLZ-MNOVXSKESA-N 0 0 428.345 3.523 50 0 IHAARN CCCS(=O)(=O)Nc1cccc(C(=O)NCc2c3ccccc3oc2C(=O)OCC)c1 ZINC000065592618 569140076 /nfs/dbraw/zinc/14/00/76/569140076.db2.gz DCBQWXLTQRCATO-UHFFFAOYSA-N 0 0 444.509 3.691 50 0 IHAARN COC(=O)c1cc(C)nc2nc(SCc3cc(Cl)c4c(c3)OCCCO4)[nH]c(=O)c12 ZINC000065620999 569140301 /nfs/dbraw/zinc/14/03/01/569140301.db2.gz PULIQAZVFSDEMA-UHFFFAOYSA-N 0 0 447.900 3.520 50 0 IHAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000065623220 569140428 /nfs/dbraw/zinc/14/04/28/569140428.db2.gz FFRVDFYZJYEERU-RTBURBONSA-N 0 0 448.571 3.944 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2C)CC1 ZINC000240104293 569140709 /nfs/dbraw/zinc/14/07/09/569140709.db2.gz UOSZPFYVMGMYOR-UHFFFAOYSA-N 0 0 440.931 3.626 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000170595327 569141547 /nfs/dbraw/zinc/14/15/47/569141547.db2.gz CHJXAZSUQAPUHA-MOPGFXCFSA-N 0 0 449.979 3.909 50 0 IHAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1csc(=O)[nH]1 ZINC000170597775 569142239 /nfs/dbraw/zinc/14/22/39/569142239.db2.gz MZXZFVVAUAVQCQ-UHFFFAOYSA-N 0 0 427.482 3.738 50 0 IHAARN CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](c2ccccc2OCc2ccccc2)C1=O ZINC000170598291 569142295 /nfs/dbraw/zinc/14/22/95/569142295.db2.gz MAKCGAZCKABRPI-QFIPXVFZSA-N 0 0 449.532 3.579 50 0 IHAARN Cc1ccc(OCC(=O)NCc2ccc3c(c2)CN(C(=O)COc2ccc(C)cc2)C3)cc1 ZINC000170600610 569142940 /nfs/dbraw/zinc/14/29/40/569142940.db2.gz PTGWPZSXBKANDT-UHFFFAOYSA-N 0 0 444.531 3.920 50 0 IHAARN CCOC(=O)[C@H]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)c2ccccc21 ZINC000170602926 569143442 /nfs/dbraw/zinc/14/34/42/569143442.db2.gz WFOHHARRCJNGGJ-SFHVURJKSA-N 0 0 438.505 3.579 50 0 IHAARN COc1cc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cnc1Br ZINC000170606857 569144112 /nfs/dbraw/zinc/14/41/12/569144112.db2.gz GNNLQKKLFQNMCT-UHFFFAOYSA-N 0 0 430.258 3.628 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(NC(=O)OC(C)(C)C)cc2Cl)NC(=O)N[C@H]1C ZINC000170611069 569145126 /nfs/dbraw/zinc/14/51/26/569145126.db2.gz NYDBNSMOZOAVOM-NSHDSACASA-N 0 0 439.896 3.584 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccccc2Cl)c1=O ZINC000037279639 569145643 /nfs/dbraw/zinc/14/56/43/569145643.db2.gz IMKIWDIBFITTBC-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2F)c1=O ZINC000037279810 569145645 /nfs/dbraw/zinc/14/56/45/569145645.db2.gz KBIHZPBGSJPBNK-UHFFFAOYSA-N 0 0 444.869 3.985 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1 ZINC000037288596 569146140 /nfs/dbraw/zinc/14/61/40/569146140.db2.gz RTZQJOXPHCRHEU-UHFFFAOYSA-N 0 0 428.536 3.719 50 0 IHAARN CCOc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)c1 ZINC000170619456 569147621 /nfs/dbraw/zinc/14/76/21/569147621.db2.gz QBSISUPIMBPJRN-OAQYLSRUSA-N 0 0 429.542 3.791 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc2cc(Br)cnc2[nH]1 ZINC000170629755 569148881 /nfs/dbraw/zinc/14/88/81/569148881.db2.gz AWKQRTDEYKLINP-RYUDHWBXSA-N 0 0 437.338 3.609 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000009869314 569149347 /nfs/dbraw/zinc/14/93/47/569149347.db2.gz VMGBTKFTQAIGNC-UHFFFAOYSA-N 0 0 425.514 3.904 50 0 IHAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCC1 ZINC000009881992 569149596 /nfs/dbraw/zinc/14/95/96/569149596.db2.gz ALIOEBDGYVFGEY-UHFFFAOYSA-N 0 0 431.581 3.933 50 0 IHAARN O=c1c(Cl)c(NC[C@H](c2ccco2)N2CCCCC2)cnn1-c1nc2ccccc2[nH]1 ZINC000009884182 569150338 /nfs/dbraw/zinc/15/03/38/569150338.db2.gz CZDSOLWWTXWHIA-GOSISDBHSA-N 0 0 438.919 3.994 50 0 IHAARN COc1ccc([C@H](NC(=O)CSc2nnnn2-c2cccc(F)c2)c2ccccc2)cc1 ZINC000009909025 569150704 /nfs/dbraw/zinc/15/07/04/569150704.db2.gz FERXJFRGFBFPOC-JOCHJYFZSA-N 0 0 449.511 3.808 50 0 IHAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)cc1 ZINC000071283214 569150707 /nfs/dbraw/zinc/15/07/07/569150707.db2.gz HOUBMOHRPPWXMW-UHFFFAOYSA-N 0 0 449.561 3.713 50 0 IHAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000071282888 569151040 /nfs/dbraw/zinc/15/10/40/569151040.db2.gz ALAIFKWWUDXKJZ-INIZCTEOSA-N 0 0 437.452 3.925 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000009996111 569151358 /nfs/dbraw/zinc/15/13/58/569151358.db2.gz DGERVDDNYGFCCK-SFHVURJKSA-N 0 0 429.567 3.637 50 0 IHAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000010025276 569151510 /nfs/dbraw/zinc/15/15/10/569151510.db2.gz AECXIYVMYPQEML-VQIMIIECSA-N 0 0 433.599 3.697 50 0 IHAARN CC(C)NC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000010218849 569153592 /nfs/dbraw/zinc/15/35/92/569153592.db2.gz ORYRZZMEBBGZNJ-UHFFFAOYSA-N 0 0 448.614 3.778 50 0 IHAARN O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)c(F)c1 ZINC000010219589 569153711 /nfs/dbraw/zinc/15/37/11/569153711.db2.gz JMHSUVIUMFDHJX-UHFFFAOYSA-N 0 0 433.418 3.581 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nnc(C)s2)cc1=O ZINC000010254766 569154212 /nfs/dbraw/zinc/15/42/12/569154212.db2.gz LGPJIWNLPOKCMG-UHFFFAOYSA-N 0 0 436.946 3.601 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1OC ZINC000013696289 569156572 /nfs/dbraw/zinc/15/65/72/569156572.db2.gz WCAIUSXGMCJUDI-UHFFFAOYSA-N 0 0 430.526 3.584 50 0 IHAARN CCOc1ccc(NC(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 ZINC000013706075 569156823 /nfs/dbraw/zinc/15/68/23/569156823.db2.gz PCQVYEBOWXHTFV-UHFFFAOYSA-N 0 0 436.447 3.530 50 0 IHAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)cn2)cc1 ZINC000013809100 569157145 /nfs/dbraw/zinc/15/71/45/569157145.db2.gz JCWYTEAZKZXEBI-UHFFFAOYSA-N 0 0 431.536 3.790 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1 ZINC000014121172 569157838 /nfs/dbraw/zinc/15/78/38/569157838.db2.gz GBSOAAKTYSWRKQ-UHFFFAOYSA-N 0 0 437.468 3.819 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1Sc1ccc2nnc(C(F)(F)F)n2n1 ZINC000014283472 569158451 /nfs/dbraw/zinc/15/84/51/569158451.db2.gz PDWDIEGIJHIZSK-UHFFFAOYSA-N 0 0 441.826 3.655 50 0 IHAARN O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014471004 569159064 /nfs/dbraw/zinc/15/90/64/569159064.db2.gz BATWCZSCDVWOIW-UHFFFAOYSA-N 0 0 439.489 3.575 50 0 IHAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2cc1C ZINC000089608948 569159741 /nfs/dbraw/zinc/15/97/41/569159741.db2.gz UZQAFHFJQCGEDK-UHFFFAOYSA-N 0 0 446.956 3.570 50 0 IHAARN Cc1cccc(OCCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000016709117 569159909 /nfs/dbraw/zinc/15/99/09/569159909.db2.gz GDSONMOXDJZLNV-UHFFFAOYSA-N 0 0 430.570 3.677 50 0 IHAARN Cc1ccc(N(C(=O)CCN(C)Cc2ccc(F)cc2F)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000089643212 569160419 /nfs/dbraw/zinc/16/04/19/569160419.db2.gz CCSYAEXELYXIMN-OAQYLSRUSA-N 0 0 448.535 3.747 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000016819002 569162391 /nfs/dbraw/zinc/16/23/91/569162391.db2.gz SBYRFCJYBNDKJZ-NRFANRHFSA-N 0 0 434.464 3.577 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000089781038 569162991 /nfs/dbraw/zinc/16/29/91/569162991.db2.gz PHTGNKBIXLQHLA-VXKWHMMOSA-N 0 0 429.561 3.895 50 0 IHAARN COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)c1 ZINC000016841974 569163333 /nfs/dbraw/zinc/16/33/33/569163333.db2.gz JAFFEZFFUUKUNJ-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1 ZINC000016844855 569163819 /nfs/dbraw/zinc/16/38/19/569163819.db2.gz YMCDZDJJQPKPAV-UHFFFAOYSA-N 0 0 439.269 3.780 50 0 IHAARN Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000016846334 569163966 /nfs/dbraw/zinc/16/39/66/569163966.db2.gz TTWXRFXEAMVENB-UHFFFAOYSA-N 0 0 441.578 3.820 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)CC1 ZINC000016848792 569164378 /nfs/dbraw/zinc/16/43/78/569164378.db2.gz LEBTYVMPFXKQPW-UHFFFAOYSA-N 0 0 441.553 3.806 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)CC1 ZINC000016848944 569164385 /nfs/dbraw/zinc/16/43/85/569164385.db2.gz ZCIISUCBDAEQMA-UHFFFAOYSA-N 0 0 430.530 3.521 50 0 IHAARN CCOC(=O)N1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000016850121 569164598 /nfs/dbraw/zinc/16/45/98/569164598.db2.gz WRFZJNGNKKLVKC-UHFFFAOYSA-N 0 0 442.463 3.749 50 0 IHAARN COc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 ZINC000016850254 569164690 /nfs/dbraw/zinc/16/46/90/569164690.db2.gz DKFXFOPINTXGRZ-UHFFFAOYSA-N 0 0 427.482 3.856 50 0 IHAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccnc(Cl)c1I ZINC000089884762 569166585 /nfs/dbraw/zinc/16/65/85/569166585.db2.gz SFMKBTAIFLQJIM-UHFFFAOYSA-N 0 0 433.658 3.567 50 0 IHAARN COc1cccc(C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016960248 569168042 /nfs/dbraw/zinc/16/80/42/569168042.db2.gz NDVRADWQEDQADR-XMMPIXPASA-N 0 0 434.515 3.523 50 0 IHAARN COc1ccc(C(=O)NCC2N=NC(=S)N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000016959650 569168125 /nfs/dbraw/zinc/16/81/25/569168125.db2.gz IYOYTVZNGVHBJQ-UHFFFAOYSA-N 0 0 439.324 3.810 50 0 IHAARN CCOC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000089984860 569169981 /nfs/dbraw/zinc/16/99/81/569169981.db2.gz YHLXFCAFGXCTOX-UHFFFAOYSA-N 0 0 439.489 3.908 50 0 IHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012729 569170702 /nfs/dbraw/zinc/17/07/02/569170702.db2.gz FUEIFWGTXKPNJN-UHFFFAOYSA-N 0 0 443.960 3.693 50 0 IHAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000017013196 569170856 /nfs/dbraw/zinc/17/08/56/569170856.db2.gz CDLRDVQOFVZULV-UHFFFAOYSA-N 0 0 425.439 3.896 50 0 IHAARN CC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(C)=O)cc1 ZINC000017130793 569174386 /nfs/dbraw/zinc/17/43/86/569174386.db2.gz YMGRUEJTCHJWKF-ATJXCDBQSA-N 0 0 427.254 3.907 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000017200462 569175805 /nfs/dbraw/zinc/17/58/05/569175805.db2.gz VRFNDYJBKZRCBU-UHFFFAOYSA-N 0 0 445.500 3.576 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000017191382 569175845 /nfs/dbraw/zinc/17/58/45/569175845.db2.gz FNKQEONVVNDUQP-UHFFFAOYSA-N 0 0 428.535 3.629 50 0 IHAARN CN1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)c2cc(F)ccc21 ZINC000170636557 569178104 /nfs/dbraw/zinc/17/81/04/569178104.db2.gz LKPNIMDNLURHQG-UHFFFAOYSA-N 0 0 434.309 3.581 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2sc(C)c(C)c2c1=O ZINC000002376559 569180797 /nfs/dbraw/zinc/18/07/97/569180797.db2.gz TYFXZEKAPYUSAW-UHFFFAOYSA-N 0 0 433.555 3.843 50 0 IHAARN CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OCC)c(OC)c2)C1=O ZINC000002119946 569182760 /nfs/dbraw/zinc/18/27/60/569182760.db2.gz SOZPWJVLFFYVJS-CPJSRVTESA-N 0 0 447.535 3.670 50 0 biogenic IHAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000252477024 569185924 /nfs/dbraw/zinc/18/59/24/569185924.db2.gz GYZMUVHJVFUWGD-MXVIHJGJSA-N 0 0 430.545 3.918 50 0 IHAARN CCOc1ccccc1C=c1sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000252477995 569185934 /nfs/dbraw/zinc/18/59/34/569185934.db2.gz ZIBHGHYRCSPPGB-UHFFFAOYSA-N 0 0 428.311 3.527 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000252496742 569187937 /nfs/dbraw/zinc/18/79/37/569187937.db2.gz PQSIOUSTVMLDKC-WZONZLPQSA-N 0 0 448.567 3.931 50 0 IHAARN COc1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1OCc1ccccc1 ZINC000252507457 569188305 /nfs/dbraw/zinc/18/83/05/569188305.db2.gz WMFWCRYMTAXSPV-KIFXHHALSA-N 0 0 425.525 3.660 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cccnc3)C[C@H]2C)c(Br)c1 ZINC000252532981 569189767 /nfs/dbraw/zinc/18/97/67/569189767.db2.gz FPTPDBYTAUCIOX-IAGOWNOFSA-N 0 0 432.362 3.653 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000252537093 569190005 /nfs/dbraw/zinc/19/00/05/569190005.db2.gz KGXZKIDEAIBAEP-LJQANCHMSA-N 0 0 438.915 3.516 50 0 IHAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc5c(c4)OCC(=O)N5C)CC3=O)n2)cc1 ZINC000252538045 569190162 /nfs/dbraw/zinc/19/01/62/569190162.db2.gz MOMCYVMIWAESMD-UHFFFAOYSA-N 0 0 448.504 3.940 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192045 569190525 /nfs/dbraw/zinc/19/05/25/569190525.db2.gz ZUAIOGAODNMFMT-AWEZNQCLSA-N 0 0 442.724 3.721 50 0 IHAARN COCCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)n1 ZINC000037385385 569192359 /nfs/dbraw/zinc/19/23/59/569192359.db2.gz QIWQACBMQQZOTF-UHFFFAOYSA-N 0 0 448.435 3.534 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(C)=O)c2)cc1 ZINC000037399812 569194729 /nfs/dbraw/zinc/19/47/29/569194729.db2.gz UHIMSJLAXDZAHW-UHFFFAOYSA-N 0 0 442.493 3.554 50 0 IHAARN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000037427859 569195902 /nfs/dbraw/zinc/19/59/02/569195902.db2.gz NIUPMPADWHJMER-APDWNYDDSA-N 0 0 437.565 3.917 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)C[C@H]1CSCN12 ZINC000037447581 569197115 /nfs/dbraw/zinc/19/71/15/569197115.db2.gz RNPJOVSWLODOSK-ZJBJCVSYSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CC[C@@H](C)NC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037511286 569197942 /nfs/dbraw/zinc/19/79/42/569197942.db2.gz UVIOEDNJBFOULU-CABCVRRESA-N 0 0 444.915 3.630 50 0 IHAARN CC[C@H](C)NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3F)cc21 ZINC000037512465 569198025 /nfs/dbraw/zinc/19/80/25/569198025.db2.gz SKSLZFPFRCPJNS-INIZCTEOSA-N 0 0 442.487 3.508 50 0 IHAARN O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000037524012 569198410 /nfs/dbraw/zinc/19/84/10/569198410.db2.gz BYFJPKNGJGMIEF-UHFFFAOYSA-N 0 0 439.462 3.887 50 0 IHAARN O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037524404 569198548 /nfs/dbraw/zinc/19/85/48/569198548.db2.gz JTJLZVASERPWOG-UHFFFAOYSA-N 0 0 427.548 3.944 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)NCC2CC2)CC1 ZINC000037525072 569199010 /nfs/dbraw/zinc/19/90/10/569199010.db2.gz GICHCYNOLFFXLE-UHFFFAOYSA-N 0 0 441.959 3.644 50 0 IHAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000037526317 569199052 /nfs/dbraw/zinc/19/90/52/569199052.db2.gz GAWTUVIYULAEQC-SFHVURJKSA-N 0 0 443.613 3.718 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)cc1 ZINC000037554797 569200495 /nfs/dbraw/zinc/20/04/95/569200495.db2.gz DDHCNDFCQQJICO-UHFFFAOYSA-N 0 0 438.491 3.808 50 0 IHAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)C3CCCC3)cc2)CC1 ZINC000037557785 569200765 /nfs/dbraw/zinc/20/07/65/569200765.db2.gz GUYUTXUILDOWOF-UHFFFAOYSA-N 0 0 447.579 3.643 50 0 IHAARN COc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccccc1C ZINC000037558921 569200773 /nfs/dbraw/zinc/20/07/73/569200773.db2.gz POWAIQHQEWNGHL-UHFFFAOYSA-N 0 0 432.524 3.760 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NCc3ccco3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037602237 569202384 /nfs/dbraw/zinc/20/23/84/569202384.db2.gz VJJDDDWNJJEFSB-VWLOTQADSA-N 0 0 436.483 3.998 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)c3ccccc3F)c2)NC(=O)N1C ZINC000037679382 569204477 /nfs/dbraw/zinc/20/44/77/569204477.db2.gz BHGSOPNZDJXTOR-HXUWFJFHSA-N 0 0 425.460 4.000 50 0 IHAARN CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@H]3C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000252695336 569211120 /nfs/dbraw/zinc/21/11/20/569211120.db2.gz YKXHUDXDHCUGIF-QDTFEQMNSA-N 0 0 428.481 3.582 50 0 biogenic IHAARN Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000002686952 569211322 /nfs/dbraw/zinc/21/13/22/569211322.db2.gz LQZJSPBSJWAJOI-OAQYLSRUSA-N 0 0 446.482 3.929 50 0 IHAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCCC3 ZINC000002272348 569217741 /nfs/dbraw/zinc/21/77/41/569217741.db2.gz XSQOWAOBDIWZAY-UHFFFAOYSA-N 0 0 440.550 3.547 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000004761877 569256632 /nfs/dbraw/zinc/25/66/32/569256632.db2.gz XBCAGYLUHKWBLO-BBTUJRGHSA-N 0 0 426.513 3.576 50 0 IHAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC ZINC000015957237 569256844 /nfs/dbraw/zinc/25/68/44/569256844.db2.gz YTVLZQAMDFWOIX-DCEDVJGZSA-N 0 0 430.589 3.821 50 0 biogenic IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000020391423 569257427 /nfs/dbraw/zinc/25/74/27/569257427.db2.gz BVNRRQKOVUQHSQ-DCEDVJGZSA-N 0 0 438.524 3.731 50 0 biogenic IHAARN C[C@]1(F)[C@H](O)O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1 ZINC000095644294 569258577 /nfs/dbraw/zinc/25/85/77/569258577.db2.gz VMHGRJLDOZXGNA-XNFNUYLZSA-N 0 0 443.254 3.821 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000101134481 569258707 /nfs/dbraw/zinc/25/87/07/569258707.db2.gz UROYZANJRMCQNS-BBTUJRGHSA-N 0 0 426.513 3.576 50 0 IHAARN CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000253370292 569264165 /nfs/dbraw/zinc/26/41/65/569264165.db2.gz OUBHMPWIIJGZJR-ZIAGYGMSSA-N 0 0 428.929 3.559 50 0 IHAARN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000253401769 569264947 /nfs/dbraw/zinc/26/49/47/569264947.db2.gz NMMLMTIDIYEPJB-FQEVSTJZSA-N 0 0 441.487 3.688 50 0 IHAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000253406793 569265363 /nfs/dbraw/zinc/26/53/63/569265363.db2.gz UYGWXPKTJLAJSY-GOSISDBHSA-N 0 0 440.468 3.819 50 0 IHAARN COc1cc(-c2nc3ccccc3c(=O)n2NCc2ccc(F)cc2)cc(OC)c1OC ZINC000027531353 569265959 /nfs/dbraw/zinc/26/59/59/569265959.db2.gz JQXGHCUZKKZRNY-UHFFFAOYSA-N 0 0 435.455 3.972 50 0 IHAARN COC(=O)C[C@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253414199 569266137 /nfs/dbraw/zinc/26/61/37/569266137.db2.gz WSYUNBMSCHJZJV-HXUWFJFHSA-N 0 0 431.492 3.676 50 0 biogenic IHAARN COC[C@@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002327759 569274435 /nfs/dbraw/zinc/27/44/35/569274435.db2.gz GGDNCIIYNDUYID-OAHLLOKOSA-N 0 0 434.496 3.610 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3cccs3)cc2)co1 ZINC000253473713 569282921 /nfs/dbraw/zinc/28/29/21/569282921.db2.gz XLUIFJZIAUBXIY-FQEVSTJZSA-N 0 0 430.507 3.519 50 0 IHAARN O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)N[C@H]1CCCc2ccccc21 ZINC000253531061 569283845 /nfs/dbraw/zinc/28/38/45/569283845.db2.gz ZNZZYOKLXXWFPI-KNQAVFIVSA-N 0 0 446.551 3.510 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002355625 569285861 /nfs/dbraw/zinc/28/58/61/569285861.db2.gz VPAWLTJPTXDTBZ-IEBWSBKVSA-N 0 0 435.973 3.940 50 0 IHAARN Cc1cnccc1CN(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000055153353 569293172 /nfs/dbraw/zinc/29/31/72/569293172.db2.gz ITEFAGRPILKOMZ-UHFFFAOYSA-N 0 0 426.586 3.643 50 0 IHAARN CC(=O)c1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 ZINC000002404444 569299977 /nfs/dbraw/zinc/29/99/77/569299977.db2.gz CUOMBNNDIFIFGV-UHFFFAOYSA-N 0 0 437.550 3.978 50 0 IHAARN O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002407055 569300220 /nfs/dbraw/zinc/30/02/20/569300220.db2.gz YPYGXEZQTLACRU-SJORKVTESA-N 0 0 425.851 3.870 50 0 IHAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c32)CO1 ZINC000002406714 569300230 /nfs/dbraw/zinc/30/02/30/569300230.db2.gz DXZYZWJFTNHRSN-NRFANRHFSA-N 0 0 428.583 3.923 50 0 IHAARN Cc1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1Oc1ccccc1Br ZINC000002408875 569300480 /nfs/dbraw/zinc/30/04/80/569300480.db2.gz CYWMCBQAKGRMBJ-UHFFFAOYSA-N 0 0 425.256 3.995 50 0 IHAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002417661 569301582 /nfs/dbraw/zinc/30/15/82/569301582.db2.gz XRPVYFZMIKMOCA-CQSZACIVSA-N 0 0 442.928 3.832 50 0 IHAARN Cc1cccnc1CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000055270886 569301850 /nfs/dbraw/zinc/30/18/50/569301850.db2.gz CGHLWFVZYRIBBO-UHFFFAOYSA-N 0 0 426.586 3.697 50 0 IHAARN Nc1nc(N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)nc2ccccc12 ZINC000301898974 569301974 /nfs/dbraw/zinc/30/19/74/569301974.db2.gz XMWZMCVKCMAQEF-UHFFFAOYSA-N 0 0 439.519 3.753 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000002429028 569302848 /nfs/dbraw/zinc/30/28/48/569302848.db2.gz GNLHLFDVWOHLNE-DOMZBBRYSA-N 0 0 427.498 3.795 50 0 IHAARN O=C(OCc1nc(-c2ccsc2)no1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012979887 569305792 /nfs/dbraw/zinc/30/57/92/569305792.db2.gz GVJXSRNOEBQIOB-UHFFFAOYSA-N 0 0 447.538 3.720 50 0 IHAARN O=C(COc1ccc(C2SCCCS2)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000013017412 569307161 /nfs/dbraw/zinc/30/71/61/569307161.db2.gz JQCBOZGEWHAQTI-UHFFFAOYSA-N 0 0 443.546 3.774 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013114563 569310726 /nfs/dbraw/zinc/31/07/26/569310726.db2.gz ZOQKMPXYVWSIEW-UHFFFAOYSA-N 0 0 428.510 3.765 50 0 IHAARN O=C([C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013126792 569311240 /nfs/dbraw/zinc/31/12/40/569311240.db2.gz HZJDICDQPPSWBV-HXUWFJFHSA-N 0 0 431.521 3.508 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NCc1ccc2c(c1)OCO2 ZINC000013138175 569311657 /nfs/dbraw/zinc/31/16/57/569311657.db2.gz IZMZZVWQUJRCRT-UHFFFAOYSA-N 0 0 426.473 3.556 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000013351954 569313351 /nfs/dbraw/zinc/31/33/51/569313351.db2.gz MCKRVWSKBORAFH-UHFFFAOYSA-N 0 0 435.568 3.882 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3C)cc2C[C@H]1C ZINC000013365854 569314245 /nfs/dbraw/zinc/31/42/45/569314245.db2.gz NDMMHVYNPVGEIR-QGZVFWFLSA-N 0 0 428.554 3.794 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000078660886 569316736 /nfs/dbraw/zinc/31/67/36/569316736.db2.gz LWTGXGCDSLCNEG-ZBFHGGJFSA-N 0 0 440.569 3.857 50 0 IHAARN CC(C)(C)[C@@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O ZINC000328593112 569317344 /nfs/dbraw/zinc/31/73/44/569317344.db2.gz BJVCPPJUVVUHBJ-CXAGYDPISA-N 0 0 430.555 3.658 50 0 IHAARN Cc1cc(CSc2ncccc2C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)no1 ZINC000078725967 569318578 /nfs/dbraw/zinc/31/85/78/569318578.db2.gz DBNJEDGEVNISIO-UHFFFAOYSA-N 0 0 448.552 3.899 50 0 IHAARN COc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c2ccccc12 ZINC000019352677 569318730 /nfs/dbraw/zinc/31/87/30/569318730.db2.gz KENZVHYCFUFDSU-UHFFFAOYSA-N 0 0 434.492 3.719 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000019355700 569318859 /nfs/dbraw/zinc/31/88/59/569318859.db2.gz MBNXXJXELMXWQN-UHFFFAOYSA-N 0 0 439.468 3.509 50 0 IHAARN COC(=O)c1cc(F)cc(I)c1NC(=O)c1ccnc(Cl)c1 ZINC000078869299 569319431 /nfs/dbraw/zinc/31/94/31/569319431.db2.gz MOLFCPSDYJLFCX-UHFFFAOYSA-N 0 0 434.592 3.518 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1[S@@](C)=O ZINC000078899484 569320118 /nfs/dbraw/zinc/32/01/18/569320118.db2.gz PPRYZZXXSPCNCJ-OLRZCDJHSA-N 0 0 434.583 3.548 50 0 IHAARN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000078988817 569321458 /nfs/dbraw/zinc/32/14/58/569321458.db2.gz HRMFKHOGRJSIJK-UONOGXRCSA-N 0 0 429.991 3.775 50 0 IHAARN C[C@H](Cc1nc2ccccc2s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000079023344 569322627 /nfs/dbraw/zinc/32/26/27/569322627.db2.gz HHRAQVJXNGUSAM-MRXNPFEDSA-N 0 0 433.574 3.763 50 0 IHAARN CC(C)Oc1ccc(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000079052678 569323510 /nfs/dbraw/zinc/32/35/10/569323510.db2.gz BYNXCRPPHCVXIW-UHFFFAOYSA-N 0 0 438.544 3.677 50 0 IHAARN COc1ccc([C@H](CNS(=O)(=O)CC[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000079095540 569325224 /nfs/dbraw/zinc/32/52/24/569325224.db2.gz TZWZGMIKTFWGJW-FPOVZHCZSA-N 0 0 428.554 3.797 50 0 IHAARN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000079096276 569325333 /nfs/dbraw/zinc/32/53/33/569325333.db2.gz IDWHBQNFPRCORF-LLVKDONJSA-N 0 0 448.393 3.924 50 0 IHAARN CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(OC)cc1OC ZINC000079112463 569326352 /nfs/dbraw/zinc/32/63/52/569326352.db2.gz WUTAGKJWEZSZRZ-HXUWFJFHSA-N 0 0 445.541 3.553 50 0 IHAARN Cc1c2ccc(OCC(=O)NCCc3ccccn3)cc2oc(=O)c1Cc1ccccc1 ZINC000079193161 569328190 /nfs/dbraw/zinc/32/81/90/569328190.db2.gz DDNUEMSADIVBJX-UHFFFAOYSA-N 0 0 428.488 3.825 50 0 biogenic IHAARN COc1cc2c3cnn(Cc4c(F)c(F)c(F)c(F)c4F)c(=O)c3n(C)c2cc1OC ZINC000079495397 569331403 /nfs/dbraw/zinc/33/14/03/569331403.db2.gz JGSFYHGZWPDAHE-UHFFFAOYSA-N 0 0 439.340 3.649 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)C[C@H](C)O1 ZINC000020069369 569333209 /nfs/dbraw/zinc/33/32/09/569333209.db2.gz LFLQULBWNBFXMO-ROUUACIJSA-N 0 0 436.581 3.694 50 0 IHAARN COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cccnc2)cc1Cl ZINC000020107877 569334405 /nfs/dbraw/zinc/33/44/05/569334405.db2.gz MNDZVKORVPWOOY-UHFFFAOYSA-N 0 0 434.993 3.665 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020116366 569335147 /nfs/dbraw/zinc/33/51/47/569335147.db2.gz GLAPNJOKCGZYIH-IBGZPJMESA-N 0 0 448.997 3.650 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccccc2OC(F)F)c(C)c1 ZINC000020133407 569335575 /nfs/dbraw/zinc/33/55/75/569335575.db2.gz LDFPPTGEURLKTD-SFHVURJKSA-N 0 0 426.427 3.819 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020154276 569353549 /nfs/dbraw/zinc/35/35/49/569353549.db2.gz GSBCLAOYWZBFQU-ZDUSSCGKSA-N 0 0 438.518 3.806 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C ZINC000390828532 569354054 /nfs/dbraw/zinc/35/40/54/569354054.db2.gz RSDGERGQCCHZNQ-SNVBAGLBSA-N 0 0 430.313 3.530 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC000020326444 569360535 /nfs/dbraw/zinc/36/05/35/569360535.db2.gz HJYJLFAPUNJHNQ-IBGZPJMESA-N 0 0 433.555 3.555 50 0 IHAARN COc1cc(C2=NO[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000020328203 569360621 /nfs/dbraw/zinc/36/06/21/569360621.db2.gz JBJWRDIVOSIUEL-QGZVFWFLSA-N 0 0 440.374 3.743 50 0 IHAARN CN(c1ccc(NC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1F)C1CCCCC1 ZINC000095351918 569362171 /nfs/dbraw/zinc/36/21/71/569362171.db2.gz SZSXBJCXMUWKQC-UHFFFAOYSA-N 0 0 439.535 3.980 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccc4Cl)nc(CC)n23)s1 ZINC000020384326 569362893 /nfs/dbraw/zinc/36/28/93/569362893.db2.gz NQRMAUBOFISKMM-UHFFFAOYSA-N 0 0 428.945 3.805 50 0 IHAARN CCCN(C(=O)c1cc(OC)c(C)c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000095397111 569363724 /nfs/dbraw/zinc/36/37/24/569363724.db2.gz HICBODZHDBKXLF-UHFFFAOYSA-N 0 0 426.561 3.940 50 0 IHAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 ZINC000095456142 569368848 /nfs/dbraw/zinc/36/88/48/569368848.db2.gz DRAXEXAZCMKWTK-FQEVSTJZSA-N 0 0 431.920 3.721 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@](C)=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000095462649 569370209 /nfs/dbraw/zinc/37/02/09/569370209.db2.gz SSAMRVVGGPHPRE-MEYXWREJSA-N 0 0 449.576 3.975 50 0 IHAARN CCc1ccc(C(=O)N2CCN(C(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1 ZINC000095462897 569370310 /nfs/dbraw/zinc/37/03/10/569370310.db2.gz LDUJMGOPRYGGCM-UHFFFAOYSA-N 0 0 428.554 3.586 50 0 IHAARN CN(C)C(=O)CC1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC000095469118 569371401 /nfs/dbraw/zinc/37/14/01/569371401.db2.gz AUIGCIRWZOOZFV-UHFFFAOYSA-N 0 0 446.345 3.967 50 0 IHAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095474171 569372639 /nfs/dbraw/zinc/37/26/39/569372639.db2.gz LAQJHZFMEWGRAJ-HNNXBMFYSA-N 0 0 437.853 3.968 50 0 IHAARN Cc1cccc2c1ccn2CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095480027 569373793 /nfs/dbraw/zinc/37/37/93/569373793.db2.gz AZKAOJJDGNEMIL-UHFFFAOYSA-N 0 0 445.972 3.963 50 0 IHAARN COc1ccccc1OCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000095482214 569374301 /nfs/dbraw/zinc/37/43/01/569374301.db2.gz PABOAMDKFPZZEP-UHFFFAOYSA-N 0 0 432.274 3.545 50 0 IHAARN CSCC[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1nnc2ccccn21 ZINC000095941209 569375401 /nfs/dbraw/zinc/37/54/01/569375401.db2.gz JRFNSYHDYHZPEB-QGZVFWFLSA-N 0 0 435.956 3.564 50 0 IHAARN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000095940338 569375434 /nfs/dbraw/zinc/37/54/34/569375434.db2.gz KJVGLUHJARIZGS-KRWDZBQOSA-N 0 0 427.339 3.590 50 0 IHAARN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000095966832 569377367 /nfs/dbraw/zinc/37/73/67/569377367.db2.gz LIXSFMOBQQUKGZ-UHFFFAOYSA-N 0 0 432.832 3.749 50 0 IHAARN C[C@H](OC(=O)c1cc(Br)cnc1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095976341 569377669 /nfs/dbraw/zinc/37/76/69/569377669.db2.gz QPJQKPJMIROYBO-JTQLQIEISA-N 0 0 447.314 3.734 50 0 IHAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1F ZINC000095977424 569377762 /nfs/dbraw/zinc/37/77/62/569377762.db2.gz XMUHORJHOXGAEN-UHFFFAOYSA-N 0 0 428.551 3.903 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1Cl ZINC000095995735 569378704 /nfs/dbraw/zinc/37/87/04/569378704.db2.gz YNMRASJMSYGOAS-UHFFFAOYSA-N 0 0 435.354 3.543 50 0 IHAARN O=C(C[C@H]1COCCN1S(=O)(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000095996953 569378937 /nfs/dbraw/zinc/37/89/37/569378937.db2.gz XVNYFSFWLLCNRC-LBPRGKRZSA-N 0 0 434.366 3.859 50 0 IHAARN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2ccncc2)CC2CCCC2)c1 ZINC000096011993 569380084 /nfs/dbraw/zinc/38/00/84/569380084.db2.gz RTVNQTLMJWLQIK-KRWDZBQOSA-N 0 0 435.977 3.565 50 0 IHAARN COc1cc(/C=C/C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc(OC)c1OC ZINC000096024793 569380632 /nfs/dbraw/zinc/38/06/32/569380632.db2.gz HVHVHIIBQPHRHA-VOTSOKGWSA-N 0 0 432.904 3.844 50 0 IHAARN O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000096099599 569381606 /nfs/dbraw/zinc/38/16/06/569381606.db2.gz GKFKNHHXEOGATC-DETIRCLXSA-N 0 0 445.606 3.723 50 0 IHAARN COc1cc(OC)c(CCC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1 ZINC000096104483 569382247 /nfs/dbraw/zinc/38/22/47/569382247.db2.gz STDDGSOFJTYRJZ-UHFFFAOYSA-N 0 0 428.529 3.899 50 0 IHAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1c[nH]nc1-c1ccccc1)SCC(=O)N2 ZINC000096117419 569384109 /nfs/dbraw/zinc/38/41/09/569384109.db2.gz JPMWACCJTQWRAC-SFHVURJKSA-N 0 0 427.555 3.822 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2nc3ccncc3n2CC(C)C)C1 ZINC000096125406 569385648 /nfs/dbraw/zinc/38/56/48/569385648.db2.gz FFYNZXLUWUXHJV-HNNXBMFYSA-N 0 0 448.976 3.928 50 0 IHAARN COc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)oc2c1OC ZINC000096222793 569387332 /nfs/dbraw/zinc/38/73/32/569387332.db2.gz QMTAOGWKVBADIL-UHFFFAOYSA-N 0 0 449.507 3.908 50 0 biogenic IHAARN COc1ccccc1[C@H](CC(=O)NCCN1CCOCC1)c1c[nH]c2ccc(Cl)cc21 ZINC000096275265 569388254 /nfs/dbraw/zinc/38/82/54/569388254.db2.gz SHSYEGJAROPYBV-IBGZPJMESA-N 0 0 441.959 3.800 50 0 IHAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)[C@@]3(Cl)C[C@H]3F)c2)n1 ZINC000096278465 569389078 /nfs/dbraw/zinc/38/90/78/569389078.db2.gz XOGFVFXDVWRDSJ-DYESRHJHSA-N 0 0 448.857 3.757 50 0 IHAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2cccc(C)c2)SCC1=O ZINC000096279323 569389302 /nfs/dbraw/zinc/38/93/02/569389302.db2.gz GVABOCIBXGVMGB-FQEVSTJZSA-N 0 0 428.602 3.721 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1CCOC ZINC000096287000 569390325 /nfs/dbraw/zinc/39/03/25/569390325.db2.gz NTTMPSLOBUIAHU-MRXNPFEDSA-N 0 0 425.558 3.807 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC2CC2)C(=O)NC(C)C)cc1 ZINC000096288756 569390548 /nfs/dbraw/zinc/39/05/48/569390548.db2.gz XSSDJZJLOIQOHD-UHFFFAOYSA-N 0 0 432.542 3.793 50 0 IHAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2ccc(F)cc2)CC1 ZINC000096291136 569391145 /nfs/dbraw/zinc/39/11/45/569391145.db2.gz HWDITNHOAVHOEC-UHFFFAOYSA-N 0 0 439.560 3.785 50 0 IHAARN COCCN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)COCc1ccccc1 ZINC000096292245 569391247 /nfs/dbraw/zinc/39/12/47/569391247.db2.gz XKYLCDMXDPPQIT-UHFFFAOYSA-N 0 0 429.904 3.624 50 0 IHAARN O=C(c1ccccc1)N(C[C@H]1CCCO1)C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000096294494 569391785 /nfs/dbraw/zinc/39/17/85/569391785.db2.gz YEZHYBBSTDRTIU-UXHICEINSA-N 0 0 442.943 3.502 50 0 IHAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000096316855 569392880 /nfs/dbraw/zinc/39/28/80/569392880.db2.gz ZYBRFQGVCIXCNZ-UHFFFAOYSA-N 0 0 427.980 3.964 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccccc2F)CC1 ZINC000096316991 569392988 /nfs/dbraw/zinc/39/29/88/569392988.db2.gz NVZGQPTUZJQPRA-UHFFFAOYSA-N 0 0 448.608 3.575 50 0 IHAARN CCC(=O)N1CCN(c2nc(C3CC3)nc(COC)c2Cc2cccc(Cl)c2)CC1 ZINC000096317161 569393223 /nfs/dbraw/zinc/39/32/23/569393223.db2.gz UTZCAYDCCFSMEH-UHFFFAOYSA-N 0 0 428.964 3.803 50 0 IHAARN CC(=O)c1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1 ZINC000096318265 569393875 /nfs/dbraw/zinc/39/38/75/569393875.db2.gz XHXYJGIBVOKKDD-UHFFFAOYSA-N 0 0 441.487 3.611 50 0 IHAARN Cc1[nH]c(C(=O)Nc2ccc(Br)cc2F)c(C)c1S(=O)(=O)N1CCCC1 ZINC000096319979 569393967 /nfs/dbraw/zinc/39/39/67/569393967.db2.gz KSRNKBJAAMYJRQ-UHFFFAOYSA-N 0 0 444.326 3.570 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)cc5)no4)ccn3n2)cc1 ZINC000096322239 569394427 /nfs/dbraw/zinc/39/44/27/569394427.db2.gz SRNAGWJIZOQFGK-UHFFFAOYSA-N 0 0 427.464 3.968 50 0 IHAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)NCc2cccc(OC)c2)C4)cc1 ZINC000096323762 569395498 /nfs/dbraw/zinc/39/54/98/569395498.db2.gz IKIIDVOPGJOYAT-UHFFFAOYSA-N 0 0 449.536 3.743 50 0 IHAARN CC(C)NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000096324476 569396005 /nfs/dbraw/zinc/39/60/05/569396005.db2.gz SNEIKDGFLYFEGB-UHFFFAOYSA-N 0 0 426.517 3.558 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096331523 569396385 /nfs/dbraw/zinc/39/63/85/569396385.db2.gz UVSLCRLMSUEZAK-UHFFFAOYSA-N 0 0 435.434 3.538 50 0 IHAARN COc1c2c(cc(C[C@@H]3CC(c4sc5nc(C)cc(C)c5c4N)=NO3)c1OC)OCO2 ZINC000096335743 569396646 /nfs/dbraw/zinc/39/66/46/569396646.db2.gz NPWMPCIEXGLKLJ-CYBMUJFWSA-N 0 0 441.509 3.977 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000096371206 569397805 /nfs/dbraw/zinc/39/78/05/569397805.db2.gz GRFYOSKRRAHOCG-GOSISDBHSA-N 0 0 435.954 3.730 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(CCNC(=O)C4CCC4)cs3)C2)cc1 ZINC000096373269 569398034 /nfs/dbraw/zinc/39/80/34/569398034.db2.gz PEELSGOFWJTTMC-SFHVURJKSA-N 0 0 427.570 3.630 50 0 IHAARN COc1ccc(S(=O)(=O)C2CN(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000096378141 569398193 /nfs/dbraw/zinc/39/81/93/569398193.db2.gz REGZTPSNAZICNJ-UHFFFAOYSA-N 0 0 436.533 3.652 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)c1OC ZINC000096387004 569398793 /nfs/dbraw/zinc/39/87/93/569398793.db2.gz CMQVKGOKCLEPEZ-HXUWFJFHSA-N 0 0 431.492 3.815 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)c2ccccc2)c1OC ZINC000096396619 569399099 /nfs/dbraw/zinc/39/90/99/569399099.db2.gz ZYLYNKVKGCZVSK-QHCPKHFHSA-N 0 0 430.504 3.760 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000096399478 569400021 /nfs/dbraw/zinc/40/00/21/569400021.db2.gz WWYBRIACLAKCHY-UHFFFAOYSA-N 0 0 437.568 3.797 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)N(C)Cc3ccccc3)sc2c1 ZINC000096399560 569400173 /nfs/dbraw/zinc/40/01/73/569400173.db2.gz MIKADYSSRKSSBZ-UHFFFAOYSA-N 0 0 435.596 3.809 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3OC)sc2c1 ZINC000096399528 569400206 /nfs/dbraw/zinc/40/02/06/569400206.db2.gz OLZZJDXWWRESSD-UHFFFAOYSA-N 0 0 437.568 3.797 50 0 IHAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000096936860 569402656 /nfs/dbraw/zinc/40/26/56/569402656.db2.gz KHJVETYPJQBJNA-QHCPKHFHSA-N 0 0 435.499 3.663 50 0 IHAARN CCC(CC)C(=O)N1CCN(Cc2cc(=O)c(OCc3cc(C)cc(C)c3)co2)CC1 ZINC000022321887 569402878 /nfs/dbraw/zinc/40/28/78/569402878.db2.gz AYEWVFAQLYUMHE-UHFFFAOYSA-N 0 0 426.557 3.916 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097077925 569402940 /nfs/dbraw/zinc/40/29/40/569402940.db2.gz GQDKCAJJOHMCRH-OAHLLOKOSA-N 0 0 428.901 3.980 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097077927 569403017 /nfs/dbraw/zinc/40/30/17/569403017.db2.gz GQDKCAJJOHMCRH-HNNXBMFYSA-N 0 0 428.901 3.980 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000097097807 569403070 /nfs/dbraw/zinc/40/30/70/569403070.db2.gz QPYHZRQQVUVSCE-MRXNPFEDSA-N 0 0 440.550 3.804 50 0 IHAARN CCSc1ccccc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225544176 569404092 /nfs/dbraw/zinc/40/40/92/569404092.db2.gz VIXFCHNXBIKVHX-UHFFFAOYSA-N 0 0 440.544 3.907 50 0 IHAARN O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH]n1 ZINC000225561518 569404495 /nfs/dbraw/zinc/40/44/95/569404495.db2.gz ZTTKTSKJMCWCLB-UHFFFAOYSA-N 0 0 436.443 3.550 50 0 IHAARN Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000225583979 569404883 /nfs/dbraw/zinc/40/48/83/569404883.db2.gz HJPFSFYAFUDRCV-UHFFFAOYSA-N 0 0 438.475 3.565 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000002487325 569405198 /nfs/dbraw/zinc/40/51/98/569405198.db2.gz MXOVMTYJHATWMI-NRFANRHFSA-N 0 0 446.569 3.951 50 0 IHAARN CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002496939 569405675 /nfs/dbraw/zinc/40/56/75/569405675.db2.gz HGYHKUNBWJFZPR-JTQLQIEISA-N 0 0 441.372 3.687 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002494176 569405696 /nfs/dbraw/zinc/40/56/96/569405696.db2.gz IPPXPALMHWXJGZ-UHFFFAOYSA-N 0 0 434.543 3.861 50 0 IHAARN CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 ZINC000225615692 569405781 /nfs/dbraw/zinc/40/57/81/569405781.db2.gz APXYDLDYCXAAHW-UHFFFAOYSA-N 0 0 440.565 3.741 50 0 IHAARN CCn1c2ccccc2nc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000028069134 569407168 /nfs/dbraw/zinc/40/71/68/569407168.db2.gz XLDNLOLGNONXCY-UHFFFAOYSA-N 0 0 426.498 3.658 50 0 IHAARN O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000225738153 569407794 /nfs/dbraw/zinc/40/77/94/569407794.db2.gz HLAKKHRAZBALCS-UHFFFAOYSA-N 0 0 434.462 3.582 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(OCC)c(OCC)c4)c(=O)n3n2)cc1 ZINC000002533582 569408147 /nfs/dbraw/zinc/40/81/47/569408147.db2.gz YNWIKESCPXYMGC-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN COc1ccccc1-c1cc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)[nH]n1 ZINC000225756087 569408175 /nfs/dbraw/zinc/40/81/75/569408175.db2.gz DJPIIPCAWPXHJP-UHFFFAOYSA-N 0 0 448.552 3.936 50 0 IHAARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000028228564 569409284 /nfs/dbraw/zinc/40/92/84/569409284.db2.gz BXDRPPSBTICQEX-PXNSSMCTSA-N 0 0 441.524 3.962 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2cccnc2)cc1 ZINC000002619349 569410737 /nfs/dbraw/zinc/41/07/37/569410737.db2.gz KIWCMEVOJVMYOJ-UHFFFAOYSA-N 0 0 436.497 3.755 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000215673134 569411240 /nfs/dbraw/zinc/41/12/40/569411240.db2.gz TVPLGSJKPDWVKA-FQEVSTJZSA-N 0 0 425.529 3.666 50 0 IHAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NC(=O)NCc1ccccc1 ZINC000002627310 569411825 /nfs/dbraw/zinc/41/18/25/569411825.db2.gz DXRGLXRWJKUERU-UHFFFAOYSA-N 0 0 429.432 3.678 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000002647596 569414416 /nfs/dbraw/zinc/41/44/16/569414416.db2.gz MJKMKJDXOUYAFS-XHCCPWGMSA-N 0 0 439.515 3.654 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 ZINC000002649667 569414575 /nfs/dbraw/zinc/41/45/75/569414575.db2.gz BPVNUGGHFHDKNR-AFMDSPMNSA-N 0 0 427.504 3.554 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 ZINC000002649665 569414584 /nfs/dbraw/zinc/41/45/84/569414584.db2.gz BPVNUGGHFHDKNR-SIBVEZHUSA-N 0 0 427.504 3.554 50 0 IHAARN O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000002651872 569414885 /nfs/dbraw/zinc/41/48/85/569414885.db2.gz UXTDFZZZBQRHLK-UHFFFAOYSA-N 0 0 437.473 3.524 50 0 IHAARN CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)CCCC2 ZINC000002653324 569415136 /nfs/dbraw/zinc/41/51/36/569415136.db2.gz QWOFZEOIPDRLLV-LBPRGKRZSA-N 0 0 443.525 3.728 50 0 IHAARN CCc1cccc2c(C(=O)COC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c[nH]c21 ZINC000002661100 569415999 /nfs/dbraw/zinc/41/59/99/569415999.db2.gz GDQHXLHMJFDTFX-UHFFFAOYSA-N 0 0 442.537 3.801 50 0 IHAARN O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000002661794 569416178 /nfs/dbraw/zinc/41/61/78/569416178.db2.gz PMSJFKMNMBKAHP-INIZCTEOSA-N 0 0 441.578 3.712 50 0 IHAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2)c1cccs1 ZINC000002664385 569416419 /nfs/dbraw/zinc/41/64/19/569416419.db2.gz ROKAFQXYJOZWKL-LJQANCHMSA-N 0 0 447.516 3.616 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000002664750 569416505 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50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2O)sc2c1CC[C@H](C)C2 ZINC000003313016 569445573 /nfs/dbraw/zinc/44/55/73/569445573.db2.gz WXCIUQUTLICDIC-STQMWFEESA-N 0 0 431.510 3.939 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003319134 569445845 /nfs/dbraw/zinc/44/58/45/569445845.db2.gz VDQXQPFONPAYRD-GOSISDBHSA-N 0 0 444.487 3.730 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003331725 569446502 /nfs/dbraw/zinc/44/65/02/569446502.db2.gz HEDUIPHJHHWJFP-UHFFFAOYSA-N 0 0 444.443 3.600 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2cc(C)ccc2C)c(C)n1C[C@@H]1CCCO1 ZINC000003348452 569447275 /nfs/dbraw/zinc/44/72/75/569447275.db2.gz ZYPOKFFSNRIWBE-SFHVURJKSA-N 0 0 425.558 3.851 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000058099461 569447365 /nfs/dbraw/zinc/44/73/65/569447365.db2.gz NXGYGRFTLFSGGA-UHFFFAOYSA-N 0 0 428.489 3.933 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCCC2 ZINC000003351979 569447404 /nfs/dbraw/zinc/44/74/04/569447404.db2.gz VNUGFAHRTIYQRO-UHFFFAOYSA-N 0 0 426.416 3.540 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1 ZINC000003352030 569447426 /nfs/dbraw/zinc/44/74/26/569447426.db2.gz RHXILSCAILWPOI-UHFFFAOYSA-N 0 0 427.460 3.874 50 0 IHAARN CCCn1c(=O)c2c(C(=O)OCC)cc(-c3ccc(Cl)s3)nc2n(CCC)c1=O ZINC000003356364 569447658 /nfs/dbraw/zinc/44/76/58/569447658.db2.gz NNYFGFPUFNITKF-UHFFFAOYSA-N 0 0 435.933 3.937 50 0 IHAARN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CCCC2 ZINC000003358502 569447786 /nfs/dbraw/zinc/44/77/86/569447786.db2.gz XHSTWBOHTUOYOM-GFCCVEGCSA-N 0 0 444.509 3.541 50 0 IHAARN CCOC(=O)c1cccc(N(CC)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 ZINC000058129941 569448145 /nfs/dbraw/zinc/44/81/45/569448145.db2.gz BKGOOQCGVBXCAQ-UHFFFAOYSA-N 0 0 442.516 3.810 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000003370209 569448312 /nfs/dbraw/zinc/44/83/12/569448312.db2.gz QVRFTNOWNAZYBN-NRFANRHFSA-N 0 0 444.329 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ZINC000030997076 569452189 /nfs/dbraw/zinc/45/21/89/569452189.db2.gz GLQXULDPJBUYMA-FQEVSTJZSA-N 0 0 430.595 3.773 50 0 IHAARN COc1cc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)ccc1N1CCCC1=O ZINC000031028573 569452498 /nfs/dbraw/zinc/45/24/98/569452498.db2.gz SSXBLPGGQRJDOG-UHFFFAOYSA-N 0 0 448.479 3.989 50 0 IHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)cc1 ZINC000003548227 569453751 /nfs/dbraw/zinc/45/37/51/569453751.db2.gz UPIKHHBIQRRECU-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O ZINC000003563642 569454097 /nfs/dbraw/zinc/45/40/97/569454097.db2.gz RXGONSFLDQSEMC-HXUWFJFHSA-N 0 0 426.344 3.990 50 0 IHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000031192012 569454647 /nfs/dbraw/zinc/45/46/47/569454647.db2.gz FVOWKNZNBCSKSQ-UHFFFAOYSA-N 0 0 444.466 3.936 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(I)cc1C ZINC000003606361 569454917 /nfs/dbraw/zinc/45/49/17/569454917.db2.gz XOZVQXTTXKBIPC-UHFFFAOYSA-N 0 0 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COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3c2=O)c1 ZINC000032088110 569459488 /nfs/dbraw/zinc/45/94/88/569459488.db2.gz GZWSSOASPLRNTP-INIZCTEOSA-N 0 0 429.476 3.894 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)c(OC)c2)C12CCCC2 ZINC000032092295 569459640 /nfs/dbraw/zinc/45/96/40/569459640.db2.gz ADLWNUHSBWHRMT-JOCHJYFZSA-N 0 0 438.524 3.841 50 0 IHAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000032092261 569459656 /nfs/dbraw/zinc/45/96/56/569459656.db2.gz CCIJGHCVEGHCOJ-HNNXBMFYSA-N 0 0 434.521 3.530 50 0 IHAARN COc1cc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc(OC)c1 ZINC000032101844 569460127 /nfs/dbraw/zinc/46/01/27/569460127.db2.gz MHTUXYWPCWDERH-GOSISDBHSA-N 0 0 426.860 3.743 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2 ZINC000004229149 569461073 /nfs/dbraw/zinc/46/10/73/569461073.db2.gz IXWHOUJXFUPRFA-UHFFFAOYSA-N 0 0 440.521 3.819 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)ccc21 ZINC000032410800 569461589 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O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)NCCC1=CCCCC1 ZINC000067208406 569464723 /nfs/dbraw/zinc/46/47/23/569464723.db2.gz JEYRXCDPGMBUNG-UHFFFAOYSA-N 0 0 427.508 3.718 50 0 IHAARN Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)cc1F ZINC000067208488 569464727 /nfs/dbraw/zinc/46/47/27/569464727.db2.gz QEFURSXKLQFUNL-UHFFFAOYSA-N 0 0 427.439 3.797 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1 ZINC000067208726 569464774 /nfs/dbraw/zinc/46/47/74/569464774.db2.gz MHRDTCYEMQLLQX-UHFFFAOYSA-N 0 0 441.413 3.778 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2C)no1 ZINC000067217405 569464948 /nfs/dbraw/zinc/46/49/48/569464948.db2.gz QKRUJELGTGMAFO-UHFFFAOYSA-N 0 0 430.486 3.922 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1F ZINC000067218414 569464991 /nfs/dbraw/zinc/46/49/91/569464991.db2.gz UAGSRIYCKAORBS-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3C)c2=O)c1C ZINC000067218515 569465021 /nfs/dbraw/zinc/46/50/21/569465021.db2.gz SPBDEXLSXVPABJ-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN CCc1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 ZINC000067225684 569465181 /nfs/dbraw/zinc/46/51/81/569465181.db2.gz XSSIKULBAUYIRG-UHFFFAOYSA-N 0 0 433.537 3.691 50 0 IHAARN C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)c3s2)C1 ZINC000067226198 569465301 /nfs/dbraw/zinc/46/53/01/569465301.db2.gz JPZVRPJCEBCSNF-NSHDSACASA-N 0 0 435.912 3.521 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 ZINC000067236197 569465361 /nfs/dbraw/zinc/46/53/61/569465361.db2.gz GDHIHTOHODNWKW-UHFFFAOYSA-N 0 0 438.509 3.804 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000067238691 569465625 /nfs/dbraw/zinc/46/56/25/569465625.db2.gz PEVZGWMSOUXXGK-CYBMUJFWSA-N 0 0 430.530 3.752 50 0 IHAARN O=C1CCCN1c1ccc(Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)cc1 ZINC000067258214 569466141 /nfs/dbraw/zinc/46/61/41/569466141.db2.gz QPMFCLLWBRESEM-UHFFFAOYSA-N 0 0 435.480 3.528 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4C)ccn3n2)cc1 ZINC000067261243 569466457 /nfs/dbraw/zinc/46/64/57/569466457.db2.gz URNVLOURWUSMLQ-UHFFFAOYSA-N 0 0 430.508 3.577 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4Cl)c3)n2)c1 ZINC000067289377 569467488 /nfs/dbraw/zinc/46/74/88/569467488.db2.gz ARSFMDJQFGITEK-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000067291477 569467690 /nfs/dbraw/zinc/46/76/90/569467690.db2.gz ZTYYIBBXAOBVER-UHFFFAOYSA-N 0 0 438.528 3.919 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067292865 569467714 /nfs/dbraw/zinc/46/77/14/569467714.db2.gz OQVPKCHHNLYNDG-PIHGLKBESA-N 0 0 440.883 3.999 50 0 IHAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)cc(OC)c1 ZINC000067293788 569467784 /nfs/dbraw/zinc/46/77/84/569467784.db2.gz FZSQOZOCCRMFIG-HIDBMEOHSA-N 0 0 438.480 3.600 50 0 IHAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)cc1F ZINC000067294187 569467850 /nfs/dbraw/zinc/46/78/50/569467850.db2.gz UYDMKTDHMUOFCC-UYNDQYDWSA-N 0 0 426.444 3.730 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000067300548 569468222 /nfs/dbraw/zinc/46/82/22/569468222.db2.gz YGDHJARSKFNMKV-UHFFFAOYSA-N 0 0 439.943 3.971 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1OC ZINC000067319389 569468534 /nfs/dbraw/zinc/46/85/34/569468534.db2.gz YNBREZQSQRPVJK-CQSZACIVSA-N 0 0 444.557 3.601 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)Nc3nc(-c4cc(F)ccc4F)cs3)nc2n1 ZINC000008621738 569469418 /nfs/dbraw/zinc/46/94/18/569469418.db2.gz DPKFZPXYNRBEBC-UHFFFAOYSA-N 0 0 432.481 3.874 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000008626176 569469487 /nfs/dbraw/zinc/46/94/87/569469487.db2.gz RMDBNCUUCNRJEP-UHFFFAOYSA-N 0 0 431.554 3.529 50 0 IHAARN COc1cccc(-n2nc(C(=O)Nc3ccc(OC)cc3OC)c3ccccc3c2=O)c1 ZINC000008662547 569470013 /nfs/dbraw/zinc/47/00/13/569470013.db2.gz GRPXJEOHAFFJRU-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008703907 569470220 /nfs/dbraw/zinc/47/02/20/569470220.db2.gz LOKNBIBXSPXWKT-SFHVURJKSA-N 0 0 443.594 3.543 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H](c3nc4ccccc4s3)C1)CCC2 ZINC000008705242 569470368 /nfs/dbraw/zinc/47/03/68/569470368.db2.gz ZPKNKZYJPFYHGH-CYBMUJFWSA-N 0 0 440.594 3.764 50 0 IHAARN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000008707859 569470625 /nfs/dbraw/zinc/47/06/25/569470625.db2.gz VVSADXRFQNKVHE-MRXNPFEDSA-N 0 0 433.537 3.949 50 0 IHAARN Cc1ccc(-n2ccnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000008709745 569470776 /nfs/dbraw/zinc/47/07/76/569470776.db2.gz QUFMLQYAEFFJOP-LJQANCHMSA-N 0 0 447.626 3.540 50 0 IHAARN Fc1cccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCOCC2)c1 ZINC000008710894 569470977 /nfs/dbraw/zinc/47/09/77/569470977.db2.gz OXVZXRJCRMXNAR-UHFFFAOYSA-N 0 0 436.516 3.721 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)n1C[C@H]1CCCO1 ZINC000008713710 569471081 /nfs/dbraw/zinc/47/10/81/569471081.db2.gz UZHBCLZOZGECHE-DOTOQJQBSA-N 0 0 442.537 3.756 50 0 IHAARN CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000008717801 569471189 /nfs/dbraw/zinc/47/11/89/569471189.db2.gz IXGURDVWMVEHMI-IBGZPJMESA-N 0 0 438.524 3.963 50 0 IHAARN O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000008720500 569471614 /nfs/dbraw/zinc/47/16/14/569471614.db2.gz COOROJGSAXJYDJ-UHFFFAOYSA-N 0 0 438.528 3.707 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NCc1ccccc1Cl ZINC000008721369 569471688 /nfs/dbraw/zinc/47/16/88/569471688.db2.gz LCHKHLIEPRSGHU-UHFFFAOYSA-N 0 0 441.988 3.925 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008724873 569472045 /nfs/dbraw/zinc/47/20/45/569472045.db2.gz OQRZKCIDVKCSFQ-UHFFFAOYSA-N 0 0 426.494 3.620 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccnc1Cl ZINC000008725769 569472192 /nfs/dbraw/zinc/47/21/92/569472192.db2.gz VRXYAWIYFATCKD-UHFFFAOYSA-N 0 0 428.949 3.642 50 0 IHAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cccc(Br)c3)C2=O)cc1 ZINC000008734050 569472525 /nfs/dbraw/zinc/47/25/25/569472525.db2.gz OEVROOLROMQCEQ-OAQYLSRUSA-N 0 0 445.313 3.584 50 0 IHAARN O=C(c1cc(Cl)sc1Cl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000008735872 569472648 /nfs/dbraw/zinc/47/26/48/569472648.db2.gz HXLVRKBDXKLIAC-UHFFFAOYSA-N 0 0 439.773 3.855 50 0 IHAARN CCn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000008752574 569473566 /nfs/dbraw/zinc/47/35/66/569473566.db2.gz XUGNIJZMNMZGEU-FQEVSTJZSA-N 0 0 438.553 3.666 50 0 IHAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008752982 569473650 /nfs/dbraw/zinc/47/36/50/569473650.db2.gz PIUJBBWUTFICLA-CYBMUJFWSA-N 0 0 446.536 3.980 50 0 IHAARN COc1ccccc1N(C[C@H](O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 ZINC000008754170 569473806 /nfs/dbraw/zinc/47/38/06/569473806.db2.gz VODADBJXJKFFQM-FQEVSTJZSA-N 0 0 441.549 3.947 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008772351 569475299 /nfs/dbraw/zinc/47/52/99/569475299.db2.gz FNILJXJHCBPAAD-OAQYLSRUSA-N 0 0 431.521 3.560 50 0 IHAARN CCCCn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008778541 569475526 /nfs/dbraw/zinc/47/55/26/569475526.db2.gz PGSZSYQMKFUYMR-UHFFFAOYSA-N 0 0 448.633 3.858 50 0 IHAARN CCc1ccc([C@H]2CN3C(=O)CN(CCCOC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789139 569475938 /nfs/dbraw/zinc/47/59/38/569475938.db2.gz ITVWUTZRWUGTPU-ZBLYBZFDSA-N 0 0 445.563 3.798 50 0 biogenic IHAARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCc3ccc(C)cc3)C2)cc1OCC ZINC000008812714 569476620 /nfs/dbraw/zinc/47/66/20/569476620.db2.gz XUYNQAUVKZJZJK-JOCHJYFZSA-N 0 0 438.568 3.542 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NCc3ccccc3)c(O)c2c1 ZINC000008813187 569476712 /nfs/dbraw/zinc/47/67/12/569476712.db2.gz XPLHXLOBJRAQSE-UHFFFAOYSA-N 0 0 447.516 3.567 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008849310 569479228 /nfs/dbraw/zinc/47/92/28/569479228.db2.gz NOPDEUWJXXGKSU-UHFFFAOYSA-N 0 0 436.555 3.742 50 0 IHAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1 ZINC000008850930 569479353 /nfs/dbraw/zinc/47/93/53/569479353.db2.gz PHQZPFUAQCWQFD-UHFFFAOYSA-N 0 0 445.541 3.881 50 0 IHAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3cccs3)cs2)c1 ZINC000008850960 569479359 /nfs/dbraw/zinc/47/93/59/569479359.db2.gz WJXLZIXCNPURHC-UHFFFAOYSA-N 0 0 433.580 3.803 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC)Cc2ccc(Cl)s2)C1=O ZINC000008851834 569479401 /nfs/dbraw/zinc/47/94/01/569479401.db2.gz UPXBCYUPADGWGK-OAQYLSRUSA-N 0 0 433.961 3.997 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n(-c2ccccc2)n1 ZINC000008861311 569479996 /nfs/dbraw/zinc/47/99/96/569479996.db2.gz MLPOPBODRFYIRV-UHFFFAOYSA-N 0 0 449.540 3.582 50 0 IHAARN CCc1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000008869309 569480444 /nfs/dbraw/zinc/48/04/44/569480444.db2.gz KZKVYOMONWRLPF-HXUWFJFHSA-N 0 0 429.513 3.893 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)OC ZINC000008877876 569481237 /nfs/dbraw/zinc/48/12/37/569481237.db2.gz JPUZZTXJISQPDB-UZFJHSOTSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CN1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000039844236 569481857 /nfs/dbraw/zinc/48/18/57/569481857.db2.gz MHJHLMDFWOUMOB-UHFFFAOYSA-N 0 0 435.908 3.719 50 0 IHAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000039844099 569481889 /nfs/dbraw/zinc/48/18/89/569481889.db2.gz DTXUMMAOHXRCOA-UHFFFAOYSA-N 0 0 447.944 3.572 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCO3)C2=O ZINC000039976103 569482125 /nfs/dbraw/zinc/48/21/25/569482125.db2.gz QVJXCRZTIRFHHV-FQEVSTJZSA-N 0 0 434.492 3.506 50 0 IHAARN COCCCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000008882067 569482911 /nfs/dbraw/zinc/48/29/11/569482911.db2.gz BFPJFPUUVVSQDF-UHFFFAOYSA-N 0 0 441.948 3.903 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@](=O)C3)c(C)c1 ZINC000008884967 569483167 /nfs/dbraw/zinc/48/31/67/569483167.db2.gz OUMBPBLUZYKFSC-GDLZYMKVSA-N 0 0 429.929 3.922 50 0 IHAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000008884644 569483176 /nfs/dbraw/zinc/48/31/76/569483176.db2.gz UEOJQADMRODAIN-KRWDZBQOSA-N 0 0 441.549 3.778 50 0 IHAARN O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000040034669 569483275 /nfs/dbraw/zinc/48/32/75/569483275.db2.gz ZWLCKAZKQQXMIY-CYBMUJFWSA-N 0 0 425.601 3.513 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@H](C)C(=O)N4CCCC4)cc3)ccc12 ZINC000008888314 569483277 /nfs/dbraw/zinc/48/32/77/569483277.db2.gz OQKKKPQUOGVBBT-QGZVFWFLSA-N 0 0 435.476 3.848 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC ZINC000040039795 569483324 /nfs/dbraw/zinc/48/33/24/569483324.db2.gz JPQNBJJNBDUDLB-SFHVURJKSA-N 0 0 437.471 3.675 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059870 569484822 /nfs/dbraw/zinc/48/48/22/569484822.db2.gz AGPFQNPLNMRZKS-AWEZNQCLSA-N 0 0 432.402 3.975 50 0 IHAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000008912627 569485066 /nfs/dbraw/zinc/48/50/66/569485066.db2.gz DFWIBZDVLSILMY-QGZVFWFLSA-N 0 0 427.599 3.626 50 0 IHAARN O=C(COC(=O)COc1c(F)c(F)cc(F)c1F)Nc1ccc(Br)cc1 ZINC000008915895 569485636 /nfs/dbraw/zinc/48/56/36/569485636.db2.gz COBKGNFBDFCJEU-UHFFFAOYSA-N 0 0 436.155 3.566 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)oc2c1 ZINC000008916289 569485743 /nfs/dbraw/zinc/48/57/43/569485743.db2.gz BOPLZPGHVZDQMF-MRXNPFEDSA-N 0 0 440.521 3.917 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918741 569486312 /nfs/dbraw/zinc/48/63/12/569486312.db2.gz PFNVRCXHNLRTLY-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918829 569486368 /nfs/dbraw/zinc/48/63/68/569486368.db2.gz NNIAJILYICUNGF-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN COc1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)cc1 ZINC000040096828 569487537 /nfs/dbraw/zinc/48/75/37/569487537.db2.gz FVDNCXODWCKPJX-UHFFFAOYSA-N 0 0 429.542 3.676 50 0 IHAARN COc1cc(OC)cc(C(=O)N(C(=O)c2cc(OC)cc(OC)c2)c2cccc(C)n2)c1 ZINC000008931590 569487552 /nfs/dbraw/zinc/48/75/52/569487552.db2.gz QXHQKTXXLUTOHS-UHFFFAOYSA-N 0 0 436.464 3.912 50 0 IHAARN CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)CC1 ZINC000008933740 569487841 /nfs/dbraw/zinc/48/78/41/569487841.db2.gz FFULUDVXABTWDK-OAQYLSRUSA-N 0 0 445.567 3.774 50 0 IHAARN CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)CC1 ZINC000008933741 569487862 /nfs/dbraw/zinc/48/78/62/569487862.db2.gz FFULUDVXABTWDK-NRFANRHFSA-N 0 0 445.567 3.774 50 0 IHAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104496 569488167 /nfs/dbraw/zinc/48/81/67/569488167.db2.gz LNBJGNGVYKLWLC-UHFFFAOYSA-N 0 0 437.525 3.554 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000008938774 569488223 /nfs/dbraw/zinc/48/82/23/569488223.db2.gz KTQUBTVQMQXELJ-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN C[C@@H](NC(=O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1)c1cccc2ccccc21 ZINC000008944056 569488929 /nfs/dbraw/zinc/48/89/29/569488929.db2.gz LBGMYZVSTIYNET-GOSISDBHSA-N 0 0 428.536 3.997 50 0 IHAARN CC(C)c1ccc(CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 ZINC000008945319 569489009 /nfs/dbraw/zinc/48/90/09/569489009.db2.gz PRRCTRHJPNQDAM-UHFFFAOYSA-N 0 0 425.598 3.821 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O ZINC000040114567 569489096 /nfs/dbraw/zinc/48/90/96/569489096.db2.gz UJMJVKVWMGVIOJ-CMJOXMDJSA-N 0 0 441.553 3.990 50 0 IHAARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O ZINC000040116847 569489327 /nfs/dbraw/zinc/48/93/27/569489327.db2.gz MLGPPFZDOCDAEP-HXUWFJFHSA-N 0 0 425.451 3.702 50 0 IHAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000040121286 569489481 /nfs/dbraw/zinc/48/94/81/569489481.db2.gz XUTAFUPTGYGJGH-INIZCTEOSA-N 0 0 425.367 3.619 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1nc(-c2ccccc2)ns1 ZINC000040122711 569489637 /nfs/dbraw/zinc/48/96/37/569489637.db2.gz SAQWGABJWUJJCM-UHFFFAOYSA-N 0 0 437.550 3.884 50 0 IHAARN COC(=O)COc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000040133653 569490465 /nfs/dbraw/zinc/49/04/65/569490465.db2.gz OWMDYUMCPTZDIR-UHFFFAOYSA-N 0 0 429.423 3.500 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000040135352 569490663 /nfs/dbraw/zinc/49/06/63/569490663.db2.gz NFRLTMSZVMACNT-HUUCEWRRSA-N 0 0 442.947 3.893 50 0 IHAARN CN(c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F)C1CCCCC1 ZINC000040138950 569490790 /nfs/dbraw/zinc/49/07/90/569490790.db2.gz OMSTWIXFGADFPE-UHFFFAOYSA-N 0 0 434.537 3.564 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008965674 569491478 /nfs/dbraw/zinc/49/14/78/569491478.db2.gz PAYJFBLDWIEPNK-LLVKDONJSA-N 0 0 429.885 3.713 50 0 IHAARN COc1ccc(CCNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1OC ZINC000040140264 569491534 /nfs/dbraw/zinc/49/15/34/569491534.db2.gz BMLSRPHYKILMPN-UHFFFAOYSA-N 0 0 427.451 3.629 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1N)c1ccc2c(c1)CCCC2 ZINC000008966402 569491766 /nfs/dbraw/zinc/49/17/66/569491766.db2.gz GEHBNWOOELAFIX-CQSZACIVSA-N 0 0 425.533 3.646 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1nnc2ccccn21 ZINC000040143903 569491970 /nfs/dbraw/zinc/49/19/70/569491970.db2.gz GEFNNQPLNQXGES-UHFFFAOYSA-N 0 0 429.311 3.698 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000040144697 569492029 /nfs/dbraw/zinc/49/20/29/569492029.db2.gz HXNDCMRHEVRSDZ-UHFFFAOYSA-N 0 0 427.549 3.723 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1nnnn1-c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000008973051 569492770 /nfs/dbraw/zinc/49/27/70/569492770.db2.gz NPZIILURXDOGQE-SFHVURJKSA-N 0 0 441.948 3.798 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)Nc3ccccc3)n2)CC1 ZINC000008979892 569493077 /nfs/dbraw/zinc/49/30/77/569493077.db2.gz SOXMQJGIBBHXDS-UHFFFAOYSA-N 0 0 437.525 3.758 50 0 IHAARN Cc1noc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)c(C)c2)n1 ZINC000040152495 569493490 /nfs/dbraw/zinc/49/34/90/569493490.db2.gz ZIUIITSCBBEJDN-UHFFFAOYSA-N 0 0 442.431 3.995 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000040155432 569493993 /nfs/dbraw/zinc/49/39/93/569493993.db2.gz LTWUVVVGZQSDKW-HNNXBMFYSA-N 0 0 428.476 3.950 50 0 IHAARN Cc1nccn1-c1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cn1 ZINC000040156080 569494017 /nfs/dbraw/zinc/49/40/17/569494017.db2.gz CSYBQTQDLTTYRR-GKWUYRECSA-N 0 0 449.599 3.549 50 0 IHAARN COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000008982847 569494605 /nfs/dbraw/zinc/49/46/05/569494605.db2.gz LPSPOBIJRAVDBD-UHFFFAOYSA-N 0 0 438.343 3.741 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 ZINC000040158989 569494638 /nfs/dbraw/zinc/49/46/38/569494638.db2.gz YAOOZKUNLQYZKH-RDPSFJRHSA-N 0 0 440.565 3.528 50 0 IHAARN CCOc1ccc(CN(C)C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000040160385 569495160 /nfs/dbraw/zinc/49/51/60/569495160.db2.gz KQZDCYWNAQBIQW-HXUWFJFHSA-N 0 0 438.524 3.763 50 0 IHAARN C[C@@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 ZINC000009001565 569496005 /nfs/dbraw/zinc/49/60/05/569496005.db2.gz KJTBTGMIECEPBR-HIFRSBDPSA-N 0 0 429.952 3.752 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005291 569496096 /nfs/dbraw/zinc/49/60/96/569496096.db2.gz ANKHEEFQWRWDGP-QFIPXVFZSA-N 0 0 444.578 3.699 50 0 IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2Br)N1C(C)=O ZINC000009034142 569497256 /nfs/dbraw/zinc/49/72/56/569497256.db2.gz DVECIDKWIISVPT-ICSRJNTNSA-N 0 0 427.298 3.966 50 0 biogenic IHAARN COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000009040234 569497516 /nfs/dbraw/zinc/49/75/16/569497516.db2.gz RMJXJNUNMVEVDA-ZDUSSCGKSA-N 0 0 433.892 3.540 50 0 IHAARN COc1ccc2cnn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1OC ZINC000040267977 569497521 /nfs/dbraw/zinc/49/75/21/569497521.db2.gz MOKYPOREPMMCKD-UHFFFAOYSA-N 0 0 431.448 3.845 50 0 IHAARN C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c32)C1 ZINC000009041233 569497603 /nfs/dbraw/zinc/49/76/03/569497603.db2.gz HOXINOZNEIMBGK-NSHDSACASA-N 0 0 432.343 3.984 50 0 IHAARN COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000009048563 569498552 /nfs/dbraw/zinc/49/85/52/569498552.db2.gz VUCUUQFZMJOLMK-UHFFFAOYSA-N 0 0 436.533 3.937 50 0 IHAARN COc1ccc(CNC(=O)c2cn(C3CC3)c3c(cc(F)c(F)c3OC)c2=O)c(OC)c1 ZINC000009050405 569498620 /nfs/dbraw/zinc/49/86/20/569498620.db2.gz LIKHQEXPVJPNFC-UHFFFAOYSA-N 0 0 444.434 3.570 50 0 IHAARN Cc1csc(CC(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)n1 ZINC000009054208 569498848 /nfs/dbraw/zinc/49/88/48/569498848.db2.gz FTBUDMNGAVUPDH-UHFFFAOYSA-N 0 0 435.549 3.558 50 0 IHAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccc(F)cc2)[C@H](c2ccco2)C1 ZINC000009060555 569499487 /nfs/dbraw/zinc/49/94/87/569499487.db2.gz FGYQFJIOWFWYJX-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000245237352 569500447 /nfs/dbraw/zinc/50/04/47/569500447.db2.gz KOOYBPSPEFYTKQ-ZPMCFJSWSA-N 0 0 447.535 3.634 50 0 IHAARN CCc1ccccc1-n1c(-c2ccc(Cl)cc2)cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000009090179 569501003 /nfs/dbraw/zinc/50/10/03/569501003.db2.gz VJMRKVQHLSPZMJ-UHFFFAOYSA-N 0 0 433.899 3.558 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000069349418 569501691 /nfs/dbraw/zinc/50/16/91/569501691.db2.gz OFLHTEHDBFEDFP-UHFFFAOYSA-N 0 0 428.496 3.630 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000009106817 569501839 /nfs/dbraw/zinc/50/18/39/569501839.db2.gz VIGXOXYZVMLMBC-KRWDZBQOSA-N 0 0 441.983 3.895 50 0 IHAARN CCn1nc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1=O ZINC000009112823 569502449 /nfs/dbraw/zinc/50/24/49/569502449.db2.gz YVAQSFBJJKOVTJ-UHFFFAOYSA-N 0 0 427.460 3.879 50 0 IHAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000009116533 569502985 /nfs/dbraw/zinc/50/29/85/569502985.db2.gz TZGSDFFUYISLST-UHFFFAOYSA-N 0 0 427.407 3.626 50 0 IHAARN C[C@H]1CN(C(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C[C@H](C)O1 ZINC000009118459 569503361 /nfs/dbraw/zinc/50/33/61/569503361.db2.gz PFJHRVCVOUWXSW-OALUTQOASA-N 0 0 443.613 3.772 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1C ZINC000009119574 569503568 /nfs/dbraw/zinc/50/35/68/569503568.db2.gz LPPDVEJJFHHGHT-UHFFFAOYSA-N 0 0 446.532 3.962 50 0 IHAARN COc1cc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2F)cc(OC)c1OC ZINC000009119600 569503582 /nfs/dbraw/zinc/50/35/82/569503582.db2.gz WQGOOIUTXXCBKA-QGZVFWFLSA-N 0 0 445.472 3.507 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)cc1 ZINC000009120488 569503879 /nfs/dbraw/zinc/50/38/79/569503879.db2.gz ANENMXIZUGJUSQ-UHFFFAOYSA-N 0 0 426.494 3.904 50 0 IHAARN COCC(=O)N(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1ccccc1OC)C(C)C ZINC000245330399 569504034 /nfs/dbraw/zinc/50/40/34/569504034.db2.gz YDEDBUFEJSWYJC-IFMALSPDSA-N 0 0 428.548 3.933 50 0 IHAARN Cc1ccccc1-n1c(S[C@H](C(=O)NC(N)=O)c2ccccc2)nnc1-c1ccncc1 ZINC000009126428 569504921 /nfs/dbraw/zinc/50/49/21/569504921.db2.gz ZXBLOTWNBSDIHF-IBGZPJMESA-N 0 0 444.520 3.666 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CSc1nc(C)nc3sc(C)c(C)c31)[nH]c2=O ZINC000009127405 569505160 /nfs/dbraw/zinc/50/51/60/569505160.db2.gz PAHWXYRWVDKJER-UHFFFAOYSA-N 0 0 426.523 3.932 50 0 IHAARN COc1cc(C(=O)n2nc(-c3ccco3)nc2NCc2cccs2)cc(OC)c1OC ZINC000009130074 569505939 /nfs/dbraw/zinc/50/59/39/569505939.db2.gz HKHIRSCZKHHLBJ-UHFFFAOYSA-N 0 0 440.481 3.926 50 0 IHAARN Cc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c1O ZINC000009130116 569505957 /nfs/dbraw/zinc/50/59/57/569505957.db2.gz UYSRWYGHALHLAZ-UHFFFAOYSA-N 0 0 440.525 3.518 50 0 IHAARN CC(C)[C@@H](C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000009130511 569506059 /nfs/dbraw/zinc/50/60/59/569506059.db2.gz IYGAZHAPPDUUDM-HJPURHCSSA-N 0 0 448.519 3.614 50 0 IHAARN Cc1cccc(N(C)S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450514 569506327 /nfs/dbraw/zinc/50/63/27/569506327.db2.gz FIAYFXXWEGCTJC-UHFFFAOYSA-N 0 0 449.370 3.882 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000069437939 569506455 /nfs/dbraw/zinc/50/64/55/569506455.db2.gz FHINPQXNFQZVCR-UHFFFAOYSA-N 0 0 449.576 3.927 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)Cn1c2ccccc2c(=O)n(CC(C)C)c1=O ZINC000040478623 569506799 /nfs/dbraw/zinc/50/67/99/569506799.db2.gz VOEOEWRRSPKVGU-UHFFFAOYSA-N 0 0 444.329 3.529 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000040485039 569506829 /nfs/dbraw/zinc/50/68/29/569506829.db2.gz NLCVWRNHKMXUHX-FQEVSTJZSA-N 0 0 435.484 3.622 50 0 IHAARN CCCCc1ccc(-n2c(-c3cccs3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009158098 569508446 /nfs/dbraw/zinc/50/84/46/569508446.db2.gz MJTWIYXKFZOYKO-UHFFFAOYSA-N 0 0 433.537 3.747 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 ZINC000009165826 569508766 /nfs/dbraw/zinc/50/87/66/569508766.db2.gz XHXBUSHPRMJVGK-UHFFFAOYSA-N 0 0 445.541 3.526 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc2OCC(C)(C)C1=O ZINC000009167982 569509111 /nfs/dbraw/zinc/50/91/11/569509111.db2.gz RUYTXBHHHWPRCA-UHFFFAOYSA-N 0 0 446.569 3.841 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168141 569509118 /nfs/dbraw/zinc/50/91/18/569509118.db2.gz SWDXMEUQXAZFLU-UHFFFAOYSA-N 0 0 432.542 3.904 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000009169885 569509242 /nfs/dbraw/zinc/50/92/42/569509242.db2.gz PTXLFZOZPNIKKS-MRXNPFEDSA-N 0 0 445.343 3.595 50 0 IHAARN CCCN1c2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc2OCC(C)(C)C1=O ZINC000009172370 569509464 /nfs/dbraw/zinc/50/94/64/569509464.db2.gz FHJULLWNBZJAIM-UHFFFAOYSA-N 0 0 446.569 3.841 50 0 IHAARN Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009187631 569510368 /nfs/dbraw/zinc/51/03/68/569510368.db2.gz SCBYYYDDAZVTDV-UHFFFAOYSA-N 0 0 443.895 3.572 50 0 IHAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000009190246 569510504 /nfs/dbraw/zinc/51/05/04/569510504.db2.gz GTQRWBQTSRVULJ-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)nc1C ZINC000009191514 569510620 /nfs/dbraw/zinc/51/06/20/569510620.db2.gz SLSSGNGTFBRNQB-UHFFFAOYSA-N 0 0 430.555 3.981 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000009206053 569511371 /nfs/dbraw/zinc/51/13/71/569511371.db2.gz KODSTFAWLWRYOX-UHFFFAOYSA-N 0 0 431.529 3.787 50 0 IHAARN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 ZINC000009220055 569512566 /nfs/dbraw/zinc/51/25/66/569512566.db2.gz GNLYKZMKYIDJRB-KRWDZBQOSA-N 0 0 447.520 3.559 50 0 IHAARN O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000009221063 569512635 /nfs/dbraw/zinc/51/26/35/569512635.db2.gz XJAYGJKBJGZQRM-UHFFFAOYSA-N 0 0 449.576 3.789 50 0 IHAARN CCN(C(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000009222888 569512862 /nfs/dbraw/zinc/51/28/62/569512862.db2.gz RWKHSDLJHBLYRL-XJKSGUPXSA-N 0 0 440.915 3.831 50 0 IHAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009223895 569513090 /nfs/dbraw/zinc/51/30/90/569513090.db2.gz XQWNTGFRLREOLB-NSHDSACASA-N 0 0 435.354 3.624 50 0 IHAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)Nc1ccc(Cl)cc1 ZINC000009226335 569513221 /nfs/dbraw/zinc/51/32/21/569513221.db2.gz KJYMHNZFKIRULZ-RYUDHWBXSA-N 0 0 438.958 3.821 50 0 IHAARN CCc1ccccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009226354 569513311 /nfs/dbraw/zinc/51/33/11/569513311.db2.gz CSQKATMIELUADB-KGLIPLIRSA-N 0 0 432.567 3.730 50 0 IHAARN Cc1ccc(N(C)C(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009226487 569513319 /nfs/dbraw/zinc/51/33/19/569513319.db2.gz WAEIPPOVGHBHJR-CABCVRRESA-N 0 0 432.567 3.501 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009227684 569513484 /nfs/dbraw/zinc/51/34/84/569513484.db2.gz NFWGBIVSMDILLB-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4ccccc4)nn3[C@@H]21 ZINC000069701081 569513691 /nfs/dbraw/zinc/51/36/91/569513691.db2.gz CTONKXKTFJZHAQ-DEOSSOPVSA-N 0 0 438.443 3.510 50 0 IHAARN CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000009234619 569513981 /nfs/dbraw/zinc/51/39/81/569513981.db2.gz NKBFIPOZZNNWSJ-MZBJOSPHSA-N 0 0 438.568 3.775 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1Cl ZINC000009238570 569514363 /nfs/dbraw/zinc/51/43/63/569514363.db2.gz FALAYEGCSNZECF-ZWKOTPCHSA-N 0 0 429.933 3.955 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239226 569514513 /nfs/dbraw/zinc/51/45/13/569514513.db2.gz LKDRSZWOVUMVKH-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239228 569514530 /nfs/dbraw/zinc/51/45/30/569514530.db2.gz LKDRSZWOVUMVKH-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000009244512 569515088 /nfs/dbraw/zinc/51/50/88/569515088.db2.gz YEUSCDVBMZVDJB-UHFFFAOYSA-N 0 0 433.508 3.653 50 0 IHAARN CCn1c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2nc(C)c1=O ZINC000009244657 569515099 /nfs/dbraw/zinc/51/50/99/569515099.db2.gz CPUUCXCARMIUCS-NSHDSACASA-N 0 0 449.294 3.611 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009245375 569515340 /nfs/dbraw/zinc/51/53/40/569515340.db2.gz FZXKUJFAGXIOHM-ZDUSSCGKSA-N 0 0 437.568 3.551 50 0 IHAARN Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000009249925 569515583 /nfs/dbraw/zinc/51/55/83/569515583.db2.gz JGTVJSMHWVAUHV-CQSZACIVSA-N 0 0 431.439 3.964 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)S/C(=C\c4ccco4)C3=O)c2c1 ZINC000009252837 569516088 /nfs/dbraw/zinc/51/60/88/569516088.db2.gz PUHMSKSSBWWGSZ-UNOMPAQXSA-N 0 0 439.493 3.555 50 0 IHAARN Cc1c2cccc(F)c2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000009253087 569516165 /nfs/dbraw/zinc/51/61/65/569516165.db2.gz IKJAAPIYTBNSRM-OAHLLOKOSA-N 0 0 435.455 3.938 50 0 IHAARN CCC(=O)N(c1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)s1)C1CC1 ZINC000009255094 569516459 /nfs/dbraw/zinc/51/64/59/569516459.db2.gz OYKYPMYMZUNUQO-UHFFFAOYSA-N 0 0 449.583 3.793 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3ccccc3F)s2)c1C ZINC000009255375 569516538 /nfs/dbraw/zinc/51/65/38/569516538.db2.gz ZWDAIEQOKHEFHW-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009257814 569516900 /nfs/dbraw/zinc/51/69/00/569516900.db2.gz TWJSJGIQYNETEF-UHFFFAOYSA-N 0 0 437.525 3.884 50 0 IHAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)n1C ZINC000009263551 569517178 /nfs/dbraw/zinc/51/71/78/569517178.db2.gz QIQJBSQIGJPMCI-UHFFFAOYSA-N 0 0 436.896 3.926 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@H](C)C(=O)Nc1nccs1 ZINC000009263712 569517217 /nfs/dbraw/zinc/51/72/17/569517217.db2.gz KPCMWIXTVIRMKK-CQSZACIVSA-N 0 0 444.586 3.672 50 0 IHAARN COc1cccc(NC(=O)Cc2nnc(SCCOc3ccc(Cl)cc3)n2C)c1 ZINC000009263744 569517223 /nfs/dbraw/zinc/51/72/23/569517223.db2.gz CBFGBUMAGKSURE-UHFFFAOYSA-N 0 0 432.933 3.829 50 0 IHAARN Cc1ccc(C)c(Nc2nn3c(nc4cc(C(=O)NC[C@@H]5CCCO5)ccc4c3=O)s2)c1 ZINC000009274512 569518231 /nfs/dbraw/zinc/51/82/31/569518231.db2.gz JMXUDHYYVTUBLY-INIZCTEOSA-N 0 0 449.536 3.573 50 0 IHAARN CC[C@H](C(=O)NCc1ccco1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276706 569518430 /nfs/dbraw/zinc/51/84/30/569518430.db2.gz IUAMHFCZYWOAKW-HXUWFJFHSA-N 0 0 429.542 3.676 50 0 IHAARN CCN(CC)c1ccc(-n2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009282595 569518681 /nfs/dbraw/zinc/51/86/81/569518681.db2.gz FOJSYHRCLCQEGN-UHFFFAOYSA-N 0 0 432.524 3.550 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000009282805 569518744 /nfs/dbraw/zinc/51/87/44/569518744.db2.gz LOSYYXYWOXTQJA-UHFFFAOYSA-N 0 0 428.485 3.589 50 0 IHAARN CCc1cc2c(nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n(CC)c2=O)s1 ZINC000009284189 569518997 /nfs/dbraw/zinc/51/89/97/569518997.db2.gz RKQFSEHHLUTYAZ-LBPRGKRZSA-N 0 0 445.566 3.931 50 0 IHAARN CSc1ccc([C@H]2N=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287553 569519336 /nfs/dbraw/zinc/51/93/36/569519336.db2.gz HRTPXMGLCXCYKP-QFIPXVFZSA-N 0 0 444.564 3.916 50 0 IHAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(C)c2)cc1OC ZINC000009288885 569519462 /nfs/dbraw/zinc/51/94/62/569519462.db2.gz CDLXDRYVAZDSGX-UHFFFAOYSA-N 0 0 429.480 3.966 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 ZINC000009303077 569520983 /nfs/dbraw/zinc/52/09/83/569520983.db2.gz SFGCLFIUUGFHCY-AWEZNQCLSA-N 0 0 425.514 3.644 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC)cc1 ZINC000009303732 569521065 /nfs/dbraw/zinc/52/10/65/569521065.db2.gz LFMVSJJJQLUQHX-CYBMUJFWSA-N 0 0 426.498 3.822 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000009304305 569521187 /nfs/dbraw/zinc/52/11/87/569521187.db2.gz FMJOFQACCQWQII-INIZCTEOSA-N 0 0 433.508 3.952 50 0 IHAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 ZINC000009304499 569521203 /nfs/dbraw/zinc/52/12/03/569521203.db2.gz UQANRNBCJMJDFO-UHFFFAOYSA-N 0 0 433.533 3.703 50 0 IHAARN CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c1 ZINC000009305126 569521238 /nfs/dbraw/zinc/52/12/38/569521238.db2.gz INBXFHJLJITJFJ-AWEZNQCLSA-N 0 0 441.582 3.759 50 0 IHAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cc(C)ccn5)c4ncn3n2)cc1OC ZINC000009305892 569521278 /nfs/dbraw/zinc/52/12/78/569521278.db2.gz ZSKWLBBEJFQDGF-UHFFFAOYSA-N 0 0 428.496 3.996 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000009305821 569521313 /nfs/dbraw/zinc/52/13/13/569521313.db2.gz JSTRNZITZLWGJR-OAQYLSRUSA-N 0 0 428.941 3.963 50 0 IHAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1OC ZINC000009309769 569521628 /nfs/dbraw/zinc/52/16/28/569521628.db2.gz CIKPGHUYVVGOQZ-RPWUZVMVSA-N 0 0 439.475 3.903 50 0 IHAARN CCOC(=O)C1=C(COC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1cccs1 ZINC000009315797 569522199 /nfs/dbraw/zinc/52/21/99/569522199.db2.gz SIOGEHCAENITTA-HXNAPQRPSA-N 0 0 444.553 3.679 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009317190 569522354 /nfs/dbraw/zinc/52/23/54/569522354.db2.gz XZFFRJJYXOMMPA-UHFFFAOYSA-N 0 0 428.941 3.791 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F ZINC000009317912 569522415 /nfs/dbraw/zinc/52/24/15/569522415.db2.gz GNVSDWDEHAQREK-SFHVURJKSA-N 0 0 444.528 3.747 50 0 IHAARN COc1ccccc1NCC[NH2+][C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000009326576 569522711 /nfs/dbraw/zinc/52/27/11/569522711.db2.gz WJQKYOQZBFVQSZ-QFIPXVFZSA-N 0 0 449.507 3.971 50 0 IHAARN Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1nc[nH]n1 ZINC000009336612 569523466 /nfs/dbraw/zinc/52/34/66/569523466.db2.gz LHAUFGSJKXTGHW-ZDUSSCGKSA-N 0 0 442.476 3.849 50 0 IHAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009345949 569524114 /nfs/dbraw/zinc/52/41/14/569524114.db2.gz MMVLCRIUIHOPNC-XLIONFOSSA-N 0 0 435.973 3.940 50 0 IHAARN Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000041024950 569524486 /nfs/dbraw/zinc/52/44/86/569524486.db2.gz HXDSKMAMVJYSHX-IBGZPJMESA-N 0 0 439.537 3.544 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccn2)c(=O)[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000009349213 569524696 /nfs/dbraw/zinc/52/46/96/569524696.db2.gz TYABBIPDJQMNOZ-UHFFFAOYSA-N 0 0 447.307 3.541 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)C(=O)[C@H]2C)cc1 ZINC000009349525 569524744 /nfs/dbraw/zinc/52/47/44/569524744.db2.gz VIKGNFMVZQJDLN-VQIMIIECSA-N 0 0 446.463 3.716 50 0 IHAARN O=C(Cn1nnc(-c2cccc(F)c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009349538 569524771 /nfs/dbraw/zinc/52/47/71/569524771.db2.gz MBGZVYWVVIKXKY-INIZCTEOSA-N 0 0 438.513 3.980 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 ZINC000009354804 569525094 /nfs/dbraw/zinc/52/50/94/569525094.db2.gz SVROPWCZENVCJG-FCQUAONHSA-N 0 0 437.546 3.806 50 0 IHAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000069948265 569525166 /nfs/dbraw/zinc/52/51/66/569525166.db2.gz MDJVRORICJTXEV-UHFFFAOYSA-N 0 0 426.432 3.755 50 0 IHAARN Cc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c(C)nc2c1 ZINC000070004273 569527722 /nfs/dbraw/zinc/52/77/22/569527722.db2.gz NKZQMXUJVYDCBT-UHFFFAOYSA-N 0 0 443.503 3.918 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000070010740 569528079 /nfs/dbraw/zinc/52/80/79/569528079.db2.gz JBQKNBOPOYOXCD-VABKMULXSA-N 0 0 445.519 3.633 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000009382302 569528227 /nfs/dbraw/zinc/52/82/27/569528227.db2.gz YAJOLTZCEKBGKY-UHFFFAOYSA-N 0 0 435.509 3.964 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009384232 569528420 /nfs/dbraw/zinc/52/84/20/569528420.db2.gz NMKHKOZDIBWPSK-AWEZNQCLSA-N 0 0 447.520 3.584 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(Cl)cc1 ZINC000009386520 569528435 /nfs/dbraw/zinc/52/84/35/569528435.db2.gz IJEIZGPDUVTZNI-KRWDZBQOSA-N 0 0 434.945 3.911 50 0 IHAARN CCOc1ccc(Oc2ccccc2NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)cc1 ZINC000009387028 569528465 /nfs/dbraw/zinc/52/84/65/569528465.db2.gz OJRADKHBOCMCGZ-UHFFFAOYSA-N 0 0 431.448 3.520 50 0 IHAARN CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000009403229 569529458 /nfs/dbraw/zinc/52/94/58/569529458.db2.gz PPABRGYAHNIOKT-UHFFFAOYSA-N 0 0 441.532 3.653 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1OC ZINC000009404019 569529632 /nfs/dbraw/zinc/52/96/32/569529632.db2.gz SYQMNAHWKXUKOC-UHFFFAOYSA-N 0 0 429.567 3.982 50 0 IHAARN O=c1c2nccnc2nc(SCc2cccc(Cl)c2)n1Cc1ccc2c(c1)OCO2 ZINC000009405316 569529874 /nfs/dbraw/zinc/52/98/74/569529874.db2.gz QUJSFHBRLJURNK-UHFFFAOYSA-N 0 0 438.896 3.909 50 0 IHAARN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)c1cccs1 ZINC000009405448 569529934 /nfs/dbraw/zinc/52/99/34/569529934.db2.gz PGSILIXBXVIFIV-KRWDZBQOSA-N 0 0 429.567 3.719 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000009405428 569529936 /nfs/dbraw/zinc/52/99/36/569529936.db2.gz XREZXEDUXRUFRF-UHFFFAOYSA-N 0 0 429.929 3.991 50 0 IHAARN Cc1cccc(NC(=O)CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)c1 ZINC000009407403 569530237 /nfs/dbraw/zinc/53/02/37/569530237.db2.gz YYSMHURBNCIUFK-UHFFFAOYSA-N 0 0 438.532 3.646 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 ZINC000009409015 569530798 /nfs/dbraw/zinc/53/07/98/569530798.db2.gz AJNUDZYWVLHXSV-LJQANCHMSA-N 0 0 428.286 3.736 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)cc1 ZINC000009410489 569531318 /nfs/dbraw/zinc/53/13/18/569531318.db2.gz BKJYTLBTIIVTIN-UHFFFAOYSA-N 0 0 433.512 3.655 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000009414489 569532002 /nfs/dbraw/zinc/53/20/02/569532002.db2.gz CKFNCTQNTBZRJH-CXAGYDPISA-N 0 0 443.569 3.517 50 0 IHAARN Cn1c2ccccc2c(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000009415070 569532141 /nfs/dbraw/zinc/53/21/41/569532141.db2.gz VTPLYUJVGFPUOH-KRWDZBQOSA-N 0 0 433.537 3.986 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C)cc4)nn32)cc1OC ZINC000009415361 569532160 /nfs/dbraw/zinc/53/21/60/569532160.db2.gz LPJDOUCJQCNANO-UHFFFAOYSA-N 0 0 435.509 3.848 50 0 IHAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCO5)nn32)cc1 ZINC000009415276 569532163 /nfs/dbraw/zinc/53/21/63/569532163.db2.gz XFBJOVBJCUTBKN-UHFFFAOYSA-N 0 0 449.492 3.650 50 0 IHAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCCCC1)COC(C)(C)C3 ZINC000009418352 569532413 /nfs/dbraw/zinc/53/24/13/569532413.db2.gz BFKZLRBAJLOPDH-UHFFFAOYSA-N 0 0 431.558 3.749 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4ccncc4)ccc3c2=O)cc1OC ZINC000009422638 569532871 /nfs/dbraw/zinc/53/28/71/569532871.db2.gz KQFPHDOBYHRRDN-UHFFFAOYSA-N 0 0 432.432 3.890 50 0 biogenic IHAARN COc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c(C)c2c1 ZINC000009428833 569533621 /nfs/dbraw/zinc/53/36/21/569533621.db2.gz FXTLGNIDTFZMOG-UHFFFAOYSA-N 0 0 436.464 3.969 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N(C)c3ccc(C)cc3)cc2NC1=O ZINC000009430249 569533962 /nfs/dbraw/zinc/53/39/62/569533962.db2.gz HDBGDDCTGWLPQJ-SFHVURJKSA-N 0 0 432.567 3.645 50 0 IHAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009431344 569534125 /nfs/dbraw/zinc/53/41/25/569534125.db2.gz DFCVOSRMQKVGRJ-HOTGVXAUSA-N 0 0 425.934 3.533 50 0 IHAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)n2)cc1 ZINC000009431740 569534237 /nfs/dbraw/zinc/53/42/37/569534237.db2.gz XBFXRUIWWRQWEO-QGZVFWFLSA-N 0 0 426.904 3.931 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc(CCc4ccccc4)n3C)n2)cc1OC ZINC000009432013 569534356 /nfs/dbraw/zinc/53/43/56/569534356.db2.gz KTWWUULIZNKXAU-UHFFFAOYSA-N 0 0 437.525 3.960 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(Cl)c1 ZINC000009440784 569535253 /nfs/dbraw/zinc/53/52/53/569535253.db2.gz LIWUTKOAPCQXIE-LBPRGKRZSA-N 0 0 438.958 3.884 50 0 IHAARN CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009440848 569535264 /nfs/dbraw/zinc/53/52/64/569535264.db2.gz YCXFLMUXZCIFFH-AWEZNQCLSA-N 0 0 432.567 3.793 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000009441494 569535358 /nfs/dbraw/zinc/53/53/58/569535358.db2.gz LSNWWLOQYLBZKI-RUZDIDTESA-N 0 0 445.544 3.737 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(C)n3c4ccoc4cc23)c(OC)c1OC ZINC000009442722 569535600 /nfs/dbraw/zinc/53/56/00/569535600.db2.gz FWJVHPOQKKJRKO-UHFFFAOYSA-N 0 0 428.470 3.541 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(C)n3c4cc(C)oc4cc23)c(OC)c1OC ZINC000009442867 569535637 /nfs/dbraw/zinc/53/56/37/569535637.db2.gz XDEGARFSVCZBMT-UHFFFAOYSA-N 0 0 442.497 3.849 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC(c3nc4ccccc4s3)CC1)CCC2 ZINC000009448876 569536103 /nfs/dbraw/zinc/53/61/03/569536103.db2.gz JEKMZGBZRRSOHE-UHFFFAOYSA-N 0 0 440.594 3.764 50 0 IHAARN O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009449217 569536174 /nfs/dbraw/zinc/53/61/74/569536174.db2.gz IMJJRWHBRRBHDK-UHFFFAOYSA-N 0 0 438.959 3.959 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000009451934 569536487 /nfs/dbraw/zinc/53/64/87/569536487.db2.gz TYBYAPIGYJYMEO-XZKMEQPCSA-N 0 0 447.293 3.968 50 0 IHAARN Cc1c(C)c(C)c(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1C ZINC000009458197 569536786 /nfs/dbraw/zinc/53/67/86/569536786.db2.gz FQCMMKFAQJPWDO-OAQYLSRUSA-N 0 0 443.565 3.606 50 0 IHAARN O=c1c2cc(Br)ccc2ncn1Cc1cc2c(cc1Br)OCO2 ZINC000009463231 569537440 /nfs/dbraw/zinc/53/74/40/569537440.db2.gz ASPNRYRAYLTSJW-UHFFFAOYSA-N 0 0 438.075 3.699 50 0 IHAARN O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000009463711 569537521 /nfs/dbraw/zinc/53/75/21/569537521.db2.gz FPGKZVSLEPTKGJ-KRWDZBQOSA-N 0 0 425.916 3.723 50 0 IHAARN C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009465193 569537931 /nfs/dbraw/zinc/53/79/31/569537931.db2.gz MUYNGZIWWODIKB-KRWDZBQOSA-N 0 0 441.487 3.707 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)NCCc1cccs1 ZINC000009465605 569537948 /nfs/dbraw/zinc/53/79/48/569537948.db2.gz GVTOSTFGOSYWFJ-UHFFFAOYSA-N 0 0 446.569 3.689 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009468064 569538557 /nfs/dbraw/zinc/53/85/57/569538557.db2.gz IXQGWDLNQKEAQI-AEFFLSMTSA-N 0 0 442.537 3.868 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C ZINC000009469547 569538796 /nfs/dbraw/zinc/53/87/96/569538796.db2.gz JZINOBCGBPFNID-HNNXBMFYSA-N 0 0 449.573 3.568 50 0 IHAARN COc1cccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000009471419 569538974 /nfs/dbraw/zinc/53/89/74/569538974.db2.gz BULYABWVNGTZLO-HAHDFKILSA-N 0 0 444.512 3.923 50 0 IHAARN COC(=O)c1ccc2c(c1)nc1sc(Nc3ccc(Br)cc3)nn1c2=O ZINC000009473849 569539036 /nfs/dbraw/zinc/53/90/36/569539036.db2.gz UXEWGNPEMKOLDS-UHFFFAOYSA-N 0 0 431.271 3.597 50 0 IHAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009487450 569539793 /nfs/dbraw/zinc/53/97/93/569539793.db2.gz FKNCBQRGXTWTNE-GOSISDBHSA-N 0 0 445.475 3.668 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000009490050 569540089 /nfs/dbraw/zinc/54/00/89/569540089.db2.gz XTJRBIAZNMWUHK-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN CCCCn1c2nc(CSc3nc4ccccc4s3)n(CCC)c2c(=O)[nH]c1=O ZINC000009491200 569540328 /nfs/dbraw/zinc/54/03/28/569540328.db2.gz XTGSJJKSHMLQQY-UHFFFAOYSA-N 0 0 429.571 3.998 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1cccc(F)c1 ZINC000009493451 569540780 /nfs/dbraw/zinc/54/07/80/569540780.db2.gz OJJYNNJXKXZNHH-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000009493636 569540790 /nfs/dbraw/zinc/54/07/90/569540790.db2.gz XMDUSFUJKUYEHR-UHFFFAOYSA-N 0 0 436.493 3.649 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009496035 569541138 /nfs/dbraw/zinc/54/11/38/569541138.db2.gz RDVVSNQYKNHVGA-OYLFLEFRSA-N 0 0 439.943 3.863 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1 ZINC000009497089 569541250 /nfs/dbraw/zinc/54/12/50/569541250.db2.gz GXKWQHZPRTXCLA-HXUWFJFHSA-N 0 0 441.531 3.640 50 0 IHAARN CN(c1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000009506999 569541923 /nfs/dbraw/zinc/54/19/23/569541923.db2.gz JFQZMEQXXQGJOU-UHFFFAOYSA-N 0 0 437.926 3.933 50 0 IHAARN CN(CC(=O)Nc1nc(-c2cccs2)cs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009508813 569542416 /nfs/dbraw/zinc/54/24/16/569542416.db2.gz KISFGZRHQQNSLL-UHFFFAOYSA-N 0 0 427.960 3.784 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2ccccc2Br)n1N ZINC000009509150 569542526 /nfs/dbraw/zinc/54/25/26/569542526.db2.gz FCHHIWFJAMDZCK-UHFFFAOYSA-N 0 0 440.411 3.654 50 0 IHAARN O=C(COCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009513897 569543120 /nfs/dbraw/zinc/54/31/20/569543120.db2.gz SATDMZCAWDIAKL-UHFFFAOYSA-N 0 0 445.566 3.626 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009514432 569543228 /nfs/dbraw/zinc/54/32/28/569543228.db2.gz PUGPYIYBJIUNKR-UHFFFAOYSA-N 0 0 447.564 3.827 50 0 IHAARN COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 ZINC000009516211 569543463 /nfs/dbraw/zinc/54/34/63/569543463.db2.gz MRMBWUIAQIIDBW-BVAGGSTKSA-N 0 0 428.532 3.992 50 0 IHAARN CCCCc1nc(SCc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517435 569543639 /nfs/dbraw/zinc/54/36/39/569543639.db2.gz GAZLNIOUZVYWFC-UHFFFAOYSA-N 0 0 438.475 3.681 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 ZINC000009517948 569543849 /nfs/dbraw/zinc/54/38/49/569543849.db2.gz LEMSRYJEAQEVPL-HNNXBMFYSA-N 0 0 440.550 3.831 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000009532745 569545354 /nfs/dbraw/zinc/54/53/54/569545354.db2.gz AINGYXCXHNPNST-RTBURBONSA-N 0 0 434.602 3.912 50 0 IHAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c2ccccc2S1 ZINC000009532784 569545388 /nfs/dbraw/zinc/54/53/88/569545388.db2.gz PSBDUZKMSHEVEJ-FYSMJZIKSA-N 0 0 435.549 3.688 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@@H]4CCCC[C@H]4C)c(=O)c23)s1 ZINC000009536802 569545602 /nfs/dbraw/zinc/54/56/02/569545602.db2.gz LEHJJOZADQFPTE-IUODEOHRSA-N 0 0 444.582 3.899 50 0 IHAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 ZINC000009539894 569545653 /nfs/dbraw/zinc/54/56/53/569545653.db2.gz HKLIFXOQPDLZFN-DEOSSOPVSA-N 0 0 435.430 3.593 50 0 IHAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009539691 569545694 /nfs/dbraw/zinc/54/56/94/569545694.db2.gz DSKNGWXQNBDCQW-HNNXBMFYSA-N 0 0 433.961 3.514 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1O ZINC000009540011 569545736 /nfs/dbraw/zinc/54/57/36/569545736.db2.gz OWHMBGVHPVGYDJ-KRWDZBQOSA-N 0 0 445.401 3.939 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 ZINC000009540821 569545847 /nfs/dbraw/zinc/54/58/47/569545847.db2.gz 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CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(C)cc1 ZINC000009645399 569556166 /nfs/dbraw/zinc/55/61/66/569556166.db2.gz FWBBTIRWBFSDQX-UHFFFAOYSA-N 0 0 431.583 3.678 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000009646642 569556345 /nfs/dbraw/zinc/55/63/45/569556345.db2.gz CXKZLRZZVMSKMT-VWLOTQADSA-N 0 0 433.508 3.638 50 0 IHAARN O=C(NC1CCCCCC1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663317 569557173 /nfs/dbraw/zinc/55/71/73/569557173.db2.gz UUFUAERCODJJDI-HXUWFJFHSA-N 0 0 434.540 3.770 50 0 IHAARN O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009663953 569557286 /nfs/dbraw/zinc/55/72/86/569557286.db2.gz DBKKUCUXFHFHSB-CYBMUJFWSA-N 0 0 425.532 3.679 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009671283 569558477 /nfs/dbraw/zinc/55/84/77/569558477.db2.gz CXDBTONGENKVDH-UHFFFAOYSA-N 0 0 433.482 3.613 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)NC(C)(C)C3=O)n2)c2ccccc12 ZINC000009671525 569558542 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C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccco1 ZINC000009738882 569564929 /nfs/dbraw/zinc/56/49/29/569564929.db2.gz FTGRLVWKMSTDJW-HNNXBMFYSA-N 0 0 439.965 3.787 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2cc(C)ccc2C)c2ccco2)cc1 ZINC000009740575 569565114 /nfs/dbraw/zinc/56/51/14/569565114.db2.gz PMOIFVWRFQEZHE-NRFANRHFSA-N 0 0 433.551 3.698 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009741073 569565172 /nfs/dbraw/zinc/56/51/72/569565172.db2.gz RYWPCZIWHXOMTR-RDGATRHJSA-N 0 0 445.544 3.737 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000009740733 569565184 /nfs/dbraw/zinc/56/51/84/569565184.db2.gz UYHHHMSKTRGZII-UHFFFAOYSA-N 0 0 426.460 3.519 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000009742613 569565399 /nfs/dbraw/zinc/56/53/99/569565399.db2.gz WGUZXJOCJLLOQO-OAHLLOKOSA-N 0 0 448.012 3.957 50 0 IHAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])CC1 ZINC000009746648 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IHAARN C[C@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)c1c[nH]c2ccccc21 ZINC000010518751 569582718 /nfs/dbraw/zinc/58/27/18/569582718.db2.gz ZCORIIACEFTUGM-HOTGVXAUSA-N 0 0 425.558 3.902 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](NC(=O)Nc4cccc(C)c4)C3)n2)cc1F ZINC000077100808 569585504 /nfs/dbraw/zinc/58/55/04/569585504.db2.gz QWWQXNIPXPMWOE-SFHVURJKSA-N 0 0 439.491 3.979 50 0 IHAARN O=S(=O)(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000077101236 569585577 /nfs/dbraw/zinc/58/55/77/569585577.db2.gz LZOPMGJGPHTEOI-UHFFFAOYSA-N 0 0 437.846 3.688 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101275 569585608 /nfs/dbraw/zinc/58/56/08/569585608.db2.gz CITBCCROVXGJKU-UHFFFAOYSA-N 0 0 438.531 3.841 50 0 IHAARN CCn1cc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c(=O)c2ccc(C)nc21 ZINC000077177550 569585883 /nfs/dbraw/zinc/58/58/83/569585883.db2.gz UWJVLXBGTRMOKR-UHFFFAOYSA-N 0 0 449.536 3.856 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077198156 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CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000634001 193865008 /nfs/dbraw/zinc/86/50/08/193865008.db2.gz OHMZLHWSMPWXFH-UHFFFAOYSA-N 0 0 435.962 3.674 50 0 IHAARN Cn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nc2ccccc2c1=O ZINC000000643478 193868439 /nfs/dbraw/zinc/86/84/39/193868439.db2.gz GEEOUTRMGLOVQI-UHFFFAOYSA-N 0 0 444.516 3.917 50 0 IHAARN COc1ccc(CCNC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000006143394 193882813 /nfs/dbraw/zinc/88/28/13/193882813.db2.gz ISOVMLCILNKPCI-UHFFFAOYSA-N 0 0 435.307 3.509 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000054147129 193929404 /nfs/dbraw/zinc/92/94/04/193929404.db2.gz JQWHYSVKYZNDNS-UHFFFAOYSA-N 0 0 443.477 3.847 50 0 IHAARN Brc1ccc(-c2nnc3ccc(N4CCN(c5ccccc5)CC4)nn32)cc1 ZINC000001170352 532961769 /nfs/dbraw/zinc/96/17/69/532961769.db2.gz IYWTYRXXKYFSHF-UHFFFAOYSA-N 0 0 435.329 3.880 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000000623960 132227733 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CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000004121040 132270139 /nfs/dbraw/zinc/27/01/39/132270139.db2.gz DTYODYNSUABSMQ-UHFFFAOYSA-N 0 0 446.345 3.525 50 0 IHAARN CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1N1CCOCC1 ZINC000004710843 132272714 /nfs/dbraw/zinc/27/27/14/132272714.db2.gz XZVUTBUAWXTAHW-UHFFFAOYSA-N 0 0 426.513 3.841 50 0 IHAARN O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000006504671 132277560 /nfs/dbraw/zinc/27/75/60/132277560.db2.gz UNDOMHCGBQTUTD-UHFFFAOYSA-N 0 0 436.585 3.635 50 0 IHAARN CC(C)c1cc(N2CCOCC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000006869895 132279852 /nfs/dbraw/zinc/27/98/52/132279852.db2.gz XFDQTYODMUDRKJ-UHFFFAOYSA-N 0 0 426.586 3.965 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000008597456 132285506 /nfs/dbraw/zinc/28/55/06/132285506.db2.gz SMLSEBGVDRMGNK-HKBQPEDESA-N 0 0 437.565 3.556 50 0 IHAARN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000008831690 132295390 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IHAARN CCOc1ccccc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O ZINC000022768031 521535541 /nfs/dbraw/zinc/53/55/41/521535541.db2.gz QBEVDZPMUAONOB-UHFFFAOYSA-N 0 0 447.470 3.636 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(CC(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000021888621 521538598 /nfs/dbraw/zinc/53/85/98/521538598.db2.gz KNQMJMUTFVSBTO-UHFFFAOYSA-N 0 0 434.540 3.918 50 0 IHAARN CCCN(CC(=O)Nc1cc(C)c(C(=O)OCC)s1)CC(=O)Nc1ccccc1C ZINC000012872988 521549614 /nfs/dbraw/zinc/54/96/14/521549614.db2.gz ZALLRXSKVNLJES-UHFFFAOYSA-N 0 0 431.558 3.831 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ncccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000020582168 521552892 /nfs/dbraw/zinc/55/28/92/521552892.db2.gz JACCOQNXPZVXFI-UHFFFAOYSA-N 0 0 444.491 3.619 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O ZINC000023126464 521553062 /nfs/dbraw/zinc/55/30/62/521553062.db2.gz RKROBOQISMONFF-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000021600675 521565546 /nfs/dbraw/zinc/56/55/46/521565546.db2.gz WMEKLFBIOUIIAG-SFHVURJKSA-N 0 0 426.513 3.792 50 0 IHAARN CCOC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2nc(C)ccc2c1=O ZINC000020986433 521566928 /nfs/dbraw/zinc/56/69/28/521566928.db2.gz WPLVOWCJENMZGH-UHFFFAOYSA-N 0 0 433.386 3.539 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2)c1C ZINC000024575321 521578716 /nfs/dbraw/zinc/57/87/16/521578716.db2.gz WATXUQYVODQRKM-UHFFFAOYSA-N 0 0 429.480 3.855 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C ZINC000014866196 521614296 /nfs/dbraw/zinc/61/42/96/521614296.db2.gz PTZFAYBEDPHZJB-AWEZNQCLSA-N 0 0 435.933 3.773 50 0 IHAARN CCCn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000012738971 521628175 /nfs/dbraw/zinc/62/81/75/521628175.db2.gz OUAVFRZEUAMMHY-UHFFFAOYSA-N 0 0 448.633 3.858 50 0 IHAARN CCCn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012582046 521628296 /nfs/dbraw/zinc/62/82/96/521628296.db2.gz PHRNMYMBTIFNJI-UHFFFAOYSA-N 0 0 446.617 3.612 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2OC)cc1 ZINC000035769899 521686475 /nfs/dbraw/zinc/68/64/75/521686475.db2.gz KGUSGOCDOFVBJO-UHFFFAOYSA-N 0 0 429.494 3.859 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2nccs2)n1CCCc1ccccc1 ZINC000012206685 521694827 /nfs/dbraw/zinc/69/48/27/521694827.db2.gz MXWCKCHXLUVODN-QGZVFWFLSA-N 0 0 432.615 3.959 50 0 IHAARN CCCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012756640 521697157 /nfs/dbraw/zinc/69/71/57/521697157.db2.gz CWWDOYWGYCXUSN-CQSZACIVSA-N 0 0 448.928 3.874 50 0 IHAARN CCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000012652472 521701053 /nfs/dbraw/zinc/70/10/53/521701053.db2.gz ZSPNWGCIXHPEGD-AVRDEDQJSA-N 0 0 449.507 3.882 50 0 biogenic IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928158 521703440 /nfs/dbraw/zinc/70/34/40/521703440.db2.gz IUXCDPYDSFCONU-VXKWHMMOSA-N 0 0 440.540 3.928 50 0 IHAARN CCN1C[C@H](CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)Oc2ccccc21 ZINC000012543851 521729686 /nfs/dbraw/zinc/72/96/86/521729686.db2.gz OQXNJPZTSDAVEH-CSKUQDPHSA-N 0 0 442.604 3.690 50 0 IHAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C1CC1 ZINC000036042865 521739549 /nfs/dbraw/zinc/73/95/49/521739549.db2.gz OKYKSAIWAMZFNU-UHFFFAOYSA-N 0 0 438.981 3.785 50 0 IHAARN CCNC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4C)n32)CC1 ZINC000034707634 521739990 /nfs/dbraw/zinc/73/99/90/521739990.db2.gz NUMVBVBHPASFEK-UHFFFAOYSA-N 0 0 449.946 3.758 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc(NC)c(-c3nc(-c4ccccc4C)no3)c2N)c1 ZINC000023125404 521756413 /nfs/dbraw/zinc/75/64/13/521756413.db2.gz KXAIQKUXTZKBNM-UHFFFAOYSA-N 0 0 431.500 3.734 50 0 IHAARN COC(=O)c1c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)sc2c1CCCCC2 ZINC000012561800 521766665 /nfs/dbraw/zinc/76/66/65/521766665.db2.gz PDNAIAGRKMVFDZ-UHFFFAOYSA-N 0 0 429.542 3.556 50 0 IHAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000021020292 521794679 /nfs/dbraw/zinc/79/46/79/521794679.db2.gz LYAXYSYOOZURMD-UHFFFAOYSA-N 0 0 447.539 3.668 50 0 IHAARN COC(=O)c1cc(-c2csc(NC(=O)CCc3nc(-c4ccsc4)no3)n2)c[nH]1 ZINC000012908020 521797347 /nfs/dbraw/zinc/79/73/47/521797347.db2.gz HKKKSMXTAQMKQR-UHFFFAOYSA-N 0 0 429.483 3.608 50 0 IHAARN CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000012810381 521844008 /nfs/dbraw/zinc/84/40/08/521844008.db2.gz PXYJBMZMXVSLLY-GOSISDBHSA-N 0 0 445.519 3.699 50 0 IHAARN COCCn1c(C)cc(C(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C ZINC000012639537 522062472 /nfs/dbraw/zinc/06/24/72/522062472.db2.gz JYFKEVHLUAQFFS-UHFFFAOYSA-N 0 0 440.496 3.975 50 0 IHAARN COCCn1c2ncc(NC3CCCC3)cc2c(NC(=O)c2ccco2)c1C(=O)OC ZINC000014539950 522076974 /nfs/dbraw/zinc/07/69/74/522076974.db2.gz GHBARVJSSPLINU-UHFFFAOYSA-N 0 0 426.473 3.669 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4)c32)cc1 ZINC000023137531 522095493 /nfs/dbraw/zinc/09/54/93/522095493.db2.gz CXWGLTJIHFAAFH-UHFFFAOYSA-N 0 0 433.493 3.641 50 0 IHAARN COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1OC1CCN(C(C)=O)CC1 ZINC000012592247 522111981 /nfs/dbraw/zinc/11/19/81/522111981.db2.gz BMTWGGDGBKLGOV-UHFFFAOYSA-N 0 0 430.932 3.711 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058845 522141895 /nfs/dbraw/zinc/14/18/95/522141895.db2.gz FQBOZWCNYASWOP-BOLDSZDNSA-N 0 0 449.548 3.608 50 0 IHAARN CCc1nc(-c2cc(S(=O)(=O)N(CC)Cc3ccc(OC)cc3)ccc2OC)no1 ZINC000035538869 522142441 /nfs/dbraw/zinc/14/24/41/522142441.db2.gz VQBHLHUIVODTJW-UHFFFAOYSA-N 0 0 431.514 3.527 50 0 IHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)no1 ZINC000033086441 522145380 /nfs/dbraw/zinc/14/53/80/522145380.db2.gz MKDYGKVKUQPIPF-UHFFFAOYSA-N 0 0 446.960 3.772 50 0 IHAARN CC[C@@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000015827107 522166781 /nfs/dbraw/zinc/16/67/81/522166781.db2.gz XDIJYNUNTAMKOE-CQSZACIVSA-N 0 0 435.933 3.698 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(F)c(F)c2F)c1 ZINC000020717144 522229881 /nfs/dbraw/zinc/22/98/81/522229881.db2.gz MZDWBUSPGVBIRB-LJQANCHMSA-N 0 0 430.386 3.793 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)[C@H](C)n1nc(C)cc1C)C2 ZINC000011964549 522253530 /nfs/dbraw/zinc/25/35/30/522253530.db2.gz MIKPYPQTKAQQGD-AZUAARDMSA-N 0 0 447.535 3.943 50 0 IHAARN COC(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(SC)cc3s2)CC1 ZINC000035590390 522254972 /nfs/dbraw/zinc/25/49/72/522254972.db2.gz DYTALFNZEXDBDV-UHFFFAOYSA-N 0 0 427.551 3.767 50 0 IHAARN COC(=O)c1cnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 ZINC000012890329 522338265 /nfs/dbraw/zinc/33/82/65/522338265.db2.gz LCYBCQIAXLTPSZ-UHFFFAOYSA-N 0 0 448.854 3.852 50 0 IHAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)NC(C)(C)C ZINC000035949033 522452050 /nfs/dbraw/zinc/45/20/50/522452050.db2.gz FYDLYUAITGNHOR-MRXNPFEDSA-N 0 0 442.541 3.594 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000036001955 522468280 /nfs/dbraw/zinc/46/82/80/522468280.db2.gz RKCSUCSURRSNPY-UHFFFAOYSA-N 0 0 432.572 3.915 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)NCc3cc4cc(F)ccc4[nH]3)CCC(=O)N2)ccc1F ZINC000014880832 522503159 /nfs/dbraw/zinc/50/31/59/522503159.db2.gz YLCDZSRPNYNXGY-XMMPIXPASA-N 0 0 441.478 3.743 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012884530 522510950 /nfs/dbraw/zinc/51/09/50/522510950.db2.gz QZPCJVMWGJNBMR-UHFFFAOYSA-N 0 0 438.356 3.880 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc2sc3ccccc3n12 ZINC000021175796 522520338 /nfs/dbraw/zinc/52/03/38/522520338.db2.gz KDEQWDOBNXKZEP-UHFFFAOYSA-N 0 0 445.957 3.787 50 0 IHAARN CC[C@H](NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1)c1ccncc1 ZINC000012448897 522526910 /nfs/dbraw/zinc/52/69/10/522526910.db2.gz NQLNMNCAMGUZEQ-QFIPXVFZSA-N 0 0 437.540 3.751 50 0 IHAARN CC[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 ZINC000012885933 522541400 /nfs/dbraw/zinc/54/14/00/522541400.db2.gz LGAUYXODQRYONT-SFHVURJKSA-N 0 0 437.359 3.870 50 0 IHAARN COc1cc(Nc2nc(N)c(C(=O)c3ccc(OC)c(OC)c3OC)s2)cc(OC)c1 ZINC000032948062 522770401 /nfs/dbraw/zinc/77/04/01/522770401.db2.gz LRZQHOUZEIJMAQ-UHFFFAOYSA-N 0 0 445.497 3.743 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000012882518 522800085 /nfs/dbraw/zinc/80/00/85/522800085.db2.gz JQFIFJWXTWIEOZ-UHFFFAOYSA-N 0 0 431.920 3.646 50 0 IHAARN COc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000012822442 522812335 /nfs/dbraw/zinc/81/23/35/522812335.db2.gz ZAMSEKOGOICZAV-UHFFFAOYSA-N 0 0 433.313 3.513 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000012894495 522871325 /nfs/dbraw/zinc/87/13/25/522871325.db2.gz BLKACTIZOSTUCM-SFHVURJKSA-N 0 0 445.269 3.896 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000012416569 522873374 /nfs/dbraw/zinc/87/33/74/522873374.db2.gz NIXBYPLLRWVKOV-FGGAIWKESA-N 0 0 432.545 3.532 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccc(SC)cc4)C3)c12 ZINC000021533255 522921925 /nfs/dbraw/zinc/92/19/25/522921925.db2.gz KOGXFMNZPWAYFM-QGZVFWFLSA-N 0 0 439.585 3.786 50 0 IHAARN CN(CCOc1ccccc1F)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000016112840 522922517 /nfs/dbraw/zinc/92/25/17/522922517.db2.gz OOXKJFMIDVWGAK-UHFFFAOYSA-N 0 0 448.560 3.930 50 0 IHAARN CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000009667833 522925379 /nfs/dbraw/zinc/92/53/79/522925379.db2.gz VLPVHGWNBMWQGU-NSHDSACASA-N 0 0 426.449 3.918 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Cc1csc(NC(=O)c3cccs3)n1)CC2 ZINC000016053519 523028522 /nfs/dbraw/zinc/02/85/22/523028522.db2.gz YMIMSXSIMBLKSG-UHFFFAOYSA-N 0 0 443.550 3.602 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000033124768 523038563 /nfs/dbraw/zinc/03/85/63/523038563.db2.gz HKCMBZHATCEPER-QGZVFWFLSA-N 0 0 446.276 3.930 50 0 IHAARN COc1cc2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c2cc1OC ZINC000020726617 523070818 /nfs/dbraw/zinc/07/08/18/523070818.db2.gz ISJXJBOFJMDNSE-UHFFFAOYSA-N 0 0 441.793 3.725 50 0 IHAARN CCn1c(-c2ccc(Cl)cc2)nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1=S ZINC000012792307 523080575 /nfs/dbraw/zinc/08/05/75/523080575.db2.gz AWQLRURADNMYTO-KRWDZBQOSA-N 0 0 443.038 3.857 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 ZINC000011915609 523100559 /nfs/dbraw/zinc/10/05/59/523100559.db2.gz BQLXTYLYBFFJGL-UHFFFAOYSA-N 0 0 441.509 3.777 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996849 523101313 /nfs/dbraw/zinc/10/13/13/523101313.db2.gz FGDJVSZHJWYCJN-IBGZPJMESA-N 0 0 439.537 3.787 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000034694795 523104355 /nfs/dbraw/zinc/10/43/55/523104355.db2.gz PSLZKWVJOQNUKT-UHFFFAOYSA-N 0 0 433.270 3.863 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCc1nnnn1-c1ccccc1)C[C@H](C)CC3 ZINC000017654806 523106898 /nfs/dbraw/zinc/10/68/98/523106898.db2.gz MPBVACDOSROCEG-CYBMUJFWSA-N 0 0 438.582 3.871 50 0 IHAARN COC(=O)CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O ZINC000012763902 523128570 /nfs/dbraw/zinc/12/85/70/523128570.db2.gz IUIJWCOKCHHTEC-GFCCVEGCSA-N 0 0 432.448 3.601 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O ZINC000012038177 523154136 /nfs/dbraw/zinc/15/41/36/523154136.db2.gz XCQRJJQHMOWAOV-RLWLMLJZSA-N 0 0 433.552 3.768 50 0 IHAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3OC)n2)cc1OC ZINC000001157447 523170315 /nfs/dbraw/zinc/17/03/15/523170315.db2.gz DXZRMVGGHOAYRT-UHFFFAOYSA-N 0 0 429.523 3.963 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)cs2)cc1 ZINC000012391892 523196080 /nfs/dbraw/zinc/19/60/80/523196080.db2.gz ACUFTXRQEPLJEF-KRWDZBQOSA-N 0 0 433.537 3.810 50 0 IHAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012678827 523201342 /nfs/dbraw/zinc/20/13/42/523201342.db2.gz NAHGAVJRGMIOGK-MRXNPFEDSA-N 0 0 435.553 3.745 50 0 IHAARN COCc1nc2ccccc2c(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000022872677 523216393 /nfs/dbraw/zinc/21/63/93/523216393.db2.gz MRISYSLEMWJGJD-UHFFFAOYSA-N 0 0 430.468 3.557 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000014797625 523242684 /nfs/dbraw/zinc/24/26/84/523242684.db2.gz RZFVNFWPVMXWAD-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CC(=O)NCc2ccco2)cc1 ZINC000020689616 523243389 /nfs/dbraw/zinc/24/33/89/523243389.db2.gz IDZWKELFSQLSHB-UHFFFAOYSA-N 0 0 430.508 3.889 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccccc3F)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021640968 523254690 /nfs/dbraw/zinc/25/46/90/523254690.db2.gz CUPOLCNOFGNPKU-UHFFFAOYSA-N 0 0 433.487 3.929 50 0 IHAARN CCn1c2ccc(C(=O)N(C)C)cc2nc1CN(C)S(=O)(=O)c1cccc(Cl)c1C ZINC000033275879 523258905 /nfs/dbraw/zinc/25/89/05/523258905.db2.gz HOEAUSYYFLVXBU-UHFFFAOYSA-N 0 0 448.976 3.541 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)o2)c(OC)c1 ZINC000012552983 523263868 /nfs/dbraw/zinc/26/38/68/523263868.db2.gz SRUJUPKTJOJRTD-ZDUSSCGKSA-N 0 0 428.514 3.939 50 0 IHAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000021239041 523269230 /nfs/dbraw/zinc/26/92/30/523269230.db2.gz WWZBVWDBHYJLCA-UHFFFAOYSA-N 0 0 432.448 3.609 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn32)cc1OC ZINC000041108745 523269872 /nfs/dbraw/zinc/26/98/72/523269872.db2.gz KCJMESGXQXZGAQ-UHFFFAOYSA-N 0 0 439.497 3.504 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1cccc(F)c1 ZINC000012558660 523269777 /nfs/dbraw/zinc/26/97/77/523269777.db2.gz WBEPCIOHCKQMRY-AQTBWJFISA-N 0 0 449.935 3.953 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)ccc21 ZINC000015512374 523277463 /nfs/dbraw/zinc/27/74/63/523277463.db2.gz QDMLSMLOTIHNMI-UHFFFAOYSA-N 0 0 447.491 3.948 50 0 IHAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1OC ZINC000012415219 523281660 /nfs/dbraw/zinc/28/16/60/523281660.db2.gz NSLRTZULTYBKKU-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)c1=O ZINC000033169630 523285053 /nfs/dbraw/zinc/28/50/53/523285053.db2.gz RUKIREFWCZOLET-UHFFFAOYSA-N 0 0 425.920 3.860 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)c(OC)c1 ZINC000009516359 523295362 /nfs/dbraw/zinc/29/53/62/523295362.db2.gz JVWKCOBHRJFERD-UHFFFAOYSA-N 0 0 440.437 3.825 50 0 IHAARN COc1ccc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc43)n2)cc1 ZINC000012707710 523296118 /nfs/dbraw/zinc/29/61/18/523296118.db2.gz OWQRHFGFTOFENI-UHFFFAOYSA-N 0 0 449.536 3.813 50 0 IHAARN COc1ccc(-c2onc(C)c2C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000023335199 523307261 /nfs/dbraw/zinc/30/72/61/523307261.db2.gz OYGFTGRFFCZBBP-UHFFFAOYSA-N 0 0 426.469 3.957 50 0 IHAARN COc1ccc(-n2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2-n2cccc2)cc1 ZINC000022515706 523351027 /nfs/dbraw/zinc/35/10/27/523351027.db2.gz FOBUJKGYQKUBJV-UHFFFAOYSA-N 0 0 448.479 3.950 50 0 IHAARN CN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012931401 523362464 /nfs/dbraw/zinc/36/24/64/523362464.db2.gz WOKDNPINHFRRPM-UHFFFAOYSA-N 0 0 447.000 3.888 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 ZINC000021646638 523495436 /nfs/dbraw/zinc/49/54/36/523495436.db2.gz WFDUDYSQIUDPKG-LJQANCHMSA-N 0 0 443.544 3.517 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)ccc21 ZINC000021646473 523496592 /nfs/dbraw/zinc/49/65/92/523496592.db2.gz UOICPUPVTOXBSF-NRFANRHFSA-N 0 0 439.581 3.687 50 0 IHAARN COc1ccc(Br)cc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012860234 523497158 /nfs/dbraw/zinc/49/71/58/523497158.db2.gz FKZBRUQMLRWVDG-CQSZACIVSA-N 0 0 446.345 3.653 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N(C)Cc1ccc(C)o1 ZINC000012092067 523497465 /nfs/dbraw/zinc/49/74/65/523497465.db2.gz ZIDSHOOJYLOBFV-UHFFFAOYSA-N 0 0 449.960 3.739 50 0 IHAARN COCCCn1c(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)cnc1S(C)(=O)=O ZINC000020995486 523498301 /nfs/dbraw/zinc/49/83/01/523498301.db2.gz YQYFLSMMCKOPQG-JOCHJYFZSA-N 0 0 444.601 3.560 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000022844775 523507712 /nfs/dbraw/zinc/50/77/12/523507712.db2.gz XWJYZNMYLYMROB-UHFFFAOYSA-N 0 0 437.315 3.837 50 0 IHAARN CN(Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025286377 523571780 /nfs/dbraw/zinc/57/17/80/523571780.db2.gz RQKNDEQZBSIPJB-UHFFFAOYSA-N 0 0 435.534 3.582 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000012741013 523576077 /nfs/dbraw/zinc/57/60/77/523576077.db2.gz LNMQHBKBCWONCO-JOCHJYFZSA-N 0 0 440.515 3.710 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000009338599 523594025 /nfs/dbraw/zinc/59/40/25/523594025.db2.gz OKFPXKABPNHLPS-QGZVFWFLSA-N 0 0 442.566 3.583 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H]2c2nccs2)cc1OC1CCN(C(C)=O)CC1 ZINC000012458226 523643395 /nfs/dbraw/zinc/64/33/95/523643395.db2.gz MZHPZIRILINXCO-SFHVURJKSA-N 0 0 429.542 3.519 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)NC(C)C ZINC000035961769 523652767 /nfs/dbraw/zinc/65/27/67/523652767.db2.gz ILWDZFPPGGLNSU-QFIPXVFZSA-N 0 0 440.519 3.570 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000012738041 523657796 /nfs/dbraw/zinc/65/77/96/523657796.db2.gz XFDHQRVEDFMPGR-LJQANCHMSA-N 0 0 437.323 3.674 50 0 IHAARN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3nc4ccccc4n3C)CC2)c1 ZINC000020539928 523684888 /nfs/dbraw/zinc/68/48/88/523684888.db2.gz ZUTAVADPSFXHGR-UHFFFAOYSA-N 0 0 434.540 3.518 50 0 IHAARN COc1ccc(C(=O)NCCNc2nc(C)nc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000036025880 523698987 /nfs/dbraw/zinc/69/89/87/523698987.db2.gz RVEGAHPCUGNKSZ-UHFFFAOYSA-N 0 0 430.512 3.591 50 0 IHAARN COCCN(CCOC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000021999000 523714138 /nfs/dbraw/zinc/71/41/38/523714138.db2.gz CQGBPTIYIZAATF-UHFFFAOYSA-N 0 0 444.535 3.882 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NCc1ccccc1 ZINC000009668042 523714484 /nfs/dbraw/zinc/71/44/84/523714484.db2.gz WZLIEEXMCPPXTK-UHFFFAOYSA-N 0 0 444.940 3.757 50 0 IHAARN CCc1c(C)sc2nc(SCCN3CCOC3=O)n(-c3ccc(OC)cc3)c(=O)c12 ZINC000012913615 523720628 /nfs/dbraw/zinc/72/06/28/523720628.db2.gz ZBIMSLZSVPPBEG-UHFFFAOYSA-N 0 0 445.566 3.871 50 0 IHAARN CN1C2=C(C(=O)N(Cc3ccco3)C2)[C@@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000035834703 523739031 /nfs/dbraw/zinc/73/90/31/523739031.db2.gz FFVXENGAGFPEIH-HSZRJFAPSA-N 0 0 429.476 3.851 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)Oc4ccccc43)cc2)cc1 ZINC000041158123 523753796 /nfs/dbraw/zinc/75/37/96/523753796.db2.gz YHZCCSUNFQEQMI-INIZCTEOSA-N 0 0 438.505 3.924 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000014378769 523759222 /nfs/dbraw/zinc/75/92/22/523759222.db2.gz LZSOVWZFHIESLG-OAHLLOKOSA-N 0 0 430.526 3.713 50 0 IHAARN CC[C@H](C(=O)N[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607652 523787490 /nfs/dbraw/zinc/78/74/90/523787490.db2.gz LCZHATCMILARTQ-CMPLNLGQSA-N 0 0 437.388 3.762 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCc1nc2c(C)nn(-c3ccc(C)cc3)c2n(C)c1=O ZINC000015779873 523821850 /nfs/dbraw/zinc/82/18/50/523821850.db2.gz HWXMTQTWDVBBGT-UHFFFAOYSA-N 0 0 445.523 3.624 50 0 IHAARN CC[C@H](C)C(=O)Nc1c2cc(NC3CCC3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014538295 523837489 /nfs/dbraw/zinc/83/74/89/523837489.db2.gz LZJSGXBRBYGUAO-WMLDXEAASA-N 0 0 428.533 3.951 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012567738 523838067 /nfs/dbraw/zinc/83/80/67/523838067.db2.gz YGDQTLXGASMFNT-HSZRJFAPSA-N 0 0 433.508 3.734 50 0 IHAARN CCc1cc(Sc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)n2ncnc2n1 ZINC000021663165 523842517 /nfs/dbraw/zinc/84/25/17/523842517.db2.gz STQMDXXWEHEPGI-UHFFFAOYSA-N 0 0 432.922 3.987 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907239 523849384 /nfs/dbraw/zinc/84/93/84/523849384.db2.gz XKVYZNIMWPJALI-FQEVSTJZSA-N 0 0 426.538 3.675 50 0 IHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000012906258 523850780 /nfs/dbraw/zinc/85/07/80/523850780.db2.gz SQLAJOYKOMHGMG-QRWLVFNGSA-N 0 0 438.977 3.837 50 0 IHAARN CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1 ZINC000041253985 523856220 /nfs/dbraw/zinc/85/62/20/523856220.db2.gz BFECXYAXFISXOY-UHFFFAOYSA-N 0 0 440.341 3.942 50 0 IHAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000035378133 523856360 /nfs/dbraw/zinc/85/63/60/523856360.db2.gz AGXAHIYHHJTBQH-UHFFFAOYSA-N 0 0 448.342 3.871 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@H](c3ccccc3OC)C2)cc1 ZINC000035947713 523875315 /nfs/dbraw/zinc/87/53/15/523875315.db2.gz AILCWNUFWAHLTQ-QFIPXVFZSA-N 0 0 435.524 3.640 50 0 IHAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c(OC)c1 ZINC000021903705 523911195 /nfs/dbraw/zinc/91/11/95/523911195.db2.gz PDMPDSRTOXFEHV-UHFFFAOYSA-N 0 0 431.539 3.706 50 0 IHAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 ZINC000021895369 523912933 /nfs/dbraw/zinc/91/29/33/523912933.db2.gz CIKOBHAMFYXQHO-KRWDZBQOSA-N 0 0 428.554 3.726 50 0 IHAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000021895371 523913100 /nfs/dbraw/zinc/91/31/00/523913100.db2.gz CIKOBHAMFYXQHO-QGZVFWFLSA-N 0 0 428.554 3.726 50 0 IHAARN COCCNC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3o1)CCCC2 ZINC000012871541 523921941 /nfs/dbraw/zinc/92/19/41/523921941.db2.gz DETVSQGXVWHGEP-UHFFFAOYSA-N 0 0 445.566 3.875 50 0 IHAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000035405787 523922396 /nfs/dbraw/zinc/92/23/96/523922396.db2.gz RVTVCLMJLPUPFW-NRFANRHFSA-N 0 0 431.945 3.534 50 0 IHAARN CCc1ccc(CNC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563703 523938242 /nfs/dbraw/zinc/93/82/42/523938242.db2.gz VVJBXFAUTGPSSU-IBGZPJMESA-N 0 0 443.551 3.947 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(C)(=O)=O)c1)C(=O)Nc1ccccc1OC ZINC000035770505 523942277 /nfs/dbraw/zinc/94/22/77/523942277.db2.gz VERRUALODFIAIU-HNNXBMFYSA-N 0 0 436.530 3.875 50 0 IHAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC000019077690 523947718 /nfs/dbraw/zinc/94/77/18/523947718.db2.gz UKMSNLPPVPTZOB-UHFFFAOYSA-N 0 0 446.488 3.763 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)cc1 ZINC000021449835 523964947 /nfs/dbraw/zinc/96/49/47/523964947.db2.gz GORRPWYMQNHGOG-GOSISDBHSA-N 0 0 445.485 3.970 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000002982426 523969056 /nfs/dbraw/zinc/96/90/56/523969056.db2.gz RZERIIGUJQMDCO-UHFFFAOYSA-N 0 0 438.549 3.634 50 0 IHAARN CC[C@H](C)NC(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccc(C)nc21 ZINC000021655355 523977140 /nfs/dbraw/zinc/97/71/40/523977140.db2.gz VXDYZQGNLLREQJ-HNNXBMFYSA-N 0 0 431.496 3.645 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C2CC2)cc1 ZINC000023925554 523991114 /nfs/dbraw/zinc/99/11/14/523991114.db2.gz KLRNKBAIGLLDKE-UHFFFAOYSA-N 0 0 430.460 3.889 50 0 IHAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C(N)=O)CC2)cc1 ZINC000023109713 524018154 /nfs/dbraw/zinc/01/81/54/524018154.db2.gz DTYAUEZCWGLJKC-UHFFFAOYSA-N 0 0 437.565 3.640 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(O)c(OC)cc2[C@H]1C ZINC000012660542 524023978 /nfs/dbraw/zinc/02/39/78/524023978.db2.gz HZIQJWMOYLBHSV-CQSZACIVSA-N 0 0 437.496 3.535 50 0 biogenic IHAARN CN1c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2Sc2ccccc2C1=O ZINC000021653033 524032309 /nfs/dbraw/zinc/03/23/09/524032309.db2.gz QQYHBVLFDMVBMH-UHFFFAOYSA-N 0 0 431.517 3.725 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885244 524064301 /nfs/dbraw/zinc/06/43/01/524064301.db2.gz HCGFGGPKWKSLNG-IBGZPJMESA-N 0 0 446.507 3.682 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000012817438 524073908 /nfs/dbraw/zinc/07/39/08/524073908.db2.gz LDFOFDJIRRUCKM-UHFFFAOYSA-N 0 0 435.137 3.699 50 0 IHAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020444240 524106238 /nfs/dbraw/zinc/10/62/38/524106238.db2.gz QBBGLUSMALEGTL-UHFFFAOYSA-N 0 0 434.452 3.865 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3cccc(NC(=O)C4=CSCCO4)c3)CC2)c1 ZINC000021019372 524125379 /nfs/dbraw/zinc/12/53/79/524125379.db2.gz PKMHHFDXDDVHDQ-UHFFFAOYSA-N 0 0 437.565 3.809 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)CC2)c1 ZINC000015730395 524127629 /nfs/dbraw/zinc/12/76/29/524127629.db2.gz KBQPABXKODKQKD-QGZVFWFLSA-N 0 0 445.610 3.637 50 0 IHAARN COc1ccc(Cc2noc(CN3CCC([C@@H](O)c4cccs4)CC3)n2)cc1OC ZINC000012210036 524169817 /nfs/dbraw/zinc/16/98/17/524169817.db2.gz RMTCGXQUOGWYDH-JOCHJYFZSA-N 0 0 429.542 3.685 50 0 IHAARN Cc1cccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000020614783 524172619 /nfs/dbraw/zinc/17/26/19/524172619.db2.gz MGMIAEABOOBPKQ-UHFFFAOYSA-N 0 0 442.581 3.574 50 0 IHAARN COc1cccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000017197882 524187069 /nfs/dbraw/zinc/18/70/69/524187069.db2.gz SXTOFQVIWKMJNX-NPMXOYFQSA-N 0 0 439.537 3.669 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000012916129 524189755 /nfs/dbraw/zinc/18/97/55/524189755.db2.gz RPSBYVXKGJREIC-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN C[C@@H](C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1 ZINC000020996718 524204096 /nfs/dbraw/zinc/20/40/96/524204096.db2.gz BBNBBRSUFKJKII-DOTOQJQBSA-N 0 0 434.458 3.513 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC000012430214 524221870 /nfs/dbraw/zinc/22/18/70/524221870.db2.gz BAJLNNAIZCWNEP-QGZVFWFLSA-N 0 0 432.952 3.819 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947805 524230937 /nfs/dbraw/zinc/23/09/37/524230937.db2.gz KNEHTPJJFVDSIR-QFIPXVFZSA-N 0 0 447.535 3.968 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O ZINC000022767931 524232330 /nfs/dbraw/zinc/23/23/30/524232330.db2.gz WPWUYABMBLHHDB-UHFFFAOYSA-N 0 0 449.898 3.760 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21 ZINC000021532991 524242037 /nfs/dbraw/zinc/24/20/37/524242037.db2.gz LPQRUSZCOASHJI-LJQANCHMSA-N 0 0 433.556 3.543 50 0 IHAARN COc1ccc(F)c(-c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)o2)c1 ZINC000020867394 524267217 /nfs/dbraw/zinc/26/72/17/524267217.db2.gz MDWSQXXFISAAJA-UHFFFAOYSA-N 0 0 439.487 3.844 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022915421 524276015 /nfs/dbraw/zinc/27/60/15/524276015.db2.gz IODGFBHEBSPWDW-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C)c1 ZINC000012935405 524285317 /nfs/dbraw/zinc/28/53/17/524285317.db2.gz MMYSVGOZGMCWPK-RMKNXTFCSA-N 0 0 446.450 3.525 50 0 IHAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1 ZINC000015831200 524342229 /nfs/dbraw/zinc/34/22/29/524342229.db2.gz SFDKPCMCGXSAEQ-UHFFFAOYSA-N 0 0 428.491 3.675 50 0 IHAARN COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC[C@H](C)C2)C3=O)cc1 ZINC000036057475 524390178 /nfs/dbraw/zinc/39/01/78/524390178.db2.gz ZQJFOQBVAWPLRO-BXKMTCNYSA-N 0 0 437.565 3.664 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([C@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000012383202 524397151 /nfs/dbraw/zinc/39/71/51/524397151.db2.gz HIQQVVDOGSFVSV-GCHDEFQMSA-N 0 0 425.484 3.627 50 0 IHAARN COc1ccccc1CCN1Cc2cc(NC(=O)Cc3cccs3)ccc2OCC1=O ZINC000035886137 524412257 /nfs/dbraw/zinc/41/22/57/524412257.db2.gz ZDVNZUCIGDUADO-UHFFFAOYSA-N 0 0 436.533 3.902 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014603547 524420721 /nfs/dbraw/zinc/42/07/21/524420721.db2.gz WVPXWMLGVNQXOJ-UHFFFAOYSA-N 0 0 438.549 3.801 50 0 IHAARN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000041156985 524440604 /nfs/dbraw/zinc/44/06/04/524440604.db2.gz REYKZMAIGIRVBK-IBGZPJMESA-N 0 0 439.537 3.544 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000016015034 524442311 /nfs/dbraw/zinc/44/23/11/524442311.db2.gz SUQVNGXMDFZMPF-UHFFFAOYSA-N 0 0 434.517 3.972 50 0 IHAARN C[C@@H]1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2S1 ZINC000012780928 524448001 /nfs/dbraw/zinc/44/80/01/524448001.db2.gz ULLLMPBXEDXRRG-QGZVFWFLSA-N 0 0 445.610 3.801 50 0 IHAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)N3CCCCCC3)c3ccccc32)C[C@H](C)O1 ZINC000017246487 524489215 /nfs/dbraw/zinc/48/92/15/524489215.db2.gz CASIVRXRYQFOHG-OALUTQOASA-N 0 0 443.613 3.772 50 0 IHAARN COc1ccccc1CNc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)n1 ZINC000021036070 524492084 /nfs/dbraw/zinc/49/20/84/524492084.db2.gz RQVUOMRCCXHBGD-UHFFFAOYSA-N 0 0 445.567 3.985 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)CC2)o1 ZINC000020564239 524497247 /nfs/dbraw/zinc/49/72/47/524497247.db2.gz JFYDUYALCRFONZ-UHFFFAOYSA-N 0 0 444.539 3.867 50 0 IHAARN Cc1ccc(CNC(=O)CCCN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)o1 ZINC000021645810 524497391 /nfs/dbraw/zinc/49/73/91/524497391.db2.gz JYSGDOFKLBYTEO-UHFFFAOYSA-N 0 0 445.523 3.777 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1 ZINC000013006920 524525591 /nfs/dbraw/zinc/52/55/91/524525591.db2.gz GBQXUSQMTVVXPE-UHFFFAOYSA-N 0 0 442.512 3.932 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)CC1 ZINC000021002276 524543604 /nfs/dbraw/zinc/54/36/04/524543604.db2.gz MOZOSEHRNZECIE-UHFFFAOYSA-N 0 0 435.572 3.919 50 0 IHAARN Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 ZINC000021097402 524555016 /nfs/dbraw/zinc/55/50/16/524555016.db2.gz YDDJJZKONROQAT-UHFFFAOYSA-N 0 0 425.554 3.591 50 0 IHAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C ZINC000012928421 524588854 /nfs/dbraw/zinc/58/88/54/524588854.db2.gz BKBCSGZUWQWHBK-UHFFFAOYSA-N 0 0 431.920 3.627 50 0 IHAARN COc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417559 524605891 /nfs/dbraw/zinc/60/58/91/524605891.db2.gz DHGWTZBUEWDSQK-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ncccn3)CC2)cc1Cl ZINC000012848932 524610889 /nfs/dbraw/zinc/61/08/89/524610889.db2.gz BSYIHVGUTWVCFA-NRFANRHFSA-N 0 0 437.931 3.641 50 0 IHAARN Cc1ccc(COc2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(CO)cc2=O)cc1 ZINC000012231215 524631790 /nfs/dbraw/zinc/63/17/90/524631790.db2.gz QTFFWLMWDXJZDX-UHFFFAOYSA-N 0 0 446.425 3.886 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N(C)C)c3)cc2)cc1 ZINC000012608625 524634808 /nfs/dbraw/zinc/63/48/08/524634808.db2.gz XVWZULHXISZZGM-UHFFFAOYSA-N 0 0 446.507 3.700 50 0 IHAARN COc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012814876 524664238 /nfs/dbraw/zinc/66/42/38/524664238.db2.gz DUDMKPYXAUTZDA-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000014335125 524669519 /nfs/dbraw/zinc/66/95/19/524669519.db2.gz LTJRIQDFYBZYQN-SOFGYWHQSA-N 0 0 429.527 3.734 50 0 IHAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000020515115 524687664 /nfs/dbraw/zinc/68/76/64/524687664.db2.gz VFQJVYTVXJJSKX-HKBQPEDESA-N 0 0 436.577 3.995 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC(COc3ccc(C(=O)N4CCCC4)cc3)CC2)c1 ZINC000035537721 524712915 /nfs/dbraw/zinc/71/29/15/524712915.db2.gz QZYKZFBKWBLOTA-UHFFFAOYSA-N 0 0 436.552 3.927 50 0 IHAARN COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2cnn3C)cc1 ZINC000021873720 524719433 /nfs/dbraw/zinc/71/94/33/524719433.db2.gz OUVSVJPQUBOHDI-UHFFFAOYSA-N 0 0 433.491 3.581 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(C)C(=O)NC(C)C ZINC000035947346 524750383 /nfs/dbraw/zinc/75/03/83/524750383.db2.gz KPBGAHQCHFOWGU-FQEVSTJZSA-N 0 0 426.492 3.562 50 0 IHAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2CCOCC2)C3)c1 ZINC000012217839 524790972 /nfs/dbraw/zinc/79/09/72/524790972.db2.gz WWLRBYSDELGHDP-GOSISDBHSA-N 0 0 431.916 3.871 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2/C(Cl)=C\c2ccccc2)c1 ZINC000033438062 524846886 /nfs/dbraw/zinc/84/68/86/524846886.db2.gz DXTLISBQCZZRHQ-PRDNPTHXSA-N 0 0 427.888 3.878 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012549917 524864801 /nfs/dbraw/zinc/86/48/01/524864801.db2.gz MABXFTOUUZDPFQ-HNNXBMFYSA-N 0 0 437.462 3.872 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1 ZINC000011665605 524877322 /nfs/dbraw/zinc/87/73/22/524877322.db2.gz CHWNLMAJDDXWAN-OAQYLSRUSA-N 0 0 434.464 3.577 50 0 IHAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 ZINC000022294890 524885697 /nfs/dbraw/zinc/88/56/97/524885697.db2.gz NHUPRFMOZKTJOB-HOTGVXAUSA-N 0 0 440.569 3.522 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 ZINC000040131417 524902046 /nfs/dbraw/zinc/90/20/46/524902046.db2.gz FZKFGWMGYNZQLH-LBPRGKRZSA-N 0 0 429.498 3.734 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 ZINC000020608142 524904725 /nfs/dbraw/zinc/90/47/25/524904725.db2.gz VRMACXGJIJYJLK-BUXKBTBVSA-N 0 0 433.302 3.837 50 0 IHAARN Cc1cccc2c(=O)[nH]c(CN(Cc3nc4c(C)cccc4c(=O)[nH]3)[C@@H](C)C3CC3)nc12 ZINC000012736667 524922327 /nfs/dbraw/zinc/92/23/27/524922327.db2.gz LRLJDSSDJWVFBU-INIZCTEOSA-N 0 0 429.524 3.577 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3C(=O)Oc4ccc(Br)cc4[C@@H]3C(C)(C)C2=O)cc1 ZINC000012447774 524926653 /nfs/dbraw/zinc/92/66/53/524926653.db2.gz DJDXMIVSCGGMBJ-SJORKVTESA-N 0 0 428.282 3.976 50 0 IHAARN COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022820728 524956548 /nfs/dbraw/zinc/95/65/48/524956548.db2.gz HREGSVGETNXYGE-FQEVSTJZSA-N 0 0 425.573 3.842 50 0 IHAARN C[C@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C(F)F ZINC000012507204 524958728 /nfs/dbraw/zinc/95/87/28/524958728.db2.gz VPBYAMUJCMDQCG-HDDXYUSQSA-N 0 0 430.499 3.941 50 0 IHAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccnc2)cc1 ZINC000035598298 524971048 /nfs/dbraw/zinc/97/10/48/524971048.db2.gz UDYPFHSVOWZMON-JOCHJYFZSA-N 0 0 434.492 3.926 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000018183109 524999833 /nfs/dbraw/zinc/99/98/33/524999833.db2.gz RHRIWLZNSITDKR-UHFFFAOYSA-N 0 0 425.510 3.568 50 0 IHAARN Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)nn21 ZINC000033260206 525016831 /nfs/dbraw/zinc/01/68/31/525016831.db2.gz IBZYWHUMQQQESJ-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000035445896 525057857 /nfs/dbraw/zinc/05/78/57/525057857.db2.gz IULWRZIVBOCHIK-QFIPXVFZSA-N 0 0 446.551 3.575 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907963 525065195 /nfs/dbraw/zinc/06/51/95/525065195.db2.gz ATQVWSZHOFYTCV-OAQYLSRUSA-N 0 0 428.579 3.835 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1F ZINC000012912495 525071142 /nfs/dbraw/zinc/07/11/42/525071142.db2.gz UXVBTMOJXOJCJY-OAHLLOKOSA-N 0 0 448.535 3.732 50 0 IHAARN C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3F)cc2NC1=O ZINC000020510400 525078388 /nfs/dbraw/zinc/07/83/88/525078388.db2.gz KHKCSJIEALINBH-SNVBAGLBSA-N 0 0 442.921 3.714 50 0 IHAARN C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br ZINC000022436663 525081515 /nfs/dbraw/zinc/08/15/15/525081515.db2.gz CXOWREKVFBORTQ-INIZCTEOSA-N 0 0 432.362 3.842 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1F ZINC000012233184 525088034 /nfs/dbraw/zinc/08/80/34/525088034.db2.gz SHPVRGRHRFEBGU-MRXNPFEDSA-N 0 0 435.484 3.705 50 0 IHAARN Cc1ccccc1CC(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000011880763 525094945 /nfs/dbraw/zinc/09/49/45/525094945.db2.gz ZAGDDVDMYSNFJE-JOCHJYFZSA-N 0 0 435.545 3.728 50 0 IHAARN C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000012401930 525100532 /nfs/dbraw/zinc/10/05/32/525100532.db2.gz GFOXIDRKLBOEGJ-LJQANCHMSA-N 0 0 438.549 3.909 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1Cl ZINC000012415853 525100816 /nfs/dbraw/zinc/10/08/16/525100816.db2.gz AGHGZFYFGDSHMA-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN Cc1cc(NC(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000040062756 525101246 /nfs/dbraw/zinc/10/12/46/525101246.db2.gz ZCXFMUMHGVAHFW-GBXSZLQWSA-N 0 0 445.488 3.815 50 0 IHAARN C[C@@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl ZINC000012820721 525102308 /nfs/dbraw/zinc/10/23/08/525102308.db2.gz VPDJIJJQOOWXRV-MRXNPFEDSA-N 0 0 442.943 3.883 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)n(-c2ccc(F)cc2)n1 ZINC000012747127 525132000 /nfs/dbraw/zinc/13/20/00/525132000.db2.gz UGYZERTVEQRUCK-UHFFFAOYSA-N 0 0 437.519 3.754 50 0 IHAARN Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)ccc1Br ZINC000012795381 525137703 /nfs/dbraw/zinc/13/77/03/525137703.db2.gz GBJDUEMGNFCJQP-UHFFFAOYSA-N 0 0 446.345 3.752 50 0 IHAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000032976403 525190117 /nfs/dbraw/zinc/19/01/17/525190117.db2.gz DSLOEDAGVSRXCF-OTOIZHKDSA-N 0 0 433.533 3.577 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1F ZINC000012764341 525202634 /nfs/dbraw/zinc/20/26/34/525202634.db2.gz FRKDEGFTIOVUFC-ZDUSSCGKSA-N 0 0 447.351 3.750 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000021160210 525212269 /nfs/dbraw/zinc/21/22/69/525212269.db2.gz FHPFEELNYAUHBT-JOCHJYFZSA-N 0 0 432.568 3.905 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccc1Br ZINC000012639007 525216535 /nfs/dbraw/zinc/21/65/35/525216535.db2.gz FCFUKXCEVMMYSA-SFHVURJKSA-N 0 0 437.359 3.939 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br ZINC000023081007 525220280 /nfs/dbraw/zinc/22/02/80/525220280.db2.gz GGJJXUPEMSHMLK-IRXDYDNUSA-N 0 0 437.334 3.678 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br ZINC000023081013 525236735 /nfs/dbraw/zinc/23/67/35/525236735.db2.gz GGJJXUPEMSHMLK-IAGOWNOFSA-N 0 0 437.334 3.678 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012780071 525243345 /nfs/dbraw/zinc/24/33/45/525243345.db2.gz QVTKVXDCYDOJII-NRFANRHFSA-N 0 0 446.544 3.599 50 0 IHAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)cc1F ZINC000034678268 525255154 /nfs/dbraw/zinc/25/51/54/525255154.db2.gz FICDKUYZLORNOG-UHFFFAOYSA-N 0 0 426.467 3.831 50 0 IHAARN COc1ccc([C@@H]2CSCCN2C(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000020745056 525257710 /nfs/dbraw/zinc/25/77/10/525257710.db2.gz LHSMXYQONQTGDL-NRFANRHFSA-N 0 0 439.533 3.978 50 0 IHAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621464 525263697 /nfs/dbraw/zinc/26/36/97/525263697.db2.gz QIWVAKXXLGRKRW-IIBYNOLFSA-N 0 0 444.503 3.732 50 0 IHAARN COc1ccc([C@@]2(CC(=O)NC[C@H](C)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012097748 525285309 /nfs/dbraw/zinc/28/53/09/525285309.db2.gz LLQUHOVKFXQPIY-UZTOHYMASA-N 0 0 448.563 3.945 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2ccc(C(N)=O)cc2)c2c[nH]c3ccccc32)cc1 ZINC000012908402 525356370 /nfs/dbraw/zinc/35/63/70/525356370.db2.gz CWXAACTWWNNWPJ-QFIPXVFZSA-N 0 0 443.503 3.603 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000021822377 525404451 /nfs/dbraw/zinc/40/44/51/525404451.db2.gz AMEJXDXQSOKLNH-RUZDIDTESA-N 0 0 429.520 3.858 50 0 IHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C(C)C)cc1OC ZINC000035948394 525405791 /nfs/dbraw/zinc/40/57/91/525405791.db2.gz ILNFMYSDUHWANS-QGZVFWFLSA-N 0 0 429.542 3.557 50 0 IHAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1OC ZINC000024753652 525415887 /nfs/dbraw/zinc/41/58/87/525415887.db2.gz RKIJDRLLTAWSCG-OAHLLOKOSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCn2cncn2)c(F)c1 ZINC000015077287 525438877 /nfs/dbraw/zinc/43/88/77/525438877.db2.gz DSDAZGVCRYLSRP-DEOSSOPVSA-N 0 0 433.487 3.862 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)NCCNC(=O)c3ccccc3Cl)cs2)cc1 ZINC000034905198 525448223 /nfs/dbraw/zinc/44/82/23/525448223.db2.gz AFLSETXZYIVCRW-UHFFFAOYSA-N 0 0 429.929 3.844 50 0 IHAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)CCc3ccccc3)nn2c(=O)c1C ZINC000021807003 525448684 /nfs/dbraw/zinc/44/86/84/525448684.db2.gz WJVISHUNHYJECJ-UHFFFAOYSA-N 0 0 435.915 3.854 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)nc12 ZINC000041086134 525462885 /nfs/dbraw/zinc/46/28/85/525462885.db2.gz LIKDXRLPMBYEHO-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)nc12 ZINC000022473865 525462907 /nfs/dbraw/zinc/46/29/07/525462907.db2.gz ZIQGRXQIENQPAT-UHFFFAOYSA-N 0 0 436.541 3.518 50 0 IHAARN COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@@H]4C)C3)cc(=O)oc2c1 ZINC000021717430 525501284 /nfs/dbraw/zinc/50/12/84/525501284.db2.gz MBKIVMRPBMBQRT-UIVXKWKOSA-N 0 0 427.497 3.518 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O ZINC000021759508 525513784 /nfs/dbraw/zinc/51/37/84/525513784.db2.gz GDPKXWYEDZKLSX-HXPMCKFVSA-N 0 0 427.423 3.661 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000034892060 525526480 /nfs/dbraw/zinc/52/64/80/525526480.db2.gz YMOCFWYJHVOONE-DLBZAZTESA-N 0 0 444.553 3.778 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000012907746 525541863 /nfs/dbraw/zinc/54/18/63/525541863.db2.gz VPCUINFFKXXBLS-UHFFFAOYSA-N 0 0 428.485 3.541 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2cccc(F)c2)cc1 ZINC000021157042 525559500 /nfs/dbraw/zinc/55/95/00/525559500.db2.gz PEXRAWUZNIRBTO-HSZRJFAPSA-N 0 0 438.524 3.566 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914966 525574138 /nfs/dbraw/zinc/57/41/38/525574138.db2.gz BDZQOBNIKNLFOT-SECBINFHSA-N 0 0 439.267 3.900 50 0 IHAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)sc2cccc(F)c12 ZINC000012764194 525582207 /nfs/dbraw/zinc/58/22/07/525582207.db2.gz LFVSABMWDFJRPL-UHFFFAOYSA-N 0 0 429.492 3.884 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cccc(Cl)c1 ZINC000035535037 525600269 /nfs/dbraw/zinc/60/02/69/525600269.db2.gz HSCBPZHFRAXZDV-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548484 525617020 /nfs/dbraw/zinc/61/70/20/525617020.db2.gz JNMIOQXTGQOHPW-QKKBWIMNSA-N 0 0 442.468 3.794 50 0 IHAARN COc1ccc2cc(CNc3cc(S(=O)(=O)NC4CC4)ccc3OC)c(Cl)nc2c1 ZINC000023900911 525631580 /nfs/dbraw/zinc/63/15/80/525631580.db2.gz REGOWLDHPDTKKZ-UHFFFAOYSA-N 0 0 447.944 3.958 50 0 IHAARN COc1ccc2cc(COC(=O)COc3ccc4c(c3)CCC(=O)N4)c(Cl)nc2c1 ZINC000022520460 525632056 /nfs/dbraw/zinc/63/20/56/525632056.db2.gz DVZHUQKHAFBSSA-UHFFFAOYSA-N 0 0 426.856 3.904 50 0 IHAARN COc1ccc2cc([C@H](C)C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc2c1 ZINC000012934851 525639158 /nfs/dbraw/zinc/63/91/58/525639158.db2.gz BNERVIVWZDHUQL-INIZCTEOSA-N 0 0 438.549 3.792 50 0 IHAARN Cc1ccc(SCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000015560235 525650067 /nfs/dbraw/zinc/65/00/67/525650067.db2.gz WFSWZNIKYLGADW-UHFFFAOYSA-N 0 0 445.031 3.725 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccc(C)c(F)c4)c3)cc(=O)n2o1 ZINC000041089586 525669466 /nfs/dbraw/zinc/66/94/66/525669466.db2.gz KCEJMHTZPPLQPI-UHFFFAOYSA-N 0 0 449.438 3.961 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3C)cc(=O)n2o1 ZINC000041089616 525672362 /nfs/dbraw/zinc/67/23/62/525672362.db2.gz ORFXNYIUUUHHOK-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)[C@H](C)Oc4ccc(C)cc4)c3)cc(=O)n2o1 ZINC000035378590 525673824 /nfs/dbraw/zinc/67/38/24/525673824.db2.gz HTYKUOFQXNUFCJ-KRWDZBQOSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3cccc(C)c3)c(=O)c12 ZINC000032999230 525678109 /nfs/dbraw/zinc/67/81/09/525678109.db2.gz CAKUAYMIIQVWAB-UHFFFAOYSA-N 0 0 432.499 3.958 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000011917517 525716260 /nfs/dbraw/zinc/71/62/60/525716260.db2.gz ZWTLBKHYZGVUPO-LJQANCHMSA-N 0 0 428.485 3.619 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3C)n2)c1 ZINC000015670452 525718155 /nfs/dbraw/zinc/71/81/55/525718155.db2.gz NSBSTEGNZIVSOL-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000020898233 525719418 /nfs/dbraw/zinc/71/94/18/525719418.db2.gz ODXMBKFVDPIWAU-HNNXBMFYSA-N 0 0 434.514 3.680 50 0 IHAARN COc1cccc(-c2nc(COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cs2)c1OC ZINC000021716441 525724433 /nfs/dbraw/zinc/72/44/33/525724433.db2.gz GZPFTVNRZPSJOU-AWEZNQCLSA-N 0 0 430.526 3.662 50 0 IHAARN COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1OC ZINC000012415221 525736500 /nfs/dbraw/zinc/73/65/00/525736500.db2.gz RRZCAVYDLUPLPR-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)c1OC ZINC000021647871 525740410 /nfs/dbraw/zinc/74/04/10/525740410.db2.gz XZFRAZOVVHJTDJ-MRXNPFEDSA-N 0 0 443.525 3.631 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)N2CCOCC2)o1 ZINC000040132001 525761554 /nfs/dbraw/zinc/76/15/54/525761554.db2.gz SSSUXELEPPSDMZ-SIKLNZKXSA-N 0 0 435.524 3.926 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000012814508 525763976 /nfs/dbraw/zinc/76/39/76/525763976.db2.gz JRWVJVYJILEYRX-UHFFFAOYSA-N 0 0 431.739 3.718 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000015669360 525787961 /nfs/dbraw/zinc/78/79/61/525787961.db2.gz FUCOCPNYGPNJJO-UHFFFAOYSA-N 0 0 443.956 3.756 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000021809693 525794548 /nfs/dbraw/zinc/79/45/48/525794548.db2.gz XCPGMEXDGPUGCC-SBUREZEXSA-N 0 0 429.586 3.935 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)c1OC ZINC000012223882 525804976 /nfs/dbraw/zinc/80/49/76/525804976.db2.gz JSWFSOPICWVXOP-UHFFFAOYSA-N 0 0 448.523 3.865 50 0 IHAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@H](c3cccc(OC)c3)C2)c1 ZINC000036045744 525809715 /nfs/dbraw/zinc/80/97/15/525809715.db2.gz QMWWAFQBZMHCRD-DQEYMECFSA-N 0 0 444.531 3.876 50 0 IHAARN COc1cccc(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)c1OC ZINC000011982491 525822489 /nfs/dbraw/zinc/82/24/89/525822489.db2.gz KKQYDQWYHOHKDF-UHFFFAOYSA-N 0 0 441.557 3.569 50 0 IHAARN Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000012508091 525835725 /nfs/dbraw/zinc/83/57/25/525835725.db2.gz UFENJWUAZNKEIP-UHFFFAOYSA-N 0 0 427.917 3.745 50 0 IHAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3cccc(F)c3)c3nc(C)ccc3c2=O)c1 ZINC000021151483 525840360 /nfs/dbraw/zinc/84/03/60/525840360.db2.gz ASFORSUGZHRBHJ-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000012548682 525869902 /nfs/dbraw/zinc/86/99/02/525869902.db2.gz QIPKUNNSQKRPEX-OAHLLOKOSA-N 0 0 430.551 3.874 50 0 IHAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000012795158 525871303 /nfs/dbraw/zinc/87/13/03/525871303.db2.gz CEZVXQHIPPIOCI-AREMUKBSSA-N 0 0 425.488 3.972 50 0 IHAARN C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000016695575 525882181 /nfs/dbraw/zinc/88/21/81/525882181.db2.gz NFEIIICLBGHDHI-SFHVURJKSA-N 0 0 446.503 3.879 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 ZINC000012805110 525889143 /nfs/dbraw/zinc/88/91/43/525889143.db2.gz ITOZWMHTUPXCSA-OUDVYAJJSA-N 0 0 438.568 3.789 50 0 IHAARN C[C@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1 ZINC000021414992 525894376 /nfs/dbraw/zinc/89/43/76/525894376.db2.gz SIXQOAMMGWCKAE-AWEZNQCLSA-N 0 0 439.443 3.572 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2Cl)cc1 ZINC000035848205 525897379 /nfs/dbraw/zinc/89/73/79/525897379.db2.gz NDHJWBPYCVXRAK-UHFFFAOYSA-N 0 0 428.945 3.847 50 0 IHAARN COc1cccc(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1 ZINC000035475948 525901048 /nfs/dbraw/zinc/90/10/48/525901048.db2.gz FSYVYAUTEXXCSS-UHFFFAOYSA-N 0 0 427.504 3.734 50 0 biogenic IHAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000035536913 525917409 /nfs/dbraw/zinc/91/74/09/525917409.db2.gz PAAWUOHNENRQJN-LJQANCHMSA-N 0 0 439.519 3.808 50 0 IHAARN COc1cccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c1OC ZINC000022458937 525917855 /nfs/dbraw/zinc/91/78/55/525917855.db2.gz WPHRSBMBYQNLPV-UHFFFAOYSA-N 0 0 434.739 3.940 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ccc2=O)cc1 ZINC000033037888 525930610 /nfs/dbraw/zinc/93/06/10/525930610.db2.gz VNNNQZIYHBCPMK-UHFFFAOYSA-N 0 0 441.894 3.688 50 0 IHAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021860496 525930718 /nfs/dbraw/zinc/93/07/18/525930718.db2.gz OTBLIWOIUCXXHT-SANMLTNESA-N 0 0 446.551 3.909 50 0 IHAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000012701779 525931597 /nfs/dbraw/zinc/93/15/97/525931597.db2.gz YZQZGQNLRAOQLF-OAQYLSRUSA-N 0 0 428.492 3.522 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccc(C)cc1)nc2C ZINC000020563837 525935285 /nfs/dbraw/zinc/93/52/85/525935285.db2.gz KMDFBBLOFOTEEX-UHFFFAOYSA-N 0 0 443.551 3.912 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCc1ccc(Cl)cc1)nc2C ZINC000020563208 525936750 /nfs/dbraw/zinc/93/67/50/525936750.db2.gz ZSFNOKRAGZCKEV-QGZVFWFLSA-N 0 0 449.942 3.772 50 0 IHAARN Cc1ccc(C=Cc2nc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)n[nH]2)o1 ZINC000012842200 525957279 /nfs/dbraw/zinc/95/72/79/525957279.db2.gz LDEUUMTTZNIPGJ-OWNNVSBGSA-N 0 0 426.498 3.617 50 0 IHAARN Cc1ccc(/C=C/c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCOCC3)no2)cc1 ZINC000035460453 525957757 /nfs/dbraw/zinc/95/77/57/525957757.db2.gz PEMOGGYQDFRERR-RMKNXTFCSA-N 0 0 443.507 3.814 50 0 IHAARN Cc1c2ccccc2sc1C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000018816010 525991021 /nfs/dbraw/zinc/99/10/21/525991021.db2.gz IIWYATWKGICBGZ-UHFFFAOYSA-N 0 0 443.546 3.962 50 0 IHAARN Cc1c2cnn(CC(=O)NCCCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417295 525993730 /nfs/dbraw/zinc/99/37/30/525993730.db2.gz WKPGLODEIOLJGK-UHFFFAOYSA-N 0 0 446.526 3.751 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000022188518 526000681 /nfs/dbraw/zinc/00/06/81/526000681.db2.gz UQEUDCLKODQZMY-OAHLLOKOSA-N 0 0 426.517 3.720 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012601010 526012199 /nfs/dbraw/zinc/01/21/99/526012199.db2.gz GQPRVEZNWDVPBY-ZDUSSCGKSA-N 0 0 439.566 3.731 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(I)c1 ZINC000012894720 526034141 /nfs/dbraw/zinc/03/41/41/526034141.db2.gz CWPVJKQJCUYDPP-ZDUSSCGKSA-N 0 0 432.265 3.705 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)s1 ZINC000012759972 526035836 /nfs/dbraw/zinc/03/58/36/526035836.db2.gz SLMDQMCCXIJYQS-UHFFFAOYSA-N 0 0 438.553 3.722 50 0 IHAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@H]2CCCO2)c1 ZINC000035528261 526069988 /nfs/dbraw/zinc/06/99/88/526069988.db2.gz OZRSTDLTKXYWPJ-OAHLLOKOSA-N 0 0 428.539 3.586 50 0 IHAARN COc1cccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)c4ccccc4)C3)CCC(=O)N2)c1 ZINC000011882444 526075435 /nfs/dbraw/zinc/07/54/35/526075435.db2.gz FUAZVCVCKMGZRE-CUNXSJBXSA-N 0 0 448.563 3.788 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 ZINC000012863062 526112414 /nfs/dbraw/zinc/11/24/14/526112414.db2.gz JWIVKONQUQCPKL-MRXNPFEDSA-N 0 0 425.558 3.556 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cc(F)ccc3F)c2n1 ZINC000020579527 526116639 /nfs/dbraw/zinc/11/66/39/526116639.db2.gz LHQPUGJTPAJGSG-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN Cc1ccc2c(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)cc(=O)oc2c1 ZINC000020869445 526130622 /nfs/dbraw/zinc/13/06/22/526130622.db2.gz KZXMDXZAUVRUNH-UHFFFAOYSA-N 0 0 441.325 3.822 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1ccc(F)c(F)c1 ZINC000012873033 526168934 /nfs/dbraw/zinc/16/89/34/526168934.db2.gz IJCDJZZDLCLKBQ-UHFFFAOYSA-N 0 0 440.288 3.935 50 0 IHAARN Cc1ccc2c(c1)NC(SCC(=O)Nc1ccccc1C(F)(F)F)=NS2(=O)=O ZINC000021117325 526172661 /nfs/dbraw/zinc/17/26/61/526172661.db2.gz IGXBTBXZEUZXAW-UHFFFAOYSA-N 0 0 429.445 3.856 50 0 IHAARN COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1 ZINC000008396974 526173218 /nfs/dbraw/zinc/17/32/18/526173218.db2.gz COHOCQJRRZRTBD-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 ZINC000013121146 526173775 /nfs/dbraw/zinc/17/37/75/526173775.db2.gz ILRYDJZHNQKKBG-QHCPKHFHSA-N 0 0 444.487 3.860 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000017969168 526174398 /nfs/dbraw/zinc/17/43/98/526174398.db2.gz RMVKEHHZEWNQPC-UHFFFAOYSA-N 0 0 441.491 3.654 50 0 IHAARN C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012923383 526177434 /nfs/dbraw/zinc/17/74/34/526177434.db2.gz CBCJIHARBCVYJJ-CVEARBPZSA-N 0 0 436.581 3.628 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1 ZINC000020579504 526184563 /nfs/dbraw/zinc/18/45/63/526184563.db2.gz RFBGDFCJLJYFRQ-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC000012768385 526228637 /nfs/dbraw/zinc/22/86/37/526228637.db2.gz DRQFIIDGPBKBLS-QGZVFWFLSA-N 0 0 449.473 3.862 50 0 IHAARN Cc1ccc2nc(COC(=O)c3ccccc3C(=O)N(C)C3CCCCC3)cc(=O)n2c1 ZINC000022035250 526250421 /nfs/dbraw/zinc/25/04/21/526250421.db2.gz FRKZOTBTRPNJAJ-UHFFFAOYSA-N 0 0 433.508 3.765 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C(C)C)no2)c1 ZINC000036016241 526255713 /nfs/dbraw/zinc/25/57/13/526255713.db2.gz CWHOXTCXRFHNTA-HSZRJFAPSA-N 0 0 449.507 3.758 50 0 IHAARN Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(S(=O)(=O)N(C)C)c1C ZINC000012931211 526267434 /nfs/dbraw/zinc/26/74/34/526267434.db2.gz KRRAAMLSOHLXKG-UHFFFAOYSA-N 0 0 426.538 3.516 50 0 IHAARN Cc1nn(CC(=O)Nc2nnc(SCc3ccccc3F)s2)c(=O)c2ccccc12 ZINC000012791856 526268888 /nfs/dbraw/zinc/26/88/88/526268888.db2.gz ZVHNADURKHVGGU-UHFFFAOYSA-N 0 0 441.513 3.627 50 0 IHAARN Cc1nn(CC(=O)Nc2ccccc2C(C)C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012802464 526268968 /nfs/dbraw/zinc/26/89/68/526268968.db2.gz KBJMMVNPYWRLAN-UHFFFAOYSA-N 0 0 432.590 3.683 50 0 IHAARN Cc1nn(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 ZINC000012815349 526269165 /nfs/dbraw/zinc/26/91/65/526269165.db2.gz FNFWKRJPDYOUPC-UHFFFAOYSA-N 0 0 442.306 3.895 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccccc1F ZINC000035673210 526271915 /nfs/dbraw/zinc/27/19/15/526271915.db2.gz MYBUTLXUANKYKT-UHFFFAOYSA-N 0 0 441.480 3.761 50 0 IHAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908054 526274654 /nfs/dbraw/zinc/27/46/54/526274654.db2.gz PPUWCLPQXAHUJJ-QHCPKHFHSA-N 0 0 447.604 3.713 50 0 IHAARN Cc1nn2c(nc(N3CCN(Cc4cn5ccccc5n4)CC3)c3ccccc32)c1Cl ZINC000012559036 526312998 /nfs/dbraw/zinc/31/29/98/526312998.db2.gz PODLKXYMORWOHZ-UHFFFAOYSA-N 0 0 431.931 3.814 50 0 IHAARN Fc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCCCC4)s3)CC2)cc1 ZINC000020576704 526352307 /nfs/dbraw/zinc/35/23/07/526352307.db2.gz MRUFDHZOINZYKJ-UHFFFAOYSA-N 0 0 426.565 3.780 50 0 IHAARN O=C(NCCOc1ccccc1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000016009369 526365022 /nfs/dbraw/zinc/36/50/22/526365022.db2.gz DHSSFDITUSXJDR-UHFFFAOYSA-N 0 0 447.944 3.630 50 0 IHAARN O=C(NCCSCc1ccc(Br)s1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000030201488 526371473 /nfs/dbraw/zinc/37/14/73/526371473.db2.gz UAEWJBLHTZMYFH-CYBMUJFWSA-N 0 0 441.420 3.567 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1I ZINC000012925012 526376247 /nfs/dbraw/zinc/37/62/47/526376247.db2.gz WMDMBGWKAJOEFT-UHFFFAOYSA-N 0 0 447.276 3.647 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033261417 526395264 /nfs/dbraw/zinc/39/52/64/526395264.db2.gz SRZKVAAZMFOKTM-IBGZPJMESA-N 0 0 438.535 3.939 50 0 IHAARN O=C(OCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000012539663 526428001 /nfs/dbraw/zinc/42/80/01/526428001.db2.gz QOWRGWKITSOEAL-UHFFFAOYSA-N 0 0 443.569 3.604 50 0 IHAARN O=C(OCc1nc(-c2ccccc2)no1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012789071 526430681 /nfs/dbraw/zinc/43/06/81/526430681.db2.gz GODKIMFOSNAPDL-JQZCCEMDSA-N 0 0 435.524 3.987 50 0 IHAARN O=C(NCCc1cccnc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012190958 526438277 /nfs/dbraw/zinc/43/82/77/526438277.db2.gz LAXQPTFBEPSJLZ-UHFFFAOYSA-N 0 0 428.471 3.713 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000012296832 526453430 /nfs/dbraw/zinc/45/34/30/526453430.db2.gz XNAYFFAVIBCZTQ-UHFFFAOYSA-N 0 0 428.536 3.885 50 0 biogenic IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)cc(=O)n12 ZINC000021633121 526455267 /nfs/dbraw/zinc/45/52/67/526455267.db2.gz KVFITAORFYZSEX-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(I)c1 ZINC000012877570 526480013 /nfs/dbraw/zinc/48/00/13/526480013.db2.gz YYHOUOUROHBQIG-UHFFFAOYSA-N 0 0 438.290 3.759 50 0 IHAARN O=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000012800594 526487871 /nfs/dbraw/zinc/48/78/71/526487871.db2.gz BGBRXZGBYBKTHF-UHFFFAOYSA-N 0 0 429.520 3.774 50 0 IHAARN O=C(CCN1CCSC1=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000012759828 526492229 /nfs/dbraw/zinc/49/22/29/526492229.db2.gz NDTDHNSSSJVFPK-UHFFFAOYSA-N 0 0 437.565 3.651 50 0 IHAARN O=C(CCNC(=O)NC1CCCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000023354581 526500100 /nfs/dbraw/zinc/50/01/00/526500100.db2.gz XPMWJUGXOZEZQI-UHFFFAOYSA-N 0 0 430.530 3.542 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000032973852 526523330 /nfs/dbraw/zinc/52/33/30/526523330.db2.gz YKHYHBJDOOLFJH-UHFFFAOYSA-N 0 0 432.480 3.921 50 0 IHAARN O=C([C@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020996287 526539201 /nfs/dbraw/zinc/53/92/01/526539201.db2.gz UINFIMWQIXWWAV-INIZCTEOSA-N 0 0 441.988 3.910 50 0 IHAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N[C@@H](CCn1ccnc1)c1ccccc1 ZINC000012099890 526575989 /nfs/dbraw/zinc/57/59/89/526575989.db2.gz VWTYABMSCRKZEZ-XUZZJYLKSA-N 0 0 436.581 3.864 50 0 IHAARN Cc1nc(-c2cccc(N3C[C@@H](C(=O)Nc4cccc(Br)c4)CC3=O)c2)no1 ZINC000021885117 526584147 /nfs/dbraw/zinc/58/41/47/526584147.db2.gz FKBUTTBYEOXZMD-AWEZNQCLSA-N 0 0 441.285 3.799 50 0 IHAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023137351 526599667 /nfs/dbraw/zinc/59/96/67/526599667.db2.gz BJHOGTNYTWGBKL-UHFFFAOYSA-N 0 0 437.546 3.936 50 0 IHAARN O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000012452918 526605194 /nfs/dbraw/zinc/60/51/94/526605194.db2.gz DGYZWRGAEYZQIQ-AWEZNQCLSA-N 0 0 427.407 3.662 50 0 IHAARN c1nc2sc3c(c2c(Sc2nnc(N4CCOCC4)n2C2CC2)n1)CCCCC3 ZINC000012845142 526610566 /nfs/dbraw/zinc/61/05/66/526610566.db2.gz VZTVQPRLDRRQEU-UHFFFAOYSA-N 0 0 428.587 3.874 50 0 IHAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000035527013 526635626 /nfs/dbraw/zinc/63/56/26/526635626.db2.gz DJKLSMKTYYQBMI-UHFFFAOYSA-N 0 0 430.277 3.668 50 0 IHAARN 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/nfs/dbraw/zinc/42/44/57/527424457.db2.gz QTSSMGNSLFMUDJ-UHFFFAOYSA-N 0 0 444.583 3.512 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)c1ccccc1 ZINC000012507271 527452832 /nfs/dbraw/zinc/45/28/32/527452832.db2.gz GJZYUAVSUCYYLN-QHCPKHFHSA-N 0 0 441.535 3.766 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)c1ccccc1I)c1ccccc1F ZINC000012630021 527453653 /nfs/dbraw/zinc/45/36/53/527453653.db2.gz SEWHRZVZMIZXHE-INIZCTEOSA-N 0 0 435.240 3.683 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1cccc(F)c1 ZINC000012519882 527464452 /nfs/dbraw/zinc/46/44/52/527464452.db2.gz RGSDUSLVCHOFMA-MRXNPFEDSA-N 0 0 435.240 3.683 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 ZINC000012559418 527464850 /nfs/dbraw/zinc/46/48/50/527464850.db2.gz HSEUBZLDKKSFLI-MRXNPFEDSA-N 0 0 435.240 3.683 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1CCc1ccccc1 ZINC000035527753 527472738 /nfs/dbraw/zinc/47/27/38/527472738.db2.gz TVVVHPVOOVDRCG-UHFFFAOYSA-N 0 0 430.489 3.566 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000022924561 527500102 /nfs/dbraw/zinc/50/01/02/527500102.db2.gz LVORSRWZLQKISD-KRWDZBQOSA-N 0 0 435.505 3.569 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)nc(N3CCCN(C(=O)C4CC4)CC3)c12 ZINC000036030043 527524278 /nfs/dbraw/zinc/52/42/78/527524278.db2.gz BPRNLDUTAWOCEN-UHFFFAOYSA-N 0 0 430.556 3.758 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cccc(F)c1F)CC(=O)N2 ZINC000015670628 527574221 /nfs/dbraw/zinc/57/42/21/527574221.db2.gz YORXSQGSXJVHIS-HNNXBMFYSA-N 0 0 436.397 3.924 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(C)cc3)n2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015670130 527574731 /nfs/dbraw/zinc/57/47/31/527574731.db2.gz ZNOFCCOUSYJLNZ-QGZVFWFLSA-N 0 0 440.463 3.544 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012754853 527617724 /nfs/dbraw/zinc/61/77/24/527617724.db2.gz KLHVXJMNTUNHEV-FPYGCLRLSA-N 0 0 441.336 3.666 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020602534 527627896 /nfs/dbraw/zinc/62/78/96/527627896.db2.gz SDZFQVCIVMRVJK-UHFFFAOYSA-N 0 0 434.466 3.645 50 0 IHAARN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022791627 527660326 /nfs/dbraw/zinc/66/03/26/527660326.db2.gz GMWYWPYJWLHWKB-XMMPIXPASA-N 0 0 446.547 3.640 50 0 IHAARN CCCCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000009250366 535051773 /nfs/dbraw/zinc/05/17/73/535051773.db2.gz BIJICHDPSAEVEF-UHFFFAOYSA-N 0 0 437.359 3.931 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000003529741 535111544 /nfs/dbraw/zinc/11/15/44/535111544.db2.gz DCQHQCSWXHKLTA-NRFANRHFSA-N 0 0 428.916 3.617 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c43)CC2)cc1 ZINC000013038117 535391035 /nfs/dbraw/zinc/39/10/35/535391035.db2.gz VTQNXACEPUYEGI-UHFFFAOYSA-N 0 0 446.598 3.526 50 0 IHAARN CCOC(=O)C1CCN(c2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)CC1 ZINC000009224701 535605238 /nfs/dbraw/zinc/60/52/38/535605238.db2.gz BOLIVUPSQBDTFB-UHFFFAOYSA-N 0 0 443.507 3.596 50 0 IHAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000003665863 536184235 /nfs/dbraw/zinc/18/42/35/536184235.db2.gz KAVMZDRXKNWXEP-RUZDIDTESA-N 0 0 431.492 3.771 50 0 IHAARN COc1ccc(-c2csc3nc(C)nc(N4CCN(c5ncccn5)CC4)c23)cc1OC ZINC000008898585 536501031 /nfs/dbraw/zinc/50/10/31/536501031.db2.gz FMZURCNVTPYFLN-UHFFFAOYSA-N 0 0 448.552 3.801 50 0 IHAARN COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009406226 536596807 /nfs/dbraw/zinc/59/68/07/536596807.db2.gz PYOQEWYMPBPSHZ-UHFFFAOYSA-N 0 0 427.888 3.537 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000009510856 536842337 /nfs/dbraw/zinc/84/23/37/536842337.db2.gz DBAUVEXOPDBPBZ-UHFFFAOYSA-N 0 0 445.519 3.675 50 0 IHAARN COc1ccc([C@H]2[C@@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003368200 536947338 /nfs/dbraw/zinc/94/73/38/536947338.db2.gz WUUMIRJQUIKVGI-CVDCTZTESA-N 0 0 425.481 3.629 50 0 IHAARN COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000001212565 537064574 /nfs/dbraw/zinc/06/45/74/537064574.db2.gz SFHNFLCODACMLF-UHFFFAOYSA-N 0 0 439.737 3.839 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 ZINC000003314124 537067184 /nfs/dbraw/zinc/06/71/84/537067184.db2.gz AXWPNJVKXSPAJZ-UHFFFAOYSA-N 0 0 425.920 3.509 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000003188097 537067571 /nfs/dbraw/zinc/06/75/71/537067571.db2.gz MRHYRPLTDLYLAC-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN COc1cccc(NC(=O)[C@@H](CCSC)NC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000013552229 537128776 /nfs/dbraw/zinc/12/87/76/537128776.db2.gz LCHYXXAEILQZNX-QGZVFWFLSA-N 0 0 428.514 3.573 50 0 IHAARN COc1cc(CNc2ccc3c(c2)OCCO3)ccc1OCC(=O)NC1CCCCC1 ZINC000000623906 555511417 /nfs/dbraw/zinc/51/14/17/555511417.db2.gz YGKVQFIHURHCER-UHFFFAOYSA-N 0 0 426.513 3.906 50 0 IHAARN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)O[C@@H](C)CC)CCCC3)n(C)n1 ZINC000000650532 555522644 /nfs/dbraw/zinc/52/26/44/555522644.db2.gz DZXQBVOOTRLASZ-LBPRGKRZSA-N 0 0 433.530 3.745 50 0 IHAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000000654333 555524454 /nfs/dbraw/zinc/52/44/54/555524454.db2.gz NQWWUUVWTLYZFQ-UHFFFAOYSA-N 0 0 434.989 3.976 50 0 IHAARN COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000000662044 555527042 /nfs/dbraw/zinc/52/70/42/555527042.db2.gz PIPYFOAQYZLLNA-UHFFFAOYSA-N 0 0 446.569 3.656 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1 ZINC000000665995 555528590 /nfs/dbraw/zinc/52/85/90/555528590.db2.gz JSZLWQGELWALLZ-LJQANCHMSA-N 0 0 443.503 3.617 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCCCCC1 ZINC000000667221 555529264 /nfs/dbraw/zinc/52/92/64/555529264.db2.gz FAPHHDDGSQMRAS-UHFFFAOYSA-N 0 0 436.961 3.600 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000670060 555530391 /nfs/dbraw/zinc/53/03/91/555530391.db2.gz KKRMLYLCRBDMJR-JOCHJYFZSA-N 0 0 427.456 3.628 50 0 IHAARN Cc1c(CN(C)C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cnn1C ZINC000000674061 555532734 /nfs/dbraw/zinc/53/27/34/555532734.db2.gz PJWUAFNNTFUQEE-UHFFFAOYSA-N 0 0 434.447 3.791 50 0 IHAARN COc1ccc(NC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 ZINC000000675546 555534340 /nfs/dbraw/zinc/53/43/40/555534340.db2.gz RALULGVFMNPGHT-UHFFFAOYSA-N 0 0 426.279 3.735 50 0 IHAARN CSc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 ZINC000000687360 555540366 /nfs/dbraw/zinc/54/03/66/555540366.db2.gz YWHPRILJDJAMPH-UHFFFAOYSA-N 0 0 441.582 3.506 50 0 IHAARN CCOC(=O)C1C(c2ccc(OC)cc2)=NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000000687151 555540490 /nfs/dbraw/zinc/54/04/90/555540490.db2.gz JXRGGZNLTCPQGA-KRWDZBQOSA-N 0 0 431.286 3.786 50 0 IHAARN Cn1c(Sc2cnn(-c3ccccc3)c(=O)c2Br)nnc1-c1ccccc1 ZINC000000708446 555545713 /nfs/dbraw/zinc/54/57/13/555545713.db2.gz YJIXQTCUSCTWBW-UHFFFAOYSA-N 0 0 440.326 3.942 50 0 IHAARN CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000786679 555556437 /nfs/dbraw/zinc/55/64/37/555556437.db2.gz AZOJEBGLAYKTLB-UHFFFAOYSA-N 0 0 434.583 3.625 50 0 IHAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1 ZINC000000803350 555559551 /nfs/dbraw/zinc/55/95/51/555559551.db2.gz FDJCZAAMPJEUPQ-UHFFFAOYSA-N 0 0 430.551 3.822 50 0 IHAARN CCOc1c(OC)cccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2ncnn21 ZINC000000812706 555560832 /nfs/dbraw/zinc/56/08/32/555560832.db2.gz GGXUYGKSUYAIBQ-FQEVSTJZSA-N 0 0 435.484 3.622 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cc(C)cc(C)c2)cc1OC ZINC000000870071 555575025 /nfs/dbraw/zinc/57/50/25/555575025.db2.gz ILEUMGJFYYUMQU-UHFFFAOYSA-N 0 0 446.569 3.528 50 0 IHAARN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000000881870 555577654 /nfs/dbraw/zinc/57/76/54/555577654.db2.gz YSIQEQHYFLEZKN-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(OC)c2)cc1Br ZINC000000881890 555577690 /nfs/dbraw/zinc/57/76/90/555577690.db2.gz LOXCPMSLMHZHKO-UHFFFAOYSA-N 0 0 425.304 3.602 50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccncc1 ZINC000000894113 555580350 /nfs/dbraw/zinc/58/03/50/555580350.db2.gz TZFZSSGKWAPTDD-UHFFFAOYSA-N 0 0 449.454 3.612 50 0 IHAARN O=C(OCc1cn2cc(Cl)ccc2n1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000009634190 555585401 /nfs/dbraw/zinc/58/54/01/555585401.db2.gz SCXDHCHARFZRHN-ODLFYWEKSA-N 0 0 446.854 3.976 50 0 IHAARN COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1[C@@H](C(=O)OC)CC2 ZINC000000951214 555589137 /nfs/dbraw/zinc/58/91/37/555589137.db2.gz KSUOEITXJCOACK-AWEZNQCLSA-N 0 0 431.510 3.680 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1 ZINC000000982868 555593925 /nfs/dbraw/zinc/59/39/25/555593925.db2.gz JKSWRUPLPPJGJD-UHFFFAOYSA-N 0 0 436.961 3.993 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000001052629 555613588 /nfs/dbraw/zinc/61/35/88/555613588.db2.gz OXYQSKGJXKRNST-GJYPPUQNSA-N 0 0 442.821 3.843 50 0 IHAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000001063809 555617239 /nfs/dbraw/zinc/61/72/39/555617239.db2.gz MHAJFINIGATBJI-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4C)c3n2)cc1 ZINC000001068475 555619586 /nfs/dbraw/zinc/61/95/86/555619586.db2.gz VQXWVBKWRSLKRG-UHFFFAOYSA-N 0 0 440.454 3.657 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC ZINC000001068486 555619594 /nfs/dbraw/zinc/61/95/94/555619594.db2.gz HYKNHFHXGWYCIJ-UHFFFAOYSA-N 0 0 447.373 3.981 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000001099297 555628461 /nfs/dbraw/zinc/62/84/61/555628461.db2.gz MTFLSVWQOAZAKS-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000001104716 555629231 /nfs/dbraw/zinc/62/92/31/555629231.db2.gz NIJUBBMSBJLWFW-HSZRJFAPSA-N 0 0 440.609 3.877 50 0 IHAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001115461 555634197 /nfs/dbraw/zinc/63/41/97/555634197.db2.gz GXQCEXOSXALNDA-UHFFFAOYSA-N 0 0 425.466 3.676 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3OCCc4ccccc43)cc2)cc1OC ZINC000001118562 555636141 /nfs/dbraw/zinc/63/61/41/555636141.db2.gz NUGGDDVWKXSTGD-XMMPIXPASA-N 0 0 446.503 4.000 50 0 IHAARN CSc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000001119074 555636172 /nfs/dbraw/zinc/63/61/72/555636172.db2.gz CICOJQZPHMNPIP-UHFFFAOYSA-N 0 0 429.361 3.576 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(N4CCCC4)cc3)cc2oc1=O ZINC000001119838 555637008 /nfs/dbraw/zinc/63/70/08/555637008.db2.gz ZKFPZVNRPUPZRR-UHFFFAOYSA-N 0 0 435.476 3.679 50 0 IHAARN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)ccc1Cl ZINC000001120080 555637379 /nfs/dbraw/zinc/63/73/79/555637379.db2.gz ZUHNZAJLBKLAPT-UHFFFAOYSA-N 0 0 434.695 3.699 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(N4CCCC4)cc3)c(C)c2oc1=O ZINC000001121373 555638236 /nfs/dbraw/zinc/63/82/36/555638236.db2.gz HBQZTKPRATUOCU-UHFFFAOYSA-N 0 0 449.503 3.987 50 0 IHAARN COc1ccccc1C(=O)Oc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000001122994 555638754 /nfs/dbraw/zinc/63/87/54/555638754.db2.gz BSIYBMSUYCYQDY-KRWDZBQOSA-N 0 0 430.460 3.906 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1 ZINC000001127267 555641659 /nfs/dbraw/zinc/64/16/59/555641659.db2.gz HKTACVWDURKGBS-UHFFFAOYSA-N 0 0 427.482 3.783 50 0 IHAARN COc1cc2c(cc1C=C1SC(=O)N(CC(=O)c3ccc(Cl)cc3)C1=O)OCO2 ZINC000001127331 555641965 /nfs/dbraw/zinc/64/19/65/555641965.db2.gz QGBTVHMHIMMSFY-WSVATBPTSA-N 0 0 431.853 3.997 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C ZINC000001130733 555644157 /nfs/dbraw/zinc/64/41/57/555644157.db2.gz GKJLDBDBOSBTLG-UHFFFAOYSA-N 0 0 447.923 3.577 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000001130820 555644537 /nfs/dbraw/zinc/64/45/37/555644537.db2.gz LRIGNHZVDXNZRA-UHFFFAOYSA-N 0 0 425.348 3.661 50 0 IHAARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001135279 555646850 /nfs/dbraw/zinc/64/68/50/555646850.db2.gz ZIZTUPJRWMIWEX-UHFFFAOYSA-N 0 0 426.888 3.964 50 0 IHAARN COc1ccccc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000001143657 555651730 /nfs/dbraw/zinc/65/17/30/555651730.db2.gz NSXBTNVFUUGORQ-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 ZINC000001143668 555651805 /nfs/dbraw/zinc/65/18/05/555651805.db2.gz XTIQYNKQHRWSQJ-UHFFFAOYSA-N 0 0 443.883 3.767 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 ZINC000001145539 555652998 /nfs/dbraw/zinc/65/29/98/555652998.db2.gz BDWKCOGVWYKYPG-AWEZNQCLSA-N 0 0 443.960 3.999 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)c1 ZINC000001145526 555653039 /nfs/dbraw/zinc/65/30/39/555653039.db2.gz IUQNHMBRAPEPQA-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(C)cc2)n1C ZINC000001145727 555653269 /nfs/dbraw/zinc/65/32/69/555653269.db2.gz YZNHBZMDBXMYDA-INIZCTEOSA-N 0 0 437.569 3.908 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001161412 555662100 /nfs/dbraw/zinc/66/21/00/555662100.db2.gz LGIMCBFURJHBGV-ZDUSSCGKSA-N 0 0 430.448 3.897 50 0 IHAARN COc1ccc(CCNC(=O)COc2cc(C(=O)c3ccccc3)ccc2OC)cc1OC ZINC000001165431 555663830 /nfs/dbraw/zinc/66/38/30/555663830.db2.gz BSESNTIIQUHADI-UHFFFAOYSA-N 0 0 449.503 3.681 50 0 IHAARN Cc1cc(O)c(NC(=S)NC(=O)c2cccc(I)c2)cc1C ZINC000001183276 555672818 /nfs/dbraw/zinc/67/28/18/555672818.db2.gz JFYOGRUUBLRGBI-UHFFFAOYSA-N 0 0 426.279 3.740 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000001198020 555677639 /nfs/dbraw/zinc/67/76/39/555677639.db2.gz RTYLLNWZHOYDMD-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001198656 555677956 /nfs/dbraw/zinc/67/79/56/555677956.db2.gz WQLQFXZJQOKMGZ-UHFFFAOYSA-N 0 0 426.513 3.954 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Br)c1 ZINC000001200389 555678234 /nfs/dbraw/zinc/67/82/34/555678234.db2.gz CRWTYXLQYVTTOM-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000001203385 555679352 /nfs/dbraw/zinc/67/93/52/555679352.db2.gz KEKZYNLHUHYIHL-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001203255 555679408 /nfs/dbraw/zinc/67/94/08/555679408.db2.gz FNYKJBXEPQOQQW-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000001210008 555681823 /nfs/dbraw/zinc/68/18/23/555681823.db2.gz JKDDIYKULQMYQT-UHFFFAOYSA-N 0 0 434.452 3.707 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000001212523 555682459 /nfs/dbraw/zinc/68/24/59/555682459.db2.gz MWPALAGUKZXTMS-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cc(Br)c(Br)o1)C(=O)N2 ZINC000001320295 555689990 /nfs/dbraw/zinc/68/99/90/555689990.db2.gz AVTGTCCYKWIZBA-HNNXBMFYSA-N 0 0 429.064 3.526 50 0 IHAARN CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccccc4)C3)sc2c1 ZINC000001427120 555696106 /nfs/dbraw/zinc/69/61/06/555696106.db2.gz AJEHDEJYFDSPBJ-UHFFFAOYSA-N 0 0 427.551 3.729 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000001438276 555697194 /nfs/dbraw/zinc/69/71/94/555697194.db2.gz SSHYEJWESWPPCB-UHFFFAOYSA-N 0 0 444.509 3.840 50 0 IHAARN Cc1c(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001446737 555699207 /nfs/dbraw/zinc/69/92/07/555699207.db2.gz SCTIVKURCNWVKD-OAHLLOKOSA-N 0 0 433.767 3.755 50 0 IHAARN O=C(Nc1ccc(F)cc1F)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1 ZINC000001741733 555711854 /nfs/dbraw/zinc/71/18/54/555711854.db2.gz PGTXQKPOGRUGLO-UHFFFAOYSA-N 0 0 435.496 3.814 50 0 IHAARN COc1cc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc(OC)c1OC ZINC000001810304 555717815 /nfs/dbraw/zinc/71/78/15/555717815.db2.gz SSDBUINITVGNHZ-UHFFFAOYSA-N 0 0 437.448 3.656 50 0 biogenic IHAARN COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002170031 555751820 /nfs/dbraw/zinc/75/18/20/555751820.db2.gz RXRMWXJAOPPDFZ-UHFFFAOYSA-N 0 0 432.586 3.996 50 0 IHAARN Cc1nn2c(CN(c3ccccc3)S(=O)(=O)c3ccccc3)nnc2c2ccccc12 ZINC000002223483 555759603 /nfs/dbraw/zinc/75/96/03/555759603.db2.gz VTSIEPKEMYNURL-UHFFFAOYSA-N 0 0 429.505 3.981 50 0 IHAARN COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc(OC)c1 ZINC000002409394 555776773 /nfs/dbraw/zinc/77/67/73/555776773.db2.gz GWQIWMOKFMTYJN-UHFFFAOYSA-N 0 0 440.481 3.927 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OC ZINC000002502912 555784577 /nfs/dbraw/zinc/78/45/77/555784577.db2.gz ZWPLEMVRLDGJTJ-FQEVSTJZSA-N 0 0 432.542 3.943 50 0 IHAARN COc1ccccc1CN1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034678191 555796788 /nfs/dbraw/zinc/79/67/88/555796788.db2.gz AMGPWSINECAFCC-UHFFFAOYSA-N 0 0 438.503 3.701 50 0 IHAARN CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(O)n2)cc1 ZINC000002699256 555800048 /nfs/dbraw/zinc/80/00/48/555800048.db2.gz PHRMORKJVKXWKC-UHFFFAOYSA-N 0 0 443.550 3.617 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(-c2ccccc2C)c1=O ZINC000034693900 555808616 /nfs/dbraw/zinc/80/86/16/555808616.db2.gz MEJKPDSGPGHTNT-UHFFFAOYSA-N 0 0 428.414 3.744 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2Cl)c1=O ZINC000034694093 555809235 /nfs/dbraw/zinc/80/92/35/555809235.db2.gz SVPPOZRIMKYBRY-UHFFFAOYSA-N 0 0 444.869 3.985 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000002768612 555814523 /nfs/dbraw/zinc/81/45/23/555814523.db2.gz JLJSQOOGTYVSOA-UHFFFAOYSA-N 0 0 425.443 3.793 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(C(=O)N[C@H](C)c4ccccc4)cs3)CC2)c1 ZINC000034685452 555821102 /nfs/dbraw/zinc/82/11/02/555821102.db2.gz MKIKLXYFXKDREO-GOSISDBHSA-N 0 0 436.581 3.965 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)C[C@@H]1C ZINC000034707114 555821868 /nfs/dbraw/zinc/82/18/68/555821868.db2.gz DIZGEBZTPSEBMO-INIZCTEOSA-N 0 0 432.503 3.777 50 0 IHAARN CCNC(=O)N1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC1 ZINC000034707600 555822204 /nfs/dbraw/zinc/82/22/04/555822204.db2.gz HRLJFPLYCKYWAQ-UHFFFAOYSA-N 0 0 441.948 3.511 50 0 IHAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Cl)c1OS(C)(=O)=O ZINC000002813470 555828146 /nfs/dbraw/zinc/82/81/46/555828146.db2.gz DNEHRMRYPPZQFG-UHFFFAOYSA-N 0 0 440.930 3.531 50 0 IHAARN C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CCN1C(=O)C1CC1 ZINC000034700159 555838979 /nfs/dbraw/zinc/83/89/79/555838979.db2.gz OWDGLJAWWBYYNW-ZDUSSCGKSA-N 0 0 436.903 3.638 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000002850897 555839266 /nfs/dbraw/zinc/83/92/66/555839266.db2.gz UGRXGYRRHAHACN-HNNXBMFYSA-N 0 0 427.353 3.711 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1Cl ZINC000002861058 555844432 /nfs/dbraw/zinc/84/44/32/555844432.db2.gz ONJYAKLCWDOGTO-UHFFFAOYSA-N 0 0 440.993 3.756 50 0 IHAARN C[C@@H](Sc1n[nH]c(=O)n1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000002863233 555846094 /nfs/dbraw/zinc/84/60/94/555846094.db2.gz DRHNEDCOYPDCHW-QGZVFWFLSA-N 0 0 430.533 3.947 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2CC)cc1 ZINC000002879270 555853833 /nfs/dbraw/zinc/85/38/33/555853833.db2.gz LQOJLIFRNVRKBD-UHFFFAOYSA-N 0 0 426.498 3.578 50 0 IHAARN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1Cl ZINC000002882849 555856231 /nfs/dbraw/zinc/85/62/31/555856231.db2.gz OTFNZNBZGRZIBA-CQSZACIVSA-N 0 0 438.933 3.537 50 0 IHAARN COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1Cl ZINC000002882848 555856277 /nfs/dbraw/zinc/85/62/77/555856277.db2.gz OTFNZNBZGRZIBA-AWEZNQCLSA-N 0 0 438.933 3.537 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010544561 555863140 /nfs/dbraw/zinc/86/31/40/555863140.db2.gz QHQUDJNFWWHEBM-SFHVURJKSA-N 0 0 440.569 3.613 50 0 IHAARN C[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000002938657 555864809 /nfs/dbraw/zinc/86/48/09/555864809.db2.gz NFHOHLNIFUOFOK-OAHLLOKOSA-N 0 0 426.991 3.544 50 0 IHAARN O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)N1CCCCC1 ZINC000002998281 555876983 /nfs/dbraw/zinc/87/69/83/555876983.db2.gz NESJGCXLTKUFMO-UHFFFAOYSA-N 0 0 441.376 3.658 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000003024316 555881705 /nfs/dbraw/zinc/88/17/05/555881705.db2.gz YKYDFNOAHBWKOF-UHFFFAOYSA-N 0 0 447.285 3.552 50 0 IHAARN O=C(OCCSCCS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003083027 555884752 /nfs/dbraw/zinc/88/47/52/555884752.db2.gz QGYONDLXCYWFGW-UHFFFAOYSA-N 0 0 426.170 3.760 50 0 IHAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000010548858 555889642 /nfs/dbraw/zinc/88/96/42/555889642.db2.gz LWEMJTPMXQYNOS-UHFFFAOYSA-N 0 0 429.567 3.719 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3Cl)c(N)c2NC(=O)N2CCOCC2)cc1 ZINC000034785909 555896618 /nfs/dbraw/zinc/89/66/18/555896618.db2.gz ZTKPWXTVYQWELJ-UHFFFAOYSA-N 0 0 427.892 3.648 50 0 IHAARN CC1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)NCc2ccccc2)CC3)CC1 ZINC000034756562 555901742 /nfs/dbraw/zinc/90/17/42/555901742.db2.gz URWJEAKKEVAGCD-UHFFFAOYSA-N 0 0 448.615 3.971 50 0 IHAARN C[C@H](NC(=O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O)c1ccccc1 ZINC000034811284 555909038 /nfs/dbraw/zinc/90/90/38/555909038.db2.gz WNVZFERRLGYQMG-AWEZNQCLSA-N 0 0 426.879 3.823 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)CCCCC2 ZINC000003267764 555911333 /nfs/dbraw/zinc/91/13/33/555911333.db2.gz HAAXXNDDYAGXFW-UHFFFAOYSA-N 0 0 443.554 3.510 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cccc(C)c2)C3)CC1 ZINC000034898633 555928356 /nfs/dbraw/zinc/92/83/56/555928356.db2.gz JNXLDYYIXARSLB-NRFANRHFSA-N 0 0 430.552 3.893 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670141 555945344 /nfs/dbraw/zinc/94/53/44/555945344.db2.gz CXGDXBIYYKWDAP-QFIPXVFZSA-N 0 0 425.847 3.993 50 0 IHAARN Cc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 ZINC000004176597 555973368 /nfs/dbraw/zinc/97/33/68/555973368.db2.gz CVORZBVPCNFWPC-SFHVURJKSA-N 0 0 425.945 3.928 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)no2)c1 ZINC000004176510 555973411 /nfs/dbraw/zinc/97/34/11/555973411.db2.gz NCHFCLWWJAAMMQ-NSHDSACASA-N 0 0 441.509 3.896 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)c1 ZINC000004178421 555974216 /nfs/dbraw/zinc/97/42/16/555974216.db2.gz GAEPJJNTDQBPND-TXKCWOHGSA-N 0 0 429.472 3.655 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004199662 555975597 /nfs/dbraw/zinc/97/55/97/555975597.db2.gz XBHJAHLNBMXZEM-XMMPIXPASA-N 0 0 440.609 3.710 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004594153 556003544 /nfs/dbraw/zinc/00/35/44/556003544.db2.gz NTQWYCFNPRBDKI-JOCHJYFZSA-N 0 0 425.504 3.823 50 0 IHAARN COC(=O)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000004730314 556008495 /nfs/dbraw/zinc/00/84/95/556008495.db2.gz AZEPAMOXAPZAQY-UHFFFAOYSA-N 0 0 426.509 3.706 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000006076640 556074839 /nfs/dbraw/zinc/07/48/39/556074839.db2.gz BOSYZTKWXLWSQJ-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000006237793 556081577 /nfs/dbraw/zinc/08/15/77/556081577.db2.gz FQKKRMLEYKXHRJ-QDUHJBTASA-N 0 0 446.572 3.706 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000006245154 556082195 /nfs/dbraw/zinc/08/21/95/556082195.db2.gz GGXQRACLEHLKEV-JOCHJYFZSA-N 0 0 444.491 3.765 50 0 IHAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@H](NC(=O)c2ccccc2OC)C1 ZINC000022660582 556095128 /nfs/dbraw/zinc/09/51/28/556095128.db2.gz MYZGNJUAFVUAIP-QQMNAOGKSA-N 0 0 439.508 3.734 50 0 IHAARN C[C@H](OC(=O)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018594872 556108058 /nfs/dbraw/zinc/10/80/58/556108058.db2.gz GZMZVHKPDWAOEE-NSHDSACASA-N 0 0 431.370 3.717 50 0 IHAARN O=C1N/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccc(Br)cc1 ZINC000006975221 556112292 /nfs/dbraw/zinc/11/22/92/556112292.db2.gz RAHFQBZJDVSYMF-LHHJGKSTSA-N 0 0 435.661 3.924 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@H]2CCCO2)c1C ZINC000018596570 556114511 /nfs/dbraw/zinc/11/45/11/556114511.db2.gz PYLCSIFIFKWVBA-DLBZAZTESA-N 0 0 442.585 3.923 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O ZINC000002634822 556115369 /nfs/dbraw/zinc/11/53/69/556115369.db2.gz PUYISHVVZCTYLA-UHFFFAOYSA-N 0 0 427.526 3.563 50 0 IHAARN CC[C@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000010587241 556116549 /nfs/dbraw/zinc/11/65/49/556116549.db2.gz QBEZEKRFJBQBKE-ZWKOTPCHSA-N 0 0 437.540 3.801 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1 ZINC000002694832 556121121 /nfs/dbraw/zinc/12/11/21/556121121.db2.gz NFZGGSKRHABJNQ-UHFFFAOYSA-N 0 0 441.534 3.717 50 0 IHAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1cccc(F)c1)CCS2 ZINC000002719827 556125917 /nfs/dbraw/zinc/12/59/17/556125917.db2.gz MYBMEGBKVSMEKE-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC2CCCCC2)CCS3)cc1 ZINC000002719889 556126198 /nfs/dbraw/zinc/12/61/98/556126198.db2.gz YALKTXQWQYCGLT-UHFFFAOYSA-N 0 0 445.610 3.820 50 0 IHAARN O=C(CSCC(=O)N1CCCC1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002723369 556128528 /nfs/dbraw/zinc/12/85/28/556128528.db2.gz IQWFGLURLBDICK-UHFFFAOYSA-N 0 0 440.388 3.867 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002723442 556128816 /nfs/dbraw/zinc/12/88/16/556128816.db2.gz TZYRFEKYKOAXTF-UHFFFAOYSA-N 0 0 432.477 3.549 50 0 IHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000002753861 556137178 /nfs/dbraw/zinc/13/71/78/556137178.db2.gz XOEZGAXDDMLUHT-HUUCEWRRSA-N 0 0 439.339 3.851 50 0 IHAARN Cc1ccc(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)C(=O)N2CC(C)C)c(C)c1 ZINC000002786062 556138650 /nfs/dbraw/zinc/13/86/50/556138650.db2.gz HCQGSIACNAXCOQ-DJKKODMXSA-N 0 0 425.558 3.604 50 0 IHAARN Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000002802188 556142448 /nfs/dbraw/zinc/14/24/48/556142448.db2.gz XVOQXXMGHMABCZ-UHFFFAOYSA-N 0 0 425.844 3.919 50 0 IHAARN FC(F)(F)c1cc(C2CC2)n(CC2N=NC(=S)N2c2cnn(Cc3ccccc3)c2)n1 ZINC000002808681 556146615 /nfs/dbraw/zinc/14/66/15/556146615.db2.gz QWLYODFTVPCRGM-UHFFFAOYSA-N 0 0 445.474 3.942 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1cc(Cl)ccc1Cl ZINC000003009296 556155171 /nfs/dbraw/zinc/15/51/71/556155171.db2.gz ZKVFHWPOEAMRNM-UHFFFAOYSA-N 0 0 440.283 3.999 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008398743 556165107 /nfs/dbraw/zinc/16/51/07/556165107.db2.gz CFGHFDUJLFODEN-RMQZRZGQSA-N 0 0 444.556 3.772 50 0 IHAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@H](CO)C5)C4=O)cc3)sc2c1 ZINC000008414672 556167385 /nfs/dbraw/zinc/16/73/85/556167385.db2.gz ARPPWDFZLBIMCX-OXJNMPFZSA-N 0 0 435.549 3.608 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C ZINC000008449900 556181024 /nfs/dbraw/zinc/18/10/24/556181024.db2.gz HQIUIXICPTTWCQ-YDLSIGKMSA-N 0 0 431.488 3.879 50 0 IHAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1C ZINC000008586904 556188235 /nfs/dbraw/zinc/18/82/35/556188235.db2.gz XQBOSCGHIFNWHO-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Cc1ccc2[nH]c3c(cnn(CC(=O)Nc4ccc(Br)cc4C)c3=O)c2c1 ZINC000008595410 556190293 /nfs/dbraw/zinc/19/02/93/556190293.db2.gz SHUGALUHWWDDAI-UHFFFAOYSA-N 0 0 425.286 3.896 50 0 IHAARN CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000008620786 556193216 /nfs/dbraw/zinc/19/32/16/556193216.db2.gz YKXOWGMGGQRBQS-FOWTUZBSSA-N 0 0 447.491 3.953 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000008744684 556208485 /nfs/dbraw/zinc/20/84/85/556208485.db2.gz TVZQMBGULKMUJT-UHFFFAOYSA-N 0 0 427.460 3.695 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nc(-c2cccs2)no1 ZINC000008744627 556208525 /nfs/dbraw/zinc/20/85/25/556208525.db2.gz SDUGKKSWGIKXFL-UHFFFAOYSA-N 0 0 434.543 3.593 50 0 IHAARN NC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)c(F)c1 ZINC000010606269 556212310 /nfs/dbraw/zinc/21/23/10/556212310.db2.gz PBKOUDNLKBAUEN-UHFFFAOYSA-N 0 0 445.491 3.695 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009045937 556242765 /nfs/dbraw/zinc/24/27/65/556242765.db2.gz VLOBXWLJXQEEEV-LJQANCHMSA-N 0 0 443.496 3.924 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1Cl ZINC000009057213 556243558 /nfs/dbraw/zinc/24/35/58/556243558.db2.gz BDVGVAKZMTYVFV-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN COc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000009058574 556243620 /nfs/dbraw/zinc/24/36/20/556243620.db2.gz WCLXRYKKAYWDDW-HNNXBMFYSA-N 0 0 434.315 3.896 50 0 IHAARN COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)c1 ZINC000009095624 556246731 /nfs/dbraw/zinc/24/67/31/556246731.db2.gz MBNIWDKJYWMIEC-AWEZNQCLSA-N 0 0 430.530 3.595 50 0 IHAARN CCOc1ccc2nc(COC(=O)c3ccccc3Br)c(C(C)=O)[n+]([O-])c2c1 ZINC000009109162 556247480 /nfs/dbraw/zinc/24/74/80/556247480.db2.gz BRIOWOJRVYTGOC-UHFFFAOYSA-N 0 0 445.269 3.589 50 0 IHAARN CC[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 ZINC000009147070 556249465 /nfs/dbraw/zinc/24/94/65/556249465.db2.gz TYCHZHWWAVBJNQ-MRXNPFEDSA-N 0 0 437.554 3.999 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000009192498 556254018 /nfs/dbraw/zinc/25/40/18/556254018.db2.gz WOKWIWODKBUIHA-UHFFFAOYSA-N 0 0 429.933 3.693 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009197483 556255612 /nfs/dbraw/zinc/25/56/12/556255612.db2.gz UDRVOIRHPWJGGO-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009197749 556255873 /nfs/dbraw/zinc/25/58/73/556255873.db2.gz XQWCPPHNTSRZGD-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c(OC)c1 ZINC000009197991 556256227 /nfs/dbraw/zinc/25/62/27/556256227.db2.gz IVWLGBYBFVKFKP-CQSZACIVSA-N 0 0 438.509 3.637 50 0 IHAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199061 556256764 /nfs/dbraw/zinc/25/67/64/556256764.db2.gz ICJQJHFJHZYISD-QGZVFWFLSA-N 0 0 427.907 3.710 50 0 IHAARN CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199078 556256800 /nfs/dbraw/zinc/25/68/00/556256800.db2.gz TVAVUCNEZBBZAT-CQSZACIVSA-N 0 0 445.976 3.901 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000009238597 556265046 /nfs/dbraw/zinc/26/50/46/556265046.db2.gz XLOQVJDZDFNLSW-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)c1 ZINC000009238620 556265067 /nfs/dbraw/zinc/26/50/67/556265067.db2.gz RYPNDJFWVHOCEQ-MSOLQXFVSA-N 0 0 445.932 3.655 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 ZINC000009239184 556265524 /nfs/dbraw/zinc/26/55/24/556265524.db2.gz BAFYILCVGZJUAD-ZWKOTPCHSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239271 556265775 /nfs/dbraw/zinc/26/57/75/556265775.db2.gz RUXIBTQKNSMWBW-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 ZINC000009242815 556266709 /nfs/dbraw/zinc/26/67/09/556266709.db2.gz LMGUVHVDPRJSKE-UHFFFAOYSA-N 0 0 432.509 3.854 50 0 IHAARN CCN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000009262311 556269529 /nfs/dbraw/zinc/26/95/29/556269529.db2.gz QDCAPMMHZTZHKN-GZTJUZNOSA-N 0 0 430.457 3.908 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000009305628 556276807 /nfs/dbraw/zinc/27/68/07/556276807.db2.gz KOHOWIJLHXKVCE-OAHLLOKOSA-N 0 0 441.532 3.967 50 0 IHAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccc(F)cc2)c1 ZINC000013687801 556277377 /nfs/dbraw/zinc/27/73/77/556277377.db2.gz GHLJODWTGTTZGZ-HXUWFJFHSA-N 0 0 443.544 3.613 50 0 IHAARN COCCNC(=O)c1ccc(-n2c(C)nc3ccc(OCc4ccccc4)cc3c2=O)cc1 ZINC000013690705 556280085 /nfs/dbraw/zinc/28/00/85/556280085.db2.gz XAYXNFLMWSYAHP-UHFFFAOYSA-N 0 0 443.503 3.649 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)ccn3n2)cc1 ZINC000009321138 556280694 /nfs/dbraw/zinc/28/06/94/556280694.db2.gz HMOCXCWKCVKBRL-UHFFFAOYSA-N 0 0 440.547 3.953 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013691817 556281384 /nfs/dbraw/zinc/28/13/84/556281384.db2.gz LNLXJBXKTCSXBG-LJQANCHMSA-N 0 0 439.537 3.949 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Br)cc1Cl ZINC000013692138 556281725 /nfs/dbraw/zinc/28/17/25/556281725.db2.gz HFWYCNRLFFVPLT-UHFFFAOYSA-N 0 0 448.704 3.776 50 0 IHAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000032731444 556283262 /nfs/dbraw/zinc/28/32/62/556283262.db2.gz LMGJEYRSQHVPTE-IBGZPJMESA-N 0 0 426.469 3.880 50 0 IHAARN COc1ccc(OCC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009358879 556285386 /nfs/dbraw/zinc/28/53/86/556285386.db2.gz YEUOGSKZUOYOMQ-UHFFFAOYSA-N 0 0 444.531 3.577 50 0 IHAARN COc1ccc(-c2nn3c(CCc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1 ZINC000013719459 556289085 /nfs/dbraw/zinc/28/90/85/556289085.db2.gz IFPUVFCXQZPYAM-UHFFFAOYSA-N 0 0 426.498 3.672 50 0 IHAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCCC3)o2)cc1 ZINC000013731496 556295702 /nfs/dbraw/zinc/29/57/02/556295702.db2.gz RIRIXVXYHVHVKB-UHFFFAOYSA-N 0 0 442.493 3.554 50 0 IHAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCCC2)o1 ZINC000013736142 556297806 /nfs/dbraw/zinc/29/78/06/556297806.db2.gz PGRNWNPZTVGVKY-UHFFFAOYSA-N 0 0 442.493 3.554 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000065023113 556298102 /nfs/dbraw/zinc/29/81/02/556298102.db2.gz AQBFZTNWLUDMBN-OAHLLOKOSA-N 0 0 425.872 3.803 50 0 IHAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccccn3)n1N)oc1ccccc12 ZINC000013752163 556299766 /nfs/dbraw/zinc/29/97/66/556299766.db2.gz BTWDAFMQHPMAOA-UHFFFAOYSA-N 0 0 446.492 3.693 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C ZINC000032741871 556303691 /nfs/dbraw/zinc/30/36/91/556303691.db2.gz WXFOCYLBVHBVPN-MRXNPFEDSA-N 0 0 427.574 3.924 50 0 IHAARN Cc1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663442 556304557 /nfs/dbraw/zinc/30/45/57/556304557.db2.gz IXKKZIYNEPSZPV-IBGZPJMESA-N 0 0 428.492 3.879 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000009830384 556310698 /nfs/dbraw/zinc/31/06/98/556310698.db2.gz FKRMCHFYVUKYMY-UHFFFAOYSA-N 0 0 432.505 3.910 50 0 IHAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000009830447 556311064 /nfs/dbraw/zinc/31/10/64/556311064.db2.gz STDZESKSBZKFDL-FUHWJXTLSA-N 0 0 442.516 3.619 50 0 IHAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000032745315 556315121 /nfs/dbraw/zinc/31/51/21/556315121.db2.gz QABRYHRBAPZYRC-UHFFFAOYSA-N 0 0 441.988 3.978 50 0 IHAARN O=C(N[C@@H](C(=O)NC1=NCCS1)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000009909546 556316732 /nfs/dbraw/zinc/31/67/32/556316732.db2.gz ROKYQAIEUGWJDW-CTEACUEPSA-N 0 0 431.989 3.874 50 0 IHAARN COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 ZINC000009970196 556319298 /nfs/dbraw/zinc/31/92/98/556319298.db2.gz CBDCSRZXFALRBO-UHFFFAOYSA-N 0 0 431.477 3.863 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000032759422 556319452 /nfs/dbraw/zinc/31/94/52/556319452.db2.gz UXBGARNZDCRNDD-MRXNPFEDSA-N 0 0 444.557 3.627 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ccn3n2)cc1 ZINC000010273939 556329029 /nfs/dbraw/zinc/32/90/29/556329029.db2.gz CLIQLRQSLQRKOT-UHFFFAOYSA-N 0 0 442.397 3.829 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@@H]1CCCc2ccccc21 ZINC000032764692 556331952 /nfs/dbraw/zinc/33/19/52/556331952.db2.gz HQTBRABKOCYWQK-SFHVURJKSA-N 0 0 432.611 3.702 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC000032770630 556334600 /nfs/dbraw/zinc/33/46/00/556334600.db2.gz UGEGDTRPYXJXLH-LLVKDONJSA-N 0 0 444.269 3.589 50 0 IHAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000032774470 556336612 /nfs/dbraw/zinc/33/66/12/556336612.db2.gz UESYIXFLYFBYOZ-NSHDSACASA-N 0 0 427.436 3.919 50 0 IHAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011661166 556343043 /nfs/dbraw/zinc/34/30/43/556343043.db2.gz LXLSYBQANVZKSJ-GOSISDBHSA-N 0 0 436.512 3.522 50 0 IHAARN CCOc1ccc(-c2noc(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 ZINC000032779766 556345113 /nfs/dbraw/zinc/34/51/13/556345113.db2.gz MLHJAOGOGZYOGM-UHFFFAOYSA-N 0 0 447.495 3.504 50 0 IHAARN CSCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)o1 ZINC000011665357 556345644 /nfs/dbraw/zinc/34/56/44/556345644.db2.gz BCIGXOBKOZSOOH-SFHVURJKSA-N 0 0 429.586 3.871 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032781169 556347686 /nfs/dbraw/zinc/34/76/86/556347686.db2.gz COTCWOHZAMEIRT-UHFFFAOYSA-N 0 0 442.943 3.855 50 0 IHAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(CC(C)C)nc(C)n3)C2)cc1OC ZINC000011715960 556348411 /nfs/dbraw/zinc/34/84/11/556348411.db2.gz ATMLQFMZOQNGHA-SFHVURJKSA-N 0 0 425.529 3.736 50 0 IHAARN CN(CC(=O)N1CCc2sccc2[C@H]1c1cccs1)S(=O)(=O)c1cccs1 ZINC000032781502 556349615 /nfs/dbraw/zinc/34/96/15/556349615.db2.gz XSIUEMDNOOWPDU-SFHVURJKSA-N 0 0 438.621 3.666 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000032788517 556350747 /nfs/dbraw/zinc/35/07/47/556350747.db2.gz PAYHUQTUJNGHLZ-UHFFFAOYSA-N 0 0 448.523 3.789 50 0 IHAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC3)n1 ZINC000011786865 556353795 /nfs/dbraw/zinc/35/37/95/556353795.db2.gz BYEXBPYTMBDDQJ-DYESRHJHSA-N 0 0 441.959 3.756 50 0 IHAARN COc1cccc(CNC(=O)COCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000014011030 556355174 /nfs/dbraw/zinc/35/51/74/556355174.db2.gz JBVMZZGLWDNFCD-UHFFFAOYSA-N 0 0 434.492 3.546 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1I ZINC000014021288 556356718 /nfs/dbraw/zinc/35/67/18/556356718.db2.gz KEUCLXCSXQFUAS-CQSZACIVSA-N 0 0 440.306 3.904 50 0 IHAARN O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cc4c(cc3Cl)OCO4)N3CCC[C@@]123 ZINC000011814757 556357907 /nfs/dbraw/zinc/35/79/07/556357907.db2.gz NSIMWSPQTBGLGH-ADSMNUKGSA-N 0 0 436.939 3.974 50 0 IHAARN COc1cc(CCC2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc(OC)c1 ZINC000032795886 556358252 /nfs/dbraw/zinc/35/82/52/556358252.db2.gz JELACIPDGQTDPD-NRFANRHFSA-N 0 0 438.572 3.582 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(C)s2)C1 ZINC000011815066 556358387 /nfs/dbraw/zinc/35/83/87/556358387.db2.gz KXJBJIAUINXBQO-OAQYLSRUSA-N 0 0 433.599 3.662 50 0 IHAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 ZINC000014068135 556360044 /nfs/dbraw/zinc/36/00/44/556360044.db2.gz CODOVNOUHLWOIS-UGKGYDQZSA-N 0 0 431.458 3.908 50 0 IHAARN O=C(c1nc2sccn2c1CN1CCC([C@@H](O)c2cccs2)CC1)N1CCCC1 ZINC000011820098 556361920 /nfs/dbraw/zinc/36/19/20/556361920.db2.gz YIYOEGDHTJADSB-LJQANCHMSA-N 0 0 430.599 3.639 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000011878169 556370936 /nfs/dbraw/zinc/37/09/36/556370936.db2.gz DOGJBLZFQCWGHY-OAQYLSRUSA-N 0 0 437.583 3.642 50 0 IHAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c1 ZINC000014120742 556371915 /nfs/dbraw/zinc/37/19/15/556371915.db2.gz SERYDUFMSQHCMV-UHFFFAOYSA-N 0 0 427.551 3.622 50 0 IHAARN CN1C(=O)COc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc21 ZINC000011904268 556373965 /nfs/dbraw/zinc/37/39/65/556373965.db2.gz XTFHESJRLFKIGQ-UHFFFAOYSA-N 0 0 429.885 3.836 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1C ZINC000014157856 556377983 /nfs/dbraw/zinc/37/79/83/556377983.db2.gz RZPVBNSRRQPORO-UHFFFAOYSA-N 0 0 440.503 3.679 50 0 IHAARN CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000011935732 556378220 /nfs/dbraw/zinc/37/82/20/556378220.db2.gz VAVOFEXDRYQVAA-UHFFFAOYSA-N 0 0 444.507 3.726 50 0 IHAARN CC[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1Cc1ccccc1)N(C)C ZINC000014164244 556378958 /nfs/dbraw/zinc/37/89/58/556378958.db2.gz GDBOLJOUWPJMFW-FQEVSTJZSA-N 0 0 449.580 3.809 50 0 IHAARN O=C(c1ccccc1N1CCOCC1)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000011937137 556379103 /nfs/dbraw/zinc/37/91/03/556379103.db2.gz WGAHGIHWKTXKID-XMMPIXPASA-N 0 0 428.960 3.634 50 0 IHAARN COc1ccc(CCC(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)cc1OC ZINC000011982914 556383503 /nfs/dbraw/zinc/38/35/03/556383503.db2.gz MQZCIKAYFMTZCL-OAQYLSRUSA-N 0 0 447.535 3.830 50 0 IHAARN CCOC(=O)[C@H]1CSCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000014184180 556384045 /nfs/dbraw/zinc/38/40/45/556384045.db2.gz FBYYJDOMFGTPMO-GOSISDBHSA-N 0 0 427.551 3.722 50 0 IHAARN Cc1nc([C@@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1 ZINC000011995968 556384151 /nfs/dbraw/zinc/38/41/51/556384151.db2.gz URGOOVJNJOCITI-CYBMUJFWSA-N 0 0 430.537 3.992 50 0 IHAARN C[C@@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011997775 556384631 /nfs/dbraw/zinc/38/46/31/556384631.db2.gz YWBQBTDBNCZZII-NPMXOYFQSA-N 0 0 443.931 3.877 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 ZINC000014184930 556385206 /nfs/dbraw/zinc/38/52/06/556385206.db2.gz DUQBIAXHKUPLLR-PEBXRYMYSA-N 0 0 427.501 3.510 50 0 IHAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)cc1OC ZINC000012025808 556387819 /nfs/dbraw/zinc/38/78/19/556387819.db2.gz DCAOTVXELNSXQD-FQEVSTJZSA-N 0 0 433.508 3.684 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCNC(=O)c1ccco1 ZINC000014196497 556388148 /nfs/dbraw/zinc/38/81/48/556388148.db2.gz FSIGPWHMISEBAK-UHFFFAOYSA-N 0 0 428.492 3.911 50 0 IHAARN COc1ccccc1[C@H]1CCCN1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 ZINC000012037817 556390110 /nfs/dbraw/zinc/39/01/10/556390110.db2.gz KTWGDNZZLSGHON-GOSISDBHSA-N 0 0 446.536 3.651 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000012042860 556391536 /nfs/dbraw/zinc/39/15/36/556391536.db2.gz YUSOSHWYQVMSNI-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000014202323 556392747 /nfs/dbraw/zinc/39/27/47/556392747.db2.gz ZNANVGASZLOURQ-UHFFFAOYSA-N 0 0 438.919 3.828 50 0 IHAARN Cc1ccc(Cc2cnc(NC(=O)CCn3cnc4sccc4c3=O)s2)cc1F ZINC000032817106 556393123 /nfs/dbraw/zinc/39/31/23/556393123.db2.gz HMGUWAPVNCYYGZ-UHFFFAOYSA-N 0 0 428.514 3.982 50 0 IHAARN COC(=O)c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cc1 ZINC000012054429 556393464 /nfs/dbraw/zinc/39/34/64/556393464.db2.gz NTEYTNJXGFMVAJ-UHFFFAOYSA-N 0 0 428.536 3.741 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(I)cc1 ZINC000032809407 556394165 /nfs/dbraw/zinc/39/41/65/556394165.db2.gz RKTJCXZZSPTKRV-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC000012057858 556395004 /nfs/dbraw/zinc/39/50/04/556395004.db2.gz ILBLTABCURTWTD-DEOSSOPVSA-N 0 0 428.529 3.865 50 0 IHAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014237294 556399652 /nfs/dbraw/zinc/39/96/52/556399652.db2.gz XKGSGBZTQLVOJW-LJQANCHMSA-N 0 0 434.558 3.967 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCN3CCCC3=O)cc12 ZINC000014240083 556401010 /nfs/dbraw/zinc/40/10/10/556401010.db2.gz NVHZGLNSGFJFKU-UHFFFAOYSA-N 0 0 430.961 3.850 50 0 IHAARN CCN(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000014242704 556403161 /nfs/dbraw/zinc/40/31/61/556403161.db2.gz ZSQOOALSTTXGGC-UHFFFAOYSA-N 0 0 433.537 3.558 50 0 IHAARN Cc1cccc(C)c1O[C@H](C)C(=O)NC[C@@H](C)NC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000012404073 556404306 /nfs/dbraw/zinc/40/43/06/556404306.db2.gz GZYXHVUWYJISGZ-NJYVYQBISA-N 0 0 426.557 3.776 50 0 IHAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000014247165 556407180 /nfs/dbraw/zinc/40/71/80/556407180.db2.gz QLSIFXWFERSIMF-LJQANCHMSA-N 0 0 439.364 3.731 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000014249331 556407993 /nfs/dbraw/zinc/40/79/93/556407993.db2.gz XABRBXPDLAOHCH-UHFFFAOYSA-N 0 0 449.529 3.677 50 0 IHAARN CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)c(C)c1 ZINC000032623365 556410471 /nfs/dbraw/zinc/41/04/71/556410471.db2.gz GEKAVXLSBGACTE-UHFFFAOYSA-N 0 0 444.896 3.834 50 0 IHAARN NC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)cc1 ZINC000014323338 556412952 /nfs/dbraw/zinc/41/29/52/556412952.db2.gz TWOZOJAXEZJGLG-UHFFFAOYSA-N 0 0 432.904 3.969 50 0 IHAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032674257 556415289 /nfs/dbraw/zinc/41/52/89/556415289.db2.gz GJHWCPMYMUMJFT-LBPRGKRZSA-N 0 0 445.907 3.750 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000032836924 556418413 /nfs/dbraw/zinc/41/84/13/556418413.db2.gz BGVMNRSRZBHGDE-FQEVSTJZSA-N 0 0 429.879 3.822 50 0 IHAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)c2ccccc21 ZINC000014502556 556419792 /nfs/dbraw/zinc/41/97/92/556419792.db2.gz GPSKRCGBTSTMSE-UHFFFAOYSA-N 0 0 435.487 3.765 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014502047 556419805 /nfs/dbraw/zinc/41/98/05/556419805.db2.gz OHFWPQFAWWRMBP-UHFFFAOYSA-N 0 0 449.514 3.625 50 0 IHAARN COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000012973728 556419876 /nfs/dbraw/zinc/41/98/76/556419876.db2.gz AXQPHNRJOIJXQN-UHFFFAOYSA-N 0 0 434.883 3.703 50 0 IHAARN Cc1ccccc1CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 ZINC000012974360 556420229 /nfs/dbraw/zinc/42/02/29/556420229.db2.gz VXUPIZSCIRYMFD-UHFFFAOYSA-N 0 0 429.446 3.553 50 0 IHAARN O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012974928 556420893 /nfs/dbraw/zinc/42/08/93/556420893.db2.gz NUDICRRVIHILDG-KRWDZBQOSA-N 0 0 426.538 3.938 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCn2c3ccccc3oc2=O)cc1 ZINC000012978832 556423301 /nfs/dbraw/zinc/42/33/01/556423301.db2.gz OLDJVKJYTVSAOV-UHFFFAOYSA-N 0 0 429.476 3.862 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000012981223 556424475 /nfs/dbraw/zinc/42/44/75/556424475.db2.gz LSIWFQSXNMVFNL-UHFFFAOYSA-N 0 0 449.551 3.983 50 0 IHAARN O=C(c1sccc1Cl)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 ZINC000014539456 556424953 /nfs/dbraw/zinc/42/49/53/556424953.db2.gz KQQYOCOORNVUFL-SFHVURJKSA-N 0 0 447.988 3.999 50 0 IHAARN O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cc(Cl)ccc1F ZINC000032679614 556425027 /nfs/dbraw/zinc/42/50/27/556425027.db2.gz YDOULWLYSKQVKR-UHFFFAOYSA-N 0 0 425.913 3.704 50 0 IHAARN COc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br ZINC000012987062 556427311 /nfs/dbraw/zinc/42/73/11/556427311.db2.gz KXNVSFYFLOFYMW-GFCCVEGCSA-N 0 0 431.290 3.538 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3sc(COc4ccc(Cl)cc4)nc3C)CC2)no1 ZINC000032841682 556427390 /nfs/dbraw/zinc/42/73/90/556427390.db2.gz QTMHGJPCPNJVID-UHFFFAOYSA-N 0 0 446.960 3.938 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)N3CCC[C@H]3c3nnc4ccccn43)cs2)cc1 ZINC000032841801 556427693 /nfs/dbraw/zinc/42/76/93/556427693.db2.gz NWRMZFIQZMAVMJ-IBGZPJMESA-N 0 0 433.537 3.979 50 0 IHAARN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032842843 556427781 /nfs/dbraw/zinc/42/77/81/556427781.db2.gz NIZQQPDDXXMLTC-MRXNPFEDSA-N 0 0 438.505 3.857 50 0 IHAARN O=C(CNC(=O)NCc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032843382 556428414 /nfs/dbraw/zinc/42/84/14/556428414.db2.gz XEMQBXICFLWEBT-VRXIZKAYSA-N 0 0 425.532 3.899 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000032843754 556428917 /nfs/dbraw/zinc/42/89/17/556428917.db2.gz ZVQQBAIZAOSJBD-UHFFFAOYSA-N 0 0 437.462 3.750 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000032843840 556428950 /nfs/dbraw/zinc/42/89/50/556428950.db2.gz VPKNMYRMVPROHY-UHFFFAOYSA-N 0 0 435.446 3.823 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000032845315 556429372 /nfs/dbraw/zinc/42/93/72/556429372.db2.gz VGHPKXLBBKYDEL-UHFFFAOYSA-N 0 0 427.302 3.620 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c(=O)oc2c1 ZINC000032841077 556429994 /nfs/dbraw/zinc/42/99/94/556429994.db2.gz NSRBTWYAUXKSPJ-UHFFFAOYSA-N 0 0 438.867 3.747 50 0 IHAARN CC[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000032848741 556430814 /nfs/dbraw/zinc/43/08/14/556430814.db2.gz HMBLGGAWPXCZOU-FQEVSTJZSA-N 0 0 437.471 3.764 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3C)o2)cc1 ZINC000032855749 556433213 /nfs/dbraw/zinc/43/32/13/556433213.db2.gz ZFTOVBABRIXRLM-OAQYLSRUSA-N 0 0 425.510 3.512 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccco2)cc1 ZINC000013002441 556433832 /nfs/dbraw/zinc/43/38/32/556433832.db2.gz VCGFKLDPSYJKEI-UHFFFAOYSA-N 0 0 444.491 3.529 50 0 IHAARN COc1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1OC ZINC000013005223 556434816 /nfs/dbraw/zinc/43/48/16/556434816.db2.gz BHXVOUBPZHJJGV-HNNXBMFYSA-N 0 0 436.508 3.783 50 0 IHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)cc2)n1 ZINC000014710546 556435460 /nfs/dbraw/zinc/43/54/60/556435460.db2.gz XMLPBXTVAOKFHK-UHFFFAOYSA-N 0 0 448.595 3.565 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)N1CCC(Cc3ccccc3)CC1)C[C@@H](C)S2 ZINC000011026296 556435865 /nfs/dbraw/zinc/43/58/65/556435865.db2.gz QPWGUFLOLLMMHL-MRXNPFEDSA-N 0 0 443.638 3.873 50 0 IHAARN Cc1csc2nc(COC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc(=O)n12 ZINC000013013127 556436357 /nfs/dbraw/zinc/43/63/57/556436357.db2.gz YAHQRIUWPUUIPA-FQEVSTJZSA-N 0 0 447.516 3.669 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1C ZINC000013016792 556438341 /nfs/dbraw/zinc/43/83/41/556438341.db2.gz JFYMKMBUZFCCRS-UHFFFAOYSA-N 0 0 446.290 3.952 50 0 IHAARN CN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)sc2C1 ZINC000027989075 556439270 /nfs/dbraw/zinc/43/92/70/556439270.db2.gz LUEDMDAURWMKER-UHFFFAOYSA-N 0 0 440.529 3.832 50 0 IHAARN CCCCn1c(N)c(N(CCC)C(=O)c2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O ZINC000013027542 556441026 /nfs/dbraw/zinc/44/10/26/556441026.db2.gz HNBSUMPOSKNYID-UHFFFAOYSA-N 0 0 436.512 3.768 50 0 IHAARN Cc1c2cccc(F)c2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013040809 556446453 /nfs/dbraw/zinc/44/64/53/556446453.db2.gz IKJAAPIYTBNSRM-HNNXBMFYSA-N 0 0 435.455 3.938 50 0 IHAARN C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013040941 556446923 /nfs/dbraw/zinc/44/69/23/556446923.db2.gz VOZDNJDOUSDBPT-QMMMGPOBSA-N 0 0 431.659 3.997 50 0 IHAARN O=C(c1cccc(I)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000032863813 556448895 /nfs/dbraw/zinc/44/88/95/556448895.db2.gz RTSVGLXQWIUOAR-UHFFFAOYSA-N 0 0 438.284 3.778 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)Cc1c(C)noc1C)C2 ZINC000014881556 556453907 /nfs/dbraw/zinc/45/39/07/556453907.db2.gz LCQQDZXUVZSDNN-SFHVURJKSA-N 0 0 434.492 3.716 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000013097316 556457910 /nfs/dbraw/zinc/45/79/10/556457910.db2.gz SUQBJEWSJYFLRR-UHFFFAOYSA-N 0 0 431.920 3.943 50 0 IHAARN COc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000013097535 556458273 /nfs/dbraw/zinc/45/82/73/556458273.db2.gz UVXIULCXRQVPPE-WMVQRKQLSA-N 0 0 431.554 3.564 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCSc1ccccc1 ZINC000028669341 556458514 /nfs/dbraw/zinc/45/85/14/556458514.db2.gz MKMHSWZDIPRFPO-JLHYYAGUSA-N 0 0 442.562 3.680 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013098027 556458852 /nfs/dbraw/zinc/45/88/52/556458852.db2.gz SVYFVXFBBFEWTR-UHFFFAOYSA-N 0 0 438.572 3.603 50 0 IHAARN O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)Nc1cccc(F)c1 ZINC000032871189 556459853 /nfs/dbraw/zinc/45/98/53/556459853.db2.gz HNHWBFYPCQJREO-UHFFFAOYSA-N 0 0 437.562 3.906 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)n(C)c1 ZINC000028729755 556459917 /nfs/dbraw/zinc/45/99/17/556459917.db2.gz SROWJMGGIYXPOR-INIZCTEOSA-N 0 0 442.006 3.676 50 0 IHAARN O=C(Cc1sc(NC2CC2)nc1O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013102145 556461055 /nfs/dbraw/zinc/46/10/55/556461055.db2.gz ADGSHQWNLTUDRG-KRWDZBQOSA-N 0 0 427.913 3.650 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)N(CCc1ccccc1)Cc1ccccc1 ZINC000014954594 556461928 /nfs/dbraw/zinc/46/19/28/556461928.db2.gz LOJIXFWEISPUBP-XMMPIXPASA-N 0 0 447.604 3.710 50 0 IHAARN Cc1nc(SCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)sc1CC(N)=O ZINC000032871364 556462259 /nfs/dbraw/zinc/46/22/59/556462259.db2.gz TVHBHVQGPORAOB-LJQANCHMSA-N 0 0 431.608 3.847 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCCCn1c2ccccc2[nH]c1=O ZINC000013109310 556462639 /nfs/dbraw/zinc/46/26/39/556462639.db2.gz ZBJLKIYFPTWFPM-UHFFFAOYSA-N 0 0 430.537 3.561 50 0 IHAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000013109562 556462926 /nfs/dbraw/zinc/46/29/26/556462926.db2.gz WFNBZLISIQGHNP-SFHVURJKSA-N 0 0 440.550 3.575 50 0 IHAARN CCN(C(=O)[C@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 ZINC000028908487 556463472 /nfs/dbraw/zinc/46/34/72/556463472.db2.gz UWKBFDCBTKRPJV-FUHWJXTLSA-N 0 0 427.570 3.650 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C ZINC000013110167 556464313 /nfs/dbraw/zinc/46/43/13/556464313.db2.gz UORZSOFXGLQBIC-LRYXAPPNSA-N 0 0 434.602 3.717 50 0 IHAARN CCCN(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1nnc(-c2cccs2)o1 ZINC000028970352 556465225 /nfs/dbraw/zinc/46/52/25/556465225.db2.gz HEOUSIGKXOAEHI-UHFFFAOYSA-N 0 0 439.585 3.667 50 0 IHAARN CN(C)C(=O)CCC(=O)NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000014965869 556465344 /nfs/dbraw/zinc/46/53/44/556465344.db2.gz BBBDZJDYSOJEOX-SFHVURJKSA-N 0 0 436.430 3.540 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000014966874 556465746 /nfs/dbraw/zinc/46/57/46/556465746.db2.gz GNEXXUUAYWCGPB-QHCPKHFHSA-N 0 0 449.595 3.672 50 0 IHAARN Cc1c(C(=O)N(C)C[C@H](O)c2ccccc2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000014967579 556466064 /nfs/dbraw/zinc/46/60/64/556466064.db2.gz KTLADKIZXGLGRP-IBGZPJMESA-N 0 0 433.537 3.813 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c(C)cccc3c2=O)c(OC)c1 ZINC000029067794 556466404 /nfs/dbraw/zinc/46/64/04/556466404.db2.gz UUEKTBSFZSQXHE-NRFANRHFSA-N 0 0 435.524 3.866 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000013114552 556467073 /nfs/dbraw/zinc/46/70/73/556467073.db2.gz WWDLMOOMSDHATO-UHFFFAOYSA-N 0 0 447.564 3.827 50 0 IHAARN COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000029119331 556467810 /nfs/dbraw/zinc/46/78/10/556467810.db2.gz ARAOPKMYXDWFOB-UHFFFAOYSA-N 0 0 428.488 3.524 50 0 IHAARN Cc1cccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccco2)c1 ZINC000013115990 556468571 /nfs/dbraw/zinc/46/85/71/556468571.db2.gz GLKMTSXFGDXAEK-QHCPKHFHSA-N 0 0 438.549 3.973 50 0 IHAARN COc1ccc(-c2cc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc2OC)cc1 ZINC000013118080 556471419 /nfs/dbraw/zinc/47/14/19/556471419.db2.gz RRZYVUZVESALFK-WOJBJXKFSA-N 0 0 434.492 3.651 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)n2)s1 ZINC000029311958 556472380 /nfs/dbraw/zinc/47/23/80/556472380.db2.gz LBOABUGFVSAGGQ-UHFFFAOYSA-N 0 0 425.532 3.626 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1Cc1ccccc1 ZINC000013120742 556472963 /nfs/dbraw/zinc/47/29/63/556472963.db2.gz KEAMWUQWWCNCRT-NRFANRHFSA-N 0 0 443.906 3.878 50 0 IHAARN Cc1cccn2cc(CN3CCN(C(=O)C4(c5ccc(Cl)cc5)CC4)CCC3=O)nc12 ZINC000014986903 556473068 /nfs/dbraw/zinc/47/30/68/556473068.db2.gz GICSCERBOAXICY-UHFFFAOYSA-N 0 0 436.943 3.589 50 0 IHAARN C[C@H]1Oc2c(cccc2C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)[C@H]1C ZINC000013121123 556473826 /nfs/dbraw/zinc/47/38/26/556473826.db2.gz FLWMYHCINQHSPV-JKSUJKDBSA-N 0 0 427.932 3.621 50 0 IHAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)[C@@H]1C ZINC000013121120 556473887 /nfs/dbraw/zinc/47/38/87/556473887.db2.gz FLWMYHCINQHSPV-CVEARBPZSA-N 0 0 427.932 3.621 50 0 IHAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccccc2F)cs1 ZINC000013121376 556474124 /nfs/dbraw/zinc/47/41/24/556474124.db2.gz MVXOEPUXIKNFPA-UHFFFAOYSA-N 0 0 436.512 3.540 50 0 IHAARN C[C@@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1F ZINC000072285040 556475672 /nfs/dbraw/zinc/47/56/72/556475672.db2.gz ATBXKIJJMSWDIG-LJQANCHMSA-N 0 0 436.256 3.755 50 0 IHAARN C[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000029509835 556477250 /nfs/dbraw/zinc/47/72/50/556477250.db2.gz XJMIWPQWQLNQIK-IBGZPJMESA-N 0 0 433.618 3.724 50 0 IHAARN O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000013128185 556477447 /nfs/dbraw/zinc/47/74/47/556477447.db2.gz OAFPNOJDTMYLGI-UHFFFAOYSA-N 0 0 429.527 3.601 50 0 IHAARN COc1ccc([C@@H](CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000013128534 556477853 /nfs/dbraw/zinc/47/78/53/556477853.db2.gz PZUQPRXEQNYULR-HSZRJFAPSA-N 0 0 444.597 3.511 50 0 IHAARN COc1ccc(-n2ccn(CN3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2=S)cc1 ZINC000029543496 556478053 /nfs/dbraw/zinc/47/80/53/556478053.db2.gz PNYIYAALVQUEHY-SFHVURJKSA-N 0 0 427.526 3.541 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2NC1=O ZINC000013128812 556478520 /nfs/dbraw/zinc/47/85/20/556478520.db2.gz VYLGOMIIFCYUNC-OAHLLOKOSA-N 0 0 425.448 3.906 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC(=O)Nc1ccccc1F ZINC000013129580 556479210 /nfs/dbraw/zinc/47/92/10/556479210.db2.gz DCGKSVCFWJAQQY-UHFFFAOYSA-N 0 0 445.447 3.508 50 0 IHAARN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000014999677 556479548 /nfs/dbraw/zinc/47/95/48/556479548.db2.gz DEHSQPXMHROPMC-ICSRJNTNSA-N 0 0 427.570 3.841 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)cs2)cc1OC ZINC000013131314 556480379 /nfs/dbraw/zinc/48/03/79/556480379.db2.gz TXSNQTJMVXEIJY-GOSISDBHSA-N 0 0 437.521 3.881 50 0 IHAARN CCCCOCCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1cccc(Br)c1 ZINC000072288720 556480940 /nfs/dbraw/zinc/48/09/40/556480940.db2.gz XTYDAWLYYCQOIY-UHFFFAOYSA-N 0 0 446.349 3.967 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1OC ZINC000013133643 556481055 /nfs/dbraw/zinc/48/10/55/556481055.db2.gz XHFNKIGXEOLIQX-INIZCTEOSA-N 0 0 439.537 3.652 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1C ZINC000029763604 556481849 /nfs/dbraw/zinc/48/18/49/556481849.db2.gz VLHLLVRELGHIBO-KNQAVFIVSA-N 0 0 442.943 3.907 50 0 IHAARN Cc1ccc(NC(=O)N(CCCCO)C2CC2)cc1NC(=O)N(CCCCO)C1CC1 ZINC000072288960 556482836 /nfs/dbraw/zinc/48/28/36/556482836.db2.gz ZDUIGQYUDVDCPQ-UHFFFAOYSA-N 0 0 432.565 3.533 50 0 IHAARN Cn1cc([C@H]2[C@@H](c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CCC(=O)N2C)cn1 ZINC000072289744 556483490 /nfs/dbraw/zinc/48/34/90/556483490.db2.gz PKQZWCCWQMZPAM-UNMCSNQZSA-N 0 0 444.495 3.521 50 0 IHAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000029844283 556484202 /nfs/dbraw/zinc/48/42/02/556484202.db2.gz KGMBYHJFGURTMO-GOSISDBHSA-N 0 0 431.558 3.898 50 0 IHAARN COc1cc(OC)cc(-c2nnc(SCCS(=O)(=O)c3cc(C)ccc3C)o2)c1 ZINC000029866662 556484920 /nfs/dbraw/zinc/48/49/20/556484920.db2.gz QQYOLAHFWPUFSH-UHFFFAOYSA-N 0 0 434.539 3.937 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029893659 556485882 /nfs/dbraw/zinc/48/58/82/556485882.db2.gz ORPRMVIRXLQNNP-UHFFFAOYSA-N 0 0 443.569 3.728 50 0 IHAARN COc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl ZINC000029895834 556485918 /nfs/dbraw/zinc/48/59/18/556485918.db2.gz VEAYJGHPBUJHFO-DYESRHJHSA-N 0 0 444.915 3.830 50 0 IHAARN CCOC(=O)c1sc2[nH]c([C@H](C)N(C)Cc3ccc(OC)cc3OC)nc(=O)c2c1C ZINC000013140806 556486031 /nfs/dbraw/zinc/48/60/31/556486031.db2.gz KFRLOQYSWWKSPD-ZDUSSCGKSA-N 0 0 445.541 3.680 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1F ZINC000015020327 556488198 /nfs/dbraw/zinc/48/81/98/556488198.db2.gz BPYBLTSUDGDTGA-HOTGVXAUSA-N 0 0 434.533 3.967 50 0 IHAARN COc1ccc2nc(C)c(C(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)cc2c1 ZINC000029985419 556488252 /nfs/dbraw/zinc/48/82/52/556488252.db2.gz BDJGIOLJQLAHBR-UHFFFAOYSA-N 0 0 435.524 3.527 50 0 IHAARN O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)OCO2 ZINC000013147863 556489012 /nfs/dbraw/zinc/48/90/12/556489012.db2.gz MVMRISADTLESAC-UHFFFAOYSA-N 0 0 441.443 3.850 50 0 IHAARN CC(=O)c1ccccc1NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000030291520 556492736 /nfs/dbraw/zinc/49/27/36/556492736.db2.gz RUSIKQGGMVBAEU-UHFFFAOYSA-N 0 0 440.853 3.717 50 0 IHAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccco3)c1)CC2 ZINC000015068049 556493865 /nfs/dbraw/zinc/49/38/65/556493865.db2.gz RIRWFFVGCOLPQF-LJQANCHMSA-N 0 0 434.496 3.539 50 0 IHAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)NN1C(=O)NC2(CCCCC2)C1=O ZINC000013163627 556494031 /nfs/dbraw/zinc/49/40/31/556494031.db2.gz HXOKSEXIFFIYRN-UHFFFAOYSA-N 0 0 427.888 3.672 50 0 IHAARN COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)n2)c1 ZINC000013164107 556495681 /nfs/dbraw/zinc/49/56/81/556495681.db2.gz WSGRDOYJHRRFIX-DEOSSOPVSA-N 0 0 428.448 3.866 50 0 IHAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013164087 556495777 /nfs/dbraw/zinc/49/57/77/556495777.db2.gz MGEGTAQEJLABPT-HNNXBMFYSA-N 0 0 447.582 3.549 50 0 IHAARN COC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 ZINC000030513918 556496119 /nfs/dbraw/zinc/49/61/19/556496119.db2.gz YMPUTCNJQFBQIZ-UHFFFAOYSA-N 0 0 449.956 3.872 50 0 IHAARN Fc1cccc(-n2c(SCc3noc(-c4cccs4)n3)nnc2N2CCOCC2)c1 ZINC000030514541 556496166 /nfs/dbraw/zinc/49/61/66/556496166.db2.gz CKWBOMNVLBZMQA-UHFFFAOYSA-N 0 0 444.517 3.647 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000013164810 556497314 /nfs/dbraw/zinc/49/73/14/556497314.db2.gz VAPCSFJYHGGSGC-OAHLLOKOSA-N 0 0 447.520 3.805 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC(=O)NCc3ccco3)cc12 ZINC000030554472 556497793 /nfs/dbraw/zinc/49/77/93/556497793.db2.gz BYZIFLFZLFYVJP-UHFFFAOYSA-N 0 0 442.928 3.747 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000013227312 556500142 /nfs/dbraw/zinc/50/01/42/556500142.db2.gz JBBICJCZWHMEMB-FAGZOMQFSA-N 0 0 428.573 3.720 50 0 IHAARN COc1cccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009058749 556500448 /nfs/dbraw/zinc/50/04/48/556500448.db2.gz SQKCDEZUTCYDQA-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000030662921 556501362 /nfs/dbraw/zinc/50/13/62/556501362.db2.gz YTSXTZYJTXTNCI-YWZLYKJASA-N 0 0 438.553 3.535 50 0 IHAARN CC(C)CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000015128539 556505579 /nfs/dbraw/zinc/50/55/79/556505579.db2.gz GGDHKISKACILGJ-UHFFFAOYSA-N 0 0 439.537 3.580 50 0 IHAARN CSc1cccc(NC(=O)CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293988 556506069 /nfs/dbraw/zinc/50/60/69/556506069.db2.gz PCQRXPMJQITPKZ-FQEVSTJZSA-N 0 0 425.554 3.775 50 0 IHAARN CSc1cccc(NC(=O)CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293987 556506221 /nfs/dbraw/zinc/50/62/21/556506221.db2.gz PCQRXPMJQITPKZ-HXUWFJFHSA-N 0 0 425.554 3.775 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013483446 556508245 /nfs/dbraw/zinc/50/82/45/556508245.db2.gz TWMKBPCWRPEYQJ-SFHVURJKSA-N 0 0 427.522 3.888 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000032882157 556508716 /nfs/dbraw/zinc/50/87/16/556508716.db2.gz TVCHQANPLQIZCV-NRFANRHFSA-N 0 0 435.351 3.985 50 0 IHAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccnc1N1CCOCC1 ZINC000032882188 556508759 /nfs/dbraw/zinc/50/87/59/556508759.db2.gz COUWNSCTQFBLQO-UHFFFAOYSA-N 0 0 432.311 3.722 50 0 IHAARN CC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC000015182959 556508780 /nfs/dbraw/zinc/50/87/80/556508780.db2.gz OAFUEYLVZNXHSK-QGZVFWFLSA-N 0 0 445.404 3.693 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 ZINC000032882893 556509357 /nfs/dbraw/zinc/50/93/57/556509357.db2.gz XZFSTVRILHTMBB-RBUKOAKNSA-N 0 0 434.515 3.960 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 ZINC000015223454 556512200 /nfs/dbraw/zinc/51/22/00/556512200.db2.gz OYOFDPDPDUNBEF-DJJJIMSYSA-N 0 0 449.334 3.849 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccn(Cc3cccc4ccccc43)n2)cc1 ZINC000013544947 556513973 /nfs/dbraw/zinc/51/39/73/556513973.db2.gz HTURGOMHBQMPEW-UHFFFAOYSA-N 0 0 437.550 3.541 50 0 IHAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cn1 ZINC000015302267 556516914 /nfs/dbraw/zinc/51/69/14/556516914.db2.gz QGGSFRNKIFPQCA-UHFFFAOYSA-N 0 0 443.912 3.747 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 ZINC000032898867 556517264 /nfs/dbraw/zinc/51/72/64/556517264.db2.gz IDZMDHXPICUXME-SFHVURJKSA-N 0 0 441.553 3.846 50 0 IHAARN CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000032718829 556517803 /nfs/dbraw/zinc/51/78/03/556517803.db2.gz QWJCAJICVCMPAN-INIZCTEOSA-N 0 0 432.592 3.848 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011073837 556518968 /nfs/dbraw/zinc/51/89/68/556518968.db2.gz ASVSFFBKFRLWFC-HOCLYGCPSA-N 0 0 442.947 3.671 50 0 IHAARN CCN(Cc1nc(-c2ccccc2)oc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000032891607 556519646 /nfs/dbraw/zinc/51/96/46/556519646.db2.gz JAIITVBNSUUURK-UHFFFAOYSA-N 0 0 434.496 3.926 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032719075 556521447 /nfs/dbraw/zinc/52/14/47/556521447.db2.gz SMRUFCDNBHHDNE-UHFFFAOYSA-N 0 0 432.933 3.987 50 0 IHAARN COc1ccc2c(c1)[C@H](N(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1)CCO2 ZINC000072296470 556521781 /nfs/dbraw/zinc/52/17/81/556521781.db2.gz XXZZAEZFJVSFDN-JOCHJYFZSA-N 0 0 449.507 3.640 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000072297670 556522877 /nfs/dbraw/zinc/52/28/77/556522877.db2.gz ZJHMHYQIZSGALD-NRFANRHFSA-N 0 0 437.540 3.738 50 0 IHAARN COc1cc(NC(=O)c2ccco2)c(C(=O)NCCCn2cnc3ccccc32)cc1OC ZINC000015372631 556523658 /nfs/dbraw/zinc/52/36/58/556523658.db2.gz SMMCFHBYQYBLMO-UHFFFAOYSA-N 0 0 448.479 3.719 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1Cl ZINC000015397394 556524190 /nfs/dbraw/zinc/52/41/90/556524190.db2.gz HVRMCOVDVLNXEI-NRFANRHFSA-N 0 0 427.844 3.501 50 0 IHAARN COc1ccccc1NC(=O)CCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000013590093 556529114 /nfs/dbraw/zinc/52/91/14/556529114.db2.gz BKMZLRJFZUJTIU-CPNJWEJPSA-N 0 0 442.493 3.778 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1Cl ZINC000032103898 556529829 /nfs/dbraw/zinc/52/98/29/556529829.db2.gz IDYLQDAERDUUCX-AWEZNQCLSA-N 0 0 428.924 3.765 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000015490688 556530471 /nfs/dbraw/zinc/53/04/71/556530471.db2.gz LCGBBICKROSDCX-GFCCVEGCSA-N 0 0 448.342 3.726 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000015497197 556531256 /nfs/dbraw/zinc/53/12/56/556531256.db2.gz LOVVNZWYQPZMNN-SFHVURJKSA-N 0 0 429.586 3.844 50 0 IHAARN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1=O ZINC000032721396 556531932 /nfs/dbraw/zinc/53/19/32/556531932.db2.gz MVFCYSPGXLZFIO-RBUKOAKNSA-N 0 0 436.508 3.573 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 ZINC000015537705 556533580 /nfs/dbraw/zinc/53/35/80/556533580.db2.gz RICLATAUBUTXTC-UHFFFAOYSA-N 0 0 435.546 3.527 50 0 IHAARN COc1cc(C(=O)NCC(=O)Nc2cccc(C)c2C)ccc1OCc1c(C)noc1C ZINC000015534513 556533587 /nfs/dbraw/zinc/53/35/87/556533587.db2.gz RYSGSDSMBKADAX-UHFFFAOYSA-N 0 0 437.496 3.864 50 0 IHAARN CC1(C)Cc2sc3c(c2CO1)n(CCN1CCCCC1)c(=O)n(-c1ccccc1)c3=O ZINC000013609391 556534162 /nfs/dbraw/zinc/53/41/62/556534162.db2.gz JZYUGJNMFDOYIM-UHFFFAOYSA-N 0 0 439.581 3.551 50 0 IHAARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1 ZINC000013616078 556535357 /nfs/dbraw/zinc/53/53/57/556535357.db2.gz OMSTXPQIPSXPFQ-YQMDMEMYSA-N 0 0 435.863 3.691 50 0 IHAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000015607369 556537673 /nfs/dbraw/zinc/53/76/73/556537673.db2.gz BUQXTQRMYGBFSI-GFCCVEGCSA-N 0 0 426.357 3.974 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3nc4ccccc4o3)c2)C1 ZINC000032901886 556538254 /nfs/dbraw/zinc/53/82/54/556538254.db2.gz WMNWNFQYZWQISV-IYBDPMFKSA-N 0 0 427.526 3.771 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000015621303 556538886 /nfs/dbraw/zinc/53/88/86/556538886.db2.gz PDKPKVUVMGPLIA-CQSZACIVSA-N 0 0 437.359 3.725 50 0 IHAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1c(OC)cccc1OC ZINC000013630046 556539147 /nfs/dbraw/zinc/53/91/47/556539147.db2.gz RGKGTDYAGUCBCA-UHFFFAOYSA-N 0 0 428.441 3.631 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1F ZINC000032579590 556541530 /nfs/dbraw/zinc/54/15/30/556541530.db2.gz HAEISWRFRPAFIC-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1[C@H](C)NC(=O)c1ccco1 ZINC000032579620 556541980 /nfs/dbraw/zinc/54/19/80/556541980.db2.gz MEYPOWAUWKTUSL-ZDUSSCGKSA-N 0 0 431.493 3.560 50 0 IHAARN Cc1nn2c(nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c2C)c1-c1ccccc1 ZINC000004434593 556543924 /nfs/dbraw/zinc/54/39/24/556543924.db2.gz GFEXJBGBOCOIBE-UHFFFAOYSA-N 0 0 434.540 3.620 50 0 IHAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000015716713 556544618 /nfs/dbraw/zinc/54/46/18/556544618.db2.gz XKLOZOMKRZCKHC-UHFFFAOYSA-N 0 0 448.544 3.577 50 0 IHAARN C[C@@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)c2ccccc2N1C(=O)OC(C)(C)C ZINC000072303173 556547296 /nfs/dbraw/zinc/54/72/96/556547296.db2.gz WQYIVFIXYBDOIQ-MRXNPFEDSA-N 0 0 434.500 3.843 50 0 IHAARN COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000072303542 556547446 /nfs/dbraw/zinc/54/74/46/556547446.db2.gz OMIYCFHPFMGADQ-UZLBHIALSA-N 0 0 436.512 3.685 50 0 IHAARN COc1ccccc1-c1noc([C@H](C)NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000072303541 556547451 /nfs/dbraw/zinc/54/74/51/556547451.db2.gz OMIYCFHPFMGADQ-OXJNMPFZSA-N 0 0 436.512 3.685 50 0 IHAARN C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000015743890 556547880 /nfs/dbraw/zinc/54/78/80/556547880.db2.gz YWYITCXOYNOKPA-MRXNPFEDSA-N 0 0 440.487 3.732 50 0 IHAARN CCC(=O)Nc1nc2ccc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2s1 ZINC000032959647 556549264 /nfs/dbraw/zinc/54/92/64/556549264.db2.gz VGAMVYNHWSNUEB-UHFFFAOYSA-N 0 0 429.498 3.852 50 0 IHAARN Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1NC(=O)NCC(C)(C)C[C@@H](C)O ZINC000072304717 556549270 /nfs/dbraw/zinc/54/92/70/556549270.db2.gz RUXHQGARJRMQIH-IAGOWNOFSA-N 0 0 436.597 3.832 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)Nc1ccc(F)c(F)c1)c(=O)n2C ZINC000015779869 556551138 /nfs/dbraw/zinc/55/11/38/556551138.db2.gz DWXVHCBVXMNISN-UHFFFAOYSA-N 0 0 437.450 3.586 50 0 IHAARN CCOCCCC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000072305553 556553676 /nfs/dbraw/zinc/55/36/76/556553676.db2.gz QTGAGIYOTBBJTA-UHFFFAOYSA-N 0 0 425.348 3.961 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1C ZINC000033115320 556554888 /nfs/dbraw/zinc/55/48/88/556554888.db2.gz RXGRRSYKWSAQSE-OAQYLSRUSA-N 0 0 442.581 3.739 50 0 IHAARN Cc1nc(C)c(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)o2)s1 ZINC000032905929 556557035 /nfs/dbraw/zinc/55/70/35/556557035.db2.gz QHTZCPQUNNEFLP-UHFFFAOYSA-N 0 0 447.586 3.697 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1 ZINC000033274734 556559103 /nfs/dbraw/zinc/55/91/03/556559103.db2.gz QOKNPVHVRQFIIU-UHFFFAOYSA-N 0 0 436.961 3.634 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c1 ZINC000015867714 556559352 /nfs/dbraw/zinc/55/93/52/556559352.db2.gz ZWHFYVXWXLRTGI-UHFFFAOYSA-N 0 0 431.514 3.539 50 0 IHAARN Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccc(Cl)cc4Cl)n3n2)n1 ZINC000071282905 556559638 /nfs/dbraw/zinc/55/96/38/556559638.db2.gz AJOSLCJEYDZZGB-UHFFFAOYSA-N 0 0 430.299 3.805 50 0 IHAARN O=C(Nc1nncs1)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1 ZINC000015869170 556560016 /nfs/dbraw/zinc/56/00/16/556560016.db2.gz LWOAJSNQBILNEZ-UHFFFAOYSA-N 0 0 429.918 3.712 50 0 IHAARN CCOc1ccc(OCCNC(=O)CSc2nc(C3CC3)nc(C)c2C(C)=O)cc1 ZINC000032908181 556564236 /nfs/dbraw/zinc/56/42/36/556564236.db2.gz YKKJKVGJXZXINL-UHFFFAOYSA-N 0 0 429.542 3.551 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)cc1F ZINC000072308496 556565183 /nfs/dbraw/zinc/56/51/83/556565183.db2.gz BSPBGEVINZEFRD-ROUUACIJSA-N 0 0 444.526 3.553 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000072308319 556565941 /nfs/dbraw/zinc/56/59/41/556565941.db2.gz LWJSSJPFUHCFMP-HSZRJFAPSA-N 0 0 433.483 3.669 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3cccc(O)c3)cc2)cc1 ZINC000015947030 556567758 /nfs/dbraw/zinc/56/77/58/556567758.db2.gz MCSKHNDSKCANMF-UHFFFAOYSA-N 0 0 426.446 3.508 50 0 IHAARN O=C(CSc1nncs1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000072309253 556570480 /nfs/dbraw/zinc/57/04/80/556570480.db2.gz QYDRZKUUAKJFDE-UHFFFAOYSA-N 0 0 438.332 3.959 50 0 IHAARN CCC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1 ZINC000015686428 556572188 /nfs/dbraw/zinc/57/21/88/556572188.db2.gz ICIFXQKKCGHBFI-UHFFFAOYSA-N 0 0 449.320 3.886 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000015999062 556572466 /nfs/dbraw/zinc/57/24/66/556572466.db2.gz GNLHLFDVWOHLNE-WFASDCNBSA-N 0 0 427.498 3.795 50 0 IHAARN O=C(CCSc1nnc2scc(-c3ccccc3)n12)NCc1ccc2c(c1)OCO2 ZINC000001100448 556573732 /nfs/dbraw/zinc/57/37/32/556573732.db2.gz UFSXTLOZKIJTNN-UHFFFAOYSA-N 0 0 438.534 3.985 50 0 IHAARN COc1ccc(NC(=O)C2(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)CCCC2)cc1OC ZINC000072310326 556575843 /nfs/dbraw/zinc/57/58/43/556575843.db2.gz WOQOYYJUIVEDKM-AWEZNQCLSA-N 0 0 448.466 3.817 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](c2nnc3ccccn32)C(C)C)c1 ZINC000072310115 556579027 /nfs/dbraw/zinc/57/90/27/556579027.db2.gz GNSFFPOBRIKEIQ-IBGZPJMESA-N 0 0 435.557 3.862 50 0 IHAARN COc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)NCCCOC(C)C)cc1OC ZINC000034794544 556582499 /nfs/dbraw/zinc/58/24/99/556582499.db2.gz FJRPKJUHQZYZME-QFIPXVFZSA-N 0 0 426.557 3.562 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSc2n[nH]c(-c3ccc(OC)cc3)n2)n1 ZINC000016101357 556583025 /nfs/dbraw/zinc/58/30/25/556583025.db2.gz OCQUHWCJKKCQJA-UHFFFAOYSA-N 0 0 434.529 3.846 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)c(F)c1 ZINC000016111397 556583588 /nfs/dbraw/zinc/58/35/88/556583588.db2.gz DBSQKJDQWJMTRF-UHFFFAOYSA-N 0 0 432.879 3.805 50 0 IHAARN COC(=O)[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2OC)C([N+](=O)[O-])=C2CCCCN2[C@@]1(C)O ZINC000016121583 556584403 /nfs/dbraw/zinc/58/44/03/556584403.db2.gz RXVZXHIEEBHUIS-VCBZYWHSSA-N 0 0 445.299 3.571 50 0 IHAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000032912014 556585499 /nfs/dbraw/zinc/58/54/99/556585499.db2.gz CTUBIVIODFNHMZ-NRFANRHFSA-N 0 0 443.931 3.888 50 0 IHAARN CCOc1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000011102756 556585587 /nfs/dbraw/zinc/58/55/87/556585587.db2.gz XSBIMMDQDUSJDS-UHFFFAOYSA-N 0 0 439.537 3.961 50 0 IHAARN COc1cc(Br)c(CCNC(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000016172493 556586989 /nfs/dbraw/zinc/58/69/89/556586989.db2.gz XRACHIXRXFCOSA-UHFFFAOYSA-N 0 0 432.270 3.545 50 0 IHAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000032967432 556587691 /nfs/dbraw/zinc/58/76/91/556587691.db2.gz WHPAJJLBASYHDT-SFHVURJKSA-N 0 0 437.327 3.894 50 0 IHAARN Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@@H]3C)nc2-c2cccs2)cc1 ZINC000016311653 556599658 /nfs/dbraw/zinc/59/96/58/556599658.db2.gz QRGFGBXLXHHYNY-HOTGVXAUSA-N 0 0 433.541 3.770 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000032975528 556600107 /nfs/dbraw/zinc/60/01/07/556600107.db2.gz CPFAZAKENGMKHO-IRXDYDNUSA-N 0 0 448.491 3.749 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000032977930 556600655 /nfs/dbraw/zinc/60/06/55/556600655.db2.gz PNYHOFCMNTXONO-UHFFFAOYSA-N 0 0 432.958 3.713 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000032981844 556601093 /nfs/dbraw/zinc/60/10/93/556601093.db2.gz BCTFLCNTQJQUOR-MRXNPFEDSA-N 0 0 446.532 3.778 50 0 IHAARN C[C@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)COCc1ccccc1 ZINC000037356278 556601907 /nfs/dbraw/zinc/60/19/07/556601907.db2.gz IQOGGNTYAZFDCV-SFHVURJKSA-N 0 0 436.487 3.662 50 0 IHAARN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)N1CCC2(CC1)OCCO2 ZINC000032983545 556603465 /nfs/dbraw/zinc/60/34/65/556603465.db2.gz IWVMBISYLUUPMD-MOSHPQCFSA-N 0 0 440.883 3.691 50 0 IHAARN COc1ccccc1Cn1c(C(=O)N2CCOCC2)cc2scc(Br)c21 ZINC000037543418 556604811 /nfs/dbraw/zinc/60/48/11/556604811.db2.gz ULERDWXBUJDVQB-UHFFFAOYSA-N 0 0 435.343 3.995 50 0 IHAARN Fc1cc(CSc2nnnn2C[C@H]2CCCO2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000016411181 556606082 /nfs/dbraw/zinc/60/60/82/556606082.db2.gz PBYGPPFSJVVACV-QUCCMNQESA-N 0 0 428.489 3.891 50 0 IHAARN COc1ccc([C@@H](NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 ZINC000016476411 556610667 /nfs/dbraw/zinc/61/06/67/556610667.db2.gz LSNUDLYTTLOCRL-ISKFKSNPSA-N 0 0 430.508 3.599 50 0 IHAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(NC(C)=O)cc2)c3=O)cc1 ZINC000038487120 556612853 /nfs/dbraw/zinc/61/28/53/556612853.db2.gz SLKXDOWMCPPCEX-UHFFFAOYSA-N 0 0 448.504 3.731 50 0 IHAARN COc1ccc(N2CN(C[C@H]3CCCO3)Cn3c(=O)c(Cc4ccccc4)c(C)nc32)cc1 ZINC000038829981 556621268 /nfs/dbraw/zinc/62/12/68/556621268.db2.gz VIEGALFNFKBFEN-HSZRJFAPSA-N 0 0 446.551 3.699 50 0 IHAARN Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000016677918 556622904 /nfs/dbraw/zinc/62/29/04/556622904.db2.gz PWPZJGDXPKQFHM-IBGZPJMESA-N 0 0 443.594 3.684 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000016680194 556623493 /nfs/dbraw/zinc/62/34/93/556623493.db2.gz OOLABGIHHHEGPY-ZDUSSCGKSA-N 0 0 442.472 3.644 50 0 IHAARN CCNC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)CC(C)C ZINC000033709395 556625034 /nfs/dbraw/zinc/62/50/34/556625034.db2.gz XWWPNXZGKJBVPW-UHFFFAOYSA-N 0 0 438.521 3.790 50 0 IHAARN CCCCSCCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1 ZINC000005042926 556626753 /nfs/dbraw/zinc/62/67/53/556626753.db2.gz VIKOGPAQVNRBRV-UHFFFAOYSA-N 0 0 425.572 3.915 50 0 IHAARN O=C(CCC(=O)c1ccccc1)NCCC(=O)OCCOc1ccc(Br)cc1 ZINC000016695664 556628895 /nfs/dbraw/zinc/62/88/95/556628895.db2.gz XDOCCTCLPUOGJE-UHFFFAOYSA-N 0 0 448.313 3.541 50 0 IHAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@H]1C=C[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000037341934 556631946 /nfs/dbraw/zinc/63/19/46/556631946.db2.gz MYZGNJUAFVUAIP-MFEFFIJZSA-N 0 0 439.508 3.734 50 0 IHAARN CCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016742130 556635987 /nfs/dbraw/zinc/63/59/87/556635987.db2.gz IARSIGCNZQEYRO-HXUWFJFHSA-N 0 0 431.554 3.702 50 0 IHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)C2CC2)C(C)C)cc1OC ZINC000033854066 556642893 /nfs/dbraw/zinc/64/28/93/556642893.db2.gz LFCQSZCREOHJLY-UHFFFAOYSA-N 0 0 442.556 3.824 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN(C(=O)c2ccco2)C2CCCC2)C1 ZINC000037610217 556646358 /nfs/dbraw/zinc/64/63/58/556646358.db2.gz UFRCTRWOUFRULH-HXUWFJFHSA-N 0 0 446.931 3.624 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000038486962 556647620 /nfs/dbraw/zinc/64/76/20/556647620.db2.gz YBBILLZVUAWJTB-UHFFFAOYSA-N 0 0 442.504 3.977 50 0 IHAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1ccccc1 ZINC000016902952 556648822 /nfs/dbraw/zinc/64/88/22/556648822.db2.gz RDJRWEXZNAMDGE-CTNGQTDRSA-N 0 0 427.504 3.997 50 0 IHAARN COc1ccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000038487705 556650599 /nfs/dbraw/zinc/65/05/99/556650599.db2.gz XWPUPSBMDOVZBP-UHFFFAOYSA-N 0 0 433.899 3.964 50 0 IHAARN COc1ccc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 ZINC000017005833 556652687 /nfs/dbraw/zinc/65/26/87/556652687.db2.gz VYJLSUXPTXUEKS-JTQLQIEISA-N 0 0 426.238 3.789 50 0 IHAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000011758659 556653453 /nfs/dbraw/zinc/65/34/53/556653453.db2.gz FRLUHLQEXJCBDL-UHFFFAOYSA-N 0 0 426.889 3.603 50 0 IHAARN COc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000033011490 556659276 /nfs/dbraw/zinc/65/92/76/556659276.db2.gz RCIWJSJDMDDYHY-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccc(Cl)cc1 ZINC000033011592 556659610 /nfs/dbraw/zinc/65/96/10/556659610.db2.gz UFLKWZVRWINTCK-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3C)s2)cc1 ZINC000033012014 556660454 /nfs/dbraw/zinc/66/04/54/556660454.db2.gz PQUCOHRNBDDAIY-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccnc1Cl ZINC000017098670 556663562 /nfs/dbraw/zinc/66/35/62/556663562.db2.gz GZIHFJIZXREVMA-UHFFFAOYSA-N 0 0 433.921 3.665 50 0 IHAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccn(Cc4ccc(Br)cc4)n3)c12 ZINC000017103060 556666889 /nfs/dbraw/zinc/66/68/89/556666889.db2.gz FHKXSBDIIBLUIY-UHFFFAOYSA-N 0 0 439.317 3.845 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCC1 ZINC000044803405 556667839 /nfs/dbraw/zinc/66/78/39/556667839.db2.gz NOZMWLZTFDBNQH-UHFFFAOYSA-N 0 0 429.586 3.592 50 0 IHAARN Cc1nc2ccc(C(=O)NC[C@@H](c3cccnc3)S(=O)(=O)c3ccccc3)cc2nc1C ZINC000011907138 556671823 /nfs/dbraw/zinc/67/18/23/556671823.db2.gz BHEVXBXBXZRKKH-QHCPKHFHSA-N 0 0 446.532 3.587 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000011917068 556674420 /nfs/dbraw/zinc/67/44/20/556674420.db2.gz MTCQSUAYAMMYKI-SFHVURJKSA-N 0 0 428.485 3.619 50 0 IHAARN NC(=O)NC[C@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000032935680 556678434 /nfs/dbraw/zinc/67/84/34/556678434.db2.gz QAYGIYPXLZGXIY-OAHLLOKOSA-N 0 0 432.977 3.810 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011997223 556679163 /nfs/dbraw/zinc/67/91/63/556679163.db2.gz MBZKDMOMTIHFIH-IBGZPJMESA-N 0 0 443.569 3.539 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc(OC)c1OC ZINC000011999057 556679669 /nfs/dbraw/zinc/67/96/69/556679669.db2.gz UQZDOTASCGTLTD-UHFFFAOYSA-N 0 0 447.491 3.953 50 0 IHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325833 556680463 /nfs/dbraw/zinc/68/04/63/556680463.db2.gz DMIWCAGBVUPYJL-LJQANCHMSA-N 0 0 427.501 3.918 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000010629828 556683072 /nfs/dbraw/zinc/68/30/72/556683072.db2.gz GLNJYPMXYLKFGH-HNNXBMFYSA-N 0 0 436.331 3.860 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(F)c(F)c1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005577 556689636 /nfs/dbraw/zinc/68/96/36/556689636.db2.gz QVFLUKPKLZIBQY-CYBMUJFWSA-N 0 0 441.413 3.505 50 0 IHAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(C(C)=O)c4)c(C)n3n2)cc1 ZINC000046023843 556691185 /nfs/dbraw/zinc/69/11/85/556691185.db2.gz RUOZWAMGAXMQAT-UHFFFAOYSA-N 0 0 429.480 3.801 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)o2)cc1 ZINC000252670717 556694176 /nfs/dbraw/zinc/69/41/76/556694176.db2.gz LNIRKGOQIGTSCS-BHIFYINESA-N 0 0 429.520 3.856 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NCc3ccc(C)o3)CC2)c1C ZINC000033024186 556694834 /nfs/dbraw/zinc/69/48/34/556694834.db2.gz VUXNUQSSYLHNSZ-OAHLLOKOSA-N 0 0 443.544 3.514 50 0 IHAARN Cc1cc(Cc2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2)c(=O)[nH]n1 ZINC000033026627 556703195 /nfs/dbraw/zinc/70/31/95/556703195.db2.gz IFESFUJLGFWLMY-UHFFFAOYSA-N 0 0 448.342 3.541 50 0 IHAARN CC1(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC000019148054 556707186 /nfs/dbraw/zinc/70/71/86/556707186.db2.gz QSQCRDJDAVRZCU-OAQYLSRUSA-N 0 0 426.605 3.719 50 0 IHAARN Cc1csc(SCc2c3ccccc3oc2C(=O)NC2CCS(=O)(=O)CC2)n1 ZINC000071957860 556707793 /nfs/dbraw/zinc/70/77/93/556707793.db2.gz CVUDHWCKFXTODS-UHFFFAOYSA-N 0 0 436.580 3.797 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2)cc1 ZINC000013701651 556713562 /nfs/dbraw/zinc/71/35/62/556713562.db2.gz LAJLTWDVSHDGGF-UHFFFAOYSA-N 0 0 436.493 3.539 50 0 IHAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)COc1ccc(F)cc1 ZINC000033036362 556719287 /nfs/dbraw/zinc/71/92/87/556719287.db2.gz FOHUHMIXYAMMSV-UHFFFAOYSA-N 0 0 437.294 3.885 50 0 IHAARN Cc1ccc(C)c(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000033037798 556723397 /nfs/dbraw/zinc/72/33/97/556723397.db2.gz OPJYBPDZYDVMPB-UHFFFAOYSA-N 0 0 431.540 3.820 50 0 IHAARN O=C(Nc1nnc(C2CCCCC2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 ZINC000061717555 556723987 /nfs/dbraw/zinc/72/39/87/556723987.db2.gz QWVBSYYTCULGRY-SFHVURJKSA-N 0 0 427.574 3.941 50 0 IHAARN COc1cccc([C@@H]2[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC ZINC000061720274 556727801 /nfs/dbraw/zinc/72/78/01/556727801.db2.gz AVLSVUZUYBJDPZ-IFXJQAMLSA-N 0 0 425.510 3.780 50 0 IHAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)Cc1cccc(Cl)c1 ZINC000055211223 556737583 /nfs/dbraw/zinc/73/75/83/556737583.db2.gz BADOCOJWBSENKZ-FQEVSTJZSA-N 0 0 437.993 3.531 50 0 IHAARN Cc1c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cnccc21 ZINC000079025346 556737687 /nfs/dbraw/zinc/73/76/87/556737687.db2.gz SZXRXNNZCXHCPR-HNNXBMFYSA-N 0 0 439.479 3.589 50 0 IHAARN O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCC[C@@H]1c1ccccn1 ZINC000055568999 556742449 /nfs/dbraw/zinc/74/24/49/556742449.db2.gz DIKUMDGKCLEUDG-HSZRJFAPSA-N 0 0 449.530 3.898 50 0 IHAARN COc1ccc(-c2nc(CN(Cc3cccnc3)C[C@@H]3CCC(=O)N3)c(C)o2)c(C)c1C ZINC000055575952 556742769 /nfs/dbraw/zinc/74/27/69/556742769.db2.gz FHBFYFIMFNFHKU-FQEVSTJZSA-N 0 0 434.540 3.951 50 0 IHAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000019358494 556745568 /nfs/dbraw/zinc/74/55/68/556745568.db2.gz HMQRUVZRPYKCJS-LBPRGKRZSA-N 0 0 427.450 3.540 50 0 IHAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4c(ccn4CC(C)C)c3)C2=O)cc1 ZINC000206238561 556749258 /nfs/dbraw/zinc/74/92/58/556749258.db2.gz DYAGZFILGZDRFP-OAQYLSRUSA-N 0 0 448.523 3.755 50 0 IHAARN CCN(CC)C(=O)C1(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)CCCCC1 ZINC000058004899 556752308 /nfs/dbraw/zinc/75/23/08/556752308.db2.gz IAYVIXQNGOQNLP-UHFFFAOYSA-N 0 0 443.617 3.664 50 0 IHAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000011152446 556755130 /nfs/dbraw/zinc/75/51/30/556755130.db2.gz KTMZJAQIOPONFD-UHFFFAOYSA-N 0 0 433.578 3.509 50 0 IHAARN O=S(=O)(Cc1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096376045 556760432 /nfs/dbraw/zinc/76/04/32/556760432.db2.gz YYINOTNPSVWKDX-JJTKIYQPSA-N 0 0 439.986 3.639 50 0 IHAARN O=C(Nc1nnc(-c2ccccn2)s1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000058134927 556760531 /nfs/dbraw/zinc/76/05/31/556760531.db2.gz GLGLZBABZJHTNZ-UHFFFAOYSA-N 0 0 436.328 3.656 50 0 IHAARN O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000058144712 556761416 /nfs/dbraw/zinc/76/14/16/556761416.db2.gz LRLHHOKITZZVNU-KRWDZBQOSA-N 0 0 445.306 3.964 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cc(C)ccc2C)CC1 ZINC000061943401 556762450 /nfs/dbraw/zinc/76/24/50/556762450.db2.gz MLZSCKOMYDVMDW-UHFFFAOYSA-N 0 0 434.540 3.640 50 0 IHAARN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000058154601 556762501 /nfs/dbraw/zinc/76/25/01/556762501.db2.gz DPAMMKGSFOJVOU-SQNIBIBYSA-N 0 0 435.590 3.706 50 0 IHAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000062001430 556764388 /nfs/dbraw/zinc/76/43/88/556764388.db2.gz WSLYHBLZHKAIFW-UHFFFAOYSA-N 0 0 437.492 3.645 50 0 biogenic IHAARN COc1cc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc(OC)c1 ZINC000062007373 556765639 /nfs/dbraw/zinc/76/56/39/556765639.db2.gz DIGVFZKOBMXYFR-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058227553 556774090 /nfs/dbraw/zinc/77/40/90/556774090.db2.gz VMKMSGWUHWFQGD-INIZCTEOSA-N 0 0 428.496 3.886 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000058249324 556775812 /nfs/dbraw/zinc/77/58/12/556775812.db2.gz OTGJXOHDLRJNPA-OAQYLSRUSA-N 0 0 433.430 3.760 50 0 IHAARN Cc1sc(=O)n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1-c1ccc(F)cc1 ZINC000058292363 556777811 /nfs/dbraw/zinc/77/78/11/556777811.db2.gz OFGDFXWZZODKIC-UHFFFAOYSA-N 0 0 436.512 3.586 50 0 IHAARN CCOc1cc(Br)c(CC(=O)NCc2cn3ccsc3n2)cc1OCC ZINC000058305304 556779060 /nfs/dbraw/zinc/77/90/60/556779060.db2.gz GDXRLSVHFIVITK-UHFFFAOYSA-N 0 0 438.347 3.815 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@@H]2C)c1 ZINC000058357196 556782644 /nfs/dbraw/zinc/78/26/44/556782644.db2.gz CJPRDKCNJWHISJ-NWDGAFQWSA-N 0 0 436.281 3.912 50 0 IHAARN O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(-n2ccnc2)nc1 ZINC000058377969 556783982 /nfs/dbraw/zinc/78/39/82/556783982.db2.gz XFGQCVWIKULXEG-IBGZPJMESA-N 0 0 439.475 3.595 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000002661779 556802776 /nfs/dbraw/zinc/80/27/76/556802776.db2.gz LWNBEMMCIHJYOV-UHFFFAOYSA-N 0 0 430.917 3.888 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 ZINC000002725828 556803425 /nfs/dbraw/zinc/80/34/25/556803425.db2.gz MRLYEZNSKZARHJ-UZLBHIALSA-N 0 0 430.932 3.905 50 0 IHAARN CCOc1c(Cl)cc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1OC ZINC000059781429 556804412 /nfs/dbraw/zinc/80/44/12/556804412.db2.gz RKCSDJZYLITDRT-FQEVSTJZSA-N 0 0 430.932 3.900 50 0 IHAARN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000059855412 556805248 /nfs/dbraw/zinc/80/52/48/556805248.db2.gz SJVXEVRPFLYOCG-UHFFFAOYSA-N 0 0 436.331 3.722 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1Cl ZINC000003220454 556805505 /nfs/dbraw/zinc/80/55/05/556805505.db2.gz QVHYIYGCSJMVPQ-UHFFFAOYSA-N 0 0 449.894 3.783 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000003237609 556806498 /nfs/dbraw/zinc/80/64/98/556806498.db2.gz LZHAGHXZEZYOKW-ZDUSSCGKSA-N 0 0 448.306 3.975 50 0 IHAARN Cc1nn([C@@H](C)C(=O)N2CCCCCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057815 556807837 /nfs/dbraw/zinc/80/78/37/556807837.db2.gz LGCLJOYSKAORMN-IBGZPJMESA-N 0 0 444.539 3.645 50 0 IHAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OC ZINC000003314013 556809768 /nfs/dbraw/zinc/80/97/68/556809768.db2.gz LTISTSVWDJZFKG-LHUXKHBRSA-N 0 0 427.497 3.740 50 0 IHAARN COCCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202323 556809990 /nfs/dbraw/zinc/80/99/90/556809990.db2.gz FBTRXKUQYAYQJG-QGZVFWFLSA-N 0 0 439.299 3.915 50 0 IHAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1F ZINC000097940905 556810670 /nfs/dbraw/zinc/81/06/70/556810670.db2.gz VEZOBALNORPXMQ-UHFFFAOYSA-N 0 0 446.504 3.853 50 0 IHAARN CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000060381510 556812904 /nfs/dbraw/zinc/81/29/04/556812904.db2.gz ZVTCJRBYBUEHFS-UHFFFAOYSA-N 0 0 435.777 3.938 50 0 IHAARN CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000003345239 556813402 /nfs/dbraw/zinc/81/34/02/556813402.db2.gz FTBYXSHAUWXGTR-UHFFFAOYSA-N 0 0 446.525 3.781 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1C ZINC000003483686 556816525 /nfs/dbraw/zinc/81/65/25/556816525.db2.gz NAINBTRRVFEKMN-UHFFFAOYSA-N 0 0 427.284 3.588 50 0 IHAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000003493564 556816752 /nfs/dbraw/zinc/81/67/52/556816752.db2.gz JOQIXIDMSSJVFX-UHFFFAOYSA-N 0 0 448.342 3.536 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000033062763 556818043 /nfs/dbraw/zinc/81/80/43/556818043.db2.gz BLDFMWQRSXFRJA-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN O=C(OCCN1CCN(c2cc(C(F)(F)F)nc3c(Cl)cccc23)CC1)C1CC1 ZINC000063151005 556819771 /nfs/dbraw/zinc/81/97/71/556819771.db2.gz OPKOPXNGMCKWFS-UHFFFAOYSA-N 0 0 427.854 3.982 50 0 IHAARN Cc1ccc2nc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)cc(=O)n2c1 ZINC000033068154 556820675 /nfs/dbraw/zinc/82/06/75/556820675.db2.gz VCEKLESTSJKAGT-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN COCCn1c(CN(C)[C@H](C)c2ccccn2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000063848193 556822062 /nfs/dbraw/zinc/82/20/62/556822062.db2.gz KHBCHMLHYGUWJA-GOSISDBHSA-N 0 0 434.606 3.614 50 0 IHAARN CCOc1ccc(-n2ccn3c(CCCC(=O)Nc4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064591617 556825405 /nfs/dbraw/zinc/82/54/05/556825405.db2.gz URTGWOHCIXRKFC-UHFFFAOYSA-N 0 0 445.523 3.857 50 0 IHAARN COc1ccccc1-n1nnc(C(=O)Nc2ccccc2NC(C)=O)c1-c1ccncc1 ZINC000206647611 556825492 /nfs/dbraw/zinc/82/54/92/556825492.db2.gz UOGLIJXQSQOQNE-UHFFFAOYSA-N 0 0 428.452 3.549 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)c3nnn(Cc4ccccc4)c3-n3cccc3)c2c1 ZINC000206641880 556825801 /nfs/dbraw/zinc/82/58/01/556825801.db2.gz UAPSRZYAWSSSIA-UHFFFAOYSA-N 0 0 440.507 3.580 50 0 IHAARN CC(C)CCn1c(CN2CCN(C)C[C@@H]2c2ccccc2)cnc1S(=O)(=O)C(C)C ZINC000019595590 556830705 /nfs/dbraw/zinc/83/07/05/556830705.db2.gz BSRVMTRKTXAQHC-JOCHJYFZSA-N 0 0 432.634 3.600 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccccn1)cc2=O)Nc1ccc(F)cc1F ZINC000065305050 556832957 /nfs/dbraw/zinc/83/29/57/556832957.db2.gz VTUWTGYVGJABEI-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)nn2)n1 ZINC000065362098 556834066 /nfs/dbraw/zinc/83/40/66/556834066.db2.gz CXGVGXVDENZRSE-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)ncn2)n1 ZINC000065363725 556835153 /nfs/dbraw/zinc/83/51/53/556835153.db2.gz DBACNSRJKAIWEA-UHFFFAOYSA-N 0 0 427.512 3.786 50 0 IHAARN CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C ZINC000019644903 556839461 /nfs/dbraw/zinc/83/94/61/556839461.db2.gz MTJZQTONKNNFQN-UHFFFAOYSA-N 0 0 446.554 3.768 50 0 IHAARN COc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c(OC)cc1Cl ZINC000019648206 556841069 /nfs/dbraw/zinc/84/10/69/556841069.db2.gz IODRZPMWIZCOOV-UHFFFAOYSA-N 0 0 448.932 3.796 50 0 IHAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC ZINC000008943264 556852962 /nfs/dbraw/zinc/85/29/62/556852962.db2.gz NKJYUHPYRZKEQU-UHFFFAOYSA-N 0 0 446.569 3.758 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000033077039 556854228 /nfs/dbraw/zinc/85/42/28/556854228.db2.gz WHSCJIPTSQDCSW-UHFFFAOYSA-N 0 0 434.496 3.935 50 0 IHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)no1 ZINC000033086456 556857011 /nfs/dbraw/zinc/85/70/11/556857011.db2.gz ZOGMLPDATPJOCY-UHFFFAOYSA-N 0 0 440.569 3.735 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088684 556858092 /nfs/dbraw/zinc/85/80/92/556858092.db2.gz QHEAWCSYDFANAZ-UHFFFAOYSA-N 0 0 449.532 3.883 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000033106702 556859476 /nfs/dbraw/zinc/85/94/76/556859476.db2.gz ULCWFGRAFRRVCA-UHFFFAOYSA-N 0 0 440.547 3.985 50 0 IHAARN COc1cc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc(OC)c1 ZINC000033128280 556865240 /nfs/dbraw/zinc/86/52/40/556865240.db2.gz GTYUMZDHKMATIR-OAHLLOKOSA-N 0 0 425.510 3.677 50 0 IHAARN CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000033125020 556866306 /nfs/dbraw/zinc/86/63/06/556866306.db2.gz LLIKNPFAURTJHU-QGZVFWFLSA-N 0 0 438.503 3.932 50 0 IHAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000033125022 556866324 /nfs/dbraw/zinc/86/63/24/556866324.db2.gz LLIKNPFAURTJHU-KRWDZBQOSA-N 0 0 438.503 3.932 50 0 IHAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129724 556868879 /nfs/dbraw/zinc/86/88/79/556868879.db2.gz ARBSYEVXXPPYQB-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN CC1(C)CN(CC(=O)NC2CCCCCCC2)c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000033129819 556869220 /nfs/dbraw/zinc/86/92/20/556869220.db2.gz MVJFHKQDQGLKRN-UHFFFAOYSA-N 0 0 447.645 3.798 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1F ZINC000033129781 556869253 /nfs/dbraw/zinc/86/92/53/556869253.db2.gz LVCYWPPKLADVOM-UHFFFAOYSA-N 0 0 445.560 3.655 50 0 IHAARN CS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Br)cc3F)cc21 ZINC000033130237 556870115 /nfs/dbraw/zinc/87/01/15/556870115.db2.gz NTRVICBUOCMJSN-UHFFFAOYSA-N 0 0 428.283 3.554 50 0 IHAARN Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)c1=O ZINC000033171793 556882586 /nfs/dbraw/zinc/88/25/86/556882586.db2.gz WHYDJGYEZRFQMI-UHFFFAOYSA-N 0 0 442.494 3.702 50 0 IHAARN O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000033174694 556884281 /nfs/dbraw/zinc/88/42/81/556884281.db2.gz OHZAMBYUMMLEFH-UHFFFAOYSA-N 0 0 449.457 3.588 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3nc2N2CCCC2)cc1 ZINC000033251234 556892054 /nfs/dbraw/zinc/89/20/54/556892054.db2.gz OGIMMVZZGGOWRW-UHFFFAOYSA-N 0 0 428.492 3.817 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccc(C)cc5)n4n3)CC2)cc1 ZINC000033260269 556896940 /nfs/dbraw/zinc/89/69/40/556896940.db2.gz GCPULCFAIRSMQZ-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN Cc1ccsc1CN1CC(=O)N(Cc2csc(C)n2)C[C@H](OCc2ccncc2)C1 ZINC000019789864 556915013 /nfs/dbraw/zinc/91/50/13/556915013.db2.gz YEHPDFOUSGMURP-HXUWFJFHSA-N 0 0 442.610 3.646 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2C)cc1 ZINC000019810578 556918939 /nfs/dbraw/zinc/91/89/39/556918939.db2.gz HBVFLRWMXHPAGC-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817663 556920575 /nfs/dbraw/zinc/92/05/75/556920575.db2.gz QGSMOEHWBBGMMU-OAQYLSRUSA-N 0 0 427.464 3.557 50 0 IHAARN CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)Cc1ccc(-n2cccn2)cc1 ZINC000019835525 556928123 /nfs/dbraw/zinc/92/81/23/556928123.db2.gz PAFGWEJUASUKJY-UHFFFAOYSA-N 0 0 434.569 3.840 50 0 IHAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3nc4ccccc4n3C)CC2)c1 ZINC000019838849 556929156 /nfs/dbraw/zinc/92/91/56/556929156.db2.gz GJIXCRQNCGEASY-UHFFFAOYSA-N 0 0 448.567 3.861 50 0 IHAARN O=C(Cc1ccc2c(c1)OCO2)NCCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019852882 556930949 /nfs/dbraw/zinc/93/09/49/556930949.db2.gz KPZTXHMMFMZCHP-RUZDIDTESA-N 0 0 448.494 3.849 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859839 556932085 /nfs/dbraw/zinc/93/20/85/556932085.db2.gz AKHRSFIYTIWCNO-CYBMUJFWSA-N 0 0 428.888 3.799 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859840 556932120 /nfs/dbraw/zinc/93/21/20/556932120.db2.gz AKHRSFIYTIWCNO-ZDUSSCGKSA-N 0 0 428.888 3.799 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000019867624 556934865 /nfs/dbraw/zinc/93/48/65/556934865.db2.gz HMJURTSAHKMSOC-NRFANRHFSA-N 0 0 440.540 3.689 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN([C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000019877446 556936046 /nfs/dbraw/zinc/93/60/46/556936046.db2.gz ZQLRBDFBTJEEDC-HXUWFJFHSA-N 0 0 432.351 3.752 50 0 IHAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1F)C3 ZINC000019890899 556939207 /nfs/dbraw/zinc/93/92/07/556939207.db2.gz HNSHSNZIFSBVPX-UHFFFAOYSA-N 0 0 425.456 3.659 50 0 IHAARN CC(C)OC(=O)[C@H](Cc1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 ZINC000019911045 556943105 /nfs/dbraw/zinc/94/31/05/556943105.db2.gz IHCPBFYGCWDTAF-QFIPXVFZSA-N 0 0 433.504 3.997 50 0 IHAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccccc1 ZINC000019930619 556948417 /nfs/dbraw/zinc/94/84/17/556948417.db2.gz YLTSHVDQKADTBR-UHFFFAOYSA-N 0 0 434.452 3.569 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1cc(C)ccn1)C(F)(F)F ZINC000019944143 556954242 /nfs/dbraw/zinc/95/42/42/556954242.db2.gz IBGODQWFGQRTLC-INIZCTEOSA-N 0 0 436.217 3.970 50 0 IHAARN COc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)c(OC)c1 ZINC000033264320 556973990 /nfs/dbraw/zinc/97/39/90/556973990.db2.gz ZEBGPBUFQCPMLN-NRFANRHFSA-N 0 0 439.556 3.931 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000020095325 556979128 /nfs/dbraw/zinc/97/91/28/556979128.db2.gz LJFJGOUGDIEQHH-UHFFFAOYSA-N 0 0 445.519 3.831 50 0 IHAARN CN(CCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000011238753 556980493 /nfs/dbraw/zinc/98/04/93/556980493.db2.gz MAMDUYBKJJHWFN-UHFFFAOYSA-N 0 0 428.485 3.778 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1F ZINC000097096894 556984322 /nfs/dbraw/zinc/98/43/22/556984322.db2.gz NLGJSJKFHIMQHM-INIZCTEOSA-N 0 0 426.473 3.775 50 0 IHAARN COc1ccc(C(=O)N[C@H](N2CCN(c3ccccc3)CC2)C(Cl)(Cl)Cl)cc1 ZINC000020132218 556987680 /nfs/dbraw/zinc/98/76/80/556987680.db2.gz ZSIMECDYCMHTJB-LJQANCHMSA-N 0 0 442.774 3.944 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCN(C)C3 ZINC000020266211 557004817 /nfs/dbraw/zinc/00/48/17/557004817.db2.gz XZIFKDMANNCSOB-UHFFFAOYSA-N 0 0 428.583 3.505 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CN2C(=O)S/C(=C/c3cccs3)C2=O)n1 ZINC000096941420 557010023 /nfs/dbraw/zinc/01/00/23/557010023.db2.gz XKXNNWCVIFHVPJ-NTEUORMPSA-N 0 0 440.510 3.504 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 ZINC000011256953 557010352 /nfs/dbraw/zinc/01/03/52/557010352.db2.gz RPENYOJQCOCZHB-UHFFFAOYSA-N 0 0 438.553 3.728 50 0 IHAARN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000020392536 557012608 /nfs/dbraw/zinc/01/26/08/557012608.db2.gz ZJUSERPZVNELHV-RMKNXTFCSA-N 0 0 446.551 3.532 50 0 IHAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020421497 557015033 /nfs/dbraw/zinc/01/50/33/557015033.db2.gz AVBQNRANMVDEFX-UHFFFAOYSA-N 0 0 448.367 3.760 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000045986786 557016194 /nfs/dbraw/zinc/01/61/94/557016194.db2.gz HGXQDJCZQRUWDL-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc(C)c12 ZINC000045991738 557017354 /nfs/dbraw/zinc/01/73/54/557017354.db2.gz JJDDXWNDCFNQSK-KRWDZBQOSA-N 0 0 444.491 3.850 50 0 IHAARN CN1C2=C(C(=O)N(Cc3ccccn3)C2)[C@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000033717613 557019085 /nfs/dbraw/zinc/01/90/85/557019085.db2.gz WAFPHMQMQJWLDB-DEOSSOPVSA-N 0 0 440.503 3.653 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)NCc1ccc(F)cc1)nnc2C ZINC000023137855 557019770 /nfs/dbraw/zinc/01/97/70/557019770.db2.gz BLDFQMKHKVAOFU-UHFFFAOYSA-N 0 0 437.500 3.680 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc(C)c12 ZINC000046016815 557019851 /nfs/dbraw/zinc/01/98/51/557019851.db2.gz CEDCSDIGJNQLEX-UHFFFAOYSA-N 0 0 430.464 3.826 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 ZINC000010704986 557020015 /nfs/dbraw/zinc/02/00/15/557020015.db2.gz FRPJSGKKYZCQPQ-UHFFFAOYSA-N 0 0 448.588 3.713 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1nc(N)n[nH]1 ZINC000010715789 557020357 /nfs/dbraw/zinc/02/03/57/557020357.db2.gz DOAFHRSCTMYXQQ-UHFFFAOYSA-N 0 0 431.543 3.640 50 0 IHAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000023138462 557021762 /nfs/dbraw/zinc/02/17/62/557021762.db2.gz BZQOJKDUUZJPLP-UHFFFAOYSA-N 0 0 432.549 3.753 50 0 IHAARN COc1ccc(CCNC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)cc1 ZINC000023138695 557022048 /nfs/dbraw/zinc/02/20/48/557022048.db2.gz FEYVEBKUJUCWLX-KRWDZBQOSA-N 0 0 437.565 3.842 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1OC ZINC000032943984 557022388 /nfs/dbraw/zinc/02/23/88/557022388.db2.gz KUENLUFQZRXMPY-CYBMUJFWSA-N 0 0 448.566 3.742 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(COc4ccccc4)o3)C2)cc1C ZINC000023140411 557022722 /nfs/dbraw/zinc/02/27/22/557022722.db2.gz XLVXVRJTTVPQTH-GOSISDBHSA-N 0 0 427.526 3.834 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccccc4OC)CC3)s2)o1 ZINC000023139943 557022797 /nfs/dbraw/zinc/02/27/97/557022797.db2.gz FHHDEFFKGJBUKK-UHFFFAOYSA-N 0 0 446.554 3.545 50 0 IHAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000046027679 557023950 /nfs/dbraw/zinc/02/39/50/557023950.db2.gz ATHGVWOSUGIYCC-UHFFFAOYSA-N 0 0 441.528 3.828 50 0 IHAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C)sc3n2)cc1OC ZINC000046032386 557024597 /nfs/dbraw/zinc/02/45/97/557024597.db2.gz KNJDKNSCPDEPOJ-UHFFFAOYSA-N 0 0 436.537 3.679 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010752655 557025022 /nfs/dbraw/zinc/02/50/22/557025022.db2.gz UVZJLIPXVAZXON-OAHLLOKOSA-N 0 0 433.580 3.911 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1csc(-c2ccccc2)n1 ZINC000010776362 557025683 /nfs/dbraw/zinc/02/56/83/557025683.db2.gz DZYPNEIDAFAXAZ-UHFFFAOYSA-N 0 0 433.580 3.586 50 0 IHAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1C ZINC000046046588 557027739 /nfs/dbraw/zinc/02/77/39/557027739.db2.gz DBVPKPFQTLPTHZ-UHFFFAOYSA-N 0 0 431.964 3.753 50 0 IHAARN COc1cccc(OC)c1C(=O)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1F ZINC000046057167 557029054 /nfs/dbraw/zinc/02/90/54/557029054.db2.gz XJGRENNWJHTCKW-CYBMUJFWSA-N 0 0 427.407 3.785 50 0 IHAARN CN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058492 557029474 /nfs/dbraw/zinc/02/94/74/557029474.db2.gz ODRGOFSNMMOUFQ-QGZVFWFLSA-N 0 0 430.551 3.635 50 0 IHAARN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023157190 557029793 /nfs/dbraw/zinc/02/97/93/557029793.db2.gz AKELTRMTGRSHDJ-GOSISDBHSA-N 0 0 428.558 3.857 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000046074673 557031081 /nfs/dbraw/zinc/03/10/81/557031081.db2.gz VRSXBSITTVSJPS-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000046079128 557034119 /nfs/dbraw/zinc/03/41/19/557034119.db2.gz LFDPXXHQFJCPOR-UHFFFAOYSA-N 0 0 430.386 3.526 50 0 IHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000017190412 557035665 /nfs/dbraw/zinc/03/56/65/557035665.db2.gz GXAPLYFUKUGCNA-QHCPKHFHSA-N 0 0 447.510 3.848 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000046086008 557035749 /nfs/dbraw/zinc/03/57/49/557035749.db2.gz ZLQLADVMVWJUAU-RBUKOAKNSA-N 0 0 436.618 3.540 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(CC)cc2)n1 ZINC000046087011 557036256 /nfs/dbraw/zinc/03/62/56/557036256.db2.gz LXDSUQPOIMDLHV-UHFFFAOYSA-N 0 0 437.363 3.672 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(C(=O)COc3ccccc3)C2)s1 ZINC000046122930 557036498 /nfs/dbraw/zinc/03/64/98/557036498.db2.gz YHRHBYYOWONHOM-KRWDZBQOSA-N 0 0 436.537 3.884 50 0 IHAARN O=C(Cc1cccs1)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(F)c3)s2)C1 ZINC000046123259 557036876 /nfs/dbraw/zinc/03/68/76/557036876.db2.gz QJZRBFHDFZAHEU-ZDUSSCGKSA-N 0 0 430.530 3.940 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123605 557037086 /nfs/dbraw/zinc/03/70/86/557037086.db2.gz HNSIASNYAVXKSC-IRXDYDNUSA-N 0 0 436.537 3.964 50 0 IHAARN Cc1nc2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000032947302 557041726 /nfs/dbraw/zinc/04/17/26/557041726.db2.gz UXZVNWVAXPNXMF-MRXNPFEDSA-N 0 0 439.537 3.858 50 0 IHAARN CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000051357680 557044995 /nfs/dbraw/zinc/04/49/95/557044995.db2.gz YFMXGIBMWAIUAM-UHFFFAOYSA-N 0 0 429.904 3.654 50 0 IHAARN COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C ZINC000048234404 557046048 /nfs/dbraw/zinc/04/60/48/557046048.db2.gz AIEIXTDSTJWVLT-NTKDMRAZSA-N 0 0 446.551 3.811 50 0 IHAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc5c(c4)OCO5)n3)nc2c1 ZINC000033270879 557048135 /nfs/dbraw/zinc/04/81/35/557048135.db2.gz IAKWRYXVEGMLFM-UHFFFAOYSA-N 0 0 437.481 3.847 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1)Nc1ccc(F)cc1F ZINC000033270895 557048253 /nfs/dbraw/zinc/04/82/53/557048253.db2.gz NZIVSRJJYSZVGP-UHFFFAOYSA-N 0 0 442.451 3.997 50 0 IHAARN O=C(NCc1cccc(COCc2ccco2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048261342 557049270 /nfs/dbraw/zinc/04/92/70/557049270.db2.gz DXACPELIUPLMTG-OAQYLSRUSA-N 0 0 425.529 3.540 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(Cc1ccco1)C1=CCCCC1 ZINC000022930687 557049874 /nfs/dbraw/zinc/04/98/74/557049874.db2.gz ZZDWUUVFZUIERG-UHFFFAOYSA-N 0 0 437.540 3.613 50 0 IHAARN O=c1nc(CN[C@H](CN2CCOCC2)c2ccccc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000022930150 557049884 /nfs/dbraw/zinc/04/98/84/557049884.db2.gz JJAZLVYDYNCLRY-OAQYLSRUSA-N 0 0 446.576 3.815 50 0 IHAARN Cc1c(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000017303026 557051405 /nfs/dbraw/zinc/05/14/05/557051405.db2.gz JAHMNWCEAOVZGB-UHFFFAOYSA-N 0 0 434.540 3.541 50 0 IHAARN CN(CCc1noc(C(=O)NCc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000033273391 557051776 /nfs/dbraw/zinc/05/17/76/557051776.db2.gz FBWANKIEXCGGJG-UHFFFAOYSA-N 0 0 449.845 3.638 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccccc3)n2)cc1Cl ZINC000033273414 557051851 /nfs/dbraw/zinc/05/18/51/557051851.db2.gz FLBMBSWTASJXIB-UHFFFAOYSA-N 0 0 427.892 3.668 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)c1c(F)cccc1F ZINC000033273626 557052172 /nfs/dbraw/zinc/05/21/72/557052172.db2.gz BVCJYAJTXVIEAD-UHFFFAOYSA-N 0 0 440.450 3.566 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 ZINC000017306546 557052450 /nfs/dbraw/zinc/05/24/50/557052450.db2.gz KQUCMHPNBKHIHV-UHFFFAOYSA-N 0 0 439.493 3.762 50 0 IHAARN COc1ccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033272887 557052895 /nfs/dbraw/zinc/05/28/95/557052895.db2.gz FLLZSJZPTAWUAZ-UHFFFAOYSA-N 0 0 436.537 3.748 50 0 IHAARN COc1ccc(OCCN2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000022945887 557054331 /nfs/dbraw/zinc/05/43/31/557054331.db2.gz ZWLVMVSLCCYKAJ-UHFFFAOYSA-N 0 0 428.920 3.595 50 0 IHAARN CCc1cc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)n2nc(C)nc2n1 ZINC000033276047 557055015 /nfs/dbraw/zinc/05/50/15/557055015.db2.gz TYPPNLIHBVHZNL-UHFFFAOYSA-N 0 0 425.539 3.947 50 0 IHAARN Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 ZINC000048274409 557055729 /nfs/dbraw/zinc/05/57/29/557055729.db2.gz GHTASVCKMARHGV-NRFANRHFSA-N 0 0 432.480 3.967 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000010879129 557056660 /nfs/dbraw/zinc/05/66/60/557056660.db2.gz VFUBDJRYJLULEJ-UHFFFAOYSA-N 0 0 442.610 3.808 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1=O ZINC000023014362 557057897 /nfs/dbraw/zinc/05/78/97/557057897.db2.gz ABWOGMCLVGLYAO-UHFFFAOYSA-N 0 0 449.532 3.796 50 0 IHAARN Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277425 557059247 /nfs/dbraw/zinc/05/92/47/557059247.db2.gz RFTCGJKTAZKSFF-UHFFFAOYSA-N 0 0 447.564 3.835 50 0 IHAARN CCCCOc1ccc(CNC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)cc1 ZINC000033277685 557059550 /nfs/dbraw/zinc/05/95/50/557059550.db2.gz ZUVSBDABLMEAPO-UHFFFAOYSA-N 0 0 446.507 3.937 50 0 IHAARN O=C(CCn1cnc2c(-c3ccc(F)cc3)noc2c1=O)NCc1ccccc1Cl ZINC000033277788 557059802 /nfs/dbraw/zinc/05/98/02/557059802.db2.gz LLUHIKMKIDCZAU-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN O=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCN(c2ccccn2)CC1 ZINC000033279064 557061020 /nfs/dbraw/zinc/06/10/20/557061020.db2.gz ZPNQFLMJIQMVCL-UHFFFAOYSA-N 0 0 429.455 3.900 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)ncn2)c1C ZINC000082230475 557061422 /nfs/dbraw/zinc/06/14/22/557061422.db2.gz ROGYGTUJCMZTGF-UHFFFAOYSA-N 0 0 445.449 3.652 50 0 IHAARN O=C(CCSc1nnc(COc2ccccc2Cl)o1)NC(=O)NCc1ccccc1 ZINC000023074522 557061547 /nfs/dbraw/zinc/06/15/47/557061547.db2.gz HXOMPKJGSDBUKV-UHFFFAOYSA-N 0 0 446.916 3.810 50 0 IHAARN CCCCc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000048299945 557062046 /nfs/dbraw/zinc/06/20/46/557062046.db2.gz MQTZTFLGFVXFEL-QFIPXVFZSA-N 0 0 436.531 3.837 50 0 IHAARN O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000048300318 557062081 /nfs/dbraw/zinc/06/20/81/557062081.db2.gz UYBKCSJXMQZXGZ-UHFFFAOYSA-N 0 0 437.525 3.554 50 0 IHAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000023079947 557062467 /nfs/dbraw/zinc/06/24/67/557062467.db2.gz IYLNXCOAEWILIJ-GOEBONIOSA-N 0 0 443.594 3.921 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1OC ZINC000023081043 557062680 /nfs/dbraw/zinc/06/26/80/557062680.db2.gz MLVXXRYKQLOFAF-UHFFFAOYSA-N 0 0 437.477 3.733 50 0 IHAARN CCN(CC)c1nc2sc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cc2s1 ZINC000048302153 557063359 /nfs/dbraw/zinc/06/33/59/557063359.db2.gz QVUFXCOFMIATRK-UHFFFAOYSA-N 0 0 425.557 3.795 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(Cn4ccc(C(F)(F)F)n4)CC3)cs2)cc1 ZINC000048325197 557066004 /nfs/dbraw/zinc/06/60/04/557066004.db2.gz HDOFBLLXGQDIDE-UHFFFAOYSA-N 0 0 437.491 3.809 50 0 IHAARN CN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21)C[C@@H](O)c1ccccc1 ZINC000023129667 557066326 /nfs/dbraw/zinc/06/63/26/557066326.db2.gz SVHSGMGYAJJSQK-JOCHJYFZSA-N 0 0 448.592 3.876 50 0 IHAARN COC(=O)c1cn(CC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c2ccccc12 ZINC000048312301 557066910 /nfs/dbraw/zinc/06/69/10/557066910.db2.gz KDNRMCGHRFDZMV-AWEZNQCLSA-N 0 0 429.314 3.938 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c(C)c1 ZINC000033281961 557067817 /nfs/dbraw/zinc/06/78/17/557067817.db2.gz IYZVHWVJBFXQLQ-UHFFFAOYSA-N 0 0 446.477 3.917 50 0 IHAARN COc1ccc(-c2noc(-c3cc(N4CCC(C(N)=O)CC4)nc4ccccc43)n2)cc1 ZINC000033282532 557068035 /nfs/dbraw/zinc/06/80/35/557068035.db2.gz YFRQGXUSCGZOTI-UHFFFAOYSA-N 0 0 429.480 3.662 50 0 IHAARN COc1cccc(C(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1 ZINC000033282653 557068084 /nfs/dbraw/zinc/06/80/84/557068084.db2.gz AWHMQMWSAJFAJI-UHFFFAOYSA-N 0 0 425.916 3.997 50 0 IHAARN C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C[C@H](C)O1 ZINC000048333845 557068389 /nfs/dbraw/zinc/06/83/89/557068389.db2.gz HRSSLTNLZGNDLV-CALCHBBNSA-N 0 0 434.556 3.742 50 0 IHAARN CCCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3OCC)CC2)c1=O ZINC000033290639 557068910 /nfs/dbraw/zinc/06/89/10/557068910.db2.gz NZWJOGQLWOOECP-UHFFFAOYSA-N 0 0 449.555 3.996 50 0 IHAARN CCOCc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 ZINC000023150742 557069145 /nfs/dbraw/zinc/06/91/45/557069145.db2.gz QNBIIEHMQRVUSK-UHFFFAOYSA-N 0 0 443.588 3.756 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1)n1cncn1 ZINC000048332223 557069851 /nfs/dbraw/zinc/06/98/51/557069851.db2.gz VMIGVDXOQJDFEK-INIZCTEOSA-N 0 0 449.515 3.516 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(Cl)cc4)c3N)c(C)o2)cc1 ZINC000033291800 557069997 /nfs/dbraw/zinc/06/99/97/557069997.db2.gz QQLIXXRLUMTADG-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN CNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 ZINC000048342757 557071364 /nfs/dbraw/zinc/07/13/64/557071364.db2.gz CEZVAHCQOPMTET-UHFFFAOYSA-N 0 0 425.894 3.763 50 0 IHAARN CCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1 ZINC000033298549 557074489 /nfs/dbraw/zinc/07/44/89/557074489.db2.gz ZZFFMUKUBOBFCB-UHFFFAOYSA-N 0 0 432.568 3.887 50 0 IHAARN Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000023236411 557075936 /nfs/dbraw/zinc/07/59/36/557075936.db2.gz PXSFIBZGPAJVLS-INIZCTEOSA-N 0 0 436.537 3.510 50 0 IHAARN Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000033293608 557076358 /nfs/dbraw/zinc/07/63/58/557076358.db2.gz CEEURQRLTSOCDH-UWVJOHFNSA-N 0 0 435.461 3.582 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000011283931 557076718 /nfs/dbraw/zinc/07/67/18/557076718.db2.gz MBKNQYWXITYGLH-SJORKVTESA-N 0 0 438.499 3.587 50 0 IHAARN CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1Cl ZINC000048375496 557076763 /nfs/dbraw/zinc/07/67/63/557076763.db2.gz MKFWIFRKRVCGGD-UHFFFAOYSA-N 0 0 431.945 3.554 50 0 IHAARN Cc1ccc(NC(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1 ZINC000049002041 557081734 /nfs/dbraw/zinc/08/17/34/557081734.db2.gz ONYOWWLTDSYFGR-UHFFFAOYSA-N 0 0 440.503 3.582 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ncn3n2)cc1 ZINC000048986220 557082340 /nfs/dbraw/zinc/08/23/40/557082340.db2.gz DODWFNRUYFKLTB-UHFFFAOYSA-N 0 0 448.870 3.708 50 0 IHAARN CN(c1ccsc1C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000048986815 557082552 /nfs/dbraw/zinc/08/25/52/557082552.db2.gz PTRAAVUXHWJOTF-UHFFFAOYSA-N 0 0 430.507 3.597 50 0 IHAARN Cc1ccc(-c2cn(CC(=O)NCc3ccc(F)c(Cl)c3)nc2N2CCOCC2)cc1 ZINC000033300967 557082950 /nfs/dbraw/zinc/08/29/50/557082950.db2.gz VMEXNMVBCGHROB-UHFFFAOYSA-N 0 0 442.922 3.804 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000049006081 557084782 /nfs/dbraw/zinc/08/47/82/557084782.db2.gz AOIJTTQITABBRE-UHFFFAOYSA-N 0 0 442.878 3.828 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCSCC3)cc2)cc1 ZINC000049006002 557084786 /nfs/dbraw/zinc/08/47/86/557084786.db2.gz FUOFBWYONZGSKM-UHFFFAOYSA-N 0 0 436.537 3.761 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(N1CCCCCC1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000049006462 557085121 /nfs/dbraw/zinc/08/51/21/557085121.db2.gz CTCKXCHHDYQKPH-UHFFFAOYSA-N 0 0 437.496 3.570 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCCc2cccs2)s1 ZINC000033306483 557085261 /nfs/dbraw/zinc/08/52/61/557085261.db2.gz GWJYMYZMPSHKHE-FNORWQNLSA-N 0 0 437.568 3.756 50 0 IHAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)NCc1ccc2c(c1)OCO2 ZINC000049006731 557085475 /nfs/dbraw/zinc/08/54/75/557085475.db2.gz JBLZLNKMSMMBDQ-UHFFFAOYSA-N 0 0 442.928 3.879 50 0 IHAARN C[C@@H]1CN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C[C@H](C)O1 ZINC000023339647 557085668 /nfs/dbraw/zinc/08/56/68/557085668.db2.gz CCXDHPYOJIPQCH-CALCHBBNSA-N 0 0 438.959 3.795 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000010905075 557086993 /nfs/dbraw/zinc/08/69/93/557086993.db2.gz CHHVEQTWTIULGA-HXUWFJFHSA-N 0 0 426.561 3.812 50 0 IHAARN COc1ccc2cccc(NC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)[nH]n3)c2n1 ZINC000049027970 557088289 /nfs/dbraw/zinc/08/82/89/557088289.db2.gz UQULXVFJSJZNCQ-UHFFFAOYSA-N 0 0 434.452 3.912 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)nnn1-c1nc(-c2ccccc2)cs1 ZINC000049032519 557089568 /nfs/dbraw/zinc/08/95/68/557089568.db2.gz FGQCUKPMHOHFLE-UHFFFAOYSA-N 0 0 448.527 3.801 50 0 IHAARN Cn1cnnc1SCCNC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 ZINC000049032330 557089733 /nfs/dbraw/zinc/08/97/33/557089733.db2.gz UNRMSHHYRHMZHT-UHFFFAOYSA-N 0 0 441.538 3.633 50 0 IHAARN O=C(Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000033309041 557090170 /nfs/dbraw/zinc/09/01/70/557090170.db2.gz QURFHMSGHIINDR-UHFFFAOYSA-N 0 0 448.241 3.768 50 0 IHAARN Cc1cc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2-c2cccnc2)ccc1F ZINC000049003677 557091699 /nfs/dbraw/zinc/09/16/99/557091699.db2.gz QQVRXIQNOQACIO-UHFFFAOYSA-N 0 0 431.427 3.800 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1OC ZINC000049003670 557091717 /nfs/dbraw/zinc/09/17/17/557091717.db2.gz SJPUGXVOBYEDRA-UHFFFAOYSA-N 0 0 443.507 3.893 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000023434032 557092204 /nfs/dbraw/zinc/09/22/04/557092204.db2.gz MPKAVTDFKIZZPP-DNVCBOLYSA-N 0 0 441.553 3.723 50 0 IHAARN CC(C)Oc1ccc(-c2noc(Cn3ncn4nc(-c5cccs5)cc4c3=O)n2)cc1 ZINC000049004370 557092563 /nfs/dbraw/zinc/09/25/63/557092563.db2.gz XZGZENIRJPSISV-UHFFFAOYSA-N 0 0 434.481 3.505 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1)c1ccccc1Cl ZINC000049406203 557095081 /nfs/dbraw/zinc/09/50/81/557095081.db2.gz OWUAQSCEPVINEE-UHFFFAOYSA-N 0 0 444.322 3.609 50 0 IHAARN O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1nc2ccc(Cl)cc2s1 ZINC000049390758 557095084 /nfs/dbraw/zinc/09/50/84/557095084.db2.gz RXEUKWDJFMQGQT-UHFFFAOYSA-N 0 0 444.900 3.602 50 0 IHAARN COc1ccc(CNC(=O)c2c(C)sc3ncnc(N4CCCCC4)c32)c(OC)c1 ZINC000033312606 557096028 /nfs/dbraw/zinc/09/60/28/557096028.db2.gz MMFYSOISBWSLDC-UHFFFAOYSA-N 0 0 426.542 3.937 50 0 IHAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCCCOC(C)C)CC3)ncn2)cc1 ZINC000033312017 557096116 /nfs/dbraw/zinc/09/61/16/557096116.db2.gz TYZRFFFZXJPJRV-UHFFFAOYSA-N 0 0 426.561 3.979 50 0 IHAARN C[C@H](NC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccc(F)cc1 ZINC000033312898 557097510 /nfs/dbraw/zinc/09/75/10/557097510.db2.gz SBBIODNPSLKWHA-DFBJGRDBSA-N 0 0 437.559 3.861 50 0 IHAARN CCc1ccc(CNC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312903 557097627 /nfs/dbraw/zinc/09/76/27/557097627.db2.gz LGRFZTTZSFJMFX-AREMUKBSSA-N 0 0 433.596 3.723 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccccc1Cl)N=C(C(=O)N1CCCCC1)S2(=O)=O ZINC000049402692 557097925 /nfs/dbraw/zinc/09/79/25/557097925.db2.gz WXLWLVUSBVVYLY-UHFFFAOYSA-N 0 0 431.945 3.768 50 0 IHAARN Cc1nc(-c2cc3ccccc3nc2N2CCN(C(=O)COc3cccc(C)c3)CC2)no1 ZINC000033318232 557099678 /nfs/dbraw/zinc/09/96/78/557099678.db2.gz GUNCICIUVFFQKY-UHFFFAOYSA-N 0 0 443.507 3.629 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(OC)c3)c3ccc(F)cc3)cccn12 ZINC000049404934 557100034 /nfs/dbraw/zinc/10/00/34/557100034.db2.gz ZBBGNINJCKRTJD-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(F)c(F)c3)cccn12 ZINC000049405186 557100364 /nfs/dbraw/zinc/10/03/64/557100364.db2.gz RGXCZWMIZLFZGD-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NCc1ccc2c(c1)OCO2 ZINC000049405628 557100977 /nfs/dbraw/zinc/10/09/77/557100977.db2.gz QTEKBLLMFRDELN-UHFFFAOYSA-N 0 0 446.488 3.936 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)c1C ZINC000085620639 557102264 /nfs/dbraw/zinc/10/22/64/557102264.db2.gz FHPVPFSBGPLLCF-KRWDZBQOSA-N 0 0 445.947 3.630 50 0 IHAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000049408338 557103129 /nfs/dbraw/zinc/10/31/29/557103129.db2.gz DAMWWDPJUPBWAS-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN O=C(CCC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1)c1ccc(Cl)cc1 ZINC000585147186 557104222 /nfs/dbraw/zinc/10/42/22/557104222.db2.gz WGGCHMAHUOALMO-HNNXBMFYSA-N 0 0 438.709 3.535 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 ZINC000049410333 557105528 /nfs/dbraw/zinc/10/55/28/557105528.db2.gz SPSKMLHSJHEFBA-UHFFFAOYSA-N 0 0 443.236 3.530 50 0 IHAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccc(Cl)cc1 ZINC000049411540 557106887 /nfs/dbraw/zinc/10/68/87/557106887.db2.gz WVGWPJKSBBYTHP-UHFFFAOYSA-N 0 0 446.891 3.613 50 0 IHAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)Nc3cc(C)cc(C)c3)CCC2)cc1 ZINC000033324810 557106994 /nfs/dbraw/zinc/10/69/94/557106994.db2.gz IPELZNSKZZOLOO-UHFFFAOYSA-N 0 0 427.508 3.611 50 0 IHAARN COCCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000017674163 557107143 /nfs/dbraw/zinc/10/71/43/557107143.db2.gz LSHRUCVVEFSMCY-SFHVURJKSA-N 0 0 431.945 3.618 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421049 557107513 /nfs/dbraw/zinc/10/75/13/557107513.db2.gz FEPYSBSYGRMNNP-CYBMUJFWSA-N 0 0 428.533 3.922 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000033326406 557108384 /nfs/dbraw/zinc/10/83/84/557108384.db2.gz IWLMCHJJOACKNP-LJQANCHMSA-N 0 0 435.592 3.858 50 0 IHAARN O=C(NC1CC1)[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccccc1 ZINC000017718307 557111249 /nfs/dbraw/zinc/11/12/49/557111249.db2.gz NISJYUMLDOJTPR-QFIPXVFZSA-N 0 0 433.581 3.975 50 0 IHAARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049546419 557111726 /nfs/dbraw/zinc/11/17/26/557111726.db2.gz GAGDOJAIZIQFAF-HNNXBMFYSA-N 0 0 426.494 3.673 50 0 IHAARN COc1ccc(C(=O)Nc2sc(Nc3cc(C)ccc3C)nc2C(N)=O)cc1OC ZINC000033328652 557112345 /nfs/dbraw/zinc/11/23/45/557112345.db2.gz GQWJBVKXSCADRB-UHFFFAOYSA-N 0 0 426.498 3.872 50 0 IHAARN CN(C)C(=O)[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000017726367 557112595 /nfs/dbraw/zinc/11/25/95/557112595.db2.gz AENABFUBLLEXRL-IBGZPJMESA-N 0 0 435.446 3.690 50 0 IHAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cccc(Cl)c1 ZINC000049549768 557112983 /nfs/dbraw/zinc/11/29/83/557112983.db2.gz IVXQGNXBAUTTMC-UHFFFAOYSA-N 0 0 432.705 3.643 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1cnc2ccccc2c1=O ZINC000023742500 557113102 /nfs/dbraw/zinc/11/31/02/557113102.db2.gz JJQVHTPHHQLWCE-UHFFFAOYSA-N 0 0 449.514 3.908 50 0 IHAARN Cc1cc(C)n(-c2nnc3c4ccccc4n([C@@H](C)C(=O)NCc4cccs4)c3n2)n1 ZINC000033330851 557114245 /nfs/dbraw/zinc/11/42/45/557114245.db2.gz GOUUWSSCTPHKEF-HNNXBMFYSA-N 0 0 431.525 3.721 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1 ZINC000011370040 557114912 /nfs/dbraw/zinc/11/49/12/557114912.db2.gz DCRPOEOPVYPWSX-UHFFFAOYSA-N 0 0 443.493 3.655 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000023762011 557114938 /nfs/dbraw/zinc/11/49/38/557114938.db2.gz QDJJWSJVANMUKM-QHCPKHFHSA-N 0 0 444.959 3.735 50 0 IHAARN COc1ccccc1N1CCN(C(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000033334485 557118967 /nfs/dbraw/zinc/11/89/67/557118967.db2.gz NSDPNJBDLLIMHE-BSYVCWPDSA-N 0 0 441.531 3.815 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)NCc1ccc(F)c(Cl)c1 ZINC000085823517 557120375 /nfs/dbraw/zinc/12/03/75/557120375.db2.gz IEEOFVKEIJOWLT-QHCPKHFHSA-N 0 0 443.950 3.707 50 0 IHAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1CN1CCOCC1 ZINC000023881056 557122751 /nfs/dbraw/zinc/12/27/51/557122751.db2.gz FFQMKVZBTGJUMQ-UHFFFAOYSA-N 0 0 444.531 3.659 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc3)ccc12 ZINC000017811116 557123710 /nfs/dbraw/zinc/12/37/10/557123710.db2.gz IQRDRIJXZGNXLD-UHFFFAOYSA-N 0 0 436.508 3.667 50 0 IHAARN Cc1cc2occ(CC(=O)NCCCN3CCN(c4ncccn4)CC3)c2cc1C(C)C ZINC000023894333 557124200 /nfs/dbraw/zinc/12/42/00/557124200.db2.gz QPPROFVORNGLRX-UHFFFAOYSA-N 0 0 435.572 3.526 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023907594 557124334 /nfs/dbraw/zinc/12/43/34/557124334.db2.gz ARYGCMBMOGBXLH-UHFFFAOYSA-N 0 0 427.504 3.528 50 0 IHAARN CCOc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000000645257 557124493 /nfs/dbraw/zinc/12/44/93/557124493.db2.gz CRYDQXODHKANFC-UHFFFAOYSA-N 0 0 430.570 3.623 50 0 IHAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCCN(C)c2ccccc2)cc1 ZINC000017827080 557124881 /nfs/dbraw/zinc/12/48/81/557124881.db2.gz IWEOWRBQZMKJJA-UHFFFAOYSA-N 0 0 425.558 3.649 50 0 IHAARN O=C(Nc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1)c1cccs1 ZINC000023908637 557125091 /nfs/dbraw/zinc/12/50/91/557125091.db2.gz YDVZRDUVXFFAFZ-OAQYLSRUSA-N 0 0 435.549 3.804 50 0 IHAARN CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000023908523 557125155 /nfs/dbraw/zinc/12/51/55/557125155.db2.gz WPWTVIVORCSFFQ-XMMPIXPASA-N 0 0 435.480 3.580 50 0 IHAARN CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)cc2)c1 ZINC000017837583 557125256 /nfs/dbraw/zinc/12/52/56/557125256.db2.gz COHIZIAGUICCGH-UHFFFAOYSA-N 0 0 448.722 3.641 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2C1=O ZINC000017836954 557125265 /nfs/dbraw/zinc/12/52/65/557125265.db2.gz OQJHUWATHGEELM-CALCHBBNSA-N 0 0 434.492 3.742 50 0 IHAARN O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846089 557125467 /nfs/dbraw/zinc/12/54/67/557125467.db2.gz OVYFXQJCDUDFLL-UHFFFAOYSA-N 0 0 432.611 3.695 50 0 IHAARN CSCc1c2ccccc2oc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846095 557125642 /nfs/dbraw/zinc/12/56/42/557125642.db2.gz CVJGMPHTMJOXIN-UHFFFAOYSA-N 0 0 444.578 3.584 50 0 IHAARN COc1ccc(-c2nc(COC(=O)c3ccccc3S(C)(=O)=O)cs2)cc1OC ZINC000023974880 557128752 /nfs/dbraw/zinc/12/87/52/557128752.db2.gz YAHRFGQUWNITEB-UHFFFAOYSA-N 0 0 433.507 3.588 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000015997173 557129402 /nfs/dbraw/zinc/12/94/02/557129402.db2.gz IVIZFPPZXFBPMZ-ODAXIHTASA-N 0 0 439.446 3.587 50 0 IHAARN CN(CCCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1cccs1 ZINC000011375211 557129462 /nfs/dbraw/zinc/12/94/62/557129462.db2.gz XGJRDAYBJHJOSX-UHFFFAOYSA-N 0 0 435.340 3.689 50 0 IHAARN O=C(COCc1nc2ccccc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023994680 557130593 /nfs/dbraw/zinc/13/05/93/557130593.db2.gz LVZBQZZDGHNWKE-UHFFFAOYSA-N 0 0 438.578 3.767 50 0 IHAARN CC(C)CNc1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000011389824 557137968 /nfs/dbraw/zinc/13/79/68/557137968.db2.gz ZFDKYKAZJVTULB-UHFFFAOYSA-N 0 0 433.603 3.575 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000024183652 557140091 /nfs/dbraw/zinc/14/00/91/557140091.db2.gz LENXLUBCSXPFLR-ZDUSSCGKSA-N 0 0 438.899 3.929 50 0 IHAARN COc1ccc(CN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000707689 557140683 /nfs/dbraw/zinc/14/06/83/557140683.db2.gz AJYDNWVASUCXNO-QFIPXVFZSA-N 0 0 432.451 3.809 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000024216570 557141467 /nfs/dbraw/zinc/14/14/67/557141467.db2.gz FXGSWWODJYUMEA-NRFANRHFSA-N 0 0 429.948 3.939 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(C)cc(N4CCCCC4)n3)s2)cs1 ZINC000206721629 557141929 /nfs/dbraw/zinc/14/19/29/557141929.db2.gz ZXAMJSNGAOPNLA-UHFFFAOYSA-N 0 0 449.627 3.747 50 0 IHAARN COC(=O)c1cccc(OS(=O)(=O)c2cc(Cl)cc(Br)c2OC)c1 ZINC000024263600 557142341 /nfs/dbraw/zinc/14/23/41/557142341.db2.gz PWAZNYATNDBCTO-UHFFFAOYSA-N 0 0 435.679 3.665 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000024280469 557142987 /nfs/dbraw/zinc/14/29/87/557142987.db2.gz QILLBXFWTWQCIN-ZDUSSCGKSA-N 0 0 444.450 3.740 50 0 IHAARN CCCn1c(C)cc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC)c3)n2)c1C ZINC000010943018 557144812 /nfs/dbraw/zinc/14/48/12/557144812.db2.gz XAGQEEMURNPPDY-UHFFFAOYSA-N 0 0 432.571 3.799 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000024381912 557146043 /nfs/dbraw/zinc/14/60/43/557146043.db2.gz PSZDCCGALVHZOE-RTWAWAEBSA-N 0 0 430.552 3.857 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000024396064 557146260 /nfs/dbraw/zinc/14/62/60/557146260.db2.gz JJOXVHSEWDMKPT-UHFFFAOYSA-N 0 0 449.599 3.548 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000000713070 557146710 /nfs/dbraw/zinc/14/67/10/557146710.db2.gz IOPZZFSGSALNFY-KRWDZBQOSA-N 0 0 444.372 3.903 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)COc2c(C)cc(Br)cc2Cl)CC1 ZINC000024470234 557147705 /nfs/dbraw/zinc/14/77/05/557147705.db2.gz OLDUGVLFBHJEQN-UHFFFAOYSA-N 0 0 433.730 3.527 50 0 IHAARN COc1ccc(NC(=O)COC(=O)c2ccccc2I)cc1Cl ZINC000011439339 557147688 /nfs/dbraw/zinc/14/76/88/557147688.db2.gz PXMSQKVWJQETIG-UHFFFAOYSA-N 0 0 445.640 3.749 50 0 IHAARN O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCN(c2nccs2)CC1 ZINC000024497928 557148760 /nfs/dbraw/zinc/14/87/60/557148760.db2.gz XIBTYFVRYXURCQ-UHFFFAOYSA-N 0 0 440.529 3.554 50 0 IHAARN COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)ccc1N1CCCC1=O ZINC000011447273 557149130 /nfs/dbraw/zinc/14/91/30/557149130.db2.gz ISLIIXHQKGTFJH-HNNXBMFYSA-N 0 0 439.537 3.536 50 0 IHAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024570683 557151527 /nfs/dbraw/zinc/15/15/27/557151527.db2.gz BEECSQYBNZNTRS-LBPRGKRZSA-N 0 0 443.431 3.809 50 0 IHAARN COc1ccc(CN(C)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F ZINC000024584955 557152302 /nfs/dbraw/zinc/15/23/02/557152302.db2.gz VRDSQBOKKKBKBK-SANMLTNESA-N 0 0 447.510 3.914 50 0 IHAARN CCCn1c(NC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)nc2ccccc21 ZINC000024597231 557152547 /nfs/dbraw/zinc/15/25/47/557152547.db2.gz YCWMQBYHQSMCOT-UHFFFAOYSA-N 0 0 445.405 3.702 50 0 IHAARN Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000024606312 557153082 /nfs/dbraw/zinc/15/30/82/557153082.db2.gz UIGPDHALEHGDCG-UHFFFAOYSA-N 0 0 438.640 3.507 50 0 IHAARN COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c(OC)c1 ZINC000024607812 557153625 /nfs/dbraw/zinc/15/36/25/557153625.db2.gz GOKHEAKXWFDIAX-UHFFFAOYSA-N 0 0 442.468 3.657 50 0 IHAARN COc1ccc(OC)c(/C=C2/N=C(c3ccc(I)cc3)OC2=O)c1 ZINC000000725784 557154623 /nfs/dbraw/zinc/15/46/23/557154623.db2.gz ZNEVIQLWGZXSRX-XNTDXEJSSA-N 0 0 435.217 3.653 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)o1 ZINC000010954942 557157574 /nfs/dbraw/zinc/15/75/74/557157574.db2.gz ZJERFRSTGPBPQH-SZNDQCEHSA-N 0 0 433.420 3.972 50 0 IHAARN COc1ccc(-c2nc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cs2)cc1OC ZINC000024661158 557158049 /nfs/dbraw/zinc/15/80/49/557158049.db2.gz DZWLJUHLBIPFHU-OAHLLOKOSA-N 0 0 426.494 3.739 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000004816158 557160235 /nfs/dbraw/zinc/16/02/35/557160235.db2.gz HDEGFTGIXYLFDK-WMZOPIPTSA-N 0 0 429.590 3.575 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1 ZINC000011534525 557160621 /nfs/dbraw/zinc/16/06/21/557160621.db2.gz JRDBMAGEBMMCRQ-IBGZPJMESA-N 0 0 433.339 3.754 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000024808724 557168382 /nfs/dbraw/zinc/16/83/82/557168382.db2.gz YLZHKBWWIKLMTL-ZSEKCTLFSA-N 0 0 449.338 3.533 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c4ncccc34)C2)s1 ZINC000024832587 557171026 /nfs/dbraw/zinc/17/10/26/557171026.db2.gz GGCVFWHTGCELAR-MRXNPFEDSA-N 0 0 429.567 3.953 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000024924571 557179557 /nfs/dbraw/zinc/17/95/57/557179557.db2.gz UUFFBQVLJSMZGK-UHFFFAOYSA-N 0 0 444.509 3.678 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2C)cc1OC ZINC000009095818 557181466 /nfs/dbraw/zinc/18/14/66/557181466.db2.gz DMILJZAIPSNLRC-UHFFFAOYSA-N 0 0 434.905 3.589 50 0 IHAARN Cn1cc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c2ccccc21 ZINC000009095936 557181862 /nfs/dbraw/zinc/18/18/62/557181862.db2.gz CCMAOOWLDIESMY-UHFFFAOYSA-N 0 0 437.500 3.602 50 0 IHAARN COc1ccc(OCCSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000009262805 557184467 /nfs/dbraw/zinc/18/44/67/557184467.db2.gz QVEIAPFOKQQLPK-UHFFFAOYSA-N 0 0 432.933 3.578 50 0 IHAARN CC[C@@H](Sc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccccc1 ZINC000009302500 557185510 /nfs/dbraw/zinc/18/55/10/557185510.db2.gz MIYBOWCHVYBRFE-KBXCAEBGSA-N 0 0 441.532 3.955 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000024984783 557186188 /nfs/dbraw/zinc/18/61/88/557186188.db2.gz YMANWECCLDAVBN-SFHVURJKSA-N 0 0 448.592 3.528 50 0 IHAARN COc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1C ZINC000009329037 557187307 /nfs/dbraw/zinc/18/73/07/557187307.db2.gz PDRPGSNZGVXHPJ-ZDUSSCGKSA-N 0 0 433.559 3.595 50 0 IHAARN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C(Cl)=C/c1ccccc1)CC2 ZINC000014744791 557189446 /nfs/dbraw/zinc/18/94/46/557189446.db2.gz DSOZTTRAHLJEDB-SILNSSARSA-N 0 0 438.959 3.980 50 0 IHAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000025045735 557190443 /nfs/dbraw/zinc/19/04/43/557190443.db2.gz DKRSVHXOPGTPLV-GOSISDBHSA-N 0 0 438.524 3.701 50 0 IHAARN Cc1cccc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000025057100 557192361 /nfs/dbraw/zinc/19/23/61/557192361.db2.gz KQYKXBXHYNCUKD-SFHVURJKSA-N 0 0 428.554 3.526 50 0 IHAARN CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)Cc1ccc(Br)cc1F ZINC000072232391 557194525 /nfs/dbraw/zinc/19/45/25/557194525.db2.gz CNLYTWCSJWAARU-OAHLLOKOSA-N 0 0 444.322 3.580 50 0 IHAARN COC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000100876376 557197694 /nfs/dbraw/zinc/19/76/94/557197694.db2.gz BLZNENZSJLUAAS-QMHRBKNCSA-N 0 0 431.311 3.779 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000025170457 557198253 /nfs/dbraw/zinc/19/82/53/557198253.db2.gz YMMQLESBVDLPHQ-UHFFFAOYSA-N 0 0 433.537 3.847 50 0 IHAARN O=C1C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096316572 557198478 /nfs/dbraw/zinc/19/84/78/557198478.db2.gz AIPMLXQHSUKNLN-GOSISDBHSA-N 0 0 448.748 3.557 50 0 IHAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000010979412 557199373 /nfs/dbraw/zinc/19/93/73/557199373.db2.gz RVJMXFQEZQHYMP-UHFFFAOYSA-N 0 0 430.448 3.909 50 0 IHAARN COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000025184963 557199448 /nfs/dbraw/zinc/19/94/48/557199448.db2.gz HLWBMPGGCKTWOK-UHFFFAOYSA-N 0 0 426.469 3.780 50 0 IHAARN O=C(NC(=S)NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000025325916 557204053 /nfs/dbraw/zinc/20/40/53/557204053.db2.gz IUMSDUYEOJRBNU-HNNXBMFYSA-N 0 0 444.409 3.733 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100949077 557206103 /nfs/dbraw/zinc/20/61/03/557206103.db2.gz PMKYGGLEQLWWKE-DYESRHJHSA-N 0 0 441.553 3.510 50 0 IHAARN O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000025369330 557206297 /nfs/dbraw/zinc/20/62/97/557206297.db2.gz FMZMHKDZWXACFQ-UHFFFAOYSA-N 0 0 437.846 3.545 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc21 ZINC000011598561 557207324 /nfs/dbraw/zinc/20/73/24/557207324.db2.gz KKLGYPUICUAMSQ-UHFFFAOYSA-N 0 0 439.562 3.948 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)NCCCn2cnc3ccccc32)[C@H]1c1ccc(OC)cc1 ZINC000025400311 557208369 /nfs/dbraw/zinc/20/83/69/557208369.db2.gz JAAXHYGPVIVLLD-SQJMNOBHSA-N 0 0 448.567 3.941 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766343 557211776 /nfs/dbraw/zinc/21/17/76/557211776.db2.gz JTMLVCBFHOCROC-HSZRJFAPSA-N 0 0 436.531 3.580 50 0 IHAARN COc1ccc(C2=NN[C@H](c3ccc4c(c3)OCCCO4)[C@@H]2O)c(OCc2ccccc2)c1 ZINC000025575566 557215605 /nfs/dbraw/zinc/21/56/05/557215605.db2.gz NSCYFZBTMVNIKH-RSXGOPAZSA-N 0 0 446.503 3.845 50 0 IHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000025605744 557218743 /nfs/dbraw/zinc/21/87/43/557218743.db2.gz JRVWDZLWUZRIEW-UHFFFAOYSA-N 0 0 427.473 3.667 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC ZINC000025613015 557219421 /nfs/dbraw/zinc/21/94/21/557219421.db2.gz MOBHPEFRXINQAI-ROUUACIJSA-N 0 0 431.920 3.820 50 0 IHAARN O=c1ccc2cc(S(=O)(=O)N3CCN(Cc4csc5ccccc45)CC3)ccc2o1 ZINC000025672338 557221383 /nfs/dbraw/zinc/22/13/83/557221383.db2.gz RDHKWFAYCAIEGG-UHFFFAOYSA-N 0 0 440.546 3.514 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000011652344 557222053 /nfs/dbraw/zinc/22/20/53/557222053.db2.gz LIQMNTMPOCEMEL-SFHVURJKSA-N 0 0 437.359 3.858 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000010812448 557225017 /nfs/dbraw/zinc/22/50/17/557225017.db2.gz FVIWAODBVQPRFA-OAHLLOKOSA-N 0 0 426.947 3.786 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010812427 557225021 /nfs/dbraw/zinc/22/50/21/557225021.db2.gz OFIROHSEXZJQRC-HNNXBMFYSA-N 0 0 426.947 3.786 50 0 IHAARN O=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1ccccc1Cl ZINC000032949580 557227457 /nfs/dbraw/zinc/22/74/57/557227457.db2.gz CJKSPTACZUFKCY-UHFFFAOYSA-N 0 0 430.892 3.869 50 0 IHAARN O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(c2cnccn2)CC1 ZINC000025836118 557228146 /nfs/dbraw/zinc/22/81/46/557228146.db2.gz AXKMZXUADBDPFL-UHFFFAOYSA-N 0 0 431.521 3.873 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000025899131 557229293 /nfs/dbraw/zinc/22/92/93/557229293.db2.gz OSQZDQYRBVDBLW-CQSZACIVSA-N 0 0 425.441 3.785 50 0 IHAARN COc1cc(-c2nnc(COC(=O)c3cccc(OC(F)F)c3)o2)cc(OC)c1OC ZINC000011461603 557229477 /nfs/dbraw/zinc/22/94/77/557229477.db2.gz LZKILBYXXHHEAG-UHFFFAOYSA-N 0 0 436.367 3.721 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)CC2)cc1 ZINC000025917744 557230295 /nfs/dbraw/zinc/23/02/95/557230295.db2.gz UXVHMBVLKGEPRH-LJQANCHMSA-N 0 0 440.565 3.730 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1 ZINC000011696323 557233224 /nfs/dbraw/zinc/23/32/24/557233224.db2.gz QOEPCROXXHDSEV-UHFFFAOYSA-N 0 0 439.518 3.735 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000018072326 557235018 /nfs/dbraw/zinc/23/50/18/557235018.db2.gz WEEJBFFBECUZGH-UHFFFAOYSA-N 0 0 429.492 3.951 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000026149036 557236490 /nfs/dbraw/zinc/23/64/90/557236490.db2.gz YOBVTQWCJVTPNZ-UHFFFAOYSA-N 0 0 430.533 3.610 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101088548 557237296 /nfs/dbraw/zinc/23/72/96/557237296.db2.gz QODSFRKLSWYKOD-SMIHKQSGSA-N 0 0 444.487 3.751 50 0 IHAARN c1csc(-c2noc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)n2)c1 ZINC000026226582 557237734 /nfs/dbraw/zinc/23/77/34/557237734.db2.gz HHDPNGVDSDLZNH-UHFFFAOYSA-N 0 0 426.527 3.508 50 0 IHAARN O=C(c1cc(Cl)ccc1Cl)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011003721 557238352 /nfs/dbraw/zinc/23/83/52/557238352.db2.gz WVTDMOVHIBLUGD-UHFFFAOYSA-N 0 0 431.316 3.669 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1 ZINC000026356513 557239776 /nfs/dbraw/zinc/23/97/76/557239776.db2.gz QMMHNOCRSBFVNF-OAHLLOKOSA-N 0 0 429.567 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 ZINC000026390778 557240419 /nfs/dbraw/zinc/24/04/19/557240419.db2.gz CBOGXKLPVGKQPU-GOSISDBHSA-N 0 0 449.598 3.833 50 0 IHAARN C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCCc2ccccc21 ZINC000026413477 557240801 /nfs/dbraw/zinc/24/08/01/557240801.db2.gz INEAKKJVABQGSU-AWEZNQCLSA-N 0 0 428.872 3.549 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4C)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583648914 557241590 /nfs/dbraw/zinc/24/15/90/557241590.db2.gz CCQIVVLSNNTPMX-DEOSSOPVSA-N 0 0 432.568 3.750 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)NC(C)C ZINC000014771517 557242783 /nfs/dbraw/zinc/24/27/83/557242783.db2.gz BATBXNOPLIAHNO-UHFFFAOYSA-N 0 0 431.558 3.625 50 0 IHAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC ZINC000026534131 557243809 /nfs/dbraw/zinc/24/38/09/557243809.db2.gz DMKUELISZOFDBA-XSFVSMFZSA-N 0 0 437.521 3.562 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc12 ZINC000018156426 557244315 /nfs/dbraw/zinc/24/43/15/557244315.db2.gz CJFYWJWDLRRLMQ-UHFFFAOYSA-N 0 0 436.537 3.595 50 0 IHAARN CSc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)cc1 ZINC000026555316 557244891 /nfs/dbraw/zinc/24/48/91/557244891.db2.gz SDRLDDAYLGFJHZ-HXUWFJFHSA-N 0 0 434.565 3.665 50 0 IHAARN CCOC(=O)c1c(C)oc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c21 ZINC000026698849 557247142 /nfs/dbraw/zinc/24/71/42/557247142.db2.gz IUGFZCMQXRSDIM-INIZCTEOSA-N 0 0 445.475 3.644 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N3CC=C(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000100218726 557248350 /nfs/dbraw/zinc/24/83/50/557248350.db2.gz HYFVDLJAYRVXMS-FQEVSTJZSA-N 0 0 441.325 3.879 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000026796706 557249059 /nfs/dbraw/zinc/24/90/59/557249059.db2.gz OWHGDFRCDFHYND-KDOFPFPSSA-N 0 0 427.476 3.914 50 0 IHAARN COc1ccc(CCNC(=O)c2sc(=S)n(Cc3ccccc3)c2N)cc1OC ZINC000032952215 557249507 /nfs/dbraw/zinc/24/95/07/557249507.db2.gz ZHTBACKRHJQNGU-UHFFFAOYSA-N 0 0 429.567 3.899 50 0 IHAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cc(F)c(F)c(F)c1 ZINC000604419419 557251440 /nfs/dbraw/zinc/25/14/40/557251440.db2.gz MWKYPAXRAJGJLV-NRFANRHFSA-N 0 0 437.377 3.857 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000026989937 557253544 /nfs/dbraw/zinc/25/35/44/557253544.db2.gz UKDKFXZQVWHJHY-CQSZACIVSA-N 0 0 436.468 3.938 50 0 IHAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000101096822 557254006 /nfs/dbraw/zinc/25/40/06/557254006.db2.gz FEOUEXFRUUPYKT-OALUTQOASA-N 0 0 445.544 3.823 50 0 IHAARN CCOC(=O)c1c(C)oc2nc(COC(=O)CCC(=O)c3ccc(Cl)cc3)nc(N)c21 ZINC000018266347 557254849 /nfs/dbraw/zinc/25/48/49/557254849.db2.gz RMAHCQLRCIGCPK-UHFFFAOYSA-N 0 0 445.859 3.650 50 0 IHAARN O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000027065113 557256181 /nfs/dbraw/zinc/25/61/81/557256181.db2.gz ZNZYRCHYZUVTMG-GOSISDBHSA-N 0 0 441.380 3.942 50 0 IHAARN CSc1ncc(C(=O)N2CCC(c3nnc4ccccn43)CC2)n1-c1ccc(F)cc1 ZINC000027138407 557257863 /nfs/dbraw/zinc/25/78/63/557257863.db2.gz WPHDRKZRCYBPSX-UHFFFAOYSA-N 0 0 436.516 3.796 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)Cc2cccc3cccnc32)c(=O)[nH]c1=O ZINC000027315954 557260147 /nfs/dbraw/zinc/26/01/47/557260147.db2.gz LZBLGQPBJXTYLL-UHFFFAOYSA-N 0 0 429.524 3.674 50 0 IHAARN Nc1nc(CSc2nnc(C3CC3)n2Cc2ccco2)nc(Nc2ccc(F)cc2)n1 ZINC000027425651 557262018 /nfs/dbraw/zinc/26/20/18/557262018.db2.gz WXZMQOPZNWIVCS-UHFFFAOYSA-N 0 0 438.492 3.739 50 0 IHAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000070008883 557262736 /nfs/dbraw/zinc/26/27/36/557262736.db2.gz KVQUJTQFLXUVOW-QHCPKHFHSA-N 0 0 440.425 3.746 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000100560662 557264541 /nfs/dbraw/zinc/26/45/41/557264541.db2.gz BCKDXLFNLQTRJW-HXUWFJFHSA-N 0 0 448.500 3.630 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000101235466 557264670 /nfs/dbraw/zinc/26/46/70/557264670.db2.gz YMMCMGWBBRTWFX-HCXYKTFWSA-N 0 0 429.303 3.829 50 0 IHAARN COc1cc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)cc(OC)c1OC ZINC000101220180 557266126 /nfs/dbraw/zinc/26/61/26/557266126.db2.gz JGRYMUBONFJPIE-HNNXBMFYSA-N 0 0 444.289 3.517 50 0 IHAARN CCOC(=O)c1sc(N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000000822186 557268506 /nfs/dbraw/zinc/26/85/06/557268506.db2.gz DRKOQECXUDDYKD-CQSZACIVSA-N 0 0 445.752 3.654 50 0 IHAARN COc1ccc(CN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027654598 557268579 /nfs/dbraw/zinc/26/85/79/557268579.db2.gz GVJWKQFCHMQVEQ-HXUWFJFHSA-N 0 0 430.501 3.679 50 0 IHAARN CCOCCCNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000027663493 557269701 /nfs/dbraw/zinc/26/97/01/557269701.db2.gz SEMXQLUANSRNGD-SFHVURJKSA-N 0 0 444.553 3.562 50 0 IHAARN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027745697 557272565 /nfs/dbraw/zinc/27/25/65/557272565.db2.gz PDHGTYCLIVPCDB-QGZVFWFLSA-N 0 0 442.364 3.897 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000100774365 557276262 /nfs/dbraw/zinc/27/62/62/557276262.db2.gz QTNCSWGFCQYBCS-UHFFFAOYSA-N 0 0 432.362 3.869 50 0 IHAARN COc1ccc(N=CC(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000100896285 557278185 /nfs/dbraw/zinc/27/81/85/557278185.db2.gz LRZXJSHYAOFDMH-UHFFFAOYSA-N 0 0 429.519 3.854 50 0 IHAARN CCOC(=O)Oc1c(OC)cc(C(=O)Nc2c(=O)oc3ccccc3c2NC)cc1OC ZINC000101368509 557278207 /nfs/dbraw/zinc/27/82/07/557278207.db2.gz WWYCPPRWWFTWDG-UHFFFAOYSA-N 0 0 442.424 3.640 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000101094468 557282990 /nfs/dbraw/zinc/28/29/90/557282990.db2.gz PXWVIPFEAPEFNR-UHFFFAOYSA-N 0 0 444.509 3.966 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)C(c2ccccc2)c2ccccc2)c3=O)cc1 ZINC000011665733 557287423 /nfs/dbraw/zinc/28/74/23/557287423.db2.gz OBILXFKECWQKGA-UHFFFAOYSA-N 0 0 435.487 3.793 50 0 IHAARN Cc1cccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)c1C ZINC000101500674 557289942 /nfs/dbraw/zinc/28/99/42/557289942.db2.gz VJLWXGOJHHQSPK-UHFFFAOYSA-N 0 0 436.541 3.588 50 0 IHAARN Cc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)cc1C ZINC000101624479 557292747 /nfs/dbraw/zinc/29/27/47/557292747.db2.gz KLRKDGAEXBWNED-UHFFFAOYSA-N 0 0 437.584 3.993 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(Cc2ccccc2F)n1N)c1cccc2ccccc21 ZINC000014077781 557300547 /nfs/dbraw/zinc/30/05/47/557300547.db2.gz TVFJEYJBBSNKFQ-HNNXBMFYSA-N 0 0 435.528 3.845 50 0 IHAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(OC)c3)C(=O)c3ccco3)nn2c1=O ZINC000101878656 557304549 /nfs/dbraw/zinc/30/45/49/557304549.db2.gz NHNUHOXWCHPYBS-UHFFFAOYSA-N 0 0 435.484 3.517 50 0 IHAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(OCC)cc3)C(=O)c3ccco3)nn2c1=O ZINC000101878689 557304672 /nfs/dbraw/zinc/30/46/72/557304672.db2.gz YFHNXKDNDCTJOJ-UHFFFAOYSA-N 0 0 449.511 3.907 50 0 IHAARN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)NCCc1ccc(Cl)cc1 ZINC000101881945 557305660 /nfs/dbraw/zinc/30/56/60/557305660.db2.gz BNQDOYXZYUQPLB-UHFFFAOYSA-N 0 0 432.911 3.951 50 0 IHAARN CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1-c1ccccc1 ZINC000014129299 557308158 /nfs/dbraw/zinc/30/81/58/557308158.db2.gz FPZKUKXWMUOAGJ-UHFFFAOYSA-N 0 0 429.523 3.515 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4F)CC3)nc2)cc1 ZINC000023326617 557312409 /nfs/dbraw/zinc/31/24/09/557312409.db2.gz UMSCLQYGVPMUGM-UHFFFAOYSA-N 0 0 436.462 3.883 50 0 IHAARN CCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000014167180 557313128 /nfs/dbraw/zinc/31/31/28/557313128.db2.gz AQPCTKRYMAXRMM-UHFFFAOYSA-N 0 0 439.541 3.584 50 0 IHAARN O=C(/C=C/c1ccc(Br)s1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000032721792 557315517 /nfs/dbraw/zinc/31/55/17/557315517.db2.gz OXVLHCIXTDBJFD-FUEXJSSKSA-N 0 0 446.413 3.801 50 0 IHAARN CC[C@H]1c2ccsc2CCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000032891597 557316833 /nfs/dbraw/zinc/31/68/33/557316833.db2.gz NPDOBDQLBXOYQO-IBGZPJMESA-N 0 0 436.599 3.693 50 0 IHAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)s1 ZINC000014202035 557317624 /nfs/dbraw/zinc/31/76/24/557317624.db2.gz UQFFSVSUPOWGCZ-GOSISDBHSA-N 0 0 442.516 3.746 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1ccncc1)C[C@@H](C)CC2 ZINC000032928496 557318497 /nfs/dbraw/zinc/31/84/97/557318497.db2.gz SLEVZXJUEJLMKC-DYLGSBMWSA-N 0 0 428.510 3.640 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000072307246 557318831 /nfs/dbraw/zinc/31/88/31/557318831.db2.gz XDZNMDWLEBRIAO-YADHBBJMSA-N 0 0 430.570 3.676 50 0 IHAARN Cc1cc(SCC(=O)Nc2cccc(F)c2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087804 557322175 /nfs/dbraw/zinc/32/21/75/557322175.db2.gz DHBBHDUXLNRDTI-UHFFFAOYSA-N 0 0 433.530 3.663 50 0 IHAARN COC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033131159 557325289 /nfs/dbraw/zinc/32/52/89/557325289.db2.gz GKWZVCRWEVXAMV-UHFFFAOYSA-N 0 0 425.872 3.744 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1 ZINC000033282752 557331849 /nfs/dbraw/zinc/33/18/49/557331849.db2.gz ADAIPHALDORKAG-UHFFFAOYSA-N 0 0 425.554 3.501 50 0 IHAARN COc1ccc(N(CC(=O)N2CCc3sccc3C2)S(=O)(=O)c2ccccc2)cc1 ZINC000014302643 557333623 /nfs/dbraw/zinc/33/36/23/557333623.db2.gz ISEIYUZTYDSYNN-UHFFFAOYSA-N 0 0 442.562 3.537 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014357038 557335448 /nfs/dbraw/zinc/33/54/48/557335448.db2.gz LEQKGTYHTIQADD-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000044153864 557339720 /nfs/dbraw/zinc/33/97/20/557339720.db2.gz ZMYUIOLBEUBLCU-LJQANCHMSA-N 0 0 426.517 3.768 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1F ZINC000023735130 557372506 /nfs/dbraw/zinc/37/25/06/557372506.db2.gz OBKDUSQQBADTKE-UHFFFAOYSA-N 0 0 448.541 3.647 50 0 IHAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102712678 557374000 /nfs/dbraw/zinc/37/40/00/557374000.db2.gz KGEQGIAXPBGPBH-BHDDXSALSA-N 0 0 434.423 3.591 50 0 IHAARN CC1CCN(C(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)CC1 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Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)C4CCC4)CC3)n12 ZINC000103256250 557430526 /nfs/dbraw/zinc/43/05/26/557430526.db2.gz BVEANPBMNMEIMY-UHFFFAOYSA-N 0 0 426.524 3.702 50 0 IHAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000103588931 557439848 /nfs/dbraw/zinc/43/98/48/557439848.db2.gz FODNERFBGCBROE-OALUTQOASA-N 0 0 448.498 3.953 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1F ZINC000097943834 557453403 /nfs/dbraw/zinc/45/34/03/557453403.db2.gz ZDRYDRJDJADUFX-QFIPXVFZSA-N 0 0 429.879 3.514 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2cccc3cccnc23)cc1OCC ZINC000014811687 557458021 /nfs/dbraw/zinc/45/80/21/557458021.db2.gz DQJMOVWDZWEWRW-ACCUITESSA-N 0 0 448.519 3.948 50 0 IHAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC[C@H](C)C2)C3=O)cc1 ZINC000104755819 557460822 /nfs/dbraw/zinc/46/08/22/557460822.db2.gz ZQJFOQBVAWPLRO-XDHUDOTRSA-N 0 0 437.565 3.664 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000051316424 557464428 /nfs/dbraw/zinc/46/44/28/557464428.db2.gz BYNFUTLVHSKFIT-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 IHAARN O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@H]12)N1CCCC1 ZINC000104919673 557465385 /nfs/dbraw/zinc/46/53/85/557465385.db2.gz UAELACLMJWRKMK-AZUAARDMSA-N 0 0 430.474 3.590 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)nc1C ZINC000014865806 557508774 /nfs/dbraw/zinc/50/87/74/557508774.db2.gz TWIRNOPDYZIFAB-UHFFFAOYSA-N 0 0 449.488 3.990 50 0 IHAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(C)cc3C)nc3cccnc32)cc1 ZINC000047146279 557517059 /nfs/dbraw/zinc/51/70/59/557517059.db2.gz ZDGLHASMHFBQPA-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN CCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2OC)cc1 ZINC000047146408 557517284 /nfs/dbraw/zinc/51/72/84/557517284.db2.gz VQJFKKVGNRKCSY-UHFFFAOYSA-N 0 0 436.537 3.529 50 0 IHAARN COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(F)F ZINC000003323323 557525035 /nfs/dbraw/zinc/52/50/35/557525035.db2.gz VIOVWORNBQBLQH-NTUHNPAUSA-N 0 0 435.379 3.667 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3ccco3)C2)c(OC)c1 ZINC000012053226 557525709 /nfs/dbraw/zinc/52/57/09/557525709.db2.gz OHBPIHWXASMUEJ-SFHVURJKSA-N 0 0 428.529 3.565 50 0 IHAARN CCCC(CCC)C(=O)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000012071374 557526630 /nfs/dbraw/zinc/52/66/30/557526630.db2.gz KUHSWACOROZIRG-UHFFFAOYSA-N 0 0 429.952 3.627 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)N[C@H](C)c4ccccc4)C3)ccc2=O)cc1 ZINC000106328915 557528047 /nfs/dbraw/zinc/52/80/47/557528047.db2.gz ACEIJDPLRNCLAZ-KNQAVFIVSA-N 0 0 430.552 3.889 50 0 IHAARN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)OCCCOC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000108353564 557542518 /nfs/dbraw/zinc/54/25/18/557542518.db2.gz KNIKKEJWUBPJRE-UEUXDIAVSA-N 0 0 428.525 3.572 50 0 IHAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000045549046 557544197 /nfs/dbraw/zinc/54/41/97/557544197.db2.gz VMDZCNOZILLUDH-FQEVSTJZSA-N 0 0 431.496 3.600 50 0 IHAARN O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21)Nc1ccc(Cl)cc1F ZINC000045939252 557548334 /nfs/dbraw/zinc/54/83/34/557548334.db2.gz URXFHMQWIANGHX-UHFFFAOYSA-N 0 0 435.893 3.669 50 0 IHAARN CCc1c(C)nc(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2C)[nH]c1=O ZINC000045924819 557549789 /nfs/dbraw/zinc/54/97/89/557549789.db2.gz KSSJTLWVFDTEDY-UHFFFAOYSA-N 0 0 431.514 3.922 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1C)C(=O)CS2 ZINC000045960791 557554814 /nfs/dbraw/zinc/55/48/14/557554814.db2.gz YKFAQWOOHFRWKU-UHFFFAOYSA-N 0 0 425.554 3.863 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(SC)c1)C(=O)CS2 ZINC000045960874 557554836 /nfs/dbraw/zinc/55/48/36/557554836.db2.gz YEVSIGMQVAJKSL-UHFFFAOYSA-N 0 0 443.594 3.968 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2N2CCCC2)cc1Cl ZINC000045961862 557555382 /nfs/dbraw/zinc/55/53/82/557555382.db2.gz QSVOFYSGWDSEEV-UHFFFAOYSA-N 0 0 434.901 3.856 50 0 IHAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)NC(C)C)n4ccn3n2)cc1 ZINC000045971805 557555549 /nfs/dbraw/zinc/55/55/49/557555549.db2.gz DOHUAJJXPWDTLD-UHFFFAOYSA-N 0 0 438.557 3.840 50 0 IHAARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc(Cl)c1 ZINC000000840504 557597714 /nfs/dbraw/zinc/59/77/14/557597714.db2.gz ZICMLKHLNQERCF-UJKMTWAASA-N 0 0 428.875 3.877 50 0 IHAARN COc1cc2c(cc1NC(=O)COCc1nc3ccccc3c(=O)[nH]1)oc1ccccc12 ZINC000040050976 557685912 /nfs/dbraw/zinc/68/59/12/557685912.db2.gz SZZHGKMQLIDTLX-UHFFFAOYSA-N 0 0 429.432 3.986 50 0 IHAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000040090271 557689784 /nfs/dbraw/zinc/68/97/84/557689784.db2.gz VCBBEGAKLBLSSJ-UHFFFAOYSA-N 0 0 441.509 3.895 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)C(=O)c1cnn(CC)c1)C1CC1 ZINC000225430720 557722379 /nfs/dbraw/zinc/72/23/79/557722379.db2.gz IRFKLTTUTFXNLX-KRWDZBQOSA-N 0 0 438.311 3.688 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)cc12 ZINC000225442400 557723145 /nfs/dbraw/zinc/72/31/45/557723145.db2.gz BIZQSWZVWNCHPZ-FPTDNZKUSA-N 0 0 429.517 3.614 50 0 IHAARN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000225444576 557723542 /nfs/dbraw/zinc/72/35/42/557723542.db2.gz NGCSJTNRFFGLEI-KGLIPLIRSA-N 0 0 426.738 3.837 50 0 IHAARN O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000225505821 557731552 /nfs/dbraw/zinc/73/15/52/557731552.db2.gz MVJJUDSSCMLSDF-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000024987635 557829002 /nfs/dbraw/zinc/82/90/02/557829002.db2.gz NNMWGUOZNTZJDC-GOSISDBHSA-N 0 0 429.977 3.615 50 0 IHAARN O=C(Nc1cccnc1-n1cccn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000025011655 557832469 /nfs/dbraw/zinc/83/24/69/557832469.db2.gz OKMKAFNWFBRESC-UHFFFAOYSA-N 0 0 431.456 3.968 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000230001922 557835144 /nfs/dbraw/zinc/83/51/44/557835144.db2.gz APARKEVXSWZVIP-BHDDXSALSA-N 0 0 446.434 3.663 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(I)c2)NC(=O)N1 ZINC000000863166 557836568 /nfs/dbraw/zinc/83/65/68/557836568.db2.gz IIHWHXKZEASIPH-QGZVFWFLSA-N 0 0 448.260 3.663 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071103 557836842 /nfs/dbraw/zinc/83/68/42/557836842.db2.gz DOZBKLMEJWOGOJ-MSOLQXFVSA-N 0 0 437.565 3.774 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2Cl)c1 ZINC000238997298 557842420 /nfs/dbraw/zinc/84/24/20/557842420.db2.gz ADMBSTHGQDPLIL-NJDAHSKKSA-N 0 0 439.943 3.929 50 0 IHAARN O=CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000241815944 557847059 /nfs/dbraw/zinc/84/70/59/557847059.db2.gz SEIIDCLSHFIROO-JXFKEZNVSA-N 0 0 438.330 3.575 50 0 IHAARN CCc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294795 557849979 /nfs/dbraw/zinc/84/99/79/557849979.db2.gz AHHPOYJXGWZWQZ-PUFAWVJESA-N 0 0 432.557 3.972 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cc(Cl)ccc2C)cc1 ZINC000000886927 557855732 /nfs/dbraw/zinc/85/57/32/557855732.db2.gz PIUZHEMPXNRESP-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(Cl)cc1 ZINC000025056970 557858930 /nfs/dbraw/zinc/85/89/30/557858930.db2.gz LFGPPASMXJMIBL-UHFFFAOYSA-N 0 0 447.804 3.893 50 0 IHAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Br)cc1 ZINC000001738403 560184597 /nfs/dbraw/zinc/18/45/97/560184597.db2.gz QXXNZCQTGAOJIR-LJQANCHMSA-N 0 0 445.313 3.600 50 0 biogenic,in-vitro IHAARN COc1ccc(C)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000000979197 562919906 /nfs/dbraw/zinc/91/99/06/562919906.db2.gz LYPFQRFNMNEYOD-UHFFFAOYSA-N 0 0 430.570 3.910 50 0 IHAARN COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1 ZINC000002291753 562926773 /nfs/dbraw/zinc/92/67/73/562926773.db2.gz ZWXJZWTZCZMZTE-UHFFFAOYSA-N 0 0 441.491 3.941 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002412396 562927455 /nfs/dbraw/zinc/92/74/55/562927455.db2.gz DCQQDGBPVNFMKM-UHFFFAOYSA-N 0 0 443.463 3.696 50 0 IHAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002721121 562929952 /nfs/dbraw/zinc/92/99/52/562929952.db2.gz JDEONPXSFBNMLT-UHFFFAOYSA-N 0 0 443.594 3.783 50 0 IHAARN O=C(CNC(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002998944 562931479 /nfs/dbraw/zinc/93/14/79/562931479.db2.gz LKIUHDYNLAURBY-UHFFFAOYSA-N 0 0 427.840 3.767 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000003302116 562933972 /nfs/dbraw/zinc/93/39/72/562933972.db2.gz QWNQRQWWOOJDKF-INIZCTEOSA-N 0 0 441.915 3.764 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cncc(Br)c1 ZINC000003334374 562934391 /nfs/dbraw/zinc/93/43/91/562934391.db2.gz ADRRAQOVZYHAOI-UHFFFAOYSA-N 0 0 444.285 3.727 50 0 IHAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2c(c1)OCO2 ZINC000003406619 562935233 /nfs/dbraw/zinc/93/52/33/562935233.db2.gz KDQGSOCWIUYTNR-UHFFFAOYSA-N 0 0 430.795 3.861 50 0 IHAARN Cc1noc(C)c1C(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000003432137 562935795 /nfs/dbraw/zinc/93/57/95/562935795.db2.gz BXLVMKWEESBKEL-UHFFFAOYSA-N 0 0 432.274 3.928 50 0 IHAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CC(=O)Nc1ccccc1Br ZINC000003435119 562935841 /nfs/dbraw/zinc/93/58/41/562935841.db2.gz CYDDWXLHEVNKJP-SNVBAGLBSA-N 0 0 444.251 3.764 50 0 IHAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)nc1C ZINC000003643324 562937252 /nfs/dbraw/zinc/93/72/52/562937252.db2.gz UDGAKOZJVNNGPV-QGZVFWFLSA-N 0 0 448.456 3.800 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NCCCN(C)c1ccccc1 ZINC000004057419 562941376 /nfs/dbraw/zinc/94/13/76/562941376.db2.gz CNEXUNNSVUUQIT-HKBQPEDESA-N 0 0 439.581 3.850 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc(CC)c1 ZINC000006249557 562946559 /nfs/dbraw/zinc/94/65/59/562946559.db2.gz ZESOJOGIMQYNDI-UHFFFAOYSA-N 0 0 428.529 3.901 50 0 IHAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006578163 562948088 /nfs/dbraw/zinc/94/80/88/562948088.db2.gz YEVJRXWTTKBASP-UHFFFAOYSA-N 0 0 443.525 3.833 50 0 IHAARN Cc1ccc(CNC(=O)[C@H](C)n2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000006901526 562948554 /nfs/dbraw/zinc/94/85/54/562948554.db2.gz FEOBZQQYIYRONA-SFHVURJKSA-N 0 0 425.554 3.612 50 0 IHAARN CCN(C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)c1ccccc1 ZINC000008587153 562950261 /nfs/dbraw/zinc/95/02/61/562950261.db2.gz GFTMQEOOIVMCDI-UHFFFAOYSA-N 0 0 429.498 3.908 50 0 IHAARN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 ZINC000008588195 562950610 /nfs/dbraw/zinc/95/06/10/562950610.db2.gz OSRYLRIJWTWCDV-UHFFFAOYSA-N 0 0 428.967 3.926 50 0 IHAARN Cc1cc(NC(=O)CCn2c(=O)c3cccn3c3cccnc32)ccc1Br ZINC000008588914 562950916 /nfs/dbraw/zinc/95/09/16/562950916.db2.gz SOZKBQADIPSYQX-UHFFFAOYSA-N 0 0 425.286 3.749 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000008589224 562951070 /nfs/dbraw/zinc/95/10/70/562951070.db2.gz LNSURYSZHBSMJK-UHFFFAOYSA-N 0 0 443.459 3.806 50 0 IHAARN Cc1ccccc1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000008589090 562951085 /nfs/dbraw/zinc/95/10/85/562951085.db2.gz NMNCXCPYTRQGMW-UHFFFAOYSA-N 0 0 436.515 3.978 50 0 IHAARN COc1ccccc1/N=c1\scc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000008589859 562951395 /nfs/dbraw/zinc/95/13/95/562951395.db2.gz ZNZRSYWTYDUJAD-DQRAZIAOSA-N 0 0 429.567 3.779 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000008590680 562951762 /nfs/dbraw/zinc/95/17/62/562951762.db2.gz YYWMNWWKPKPISY-UHFFFAOYSA-N 0 0 441.553 3.705 50 0 IHAARN C[C@@H]1c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)cc3c2N(CCC3)C1=O ZINC000008599658 562954829 /nfs/dbraw/zinc/95/48/29/562954829.db2.gz UGUMGOPMJPXLDN-SNVBAGLBSA-N 0 0 439.306 3.785 50 0 IHAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)c1 ZINC000008600475 562955039 /nfs/dbraw/zinc/95/50/39/562955039.db2.gz QFACFAWMGJKZNG-UHFFFAOYSA-N 0 0 432.958 3.981 50 0 IHAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1ccccc1C(F)(F)F ZINC000008601568 562955431 /nfs/dbraw/zinc/95/54/31/562955431.db2.gz YBNXOLHIMXAVMD-UHFFFAOYSA-N 0 0 445.426 3.834 50 0 IHAARN C=C1C(N2CCC(C(=O)N3CCC(C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008603292 562956009 /nfs/dbraw/zinc/95/60/09/562956009.db2.gz SBIQNXARFOINKF-UHFFFAOYSA-N 0 0 443.613 3.747 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2=O)s1 ZINC000008607126 562957220 /nfs/dbraw/zinc/95/72/20/562957220.db2.gz INGIAWRICDCUED-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N3CCC(C)CC3)c(=O)c21 ZINC000008611027 562958381 /nfs/dbraw/zinc/95/83/81/562958381.db2.gz YEVIYBBZIMFURQ-UHFFFAOYSA-N 0 0 428.536 3.966 50 0 IHAARN C[C@@H](CNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 ZINC000008611866 562958727 /nfs/dbraw/zinc/95/87/27/562958727.db2.gz QHAPPVHCACNMKP-SFHVURJKSA-N 0 0 439.581 3.886 50 0 IHAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000008611971 562958834 /nfs/dbraw/zinc/95/88/34/562958834.db2.gz GWERYNSRNNVXES-UHFFFAOYSA-N 0 0 445.928 3.779 50 0 IHAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000008612064 562958937 /nfs/dbraw/zinc/95/89/37/562958937.db2.gz HJZPPRULPSQMLK-UHFFFAOYSA-N 0 0 440.978 3.669 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008612198 562959075 /nfs/dbraw/zinc/95/90/75/562959075.db2.gz LHTRADPOXOQFMN-INIZCTEOSA-N 0 0 445.924 3.584 50 0 IHAARN COc1cc(O)ccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1C)n2C ZINC000008614133 562959537 /nfs/dbraw/zinc/95/95/37/562959537.db2.gz KPXMKINVJYDALL-QGZVFWFLSA-N 0 0 437.521 3.569 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000008619603 562959927 /nfs/dbraw/zinc/95/99/27/562959927.db2.gz IPTSHRRFNUICGO-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc4c(c3)OCO4)oc12 ZINC000008661733 562960388 /nfs/dbraw/zinc/96/03/88/562960388.db2.gz IRCQNNXDZKUBBE-PNHLSOANSA-N 0 0 429.432 3.842 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1 ZINC000008680887 562961632 /nfs/dbraw/zinc/96/16/32/562961632.db2.gz KZCQGVGHKOBEKS-UHFFFAOYSA-N 0 0 433.501 3.594 50 0 aggregator IHAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008683787 562962010 /nfs/dbraw/zinc/96/20/10/562962010.db2.gz YUEXIKUAXLUDAP-UHFFFAOYSA-N 0 0 437.565 3.761 50 0 aggregator IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc(CCO)cc4)c12)OC(C)(C)CC3 ZINC000008791433 562964181 /nfs/dbraw/zinc/96/41/81/562964181.db2.gz KCJBAOYPSIGKFG-UHFFFAOYSA-N 0 0 437.492 3.757 50 0 biogenic IHAARN CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3 ZINC000008791589 562964202 /nfs/dbraw/zinc/96/42/02/562964202.db2.gz GEFIBBIDRKCZAF-UHFFFAOYSA-N 0 0 436.508 3.939 50 0 biogenic IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000008845188 562965180 /nfs/dbraw/zinc/96/51/80/562965180.db2.gz DBVWYIABAPUILM-HNNXBMFYSA-N 0 0 440.525 3.598 50 0 IHAARN Cc1ccc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1C ZINC000009213711 562968223 /nfs/dbraw/zinc/96/82/23/562968223.db2.gz NAVWRZRSRGMBOL-UHFFFAOYSA-N 0 0 434.945 3.689 50 0 IHAARN CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000009282832 562968872 /nfs/dbraw/zinc/96/88/72/562968872.db2.gz ATZZYNOFBVBMRI-UHFFFAOYSA-N 0 0 432.476 3.664 50 0 IHAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000009352853 562969544 /nfs/dbraw/zinc/96/95/44/562969544.db2.gz VOANQIUDSSRLQH-IRXDYDNUSA-N 0 0 434.492 3.703 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)cc1 ZINC000009474802 562971764 /nfs/dbraw/zinc/97/17/64/562971764.db2.gz ANWJYCOVBYEGBX-UHFFFAOYSA-N 0 0 436.562 3.618 50 0 IHAARN CCCOc1ccc(C(=O)c2ccccc2C(=O)O[C@H]2CCOC2=O)cc1OCCC ZINC000009561935 562973234 /nfs/dbraw/zinc/97/32/34/562973234.db2.gz APUOHHVGNOQUIR-FQEVSTJZSA-N 0 0 426.465 3.968 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009582784 562973545 /nfs/dbraw/zinc/97/35/45/562973545.db2.gz UKBVWIVAYCWNOC-UHFFFAOYSA-N 0 0 425.872 3.986 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O ZINC000009591796 562973676 /nfs/dbraw/zinc/97/36/76/562973676.db2.gz DAMMLSAOMKIECX-ZUOKHONESA-N 0 0 437.334 3.629 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)c1 ZINC000009659215 562974748 /nfs/dbraw/zinc/97/47/48/562974748.db2.gz FASTVIVQTQRZEL-CQSZACIVSA-N 0 0 425.510 3.833 50 0 IHAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)NCc2ccccc2Cl)c(C)n1C ZINC000009685269 562975493 /nfs/dbraw/zinc/97/54/93/562975493.db2.gz HJADPQWLBHHHAX-UHFFFAOYSA-N 0 0 437.993 3.790 50 0 IHAARN CCOc1ccc(N(CC(=O)N[C@H]2CCCC[C@@H]2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723667 562976024 /nfs/dbraw/zinc/97/60/24/562976024.db2.gz CNFXJPSXFJUCCA-YWZLYKJASA-N 0 0 449.573 3.580 50 0 IHAARN CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000010218185 562978526 /nfs/dbraw/zinc/97/85/26/562978526.db2.gz YARZJCAKDVFNIK-UHFFFAOYSA-N 0 0 449.573 3.584 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 ZINC000012937475 562983473 /nfs/dbraw/zinc/98/34/73/562983473.db2.gz XRSRKSMVSYPSHJ-UHFFFAOYSA-N 0 0 442.562 3.570 50 0 IHAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000012942737 562983621 /nfs/dbraw/zinc/98/36/21/562983621.db2.gz AAADUEJQZODAPS-UHFFFAOYSA-N 0 0 441.513 3.777 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccc(C)cc3)C(C)C)cc2s1 ZINC000013110794 562984529 /nfs/dbraw/zinc/98/45/29/562984529.db2.gz WRPIWOMKWASIOY-FQEVSTJZSA-N 0 0 431.583 3.532 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 ZINC000016042613 563020684 /nfs/dbraw/zinc/02/06/84/563020684.db2.gz UASRKLJYYNKBMR-RDGATRHJSA-N 0 0 431.536 3.908 50 0 IHAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019625850 563022852 /nfs/dbraw/zinc/02/28/52/563022852.db2.gz AWRWZMKKHBAQLS-UHFFFAOYSA-N 0 0 436.942 3.808 50 0 IHAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCCCN4CCOCC4)cc32)cc1 ZINC000020355096 563024497 /nfs/dbraw/zinc/02/44/97/563024497.db2.gz SXGPZFJKMHVTRP-UHFFFAOYSA-N 0 0 425.598 3.559 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)o1 ZINC000020308256 563024500 /nfs/dbraw/zinc/02/45/00/563024500.db2.gz UJWAEERRVJXRGQ-FQEVSTJZSA-N 0 0 442.899 3.615 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370266 563093485 /nfs/dbraw/zinc/09/34/85/563093485.db2.gz PJYXONGMKTZDLZ-WMZHIEFXSA-N 0 0 441.622 3.978 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370264 563093517 /nfs/dbraw/zinc/09/35/17/563093517.db2.gz PJYXONGMKTZDLZ-CVDCTZTESA-N 0 0 441.622 3.978 50 0 IHAARN C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1c[nH]c2ccccc21 ZINC000018994913 568631261 /nfs/dbraw/zinc/63/12/61/568631261.db2.gz ZJMQZLZFVOHXLZ-HNNXBMFYSA-N 0 0 429.476 3.960 50 0 IHAARN Cc1c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000000913194 568636706 /nfs/dbraw/zinc/63/67/06/568636706.db2.gz ZFXDFPJHKKZHFY-JOCHJYFZSA-N 0 0 446.532 3.597 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccccc2S(=O)(=O)C(C)C)cc1OC(F)F ZINC000025147101 568641190 /nfs/dbraw/zinc/64/11/90/568641190.db2.gz CCECPOFFZKXRKK-UHFFFAOYSA-N 0 0 427.469 3.751 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940694 568641703 /nfs/dbraw/zinc/64/17/03/568641703.db2.gz XNHMJBLPICGUAS-INIZCTEOSA-N 0 0 444.720 3.540 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000015092130 568644338 /nfs/dbraw/zinc/64/43/38/568644338.db2.gz GULWLJOCOMFZEE-UHFFFAOYSA-N 0 0 434.901 3.668 50 0 IHAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000015094103 568644421 /nfs/dbraw/zinc/64/44/21/568644421.db2.gz PMPDLNMCHHWZLJ-UHFFFAOYSA-N 0 0 431.823 3.607 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000086077444 568644622 /nfs/dbraw/zinc/64/46/22/568644622.db2.gz ITDAOOHWCXPCDP-QGZVFWFLSA-N 0 0 433.512 3.842 50 0 IHAARN COc1ccc(CCNc2ncnc3ccc(I)cc32)cc1OC ZINC000000955131 568647200 /nfs/dbraw/zinc/64/72/00/568647200.db2.gz MPZWWBDMHXNVGH-UHFFFAOYSA-N 0 0 435.265 3.906 50 0 IHAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(OCC)c2O)C1=O ZINC000001008443 568650721 /nfs/dbraw/zinc/65/07/21/568650721.db2.gz ZPSMHHFYMDUNES-VAENJDROSA-N 0 0 444.303 3.541 50 0 IHAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1OCC(F)(F)F ZINC000025465952 568660464 /nfs/dbraw/zinc/66/04/64/568660464.db2.gz BERHHBSRVBBTOB-UHFFFAOYSA-N 0 0 445.323 3.939 50 0 IHAARN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001139986 568660766 /nfs/dbraw/zinc/66/07/66/568660766.db2.gz DOYIYUGTBZPKJX-UHFFFAOYSA-N 0 0 428.841 3.531 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 ZINC000003244172 568743462 /nfs/dbraw/zinc/74/34/62/568743462.db2.gz BDKMPLUIKSQQMU-QHCPKHFHSA-N 0 0 430.460 3.542 50 0 IHAARN O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000043960660 568744428 /nfs/dbraw/zinc/74/44/28/568744428.db2.gz GPFGSXBRKVVWIY-GQCTYLIASA-N 0 0 443.352 3.817 50 0 IHAARN O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000043962314 568744622 /nfs/dbraw/zinc/74/46/22/568744622.db2.gz NPWFGXTXZJEUMY-UHFFFAOYSA-N 0 0 445.560 3.927 50 0 IHAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccc(SC(C)C)cc2)CC1 ZINC000043987010 568745154 /nfs/dbraw/zinc/74/51/54/568745154.db2.gz RLNCBDWMULOUFR-UHFFFAOYSA-N 0 0 432.615 3.558 50 0 IHAARN Cc1cc(Br)c(NC(=O)CSc2cccc[n+]2[O-])c(Br)c1 ZINC000003287637 568745185 /nfs/dbraw/zinc/74/51/85/568745185.db2.gz VPOBFLQREXPVMH-UHFFFAOYSA-N 0 0 432.137 3.884 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c[nH]c2ccccc12 ZINC000003413160 568748728 /nfs/dbraw/zinc/74/87/28/568748728.db2.gz GTAZQOZGSXLLFH-UHFFFAOYSA-N 0 0 440.521 3.772 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(N2CCC[C@H](C)C2)n1 ZINC000044168443 568749060 /nfs/dbraw/zinc/74/90/60/568749060.db2.gz ASHXIWIPGVWMAU-LBPRGKRZSA-N 0 0 437.313 3.940 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000003603057 568751345 /nfs/dbraw/zinc/75/13/45/568751345.db2.gz RYDSKIALYMBNOF-UHFFFAOYSA-N 0 0 443.352 3.717 50 0 IHAARN COc1ccc([C@@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)Cc2ccccc2)cc1 ZINC000003623347 568751720 /nfs/dbraw/zinc/75/17/20/568751720.db2.gz UPHIIPGILDJRTG-HSZRJFAPSA-N 0 0 431.488 3.911 50 0 IHAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000003636701 568752206 /nfs/dbraw/zinc/75/22/06/568752206.db2.gz XVSHPUHKOCXVDA-HKUYNNGSSA-N 0 0 446.525 3.612 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000003643666 568752421 /nfs/dbraw/zinc/75/24/21/568752421.db2.gz WJYJOLSNDUGWKA-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)o2)nc1C ZINC000003643326 568752497 /nfs/dbraw/zinc/75/24/97/568752497.db2.gz NQARFMANGDQKSP-INIZCTEOSA-N 0 0 436.445 3.996 50 0 IHAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000019161211 568752646 /nfs/dbraw/zinc/75/26/46/568752646.db2.gz NAQKVVSBDSUHRQ-UONOGXRCSA-N 0 0 428.872 3.548 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653959 568753032 /nfs/dbraw/zinc/75/30/32/568753032.db2.gz VZCYLZFVRDUTGD-UHFFFAOYSA-N 0 0 426.475 3.594 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299758405 568755526 /nfs/dbraw/zinc/75/55/26/568755526.db2.gz MUPUXWYFGLLNQV-NRFANRHFSA-N 0 0 444.535 3.646 50 0 IHAARN Cc1ccccc1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)cc(C)n1Cc1ccccn1 ZINC000299761909 568755901 /nfs/dbraw/zinc/75/59/01/568755901.db2.gz BNAFOLNXDPPMBC-OYRHEFFESA-N 0 0 445.563 3.749 50 0 IHAARN CSc1ccc(-c2ccc(C(=O)[O-])c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)n2)cc1 ZINC000299794806 568757995 /nfs/dbraw/zinc/75/79/95/568757995.db2.gz KOXHISODUGVMKF-QGZVFWFLSA-N 0 0 441.597 3.842 50 0 IHAARN O=C(NC(=S)Nc1ccccc1NC(=S)NC(=O)c1ccccc1)c1ccccc1 ZINC000000688092 568760229 /nfs/dbraw/zinc/76/02/29/568760229.db2.gz HRSSNLZAZVKDLH-UHFFFAOYSA-N 0 0 434.546 3.940 50 0 IHAARN COC(=O)c1cn(CCn2ccc3ccc(OCc4ccccc4)cc32)cc2c(=O)[nH]nc1-2 ZINC000263587625 568760834 /nfs/dbraw/zinc/76/08/34/568760834.db2.gz JEYYNBFYUBBNJT-UHFFFAOYSA-N 0 0 442.475 3.697 50 0 IHAARN COc1cccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015391025 568761392 /nfs/dbraw/zinc/76/13/92/568761392.db2.gz OTBGWWCXTQSNMF-SFHVURJKSA-N 0 0 436.961 3.598 50 0 IHAARN COc1cc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc(OC)c1OC ZINC000015391669 568761755 /nfs/dbraw/zinc/76/17/55/568761755.db2.gz NPHVHLWAGXRHFL-UHFFFAOYSA-N 0 0 447.944 3.938 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000263618629 568777605 /nfs/dbraw/zinc/77/76/05/568777605.db2.gz URMGXMATUMSXBW-GOSISDBHSA-N 0 0 439.468 3.748 50 0 IHAARN Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)s1 ZINC000025756890 568779410 /nfs/dbraw/zinc/77/94/10/568779410.db2.gz PQUZEDJVFWYYPC-UHFFFAOYSA-N 0 0 433.580 3.821 50 0 IHAARN CC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000032100733 568780592 /nfs/dbraw/zinc/78/05/92/568780592.db2.gz IXAKPYLUZMFMJM-GGXQVSFTSA-N 0 0 432.524 3.583 50 0 IHAARN O=S(=O)(c1ccccc1Br)N1CCN(c2nc3ccccc3s2)CC1 ZINC000001351295 568781307 /nfs/dbraw/zinc/78/13/07/568781307.db2.gz QMBNRBMLKXJBQT-UHFFFAOYSA-N 0 0 438.372 3.570 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000001361921 568782165 /nfs/dbraw/zinc/78/21/65/568782165.db2.gz RQJJAKMMXJZCKL-LAUBAEHRSA-N 0 0 432.973 3.935 50 0 IHAARN CNC(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001392332 568785294 /nfs/dbraw/zinc/78/52/94/568785294.db2.gz XQTISKRLICNRBH-UHFFFAOYSA-N 0 0 437.732 3.597 50 0 IHAARN Cc1ccc(CS(=O)(=O)c2nc3c(c(S(=O)(=O)C4CCCCC4)n2)CCCC3)cc1 ZINC000001393094 568785386 /nfs/dbraw/zinc/78/53/86/568785386.db2.gz QEXWIRSUJQKTHZ-UHFFFAOYSA-N 0 0 448.610 3.744 50 0 IHAARN COc1ccc(C)cc1-n1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000084147692 568794714 /nfs/dbraw/zinc/79/47/14/568794714.db2.gz NJZLVNYCECOEDE-UHFFFAOYSA-N 0 0 427.888 3.934 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(Br)cc2C)c(C)c1I ZINC000001432671 568795120 /nfs/dbraw/zinc/79/51/20/568795120.db2.gz ZRQLRJSJYMUPTA-UHFFFAOYSA-N 0 0 448.102 3.814 50 0 IHAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC2(CC1)OCCO2 ZINC000084341487 568797252 /nfs/dbraw/zinc/79/72/52/568797252.db2.gz JREMJPWLOUGMHG-UHFFFAOYSA-N 0 0 429.344 3.590 50 0 IHAARN O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000084563025 568798844 /nfs/dbraw/zinc/79/88/44/568798844.db2.gz YDYNAXIQZRYHIC-OAHLLOKOSA-N 0 0 440.297 3.773 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000084579000 568798863 /nfs/dbraw/zinc/79/88/63/568798863.db2.gz GNUPXYDHYNIPBF-CYBMUJFWSA-N 0 0 449.326 3.512 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cn1cccn1 ZINC000084647833 568799579 /nfs/dbraw/zinc/79/95/79/568799579.db2.gz DIQNDMYLRJGJMK-JPYJTQIMSA-N 0 0 435.524 3.989 50 0 IHAARN COC(=O)c1occc1[C@H]1NC(=O)N(c2cccc(Br)c2)C(C)=C1C(=O)OC ZINC000084677715 568799744 /nfs/dbraw/zinc/79/97/44/568799744.db2.gz YBACMPQMGTZINI-OAHLLOKOSA-N 0 0 449.257 3.547 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000015656810 568801004 /nfs/dbraw/zinc/80/10/04/568801004.db2.gz FVBYRVLDZNXLRK-UHFFFAOYSA-N 0 0 448.722 3.581 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 ZINC000015670417 568802010 /nfs/dbraw/zinc/80/20/10/568802010.db2.gz FIWYYMQNVAZGJF-QGZVFWFLSA-N 0 0 432.871 3.866 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(F)c3F)n2)cc1 ZINC000015670238 568802125 /nfs/dbraw/zinc/80/21/25/568802125.db2.gz BWRVSZFPLXFERH-MRXNPFEDSA-N 0 0 448.433 3.794 50 0 IHAARN COc1cccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)[nH]n2)c1 ZINC000015679318 568805206 /nfs/dbraw/zinc/80/52/06/568805206.db2.gz YMLUZOAAVKPUJY-UHFFFAOYSA-N 0 0 440.931 3.576 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000015679983 568805924 /nfs/dbraw/zinc/80/59/24/568805924.db2.gz FNHUQLKOWOCCST-UHFFFAOYSA-N 0 0 437.839 3.913 50 0 IHAARN COc1ccc(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c(OC)c1 ZINC000015681541 568806733 /nfs/dbraw/zinc/80/67/33/568806733.db2.gz ZNXTWNSERUGEDP-UHFFFAOYSA-N 0 0 434.471 3.792 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cccc(F)c4)CC3)n2)cc1OC ZINC000015726511 568812420 /nfs/dbraw/zinc/81/24/20/568812420.db2.gz JNZFKHMGSONYRF-UHFFFAOYSA-N 0 0 440.475 3.744 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000015729750 568813720 /nfs/dbraw/zinc/81/37/20/568813720.db2.gz LUMHTYCMKCOWPI-UHFFFAOYSA-N 0 0 437.843 3.543 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(OC)c1 ZINC000015730847 568814283 /nfs/dbraw/zinc/81/42/83/568814283.db2.gz BWMBHXQUISXIKQ-SNVBAGLBSA-N 0 0 442.946 3.838 50 0 IHAARN O=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCN(Cc2ccccc2)CC1 ZINC000015731282 568814700 /nfs/dbraw/zinc/81/47/00/568814700.db2.gz UDINRKNTNHVBDM-UHFFFAOYSA-N 0 0 429.499 3.760 50 0 IHAARN COc1ccccc1-c1nc(SCc2cc(=O)n3nc(-c4ccccc4)sc3n2)n[nH]1 ZINC000015731914 568815030 /nfs/dbraw/zinc/81/50/30/568815030.db2.gz VVOAOFXQIUBCNN-UHFFFAOYSA-N 0 0 448.533 3.904 50 0 IHAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3CC)n2)cc1 ZINC000015732637 568815729 /nfs/dbraw/zinc/81/57/29/568815729.db2.gz NHYNLFZGCGBIAN-UHFFFAOYSA-N 0 0 449.536 3.777 50 0 IHAARN CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OCc1ccccc1 ZINC000001467266 568820344 /nfs/dbraw/zinc/82/03/44/568820344.db2.gz RJQALYGCSNAPAU-NRFANRHFSA-N 0 0 426.538 3.972 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)NCCc4ccccc4)CC3)c(C)o2)cc1 ZINC000015774489 568823463 /nfs/dbraw/zinc/82/34/63/568823463.db2.gz CPXIZKIAFUWDKT-UHFFFAOYSA-N 0 0 434.540 3.729 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)Nc1ccc(Cl)cc1 ZINC000015779727 568824973 /nfs/dbraw/zinc/82/49/73/568824973.db2.gz KDNPTBDUHXRMRL-UHFFFAOYSA-N 0 0 425.851 3.634 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000006101349 568825028 /nfs/dbraw/zinc/82/50/28/568825028.db2.gz GCKCFPBCYNXNOP-UHFFFAOYSA-N 0 0 448.504 3.575 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c(C)c1 ZINC000015783927 568826540 /nfs/dbraw/zinc/82/65/40/568826540.db2.gz JBQTUTKPGMCXBF-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cc(F)ccc3F)n2n1 ZINC000015783899 568826560 /nfs/dbraw/zinc/82/65/60/568826560.db2.gz CBFQGNRDFRBGIF-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)s1 ZINC000015783940 568826763 /nfs/dbraw/zinc/82/67/63/568826763.db2.gz HQZPNVMTUVFQAS-UHFFFAOYSA-N 0 0 436.559 3.742 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ccc21 ZINC000015784332 568827385 /nfs/dbraw/zinc/82/73/85/568827385.db2.gz IIDSYFCBTISKHP-GOSISDBHSA-N 0 0 445.972 3.549 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)CC1 ZINC000085642112 568828940 /nfs/dbraw/zinc/82/89/40/568828940.db2.gz OUWIMNOHPLFOPX-UHFFFAOYSA-N 0 0 427.482 3.553 50 0 IHAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1)Cc1ccccc1F ZINC000085644224 568829291 /nfs/dbraw/zinc/82/92/91/568829291.db2.gz RBIYIWQWRGZIPW-UHFFFAOYSA-N 0 0 442.424 3.979 50 0 IHAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCCCC1 ZINC000085878960 568839018 /nfs/dbraw/zinc/83/90/18/568839018.db2.gz DCJMQYLGSRZXMD-UHFFFAOYSA-N 0 0 426.520 3.977 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4F)ncn3)C[C@H]2C)cc1 ZINC000230130657 568839178 /nfs/dbraw/zinc/83/91/78/568839178.db2.gz GXSAEUVLYKBMBB-QGZVFWFLSA-N 0 0 442.516 3.616 50 0 IHAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104917071 568839200 /nfs/dbraw/zinc/83/92/00/568839200.db2.gz NHTMUPWSDQXLJY-PZJWPPBQSA-N 0 0 433.449 3.991 50 0 IHAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(F)cc1F ZINC000015823998 568840372 /nfs/dbraw/zinc/84/03/72/568840372.db2.gz BNEZQEJMUIRCGY-UHFFFAOYSA-N 0 0 438.481 3.838 50 0 IHAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)[C@H]1COc2ccccc2O1 ZINC000015824844 568840582 /nfs/dbraw/zinc/84/05/82/568840582.db2.gz NJYWXJBCYXZSDU-GOSISDBHSA-N 0 0 427.913 3.765 50 0 IHAARN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025691581 568842578 /nfs/dbraw/zinc/84/25/78/568842578.db2.gz GLTFEOBFYYHUIV-FCHUYYIVSA-N 0 0 438.524 3.672 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1 ZINC000526056030 568844276 /nfs/dbraw/zinc/84/42/76/568844276.db2.gz DMWXCHORTWZUKD-IBGZPJMESA-N 0 0 433.549 3.599 50 0 IHAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O ZINC000015843244 568844693 /nfs/dbraw/zinc/84/46/93/568844693.db2.gz XHQAGHXRMYMAHN-UHFFFAOYSA-N 0 0 426.416 3.660 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)cc1 ZINC000006140387 568845189 /nfs/dbraw/zinc/84/51/89/568845189.db2.gz CRZHHZHSFJTEGL-UHFFFAOYSA-N 0 0 425.510 3.520 50 0 IHAARN C[C@@H](NC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000015864927 568850298 /nfs/dbraw/zinc/85/02/98/568850298.db2.gz VJTGUURXZONXHA-GOSISDBHSA-N 0 0 427.570 3.562 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1OC ZINC000015870317 568851651 /nfs/dbraw/zinc/85/16/51/568851651.db2.gz LDOFRFZOSCCXRP-UHFFFAOYSA-N 0 0 435.527 3.709 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1 ZINC000015880789 568854297 /nfs/dbraw/zinc/85/42/97/568854297.db2.gz ZSIUEPRAWFNQTB-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1 ZINC000015880839 568854520 /nfs/dbraw/zinc/85/45/20/568854520.db2.gz DMTQHXKIMPQBGU-UHFFFAOYSA-N 0 0 446.326 3.952 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015881982 568856364 /nfs/dbraw/zinc/85/63/64/568856364.db2.gz JTOKXCMIVPFFQB-OAQYLSRUSA-N 0 0 429.494 3.550 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882363 568856536 /nfs/dbraw/zinc/85/65/36/568856536.db2.gz CYJMXLPNRAHXIX-UHFFFAOYSA-N 0 0 438.329 3.945 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c(C)c1 ZINC000015882162 568856757 /nfs/dbraw/zinc/85/67/57/568856757.db2.gz UFWQBHNYIVITOQ-UHFFFAOYSA-N 0 0 438.553 3.706 50 0 IHAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(C)cc(C)c3)co2)s1 ZINC000016047716 568869259 /nfs/dbraw/zinc/86/92/59/568869259.db2.gz NARSAGIWTALLEX-UHFFFAOYSA-N 0 0 431.495 3.578 50 0 IHAARN CCOc1c(Br)cc(C(=O)OCC(=O)N(C)C2CCCCC2)cc1OC ZINC000016049246 568869435 /nfs/dbraw/zinc/86/94/35/568869435.db2.gz ULMSUXQSNWBELB-UHFFFAOYSA-N 0 0 428.323 3.804 50 0 IHAARN COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012942488 568870342 /nfs/dbraw/zinc/87/03/42/568870342.db2.gz ZXYFUPVXEAEMED-UHFFFAOYSA-N 0 0 439.839 3.863 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000012944665 568870640 /nfs/dbraw/zinc/87/06/40/568870640.db2.gz UUOXVLXGZZVKEC-UHFFFAOYSA-N 0 0 430.614 3.879 50 0 IHAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 ZINC000016234069 568874239 /nfs/dbraw/zinc/87/42/39/568874239.db2.gz OYXLBXBTMWZMHT-MQZONAICSA-N 0 0 427.932 3.853 50 0 IHAARN Cc1nn(CCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1-c1ccsc1 ZINC000575612508 568879321 /nfs/dbraw/zinc/87/93/21/568879321.db2.gz GCHQUICCPZKTFU-KRWDZBQOSA-N 0 0 426.517 3.537 50 0 IHAARN CN1c2ccc(F)cc2N(CCNC(=O)N(c2ccccc2)c2ccccc2)S1(=O)=O ZINC000575613884 568879706 /nfs/dbraw/zinc/87/97/06/568879706.db2.gz XSSVVPXDSLZLRD-UHFFFAOYSA-N 0 0 440.500 3.875 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](n4c(C)nc5ccccc54)C3)[nH]n2)c1 ZINC000575614976 568881142 /nfs/dbraw/zinc/88/11/42/568881142.db2.gz AQPAVFDJWXFIEQ-MRXNPFEDSA-N 0 0 431.496 3.839 50 0 IHAARN Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617389 568881847 /nfs/dbraw/zinc/88/18/47/568881847.db2.gz OTTKRPIAXVUNOK-LJQANCHMSA-N 0 0 449.985 3.804 50 0 IHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)c1 ZINC000006283012 568881950 /nfs/dbraw/zinc/88/19/50/568881950.db2.gz ITPRLCSERMDHSI-MSOLQXFVSA-N 0 0 448.449 3.569 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)N(C)C)cc1 ZINC000575620550 568882899 /nfs/dbraw/zinc/88/28/99/568882899.db2.gz KTQWHZSAGOUYPI-SFHVURJKSA-N 0 0 433.555 3.661 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)CC2=O)cc1C ZINC000575619481 568882982 /nfs/dbraw/zinc/88/29/82/568882982.db2.gz MHVGXVRTNLESDB-YKSBVNFPSA-N 0 0 428.536 3.564 50 0 IHAARN COc1cnc(N2CCO[C@@H](c3ccccc3)C2)nc1N1CCO[C@@H](c2ccccc2)C1 ZINC000221927214 568884904 /nfs/dbraw/zinc/88/49/04/568884904.db2.gz JUIAFSQAENKTHE-DHIUTWEWSA-N 0 0 432.524 3.641 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000089267831 568887600 /nfs/dbraw/zinc/88/76/00/568887600.db2.gz AUOUTZBQZLAIMP-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(Cl)cc3C)S2(=O)=O)cc1 ZINC000035534704 568892600 /nfs/dbraw/zinc/89/26/00/568892600.db2.gz MBOAXCCQUNRSGV-UHFFFAOYSA-N 0 0 432.929 3.753 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 ZINC000013056564 568892696 /nfs/dbraw/zinc/89/26/96/568892696.db2.gz YFCZSMFDFPDHKN-CMDGGOBGSA-N 0 0 437.521 3.533 50 0 IHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000006346720 568893270 /nfs/dbraw/zinc/89/32/70/568893270.db2.gz FRKJKMOIEPINPC-UHFFFAOYSA-N 0 0 448.957 3.895 50 0 IHAARN NS(=O)(=O)c1ccc(F)c(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1F ZINC000064192706 568893290 /nfs/dbraw/zinc/89/32/90/568893290.db2.gz YSHFIFUHAJRLLT-UHFFFAOYSA-N 0 0 444.868 3.746 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012988798 568895293 /nfs/dbraw/zinc/89/52/93/568895293.db2.gz RQBGIGCTEUZYIP-UHFFFAOYSA-N 0 0 448.972 3.877 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)c1 ZINC000030107982 568895739 /nfs/dbraw/zinc/89/57/39/568895739.db2.gz KZTCVBCNUUKYMK-BJMVGYQFSA-N 0 0 445.357 3.824 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1F ZINC000090750054 568898363 /nfs/dbraw/zinc/89/83/63/568898363.db2.gz JRBIFTRGNOUTQI-SFHVURJKSA-N 0 0 427.544 3.908 50 0 IHAARN C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013002111 568898366 /nfs/dbraw/zinc/89/83/66/568898366.db2.gz MZIFORGIVYCMKA-GFCCVEGCSA-N 0 0 426.523 3.845 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000013004150 568898901 /nfs/dbraw/zinc/89/89/01/568898901.db2.gz MKGSAGVKUAVVNO-IBGZPJMESA-N 0 0 443.975 3.815 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000013005764 568899265 /nfs/dbraw/zinc/89/92/65/568899265.db2.gz IWBMBKNMKGHDIQ-UHFFFAOYSA-N 0 0 431.536 3.618 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c(C)c1 ZINC000013008144 568899552 /nfs/dbraw/zinc/89/95/52/568899552.db2.gz OYZPNXUATFWJMX-UHFFFAOYSA-N 0 0 426.582 3.597 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000013006363 568899721 /nfs/dbraw/zinc/89/97/21/568899721.db2.gz TUGPOYBSWBVDJI-UHFFFAOYSA-N 0 0 446.960 3.650 50 0 IHAARN CCc1cccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000013018012 568901922 /nfs/dbraw/zinc/90/19/22/568901922.db2.gz KDMHNRAYLIJMII-MRXNPFEDSA-N 0 0 447.457 3.718 50 0 IHAARN O=C1C(=Cc2ccc(-n3cncn3)c(F)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000104669559 568904361 /nfs/dbraw/zinc/90/43/61/568904361.db2.gz GBZGKFYKHFLSHE-OVCLIPMQSA-N 0 0 449.389 3.567 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1Cc1ccccc1 ZINC000013038071 568904383 /nfs/dbraw/zinc/90/43/83/568904383.db2.gz YDQOTRMSNIETJR-FQEVSTJZSA-N 0 0 434.492 3.521 50 0 IHAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(F)cc1 ZINC000001785944 568907650 /nfs/dbraw/zinc/90/76/50/568907650.db2.gz GDNQZJPUZJWIEQ-UHFFFAOYSA-N 0 0 440.431 3.847 50 0 IHAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238937266 568910441 /nfs/dbraw/zinc/91/04/41/568910441.db2.gz UVAZWQPBCIEZCG-DNVJHFABSA-N 0 0 446.434 3.802 50 0 IHAARN CCOC(=O)[C@H]1CCCN(Cn2nc(-c3cccs3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000239412382 568911570 /nfs/dbraw/zinc/91/15/70/568911570.db2.gz SQDOYQZUSZCQAH-JKSUJKDBSA-N 0 0 436.603 3.554 50 0 IHAARN C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)c1ccc(Cl)cc1 ZINC000239637056 568911660 /nfs/dbraw/zinc/91/16/60/568911660.db2.gz BIOLLDCAYLHMMT-XDAAZBQQSA-N 0 0 428.838 3.503 50 0 IHAARN CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000241869097 568912560 /nfs/dbraw/zinc/91/25/60/568912560.db2.gz SUJVYXLEROJSQA-OXFYSEKESA-N 0 0 428.529 3.886 50 0 IHAARN CCc1nn2c(nc(CNc3ccc(C(=O)Nc4ccccc4OC)cc3)cc2=O)s1 ZINC000026798199 568917027 /nfs/dbraw/zinc/91/70/27/568917027.db2.gz WDCXNARGASVZCF-UHFFFAOYSA-N 0 0 435.509 3.586 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C ZINC000064370044 568920038 /nfs/dbraw/zinc/92/00/38/568920038.db2.gz LEGHSRZXSGOKBL-UHFFFAOYSA-N 0 0 440.554 3.722 50 0 IHAARN CN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc2c(c1)CCO2 ZINC000089334951 568920553 /nfs/dbraw/zinc/92/05/53/568920553.db2.gz YPXJYXUBNSHYSB-FGZHOGPDSA-N 0 0 434.536 3.712 50 0 IHAARN COc1ccc(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000089438692 568924764 /nfs/dbraw/zinc/92/47/64/568924764.db2.gz DAJHQKSFRJHAGK-MRXNPFEDSA-N 0 0 429.325 3.620 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000089438689 568924766 /nfs/dbraw/zinc/92/47/66/568924766.db2.gz DAJHQKSFRJHAGK-INIZCTEOSA-N 0 0 429.325 3.620 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035828282 568927867 /nfs/dbraw/zinc/92/78/67/568927867.db2.gz IYERFPXIFJOEGP-DDVAMESESA-N 0 0 429.879 3.758 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccc(F)cc4)no3)c(C)c2c1=O ZINC000064439235 568928526 /nfs/dbraw/zinc/92/85/26/568928526.db2.gz CKNCYYABRDNYCZ-LLVKDONJSA-N 0 0 441.488 3.537 50 0 IHAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NC3CCCCCC3)n2N)c1 ZINC000006551461 568931283 /nfs/dbraw/zinc/93/12/83/568931283.db2.gz LRXJNWWGEQMZAO-UHFFFAOYSA-N 0 0 431.606 3.934 50 0 IHAARN CCN(CC)c1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)c(=O)n2C ZINC000064526233 568931420 /nfs/dbraw/zinc/93/14/20/568931420.db2.gz GYYMOVZGDWBRJD-UHFFFAOYSA-N 0 0 436.556 3.633 50 0 IHAARN CCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1 ZINC000064566018 568932775 /nfs/dbraw/zinc/93/27/75/568932775.db2.gz KBPKJGJSTRDMOX-UHFFFAOYSA-N 0 0 443.544 3.585 50 0 IHAARN C[C@H](NC(=O)c1ccc(N2C(=O)C=C(N3CCC(C)CC3)C2=O)cc1)c1ccc(F)cc1 ZINC000064567209 568933344 /nfs/dbraw/zinc/93/33/44/568933344.db2.gz VXMBMAISIQLUGF-KRWDZBQOSA-N 0 0 435.499 3.806 50 0 IHAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)O2)c1OC(C)=O ZINC000064567817 568933939 /nfs/dbraw/zinc/93/39/39/568933939.db2.gz XGVJONDOMFQXEI-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccn6)CC5)n3n2)CCCC4)cc1 ZINC000064592849 568935588 /nfs/dbraw/zinc/93/55/88/568935588.db2.gz CZTNLFJMJPSFMD-UHFFFAOYSA-N 0 0 439.567 3.624 50 0 IHAARN COc1ccccc1-n1ccn2c(SCC(=O)c3ccccc3Cl)nnc2c1=O ZINC000064593236 568935770 /nfs/dbraw/zinc/93/57/70/568935770.db2.gz JMHVDZXIQUVGHS-UHFFFAOYSA-N 0 0 426.885 3.517 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1ccccc1Cl ZINC000064593887 568936252 /nfs/dbraw/zinc/93/62/52/568936252.db2.gz VOCWADPXLUHWEN-UHFFFAOYSA-N 0 0 432.839 3.787 50 0 IHAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1 ZINC000064593876 568936271 /nfs/dbraw/zinc/93/62/71/568936271.db2.gz MTERVPRIFGBURE-UHFFFAOYSA-N 0 0 442.447 3.532 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)c(OC)c1 ZINC000089544817 568936874 /nfs/dbraw/zinc/93/68/74/568936874.db2.gz UCWZLBUGXZPSKF-GGAORHGYSA-N 0 0 443.544 3.729 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F ZINC000016689700 568938186 /nfs/dbraw/zinc/93/81/86/568938186.db2.gz YGILSENXZPATQK-SFHVURJKSA-N 0 0 443.518 3.520 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004764098 568940198 /nfs/dbraw/zinc/94/01/98/568940198.db2.gz YYSYPZWUKZYOPJ-RXVVDRJESA-N 0 0 426.513 3.576 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000002059830 568941110 /nfs/dbraw/zinc/94/11/10/568941110.db2.gz GKIVQYRQZVDMQG-RNHBDSLOSA-N 0 0 440.524 3.561 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000002059828 568941134 /nfs/dbraw/zinc/94/11/34/568941134.db2.gz GKIVQYRQZVDMQG-FQWPPLDYSA-N 0 0 440.524 3.561 50 0 IHAARN O=C(NCc1ccccn1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611658 568941461 /nfs/dbraw/zinc/94/14/61/568941461.db2.gz NBPNFDDAQGLCBP-QGZVFWFLSA-N 0 0 445.548 3.579 50 0 IHAARN CCCCN1C(=O)C(=CN=c2[nH]c3ccccc3[nH]2)C(=O)N(CCc2ccccc2)C1=O ZINC000008410034 568945433 /nfs/dbraw/zinc/94/54/33/568945433.db2.gz BZXGFRAFLPTOFW-FBMGVBCBSA-N 0 0 431.496 3.692 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000036083551 568947238 /nfs/dbraw/zinc/94/72/38/568947238.db2.gz MLOPDABWMNKKAF-HXUWFJFHSA-N 0 0 428.510 3.933 50 0 IHAARN COC(=O)c1c2cc(Cl)ccc2nc2c1CN(C(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000064754465 568950867 /nfs/dbraw/zinc/95/08/67/568950867.db2.gz BUEXJYBQOPZVEZ-UHFFFAOYSA-N 0 0 437.883 3.832 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)=O ZINC000036117251 568955619 /nfs/dbraw/zinc/95/56/19/568955619.db2.gz PEGUGANQHMPOCH-IERDGZPVSA-N 0 0 430.570 3.909 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)CC ZINC000036117412 568955723 /nfs/dbraw/zinc/95/57/23/568955723.db2.gz ZBSUSHYHCWVOPG-HXUWFJFHSA-N 0 0 430.570 3.910 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C1CC1 ZINC000036118747 568956130 /nfs/dbraw/zinc/95/61/30/568956130.db2.gz MSZXKNWDEXBNIN-HXUWFJFHSA-N 0 0 442.581 3.507 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)NC4CCCCCC4)c(=O)n23)c1 ZINC000064788036 568956454 /nfs/dbraw/zinc/95/64/54/568956454.db2.gz HCHQMFSCUBDXIQ-UHFFFAOYSA-N 0 0 427.526 3.893 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000064789996 568957138 /nfs/dbraw/zinc/95/71/38/568957138.db2.gz JSLXGFQISWDLGH-OAHLLOKOSA-N 0 0 432.480 3.705 50 0 IHAARN CCC(=O)N1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789636 568957186 /nfs/dbraw/zinc/95/71/86/568957186.db2.gz JHDVHEACEZJMBI-UHFFFAOYSA-N 0 0 439.537 3.541 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120311 568957330 /nfs/dbraw/zinc/95/73/30/568957330.db2.gz ZKVJUHLEFCGOIH-IBGZPJMESA-N 0 0 448.560 3.523 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120498 568957505 /nfs/dbraw/zinc/95/75/05/568957505.db2.gz VYJXGORKSPCFBZ-LJQANCHMSA-N 0 0 448.560 3.667 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)C(C)C ZINC000036121853 568958070 /nfs/dbraw/zinc/95/80/70/568958070.db2.gz KZFTXRFYPUTTBQ-FQEVSTJZSA-N 0 0 444.597 3.692 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1 ZINC000036122679 568958171 /nfs/dbraw/zinc/95/81/71/568958171.db2.gz WSWBQICYBGGJIH-HXUWFJFHSA-N 0 0 427.570 3.835 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCCCCC2)cc1 ZINC000064792701 568959377 /nfs/dbraw/zinc/95/93/77/568959377.db2.gz BPGGBRGPUYAUQK-QHCPKHFHSA-N 0 0 428.540 3.835 50 0 IHAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)NCc3ccccc3)c3nnnn32)cc1 ZINC000064793100 568959637 /nfs/dbraw/zinc/95/96/37/568959637.db2.gz RRXCDRLSYSNVIA-XMMPIXPASA-N 0 0 436.519 3.748 50 0 IHAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)n2)cc1 ZINC000064800541 568961174 /nfs/dbraw/zinc/96/11/74/568961174.db2.gz CXDWKBBJLNNIFF-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN COc1cc([C@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819683 568966635 /nfs/dbraw/zinc/96/66/35/568966635.db2.gz JBDBHCSSOKXJJQ-LJQANCHMSA-N 0 0 435.274 3.714 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccccc1C ZINC000036162999 568967755 /nfs/dbraw/zinc/96/77/55/568967755.db2.gz KLPXLARCIWZHFA-QHCPKHFHSA-N 0 0 425.554 3.870 50 0 IHAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccccc3C(F)(F)F)no2)c1 ZINC000064841445 568970090 /nfs/dbraw/zinc/97/00/90/568970090.db2.gz PWTKWZUPHFPCRN-UHFFFAOYSA-N 0 0 425.432 3.927 50 0 IHAARN CN(CCc1noc(-c2ccccc2F)n1)S(=O)(=O)c1ccc(Br)s1 ZINC000064841396 568970111 /nfs/dbraw/zinc/97/01/11/568970111.db2.gz JOUDLESBUFIUEV-UHFFFAOYSA-N 0 0 446.323 3.563 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)c1 ZINC000064841853 568970479 /nfs/dbraw/zinc/97/04/79/568970479.db2.gz CRXKDPXWDLGQEM-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN CCCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc1 ZINC000064841896 568970684 /nfs/dbraw/zinc/97/06/84/568970684.db2.gz QUJDZSCVCABXDC-UHFFFAOYSA-N 0 0 433.505 3.603 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)cc(OC)c1 ZINC000064847338 568971279 /nfs/dbraw/zinc/97/12/79/568971279.db2.gz CMTGFJRCJGSJRW-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)c1cccn1-2 ZINC000064848069 568971314 /nfs/dbraw/zinc/97/13/14/568971314.db2.gz HWMNHONDOMRLPR-UHFFFAOYSA-N 0 0 445.491 3.870 50 0 biogenic IHAARN COc1cccc(N2CCN(S(=O)(=O)c3c(C)sc(C)c3-c3ccno3)CC2)c1 ZINC000064845028 568972053 /nfs/dbraw/zinc/97/20/53/568972053.db2.gz MEIXDUBGWOIIDI-UHFFFAOYSA-N 0 0 433.555 3.539 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208553 568973377 /nfs/dbraw/zinc/97/33/77/568973377.db2.gz QDYLEPPHVFGUBG-QHCPKHFHSA-N 0 0 441.616 3.781 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036208560 568973436 /nfs/dbraw/zinc/97/34/36/568973436.db2.gz ZXGZZBRGFCXDGN-HSZRJFAPSA-N 0 0 439.600 3.535 50 0 IHAARN CC(C)CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036209063 568973598 /nfs/dbraw/zinc/97/35/98/568973598.db2.gz GIDBHNHCYHJXNJ-UTKZUKDTSA-N 0 0 433.618 3.532 50 0 IHAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000064861526 568973969 /nfs/dbraw/zinc/97/39/69/568973969.db2.gz WKHYAEGNWOWGGH-UHFFFAOYSA-N 0 0 427.448 3.988 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210652 568975003 /nfs/dbraw/zinc/97/50/03/568975003.db2.gz MQPACAOOYUAPJF-XXBNENTESA-N 0 0 435.568 3.561 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)cc1 ZINC000064868178 568975469 /nfs/dbraw/zinc/97/54/69/568975469.db2.gz YRRIPAJVTOQJBN-UHFFFAOYSA-N 0 0 446.550 3.583 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)c2ccccc2N1 ZINC000064869285 568975660 /nfs/dbraw/zinc/97/56/60/568975660.db2.gz MLCGSTIFUPMMPZ-UHFFFAOYSA-N 0 0 427.888 3.883 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211980 568975838 /nfs/dbraw/zinc/97/58/38/568975838.db2.gz FTMJEBDSSUHGNE-CVDCTZTESA-N 0 0 435.568 3.561 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036212159 568975961 /nfs/dbraw/zinc/97/59/61/568975961.db2.gz QCKNGINHWKVYRP-AUSIDOKSSA-N 0 0 429.605 3.539 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212356 568976226 /nfs/dbraw/zinc/97/62/26/568976226.db2.gz WWCLEMAUYASCRZ-OAQYLSRUSA-N 0 0 441.597 3.576 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036213191 568976826 /nfs/dbraw/zinc/97/68/26/568976826.db2.gz BYESFYAALAXSMD-YKSBVNFPSA-N 0 0 449.595 3.869 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036213115 568976834 /nfs/dbraw/zinc/97/68/34/568976834.db2.gz RQLKSRLNBGICKS-AUSIDOKSSA-N 0 0 435.568 3.561 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036213095 568976842 /nfs/dbraw/zinc/97/68/42/568976842.db2.gz GDLJJZWUIYCYDN-UTKZUKDTSA-N 0 0 441.597 3.622 50 0 IHAARN CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036213527 568977441 /nfs/dbraw/zinc/97/74/41/568977441.db2.gz VRHBSYHWOFXJJD-HXUWFJFHSA-N 0 0 442.585 3.625 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)cc2)no1 ZINC000064889460 568981023 /nfs/dbraw/zinc/98/10/23/568981023.db2.gz XCPFXCHKHRVBKA-UHFFFAOYSA-N 0 0 431.290 3.617 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000036250423 568983813 /nfs/dbraw/zinc/98/38/13/568983813.db2.gz UKXXOSGCDKKBJG-QFIPXVFZSA-N 0 0 432.008 3.915 50 0 IHAARN CCN(CC)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250182 568983888 /nfs/dbraw/zinc/98/38/88/568983888.db2.gz CWPDDVAYTFPZQG-FQEVSTJZSA-N 0 0 439.522 3.890 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250589 568984228 /nfs/dbraw/zinc/98/42/28/568984228.db2.gz HEZKFMRLPAGYQJ-AREMUKBSSA-N 0 0 445.607 3.897 50 0 IHAARN O=C(NCCc1ccccc1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036252981 568984255 /nfs/dbraw/zinc/98/42/55/568984255.db2.gz RBVRTWKXRUGBAD-DEOSSOPVSA-N 0 0 437.559 3.501 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)n(C)c2C)cc1Cl ZINC000064922381 568986051 /nfs/dbraw/zinc/98/60/51/568986051.db2.gz QROOZPMJAOTEQO-UHFFFAOYSA-N 0 0 439.965 3.668 50 0 IHAARN O=C(Nc1ccccc1Cl)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927377 568987095 /nfs/dbraw/zinc/98/70/95/568987095.db2.gz GMAMAVIXVJEBMX-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929968 568988255 /nfs/dbraw/zinc/98/82/55/568988255.db2.gz FCTVBOVAGFWLCL-GOSISDBHSA-N 0 0 439.516 3.973 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000064930993 568989225 /nfs/dbraw/zinc/98/92/25/568989225.db2.gz OLDYVLDJOZMNMZ-INIZCTEOSA-N 0 0 448.957 3.970 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930899 568989276 /nfs/dbraw/zinc/98/92/76/568989276.db2.gz YKLDPYXZIPHCOX-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(OC)c3)C[C@@H]12 ZINC000169677411 568989644 /nfs/dbraw/zinc/98/96/44/568989644.db2.gz IBEZBKZPDWYFAN-CTNGQTDRSA-N 0 0 433.474 3.718 50 0 IHAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169677969 568990591 /nfs/dbraw/zinc/99/05/91/568990591.db2.gz KNWNAQBKRSMYQC-IFMALSPDSA-N 0 0 448.510 3.755 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc([C@H]2CCCN2S(=O)(=O)c2cccs2)s1 ZINC000064941780 568991306 /nfs/dbraw/zinc/99/13/06/568991306.db2.gz GTFXYBFOYFFGAA-CYBMUJFWSA-N 0 0 438.531 3.517 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000064942456 568991488 /nfs/dbraw/zinc/99/14/88/568991488.db2.gz XXQYBPSDWZMQRI-UHFFFAOYSA-N 0 0 441.940 3.530 50 0 IHAARN CCc1ccc(Cn2c3nn(CCOc4ccccc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946719 568993682 /nfs/dbraw/zinc/99/36/82/568993682.db2.gz QGPZTMFZYUYJFQ-UHFFFAOYSA-N 0 0 446.532 3.562 50 0 IHAARN O=c1n(Cc2ccc(F)cc2)nc2n1c1ccsc1c(=O)n2Cc1ccc(Cl)cc1 ZINC000064946450 568994211 /nfs/dbraw/zinc/99/42/11/568994211.db2.gz CEQSESHKGLXCRR-UHFFFAOYSA-N 0 0 440.887 3.762 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310568 568996660 /nfs/dbraw/zinc/99/66/60/568996660.db2.gz OIAXMPJPPQHVJB-HSZRJFAPSA-N 0 0 438.547 3.850 50 0 IHAARN COc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC000036311161 568996887 /nfs/dbraw/zinc/99/68/87/568996887.db2.gz FZZGFAXHILMQEX-QHCPKHFHSA-N 0 0 439.531 3.790 50 0 IHAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCOc4ccc(Cl)cc43)cc21 ZINC000064952162 568997421 /nfs/dbraw/zinc/99/74/21/568997421.db2.gz URISOQOFXUCEOH-UHFFFAOYSA-N 0 0 438.958 3.776 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)[nH]c3C2)cc1 ZINC000064959162 568999867 /nfs/dbraw/zinc/99/98/67/568999867.db2.gz TVEXOOYJGLUSRB-MRXNPFEDSA-N 0 0 436.895 3.880 50 0 IHAARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1 ZINC000064963898 569000845 /nfs/dbraw/zinc/00/08/45/569000845.db2.gz JEIZNGOSYSHMAN-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN COc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000064972166 569076792 /nfs/dbraw/zinc/07/67/92/569076792.db2.gz LVMAVRLNEMQSMS-HSZRJFAPSA-N 0 0 436.533 3.758 50 0 IHAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4F)c3=O)n2)cc1 ZINC000064971847 569076803 /nfs/dbraw/zinc/07/68/03/569076803.db2.gz AIAGAUWQQSUMOT-UHFFFAOYSA-N 0 0 448.454 3.969 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000064972409 569076917 /nfs/dbraw/zinc/07/69/17/569076917.db2.gz PROYEIDKIDORGK-QHCPKHFHSA-N 0 0 438.524 3.566 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000064972331 569076968 /nfs/dbraw/zinc/07/69/68/569076968.db2.gz RTKQTAQIIZHZKC-QHCPKHFHSA-N 0 0 436.533 3.758 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(C)cc2OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976760 569077297 /nfs/dbraw/zinc/07/72/97/569077297.db2.gz WVDMOYHZPXWTBA-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 ZINC000064977935 569077871 /nfs/dbraw/zinc/07/78/71/569077871.db2.gz BEEGTDOMNKDUKR-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000036340216 569078652 /nfs/dbraw/zinc/07/86/52/569078652.db2.gz MSHTUYKEGODDNM-FQEVSTJZSA-N 0 0 447.023 3.636 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985440 569082011 /nfs/dbraw/zinc/08/20/11/569082011.db2.gz FTJJEJKCNUOKEL-HRAATJIYSA-N 0 0 430.570 3.855 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)Oc3ccc(Cl)cc32)cc1 ZINC000064986165 569082086 /nfs/dbraw/zinc/08/20/86/569082086.db2.gz CZFHPVOLUMNUIV-FQEVSTJZSA-N 0 0 443.912 3.638 50 0 IHAARN CCn1c(SCC(=O)NCc2cc3c(cc2C)OCCCO3)nnc1-c1cccs1 ZINC000064987196 569082329 /nfs/dbraw/zinc/08/23/29/569082329.db2.gz PCOZGNLDNPOFAY-UHFFFAOYSA-N 0 0 444.582 3.905 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064989764 569083019 /nfs/dbraw/zinc/08/30/19/569083019.db2.gz LGZJXFDCGVDYFZ-UHFFFAOYSA-N 0 0 430.504 3.902 50 0 IHAARN COC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000064990466 569083379 /nfs/dbraw/zinc/08/33/79/569083379.db2.gz GLSNFLNUZRXITL-UHFFFAOYSA-N 0 0 429.476 3.998 50 0 IHAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 ZINC000036351025 569083771 /nfs/dbraw/zinc/08/37/71/569083771.db2.gz CODOVNOUHLWOIS-SIKLNZKXSA-N 0 0 431.458 3.908 50 0 IHAARN CCOCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000064999581 569086166 /nfs/dbraw/zinc/08/61/66/569086166.db2.gz JGZKWPLCOSINKN-UHFFFAOYSA-N 0 0 436.599 3.746 50 0 IHAARN CCCCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999833 569086268 /nfs/dbraw/zinc/08/62/68/569086268.db2.gz IEBXABIRSVVZGR-UHFFFAOYSA-N 0 0 436.599 3.746 50 0 IHAARN CN(Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C)C(=O)Nc1ccc(F)cc1F ZINC000065008191 569087319 /nfs/dbraw/zinc/08/73/19/569087319.db2.gz JJFBHDARHHYNLS-UHFFFAOYSA-N 0 0 427.455 3.751 50 0 IHAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000036368112 569087598 /nfs/dbraw/zinc/08/75/98/569087598.db2.gz JHBXZELQSVQKLY-UHFFFAOYSA-N 0 0 446.507 3.831 50 0 biogenic IHAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026786 569089973 /nfs/dbraw/zinc/08/99/73/569089973.db2.gz HVQDZPMJQMVONZ-LJQANCHMSA-N 0 0 434.544 3.637 50 0 IHAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCc2cccc(OC)c2)n1 ZINC000065024916 569090241 /nfs/dbraw/zinc/09/02/41/569090241.db2.gz OQGRGJQEMQTRPX-UHFFFAOYSA-N 0 0 436.443 3.690 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2nc3c4ccccc4oc3c(N3CCOCC3)n2)c1 ZINC000065024958 569090272 /nfs/dbraw/zinc/09/02/72/569090272.db2.gz PGNXQQUTDDYQSX-UHFFFAOYSA-N 0 0 446.463 3.642 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(OC)cc2)c1 ZINC000065030172 569091247 /nfs/dbraw/zinc/09/12/47/569091247.db2.gz NXCBIRQGKXXMND-UHFFFAOYSA-N 0 0 430.464 3.917 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1 ZINC000065034595 569092054 /nfs/dbraw/zinc/09/20/54/569092054.db2.gz SNUBPFVEQZNKRV-UHFFFAOYSA-N 0 0 429.517 3.514 50 0 IHAARN Cc1cccc2c(=O)n(C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cnc12 ZINC000065034727 569092292 /nfs/dbraw/zinc/09/22/92/569092292.db2.gz YOXFFLQNSHHWFQ-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000036384749 569092934 /nfs/dbraw/zinc/09/29/34/569092934.db2.gz DXGCCROJANVXDT-UHFFFAOYSA-N 0 0 447.579 3.538 50 0 IHAARN COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)n2N)c1 ZINC000036385455 569092982 /nfs/dbraw/zinc/09/29/82/569092982.db2.gz LVBDFRAGZDWISB-ZYSHUDEJSA-N 0 0 448.589 3.676 50 0 IHAARN Cc1ccc(C(O)=C2[C@H](c3ccc(Cl)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000036387046 569093063 /nfs/dbraw/zinc/09/30/63/569093063.db2.gz CXTLQMTZCXJYPB-RLFYNMQTSA-N 0 0 428.863 3.917 50 0 IHAARN COc1ccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC ZINC000169753510 569093642 /nfs/dbraw/zinc/09/36/42/569093642.db2.gz RPSVNUGBMMGDMD-IBGZPJMESA-N 0 0 438.503 3.561 50 0 IHAARN C[C@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062232 569096803 /nfs/dbraw/zinc/09/68/03/569096803.db2.gz ROBUTSHAFJOXSD-ZDUSSCGKSA-N 0 0 444.981 3.894 50 0 IHAARN C[C@H](Cc1ccco1)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062024 569096923 /nfs/dbraw/zinc/09/69/23/569096923.db2.gz INDPBDFHPYRCQS-CYBMUJFWSA-N 0 0 430.979 3.533 50 0 IHAARN COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)cc1OC ZINC000169769274 569097972 /nfs/dbraw/zinc/09/79/72/569097972.db2.gz YVZGFSHAEVLXLW-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1 ZINC000036395512 569098883 /nfs/dbraw/zinc/09/88/83/569098883.db2.gz HLZFNFZMJVMSHV-GOSISDBHSA-N 0 0 425.492 3.911 50 0 IHAARN C[C@@H](CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077224 569100169 /nfs/dbraw/zinc/10/01/69/569100169.db2.gz IUFPAJNIOCJEDE-NSHDSACASA-N 0 0 440.493 3.590 50 0 IHAARN Cc1ccc(C)c(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077374 569100247 /nfs/dbraw/zinc/10/02/47/569100247.db2.gz NDURUGLHHGGAAJ-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)Nc1cccc(Cl)c1 ZINC000065077567 569100282 /nfs/dbraw/zinc/10/02/82/569100282.db2.gz YJUZUFRJFXHBHZ-LBPRGKRZSA-N 0 0 438.958 3.823 50 0 IHAARN Cc1cc(F)ccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077688 569100456 /nfs/dbraw/zinc/10/04/56/569100456.db2.gz JMTYYUDIIPFUAQ-CYBMUJFWSA-N 0 0 436.530 3.617 50 0 IHAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077925 569100783 /nfs/dbraw/zinc/10/07/83/569100783.db2.gz HZKYKOGINYLJBA-ZDUSSCGKSA-N 0 0 446.550 3.515 50 0 IHAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)CCCCCNC(C)=O)c2C)cc1 ZINC000036397944 569100914 /nfs/dbraw/zinc/10/09/14/569100914.db2.gz ZJOFJMYFCMXVKV-UHFFFAOYSA-N 0 0 442.556 3.779 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4Cl)ccn3n2)c(C)c1 ZINC000169775729 569101818 /nfs/dbraw/zinc/10/18/18/569101818.db2.gz DFUJVYAIVVHYMX-UHFFFAOYSA-N 0 0 434.927 3.792 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc5[nH]ccc54)ccn3n2)cc1C ZINC000169775973 569101970 /nfs/dbraw/zinc/10/19/70/569101970.db2.gz DXPBPNOTVOZLDP-UHFFFAOYSA-N 0 0 425.492 3.691 50 0 IHAARN CCOc1ccc(-n2nnc(C(=O)NCc3cc(F)cc(F)c3)c2-c2ccncc2)cc1 ZINC000065083088 569102201 /nfs/dbraw/zinc/10/22/01/569102201.db2.gz JSTKTNYPFPKCAH-UHFFFAOYSA-N 0 0 435.434 3.936 50 0 IHAARN Cc1cccc(CC(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)c1 ZINC000169777577 569103031 /nfs/dbraw/zinc/10/30/31/569103031.db2.gz WKHBJRWYNFNMIE-UHFFFAOYSA-N 0 0 428.496 3.710 50 0 IHAARN CCOc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169780614 569103153 /nfs/dbraw/zinc/10/31/53/569103153.db2.gz OVNJFHYTUNKBQL-UHFFFAOYSA-N 0 0 444.495 3.871 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169779764 569103353 /nfs/dbraw/zinc/10/33/53/569103353.db2.gz FMOOFYBYFGJHOZ-UHFFFAOYSA-N 0 0 446.429 3.787 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(Cl)cc4)ccn3n2)cc1 ZINC000169781165 569103387 /nfs/dbraw/zinc/10/33/87/569103387.db2.gz NJXPIJOTHFPPPY-UHFFFAOYSA-N 0 0 436.899 3.645 50 0 IHAARN COc1ccc(OCC(=O)N[C@@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 ZINC000065096822 569103731 /nfs/dbraw/zinc/10/37/31/569103731.db2.gz DZJWCUSHCMIKCE-RUZDIDTESA-N 0 0 430.504 3.911 50 0 IHAARN Cc1cccc(N(C)C(=O)CSc2nnc(-c3nc(-c4ccc(F)cc4)no3)n2C)c1 ZINC000065099831 569104792 /nfs/dbraw/zinc/10/47/92/569104792.db2.gz ILNLHCSQWLITKH-UHFFFAOYSA-N 0 0 438.488 3.735 50 0 IHAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)c1 ZINC000065099164 569105057 /nfs/dbraw/zinc/10/50/57/569105057.db2.gz JBTVCFTZJSNALU-UHFFFAOYSA-N 0 0 448.552 3.930 50 0 IHAARN Cc1ccc(CNc2nc(=O)n(CC(=O)NCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000065101819 569105923 /nfs/dbraw/zinc/10/59/23/569105923.db2.gz RTXXYWRVLLBGLO-UHFFFAOYSA-N 0 0 430.483 3.773 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cccc(F)c4F)CC3)no2)c1 ZINC000065112220 569108022 /nfs/dbraw/zinc/10/80/22/569108022.db2.gz BJQBEHVGIZVHGB-UHFFFAOYSA-N 0 0 435.452 3.592 50 0 IHAARN Cc1ccccc1-c1noc(Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)n1 ZINC000065112816 569108304 /nfs/dbraw/zinc/10/83/04/569108304.db2.gz GMEPXWNOSPYLMM-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN Cn1c2ccc(-c3noc(-c4ccc(CS(=O)(=O)c5ccccc5)cc4)n3)cc2oc1=O ZINC000065138186 569110497 /nfs/dbraw/zinc/11/04/97/569110497.db2.gz RTRXLFZCFUGRBI-UHFFFAOYSA-N 0 0 447.472 3.822 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H](c3noc(-c4cccc(F)c4)n3)C2)cc1OC ZINC000065149447 569110947 /nfs/dbraw/zinc/11/09/47/569110947.db2.gz XGIVXGKMUOACRG-KRWDZBQOSA-N 0 0 425.460 3.842 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H](c3noc(-c4ccccc4OC)n3)C2)cc1OC ZINC000065149485 569110970 /nfs/dbraw/zinc/11/09/70/569110970.db2.gz OIZQBCNABUUPMD-QGZVFWFLSA-N 0 0 437.496 3.711 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000036446989 569111241 /nfs/dbraw/zinc/11/12/41/569111241.db2.gz JURSQTHIZGIACY-XMMPIXPASA-N 0 0 441.531 3.611 50 0 IHAARN CCc1noc(-c2cc(=O)n(CC(=O)NCc3ccc(SC)cc3)c3ccccc23)n1 ZINC000065154414 569112229 /nfs/dbraw/zinc/11/22/29/569112229.db2.gz QVLFGGIDVISZMV-UHFFFAOYSA-N 0 0 434.521 3.652 50 0 IHAARN CCOc1ccc(NC(=O)c2cnc(N3CCN(c4cc(C)ccc4C)CC3)nc2N)cc1 ZINC000065154841 569112318 /nfs/dbraw/zinc/11/23/18/569112318.db2.gz STSCMUQGHBNUHR-UHFFFAOYSA-N 0 0 446.555 3.653 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C3)cc1 ZINC000065169090 569112713 /nfs/dbraw/zinc/11/27/13/569112713.db2.gz OSVGYUWYCXUTRS-UHFFFAOYSA-N 0 0 449.454 3.918 50 0 IHAARN Cc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000065170986 569112815 /nfs/dbraw/zinc/11/28/15/569112815.db2.gz HNKBOGCZNAFAMB-UHFFFAOYSA-N 0 0 445.426 3.881 50 0 IHAARN COc1ccc(NC(=O)c2csc(-c3ccc(N4CCOCC4)nc3)n2)cc1Cl ZINC000065165509 569112964 /nfs/dbraw/zinc/11/29/64/569112964.db2.gz IIDCOLZLCMJWPW-UHFFFAOYSA-N 0 0 430.917 3.956 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)CC1 ZINC000065165996 569113133 /nfs/dbraw/zinc/11/31/33/569113133.db2.gz WCPRAXBHJZIQSQ-UHFFFAOYSA-N 0 0 441.572 3.831 50 0 IHAARN CC(C)C(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)n1 ZINC000065173531 569113256 /nfs/dbraw/zinc/11/32/56/569113256.db2.gz SORIHCPSWXWPQK-SFHVURJKSA-N 0 0 428.602 3.544 50 0 IHAARN Cc1ccc(N2N=C(C(=O)NCc3ccc(Cl)cc3)S(=O)(=O)c3cccnc32)cc1 ZINC000065183462 569113915 /nfs/dbraw/zinc/11/39/15/569113915.db2.gz FDBPWXQZDRVHRA-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN Cc1ccc(N2N=C(C(=O)NCc3ccccc3Cl)S(=O)(=O)c3cccnc32)cc1 ZINC000065183460 569113926 /nfs/dbraw/zinc/11/39/26/569113926.db2.gz DQNAKAIRVOEDJB-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000065183509 569113930 /nfs/dbraw/zinc/11/39/30/569113930.db2.gz TVGXBSMINDFPQD-UHFFFAOYSA-N 0 0 439.006 3.992 50 0 IHAARN Cc1ccc(N2N=C(C(=O)NCc3cccc(Cl)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000065183461 569113952 /nfs/dbraw/zinc/11/39/52/569113952.db2.gz ZWLVMHXOAHLBNH-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1C ZINC000065179050 569114634 /nfs/dbraw/zinc/11/46/34/569114634.db2.gz QXMUFQJWMOAZLT-OAQYLSRUSA-N 0 0 436.552 3.707 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 ZINC000065197579 569114848 /nfs/dbraw/zinc/11/48/48/569114848.db2.gz QSQIJYZZPDBXTR-UHFFFAOYSA-N 0 0 435.871 3.869 50 0 IHAARN C=Cc1ccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199051 569115091 /nfs/dbraw/zinc/11/50/91/569115091.db2.gz AUVJZHGSIJBRRJ-UHFFFAOYSA-N 0 0 448.504 3.805 50 0 IHAARN O=C(COc1cccc(Cl)c1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200536 569115198 /nfs/dbraw/zinc/11/51/98/569115198.db2.gz FNMDIAMRRYROKP-UHFFFAOYSA-N 0 0 434.993 3.510 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3cc(C)nc(-c4cccc(Cl)c4)n3c2=O)c1 ZINC000065196510 569115713 /nfs/dbraw/zinc/11/57/13/569115713.db2.gz GGXQXEWXKIACCK-UHFFFAOYSA-N 0 0 439.928 3.880 50 0 IHAARN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065202461 569116035 /nfs/dbraw/zinc/11/60/35/569116035.db2.gz MXYAAFRUEDZAEI-UHFFFAOYSA-N 0 0 426.398 3.522 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1ccc(F)c(F)c1 ZINC000065209362 569116131 /nfs/dbraw/zinc/11/61/31/569116131.db2.gz AAAGNAJTEWRAPQ-GOSISDBHSA-N 0 0 430.480 3.615 50 0 IHAARN CC(=O)Nc1cccc2c1CCN(Cc1cc(I)c(O)cc1C)C2 ZINC000170591096 569140778 /nfs/dbraw/zinc/14/07/78/569140778.db2.gz KWMWYRXXJYHNDT-UHFFFAOYSA-N 0 0 436.293 3.822 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)c(OC)c1 ZINC000065210360 569116361 /nfs/dbraw/zinc/11/63/61/569116361.db2.gz SWQLEIRALCTBKU-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN CCc1nc(-c2cccnc2SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1 ZINC000065211203 569116468 /nfs/dbraw/zinc/11/64/68/569116468.db2.gz XFVVXWZBEZCKDI-UHFFFAOYSA-N 0 0 443.960 3.788 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000065225951 569117898 /nfs/dbraw/zinc/11/78/98/569117898.db2.gz BPOGWAJDVLXZEJ-UHFFFAOYSA-N 0 0 427.526 3.662 50 0 IHAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2C1=O ZINC000065241566 569118704 /nfs/dbraw/zinc/11/87/04/569118704.db2.gz WZLKYQGAPDOTNQ-UHFFFAOYSA-N 0 0 431.420 3.933 50 0 IHAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3cc(F)cc(F)c3)nc2C)cc1 ZINC000065233041 569119131 /nfs/dbraw/zinc/11/91/31/569119131.db2.gz RLYSMJDLKQZQFJ-UHFFFAOYSA-N 0 0 431.464 3.850 50 0 IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000065235491 569119186 /nfs/dbraw/zinc/11/91/86/569119186.db2.gz YUEPRCZXMCJNIX-UHFFFAOYSA-N 0 0 426.948 3.654 50 0 biogenic IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@@H]5CC)n4)ccn3n2)cc1 ZINC000065235866 569119416 /nfs/dbraw/zinc/11/94/16/569119416.db2.gz LGAWYHQFIJMDFI-FQEVSTJZSA-N 0 0 446.555 3.921 50 0 IHAARN COc1cccc(-c2nc(Cn3ccn4nc(-c5cc(C)ccc5C)cc4c3=O)no2)c1 ZINC000065235762 569119419 /nfs/dbraw/zinc/11/94/19/569119419.db2.gz JJZWNGMZDVYWOB-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000036579932 569119767 /nfs/dbraw/zinc/11/97/67/569119767.db2.gz PJBPPTMXVFKSRD-HXUWFJFHSA-N 0 0 447.564 3.943 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239251 569120239 /nfs/dbraw/zinc/12/02/39/569120239.db2.gz KJQPGTDXENQQIH-INIZCTEOSA-N 0 0 431.602 3.739 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccc(C)c3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239426 569120527 /nfs/dbraw/zinc/12/05/27/569120527.db2.gz GAHBTTYFKBTAKN-UHFFFAOYSA-N 0 0 437.565 3.624 50 0 IHAARN CCCN1c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2Sc2ncccc2C1=O ZINC000065241392 569121030 /nfs/dbraw/zinc/12/10/30/569121030.db2.gz XLKNHGZYBQTXMM-UHFFFAOYSA-N 0 0 439.537 3.582 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)cc1OC ZINC000065245203 569121592 /nfs/dbraw/zinc/12/15/92/569121592.db2.gz LLHCLLPZRWMQSI-MRXNPFEDSA-N 0 0 425.533 3.703 50 0 IHAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCCC5)o4)o3)CC2)cc1 ZINC000065246491 569121839 /nfs/dbraw/zinc/12/18/39/569121839.db2.gz SGPUBAUSHZYURV-UHFFFAOYSA-N 0 0 442.541 3.807 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c12 ZINC000036615886 569122656 /nfs/dbraw/zinc/12/26/56/569122656.db2.gz KYKXJOLUOYTUMT-UHFFFAOYSA-N 0 0 447.520 3.506 50 0 IHAARN CCCCN(C(=O)c1nc(C)n(C2CCN(S(C)(=O)=O)CC2)c1C)c1ccccc1 ZINC000065257432 569123441 /nfs/dbraw/zinc/12/34/41/569123441.db2.gz IUEMCXIQPNMIJG-UHFFFAOYSA-N 0 0 432.590 3.543 50 0 IHAARN CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C ZINC000036613259 569123664 /nfs/dbraw/zinc/12/36/64/569123664.db2.gz WQGOUINQGLFZNR-UHFFFAOYSA-N 0 0 438.919 3.752 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613368 569123879 /nfs/dbraw/zinc/12/38/79/569123879.db2.gz YYVQPNYMKKERPK-UHFFFAOYSA-N 0 0 447.564 3.663 50 0 IHAARN CCCN(C(=O)Cn1nc(C(F)F)c2c1CCC2)c1nc(C)c(C(=O)OCC)s1 ZINC000036614104 569123948 /nfs/dbraw/zinc/12/39/48/569123948.db2.gz ONPXVPXWVJGDHA-UHFFFAOYSA-N 0 0 426.489 3.694 50 0 IHAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000065258052 569124162 /nfs/dbraw/zinc/12/41/62/569124162.db2.gz XEHIQTPPYQOEMT-UHFFFAOYSA-N 0 0 427.455 3.886 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(NCCCN4CCOCC4)c4ccccc43)n2)cc1 ZINC000065258324 569124332 /nfs/dbraw/zinc/12/43/32/569124332.db2.gz XOETVPDBYIFAEC-UHFFFAOYSA-N 0 0 430.512 3.789 50 0 IHAARN COc1cccc(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)c1 ZINC000065258261 569124383 /nfs/dbraw/zinc/12/43/83/569124383.db2.gz OSTWDJCJUASRSW-UHFFFAOYSA-N 0 0 428.496 3.892 50 0 IHAARN COc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC2CCCC2)c(OC)c1 ZINC000065265886 569127342 /nfs/dbraw/zinc/12/73/42/569127342.db2.gz NOWXQFWVPFGEPY-SANMLTNESA-N 0 0 448.567 3.654 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c1 ZINC000065265978 569127471 /nfs/dbraw/zinc/12/74/71/569127471.db2.gz KJQBBGDCPJIVKK-VWLOTQADSA-N 0 0 436.556 3.510 50 0 IHAARN C=C1C(N2CCCN(C(=O)Nc3ccccc3C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271928 569128828 /nfs/dbraw/zinc/12/88/28/569128828.db2.gz HBCNHEZFCPADSL-UHFFFAOYSA-N 0 0 438.553 3.708 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(Cl)c2C)CC3)CC1 ZINC000065273236 569129318 /nfs/dbraw/zinc/12/93/18/569129318.db2.gz OLJOHAJHIALRRT-OAHLLOKOSA-N 0 0 432.977 3.517 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)cc2C)CC3)CC1 ZINC000065273283 569129395 /nfs/dbraw/zinc/12/93/95/569129395.db2.gz LUERHWZFVSLRRC-HNNXBMFYSA-N 0 0 432.977 3.517 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC3)CC1 ZINC000065273449 569129606 /nfs/dbraw/zinc/12/96/06/569129606.db2.gz FTPCXCUEQCNLNF-HNNXBMFYSA-N 0 0 447.004 3.907 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(CC)cc2)CC3)CC1 ZINC000065273564 569129745 /nfs/dbraw/zinc/12/97/45/569129745.db2.gz MMAUSKSCIFYMHX-QGZVFWFLSA-N 0 0 426.586 3.508 50 0 IHAARN COCCn1c2cnccc2nc1[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000065293006 569130847 /nfs/dbraw/zinc/13/08/47/569130847.db2.gz JBXNVWRDIZVPLA-KRWDZBQOSA-N 0 0 442.585 3.553 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc12 ZINC000065297154 569131737 /nfs/dbraw/zinc/13/17/37/569131737.db2.gz BJASPTONUZUPOF-UHFFFAOYSA-N 0 0 435.528 3.821 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307876 569132485 /nfs/dbraw/zinc/13/24/85/569132485.db2.gz TUKCYQHIVIHMSG-UHFFFAOYSA-N 0 0 436.903 3.852 50 0 IHAARN Cc1cc(Nc2ccc(C(=O)Nc3nccs3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000065301682 569132809 /nfs/dbraw/zinc/13/28/09/569132809.db2.gz BILGRIPNQSPRPD-UHFFFAOYSA-N 0 0 428.481 3.947 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccccc4)s3)C2)cc1 ZINC000036705276 569134392 /nfs/dbraw/zinc/13/43/92/569134392.db2.gz FQWWEAIQDMUZQG-QGZVFWFLSA-N 0 0 429.567 3.706 50 0 IHAARN O=C(NCCC1=CCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319141 569134721 /nfs/dbraw/zinc/13/47/21/569134721.db2.gz UHJMCQKTOQHEKH-UHFFFAOYSA-N 0 0 444.557 3.532 50 0 IHAARN O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700237 569135194 /nfs/dbraw/zinc/13/51/94/569135194.db2.gz UXJQMZBWHJKVER-GOSISDBHSA-N 0 0 429.369 3.735 50 0 IHAARN CCOc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O ZINC000036701659 569135634 /nfs/dbraw/zinc/13/56/34/569135634.db2.gz WBBMFNAKLGKZHU-YXKWSERDSA-N 0 0 427.892 3.694 50 0 IHAARN CCc1cccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2CC)c1 ZINC000065319902 569136013 /nfs/dbraw/zinc/13/60/13/569136013.db2.gz ZDVNQBFVWZJSAB-UHFFFAOYSA-N 0 0 443.598 3.766 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000065319879 569136022 /nfs/dbraw/zinc/13/60/22/569136022.db2.gz FGTMNLOXYJKTAJ-UHFFFAOYSA-N 0 0 447.561 3.651 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3cnc4ccccc43)CC2)cc1 ZINC000036708692 569136128 /nfs/dbraw/zinc/13/61/28/569136128.db2.gz XEMUNBNJMHUKHI-UHFFFAOYSA-N 0 0 439.581 3.700 50 0 IHAARN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2CC ZINC000065322188 569136634 /nfs/dbraw/zinc/13/66/34/569136634.db2.gz JZAPWOQORSIDIR-UHFFFAOYSA-N 0 0 437.544 3.736 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(-c3cccs3)nn21 ZINC000238898698 569137786 /nfs/dbraw/zinc/13/77/86/569137786.db2.gz RHBZPVYJRZIACG-UHFFFAOYSA-N 0 0 427.917 3.980 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4ccccc4s3)CC2)cc1C ZINC000036835693 569138414 /nfs/dbraw/zinc/13/84/14/569138414.db2.gz JVHCIXRMVNFRHR-UHFFFAOYSA-N 0 0 443.594 3.630 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)Nc2nncs2)C1 ZINC000065541083 569139536 /nfs/dbraw/zinc/13/95/36/569139536.db2.gz AVESBMGNTNCJLZ-QWRGUYRKSA-N 0 0 428.345 3.523 50 0 IHAARN O=C(NC1CCN(c2ncccn2)CC1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000065590023 569139931 /nfs/dbraw/zinc/13/99/31/569139931.db2.gz VVQZBAAPBDBESM-UHFFFAOYSA-N 0 0 434.725 3.773 50 0 IHAARN CCn1c(SCC(=O)N[C@@](C)(C(=O)OC)c2ccccc2)nnc1-c1ccccc1C ZINC000065589183 569139960 /nfs/dbraw/zinc/13/99/60/569139960.db2.gz OTNGTKLTXZDOOX-HSZRJFAPSA-N 0 0 438.553 3.570 50 0 IHAARN O=C(OC[C@@H]1CCCCO1)c1cc(I)ccc1Br ZINC000170593412 569141247 /nfs/dbraw/zinc/14/12/47/569141247.db2.gz STBLSUYTMYFUQO-JTQLQIEISA-N 0 0 425.060 3.780 50 0 IHAARN Cc1cnc(Br)cc1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000170600390 569142740 /nfs/dbraw/zinc/14/27/40/569142740.db2.gz ZOACNRZHTANTDU-UHFFFAOYSA-N 0 0 442.107 3.867 50 0 IHAARN COc1ccc(CC(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)cc1 ZINC000170605357 569143758 /nfs/dbraw/zinc/14/37/58/569143758.db2.gz MRSQRMDJIDHPJF-UHFFFAOYSA-N 0 0 436.346 3.809 50 0 IHAARN CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)OC(C)(C)C)C1 ZINC000170607582 569144235 /nfs/dbraw/zinc/14/42/35/569144235.db2.gz GCUPJYBUWHDRGZ-QWHCGFSZSA-N 0 0 427.588 3.592 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCc2ccncc2)CC1 ZINC000037285103 569145941 /nfs/dbraw/zinc/14/59/41/569145941.db2.gz KAGCWCZVXGWMJT-UHFFFAOYSA-N 0 0 428.536 3.719 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000170614916 569146497 /nfs/dbraw/zinc/14/64/97/569146497.db2.gz FRCKNUJHOKRELR-QYZOEREBSA-N 0 0 430.545 3.761 50 0 IHAARN Cn1cc([C@@H]2[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCCC3)CCC(=O)N2C)cn1 ZINC000170627120 569148656 /nfs/dbraw/zinc/14/86/56/569148656.db2.gz AKXBIOIPDSJHIC-PZJWPPBQSA-N 0 0 428.964 3.611 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009882148 569149540 /nfs/dbraw/zinc/14/95/40/569149540.db2.gz OPKDPYBHFFMAPD-GOSISDBHSA-N 0 0 446.500 3.659 50 0 IHAARN Cc1ccc(NC(=O)CSCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009882904 569149931 /nfs/dbraw/zinc/14/99/31/569149931.db2.gz ANKCJCUUCJRALA-UHFFFAOYSA-N 0 0 448.610 3.920 50 0 IHAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000009910374 569150449 /nfs/dbraw/zinc/15/04/49/569150449.db2.gz YXGOFQBWRSPHES-UHFFFAOYSA-N 0 0 426.567 3.869 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 ZINC000009910327 569150468 /nfs/dbraw/zinc/15/04/68/569150468.db2.gz MFAKDDTYHHXEGJ-MCMMXHMISA-N 0 0 445.491 3.649 50 0 IHAARN O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071287823 569150896 /nfs/dbraw/zinc/15/08/96/569150896.db2.gz KIBYILIZOASIML-UHFFFAOYSA-N 0 0 435.355 3.510 50 0 IHAARN O=C(NCCn1ccc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000071287889 569150931 /nfs/dbraw/zinc/15/09/31/569150931.db2.gz KYCGPSRJROHOTI-UHFFFAOYSA-N 0 0 431.945 3.655 50 0 IHAARN C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2C1 ZINC000010220664 569152930 /nfs/dbraw/zinc/15/29/30/569152930.db2.gz VRDSLXGQRLHYDR-AWEZNQCLSA-N 0 0 445.566 3.934 50 0 IHAARN COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)n2)c1 ZINC000010220833 569153064 /nfs/dbraw/zinc/15/30/64/569153064.db2.gz JGRQTAIXXYSGDK-UHFFFAOYSA-N 0 0 434.279 3.873 50 0 IHAARN CC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000010217901 569153359 /nfs/dbraw/zinc/15/33/59/569153359.db2.gz CLCAQDKFZQWXQQ-UHFFFAOYSA-N 0 0 431.583 3.571 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000010255001 569153923 /nfs/dbraw/zinc/15/39/23/569153923.db2.gz SJBWGZTVEISRMD-UHFFFAOYSA-N 0 0 438.553 3.812 50 0 IHAARN O=C(Cn1nc2c3scc(-c4ccc(F)cc4)c3ncn2c1=O)Nc1ccccc1F ZINC000013349970 569155291 /nfs/dbraw/zinc/15/52/91/569155291.db2.gz DAGHAGGLVRUMHO-UHFFFAOYSA-N 0 0 437.431 3.690 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1cccc(Cl)c1 ZINC000013526421 569155552 /nfs/dbraw/zinc/15/55/52/569155552.db2.gz LOUPFTXGKGBDCO-UHFFFAOYSA-N 0 0 428.279 3.907 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ncnc3[nH]cnc31)CCCCC2 ZINC000013572726 569155656 /nfs/dbraw/zinc/15/56/56/569155656.db2.gz SCEKWGDRCLLZDZ-JTQLQIEISA-N 0 0 431.543 3.589 50 0 IHAARN Cc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C ZINC000013572205 569155773 /nfs/dbraw/zinc/15/57/73/569155773.db2.gz UDICMINBRYQXPT-SJORKVTESA-N 0 0 427.595 3.541 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1F ZINC000013590982 569156278 /nfs/dbraw/zinc/15/62/78/569156278.db2.gz JYQZTQHUKCMYFI-DIUABYGMSA-N 0 0 448.519 3.603 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 ZINC000013710764 569156814 /nfs/dbraw/zinc/15/68/14/569156814.db2.gz BLCDQORHLSBUJF-OAHLLOKOSA-N 0 0 446.463 3.848 50 0 IHAARN COc1ccc(CCS(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 ZINC000013850483 569157285 /nfs/dbraw/zinc/15/72/85/569157285.db2.gz NGWYSYNYRJXZGU-UHFFFAOYSA-N 0 0 444.578 3.600 50 0 IHAARN Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000014318070 569158455 /nfs/dbraw/zinc/15/84/55/569158455.db2.gz CVFOCGGZXSLFLA-CQSZACIVSA-N 0 0 444.322 3.628 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1C(C)=O ZINC000014378755 569158860 /nfs/dbraw/zinc/15/88/60/569158860.db2.gz XQZXHHMEICSMJM-UHFFFAOYSA-N 0 0 428.444 3.946 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)cc1 ZINC000251449589 569158923 /nfs/dbraw/zinc/15/89/23/569158923.db2.gz CFXKFDBVNRLNNP-ZRBLBEILSA-N 0 0 443.478 3.702 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014526286 569159270 /nfs/dbraw/zinc/15/92/70/569159270.db2.gz ZIVSZBLOTJYDDX-QGZVFWFLSA-N 0 0 430.512 3.845 50 0 IHAARN Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000089629600 569160115 /nfs/dbraw/zinc/16/01/15/569160115.db2.gz OQLMVXMWHVLHIX-UHFFFAOYSA-N 0 0 431.330 3.557 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC000014653164 569160690 /nfs/dbraw/zinc/16/06/90/569160690.db2.gz PUUHTWRJZIFAGV-UHFFFAOYSA-N 0 0 438.528 3.656 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000016740737 569160803 /nfs/dbraw/zinc/16/08/03/569160803.db2.gz NAQPDMFXSQWJMM-VOSMRYOYSA-N 0 0 432.545 3.532 50 0 IHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O ZINC000016840111 569163076 /nfs/dbraw/zinc/16/30/76/569163076.db2.gz XECVOAWEUUEAMH-UHFFFAOYSA-N 0 0 445.922 3.699 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c1 ZINC000016843627 569163681 /nfs/dbraw/zinc/16/36/81/569163681.db2.gz HHGQIQJCNRYOMM-UHFFFAOYSA-N 0 0 429.571 3.676 50 0 IHAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ncccn2)CC1 ZINC000016850115 569164692 /nfs/dbraw/zinc/16/46/92/569164692.db2.gz PHBALWZRNHHQJI-UHFFFAOYSA-N 0 0 448.474 3.587 50 0 IHAARN COC(=O)c1cc(-c2ccccc2)nc2c1c(-c1ccco1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850621 569164754 /nfs/dbraw/zinc/16/47/54/569164754.db2.gz HQDPFEAXQSIPJI-OAHLLOKOSA-N 0 0 437.477 3.505 50 0 IHAARN COC(=O)c1cc(-c2cccs2)nc2c1c(-c1ccco1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850635 569164795 /nfs/dbraw/zinc/16/47/95/569164795.db2.gz ROIZLKXDXGLDNO-LBPRGKRZSA-N 0 0 443.506 3.566 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)cc1OC ZINC000016915040 569166111 /nfs/dbraw/zinc/16/61/11/569166111.db2.gz WQKZLSQTBTWTST-UHFFFAOYSA-N 0 0 440.525 3.660 50 0 IHAARN O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000089851118 569166201 /nfs/dbraw/zinc/16/62/01/569166201.db2.gz ZRKLIOGQWDLEFC-SFHVURJKSA-N 0 0 440.297 3.773 50 0 IHAARN COc1cc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc(OC)c1Br ZINC000089904888 569167122 /nfs/dbraw/zinc/16/71/22/569167122.db2.gz VBPGHEUJHAOUGL-FTJNGKRUSA-N 0 0 426.332 3.695 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)n1 ZINC000089984706 569170010 /nfs/dbraw/zinc/17/00/10/569170010.db2.gz YEMFPMHWXKHIMG-SFHVURJKSA-N 0 0 445.541 3.722 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207984111 569170074 /nfs/dbraw/zinc/17/00/74/569170074.db2.gz XQUWNMHJEONILV-INIZCTEOSA-N 0 0 446.327 3.976 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N[C@@H](C)c2ccccc2)cc1 ZINC000017051133 569171862 /nfs/dbraw/zinc/17/18/62/569171862.db2.gz ZCNQHQVMGBQEPP-AWEZNQCLSA-N 0 0 436.580 3.861 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccccc3Cl)n2n1 ZINC000017136137 569174485 /nfs/dbraw/zinc/17/44/85/569174485.db2.gz JRVZXKKNBXLMRB-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(I)cc1 ZINC000017192013 569175812 /nfs/dbraw/zinc/17/58/12/569175812.db2.gz VOLHOQNLMMDNDX-UHFFFAOYSA-N 0 0 445.260 3.557 50 0 IHAARN CCOc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 ZINC000017218395 569176140 /nfs/dbraw/zinc/17/61/40/569176140.db2.gz ZCSUTGSFJIXWEC-HNNXBMFYSA-N 0 0 442.541 3.609 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1 ZINC000001077866 569176721 /nfs/dbraw/zinc/17/67/21/569176721.db2.gz NMCIMVXQNRVWLD-UHFFFAOYSA-N 0 0 438.505 3.763 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000170636936 569178319 /nfs/dbraw/zinc/17/83/19/569178319.db2.gz BGIMDOJRPHIVDF-WFASDCNBSA-N 0 0 446.935 3.907 50 0 IHAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002096095 569179140 /nfs/dbraw/zinc/17/91/40/569179140.db2.gz MOQUDWSJMGRBCK-HXUWFJFHSA-N 0 0 443.521 3.716 50 0 biogenic IHAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000002094685 569179153 /nfs/dbraw/zinc/17/91/53/569179153.db2.gz UPMRAEFZJSUEAO-UHFFFAOYSA-N 0 0 444.436 3.789 50 0 biogenic IHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c1OC ZINC000002104211 569180249 /nfs/dbraw/zinc/18/02/49/569180249.db2.gz MZPCVNWTOHXARC-RDPSFJRHSA-N 0 0 447.535 3.526 50 0 biogenic IHAARN CCOCCCN1CC(=O)N2[C@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002108454 569181672 /nfs/dbraw/zinc/18/16/72/569181672.db2.gz NJCYRDFGCFLQBR-WIOPSUGQSA-N 0 0 431.536 3.588 50 0 biogenic IHAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N21 ZINC000002117261 569182438 /nfs/dbraw/zinc/18/24/38/569182438.db2.gz UVPHCLCNFXTFMC-OFVILXPXSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000002115924 569182482 /nfs/dbraw/zinc/18/24/82/569182482.db2.gz WKXAEZOMOOQBKK-WIOPSUGQSA-N 0 0 425.488 3.954 50 0 biogenic IHAARN COc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c4ccccc4[nH]c32)c1 ZINC000002120566 569183463 /nfs/dbraw/zinc/18/34/63/569183463.db2.gz LDOPGQBXVCXINY-UHFFFAOYSA-N 0 0 444.535 3.844 50 0 biogenic IHAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 ZINC000002125912 569184038 /nfs/dbraw/zinc/18/40/38/569184038.db2.gz XGICGWXVAMCVRZ-UHFFFAOYSA-N 0 0 438.524 3.720 50 0 biogenic IHAARN COCCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037375622 569185524 /nfs/dbraw/zinc/18/55/24/569185524.db2.gz RUMINTNQCSRROH-UHFFFAOYSA-N 0 0 426.883 3.975 50 0 IHAARN Cn1nnnc1SCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208011138 569186154 /nfs/dbraw/zinc/18/61/54/569186154.db2.gz RJEVKLINHDQVED-UHFFFAOYSA-N 0 0 426.502 3.871 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 ZINC000208046350 569187796 /nfs/dbraw/zinc/18/77/96/569187796.db2.gz WJZKPGQLRWOWDV-IBGZPJMESA-N 0 0 439.002 3.911 50 0 IHAARN C[C@@H]1CC[C@H](C(=O)OCc2ccc(Br)cc2COC(=O)[C@@H]2CC[C@H](C)O2)O1 ZINC000252500079 569188079 /nfs/dbraw/zinc/18/80/79/569188079.db2.gz SMVFDYNPKAIUFG-OBQMCUGOSA-N 0 0 441.318 3.671 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)c(OCC(F)(F)F)c1 ZINC000252501286 569188217 /nfs/dbraw/zinc/18/82/17/569188217.db2.gz UDMACDZSRLMCCX-HIFRSBDPSA-N 0 0 432.439 3.947 50 0 IHAARN COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000010337541 569188332 /nfs/dbraw/zinc/18/83/32/569188332.db2.gz QNWVYDOGXZGGQB-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000252511428 569188703 /nfs/dbraw/zinc/18/87/03/569188703.db2.gz GRDKKWFQNXNNII-MMACOIQUSA-N 0 0 448.922 3.985 50 0 IHAARN CSC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000252512045 569188876 /nfs/dbraw/zinc/18/88/76/569188876.db2.gz LTPAMGYEPGYYNG-IIAWOOMASA-N 0 0 429.369 3.516 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc3cccnc31)C2=O ZINC000170647409 569189354 /nfs/dbraw/zinc/18/93/54/569189354.db2.gz XFASOVMXYUSYLI-HOYKHHGWSA-N 0 0 438.528 3.740 50 0 IHAARN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[C@H]1O ZINC000252527923 569189797 /nfs/dbraw/zinc/18/97/97/569189797.db2.gz DRYPBXVOCZPFQD-NEULZYRMSA-N 0 0 432.344 3.606 50 0 IHAARN COCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002198735 569191524 /nfs/dbraw/zinc/19/15/24/569191524.db2.gz FMGDXCCGWHYODY-UHFFFAOYSA-N 0 0 443.429 3.941 50 0 IHAARN C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000252586503 569191567 /nfs/dbraw/zinc/19/15/67/569191567.db2.gz QOJMGONMYUKNHN-FXAWDEMLSA-N 0 0 429.561 3.615 50 0 IHAARN CCC[C@@H](C(=O)NN1CCOCC1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037398127 569193601 /nfs/dbraw/zinc/19/36/01/569193601.db2.gz LBOWWZLKWQORBQ-NRFANRHFSA-N 0 0 426.948 3.985 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)C(C)C)C3CC3)ccc2OC)cc1 ZINC000037400337 569194903 /nfs/dbraw/zinc/19/49/03/569194903.db2.gz LUYMZLORJRAWMX-UHFFFAOYSA-N 0 0 433.526 3.619 50 0 IHAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)CC(C)C ZINC000037401280 569195162 /nfs/dbraw/zinc/19/51/62/569195162.db2.gz FMEOAWVNEKDASR-UHFFFAOYSA-N 0 0 447.557 3.600 50 0 IHAARN Cc1cs/c(=N\C(=O)c2cccc(C)c2)n1Cc1ccc(C(=O)NCc2ccccn2)o1 ZINC000037437564 569196287 /nfs/dbraw/zinc/19/62/87/569196287.db2.gz AUCQRQOQODOEEH-PNHLSOANSA-N 0 0 446.532 3.874 50 0 IHAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000037525855 569199079 /nfs/dbraw/zinc/19/90/79/569199079.db2.gz BCHNMKUPNCBQQU-UHFFFAOYSA-N 0 0 426.536 3.822 50 0 IHAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2cccc(F)c2)cc1 ZINC000037546865 569200227 /nfs/dbraw/zinc/20/02/27/569200227.db2.gz KVDXBQITBMKPJI-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000252670589 569209882 /nfs/dbraw/zinc/20/98/82/569209882.db2.gz LBYRYAHQGKMPRG-GOSISDBHSA-N 0 0 444.965 3.513 50 0 IHAARN CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc1ccc(C(C)=O)cc1 ZINC000252677360 569210509 /nfs/dbraw/zinc/21/05/09/569210509.db2.gz YMGRUEJTCHJWKF-UHFFFAOYSA-N 0 0 427.254 3.907 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(F)(F)F)c1)c2=O ZINC000003632044 569211924 /nfs/dbraw/zinc/21/19/24/569211924.db2.gz JVJFSDIWCMRZTK-OAHLLOKOSA-N 0 0 449.454 3.976 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000003436357 569211949 /nfs/dbraw/zinc/21/19/49/569211949.db2.gz XONSTFJNGSHXGG-VQHVLOKHSA-N 0 0 445.493 3.719 50 0 IHAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CS(=O)(=O)C2 ZINC000003008426 569212902 /nfs/dbraw/zinc/21/29/02/569212902.db2.gz PIILBODRESJLDU-UHFFFAOYSA-N 0 0 437.521 3.550 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CS(=O)(=O)C3)cc1 ZINC000003008545 569212972 /nfs/dbraw/zinc/21/29/72/569212972.db2.gz CVQDQWQJDRPCOK-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1Cl ZINC000002263946 569216071 /nfs/dbraw/zinc/21/60/71/569216071.db2.gz KPIOZEJMNQDWBX-UHFFFAOYSA-N 0 0 447.948 3.839 50 0 IHAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000001460852 569256457 /nfs/dbraw/zinc/25/64/57/569256457.db2.gz UIDDXYTVTPXDPS-JLBUNGTFSA-N 0 0 431.916 3.905 50 0 IHAARN Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)ccc21 ZINC000002285815 569263862 /nfs/dbraw/zinc/26/38/62/569263862.db2.gz WOODERVCXQCPRD-NKFKGCMQSA-N 0 0 439.515 3.961 50 0 IHAARN O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000253394079 569264471 /nfs/dbraw/zinc/26/44/71/569264471.db2.gz ABWWTGPXBYRPSK-UHFFFAOYSA-N 0 0 448.367 3.722 50 0 IHAARN O=S1(=O)Cc2cc(Br)ccc2N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000253397815 569264702 /nfs/dbraw/zinc/26/47/02/569264702.db2.gz PGANUELXQPXHEH-UHFFFAOYSA-N 0 0 430.707 3.724 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000012076507 569264820 /nfs/dbraw/zinc/26/48/20/569264820.db2.gz QXINEBYSEBPHCZ-SANMLTNESA-N 0 0 436.552 3.590 50 0 IHAARN COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000253401771 569264976 /nfs/dbraw/zinc/26/49/76/569264976.db2.gz NMMLMTIDIYEPJB-HXUWFJFHSA-N 0 0 441.487 3.688 50 0 IHAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000027532182 569266581 /nfs/dbraw/zinc/26/65/81/569266581.db2.gz KZZJBEPDFWJMQV-UHFFFAOYSA-N 0 0 447.491 3.842 50 0 IHAARN CCCCOc1ccc(-n2c(N)c(C(=O)NCCOC)c3nc4ccccc4nc32)cc1 ZINC000002303346 569271538 /nfs/dbraw/zinc/27/15/38/569271538.db2.gz CIUKOXKXEIIQQS-UHFFFAOYSA-N 0 0 433.512 3.711 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCCC2)cc1OC ZINC000002338668 569274940 /nfs/dbraw/zinc/27/49/40/569274940.db2.gz VTDDCBDVQNFDIC-QNGOZBTKSA-N 0 0 447.535 3.979 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)Cc1ccncc1 ZINC000055042229 569275063 /nfs/dbraw/zinc/27/50/63/569275063.db2.gz PCGDFFIGOMWGSA-UHFFFAOYSA-N 0 0 426.586 3.930 50 0 IHAARN CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000017960219 569282688 /nfs/dbraw/zinc/28/26/88/569282688.db2.gz XWTOZYRZYUMQCF-UHFFFAOYSA-N 0 0 443.594 3.543 50 0 IHAARN CCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)ccc1O ZINC000002351262 569282827 /nfs/dbraw/zinc/28/28/27/569282827.db2.gz JQDYHUFDJFGBLK-HXUWFJFHSA-N 0 0 443.883 3.787 50 0 IHAARN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc2cc(Cl)ccn2n1 ZINC000253630131 569284444 /nfs/dbraw/zinc/28/44/44/569284444.db2.gz KVFQAJPHCBYFQN-UHFFFAOYSA-N 0 0 433.795 3.542 50 0 IHAARN COc1ccc(CCn2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000002361061 569286764 /nfs/dbraw/zinc/28/67/64/569286764.db2.gz SNDSANAULXPOEL-UHFFFAOYSA-N 0 0 447.539 3.812 50 0 IHAARN COc1ccc(Br)cc1/C=c1\sc2nc(-c3cccc(Cl)c3)nn2c1=O ZINC000002361124 569286812 /nfs/dbraw/zinc/28/68/12/569286812.db2.gz YAUVSBDVVZVPAX-DHDCSXOGSA-N 0 0 448.729 3.790 50 0 IHAARN COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC ZINC000002365986 569288365 /nfs/dbraw/zinc/28/83/65/569288365.db2.gz YJCLNMFONCIAIZ-CABCVRRESA-N 0 0 430.306 3.786 50 0 IHAARN CCCCCOC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 ZINC000002408633 569300465 /nfs/dbraw/zinc/30/04/65/569300465.db2.gz MSYFKSBVJGRKIL-UHFFFAOYSA-N 0 0 430.559 3.594 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)CC2=O)c(OC)c1 ZINC000257199390 569301835 /nfs/dbraw/zinc/30/18/35/569301835.db2.gz FHSXSNPSRYDCDL-QRWLVFNGSA-N 0 0 433.508 3.732 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002422856 569302281 /nfs/dbraw/zinc/30/22/81/569302281.db2.gz FLZSHEQGLFRKQL-ROUUACIJSA-N 0 0 427.892 3.671 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000002443081 569304279 /nfs/dbraw/zinc/30/42/79/569304279.db2.gz XUOGPEVDNSIOMY-UHFFFAOYSA-N 0 0 432.509 3.813 50 0 IHAARN COCC(=O)Nc1c2cc(NC(C)C)cnc2n(CCCc2ccccc2)c1C(=O)OC ZINC000014534231 569304864 /nfs/dbraw/zinc/30/48/64/569304864.db2.gz ZAZBZQDRNPBOLW-UHFFFAOYSA-N 0 0 438.528 3.861 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000013013394 569307033 /nfs/dbraw/zinc/30/70/33/569307033.db2.gz KJIYRAYZCLGYNU-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)c(C)c1 ZINC000013041251 569308102 /nfs/dbraw/zinc/30/81/02/569308102.db2.gz IRFAADPFOTUJPJ-UHFFFAOYSA-N 0 0 443.613 3.680 50 0 IHAARN COc1ccccc1/C=C(/C(=O)OCC(=O)NC(=O)NC1CCCCC1)c1ccccc1 ZINC000013100585 569309996 /nfs/dbraw/zinc/30/99/96/569309996.db2.gz XQKNNNKRAMMHDN-LTGZKZEYSA-N 0 0 436.508 3.938 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1Cl ZINC000013100983 569310023 /nfs/dbraw/zinc/31/00/23/569310023.db2.gz WCRIJVLOYUORRD-HSZRJFAPSA-N 0 0 437.883 3.908 50 0 IHAARN O=C([C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000013126790 569311263 /nfs/dbraw/zinc/31/12/63/569311263.db2.gz HZJDICDQPPSWBV-FQEVSTJZSA-N 0 0 431.521 3.508 50 0 IHAARN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 ZINC000013149523 569312253 /nfs/dbraw/zinc/31/22/53/569312253.db2.gz LUFHTIMCDWYORT-UHFFFAOYSA-N 0 0 444.487 3.717 50 0 IHAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013164961 569312527 /nfs/dbraw/zinc/31/25/27/569312527.db2.gz CKDLHFROIRVICL-RCDICMHDSA-N 0 0 429.904 3.619 50 0 IHAARN CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000013352252 569313363 /nfs/dbraw/zinc/31/33/63/569313363.db2.gz ANPRUWOCNYWLTR-UHFFFAOYSA-N 0 0 435.568 3.882 50 0 IHAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1cccc(Cl)c1 ZINC000013361168 569314145 /nfs/dbraw/zinc/31/41/45/569314145.db2.gz QVEWCFWTDXMYPD-UHFFFAOYSA-N 0 0 429.914 3.973 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3CC)cc2C[C@@H]1C ZINC000013365832 569314240 /nfs/dbraw/zinc/31/42/40/569314240.db2.gz CSHNXLNTIGWRIO-INIZCTEOSA-N 0 0 428.554 3.739 50 0 IHAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)o1 ZINC000254395461 569316596 /nfs/dbraw/zinc/31/65/96/569316596.db2.gz RECYCGWDQJUZQQ-LSYVGTMDSA-N 0 0 437.540 3.728 50 0 IHAARN CC[C@H](C)N1CC(=O)N([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O ZINC000328595591 569317691 /nfs/dbraw/zinc/31/76/91/569317691.db2.gz YTNSGKQSTCEADN-GOEBONIOSA-N 0 0 436.350 3.624 50 0 IHAARN CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1nccnc1C ZINC000328595339 569317736 /nfs/dbraw/zinc/31/77/36/569317736.db2.gz RMTWWRKZRYORBC-CQSZACIVSA-N 0 0 436.965 3.526 50 0 IHAARN COc1cc2ncn(CCCC(=O)OCc3ccc(SC)s3)c(=O)c2cc1OC ZINC000328599923 569318114 /nfs/dbraw/zinc/31/81/14/569318114.db2.gz ULCQKKWHCKHEEG-UHFFFAOYSA-N 0 0 434.539 3.721 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1 ZINC000078720203 569318590 /nfs/dbraw/zinc/31/85/90/569318590.db2.gz YSXFKKKLQFUBIQ-UHFFFAOYSA-N 0 0 447.520 3.688 50 0 IHAARN CCOc1ccc(-c2nc(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)sc2C)cc1 ZINC000078899719 569320109 /nfs/dbraw/zinc/32/01/09/569320109.db2.gz NBTFTIILQBHUQH-UHFFFAOYSA-N 0 0 427.530 3.976 50 0 IHAARN Cn1cccc1[C@H](O)CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000078931132 569320205 /nfs/dbraw/zinc/32/02/05/569320205.db2.gz RRGUKCGQPPYUJY-HXUWFJFHSA-N 0 0 449.580 3.675 50 0 IHAARN CCCCN(C)c1ncc(Cl)c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000078935118 569320319 /nfs/dbraw/zinc/32/03/19/569320319.db2.gz XFVBHBNJKUILBU-HNNXBMFYSA-N 0 0 439.988 3.838 50 0 IHAARN c1cnn([C@H]2CCCC[C@H]2Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000078967150 569320607 /nfs/dbraw/zinc/32/06/07/569320607.db2.gz ZKOFPAGHVHFMNR-MSOLQXFVSA-N 0 0 438.601 3.805 50 0 IHAARN Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000078972256 569321183 /nfs/dbraw/zinc/32/11/83/569321183.db2.gz DLVMYXCWUFDJNZ-OAQYLSRUSA-N 0 0 448.548 3.954 50 0 IHAARN CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@@H](O)c1ccccc1F ZINC000078994779 569321623 /nfs/dbraw/zinc/32/16/23/569321623.db2.gz YVSBCHPIIDHMSB-REWPJTCUSA-N 0 0 427.472 3.810 50 0 IHAARN COc1cccc(CN(C(=O)COCc2nc(C)no2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000079020112 569322399 /nfs/dbraw/zinc/32/23/99/569322399.db2.gz ZSMPWCFEJMFQAD-UHFFFAOYSA-N 0 0 425.529 3.901 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)N(CCO)c3ccc(Br)cc3)cc2)co1 ZINC000079102999 569325750 /nfs/dbraw/zinc/32/57/50/569325750.db2.gz WPSPJFRYJSFYCO-UHFFFAOYSA-N 0 0 437.315 3.600 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)Oc3cccc4cccnc43)c(Br)cc2N1 ZINC000079111894 569326122 /nfs/dbraw/zinc/32/61/22/569326122.db2.gz IMGJMUZYLHPLIL-UHFFFAOYSA-N 0 0 433.283 3.650 50 0 IHAARN CC1CCN(c2ccc(=O)n(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2)CC1 ZINC000079486939 569331092 /nfs/dbraw/zinc/33/10/92/569331092.db2.gz BILAKZNEZMFRIO-UHFFFAOYSA-N 0 0 444.579 3.818 50 0 IHAARN COc1ccc2cnn(CC(=O)Nc3cccc4c3ccn4CC(C)C)c(=O)c2c1OC ZINC000079486152 569331152 /nfs/dbraw/zinc/33/11/52/569331152.db2.gz QEMSYHBJVNJJQQ-UHFFFAOYSA-N 0 0 434.496 3.663 50 0 IHAARN O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019889981 569331760 /nfs/dbraw/zinc/33/17/60/569331760.db2.gz MVGDVOCCVZOLOI-QQTULTPQSA-N 0 0 425.532 3.802 50 0 IHAARN COc1ccc([C@H]2[C@@H](C(=O)NCCC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104644 569334172 /nfs/dbraw/zinc/33/41/72/569334172.db2.gz UJXSQXJADGRHQF-GOTSBHOMSA-N 0 0 440.540 3.785 50 0 IHAARN O=c1c2cc(NC(=S)N3CCN(Cc4ccccc4)CC3)ccc2nc2n1CCCCC2 ZINC000020105287 569334206 /nfs/dbraw/zinc/33/42/06/569334206.db2.gz WXXICLDVQJRHCX-UHFFFAOYSA-N 0 0 447.608 3.638 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117304 569335271 /nfs/dbraw/zinc/33/52/71/569335271.db2.gz VVDIYGTZBMMWTD-VXKWHMMOSA-N 0 0 440.565 3.959 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)S1(=O)=O ZINC000390829860 569354125 /nfs/dbraw/zinc/35/41/25/569354125.db2.gz HCLJLBWEFNBUIS-UHFFFAOYSA-N 0 0 439.459 3.511 50 0 IHAARN COc1ccc(Nc2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)c(OC)c1 ZINC000020212234 569356287 /nfs/dbraw/zinc/35/62/87/569356287.db2.gz SSXOOIPMXHTYMP-UHFFFAOYSA-N 0 0 448.523 3.738 50 0 IHAARN CN(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000095348948 569361611 /nfs/dbraw/zinc/36/16/11/569361611.db2.gz XBNBREDNDYHWIW-HXUWFJFHSA-N 0 0 441.578 3.568 50 0 IHAARN Cc1cc(NC(=O)CSCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)no1 ZINC000095348891 569361651 /nfs/dbraw/zinc/36/16/51/569361651.db2.gz JJOHBAFXLUBSHX-HXUWFJFHSA-N 0 0 439.537 3.960 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)cc1 ZINC000020381353 569362635 /nfs/dbraw/zinc/36/26/35/569362635.db2.gz DRJQILRRCPMNHX-UHFFFAOYSA-N 0 0 442.512 3.858 50 0 IHAARN CCOC(=O)C1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020381053 569362662 /nfs/dbraw/zinc/36/26/62/569362662.db2.gz RLGXZPNPKGSLGY-UHFFFAOYSA-N 0 0 442.512 3.986 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC(C(N)=O)CC2)cc1 ZINC000020381374 569362677 /nfs/dbraw/zinc/36/26/77/569362677.db2.gz KZAGEKSZMILCDM-UHFFFAOYSA-N 0 0 443.956 3.731 50 0 IHAARN C[C@H]1Sc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2NC1=O ZINC000095377604 569363130 /nfs/dbraw/zinc/36/31/30/569363130.db2.gz ZOIFIFGKFYRVPV-SNVBAGLBSA-N 0 0 449.326 3.583 50 0 IHAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(Br)cc1O ZINC000095381829 569363213 /nfs/dbraw/zinc/36/32/13/569363213.db2.gz VGWDFXACJVBKKS-HXPMCKFVSA-N 0 0 433.302 3.909 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)c1 ZINC000020413795 569364348 /nfs/dbraw/zinc/36/43/48/569364348.db2.gz XVKKVJDNWRZGKU-UHFFFAOYSA-N 0 0 428.510 3.567 50 0 IHAARN Cc1c2cnn(CC(=O)NCCc3ccccc3)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417849 569365030 /nfs/dbraw/zinc/36/50/30/569365030.db2.gz AABHWLZPXYWTDH-UHFFFAOYSA-N 0 0 448.954 3.875 50 0 IHAARN Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)NC[C@H]1CCCO1 ZINC000020437233 569365624 /nfs/dbraw/zinc/36/56/24/569365624.db2.gz LBFNHSXVBBVFBG-OAHLLOKOSA-N 0 0 448.354 3.943 50 0 IHAARN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000095432476 569366476 /nfs/dbraw/zinc/36/64/76/569366476.db2.gz RNMXDBLEJUHJQU-PGRDOPGGSA-N 0 0 440.588 3.578 50 0 IHAARN CN(C(=O)CCNC(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000095453989 569368241 /nfs/dbraw/zinc/36/82/41/569368241.db2.gz OAYWSXSBHQCRQU-GOSISDBHSA-N 0 0 431.577 3.829 50 0 IHAARN O=S(=O)(c1ccc(Br)c(Cl)c1)N(C[C@H](O)c1ccccc1)C1CC1 ZINC000095461979 569370058 /nfs/dbraw/zinc/37/00/58/569370058.db2.gz YTGICVPUACHPEU-KRWDZBQOSA-N 0 0 430.751 3.989 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465239 569370625 /nfs/dbraw/zinc/37/06/25/569370625.db2.gz WNJGZCJKPUKVNI-HZSPNIEDSA-N 0 0 442.869 3.770 50 0 IHAARN COc1cc([C@@H](NC(=O)CN(C)Cc2ccccc2)C(F)(F)F)cc(OC)c1OC ZINC000095466238 569370889 /nfs/dbraw/zinc/37/08/89/569370889.db2.gz DHOCOEAGHFKAQV-HXUWFJFHSA-N 0 0 426.435 3.564 50 0 IHAARN CCN(CCNS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1 ZINC000095470721 569371696 /nfs/dbraw/zinc/37/16/96/569371696.db2.gz IGYULVYSMRZPRF-UHFFFAOYSA-N 0 0 427.364 3.571 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)[nH]2)cc1 ZINC000095475252 569372776 /nfs/dbraw/zinc/37/27/76/569372776.db2.gz QXUTUBMOHIQHBS-UHFFFAOYSA-N 0 0 433.516 3.564 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2ccc(C)cc2)S1 ZINC000020896202 569375077 /nfs/dbraw/zinc/37/50/77/569375077.db2.gz SGBBDGJPMDWQDU-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN O=C(c1ccc(-n2cnnc2)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000095940340 569375426 /nfs/dbraw/zinc/37/54/26/569375426.db2.gz PQPDLIVRMLOUFX-UHFFFAOYSA-N 0 0 427.302 3.713 50 0 IHAARN Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C2)cc1 ZINC000095942601 569375574 /nfs/dbraw/zinc/37/55/74/569375574.db2.gz UJFGFQRVPIKCTK-QFIPXVFZSA-N 0 0 434.540 3.777 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000095947104 569376243 /nfs/dbraw/zinc/37/62/43/569376243.db2.gz NZWQPAWKMUACDJ-FYYLOGMGSA-N 0 0 435.524 3.703 50 0 IHAARN CC(C)N1C(=O)C[C@@H](C(=O)NCCc2cn3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095988720 569378064 /nfs/dbraw/zinc/37/80/64/569378064.db2.gz QYIBFUIZMLJZFA-VGSWGCGISA-N 0 0 442.922 3.784 50 0 IHAARN COC(=O)Nc1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1 ZINC000095987546 569378085 /nfs/dbraw/zinc/37/80/85/569378085.db2.gz SXLKWNARGVYOKV-UHFFFAOYSA-N 0 0 427.429 3.528 50 0 IHAARN CC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000095988880 569378162 /nfs/dbraw/zinc/37/81/62/569378162.db2.gz VSDPUOHJGSPKHG-KUHUBIRLSA-N 0 0 436.915 3.642 50 0 IHAARN CCOc1ccccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F ZINC000095993585 569378506 /nfs/dbraw/zinc/37/85/06/569378506.db2.gz GTFPMUOUHADAET-PBHICJAKSA-N 0 0 446.466 3.911 50 0 IHAARN COc1cccc([C@H](C)CC(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000095998354 569379048 /nfs/dbraw/zinc/37/90/48/569379048.db2.gz RCMHMQNDLPYSSU-YKSBVNFPSA-N 0 0 435.568 3.529 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095775 569381098 /nfs/dbraw/zinc/38/10/98/569381098.db2.gz ZYOZGPOLJJCEMY-BYCMXARLSA-N 0 0 445.488 3.740 50 0 IHAARN O=C(CCc1ccccc1Br)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096104123 569382131 /nfs/dbraw/zinc/38/21/31/569382131.db2.gz CBYQSSRTINFAOZ-UHFFFAOYSA-N 0 0 436.371 3.847 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4cc(Cl)ccc4F)CC3)C2=O)c1 ZINC000096105372 569382299 /nfs/dbraw/zinc/38/22/99/569382299.db2.gz AJJQFUWAPOKFCH-UHFFFAOYSA-N 0 0 443.906 3.823 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)cc1F ZINC000096105313 569382321 /nfs/dbraw/zinc/38/23/21/569382321.db2.gz NREYLPUCPHDEQF-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc(F)ccc4Cl)CC3)C2=O)cc1 ZINC000096105540 569382459 /nfs/dbraw/zinc/38/24/59/569382459.db2.gz ICPKIJCSWGAZFZ-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C(C)C)C2=O)cc1 ZINC000096115326 569383285 /nfs/dbraw/zinc/38/32/85/569383285.db2.gz PQKLIIRHJJTIHL-NRFANRHFSA-N 0 0 448.523 3.723 50 0 biogenic IHAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(ccn2Cc2ccccc2)c1 ZINC000096115562 569383349 /nfs/dbraw/zinc/38/33/49/569383349.db2.gz FHYXCWLMTXSODP-QFIPXVFZSA-N 0 0 438.487 3.769 50 0 biogenic IHAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117733 569384317 /nfs/dbraw/zinc/38/43/17/569384317.db2.gz DNDPYEHOIXWJFG-FZKQIMNGSA-N 0 0 433.530 3.915 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1 ZINC000096119851 569384815 /nfs/dbraw/zinc/38/48/15/569384815.db2.gz LAJFTJVVNZZPKX-UHFFFAOYSA-N 0 0 434.564 3.786 50 0 IHAARN CC[C@@H]1Sc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000096124744 569385484 /nfs/dbraw/zinc/38/54/84/569385484.db2.gz ULDYAANSNSERNA-SFHVURJKSA-N 0 0 446.550 3.515 50 0 IHAARN COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(C)cc(=O)oc21 ZINC000096220863 569386796 /nfs/dbraw/zinc/38/67/96/569386796.db2.gz VZYINRNNLUPWPI-GOSISDBHSA-N 0 0 445.471 3.763 50 0 biogenic IHAARN CC(C)[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 ZINC000096222133 569387054 /nfs/dbraw/zinc/38/70/54/569387054.db2.gz LZLHBHNZLPZNOC-QFIPXVFZSA-N 0 0 437.496 3.905 50 0 biogenic IHAARN Cc1ccccc1C(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000096236581 569387881 /nfs/dbraw/zinc/38/78/81/569387881.db2.gz XSNADDZEKZNLPK-UHFFFAOYSA-N 0 0 449.599 3.589 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCc2nc(N3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096281857 569390196 /nfs/dbraw/zinc/39/01/96/569390196.db2.gz DURLAPWRJTZXEK-UHFFFAOYSA-N 0 0 437.563 3.724 50 0 IHAARN COCCn1c(SCc2ccc(C(=O)NCc3ccco3)cc2)nnc1-c1ccco1 ZINC000096288351 569390415 /nfs/dbraw/zinc/39/04/15/569390415.db2.gz PNVGDCGLJAODCD-UHFFFAOYSA-N 0 0 438.509 4.000 50 0 IHAARN CCN1CCN(C(=O)c2ccc(CSc3nnc(C(C)C)n3[C@H](C)COC)cc2)CC1 ZINC000096290693 569391033 /nfs/dbraw/zinc/39/10/33/569391033.db2.gz DXOBXDCMWYLDBC-GOSISDBHSA-N 0 0 445.633 3.679 50 0 IHAARN COc1ccc(-c2noc(CCN(C(=O)Cc3ccc(F)cc3)C(C)C)n2)cc1OC ZINC000096291931 569391249 /nfs/dbraw/zinc/39/12/49/569391249.db2.gz RRQFEJMHSNDXPZ-UHFFFAOYSA-N 0 0 427.476 3.915 50 0 IHAARN O=C(c1ccccc1)N(C[C@H]1CCCO1)C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000096294496 569391804 /nfs/dbraw/zinc/39/18/04/569391804.db2.gz YEZHYBBSTDRTIU-WOJBJXKFSA-N 0 0 442.943 3.502 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)/C=C\c1ccc(I)o1)c1ccccc1 ZINC000096297735 569391907 /nfs/dbraw/zinc/39/19/07/569391907.db2.gz CJLQJTGTZQDTGQ-SECOEOQKSA-N 0 0 433.249 3.537 50 0 IHAARN CC[C@H](C)c1nc(COC)c(Cc2cccc(C)c2)c(N2CCN(C(=O)N(C)C)CC2)n1 ZINC000096317456 569393511 /nfs/dbraw/zinc/39/35/11/569393511.db2.gz GXUIASOZTJMGQL-IBGZPJMESA-N 0 0 439.604 3.839 50 0 IHAARN COCc1nc(C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317654 569393685 /nfs/dbraw/zinc/39/36/85/569393685.db2.gz LXJNBLAZIJBROK-UHFFFAOYSA-N 0 0 448.489 3.600 50 0 IHAARN COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)c1 ZINC000096322266 569394510 /nfs/dbraw/zinc/39/45/10/569394510.db2.gz OHQBLHQFXWQSGW-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5c(C)cccc5C)c(=O)n4ccn3n2)c1 ZINC000096322561 569394658 /nfs/dbraw/zinc/39/46/58/569394658.db2.gz FZJPIUFWHGMRBB-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000096324478 569395933 /nfs/dbraw/zinc/39/59/33/569395933.db2.gz ODNXPSZXBHCMIM-UHFFFAOYSA-N 0 0 440.544 3.950 50 0 IHAARN CC(C)N1CCn2c3ccc(C(=O)NCc4cccc(Br)c4)cc3nc2C1=O ZINC000096372430 569397846 /nfs/dbraw/zinc/39/78/46/569397846.db2.gz UQGMLLRGEWETMA-UHFFFAOYSA-N 0 0 441.329 3.593 50 0 IHAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000096376254 569398164 /nfs/dbraw/zinc/39/81/64/569398164.db2.gz LYDZLTMSEKOACF-UHFFFAOYSA-N 0 0 439.936 3.885 50 0 IHAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)c3ccc(Cl)s3)c2=O)cc1 ZINC000096386016 569398328 /nfs/dbraw/zinc/39/83/28/569398328.db2.gz ASNSHAILHOALTO-UHFFFAOYSA-N 0 0 426.929 3.700 50 0 IHAARN CCOc1ccc([C@H](C)NC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000096385810 569398345 /nfs/dbraw/zinc/39/83/45/569398345.db2.gz HSOPUGXSIVFPRA-INIZCTEOSA-N 0 0 434.471 3.602 50 0 IHAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4F)cs3)CC2)c1 ZINC000096386313 569398449 /nfs/dbraw/zinc/39/84/49/569398449.db2.gz LPECPYHPTNTHQY-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386449 569398538 /nfs/dbraw/zinc/39/85/38/569398538.db2.gz GRIJKPFPKSWJMY-UHFFFAOYSA-N 0 0 432.471 3.817 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386392 569398560 /nfs/dbraw/zinc/39/85/60/569398560.db2.gz FQPKYRUHSUAHNL-UHFFFAOYSA-N 0 0 432.471 3.817 50 0 IHAARN CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000096398254 569399569 /nfs/dbraw/zinc/39/95/69/569399569.db2.gz DPMROTYJJOQINN-OAHLLOKOSA-N 0 0 431.989 3.557 50 0 IHAARN Cn1c(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)nc2ccccc21 ZINC000096398381 569399724 /nfs/dbraw/zinc/39/97/24/569399724.db2.gz CUYSOSZXLSXDOH-MRXNPFEDSA-N 0 0 436.581 3.682 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2n[nH]c(C)c2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000096398928 569399833 /nfs/dbraw/zinc/39/98/33/569399833.db2.gz JWLITHLRGCBCFY-UHFFFAOYSA-N 0 0 427.457 3.680 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 ZINC000096399470 569400055 /nfs/dbraw/zinc/40/00/55/569400055.db2.gz MEDDAKJPBULLKQ-UHFFFAOYSA-N 0 0 437.568 3.797 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3C)sc2c1 ZINC000096399550 569400210 /nfs/dbraw/zinc/40/02/10/569400210.db2.gz VXOAFPVTRPCMBU-UHFFFAOYSA-N 0 0 435.596 3.775 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc4ncnc(N5CCCCC5)c4c3)CC2)c1 ZINC000096399956 569400266 /nfs/dbraw/zinc/40/02/66/569400266.db2.gz AZXGGDVECOONLM-UHFFFAOYSA-N 0 0 431.540 3.591 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1ccc([C@@H]2CN(Cc3ccccc3)C(=O)c3ccccc32)o1 ZINC000334162875 569402227 /nfs/dbraw/zinc/40/22/27/569402227.db2.gz FVGHCODMDSNXSI-DENIHFKCSA-N 0 0 430.504 3.976 50 0 IHAARN COc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000096941301 569402694 /nfs/dbraw/zinc/40/26/94/569402694.db2.gz SAQWTBBLPSJKQR-KRWDZBQOSA-N 0 0 445.523 3.616 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1ccc(C)cc1 ZINC000002498401 569405715 /nfs/dbraw/zinc/40/57/15/569405715.db2.gz SHSDNEHFMXFENQ-GOSISDBHSA-N 0 0 449.532 3.950 50 0 IHAARN COc1ccc(Br)c(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)c1 ZINC000225792828 569408946 /nfs/dbraw/zinc/40/89/46/569408946.db2.gz DGGMWHQADQTCTA-UHFFFAOYSA-N 0 0 445.361 3.525 50 0 IHAARN COc1ccc2oc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c(C)c2c1 ZINC000002619268 569410680 /nfs/dbraw/zinc/41/06/80/569410680.db2.gz GUZJFLFGWROMJI-UHFFFAOYSA-N 0 0 443.253 3.877 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000002623388 569411430 /nfs/dbraw/zinc/41/14/30/569411430.db2.gz ZDKDRDHLBGGBFG-UHFFFAOYSA-N 0 0 432.505 3.564 50 0 IHAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002633840 569412709 /nfs/dbraw/zinc/41/27/09/569412709.db2.gz WDBCDPKUWHTMHY-UHFFFAOYSA-N 0 0 434.292 3.619 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000002635466 569412892 /nfs/dbraw/zinc/41/28/92/569412892.db2.gz XGAXIHIKNPFCGF-QFIPXVFZSA-N 0 0 429.904 3.539 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1OCC ZINC000002637084 569413133 /nfs/dbraw/zinc/41/31/33/569413133.db2.gz KDCGLEMLFFKIGD-UHFFFAOYSA-N 0 0 449.551 3.893 50 0 IHAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002638378 569413268 /nfs/dbraw/zinc/41/32/68/569413268.db2.gz PVTPVEYEBPKVJV-UHFFFAOYSA-N 0 0 433.855 3.564 50 0 IHAARN CCOC(=O)[C@H]1CCCN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000002640960 569413675 /nfs/dbraw/zinc/41/36/75/569413675.db2.gz SQDOYQZUSZCQAH-HOTGVXAUSA-N 0 0 436.603 3.554 50 0 IHAARN O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 ZINC000002648982 569414559 /nfs/dbraw/zinc/41/45/59/569414559.db2.gz HACSITIUPDJVDG-JOCHJYFZSA-N 0 0 434.467 3.547 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000002653861 569415250 /nfs/dbraw/zinc/41/52/50/569415250.db2.gz WKZDRPKXRHVDON-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 ZINC000002655351 569415365 /nfs/dbraw/zinc/41/53/65/569415365.db2.gz JYRUVTJJJHEQKO-UHFFFAOYSA-N 0 0 429.527 3.510 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000002664749 569416439 /nfs/dbraw/zinc/41/64/39/569416439.db2.gz WYTJSPIERIQBCY-MWTRTKDXSA-N 0 0 443.931 3.587 50 0 IHAARN COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(S(=O)(=O)c2ccccc2)c1 ZINC000002756138 569420357 /nfs/dbraw/zinc/42/03/57/569420357.db2.gz VVXPEPQGLXXFDS-UHFFFAOYSA-N 0 0 435.457 3.887 50 0 IHAARN Cc1nn(CCCNC(=O)CSc2nc(C)cc(C(F)F)n2)c(C)c1Br ZINC000002793612 569422030 /nfs/dbraw/zinc/42/20/30/569422030.db2.gz WWWINNAQFWIZKB-UHFFFAOYSA-N 0 0 448.337 3.597 50 0 IHAARN Cn1nccc1CNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002793272 569422091 /nfs/dbraw/zinc/42/20/91/569422091.db2.gz BGPHPTPJDMYUHE-UHFFFAOYSA-N 0 0 440.838 3.794 50 0 IHAARN Cc1c(C(=O)NC2CCCCCC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922544 569425367 /nfs/dbraw/zinc/42/53/67/569425367.db2.gz HIIBFUJQTCGLPU-HNNXBMFYSA-N 0 0 444.601 3.620 50 0 IHAARN CCOC(CNC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C)OCC ZINC000002921709 569425419 /nfs/dbraw/zinc/42/54/19/569425419.db2.gz NRGVNDYOGYLRIP-UHFFFAOYSA-N 0 0 449.960 3.597 50 0 IHAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 ZINC000056903492 569427426 /nfs/dbraw/zinc/42/74/26/569427426.db2.gz GRSJGKSCOREQHX-UHFFFAOYSA-N 0 0 448.577 3.994 50 0 IHAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCc3csc4nc(C5CC5)cn34)nc21 ZINC000056903748 569427489 /nfs/dbraw/zinc/42/74/89/569427489.db2.gz MSFSLEGSOQRQPA-CYBMUJFWSA-N 0 0 430.555 3.894 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(-c3ccccc3F)s2)cc1 ZINC000029507841 569431302 /nfs/dbraw/zinc/43/13/02/569431302.db2.gz DEOXUCQSELQNSF-XYOKQWHBSA-N 0 0 430.526 3.574 50 0 IHAARN CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)c(F)c1 ZINC000029633068 569431599 /nfs/dbraw/zinc/43/15/99/569431599.db2.gz CUQHWHBUWUXBOA-UHFFFAOYSA-N 0 0 449.320 3.884 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)cc1 ZINC000227161514 569431697 /nfs/dbraw/zinc/43/16/97/569431697.db2.gz QHSYJVOIKRKRQN-CQSZACIVSA-N 0 0 430.302 3.727 50 0 IHAARN O=C(COc1ccc2ccccc2c1Br)NC[C@H]1COc2ccccc2O1 ZINC000029756639 569431906 /nfs/dbraw/zinc/43/19/06/569431906.db2.gz NVALFYSBCWQREG-HNNXBMFYSA-N 0 0 428.282 3.937 50 0 IHAARN CC[C@H](Sc1nc2ccccc2c2nc(-c3ccccc3)nn21)C(=O)NCCCOC ZINC000002969022 569433100 /nfs/dbraw/zinc/43/31/00/569433100.db2.gz MFPHBMCHKYUPCG-IBGZPJMESA-N 0 0 435.553 3.968 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O ZINC000029797644 569433541 /nfs/dbraw/zinc/43/35/41/569433541.db2.gz OAVNRKQOPIAETF-OAQYLSRUSA-N 0 0 448.519 3.896 50 0 IHAARN COC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000029797681 569433661 /nfs/dbraw/zinc/43/36/61/569433661.db2.gz WPABFQDADOENHE-HXUWFJFHSA-N 0 0 434.492 3.953 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1OC ZINC000057426284 569434577 /nfs/dbraw/zinc/43/45/77/569434577.db2.gz DXKIXJBUNHHVJD-UHFFFAOYSA-N 0 0 447.582 3.540 50 0 IHAARN CCCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2ccsc2c1=O ZINC000057426426 569434601 /nfs/dbraw/zinc/43/46/01/569434601.db2.gz FJMIRQNDOKOSTL-UHFFFAOYSA-N 0 0 447.582 3.684 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)c1 ZINC000057426866 569434706 /nfs/dbraw/zinc/43/47/06/569434706.db2.gz UDFOZFGQVATIRH-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1C ZINC000057427008 569434742 /nfs/dbraw/zinc/43/47/42/569434742.db2.gz FBYZFQFIKRVXBM-UHFFFAOYSA-N 0 0 433.533 3.553 50 0 IHAARN CCN(CCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccc(C)c1 ZINC000003006015 569435159 /nfs/dbraw/zinc/43/51/59/569435159.db2.gz WTGGIJAXQUYBRZ-UHFFFAOYSA-N 0 0 438.959 3.905 50 0 IHAARN O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000003019548 569435557 /nfs/dbraw/zinc/43/55/57/569435557.db2.gz WBHXVTQKPYJCGN-UHFFFAOYSA-N 0 0 430.545 3.967 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000057473092 569435684 /nfs/dbraw/zinc/43/56/84/569435684.db2.gz DWCISACGGLOAPD-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(CCc2cccs2)c1=O)c1ccccc1 ZINC000057473203 569435694 /nfs/dbraw/zinc/43/56/94/569435694.db2.gz PCTCMFVQVUKCBF-UHFFFAOYSA-N 0 0 433.533 3.521 50 0 IHAARN O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F ZINC000057473107 569435712 /nfs/dbraw/zinc/43/57/12/569435712.db2.gz JGKPGJJMBYLWTH-UHFFFAOYSA-N 0 0 437.858 3.643 50 0 IHAARN CCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000003028228 569436366 /nfs/dbraw/zinc/43/63/66/569436366.db2.gz SKNHZANZRADJAU-UHFFFAOYSA-N 0 0 444.322 3.732 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000057485980 569436371 /nfs/dbraw/zinc/43/63/71/569436371.db2.gz MHVUNORTWTXFLL-UHFFFAOYSA-N 0 0 437.496 3.613 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O ZINC000057486499 569436481 /nfs/dbraw/zinc/43/64/81/569436481.db2.gz KWJGNIZRGZXHMW-UHFFFAOYSA-N 0 0 431.496 3.661 50 0 IHAARN CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000057486741 569436548 /nfs/dbraw/zinc/43/65/48/569436548.db2.gz SMYKNDWDLHJPTK-UHFFFAOYSA-N 0 0 442.903 3.660 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000057487290 569436681 /nfs/dbraw/zinc/43/66/81/569436681.db2.gz ASFNLFQPQYOBSC-INIZCTEOSA-N 0 0 442.903 3.660 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000057489618 569437027 /nfs/dbraw/zinc/43/70/27/569437027.db2.gz PFWVXJFVZPSOSK-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O ZINC000057490764 569437240 /nfs/dbraw/zinc/43/72/40/569437240.db2.gz RFPHKINWVUEATD-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)NCCC1=CCCCC1 ZINC000057491402 569437321 /nfs/dbraw/zinc/43/73/21/569437321.db2.gz IIOMLFQKZGBSSU-UHFFFAOYSA-N 0 0 443.956 3.874 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1cc(F)ccc1F ZINC000057491543 569437347 /nfs/dbraw/zinc/43/73/47/569437347.db2.gz ZXJVKTZZYTVOJC-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c1 ZINC000057492623 569437468 /nfs/dbraw/zinc/43/74/68/569437468.db2.gz CCMNXCCRTOLLCS-UHFFFAOYSA-N 0 0 425.554 3.622 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c(C)c1 ZINC000057493198 569437562 /nfs/dbraw/zinc/43/75/62/569437562.db2.gz SIPZAWLPPFKJGJ-UHFFFAOYSA-N 0 0 445.544 3.958 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c(C)c1 ZINC000057494434 569437727 /nfs/dbraw/zinc/43/77/27/569437727.db2.gz NTJGMHRRFHZQQB-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN COc1ccc(CNC(=O)CNC(=S)N(Cc2ccco2)Cc2ccc(C)cc2)cc1 ZINC000003035527 569437932 /nfs/dbraw/zinc/43/79/32/569437932.db2.gz BDIQOJCLECUCBD-UHFFFAOYSA-N 0 0 437.565 3.790 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000003048093 569438735 /nfs/dbraw/zinc/43/87/35/569438735.db2.gz MSMRMCZIOBEGGT-UHFFFAOYSA-N 0 0 448.928 3.976 50 0 IHAARN COc1ccc(Br)cc1/C=C1\N=C(c2cncc(Br)c2)OC1=O ZINC000003052619 569439284 /nfs/dbraw/zinc/43/92/84/569439284.db2.gz WBAXNJKCAGAPTP-MLPAPPSSSA-N 0 0 438.075 3.960 50 0 IHAARN CCN(C(=O)[C@@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000057739581 569441157 /nfs/dbraw/zinc/44/11/57/569441157.db2.gz CMUZUWNRSRAHOS-NYTDYGLBSA-N 0 0 444.641 3.990 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2CCSc3ccccc32)ccc1C ZINC000057756032 569441333 /nfs/dbraw/zinc/44/13/33/569441333.db2.gz RVKSTUWTNPRFMF-UHFFFAOYSA-N 0 0 433.599 3.576 50 0 IHAARN Cc1ccc(NCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c(Br)c1 ZINC000057810231 569441603 /nfs/dbraw/zinc/44/16/03/569441603.db2.gz VWHOROACDHATMS-MRXNPFEDSA-N 0 0 443.407 3.518 50 0 IHAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n(-c2ccc(C)cc2)n1 ZINC000003234323 569442331 /nfs/dbraw/zinc/44/23/31/569442331.db2.gz QTDPFBUUZSLMLM-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 ZINC000030497264 569442892 /nfs/dbraw/zinc/44/28/92/569442892.db2.gz KUIYFXJORZMSRY-UHFFFAOYSA-N 0 0 439.489 3.826 50 0 IHAARN Cc1ncsc1CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003264252 569443346 /nfs/dbraw/zinc/44/33/46/569443346.db2.gz CAALPQNRALYGGG-UHFFFAOYSA-N 0 0 438.477 3.930 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O ZINC000003276949 569443720 /nfs/dbraw/zinc/44/37/20/569443720.db2.gz KSRLCUUXJGMMHL-AWEZNQCLSA-N 0 0 443.525 3.646 50 0 IHAARN O=C(OCc1csc(-c2ccccc2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000003278919 569443771 /nfs/dbraw/zinc/44/37/71/569443771.db2.gz ZAQYYOCQMDWQII-MRXNPFEDSA-N 0 0 436.489 3.678 50 0 IHAARN Cc1sc2nc(COC(=O)c3ccc(I)cc3)[nH]c(=O)c2c1C ZINC000003279323 569443804 /nfs/dbraw/zinc/44/38/04/569443804.db2.gz WSNKOLJPVIKWMT-UHFFFAOYSA-N 0 0 440.262 3.563 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCc2cccc(C(F)(F)F)c2)cc1OCC ZINC000003304229 569445170 /nfs/dbraw/zinc/44/51/70/569445170.db2.gz DSPJHPMUNFAKDQ-UHFFFAOYSA-N 0 0 425.403 3.976 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)OC)Cc2ccccc2Cl)cc1OCC ZINC000058029772 569445484 /nfs/dbraw/zinc/44/54/84/569445484.db2.gz UAYATGCQEVAKEC-UHFFFAOYSA-N 0 0 441.933 3.501 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1OCC ZINC000003334805 569446616 /nfs/dbraw/zinc/44/66/16/569446616.db2.gz NRZYNFZCKRMFMH-UHFFFAOYSA-N 0 0 427.497 3.565 50 0 IHAARN COc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000003339374 569446740 /nfs/dbraw/zinc/44/67/40/569446740.db2.gz KPADMMUFUIJWBQ-UHFFFAOYSA-N 0 0 441.578 3.552 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)C[C@@H](C)O1 ZINC000058110139 569447572 /nfs/dbraw/zinc/44/75/72/569447572.db2.gz RHTRGWYKIFFUPL-ZIAGYGMSSA-N 0 0 431.949 3.844 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nc(N)n[nH]1 ZINC000003367928 569448205 /nfs/dbraw/zinc/44/82/05/569448205.db2.gz WDLLAWZRAAZAGW-UHFFFAOYSA-N 0 0 437.934 3.676 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NC[C@H]1CCCO1 ZINC000003367695 569448223 /nfs/dbraw/zinc/44/82/23/569448223.db2.gz JFDKXSTUOJUVIY-OAHLLOKOSA-N 0 0 447.626 3.839 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000003369708 569448294 /nfs/dbraw/zinc/44/82/94/569448294.db2.gz AOZLALHMCNBYCQ-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN C[C@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000003370297 569448310 /nfs/dbraw/zinc/44/83/10/569448310.db2.gz BFZGQKWDVSFDEN-GJZGRUSLSA-N 0 0 444.507 3.940 50 0 IHAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)N1CCCC1 ZINC000003370947 569448527 /nfs/dbraw/zinc/44/85/27/569448527.db2.gz IQVZMOLUCRTQME-UHFFFAOYSA-N 0 0 432.933 3.866 50 0 IHAARN COc1ccc(CNC(=O)COC(=O)CSc2ccc(Br)cc2C)cc1 ZINC000003372860 569448583 /nfs/dbraw/zinc/44/85/83/569448583.db2.gz QAUDQMYRSDTVAG-UHFFFAOYSA-N 0 0 438.343 3.718 50 0 IHAARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC000504693385 569448873 /nfs/dbraw/zinc/44/88/73/569448873.db2.gz WPZSRZATXSVFMF-HTAPYJJXSA-N 0 0 434.540 3.541 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 ZINC000003404005 569449872 /nfs/dbraw/zinc/44/98/72/569449872.db2.gz HHVZNNDSKDJJKG-UHFFFAOYSA-N 0 0 438.340 3.534 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000003406563 569449919 /nfs/dbraw/zinc/44/99/19/569449919.db2.gz KWPBNICIXVHPSB-OAQYLSRUSA-N 0 0 432.307 3.888 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000003408826 569449988 /nfs/dbraw/zinc/44/99/88/569449988.db2.gz GTWOXFRIAKAKOW-UHFFFAOYSA-N 0 0 425.510 3.780 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1Cc1ccco1 ZINC000003415729 569450221 /nfs/dbraw/zinc/45/02/21/569450221.db2.gz WFXHMWQVKRWWJU-UHFFFAOYSA-N 0 0 448.475 3.549 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc2ccccn21)c1ccccc1 ZINC000003430140 569450758 /nfs/dbraw/zinc/45/07/58/569450758.db2.gz WJCHCOIWRUHTPV-INIZCTEOSA-N 0 0 431.521 3.951 50 0 IHAARN Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2cccc(Cl)c2)c1 ZINC000003430367 569450839 /nfs/dbraw/zinc/45/08/39/569450839.db2.gz RWEBDGFONHFABM-CYBMUJFWSA-N 0 0 429.933 3.880 50 0 IHAARN CCCNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1N ZINC000003439282 569451090 /nfs/dbraw/zinc/45/10/90/569451090.db2.gz NSWSMQQXSMAHQT-UHFFFAOYSA-N 0 0 432.553 3.801 50 0 IHAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC000003443825 569451349 /nfs/dbraw/zinc/45/13/49/569451349.db2.gz MAFCMXFPKZTIHW-UHFFFAOYSA-N 0 0 439.541 3.579 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)o2)cc1 ZINC000003448486 569451520 /nfs/dbraw/zinc/45/15/20/569451520.db2.gz XWQGEQHWRMVTRM-UHFFFAOYSA-N 0 0 440.525 3.958 50 0 IHAARN Cc1sc2nc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)[nH]c(=O)c2c1C ZINC000003452600 569451736 /nfs/dbraw/zinc/45/17/36/569451736.db2.gz HMIGLJCOLFWTRN-AWEZNQCLSA-N 0 0 441.538 3.535 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000003462229 569451922 /nfs/dbraw/zinc/45/19/22/569451922.db2.gz GZRAEBUBOIUEBP-UHFFFAOYSA-N 0 0 438.411 3.833 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc3C2=O)c1 ZINC000003471803 569452096 /nfs/dbraw/zinc/45/20/96/569452096.db2.gz BBWAYDUKDCRACR-UHFFFAOYSA-N 0 0 436.508 3.906 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)c1 ZINC000003483343 569452386 /nfs/dbraw/zinc/45/23/86/569452386.db2.gz KSRIXLGSAUNAND-UHFFFAOYSA-N 0 0 428.945 3.847 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003491028 569452503 /nfs/dbraw/zinc/45/25/03/569452503.db2.gz LMXXAGSWAPNFLQ-UHFFFAOYSA-N 0 0 445.500 3.904 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000058305139 569452829 /nfs/dbraw/zinc/45/28/29/569452829.db2.gz YUQRJOCMPODMRM-UHFFFAOYSA-N 0 0 445.516 3.530 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)c(OC)c1 ZINC000003522837 569453265 /nfs/dbraw/zinc/45/32/65/569453265.db2.gz YOXRQVZBMOBDGX-UHFFFAOYSA-N 0 0 425.437 3.927 50 0 IHAARN C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCc2ccccc21 ZINC000003544868 569453676 /nfs/dbraw/zinc/45/36/76/569453676.db2.gz WBIREPISLPVXQB-MRXNPFEDSA-N 0 0 440.455 3.622 50 0 IHAARN Cc1cc(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)n(-c2ccc(C)cc2)n1 ZINC000058367146 569453757 /nfs/dbraw/zinc/45/37/57/569453757.db2.gz VIGUDGYGBORFFH-UHFFFAOYSA-N 0 0 429.528 3.880 50 0 IHAARN CNC(=O)NC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000003557780 569453969 /nfs/dbraw/zinc/45/39/69/569453969.db2.gz NKALTQUYRQGFJR-NRFANRHFSA-N 0 0 429.432 3.849 50 0 IHAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000003558137 569453977 /nfs/dbraw/zinc/45/39/77/569453977.db2.gz FMGCUBWNTDRJTC-LJQANCHMSA-N 0 0 447.520 3.875 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)CC2 ZINC000031239345 569455067 /nfs/dbraw/zinc/45/50/67/569455067.db2.gz WBIJULWLJZQMJG-IBGZPJMESA-N 0 0 432.929 3.745 50 0 IHAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1c2ccccc2Sc2ccccc21 ZINC000031706146 569457017 /nfs/dbraw/zinc/45/70/17/569457017.db2.gz PJVFGMNRAZRACE-UHFFFAOYSA-N 0 0 443.484 3.807 50 0 IHAARN CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000031819912 569458078 /nfs/dbraw/zinc/45/80/78/569458078.db2.gz WFKQULQQBCARAV-UHFFFAOYSA-N 0 0 429.505 3.921 50 0 IHAARN CC[C@](C)(CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl)N1CCOCC1 ZINC000031930918 569458440 /nfs/dbraw/zinc/45/84/40/569458440.db2.gz MUZXTUNRUXZFAF-OAQYLSRUSA-N 0 0 439.387 3.777 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004064988 569458567 /nfs/dbraw/zinc/45/85/67/569458567.db2.gz WMFXLMDQUNVGID-YPBQGGFRSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032073500 569459312 /nfs/dbraw/zinc/45/93/12/569459312.db2.gz AHYUDXKERUVXIU-KRWDZBQOSA-N 0 0 447.362 3.852 50 0 IHAARN COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)c2ccc(Cl)cc2)cc1 ZINC000032095014 569459811 /nfs/dbraw/zinc/45/98/11/569459811.db2.gz HQQSRILQEOVFIR-UHFFFAOYSA-N 0 0 440.908 3.974 50 0 IHAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC ZINC000032096956 569459883 /nfs/dbraw/zinc/45/98/83/569459883.db2.gz WKIBCGGWIFTWKE-GFCCVEGCSA-N 0 0 429.864 3.774 50 0 IHAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000032201039 569460664 /nfs/dbraw/zinc/46/06/64/569460664.db2.gz ZNGKWUQOGZKWMW-AOMKIAJQSA-N 0 0 435.549 3.780 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000032454202 569461755 /nfs/dbraw/zinc/46/17/55/569461755.db2.gz BGCDKPBISZWHMQ-QHCPKHFHSA-N 0 0 442.581 3.822 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038180762 569462356 /nfs/dbraw/zinc/46/23/56/569462356.db2.gz HWTPIFMCSOYGEI-ZIAGYGMSSA-N 0 0 427.858 3.584 50 0 IHAARN NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 ZINC000008316044 569462595 /nfs/dbraw/zinc/46/25/95/569462595.db2.gz NZNSMFOMNUMEPB-UHFFFAOYSA-N 0 0 425.554 3.826 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5c(C)cccc5C)c(=O)n4ccn3n2)cc1C ZINC000038487218 569462899 /nfs/dbraw/zinc/46/28/99/569462899.db2.gz IUGBEOLDLRCVIN-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nn2)cc1 ZINC000038488080 569462958 /nfs/dbraw/zinc/46/29/58/569462958.db2.gz UHVUEDWIYHEDMK-UHFFFAOYSA-N 0 0 443.507 3.575 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)NCc1ccco1 ZINC000067207608 569464724 /nfs/dbraw/zinc/46/47/24/569464724.db2.gz ZIQMDNFYPGSSIJ-UHFFFAOYSA-N 0 0 427.258 3.877 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4Cl)ncn3n2)cc1 ZINC000067208940 569464763 /nfs/dbraw/zinc/46/47/63/569464763.db2.gz BYGWKJICCHPMRA-UHFFFAOYSA-N 0 0 425.851 3.552 50 0 IHAARN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000038632736 569465063 /nfs/dbraw/zinc/46/50/63/569465063.db2.gz NLSVWUPQSFHTMF-QHCPKHFHSA-N 0 0 440.565 3.550 50 0 IHAARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12c1ccc(Cl)cc1 ZINC000008451501 569465082 /nfs/dbraw/zinc/46/50/82/569465082.db2.gz CCPRXSMQSZTWCJ-GUXCAODWSA-N 0 0 448.700 3.723 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1 ZINC000067236697 569465455 /nfs/dbraw/zinc/46/54/55/569465455.db2.gz IYIHKFSKWKMSNM-UHFFFAOYSA-N 0 0 448.504 3.540 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1 ZINC000067245174 569465852 /nfs/dbraw/zinc/46/58/52/569465852.db2.gz ZYFSRCQYCHXZQU-UHFFFAOYSA-N 0 0 428.495 3.694 50 0 IHAARN CCCCOc1ccc(-c2cc3c4nn(Cc5c(C)noc5C)c(=O)n4ccn3n2)cc1 ZINC000067260528 569466399 /nfs/dbraw/zinc/46/63/99/569466399.db2.gz AIFFRMQIGHQXNX-UHFFFAOYSA-N 0 0 432.484 3.643 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(F)cc4F)ccn3n2)cc1C ZINC000067260878 569466422 /nfs/dbraw/zinc/46/64/22/569466422.db2.gz JWTCITBXACYEEX-UHFFFAOYSA-N 0 0 436.462 3.765 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(Cl)cc1 ZINC000067300506 569468231 /nfs/dbraw/zinc/46/82/31/569468231.db2.gz TYLXUOJEGKMSRC-UHFFFAOYSA-N 0 0 425.916 3.608 50 0 IHAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)NCCOc2ccc(F)cc2)cs1 ZINC000038739491 569468420 /nfs/dbraw/zinc/46/84/20/569468420.db2.gz PBMIGJUGWBMPAZ-IZZDOVSWSA-N 0 0 425.485 3.672 50 0 IHAARN CCc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000067317968 569468443 /nfs/dbraw/zinc/46/84/43/569468443.db2.gz OBQIDQULMWHTIV-UHFFFAOYSA-N 0 0 428.492 3.808 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)nc23)c(C)c1 ZINC000067319604 569468572 /nfs/dbraw/zinc/46/85/72/569468572.db2.gz VAGZIZWEOKMQBU-UHFFFAOYSA-N 0 0 447.564 3.592 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)NCCCc3ccccc3)c2c(=O)n1CC(C)C ZINC000067320038 569468592 /nfs/dbraw/zinc/46/85/92/569468592.db2.gz WOPZXQUMLIIYBN-UHFFFAOYSA-N 0 0 426.586 3.633 50 0 IHAARN COc1ccc([C@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067320144 569468607 /nfs/dbraw/zinc/46/86/07/569468607.db2.gz CRPPTQGLYGNIMW-INIZCTEOSA-N 0 0 442.585 3.770 50 0 IHAARN Cc1ccccc1-n1ccn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1=O ZINC000067320589 569468630 /nfs/dbraw/zinc/46/86/30/569468630.db2.gz XHABUNCJZXCOEA-UHFFFAOYSA-N 0 0 437.805 3.619 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(C)c2C)c1C ZINC000067322181 569468678 /nfs/dbraw/zinc/46/86/78/569468678.db2.gz MGAZXKYOFKWLBE-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2OC)c1C ZINC000067322166 569468683 /nfs/dbraw/zinc/46/86/83/569468683.db2.gz KSKHVYRFWVAAHQ-UHFFFAOYSA-N 0 0 443.891 3.538 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000067323143 569468782 /nfs/dbraw/zinc/46/87/82/569468782.db2.gz MIQJDJDFHLERHA-UHFFFAOYSA-N 0 0 431.855 3.669 50 0 IHAARN COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)c1 ZINC000067341544 569469073 /nfs/dbraw/zinc/46/90/73/569469073.db2.gz GQXLDBSICDBKBT-UHFFFAOYSA-N 0 0 430.395 3.544 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NCc1ccccc1 ZINC000008629812 569469490 /nfs/dbraw/zinc/46/94/90/569469490.db2.gz QMGNENZMYIVSSJ-ZDUSSCGKSA-N 0 0 430.913 3.533 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cnc21 ZINC000008704773 569470329 /nfs/dbraw/zinc/47/03/29/569470329.db2.gz LFKLGFYKGKLDSR-JOCHJYFZSA-N 0 0 427.508 3.992 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008708455 569470653 /nfs/dbraw/zinc/47/06/53/569470653.db2.gz DAKGONIKNXCLMP-INIZCTEOSA-N 0 0 428.432 3.932 50 0 IHAARN Cc1cccc(Nc2nnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)s2)c1 ZINC000008708252 569470675 /nfs/dbraw/zinc/47/06/75/569470675.db2.gz IBDCQLYDLLWHGF-UHFFFAOYSA-N 0 0 431.518 3.576 50 0 IHAARN Cc1csc2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)cc(=O)n12 ZINC000008710433 569470946 /nfs/dbraw/zinc/47/09/46/569470946.db2.gz QCOTVTKFBGIAPJ-UHFFFAOYSA-N 0 0 438.582 3.928 50 0 IHAARN C[C@@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cnc2scc(-c3ccccc3)c2c1=O ZINC000008717923 569471227 /nfs/dbraw/zinc/47/12/27/569471227.db2.gz ACQVJRSUXZPLNC-AWEZNQCLSA-N 0 0 445.500 3.924 50 0 IHAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008718713 569471297 /nfs/dbraw/zinc/47/12/97/569471297.db2.gz QFLAOGSFFVGKSQ-OXQOHEQNSA-N 0 0 445.610 3.541 50 0 IHAARN COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000008718636 569471351 /nfs/dbraw/zinc/47/13/51/569471351.db2.gz UPNXSXYNTGXHAD-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN CCc1ccccc1-n1c(SC[C@H]2COc3ccccc3O2)nnc1N1CCOCC1 ZINC000008724348 569472013 /nfs/dbraw/zinc/47/20/13/569472013.db2.gz MWNMFQGTWNILTI-GOSISDBHSA-N 0 0 438.553 3.598 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1N1CCOCC1 ZINC000008726088 569472233 /nfs/dbraw/zinc/47/22/33/569472233.db2.gz WDKQWUYZOGUCRK-UHFFFAOYSA-N 0 0 443.503 3.691 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000008726054 569472239 /nfs/dbraw/zinc/47/22/39/569472239.db2.gz SQTXQAQDKVTBFQ-UHFFFAOYSA-N 0 0 429.476 3.804 50 0 IHAARN CN(CC(=O)NCc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000008734826 569472566 /nfs/dbraw/zinc/47/25/66/569472566.db2.gz QCNKNNZRRABGGQ-UHFFFAOYSA-N 0 0 434.521 3.641 50 0 IHAARN O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000008749052 569473300 /nfs/dbraw/zinc/47/33/00/569473300.db2.gz NLELDJXGWXERSR-HNNXBMFYSA-N 0 0 445.928 3.598 50 0 IHAARN COc1cccc(NC(=O)Cn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@H]32)c1 ZINC000008752046 569473531 /nfs/dbraw/zinc/47/35/31/569473531.db2.gz LNLQCSGDEHJTLP-BFUOFWGJSA-N 0 0 440.546 3.803 50 0 IHAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000008762658 569474372 /nfs/dbraw/zinc/47/43/72/569474372.db2.gz OUNRJQDZXQTPBJ-CRAIPNDOSA-N 0 0 441.528 3.684 50 0 IHAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008766757 569474892 /nfs/dbraw/zinc/47/48/92/569474892.db2.gz VCNKXBMRWQZXDJ-MRVPVSSYSA-N 0 0 439.868 3.521 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C ZINC000008772139 569475258 /nfs/dbraw/zinc/47/52/58/569475258.db2.gz SSCOSFUDNWVLKG-ZDUSSCGKSA-N 0 0 446.887 3.627 50 0 IHAARN Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3cccc4nsnc43)c2n1 ZINC000008777811 569475431 /nfs/dbraw/zinc/47/54/31/569475431.db2.gz YQRIVDFRNCIDLV-UHFFFAOYSA-N 0 0 437.550 3.790 50 0 IHAARN CCc1ccc([C@@H]2CN3C(=O)CN(CCCOC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789138 569475928 /nfs/dbraw/zinc/47/59/28/569475928.db2.gz ITVWUTZRWUGTPU-IDISGSTGSA-N 0 0 445.563 3.798 50 0 biogenic IHAARN COc1ccc(CNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000008790893 569476115 /nfs/dbraw/zinc/47/61/15/569476115.db2.gz AGCUANIGFNRKHK-ZCYQVOJMSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN CCSc1nc2c(cnn2CCNC(=O)c2cc3ccccc3o2)c(N2CCCC2)n1 ZINC000008793641 569476392 /nfs/dbraw/zinc/47/63/92/569476392.db2.gz HAOBFALJZSVYHI-UHFFFAOYSA-N 0 0 436.541 3.715 50 0 IHAARN CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008828071 569477777 /nfs/dbraw/zinc/47/77/77/569477777.db2.gz ROLXUASDTQVFEP-ZWKOTPCHSA-N 0 0 440.443 3.716 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc2sc3c(c2c1=O)CCCC3 ZINC000008844179 569478606 /nfs/dbraw/zinc/47/86/06/569478606.db2.gz VSUWTPICDSVKPT-JTQLQIEISA-N 0 0 433.331 3.694 50 0 IHAARN CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008845798 569478887 /nfs/dbraw/zinc/47/88/87/569478887.db2.gz QAWRAEOZJWCMPV-GOSISDBHSA-N 0 0 444.285 3.824 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)c1 ZINC000008849919 569479322 /nfs/dbraw/zinc/47/93/22/569479322.db2.gz DTDDKMYCEZBHQU-CQSZACIVSA-N 0 0 446.598 3.633 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCSc3ccc(F)cc32)C1=O)Nc1ccc2ccccc2c1 ZINC000008862425 569480186 /nfs/dbraw/zinc/48/01/86/569480186.db2.gz KYPHPAIOZIYZCB-HSZRJFAPSA-N 0 0 435.480 3.861 50 0 IHAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000008867379 569480271 /nfs/dbraw/zinc/48/02/71/569480271.db2.gz HGUDFXPOBFYPQY-UHFFFAOYSA-N 0 0 428.219 3.848 50 0 IHAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 ZINC000008871574 569480838 /nfs/dbraw/zinc/48/08/38/569480838.db2.gz KMEORVVSOVESBR-UHFFFAOYSA-N 0 0 437.424 3.989 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC(C)C ZINC000008876276 569481070 /nfs/dbraw/zinc/48/10/70/569481070.db2.gz RCLHISSQUHDLQE-OOULBGLYSA-N 0 0 445.629 3.728 50 0 biogenic IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(C)c(C)c(=O)oc4c3C)c2c1 ZINC000008877439 569481187 /nfs/dbraw/zinc/48/11/87/569481187.db2.gz AHUWNPPUDPUXTM-UHFFFAOYSA-N 0 0 434.492 3.946 50 0 biogenic IHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000008878602 569481332 /nfs/dbraw/zinc/48/13/32/569481332.db2.gz UTCMJHDRMNTMGI-NZQKXSOJSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CSc1ncc(C(=O)O[C@@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000039996278 569482393 /nfs/dbraw/zinc/48/23/93/569482393.db2.gz CBIOAJBOWJIIHJ-ZDUSSCGKSA-N 0 0 431.464 3.734 50 0 IHAARN COc1cc(C(=O)Oc2ccc3cc(Br)ccc3c2)ccc1OCC(N)=O ZINC000039994081 569482406 /nfs/dbraw/zinc/48/24/06/569482406.db2.gz PZVDFQTXTORNNS-UHFFFAOYSA-N 0 0 430.254 3.694 50 0 IHAARN O=C(NCc1ccc2c(c1)OCCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000040017317 569482627 /nfs/dbraw/zinc/48/26/27/569482627.db2.gz URDXAYKYRBTUPN-UHFFFAOYSA-N 0 0 435.929 3.514 50 0 IHAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(COCC(F)(F)F)cc1 ZINC000040025105 569482832 /nfs/dbraw/zinc/48/28/32/569482832.db2.gz NMLNFIXNKHMTII-UHFFFAOYSA-N 0 0 438.490 3.714 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2C)n1 ZINC000008899743 569484102 /nfs/dbraw/zinc/48/41/02/569484102.db2.gz QCFUAKIXYVCVPP-UHFFFAOYSA-N 0 0 438.586 3.833 50 0 IHAARN CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000040058800 569484663 /nfs/dbraw/zinc/48/46/63/569484663.db2.gz VKIRPIGATCIZFM-LAUBAEHRSA-N 0 0 428.554 3.885 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2)s1 ZINC000008912405 569484989 /nfs/dbraw/zinc/48/49/89/569484989.db2.gz ZBJGXBFGVTZIIB-UHFFFAOYSA-N 0 0 436.580 3.690 50 0 IHAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 ZINC000040069090 569485285 /nfs/dbraw/zinc/48/52/85/569485285.db2.gz POAGRRRQUFESCJ-STQMWFEESA-N 0 0 427.302 3.556 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 ZINC000040069088 569485290 /nfs/dbraw/zinc/48/52/90/569485290.db2.gz POAGRRRQUFESCJ-QWHCGFSZSA-N 0 0 427.302 3.556 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCC(c2ccccc2)CC1 ZINC000040070314 569485670 /nfs/dbraw/zinc/48/56/70/569485670.db2.gz IIGRVUJUTGJUAD-UHFFFAOYSA-N 0 0 432.611 3.918 50 0 IHAARN Cc1cc2nc(Sc3nnc([C@@H]4COc5ccccc5O4)n3C)c3ccccc3n2n1 ZINC000040071552 569485782 /nfs/dbraw/zinc/48/57/82/569485782.db2.gz GJTXDHRRLSKURH-SFHVURJKSA-N 0 0 430.493 3.983 50 0 IHAARN CCN(Cc1ccc(Br)s1)C(=O)C[C@H](NC(N)=O)c1ccccc1F ZINC000040071996 569485869 /nfs/dbraw/zinc/48/58/69/569485869.db2.gz INLUXBJSCDASPM-AWEZNQCLSA-N 0 0 428.327 3.798 50 0 IHAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073775 569486191 /nfs/dbraw/zinc/48/61/91/569486191.db2.gz NPQNWZTWANAJJX-LLVKDONJSA-N 0 0 426.395 3.551 50 0 IHAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000008920509 569486554 /nfs/dbraw/zinc/48/65/54/569486554.db2.gz PIMDHKYNVCVQPX-SFHVURJKSA-N 0 0 433.489 3.938 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000008924151 569487141 /nfs/dbraw/zinc/48/71/41/569487141.db2.gz AXOLNQIEXHXASE-UHFFFAOYSA-N 0 0 440.503 3.745 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O ZINC000008926991 569487314 /nfs/dbraw/zinc/48/73/14/569487314.db2.gz VSIGVPKHTSMILA-CYBMUJFWSA-N 0 0 429.498 3.540 50 0 IHAARN Cc1ccc(C)c(N(C)C(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000008931757 569487538 /nfs/dbraw/zinc/48/75/38/569487538.db2.gz NGAOWXMJFGTODZ-UHFFFAOYSA-N 0 0 432.524 3.731 50 0 IHAARN Cc1c(NC(=O)N(C)Cc2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000040094961 569487554 /nfs/dbraw/zinc/48/75/54/569487554.db2.gz BYYQIJUYIJGGPU-UHFFFAOYSA-N 0 0 429.318 3.911 50 0 IHAARN C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000008936493 569488040 /nfs/dbraw/zinc/48/80/40/569488040.db2.gz IXKZPWRJRYLCIO-HXUWFJFHSA-N 0 0 446.595 3.836 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)NC4CCCCC4)c(=O)c23)s1 ZINC000008938475 569488245 /nfs/dbraw/zinc/48/82/45/569488245.db2.gz HXHRDYBMKFNJMK-UHFFFAOYSA-N 0 0 430.555 3.653 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2C1 ZINC000040107840 569488494 /nfs/dbraw/zinc/48/84/94/569488494.db2.gz GBNHMKCFOIQMPK-HKUYNNGSSA-N 0 0 432.442 3.736 50 0 IHAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000040110527 569488763 /nfs/dbraw/zinc/48/87/63/569488763.db2.gz UDBJSCMABUHOIO-SFHVURJKSA-N 0 0 431.583 3.711 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccsc3)CC2)c1 ZINC000040110517 569488769 /nfs/dbraw/zinc/48/87/69/569488769.db2.gz XXLBMYXAYPMRJA-OAQYLSRUSA-N 0 0 428.554 3.981 50 0 IHAARN Cc1cccc2c(=O)n(CC(=O)NCC(C)(C)c3ccc(Br)cc3)cnc12 ZINC000040113437 569488976 /nfs/dbraw/zinc/48/89/76/569488976.db2.gz KQCHEDXGQQDKJQ-UHFFFAOYSA-N 0 0 428.330 3.561 50 0 IHAARN CSCC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000008944704 569488998 /nfs/dbraw/zinc/48/89/98/569488998.db2.gz VMKGZERQGSXEMK-BBWFWOEESA-N 0 0 442.503 3.619 50 0 IHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000008945797 569489038 /nfs/dbraw/zinc/48/90/38/569489038.db2.gz KZRSMTLRVLRLJN-UHFFFAOYSA-N 0 0 429.236 3.856 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000008945714 569489057 /nfs/dbraw/zinc/48/90/57/569489057.db2.gz FIHSRXHCWKMJLM-AWEZNQCLSA-N 0 0 441.956 3.625 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000008945710 569489064 /nfs/dbraw/zinc/48/90/64/569489064.db2.gz FIHSRXHCWKMJLM-CQSZACIVSA-N 0 0 441.956 3.625 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccc(OC)cc4)c3c2=O)cc1 ZINC000008950213 569489172 /nfs/dbraw/zinc/48/91/72/569489172.db2.gz NWYXPUOZOAUAHD-UHFFFAOYSA-N 0 0 449.488 3.559 50 0 IHAARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000040116859 569489284 /nfs/dbraw/zinc/48/92/84/569489284.db2.gz JHMSEQXHMBQRDA-SFHVURJKSA-N 0 0 425.794 3.765 50 0 IHAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@@H](C)O1 ZINC000040121016 569489489 /nfs/dbraw/zinc/48/94/89/569489489.db2.gz NKAQERFPLJBUKR-HUUCEWRRSA-N 0 0 427.372 3.800 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000040121902 569489554 /nfs/dbraw/zinc/48/95/54/569489554.db2.gz HBRXAFHXKKKUBH-HSZRJFAPSA-N 0 0 442.581 3.801 50 0 IHAARN COc1cc(CNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)ccc1OC1CCCC1 ZINC000040121348 569489591 /nfs/dbraw/zinc/48/95/91/569489591.db2.gz YCJCGWKTXOTVNJ-KRWDZBQOSA-N 0 0 438.524 3.837 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@H](C)c3ccccc3)C(C)(C)S[C@@H]21 ZINC000008952637 569490009 /nfs/dbraw/zinc/49/00/09/569490009.db2.gz XIGLTUDNIPUDGN-PXROXKMBSA-N 0 0 426.538 3.930 50 0 biogenic IHAARN CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000040130769 569490270 /nfs/dbraw/zinc/49/02/70/569490270.db2.gz PEDGZSUESPSLOD-HNNXBMFYSA-N 0 0 428.330 3.986 50 0 IHAARN COC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1 ZINC000040133117 569490390 /nfs/dbraw/zinc/49/03/90/569490390.db2.gz QPHPISVDVYVVPG-UHFFFAOYSA-N 0 0 429.523 3.855 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3ccccc3Cl)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965379 569491454 /nfs/dbraw/zinc/49/14/54/569491454.db2.gz WUPHHSDAGQAVKU-UHFFFAOYSA-N 0 0 434.927 3.833 50 0 IHAARN Cc1cc(Br)oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000040140169 569491521 /nfs/dbraw/zinc/49/15/21/569491521.db2.gz UGWMOCMFSCDBIJ-UHFFFAOYSA-N 0 0 427.320 3.777 50 0 IHAARN CN(C)C(=O)COc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000040140437 569491605 /nfs/dbraw/zinc/49/16/05/569491605.db2.gz SGNDEGIEBYASNN-UHFFFAOYSA-N 0 0 428.539 3.550 50 0 IHAARN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000040142812 569491913 /nfs/dbraw/zinc/49/19/13/569491913.db2.gz RZLJQLOKGWBYKN-UHFFFAOYSA-N 0 0 428.286 3.910 50 0 IHAARN CC(C)c1cc(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)[nH]n1 ZINC000040145282 569492112 /nfs/dbraw/zinc/49/21/12/569492112.db2.gz XKSVXKROZJLUCR-UHFFFAOYSA-N 0 0 448.449 3.560 50 0 IHAARN CCC(=O)N1CCC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000040146605 569492251 /nfs/dbraw/zinc/49/22/51/569492251.db2.gz GRRHDUWAMLEOCR-JOCHJYFZSA-N 0 0 430.552 3.863 50 0 IHAARN CSc1nnc(CCCNS(=O)(=O)c2ccc(C)c(Cl)c2)n1C1CCCC1 ZINC000040149691 569492692 /nfs/dbraw/zinc/49/26/92/569492692.db2.gz GSIPJIUDWJUGQI-UHFFFAOYSA-N 0 0 429.011 3.988 50 0 IHAARN O=C(CN(CCCc1ccccc1)C(=O)CN1CCCCC1)NCCCc1ccccc1 ZINC000040158828 569494599 /nfs/dbraw/zinc/49/45/99/569494599.db2.gz ZHTCFDAPJLDKSB-UHFFFAOYSA-N 0 0 435.612 3.683 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC000008988190 569494880 /nfs/dbraw/zinc/49/48/80/569494880.db2.gz UBAVIMYNZVRULR-KRWDZBQOSA-N 0 0 445.368 3.621 50 0 IHAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000008988550 569494942 /nfs/dbraw/zinc/49/49/42/569494942.db2.gz IMIYLWFDOOIMJJ-UHFFFAOYSA-N 0 0 439.932 3.662 50 0 IHAARN CCn1c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2[nH]c(=O)c1=O ZINC000040162153 569495200 /nfs/dbraw/zinc/49/52/00/569495200.db2.gz XCDQBPXMXIQYSN-UHFFFAOYSA-N 0 0 425.448 3.505 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000009015860 569496788 /nfs/dbraw/zinc/49/67/88/569496788.db2.gz CTLOGBVHJCVBFC-XVOBZGQLSA-N 0 0 449.510 3.952 50 0 IHAARN COc1ccc(CCC(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)c(OC)c1OC ZINC000244998624 569496882 /nfs/dbraw/zinc/49/68/82/569496882.db2.gz KMTJKNFCSARRNU-IBGZPJMESA-N 0 0 436.508 3.873 50 0 IHAARN COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(OC)c(OC)c3)ccc1=O)c(C)n2C ZINC000040267645 569497428 /nfs/dbraw/zinc/49/74/28/569497428.db2.gz LFMFVUZGUPUGNR-UHFFFAOYSA-N 0 0 447.491 3.619 50 0 IHAARN CCc1c(C)sc2nc3n(CC(=O)Nc4cccc(Cl)c4)nc(SC)n3c(=O)c12 ZINC000040287834 569498337 /nfs/dbraw/zinc/49/83/37/569498337.db2.gz FLUWJBBNWKDGMI-UHFFFAOYSA-N 0 0 447.973 3.991 50 0 IHAARN O=C(Cn1ccc2c1cccc2Br)Nc1ccc(CN2CCOCC2)cc1 ZINC000040288611 569498475 /nfs/dbraw/zinc/49/84/75/569498475.db2.gz LQQWELKCGVBIPR-UHFFFAOYSA-N 0 0 428.330 3.875 50 0 IHAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)nc(SCC(N)=O)nc1C ZINC000009050023 569498596 /nfs/dbraw/zinc/49/85/96/569498596.db2.gz LURQXCISCXDVDQ-UHFFFAOYSA-N 0 0 430.574 3.548 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000009057089 569499122 /nfs/dbraw/zinc/49/91/22/569499122.db2.gz LRKMSIBNOHFJRO-LJQANCHMSA-N 0 0 432.314 3.938 50 0 IHAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1cc(Cl)ccc1Cl ZINC000009077604 569500352 /nfs/dbraw/zinc/50/03/52/569500352.db2.gz IPORTKUZHMAXRE-UZYVYHOESA-N 0 0 425.293 3.932 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009086446 569500692 /nfs/dbraw/zinc/50/06/92/569500692.db2.gz QBYIILQEKATLQR-UAFMIMERSA-N 0 0 427.287 3.972 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000009094979 569501306 /nfs/dbraw/zinc/50/13/06/569501306.db2.gz HOAKOQZTEIAJBE-UHFFFAOYSA-N 0 0 440.587 3.650 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccc2c(c1)OCCO2 ZINC000009096217 569501462 /nfs/dbraw/zinc/50/14/62/569501462.db2.gz DMNXFLGBSWKGJU-OAHLLOKOSA-N 0 0 436.537 3.806 50 0 IHAARN O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1Cl ZINC000069367134 569502507 /nfs/dbraw/zinc/50/25/07/569502507.db2.gz QZNXYQKRXZUCGH-UHFFFAOYSA-N 0 0 440.750 3.826 50 0 IHAARN O=C(NCc1ccccn1)[C@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117556 569503170 /nfs/dbraw/zinc/50/31/70/569503170.db2.gz NZAVZQHADWVDIX-INIZCTEOSA-N 0 0 436.516 3.525 50 0 IHAARN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000069372453 569503234 /nfs/dbraw/zinc/50/32/34/569503234.db2.gz OLMQMOIYTQOTPY-GOSISDBHSA-N 0 0 430.277 3.773 50 0 IHAARN Cc1cc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)no1 ZINC000009118523 569503412 /nfs/dbraw/zinc/50/34/12/569503412.db2.gz OXDWEMNLSZRQLJ-UHFFFAOYSA-N 0 0 426.542 3.927 50 0 IHAARN CN(Cc1ccccc1)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N ZINC000009119505 569503542 /nfs/dbraw/zinc/50/35/42/569503542.db2.gz ZXJRHDJCVYFOOJ-UHFFFAOYSA-N 0 0 436.562 3.590 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccs1 ZINC000009119743 569503666 /nfs/dbraw/zinc/50/36/66/569503666.db2.gz NCDQDIHSEAHZSF-UHFFFAOYSA-N 0 0 434.518 3.748 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1cccs1 ZINC000009120575 569503931 /nfs/dbraw/zinc/50/39/31/569503931.db2.gz GJRZHPUWJWKYIK-UHFFFAOYSA-N 0 0 449.532 3.810 50 0 IHAARN COc1cccc(-c2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n2-c2ccc(C)cc2)c1 ZINC000009126221 569504856 /nfs/dbraw/zinc/50/48/56/569504856.db2.gz DYAPBGQRFOMFMJ-GOSISDBHSA-N 0 0 439.541 3.563 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1 ZINC000009127762 569505261 /nfs/dbraw/zinc/50/52/61/569505261.db2.gz AVVDFKQIPQRJAN-UHFFFAOYSA-N 0 0 432.542 3.510 50 0 IHAARN CCCn1c(=O)c2cc(CC)sc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009128024 569505336 /nfs/dbraw/zinc/50/53/36/569505336.db2.gz QEOXOADBUYUPPS-UHFFFAOYSA-N 0 0 445.566 3.932 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000009129357 569505713 /nfs/dbraw/zinc/50/57/13/569505713.db2.gz PJAVAWHHDRCFCD-UHFFFAOYSA-N 0 0 429.488 3.557 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000009130528 569506038 /nfs/dbraw/zinc/50/60/38/569506038.db2.gz BCCJUVNDJNPVBT-UHFFFAOYSA-N 0 0 428.448 3.928 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c(Cl)c1 ZINC000009152063 569507660 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CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000069843081 569521296 /nfs/dbraw/zinc/52/12/96/569521296.db2.gz SOVIZBPPYCGRHU-QFIPXVFZSA-N 0 0 435.634 3.535 50 0 IHAARN O=C(COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1)c1ccccc1 ZINC000009310097 569521729 /nfs/dbraw/zinc/52/17/29/569521729.db2.gz ARVDZHSRAAGBMH-UHFFFAOYSA-N 0 0 426.428 3.820 50 0 IHAARN COCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2ccccc2OC)=C1C ZINC000009316166 569522200 /nfs/dbraw/zinc/52/22/00/569522200.db2.gz QEBIFCHAVUTBLU-HXUWFJFHSA-N 0 0 429.517 3.625 50 0 IHAARN O=C(Cc1ccc2c(c1)OCCO2)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000009317022 569522278 /nfs/dbraw/zinc/52/22/78/569522278.db2.gz FIZFBIOWLMHWHS-UHFFFAOYSA-N 0 0 431.238 3.613 50 0 IHAARN Cc1ccc(N(Cc2cn3ccccc3n2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009319311 569522487 /nfs/dbraw/zinc/52/24/87/569522487.db2.gz ZJNTTXSZRFJEBO-UHFFFAOYSA-N 0 0 435.505 3.809 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009322008 569522660 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CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C ZINC000009378573 569527647 /nfs/dbraw/zinc/52/76/47/569527647.db2.gz OOGFJWVBUMWZSB-FQEVSTJZSA-N 0 0 429.542 3.791 50 0 IHAARN COCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1c[nH]c2ccccc21 ZINC000009382317 569528261 /nfs/dbraw/zinc/52/82/61/569528261.db2.gz ZQDDCFAGXPJQEO-UHFFFAOYSA-N 0 0 425.489 3.943 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC(C)C)cc3)s2)no1 ZINC000009391102 569528903 /nfs/dbraw/zinc/52/89/03/569528903.db2.gz DUVNBGFQOKVXAF-UHFFFAOYSA-N 0 0 433.515 3.605 50 0 IHAARN CCOc1ccccc1CNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000009405529 569529935 /nfs/dbraw/zinc/52/99/35/569529935.db2.gz PBPYKMVUMDSEBC-UHFFFAOYSA-N 0 0 436.512 3.677 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Br)cc1 ZINC000009409018 569530774 /nfs/dbraw/zinc/53/07/74/569530774.db2.gz YTCZOZWSWNNKEN-IBGZPJMESA-N 0 0 428.286 3.736 50 0 IHAARN Cc1ccc(-c2c3c(cn2-c2cc(Cl)c(N)c(Cl)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009409442 569531033 /nfs/dbraw/zinc/53/10/33/569531033.db2.gz ABJZLJSNKYCDEI-UHFFFAOYSA-N 0 0 429.307 3.892 50 0 IHAARN Cc1ccc(Cn2c3ccsc3c(=O)n(CCC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000009410223 569531249 /nfs/dbraw/zinc/53/12/49/569531249.db2.gz ZOZGAJOMXJFZFB-UHFFFAOYSA-N 0 0 437.496 3.749 50 0 IHAARN CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009411059 569531476 /nfs/dbraw/zinc/53/14/76/569531476.db2.gz PDIMQPXDLBNESV-NHCUHLMSSA-N 0 0 428.579 3.597 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S@](=O)C3)cc1 ZINC000009413538 569531781 /nfs/dbraw/zinc/53/17/81/569531781.db2.gz BURJBZHPOFEBDT-AREMUKBSSA-N 0 0 430.327 3.958 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)NCc1ccc(F)cc1 ZINC000009414906 569532075 /nfs/dbraw/zinc/53/20/75/569532075.db2.gz OETIQPFRWQNGNH-UHFFFAOYSA-N 0 0 427.892 3.992 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O)Nc1ccc(F)cc1 ZINC000009416643 569532386 /nfs/dbraw/zinc/53/23/86/569532386.db2.gz QVVGNMQNCAKMPK-OAQYLSRUSA-N 0 0 438.480 3.716 50 0 IHAARN Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009418851 569532497 /nfs/dbraw/zinc/53/24/97/569532497.db2.gz ARCUJLSPLKIMLZ-UHFFFAOYSA-N 0 0 441.329 3.753 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009429735 569533755 /nfs/dbraw/zinc/53/37/55/569533755.db2.gz ZZDWAVZMRFWYCW-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)cc2NC1=O ZINC000009430004 569533817 /nfs/dbraw/zinc/53/38/17/569533817.db2.gz GKJPIJDCALJRKC-GOSISDBHSA-N 0 0 438.615 3.902 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3c(C)cccc3C)cc2NC1=O ZINC000009430017 569533839 /nfs/dbraw/zinc/53/38/39/569533839.db2.gz UIGPVQJLDZVTIV-QGZVFWFLSA-N 0 0 432.567 3.929 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)cc2NC1=O ZINC000009430006 569533848 /nfs/dbraw/zinc/53/38/48/569533848.db2.gz GKJPIJDCALJRKC-SFHVURJKSA-N 0 0 438.615 3.902 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C(C)=O)cc3)cc2NC1=O ZINC000009429951 569533853 /nfs/dbraw/zinc/53/38/53/569533853.db2.gz PFGCPZIZPFFRFT-GOSISDBHSA-N 0 0 446.550 3.515 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)cc(C)c3)cc2NC1=O ZINC000009430127 569533887 /nfs/dbraw/zinc/53/38/87/569533887.db2.gz XUQCTTANORIYRD-SFHVURJKSA-N 0 0 432.567 3.929 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3OC)cc2NC1=O ZINC000009430239 569533919 /nfs/dbraw/zinc/53/39/19/569533919.db2.gz SQUKWUHPXCJJPN-SFHVURJKSA-N 0 0 448.566 3.629 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000009431683 569534262 /nfs/dbraw/zinc/53/42/62/569534262.db2.gz KCWMSLLWJDOMGO-LJQANCHMSA-N 0 0 436.512 3.677 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC ZINC000009431974 569534292 /nfs/dbraw/zinc/53/42/92/569534292.db2.gz PZMNRSZLSCNTNP-SANMLTNESA-N 0 0 446.503 3.512 50 0 IHAARN CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 ZINC000009439096 569535042 /nfs/dbraw/zinc/53/50/42/569535042.db2.gz VILTXDUHLJGLRD-UHFFFAOYSA-N 0 0 433.489 3.590 50 0 IHAARN O=C(CSc1nc2ccccc2nc1SCC(=O)NC1CCCC1)NC1CCCC1 ZINC000009442292 569535508 /nfs/dbraw/zinc/53/55/08/569535508.db2.gz SGHUYWJFQFJZMW-UHFFFAOYSA-N 0 0 444.626 3.932 50 0 IHAARN CCc1nnc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2cc3occc3n21 ZINC000009442973 569535634 /nfs/dbraw/zinc/53/56/34/569535634.db2.gz QXBBKLNHAUIZFW-UHFFFAOYSA-N 0 0 440.525 3.506 50 0 IHAARN COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC ZINC000009446619 569535914 /nfs/dbraw/zinc/53/59/14/569535914.db2.gz OEFGLULVQRDXCF-IBGZPJMESA-N 0 0 436.395 3.996 50 0 IHAARN O=C(CSc1nnnn1C1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009448312 569536079 /nfs/dbraw/zinc/53/60/79/569536079.db2.gz DCHVHVZVPTZQKM-UHFFFAOYSA-N 0 0 428.587 3.896 50 0 IHAARN CC1(C)Cc2c3c(N)c(C(=O)NCc4ccco4)sc3nc(N3CCCC3)c2CO1 ZINC000009449678 569536223 /nfs/dbraw/zinc/53/62/23/569536223.db2.gz AOZNLSZMVWBINP-UHFFFAOYSA-N 0 0 426.542 3.853 50 0 IHAARN Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC000009451942 569536476 /nfs/dbraw/zinc/53/64/76/569536476.db2.gz OAYVAFYMNGUJPL-UTKZUKDTSA-N 0 0 437.540 3.800 50 0 IHAARN Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000009466477 569538212 /nfs/dbraw/zinc/53/82/12/569538212.db2.gz HDHUJZDJVUFKEG-UHFFFAOYSA-N 0 0 432.885 3.846 50 0 IHAARN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Br)c(C(F)(F)F)c3)ccc2N1 ZINC000009467420 569538392 /nfs/dbraw/zinc/53/83/92/569538392.db2.gz FFDGXYDBYYBPFC-UHFFFAOYSA-N 0 0 435.221 3.763 50 0 IHAARN CN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009468206 569538622 /nfs/dbraw/zinc/53/86/22/569538622.db2.gz RFLGEVYOWACEJE-UHFFFAOYSA-N 0 0 444.534 3.592 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)cc1 ZINC000009476639 569539110 /nfs/dbraw/zinc/53/91/10/569539110.db2.gz ZQHVMSYOUPATAI-XDHOZWIPSA-N 0 0 434.477 3.704 50 0 IHAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 ZINC000009477392 569539233 /nfs/dbraw/zinc/53/92/33/569539233.db2.gz QDLDXHWBQJKYGZ-UHFFFAOYSA-N 0 0 441.294 3.600 50 0 IHAARN Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1C ZINC000009478159 569539302 /nfs/dbraw/zinc/53/93/02/569539302.db2.gz GQZOPQYHEYSMJA-VWLOTQADSA-N 0 0 444.491 3.572 50 0 IHAARN COc1cccc(CNC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c1 ZINC000009483627 569539547 /nfs/dbraw/zinc/53/95/47/569539547.db2.gz HUTPMBICSJAYER-UHFFFAOYSA-N 0 0 431.444 3.869 50 0 biogenic IHAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009487625 569539807 /nfs/dbraw/zinc/53/98/07/569539807.db2.gz XCSQWSYFZTXOMA-HXUWFJFHSA-N 0 0 436.395 3.996 50 0 IHAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(OCC)ccc1OCC)c1ccc(C)cc1 ZINC000009489391 569539966 /nfs/dbraw/zinc/53/99/66/569539966.db2.gz RNIAVFSNBKXXBK-LJQANCHMSA-N 0 0 435.542 3.765 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)c1C ZINC000009493301 569540723 /nfs/dbraw/zinc/54/07/23/569540723.db2.gz ULLMOSYRCCHERW-XMMPIXPASA-N 0 0 443.547 3.812 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009496038 569541169 /nfs/dbraw/zinc/54/11/69/569541169.db2.gz RDVVSNQYKNHVGA-OWJWWREXSA-N 0 0 439.943 3.863 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000009496302 569541190 /nfs/dbraw/zinc/54/11/90/569541190.db2.gz NFOIOTAWRYMHEY-UHFFFAOYSA-N 0 0 431.521 3.669 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009501396 569541614 /nfs/dbraw/zinc/54/16/14/569541614.db2.gz YMZCUYNBTMGJGM-UHFFFAOYSA-N 0 0 436.943 3.994 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(COc3ccccc3)cc2)C1=O ZINC000009502195 569541645 /nfs/dbraw/zinc/54/16/45/569541645.db2.gz DOXPWFSJNDHGKP-AREMUKBSSA-N 0 0 443.503 3.854 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)O[C@H](C)C2 ZINC000009502310 569541654 /nfs/dbraw/zinc/54/16/54/569541654.db2.gz HIYDUSQJGJKEHO-QGZVFWFLSA-N 0 0 425.529 3.772 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009502827 569541702 /nfs/dbraw/zinc/54/17/02/569541702.db2.gz OVNONBJEWCHLPN-FUHWJXTLSA-N 0 0 443.594 3.509 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)c(Cl)c1 ZINC000009507064 569541919 /nfs/dbraw/zinc/54/19/19/569541919.db2.gz FNBYNPCOFOICSH-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000009507260 569542039 /nfs/dbraw/zinc/54/20/39/569542039.db2.gz WVJPOGQMIBTJRX-UHFFFAOYSA-N 0 0 429.933 3.737 50 0 IHAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009512163 569542944 /nfs/dbraw/zinc/54/29/44/569542944.db2.gz KAAMDPIFKRLWED-MRXNPFEDSA-N 0 0 431.949 3.602 50 0 IHAARN COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000009512378 569542964 /nfs/dbraw/zinc/54/29/64/569542964.db2.gz WINTVFHATYORFY-RUZDIDTESA-N 0 0 433.508 3.554 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)C1CCCC1 ZINC000009513638 569543153 /nfs/dbraw/zinc/54/31/53/569543153.db2.gz CXRSIIATQJEWRP-UHFFFAOYSA-N 0 0 430.526 3.629 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000009513587 569543167 /nfs/dbraw/zinc/54/31/67/569543167.db2.gz DABNQOGENXPETA-XMMPIXPASA-N 0 0 438.487 3.783 50 0 IHAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc(OC)c1OC ZINC000009514350 569543203 /nfs/dbraw/zinc/54/32/03/569543203.db2.gz NZFAOUUXMRUGFA-UHFFFAOYSA-N 0 0 425.466 3.583 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc(Cl)cc1 ZINC000009518634 569544123 /nfs/dbraw/zinc/54/41/23/569544123.db2.gz NOKPNNKMMVBNBW-UHFFFAOYSA-N 0 0 438.843 3.662 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2[C@@H]2CCc3ccccc32)no1 ZINC000009530790 569545008 /nfs/dbraw/zinc/54/50/08/569545008.db2.gz BWJDYCGTQQFUID-GOSISDBHSA-N 0 0 432.509 3.903 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)cc1 ZINC000009535850 569545527 /nfs/dbraw/zinc/54/55/27/569545527.db2.gz LCYGOHBVBJBABY-UHFFFAOYSA-N 0 0 433.302 3.518 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2c(c1)CCCC2 ZINC000009535375 569545565 /nfs/dbraw/zinc/54/55/65/569545565.db2.gz SMFMPGMJNOYFRW-MRXNPFEDSA-N 0 0 449.580 3.916 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@H]4CCCC[C@H]4C)c(=O)c23)s1 ZINC000009536807 569545601 /nfs/dbraw/zinc/54/56/01/569545601.db2.gz LEHJJOZADQFPTE-DOMZBBRYSA-N 0 0 444.582 3.899 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000009540097 569545746 /nfs/dbraw/zinc/54/57/46/569545746.db2.gz URWIVURXZHHPPY-SFHVURJKSA-N 0 0 435.402 3.989 50 0 IHAARN O=C(CNC(c1ccccc1)c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009548740 569546476 /nfs/dbraw/zinc/54/64/76/569546476.db2.gz AZYYLCPCCHWGES-HSZRJFAPSA-N 0 0 440.609 3.714 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560434 569547053 /nfs/dbraw/zinc/54/70/53/569547053.db2.gz NQOWJGVTDHKKCG-ZEQRLZLVSA-N 0 0 434.536 3.943 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2F)c2cccs2)cc1 ZINC000009569331 569547587 /nfs/dbraw/zinc/54/75/87/569547587.db2.gz OCMUDDKUUNQYNG-FQEVSTJZSA-N 0 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569549093 /nfs/dbraw/zinc/54/90/93/569549093.db2.gz ZFLVXUFPZJWHFC-UHFFFAOYSA-N 0 0 431.496 3.997 50 0 IHAARN COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 ZINC000009584498 569549363 /nfs/dbraw/zinc/54/93/63/569549363.db2.gz DNPLPLRTRGXGRQ-UHFFFAOYSA-N 0 0 429.428 3.939 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)n2)cc1 ZINC000009588103 569549827 /nfs/dbraw/zinc/54/98/27/569549827.db2.gz SNTJZEBAGKQFAA-UHFFFAOYSA-N 0 0 431.539 3.807 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000009588532 569549909 /nfs/dbraw/zinc/54/99/09/569549909.db2.gz HZKJAYLWOYRWEL-UHFFFAOYSA-N 0 0 448.526 3.555 50 0 IHAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 ZINC000009593960 569550519 /nfs/dbraw/zinc/55/05/19/569550519.db2.gz UYBUAWCLIDBNKF-VQTJNVASSA-N 0 0 431.521 3.922 50 0 IHAARN COCCn1cc(C(=O)NCCc2ccc(Cl)cc2)c2c3ccccc3n(C)c2c1=O ZINC000009598484 569550992 /nfs/dbraw/zinc/55/09/92/569550992.db2.gz VURISURCQXADDP-UHFFFAOYSA-N 0 0 437.927 3.766 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C)c1)c(=O)n2CC(=O)Nc1ccc(F)cc1 ZINC000009599109 569551141 /nfs/dbraw/zinc/55/11/41/569551141.db2.gz TZSBUTXPORHWEC-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 ZINC000009599988 569551398 /nfs/dbraw/zinc/55/13/98/569551398.db2.gz BXORKDVETISWQY-UHFFFAOYSA-N 0 0 428.539 3.598 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](c2ccccn2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000009601976 569551642 /nfs/dbraw/zinc/55/16/42/569551642.db2.gz ZAOIXYRVHLSEPD-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(F)cc2)C1=O ZINC000009601681 569551668 /nfs/dbraw/zinc/55/16/68/569551668.db2.gz DZSKMYWUEWDCRC-KGENOOAVSA-N 0 0 432.455 3.710 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc3cccs3)cc2s1 ZINC000009610904 569552665 /nfs/dbraw/zinc/55/26/65/569552665.db2.gz MTWAQNSCAONQQI-QGZVFWFLSA-N 0 0 437.612 3.676 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)cc2s1 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COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)cc1 ZINC000009646635 569556331 /nfs/dbraw/zinc/55/63/31/569556331.db2.gz FGAIWNCXSZPHOS-VWLOTQADSA-N 0 0 429.476 3.915 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)ccc21 ZINC000009646519 569556333 /nfs/dbraw/zinc/55/63/33/569556333.db2.gz NTUSPTMFYCZUMR-UHFFFAOYSA-N 0 0 449.528 3.892 50 0 IHAARN CCCCc1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(Cc2ccccc2)c3=O)cc1 ZINC000009659694 569556670 /nfs/dbraw/zinc/55/66/70/569556670.db2.gz OPTRCCFYLGKMHK-UHFFFAOYSA-N 0 0 430.508 3.672 50 0 IHAARN Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009659660 569556699 /nfs/dbraw/zinc/55/66/99/569556699.db2.gz ABIDOVLFOSYDPR-UHFFFAOYSA-N 0 0 447.253 3.716 50 0 IHAARN O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCc1ccccc1 ZINC000009660737 569556917 /nfs/dbraw/zinc/55/69/17/569556917.db2.gz OMJASWINPIQBMC-UHFFFAOYSA-N 0 0 425.410 3.868 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009667865 569557840 /nfs/dbraw/zinc/55/78/40/569557840.db2.gz RLHHNDTXLKCIRZ-VIFPVBQESA-N 0 0 435.702 3.547 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009667866 569557849 /nfs/dbraw/zinc/55/78/49/569557849.db2.gz RLHHNDTXLKCIRZ-SECBINFHSA-N 0 0 435.702 3.547 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C ZINC000009668827 569558011 /nfs/dbraw/zinc/55/80/11/569558011.db2.gz YANPDTNFRZZQOJ-UHFFFAOYSA-N 0 0 438.549 3.842 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000009669624 569558092 /nfs/dbraw/zinc/55/80/92/569558092.db2.gz PXRLWNHYILHZQX-HNNXBMFYSA-N 0 0 448.566 3.829 50 0 IHAARN CC(=O)N(c1nc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)cs1)c1ccccc1 ZINC000009669737 569558101 /nfs/dbraw/zinc/55/81/01/569558101.db2.gz IMYSYFIYWRIZOD-LJQANCHMSA-N 0 0 437.477 3.661 50 0 IHAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000009670674 569558335 /nfs/dbraw/zinc/55/83/35/569558335.db2.gz AVIZYOKJBRKSQC-SFHVURJKSA-N 0 0 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CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009729035 569564224 /nfs/dbraw/zinc/56/42/24/569564224.db2.gz BOBPGQRGWIVVSG-UHFFFAOYSA-N 0 0 431.583 3.976 50 0 IHAARN Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)n(-c2ccc(C)cc2)n1 ZINC000009730296 569564401 /nfs/dbraw/zinc/56/44/01/569564401.db2.gz GNTYRJJKJNWJDV-UHFFFAOYSA-N 0 0 431.540 3.778 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)cc1OC ZINC000009731569 569564615 /nfs/dbraw/zinc/56/46/15/569564615.db2.gz AOEJDOLZQXEEOQ-UHFFFAOYSA-N 0 0 443.521 3.552 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)c(OC)c1 ZINC000009737846 569564870 /nfs/dbraw/zinc/56/48/70/569564870.db2.gz QJRBVTMPRFZKLZ-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000009738833 569564934 /nfs/dbraw/zinc/56/49/34/569564934.db2.gz NKEYQTIROWMOCR-UHFFFAOYSA-N 0 0 428.488 3.740 50 0 IHAARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2s1 ZINC000009739354 569565012 /nfs/dbraw/zinc/56/50/12/569565012.db2.gz SUZJODXYHMBPAT-AWEZNQCLSA-N 0 0 444.582 3.828 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009740748 569565170 /nfs/dbraw/zinc/56/51/70/569565170.db2.gz MUPSIJLTDNELBG-LJQANCHMSA-N 0 0 439.942 3.735 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009740992 569565181 /nfs/dbraw/zinc/56/51/81/569565181.db2.gz WSVNCMOLBMYFIP-SFHVURJKSA-N 0 0 443.905 3.566 50 0 IHAARN O=C(COc1cccc2c1CCNC2=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000009743393 569565498 /nfs/dbraw/zinc/56/54/98/569565498.db2.gz VLTBGRZMHIKUOV-FQEVSTJZSA-N 0 0 449.507 3.930 50 0 IHAARN CC(=O)c1ccccc1NC(=O)COC(=O)CCCOc1cccc(Br)c1 ZINC000009744973 569565614 /nfs/dbraw/zinc/56/56/14/569565614.db2.gz LJRKHVQXTWAKIV-UHFFFAOYSA-N 0 0 434.286 3.993 50 0 IHAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000009765030 569566747 /nfs/dbraw/zinc/56/67/47/569566747.db2.gz DUGZMJWTHUSXJH-UHFFFAOYSA-N 0 0 428.423 3.871 50 0 IHAARN COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H]3c3cccs3)CC2=O)cc1OC ZINC000009765899 569566833 /nfs/dbraw/zinc/56/68/33/569566833.db2.gz IRPOLNSIBHZEBO-MSOLQXFVSA-N 0 0 428.554 3.520 50 0 IHAARN CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1 ZINC000009766920 569566887 /nfs/dbraw/zinc/56/68/87/569566887.db2.gz XSGHWCDJZNZIIK-UHFFFAOYSA-N 0 0 440.993 3.858 50 0 IHAARN CCOc1sc2nc(C)n(CC(=O)Nc3ccc(Br)cc3)c(=O)c2c1C ZINC000009776777 569567084 /nfs/dbraw/zinc/56/70/84/569567084.db2.gz OOFPIWSVKBOOBJ-UHFFFAOYSA-N 0 0 436.331 3.875 50 0 IHAARN Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009780413 569567484 /nfs/dbraw/zinc/56/74/84/569567484.db2.gz LFYMCDNEAUIHJD-UHFFFAOYSA-N 0 0 437.477 3.643 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009788822 569567982 /nfs/dbraw/zinc/56/79/82/569567982.db2.gz ZUXBXYBXGZZDDJ-OAHLLOKOSA-N 0 0 436.566 3.770 50 0 IHAARN CCCCn1c(CSc2n[nH]c(-c3cccs3)n2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009793691 569568341 /nfs/dbraw/zinc/56/83/41/569568341.db2.gz KTOBDIWJJKYUOV-UHFFFAOYSA-N 0 0 448.599 3.623 50 0 IHAARN COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CC1 ZINC000009799302 569568577 /nfs/dbraw/zinc/56/85/77/569568577.db2.gz POALTMYRPOMVJY-CYBMUJFWSA-N 0 0 445.566 3.579 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2ccc(F)c(C)c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000009808998 569569051 /nfs/dbraw/zinc/56/90/51/569569051.db2.gz XAGPSEKHUWFOPH-UHFFFAOYSA-N 0 0 448.520 3.874 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000009814437 569569137 /nfs/dbraw/zinc/56/91/37/569569137.db2.gz CSQCQRMWYIBXNC-HXUWFJFHSA-N 0 0 442.537 3.880 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009815394 569569193 /nfs/dbraw/zinc/56/91/93/569569193.db2.gz PEIJEOSKXCQLAC-UHFFFAOYSA-N 0 0 430.979 3.689 50 0 IHAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1C(=O)NC1CC1 ZINC000009816427 569569281 /nfs/dbraw/zinc/56/92/81/569569281.db2.gz WUEHHSCRIWDWEL-UHFFFAOYSA-N 0 0 439.566 3.773 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C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N ZINC000010216001 569579197 /nfs/dbraw/zinc/57/91/97/569579197.db2.gz SOYWZDUTKSGYKD-HUUCEWRRSA-N 0 0 429.977 3.930 50 0 IHAARN CN(C)C(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000010227163 569579276 /nfs/dbraw/zinc/57/92/76/569579276.db2.gz KMXBLHZJXDAAMR-UHFFFAOYSA-N 0 0 447.926 3.618 50 0 IHAARN COc1cc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1 ZINC000010272564 569580192 /nfs/dbraw/zinc/58/01/92/569580192.db2.gz MLMPZXABFVMNQU-UHFFFAOYSA-N 0 0 425.510 3.597 50 0 IHAARN COc1ccc(CCNc2nccn(-c3ccc(Br)cc3)c2=O)cc1OC ZINC000010273189 569580241 /nfs/dbraw/zinc/58/02/41/569580241.db2.gz YBFJMAQBTHYWSR-UHFFFAOYSA-N 0 0 430.302 3.667 50 0 IHAARN CCOc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c1 ZINC000071768269 569580618 /nfs/dbraw/zinc/58/06/18/569580618.db2.gz HLBYEQLULDZWNG-UHFFFAOYSA-N 0 0 430.468 3.523 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1 ZINC000071768468 569580740 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569588001 /nfs/dbraw/zinc/58/80/01/569588001.db2.gz GOZHOONICPJEJX-WOJGMQOQSA-N 0 0 427.478 3.953 50 0 IHAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000040364346 569588139 /nfs/dbraw/zinc/58/81/39/569588139.db2.gz HKTNSKNMEVYJFF-ZDUSSCGKSA-N 0 0 447.314 3.804 50 0 IHAARN CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC4)c1=O ZINC000000642975 193868405 /nfs/dbraw/zinc/86/84/05/193868405.db2.gz HBGDJOFPUDYMLA-UHFFFAOYSA-N 0 0 440.912 3.773 50 0 aggregator IHAARN COc1ccc(-c2csc3ncn(CC(=O)NCCc4ccccc4)c(=O)c23)cc1OC ZINC000000646365 193870181 /nfs/dbraw/zinc/87/01/81/193870181.db2.gz LBCMROFLQVLODO-UHFFFAOYSA-N 0 0 449.532 3.501 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000000647156 193870596 /nfs/dbraw/zinc/87/05/96/193870596.db2.gz XUVGWVCFQXCKRE-QZTJIDSGSA-N 0 0 432.450 3.824 50 0 IHAARN CCC12CN(C(=O)Cc3ccccc3)CC(CC)(CN(C(=O)Cc3ccccc3)C1)C2=O ZINC000000658155 193875646 /nfs/dbraw/zinc/87/56/46/193875646.db2.gz 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CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000008598692 132285691 /nfs/dbraw/zinc/28/56/91/132285691.db2.gz AIIDDUSHZYSFHG-UHFFFAOYSA-N 0 0 425.529 3.601 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)CC)cc1 ZINC000008680381 132290158 /nfs/dbraw/zinc/29/01/58/132290158.db2.gz POHUHCKWRHCOEK-UHFFFAOYSA-N 0 0 444.553 3.577 50 0 IHAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000008709141 132291248 /nfs/dbraw/zinc/29/12/48/132291248.db2.gz RIBHAMZHZVQKSO-RUZDIDTESA-N 0 0 445.563 3.582 50 0 IHAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008718361 132291550 /nfs/dbraw/zinc/29/15/50/132291550.db2.gz HDXYGUITIDVAGU-ZDUSSCGKSA-N 0 0 437.418 3.710 50 0 IHAARN COCCNC(=O)[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008759069 132293511 /nfs/dbraw/zinc/29/35/11/132293511.db2.gz FFQKEOHPYOEGBC-KRWDZBQOSA-N 0 0 439.943 3.828 50 0 IHAARN O=C(CCNC(=O)Nc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008825897 132295282 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50 0 IHAARN C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c2cc(Cl)ccc2O1 ZINC000009251929 132311062 /nfs/dbraw/zinc/31/10/62/132311062.db2.gz UDSATRIIJQKRSN-KRWDZBQOSA-N 0 0 427.932 3.583 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000009405733 132314971 /nfs/dbraw/zinc/31/49/71/132314971.db2.gz UNKPQCBDZXBVAT-UHFFFAOYSA-N 0 0 436.581 3.682 50 0 IHAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000009548554 132321226 /nfs/dbraw/zinc/32/12/26/132321226.db2.gz MANLGLXBQGIGNS-OAQYLSRUSA-N 0 0 436.600 3.973 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Nc4cc(C)nc5ncnn54)cc3)CC2)c1 ZINC000009561273 132321504 /nfs/dbraw/zinc/32/15/04/132321504.db2.gz SCNMAWJSBSXMIO-UHFFFAOYSA-N 0 0 441.539 3.756 50 0 IHAARN Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000009562798 132321709 /nfs/dbraw/zinc/32/17/09/132321709.db2.gz WZXHIHYKEVRVRE-UHFFFAOYSA-N 0 0 426.494 3.790 50 0 IHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000009573241 132322004 /nfs/dbraw/zinc/32/20/04/132322004.db2.gz XMUUCKYZDGIASD-FQEVSTJZSA-N 0 0 431.540 3.953 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000009573747 132322150 /nfs/dbraw/zinc/32/21/50/132322150.db2.gz WKBZAJBYHHJRHY-UHFFFAOYSA-N 0 0 430.917 3.533 50 0 IHAARN Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1Cc1ccccc1 ZINC000009580095 132322206 /nfs/dbraw/zinc/32/22/06/132322206.db2.gz YACHPFIAKRQXAJ-OAHLLOKOSA-N 0 0 435.553 3.879 50 0 IHAARN O=C(c1cccc(Oc2ccccc2)c1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009579870 132322216 /nfs/dbraw/zinc/32/22/16/132322216.db2.gz BIAKCQFHIXZZDD-XMMPIXPASA-N 0 0 444.487 3.746 50 0 IHAARN Cc1cc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2c2ccccc12 ZINC000009670865 132325017 /nfs/dbraw/zinc/32/50/17/132325017.db2.gz MLTKUGQISPGUHU-UHFFFAOYSA-N 0 0 433.537 3.758 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000009672746 132325179 /nfs/dbraw/zinc/32/51/79/132325179.db2.gz UWTYRRAONLVNDG-UHFFFAOYSA-N 0 0 425.583 3.782 50 0 IHAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000009862676 132330347 /nfs/dbraw/zinc/33/03/47/132330347.db2.gz HAFDETWYRNUPMW-UHFFFAOYSA-N 0 0 446.503 3.780 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1N1CCOCC1 ZINC000009933566 132331931 /nfs/dbraw/zinc/33/19/31/132331931.db2.gz OABAQHDENLXOPX-UHFFFAOYSA-N 0 0 439.295 3.878 50 0 IHAARN C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000009990415 132333645 /nfs/dbraw/zinc/33/36/45/132333645.db2.gz ZQTSNEYNHCPXPY-QUGAMOGWSA-N 0 0 427.504 3.975 50 0 IHAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)c1C ZINC000010104910 132334710 /nfs/dbraw/zinc/33/47/10/132334710.db2.gz URCODIVAXOJKTF-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cc(C)ccc2C)c4=O)c(C)c1 ZINC000010104951 132334747 /nfs/dbraw/zinc/33/47/47/132334747.db2.gz MXLHUSMAUWCUCU-UHFFFAOYSA-N 0 0 443.551 3.720 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCC(C)CC3)c3ccccc3S2(=O)=O)cc1F ZINC000010273482 132335408 /nfs/dbraw/zinc/33/54/08/132335408.db2.gz UTTWVLZAILGLPM-UHFFFAOYSA-N 0 0 445.516 3.528 50 0 IHAARN c1cncc(-c2nc3sc4c(c3c(N3CCN(c5cnccn5)CC3)n2)CCCC4)c1 ZINC000011010774 132336963 /nfs/dbraw/zinc/33/69/63/132336963.db2.gz UOTKOBBXGLHDBE-UHFFFAOYSA-N 0 0 429.553 3.749 50 0 IHAARN C[C@H](Sc1nncn1CCc1cccs1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000011107442 132337176 /nfs/dbraw/zinc/33/71/76/132337176.db2.gz DSLOHFXPOBPFHU-AWEZNQCLSA-N 0 0 441.582 3.827 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000011695331 132338693 /nfs/dbraw/zinc/33/86/93/132338693.db2.gz RLOHZWJFXIUWRK-UHFFFAOYSA-N 0 0 448.470 3.673 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(C)c(C)c4)nn3)CC2)c(OC)c1 ZINC000011695297 132338715 /nfs/dbraw/zinc/33/87/15/132338715.db2.gz WTFHNVJRZFXKOB-UHFFFAOYSA-N 0 0 432.524 3.740 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697650 132339133 /nfs/dbraw/zinc/33/91/33/132339133.db2.gz QTGPHLICHPOCPP-UHFFFAOYSA-N 0 0 428.418 3.596 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCc2ccccc21 ZINC000012939811 132340969 /nfs/dbraw/zinc/34/09/69/132340969.db2.gz DNYKIAYMWGAGNN-UHFFFAOYSA-N 0 0 449.370 3.827 50 0 IHAARN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000013765040 132354399 /nfs/dbraw/zinc/35/43/99/132354399.db2.gz GSPHIBBCGRUPRR-UHFFFAOYSA-N 0 0 440.338 3.903 50 0 IHAARN Cc1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1 ZINC000013939902 132355412 /nfs/dbraw/zinc/35/54/12/132355412.db2.gz GCQYTKSBDPBWAA-UHFFFAOYSA-N 0 0 437.344 3.632 50 0 IHAARN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014093489 132355964 /nfs/dbraw/zinc/35/59/64/132355964.db2.gz XAJNNGRZRDJOQX-JXFKEZNVSA-N 0 0 432.490 3.805 50 0 IHAARN Cc1nc2sc3c(c2c(N2CCN([C@@H](C(N)=O)c4ccccc4)CC2)n1)CCCCC3 ZINC000014198573 132356797 /nfs/dbraw/zinc/35/67/97/132356797.db2.gz SDNPUWVZVGVLOL-OAQYLSRUSA-N 0 0 435.597 3.617 50 0 IHAARN CC(=O)c1cccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)c1 ZINC000020414709 518444816 /nfs/dbraw/zinc/44/48/16/518444816.db2.gz CSZUTGCULHDYJT-UHFFFAOYSA-N 0 0 445.519 3.586 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000012565392 518461208 /nfs/dbraw/zinc/46/12/08/518461208.db2.gz ZIFQITYVOVDDPL-UHFFFAOYSA-N 0 0 434.561 3.985 50 0 IHAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1COc3ccccc3O1)O2 ZINC000012185304 518462742 /nfs/dbraw/zinc/46/27/42/518462742.db2.gz YXDWZJKBKRQCMR-CLOONOSVSA-N 0 0 429.472 3.816 50 0 IHAARN CC(=O)n1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(-c2ccc(F)cc2)n1 ZINC000012446773 518498854 /nfs/dbraw/zinc/49/88/54/518498854.db2.gz KLXUJSHYJJEBIU-JMIUGGIZSA-N 0 0 432.480 3.736 50 0 IHAARN CC(C)(C)CC(=O)NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035961862 518619796 /nfs/dbraw/zinc/61/97/96/518619796.db2.gz QTKDNATZGBSTEF-MRXNPFEDSA-N 0 0 427.526 3.707 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000012796025 518805295 /nfs/dbraw/zinc/80/52/95/518805295.db2.gz BXBKAKARIQWMFU-OAHLLOKOSA-N 0 0 446.573 3.719 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000012796029 518807956 /nfs/dbraw/zinc/80/79/56/518807956.db2.gz BXBKAKARIQWMFU-HNNXBMFYSA-N 0 0 446.573 3.719 50 0 IHAARN CC(C)(C)OC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012409761 518810549 /nfs/dbraw/zinc/81/05/49/518810549.db2.gz GSJHWSKIPKYSOE-MRXNPFEDSA-N 0 0 438.322 3.609 50 0 IHAARN CC(C)(C)OC(=O)Oc1cc(I)cnc1I ZINC000035270452 518844580 /nfs/dbraw/zinc/84/45/80/518844580.db2.gz WMVJULQDZSDXLS-UHFFFAOYSA-N 0 0 447.010 3.605 50 0 IHAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000012922074 519041414 /nfs/dbraw/zinc/04/14/14/519041414.db2.gz ZHVJKNLCKXISMY-HFZDXXHNSA-N 0 0 436.552 3.680 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000035526957 519440293 /nfs/dbraw/zinc/44/02/93/519440293.db2.gz RFLGOJSPGLLCDT-XMMPIXPASA-N 0 0 428.598 3.992 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3F)n2)CC1 ZINC000012856792 519471358 /nfs/dbraw/zinc/47/13/58/519471358.db2.gz UJYOZNMMOQJOAL-UHFFFAOYSA-N 0 0 444.507 3.819 50 0 IHAARN CC(=O)N1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035927791 519528450 /nfs/dbraw/zinc/52/84/50/519528450.db2.gz UPFXWMLJWAKTBQ-UHFFFAOYSA-N 0 0 440.551 3.773 50 0 IHAARN CC(C)C(NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)C(C)C ZINC000024613243 519547188 /nfs/dbraw/zinc/54/71/88/519547188.db2.gz RSTZAXZEAONRBD-UHFFFAOYSA-N 0 0 432.989 3.818 50 0 IHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000012760228 519561918 /nfs/dbraw/zinc/56/19/18/519561918.db2.gz GIXFVBWJGUYIPW-UHFFFAOYSA-N 0 0 426.460 3.825 50 0 IHAARN CC(C)CC(=O)NCCNC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000035989086 519595306 /nfs/dbraw/zinc/59/53/06/519595306.db2.gz YKCCNBYHQRQXMQ-UHFFFAOYSA-N 0 0 438.475 3.998 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000021633519 519603461 /nfs/dbraw/zinc/60/34/61/519603461.db2.gz KOFXSZDMWQNOBA-UHFFFAOYSA-N 0 0 439.537 3.976 50 0 IHAARN CC(C)CCn1c2nnc(SCC(=O)N3CCCC[C@H]3C)n2c2ccsc2c1=O ZINC000035531705 519700981 /nfs/dbraw/zinc/70/09/81/519700981.db2.gz FNJZJMZZBMDHTR-CQSZACIVSA-N 0 0 433.603 3.645 50 0 IHAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(CCC(C)C)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021866862 519702619 /nfs/dbraw/zinc/70/26/19/519702619.db2.gz YTRAALNEZRJRBN-RUZDIDTESA-N 0 0 438.572 3.919 50 0 IHAARN CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000015772079 519711530 /nfs/dbraw/zinc/71/15/30/519711530.db2.gz JYXHIPXANGVZFO-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000020899501 519749741 /nfs/dbraw/zinc/74/97/41/519749741.db2.gz SOHXDAHPXSXGIP-UHFFFAOYSA-N 0 0 426.476 3.969 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1 ZINC000035588402 519787252 /nfs/dbraw/zinc/78/72/52/519787252.db2.gz AMQIURVPOCGIGW-UHFFFAOYSA-N 0 0 425.466 3.841 50 0 IHAARN CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 ZINC000012763667 519788693 /nfs/dbraw/zinc/78/86/93/519788693.db2.gz YAFRNPXLMNPNKT-UHFFFAOYSA-N 0 0 436.603 3.582 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)NCc1ccccc1Cl ZINC000020995201 519799429 /nfs/dbraw/zinc/79/94/29/519799429.db2.gz NGJVSQJZWQSUHO-LJQANCHMSA-N 0 0 431.945 3.508 50 0 IHAARN CC(C)c1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000035445547 519837085 /nfs/dbraw/zinc/83/70/85/519837085.db2.gz FSSSSGUGHPFDLO-QFIPXVFZSA-N 0 0 448.567 3.856 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000012797412 519837559 /nfs/dbraw/zinc/83/75/59/519837559.db2.gz YCHVUHIILLJTRL-NRFANRHFSA-N 0 0 432.542 3.523 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000023882427 519838612 /nfs/dbraw/zinc/83/86/12/519838612.db2.gz CLOKDWHBBGWZIZ-UHFFFAOYSA-N 0 0 425.554 3.972 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(F)ccc1Cl)[C@@H](C(=O)N(C)C)C2 ZINC000065167140 519878705 /nfs/dbraw/zinc/87/87/05/519878705.db2.gz OJWHZVNNYRHHDH-HXUWFJFHSA-N 0 0 445.922 3.873 50 0 IHAARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035947224 519882315 /nfs/dbraw/zinc/88/23/15/519882315.db2.gz YHMQYCQALRCRTO-OAQYLSRUSA-N 0 0 426.492 3.563 50 0 IHAARN CCOCCCNC(=O)c1c(=O)cc(C)n(Cc2ccncc2)c1CCc1ccccc1 ZINC000012247738 519893890 /nfs/dbraw/zinc/89/38/90/519893890.db2.gz DXHWNAPFCVCDBZ-UHFFFAOYSA-N 0 0 433.552 3.542 50 0 IHAARN CCCn1nnnc1CSc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1C ZINC000019037880 519897043 /nfs/dbraw/zinc/89/70/43/519897043.db2.gz YAJMGWBWDAFWBL-UHFFFAOYSA-N 0 0 426.571 3.968 50 0 IHAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(C)C ZINC000036031969 519902536 /nfs/dbraw/zinc/90/25/36/519902536.db2.gz ZKQVQLJSCLWUOK-UHFFFAOYSA-N 0 0 436.647 3.618 50 0 IHAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C1CC1 ZINC000036040623 519902682 /nfs/dbraw/zinc/90/26/82/519902682.db2.gz VXXHXZOVELMPDB-UHFFFAOYSA-N 0 0 448.658 3.680 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCc2c(sc3ncnc(N)c23)C1 ZINC000012608333 520079746 /nfs/dbraw/zinc/07/97/46/520079746.db2.gz AIDAIUOJVMHOPB-UHFFFAOYSA-N 0 0 433.541 3.675 50 0 IHAARN CCCCCn1c2nnc(CCC(=O)NCCc3ccccc3)n2c2ccsc2c1=O ZINC000035528616 520332608 /nfs/dbraw/zinc/33/26/08/520332608.db2.gz UZFXWIGYZWQEQT-UHFFFAOYSA-N 0 0 437.569 3.587 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000012776819 520354469 /nfs/dbraw/zinc/35/44/69/520354469.db2.gz JDHGEFXHMATZRL-MRXNPFEDSA-N 0 0 431.920 3.750 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000021130661 520359418 /nfs/dbraw/zinc/35/94/18/520359418.db2.gz QSWYBRHEPVHQQL-UHFFFAOYSA-N 0 0 444.340 3.601 50 0 IHAARN CCCOc1ccc(CNC(=O)[C@@H](CC)n2nc(CC)n3c4ccoc4cc3c2=O)cc1 ZINC000020863308 520359327 /nfs/dbraw/zinc/35/93/27/520359327.db2.gz QKLYLVSLXJPLAB-GOSISDBHSA-N 0 0 436.512 3.861 50 0 IHAARN CCCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COC)s3)cc2)cc1 ZINC000033032186 520364600 /nfs/dbraw/zinc/36/46/00/520364600.db2.gz QEOLVRYECPUCGV-UHFFFAOYSA-N 0 0 440.525 3.656 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccccc1OC ZINC000035766866 520441004 /nfs/dbraw/zinc/44/10/04/520441004.db2.gz LKBNFLSYPLBARK-HXUWFJFHSA-N 0 0 428.529 3.738 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2csc(SC)n2)CC1 ZINC000012304012 520461929 /nfs/dbraw/zinc/46/19/29/520461929.db2.gz ODMUVGJCYUXZCL-UHFFFAOYSA-N 0 0 434.583 3.902 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2CC)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350084 520474539 /nfs/dbraw/zinc/47/45/39/520474539.db2.gz MOVUFDYJGHVDAB-HSZRJFAPSA-N 0 0 445.523 3.726 50 0 IHAARN CCCCN(CC)C(=O)c1sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1C ZINC000020758083 520475013 /nfs/dbraw/zinc/47/50/13/520475013.db2.gz SOQRDRNVNRASSR-HZPDHXFCSA-N 0 0 446.617 3.533 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(F)c2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350924 520475498 /nfs/dbraw/zinc/47/54/98/520475498.db2.gz HYSAHTWTIXBZGI-JOCHJYFZSA-N 0 0 449.486 3.611 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(CC)cc2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349861 520475798 /nfs/dbraw/zinc/47/57/98/520475798.db2.gz SMCWXHJJFFEDDY-HSZRJFAPSA-N 0 0 445.523 3.726 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(C)cc(C)c2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350248 520475815 /nfs/dbraw/zinc/47/58/15/520475815.db2.gz IFZUIKSUQKCWDF-QHCPKHFHSA-N 0 0 445.523 3.780 50 0 IHAARN CCCCN(CCCC)c1nc(F)c2c(c1F)S(=O)(=O)CCN2Cc1cccnc1 ZINC000024616099 520498850 /nfs/dbraw/zinc/49/88/50/520498850.db2.gz DHFADEWKMYBBHO-UHFFFAOYSA-N 0 0 438.544 3.955 50 0 IHAARN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560248 520509562 /nfs/dbraw/zinc/50/95/62/520509562.db2.gz HMZWSPULHLGIOR-DEOSSOPVSA-N 0 0 431.536 3.955 50 0 IHAARN CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012412553 520519814 /nfs/dbraw/zinc/51/98/14/520519814.db2.gz RPKUJCLNCUFXIG-LJQANCHMSA-N 0 0 434.323 3.954 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012689041 520522849 /nfs/dbraw/zinc/52/28/49/520522849.db2.gz CRGRKHCCZMGLST-SFHVURJKSA-N 0 0 432.835 3.507 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 ZINC000012180647 520524963 /nfs/dbraw/zinc/52/49/63/520524963.db2.gz HTSUSSHQCAUVPE-UHFFFAOYSA-N 0 0 442.990 3.774 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cccc(OC)c3OC)ccc21 ZINC000022505388 520525019 /nfs/dbraw/zinc/52/50/19/520525019.db2.gz TVXICHOFLWQBCR-UHFFFAOYSA-N 0 0 433.530 3.840 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000012180476 520525132 /nfs/dbraw/zinc/52/51/32/520525132.db2.gz YXDNZPUCFKZYPP-UHFFFAOYSA-N 0 0 442.990 3.774 50 0 IHAARN CC1(C)C[C@H](NC(=O)COc2ccccc2)C[C@](C)(CNC(=O)COc2ccccc2)C1 ZINC000012384366 520550305 /nfs/dbraw/zinc/55/03/05/520550305.db2.gz ACZFMLYUNUPEFO-FNZWTVRRSA-N 0 0 438.568 3.962 50 0 IHAARN CCCCN1C(=O)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000012419960 520561533 /nfs/dbraw/zinc/56/15/33/520561533.db2.gz NYNCGJRSZKKDLG-HXUWFJFHSA-N 0 0 432.483 3.854 50 0 IHAARN CCCCN1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021866413 520564828 /nfs/dbraw/zinc/56/48/28/520564828.db2.gz OWCGJEBZMACUBD-DEOSSOPVSA-N 0 0 442.535 3.812 50 0 IHAARN CCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021857778 520565907 /nfs/dbraw/zinc/56/59/07/520565907.db2.gz XLHVVKPYTXEKCQ-XMMPIXPASA-N 0 0 427.545 3.732 50 0 IHAARN CCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000012907724 520591258 /nfs/dbraw/zinc/59/12/58/520591258.db2.gz QRGAVZWBYJMJLZ-ZDUSSCGKSA-N 0 0 445.317 3.928 50 0 IHAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 ZINC000001093131 520640631 /nfs/dbraw/zinc/64/06/31/520640631.db2.gz HJLLIXPXDJITJH-FOIQADDNSA-N 0 0 444.519 3.553 50 0 IHAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000245228797 520650066 /nfs/dbraw/zinc/65/00/66/520650066.db2.gz FSGDLKDCMCTAEZ-ZMSDIMECSA-N 0 0 434.360 3.933 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044403 520665609 /nfs/dbraw/zinc/66/56/09/520665609.db2.gz AFYXVWAHFICYSF-DLBZAZTESA-N 0 0 446.569 3.546 50 0 IHAARN CCOC(=O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000012661206 520683242 /nfs/dbraw/zinc/68/32/42/520683242.db2.gz MXTPNBVONUDCQN-CJLVFECKSA-N 0 0 438.524 3.562 50 0 biogenic IHAARN CCCCNC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000033053342 520684464 /nfs/dbraw/zinc/68/44/64/520684464.db2.gz MLEYRSKTPKVXJD-UHFFFAOYSA-N 0 0 435.634 3.873 50 0 IHAARN CCC[C@@H](NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1)c1cccs1 ZINC000033006178 520729091 /nfs/dbraw/zinc/72/90/91/520729091.db2.gz MNQAHMUWCYZAEU-QGZVFWFLSA-N 0 0 439.585 3.747 50 0 IHAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892388 520782863 /nfs/dbraw/zinc/78/28/63/520782863.db2.gz XJOBKBBSAZOXBF-QFIPXVFZSA-N 0 0 425.435 3.933 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000015097356 520793880 /nfs/dbraw/zinc/79/38/80/520793880.db2.gz ZBNGSSWUGOEVEQ-UHFFFAOYSA-N 0 0 428.476 3.595 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccccc2C)c1 ZINC000012764694 520798776 /nfs/dbraw/zinc/79/87/76/520798776.db2.gz BIQBVIORYIWTJJ-UHFFFAOYSA-N 0 0 429.586 3.807 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000012797546 520806347 /nfs/dbraw/zinc/80/63/47/520806347.db2.gz YOTVLPSGQYXVSZ-AWEZNQCLSA-N 0 0 440.949 3.785 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(F)cc1)n2CC ZINC000012345585 520813068 /nfs/dbraw/zinc/81/30/68/520813068.db2.gz CUBGKRKMFPZCQX-UHFFFAOYSA-N 0 0 446.548 3.797 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3ccccc3OC(F)F)n2c1 ZINC000022313202 520817527 /nfs/dbraw/zinc/81/75/27/520817527.db2.gz QVEYPQDAPXFROV-UHFFFAOYSA-N 0 0 442.513 3.654 50 0 IHAARN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C(=O)OC)c3ccccc3c2=O)cc1 ZINC000020768785 520838736 /nfs/dbraw/zinc/83/87/36/520838736.db2.gz VYWSZLOGFWLINA-UHFFFAOYSA-N 0 0 443.459 3.823 50 0 IHAARN CCOC(=O)C[C@@H](CC(C)C)NC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020500986 520840845 /nfs/dbraw/zinc/84/08/45/520840845.db2.gz JEFZAPDYQVPVIT-QGZVFWFLSA-N 0 0 425.485 3.900 50 0 IHAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000012732281 520852643 /nfs/dbraw/zinc/85/26/43/520852643.db2.gz UADLYMZFDNKRCW-JXFKEZNVSA-N 0 0 434.552 3.652 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(F)cc1C ZINC000020932471 520859043 /nfs/dbraw/zinc/85/90/43/520859043.db2.gz PEYKYEGFDVSCCV-HXUWFJFHSA-N 0 0 444.503 3.642 50 0 IHAARN CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC000012817631 520864630 /nfs/dbraw/zinc/86/46/30/520864630.db2.gz DFNVIMKQDRWUJE-UHFFFAOYSA-N 0 0 426.288 3.500 50 0 IHAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)on1 ZINC000012442876 520897091 /nfs/dbraw/zinc/89/70/91/520897091.db2.gz XYJDNKJAFHMTAS-CQSZACIVSA-N 0 0 436.892 3.864 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(CC)cc1 ZINC000020931981 520901393 /nfs/dbraw/zinc/90/13/93/520901393.db2.gz KKEBRRKEKHMJKE-NRFANRHFSA-N 0 0 440.540 3.757 50 0 IHAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 ZINC000021726273 520918138 /nfs/dbraw/zinc/91/81/38/520918138.db2.gz FVNFBOKBJFQWCV-KRWDZBQOSA-N 0 0 431.500 3.580 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000021045427 520952226 /nfs/dbraw/zinc/95/22/26/520952226.db2.gz RLYJANWELKRBFB-LJQANCHMSA-N 0 0 430.932 3.849 50 0 IHAARN CC1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000014753010 520979205 /nfs/dbraw/zinc/97/92/05/520979205.db2.gz KPBUWMIPYJDNRQ-UHFFFAOYSA-N 0 0 428.554 3.667 50 0 IHAARN CCOc1ccc(CNC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)cc1OC ZINC000033009126 520995570 /nfs/dbraw/zinc/99/55/70/520995570.db2.gz VZLUYRYQJOEBBF-UHFFFAOYSA-N 0 0 437.521 3.863 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1 ZINC000035423422 520997435 /nfs/dbraw/zinc/99/74/35/520997435.db2.gz YLHXGMLSSIBGGP-UHFFFAOYSA-N 0 0 442.475 3.619 50 0 IHAARN CCOc1ccc(N(Cc2cc(C)ccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000021167238 521027554 /nfs/dbraw/zinc/02/75/54/521027554.db2.gz YBRTXAQBGPMBLT-NHCUHLMSSA-N 0 0 430.595 3.977 50 0 IHAARN CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3F)CC2=O)cc1 ZINC000012180208 521043330 /nfs/dbraw/zinc/04/33/30/521043330.db2.gz OSSMQXZWIWSJJH-ZDUSSCGKSA-N 0 0 436.281 3.914 50 0 IHAARN CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(Br)cc3F)CC2=O)cc1 ZINC000012180210 521044539 /nfs/dbraw/zinc/04/45/39/521044539.db2.gz OSSMQXZWIWSJJH-CYBMUJFWSA-N 0 0 436.281 3.914 50 0 IHAARN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000022907527 521047357 /nfs/dbraw/zinc/04/73/57/521047357.db2.gz WMZHQTVJDDOBMV-QFIPXVFZSA-N 0 0 433.508 3.533 50 0 IHAARN CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N(CC)CC ZINC000012928484 521050395 /nfs/dbraw/zinc/05/03/95/521050395.db2.gz XGLNUBRMPUGART-UHFFFAOYSA-N 0 0 434.533 3.925 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 ZINC000021657132 521066936 /nfs/dbraw/zinc/06/69/36/521066936.db2.gz NBHKNDULRAZLQT-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 ZINC000020579541 521075840 /nfs/dbraw/zinc/07/58/40/521075840.db2.gz DTPLWGIOIYPTSA-UHFFFAOYSA-N 0 0 441.487 3.973 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccccn2)cc3=O)cc1 ZINC000021663715 521076466 /nfs/dbraw/zinc/07/64/66/521076466.db2.gz AIWPPGJCKYBPOD-UHFFFAOYSA-N 0 0 439.475 3.749 50 0 IHAARN CCC(=O)N(Cc1ccc(OCc2cc(OC)cc(OC)c2)cc1)[C@H]1CCCCNC1=O ZINC000012196301 521088736 /nfs/dbraw/zinc/08/87/36/521088736.db2.gz SYORBIHBVSQGKR-QHCPKHFHSA-N 0 0 440.540 3.690 50 0 IHAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000020677298 521121913 /nfs/dbraw/zinc/12/19/13/521121913.db2.gz MNKVIHBPKIKLQP-UHFFFAOYSA-N 0 0 439.947 3.533 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000012820888 521202000 /nfs/dbraw/zinc/20/20/00/521202000.db2.gz IHYBSAQNOGRGBI-QGZVFWFLSA-N 0 0 426.538 3.784 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065166998 521219564 /nfs/dbraw/zinc/21/95/64/521219564.db2.gz YTKNJBJPOXHXOV-JOCHJYFZSA-N 0 0 449.551 3.623 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2F)N2CCOCC2)cc1OC ZINC000012816120 521261864 /nfs/dbraw/zinc/26/18/64/521261864.db2.gz MCVJVXLBAFNLJW-IBGZPJMESA-N 0 0 436.911 3.690 50 0 IHAARN CCOC(=O)[C@H]1CCCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccccc2)C1 ZINC000022574046 521303927 /nfs/dbraw/zinc/30/39/27/521303927.db2.gz DLEPZQHVFSCIOI-INIZCTEOSA-N 0 0 442.512 3.986 50 0 IHAARN CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000032551567 521322979 /nfs/dbraw/zinc/32/29/79/521322979.db2.gz PZOBQUXRBGNLER-UHFFFAOYSA-N 0 0 432.311 3.816 50 0 IHAARN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)ccc12 ZINC000015370736 521351955 /nfs/dbraw/zinc/35/19/55/521351955.db2.gz WUZXMIULODZSPT-OAHLLOKOSA-N 0 0 425.481 3.846 50 0 IHAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000012314560 521353803 /nfs/dbraw/zinc/35/38/03/521353803.db2.gz QQKMDFLVNODHOI-QHCPKHFHSA-N 0 0 429.538 3.938 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2cccs2)c1C ZINC000036002263 521362457 /nfs/dbraw/zinc/36/24/57/521362457.db2.gz SYJZUZGPIHJGSO-UHFFFAOYSA-N 0 0 425.510 3.790 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C ZINC000012513406 521362933 /nfs/dbraw/zinc/36/29/33/521362933.db2.gz JHUMNVRQSQXOGK-KRWDZBQOSA-N 0 0 441.528 3.983 50 0 IHAARN CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)[nH]n1 ZINC000012208021 521363260 /nfs/dbraw/zinc/36/32/60/521363260.db2.gz WJELDTUPUPLFFQ-UHFFFAOYSA-N 0 0 447.649 3.955 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC2CC2)C(=O)c2cccc(OC)c2)c1C ZINC000036003680 521363896 /nfs/dbraw/zinc/36/38/96/521363896.db2.gz ZCSUKWOUGIKMHP-INIZCTEOSA-N 0 0 426.513 3.940 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1C ZINC000012902976 521363968 /nfs/dbraw/zinc/36/39/68/521363968.db2.gz CYBYXJJFPAOZJQ-UHFFFAOYSA-N 0 0 426.441 3.918 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C ZINC000022083374 521368460 /nfs/dbraw/zinc/36/84/60/521368460.db2.gz HXOYYRBPOHEXLS-OXJNMPFZSA-N 0 0 438.553 3.857 50 0 IHAARN CCOC(=O)c1[nH]c(CN2CCN(c3cccc(Cl)c3)CC2)c(C(=O)OCC)c1C ZINC000013056251 521368908 /nfs/dbraw/zinc/36/89/08/521368908.db2.gz GFCFTPIEIBPVSM-UHFFFAOYSA-N 0 0 433.936 3.652 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012377629 521372421 /nfs/dbraw/zinc/37/24/21/521372421.db2.gz PREHQJYVZNQTCN-GASCZTMLSA-N 0 0 432.542 3.648 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000012682657 521382738 /nfs/dbraw/zinc/38/27/38/521382738.db2.gz RUYXQGVIUYUPBB-DEOSSOPVSA-N 0 0 439.512 3.582 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=S)NC(C)C ZINC000036031983 521431394 /nfs/dbraw/zinc/43/13/94/521431394.db2.gz SKOGCENTMIVXCS-UHFFFAOYSA-N 0 0 436.647 3.618 50 0 IHAARN CCOc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 ZINC000021796936 521463301 /nfs/dbraw/zinc/46/33/01/521463301.db2.gz KHCVYSLRVQIRPG-UHFFFAOYSA-N 0 0 447.495 3.702 50 0 IHAARN CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cccs3)C(C(=O)OC)=C2)cc1 ZINC000001140701 521484243 /nfs/dbraw/zinc/48/42/43/521484243.db2.gz MHECGIHFYSBSHD-UHFFFAOYSA-N 0 0 427.478 3.642 50 0 IHAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000001037235 521486519 /nfs/dbraw/zinc/48/65/19/521486519.db2.gz PGYCMMISFBSUHE-UHFFFAOYSA-N 0 0 435.480 3.916 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000020733802 521490476 /nfs/dbraw/zinc/49/04/76/521490476.db2.gz KQFYBWVVVARNLK-UHFFFAOYSA-N 0 0 437.471 3.787 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000035373500 521492838 /nfs/dbraw/zinc/49/28/38/521492838.db2.gz OQLJMQWVVIRPHX-UHFFFAOYSA-N 0 0 446.463 3.635 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012579600 521498072 /nfs/dbraw/zinc/49/80/72/521498072.db2.gz OPCDBQOPTYQRAK-IYBDPMFKSA-N 0 0 436.961 3.805 50 0 IHAARN CCOc1ccccc1CNS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000021154523 521505040 /nfs/dbraw/zinc/50/50/40/521505040.db2.gz VMZZLHNTAVHNBE-UHFFFAOYSA-N 0 0 447.601 3.535 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3n3c(CC)nnc23)c1 ZINC000035426711 521539101 /nfs/dbraw/zinc/53/91/01/521539101.db2.gz ZRCUQKQOAMSNSK-UHFFFAOYSA-N 0 0 435.509 3.747 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404083 521549175 /nfs/dbraw/zinc/54/91/75/521549175.db2.gz SFLOQQBBRGLXFP-UHFFFAOYSA-N 0 0 430.508 3.777 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)cc1F ZINC000021224778 521551373 /nfs/dbraw/zinc/55/13/73/521551373.db2.gz OUKMWAAXCSBKTP-UHFFFAOYSA-N 0 0 438.830 3.936 50 0 IHAARN CCCN(CC(=O)Nc1cc(OCC)ccc1OCC)Cc1nc2ccsc2c(=O)[nH]1 ZINC000012780812 521551758 /nfs/dbraw/zinc/55/17/58/521551758.db2.gz LWCSFFAKUFXLEQ-UHFFFAOYSA-N 0 0 444.557 3.633 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000023395366 521553546 /nfs/dbraw/zinc/55/35/46/521553546.db2.gz MHOPQJMWYUZWHO-UHFFFAOYSA-N 0 0 446.447 3.633 50 0 IHAARN CCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)C(CC)CC)cc2=O)s1 ZINC000015772473 521557531 /nfs/dbraw/zinc/55/75/31/521557531.db2.gz NIQCCOGSFYUEOV-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CCOc1ccccc1[C@@H]1OCCn2c(-c3cccc(C)c3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000035373199 521581143 /nfs/dbraw/zinc/58/11/43/521581143.db2.gz WDLXNAZSIRSPFM-DEOSSOPVSA-N 0 0 445.519 3.532 50 0 IHAARN CCCn1c(CCC(=O)N[C@@H](C)C(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000021871757 521627872 /nfs/dbraw/zinc/62/78/72/521627872.db2.gz ZAOTTWPZRJAFCS-KRWDZBQOSA-N 0 0 436.622 3.570 50 0 IHAARN CCCn1c2ccccc2n(CCC(=O)Nc2nc(CN3CCCCC3)cs2)c1=O ZINC000022290377 521638661 /nfs/dbraw/zinc/63/86/61/521638661.db2.gz LJRPQJZFNRTDJJ-UHFFFAOYSA-N 0 0 427.574 3.684 50 0 IHAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)c2ccc(C)c(N3CCCC3=O)c2)C1 ZINC000065284918 521640597 /nfs/dbraw/zinc/64/05/97/521640597.db2.gz NJVKYSZSBDZNGR-LJQANCHMSA-N 0 0 431.540 3.906 50 0 IHAARN CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012814650 521683032 /nfs/dbraw/zinc/68/30/32/521683032.db2.gz MELMHKBGRAQTQW-UHFFFAOYSA-N 0 0 432.561 3.974 50 0 IHAARN CCCN(Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012515176 521696396 /nfs/dbraw/zinc/69/63/96/521696396.db2.gz ZJQNODZPTROEIE-QGZVFWFLSA-N 0 0 448.639 3.988 50 0 IHAARN CCCN([C@@H](C)C(=O)c1c(C)c(C(=O)OC)n(CC)c1C)S(=O)(=O)c1ccccc1 ZINC000036025796 521696500 /nfs/dbraw/zinc/69/65/00/521696500.db2.gz MTVLIAXIXAHDDN-KRWDZBQOSA-N 0 0 434.558 3.584 50 0 IHAARN CCCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000012923187 521697067 /nfs/dbraw/zinc/69/70/67/521697067.db2.gz OWELHXXMUTUFOU-CQSZACIVSA-N 0 0 438.933 3.555 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928157 521703148 /nfs/dbraw/zinc/70/31/48/521703148.db2.gz IUXCDPYDSFCONU-FCHUYYIVSA-N 0 0 440.540 3.928 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928205 521703454 /nfs/dbraw/zinc/70/34/54/521703454.db2.gz ZLWKNLVYAMCPRJ-FCHUYYIVSA-N 0 0 438.524 3.682 50 0 IHAARN CCOCCCN(C(=O)c1cccc(OC)c1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004193 521704274 /nfs/dbraw/zinc/70/42/74/521704274.db2.gz DALNDXICBMHHAH-KRWDZBQOSA-N 0 0 444.528 3.567 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C)C(=O)c1ccc(F)cc1 ZINC000036018759 521704774 /nfs/dbraw/zinc/70/47/74/521704774.db2.gz FNTAJRONARSCSF-UHFFFAOYSA-N 0 0 446.519 3.802 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035960680 521739049 /nfs/dbraw/zinc/73/90/49/521739049.db2.gz AZMZBGYBAGRRMX-HXUWFJFHSA-N 0 0 428.920 3.688 50 0 IHAARN COC(=O)c1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000036014535 521751669 /nfs/dbraw/zinc/75/16/69/521751669.db2.gz JXNVNSUWOOFUOU-UHFFFAOYSA-N 0 0 428.529 3.808 50 0 IHAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C2CCC2)c(C)n1C ZINC000036018026 521752559 /nfs/dbraw/zinc/75/25/59/521752559.db2.gz KKAZNKBLTIQZSO-INIZCTEOSA-N 0 0 428.504 3.968 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467022 521820231 /nfs/dbraw/zinc/82/02/31/521820231.db2.gz QTVJCKCVLURQQM-SFHVURJKSA-N 0 0 447.564 3.615 50 0 IHAARN CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000012810387 521845621 /nfs/dbraw/zinc/84/56/21/521845621.db2.gz PXYJBMZMXVSLLY-SFHVURJKSA-N 0 0 445.519 3.699 50 0 IHAARN CCc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1 ZINC000012556187 521855068 /nfs/dbraw/zinc/85/50/68/521855068.db2.gz HNTCOBGIIHRDLH-ZRZAMGCNSA-N 0 0 445.563 3.891 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1C ZINC000033287609 521874468 /nfs/dbraw/zinc/87/44/68/521874468.db2.gz PQZRNPRHEXKPLJ-UHFFFAOYSA-N 0 0 436.537 3.727 50 0 IHAARN CCc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378605 521920249 /nfs/dbraw/zinc/92/02/49/521920249.db2.gz DMBVTCLXHSXMAI-UHFFFAOYSA-N 0 0 433.464 3.755 50 0 IHAARN COc1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC ZINC000012773089 521932746 /nfs/dbraw/zinc/93/27/46/521932746.db2.gz ZCILIXLLMDTPPB-VQHVLOKHSA-N 0 0 438.933 3.568 50 0 IHAARN COc1cc(/C=C\C(=O)N(C)CC(=O)Nc2ccccc2SC)cc(OC)c1OC ZINC000035685000 521979963 /nfs/dbraw/zinc/97/99/63/521979963.db2.gz LOONYVSPKAFHJK-KHPPLWFESA-N 0 0 430.526 3.545 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000001077021 522094009 /nfs/dbraw/zinc/09/40/09/522094009.db2.gz ITSBZGYZMBHUQQ-UHFFFAOYSA-N 0 0 445.504 3.847 50 0 IHAARN COc1cc(C(=O)N[C@H](c2nccn2C)c2ccccc2)cc(OC)c1Br ZINC000012507611 522144154 /nfs/dbraw/zinc/14/41/54/522144154.db2.gz LSOCHJYDZACFMA-SFHVURJKSA-N 0 0 430.302 3.719 50 0 IHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)no1 ZINC000033086457 522144996 /nfs/dbraw/zinc/14/49/96/522144996.db2.gz XGTDXEOFOANKKG-UHFFFAOYSA-N 0 0 440.569 3.735 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(C[C@H]1CCCO1)C(=O)Cc1cccs1 ZINC000035944942 522222725 /nfs/dbraw/zinc/22/27/25/522222725.db2.gz UJBVEYCPWGQJAT-HXUWFJFHSA-N 0 0 441.597 3.913 50 0 IHAARN CN(C)c1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cn2)c2c[nH]c3ccccc32)cc1 ZINC000012534039 522245074 /nfs/dbraw/zinc/24/50/74/522245074.db2.gz OGDDSNDPUVJEJI-HXUWFJFHSA-N 0 0 435.553 3.520 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1cccc2ccccc21 ZINC000021177902 522520898 /nfs/dbraw/zinc/52/08/98/522520898.db2.gz GFLMHAFEOPRNSV-UHFFFAOYSA-N 0 0 440.883 3.512 50 0 IHAARN CC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(Br)cc1 ZINC000012760407 522528968 /nfs/dbraw/zinc/52/89/68/522528968.db2.gz WGWMTEYVIIIYMA-SFHVURJKSA-N 0 0 426.314 3.935 50 0 IHAARN CCc1nc2sc([C@@H](c3ccc(Cl)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854050 522534503 /nfs/dbraw/zinc/53/45/03/522534503.db2.gz PTCUYXCRZLVHDV-MRXNPFEDSA-N 0 0 434.949 3.641 50 0 IHAARN CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)[NH+]3CCC(O)CC3)c([O-])n2n1 ZINC000012341972 522536224 /nfs/dbraw/zinc/53/62/24/522536224.db2.gz VORWUONUYDOEOB-HNNXBMFYSA-N 0 0 426.464 3.624 50 0 IHAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000012932706 522625908 /nfs/dbraw/zinc/62/59/08/522625908.db2.gz AINYEKSBDYIROV-BXUGYJKXSA-N 0 0 430.570 3.949 50 0 IHAARN COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1Cl ZINC000021360737 522800523 /nfs/dbraw/zinc/80/05/23/522800523.db2.gz PXSMEMHGDNFNOB-UHFFFAOYSA-N 0 0 434.924 3.709 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012800972 522817542 /nfs/dbraw/zinc/81/75/42/522817542.db2.gz YSNKKXBCHBQTBO-KOEDOTQGSA-N 0 0 425.481 3.861 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)CCCOc1cccc(Br)c1 ZINC000018113179 522824188 /nfs/dbraw/zinc/82/41/88/522824188.db2.gz UPPSOGIDLUQWLU-UHFFFAOYSA-N 0 0 438.318 3.950 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(CN4CCOCC4)cs3)cc2)c1 ZINC000012418258 522857792 /nfs/dbraw/zinc/85/77/92/522857792.db2.gz INMQXHCIXIDVND-UHFFFAOYSA-N 0 0 439.537 3.912 50 0 IHAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402667 522866619 /nfs/dbraw/zinc/86/66/19/522866619.db2.gz KHAGNADXVFEGOW-HXUWFJFHSA-N 0 0 430.467 3.606 50 0 IHAARN COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000012561841 522871200 /nfs/dbraw/zinc/87/12/00/522871200.db2.gz OYSQRHWMCQGCHP-GOSISDBHSA-N 0 0 428.510 3.595 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 ZINC000012627558 522877487 /nfs/dbraw/zinc/87/74/87/522877487.db2.gz FOMYNWIDEMAVLS-GOSISDBHSA-N 0 0 448.292 3.858 50 0 IHAARN COCc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccc(Br)cc1 ZINC000020715864 522896411 /nfs/dbraw/zinc/89/64/11/522896411.db2.gz WTPKXFBFVPDIEJ-UHFFFAOYSA-N 0 0 426.274 3.817 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2ccc(F)cc2)c1=O ZINC000020899362 522900389 /nfs/dbraw/zinc/90/03/89/522900389.db2.gz IUJJKTMAHUSOSP-UHFFFAOYSA-N 0 0 435.278 3.747 50 0 IHAARN CCc1noc(Cn2cnc3c4cc(OC)ccc4n(Cc4ccccc4F)c3c2=O)n1 ZINC000033311860 522901259 /nfs/dbraw/zinc/90/12/59/522901259.db2.gz VCBREUAEHPEPDQ-UHFFFAOYSA-N 0 0 433.443 3.541 50 0 IHAARN CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000012430594 522985189 /nfs/dbraw/zinc/98/51/89/522985189.db2.gz NOPVUZFECXKUID-UHFFFAOYSA-N 0 0 429.311 3.824 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1Cl)C2 ZINC000020745942 523019463 /nfs/dbraw/zinc/01/94/63/523019463.db2.gz QSWSRZKGPPSQPF-UHFFFAOYSA-N 0 0 439.899 3.587 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)N(C(=O)Nc1ccccc1F)CC2 ZINC000036048377 523038567 /nfs/dbraw/zinc/03/85/67/523038567.db2.gz ZJWPXJXUJRWIMM-LJQANCHMSA-N 0 0 429.492 3.746 50 0 IHAARN COc1cc2nc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)sc2cc1OC ZINC000012792847 523067080 /nfs/dbraw/zinc/06/70/80/523067080.db2.gz BDXWMKWXKYWRIU-OAHLLOKOSA-N 0 0 427.482 3.683 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996850 523100069 /nfs/dbraw/zinc/10/00/69/523100069.db2.gz AACNDTTZCAEWGZ-GOSISDBHSA-N 0 0 439.537 3.787 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(C)c2)c(C)n3C)cc1 ZINC000035448859 523122500 /nfs/dbraw/zinc/12/25/00/523122500.db2.gz SMQFRTBMBRUTCC-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)nn2)cc1 ZINC000023143146 523134117 /nfs/dbraw/zinc/13/41/17/523134117.db2.gz NOLOMZBWAAFPOC-UHFFFAOYSA-N 0 0 446.507 3.779 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(F)c3F)n2)cc1 ZINC000015670239 523156211 /nfs/dbraw/zinc/15/62/11/523156211.db2.gz BWRVSZFPLXFERH-INIZCTEOSA-N 0 0 448.433 3.794 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)ccc3F)n2)cc1 ZINC000015670243 523157318 /nfs/dbraw/zinc/15/73/18/523157318.db2.gz DSIYFTZZNHBSTO-KRWDZBQOSA-N 0 0 448.433 3.794 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)c(OC)c1 ZINC000012755155 523167490 /nfs/dbraw/zinc/16/74/90/523167490.db2.gz IBHAMQWNWUDKMW-UHFFFAOYSA-N 0 0 447.463 3.864 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000012125137 523188902 /nfs/dbraw/zinc/18/89/02/523188902.db2.gz TZVDRCWMPCSWJI-SJORKVTESA-N 0 0 441.601 3.659 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1OC ZINC000012564261 523188960 /nfs/dbraw/zinc/18/89/60/523188960.db2.gz PRNWKLPJMQVSTH-UHFFFAOYSA-N 0 0 427.501 3.929 50 0 IHAARN COc1ccc(-c2nc(C(=O)NCCc3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000018073621 523190787 /nfs/dbraw/zinc/19/07/87/523190787.db2.gz YBGRHIOWTPCTOD-UHFFFAOYSA-N 0 0 426.494 3.571 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC ZINC000012583608 523196360 /nfs/dbraw/zinc/19/63/60/523196360.db2.gz UNPAWMUCSBEWBD-HNNXBMFYSA-N 0 0 449.536 3.828 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCN(Cc4ccccc4F)CC3)cs2)cc1 ZINC000012600611 523196394 /nfs/dbraw/zinc/19/63/94/523196394.db2.gz SCVDYOMKSUIWFM-UHFFFAOYSA-N 0 0 425.529 3.845 50 0 IHAARN CCn1c2ccc(C(=O)N3CCN(Cc4cccc5ccccc54)CC3)cc2nc(C)c1=O ZINC000022287035 523262624 /nfs/dbraw/zinc/26/26/24/523262624.db2.gz CJBFBKVASCGRFH-UHFFFAOYSA-N 0 0 440.547 3.836 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033293153 523274676 /nfs/dbraw/zinc/27/46/76/523274676.db2.gz PYGWYDDXAHJBDI-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3Cl)CC2)c1=O ZINC000033169631 523284596 /nfs/dbraw/zinc/28/45/96/523284596.db2.gz GLMYFCSWLHIWFX-UHFFFAOYSA-N 0 0 425.920 3.860 50 0 IHAARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)n2)cc1OC ZINC000012843397 523284681 /nfs/dbraw/zinc/28/46/81/523284681.db2.gz ZDHYIEAIJWIPHK-UHFFFAOYSA-N 0 0 431.514 3.662 50 0 IHAARN CCn1c2nnc(SCc3ccc(N4CCCC4=O)cc3)n2c2ccsc2c1=O ZINC000035529185 523299687 /nfs/dbraw/zinc/29/96/87/523299687.db2.gz TZMBSXHYXZUPSC-UHFFFAOYSA-N 0 0 425.539 3.545 50 0 IHAARN COc1ccc(-n2c(CNC(=O)Cc3cccc(C(F)(F)F)c3)nnc2SC)cc1 ZINC000012152722 523317719 /nfs/dbraw/zinc/31/77/19/523317719.db2.gz QWYHXEPZSFHGTI-UHFFFAOYSA-N 0 0 436.459 3.876 50 0 IHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(C)=O)cc1OC ZINC000036049350 523327266 /nfs/dbraw/zinc/32/72/66/523327266.db2.gz WFOUWIPYEFHAEQ-UHFFFAOYSA-N 0 0 448.523 3.754 50 0 IHAARN CCn1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)c2ccc(C)nc21 ZINC000012391773 523328972 /nfs/dbraw/zinc/32/89/72/523328972.db2.gz BJHBXKTZDUXPHX-UHFFFAOYSA-N 0 0 425.916 3.502 50 0 IHAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036006033 523345268 /nfs/dbraw/zinc/34/52/68/523345268.db2.gz HAUFCFDEPXZLHW-UHFFFAOYSA-N 0 0 448.571 3.705 50 0 IHAARN COc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)cc1OC ZINC000035622300 523355284 /nfs/dbraw/zinc/35/52/84/523355284.db2.gz ZGUNBKYLWICYJI-UHFFFAOYSA-N 0 0 437.500 3.722 50 0 IHAARN CC[C@@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 ZINC000012675374 523372876 /nfs/dbraw/zinc/37/28/76/523372876.db2.gz NHCGOPDQALUXIP-OAHLLOKOSA-N 0 0 434.583 3.536 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)ccc21 ZINC000021938018 523496470 /nfs/dbraw/zinc/49/64/70/523496470.db2.gz CLAJURIMLNMOCP-LJQANCHMSA-N 0 0 443.544 3.517 50 0 IHAARN COCCCn1c(C(=O)N(Cc2ccccc2)C(C)C)cc2c1nc1ccccn1c2=O ZINC000033550904 523499061 /nfs/dbraw/zinc/49/90/61/523499061.db2.gz BOWWSQULIAPYII-UHFFFAOYSA-N 0 0 432.524 3.737 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)CC2)cc1 ZINC000012739551 523574968 /nfs/dbraw/zinc/57/49/68/523574968.db2.gz ZHNKOFQODCODQB-NRFANRHFSA-N 0 0 434.536 3.786 50 0 IHAARN COc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C(C)(C)C)cc2)C(=O)N3)c(OC)c1 ZINC000020556423 523627117 /nfs/dbraw/zinc/62/71/17/523627117.db2.gz ZSGIQFMXSGMISB-UHFFFAOYSA-N 0 0 449.551 3.553 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)NC(C)C ZINC000035961755 523653181 /nfs/dbraw/zinc/65/31/81/523653181.db2.gz SRGJZIMTBTYSJD-IBGZPJMESA-N 0 0 446.548 3.631 50 0 IHAARN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000034709551 523669453 /nfs/dbraw/zinc/66/94/53/523669453.db2.gz XGJMDAXCSWFLIG-GOTSBHOMSA-N 0 0 429.520 3.653 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012768066 523731608 /nfs/dbraw/zinc/73/16/08/523731608.db2.gz DOKZGVBGPQDYRE-RTWAWAEBSA-N 0 0 431.964 3.522 50 0 IHAARN COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1Br ZINC000012925740 523736664 /nfs/dbraw/zinc/73/66/64/523736664.db2.gz TZQPGFVIRKMLBY-LJQANCHMSA-N 0 0 433.346 3.569 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000012417926 523749856 /nfs/dbraw/zinc/74/98/56/523749856.db2.gz XNLNCDIQUVREBK-KBPBESRZSA-N 0 0 432.904 3.859 50 0 IHAARN CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)on1 ZINC000012593548 523753155 /nfs/dbraw/zinc/75/31/55/523753155.db2.gz YAYOBKUZONFFJR-KRWDZBQOSA-N 0 0 425.514 3.697 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000012551045 523755082 /nfs/dbraw/zinc/75/50/82/523755082.db2.gz XCVPKRQXYYXWPH-PBHICJAKSA-N 0 0 446.525 3.533 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021782971 523807560 /nfs/dbraw/zinc/80/75/60/523807560.db2.gz KBABHXNFKVCFIB-HSZRJFAPSA-N 0 0 437.496 3.608 50 0 IHAARN CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)n2)cc1 ZINC000022892505 523862697 /nfs/dbraw/zinc/86/26/97/523862697.db2.gz KFXDFGCPSXXXNK-UHFFFAOYSA-N 0 0 433.556 3.672 50 0 IHAARN CN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c2nc3ccccc3nc21 ZINC000012901519 523871987 /nfs/dbraw/zinc/87/19/87/523871987.db2.gz UZOPMFAQNBFFOQ-UHFFFAOYSA-N 0 0 434.887 3.749 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1cccs1)CC2 ZINC000036026578 523878685 /nfs/dbraw/zinc/87/86/85/523878685.db2.gz VCGBHBVGUQPSAT-AZUAARDMSA-N 0 0 425.598 3.770 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000035553141 523894930 /nfs/dbraw/zinc/89/49/30/523894930.db2.gz QADVYVUGTZJASQ-UHFFFAOYSA-N 0 0 432.524 3.904 50 0 IHAARN COc1ccc(CCC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1 ZINC000035530866 523917456 /nfs/dbraw/zinc/91/74/56/523917456.db2.gz WFWUAVPVMYRDKD-UHFFFAOYSA-N 0 0 430.495 3.851 50 0 IHAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012281540 523951285 /nfs/dbraw/zinc/95/12/85/523951285.db2.gz AGFJPJMGHFYIED-LEWJYISDSA-N 0 0 426.582 3.849 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 ZINC000021599790 523955646 /nfs/dbraw/zinc/95/56/46/523955646.db2.gz PEHDQFIQQNLYBU-UHFFFAOYSA-N 0 0 430.508 3.817 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000033058735 523964105 /nfs/dbraw/zinc/96/41/05/523964105.db2.gz NYYYNXRXSWCPNA-DVQDXYAYSA-N 0 0 445.585 3.777 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000021018828 523968546 /nfs/dbraw/zinc/96/85/46/523968546.db2.gz SRBMBKCBRDWHJH-JOCHJYFZSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN CCc1ccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1 ZINC000020597847 523977254 /nfs/dbraw/zinc/97/72/54/523977254.db2.gz BRGDXZKAELNAOD-UHFFFAOYSA-N 0 0 444.582 3.530 50 0 IHAARN COc1ccc(CN(C(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)C2CC2)cc1 ZINC000022092187 523988865 /nfs/dbraw/zinc/98/88/65/523988865.db2.gz RCEHATNVBZNCRY-NRFANRHFSA-N 0 0 429.586 3.971 50 0 IHAARN COc1ccc(CN(C)C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1F ZINC000012779189 523994267 /nfs/dbraw/zinc/99/42/67/523994267.db2.gz CMSISGIDQFMCED-UHFFFAOYSA-N 0 0 436.483 3.802 50 0 IHAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000012550986 524004756 /nfs/dbraw/zinc/00/47/56/524004756.db2.gz WEBFCNDHZMJKBE-WMZOPIPTSA-N 0 0 440.569 3.660 50 0 IHAARN CCc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378567 524005774 /nfs/dbraw/zinc/00/57/74/524005774.db2.gz BBZACPPEZHPGEG-UHFFFAOYSA-N 0 0 433.464 3.755 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000035456256 524064057 /nfs/dbraw/zinc/06/40/57/524064057.db2.gz QHTITELREVFSLT-UHFFFAOYSA-N 0 0 430.552 3.620 50 0 IHAARN COc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccccc3C)c3ccccc23)cc1 ZINC000021361204 524105659 /nfs/dbraw/zinc/10/56/59/524105659.db2.gz DVEROFUMOBDHSN-UHFFFAOYSA-N 0 0 428.492 3.964 50 0 IHAARN Cc1cccc(-c2nn(CN(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 ZINC000012878678 524121267 /nfs/dbraw/zinc/12/12/67/524121267.db2.gz FHAFUDRBFYGNLH-HXUWFJFHSA-N 0 0 442.610 3.573 50 0 IHAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(=O)NCc2ccco2)c1 ZINC000024180666 524121907 /nfs/dbraw/zinc/12/19/07/524121907.db2.gz GRFHEVGMNKYUOM-UHFFFAOYSA-N 0 0 432.455 3.626 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1 ZINC000035505076 524123228 /nfs/dbraw/zinc/12/32/28/524123228.db2.gz NMJUARQGPJKVQK-LJQANCHMSA-N 0 0 435.597 3.873 50 0 IHAARN Cc1cccc(-c2nnc([C@@H](C)OC(=O)CCNC(=O)CCC(=O)c3cccs3)o2)c1 ZINC000021732062 524127372 /nfs/dbraw/zinc/12/73/72/524127372.db2.gz VCGWPVUJSIQFFF-OAHLLOKOSA-N 0 0 441.509 3.880 50 0 IHAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000033068307 524167739 /nfs/dbraw/zinc/16/77/39/524167739.db2.gz SFDSTRINDHHPMM-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000012928807 524170694 /nfs/dbraw/zinc/17/06/94/524170694.db2.gz RHKKPHKSXAXHQV-CXAGYDPISA-N 0 0 429.380 3.542 50 0 IHAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCC3CC3)C[C@H]3CCCO3)no2)c(C)c1 ZINC000036015811 524210155 /nfs/dbraw/zinc/21/01/55/524210155.db2.gz PJGNGPGTORIFGT-HXUWFJFHSA-N 0 0 439.556 3.804 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000014463186 524228691 /nfs/dbraw/zinc/22/86/91/524228691.db2.gz RBQNWYHYQXDDCO-UHFFFAOYSA-N 0 0 428.963 3.766 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 ZINC000009651506 524230343 /nfs/dbraw/zinc/23/03/43/524230343.db2.gz DDXMSJULONFPMU-UHFFFAOYSA-N 0 0 433.896 3.962 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012782680 524238988 /nfs/dbraw/zinc/23/89/88/524238988.db2.gz ZUVWYFZTYKNBEA-INIZCTEOSA-N 0 0 429.948 3.704 50 0 IHAARN COc1cccc2sc(NC(=O)[C@@H](CCSC)NC(=O)COc3ccccc3)nc21 ZINC000012617160 524264309 /nfs/dbraw/zinc/26/43/09/524264309.db2.gz YNPHWRLBOUBBRE-OAHLLOKOSA-N 0 0 445.566 3.560 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000012762266 524273788 /nfs/dbraw/zinc/27/37/88/524273788.db2.gz LCGKXGFFGGWBQO-UHFFFAOYSA-N 0 0 437.584 3.897 50 0 IHAARN Cc1cccc(C)c1NC(=O)N(Cc1ccc(OS(C)(=O)=O)cc1)C[C@H]1CCCO1 ZINC000035777022 524287281 /nfs/dbraw/zinc/28/72/81/524287281.db2.gz WMSMLIKMGGTIEM-HXUWFJFHSA-N 0 0 432.542 3.855 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c(C)c1 ZINC000012445094 524292202 /nfs/dbraw/zinc/29/22/02/524292202.db2.gz JWTUFCDKESEFCE-UHFFFAOYSA-N 0 0 442.519 3.728 50 0 IHAARN Cc1cc(C)c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000020574811 524302032 /nfs/dbraw/zinc/30/20/32/524302032.db2.gz ZUAQPXVEUPNQPC-OAHLLOKOSA-N 0 0 432.567 3.705 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000012462027 524325836 /nfs/dbraw/zinc/32/58/36/524325836.db2.gz QJWITBMLURSPQU-UHFFFAOYSA-N 0 0 447.557 3.777 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907998 524326783 /nfs/dbraw/zinc/32/67/83/524326783.db2.gz PBEMKKAOSOHBBD-LJQANCHMSA-N 0 0 446.569 3.974 50 0 IHAARN COc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167121 524366129 /nfs/dbraw/zinc/36/61/29/524366129.db2.gz JQQPARHWKJALME-MSOLQXFVSA-N 0 0 440.949 3.763 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)C2CC2)C1 ZINC000034755234 524418184 /nfs/dbraw/zinc/41/81/84/524418184.db2.gz GEYNJRIAZOTKOQ-FCHUYYIVSA-N 0 0 438.543 3.844 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)COc2ccc(Cl)cc2C)CC3)n1 ZINC000012211925 524424093 /nfs/dbraw/zinc/42/40/93/524424093.db2.gz UGGWDTNDLAQPIU-FQEVSTJZSA-N 0 0 441.959 3.676 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c(OC)c1 ZINC000012820833 524445577 /nfs/dbraw/zinc/44/55/77/524445577.db2.gz YCPGBLNRLGVYOM-NSHDSACASA-N 0 0 431.901 3.959 50 0 IHAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000035503949 524458043 /nfs/dbraw/zinc/45/80/43/524458043.db2.gz PKYKSAMTMROMNF-UHFFFAOYSA-N 0 0 447.988 3.739 50 0 IHAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)cc1Cl ZINC000021940969 524471977 /nfs/dbraw/zinc/47/19/77/524471977.db2.gz IVLVNYFGWCPYRM-UHFFFAOYSA-N 0 0 439.903 3.625 50 0 IHAARN Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600966 524480185 /nfs/dbraw/zinc/48/01/85/524480185.db2.gz NGSNAJQLGPMAKB-UGKGYDQZSA-N 0 0 436.943 3.636 50 0 IHAARN Cc1cccc(Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccccc2)c1 ZINC000034692863 524494203 /nfs/dbraw/zinc/49/42/03/524494203.db2.gz YHEDFJFKBDPCDK-UHFFFAOYSA-N 0 0 436.515 3.948 50 0 IHAARN COc1ccc(NC(=O)CSC2=Nc3c(cnn3-c3ccccc3)C3=NCCCN23)cc1 ZINC000012323430 524503702 /nfs/dbraw/zinc/50/37/02/524503702.db2.gz VJHAJILDBPXMHG-UHFFFAOYSA-N 0 0 446.536 3.706 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21 ZINC000021532988 524529290 /nfs/dbraw/zinc/52/92/90/524529290.db2.gz LPQRUSZCOASHJI-IBGZPJMESA-N 0 0 433.556 3.543 50 0 IHAARN COc1ccccc1N(CC(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000012799512 524530079 /nfs/dbraw/zinc/53/00/79/524530079.db2.gz YPFCQWXLVUUICW-AZUAARDMSA-N 0 0 430.570 3.894 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2C)c(OC)c1 ZINC000012230371 524531629 /nfs/dbraw/zinc/53/16/29/524531629.db2.gz CDAPBZNQNXNQLN-UHFFFAOYSA-N 0 0 426.444 3.531 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)C4=CSCCO4)c3)C[C@H]2C)c1 ZINC000021019384 524552616 /nfs/dbraw/zinc/55/26/16/524552616.db2.gz LPCFRTSHDINYHA-GOSISDBHSA-N 0 0 437.565 3.889 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)o1 ZINC000035458085 524558066 /nfs/dbraw/zinc/55/80/66/524558066.db2.gz BQXVEJQJRQHKAN-QHCPKHFHSA-N 0 0 443.503 3.669 50 0 IHAARN COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000015226619 524560859 /nfs/dbraw/zinc/56/08/59/524560859.db2.gz KSPWGXIODJEGED-UHFFFAOYSA-N 0 0 442.399 3.511 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000390832743 524582766 /nfs/dbraw/zinc/58/27/66/524582766.db2.gz VULRRCBIMUUIGS-VGSWGCGISA-N 0 0 432.476 3.737 50 0 IHAARN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908220 524583544 /nfs/dbraw/zinc/58/35/44/524583544.db2.gz KBPHIQCOYBMOTR-FQEVSTJZSA-N 0 0 435.549 3.611 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000390832742 524583676 /nfs/dbraw/zinc/58/36/76/524583676.db2.gz VULRRCBIMUUIGS-VGOFRKELSA-N 0 0 432.476 3.737 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000044892044 524602875 /nfs/dbraw/zinc/60/28/75/524602875.db2.gz DFVZGFCPKJYCKX-DHIUTWEWSA-N 0 0 447.491 3.657 50 0 IHAARN COc1ccccc1NC(=O)Cn1nc2c3scc(-c4ccc(C)cc4)c3ncn2c1=O ZINC000021705200 524606578 /nfs/dbraw/zinc/60/65/78/524606578.db2.gz JJMNBYXANJJTHA-UHFFFAOYSA-N 0 0 445.504 3.728 50 0 IHAARN COc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1 ZINC000012235191 524719899 /nfs/dbraw/zinc/71/98/99/524719899.db2.gz CIQUHQIXFKEPDE-UHFFFAOYSA-N 0 0 429.484 3.752 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c1 ZINC000021100354 524720915 /nfs/dbraw/zinc/72/09/15/524720915.db2.gz RHCHGJQTLZGCLW-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000000882422 524728984 /nfs/dbraw/zinc/72/89/84/524728984.db2.gz VLEQZMOBTNFPKN-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN Cc1cccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1C ZINC000012885470 524768915 /nfs/dbraw/zinc/76/89/15/524768915.db2.gz ZCPQFLUNZRVINP-UHFFFAOYSA-N 0 0 425.293 3.924 50 0 IHAARN COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)c1 ZINC000022635932 524821312 /nfs/dbraw/zinc/82/13/12/524821312.db2.gz BOJVMEJHNBMPCB-UHFFFAOYSA-N 0 0 433.936 3.724 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)c1 ZINC000035398358 524831691 /nfs/dbraw/zinc/83/16/91/524831691.db2.gz WYJHLKZOHONFRB-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc(C)c(NC(=O)C3=C(C)OCCS3)c2)c1 ZINC000015941596 524834833 /nfs/dbraw/zinc/83/48/33/524834833.db2.gz CWYJNFIZWFKUDD-UHFFFAOYSA-N 0 0 442.537 3.876 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000012760190 524881687 /nfs/dbraw/zinc/88/16/87/524881687.db2.gz GZQBJUXSTPQJNM-CYBMUJFWSA-N 0 0 441.553 3.691 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCn1c(C)nc2ccccc21 ZINC000012535400 524886343 /nfs/dbraw/zinc/88/63/43/524886343.db2.gz AUYBGAULDOYPQY-UHFFFAOYSA-N 0 0 443.429 3.988 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036059414 524897058 /nfs/dbraw/zinc/89/70/58/524897058.db2.gz XUDFUQKWTLRLPV-XZOQPEGZSA-N 0 0 436.552 3.881 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cnc12 ZINC000012921360 524924637 /nfs/dbraw/zinc/92/46/37/524924637.db2.gz BJSXULHTONIWGM-UHFFFAOYSA-N 0 0 433.508 3.795 50 0 IHAARN C[C@H](NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1)c1ccccc1Cl ZINC000022917234 524953160 /nfs/dbraw/zinc/95/31/60/524953160.db2.gz PUEYBDCKSFEVPA-INIZCTEOSA-N 0 0 428.989 3.945 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233093 524991369 /nfs/dbraw/zinc/99/13/69/524991369.db2.gz RNRCFYSHVJZXGZ-MAUKXSAKSA-N 0 0 443.532 3.597 50 0 IHAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCN(C(=O)C4CC4)CC3)nc21 ZINC000015481552 525000189 /nfs/dbraw/zinc/00/01/89/525000189.db2.gz OKLCPFIGLUCKCN-UHFFFAOYSA-N 0 0 448.592 3.692 50 0 IHAARN Cc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000017136140 525014601 /nfs/dbraw/zinc/01/46/01/525014601.db2.gz LGHRTIRSIRNCQM-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN Cc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1C ZINC000021179179 525015775 /nfs/dbraw/zinc/01/57/75/525015775.db2.gz TYWGLVZXMXLNGG-UHFFFAOYSA-N 0 0 443.960 3.633 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1F ZINC000035671862 525020938 /nfs/dbraw/zinc/02/09/38/525020938.db2.gz SHDCCNKJNBCGKL-UHFFFAOYSA-N 0 0 431.489 3.761 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(Br)cc2)cc1 ZINC000012855857 525042382 /nfs/dbraw/zinc/04/23/82/525042382.db2.gz HDNZXOWQDLVJSR-MRXNPFEDSA-N 0 0 432.362 3.675 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000012361408 525045495 /nfs/dbraw/zinc/04/54/95/525045495.db2.gz CFASXMJVKVUNQB-NRFANRHFSA-N 0 0 432.929 3.953 50 0 IHAARN Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022321274 525056636 /nfs/dbraw/zinc/05/66/36/525056636.db2.gz IWWCAQSIEYDKQT-UHFFFAOYSA-N 0 0 448.592 3.583 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2CN(Cc2ccccc2)C1=O ZINC000035873150 525062919 /nfs/dbraw/zinc/06/29/19/525062919.db2.gz SATSIRDADCYNHL-MRXNPFEDSA-N 0 0 430.460 3.977 50 0 IHAARN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccccc1Cl ZINC000012004450 525063532 /nfs/dbraw/zinc/06/35/32/525063532.db2.gz NZDYMTUPQPBANM-UHFFFAOYSA-N 0 0 428.963 3.688 50 0 IHAARN Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885360 525162302 /nfs/dbraw/zinc/16/23/02/525162302.db2.gz MTTXAJDRGHNZES-HXUWFJFHSA-N 0 0 430.508 3.982 50 0 IHAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCC3=CCCCC3)cc2Cl)CC1 ZINC000012453855 525164416 /nfs/dbraw/zinc/16/44/16/525164416.db2.gz PAYMZZCNAPPVDO-UHFFFAOYSA-N 0 0 440.993 3.763 50 0 IHAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012932597 525164933 /nfs/dbraw/zinc/16/49/33/525164933.db2.gz OIBCNRKILKAZMA-GOSISDBHSA-N 0 0 429.567 3.640 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000012923536 525203660 /nfs/dbraw/zinc/20/36/60/525203660.db2.gz MWFUJNZMLMAYHF-AWEZNQCLSA-N 0 0 443.388 3.919 50 0 IHAARN CS(=O)(=O)Nc1cccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1 ZINC000014672026 525223748 /nfs/dbraw/zinc/22/37/48/525223748.db2.gz ZQHKWQMLCWJBDD-UHFFFAOYSA-N 0 0 436.486 3.590 50 0 IHAARN Cc1ccccc1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087816 525240490 /nfs/dbraw/zinc/24/04/90/525240490.db2.gz HRKVWBNQVKOUQN-UHFFFAOYSA-N 0 0 429.567 3.833 50 0 IHAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000012796481 525249235 /nfs/dbraw/zinc/24/92/35/525249235.db2.gz AYGFGNSZNSXOQQ-RDPSFJRHSA-N 0 0 437.584 3.746 50 0 IHAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)c(OC)c1 ZINC000012758720 525251340 /nfs/dbraw/zinc/25/13/40/525251340.db2.gz YWFAALMMMQLGEO-INIZCTEOSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062220 525257128 /nfs/dbraw/zinc/25/71/28/525257128.db2.gz HWKJYNYKKWXPEL-LEWJYISDSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059708 525257375 /nfs/dbraw/zinc/25/73/75/525257375.db2.gz ZOUBCGKHTHGWFN-SFTDATJTSA-N 0 0 444.959 3.985 50 0 IHAARN C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 ZINC000012782707 525258254 /nfs/dbraw/zinc/25/82/54/525258254.db2.gz IUIGUKFIVQFEDY-IAGOWNOFSA-N 0 0 440.515 3.758 50 0 IHAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCc2ccco2)cc1 ZINC000020939090 525279146 /nfs/dbraw/zinc/27/91/46/525279146.db2.gz BREUXNULCLKYOS-XMMPIXPASA-N 0 0 443.503 3.684 50 0 IHAARN Cc1ccccc1OCCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012820756 525282395 /nfs/dbraw/zinc/28/23/95/525282395.db2.gz ZIDMCKGSFWTBTP-UHFFFAOYSA-N 0 0 442.581 3.918 50 0 IHAARN CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2c2nccs2)n1Cc1ccccc1F ZINC000012433266 525283500 /nfs/dbraw/zinc/28/35/00/525283500.db2.gz RAZMCVBZNJNFOU-GOSISDBHSA-N 0 0 434.562 3.658 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000035538731 525305629 /nfs/dbraw/zinc/30/56/29/525305629.db2.gz RHGGHSDFPGMOEB-FNZWTVRRSA-N 0 0 449.595 3.730 50 0 IHAARN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000012762054 525354550 /nfs/dbraw/zinc/35/45/50/525354550.db2.gz YCSAWTBIBHQETI-FQEVSTJZSA-N 0 0 431.492 3.838 50 0 IHAARN Cc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000041078210 525367769 /nfs/dbraw/zinc/36/77/69/525367769.db2.gz YZUCRRBCUAHJMT-UHFFFAOYSA-N 0 0 426.885 3.744 50 0 IHAARN Cc1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(C)c1 ZINC000012770736 525381061 /nfs/dbraw/zinc/38/10/61/525381061.db2.gz CXHGKRDZFXAIHD-UHFFFAOYSA-N 0 0 440.931 3.730 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)c(C)s1 ZINC000023368092 525395193 /nfs/dbraw/zinc/39/51/93/525395193.db2.gz WGUIIMPVXFKGTN-MRXNPFEDSA-N 0 0 431.583 3.677 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)c(C)s1 ZINC000012458280 525401803 /nfs/dbraw/zinc/40/18/03/525401803.db2.gz RTSMIQUNUAKKLK-UHFFFAOYSA-N 0 0 427.551 3.759 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)c(C)c1C(=O)OC(C)C ZINC000035484112 525410131 /nfs/dbraw/zinc/41/01/31/525410131.db2.gz QZMABTTZEUCWOA-UHFFFAOYSA-N 0 0 439.556 3.755 50 0 IHAARN Cc1ccccc1[C@]1(CC(=O)N(C)C2CCCCC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247273 525448805 /nfs/dbraw/zinc/44/88/05/525448805.db2.gz GJQOPQURBFEEOL-SANMLTNESA-N 0 0 433.552 3.768 50 0 IHAARN Cc1nc2[nH]c(NCc3ccccc3)nn2c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000021803937 525450874 /nfs/dbraw/zinc/45/08/74/525450874.db2.gz DVWRTGZPXOSLOO-UHFFFAOYSA-N 0 0 436.903 3.563 50 0 IHAARN Cc1cccn2c(CNCc3cnn(-c4cccc(F)c4)c3)c(C(=O)N3CCCCC3)nc12 ZINC000012303166 525467097 /nfs/dbraw/zinc/46/70/97/525467097.db2.gz JEYGRZKOPGQODS-UHFFFAOYSA-N 0 0 446.530 3.883 50 0 IHAARN COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)Nc4cc(C)ccc4OC)CC3)c2c1 ZINC000021888628 525486134 /nfs/dbraw/zinc/48/61/34/525486134.db2.gz DMPOQVYYWHWXLM-UHFFFAOYSA-N 0 0 436.512 3.526 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000012822303 525495316 /nfs/dbraw/zinc/49/53/16/525495316.db2.gz IRHOMPIDEMMHSO-UHFFFAOYSA-N 0 0 449.529 3.672 50 0 IHAARN CC(=O)c1ccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)cc1 ZINC000009716518 534861298 /nfs/dbraw/zinc/86/12/98/534861298.db2.gz BUAAFAFVQODPMF-UHFFFAOYSA-N 0 0 432.476 3.813 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccsc3)CC2)cc1 ZINC000012845875 525518484 /nfs/dbraw/zinc/51/84/84/525518484.db2.gz VSFQQMLMBTXDGW-UHFFFAOYSA-N 0 0 438.640 3.507 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000012729123 525522220 /nfs/dbraw/zinc/52/22/20/525522220.db2.gz MPRNXKSKZBLOSP-UHFFFAOYSA-N 0 0 426.460 3.597 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000021899947 525526339 /nfs/dbraw/zinc/52/63/39/525526339.db2.gz IUMXSXITUXCGOX-WOJBJXKFSA-N 0 0 430.595 3.892 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012528767 525527514 /nfs/dbraw/zinc/52/75/14/525527514.db2.gz DRVMPLKWLVCKEJ-JXMROGBWSA-N 0 0 428.510 3.550 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000021899949 525528873 /nfs/dbraw/zinc/52/88/73/525528873.db2.gz IUMXSXITUXCGOX-UXHICEINSA-N 0 0 430.595 3.892 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)C2)cc1C ZINC000021939998 525532031 /nfs/dbraw/zinc/53/20/31/525532031.db2.gz BWYOQKHAGGMCJO-QGZVFWFLSA-N 0 0 441.509 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc(C(C)(C)C)cs3)C2)s1 ZINC000022691790 525534963 /nfs/dbraw/zinc/53/49/63/525534963.db2.gz SKSUSEKHIAJHHD-ZDUSSCGKSA-N 0 0 427.617 3.850 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000015013618 525547911 /nfs/dbraw/zinc/54/79/11/525547911.db2.gz JYGULKUWYZXIFP-UHFFFAOYSA-N 0 0 430.309 3.542 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000033312941 525551993 /nfs/dbraw/zinc/55/19/93/525551993.db2.gz HNXHQJAZPUOKQU-INIZCTEOSA-N 0 0 427.448 3.599 50 0 IHAARN C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000014633364 525573600 /nfs/dbraw/zinc/57/36/00/525573600.db2.gz VEODLXSUZNOANK-LLVKDONJSA-N 0 0 430.839 3.979 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(Cl)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535239 525604790 /nfs/dbraw/zinc/60/47/90/525604790.db2.gz QFXRZMQLBSXKOM-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccc3c(c2)OCO3)C1=O ZINC000035883493 525610375 /nfs/dbraw/zinc/61/03/75/525610375.db2.gz OXIJKGMPLCKPBC-KRWDZBQOSA-N 0 0 444.487 3.906 50 0 IHAARN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000012786592 525648020 /nfs/dbraw/zinc/64/80/20/525648020.db2.gz SEUYPDVFVZDRJC-IAGOWNOFSA-N 0 0 434.583 3.524 50 0 IHAARN Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2cc1C ZINC000033005403 525669581 /nfs/dbraw/zinc/66/95/81/525669581.db2.gz IQGIOLWIQFJLBS-UHFFFAOYSA-N 0 0 438.959 3.714 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3C)cc(=O)n2o1 ZINC000041089627 525672606 /nfs/dbraw/zinc/67/26/06/525672606.db2.gz CVXMBOWKZGFIBY-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN COc1ccc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000016960228 525675114 /nfs/dbraw/zinc/67/51/14/525675114.db2.gz KBPSOOMHEAUVEQ-AWEZNQCLSA-N 0 0 437.568 3.548 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(F)c4)s3)cc(=O)n2o1 ZINC000041089670 525675705 /nfs/dbraw/zinc/67/57/05/525675705.db2.gz ZLZGRVSVXJZIIA-UHFFFAOYSA-N 0 0 446.489 3.831 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)c1 ZINC000036002396 525703423 /nfs/dbraw/zinc/70/34/23/525703423.db2.gz IEEGYVPXJUSXSV-QFIPXVFZSA-N 0 0 433.508 3.704 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(C)c2)c(C)n3C)c1 ZINC000035448606 525711185 /nfs/dbraw/zinc/71/11/85/525711185.db2.gz ZVTWQOGATVKKBO-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000011917519 525716636 /nfs/dbraw/zinc/71/66/36/525716636.db2.gz ZWTLBKHYZGVUPO-IBGZPJMESA-N 0 0 428.485 3.619 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021786454 525717210 /nfs/dbraw/zinc/71/72/10/525717210.db2.gz UTYXFSGCSWKEMB-HXUWFJFHSA-N 0 0 442.512 3.927 50 0 IHAARN COc1cccc(-c2nn(C)c3sc(C(=O)NC[C@H]4COc5ccccc5O4)cc23)c1 ZINC000020233403 525730551 /nfs/dbraw/zinc/73/05/51/525730551.db2.gz MXTNWILUZPBXDL-INIZCTEOSA-N 0 0 435.505 3.880 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1C ZINC000041254974 525745327 /nfs/dbraw/zinc/74/53/27/525745327.db2.gz XZGRHYYPVOPBLB-UHFFFAOYSA-N 0 0 440.341 3.996 50 0 IHAARN Cc1ccc(-c2ccc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000035398540 525752344 /nfs/dbraw/zinc/75/23/44/525752344.db2.gz XEYNDNXRMSIFLM-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCN3CCOCC3)o2)cc1 ZINC000012419182 525818081 /nfs/dbraw/zinc/81/80/81/525818081.db2.gz YPCQWHGIKYHROM-UHFFFAOYSA-N 0 0 441.553 3.535 50 0 IHAARN Cc1ccsc1CN(C(=O)C1=C(c2ccccc2)SCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000020728582 525833915 /nfs/dbraw/zinc/83/39/15/525833915.db2.gz IWGFWEMJILFWJB-QGZVFWFLSA-N 0 0 449.619 3.704 50 0 IHAARN Cc1c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000012634604 525836152 /nfs/dbraw/zinc/83/61/52/525836152.db2.gz GCPKJHTXQHDTDV-UHFFFAOYSA-N 0 0 448.306 3.516 50 0 IHAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CN1c2ccccc2OCCC1=O ZINC000012866169 525862662 /nfs/dbraw/zinc/86/26/62/525862662.db2.gz DLPQBSUUVSZPFT-UHFFFAOYSA-N 0 0 445.523 3.734 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N4CCCC[C@@H]4CO)c(C)c32)c1 ZINC000012210904 525903541 /nfs/dbraw/zinc/90/35/41/525903541.db2.gz UHDYMVULECXRHB-QGZVFWFLSA-N 0 0 440.569 3.650 50 0 IHAARN COc1cccc(CN(C)C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1OC ZINC000012792259 525908157 /nfs/dbraw/zinc/90/81/57/525908157.db2.gz UMCQVEAOLGBIPO-FQEVSTJZSA-N 0 0 440.540 3.661 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccccc1F)nc2C ZINC000020563680 525935552 /nfs/dbraw/zinc/93/55/52/525935552.db2.gz CMXLDOZVYHXCAX-KRWDZBQOSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cc2=O)s1 ZINC000021633383 525942151 /nfs/dbraw/zinc/94/21/51/525942151.db2.gz MYQTYNBGEOZXTK-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN CSc1ccc(-c2nc(CSCC(=O)NCCCN3CCCC3=O)c(C)o2)cc1 ZINC000015944508 525947095 /nfs/dbraw/zinc/94/70/95/525947095.db2.gz XGVIPYXPGKKIQP-UHFFFAOYSA-N 0 0 433.599 3.734 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000021650269 525955297 /nfs/dbraw/zinc/95/52/97/525955297.db2.gz FNATYBNAOOLYQF-INIZCTEOSA-N 0 0 435.455 3.938 50 0 IHAARN Cc1c2cnn(CC(=O)N3CCc4ccccc4C3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417414 525993613 /nfs/dbraw/zinc/99/36/13/525993613.db2.gz SIELJNJDFBVQNB-UHFFFAOYSA-N 0 0 444.510 3.587 50 0 IHAARN CSc1ccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000021021551 525995399 /nfs/dbraw/zinc/99/53/99/525995399.db2.gz OHFJYDBKTDGWLH-UHFFFAOYSA-N 0 0 440.956 3.698 50 0 IHAARN CSc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000012555118 526028349 /nfs/dbraw/zinc/02/83/49/526028349.db2.gz RMDHJXODPHAYKV-OAQYLSRUSA-N 0 0 425.554 3.627 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000020603689 526088525 /nfs/dbraw/zinc/08/85/25/526088525.db2.gz CGOSQUXZMANTIY-UHFFFAOYSA-N 0 0 448.972 3.610 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(CC(C)(C)C)s4)CC3=O)c2c1 ZINC000021785359 526111980 /nfs/dbraw/zinc/11/19/80/526111980.db2.gz NLPZPRZGAHPSHZ-INIZCTEOSA-N 0 0 439.585 3.946 50 0 IHAARN Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3ccccc3C)ncc1S(=O)(=O)N2C ZINC000033039669 526134128 /nfs/dbraw/zinc/13/41/28/526134128.db2.gz CKHZAFSMOWDLSK-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN Cc1cc(Br)c(NC(=O)COc2nnc3ccccn32)c(Br)c1 ZINC000012766777 526153202 /nfs/dbraw/zinc/15/32/02/526153202.db2.gz CSMRYOMEIFFAEU-UHFFFAOYSA-N 0 0 440.095 3.580 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 ZINC000012627537 526170878 /nfs/dbraw/zinc/17/08/78/526170878.db2.gz FZSALZDSQYHGCP-UHFFFAOYSA-N 0 0 444.944 3.724 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000024592304 526174501 /nfs/dbraw/zinc/17/45/01/526174501.db2.gz RONHYFZCIWCOJE-UHFFFAOYSA-N 0 0 446.429 3.919 50 0 IHAARN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022915210 526184412 /nfs/dbraw/zinc/18/44/12/526184412.db2.gz DDHKXEVJQZNJFO-INIZCTEOSA-N 0 0 425.920 3.707 50 0 IHAARN COc1cccc(OC[C@@H]2CCCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)C2)c1 ZINC000012707694 526234335 /nfs/dbraw/zinc/23/43/35/526234335.db2.gz NDAARTHTKACQTQ-GOSISDBHSA-N 0 0 440.931 3.920 50 0 IHAARN C[C@H](CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995574 526236038 /nfs/dbraw/zinc/23/60/38/526236038.db2.gz RXDHJZRLNGIGAL-QGZVFWFLSA-N 0 0 446.613 3.767 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc12 ZINC000012261119 526271870 /nfs/dbraw/zinc/27/18/70/526271870.db2.gz WPZQKOGFRKACER-UHFFFAOYSA-N 0 0 432.571 3.854 50 0 IHAARN O=C(NCCCn1ncc2ccccc21)c1cc(COc2cccc3cccnc32)on1 ZINC000012430211 526294393 /nfs/dbraw/zinc/29/43/93/526294393.db2.gz VATHZBQXJPMHNB-UHFFFAOYSA-N 0 0 427.464 3.972 50 0 IHAARN O=C(C1CCCC1)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006233 526295814 /nfs/dbraw/zinc/29/58/14/526295814.db2.gz PLUUVCYTVARHHG-UHFFFAOYSA-N 0 0 430.556 3.922 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCc1nnnn1-c1ccccc1 ZINC000009812372 526297462 /nfs/dbraw/zinc/29/74/62/526297462.db2.gz ROCGKTKZALISHA-UHFFFAOYSA-N 0 0 443.294 3.879 50 0 IHAARN Cc1nn(Cc2noc(C(=O)NCC34CC5CC(CC(C5)C3)C4)n2)c(C)c1Br ZINC000012372207 526300432 /nfs/dbraw/zinc/30/04/32/526300432.db2.gz AIELJRPQAGWXJA-UHFFFAOYSA-N 0 0 448.365 3.640 50 0 IHAARN O=C(NCCN1CCOCC1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000012376010 526320885 /nfs/dbraw/zinc/32/08/85/526320885.db2.gz JPJVRAKEQHDKCV-UHFFFAOYSA-N 0 0 443.547 3.519 50 0 IHAARN Cc1nnc(COC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)o1 ZINC000023470027 526346124 /nfs/dbraw/zinc/34/61/24/526346124.db2.gz UHIXTXUJOHZVRU-UHFFFAOYSA-N 0 0 441.553 3.912 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000021332439 526376533 /nfs/dbraw/zinc/37/65/33/526376533.db2.gz STBGYCPUDNYFCU-UHFFFAOYSA-N 0 0 438.871 3.850 50 0 IHAARN O=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(-n2cccn2)cc1 ZINC000012749510 526385546 /nfs/dbraw/zinc/38/55/46/526385546.db2.gz YPAQVKYEKKKXOF-UHFFFAOYSA-N 0 0 426.314 3.957 50 0 IHAARN O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012745484 526406966 /nfs/dbraw/zinc/40/69/66/526406966.db2.gz NPFPXDMXMYIHCO-UHFFFAOYSA-N 0 0 443.407 3.643 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012789058 526431417 /nfs/dbraw/zinc/43/14/17/526431417.db2.gz DMPIDAZCWYSIOX-JQZCCEMDSA-N 0 0 435.524 3.987 50 0 IHAARN Cc1noc(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)n1 ZINC000012911976 526449843 /nfs/dbraw/zinc/44/98/43/526449843.db2.gz PKIDQSKOXRRSFF-UHFFFAOYSA-N 0 0 440.525 3.780 50 0 IHAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000021146568 526459965 /nfs/dbraw/zinc/45/99/65/526459965.db2.gz ISHFMWIBXXSNIC-CMDGGOBGSA-N 0 0 447.557 3.550 50 0 IHAARN O=C(NCCn1ncc2c1ncnc2N1CCCCCC1)C1(c2cccs2)CCCC1 ZINC000035590535 526477651 /nfs/dbraw/zinc/47/76/51/526477651.db2.gz MKDPWWVJGYDTGK-UHFFFAOYSA-N 0 0 438.601 3.896 50 0 IHAARN O=C(CCNC(=O)c1ccco1)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012749146 526507560 /nfs/dbraw/zinc/50/75/60/526507560.db2.gz APFOUPQTQCQMND-UHFFFAOYSA-N 0 0 439.415 3.984 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)o2)cs1 ZINC000012808592 526570705 /nfs/dbraw/zinc/57/07/05/526570705.db2.gz QIPOKAFIXWANGE-UHFFFAOYSA-N 0 0 433.555 3.509 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)Cc4ccccc4Br)CC3)cc2)no1 ZINC000035481832 526575803 /nfs/dbraw/zinc/57/58/03/526575803.db2.gz PKJJJSYLGKTPEN-UHFFFAOYSA-N 0 0 441.329 3.699 50 0 IHAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N[C@H](CCn1ccnc1)c1ccccc1 ZINC000012099893 526575892 /nfs/dbraw/zinc/57/58/92/526575892.db2.gz VWTYABMSCRKZEZ-ZJSXRUAMSA-N 0 0 436.581 3.864 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1 ZINC000035529833 526576041 /nfs/dbraw/zinc/57/60/41/526576041.db2.gz OWQKAZCJHZMNCG-HNNXBMFYSA-N 0 0 426.904 3.815 50 0 IHAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012140180 526582487 /nfs/dbraw/zinc/58/24/87/526582487.db2.gz MBJCBBDEVCVLEN-UHFFFAOYSA-N 0 0 430.551 3.719 50 0 IHAARN O=C(NC[C@H]1CCC2(CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)O1)C1CCCCC1 ZINC000012184640 526587447 /nfs/dbraw/zinc/58/74/47/526587447.db2.gz NQRQALAYCFQWSX-KNQAVFIVSA-N 0 0 438.568 3.593 50 0 IHAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCc2[nH]c3ccccc3c2C1 ZINC000012703069 526604762 /nfs/dbraw/zinc/60/47/62/526604762.db2.gz FMCZUOIAENAXSE-UHFFFAOYSA-N 0 0 440.463 3.514 50 0 IHAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012697374 526606110 /nfs/dbraw/zinc/60/61/10/526606110.db2.gz ZPSBYZGDRXZSOK-UHFFFAOYSA-N 0 0 427.888 3.622 50 0 IHAARN Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc3ccccc3c2)[nH]c(=O)c1C ZINC000012127139 526626376 /nfs/dbraw/zinc/62/63/76/526626376.db2.gz LKBAZUDEYSZKQY-UHFFFAOYSA-N 0 0 429.480 3.621 50 0 IHAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccc(OC(F)(F)F)cc1 ZINC000012928367 526655198 /nfs/dbraw/zinc/65/51/98/526655198.db2.gz CCPCFHUGDDLASH-UHFFFAOYSA-N 0 0 437.443 3.621 50 0 IHAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCCC1)NCCc1ccc(Cl)cc1 ZINC000033308781 526668980 /nfs/dbraw/zinc/66/89/80/526668980.db2.gz MRAWIJRWPCWDLK-UHFFFAOYSA-N 0 0 444.988 3.851 50 0 IHAARN O=C(CCn1cnc2cc(-c3noc(COc4ccc(F)cc4)n3)ccc21)N1CCCC1 ZINC000035460223 526681901 /nfs/dbraw/zinc/68/19/01/526681901.db2.gz OLYOIVKFIVBTCP-UHFFFAOYSA-N 0 0 435.459 3.817 50 0 IHAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCc2ccccc21 ZINC000012568762 526714345 /nfs/dbraw/zinc/71/43/45/526714345.db2.gz YVOYSUKCQQFJLS-HHHXNRCGSA-N 0 0 439.515 3.656 50 0 IHAARN O=C(c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020643837 526730576 /nfs/dbraw/zinc/73/05/76/526730576.db2.gz GRIGDOGQYPWTIO-UHFFFAOYSA-N 0 0 440.613 3.891 50 0 IHAARN O=C(NCc1ccccc1)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000032949159 526733501 /nfs/dbraw/zinc/73/35/01/526733501.db2.gz YIPHNRQOFKTNJK-UHFFFAOYSA-N 0 0 432.476 3.797 50 0 biogenic IHAARN O=C(NCc1ccccc1F)[C@@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012748908 526751525 /nfs/dbraw/zinc/75/15/25/526751525.db2.gz FFIUCHCCYUAVLB-PXNSSMCTSA-N 0 0 449.345 3.795 50 0 IHAARN O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000012850196 526764477 /nfs/dbraw/zinc/76/44/77/526764477.db2.gz WOYFGHRKLAGMMM-QHCPKHFHSA-N 0 0 434.565 3.803 50 0 IHAARN O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000022788805 526771830 /nfs/dbraw/zinc/77/18/30/526771830.db2.gz UHSZBECLBWKVMM-UHFFFAOYSA-N 0 0 443.547 3.553 50 0 IHAARN O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000022584321 526774697 /nfs/dbraw/zinc/77/46/97/526774697.db2.gz XQXDMHLOUHQUGF-UHFFFAOYSA-N 0 0 442.519 3.571 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cc1ccccc1 ZINC000021847629 526775548 /nfs/dbraw/zinc/77/55/48/526775548.db2.gz OTPSTSGMNHGMMQ-UHFFFAOYSA-N 0 0 443.547 3.762 50 0 IHAARN O=C(CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)NCc1ccc(F)cc1 ZINC000022630160 526777519 /nfs/dbraw/zinc/77/75/19/526777519.db2.gz VCSNMVPAAZQPBR-UHFFFAOYSA-N 0 0 442.535 3.522 50 0 IHAARN O=C(CN1CCOCC1)NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000020352295 526789378 /nfs/dbraw/zinc/78/93/78/526789378.db2.gz BQGURCIPSIXOMT-UHFFFAOYSA-N 0 0 435.566 3.814 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000042382478 526800873 /nfs/dbraw/zinc/80/08/73/526800873.db2.gz MHLPWUCOKUFLRA-IRXDYDNUSA-N 0 0 446.425 3.522 50 0 IHAARN O=C(CN1c2ccccc2[C@]2(SCC(=O)N2c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000020574066 526829118 /nfs/dbraw/zinc/82/91/18/526829118.db2.gz CRFRYJRPPHSXPU-DEOSSOPVSA-N 0 0 447.491 3.744 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000001868069 526853202 /nfs/dbraw/zinc/85/32/02/526853202.db2.gz ATHAVLQVBYUBLP-UHFFFAOYSA-N 0 0 445.096 3.912 50 0 IHAARN NC(=O)C1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012419310 526859379 /nfs/dbraw/zinc/85/93/79/526859379.db2.gz GQBANWQNFWTTNK-UHFFFAOYSA-N 0 0 445.928 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O=C(CSc1ncnc2c1sc1cccc(F)c12)N1CCN(c2ccccn2)CC1 ZINC000021153367 527073074 /nfs/dbraw/zinc/07/30/74/527073074.db2.gz BMPWWAFSFOUITP-UHFFFAOYSA-N 0 0 439.541 3.820 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000035848296 527081053 /nfs/dbraw/zinc/08/10/53/527081053.db2.gz ORSHQLVBVNQVJV-UHFFFAOYSA-N 0 0 439.324 3.785 50 0 IHAARN Cn1c2ccc(S(=O)(=O)Oc3ccc4c(c3)occ(-c3ccccc3)c4=O)cc2oc1=O ZINC000012852621 527105350 /nfs/dbraw/zinc/10/53/50/527105350.db2.gz OJZQAYAYVBCTBF-UHFFFAOYSA-N 0 0 449.440 3.673 50 0 IHAARN Cc1nc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 ZINC000089721633 527117482 /nfs/dbraw/zinc/11/74/82/527117482.db2.gz RWOAFUWTAXCTIQ-WMZHIEFXSA-N 0 0 428.536 3.949 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2c(s1)CCCC2 ZINC000012564070 527130135 /nfs/dbraw/zinc/13/01/35/527130135.db2.gz YSWPLEPAAGQXAS-UHFFFAOYSA-N 0 0 440.974 3.554 50 0 IHAARN Cn1cc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c2ccccc21 ZINC000020732547 527159655 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0 0 427.311 3.986 50 0 IHAARN O=C(NC1CCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000020889308 527511132 /nfs/dbraw/zinc/51/11/32/527511132.db2.gz ZRUUJFFVPRNXMG-UHFFFAOYSA-N 0 0 449.370 3.873 50 0 IHAARN O=C(NC1CCCCC1)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000035458030 527516500 /nfs/dbraw/zinc/51/65/00/527516500.db2.gz XQYQQHXGPDURTL-QHCPKHFHSA-N 0 0 431.536 3.901 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000016101859 527539913 /nfs/dbraw/zinc/53/99/13/527539913.db2.gz DEMIPRIHNDHOIA-UHFFFAOYSA-N 0 0 441.491 3.604 50 0 IHAARN Nc1nc(CN2CCC(C(=O)Nc3ccccc3O)CC2)nc2sc3c(c21)CCCC3 ZINC000012812495 527551575 /nfs/dbraw/zinc/55/15/75/527551575.db2.gz PSAAOYYASHTZJL-UHFFFAOYSA-N 0 0 437.569 3.709 50 0 IHAARN Nc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)s1 ZINC000011843168 527577388 /nfs/dbraw/zinc/57/73/88/527577388.db2.gz WBNQXNBVQIPQJE-HNNXBMFYSA-N 0 0 438.578 3.586 50 0 IHAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012594233 527584352 /nfs/dbraw/zinc/58/43/52/527584352.db2.gz KBCMKQNWZHQYJH-HSZRJFAPSA-N 0 0 434.580 3.722 50 0 IHAARN O=C(/C=C/c1nc2ccccc2s1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012584511 527650917 /nfs/dbraw/zinc/65/09/17/527650917.db2.gz TWPBOCYYGYRRGC-BQYQJAHWSA-N 0 0 435.505 3.916 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCc3nc(N)c4ccccc4n3)c12 ZINC000012834391 527682650 /nfs/dbraw/zinc/68/26/50/527682650.db2.gz NWMHFRQDVHYBRG-UHFFFAOYSA-N 0 0 430.493 3.888 50 0 IHAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)c12 ZINC000012734852 527683318 /nfs/dbraw/zinc/68/33/18/527683318.db2.gz PVVSDFSNXLQBTF-UHFFFAOYSA-N 0 0 429.528 3.830 50 0 IHAARN Cc1nn(C)c2sc(C(=O)OCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)cc12 ZINC000022887392 527688478 /nfs/dbraw/zinc/68/84/78/527688478.db2.gz HWNVLBOFPCRPGD-UHFFFAOYSA-N 0 0 433.555 3.707 50 0 IHAARN CC(C)(CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)N1CCc2ccccc2C1 ZINC000009846828 534983712 /nfs/dbraw/zinc/98/37/12/534983712.db2.gz 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CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1cccs1 ZINC000003429528 535994914 /nfs/dbraw/zinc/99/49/14/535994914.db2.gz XIKGDBVKVZUHMM-UHFFFAOYSA-N 0 0 429.571 3.594 50 0 IHAARN COc1ccc(/C=C(\C(=O)N2CCN(c3cccc(C)c3C)CC2)n2ccccc2=O)cc1 ZINC000009849755 536570967 /nfs/dbraw/zinc/57/09/67/536570967.db2.gz YEVLRLVCOYFHRW-NCELDCMTSA-N 0 0 443.547 3.821 50 0 IHAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NC(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756703 536659761 /nfs/dbraw/zinc/65/97/61/536659761.db2.gz FISIZJDMIWJXDJ-AUSIDOKSSA-N 0 0 426.513 3.721 50 0 IHAARN COc1cc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000008892888 536725655 /nfs/dbraw/zinc/72/56/55/536725655.db2.gz IXIHWVCVQDLYTK-UHFFFAOYSA-N 0 0 438.446 3.623 50 0 IHAARN COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)c1 ZINC000013665327 536824194 /nfs/dbraw/zinc/82/41/94/536824194.db2.gz PJYMWRFSVJZGDT-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1ccc(CNC(=O)c2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000003412449 536890121 /nfs/dbraw/zinc/89/01/21/536890121.db2.gz MZKDHJRSLXROCS-UHFFFAOYSA-N 0 0 447.510 3.727 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000009699530 537086476 /nfs/dbraw/zinc/08/64/76/537086476.db2.gz GOTLDTBIGQNZIQ-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000000662099 555527068 /nfs/dbraw/zinc/52/70/68/555527068.db2.gz IEWARMMOBNYPRJ-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cnn1C ZINC000000674146 555532744 /nfs/dbraw/zinc/53/27/44/555532744.db2.gz KKBHQYXTBAZPTB-FUHWJXTLSA-N 0 0 432.450 3.824 50 0 IHAARN CCOC(=O)c1c(NC(=S)NC(=O)Cc2ccc(OC)cc2)sc2c1CCCC2 ZINC000000675729 555534382 /nfs/dbraw/zinc/53/43/82/555534382.db2.gz ZPZVWMUBAHVDGC-UHFFFAOYSA-N 0 0 432.567 3.868 50 0 IHAARN Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C ZINC000000687446 555540802 /nfs/dbraw/zinc/54/08/02/555540802.db2.gz OQFYCWMBJZLUME-UHFFFAOYSA-N 0 0 437.569 3.908 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1Cl ZINC000000821389 555563923 /nfs/dbraw/zinc/56/39/23/555563923.db2.gz FGTWPSHTHPUDHN-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 ZINC000000862526 555572943 /nfs/dbraw/zinc/57/29/43/555572943.db2.gz XBUIVTIRXGUQEY-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN COc1ccc(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000000892994 555579992 /nfs/dbraw/zinc/57/99/92/555579992.db2.gz OFNNECYTNMYXAW-UHFFFAOYSA-N 0 0 444.531 3.820 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccc(OC)c1 ZINC000009562171 555580542 /nfs/dbraw/zinc/58/05/42/555580542.db2.gz ZLIRWIRTKAQYTD-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000000920475 555584329 /nfs/dbraw/zinc/58/43/29/555584329.db2.gz GBSXCAWSVKRSRS-OAHLLOKOSA-N 0 0 441.475 3.948 50 0 IHAARN CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1 ZINC000000947442 555588232 /nfs/dbraw/zinc/58/82/32/555588232.db2.gz HUJKODRLNVCGRG-CUXKMMBLSA-N 0 0 429.494 3.788 50 0 IHAARN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Br ZINC000000972715 555591820 /nfs/dbraw/zinc/59/18/20/555591820.db2.gz ZALACTCHGZKVHN-UHFFFAOYSA-N 0 0 436.258 3.673 50 0 IHAARN COc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000979698 555593153 /nfs/dbraw/zinc/59/31/53/555593153.db2.gz SYYIHBHJPWINCB-UHFFFAOYSA-N 0 0 430.570 3.643 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000000982740 555593884 /nfs/dbraw/zinc/59/38/84/555593884.db2.gz HPPWIPYYGDPPSV-UHFFFAOYSA-N 0 0 441.484 3.618 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000986429 555594985 /nfs/dbraw/zinc/59/49/85/555594985.db2.gz GLBGAYRDLYGRIY-UHFFFAOYSA-N 0 0 430.979 3.952 50 0 IHAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 ZINC000001003872 555600798 /nfs/dbraw/zinc/60/07/98/555600798.db2.gz DYHLHHSTTAVBGH-UHFFFAOYSA-N 0 0 439.562 3.947 50 0 aggregator IHAARN CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2nc(Nc3ccccc3)cc(=O)n12 ZINC000001016755 555602863 /nfs/dbraw/zinc/60/28/63/555602863.db2.gz XBOXVZJEYNFLFH-UHFFFAOYSA-N 0 0 443.385 3.819 50 0 IHAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000001020436 555603671 /nfs/dbraw/zinc/60/36/71/555603671.db2.gz PVCKEFCVRDEMNU-GOSISDBHSA-N 0 0 435.461 3.807 50 0 IHAARN COc1cc2nc(NC(=O)c3ccc(C(F)(F)F)nc3C)sc(=O)c2cc1OC ZINC000001029677 555605468 /nfs/dbraw/zinc/60/54/68/555605468.db2.gz UIHKULIUDLSDLG-UHFFFAOYSA-N 0 0 425.388 3.648 50 0 IHAARN COc1ccc(Br)c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F ZINC000001031268 555605960 /nfs/dbraw/zinc/60/59/60/555605960.db2.gz BYVGBCDXVPMRBC-UHFFFAOYSA-N 0 0 433.180 3.846 50 0 IHAARN COc1cc([C@@H]2NC(=O)c3c(F)cccc3N2)c(Br)c(Br)c1O ZINC000001038010 555608675 /nfs/dbraw/zinc/60/86/75/555608675.db2.gz SIVYPHHJSTXHHO-AWEZNQCLSA-N 0 0 446.070 3.919 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001050427 555612955 /nfs/dbraw/zinc/61/29/55/555612955.db2.gz VTXQDCXYPRVSQC-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1I ZINC000001051345 555613369 /nfs/dbraw/zinc/61/33/69/555613369.db2.gz LFELKYGIOMRUMU-UHFFFAOYSA-N 0 0 441.649 3.893 50 0 IHAARN NC(=O)C1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000001052941 555613955 /nfs/dbraw/zinc/61/39/55/555613955.db2.gz DMTXXPPHOXRRFD-UHFFFAOYSA-N 0 0 445.928 3.530 50 0 IHAARN CN1C(=O)c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2C1=O ZINC000001064596 555617514 /nfs/dbraw/zinc/61/75/14/555617514.db2.gz AODVKAWRGRUASO-UHFFFAOYSA-N 0 0 445.500 3.618 50 0 IHAARN C[C@@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000001068209 555619381 /nfs/dbraw/zinc/61/93/81/555619381.db2.gz COUKLZMONLHDCX-ZDUSSCGKSA-N 0 0 442.610 3.964 50 0 IHAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC5(CC4)OCCO5)c3n2)cc1 ZINC000001069068 555620009 /nfs/dbraw/zinc/62/00/09/555620009.db2.gz WIXWIQYEKYWTFS-UHFFFAOYSA-N 0 0 428.439 3.621 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000001070797 555621200 /nfs/dbraw/zinc/62/12/00/555621200.db2.gz QITYXUJWOGEUQT-FQEVSTJZSA-N 0 0 437.496 3.604 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001072781 555621792 /nfs/dbraw/zinc/62/17/92/555621792.db2.gz SMCNHZWJUQFLGI-CYBMUJFWSA-N 0 0 441.322 3.628 50 0 IHAARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O ZINC000001072281 555621841 /nfs/dbraw/zinc/62/18/41/555621841.db2.gz SXYIICSESDMKEX-AWEZNQCLSA-N 0 0 434.277 3.845 50 0 IHAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1C ZINC000001077497 555625010 /nfs/dbraw/zinc/62/50/10/555625010.db2.gz KXXLKJFDSXTIRU-AWEZNQCLSA-N 0 0 425.348 3.859 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000001108927 555630469 /nfs/dbraw/zinc/63/04/69/555630469.db2.gz YDVDBTJYDGERFY-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000001116762 555634859 /nfs/dbraw/zinc/63/48/59/555634859.db2.gz BUOQAAQXFHZEQG-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)c1 ZINC000001117397 555635275 /nfs/dbraw/zinc/63/52/75/555635275.db2.gz RQBBHWVGDZFKNL-UHFFFAOYSA-N 0 0 441.294 3.520 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000001119722 555636939 /nfs/dbraw/zinc/63/69/39/555636939.db2.gz JYIUQBYLMBQABQ-UHFFFAOYSA-N 0 0 426.494 3.822 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000001120014 555636996 /nfs/dbraw/zinc/63/69/96/555636996.db2.gz PQLOICLAEVQYPG-GOSISDBHSA-N 0 0 447.354 3.994 50 0 IHAARN COC(=O)c1sc2cc(NC(=S)N3CCC4(CC3)OCCO4)ccc2c1Cl ZINC000001121875 555638495 /nfs/dbraw/zinc/63/84/95/555638495.db2.gz WZEKQMCLIRCYQP-UHFFFAOYSA-N 0 0 426.947 3.877 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001127181 555641617 /nfs/dbraw/zinc/64/16/17/555641617.db2.gz LGRORFUOMVHJBO-UHFFFAOYSA-N 0 0 438.505 3.859 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000001127834 555642260 /nfs/dbraw/zinc/64/22/60/555642260.db2.gz TUXBOVDDGQRUBP-UHFFFAOYSA-N 0 0 444.896 3.903 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000001136733 555647141 /nfs/dbraw/zinc/64/71/41/555647141.db2.gz WINGBURZSBPKEY-UHFFFAOYSA-N 0 0 447.965 3.920 50 0 IHAARN COc1ccc(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1OC ZINC000001144472 555652315 /nfs/dbraw/zinc/65/23/15/555652315.db2.gz BPIUDBJWDSIIFK-UHFFFAOYSA-N 0 0 434.242 3.834 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000001145542 555652920 /nfs/dbraw/zinc/65/29/20/555652920.db2.gz TYNNLXZKHVFYKJ-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 ZINC000001145541 555652959 /nfs/dbraw/zinc/65/29/59/555652959.db2.gz BDWKCOGVWYKYPG-CQSZACIVSA-N 0 0 443.960 3.999 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001146875 555654164 /nfs/dbraw/zinc/65/41/64/555654164.db2.gz VBNFIAXQUIPXFN-UHFFFAOYSA-N 0 0 437.521 3.787 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001147823 555654308 /nfs/dbraw/zinc/65/43/08/555654308.db2.gz WIJJFFFODLVYCY-UHFFFAOYSA-N 0 0 441.484 3.618 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2cccc(Cl)c2)cc1 ZINC000001150031 555655852 /nfs/dbraw/zinc/65/58/52/555655852.db2.gz WNJQEPBOFWFQHW-UHFFFAOYSA-N 0 0 432.929 3.749 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000001150124 555655883 /nfs/dbraw/zinc/65/58/83/555655883.db2.gz UIGWQJLPGVBGKG-ZDUSSCGKSA-N 0 0 445.368 3.863 50 0 IHAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccnc4)cc3n2)cc1 ZINC000001154522 555658090 /nfs/dbraw/zinc/65/80/90/555658090.db2.gz GYHMEANDBZAESQ-UHFFFAOYSA-N 0 0 432.509 3.649 50 0 IHAARN Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000001158300 555660168 /nfs/dbraw/zinc/66/01/68/555660168.db2.gz UZSILKOODVMQBC-NTEUORMPSA-N 0 0 447.564 3.849 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000001168075 555665293 /nfs/dbraw/zinc/66/52/93/555665293.db2.gz XKLHQVXEIMWFTF-UHFFFAOYSA-N 0 0 438.505 3.941 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000001175415 555669472 /nfs/dbraw/zinc/66/94/72/555669472.db2.gz PXXWDDSTHKYWSI-OAHLLOKOSA-N 0 0 443.297 3.785 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000001176867 555669939 /nfs/dbraw/zinc/66/99/39/555669939.db2.gz GBNUBGSAQGALHM-HXUWFJFHSA-N 0 0 425.485 3.596 50 0 IHAARN CCc1ccc(O)c(NC(=S)NC(=O)c2ccccc2I)c1 ZINC000001180948 555671727 /nfs/dbraw/zinc/67/17/27/555671727.db2.gz CFEUKMRBXHEIEO-UHFFFAOYSA-N 0 0 426.279 3.686 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1OC ZINC000001407272 555693693 /nfs/dbraw/zinc/69/36/93/555693693.db2.gz CHNZLKGVDWVTME-FPTDNZKUSA-N 0 0 431.448 3.688 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000010537172 555693739 /nfs/dbraw/zinc/69/37/39/555693739.db2.gz FTSAOYPAYDRAKQ-UHFFFAOYSA-N 0 0 445.541 3.890 50 0 IHAARN Cc1ccccc1COc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000001422097 555695670 /nfs/dbraw/zinc/69/56/70/555695670.db2.gz FIBWTLCSICGLQS-UHFFFAOYSA-N 0 0 443.463 3.595 50 0 IHAARN CC(C)Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 ZINC000071890555 555746335 /nfs/dbraw/zinc/74/63/35/555746335.db2.gz WZHXJGLSEAJRSB-NRFANRHFSA-N 0 0 432.609 3.678 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890644 555748876 /nfs/dbraw/zinc/74/88/76/555748876.db2.gz OAOFQJQJBQMFRM-LJQANCHMSA-N 0 0 448.564 3.955 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1ccccc1 ZINC000002163636 555751118 /nfs/dbraw/zinc/75/11/18/555751118.db2.gz XSJLNDKPGLAINH-UHFFFAOYSA-N 0 0 426.563 3.790 50 0 IHAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N(C)C)c2C1 ZINC000034678636 555797481 /nfs/dbraw/zinc/79/74/81/555797481.db2.gz QDPTUWTZNZKKHR-UHFFFAOYSA-N 0 0 427.552 3.612 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000002694947 555799845 /nfs/dbraw/zinc/79/98/45/555799845.db2.gz YFFZRYDPMQTDNM-UHFFFAOYSA-N 0 0 443.550 3.771 50 0 IHAARN COc1ccc(CN2CCO[C@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1OC ZINC000034687199 555803168 /nfs/dbraw/zinc/80/31/68/555803168.db2.gz LVHGTGQLANIAJE-QFIPXVFZSA-N 0 0 426.557 3.703 50 0 IHAARN Cc1ccccc1-n1c2ncn(Cc3ccc(F)cc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034692792 555805316 /nfs/dbraw/zinc/80/53/16/555805316.db2.gz ZRDFKWJZSWRBFA-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN COCCn1c(=O)c2c(ncn2[C@@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693809 555808264 /nfs/dbraw/zinc/80/82/64/555808264.db2.gz HLMPKGRWUVVJHN-SFHVURJKSA-N 0 0 432.524 3.728 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1cccc(C(=O)Nc2ccsc2C(=O)OC)c1 ZINC000002747523 555809446 /nfs/dbraw/zinc/80/94/46/555809446.db2.gz ZEXMFYVUUDACEJ-UHFFFAOYSA-N 0 0 444.490 3.887 50 0 IHAARN COc1ccccc1Cn1cnc2c1c(=O)n(C1CC1)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000034695024 555810026 /nfs/dbraw/zinc/81/00/26/555810026.db2.gz FHRPHCZAAGREGJ-UHFFFAOYSA-N 0 0 430.508 3.864 50 0 IHAARN O=C(NC(=S)Nc1ccccc1O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002775947 555817821 /nfs/dbraw/zinc/81/78/21/555817821.db2.gz UJGQNWJEQJWHNZ-UHFFFAOYSA-N 0 0 431.315 3.526 50 0 IHAARN O=C(Nc1ccccc1)N1CCO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685876 555820960 /nfs/dbraw/zinc/82/09/60/555820960.db2.gz UQXNQJVWRKYRFH-NRFANRHFSA-N 0 0 448.489 3.760 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000002786339 555821059 /nfs/dbraw/zinc/82/10/59/555821059.db2.gz NYKZURUXPYBMJA-UHFFFAOYSA-N 0 0 431.316 3.847 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)C[C@H]1C ZINC000034707274 555822134 /nfs/dbraw/zinc/82/21/34/555822134.db2.gz LPVRBSMXZHJESW-QGZVFWFLSA-N 0 0 426.524 3.814 50 0 IHAARN COc1ccc(C(=S)N2CCOCC2)cc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000002813971 555828248 /nfs/dbraw/zinc/82/82/48/555828248.db2.gz HAKZMIZOCQCTRU-UHFFFAOYSA-N 0 0 443.546 3.624 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCn1cnc3ccccc3c1=O)CCCC2 ZINC000002840994 555835561 /nfs/dbraw/zinc/83/55/61/555835561.db2.gz CVYANVHSNRLLGG-UHFFFAOYSA-N 0 0 425.510 3.542 50 0 IHAARN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000002855667 555841363 /nfs/dbraw/zinc/84/13/63/555841363.db2.gz BQPKSADPCJNNRJ-UHFFFAOYSA-N 0 0 445.585 3.745 50 0 IHAARN COc1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1OC ZINC000002855560 555841467 /nfs/dbraw/zinc/84/14/67/555841467.db2.gz WGNZDFQWLPOXDP-UHFFFAOYSA-N 0 0 442.322 3.838 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc(F)c1 ZINC000002859118 555843532 /nfs/dbraw/zinc/84/35/32/555843532.db2.gz WLQQVPZYWSAGCR-UHFFFAOYSA-N 0 0 426.513 3.918 50 0 IHAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000002859662 555843873 /nfs/dbraw/zinc/84/38/73/555843873.db2.gz WYQJKYPPEDYJNG-UHFFFAOYSA-N 0 0 431.477 3.584 50 0 IHAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 ZINC000002864876 555846739 /nfs/dbraw/zinc/84/67/39/555846739.db2.gz 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C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccn1 ZINC000010557452 555983998 /nfs/dbraw/zinc/98/39/98/555983998.db2.gz WWJQPAXTXOJXRS-ZDUSSCGKSA-N 0 0 442.368 3.667 50 0 IHAARN N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004797463 556012107 /nfs/dbraw/zinc/01/21/07/556012107.db2.gz HDGYXQGPCFNBEH-IBGZPJMESA-N 0 0 428.964 3.501 50 0 IHAARN COC[C@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002327757 556081660 /nfs/dbraw/zinc/08/16/60/556081660.db2.gz GGDNCIIYNDUYID-HNNXBMFYSA-N 0 0 434.496 3.610 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 ZINC000006292408 556084250 /nfs/dbraw/zinc/08/42/50/556084250.db2.gz LKIVFNXKPJBDEH-INIZCTEOSA-N 0 0 437.521 3.801 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1C ZINC000006858188 556106412 /nfs/dbraw/zinc/10/64/12/556106412.db2.gz QOKPJGCVWDCHML-UHFFFAOYSA-N 0 0 425.295 3.738 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000006973816 556112290 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Cc1ccc(Cn2ccc(NC(=O)COc3ccc(I)cc3)n2)cc1 ZINC000002726986 556133604 /nfs/dbraw/zinc/13/36/04/556133604.db2.gz WOAGWGWOXMYQJO-UHFFFAOYSA-N 0 0 447.276 3.862 50 0 IHAARN Cc1nonc1CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C ZINC000002733758 556135106 /nfs/dbraw/zinc/13/51/06/556135106.db2.gz YYRQEIZJWDISAG-UHFFFAOYSA-N 0 0 444.948 3.937 50 0 IHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000002753862 556137203 /nfs/dbraw/zinc/13/72/03/556137203.db2.gz XOEZGAXDDMLUHT-GJZGRUSLSA-N 0 0 439.339 3.851 50 0 IHAARN Cc1nn(C)c(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)c1Br ZINC000002788514 556139053 /nfs/dbraw/zinc/13/90/53/556139053.db2.gz YMVDXWBFGJDMED-UHFFFAOYSA-N 0 0 446.202 3.545 50 0 IHAARN Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(NC(=O)c2ccccc2F)c1 ZINC000002825595 556146061 /nfs/dbraw/zinc/14/60/61/556146061.db2.gz PIXIZHHIVHTRHE-UHFFFAOYSA-N 0 0 441.532 3.880 50 0 IHAARN CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)c1C ZINC000002808627 556146631 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IHAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000008449898 556181009 /nfs/dbraw/zinc/18/10/09/556181009.db2.gz KJQNDTHWFBSZHD-WKZKVMAPSA-N 0 0 431.488 3.879 50 0 IHAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3C)C2=O)c1 ZINC000008451822 556182387 /nfs/dbraw/zinc/18/23/87/556182387.db2.gz KZMFDHQUBNRVCU-KGENOOAVSA-N 0 0 428.492 3.934 50 0 IHAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000008451763 556182488 /nfs/dbraw/zinc/18/24/88/556182488.db2.gz LDLOOWKALYXVAH-XDHOZWIPSA-N 0 0 442.493 3.865 50 0 IHAARN CCC(=O)NCCc1nc2cc(NC(=O)c3cccc(Br)c3)ccc2n1C ZINC000008583779 556187920 /nfs/dbraw/zinc/18/79/20/556187920.db2.gz SCIKSSHELYWXRT-UHFFFAOYSA-N 0 0 429.318 3.657 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NC2CCCCC2)C3=O)cc1 ZINC000008595674 556190253 /nfs/dbraw/zinc/19/02/53/556190253.db2.gz QIARSKWQTCGVMK-VWLOTQADSA-N 0 0 449.576 3.723 50 0 IHAARN COc1ccc(C2=NO[C@H](COC(=O)c3ccc(I)cc3)C2)cc1 ZINC000008636889 556194722 /nfs/dbraw/zinc/19/47/22/556194722.db2.gz GOPNNBNKQNACNY-INIZCTEOSA-N 0 0 437.233 3.650 50 0 IHAARN COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003071472 556198906 /nfs/dbraw/zinc/19/89/06/556198906.db2.gz FAWQVJQPGKAVOJ-UHFFFAOYSA-N 0 0 438.505 3.616 50 0 IHAARN O=C(NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)o1 ZINC000008722839 556203636 /nfs/dbraw/zinc/20/36/36/556203636.db2.gz RHWRQWKDXRFMEC-ZDUSSCGKSA-N 0 0 425.304 3.727 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1OCCOc1ccccc1 ZINC000008723190 556203726 /nfs/dbraw/zinc/20/37/26/556203726.db2.gz MTWLZYKQIPPZSW-UHFFFAOYSA-N 0 0 446.503 3.869 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000008763298 556211646 /nfs/dbraw/zinc/21/16/46/556211646.db2.gz MDUMERVOPKGGOQ-KRWDZBQOSA-N 0 0 443.550 3.520 50 0 IHAARN COc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000008767015 556212700 /nfs/dbraw/zinc/21/27/00/556212700.db2.gz UPTKTRUCQNJEQM-IAGOWNOFSA-N 0 0 427.309 3.614 50 0 IHAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008767683 556212732 /nfs/dbraw/zinc/21/27/32/556212732.db2.gz SGXKYBLBOXPOPS-QHCPKHFHSA-N 0 0 446.507 3.665 50 0 IHAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1OC ZINC000008779059 556214328 /nfs/dbraw/zinc/21/43/28/556214328.db2.gz YKJBOWXHCIUTBG-HNNXBMFYSA-N 0 0 444.553 3.805 50 0 IHAARN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC ZINC000008780658 556214659 /nfs/dbraw/zinc/21/46/59/556214659.db2.gz URLQSRYSLOCEMT-JOCHJYFZSA-N 0 0 440.496 3.734 50 0 IHAARN COc1cc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl ZINC000008830351 556225130 /nfs/dbraw/zinc/22/51/30/556225130.db2.gz YVTBJNBOCXGZOM-UHFFFAOYSA-N 0 0 429.966 3.621 50 0 IHAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008923276 556233835 /nfs/dbraw/zinc/23/38/35/556233835.db2.gz VYSFZDAABXETQI-FQEVSTJZSA-N 0 0 443.455 3.685 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000008969224 556237196 /nfs/dbraw/zinc/23/71/96/556237196.db2.gz ZSCASGFGWODMCI-HXUWFJFHSA-N 0 0 425.485 3.596 50 0 IHAARN CN(C(=O)Cn1c2ccccc2sc1=O)c1nnc(SCc2ccccc2)s1 ZINC000009226886 556260626 /nfs/dbraw/zinc/26/06/26/556260626.db2.gz LVAXCSDYCKHLHC-UHFFFAOYSA-N 0 0 428.564 3.870 50 0 IHAARN Cn1c(CCC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000009262772 556269779 /nfs/dbraw/zinc/26/97/79/556269779.db2.gz RLPPPKDLIRTIBU-UHFFFAOYSA-N 0 0 447.923 3.910 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C ZINC000009263407 556270143 /nfs/dbraw/zinc/27/01/43/556270143.db2.gz WRWQGBBCSAAFRN-OAQYLSRUSA-N 0 0 449.580 3.624 50 0 IHAARN COc1cc(-c2nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)s2)cc(OC)c1OC ZINC000009292101 556274314 /nfs/dbraw/zinc/27/43/14/556274314.db2.gz VVZGLXYUVSDVKP-UHFFFAOYSA-N 0 0 434.481 3.936 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC ZINC000013683822 556274869 /nfs/dbraw/zinc/27/48/69/556274869.db2.gz GOQCHDAOKAGTKY-GOSISDBHSA-N 0 0 435.524 3.995 50 0 IHAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000013684729 556275438 /nfs/dbraw/zinc/27/54/38/556275438.db2.gz FZQVVYZYQSOFLE-IBGZPJMESA-N 0 0 431.517 3.622 50 0 IHAARN CCc1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009304530 556276172 /nfs/dbraw/zinc/27/61/72/556276172.db2.gz PWMUCTOAWSAIQH-KRWDZBQOSA-N 0 0 436.371 3.841 50 0 IHAARN CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccc(Cl)cc1 ZINC000009306387 556276907 /nfs/dbraw/zinc/27/69/07/556276907.db2.gz UIERIAHGPKTDPU-SFHVURJKSA-N 0 0 439.932 3.692 50 0 IHAARN Cn1c(CNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000013691049 556280486 /nfs/dbraw/zinc/28/04/86/556280486.db2.gz SNLXOXYTDWBTEJ-UHFFFAOYSA-N 0 0 425.901 3.866 50 0 IHAARN COC(=O)[C@H](CC(=O)c1cccc(OC)c1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013691009 556280491 /nfs/dbraw/zinc/28/04/91/556280491.db2.gz DOVMPEAQJDNNEP-MRXNPFEDSA-N 0 0 430.840 3.993 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013691818 556281363 /nfs/dbraw/zinc/28/13/63/556281363.db2.gz LNLXJBXKTCSXBG-IBGZPJMESA-N 0 0 439.537 3.949 50 0 IHAARN COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009341361 556283476 /nfs/dbraw/zinc/28/34/76/556283476.db2.gz VOROGHWVVWMFEX-MSOLQXFVSA-N 0 0 440.949 3.763 50 0 IHAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 ZINC000009374591 556286683 /nfs/dbraw/zinc/28/66/83/556286683.db2.gz UXDQAJFPWHPTSW-QFIPXVFZSA-N 0 0 432.480 3.739 50 0 IHAARN COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCCCC1)CC(C)(C)OC3 ZINC000009410779 556288541 /nfs/dbraw/zinc/28/85/41/556288541.db2.gz WGPVOUNXTYCUSQ-UHFFFAOYSA-N 0 0 431.558 3.667 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 ZINC000009426421 556290246 /nfs/dbraw/zinc/29/02/46/556290246.db2.gz UXWXVQNAYCVUFW-UHFFFAOYSA-N 0 0 438.505 3.501 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000009426504 556290263 /nfs/dbraw/zinc/29/02/63/556290263.db2.gz GOIQPODCOCLKQX-KRWDZBQOSA-N 0 0 436.537 3.632 50 0 IHAARN O=c1oc2c(ccc3c2CN(CCCN2CCOCC2)CO3)cc1-c1cc(F)cc(F)c1 ZINC000013723979 556291937 /nfs/dbraw/zinc/29/19/37/556291937.db2.gz WBXIHDUYIHKTKH-UHFFFAOYSA-N 0 0 442.462 3.612 50 0 IHAARN COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C(C)C)c4c(c32)CCC4)c1=O ZINC000013729360 556294436 /nfs/dbraw/zinc/29/44/36/556294436.db2.gz WNLBANBSSNGGSN-UHFFFAOYSA-N 0 0 432.480 3.797 50 0 IHAARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000013730405 556295180 /nfs/dbraw/zinc/29/51/80/556295180.db2.gz NUNSYMMDKWBLQK-NFBKMPQASA-N 0 0 448.548 3.661 50 0 IHAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)[C@H]2CCCO2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000013734724 556297164 /nfs/dbraw/zinc/29/71/64/556297164.db2.gz FUMRZPVVNMSUGS-LJQANCHMSA-N 0 0 446.500 3.836 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000013735604 556297456 /nfs/dbraw/zinc/29/74/56/556297456.db2.gz KMUKZFFGHXCVDS-SFHVURJKSA-N 0 0 435.524 3.995 50 0 IHAARN CCn1c(SCC(=O)c2cccc(OC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000009582713 556300736 /nfs/dbraw/zinc/30/07/36/556300736.db2.gz VYXULNFLNJSJBY-CQSZACIVSA-N 0 0 442.516 3.912 50 0 IHAARN CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000032743485 556304002 /nfs/dbraw/zinc/30/40/02/556304002.db2.gz AFXRVXBMXBRYLQ-CQSZACIVSA-N 0 0 449.882 3.584 50 0 IHAARN O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009667499 556304828 /nfs/dbraw/zinc/30/48/28/556304828.db2.gz HTSMIWIXYAZNCN-OAHLLOKOSA-N 0 0 426.929 3.968 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)cc2)c(OC)cc1Cl ZINC000009668286 556305165 /nfs/dbraw/zinc/30/51/65/556305165.db2.gz QFWUBEWPVRVCOX-LJQANCHMSA-N 0 0 440.891 3.580 50 0 IHAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009698729 556306973 /nfs/dbraw/zinc/30/69/73/556306973.db2.gz HEMJCDLWXRMNAM-OAHLLOKOSA-N 0 0 449.536 3.653 50 0 IHAARN CCCc1nc2sc3c(nc(SC)nc3N(C[C@@H](C)O)C[C@H](C)O)c2c2c1CCC2 ZINC000013786161 556309106 /nfs/dbraw/zinc/30/91/06/556309106.db2.gz OHPDWQQYQUBNCS-BETUJISGSA-N 0 0 446.642 3.971 50 0 IHAARN CC[C@H](Sc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000009830458 556311033 /nfs/dbraw/zinc/31/10/33/556311033.db2.gz YAQUPUZMNJQEBG-KDOFPFPSSA-N 0 0 442.516 3.619 50 0 IHAARN Cc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000013805409 556311215 /nfs/dbraw/zinc/31/12/15/556311215.db2.gz IJPNUJIOHRCEAT-HXUWFJFHSA-N 0 0 445.972 3.944 50 0 IHAARN CCCCn1c2sc3c(c2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O)CCN(C(C)=O)C3 ZINC000009830545 556311377 /nfs/dbraw/zinc/31/13/77/556311377.db2.gz PWDNZOLHQOTUIV-UHFFFAOYSA-N 0 0 449.935 3.711 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000032745307 556315114 /nfs/dbraw/zinc/31/51/14/556315114.db2.gz VKEWIOODNFFJEI-HXUWFJFHSA-N 0 0 449.580 3.595 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000032747531 556316292 /nfs/dbraw/zinc/31/62/92/556316292.db2.gz RZYMUPKNIQXHOC-UHFFFAOYSA-N 0 0 443.550 3.673 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933988 556317507 /nfs/dbraw/zinc/31/75/07/556317507.db2.gz CJOWKHNQQVQTSV-NRFANRHFSA-N 0 0 437.496 3.812 50 0 IHAARN O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032759450 556319408 /nfs/dbraw/zinc/31/94/08/556319408.db2.gz AZALHDGXGOCKRM-UHFFFAOYSA-N 0 0 449.472 3.648 50 0 IHAARN CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000032760640 556320711 /nfs/dbraw/zinc/32/07/11/556320711.db2.gz JWTCWULLRZFMAI-UHFFFAOYSA-N 0 0 431.377 3.853 50 0 IHAARN COc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O ZINC000013856066 556320857 /nfs/dbraw/zinc/32/08/57/556320857.db2.gz LDKIUZYDILMLRS-UHFFFAOYSA-N 0 0 429.856 3.921 50 0 IHAARN COc1ccc(C(=O)N2[C@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000010075577 556324938 /nfs/dbraw/zinc/32/49/38/556324938.db2.gz RJUCJJZVFJESCM-RJGXRXQPSA-N 0 0 449.551 3.593 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000032776947 556326952 /nfs/dbraw/zinc/32/69/52/556326952.db2.gz MOZZAILXTVEFQQ-IAGOWNOFSA-N 0 0 435.567 3.580 50 0 IHAARN C[C@H](NC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 ZINC000010273467 556328707 /nfs/dbraw/zinc/32/87/07/556328707.db2.gz ACHCOPNAYPLAMK-INIZCTEOSA-N 0 0 435.915 3.734 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)NC(=O)CO4)s2)cc1OC ZINC000032768840 556333533 /nfs/dbraw/zinc/33/35/33/556333533.db2.gz QRFCLWKLAPXHPV-UHFFFAOYSA-N 0 0 425.466 3.719 50 0 IHAARN O=C(CCc1nnc(-c2ccccc2)o1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032769029 556333827 /nfs/dbraw/zinc/33/38/27/556333827.db2.gz SZJKPFRPVJAVNR-UHFFFAOYSA-N 0 0 445.445 3.822 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2F)c(Br)c1 ZINC000032770625 556334568 /nfs/dbraw/zinc/33/45/68/556334568.db2.gz ZRHYLGJDWNLSOT-UHFFFAOYSA-N 0 0 430.295 3.586 50 0 IHAARN COc1ccc(C2=N/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000013942126 556339291 /nfs/dbraw/zinc/33/92/91/556339291.db2.gz ZGGFOHPDXLSFGJ-RCCKNPSSSA-N 0 0 435.457 3.807 50 0 IHAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1C ZINC000013942536 556340024 /nfs/dbraw/zinc/34/00/24/556340024.db2.gz LEGUKXCAHFSGIB-OAHLLOKOSA-N 0 0 436.493 3.656 50 0 IHAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c1 ZINC000013942850 556340382 /nfs/dbraw/zinc/34/03/82/556340382.db2.gz PIRHZWMKXJHPPA-UHFFFAOYSA-N 0 0 448.850 3.966 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 ZINC000013944830 556342346 /nfs/dbraw/zinc/34/23/46/556342346.db2.gz RRXFXGZOLDMEFL-KRWDZBQOSA-N 0 0 437.471 3.513 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 ZINC000013944758 556342367 /nfs/dbraw/zinc/34/23/67/556342367.db2.gz IGDIUGHACSWLCK-HNNXBMFYSA-N 0 0 441.915 3.868 50 0 IHAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1S[C@@H](C)C(=O)NC(C)(C)C ZINC000013956524 556345132 /nfs/dbraw/zinc/34/51/32/556345132.db2.gz JZMMCAHBJRCYAK-ZDUSSCGKSA-N 0 0 437.997 3.918 50 0 IHAARN CCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1-c1ccccc1 ZINC000032786805 556349980 /nfs/dbraw/zinc/34/99/80/556349980.db2.gz QUQZCNWRWWYFAZ-UHFFFAOYSA-N 0 0 438.553 3.862 50 0 IHAARN COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccs2)CC1 ZINC000011782655 556351423 /nfs/dbraw/zinc/35/14/23/556351423.db2.gz JWAZNMHCFOKMLQ-JOCHJYFZSA-N 0 0 446.588 3.775 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC000032778429 556351468 /nfs/dbraw/zinc/35/14/68/556351468.db2.gz LFCDKSOMKVAWQA-UHFFFAOYSA-N 0 0 435.962 3.691 50 0 IHAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000013985853 556351877 /nfs/dbraw/zinc/35/18/77/556351877.db2.gz RRCHYXKUCXFJFF-IBGZPJMESA-N 0 0 440.594 3.674 50 0 IHAARN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789775 556355291 /nfs/dbraw/zinc/35/52/91/556355291.db2.gz RYXGTXZXFKJKCG-BTYIYWSLSA-N 0 0 436.462 3.936 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)/C=C/c2cccs2)C3)cc1 ZINC000011813621 556357215 /nfs/dbraw/zinc/35/72/15/556357215.db2.gz VZAKPVZXKXNXDO-PEKVBPLLSA-N 0 0 439.558 3.952 50 0 IHAARN Cc1nc(CSCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cs1 ZINC000032796509 556361452 /nfs/dbraw/zinc/36/14/52/556361452.db2.gz SRBLDZZZADGBEW-UHFFFAOYSA-N 0 0 442.404 3.901 50 0 IHAARN Cc1ccccc1[C@@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O ZINC000032796545 556361731 /nfs/dbraw/zinc/36/17/31/556361731.db2.gz ZNLZBSVYJOBKSL-UXHICEINSA-N 0 0 445.947 3.947 50 0 IHAARN COc1cc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1OCc1ccccc1 ZINC000014086548 556364696 /nfs/dbraw/zinc/36/46/96/556364696.db2.gz OYEXBBFPVLRXLO-UHFFFAOYSA-N 0 0 443.503 3.609 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000011842603 556365827 /nfs/dbraw/zinc/36/58/27/556365827.db2.gz VWLZEYOKXFEQCU-DEOSSOPVSA-N 0 0 429.488 3.871 50 0 IHAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000014095306 556367186 /nfs/dbraw/zinc/36/71/86/556367186.db2.gz WLMINSSDDUNZEN-UHFFFAOYSA-N 0 0 426.505 3.928 50 0 IHAARN O=S(=O)(c1cccs1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014098373 556367905 /nfs/dbraw/zinc/36/79/05/556367905.db2.gz YTINUXSMIKCEFB-UHFFFAOYSA-N 0 0 425.885 3.716 50 0 IHAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 ZINC000014109462 556369110 /nfs/dbraw/zinc/36/91/10/556369110.db2.gz QGPTUCOSFCQTAE-RUZDIDTESA-N 0 0 435.524 3.884 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000014109262 556369149 /nfs/dbraw/zinc/36/91/49/556369149.db2.gz YRTWLNXTGBHUTM-UHFFFAOYSA-N 0 0 444.896 3.826 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000014114880 556370616 /nfs/dbraw/zinc/37/06/16/556370616.db2.gz YFDQGWSLPLFREA-UHFFFAOYSA-N 0 0 432.476 3.691 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014117108 556371291 /nfs/dbraw/zinc/37/12/91/556371291.db2.gz ZWYPTEPVUHRMLF-UXHICEINSA-N 0 0 443.613 3.842 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000014124700 556373135 /nfs/dbraw/zinc/37/31/35/556373135.db2.gz BKPKDAJDMAPWOA-XMMPIXPASA-N 0 0 444.535 3.536 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000011881445 556373249 /nfs/dbraw/zinc/37/32/49/556373249.db2.gz ZNOLUZBJTOBYBI-XBFAEUMISA-N 0 0 448.563 3.705 50 0 IHAARN CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)C1=CCCC1)CC2 ZINC000011882468 556373696 /nfs/dbraw/zinc/37/36/96/556373696.db2.gz RMCPOCGLHNLFFC-RPWUZVMVSA-N 0 0 445.563 3.942 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccc4c(c3)OCO4)[C@H](c3ccco3)C2)cc1 ZINC000014128691 556373772 /nfs/dbraw/zinc/37/37/72/556373772.db2.gz GQZYAQFJNXSCGX-NRFANRHFSA-N 0 0 447.491 3.827 50 0 IHAARN Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000014134862 556374892 /nfs/dbraw/zinc/37/48/92/556374892.db2.gz PBBKTLUYSRADGG-UHFFFAOYSA-N 0 0 429.329 3.519 50 0 IHAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000011933356 556376789 /nfs/dbraw/zinc/37/67/89/556376789.db2.gz FYJSARQXVLJNFA-HNNXBMFYSA-N 0 0 430.936 3.824 50 0 IHAARN COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000014142283 556377121 /nfs/dbraw/zinc/37/71/21/556377121.db2.gz WAJOBOMZGFCSIG-UHFFFAOYSA-N 0 0 442.581 3.930 50 0 IHAARN CCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OCCC ZINC000014161227 556378237 /nfs/dbraw/zinc/37/82/37/556378237.db2.gz IEBODUOPWWVAQV-UHFFFAOYSA-N 0 0 440.540 3.951 50 0 IHAARN CC(C)[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000014182315 556382835 /nfs/dbraw/zinc/38/28/35/556382835.db2.gz GEPLUICUOSIISY-OAQYLSRUSA-N 0 0 437.945 3.789 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN(C)Cc1cn(C)nc1C ZINC000014191951 556388078 /nfs/dbraw/zinc/38/80/78/556388078.db2.gz PJIWULZRXQCDAL-UHFFFAOYSA-N 0 0 426.542 3.704 50 0 IHAARN O=C(CN[C@H](c1cccs1)c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000014197847 556389059 /nfs/dbraw/zinc/38/90/59/556389059.db2.gz BABRYUNQKRUTIO-REWPJTCUSA-N 0 0 440.590 3.647 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000014198483 556389731 /nfs/dbraw/zinc/38/97/31/556389731.db2.gz JNZABHXFHGKAHF-IBGZPJMESA-N 0 0 447.310 3.788 50 0 IHAARN COc1ccc(CCNC(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000012037152 556390233 /nfs/dbraw/zinc/39/02/33/556390233.db2.gz ZKIZFKWQRWUYGG-DEOSSOPVSA-N 0 0 444.959 3.688 50 0 IHAARN CCNC(=O)COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC ZINC000014227567 556395556 /nfs/dbraw/zinc/39/55/56/556395556.db2.gz QYCMEVVNEYUTLB-UYRXBGFRSA-N 0 0 436.508 3.852 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000014233089 556398617 /nfs/dbraw/zinc/39/86/17/556398617.db2.gz LOGAMBWLQKGPNH-NRFANRHFSA-N 0 0 426.476 3.703 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1C ZINC000014235733 556399128 /nfs/dbraw/zinc/39/91/28/556399128.db2.gz LQKWDJDJMYZWFJ-KROKWJMESA-N 0 0 439.600 3.715 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)cs2)cc1 ZINC000014240955 556401491 /nfs/dbraw/zinc/40/14/91/556401491.db2.gz YFGKQXNVBONNRB-UHFFFAOYSA-N 0 0 427.507 3.761 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O ZINC000014241496 556401775 /nfs/dbraw/zinc/40/17/75/556401775.db2.gz FRJNWEOTHRYULY-ZFWWWQNUSA-N 0 0 427.888 3.550 50 0 IHAARN Cc1cc(C(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(C)n1C1CC1 ZINC000014242622 556403210 /nfs/dbraw/zinc/40/32/10/556403210.db2.gz GNBKNUAKHZTJID-UHFFFAOYSA-N 0 0 432.590 3.557 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1OC ZINC000014242802 556403479 /nfs/dbraw/zinc/40/34/79/556403479.db2.gz CYEOBEGRHOIFRM-IBGZPJMESA-N 0 0 433.936 3.942 50 0 IHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014244114 556403731 /nfs/dbraw/zinc/40/37/31/556403731.db2.gz DZRSCUCKNIPLKE-XJKSGUPXSA-N 0 0 440.587 3.641 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244253 556403971 /nfs/dbraw/zinc/40/39/71/556403971.db2.gz FXDUGTSPQYDLFG-GOSISDBHSA-N 0 0 447.560 3.764 50 0 IHAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219264207 556405108 /nfs/dbraw/zinc/40/51/08/556405108.db2.gz XVYVWWNCDODJOR-LJQANCHMSA-N 0 0 437.587 3.678 50 0 IHAARN O=C(C1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)N1CCCCCC1 ZINC000014245552 556405230 /nfs/dbraw/zinc/40/52/30/556405230.db2.gz RSIWSXNTTVKVHE-UHFFFAOYSA-N 0 0 438.355 3.662 50 0 IHAARN COc1ccc(-c2nc(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)cs2)cc1 ZINC000014245933 556405707 /nfs/dbraw/zinc/40/57/07/556405707.db2.gz CODBLFHIXNQZRJ-LJQANCHMSA-N 0 0 443.594 3.612 50 0 IHAARN COc1ccc(Cl)cc1[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(F)(F)F ZINC000014246107 556406045 /nfs/dbraw/zinc/40/60/45/556406045.db2.gz ZKFCDPRDLBKLPZ-MRXNPFEDSA-N 0 0 427.762 3.791 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1n[nH]c(=O)c3ccccc31)CC2 ZINC000014246435 556406307 /nfs/dbraw/zinc/40/63/07/556406307.db2.gz LPGMMQJWDUAZPH-JOCHJYFZSA-N 0 0 447.516 3.790 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cc1 ZINC000014249218 556407991 /nfs/dbraw/zinc/40/79/91/556407991.db2.gz IZBOSPWBCLDLPS-UHFFFAOYSA-N 0 0 425.554 3.812 50 0 IHAARN COc1ccc(CN(C(=O)N(C)Cc2ccccc2)S(=O)(=O)c2cccnc2)cc1 ZINC000032616667 556409105 /nfs/dbraw/zinc/40/91/05/556409105.db2.gz OINOZTCECPOAEU-UHFFFAOYSA-N 0 0 425.510 3.533 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)C2)cc1 ZINC000032824623 556410146 /nfs/dbraw/zinc/41/01/46/556410146.db2.gz KNVGKLHWFSTEAE-FQEVSTJZSA-N 0 0 446.551 3.521 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000032825283 556410625 /nfs/dbraw/zinc/41/06/25/556410625.db2.gz VVXLSYCSCWTSAO-UHFFFAOYSA-N 0 0 428.492 3.611 50 0 IHAARN CC(=O)c1cc(F)ccc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000032624118 556411146 /nfs/dbraw/zinc/41/11/46/556411146.db2.gz YWQWTWFJZXCWJY-UHFFFAOYSA-N 0 0 448.859 3.665 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 ZINC000032645418 556412423 /nfs/dbraw/zinc/41/24/23/556412423.db2.gz AYYFXOANUREOAW-UHFFFAOYSA-N 0 0 430.480 3.621 50 0 IHAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1)c1cccs1 ZINC000012857707 556413297 /nfs/dbraw/zinc/41/32/97/556413297.db2.gz DHLJYRYKOBNAHH-UHFFFAOYSA-N 0 0 425.491 3.856 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000032648808 556413482 /nfs/dbraw/zinc/41/34/82/556413482.db2.gz ODEBALRPOYXJDS-CQSZACIVSA-N 0 0 432.293 3.917 50 0 IHAARN O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2ncccc21 ZINC000014329549 556413574 /nfs/dbraw/zinc/41/35/74/556413574.db2.gz BAAFSSWNWAQZRC-UHFFFAOYSA-N 0 0 431.492 3.539 50 0 IHAARN Cc1cccc(S(=O)(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2)c1 ZINC000014370125 556414954 /nfs/dbraw/zinc/41/49/54/556414954.db2.gz KMEOQILAVVRDPT-UHFFFAOYSA-N 0 0 433.533 3.827 50 0 IHAARN CCOC(=O)Nc1ccc(C(=O)OCC(=O)c2c(C)n(C3CC3)c(C)c2C(=O)OC)cc1 ZINC000032830329 556417116 /nfs/dbraw/zinc/41/71/16/556417116.db2.gz VIJIVPGZTJTQTA-UHFFFAOYSA-N 0 0 442.468 3.835 50 0 IHAARN COc1cc(CCC2CCN(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc(OC)c1 ZINC000012943495 556417391 /nfs/dbraw/zinc/41/73/91/556417391.db2.gz YDQOHLCNNABMOB-AVRWGWEMSA-N 0 0 443.588 3.807 50 0 IHAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000032836123 556418288 /nfs/dbraw/zinc/41/82/88/556418288.db2.gz KVZXXRZHWNLNIR-UHFFFAOYSA-N 0 0 448.530 3.903 50 0 IHAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000032836693 556418549 /nfs/dbraw/zinc/41/85/49/556418549.db2.gz XMWXGQRTKOACGA-GFCCVEGCSA-N 0 0 427.931 3.618 50 0 IHAARN Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)s1 ZINC000014530388 556419901 /nfs/dbraw/zinc/41/99/01/556419901.db2.gz IRIYQOSJEUUIBY-FQEVSTJZSA-N 0 0 427.570 3.654 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCC[C@H](C)O)cnc2n1CCC(C)C ZINC000014533143 556421616 /nfs/dbraw/zinc/42/16/16/556421616.db2.gz BORXPSHUIYMEMW-HNNXBMFYSA-N 0 0 442.516 3.897 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012977279 556422429 /nfs/dbraw/zinc/42/24/29/556422429.db2.gz FMKJYQXEEKSELT-UHFFFAOYSA-N 0 0 441.500 3.822 50 0 IHAARN Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)cs1 ZINC000014537277 556424019 /nfs/dbraw/zinc/42/40/19/556424019.db2.gz RMPAVBCZZNVJNL-FQEVSTJZSA-N 0 0 427.570 3.654 50 0 IHAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000012982731 556425434 /nfs/dbraw/zinc/42/54/34/556425434.db2.gz VUTHADZWLIZOKC-JOCHJYFZSA-N 0 0 445.585 3.501 50 0 IHAARN CC(=O)c1ccccc1C(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2cccc(F)c2)C1 ZINC000014541287 556425520 /nfs/dbraw/zinc/42/55/20/556425520.db2.gz INULRRZGIKDMTR-NRFANRHFSA-N 0 0 440.515 3.554 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000032841506 556427154 /nfs/dbraw/zinc/42/71/54/556427154.db2.gz YPOVMTPSKCWEKY-IBGZPJMESA-N 0 0 431.558 3.743 50 0 IHAARN COc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c2nccn2C)cc1 ZINC000032843628 556428683 /nfs/dbraw/zinc/42/86/83/556428683.db2.gz IUKNLLQAMUBWCA-JOCHJYFZSA-N 0 0 431.496 3.626 50 0 IHAARN O=C(N[C@@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000032843581 556428691 /nfs/dbraw/zinc/42/86/91/556428691.db2.gz OFWYYGXBKFBCHV-HXUWFJFHSA-N 0 0 436.489 3.633 50 0 IHAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 ZINC000012991385 556428737 /nfs/dbraw/zinc/42/87/37/556428737.db2.gz KLTGTXOLGKTURH-UHFFFAOYSA-N 0 0 429.542 3.805 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 ZINC000032847858 556430527 /nfs/dbraw/zinc/43/05/27/556430527.db2.gz WEXGBWWALCFVMC-UHFFFAOYSA-N 0 0 443.573 3.994 50 0 IHAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000014671052 556431348 /nfs/dbraw/zinc/43/13/48/556431348.db2.gz BRPPTJGGOILRFJ-GFCCVEGCSA-N 0 0 429.416 3.880 50 0 IHAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000012997196 556431648 /nfs/dbraw/zinc/43/16/48/556431648.db2.gz PFNKOVDGPRGLAG-HXUWFJFHSA-N 0 0 448.610 3.693 50 0 IHAARN O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000027797202 556433078 /nfs/dbraw/zinc/43/30/78/556433078.db2.gz KTUDXUYXZTVYAV-LJQANCHMSA-N 0 0 440.565 3.644 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000013004898 556434755 /nfs/dbraw/zinc/43/47/55/556434755.db2.gz BFTIROAVYZOGRM-UHFFFAOYSA-N 0 0 438.871 3.520 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000013010228 556435770 /nfs/dbraw/zinc/43/57/70/556435770.db2.gz WZUOKAMVLLRRDP-HLLBOEOZSA-N 0 0 443.396 3.907 50 0 IHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2nnsc2Cl)c1 ZINC000027940220 556436020 /nfs/dbraw/zinc/43/60/20/556436020.db2.gz IYEMIDUEUKENJN-GFCCVEGCSA-N 0 0 449.941 3.688 50 0 IHAARN C[C@H]1Cc2cc(C(=O)COc3ccc(Br)cc3F)ccc2N1S(C)(=O)=O ZINC000013016028 556437666 /nfs/dbraw/zinc/43/76/66/556437666.db2.gz BFZFTKKGBFTUMG-NSHDSACASA-N 0 0 442.306 3.561 50 0 IHAARN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1 ZINC000014744444 556440274 /nfs/dbraw/zinc/44/02/74/556440274.db2.gz KTYSIKZKZJJXKM-UHFFFAOYSA-N 0 0 447.564 3.537 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000028198417 556445236 /nfs/dbraw/zinc/44/52/36/556445236.db2.gz HNHRUPKYEVPADF-OAHLLOKOSA-N 0 0 428.476 3.511 50 0 IHAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000032860080 556446516 /nfs/dbraw/zinc/44/65/16/556446516.db2.gz ZHTMIWKPLSKVHI-UHFFFAOYSA-N 0 0 432.911 3.725 50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCCO4)C(=O)[C@@H]2C)cc1 ZINC000013057593 556449154 /nfs/dbraw/zinc/44/91/54/556449154.db2.gz HLCSBGINFQYGPK-ZDUSSCGKSA-N 0 0 431.286 3.886 50 0 IHAARN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCOCC2)cc1 ZINC000028291710 556450031 /nfs/dbraw/zinc/45/00/31/556450031.db2.gz SXGLIDYBTNTQOF-NRFANRHFSA-N 0 0 434.536 3.894 50 0 IHAARN Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000013062580 556451062 /nfs/dbraw/zinc/45/10/62/556451062.db2.gz QJYQFVCXNRAVSQ-INIZCTEOSA-N 0 0 435.509 3.543 50 0 IHAARN Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000013062575 556451096 /nfs/dbraw/zinc/45/10/96/556451096.db2.gz QJYQFVCXNRAVSQ-MRXNPFEDSA-N 0 0 435.509 3.543 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O ZINC000013062958 556451289 /nfs/dbraw/zinc/45/12/89/556451289.db2.gz CECXQWJHKDZSMU-XMMPIXPASA-N 0 0 439.487 3.850 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@H]2c2cccs2)cc1 ZINC000013062986 556451334 /nfs/dbraw/zinc/45/13/34/556451334.db2.gz YIYIFXGTUDAHMS-KNQAVFIVSA-N 0 0 444.520 3.765 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C)cc1 ZINC000013063201 556451762 /nfs/dbraw/zinc/45/17/62/556451762.db2.gz CHGYTNHNYZNLGS-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3ccsc3)C2)s1 ZINC000028317874 556452121 /nfs/dbraw/zinc/45/21/21/556452121.db2.gz HUUHNOSBBBHEGC-INIZCTEOSA-N 0 0 444.669 3.568 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)ccc1Oc1cccnc1 ZINC000072274087 556452750 /nfs/dbraw/zinc/45/27/50/556452750.db2.gz QBWRKDKCBLAIDU-IRLDBZIGSA-N 0 0 447.491 3.893 50 0 IHAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2ccccc2c1 ZINC000013069852 556452850 /nfs/dbraw/zinc/45/28/50/556452850.db2.gz CVRXBWKABVAHDQ-UHFFFAOYSA-N 0 0 440.521 3.698 50 0 IHAARN COc1ccc(Cc2nn(CN(C)CC(=O)Nc3ccccc3Cl)c(=S)o2)cc1 ZINC000013070055 556453310 /nfs/dbraw/zinc/45/33/10/556453310.db2.gz UIATWQGUHWFJFA-UHFFFAOYSA-N 0 0 432.933 3.986 50 0 IHAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000013071257 556453452 /nfs/dbraw/zinc/45/34/52/556453452.db2.gz KTPZFTIYXNKJRH-UHFFFAOYSA-N 0 0 432.476 3.980 50 0 IHAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C(=O)CC)cc1 ZINC000013070711 556453474 /nfs/dbraw/zinc/45/34/74/556453474.db2.gz CBAQPYHRLJPHIF-UHFFFAOYSA-N 0 0 441.915 3.987 50 0 IHAARN Cc1csc2nc(CNc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc(=O)n12 ZINC000013074243 556454655 /nfs/dbraw/zinc/45/46/55/556454655.db2.gz PRHFEZQXIIZGIB-UHFFFAOYSA-N 0 0 440.550 3.502 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000013073667 556454674 /nfs/dbraw/zinc/45/46/74/556454674.db2.gz IQWWSJSAXCFFRH-UHFFFAOYSA-N 0 0 438.505 3.579 50 0 IHAARN Cc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000028516110 556456421 /nfs/dbraw/zinc/45/64/21/556456421.db2.gz FITDEKUZBZZZSO-UHFFFAOYSA-N 0 0 435.549 3.673 50 0 IHAARN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000072277532 556458705 /nfs/dbraw/zinc/45/87/05/556458705.db2.gz BEHAZINAVGTMRF-OSPHWJPCSA-N 0 0 427.545 3.591 50 0 IHAARN COC[C@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O ZINC000028683687 556458797 /nfs/dbraw/zinc/45/87/97/556458797.db2.gz WQLALCWTGXBWIL-DLBZAZTESA-N 0 0 437.565 3.669 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)C2)s1 ZINC000028775357 556460749 /nfs/dbraw/zinc/46/07/49/556460749.db2.gz INEVWZLXMJXHHC-INIZCTEOSA-N 0 0 443.594 3.523 50 0 IHAARN O=C(CN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1)Nc1cccc(F)c1 ZINC000013102542 556461281 /nfs/dbraw/zinc/46/12/81/556461281.db2.gz ULVYNFLGKZTPIK-UHFFFAOYSA-N 0 0 429.923 3.684 50 0 IHAARN COc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)sc2c1 ZINC000028838369 556462023 /nfs/dbraw/zinc/46/20/23/556462023.db2.gz GIPGLTZRFLAUHR-UHFFFAOYSA-N 0 0 433.445 3.946 50 0 IHAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC[C@H](c4ccncn4)C3)cc2)c1 ZINC000014955802 556462374 /nfs/dbraw/zinc/46/23/74/556462374.db2.gz BSCCSJLHIDRYDB-IBGZPJMESA-N 0 0 431.492 3.745 50 0 IHAARN CCCC[C@@H]1CN(CCNC(=O)c2ccc(OC)c(OC)c2OC)Cc2ccccc2O1 ZINC000014958594 556463009 /nfs/dbraw/zinc/46/30/09/556463009.db2.gz XRHODQOGWOJNBI-LJQANCHMSA-N 0 0 442.556 3.896 50 0 IHAARN O=C(c1cccs1)N1CCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 ZINC000013109725 556463294 /nfs/dbraw/zinc/46/32/94/556463294.db2.gz RAOXSNKLZBNDNR-OAQYLSRUSA-N 0 0 446.528 3.801 50 0 IHAARN C[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000013112559 556465252 /nfs/dbraw/zinc/46/52/52/556465252.db2.gz MOAUPROLBBRUJK-KRWDZBQOSA-N 0 0 432.476 3.602 50 0 IHAARN CN(C)C(=O)CCC(=O)NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000014965873 556465341 /nfs/dbraw/zinc/46/53/41/556465341.db2.gz BBBDZJDYSOJEOX-GOSISDBHSA-N 0 0 436.430 3.540 50 0 IHAARN COCCNc1ncnc2sc(C(=O)NCc3cccc(OC(F)(F)F)c3)c(C)c21 ZINC000014964840 556465380 /nfs/dbraw/zinc/46/53/80/556465380.db2.gz WUGPEELYWKDDTD-UHFFFAOYSA-N 0 0 440.447 3.887 50 0 IHAARN Cc1noc(CSc2ccccc2C(=O)OCC(=O)N(C)Cc2ccccc2F)n1 ZINC000029015266 556465598 /nfs/dbraw/zinc/46/55/98/556465598.db2.gz LWCKIJYZHBYWEF-UHFFFAOYSA-N 0 0 429.473 3.625 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O ZINC000013116250 556468878 /nfs/dbraw/zinc/46/88/78/556468878.db2.gz GUDYFEDZDGZERR-HOYKHHGWSA-N 0 0 439.581 3.820 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000011042829 556470818 /nfs/dbraw/zinc/47/08/18/556470818.db2.gz OCKCPASRIRLXBZ-UHFFFAOYSA-N 0 0 435.465 3.699 50 0 IHAARN Cc1ccccc1-c1nnc(SCCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000032870960 556471689 /nfs/dbraw/zinc/47/16/89/556471689.db2.gz HOBXKKGVGHNENX-UHFFFAOYSA-N 0 0 440.481 3.647 50 0 IHAARN Nn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1ccc(Cl)cc1Cl ZINC000013120197 556472347 /nfs/dbraw/zinc/47/23/47/556472347.db2.gz BWSHQRUGZOMXDL-UHFFFAOYSA-N 0 0 447.351 3.694 50 0 IHAARN O=C(COc1ccccc1)Nc1cnn(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000014990380 556474797 /nfs/dbraw/zinc/47/47/97/556474797.db2.gz KUCRKNSKHCCBIW-OAQYLSRUSA-N 0 0 432.524 3.697 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)Cc1csc(C)n1)C2 ZINC000014990695 556474807 /nfs/dbraw/zinc/47/48/07/556474807.db2.gz IKFLFHSDORTJCL-SFHVURJKSA-N 0 0 436.533 3.876 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000013124051 556474877 /nfs/dbraw/zinc/47/48/77/556474877.db2.gz CICXRXAEOQOGEH-XJKSGUPXSA-N 0 0 438.479 3.885 50 0 IHAARN COCCOc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000072283146 556475088 /nfs/dbraw/zinc/47/50/88/556475088.db2.gz ZBYKZTJXADJGIY-QHCPKHFHSA-N 0 0 434.492 3.565 50 0 IHAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013124815 556475079 /nfs/dbraw/zinc/47/50/79/556475079.db2.gz DKFPBRIHJBERSA-OAQYLSRUSA-N 0 0 425.510 3.981 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 ZINC000013124662 556475160 /nfs/dbraw/zinc/47/51/60/556475160.db2.gz NVXPFZDIDLVPDC-MLGOLLRUSA-N 0 0 429.475 3.711 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCc1cn(C)nc1C)CC2 ZINC000072285390 556476853 /nfs/dbraw/zinc/47/68/53/556476853.db2.gz AFBULGBWWDQPOL-HSZRJFAPSA-N 0 0 425.554 3.914 50 0 IHAARN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000029494886 556476942 /nfs/dbraw/zinc/47/69/42/556476942.db2.gz LDVUGMSUCNVPOP-GFCCVEGCSA-N 0 0 444.336 3.806 50 0 IHAARN O=C(NCc1ccsc1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000014994680 556477045 /nfs/dbraw/zinc/47/70/45/556477045.db2.gz BCOOQLFMBAESEV-UHFFFAOYSA-N 0 0 445.504 3.927 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nc2ccc(F)cc2s1 ZINC000013129616 556479540 /nfs/dbraw/zinc/47/95/40/556479540.db2.gz JNBJTNRCOTWTEP-UHFFFAOYSA-N 0 0 433.530 3.791 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N3CCOc4ccc(Cl)cc4C3)CCC(=O)N2)cc1 ZINC000015004101 556481145 /nfs/dbraw/zinc/48/11/45/556481145.db2.gz ZFAHXAMWXISQRQ-XMMPIXPASA-N 0 0 442.943 3.741 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000013133700 556481412 /nfs/dbraw/zinc/48/14/12/556481412.db2.gz LSNWWLOQYLBZKI-VWLOTQADSA-N 0 0 445.544 3.737 50 0 IHAARN O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(-c2ccccc2)cc1)N1CCCCCC1 ZINC000015005853 556481592 /nfs/dbraw/zinc/48/15/92/556481592.db2.gz UBODOGJYCPIGMB-RPWUZVMVSA-N 0 0 430.556 3.558 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1OC ZINC000013134098 556481958 /nfs/dbraw/zinc/48/19/58/556481958.db2.gz SUOVBSSBFBQYIG-UHFFFAOYSA-N 0 0 447.487 3.844 50 0 IHAARN O=C([C@@H]1CC(=O)c2ccccc21)N1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000015008996 556482519 /nfs/dbraw/zinc/48/25/19/556482519.db2.gz DSIXIIUANROHAJ-LJQANCHMSA-N 0 0 430.426 3.637 50 0 IHAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000029846560 556484205 /nfs/dbraw/zinc/48/42/05/556484205.db2.gz UQMVPEGZHXMNCZ-JOCHJYFZSA-N 0 0 442.924 3.734 50 0 IHAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000015016232 556485477 /nfs/dbraw/zinc/48/54/77/556485477.db2.gz XULDUBFFUOOUDJ-SFHVURJKSA-N 0 0 431.286 3.829 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000029982867 556487911 /nfs/dbraw/zinc/48/79/11/556487911.db2.gz SKJUAKHKQQEYTC-UHFFFAOYSA-N 0 0 429.398 3.789 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)ccc21 ZINC000015020716 556488088 /nfs/dbraw/zinc/48/80/88/556488088.db2.gz XUNUYWWGGQUTEH-KRWDZBQOSA-N 0 0 441.578 3.638 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 ZINC000032876539 556489149 /nfs/dbraw/zinc/48/91/49/556489149.db2.gz MDOVGIXJXSYGIW-UHFFFAOYSA-N 0 0 430.489 3.714 50 0 IHAARN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044933 556489727 /nfs/dbraw/zinc/48/97/27/556489727.db2.gz MXYFMOOOMUOSHD-CQSZACIVSA-N 0 0 446.345 3.832 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl)(C3)C2 ZINC000013148986 556490295 /nfs/dbraw/zinc/49/02/95/556490295.db2.gz JKYBZCXUAMSLEM-AGGFMBIDSA-N 0 0 436.911 3.824 50 0 IHAARN O=C(c1ccc2ncsc2c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030062988 556490297 /nfs/dbraw/zinc/49/02/97/556490297.db2.gz FGTYLHSGBQZITO-UHFFFAOYSA-N 0 0 427.551 3.674 50 0 IHAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000030220215 556491620 /nfs/dbraw/zinc/49/16/20/556491620.db2.gz CIMKWUNYIUPVJC-RPWUZVMVSA-N 0 0 442.563 3.943 50 0 IHAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCCc1cccc(Cl)c1 ZINC000015064233 556491810 /nfs/dbraw/zinc/49/18/10/556491810.db2.gz CIEKAEBOIGCGEK-QHCPKHFHSA-N 0 0 435.955 3.543 50 0 IHAARN COCCNC(=O)c1ccc(OC2CCN(Cc3cnn(C(C)C)c3)CC2)c(Cl)c1 ZINC000015064809 556492160 /nfs/dbraw/zinc/49/21/60/556492160.db2.gz HZKBXODGWVFBER-UHFFFAOYSA-N 0 0 434.968 3.537 50 0 IHAARN CCC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000013154032 556493043 /nfs/dbraw/zinc/49/30/43/556493043.db2.gz YLDDYSKNGPLWTF-JTQLQIEISA-N 0 0 433.586 3.958 50 0 aggregator IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000015070651 556495284 /nfs/dbraw/zinc/49/52/84/556495284.db2.gz HOLIFMBWQJRIOA-DEOSSOPVSA-N 0 0 445.462 3.764 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000011067942 556496635 /nfs/dbraw/zinc/49/66/35/556496635.db2.gz YXSGMGVGJAKBSV-ZDUSSCGKSA-N 0 0 449.338 3.628 50 0 IHAARN Cc1cccc(Cn2nccc2NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000030526915 556496981 /nfs/dbraw/zinc/49/69/81/556496981.db2.gz QQHUVJOWAJTVAB-UHFFFAOYSA-N 0 0 447.564 3.919 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)s2)cs1 ZINC000030572450 556498310 /nfs/dbraw/zinc/49/83/10/556498310.db2.gz NQCQFMNRYAKDTF-OAHLLOKOSA-N 0 0 429.567 3.984 50 0 IHAARN O=C(CCC1=NNC(=O)CC1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015074495 556498459 /nfs/dbraw/zinc/49/84/59/556498459.db2.gz IOIGBTFIZAWYRJ-IBGZPJMESA-N 0 0 433.508 3.946 50 0 IHAARN O=C(c1cc(COc2cncc(Cl)c2)on1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000015074472 556498469 /nfs/dbraw/zinc/49/84/69/556498469.db2.gz MYABPKWDWVHMCZ-QGZVFWFLSA-N 0 0 428.876 3.518 50 0 IHAARN CCCCc1c(-c2ccccc2)n(-c2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081571 556501312 /nfs/dbraw/zinc/50/13/12/556501312.db2.gz GSXGSEJDAXULNZ-UHFFFAOYSA-N 0 0 441.535 3.994 50 0 IHAARN Cn1c2cn(-c3ccc4c(c3)OCO4)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000015084168 556501916 /nfs/dbraw/zinc/50/19/16/556501916.db2.gz WFUWBGWBWFNOKF-UHFFFAOYSA-N 0 0 431.492 3.721 50 0 IHAARN COc1cc2nc(SCc3c4c(c(OC)c(OC)c3OC)COC4=O)[nH]c2cc1OC ZINC000015083733 556501922 /nfs/dbraw/zinc/50/19/22/556501922.db2.gz AHUZWRBJMOVWPA-UHFFFAOYSA-N 0 0 446.481 3.569 50 0 IHAARN O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000013303348 556501919 /nfs/dbraw/zinc/50/19/19/556501919.db2.gz MWETWNSKBPIWLJ-CKEIUWERSA-N 0 0 432.320 3.809 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4sc(=O)[nH]c4c2)[C@H]3CCC1 ZINC000015083490 556501957 /nfs/dbraw/zinc/50/19/57/556501957.db2.gz ZTLPUYUNDYXFCS-IBGZPJMESA-N 0 0 439.562 3.935 50 0 IHAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000015099499 556503559 /nfs/dbraw/zinc/50/35/59/556503559.db2.gz LYWNNMODVRKARD-UHFFFAOYSA-N 0 0 443.472 3.708 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)N3CCCCC3)c(C)cc2C)cc1 ZINC000013426586 556505917 /nfs/dbraw/zinc/50/59/17/556505917.db2.gz LTRAKMVHMGUBFI-UHFFFAOYSA-N 0 0 436.599 3.612 50 0 IHAARN CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000030815514 556506420 /nfs/dbraw/zinc/50/64/20/556506420.db2.gz UMHGHKKTYHOSSG-SJLPKXTDSA-N 0 0 436.599 3.733 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCCC1 ZINC000032879854 556507463 /nfs/dbraw/zinc/50/74/63/556507463.db2.gz XALSWIXBPKRCGM-LJQANCHMSA-N 0 0 432.567 3.525 50 0 IHAARN CSc1nc(C)c(CCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(=O)[nH]1 ZINC000032882261 556509024 /nfs/dbraw/zinc/50/90/24/556509024.db2.gz LJVQYAFILMMZNO-UHFFFAOYSA-N 0 0 426.567 3.754 50 0 IHAARN CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)ccc1O ZINC000030855908 556510148 /nfs/dbraw/zinc/51/01/48/556510148.db2.gz BVECFTVOAPKVND-PDGQHHTCSA-N 0 0 440.521 3.501 50 0 IHAARN Cc1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nn1-c1ccc(F)cc1 ZINC000015192528 556510458 /nfs/dbraw/zinc/51/04/58/556510458.db2.gz VAOVXPAPKZLESW-UHFFFAOYSA-N 0 0 437.456 3.862 50 0 IHAARN COC(=O)Cc1csc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)n1 ZINC000013548533 556514657 /nfs/dbraw/zinc/51/46/57/556514657.db2.gz DOPPVRMBAYIFHQ-UHFFFAOYSA-N 0 0 440.477 3.818 50 0 IHAARN COc1cccc(N2CCN(Cc3nnc(-c4ccccc4Br)o3)CC2)c1 ZINC000030963864 556518271 /nfs/dbraw/zinc/51/82/71/556518271.db2.gz XXMZWSLFHVLJFB-UHFFFAOYSA-N 0 0 429.318 3.830 50 0 IHAARN CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CC1 ZINC000004561771 556519240 /nfs/dbraw/zinc/51/92/40/556519240.db2.gz WRTUCLKKPGVEGJ-UHFFFAOYSA-N 0 0 426.557 3.825 50 0 IHAARN O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032719094 556521614 /nfs/dbraw/zinc/52/16/14/556521614.db2.gz ODALIEIGEHYTST-GOSISDBHSA-N 0 0 439.903 3.519 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC2)cc1C ZINC000072298249 556521952 /nfs/dbraw/zinc/52/19/52/556521952.db2.gz UJBMOAWVTMDOGG-SFHVURJKSA-N 0 0 434.524 3.797 50 0 IHAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072296882 556522207 /nfs/dbraw/zinc/52/22/07/556522207.db2.gz FKLAVGFDIJYNJZ-AQNXPRMDSA-N 0 0 447.576 3.747 50 0 IHAARN COc1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000013572870 556523469 /nfs/dbraw/zinc/52/34/69/556523469.db2.gz HCCWRYAMNCKOGP-HSZRJFAPSA-N 0 0 445.519 3.569 50 0 IHAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@@H](C)n3nc(C)cc3C)c(F)c2)n1 ZINC000072300838 556523554 /nfs/dbraw/zinc/52/35/54/556523554.db2.gz JQRYQZDEEMTBRP-QZTJIDSGSA-N 0 0 440.523 3.876 50 0 IHAARN Cc1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(O)c1 ZINC000013573690 556524001 /nfs/dbraw/zinc/52/40/01/556524001.db2.gz ZUZPDZMMJDWLFM-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1Cl)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013573944 556524494 /nfs/dbraw/zinc/52/44/94/556524494.db2.gz MQAQSMLBPDBEOJ-UHFFFAOYSA-N 0 0 447.351 3.901 50 0 IHAARN O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCc1ccc(O)cc1 ZINC000013576076 556525813 /nfs/dbraw/zinc/52/58/13/556525813.db2.gz VKRYLZAUMJVHCN-AQTBWJFISA-N 0 0 430.913 3.831 50 0 IHAARN O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015434248 556527511 /nfs/dbraw/zinc/52/75/11/556527511.db2.gz PLLNTQJEGMFPAI-UHFFFAOYSA-N 0 0 446.326 3.575 50 0 IHAARN CC(C)OC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)[C@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O ZINC000013583201 556528674 /nfs/dbraw/zinc/52/86/74/556528674.db2.gz UTHOPROUGTUCHE-HSGJQSDISA-N 0 0 432.557 3.927 50 0 IHAARN COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCCS4)c1 ZINC000013591658 556529696 /nfs/dbraw/zinc/52/96/96/556529696.db2.gz NJPCHBRPABCIMN-UHFFFAOYSA-N 0 0 438.484 3.633 50 0 IHAARN CSc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 ZINC000013592162 556530395 /nfs/dbraw/zinc/53/03/95/556530395.db2.gz PIVMEAWDUFABQZ-UHFFFAOYSA-N 0 0 440.525 3.957 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(C)C ZINC000013623444 556536012 /nfs/dbraw/zinc/53/60/12/556536012.db2.gz WEHFFUZRUANQCF-FCHUYYIVSA-N 0 0 444.503 3.698 50 0 IHAARN CC(C)n1nccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000032719345 556537071 /nfs/dbraw/zinc/53/70/71/556537071.db2.gz KWAPPRZYFXEIPJ-HXUWFJFHSA-N 0 0 433.464 3.714 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1[C@@H](C)NC(=O)c1ccco1 ZINC000032579619 556541819 /nfs/dbraw/zinc/54/18/19/556541819.db2.gz MEYPOWAUWKTUSL-CYBMUJFWSA-N 0 0 431.493 3.560 50 0 IHAARN CCn1ccc(-c2cc(C(=O)OC)n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)n1 ZINC000013645588 556543648 /nfs/dbraw/zinc/54/36/48/556543648.db2.gz YLRAORMEQVIOST-UHFFFAOYSA-N 0 0 430.390 3.844 50 0 IHAARN O=C(NC1CCCC1)C1(N(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000004434644 556544755 /nfs/dbraw/zinc/54/47/55/556544755.db2.gz QDDGRKZOJVDKNF-FQEVSTJZSA-N 0 0 442.556 3.798 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000013655534 556545925 /nfs/dbraw/zinc/54/59/25/556545925.db2.gz YLAMBAUALBUGQE-UHFFFAOYSA-N 0 0 427.404 3.764 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1nc3ccc(C)cc3s1)C[C@H](C)S2 ZINC000004436681 556546632 /nfs/dbraw/zinc/54/66/32/556546632.db2.gz CIRBSGKDXMXVRN-NSHDSACASA-N 0 0 432.596 3.949 50 0 aggregator IHAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NC3CCCCC3)c1)c2=O ZINC000032959311 556546895 /nfs/dbraw/zinc/54/68/95/556546895.db2.gz NNTPQKPSCMVBET-UHFFFAOYSA-N 0 0 437.521 3.524 50 0 IHAARN COc1cccc(N2CCN(C(=O)CCc3ccc4nc(NC(C)=O)sc4c3)CC2)c1 ZINC000032959347 556546965 /nfs/dbraw/zinc/54/69/65/556546965.db2.gz SHUAYJPEKBTJNW-UHFFFAOYSA-N 0 0 438.553 3.545 50 0 IHAARN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000004145686 556547226 /nfs/dbraw/zinc/54/72/26/556547226.db2.gz IASNEQDWRXBECK-MRKDMUIPSA-N 0 0 430.541 3.952 50 0 biogenic IHAARN O=C(NCc1nc2ccccc2s1)c1[nH]nc2ccc(I)cc21 ZINC000072302744 556547255 /nfs/dbraw/zinc/54/72/55/556547255.db2.gz DGSZEUHYGATQKR-UHFFFAOYSA-N 0 0 434.262 3.707 50 0 IHAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000032721625 556547183 /nfs/dbraw/zinc/54/71/83/556547183.db2.gz DVLCBSMYNLUBGD-OXQOHEQNSA-N 0 0 435.480 3.787 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccccc4C)C3)n2)cc1OC ZINC000015726147 556547573 /nfs/dbraw/zinc/54/75/73/556547573.db2.gz YKOIJKSDYRILQB-SFHVURJKSA-N 0 0 436.512 3.913 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)o2)cc1 ZINC000072303318 556547856 /nfs/dbraw/zinc/54/78/56/556547856.db2.gz LNIRKGOQIGTSCS-VSKRKVRLSA-N 0 0 429.520 3.856 50 0 IHAARN O=C(NC[C@](O)(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072304396 556548473 /nfs/dbraw/zinc/54/84/73/556548473.db2.gz GRXUOEIEIJOEPL-QFQXNSOFSA-N 0 0 448.588 3.847 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3ccc(C)cc3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000015780000 556551502 /nfs/dbraw/zinc/55/15/02/556551502.db2.gz RYXVMSYWVOJGEW-UHFFFAOYSA-N 0 0 443.551 3.776 50 0 IHAARN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1C(F)(F)F ZINC000032906238 556551803 /nfs/dbraw/zinc/55/18/03/556551803.db2.gz RVHGUZRCNHFBLI-UHFFFAOYSA-N 0 0 438.450 3.892 50 0 IHAARN NC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000011092095 556553307 /nfs/dbraw/zinc/55/33/07/556553307.db2.gz OQAJLKOBJITKMH-UHFFFAOYSA-N 0 0 430.302 3.634 50 0 IHAARN O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032906605 556553339 /nfs/dbraw/zinc/55/33/39/556553339.db2.gz XYDBJTJOIPFCAU-CQSZACIVSA-N 0 0 439.313 3.674 50 0 IHAARN COc1ccccc1CNC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2C)CC1 ZINC000033115099 556554261 /nfs/dbraw/zinc/55/42/61/556554261.db2.gz ILZARXITFJNRRU-UHFFFAOYSA-N 0 0 446.551 3.748 50 0 IHAARN COc1ccc(CCN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000015846520 556557297 /nfs/dbraw/zinc/55/72/97/556557297.db2.gz UORDJLYIYPYGBL-UHFFFAOYSA-N 0 0 448.519 3.927 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000013682419 556557435 /nfs/dbraw/zinc/55/74/35/556557435.db2.gz CFMAQAGCJAMCGQ-UHFFFAOYSA-N 0 0 449.576 3.754 50 0 IHAARN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2ccco2)CC1 ZINC000015860071 556558422 /nfs/dbraw/zinc/55/84/22/556558422.db2.gz WCIYZYJGEJBKSB-IBGZPJMESA-N 0 0 437.496 3.909 50 0 IHAARN CC[C@@](C)(CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 ZINC000072306336 556559857 /nfs/dbraw/zinc/55/98/57/556559857.db2.gz BHLGMVGAYDXUOD-DVECYGJZSA-N 0 0 431.577 3.925 50 0 IHAARN CNC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000072307242 556562165 /nfs/dbraw/zinc/56/21/65/556562165.db2.gz XQWJWXJHTICTGA-UHFFFAOYSA-N 0 0 432.524 3.536 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 ZINC000072308682 556565007 /nfs/dbraw/zinc/56/50/07/556565007.db2.gz HXPFXAAYYRQYJC-UHFFFAOYSA-N 0 0 449.552 3.761 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c(OC)c1 ZINC000032960390 556567139 /nfs/dbraw/zinc/56/71/39/556567139.db2.gz FBZMBKUYQWPSBE-SFHVURJKSA-N 0 0 438.528 3.698 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC000032909765 556576838 /nfs/dbraw/zinc/57/68/38/556576838.db2.gz ZYVGJJOTLOLACM-UHFFFAOYSA-N 0 0 440.960 3.796 50 0 IHAARN O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCC2(CC1)NC(=O)NC2=O ZINC000072310802 556577010 /nfs/dbraw/zinc/57/70/10/556577010.db2.gz JBUNFFWMDOBSQF-FTMAYTQWSA-N 0 0 438.324 3.620 50 0 IHAARN O=C(N[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000032909967 556578326 /nfs/dbraw/zinc/57/83/26/556578326.db2.gz WDHYVLQMHXQGPM-QFIPXVFZSA-N 0 0 447.560 3.640 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nc4cc(OC)ccc4[nH]3)nc2c1 ZINC000032911003 556581890 /nfs/dbraw/zinc/58/18/90/556581890.db2.gz SXHWCNKZENELKL-UHFFFAOYSA-N 0 0 445.570 3.771 50 0 IHAARN O=S(=O)(Nc1ccccc1I)c1cccc(Br)c1 ZINC000016101391 556583007 /nfs/dbraw/zinc/58/30/07/556583007.db2.gz UQOAMVCSLMZNCL-UHFFFAOYSA-N 0 0 438.084 3.855 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)cc1 ZINC000032911549 556584858 /nfs/dbraw/zinc/58/48/58/556584858.db2.gz LAKKLWPQABCYKN-QFIPXVFZSA-N 0 0 429.586 3.903 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1Cl ZINC000034890494 556586126 /nfs/dbraw/zinc/58/61/26/556586126.db2.gz NJCLGMNCDPPQQL-RVSPLBMKSA-N 0 0 435.981 3.972 50 0 IHAARN CCCN(CCC)C(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC ZINC000034920873 556586601 /nfs/dbraw/zinc/58/66/01/556586601.db2.gz PCVJRQAJNSJSRB-SFHVURJKSA-N 0 0 432.561 3.854 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000032967247 556587892 /nfs/dbraw/zinc/58/78/92/556587892.db2.gz UEBQQCGGZCHHBI-AEFFLSMTSA-N 0 0 426.344 3.760 50 0 IHAARN O=C(COC(=O)CCc1nc(-c2ccccn2)no1)Nc1ccc(-c2ccccc2)cc1 ZINC000032912294 556590934 /nfs/dbraw/zinc/59/09/34/556590934.db2.gz DPCICSMRLAUDNG-UHFFFAOYSA-N 0 0 428.448 3.913 50 0 IHAARN COc1cc(C(=S)N2CCN(C)CC2)ccc1OCc1ccc(Br)cc1 ZINC000016212273 556590987 /nfs/dbraw/zinc/59/09/87/556590987.db2.gz JOFOZDHCJHCZMB-UHFFFAOYSA-N 0 0 435.387 3.960 50 0 IHAARN Cc1nn(Cc2cc(-c3ccccc3)on2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000011104542 556594617 /nfs/dbraw/zinc/59/46/17/556594617.db2.gz ADDRSLSYQLIWMJ-UHFFFAOYSA-N 0 0 434.521 3.955 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1C ZINC000016261232 556594857 /nfs/dbraw/zinc/59/48/57/556594857.db2.gz UUVXWEFNVLOTPE-UHFFFAOYSA-N 0 0 445.566 3.842 50 0 IHAARN COC(=O)CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1O ZINC000032913879 556595319 /nfs/dbraw/zinc/59/53/19/556595319.db2.gz TUVOMPNBLFOHCZ-UHFFFAOYSA-N 0 0 425.268 3.634 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCc3ccc(Cl)cc3)CC2)cc1 ZINC000032973965 556596027 /nfs/dbraw/zinc/59/60/27/556596027.db2.gz QFDJWMCPTOWTQC-UHFFFAOYSA-N 0 0 434.989 3.798 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCSCC3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000071761920 556598052 /nfs/dbraw/zinc/59/80/52/556598052.db2.gz ZXCMWAYRPGPMQW-UHFFFAOYSA-N 0 0 442.522 3.591 50 0 IHAARN Cc1cccc(CSCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 ZINC000016349369 556602077 /nfs/dbraw/zinc/60/20/77/556602077.db2.gz AXDHDTXFDXPPLJ-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016372328 556603660 /nfs/dbraw/zinc/60/36/60/556603660.db2.gz OWRJDTIORAALDE-KSKOPSKJSA-N 0 0 433.543 3.946 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)[C@H]1CCCO1 ZINC000016400380 556605516 /nfs/dbraw/zinc/60/55/16/556605516.db2.gz BJKJKXHRRVLZJF-OAHLLOKOSA-N 0 0 432.498 3.612 50 0 IHAARN Cc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000032987159 556606951 /nfs/dbraw/zinc/60/69/51/556606951.db2.gz IOPDEBOKYQCSDE-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000032987465 556607655 /nfs/dbraw/zinc/60/76/55/556607655.db2.gz ZFDGTEIEXNEYMU-QGZVFWFLSA-N 0 0 438.553 3.753 50 0 IHAARN Cc1nc(NC(=O)c2nn(-c3ccccc3)nc2C)sc1Cc1ccc2c(c1)OCO2 ZINC000032988019 556608800 /nfs/dbraw/zinc/60/88/00/556608800.db2.gz OIHNZFUUWWVIJK-UHFFFAOYSA-N 0 0 433.493 3.912 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC000016476369 556610787 /nfs/dbraw/zinc/61/07/87/556610787.db2.gz SFHHARBCHLQVSG-FQEVSTJZSA-N 0 0 443.931 3.886 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)cnc21 ZINC000032915824 556613239 /nfs/dbraw/zinc/61/32/39/556613239.db2.gz BLZOMTKXPIYASC-QGZVFWFLSA-N 0 0 447.417 3.902 50 0 IHAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038530651 556613503 /nfs/dbraw/zinc/61/35/03/556613503.db2.gz TVRYHBKCQSKYKQ-UHFFFAOYSA-N 0 0 441.579 3.948 50 0 IHAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(CC)CC(=O)NC(C)C ZINC000016563289 556615627 /nfs/dbraw/zinc/61/56/27/556615627.db2.gz ZEYMTXFWWPOAHC-UHFFFAOYSA-N 0 0 449.548 3.516 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)c1ccc(Cl)cc1)[nH]c2=O ZINC000010613661 556618307 /nfs/dbraw/zinc/61/83/07/556618307.db2.gz CSBXHFJUDGGFEG-UHFFFAOYSA-N 0 0 426.885 3.746 50 0 IHAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100564970 556620943 /nfs/dbraw/zinc/62/09/43/556620943.db2.gz LLATXXZJLCJMCN-MHORFTMASA-N 0 0 445.302 3.731 50 0 IHAARN O=S(=O)(c1ccc(SCc2nc(-c3ccc(F)cc3)no2)nc1)N1CCCCC1 ZINC000016679222 556623511 /nfs/dbraw/zinc/62/35/11/556623511.db2.gz BSQRQKPKDQRHRL-UHFFFAOYSA-N 0 0 434.518 3.738 50 0 IHAARN COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC ZINC000060300408 556627990 /nfs/dbraw/zinc/62/79/90/556627990.db2.gz IYTJOSYSUWTJLB-HUUCEWRRSA-N 0 0 447.329 3.910 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000016718627 556630740 /nfs/dbraw/zinc/63/07/40/556630740.db2.gz QYGBVVMAHWRUOT-UHFFFAOYSA-N 0 0 439.537 3.650 50 0 IHAARN COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1 ZINC000016735168 556633081 /nfs/dbraw/zinc/63/30/81/556633081.db2.gz FNBIQOWTSCNFNM-ORWCDEBVSA-N 0 0 425.897 3.540 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016742555 556636559 /nfs/dbraw/zinc/63/65/59/556636559.db2.gz WXVMEADKLUQYDU-MRXNPFEDSA-N 0 0 442.002 3.921 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](CC(C)=C[C@@H]4C)C3=O)cc2)cc1 ZINC000100649052 556639608 /nfs/dbraw/zinc/63/96/08/556639608.db2.gz PADVOKDFVJTERK-UZQPLGKSSA-N 0 0 431.492 3.989 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C ZINC000016765165 556640178 /nfs/dbraw/zinc/64/01/78/556640178.db2.gz GFKHCUMOJHFXLD-LJQANCHMSA-N 0 0 425.441 3.641 50 0 IHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(C)c(Cl)c1)C[C@H](C)S2 ZINC000011726537 556647455 /nfs/dbraw/zinc/64/74/55/556647455.db2.gz LJMXQRWXBVSIIQ-LBPRGKRZSA-N 0 0 439.990 3.619 50 0 IHAARN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000016921047 556649332 /nfs/dbraw/zinc/64/93/32/556649332.db2.gz FSBDTLVMXHGUMX-CYBMUJFWSA-N 0 0 443.525 3.543 50 0 IHAARN COc1ccc(OCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011749663 556650274 /nfs/dbraw/zinc/65/02/74/556650274.db2.gz VXMFEGHNBOZVOX-UHFFFAOYSA-N 0 0 429.476 3.540 50 0 IHAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)Nc4cccc(F)c4)nn3)CC2)c1 ZINC000038487670 556650406 /nfs/dbraw/zinc/65/04/06/556650406.db2.gz ZHELMVZERCTIRY-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751563 556650948 /nfs/dbraw/zinc/65/09/48/556650948.db2.gz KEAFODRXIJHECG-BFUOFWGJSA-N 0 0 425.510 3.851 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000016963050 556651379 /nfs/dbraw/zinc/65/13/79/556651379.db2.gz YQXMYIKKCPMNQP-SCTDSRPQSA-N 0 0 428.554 3.828 50 0 IHAARN COc1ccccc1CN(C)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O ZINC000032999772 556653492 /nfs/dbraw/zinc/65/34/92/556653492.db2.gz KQQLRBHMGZZDPS-UHFFFAOYSA-N 0 0 444.487 3.778 50 0 IHAARN NC(=O)N[C@@H](CC(=O)NCCCSc1ccccc1)c1cccc(Br)c1 ZINC000033000463 556654324 /nfs/dbraw/zinc/65/43/24/556654324.db2.gz TUMXEJGAANPJQP-KRWDZBQOSA-N 0 0 436.375 3.847 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000247985707 556654500 /nfs/dbraw/zinc/65/45/00/556654500.db2.gz JPSSQEIKJWMYEF-HBGVWJBISA-N 0 0 434.989 3.925 50 0 IHAARN COc1ccc(C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 ZINC000032926161 556655193 /nfs/dbraw/zinc/65/51/93/556655193.db2.gz JATMRCCNGCXXAG-DEOSSOPVSA-N 0 0 446.551 3.810 50 0 IHAARN O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000011794309 556656228 /nfs/dbraw/zinc/65/62/28/556656228.db2.gz FJHYDVUDUSWZGU-UHFFFAOYSA-N 0 0 440.481 3.604 50 0 IHAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2OC)s1 ZINC000033007907 556656903 /nfs/dbraw/zinc/65/69/03/556656903.db2.gz QRMCWKRUTXAKEN-UHFFFAOYSA-N 0 0 427.454 3.732 50 0 IHAARN CN1C[C@H](c2ccccc2F)[C@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000248026338 556657529 /nfs/dbraw/zinc/65/75/29/556657529.db2.gz MIMUXDSTTFGLPT-JSRBVGTNSA-N 0 0 428.463 3.964 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 ZINC000017095903 556659546 /nfs/dbraw/zinc/65/95/46/556659546.db2.gz LOOFOEAMUOHASA-UHFFFAOYSA-N 0 0 428.514 3.629 50 0 IHAARN C[C@@H](Cc1ccco1)NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011539 556659621 /nfs/dbraw/zinc/65/96/21/556659621.db2.gz AESUBNKDYWCBAI-NSHDSACASA-N 0 0 436.946 3.876 50 0 IHAARN COC(=O)c1cc(-c2cn(C)nc2C)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645244 556660078 /nfs/dbraw/zinc/66/00/78/556660078.db2.gz BVAYSZABFRKPLL-UHFFFAOYSA-N 0 0 430.390 3.669 50 0 IHAARN CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017097077 556661219 /nfs/dbraw/zinc/66/12/19/556661219.db2.gz HPYWWMOTYSLPPM-UHFFFAOYSA-N 0 0 430.559 3.869 50 0 IHAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000033013271 556662939 /nfs/dbraw/zinc/66/29/39/556662939.db2.gz PORSXBNGZXDGEP-IBGZPJMESA-N 0 0 437.496 3.785 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013781 556663467 /nfs/dbraw/zinc/66/34/67/556663467.db2.gz UHXAOBRBAYYWNA-UHFFFAOYSA-N 0 0 445.479 3.806 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C(=O)OC)c1C ZINC000017098870 556663758 /nfs/dbraw/zinc/66/37/58/556663758.db2.gz NBBXTXIOGVYDMR-UHFFFAOYSA-N 0 0 434.514 3.595 50 0 IHAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n21 ZINC000033014365 556664674 /nfs/dbraw/zinc/66/46/74/556664674.db2.gz SMWPLMXHPFRDJD-UHFFFAOYSA-N 0 0 433.537 3.945 50 0 IHAARN COc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2cnn3C)c1 ZINC000017148928 556670292 /nfs/dbraw/zinc/67/02/92/556670292.db2.gz GAAPXXSBEUALNN-UHFFFAOYSA-N 0 0 433.491 3.581 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000017162243 556670851 /nfs/dbraw/zinc/67/08/51/556670851.db2.gz SVCYQULFGCRADS-HIFRSBDPSA-N 0 0 440.521 3.615 50 0 IHAARN COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000100791538 556673029 /nfs/dbraw/zinc/67/30/29/556673029.db2.gz AZEYUZWGGNXWLR-IBGZPJMESA-N 0 0 436.464 3.887 50 0 biogenic IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000017296814 556674869 /nfs/dbraw/zinc/67/48/69/556674869.db2.gz TVELGFXONBTXQH-NNRCOIDBSA-N 0 0 436.558 3.525 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 ZINC000100819097 556677047 /nfs/dbraw/zinc/67/70/47/556677047.db2.gz YFQYACWYQWRAKN-QURGRASLSA-N 0 0 431.583 3.628 50 0 IHAARN NC(=O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000018007787 556681342 /nfs/dbraw/zinc/68/13/42/556681342.db2.gz VEFLTSBQTBQFBM-JQBYJRRVSA-N 0 0 428.875 3.836 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O)Nc1ccc(Br)cc1 ZINC000018067766 556682812 /nfs/dbraw/zinc/68/28/12/556682812.db2.gz AVXDYVWYRCSCFP-KFKAGJAMSA-N 0 0 441.325 3.957 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000018218011 556687425 /nfs/dbraw/zinc/68/74/25/556687425.db2.gz YJGXTQILADQMGV-QFIPXVFZSA-N 0 0 438.499 3.589 50 0 IHAARN Cc1nnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)s1 ZINC000018222651 556687642 /nfs/dbraw/zinc/68/76/42/556687642.db2.gz XCAXHTZYEUAAFV-UHFFFAOYSA-N 0 0 425.543 3.834 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000018244649 556687915 /nfs/dbraw/zinc/68/79/15/556687915.db2.gz RYAFGJQWHNFHMC-YHYVQYDKSA-N 0 0 446.503 3.633 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1 ZINC000046005654 556689891 /nfs/dbraw/zinc/68/98/91/556689891.db2.gz RHGQPWYKQPCFOO-INIZCTEOSA-N 0 0 449.486 3.625 50 0 IHAARN O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000252489763 556690564 /nfs/dbraw/zinc/69/05/64/556690564.db2.gz JZLAYPYOXBEPPF-WOJBJXKFSA-N 0 0 435.455 3.776 50 0 IHAARN COc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252503533 556691151 /nfs/dbraw/zinc/69/11/51/556691151.db2.gz VESKGZDOYHDQKM-IBGZPJMESA-N 0 0 439.493 3.651 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252668806 556693839 /nfs/dbraw/zinc/69/38/39/556693839.db2.gz FQKKRMLEYKXHRJ-QFIPXVFZSA-N 0 0 446.572 3.706 50 0 IHAARN COC(=O)c1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1-c1ccccc1 ZINC000033025509 556700802 /nfs/dbraw/zinc/70/08/02/556700802.db2.gz BKSLEUOQAKZGNY-UHFFFAOYSA-N 0 0 429.480 3.880 50 0 IHAARN O=C(Nc1cccc(C(=O)NCc2cccnc2)c1)c1nnc(COc2ccccc2)s1 ZINC000033027167 556704425 /nfs/dbraw/zinc/70/44/25/556704425.db2.gz LIRHAHFEEXLTEE-UHFFFAOYSA-N 0 0 445.504 3.694 50 0 IHAARN O=C(CSc1nc(CC(=O)N2CCc3ccccc32)cs1)c1ccc2c(c1)OCO2 ZINC000013654671 556707798 /nfs/dbraw/zinc/70/77/98/556707798.db2.gz SRUNVXDHDFUZRY-UHFFFAOYSA-N 0 0 438.530 3.979 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CNC(=O)C3CCCCC3)c2)cc1C ZINC000033028423 556708912 /nfs/dbraw/zinc/70/89/12/556708912.db2.gz UBVWDTBSYOPOFC-UHFFFAOYSA-N 0 0 443.569 3.739 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCc1ccco1 ZINC000033031937 556712192 /nfs/dbraw/zinc/71/21/92/556712192.db2.gz ULEZHURXWSLLBE-UHFFFAOYSA-N 0 0 428.286 3.706 50 0 IHAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)CC1 ZINC000033034472 556716672 /nfs/dbraw/zinc/71/66/72/556716672.db2.gz PCRFICXZXSXJMV-UHFFFAOYSA-N 0 0 438.572 3.507 50 0 IHAARN CCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccc(F)cc4)c3NC(C)=O)cc2)CC1 ZINC000033037348 556722802 /nfs/dbraw/zinc/72/28/02/556722802.db2.gz USONLTYSPSTWBO-UHFFFAOYSA-N 0 0 449.530 3.723 50 0 IHAARN CSc1cccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)c1 ZINC000033037911 556723643 /nfs/dbraw/zinc/72/36/43/556723643.db2.gz CCZBBIZNXFKVQL-UHFFFAOYSA-N 0 0 435.553 3.617 50 0 IHAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000033037821 556723699 /nfs/dbraw/zinc/72/36/99/556723699.db2.gz WSFDPTMXFJNZGW-UHFFFAOYSA-N 0 0 447.539 3.602 50 0 IHAARN O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C2CCC2)s1 ZINC000061720939 556727506 /nfs/dbraw/zinc/72/75/06/556727506.db2.gz STQJGNXQZQGTNR-UHFFFAOYSA-N 0 0 447.992 3.917 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc4ccccc43)n2)CC1 ZINC000054313805 556730004 /nfs/dbraw/zinc/73/00/04/556730004.db2.gz XETUCDCBAKTEOF-UHFFFAOYSA-N 0 0 441.539 3.681 50 0 IHAARN COCCn1c(CN(C)[C@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC(C)(C)C ZINC000055036101 556732336 /nfs/dbraw/zinc/73/23/36/556732336.db2.gz BIWHFEACWDUIAP-QGZVFWFLSA-N 0 0 437.606 3.551 50 0 IHAARN Cn1cc(CN2CCN(c3ncccn3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000055089570 556734080 /nfs/dbraw/zinc/73/40/80/556734080.db2.gz IWUJNGBMTQSLIS-UHFFFAOYSA-N 0 0 426.524 3.992 50 0 IHAARN COc1ccccc1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055211848 556737852 /nfs/dbraw/zinc/73/78/52/556737852.db2.gz USSCHVMGIXHLTO-NRFANRHFSA-N 0 0 425.548 3.580 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2OC)n1CCc1ccccc1 ZINC000055211863 556738008 /nfs/dbraw/zinc/73/80/08/556738008.db2.gz DORSEBXCUVIRNQ-UHFFFAOYSA-N 0 0 427.570 3.560 50 0 IHAARN CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 ZINC000055242729 556738569 /nfs/dbraw/zinc/73/85/69/556738569.db2.gz XFWUMGRBHDSPKI-HXUWFJFHSA-N 0 0 435.634 3.838 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccccc2F)CC1 ZINC000057486628 556747866 /nfs/dbraw/zinc/74/78/66/556747866.db2.gz VBYZFTWZCUKUQL-UHFFFAOYSA-N 0 0 449.461 3.832 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000060365742 556748000 /nfs/dbraw/zinc/74/80/00/556748000.db2.gz HKAOYSXATAHCCT-UHFFFAOYSA-N 0 0 448.376 3.739 50 0 IHAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1c(F)cccc1Cl ZINC000057947762 556749597 /nfs/dbraw/zinc/74/95/97/556749597.db2.gz FXZUJRUWVARMNW-JOCHJYFZSA-N 0 0 430.863 3.910 50 0 IHAARN O=c1[nH]c(=S)n(CN2CCN(c3ccc(F)cc3)CC2)c2sc3c(c21)CCCC3 ZINC000057945193 556749635 /nfs/dbraw/zinc/74/96/35/556749635.db2.gz LVTJZAQGUXHDEK-UHFFFAOYSA-N 0 0 430.574 3.918 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1NC(=O)OC(C)(C)C ZINC000057991860 556750985 /nfs/dbraw/zinc/75/09/85/556750985.db2.gz CDEFTNHJGVVCHY-INIZCTEOSA-N 0 0 446.548 3.909 50 0 IHAARN CCc1cccc(CC)c1NC(=O)C(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F ZINC000057996040 556751577 /nfs/dbraw/zinc/75/15/77/556751577.db2.gz GRGHQCFZQQNFCT-HXUWFJFHSA-N 0 0 426.435 3.608 50 0 IHAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002104388 556759064 /nfs/dbraw/zinc/75/90/64/556759064.db2.gz JDZOWKQXEHPTLN-RZPHLTDDSA-N 0 0 448.604 3.687 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCCc4cccc(OC)c43)nc2c1 ZINC000058130594 556760033 /nfs/dbraw/zinc/76/00/33/556760033.db2.gz MZSCLHIJHWUNFR-UHFFFAOYSA-N 0 0 428.558 3.555 50 0 IHAARN Cc1ccc(NCc2ccc(F)cc2Br)cc1S(=O)(=O)N1CCOCC1 ZINC000011170196 556761046 /nfs/dbraw/zinc/76/10/46/556761046.db2.gz BZAZUVJVZCVNTJ-UHFFFAOYSA-N 0 0 443.338 3.530 50 0 IHAARN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000061935658 556762593 /nfs/dbraw/zinc/76/25/93/556762593.db2.gz NJFURSRWOCJKDV-UHFFFAOYSA-N 0 0 434.540 3.640 50 0 IHAARN COc1cc2c(cc1OC)C(=O)N[C@]1(N2)c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000058157421 556763051 /nfs/dbraw/zinc/76/30/51/556763051.db2.gz YFORYCLYGDCMQU-XMMPIXPASA-N 0 0 449.894 3.912 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1Br ZINC000058160759 556764554 /nfs/dbraw/zinc/76/45/54/556764554.db2.gz QHMKXIMZJZEZJB-CVEARBPZSA-N 0 0 432.362 3.860 50 0 IHAARN COc1ccc(-c2cn(CC(=O)Nc3ccc(Cl)cc3)nc2N2CCOCC2)cc1 ZINC000062006919 556764905 /nfs/dbraw/zinc/76/49/05/556764905.db2.gz OZJWUNNECDLOHX-UHFFFAOYSA-N 0 0 426.904 3.687 50 0 IHAARN Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 ZINC000062007358 556765702 /nfs/dbraw/zinc/76/57/02/556765702.db2.gz DZRSCWLMZARXTC-UHFFFAOYSA-N 0 0 429.476 3.570 50 0 IHAARN Cc1cc(C)n(CCN2CCN(C(=O)c3c(C)onc3-c3ccccc3Cl)CC2)n1 ZINC000062022062 556766049 /nfs/dbraw/zinc/76/60/49/556766049.db2.gz YSAHPMSEEYICRB-UHFFFAOYSA-N 0 0 427.936 3.575 50 0 IHAARN COc1cc(CCC2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc(OC)c1 ZINC000058166167 556766434 /nfs/dbraw/zinc/76/64/34/556766434.db2.gz JXPDZLSAMMEFIS-UHFFFAOYSA-N 0 0 428.573 3.524 50 0 IHAARN O=C(OCCOc1ccc(Cl)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000019471314 556768106 /nfs/dbraw/zinc/76/81/06/556768106.db2.gz CHZAWFABQPKYEP-INIZCTEOSA-N 0 0 426.943 3.855 50 0 IHAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc4nc(C)cn4c3)cc2)c1C ZINC000058175626 556769410 /nfs/dbraw/zinc/76/94/10/556769410.db2.gz BJHWAAKTDSDDFN-UHFFFAOYSA-N 0 0 431.496 3.803 50 0 IHAARN COc1ccccc1[C@@H](CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000058246426 556775325 /nfs/dbraw/zinc/77/53/25/556775325.db2.gz AXUPFOSQKNVZIS-LJQANCHMSA-N 0 0 442.503 3.971 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@@H](C)c3nc(-c4cccs4)no3)C2)cc1 ZINC000058305053 556778806 /nfs/dbraw/zinc/77/88/06/556778806.db2.gz QBHFPDIZTXWYSJ-DLBZAZTESA-N 0 0 446.598 3.858 50 0 IHAARN C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3nccn3CC(F)(F)F)cc2F)C[C@H](C)O1 ZINC000058315651 556780337 /nfs/dbraw/zinc/78/03/37/556780337.db2.gz XRWLMMPVXCCQOG-KBPBESRZSA-N 0 0 443.445 3.862 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc21 ZINC000058376881 556783720 /nfs/dbraw/zinc/78/37/20/556783720.db2.gz IRYFEAQYOPASAE-HUUCEWRRSA-N 0 0 426.492 3.992 50 0 IHAARN O=C([C@@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCC1 ZINC000058379758 556784394 /nfs/dbraw/zinc/78/43/94/556784394.db2.gz PMSLHLNXUKQHCG-OAQYLSRUSA-N 0 0 449.956 3.780 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc21 ZINC000058391153 556784458 /nfs/dbraw/zinc/78/44/58/556784458.db2.gz DXTSZELPKDXKFQ-LBPRGKRZSA-N 0 0 441.285 3.535 50 0 IHAARN O=C(/C=C/c1cc(Br)ccc1F)Nc1nc(CN2CCOCC2)cs1 ZINC000058416928 556786952 /nfs/dbraw/zinc/78/69/52/556786952.db2.gz WWAOXQLHEVLWMD-DAFODLJHSA-N 0 0 426.311 3.529 50 0 IHAARN Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccccc1 ZINC000072400912 556799538 /nfs/dbraw/zinc/79/95/38/556799538.db2.gz JOJWHOQIAZGAMB-ZZODWALSSA-N 0 0 430.555 3.752 50 0 IHAARN O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 ZINC000059421139 556800454 /nfs/dbraw/zinc/80/04/54/556800454.db2.gz HYRBFAWHQTVQBA-RUZDIDTESA-N 0 0 427.460 3.669 50 0 IHAARN COc1cc(CN(C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1OC(F)F ZINC000002654663 556802422 /nfs/dbraw/zinc/80/24/22/556802422.db2.gz JBZXMVBUXUWTAK-UHFFFAOYSA-N 0 0 430.354 3.689 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000060035184 556805983 /nfs/dbraw/zinc/80/59/83/556805983.db2.gz NRKXUGNEDNPOEC-ZDUSSCGKSA-N 0 0 438.229 3.947 50 0 IHAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(F)c1 ZINC000011202103 556809996 /nfs/dbraw/zinc/80/99/96/556809996.db2.gz KLBYZTLEUWIKIQ-AWEZNQCLSA-N 0 0 425.426 3.762 50 0 IHAARN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1Br ZINC000003298123 556811151 /nfs/dbraw/zinc/81/11/51/556811151.db2.gz PWSCVVYEXUQGPA-UHFFFAOYSA-N 0 0 428.069 3.991 50 0 IHAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCN(C(=O)Nc2cccc(F)c2C)C4)cc1 ZINC000097942018 556812721 /nfs/dbraw/zinc/81/27/21/556812721.db2.gz VIYYUZQVANEMFA-UHFFFAOYSA-N 0 0 447.470 3.736 50 0 IHAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000003348121 556813548 /nfs/dbraw/zinc/81/35/48/556813548.db2.gz WTTCWSHYMXLIRO-UHFFFAOYSA-N 0 0 449.488 3.978 50 0 IHAARN Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)o2)cs1 ZINC000003435388 556815501 /nfs/dbraw/zinc/81/55/01/556815501.db2.gz MTCKJVGBXMIOSA-UHFFFAOYSA-N 0 0 426.531 3.537 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 ZINC000003375856 556815975 /nfs/dbraw/zinc/81/59/75/556815975.db2.gz ZHTNBJAEEJQLJW-UHFFFAOYSA-N 0 0 440.521 3.533 50 0 IHAARN COc1ccc(-c2nc(Cn3cnc4nc5c(cc4c3=O)C[C@@H](C)CC5)c(C)o2)cc1OC ZINC000033059718 556816220 /nfs/dbraw/zinc/81/62/20/556816220.db2.gz DIRJRDQRNDXOJI-AWEZNQCLSA-N 0 0 446.507 3.945 50 0 IHAARN COc1ccc(Nc2nnc(SCC(=O)NCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000003500370 556816862 /nfs/dbraw/zinc/81/68/62/556816862.db2.gz SQLOPKQGZVFGSO-UHFFFAOYSA-N 0 0 446.554 3.716 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)c2c1 ZINC000033061671 556817229 /nfs/dbraw/zinc/81/72/29/556817229.db2.gz FAHZXGJFHYJMLU-UHFFFAOYSA-N 0 0 433.537 3.872 50 0 IHAARN CCOc1ccccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033062739 556817310 /nfs/dbraw/zinc/81/73/10/556817310.db2.gz DQVISPHPBUSZKU-UHFFFAOYSA-N 0 0 449.916 3.667 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003533469 556817405 /nfs/dbraw/zinc/81/74/05/556817405.db2.gz OPVHODNUOJHPGR-JTQLQIEISA-N 0 0 439.328 3.800 50 0 IHAARN Cc1cc(C)c(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c(C)c1 ZINC000033062957 556818289 /nfs/dbraw/zinc/81/82/89/556818289.db2.gz HMOGINGDMGVZSZ-UHFFFAOYSA-N 0 0 431.489 3.679 50 0 IHAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000060390596 556818527 /nfs/dbraw/zinc/81/85/27/556818527.db2.gz YHCNIUXMGJDCHT-OALUTQOASA-N 0 0 435.549 3.857 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000005538337 556822502 /nfs/dbraw/zinc/82/25/02/556822502.db2.gz IACGLSPUEXHODT-UHFFFAOYSA-N 0 0 425.558 3.965 50 0 IHAARN O=C([C@@H]1C[C@H](n2cnnn2)CN1Cc1cccc(Oc2ccccc2)c1)N1CCCCCC1 ZINC000064167358 556823160 /nfs/dbraw/zinc/82/31/60/556823160.db2.gz KMACJCYQCPPWOX-URXFXBBRSA-N 0 0 446.555 3.684 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000064816968 556827804 /nfs/dbraw/zinc/82/78/04/556827804.db2.gz XYOQENZLZFQOIZ-GOSISDBHSA-N 0 0 426.542 3.751 50 0 IHAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCCC2)nn1 ZINC000065362289 556834281 /nfs/dbraw/zinc/83/42/81/556834281.db2.gz GYEVWAWVXGSPDO-SFHVURJKSA-N 0 0 432.528 3.834 50 0 IHAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000065365501 556836009 /nfs/dbraw/zinc/83/60/09/556836009.db2.gz SMMPKJJDKFLNFM-GOSISDBHSA-N 0 0 432.528 3.832 50 0 IHAARN CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2cc3c(cc21)OCCO3 ZINC000334161137 556837036 /nfs/dbraw/zinc/83/70/36/556837036.db2.gz USMJECLQZIDDOC-UHFFFAOYSA-N 0 0 433.552 3.809 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cccnc2)n1CC ZINC000019643865 556838796 /nfs/dbraw/zinc/83/87/96/556838796.db2.gz AJNSUTUBZZINJW-UHFFFAOYSA-N 0 0 445.570 3.946 50 0 IHAARN COc1ccc(OCCCC(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000062639935 556841420 /nfs/dbraw/zinc/84/14/20/556841420.db2.gz PFHAPRBKQDQOAU-LJQANCHMSA-N 0 0 428.529 3.821 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C ZINC000019684016 556841688 /nfs/dbraw/zinc/84/16/88/556841688.db2.gz PUWRSINBFZCXSZ-UHFFFAOYSA-N 0 0 447.586 3.889 50 0 IHAARN O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000011215209 556843271 /nfs/dbraw/zinc/84/32/71/556843271.db2.gz XUOAVKINJRYPFV-OAQYLSRUSA-N 0 0 434.508 3.633 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)cc1 ZINC000008728121 556843824 /nfs/dbraw/zinc/84/38/24/556843824.db2.gz QDEGEBXITFUYMU-MRXNPFEDSA-N 0 0 448.552 3.502 50 0 IHAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000033069346 556850846 /nfs/dbraw/zinc/85/08/46/556850846.db2.gz HDNGFIACYBIBGG-UHFFFAOYSA-N 0 0 425.577 3.908 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c1OC ZINC000033071200 556851484 /nfs/dbraw/zinc/85/14/84/556851484.db2.gz HLBOPTJSVXGIET-UHFFFAOYSA-N 0 0 428.920 3.766 50 0 IHAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071327 556852062 /nfs/dbraw/zinc/85/20/62/556852062.db2.gz LINRWOIPVIOMLW-CQSZACIVSA-N 0 0 431.309 3.997 50 0 IHAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000033072479 556852241 /nfs/dbraw/zinc/85/22/41/556852241.db2.gz VQCLDVUOVVMGPE-UHFFFAOYSA-N 0 0 440.551 3.546 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)N(C)Cc5ccco5)CC4)c32)cc1 ZINC000033084959 556855035 /nfs/dbraw/zinc/85/50/35/556855035.db2.gz ODPCXKOGZXJVCG-UHFFFAOYSA-N 0 0 447.495 3.761 50 0 IHAARN COc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 ZINC000033087819 556855446 /nfs/dbraw/zinc/85/54/46/556855446.db2.gz MUTNOQJIFDMPEU-UHFFFAOYSA-N 0 0 445.566 3.533 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087814 556855537 /nfs/dbraw/zinc/85/55/37/556855537.db2.gz RVQWYFNMLQJUJU-UHFFFAOYSA-N 0 0 447.557 3.972 50 0 IHAARN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 ZINC000033086496 556857247 /nfs/dbraw/zinc/85/72/47/556857247.db2.gz QYJQJPCRMKWRKK-UHFFFAOYSA-N 0 0 427.482 3.900 50 0 IHAARN CCCCCCNC(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004668248 556862360 /nfs/dbraw/zinc/86/23/60/556862360.db2.gz UFGWOCVQELVBDG-UHFFFAOYSA-N 0 0 428.529 3.953 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000033122606 556863694 /nfs/dbraw/zinc/86/36/94/556863694.db2.gz HIYGFHSNCGQENB-UHFFFAOYSA-N 0 0 437.949 3.632 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(SC)cc1 ZINC000033124798 556864248 /nfs/dbraw/zinc/86/42/48/556864248.db2.gz JLROASRMTISICD-IBGZPJMESA-N 0 0 427.501 3.567 50 0 IHAARN COc1cc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc(OC)c1 ZINC000033128281 556865611 /nfs/dbraw/zinc/86/56/11/556865611.db2.gz GTYUMZDHKMATIR-HNNXBMFYSA-N 0 0 425.510 3.677 50 0 IHAARN CN1CCN(C(=S)Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 ZINC000019707146 556866210 /nfs/dbraw/zinc/86/62/10/556866210.db2.gz NOLBQRHSCDLQPU-UHFFFAOYSA-N 0 0 437.598 3.983 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000033125013 556866225 /nfs/dbraw/zinc/86/62/25/556866225.db2.gz CCEZGGUQEHNANY-OAHLLOKOSA-N 0 0 441.459 3.575 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033125388 556866498 /nfs/dbraw/zinc/86/64/98/556866498.db2.gz NYDYFUWFAGNPAN-OAHLLOKOSA-N 0 0 427.888 3.917 50 0 IHAARN O=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033126025 556866744 /nfs/dbraw/zinc/86/67/44/556866744.db2.gz BNXBAQHRDRJJRN-UHFFFAOYSA-N 0 0 427.998 3.763 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCCc2cccs2)cc1 ZINC000033126218 556866970 /nfs/dbraw/zinc/86/69/70/556866970.db2.gz ABTOHAAVMROMHZ-UHFFFAOYSA-N 0 0 438.621 3.797 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccccc2F)cc1 ZINC000033126212 556867045 /nfs/dbraw/zinc/86/70/45/556867045.db2.gz BOZFAKMIQREUID-UHFFFAOYSA-N 0 0 436.555 3.832 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)CC1 ZINC000033129603 556868789 /nfs/dbraw/zinc/86/87/89/556868789.db2.gz WXPQLSYVLTWNGW-UHFFFAOYSA-N 0 0 446.438 3.734 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1OC ZINC000033140837 556876524 /nfs/dbraw/zinc/87/65/24/556876524.db2.gz UGGDALNHELEIFF-UHFFFAOYSA-N 0 0 434.496 3.558 50 0 IHAARN Cc1csc(CN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)n1 ZINC000019743519 556888228 /nfs/dbraw/zinc/88/82/28/556888228.db2.gz KTUQKRHAMCMABI-UHFFFAOYSA-N 0 0 432.615 3.758 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccccc32)cc1Cl ZINC000033249392 556889165 /nfs/dbraw/zinc/88/91/65/556889165.db2.gz SASYITVTVXWBHM-UHFFFAOYSA-N 0 0 430.913 3.966 50 0 IHAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249345 556889176 /nfs/dbraw/zinc/88/91/76/556889176.db2.gz IWNMTNHBMMMYFC-UHFFFAOYSA-N 0 0 444.940 3.756 50 0 IHAARN CCOc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000033254572 556890842 /nfs/dbraw/zinc/89/08/42/556890842.db2.gz ILUWUYUQJSKZFM-UHFFFAOYSA-N 0 0 430.570 3.501 50 0 IHAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033250374 556891294 /nfs/dbraw/zinc/89/12/94/556891294.db2.gz QZUBKXCVAWKWTA-UHFFFAOYSA-N 0 0 428.945 3.972 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)nc1 ZINC000072139994 556899316 /nfs/dbraw/zinc/89/93/16/556899316.db2.gz MLXKUAJBYZLMAP-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN COc1ccc(OC)c(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000033263674 556902433 /nfs/dbraw/zinc/90/24/33/556902433.db2.gz VNTYLCPMUOAUEO-UHFFFAOYSA-N 0 0 431.496 3.861 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2C(C)C)CC1 ZINC000010664935 556912449 /nfs/dbraw/zinc/91/24/49/556912449.db2.gz UUNXFGMXNQRYJB-UHFFFAOYSA-N 0 0 433.574 3.685 50 0 IHAARN O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 ZINC000019770355 556912904 /nfs/dbraw/zinc/91/29/04/556912904.db2.gz YLPNMGQEJSGGBT-UHFFFAOYSA-N 0 0 427.298 3.514 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)C)C3 ZINC000019789554 556914581 /nfs/dbraw/zinc/91/45/81/556914581.db2.gz KPENHIYAZYPOQP-UHFFFAOYSA-N 0 0 443.594 3.538 50 0 IHAARN O=C(N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019800067 556917190 /nfs/dbraw/zinc/91/71/90/556917190.db2.gz NCLSRMNJNUCELB-WCQYABFASA-N 0 0 430.557 3.644 50 0 IHAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019809775 556918534 /nfs/dbraw/zinc/91/85/34/556918534.db2.gz JBAXUKHYMJRXQT-KRWDZBQOSA-N 0 0 427.570 3.823 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000019809425 556918567 /nfs/dbraw/zinc/91/85/67/556918567.db2.gz KXGOGENTWLGAIM-QFIPXVFZSA-N 0 0 432.524 3.863 50 0 IHAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000019811388 556919118 /nfs/dbraw/zinc/91/91/18/556919118.db2.gz FQUMUROXHFNPAT-VXKWHMMOSA-N 0 0 428.941 3.900 50 0 IHAARN O=C1NN=C(CS(=O)(=O)c2ccc(Br)c3ccccc32)Oc2ccccc21 ZINC000019823953 556925442 /nfs/dbraw/zinc/92/54/42/556925442.db2.gz OJFPJMCBZMUTRX-UHFFFAOYSA-N 0 0 445.294 3.512 50 0 IHAARN CC(=O)c1ccccc1C(=O)N1CCC2(CC[C@H](CNC(=O)C3CCCCC3)O2)CC1 ZINC000019838978 556929201 /nfs/dbraw/zinc/92/92/01/556929201.db2.gz KBTYGNGMBRBCNP-HXUWFJFHSA-N 0 0 426.557 3.740 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 ZINC000019859673 556932059 /nfs/dbraw/zinc/93/20/59/556932059.db2.gz FECWGWRXSCUBCS-MRXNPFEDSA-N 0 0 436.961 3.919 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O ZINC000019861559 556933725 /nfs/dbraw/zinc/93/37/25/556933725.db2.gz ZNGNCMCDFXRISH-QFIPXVFZSA-N 0 0 436.483 3.508 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1Cl ZINC000019862749 556933926 /nfs/dbraw/zinc/93/39/26/556933926.db2.gz SIYWJVLHVKPARF-HNNXBMFYSA-N 0 0 440.924 3.668 50 0 IHAARN O=S(=O)(NCCc1csc(-c2ccccn2)n1)c1ccc(Br)s1 ZINC000019942426 556953671 /nfs/dbraw/zinc/95/36/71/556953671.db2.gz HVKDTAKPYVMJAC-UHFFFAOYSA-N 0 0 430.374 3.550 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000019962108 556955660 /nfs/dbraw/zinc/95/56/60/556955660.db2.gz QNWLCWNZNIWTDM-OAQYLSRUSA-N 0 0 427.464 3.557 50 0 IHAARN CCc1nn2c(ncc3c2ccn(-c2nc(SC)n[nH]2)c3=O)c1-c1cccc(Cl)c1 ZINC000019962610 556955893 /nfs/dbraw/zinc/95/58/93/556955893.db2.gz ZQDJNSXWIICGBQ-UHFFFAOYSA-N 0 0 437.916 3.756 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)ccc1F ZINC000020035031 556969659 /nfs/dbraw/zinc/96/96/59/556969659.db2.gz MCNMWGBEZJFXGY-CQSZACIVSA-N 0 0 447.488 3.824 50 0 IHAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(OC)c(OC)c3)c2)C1 ZINC000033264059 556972086 /nfs/dbraw/zinc/97/20/86/556972086.db2.gz DZVWOTUAMCEERP-HXUWFJFHSA-N 0 0 425.529 3.543 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000072446772 556973352 /nfs/dbraw/zinc/97/33/52/556973352.db2.gz SHEZVALZENTGAD-UHFFFAOYSA-N 0 0 448.596 3.861 50 0 IHAARN COc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)c(OC)c1 ZINC000033264319 556973954 /nfs/dbraw/zinc/97/39/54/556973954.db2.gz ZEBGPBUFQCPMLN-OAQYLSRUSA-N 0 0 439.556 3.931 50 0 IHAARN CC(C)(C)NC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2F)c1 ZINC000033264990 556974885 /nfs/dbraw/zinc/97/48/85/556974885.db2.gz ZGYZKUIQSZRYGM-UHFFFAOYSA-N 0 0 440.544 3.948 50 0 IHAARN COC(=O)[C@H](C)Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057745 556975262 /nfs/dbraw/zinc/97/52/62/556975262.db2.gz KDNZPNKEXMKGCL-LBPRGKRZSA-N 0 0 444.582 3.609 50 0 IHAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)N(C)c2cccc(C)c2)cc1 ZINC000033265316 556975768 /nfs/dbraw/zinc/97/57/68/556975768.db2.gz PPXIVPVPZDBVMU-UHFFFAOYSA-N 0 0 447.564 3.550 50 0 IHAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)c(=O)n2C ZINC000033265665 556976391 /nfs/dbraw/zinc/97/63/91/556976391.db2.gz MJGSIEBHOZBXQP-UHFFFAOYSA-N 0 0 445.475 3.681 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)O2)c1 ZINC000096814900 556977731 /nfs/dbraw/zinc/97/77/31/556977731.db2.gz JQRSFXOWQAQABS-CPNJWEJPSA-N 0 0 440.452 3.681 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000020068887 556978444 /nfs/dbraw/zinc/97/84/44/556978444.db2.gz ZZGPAPHKRUNMKG-DLBZAZTESA-N 0 0 433.896 3.785 50 0 IHAARN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086311 556979065 /nfs/dbraw/zinc/97/90/65/556979065.db2.gz CJKTYALAAYPEMR-HXUWFJFHSA-N 0 0 433.464 3.575 50 0 IHAARN CSc1nc(N)c2c(n1)N=C1COC(=O)C1[C@H]2c1cccc(OCc2ccccc2)c1 ZINC000020086862 556979243 /nfs/dbraw/zinc/97/92/43/556979243.db2.gz IZKVXIFJJIYXRX-QGZVFWFLSA-N 0 0 432.505 3.728 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000033268542 556985158 /nfs/dbraw/zinc/98/51/58/556985158.db2.gz ALXJRESDZPYNCQ-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H](c1cccnc1)N(C)C2=O ZINC000020113792 556986921 /nfs/dbraw/zinc/98/69/21/556986921.db2.gz AJQUPUDDSQWYMM-OYYQPBACSA-N 0 0 437.540 3.514 50 0 IHAARN COc1ccc(-c2nc(CN3CCC(C(=O)N4CCCCC4)CC3)c(C)o2)c(OC)c1 ZINC000020119837 556987520 /nfs/dbraw/zinc/98/75/20/556987520.db2.gz QTOJETCKAHPTGI-UHFFFAOYSA-N 0 0 427.545 3.892 50 0 IHAARN O=S(=O)(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2CC1 ZINC000097162124 556994025 /nfs/dbraw/zinc/99/40/25/556994025.db2.gz YZTTVRAKDVQEDA-GOSISDBHSA-N 0 0 434.443 3.820 50 0 IHAARN O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 ZINC000020227644 557000927 /nfs/dbraw/zinc/00/09/27/557000927.db2.gz NOQVTQFAPWVUCH-UHFFFAOYSA-N 0 0 446.576 3.964 50 0 IHAARN CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC3(CC2)OCCO3)cc1 ZINC000023109700 557003194 /nfs/dbraw/zinc/00/31/94/557003194.db2.gz BTAWDPIJZPULLJ-UHFFFAOYSA-N 0 0 438.549 3.973 50 0 IHAARN COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036311517 557009200 /nfs/dbraw/zinc/00/92/00/557009200.db2.gz YPQJRLIHWPVDOY-DEOSSOPVSA-N 0 0 435.568 3.959 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1cc(Cl)ccc1OC ZINC000072453389 557009721 /nfs/dbraw/zinc/00/97/21/557009721.db2.gz PKOURIHOHYTXAB-KRWDZBQOSA-N 0 0 440.887 3.881 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000020356800 557010864 /nfs/dbraw/zinc/01/08/64/557010864.db2.gz LRGBTCGIDJBQFQ-MVHLYKQMSA-N 0 0 437.587 3.530 50 0 IHAARN Cc1ccccc1-c1noc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)n1 ZINC000023126920 557011608 /nfs/dbraw/zinc/01/16/08/557011608.db2.gz FSKAFINURKPJLH-UHFFFAOYSA-N 0 0 438.487 3.813 50 0 IHAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccc(F)cc5)n4ccn3n2)cc1 ZINC000045971357 557014310 /nfs/dbraw/zinc/01/43/10/557014310.db2.gz HFWWZABUHKPQFM-UHFFFAOYSA-N 0 0 446.511 3.900 50 0 IHAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1 ZINC000045994480 557014578 /nfs/dbraw/zinc/01/45/78/557014578.db2.gz HDGYLSGPQBMJMM-UHFFFAOYSA-N 0 0 427.460 3.983 50 0 IHAARN COc1cccc(CSc2nc(CC(=O)NCc3ccccc3Cl)cc(=O)[nH]2)c1 ZINC000023138160 557018535 /nfs/dbraw/zinc/01/85/35/557018535.db2.gz PNUXXPABHBXIPB-UHFFFAOYSA-N 0 0 429.929 3.995 50 0 IHAARN O=C(CNC(=O)NCc1ccccc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010698506 557019050 /nfs/dbraw/zinc/01/90/50/557019050.db2.gz VTQITTBAIYJVRG-QFIPXVFZSA-N 0 0 426.520 3.915 50 0 IHAARN Cc1nn(CCC(=O)Nc2cc(C)ccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004444 557019459 /nfs/dbraw/zinc/01/94/59/557019459.db2.gz DOSWJSDKYCJXID-UHFFFAOYSA-N 0 0 432.590 3.566 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1O ZINC000046017219 557020480 /nfs/dbraw/zinc/02/04/80/557020480.db2.gz LYQCCQZDQFZTJP-INIZCTEOSA-N 0 0 437.521 3.569 50 0 IHAARN CCCNC(=O)Cn1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)CSC2 ZINC000023138775 557022118 /nfs/dbraw/zinc/02/21/18/557022118.db2.gz UZSKMQWIULWXJR-UHFFFAOYSA-N 0 0 434.565 3.927 50 0 IHAARN COc1ccccc1N1CCN(c2c3c(nc4nc(-c5ccc(C)cc5)nn42)CCC3)CC1 ZINC000046022864 557022519 /nfs/dbraw/zinc/02/25/19/557022519.db2.gz MYDWZZYVAWDBOM-UHFFFAOYSA-N 0 0 440.551 3.924 50 0 IHAARN O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)N1CCc2ccccc21 ZINC000023140090 557022776 /nfs/dbraw/zinc/02/27/76/557022776.db2.gz NYDGNZRRBMEVPL-UHFFFAOYSA-N 0 0 437.594 3.546 50 0 IHAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c2c(c1=O)CCCC2 ZINC000046027560 557023577 /nfs/dbraw/zinc/02/35/77/557023577.db2.gz KTVNPZYNZQEIFN-UHFFFAOYSA-N 0 0 429.586 3.682 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccc(Cl)cc1)CSC2)NCc1ccccc1 ZINC000023139497 557024278 /nfs/dbraw/zinc/02/42/78/557024278.db2.gz JFTGUVQANWIZKY-UHFFFAOYSA-N 0 0 426.929 3.852 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010752665 557025031 /nfs/dbraw/zinc/02/50/31/557025031.db2.gz UVZJLIPXVAZXON-HNNXBMFYSA-N 0 0 433.580 3.911 50 0 IHAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 ZINC000023143285 557025183 /nfs/dbraw/zinc/02/51/83/557025183.db2.gz ZRDYSZKXYVCVHH-UHFFFAOYSA-N 0 0 446.507 3.794 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1OC ZINC000046044237 557025421 /nfs/dbraw/zinc/02/54/21/557025421.db2.gz QJMFWJXLONLRSQ-QGZVFWFLSA-N 0 0 430.932 3.916 50 0 IHAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)OCc1ccc(F)cc1Br ZINC000010776719 557025643 /nfs/dbraw/zinc/02/56/43/557025643.db2.gz LBZFIKMWXDAHRE-UHFFFAOYSA-N 0 0 431.217 3.788 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 ZINC000046058074 557029191 /nfs/dbraw/zinc/02/91/91/557029191.db2.gz XSYUBRKCVGLLRO-UHFFFAOYSA-N 0 0 432.523 3.726 50 0 IHAARN O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010811777 557029433 /nfs/dbraw/zinc/02/94/33/557029433.db2.gz ANOIQLJAXVTWLB-NSHDSACASA-N 0 0 431.992 3.529 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 ZINC000046058720 557029409 /nfs/dbraw/zinc/02/94/09/557029409.db2.gz JPHOKYUBHULGSC-UHFFFAOYSA-N 0 0 430.551 3.507 50 0 IHAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(OC)cc3OC)cc2c1 ZINC000046058397 557029430 /nfs/dbraw/zinc/02/94/30/557029430.db2.gz IIDHVVOFIBUZEK-UHFFFAOYSA-N 0 0 434.539 3.957 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046074713 557030992 /nfs/dbraw/zinc/03/09/92/557030992.db2.gz LPTVJRYGMGPBLS-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000046074833 557031073 /nfs/dbraw/zinc/03/10/73/557031073.db2.gz BVWTVELQGNLXAX-SFHVURJKSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[nH]c(=O)c21 ZINC000046075246 557031494 /nfs/dbraw/zinc/03/14/94/557031494.db2.gz ZENUKFAPGYYCRL-AWEZNQCLSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000046074912 557031500 /nfs/dbraw/zinc/03/15/00/557031500.db2.gz KFSKREGGPJWPSA-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)CC2=O)c1C ZINC000072104951 557031926 /nfs/dbraw/zinc/03/19/26/557031926.db2.gz GUCQHCCMGJRCPB-HNNXBMFYSA-N 0 0 425.554 3.724 50 0 IHAARN Cc1cc(=O)c(C(=O)OCc2ccc(F)cc2Br)nn1-c1ccccc1F ZINC000011271205 557033068 /nfs/dbraw/zinc/03/30/68/557033068.db2.gz KUWARIDOKHGFIO-UHFFFAOYSA-N 0 0 435.224 3.939 50 0 IHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000017190386 557035731 /nfs/dbraw/zinc/03/57/31/557035731.db2.gz BMWHALNZEJFWTK-QHCPKHFHSA-N 0 0 447.510 3.848 50 0 IHAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1OC ZINC000010869422 557044572 /nfs/dbraw/zinc/04/45/72/557044572.db2.gz APZVYUMHNSABBG-RMKNXTFCSA-N 0 0 434.286 3.970 50 0 IHAARN CCCCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 ZINC000017270992 557048933 /nfs/dbraw/zinc/04/89/33/557048933.db2.gz UGSDYGTUMGMVKC-UHFFFAOYSA-N 0 0 427.526 3.680 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c1 ZINC000022931906 557050608 /nfs/dbraw/zinc/05/06/08/557050608.db2.gz JRGBZLDHBQVOEC-UHFFFAOYSA-N 0 0 425.554 3.675 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245228423 557051545 /nfs/dbraw/zinc/05/15/45/557051545.db2.gz XDIKRBALKWNFBN-VNHYZAJKSA-N 0 0 436.961 3.911 50 0 IHAARN CC1CCN(C(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccccc4)no3)cc2)CC1 ZINC000033273485 557051782 /nfs/dbraw/zinc/05/17/82/557051782.db2.gz IMFXXVUZNNNBBD-UHFFFAOYSA-N 0 0 432.524 3.923 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000033273399 557051788 /nfs/dbraw/zinc/05/17/88/557051788.db2.gz FRDBMGGTOLEWQY-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN Cc1cccc(CC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c1 ZINC000033273613 557051826 /nfs/dbraw/zinc/05/18/26/557051826.db2.gz GGSDEKHQHZFXDG-UHFFFAOYSA-N 0 0 432.524 3.525 50 0 IHAARN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000022959184 557054769 /nfs/dbraw/zinc/05/47/69/557054769.db2.gz SIWBPYMDWZUBPK-UHFFFAOYSA-N 0 0 430.433 3.666 50 0 IHAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000022977098 557055465 /nfs/dbraw/zinc/05/54/65/557055465.db2.gz WRCUGYZAYRGJPT-UHFFFAOYSA-N 0 0 434.521 3.508 50 0 IHAARN CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C1=O ZINC000048285993 557058183 /nfs/dbraw/zinc/05/81/83/557058183.db2.gz BDPLJUGCVGDQAC-UHFFFAOYSA-N 0 0 435.524 3.577 50 0 IHAARN CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)sc2c1 ZINC000023054917 557060491 /nfs/dbraw/zinc/06/04/91/557060491.db2.gz RJTZVPVAUKNKFO-MRXNPFEDSA-N 0 0 445.566 3.568 50 0 IHAARN COc1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC ZINC000017333750 557060653 /nfs/dbraw/zinc/06/06/53/557060653.db2.gz FBGIADBEACPWOI-UHFFFAOYSA-N 0 0 439.839 3.863 50 0 IHAARN O=C(CCc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000048300728 557062398 /nfs/dbraw/zinc/06/23/98/557062398.db2.gz JLGXSYQYTPWCNL-UHFFFAOYSA-N 0 0 440.487 3.698 50 0 IHAARN COc1cc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(OC)cc1NC(=O)c1ccccc1 ZINC000023123571 557065246 /nfs/dbraw/zinc/06/52/46/557065246.db2.gz RGLCVXDCMXQNBU-QFIPXVFZSA-N 0 0 446.459 3.676 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)CC2=O)cc1 ZINC000033281794 557067419 /nfs/dbraw/zinc/06/74/19/557067419.db2.gz PBJBIHXOSQUYEO-LJQANCHMSA-N 0 0 446.507 3.504 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2cccc(C)c2)no1 ZINC000048326569 557068680 /nfs/dbraw/zinc/06/86/80/557068680.db2.gz QTRJSKZUSJNALJ-LJQANCHMSA-N 0 0 437.496 3.725 50 0 IHAARN COc1cccc([C@@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 ZINC000048342264 557071031 /nfs/dbraw/zinc/07/10/31/557071031.db2.gz GOJMGXOMMKGWMT-DHIUTWEWSA-N 0 0 444.959 3.792 50 0 IHAARN COc1ccc(Br)cc1-c1nc(CN2CCN(c3cnccn3)CC2)cs1 ZINC000048354397 557072639 /nfs/dbraw/zinc/07/26/39/557072639.db2.gz URODIDMWLCVNEK-UHFFFAOYSA-N 0 0 446.374 3.693 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023198317 557072910 /nfs/dbraw/zinc/07/29/10/557072910.db2.gz ASXJFQKPDGUKGO-UHFFFAOYSA-N 0 0 426.504 3.918 50 0 IHAARN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)cc1 ZINC000048361856 557074374 /nfs/dbraw/zinc/07/43/74/557074374.db2.gz NNEJGZTWQCSBFQ-UHFFFAOYSA-N 0 0 430.505 3.978 50 0 IHAARN CCCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nccc4c(C)nn(C)c43)C2)cc1 ZINC000033299159 557075751 /nfs/dbraw/zinc/07/57/51/557075751.db2.gz NVTCRLYQGFYRJI-HXUWFJFHSA-N 0 0 435.572 3.988 50 0 IHAARN O=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)NCc1ccc(F)cc1 ZINC000033293221 557076242 /nfs/dbraw/zinc/07/62/42/557076242.db2.gz CUIFFEASGXCQBK-UHFFFAOYSA-N 0 0 438.846 3.674 50 0 IHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCCc2ccccc2)cc1 ZINC000048991239 557080801 /nfs/dbraw/zinc/08/08/01/557080801.db2.gz QKHNIIMHEFKJAD-UHFFFAOYSA-N 0 0 444.578 3.944 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(Cc4ccccc4)c3=O)n2)cc1C ZINC000048985912 557081985 /nfs/dbraw/zinc/08/19/85/557081985.db2.gz DOUGELMBFOOTRM-UHFFFAOYSA-N 0 0 444.516 3.988 50 0 IHAARN COc1cc2c(cc1NC(=O)CSc1nnnn1Cc1ccco1)oc1ccccc12 ZINC000011306620 557082212 /nfs/dbraw/zinc/08/22/12/557082212.db2.gz CKLUGQMEXWWRKX-UHFFFAOYSA-N 0 0 435.465 3.953 50 0 IHAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccccc3OC)c2c1=O ZINC000048987147 557082562 /nfs/dbraw/zinc/08/25/62/557082562.db2.gz MFJZIVGWHNEIEZ-UHFFFAOYSA-N 0 0 444.535 3.990 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)CC1CCCC1)CC2 ZINC000072280531 557082748 /nfs/dbraw/zinc/08/27/48/557082748.db2.gz WFTOXFVPHVZBQY-DEOSSOPVSA-N 0 0 442.581 3.936 50 0 IHAARN Cc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000033300935 557082817 /nfs/dbraw/zinc/08/28/17/557082817.db2.gz WJMBJGZOUVLLKJ-UHFFFAOYSA-N 0 0 445.504 3.897 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCSCC3)n2)cc1 ZINC000049006552 557085015 /nfs/dbraw/zinc/08/50/15/557085015.db2.gz UWSRIWSFAVIJHL-UHFFFAOYSA-N 0 0 436.537 3.529 50 0 IHAARN O=C(NCc1ccco1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006497 557085083 /nfs/dbraw/zinc/08/50/83/557085083.db2.gz OUNUUYIJAQQZEL-UHFFFAOYSA-N 0 0 429.480 3.924 50 0 IHAARN O=C1CCCN1c1ccc(Cn2cc(-c3nc(-c4cccc(F)c4)no3)ccc2=O)cc1 ZINC000049007471 557085996 /nfs/dbraw/zinc/08/59/96/557085996.db2.gz NLIOMDSIWVWJJT-UHFFFAOYSA-N 0 0 430.439 3.880 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21 ZINC000049008039 557086012 /nfs/dbraw/zinc/08/60/12/557086012.db2.gz AVLHCXHMJGAEGU-UHFFFAOYSA-N 0 0 432.524 3.578 50 0 IHAARN O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1 ZINC000033307198 557086478 /nfs/dbraw/zinc/08/64/78/557086478.db2.gz RMSOIOLPAWZYDK-UHFFFAOYSA-N 0 0 428.448 3.684 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000049009033 557086843 /nfs/dbraw/zinc/08/68/43/557086843.db2.gz OBLWMNOWKWECKW-UHFFFAOYSA-N 0 0 449.536 3.696 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049025917 557087848 /nfs/dbraw/zinc/08/78/48/557087848.db2.gz LZKHOELUQGWQML-CYBMUJFWSA-N 0 0 435.377 3.825 50 0 IHAARN CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1 ZINC000017440252 557088123 /nfs/dbraw/zinc/08/81/23/557088123.db2.gz NVZRRLSPURDPFK-UHFFFAOYSA-N 0 0 449.627 3.721 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@@H]3CCO4)CC2=O)cc1 ZINC000049030378 557089029 /nfs/dbraw/zinc/08/90/29/557089029.db2.gz VZGZZJNGJVZKGQ-UYAOXDASSA-N 0 0 447.535 3.764 50 0 IHAARN CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000033308881 557089803 /nfs/dbraw/zinc/08/98/03/557089803.db2.gz SFRJONRLLLOJRW-UHFFFAOYSA-N 0 0 437.569 3.535 50 0 IHAARN Cc1cc(-c2cc(C(=O)NCCCN3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000023403920 557090584 /nfs/dbraw/zinc/09/05/84/557090584.db2.gz LGEKQFYKNOEMEY-UHFFFAOYSA-N 0 0 441.601 3.810 50 0 IHAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1=O ZINC000010910445 557091233 /nfs/dbraw/zinc/09/12/33/557091233.db2.gz PIVBGTHAYFAWTA-UHFFFAOYSA-N 0 0 442.608 3.565 50 0 IHAARN COc1cc(OC)cc(-c2noc(CCn3nc(-c4ccc(Cl)cc4)ccc3=O)n2)c1 ZINC000033309657 557092387 /nfs/dbraw/zinc/09/23/87/557092387.db2.gz KXIOEHSNOMIDHN-UHFFFAOYSA-N 0 0 438.871 3.874 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3F)CC2)C1 ZINC000023441253 557092480 /nfs/dbraw/zinc/09/24/80/557092480.db2.gz XOFYHUQGLRWECM-HXUWFJFHSA-N 0 0 443.950 3.676 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ncn3n2)c(C)c1 ZINC000049004314 557092592 /nfs/dbraw/zinc/09/25/92/557092592.db2.gz DXNVDAGABLVFCY-UHFFFAOYSA-N 0 0 432.871 3.927 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1Cl ZINC000049004241 557092613 /nfs/dbraw/zinc/09/26/13/557092613.db2.gz JJOOOQWMNQHBKW-UHFFFAOYSA-N 0 0 440.931 3.934 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023467215 557093171 /nfs/dbraw/zinc/09/31/71/557093171.db2.gz RVJHSLCCHMGGLH-HNNXBMFYSA-N 0 0 446.935 3.540 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033311397 557095563 /nfs/dbraw/zinc/09/55/63/557095563.db2.gz YQALLXAXIUCHHW-NRFANRHFSA-N 0 0 436.552 3.791 50 0 IHAARN O=C(CSc1ccc(Br)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011341050 557100845 /nfs/dbraw/zinc/10/08/45/557100845.db2.gz ZOJXFYHSGLEHJP-INIZCTEOSA-N 0 0 440.384 3.762 50 0 IHAARN CCCCN1c2ccc(NC(=O)C3CC3)cc2S(=O)(=O)N=C1c1ccc(OC)cc1 ZINC000085406603 557101224 /nfs/dbraw/zinc/10/12/24/557101224.db2.gz QKXRNUVLYCCZIJ-UHFFFAOYSA-N 0 0 427.526 3.799 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)c1C ZINC000023635255 557101799 /nfs/dbraw/zinc/10/17/99/557101799.db2.gz JFWPSSZEOUBIGA-UHFFFAOYSA-N 0 0 430.482 3.916 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2c(Nc2ccc(F)cc2)n1 ZINC000049410647 557105839 /nfs/dbraw/zinc/10/58/39/557105839.db2.gz VIDBEOZQODHDRE-UHFFFAOYSA-N 0 0 444.829 3.513 50 0 IHAARN CCOC(=O)[C@@H](CC(C)C)NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000004772802 557106046 /nfs/dbraw/zinc/10/60/46/557106046.db2.gz KSDXAESPAOYKPE-LSSXRZCCSA-N 0 0 426.488 3.691 50 0 IHAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1nc(N)nc(N)n1 ZINC000017663666 557106248 /nfs/dbraw/zinc/10/62/48/557106248.db2.gz DKISCJRJTQMIBK-UHFFFAOYSA-N 0 0 434.957 3.513 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3ccccc3Cl)S(=O)(=O)c3cccnc32)cc1 ZINC000049411409 557106401 /nfs/dbraw/zinc/10/64/01/557106401.db2.gz FWCOVNXLVKFADW-UHFFFAOYSA-N 0 0 442.928 3.782 50 0 IHAARN CCc1ccccc1NC(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O ZINC000049411423 557106430 /nfs/dbraw/zinc/10/64/30/557106430.db2.gz FWKLDFHCRKKALG-UHFFFAOYSA-N 0 0 436.537 3.691 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3cc(C)ccc3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411457 557106638 /nfs/dbraw/zinc/10/66/38/557106638.db2.gz CTCSUQVIYTXWPN-UHFFFAOYSA-N 0 0 436.537 3.745 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 ZINC000023696672 557107219 /nfs/dbraw/zinc/10/72/19/557107219.db2.gz DXWOELJMQBCKKL-UHFFFAOYSA-N 0 0 425.510 3.560 50 0 IHAARN CS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3nc4c(cccc4F)s3)CC2)c1 ZINC000049432555 557109903 /nfs/dbraw/zinc/10/99/03/557109903.db2.gz DJQACAJMRAQBDR-UHFFFAOYSA-N 0 0 434.514 3.523 50 0 IHAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000049550939 557113214 /nfs/dbraw/zinc/11/32/14/557113214.db2.gz KBKMVFKDKIIQGL-ZDUSSCGKSA-N 0 0 428.901 3.762 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361415 557113530 /nfs/dbraw/zinc/11/35/30/557113530.db2.gz SZPBPAHONCZFAR-UHFFFAOYSA-N 0 0 430.464 3.887 50 0 IHAARN CN1CCc2nc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)sc2C1 ZINC000023746248 557114074 /nfs/dbraw/zinc/11/40/74/557114074.db2.gz PCEWJFCQQNTZBD-UHFFFAOYSA-N 0 0 433.537 3.698 50 0 IHAARN CC(C)[C@@H](C(=O)Nc1ccc(I)cc1)N1C(=O)c2ccccc2C1=O ZINC000000637083 557114281 /nfs/dbraw/zinc/11/42/81/557114281.db2.gz WJEGKBCOYFPQLY-INIZCTEOSA-N 0 0 448.260 3.551 50 0 IHAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3N)oc21 ZINC000000687531 557114723 /nfs/dbraw/zinc/11/47/23/557114723.db2.gz CMNNSWWBZFFIQJ-UHFFFAOYSA-N 0 0 429.889 3.798 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000023777595 557115687 /nfs/dbraw/zinc/11/56/87/557115687.db2.gz MESIKEMYPMDWEF-GHTZIAJQSA-N 0 0 435.503 3.709 50 0 IHAARN CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000023224731 557116306 /nfs/dbraw/zinc/11/63/06/557116306.db2.gz GUSPVTVHRMDSBO-NRFANRHFSA-N 0 0 430.564 3.702 50 0 IHAARN COc1cc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc(OC)c1OC ZINC000000812121 557116369 /nfs/dbraw/zinc/11/63/69/557116369.db2.gz OHHMXXPJJHXWKK-UHFFFAOYSA-N 0 0 439.497 3.748 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023819075 557118756 /nfs/dbraw/zinc/11/87/56/557118756.db2.gz AUPJCTVADDBBIV-UHFFFAOYSA-N 0 0 442.903 3.611 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C ZINC000001131806 557118988 /nfs/dbraw/zinc/11/89/88/557118988.db2.gz OJYWYHPGRKRVPY-UHFFFAOYSA-N 0 0 447.923 3.577 50 0 IHAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1 ZINC000015864548 557119042 /nfs/dbraw/zinc/11/90/42/557119042.db2.gz WQLNMJBHTNCXIY-UHFFFAOYSA-N 0 0 446.550 3.510 50 0 IHAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023230400 557119376 /nfs/dbraw/zinc/11/93/76/557119376.db2.gz FHCCVUVRMLGWKL-UHFFFAOYSA-N 0 0 448.519 3.764 50 0 IHAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCc2cccnc2)cc1OC ZINC000004789897 557120651 /nfs/dbraw/zinc/12/06/51/557120651.db2.gz YFWHNXRKESCWAI-HSZRJFAPSA-N 0 0 431.492 3.502 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000000631454 557122700 /nfs/dbraw/zinc/12/27/00/557122700.db2.gz NTDIUQICOGIFBU-UHFFFAOYSA-N 0 0 428.441 3.650 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000023882314 557123031 /nfs/dbraw/zinc/12/30/31/557123031.db2.gz VTEBXSSRPXKTBN-UHFFFAOYSA-N 0 0 432.568 3.619 50 0 IHAARN O=C(Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1)c1cccs1 ZINC000023907914 557124343 /nfs/dbraw/zinc/12/43/43/557124343.db2.gz XTIZOTXMNFMHPH-NRFANRHFSA-N 0 0 435.549 3.804 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000017824407 557124770 /nfs/dbraw/zinc/12/47/70/557124770.db2.gz UKCAEXIRUTXJBH-IBGZPJMESA-N 0 0 430.508 3.549 50 0 IHAARN CCOC(=O)Cc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1Cc1ccccc1 ZINC000024716358 557126165 /nfs/dbraw/zinc/12/61/65/557126165.db2.gz NDTSAMQMLPWQDU-UHFFFAOYSA-N 0 0 438.553 3.780 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000023935708 557126189 /nfs/dbraw/zinc/12/61/89/557126189.db2.gz IUCCNUZFJFIWKY-UHFFFAOYSA-N 0 0 443.594 3.788 50 0 IHAARN CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)CC1 ZINC000023936133 557126504 /nfs/dbraw/zinc/12/65/04/557126504.db2.gz RVSIXKBOCVADLO-IBGZPJMESA-N 0 0 435.597 3.887 50 0 IHAARN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)CC1 ZINC000023936130 557126585 /nfs/dbraw/zinc/12/65/85/557126585.db2.gz RVSIXKBOCVADLO-LJQANCHMSA-N 0 0 435.597 3.887 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2ccsc2)CC1 ZINC000023968730 557128671 /nfs/dbraw/zinc/12/86/71/557128671.db2.gz WUTJPZNDSQAITR-UHFFFAOYSA-N 0 0 429.549 3.954 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2Cc2ccco2)CC1 ZINC000011374050 557129392 /nfs/dbraw/zinc/12/93/92/557129392.db2.gz AEPXPYMHCCPGDD-HKUYNNGSSA-N 0 0 431.606 3.943 50 0 IHAARN C[C@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O ZINC000102989795 557130105 /nfs/dbraw/zinc/13/01/05/557130105.db2.gz HPIUKAZXFXVOSS-HZMBPMFUSA-N 0 0 430.140 3.718 50 0 IHAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000669598 557131724 /nfs/dbraw/zinc/13/17/24/557131724.db2.gz OWPVTZAGNUVXHK-UHFFFAOYSA-N 0 0 431.297 3.656 50 0 IHAARN C[C@H](OC(=O)c1c2c(sc1NC(=O)c1ccco1)CCC2)C(=O)N1CCC(C)CC1 ZINC000010935841 557133867 /nfs/dbraw/zinc/13/38/67/557133867.db2.gz IIWIKFBFRIYBPT-AWEZNQCLSA-N 0 0 430.526 3.886 50 0 IHAARN Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000024775906 557137666 /nfs/dbraw/zinc/13/76/66/557137666.db2.gz MFHCFTIVRHYGNM-UHFFFAOYSA-N 0 0 436.493 3.505 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)CSCC(=O)Nc1ccc(C)cc1C ZINC000024170898 557139408 /nfs/dbraw/zinc/13/94/08/557139408.db2.gz NLDIKZQQXHZLJP-INIZCTEOSA-N 0 0 430.526 3.554 50 0 IHAARN COc1ccc(C(=O)NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000011398386 557139975 /nfs/dbraw/zinc/13/99/75/557139975.db2.gz DWFKIYCLVXGMCC-UHFFFAOYSA-N 0 0 430.416 3.617 50 0 IHAARN CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000024190774 557139990 /nfs/dbraw/zinc/13/99/90/557139990.db2.gz RLIWINZVWLCBFA-UHFFFAOYSA-N 0 0 432.520 3.919 50 0 IHAARN CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000011416877 557143179 /nfs/dbraw/zinc/14/31/79/557143179.db2.gz PLFRLVWNEWHJHV-UHFFFAOYSA-N 0 0 429.904 3.623 50 0 IHAARN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C ZINC000011418432 557143480 /nfs/dbraw/zinc/14/34/80/557143480.db2.gz GZGJDHDCLGVENE-OAQYLSRUSA-N 0 0 443.931 3.869 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)cc1 ZINC000000713099 557145068 /nfs/dbraw/zinc/14/50/68/557145068.db2.gz VRQLZTUUSHOJOR-UHFFFAOYSA-N 0 0 427.551 3.808 50 0 IHAARN O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000024368883 557145415 /nfs/dbraw/zinc/14/54/15/557145415.db2.gz YFBRVNZLOJKEON-UHFFFAOYSA-N 0 0 431.539 3.759 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cnn(C(C)C)c3n2)s1 ZINC000011430628 557146684 /nfs/dbraw/zinc/14/66/84/557146684.db2.gz AKYPJCCVSDLMTF-UHFFFAOYSA-N 0 0 447.568 3.802 50 0 IHAARN COc1cc(NC(=O)CSCc2cc(=O)n3cc(C)ccc3n2)c(OC)cc1Cl ZINC000010949889 557148016 /nfs/dbraw/zinc/14/80/16/557148016.db2.gz YTWNZDGRUFRSEH-UHFFFAOYSA-N 0 0 433.917 3.545 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000000716852 557148186 /nfs/dbraw/zinc/14/81/86/557148186.db2.gz UBJHPFXESARNLN-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024817741 557150502 /nfs/dbraw/zinc/15/05/02/557150502.db2.gz YLXCVLKCBHXLKZ-INIZCTEOSA-N 0 0 447.285 3.590 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024817746 557150550 /nfs/dbraw/zinc/15/05/50/557150550.db2.gz YLXCVLKCBHXLKZ-MRXNPFEDSA-N 0 0 447.285 3.590 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc(-c4ccco4)cc3)n(C)n2)c1 ZINC000585147990 557151056 /nfs/dbraw/zinc/15/10/56/557151056.db2.gz LKOHNDDWQUCALK-QFIPXVFZSA-N 0 0 447.491 3.828 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3F)n2)CC1 ZINC000024585137 557152278 /nfs/dbraw/zinc/15/22/78/557152278.db2.gz LHXBTMXCUDZTMM-UHFFFAOYSA-N 0 0 446.479 3.793 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000024587313 557152300 /nfs/dbraw/zinc/15/23/00/557152300.db2.gz FUXGYAJBBGXFPV-UHFFFAOYSA-N 0 0 447.413 3.998 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000023273051 557152760 /nfs/dbraw/zinc/15/27/60/557152760.db2.gz WBQHMMFQQGBVNS-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000011482017 557152776 /nfs/dbraw/zinc/15/27/76/557152776.db2.gz PANVMDYMMTWKDA-MRXNPFEDSA-N 0 0 446.931 3.904 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607213 557153415 /nfs/dbraw/zinc/15/34/15/557153415.db2.gz XDXHKOLEYHRIKY-UHFFFAOYSA-N 0 0 436.961 3.919 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000024608181 557153917 /nfs/dbraw/zinc/15/39/17/557153917.db2.gz PTUKWLWRYNUXHK-UHFFFAOYSA-N 0 0 439.468 3.599 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608621 557154004 /nfs/dbraw/zinc/15/40/04/557154004.db2.gz FPWNLTQJGJFSBM-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 ZINC000024611118 557155180 /nfs/dbraw/zinc/15/51/80/557155180.db2.gz BNDBLWMMSKSKRU-UHFFFAOYSA-N 0 0 446.638 3.754 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 ZINC000011534569 557160612 /nfs/dbraw/zinc/16/06/12/557160612.db2.gz HQGLYVOHDDXMBD-QGZVFWFLSA-N 0 0 449.532 3.923 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@H]1C ZINC000011537928 557160635 /nfs/dbraw/zinc/16/06/35/557160635.db2.gz UAFLYXVJAQWPBE-JKIFEVAISA-N 0 0 431.562 3.641 50 0 IHAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024719960 557160638 /nfs/dbraw/zinc/16/06/38/557160638.db2.gz LGYWTIPIYSLHPT-LBPRGKRZSA-N 0 0 445.595 3.720 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]n1 ZINC000206789226 557163534 /nfs/dbraw/zinc/16/35/34/557163534.db2.gz RDGQBTGJGZGRAU-CQSZACIVSA-N 0 0 431.418 3.508 50 0 IHAARN Cn1c(SC[C@H](O)COc2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000024828454 557165680 /nfs/dbraw/zinc/16/56/80/557165680.db2.gz ASIMMCQQXURFPA-KDOFPFPSSA-N 0 0 433.917 3.513 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000024775162 557166635 /nfs/dbraw/zinc/16/66/35/557166635.db2.gz YTELFJZWRTVSNX-WIYYLYMNSA-N 0 0 436.508 3.921 50 0 IHAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000024805217 557168402 /nfs/dbraw/zinc/16/84/02/557168402.db2.gz HEQQZERLKYAZJX-UHFFFAOYSA-N 0 0 433.526 3.722 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 ZINC000024815616 557168718 /nfs/dbraw/zinc/16/87/18/557168718.db2.gz XSUYRXVUPJCNMZ-UHFFFAOYSA-N 0 0 440.931 3.921 50 0 IHAARN Cc1cc(N)nc(SCC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)n1 ZINC000024835594 557171914 /nfs/dbraw/zinc/17/19/14/557171914.db2.gz XYZDVPWIABXDSL-VMPITWQZSA-N 0 0 448.548 3.977 50 0 IHAARN CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000024839409 557172882 /nfs/dbraw/zinc/17/28/82/557172882.db2.gz MOJFIGOLADZNNY-HNNXBMFYSA-N 0 0 441.557 3.580 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000024843597 557173824 /nfs/dbraw/zinc/17/38/24/557173824.db2.gz XLFVGRDFTNSGKF-DLBZAZTESA-N 0 0 445.519 3.646 50 0 IHAARN O=C(NCc1nnc2n1CCCCC2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000010962151 557177675 /nfs/dbraw/zinc/17/76/75/557177675.db2.gz QSIZYNHGBKRYIX-UHFFFAOYSA-N 0 0 430.487 3.926 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2ccccc2Br)cc1 ZINC000024922972 557179088 /nfs/dbraw/zinc/17/90/88/557179088.db2.gz YRFJKJHEBUJVFQ-CVEARBPZSA-N 0 0 432.362 3.894 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)c1 ZINC000024925216 557179751 /nfs/dbraw/zinc/17/97/51/557179751.db2.gz XOKJMQZRXCWBCV-CQSZACIVSA-N 0 0 429.571 3.618 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCC(=O)N(C)C ZINC000097987504 557183972 /nfs/dbraw/zinc/18/39/72/557183972.db2.gz VWPYDNIYAYXZGR-GZTJUZNOSA-N 0 0 428.872 3.550 50 0 IHAARN Cc1nc2ccc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)cc2s1 ZINC000024974048 557184292 /nfs/dbraw/zinc/18/42/92/557184292.db2.gz RGVBSCTZOXYFCS-HXUWFJFHSA-N 0 0 426.523 3.547 50 0 IHAARN CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1C ZINC000024977938 557184880 /nfs/dbraw/zinc/18/48/80/557184880.db2.gz NWKHEJQYBZEKFK-MRXNPFEDSA-N 0 0 442.585 3.561 50 0 IHAARN CCn1c(COc2ccccc2OC)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009302832 557185804 /nfs/dbraw/zinc/18/58/04/557185804.db2.gz MWYCUJPRCNUNML-ZDUSSCGKSA-N 0 0 433.559 3.770 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C ZINC000009304453 557186105 /nfs/dbraw/zinc/18/61/05/557186105.db2.gz MWVOQGIRHFEOJQ-UHFFFAOYSA-N 0 0 425.514 3.514 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CN2C(=S)N=NC2c2cccc(C)c2)cc1OC ZINC000024985093 557186238 /nfs/dbraw/zinc/18/62/38/557186238.db2.gz KGXTXCKWCCFNJU-SFHVURJKSA-N 0 0 438.553 3.923 50 0 IHAARN Cn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 ZINC000009328987 557187227 /nfs/dbraw/zinc/18/72/27/557187227.db2.gz BSMFFPINUUFKPG-UHFFFAOYSA-N 0 0 435.981 3.581 50 0 IHAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000024991098 557187675 /nfs/dbraw/zinc/18/76/75/557187675.db2.gz MVIYALLBFBMMIO-NSHDSACASA-N 0 0 444.388 3.778 50 0 IHAARN Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n(C)c21 ZINC000100821259 557187906 /nfs/dbraw/zinc/18/79/06/557187906.db2.gz NQDBNJDETICJMQ-GHVJWSGMSA-N 0 0 443.594 3.854 50 0 IHAARN COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 ZINC000098003221 557189215 /nfs/dbraw/zinc/18/92/15/557189215.db2.gz TZHVGXBYOKUJRA-JFPYRBRCSA-N 0 0 441.531 3.938 50 0 IHAARN CCCCn1c(N)c(N(CC)C(=O)c2sc3cccc(C)c3c2Cl)c(=O)[nH]c1=O ZINC000025046529 557190701 /nfs/dbraw/zinc/19/07/01/557190701.db2.gz POMYJKKHCZRQCD-UHFFFAOYSA-N 0 0 434.949 3.762 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000003182716 557193508 /nfs/dbraw/zinc/19/35/08/557193508.db2.gz SQTZMEJTBPEGQV-KBPBESRZSA-N 0 0 442.459 3.756 50 0 IHAARN C[C@H](OC(=O)Cn1cnc2sccc2c1=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000025073080 557194532 /nfs/dbraw/zinc/19/45/32/557194532.db2.gz VANQPRLFGDLOQM-HNNXBMFYSA-N 0 0 433.489 3.695 50 0 IHAARN COc1ccccc1-n1nnnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000025110151 557195529 /nfs/dbraw/zinc/19/55/29/557195529.db2.gz VQLLXAGQWSSTIP-INIZCTEOSA-N 0 0 431.521 3.932 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000025145279 557196457 /nfs/dbraw/zinc/19/64/57/557196457.db2.gz PFYHGEFWCJIJLH-HXUWFJFHSA-N 0 0 442.441 3.821 50 0 IHAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)s1)n2C ZINC000100878866 557197849 /nfs/dbraw/zinc/19/78/49/557197849.db2.gz IDSKLPKUDHPEDF-FBMGVBCBSA-N 0 0 425.329 3.982 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000010141197 557207600 /nfs/dbraw/zinc/20/76/00/557207600.db2.gz VKYTWDMUUCUUBV-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677538 557209523 /nfs/dbraw/zinc/20/95/23/557209523.db2.gz YOCZRGBAHFXTJW-UNMCSNQZSA-N 0 0 447.501 3.726 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)c2C)no1 ZINC000010985153 557210721 /nfs/dbraw/zinc/21/07/21/557210721.db2.gz RAYCRNNBEHZTBY-CQSZACIVSA-N 0 0 439.493 3.863 50 0 IHAARN Cn1c2oc(NCc3ccccc3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000011615595 557211507 /nfs/dbraw/zinc/21/15/07/557211507.db2.gz QYPBGANZXXIWNH-UHFFFAOYSA-N 0 0 440.297 3.872 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000100999062 557212094 /nfs/dbraw/zinc/21/20/94/557212094.db2.gz GQTYNSLTQMNCRB-SFHVURJKSA-N 0 0 435.871 3.650 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000101047182 557215626 /nfs/dbraw/zinc/21/56/26/557215626.db2.gz MURCILWVRZTRIQ-ZRBLBEILSA-N 0 0 448.450 3.894 50 0 IHAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000025609056 557219100 /nfs/dbraw/zinc/21/91/00/557219100.db2.gz SYSJFMOJIDXMLF-HSZRJFAPSA-N 0 0 448.542 3.924 50 0 IHAARN COc1cc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 ZINC000025622490 557219935 /nfs/dbraw/zinc/21/99/35/557219935.db2.gz NANJEQQGVBRPBT-CYFREDJKSA-N 0 0 440.565 3.687 50 0 IHAARN CN(C)c1ccc([C@@H](CNC(=O)[C@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000072300993 557223529 /nfs/dbraw/zinc/22/35/29/557223529.db2.gz MDOHRWBLNHMQOL-BVAGGSTKSA-N 0 0 446.595 3.593 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000007906395 557223780 /nfs/dbraw/zinc/22/37/80/557223780.db2.gz KLQYEZZSFXVNOO-KRWDZBQOSA-N 0 0 427.570 3.873 50 0 IHAARN COC(=O)Cn1c(=O)c2ccccc2nc1SCc1nc(-c2cccs2)oc1C ZINC000010717769 557224361 /nfs/dbraw/zinc/22/43/61/557224361.db2.gz UFECLCNUOADSSP-UHFFFAOYSA-N 0 0 427.507 3.887 50 0 IHAARN O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000025775695 557225439 /nfs/dbraw/zinc/22/54/39/557225439.db2.gz KQLNPCOEADBONL-LJQANCHMSA-N 0 0 427.576 3.957 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1Cl ZINC000011441092 557229003 /nfs/dbraw/zinc/22/90/03/557229003.db2.gz XTGYLPJWOAOZND-UHFFFAOYSA-N 0 0 429.897 3.745 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)C)n2[C@@H](C)COC)c1 ZINC000011478632 557229511 /nfs/dbraw/zinc/22/95/11/557229511.db2.gz UJNVVPIZUNBBFG-INIZCTEOSA-N 0 0 440.635 3.931 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=S)[nH]nc1-c1cccc(C)c1 ZINC000011658399 557229645 /nfs/dbraw/zinc/22/96/45/557229645.db2.gz YZWZYVOTQGVVOZ-UHFFFAOYSA-N 0 0 425.514 3.912 50 0 IHAARN O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccccc1C(F)(F)F ZINC000011666399 557231556 /nfs/dbraw/zinc/23/15/56/557231556.db2.gz POZIXACZRLSXHG-UHFFFAOYSA-N 0 0 447.804 3.869 50 0 IHAARN COc1ccc2[nH]c(SCc3nnc(C(=O)NCc4ccc(F)cc4)s3)nc2c1 ZINC000026008248 557231857 /nfs/dbraw/zinc/23/18/57/557231857.db2.gz ZVLMLFQFRNCGRX-UHFFFAOYSA-N 0 0 429.502 3.784 50 0 IHAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000026065684 557233273 /nfs/dbraw/zinc/23/32/73/557233273.db2.gz ARDYAPOHVHDSDP-UWJYYQICSA-N 0 0 435.528 3.581 50 0 IHAARN Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Br)cc1F ZINC000026099295 557234316 /nfs/dbraw/zinc/23/43/16/557234316.db2.gz QCZPUEMTESZHNL-UHFFFAOYSA-N 0 0 428.308 3.627 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1OC ZINC000098211731 557235147 /nfs/dbraw/zinc/23/51/47/557235147.db2.gz ZQPAIKFACHMGFM-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN CCOC(=O)c1ccc(-n2nc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 ZINC000098212055 557235476 /nfs/dbraw/zinc/23/54/76/557235476.db2.gz FCZIBGOIPLQKPX-UHFFFAOYSA-N 0 0 448.500 3.704 50 0 IHAARN CC(C)Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000032950630 557237426 /nfs/dbraw/zinc/23/74/26/557237426.db2.gz QFYMLFOXLUCLSS-UHFFFAOYSA-N 0 0 434.512 3.934 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4C)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000583648918 557241593 /nfs/dbraw/zinc/24/15/93/557241593.db2.gz CCQIVVLSNNTPMX-XMMPIXPASA-N 0 0 432.568 3.750 50 0 IHAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000026521055 557242982 /nfs/dbraw/zinc/24/29/82/557242982.db2.gz SEHKTWGTQBVONC-DEOSSOPVSA-N 0 0 425.548 3.863 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)c1 ZINC000018156273 557244243 /nfs/dbraw/zinc/24/42/43/557244243.db2.gz AKXSABWFKKRNNC-UHFFFAOYSA-N 0 0 448.475 3.714 50 0 IHAARN CC1CCN(c2nn(CN3CCc4ccccc4C3)c(=S)n2C[C@H]2CCCO2)CC1 ZINC000026551690 557244473 /nfs/dbraw/zinc/24/44/73/557244473.db2.gz WBVWZVOYBGXDIN-OAQYLSRUSA-N 0 0 427.618 3.845 50 0 IHAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000026563014 557244821 /nfs/dbraw/zinc/24/48/21/557244821.db2.gz KYNWBGJMURNVHO-SFHVURJKSA-N 0 0 426.948 3.933 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000026555992 557244917 /nfs/dbraw/zinc/24/49/17/557244917.db2.gz YYSQTUTYSAJAGE-IBGZPJMESA-N 0 0 447.568 3.889 50 0 IHAARN COc1ccccc1N1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)CC1 ZINC000018192254 557246955 /nfs/dbraw/zinc/24/69/55/557246955.db2.gz CEUGXUNWCSVBBB-UHFFFAOYSA-N 0 0 445.519 3.675 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000026796723 557249178 /nfs/dbraw/zinc/24/91/78/557249178.db2.gz OWHGDFRCDFHYND-KBXCAEBGSA-N 0 0 427.476 3.914 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000026890426 557250180 /nfs/dbraw/zinc/25/01/80/557250180.db2.gz VTLUDMUDGIFEOS-UHFFFAOYSA-N 0 0 449.579 3.959 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1OC ZINC000018206243 557251766 /nfs/dbraw/zinc/25/17/66/557251766.db2.gz PXSJQVJGJHFENU-XPNTWCBSSA-N 0 0 430.460 3.755 50 0 IHAARN O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000027160800 557258274 /nfs/dbraw/zinc/25/82/74/557258274.db2.gz TVNCIPZUDJCRPK-HXUWFJFHSA-N 0 0 443.507 3.635 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000027241118 557259242 /nfs/dbraw/zinc/25/92/42/557259242.db2.gz BNSWAVAVIKTFFV-HXUWFJFHSA-N 0 0 445.441 3.516 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F ZINC000027303100 557259736 /nfs/dbraw/zinc/25/97/36/557259736.db2.gz XGSLARCHVYOZOO-AWEZNQCLSA-N 0 0 425.426 3.885 50 0 IHAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303239 557259851 /nfs/dbraw/zinc/25/98/51/557259851.db2.gz PHUUXOIGXQDDLY-GFCCVEGCSA-N 0 0 429.389 3.716 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2c(F)cccc2Cl)NC(=O)N[C@@H]1c1cccs1 ZINC000027351327 557260856 /nfs/dbraw/zinc/26/08/56/557260856.db2.gz ZXJVZYCNFHWJSS-GOSISDBHSA-N 0 0 437.924 3.844 50 0 IHAARN CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@H]1c1cccs1 ZINC000027373616 557261275 /nfs/dbraw/zinc/26/12/75/557261275.db2.gz UBLHHFFHCZTMST-IBGZPJMESA-N 0 0 449.960 3.583 50 0 IHAARN CC(=O)N1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1 ZINC000000821703 557268163 /nfs/dbraw/zinc/26/81/63/557268163.db2.gz LXSHMVZWNQKNGG-IRLDBZIGSA-N 0 0 429.973 3.651 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000829727 557272396 /nfs/dbraw/zinc/27/23/96/557272396.db2.gz VQIQDICZTFJHIE-UHFFFAOYSA-N 0 0 426.469 3.862 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000027745986 557272600 /nfs/dbraw/zinc/27/26/00/557272600.db2.gz HCYKQAJJVDOQBY-MRXNPFEDSA-N 0 0 428.337 3.832 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000101061611 557282047 /nfs/dbraw/zinc/28/20/47/557282047.db2.gz YFMJVBFSQLUMIC-QGZVFWFLSA-N 0 0 430.249 3.947 50 0 IHAARN O=C1C[C@H](N2CCc3[nH]c4c(cccc4Br)c3C2)C(=O)N1Cc1ccccc1 ZINC000101505974 557290212 /nfs/dbraw/zinc/29/02/12/557290212.db2.gz VWEVZOYMBQSGBQ-IBGZPJMESA-N 0 0 438.325 3.616 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000101629379 557291915 /nfs/dbraw/zinc/29/19/15/557291915.db2.gz MTKBZGVPGWHGED-CALCHBBNSA-N 0 0 448.491 3.749 50 0 IHAARN Cc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)cc1F ZINC000101624507 557292803 /nfs/dbraw/zinc/29/28/03/557292803.db2.gz VBDSFIDZZBQSEK-UHFFFAOYSA-N 0 0 441.547 3.823 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000101628320 557292990 /nfs/dbraw/zinc/29/29/90/557292990.db2.gz OYUNKJKKGMRYGY-KDURUIRLSA-N 0 0 430.501 3.610 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)SCC(=O)N2 ZINC000031812075 557294108 /nfs/dbraw/zinc/29/41/08/557294108.db2.gz BZDDBLSWHISAFV-OAHLLOKOSA-N 0 0 446.323 3.929 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN1c2ncccc2N=C(c2ccc(C)cc2)CC1=O ZINC000101881304 557305070 /nfs/dbraw/zinc/30/50/70/557305070.db2.gz WUSOWOVBUIOMRL-UHFFFAOYSA-N 0 0 442.475 3.673 50 0 IHAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014129644 557308171 /nfs/dbraw/zinc/30/81/71/557308171.db2.gz HCLFQARHCFYFLN-LJQANCHMSA-N 0 0 433.577 3.800 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc(Cn3cccn3)cc2)nnc1-c1ccccc1C ZINC000014141826 557310514 /nfs/dbraw/zinc/31/05/14/557310514.db2.gz JWSLYLUSDIFDEC-UHFFFAOYSA-N 0 0 446.580 3.927 50 0 IHAARN COCCNc1nnc(SCc2nc(-c3cccc(Br)c3)no2)s1 ZINC000032745336 557314756 /nfs/dbraw/zinc/31/47/56/557314756.db2.gz VFYFVHNWYFISAQ-UHFFFAOYSA-N 0 0 428.337 3.701 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCC(C)CC1 ZINC000102289267 557317771 /nfs/dbraw/zinc/31/77/71/557317771.db2.gz SOSOSOFXARZHOJ-ZPEMIIMYSA-N 0 0 432.586 3.527 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NC3CCCCCC3)s2)cc1 ZINC000032986982 557321711 /nfs/dbraw/zinc/32/17/11/557321711.db2.gz KUWSMMHRHBUVKB-UHFFFAOYSA-N 0 0 434.587 3.871 50 0 IHAARN COc1cccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)c1 ZINC000032999239 557322206 /nfs/dbraw/zinc/32/22/06/557322206.db2.gz OCMCIFXIIOGIPI-UHFFFAOYSA-N 0 0 448.498 3.658 50 0 IHAARN Cc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c(Cl)c1 ZINC000033037523 557322815 /nfs/dbraw/zinc/32/28/15/557322815.db2.gz IUAQRLCOVOEUJN-UHFFFAOYSA-N 0 0 437.931 3.939 50 0 IHAARN COc1ccc(/C=c2/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC ZINC000033168231 557326080 /nfs/dbraw/zinc/32/60/80/557326080.db2.gz QQSSTNRKEOOCOU-PDDUZAPNSA-N 0 0 425.897 3.540 50 0 IHAARN Cc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000033170124 557326732 /nfs/dbraw/zinc/32/67/32/557326732.db2.gz JDYJWYZPUKTJEQ-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COCCN1C(=S)N[C@@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000014232732 557326827 /nfs/dbraw/zinc/32/68/27/557326827.db2.gz SWOVRLLVXSKAHJ-QGZVFWFLSA-N 0 0 438.912 3.566 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000102478762 557327010 /nfs/dbraw/zinc/32/70/10/557327010.db2.gz HOHBDUQEQNDIOL-UXSWERMXSA-N 0 0 429.561 3.935 50 0 IHAARN COC(=O)C[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 ZINC000011670521 557327800 /nfs/dbraw/zinc/32/78/00/557327800.db2.gz LMOWRBYRDWVQLF-CQSZACIVSA-N 0 0 436.331 3.740 50 0 IHAARN CC(C)CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2C1=O ZINC000014241599 557329158 /nfs/dbraw/zinc/32/91/58/557329158.db2.gz FVQUWHYMPYKKCY-LJQANCHMSA-N 0 0 447.535 3.820 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)c1 ZINC000033289576 557332336 /nfs/dbraw/zinc/33/23/36/557332336.db2.gz DUMBZSKFGVLQHM-LJQANCHMSA-N 0 0 434.496 3.652 50 0 IHAARN COc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(I)c1 ZINC000014351259 557334787 /nfs/dbraw/zinc/33/47/87/557334787.db2.gz FNAKMMYYOCITNE-UHFFFAOYSA-N 0 0 427.238 3.634 50 0 IHAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000014361086 557336306 /nfs/dbraw/zinc/33/63/06/557336306.db2.gz AQSIBRHNUHZHTC-CALCHBBNSA-N 0 0 434.492 3.703 50 0 IHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000023335970 557348503 /nfs/dbraw/zinc/34/85/03/557348503.db2.gz RIWGOGKGJBORID-UHFFFAOYSA-N 0 0 436.512 3.596 50 0 IHAARN CC(C)=CC(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000023335982 557348513 /nfs/dbraw/zinc/34/85/13/557348513.db2.gz AGZIXDPYIKRKQU-UHFFFAOYSA-N 0 0 431.327 3.713 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2C)c1ccccc1 ZINC000011680637 557352548 /nfs/dbraw/zinc/35/25/48/557352548.db2.gz OBPISKSJOTZKJN-HNNXBMFYSA-N 0 0 446.536 3.585 50 0 IHAARN COc1cccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023431560 557355472 /nfs/dbraw/zinc/35/54/72/557355472.db2.gz CFHQEBYWFLVOOR-XMMPIXPASA-N 0 0 440.540 3.930 50 0 IHAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n(-c2ccccn2)n1 ZINC000023462483 557361131 /nfs/dbraw/zinc/36/11/31/557361131.db2.gz NMINTMNGYFKIMW-UHFFFAOYSA-N 0 0 431.452 3.968 50 0 IHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000102709966 557367602 /nfs/dbraw/zinc/36/76/02/557367602.db2.gz FXOUMHODGVXUAV-OALUTQOASA-N 0 0 438.553 3.748 50 0 IHAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220863106 557369174 /nfs/dbraw/zinc/36/91/74/557369174.db2.gz VOOLLAXONXVXGF-OAHLLOKOSA-N 0 0 432.459 3.756 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000023908087 557379459 /nfs/dbraw/zinc/37/94/59/557379459.db2.gz JNOYBVUTYBDZCQ-VWLOTQADSA-N 0 0 449.551 3.982 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102763571 557380916 /nfs/dbraw/zinc/38/09/16/557380916.db2.gz IYRVNKAGCDPRBN-DNVJHFABSA-N 0 0 445.450 3.835 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(OC)nn3)ccc2C)cc1 ZINC000011694200 557392954 /nfs/dbraw/zinc/39/29/54/557392954.db2.gz DBHKZMQSFSXVDQ-UHFFFAOYSA-N 0 0 426.498 3.610 50 0 IHAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n(C(C)C)n1 ZINC000011695198 557393143 /nfs/dbraw/zinc/39/31/43/557393143.db2.gz KGTKNLUMKSHBHM-UHFFFAOYSA-N 0 0 430.983 3.527 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013955949 557397694 /nfs/dbraw/zinc/39/76/94/557397694.db2.gz LAFQGLREPUMGQK-UHFFFAOYSA-N 0 0 449.458 3.627 50 0 IHAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C ZINC000013955938 557397765 /nfs/dbraw/zinc/39/77/65/557397765.db2.gz ZGUIZDWMAWATFO-MRXNPFEDSA-N 0 0 437.569 3.528 50 0 IHAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2c(F)cccc2F)n1C ZINC000013956669 557398899 /nfs/dbraw/zinc/39/88/99/557398899.db2.gz KCLUZXGJDYKPTM-UHFFFAOYSA-N 0 0 445.495 3.568 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 ZINC000025691165 557409015 /nfs/dbraw/zinc/40/90/15/557409015.db2.gz XBCAGYLUHKWBLO-UEXGIBASSA-N 0 0 426.513 3.576 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000102945763 557413348 /nfs/dbraw/zinc/41/33/48/557413348.db2.gz ROHKHMMDPRCUDZ-RTBURBONSA-N 0 0 433.508 3.751 50 0 IHAARN COc1cc(C(=O)/N=c2/sc3cc(Br)ccc3n2C)cc(OC)c1OC ZINC000100536295 557420976 /nfs/dbraw/zinc/42/09/76/557420976.db2.gz XKLXNSZKZXVYIA-CZIZESTLSA-N 0 0 437.315 3.769 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C ZINC000026154614 557458943 /nfs/dbraw/zinc/45/89/43/557458943.db2.gz HHJLIYXEUZIWQI-CQSZACIVSA-N 0 0 437.462 3.829 50 0 IHAARN COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccccc2)cc1Cl ZINC000051316556 557464449 /nfs/dbraw/zinc/46/44/49/557464449.db2.gz IARMQBWINUJGIA-UHFFFAOYSA-N 0 0 441.900 3.502 50 0 IHAARN O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000046896380 557513017 /nfs/dbraw/zinc/51/30/17/557513017.db2.gz UGGBCGVFQRHIKT-KBPBESRZSA-N 0 0 438.899 3.542 50 0 IHAARN COc1ccc(Cn2c(CNS(=O)(=O)c3cccc(Cl)c3)nc3cccnc32)cc1 ZINC000047146292 557517068 /nfs/dbraw/zinc/51/70/68/557517068.db2.gz LNVGBTDGKUVCKA-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000047146234 557517076 /nfs/dbraw/zinc/51/70/76/557517076.db2.gz RIQAKSVJEKWQCJ-UHFFFAOYSA-N 0 0 430.892 3.751 50 0 IHAARN Cc1cccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2Cl)c1 ZINC000047147399 557517818 /nfs/dbraw/zinc/51/78/18/557517818.db2.gz YFOADQMJEAJWJP-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc(F)cc4Cl)C3=O)n2)c1 ZINC000110951078 557525100 /nfs/dbraw/zinc/52/51/00/557525100.db2.gz NYSHBNHYFGWPDY-HXUWFJFHSA-N 0 0 430.823 3.505 50 0 IHAARN CCn1c2ccc(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)cc2[nH]c(=O)c1=O ZINC000012041234 557525419 /nfs/dbraw/zinc/52/54/19/557525419.db2.gz ZZNIQTZLSNDDDH-UHFFFAOYSA-N 0 0 429.476 3.561 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105368 557534389 /nfs/dbraw/zinc/53/43/89/557534389.db2.gz UXZRVONPBRPDKO-KRWDZBQOSA-N 0 0 431.407 3.803 50 0 IHAARN CSc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044786580 557537137 /nfs/dbraw/zinc/53/71/37/557537137.db2.gz SJUHFUXIZHSKKW-QGZVFWFLSA-N 0 0 426.947 3.618 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000044839569 557539132 /nfs/dbraw/zinc/53/91/32/557539132.db2.gz RAMUIDWEZOJSTN-UHFFFAOYSA-N 0 0 427.504 3.607 50 0 IHAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000044840253 557539301 /nfs/dbraw/zinc/53/93/01/557539301.db2.gz QQXHUUYKCXCRLL-ZDUSSCGKSA-N 0 0 430.302 3.535 50 0 IHAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2C)c1=O ZINC000044840748 557539314 /nfs/dbraw/zinc/53/93/14/557539314.db2.gz NLFQPJOGQIHFLE-CQSZACIVSA-N 0 0 444.329 3.844 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)c(C)c1 ZINC000045925890 557550354 /nfs/dbraw/zinc/55/03/54/557550354.db2.gz VCADXQDXPZVPCP-UHFFFAOYSA-N 0 0 425.539 3.802 50 0 IHAARN COc1cc(NC(=O)Cn2c(C)nc3c4ccccc4sc3c2=O)cc(OC)c1OC ZINC000045942967 557552172 /nfs/dbraw/zinc/55/21/72/557552172.db2.gz QAZLYARONKIQPB-UHFFFAOYSA-N 0 0 439.493 3.584 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1 ZINC000045942884 557552206 /nfs/dbraw/zinc/55/22/06/557552206.db2.gz BUPGIHMSBFFYAH-UHFFFAOYSA-N 0 0 427.869 3.690 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1S(=O)(=O)NC1CCCC1 ZINC000040072692 557684927 /nfs/dbraw/zinc/68/49/27/557684927.db2.gz IAXKOFRLUYBALI-UHFFFAOYSA-N 0 0 427.526 3.958 50 0 IHAARN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000225421321 557721241 /nfs/dbraw/zinc/72/12/41/557721241.db2.gz KXMBVQBJBAFZDC-UHFFFAOYSA-N 0 0 428.583 3.622 50 0 IHAARN COc1cc(OC)c(OC)cc1CN(Cc1cc(=O)n2c(C)csc2n1)C(C)(C)C ZINC000225476553 557727346 /nfs/dbraw/zinc/72/73/46/557727346.db2.gz ZCZXXIWUVLNGMK-UHFFFAOYSA-N 0 0 431.558 3.891 50 0 IHAARN Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(O)(c3scnc3Br)CC2)s1 ZINC000225489142 557729117 /nfs/dbraw/zinc/72/91/17/557729117.db2.gz RSTUPQXNTUQBMX-RYUDHWBXSA-N 0 0 427.389 3.889 50 0 IHAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3ccccc3Nc3ccccc3)C2=O)c1 ZINC000225488931 557729120 /nfs/dbraw/zinc/72/91/20/557729120.db2.gz YBQZJDPYJIQZCS-XMMPIXPASA-N 0 0 430.464 3.551 50 0 IHAARN COc1ccc(-c2noc([C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC ZINC000225527169 557736699 /nfs/dbraw/zinc/73/66/99/557736699.db2.gz JJIOHDQVDKHHCM-INIZCTEOSA-N 0 0 439.493 3.844 50 0 IHAARN CCC(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(S(N)(=O)=O)c1 ZINC000225536570 557738193 /nfs/dbraw/zinc/73/81/93/557738193.db2.gz YPRDJLCJWIZMBJ-OAQYLSRUSA-N 0 0 445.585 3.574 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(N4CCC4=O)cc3)cc2)c1 ZINC000225611530 557751507 /nfs/dbraw/zinc/75/15/07/557751507.db2.gz NAEQBVNQUOSIDU-UHFFFAOYSA-N 0 0 445.475 3.702 50 0 IHAARN COc1ccc(CN(CC2CCC2)c2ncnc3ccc(S(C)(=O)=O)cc32)c(OC)c1 ZINC000225751459 557773021 /nfs/dbraw/zinc/77/30/21/557773021.db2.gz HVQMBUVGDXCIIR-UHFFFAOYSA-N 0 0 441.553 3.857 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)O1 ZINC000225767860 557774983 /nfs/dbraw/zinc/77/49/83/557774983.db2.gz UHDOJUTZSBKLPA-RIEGTJTDSA-N 0 0 438.393 3.757 50 0 IHAARN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000225769963 557775277 /nfs/dbraw/zinc/77/52/77/557775277.db2.gz PGXAWXDUQMOUPI-GOSISDBHSA-N 0 0 432.565 3.982 50 0 IHAARN CC1(c2cc(N3CCN(c4cc(C(F)(F)F)nc(-c5cccnc5)n4)CC3)n[nH]2)CC1 ZINC000225814421 557780144 /nfs/dbraw/zinc/78/01/44/557780144.db2.gz FDHRUZQIECPXMN-UHFFFAOYSA-N 0 0 429.450 3.659 50 0 IHAARN CCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000096372562 557789174 /nfs/dbraw/zinc/78/91/74/557789174.db2.gz JLWUVSXOPPOXNV-UHFFFAOYSA-N 0 0 436.375 3.952 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000229640491 557832715 /nfs/dbraw/zinc/83/27/15/557832715.db2.gz XIVOZKMHLOASRV-STXHMFSFSA-N 0 0 426.563 3.625 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H](c1cccnc1)N(C)C2=O ZINC000230069845 557835282 /nfs/dbraw/zinc/83/52/82/557835282.db2.gz AJQUPUDDSQWYMM-IAAUVJCUSA-N 0 0 437.540 3.514 50 0 IHAARN Cc1[nH]c(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c(C)c1S(N)(=O)=O ZINC000240407417 557845203 /nfs/dbraw/zinc/84/52/03/557845203.db2.gz FMBNGOKARLTYPH-OAHLLOKOSA-N 0 0 445.507 3.685 50 0 IHAARN CC(=O)N(c1nc(Cn2cnc3snc(C)c3c2=O)cs1)c1ccc(C)cc1C ZINC000241383214 557846475 /nfs/dbraw/zinc/84/64/75/557846475.db2.gz MTIXCDJDMISUHF-UHFFFAOYSA-N 0 0 425.539 3.968 50 0 IHAARN CC[C@H]1NC(=O)N(c2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)C1=O ZINC000241470705 557846582 /nfs/dbraw/zinc/84/65/82/557846582.db2.gz NXGILTZOHQNTHQ-OAQYLSRUSA-N 0 0 436.512 3.735 50 0 IHAARN CCOC(=O)c1ncn(C2CCN(C(=O)Nc3cccc(Cl)c3OC(C)C)CC2)c1N ZINC000242242377 557847582 /nfs/dbraw/zinc/84/75/82/557847582.db2.gz XUIQYKJNWRLPRA-UHFFFAOYSA-N 0 0 449.939 3.952 50 0 IHAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)n1 ZINC000000882997 557854520 /nfs/dbraw/zinc/85/45/20/557854520.db2.gz SJQWIYRFOCYLNA-UHFFFAOYSA-N 0 0 440.598 3.586 50 0 IHAARN CCC(=O)c1ccc(OC[C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000025058940 557862497 /nfs/dbraw/zinc/86/24/97/557862497.db2.gz SWTMMSCGYFUGHR-OAQYLSRUSA-N 0 0 439.533 3.915 50 0 IHAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000025064235 557862564 /nfs/dbraw/zinc/86/25/64/557862564.db2.gz OXQCKSFNSZDWOW-CQSZACIVSA-N 0 0 447.944 3.795 50 0 IHAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000025064241 557862566 /nfs/dbraw/zinc/86/25/66/557862566.db2.gz OXQCKSFNSZDWOW-AWEZNQCLSA-N 0 0 447.944 3.795 50 0 IHAARN Cc1c(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000000934339 562919675 /nfs/dbraw/zinc/91/96/75/562919675.db2.gz HGMKIEWRWGHMGW-UHFFFAOYSA-N 0 0 443.290 3.574 50 0 IHAARN COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4c(-c5ccsc5)cnn43)C(=O)N1CC2 ZINC000001390389 562921646 /nfs/dbraw/zinc/92/16/46/562921646.db2.gz PTMKTZCMJGNIOU-SFHVURJKSA-N 0 0 432.505 3.771 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCCOC)c3c2)cc1 ZINC000001803005 562924765 /nfs/dbraw/zinc/92/47/65/562924765.db2.gz PYAGPKDDPVXYHV-UHFFFAOYSA-N 0 0 433.482 3.744 50 0 IHAARN CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C1=O ZINC000002093883 562925789 /nfs/dbraw/zinc/92/57/89/562925789.db2.gz AXJBIEODLJXQSU-DHLKQENFSA-N 0 0 431.536 3.668 50 0 biogenic IHAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000002156791 562926087 /nfs/dbraw/zinc/92/60/87/562926087.db2.gz LCDZIVQXIKMJTE-PUAZMWONSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC ZINC000002441682 562927700 /nfs/dbraw/zinc/92/77/00/562927700.db2.gz SHTCLFDWYWFLCD-QFIPXVFZSA-N 0 0 428.444 3.951 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1 ZINC000002617615 562928404 /nfs/dbraw/zinc/92/84/04/562928404.db2.gz HXQBERVGDJRMLP-UHFFFAOYSA-N 0 0 436.700 3.846 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)NCc1ccccc1 ZINC000002631568 562928808 /nfs/dbraw/zinc/92/88/08/562928808.db2.gz JYCUWNHNAURAJJ-UHFFFAOYSA-N 0 0 447.520 3.705 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1Cl ZINC000002649514 562929226 /nfs/dbraw/zinc/92/92/26/562929226.db2.gz BXKXVOQGFBLEQT-MRXNPFEDSA-N 0 0 431.938 3.623 50 0 IHAARN CCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000002651117 562929288 /nfs/dbraw/zinc/92/92/88/562929288.db2.gz NQKPGVYOMVXPHA-UHFFFAOYSA-N 0 0 439.434 3.622 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002651747 562929324 /nfs/dbraw/zinc/92/93/24/562929324.db2.gz DNHSOAZINHLYLJ-CYBMUJFWSA-N 0 0 427.844 3.747 50 0 IHAARN C[C@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C ZINC000002663344 562929711 /nfs/dbraw/zinc/92/97/11/562929711.db2.gz PNRQMNQEHNTLFI-CQSZACIVSA-N 0 0 430.965 3.728 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NCc2ccco2)cc1 ZINC000002908660 562930454 /nfs/dbraw/zinc/93/04/54/562930454.db2.gz SDYFZLBGKNQASX-UHFFFAOYSA-N 0 0 441.534 3.516 50 0 IHAARN O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21 ZINC000002938544 562930862 /nfs/dbraw/zinc/93/08/62/562930862.db2.gz HOCGKJUXXNLXLY-SFHVURJKSA-N 0 0 430.913 3.932 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003051464 562932268 /nfs/dbraw/zinc/93/22/68/562932268.db2.gz WVESCBQSNUCZPD-UHFFFAOYSA-N 0 0 432.904 3.888 50 0 IHAARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000003351937 562934700 /nfs/dbraw/zinc/93/47/00/562934700.db2.gz DIKNNCDERCEXEP-LLVKDONJSA-N 0 0 427.375 3.915 50 0 IHAARN COc1cccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)c1 ZINC000003477884 562936228 /nfs/dbraw/zinc/93/62/28/562936228.db2.gz UXOXIZFUVNFLRQ-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000004035563 562941112 /nfs/dbraw/zinc/94/11/12/562941112.db2.gz MVENRGJTCVJJCJ-UHFFFAOYSA-N 0 0 434.265 3.896 50 0 IHAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 ZINC000004079238 562941594 /nfs/dbraw/zinc/94/15/94/562941594.db2.gz OLYVBSNFFIAZHX-VWLOTQADSA-N 0 0 439.556 3.656 50 0 IHAARN CCOC(=O)[C@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000006577302 562947546 /nfs/dbraw/zinc/94/75/46/562947546.db2.gz OFMNHUBFONWQLL-AWEZNQCLSA-N 0 0 440.550 3.736 50 0 IHAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1 ZINC000006577986 562948021 /nfs/dbraw/zinc/94/80/21/562948021.db2.gz YKHBVEZGZNNKDE-UHFFFAOYSA-N 0 0 439.585 3.746 50 0 IHAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCCCC4)ccc3c2=O)s1 ZINC000008593113 562952567 /nfs/dbraw/zinc/95/25/67/562952567.db2.gz LVXBMBHJPVOVRA-UHFFFAOYSA-N 0 0 435.509 3.683 50 0 IHAARN CC(C)c1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCCC4)c(O)c3c2)cc1 ZINC000008595215 562953409 /nfs/dbraw/zinc/95/34/09/562953409.db2.gz AKYVPIJTMWNIQI-UHFFFAOYSA-N 0 0 439.537 3.688 50 0 IHAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595736 562953665 /nfs/dbraw/zinc/95/36/65/562953665.db2.gz YRWNLXNZAFJELB-INIZCTEOSA-N 0 0 444.582 3.602 50 0 IHAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc21 ZINC000008598783 562954439 /nfs/dbraw/zinc/95/44/39/562954439.db2.gz WFMLJWMWQCIDMK-UHFFFAOYSA-N 0 0 445.566 3.978 50 0 aggregator IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000008598917 562954518 /nfs/dbraw/zinc/95/45/18/562954518.db2.gz GWDKXMYNNQROKF-UHFFFAOYSA-N 0 0 443.478 3.700 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)C1 ZINC000008599504 562954817 /nfs/dbraw/zinc/95/48/17/562954817.db2.gz VORWJVBOKJHWBG-INIZCTEOSA-N 0 0 437.521 3.964 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(C)c(C)c4)n3n2)cc1 ZINC000008601437 562955346 /nfs/dbraw/zinc/95/53/46/562955346.db2.gz UINIGQRUBKXTHM-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000008601836 562955680 /nfs/dbraw/zinc/95/56/80/562955680.db2.gz KUSPASLHVJHYND-FQEVSTJZSA-N 0 0 433.551 3.698 50 0 IHAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000008605131 562956618 /nfs/dbraw/zinc/95/66/18/562956618.db2.gz SRTYWMPUMNBSQA-UHFFFAOYSA-N 0 0 447.601 3.882 50 0 IHAARN CCOc1ccccc1CNC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C ZINC000008605581 562956811 /nfs/dbraw/zinc/95/68/11/562956811.db2.gz PUZLVCWTCCETIH-UHFFFAOYSA-N 0 0 448.571 3.527 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000008607682 562957339 /nfs/dbraw/zinc/95/73/39/562957339.db2.gz PXXFOYMHNDPVKJ-OAHLLOKOSA-N 0 0 449.488 3.519 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000008608667 562957522 /nfs/dbraw/zinc/95/75/22/562957522.db2.gz BVTVPWBFJVJPBI-QGZVFWFLSA-N 0 0 430.460 3.717 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)Cn2nc(CC)n3c4ccsc4cc3c2=O)c1 ZINC000008609833 562957910 /nfs/dbraw/zinc/95/79/10/562957910.db2.gz XUCDUSVUDSSPHL-UHFFFAOYSA-N 0 0 440.525 3.709 50 0 IHAARN COC(=O)CCN(c1ccccc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008611619 562958718 /nfs/dbraw/zinc/95/87/18/562958718.db2.gz XJIXENABQUHPBX-QHCPKHFHSA-N 0 0 438.549 3.776 50 0 IHAARN COc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008612129 562959038 /nfs/dbraw/zinc/95/90/38/562959038.db2.gz HQPRJYQZDYZZOA-UHFFFAOYSA-N 0 0 439.497 3.944 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)Nc1ccc(C)c(F)c1)c2=O ZINC000008619544 562959886 /nfs/dbraw/zinc/95/98/86/562959886.db2.gz KBSRSIGUVPASTI-UHFFFAOYSA-N 0 0 439.878 3.939 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)COc3ccc(F)cc3)cc(=O)n2c1 ZINC000008619605 562959932 /nfs/dbraw/zinc/95/99/32/562959932.db2.gz FPSCUNUFGODEKE-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)NCc3ccccc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000008623137 562960025 /nfs/dbraw/zinc/96/00/25/562960025.db2.gz PPLFMMHOSDTEFR-INIZCTEOSA-N 0 0 437.590 3.737 50 0 IHAARN COc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)c1 ZINC000008683827 562962002 /nfs/dbraw/zinc/96/20/02/562962002.db2.gz NLOGOWPWRSVTQS-UHFFFAOYSA-N 0 0 441.443 3.546 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12)c1ccccc1 ZINC000008691522 562963453 /nfs/dbraw/zinc/96/34/53/562963453.db2.gz NXTDRLQETVSXKY-FPOVZHCZSA-N 0 0 429.863 3.957 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000008692626 562963612 /nfs/dbraw/zinc/96/36/12/562963612.db2.gz SLTPBFGTDXFSKI-UHFFFAOYSA-N 0 0 425.510 3.670 50 0 IHAARN COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)N1CCCCC1 ZINC000008774526 562964088 /nfs/dbraw/zinc/96/40/88/562964088.db2.gz HJRHRJLGXAWXFI-UHFFFAOYSA-N 0 0 425.510 3.670 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000008831290 562965037 /nfs/dbraw/zinc/96/50/37/562965037.db2.gz CILNAXCABPTPSU-UHFFFAOYSA-N 0 0 433.331 3.651 50 0 IHAARN Cc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 ZINC000008855241 562965150 /nfs/dbraw/zinc/96/51/50/562965150.db2.gz NHDDLLUQIKTIAC-UHFFFAOYSA-N 0 0 443.506 3.660 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000008845187 562965161 /nfs/dbraw/zinc/96/51/61/562965161.db2.gz DBVWYIABAPUILM-OAHLLOKOSA-N 0 0 440.525 3.598 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000009243418 562968405 /nfs/dbraw/zinc/96/84/05/562968405.db2.gz YHZKUKFLWFVXPH-UHFFFAOYSA-N 0 0 440.525 3.599 50 0 IHAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009382415 562969819 /nfs/dbraw/zinc/96/98/19/562969819.db2.gz YYTNOIUANRBYTD-UHFFFAOYSA-N 0 0 434.452 3.683 50 0 IHAARN O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009465598 562971605 /nfs/dbraw/zinc/97/16/05/562971605.db2.gz MIDPWVZTPRKMOS-UHFFFAOYSA-N 0 0 438.524 3.563 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009632351 562974485 /nfs/dbraw/zinc/97/44/85/562974485.db2.gz BPQWWTVGSXFQNE-NRFANRHFSA-N 0 0 444.553 3.671 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)c(C)c1 ZINC000009673949 562975304 /nfs/dbraw/zinc/97/53/04/562975304.db2.gz UPAZAKCQRAZLMA-UHFFFAOYSA-N 0 0 428.489 3.795 50 0 IHAARN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1NC(C)=O ZINC000009684734 562975476 /nfs/dbraw/zinc/97/54/76/562975476.db2.gz JMNFWAATISUEHG-UHFFFAOYSA-N 0 0 428.963 3.519 50 0 IHAARN CCOc1ccc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723651 562976068 /nfs/dbraw/zinc/97/60/68/562976068.db2.gz WWDOQROEPZDPEX-UHFFFAOYSA-N 0 0 449.573 3.580 50 0 IHAARN CCOc1ccc(CCNC(=O)CN2c3ccccc3SCCC2=O)cc1OCC ZINC000009833372 562977339 /nfs/dbraw/zinc/97/73/39/562977339.db2.gz VNZSIAWADICYBK-UHFFFAOYSA-N 0 0 428.554 3.672 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009949717 562977827 /nfs/dbraw/zinc/97/78/27/562977827.db2.gz AQEOWCCSXFDYGC-UHFFFAOYSA-N 0 0 447.491 3.696 50 0 IHAARN CCCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000009987328 562978208 /nfs/dbraw/zinc/97/82/08/562978208.db2.gz QTHXJXNQUMVBAG-UHFFFAOYSA-N 0 0 443.375 3.802 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1OCC ZINC000010021622 562978314 /nfs/dbraw/zinc/97/83/14/562978314.db2.gz HJMXAOIRQBGFOC-UHFFFAOYSA-N 0 0 441.311 3.702 50 0 IHAARN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010290852 562978586 /nfs/dbraw/zinc/97/85/86/562978586.db2.gz XDFDAVZFNOYQLE-QGZVFWFLSA-N 0 0 426.460 3.580 50 0 IHAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000010253041 562978589 /nfs/dbraw/zinc/97/85/89/562978589.db2.gz MMJIVJLDMSHCSB-UHFFFAOYSA-N 0 0 428.535 3.988 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000013002998 562983911 /nfs/dbraw/zinc/98/39/11/562983911.db2.gz MNKNBDBGPIFRHR-JOCHJYFZSA-N 0 0 444.622 3.711 50 0 IHAARN CCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc1OC ZINC000013012527 562984142 /nfs/dbraw/zinc/98/41/42/562984142.db2.gz ZLCCCJGQCNNENK-CMDGGOBGSA-N 0 0 436.961 3.987 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccco4)nn32)cc1 ZINC000013131221 562985033 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ZINC000084414285 568797730 /nfs/dbraw/zinc/79/77/30/568797730.db2.gz PNAQCDXBMYWQHR-VWLOTQADSA-N 0 0 441.372 3.525 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1c[nH]c2ccccc12 ZINC000015616336 568799729 /nfs/dbraw/zinc/79/97/29/568799729.db2.gz RLVGQRQVKJIBAL-UHFFFAOYSA-N 0 0 439.581 3.634 50 0 IHAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1c2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC000084752659 568800990 /nfs/dbraw/zinc/80/09/90/568800990.db2.gz WPUYRKJZHUKYEA-GOTSBHOMSA-N 0 0 434.536 3.822 50 0 IHAARN CCc1cccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1 ZINC000015657609 568801216 /nfs/dbraw/zinc/80/12/16/568801216.db2.gz XUHMDCSKDVKRGD-UHFFFAOYSA-N 0 0 442.585 3.738 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)NCc4ccco4)CC3)c2c1C ZINC000084795590 568801569 /nfs/dbraw/zinc/80/15/69/568801569.db2.gz FWSWRHXCWVRCOP-UHFFFAOYSA-N 0 0 442.541 3.611 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)c1 ZINC000015671813 568802950 /nfs/dbraw/zinc/80/29/50/568802950.db2.gz PMEZCWOCSKXNGG-UHFFFAOYSA-N 0 0 441.557 3.656 50 0 IHAARN COc1ccc(CNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000015677903 568805025 /nfs/dbraw/zinc/80/50/25/568805025.db2.gz LWDIEURKGKPIQY-QHCPKHFHSA-N 0 0 431.492 3.654 50 0 IHAARN CCOc1cc(CNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)ccc1OC ZINC000015681845 568806811 /nfs/dbraw/zinc/80/68/11/568806811.db2.gz KBRKEWYZLGFMTO-UHFFFAOYSA-N 0 0 435.524 3.951 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)C1CCCCC1 ZINC000032495794 568811474 /nfs/dbraw/zinc/81/14/74/568811474.db2.gz MGTHVVBRPKXVPZ-UHFFFAOYSA-N 0 0 449.617 3.607 50 0 IHAARN CCCCN(CC)C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726322 568812339 /nfs/dbraw/zinc/81/23/39/568812339.db2.gz DENFFGPKLCLULD-UHFFFAOYSA-N 0 0 430.549 3.614 50 0 IHAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3F)c(=O)c12 ZINC000015729845 568813662 /nfs/dbraw/zinc/81/36/62/568813662.db2.gz PNYMXOSOTRQPFX-UHFFFAOYSA-N 0 0 438.890 3.913 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2ccccc2)Cc2ccc(F)cc2)c1 ZINC000015729823 568813700 /nfs/dbraw/zinc/81/37/00/568813700.db2.gz HTUPIYTUSSHAQQ-HXUWFJFHSA-N 0 0 429.513 3.975 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)CC2)c1C ZINC000015730394 568813952 /nfs/dbraw/zinc/81/39/52/568813952.db2.gz AFISMRYLVQGNBY-INIZCTEOSA-N 0 0 445.610 3.637 50 0 IHAARN C[C@@H]1CSc2ccc(S(=O)(=O)NCc3ccc(Br)cc3)cc2NC1=O ZINC000015731206 568814530 /nfs/dbraw/zinc/81/45/30/568814530.db2.gz HFGYMUMSGPCIBL-LLVKDONJSA-N 0 0 441.372 3.608 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3F)ncc2S1(=O)=O ZINC000015731758 568814663 /nfs/dbraw/zinc/81/46/63/568814663.db2.gz DBBYEQPBSZJYPO-UHFFFAOYSA-N 0 0 444.513 3.542 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000085413719 568818700 /nfs/dbraw/zinc/81/87/00/568818700.db2.gz ZXSALKBICOOSPM-IFMALSPDSA-N 0 0 440.423 3.741 50 0 IHAARN CCOC(=O)c1cnn(C)c1NC(=O)[C@@H](CC)Sc1cc(-c2ccccc2)ncn1 ZINC000012000878 568819465 /nfs/dbraw/zinc/81/94/65/568819465.db2.gz JHPJLEDHERICKB-QGZVFWFLSA-N 0 0 425.514 3.563 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OCC(=O)c1ccccc1 ZINC000001468058 568820336 /nfs/dbraw/zinc/82/03/36/568820336.db2.gz RICOWIXXHFTCFY-UHFFFAOYSA-N 0 0 430.489 3.848 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCC1CCCCC1 ZINC000006066933 568820429 /nfs/dbraw/zinc/82/04/29/568820429.db2.gz UMQFHVQSFLZEAG-FUHWJXTLSA-N 0 0 429.586 3.753 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000015772146 568822646 /nfs/dbraw/zinc/82/26/46/568822646.db2.gz YDMHFIBBIZQERA-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)cc(=O)n2o1 ZINC000015772230 568822808 /nfs/dbraw/zinc/82/28/08/568822808.db2.gz IODPIKZESCDPNL-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN CCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2=O)s1 ZINC000015772368 568822809 /nfs/dbraw/zinc/82/28/09/568822809.db2.gz UUCAJHRAFAGQBI-UHFFFAOYSA-N 0 0 448.504 3.713 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)CSc4ccccc4)c3)cc(=O)n2o1 ZINC000015772274 568822834 /nfs/dbraw/zinc/82/28/34/568822834.db2.gz NHONAYUOMGKGEM-UHFFFAOYSA-N 0 0 449.488 3.684 50 0 IHAARN COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCCn2ccnc2)cc1 ZINC000013233250 568823137 /nfs/dbraw/zinc/82/31/37/568823137.db2.gz LPGOUBKYUPUIAO-RCCKNPSSSA-N 0 0 438.915 3.523 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(NCc3ccccc3)nn21 ZINC000015776165 568823867 /nfs/dbraw/zinc/82/38/67/568823867.db2.gz UECWQFOQNQXQCF-UHFFFAOYSA-N 0 0 436.903 3.970 50 0 IHAARN O=C(NCc1cccs1)C1=NOC2(C1)CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000001491222 568827664 /nfs/dbraw/zinc/82/76/64/568827664.db2.gz BYUYADUKBRWTFT-UHFFFAOYSA-N 0 0 433.533 3.969 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000085642856 568829349 /nfs/dbraw/zinc/82/93/49/568829349.db2.gz MWGJRHXOANXUPV-UHFFFAOYSA-N 0 0 444.988 3.962 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1 ZINC000085650015 568831321 /nfs/dbraw/zinc/83/13/21/568831321.db2.gz YGXWZJJWTIIVAR-UHFFFAOYSA-N 0 0 433.961 3.940 50 0 IHAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000085664660 568833895 /nfs/dbraw/zinc/83/38/95/568833895.db2.gz BPCWRNXHTNKQTP-UHFFFAOYSA-N 0 0 442.488 3.668 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@H]1CCCO1 ZINC000085704137 568834650 /nfs/dbraw/zinc/83/46/50/568834650.db2.gz WGPSLCYIDPUHRB-MRXNPFEDSA-N 0 0 437.525 3.863 50 0 IHAARN COc1cnc(CSc2nccc(C)n2)cc1OCC(=O)N1CCCc2ccccc21 ZINC000015824383 568840390 /nfs/dbraw/zinc/84/03/90/568840390.db2.gz GQDVMYPEVGKTNI-UHFFFAOYSA-N 0 0 436.537 3.839 50 0 IHAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000015827109 568840919 /nfs/dbraw/zinc/84/09/19/568840919.db2.gz XDIJYNUNTAMKOE-AWEZNQCLSA-N 0 0 435.933 3.698 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](COC(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000043191271 568842931 /nfs/dbraw/zinc/84/29/31/568842931.db2.gz MLOALNZCDGUYKF-NRFANRHFSA-N 0 0 438.505 3.774 50 0 IHAARN COc1cc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc(OC)c1OC ZINC000015838339 568844302 /nfs/dbraw/zinc/84/43/02/568844302.db2.gz MDUGFINMRSSVTA-UHFFFAOYSA-N 0 0 437.500 3.873 50 0 IHAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1=O ZINC000015843266 568844684 /nfs/dbraw/zinc/84/46/84/568844684.db2.gz XGJFHFSSNJWMJQ-UHFFFAOYSA-N 0 0 441.553 3.632 50 0 IHAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)C1=O ZINC000015858443 568846614 /nfs/dbraw/zinc/84/66/14/568846614.db2.gz APOTUDUWIPTJOW-SNVBAGLBSA-N 0 0 446.834 3.924 50 0 IHAARN Cc1cccc(OCCSc2nnc(Cc3c(C)nc4c(C)cccn4c3=O)n2C)c1 ZINC000015859250 568847107 /nfs/dbraw/zinc/84/71/07/568847107.db2.gz BRIINCCRSJAQIJ-UHFFFAOYSA-N 0 0 435.553 3.510 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882611 568856960 /nfs/dbraw/zinc/85/69/60/568856960.db2.gz XTFCFRMZUCGCCK-HSZRJFAPSA-N 0 0 448.954 3.898 50 0 IHAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882591 568857165 /nfs/dbraw/zinc/85/71/65/568857165.db2.gz AAXSZEGPMGHIOX-HSZRJFAPSA-N 0 0 428.536 3.553 50 0 IHAARN COc1ccc(-c2ccc(OCCNC(=O)c3ccccc3Br)nn2)cc1 ZINC000015884376 568858065 /nfs/dbraw/zinc/85/80/65/568858065.db2.gz WPBJXGSBHMUZNM-UHFFFAOYSA-N 0 0 428.286 3.724 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC(F)F)cc2)c1 ZINC000015913818 568858668 /nfs/dbraw/zinc/85/86/68/568858668.db2.gz NEJOGNXKNBGRAL-SFHVURJKSA-N 0 0 449.479 3.737 50 0 IHAARN COc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc(OC)c1OC ZINC000012938474 568867693 /nfs/dbraw/zinc/86/76/93/568867693.db2.gz GHDOHAYBFNIDAS-UHFFFAOYSA-N 0 0 439.508 3.951 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000016047977 568869323 /nfs/dbraw/zinc/86/93/23/568869323.db2.gz DYPWJRYINZWJIP-UHFFFAOYSA-N 0 0 448.497 3.523 50 0 IHAARN CCOC(CCn1c(SCC(=O)N2CCCCCC2)nc2ccccc2c1=O)OCC ZINC000016265119 568875160 /nfs/dbraw/zinc/87/51/60/568875160.db2.gz JNQAGABXSKDSGC-UHFFFAOYSA-N 0 0 447.601 3.680 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C3)ncn2)n1 ZINC000575608160 568878423 /nfs/dbraw/zinc/87/84/23/568878423.db2.gz DQSSPJJIVCRKPR-UHFFFAOYSA-N 0 0 434.397 3.512 50 0 IHAARN CC(C)c1ccc(OCC(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1 ZINC000575611677 568879243 /nfs/dbraw/zinc/87/92/43/568879243.db2.gz FTUJJJXGSANEOU-SFHVURJKSA-N 0 0 434.334 3.811 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C ZINC000575611471 568879274 /nfs/dbraw/zinc/87/92/74/568879274.db2.gz FTJNGLTVTVZLGM-VIFPVBQESA-N 0 0 448.303 3.669 50 0 IHAARN O=S(=O)(c1cccc2ccccc21)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575612557 568879460 /nfs/dbraw/zinc/87/94/60/568879460.db2.gz LFXMEJNWNFYRMX-MRXNPFEDSA-N 0 0 448.342 3.624 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)C1 ZINC000575615129 568881319 /nfs/dbraw/zinc/88/13/19/568881319.db2.gz BWWXWBMSSWRVNB-AWEZNQCLSA-N 0 0 428.480 3.626 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)CC2=O)cc1C ZINC000575619480 568882895 /nfs/dbraw/zinc/88/28/95/568882895.db2.gz MHVGXVRTNLESDB-RDPSFJRHSA-N 0 0 428.536 3.564 50 0 IHAARN O=C(Nc1nc2c(cccc2Br)s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000009599640 568884130 /nfs/dbraw/zinc/88/41/30/568884130.db2.gz DCLMONMJUBBJPN-UHFFFAOYSA-N 0 0 430.283 3.965 50 0 IHAARN O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NCc1ccc(F)cc1 ZINC000090567237 568888046 /nfs/dbraw/zinc/88/80/46/568888046.db2.gz OGTAIKKGMKBOFU-UHFFFAOYSA-N 0 0 434.393 3.610 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Nc3ccccn3)nc(C)n2)CC1 ZINC000090607927 568890669 /nfs/dbraw/zinc/89/06/69/568890669.db2.gz PHOMOKKMEMXSNI-UHFFFAOYSA-N 0 0 438.919 3.548 50 0 IHAARN CN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1 ZINC000012978980 568891765 /nfs/dbraw/zinc/89/17/65/568891765.db2.gz UHETXJHWMLFMLC-UHFFFAOYSA-N 0 0 442.459 3.649 50 0 IHAARN O=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000013125965 568892823 /nfs/dbraw/zinc/89/28/23/568892823.db2.gz RVKGFJOAOSKMHQ-MDWZMJQESA-N 0 0 439.364 3.681 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)C2)s1 ZINC000012982282 568894575 /nfs/dbraw/zinc/89/45/75/568894575.db2.gz JSRYQVQCNDXVJJ-HOCLYGCPSA-N 0 0 426.991 3.988 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)s2)cs1 ZINC000012982643 568894755 /nfs/dbraw/zinc/89/47/55/568894755.db2.gz JRDAGXZEYJRSDP-UHFFFAOYSA-N 0 0 433.580 3.551 50 0 IHAARN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 ZINC000040135139 568896460 /nfs/dbraw/zinc/89/64/60/568896460.db2.gz RWHFTQXZMUOODE-VAWYXSNFSA-N 0 0 429.467 3.697 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012996328 568896845 /nfs/dbraw/zinc/89/68/45/568896845.db2.gz XEHVPXSKWPUMHJ-NHYWBVRUSA-N 0 0 426.888 3.674 50 0 IHAARN COC(=O)CCCCCNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012997909 568896930 /nfs/dbraw/zinc/89/69/30/568896930.db2.gz OVDPSXAKTMXLMC-INIZCTEOSA-N 0 0 446.617 3.794 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012998910 568897847 /nfs/dbraw/zinc/89/78/47/568897847.db2.gz ZNFTUUPFBNVYLM-IBGZPJMESA-N 0 0 438.480 3.555 50 0 IHAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)s1 ZINC000013002115 568898247 /nfs/dbraw/zinc/89/82/47/568898247.db2.gz WPOWVZPMTKMUNB-UHFFFAOYSA-N 0 0 429.567 3.787 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000013010671 568899929 /nfs/dbraw/zinc/89/99/29/568899929.db2.gz QJXORIQJVCIIDT-UHFFFAOYSA-N 0 0 438.311 3.664 50 0 IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 ZINC000100821210 568900386 /nfs/dbraw/zinc/90/03/86/568900386.db2.gz LHUSZDQTPUOKGJ-ANZZGNCFSA-N 0 0 443.594 3.934 50 0 IHAARN Cc1cccc(-c2nnc(Sc3nc(C(F)(F)F)nc4ccccc43)n2CC(N)=O)c1 ZINC000013013077 568901334 /nfs/dbraw/zinc/90/13/34/568901334.db2.gz NNXJJWLUHAFLKN-UHFFFAOYSA-N 0 0 444.442 3.852 50 0 IHAARN CCOc1cc2c(cc1NC(=O)CSc1nncn1-c1ccc(OC)cc1)O[C@H](C)C2 ZINC000026612391 568902907 /nfs/dbraw/zinc/90/29/07/568902907.db2.gz LSIMNWZRRYSQCO-CQSZACIVSA-N 0 0 440.525 3.729 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCCc3c4ccccc4[nH]c31)C=C2 ZINC000524729141 568903566 /nfs/dbraw/zinc/90/35/66/568903566.db2.gz FUIOUNLGTBJHJW-OAQYLSRUSA-N 0 0 445.519 3.734 50 0 biogenic IHAARN O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ncc[nH]1 ZINC000524729251 568904023 /nfs/dbraw/zinc/90/40/23/568904023.db2.gz LIVQUTCQFPIRRS-OAQYLSRUSA-N 0 0 429.480 3.724 50 0 biogenic IHAARN CN(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035723653 568908301 /nfs/dbraw/zinc/90/83/01/568908301.db2.gz CMFHDVIDWWDIDM-MRXNPFEDSA-N 0 0 429.933 3.680 50 0 IHAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccs1 ZINC000006458917 568909396 /nfs/dbraw/zinc/90/93/96/568909396.db2.gz MGRXXQOFNZKEHB-XDHOZWIPSA-N 0 0 434.498 3.746 50 0 IHAARN CCOc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239339057 568911281 /nfs/dbraw/zinc/91/12/81/568911281.db2.gz LQEIJWJNUWOURT-APDHKMKFSA-N 0 0 448.556 3.524 50 0 IHAARN CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)cc1 ZINC000239415460 568911484 /nfs/dbraw/zinc/91/14/84/568911484.db2.gz UMVPNPOVKATLAH-SLFFLAALSA-N 0 0 440.341 3.547 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000240471627 568911975 /nfs/dbraw/zinc/91/19/75/568911975.db2.gz GDICJEDWBSWSJM-VLOVJHOKSA-N 0 0 440.543 3.741 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)c1 ZINC000241694019 568912397 /nfs/dbraw/zinc/91/23/97/568912397.db2.gz QJSHHDQTASZPBQ-BVYCBKJFSA-N 0 0 446.613 3.765 50 0 IHAARN O=C(CN1C(=O)C(=CC=Cc2ccccc2)NC1=S)Nc1cccc(C(F)(F)F)c1 ZINC000001893257 568917741 /nfs/dbraw/zinc/91/77/41/568917741.db2.gz WKLMEZVZMVLAGT-BJXWFGTRSA-N 0 0 431.439 3.958 50 0 IHAARN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1 ZINC000089286286 568918340 /nfs/dbraw/zinc/91/83/40/568918340.db2.gz UJLAJHYPMMSQKL-UHFFFAOYSA-N 0 0 443.352 3.829 50 0 IHAARN CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1(Sc1ccccc1)Sc1ccccc1 ZINC000006461761 568918398 /nfs/dbraw/zinc/91/83/98/568918398.db2.gz ANJDKLFQCVWTQW-MRXNPFEDSA-N 0 0 432.592 3.673 50 0 IHAARN CN1CC[C@]2(N3CCOCC3)[C@H](C1)N=NN2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000248087811 568918802 /nfs/dbraw/zinc/91/88/02/568918802.db2.gz SWFOFFUNLSUYTM-JKSUJKDBSA-N 0 0 437.388 3.644 50 0 IHAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000248251560 568919137 /nfs/dbraw/zinc/91/91/37/568919137.db2.gz JDZOWKQXEHPTLN-BFMBIBTESA-N 0 0 448.604 3.687 50 0 IHAARN CC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCc3ccccc3)cc1)C(=O)CO2 ZINC000016532928 568920581 /nfs/dbraw/zinc/92/05/81/568920581.db2.gz TWPRVJJBNILRCA-UHFFFAOYSA-N 0 0 428.488 3.787 50 0 IHAARN CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccc(F)cc3)c1)C(=O)CO2 ZINC000016532926 568920600 /nfs/dbraw/zinc/92/06/00/568920600.db2.gz FHHPKKVDCMGGPN-UHFFFAOYSA-N 0 0 432.451 3.884 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001917040 568922620 /nfs/dbraw/zinc/92/26/20/568922620.db2.gz DUVLZNCYLOFADO-LJQANCHMSA-N 0 0 442.899 3.841 50 0 IHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000001935072 568923483 /nfs/dbraw/zinc/92/34/83/568923483.db2.gz MLMTUSCAIQHXJH-BQYQJAHWSA-N 0 0 439.386 3.926 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSCC(=O)Nc1ccc(OC)cc1 ZINC000001944888 568923615 /nfs/dbraw/zinc/92/36/15/568923615.db2.gz GCKUJGHLOGNOQF-UHFFFAOYSA-N 0 0 436.555 3.861 50 0 IHAARN CCN(CC)c1nc(N=NCc2ccc(OC)cc2OC)nc(NCc2ccccc2)n1 ZINC000252590676 568925144 /nfs/dbraw/zinc/92/51/44/568925144.db2.gz AUJXEGUKKVTGSQ-UHFFFAOYSA-N 0 0 435.532 3.793 50 0 IHAARN Cc1[nH]c2ccccc2c1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000252618622 568926102 /nfs/dbraw/zinc/92/61/02/568926102.db2.gz LIVLBLCCUBQPEM-UHFFFAOYSA-N 0 0 446.490 3.827 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 ZINC000016635637 568926754 /nfs/dbraw/zinc/92/67/54/568926754.db2.gz HMXFPQCJTAFKBP-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN CCC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1cc(Br)ccc1N(C)C2=O ZINC000008876869 568927339 /nfs/dbraw/zinc/92/73/39/568927339.db2.gz BLSQCXQEGWDTPP-QFIPXVFZSA-N 0 0 438.325 3.945 50 0 biogenic IHAARN CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1cc(Br)ccc1N(C)C2=O ZINC000008876867 568927355 /nfs/dbraw/zinc/92/73/55/568927355.db2.gz BLSQCXQEGWDTPP-JOCHJYFZSA-N 0 0 438.325 3.945 50 0 biogenic IHAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCC(C)C)c2=O)c1 ZINC000064438520 568928204 /nfs/dbraw/zinc/92/82/04/568928204.db2.gz DNHUWFJPVRVTOX-UHFFFAOYSA-N 0 0 435.568 3.771 50 0 IHAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O ZINC000064438449 568928256 /nfs/dbraw/zinc/92/82/56/568928256.db2.gz OHJJLWPMRLQDDF-UHFFFAOYSA-N 0 0 439.531 3.683 50 0 IHAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O ZINC000064438513 568928279 /nfs/dbraw/zinc/92/82/79/568928279.db2.gz JKTVCNXVXRGLEB-UHFFFAOYSA-N 0 0 441.959 3.807 50 0 IHAARN CCC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450810 568928888 /nfs/dbraw/zinc/92/88/88/568928888.db2.gz BPSJXBGUHSIONV-UHFFFAOYSA-N 0 0 430.553 3.866 50 0 IHAARN Cc1nn(-c2ccc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc2)c(C)c1Cl ZINC000089520875 568929802 /nfs/dbraw/zinc/92/98/02/568929802.db2.gz PXLBYUXHJQZVEB-UHFFFAOYSA-N 0 0 438.959 3.979 50 0 IHAARN CO[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000079013362 568930680 /nfs/dbraw/zinc/93/06/80/568930680.db2.gz MVTZTUZXJFKYEY-CQSZACIVSA-N 0 0 429.325 3.655 50 0 IHAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1cccnc1Cl)C2 ZINC000064566111 568932817 /nfs/dbraw/zinc/93/28/17/568932817.db2.gz XDIKYDUELVHOCG-UHFFFAOYSA-N 0 0 438.850 3.523 50 0 IHAARN Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000064566011 568932863 /nfs/dbraw/zinc/93/28/63/568932863.db2.gz FWSBZZLUZCDKTB-UHFFFAOYSA-N 0 0 431.945 3.537 50 0 IHAARN C[C@@H](NC(=O)c1ccc(N2C(=O)C=C(N3CCC(C)CC3)C2=O)cc1)c1ccc(F)cc1 ZINC000064567210 568933401 /nfs/dbraw/zinc/93/34/01/568933401.db2.gz VXMBMAISIQLUGF-QGZVFWFLSA-N 0 0 435.499 3.806 50 0 IHAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)O2)c1OC(C)=O ZINC000064567823 568933872 /nfs/dbraw/zinc/93/38/72/568933872.db2.gz OPDBPTJHLSHUQD-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C(C)C)cc4)nnc3c2=O)cc1 ZINC000064593144 568935808 /nfs/dbraw/zinc/93/58/08/568935808.db2.gz GTXTVNXCTXHNEH-UHFFFAOYSA-N 0 0 449.536 3.743 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064593932 568936140 /nfs/dbraw/zinc/93/61/40/568936140.db2.gz KFYIXPKQQROIKZ-UHFFFAOYSA-N 0 0 449.536 3.627 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)cc1 ZINC000026990884 568936843 /nfs/dbraw/zinc/93/68/43/568936843.db2.gz OFQGNUMFNFEXNB-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN CCCCCC(=O)N[C@@H](NC(=S)NNc1ccccc1O)C(Cl)(Cl)Cl ZINC000027026390 568939500 /nfs/dbraw/zinc/93/95/00/568939500.db2.gz HKZJLIDFHKBVIS-ZDUSSCGKSA-N 0 0 427.785 3.576 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O ZINC000006631537 568941960 /nfs/dbraw/zinc/94/19/60/568941960.db2.gz ZSQMVQSVKXPSBO-CQSZACIVSA-N 0 0 443.525 3.930 50 0 IHAARN CCCCn1c(SCC(=O)NCc2ccco2)nc2c3cccnc3sc2c1=O ZINC000064699679 568944382 /nfs/dbraw/zinc/94/43/82/568944382.db2.gz BOSGPKWOPJOHDY-UHFFFAOYSA-N 0 0 428.539 3.808 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)cc2c1C ZINC000006661660 568944581 /nfs/dbraw/zinc/94/45/81/568944581.db2.gz UTAFJKCNOOOADK-UHFFFAOYSA-N 0 0 425.554 3.548 50 0 IHAARN COCCOc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000064762681 568952871 /nfs/dbraw/zinc/95/28/71/568952871.db2.gz ZAMYCEGXBYABGF-MRXNPFEDSA-N 0 0 448.445 3.793 50 0 IHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(C)=O)c1 ZINC000036117471 568955782 /nfs/dbraw/zinc/95/57/82/568955782.db2.gz XLOZYMXXTRIVLB-NRFANRHFSA-N 0 0 428.554 3.520 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787656 568956327 /nfs/dbraw/zinc/95/63/27/568956327.db2.gz IWUSAFJXXBKPJA-QHCPKHFHSA-N 0 0 429.520 3.869 50 0 IHAARN CC(C)Oc1ccccc1[C@H]1OCCn2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000064788132 568956464 /nfs/dbraw/zinc/95/64/64/568956464.db2.gz QEXWVNOLTRSCMF-XMMPIXPASA-N 0 0 445.519 3.613 50 0 IHAARN CCc1ccc([C@@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788223 568956609 /nfs/dbraw/zinc/95/66/09/568956609.db2.gz KNWDUJLSURXMAA-DEOSSOPVSA-N 0 0 429.520 3.696 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788261 568956617 /nfs/dbraw/zinc/95/66/17/568956617.db2.gz LJNJCPSXQXYXBL-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119523 568956756 /nfs/dbraw/zinc/95/67/56/568956756.db2.gz IEAASSLULZMBGZ-NRFANRHFSA-N 0 0 444.597 3.774 50 0 IHAARN CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000064791345 568957571 /nfs/dbraw/zinc/95/75/71/568957571.db2.gz XSLNHYSLAVWPDN-UHFFFAOYSA-N 0 0 440.503 3.897 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H]1CCCO1 ZINC000036122062 568958184 /nfs/dbraw/zinc/95/81/84/568958184.db2.gz MTPLCBFFQNUCNV-PZJWPPBQSA-N 0 0 442.581 3.589 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)NCC ZINC000036123650 568958646 /nfs/dbraw/zinc/95/86/46/568958646.db2.gz XPQHHCXGNTUHRW-LJQANCHMSA-N 0 0 433.549 3.834 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C1CC1 ZINC000036123964 568958723 /nfs/dbraw/zinc/95/87/23/568958723.db2.gz JHAVIOROAYPTAE-LJQANCHMSA-N 0 0 427.570 3.755 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791858 568959099 /nfs/dbraw/zinc/95/90/99/568959099.db2.gz LTUHCPJFACAMID-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)N1CCCCC1 ZINC000064792864 568959437 /nfs/dbraw/zinc/95/94/37/568959437.db2.gz NITMPALWVDHHAC-NRFANRHFSA-N 0 0 434.931 3.790 50 0 IHAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)N3CCCCCC3)c3nnnn32)cc1 ZINC000064793059 568959525 /nfs/dbraw/zinc/95/95/25/568959525.db2.gz QIDIITXPEHLOMW-QHCPKHFHSA-N 0 0 428.540 3.835 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)N1CCCCC1 ZINC000064793561 568959748 /nfs/dbraw/zinc/95/97/48/568959748.db2.gz MNFXMACWBFECBB-OAQYLSRUSA-N 0 0 434.931 3.790 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NCc2ccco2)cc1 ZINC000064793439 568959795 /nfs/dbraw/zinc/95/97/95/568959795.db2.gz MRBRTSOWUKUQMG-QHCPKHFHSA-N 0 0 440.507 3.650 50 0 IHAARN COc1cccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146435 568962725 /nfs/dbraw/zinc/96/27/25/568962725.db2.gz GQIYZWJBAHIZBS-UPVQGACJSA-N 0 0 444.547 3.863 50 0 IHAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)NC(C)C)c1 ZINC000006722099 568963072 /nfs/dbraw/zinc/96/30/72/568963072.db2.gz DZBZVWVASJSTQG-UHFFFAOYSA-N 0 0 430.524 3.597 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)NC3CCCCC3)n(Cc3cccs3)c(=O)c21 ZINC000064817523 568964745 /nfs/dbraw/zinc/96/47/45/568964745.db2.gz ZXOSBELQYIZUDT-UHFFFAOYSA-N 0 0 445.614 3.572 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C)cc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000064816431 568965189 /nfs/dbraw/zinc/96/51/89/568965189.db2.gz FMQLAEPNKOAPBO-RUZDIDTESA-N 0 0 432.524 3.552 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036157491 568966065 /nfs/dbraw/zinc/96/60/65/568966065.db2.gz QCQXBMQABZTQFX-HSZRJFAPSA-N 0 0 435.568 3.514 50 0 IHAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036158630 568966723 /nfs/dbraw/zinc/96/67/23/568966723.db2.gz ZSJFQEVALGRBHX-GOSISDBHSA-N 0 0 441.597 3.653 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C(C)C)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167492 568967694 /nfs/dbraw/zinc/96/76/94/568967694.db2.gz FNELDVAYILBSSC-QFIPXVFZSA-N 0 0 432.492 3.904 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000064835762 568969000 /nfs/dbraw/zinc/96/90/00/568969000.db2.gz KBCVRWMTCXXLCV-UHFFFAOYSA-N 0 0 449.935 3.949 50 0 IHAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064837188 568969522 /nfs/dbraw/zinc/96/95/22/568969522.db2.gz QACWXCUYCOQQCN-UHFFFAOYSA-N 0 0 437.565 3.643 50 0 IHAARN COc1cc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)nn2)cc(OC)c1OC ZINC000064837876 568970042 /nfs/dbraw/zinc/97/00/42/568970042.db2.gz GDXXCVHRBQJXAL-UHFFFAOYSA-N 0 0 437.431 3.971 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5F)CC4)nn3)n2)cc1 ZINC000064838018 568970087 /nfs/dbraw/zinc/97/00/87/568970087.db2.gz FNEDYNYPDOBTOD-UHFFFAOYSA-N 0 0 432.459 3.668 50 0 IHAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)C(C)C ZINC000036208096 568973183 /nfs/dbraw/zinc/97/31/83/568973183.db2.gz GLQOPUZPKNJTGX-UHFFFAOYSA-N 0 0 428.577 3.505 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208554 568973361 /nfs/dbraw/zinc/97/33/61/568973361.db2.gz QDYLEPPHVFGUBG-HSZRJFAPSA-N 0 0 441.616 3.781 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208452 568973382 /nfs/dbraw/zinc/97/33/82/568973382.db2.gz DWDGXKCNGANBFV-KKSFZXQISA-N 0 0 433.568 3.514 50 0 IHAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCCO4)c2)on1 ZINC000064866228 568974240 /nfs/dbraw/zinc/97/42/40/568974240.db2.gz DRSHCRZGTQNMRY-UHFFFAOYSA-N 0 0 442.493 3.532 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(C)cc4)sc3C2)cc1OC ZINC000064868315 568975503 /nfs/dbraw/zinc/97/55/03/568975503.db2.gz ZMHUZBRROAGLKO-UHFFFAOYSA-N 0 0 430.551 3.883 50 0 IHAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC3)c1 ZINC000064868305 568975523 /nfs/dbraw/zinc/97/55/23/568975523.db2.gz FBYDNZXTLVUDHR-UHFFFAOYSA-N 0 0 428.535 3.768 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036212157 568975997 /nfs/dbraw/zinc/97/59/97/568975997.db2.gz QCKNGINHWKVYRP-WMZHIEFXSA-N 0 0 429.605 3.539 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(SC)c2)c2cc(C)c(C)cc2N1 ZINC000064869420 568976039 /nfs/dbraw/zinc/97/60/39/568976039.db2.gz YAWDMKKCNJNDOE-UHFFFAOYSA-N 0 0 439.537 3.870 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036213128 568976860 /nfs/dbraw/zinc/97/68/60/568976860.db2.gz WHYRXNQCGHARHT-RDPSFJRHSA-N 0 0 449.595 3.869 50 0 IHAARN CC(C)C(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)NC2CC2)cc1 ZINC000036215332 568977452 /nfs/dbraw/zinc/97/74/52/568977452.db2.gz FKZWVSUJCVWVTQ-RTWAWAEBSA-N 0 0 439.487 3.761 50 0 IHAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000064888026 568979111 /nfs/dbraw/zinc/97/91/11/568979111.db2.gz WPQXZXZZHKBBCG-UHFFFAOYSA-N 0 0 449.561 3.995 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000064888196 568979294 /nfs/dbraw/zinc/97/92/94/568979294.db2.gz XPWTWUJDLXVMSC-UHFFFAOYSA-N 0 0 434.521 3.640 50 0 IHAARN COc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000064888053 568979429 /nfs/dbraw/zinc/97/94/29/568979429.db2.gz NKSRMZVXUWHWDZ-UHFFFAOYSA-N 0 0 425.485 3.830 50 0 IHAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2nc(C)c1=O ZINC000064890321 568981275 /nfs/dbraw/zinc/98/12/75/568981275.db2.gz JIDPIVZBRUYLGU-GOSISDBHSA-N 0 0 443.507 3.912 50 0 IHAARN COc1ccc(-n2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2-c2cccnc2)cc1 ZINC000064919470 568985249 /nfs/dbraw/zinc/98/52/49/568985249.db2.gz BCQVATIHLYOHFF-UHFFFAOYSA-N 0 0 428.448 3.602 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000064924797 568986457 /nfs/dbraw/zinc/98/64/57/568986457.db2.gz VJECTEGJJDJIPY-UHFFFAOYSA-N 0 0 448.527 3.569 50 0 IHAARN COc1cccc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000064927948 568986832 /nfs/dbraw/zinc/98/68/32/568986832.db2.gz APEIHHUXPGETSA-UHFFFAOYSA-N 0 0 438.915 3.750 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927465 568987154 /nfs/dbraw/zinc/98/71/54/568987154.db2.gz RQRRZHBFNCPYPR-UHFFFAOYSA-N 0 0 428.414 3.505 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927555 568987266 /nfs/dbraw/zinc/98/72/66/568987266.db2.gz DJJISHJDQRRFHY-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccccc4)C3)ccc2=O)cc1 ZINC000064928336 568987417 /nfs/dbraw/zinc/98/74/17/568987417.db2.gz ACEIJDPLRNCLAZ-SIKLNZKXSA-N 0 0 430.552 3.889 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064929220 568988108 /nfs/dbraw/zinc/98/81/08/568988108.db2.gz DMVMGEQDBWIQNT-UHFFFAOYSA-N 0 0 440.544 3.746 50 0 IHAARN O=C(NCc1cc(F)ccc1F)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681112 568991477 /nfs/dbraw/zinc/99/14/77/568991477.db2.gz XGDYFDULCSANGE-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN O=C(NCCc1cccs1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681162 568991652 /nfs/dbraw/zinc/99/16/52/568991652.db2.gz TUVKRAITQLRXKI-UHFFFAOYSA-N 0 0 446.507 3.871 50 0 IHAARN Cc1ccc(C)c(N2CCN(c3ccc(S(=O)(=O)c4ccc(C)c(C)c4)nn3)CC2)c1 ZINC000064943014 568992248 /nfs/dbraw/zinc/99/22/48/568992248.db2.gz AIFFVPATMQWWQQ-UHFFFAOYSA-N 0 0 436.581 3.870 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1ccc(NCc2ccc3c(c2)OCO3)nn1 ZINC000064945220 568993456 /nfs/dbraw/zinc/99/34/56/568993456.db2.gz OYMKAXCMXNMAPH-UHFFFAOYSA-N 0 0 426.473 3.996 50 0 IHAARN Cc1ccccc1Cn1nc2n(c3ccsc3c(=O)n2Cc2ccc(Cl)cc2)c1=O ZINC000064946440 568994302 /nfs/dbraw/zinc/99/43/02/568994302.db2.gz YDTUVDCIVGDBDW-UHFFFAOYSA-N 0 0 436.924 3.931 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036304350 568994578 /nfs/dbraw/zinc/99/45/78/568994578.db2.gz XPQXATYAALEBHR-GOSISDBHSA-N 0 0 425.529 3.811 50 0 IHAARN O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Br)cc1F ZINC000064948885 568994816 /nfs/dbraw/zinc/99/48/16/568994816.db2.gz YCZCSYPNUXOCCR-UHFFFAOYSA-N 0 0 432.278 3.910 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=S)Nc3ccc(F)cc3)CC2)CC1 ZINC000036311121 568996869 /nfs/dbraw/zinc/99/68/69/568996869.db2.gz HEHZDRZXNJPOCT-JOCHJYFZSA-N 0 0 446.636 3.957 50 0 IHAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 ZINC000064951910 568997151 /nfs/dbraw/zinc/99/71/51/568997151.db2.gz ONTHFKDOIFIPQW-LBPRGKRZSA-N 0 0 429.860 3.936 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@@H](C(=O)Nc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000036311945 568997416 /nfs/dbraw/zinc/99/74/16/568997416.db2.gz ICCKDBPGORNXTL-XMMPIXPASA-N 0 0 449.551 3.679 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccccc4C)c(=O)[nH]c3C2)cc1OC ZINC000064959206 568999824 /nfs/dbraw/zinc/99/98/24/568999824.db2.gz MFZJNEYPOAYDBT-MRXNPFEDSA-N 0 0 432.476 3.866 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970889 569076415 /nfs/dbraw/zinc/07/64/15/569076415.db2.gz OIVUASXVDZEYMT-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NC4CCCCC4)c3=O)n2)cc1 ZINC000064971907 569076853 /nfs/dbraw/zinc/07/68/53/569076853.db2.gz NZVSVKQISPUHSW-UHFFFAOYSA-N 0 0 436.512 3.640 50 0 IHAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)COc3ccccc3)cc(=O)n12 ZINC000064976797 569077263 /nfs/dbraw/zinc/07/72/63/569077263.db2.gz PRYGZQGFUUNJKI-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000064977505 569077679 /nfs/dbraw/zinc/07/76/79/569077679.db2.gz UDIKNSXETAVMTN-UHFFFAOYSA-N 0 0 426.432 3.903 50 0 IHAARN CCCCOC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340314 569078768 /nfs/dbraw/zinc/07/87/68/569078768.db2.gz LMJDSUTWZIBRPT-XMMPIXPASA-N 0 0 440.632 3.601 50 0 IHAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3)C2)c1 ZINC000036342615 569079450 /nfs/dbraw/zinc/07/94/50/569079450.db2.gz IWEPWPCBTMHYOS-XMMPIXPASA-N 0 0 433.552 3.820 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCCCC2)c(OC)c1 ZINC000036344477 569080311 /nfs/dbraw/zinc/08/03/11/569080311.db2.gz NKROFUAXZXTVRP-JOCHJYFZSA-N 0 0 437.540 3.876 50 0 IHAARN CCCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986192 569081892 /nfs/dbraw/zinc/08/18/92/569081892.db2.gz FOGTVUZGMRHSTM-FQEVSTJZSA-N 0 0 436.961 3.911 50 0 IHAARN C[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000169712116 569081909 /nfs/dbraw/zinc/08/19/09/569081909.db2.gz FRBSWGQDNLPJOW-KLHJMIIUSA-N 0 0 428.529 3.765 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccc(C)cc32)cc1 ZINC000064985785 569082107 /nfs/dbraw/zinc/08/21/07/569082107.db2.gz KFMAEKKGCZMLKI-QHCPKHFHSA-N 0 0 436.533 3.576 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccc(C)c3)Oc3ccccc32)cc1 ZINC000064986229 569082320 /nfs/dbraw/zinc/08/23/20/569082320.db2.gz WPQJDTZMXNSULV-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1)N1CCCC1 ZINC000064987172 569082385 /nfs/dbraw/zinc/08/23/85/569082385.db2.gz VNRPHRZBTNNYHU-UHFFFAOYSA-N 0 0 436.537 3.810 50 0 IHAARN COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(C)cc3)n1C)OCCCO2 ZINC000064986925 569082434 /nfs/dbraw/zinc/08/24/34/569082434.db2.gz IAOUXGSOTGAECD-UHFFFAOYSA-N 0 0 440.525 3.691 50 0 IHAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1C ZINC000064988072 569082810 /nfs/dbraw/zinc/08/28/10/569082810.db2.gz MTTOIFCFQJOTLT-CQSZACIVSA-N 0 0 431.514 3.806 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000064989930 569083154 /nfs/dbraw/zinc/08/31/54/569083154.db2.gz ZIURMKPTAHDDET-SFHVURJKSA-N 0 0 430.504 3.982 50 0 IHAARN Cc1ccc(NC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c(Cl)c1 ZINC000064991484 569083697 /nfs/dbraw/zinc/08/36/97/569083697.db2.gz MQPVBCPLMPNLHR-UHFFFAOYSA-N 0 0 445.888 3.803 50 0 IHAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c2c1 ZINC000036354316 569084169 /nfs/dbraw/zinc/08/41/69/569084169.db2.gz BHMQGRUGVXIJQN-QHCPKHFHSA-N 0 0 434.540 3.706 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)cc1 ZINC000036354290 569084226 /nfs/dbraw/zinc/08/42/26/569084226.db2.gz AOGKIYIGZSMBRD-UHFFFAOYSA-N 0 0 431.539 3.767 50 0 IHAARN CC(C)OCCCNC(=O)c1ccc2c(c1)ncn(-c1cccc(C(F)(F)F)c1)c2=O ZINC000036354868 569084368 /nfs/dbraw/zinc/08/43/68/569084368.db2.gz WKTKLCQRLRBDKE-UHFFFAOYSA-N 0 0 433.430 3.949 50 0 IHAARN COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)Cc4ccccc4)o3)n2)c1 ZINC000036358773 569085219 /nfs/dbraw/zinc/08/52/19/569085219.db2.gz NNFFZEYITVHDHT-UHFFFAOYSA-N 0 0 425.466 3.826 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999672 569086175 /nfs/dbraw/zinc/08/61/75/569086175.db2.gz HOPQAVLTMHXFOY-UHFFFAOYSA-N 0 0 446.525 3.827 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)c1 ZINC000036360035 569086526 /nfs/dbraw/zinc/08/65/26/569086526.db2.gz IDSAEEJELDFBIY-UHFFFAOYSA-N 0 0 430.555 3.938 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000036367299 569087529 /nfs/dbraw/zinc/08/75/29/569087529.db2.gz GKKYYNLCOIISLH-ZDUSSCGKSA-N 0 0 431.370 3.809 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000065006860 569087537 /nfs/dbraw/zinc/08/75/37/569087537.db2.gz HLOSCRDZISYFPJ-IBGZPJMESA-N 0 0 445.560 3.795 50 0 IHAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000065007324 569087601 /nfs/dbraw/zinc/08/76/01/569087601.db2.gz MAVFTBSJGVWFEK-UHFFFAOYSA-N 0 0 426.991 3.931 50 0 IHAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccccc3F)c2oc1C(=O)N1CCOCC1 ZINC000065010782 569088306 /nfs/dbraw/zinc/08/83/06/569088306.db2.gz UUTACBAFLOPHBD-UHFFFAOYSA-N 0 0 446.500 3.770 50 0 IHAARN CC(C)C(=O)Nc1ccc2c(c1)nc(C1C(=O)C(C(=O)N3CCCCCC3)=CN1C)n2C ZINC000036369904 569088414 /nfs/dbraw/zinc/08/84/14/569088414.db2.gz WWLYZVWEMMFHEH-UHFFFAOYSA-N 0 0 437.544 3.895 50 0 biogenic IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023660 569089396 /nfs/dbraw/zinc/08/93/96/569089396.db2.gz MPDUNCMYYDPODS-NRFANRHFSA-N 0 0 443.551 3.835 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc(COc2ccc(NC(=O)c3ccccc3F)cc2)on1 ZINC000065027103 569090139 /nfs/dbraw/zinc/09/01/39/569090139.db2.gz MYOFNKAYDOSBEF-KRWDZBQOSA-N 0 0 439.443 3.554 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC[C@H]4CCCO4)no3)cc2)cc1 ZINC000065027043 569090173 /nfs/dbraw/zinc/09/01/73/569090173.db2.gz BXSRCBTVZPGDMZ-HXUWFJFHSA-N 0 0 435.480 3.723 50 0 IHAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCc2ccccc2OC)n1 ZINC000065024915 569090202 /nfs/dbraw/zinc/09/02/02/569090202.db2.gz NXDIKADZANKCPO-UHFFFAOYSA-N 0 0 436.443 3.690 50 0 IHAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)Nc4ccccc4F)nn3)CC2)c1 ZINC000065026121 569090831 /nfs/dbraw/zinc/09/08/31/569090831.db2.gz GQZFVOHIEXYADH-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4onc(C)c4C)s3)CC2)c1 ZINC000065031258 569091422 /nfs/dbraw/zinc/09/14/22/569091422.db2.gz PYTKFALWZXSKQA-UHFFFAOYSA-N 0 0 433.555 3.539 50 0 IHAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1cccc(Cl)c1)C3 ZINC000065034831 569091911 /nfs/dbraw/zinc/09/19/11/569091911.db2.gz LCRAHTSFYYCXHA-UHFFFAOYSA-N 0 0 430.335 3.818 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1 ZINC000065033488 569091930 /nfs/dbraw/zinc/09/19/30/569091930.db2.gz QODFFSNLBRGVBG-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)cc1C ZINC000169750955 569092129 /nfs/dbraw/zinc/09/21/29/569092129.db2.gz CRJVPWXLCFVTCM-UHFFFAOYSA-N 0 0 425.492 3.691 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1Cl ZINC000065034656 569092270 /nfs/dbraw/zinc/09/22/70/569092270.db2.gz HQAXRCZGYDLFBR-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)cc1 ZINC000065034760 569092304 /nfs/dbraw/zinc/09/23/04/569092304.db2.gz LUOGLKRQRQXUJP-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Cc1oc(-c2cccs2)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000036385456 569093041 /nfs/dbraw/zinc/09/30/41/569093041.db2.gz WCGHGWWNACIXKZ-UHFFFAOYSA-N 0 0 444.003 3.933 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1OC ZINC000169753203 569093130 /nfs/dbraw/zinc/09/31/30/569093130.db2.gz DFVPOBCEYPOMAF-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN Cc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1C ZINC000169755720 569093567 /nfs/dbraw/zinc/09/35/67/569093567.db2.gz YVKVHCFLTQDFMB-UHFFFAOYSA-N 0 0 430.464 3.981 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1C ZINC000169754949 569093959 /nfs/dbraw/zinc/09/39/59/569093959.db2.gz KKKHJIDOIIYEDO-UHFFFAOYSA-N 0 0 428.330 3.980 50 0 IHAARN CC(C)c1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)cc1 ZINC000169758022 569094299 /nfs/dbraw/zinc/09/42/99/569094299.db2.gz YBEWKMVGAMJINF-NRFANRHFSA-N 0 0 439.899 3.979 50 0 IHAARN CCOCCCNC(=O)CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1 ZINC000065056207 569094839 /nfs/dbraw/zinc/09/48/39/569094839.db2.gz ODMDUACFNUQUAS-UHFFFAOYSA-N 0 0 437.544 3.751 50 0 IHAARN CCOc1ccc(CNC(=O)CCc2nc3onc(C)c3c(N3CCCCCC3)n2)cc1 ZINC000065056616 569094874 /nfs/dbraw/zinc/09/48/74/569094874.db2.gz ZGXCSVNONMUHBM-UHFFFAOYSA-N 0 0 437.544 3.954 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(OC)cc3OC)C2)c1 ZINC000065058861 569095645 /nfs/dbraw/zinc/09/56/45/569095645.db2.gz ZXXKLBOPZMPRAN-DEOSSOPVSA-N 0 0 441.528 3.663 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000065059458 569096086 /nfs/dbraw/zinc/09/60/86/569096086.db2.gz AACCYKOGNYOIEE-QHCPKHFHSA-N 0 0 432.561 3.885 50 0 IHAARN COc1ccc(OC)c(-c2cn3ccn(-c4ccc(Br)cc4)c(=O)c3n2)c1 ZINC000065060541 569096278 /nfs/dbraw/zinc/09/62/78/569096278.db2.gz KZLWYFZTTZIIBB-UHFFFAOYSA-N 0 0 426.270 3.932 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)cc1F ZINC000036390878 569097516 /nfs/dbraw/zinc/09/75/16/569097516.db2.gz PBDAVEQDDRHACM-UHFFFAOYSA-N 0 0 447.513 3.750 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)CC2)c1 ZINC000036394740 569098621 /nfs/dbraw/zinc/09/86/21/569098621.db2.gz FMMNPIIBTCWPOH-UHFFFAOYSA-N 0 0 440.540 3.718 50 0 IHAARN Cc1cccc(-n2c(CN3CCN(C(=O)NC4CCCCC4)CC3)nc3cccnc32)c1 ZINC000065075401 569099614 /nfs/dbraw/zinc/09/96/14/569099614.db2.gz IAQBVEAODBEJET-UHFFFAOYSA-N 0 0 432.572 3.889 50 0 IHAARN CC(C)c1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCOCC3)no2)cc1 ZINC000065076074 569099963 /nfs/dbraw/zinc/09/99/63/569099963.db2.gz GDHVGIUVXRRUNJ-UHFFFAOYSA-N 0 0 446.511 3.521 50 0 IHAARN COc1ccccc1-c1nc(C2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)CC2)no1 ZINC000065076927 569100415 /nfs/dbraw/zinc/10/04/15/569100415.db2.gz MLWREBQYTJRXJA-UHFFFAOYSA-N 0 0 434.496 3.652 50 0 IHAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000065077805 569100685 /nfs/dbraw/zinc/10/06/85/569100685.db2.gz OFRZKCBWEQHPPX-AWEZNQCLSA-N 0 0 432.567 3.874 50 0 IHAARN O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036398590 569101456 /nfs/dbraw/zinc/10/14/56/569101456.db2.gz VJOOJYNTJGCBPI-MRXNPFEDSA-N 0 0 430.913 3.671 50 0 IHAARN O=C(c1cc(Cl)ccc1F)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778012 569102541 /nfs/dbraw/zinc/10/25/41/569102541.db2.gz VPSBKCNJWGZBKC-OAHLLOKOSA-N 0 0 438.850 3.875 50 0 IHAARN CCCN1C(=O)COc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21 ZINC000065098397 569104702 /nfs/dbraw/zinc/10/47/02/569104702.db2.gz CIEAWNJQSSZKME-QGZVFWFLSA-N 0 0 432.480 3.701 50 0 IHAARN CCOc1cc(CNC(=O)C[C@@H]2COc3ccccc3NC2=O)cc(OCC)c1OCC ZINC000065098274 569104741 /nfs/dbraw/zinc/10/47/41/569104741.db2.gz OMKINZXPDXIJTG-QGZVFWFLSA-N 0 0 442.512 3.536 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(C)cc4)no3)n2C)cc1 ZINC000065099937 569104823 /nfs/dbraw/zinc/10/48/23/569104823.db2.gz UVCLYPBAJDFDFT-UHFFFAOYSA-N 0 0 448.508 3.774 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065099844 569104839 /nfs/dbraw/zinc/10/48/39/569104839.db2.gz PYZZBWLWIOOFDM-UHFFFAOYSA-N 0 0 428.424 3.541 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000065099637 569105256 /nfs/dbraw/zinc/10/52/56/569105256.db2.gz IMVIBSXRURFHLY-UHFFFAOYSA-N 0 0 442.545 3.565 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)c1 ZINC000065099580 569105310 /nfs/dbraw/zinc/10/53/10/569105310.db2.gz NVPAYWGLEAIIMC-UHFFFAOYSA-N 0 0 446.536 3.816 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(F)cc4)no3)n2C)cc1 ZINC000065099786 569105393 /nfs/dbraw/zinc/10/53/93/569105393.db2.gz MIEQYUMGFKQLQK-UHFFFAOYSA-N 0 0 438.488 3.964 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)no2)c1 ZINC000065112216 569108053 /nfs/dbraw/zinc/10/80/53/569108053.db2.gz FCNAOXLBHNCFPH-UHFFFAOYSA-N 0 0 435.452 3.592 50 0 IHAARN O=c1c2cc(-c3cccs3)nn2cnn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000065112690 569108142 /nfs/dbraw/zinc/10/81/42/569108142.db2.gz QKLYYSKSYBLHQE-UHFFFAOYSA-N 0 0 444.398 3.737 50 0 IHAARN CCOc1cccc(-c2noc(Cn3ncn4nc(-c5ccccc5Cl)cc4c3=O)n2)c1 ZINC000065112678 569108159 /nfs/dbraw/zinc/10/81/59/569108159.db2.gz AORXKHVWUSOMLE-UHFFFAOYSA-N 0 0 448.870 3.708 50 0 IHAARN Cc1c(F)cccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1 ZINC000065130178 569109013 /nfs/dbraw/zinc/10/90/13/569109013.db2.gz UYRNDXYTYISANU-UHFFFAOYSA-N 0 0 431.467 3.762 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000065131161 569109289 /nfs/dbraw/zinc/10/92/89/569109289.db2.gz VLLIDIFPHRRBNW-UHFFFAOYSA-N 0 0 432.933 3.809 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3c(C)cccc3C)nn2)C1 ZINC000065132058 569109717 /nfs/dbraw/zinc/10/97/17/569109717.db2.gz JIQUOTBJKSNYFU-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN CSc1ccc(CNC(=O)c2ccc(NC(=O)C3CCC3)cc2N2CCOCC2)cc1 ZINC000065166290 569112564 /nfs/dbraw/zinc/11/25/64/569112564.db2.gz GKPDHNYNTJMOBU-UHFFFAOYSA-N 0 0 439.581 3.914 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165267 569112945 /nfs/dbraw/zinc/11/29/45/569112945.db2.gz UBQHQCLCIFZMAQ-UHFFFAOYSA-N 0 0 435.553 3.894 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)c(C)c1 ZINC000065179111 569113428 /nfs/dbraw/zinc/11/34/28/569113428.db2.gz UHAFQMVZOOIVAX-OAQYLSRUSA-N 0 0 436.552 3.707 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3ccc(F)c(F)c3)cccn12 ZINC000065185258 569114190 /nfs/dbraw/zinc/11/41/90/569114190.db2.gz QIRFFGDCBQCLFX-UHFFFAOYSA-N 0 0 428.464 3.965 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200108 569115058 /nfs/dbraw/zinc/11/50/58/569115058.db2.gz KOKNYDMEJJJXGM-UHFFFAOYSA-N 0 0 449.418 3.854 50 0 IHAARN CCOc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199024 569115090 /nfs/dbraw/zinc/11/50/90/569115090.db2.gz WAXUFRFLOXZDKG-UHFFFAOYSA-N 0 0 440.500 3.971 50 0 IHAARN O=C(Nc1ccc(-n2cnc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)nc1)C1CC1 ZINC000065197052 569115884 /nfs/dbraw/zinc/11/58/84/569115884.db2.gz YNSKSQCWYJMUGT-UHFFFAOYSA-N 0 0 429.524 3.711 50 0 IHAARN O=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)c1ccccc1C(F)(F)F ZINC000065202889 569116038 /nfs/dbraw/zinc/11/60/38/569116038.db2.gz WQMJLCWHIFDSFG-UHFFFAOYSA-N 0 0 440.425 3.695 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC(C)CC5)nc4)no3)CC2)c1 ZINC000065216176 569117067 /nfs/dbraw/zinc/11/70/67/569117067.db2.gz HEINNERVAYBOFS-UHFFFAOYSA-N 0 0 448.571 3.699 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000065217425 569117182 /nfs/dbraw/zinc/11/71/82/569117182.db2.gz QELKGNCIQNDURO-UHFFFAOYSA-N 0 0 434.493 3.777 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2nn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000065220025 569117296 /nfs/dbraw/zinc/11/72/96/569117296.db2.gz VSBOIICLPDMBTL-UHFFFAOYSA-N 0 0 437.521 3.580 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)[nH]n2)c1 ZINC000065225958 569117924 /nfs/dbraw/zinc/11/79/24/569117924.db2.gz VCASWRXGGPMUQL-UHFFFAOYSA-N 0 0 433.480 3.932 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)o2)cc1 ZINC000065229577 569118140 /nfs/dbraw/zinc/11/81/40/569118140.db2.gz MVUBZEDDJQKUQG-UHFFFAOYSA-N 0 0 449.530 3.749 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)cc4F)CC3)o2)cc1 ZINC000065229714 569118256 /nfs/dbraw/zinc/11/82/56/569118256.db2.gz LIWYFRPVVKEPGN-UHFFFAOYSA-N 0 0 428.439 3.556 50 0 IHAARN Cc1oc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1C(=O)N(C)C ZINC000065232193 569118596 /nfs/dbraw/zinc/11/85/96/569118596.db2.gz VYRJVRQAKCIZIC-UHFFFAOYSA-N 0 0 425.407 3.603 50 0 IHAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2C1=O ZINC000065241578 569118833 /nfs/dbraw/zinc/11/88/33/569118833.db2.gz BSMBFYRQYNLMNY-UHFFFAOYSA-N 0 0 431.420 3.933 50 0 IHAARN Cc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)sc1C(=O)NCc1ccc(C)cc1 ZINC000065233011 569119095 /nfs/dbraw/zinc/11/90/95/569119095.db2.gz UTXRIEAITGSDPX-UHFFFAOYSA-N 0 0 437.521 3.642 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@H]5CC)n4)ccn3n2)cc1 ZINC000065235868 569119448 /nfs/dbraw/zinc/11/94/48/569119448.db2.gz LGAWYHQFIJMDFI-HXUWFJFHSA-N 0 0 446.555 3.921 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239250 569120188 /nfs/dbraw/zinc/12/01/88/569120188.db2.gz KJQPGTDXENQQIH-MRXNPFEDSA-N 0 0 431.602 3.739 50 0 IHAARN C=C1C(N2CCC(NC(=O)C(C)(C)CC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239256 569120233 /nfs/dbraw/zinc/12/02/33/569120233.db2.gz WMMQSRDHKPFJLZ-UHFFFAOYSA-N 0 0 431.602 3.739 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccccc3Cl)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239359 569120384 /nfs/dbraw/zinc/12/03/84/569120384.db2.gz YWOUHPLVGQDRNB-UHFFFAOYSA-N 0 0 443.956 3.661 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239507 569120614 /nfs/dbraw/zinc/12/06/14/569120614.db2.gz RGUXRXAQSCFEMY-UHFFFAOYSA-N 0 0 437.565 3.624 50 0 IHAARN COc1ccc(OCC(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)cc1 ZINC000065240820 569120839 /nfs/dbraw/zinc/12/08/39/569120839.db2.gz CNYSNPXIJWGOBQ-UHFFFAOYSA-N 0 0 438.553 3.558 50 0 IHAARN CC(C)N1c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2Sc2ncccc2C1=O ZINC000065241428 569121038 /nfs/dbraw/zinc/12/10/38/569121038.db2.gz HVBZFHYNDQWIJH-UHFFFAOYSA-N 0 0 439.537 3.581 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000036594911 569121354 /nfs/dbraw/zinc/12/13/54/569121354.db2.gz QNSNYWIKUKERGB-WZONZLPQSA-N 0 0 446.551 3.753 50 0 IHAARN CC[C@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1nc(C(F)(F)F)cc1C ZINC000036614995 569122371 /nfs/dbraw/zinc/12/23/71/569122371.db2.gz PKDBISVMIFZCEE-CQSZACIVSA-N 0 0 448.467 3.708 50 0 IHAARN COc1cccc(-c2cc(C(=O)NC[C@H](C)Cn3nccc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616070 569122738 /nfs/dbraw/zinc/12/27/38/569122738.db2.gz YXCCNXSFPPRCEA-HNNXBMFYSA-N 0 0 432.528 3.523 50 0 IHAARN Cc1cc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Br)c2cnn(C)c2n1 ZINC000036616306 569122766 /nfs/dbraw/zinc/12/27/66/569122766.db2.gz RWMGJXZPAPWEJC-UHFFFAOYSA-N 0 0 443.280 3.675 50 0 IHAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 ZINC000036613229 569123693 /nfs/dbraw/zinc/12/36/93/569123693.db2.gz GDRYJDQMCKLOFY-CQSZACIVSA-N 0 0 432.528 3.968 50 0 IHAARN O=C(Cn1nc(C(F)F)c2c1CCC2)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000036613824 569123982 /nfs/dbraw/zinc/12/39/82/569123982.db2.gz DJVMLLJOWRJZNU-UHFFFAOYSA-N 0 0 431.409 3.609 50 0 IHAARN Cc1ccc(CNC(=O)N2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065258105 569124337 /nfs/dbraw/zinc/12/43/37/569124337.db2.gz NXYNQLAGHCGZHF-UHFFFAOYSA-N 0 0 432.528 3.739 50 0 IHAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)c4ccnn4CC)c32)c1C ZINC000036619133 569124662 /nfs/dbraw/zinc/12/46/62/569124662.db2.gz PHBLUTZTOWZDFT-CYBMUJFWSA-N 0 0 433.516 3.999 50 0 IHAARN COCCN=C1Nc2ccccc2N[C@]12CCCN(C(=O)Cc1c(F)cccc1Cl)C2 ZINC000065259883 569124803 /nfs/dbraw/zinc/12/48/03/569124803.db2.gz GFMSDLJHDRITPS-QHCPKHFHSA-N 0 0 444.938 3.775 50 0 IHAARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013120859 569125153 /nfs/dbraw/zinc/12/51/53/569125153.db2.gz KHLJPVFVGZYEDY-QHHAFSJGSA-N 0 0 438.911 3.745 50 0 IHAARN O=C(NCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036621843 569126422 /nfs/dbraw/zinc/12/64/22/569126422.db2.gz CRLNKKBISXYPND-UHFFFAOYSA-N 0 0 449.985 3.667 50 0 IHAARN COc1cccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC2CCCC2)c1OC ZINC000065265884 569127309 /nfs/dbraw/zinc/12/73/09/569127309.db2.gz FIKMGWQYBBYKHL-SANMLTNESA-N 0 0 448.567 3.654 50 0 IHAARN CCn1cc(Cl)c(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC2CCCC2)n1 ZINC000065265918 569127320 /nfs/dbraw/zinc/12/73/20/569127320.db2.gz ZYAHUUYPCUSXDG-QHCPKHFHSA-N 0 0 440.979 3.507 50 0 IHAARN COc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC2CCCC2)cc1OC ZINC000065265898 569127346 /nfs/dbraw/zinc/12/73/46/569127346.db2.gz RARBTTLRNVFPLE-SANMLTNESA-N 0 0 448.567 3.654 50 0 IHAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000524734438 569127717 /nfs/dbraw/zinc/12/77/17/569127717.db2.gz FGNSCGFUXSGRSV-UHFFFAOYSA-N 0 0 438.488 3.513 50 0 IHAARN O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734525 569127731 /nfs/dbraw/zinc/12/77/31/569127731.db2.gz NZVVXFRFHDPDKZ-INIZCTEOSA-N 0 0 437.500 3.897 50 0 IHAARN COc1ccc(-c2cc3n(n2)CCCN(S(=O)(=O)c2ccc(C)cc2C)C3)cc1OC ZINC000065270354 569128045 /nfs/dbraw/zinc/12/80/45/569128045.db2.gz VVZOAFODWPKDPA-UHFFFAOYSA-N 0 0 441.553 3.779 50 0 IHAARN CN(C(=O)Nc1ccc2c(c1)OCCO2)c1nc2c(s1)CN(Cc1ccccc1)C2=O ZINC000065273961 569128216 /nfs/dbraw/zinc/12/82/16/569128216.db2.gz FXQKNEZXRYNBNZ-UHFFFAOYSA-N 0 0 436.493 3.739 50 0 IHAARN CCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccsc5)nc4s3)CC2)CC1 ZINC000065272169 569128992 /nfs/dbraw/zinc/12/89/92/569128992.db2.gz LFYYOKZDYYENKJ-UHFFFAOYSA-N 0 0 441.626 3.800 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000065273480 569129612 /nfs/dbraw/zinc/12/96/12/569129612.db2.gz JNNBIVMIZZCYJI-CQSZACIVSA-N 0 0 432.977 3.599 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC3)CC1 ZINC000065273483 569129635 /nfs/dbraw/zinc/12/96/35/569129635.db2.gz WQDYFAGUWJUDDY-AWEZNQCLSA-N 0 0 432.977 3.599 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1 ZINC000065273678 569130024 /nfs/dbraw/zinc/13/00/24/569130024.db2.gz CCTJZOXIENJGRR-GOSISDBHSA-N 0 0 440.613 3.754 50 0 IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000065307581 569132377 /nfs/dbraw/zinc/13/23/77/569132377.db2.gz MPSJPVOZQVKSLF-HSZRJFAPSA-N 0 0 444.510 3.657 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccn1 ZINC000065307601 569132477 /nfs/dbraw/zinc/13/24/77/569132477.db2.gz RFBFFSCGUAETHD-AEFFLSMTSA-N 0 0 432.528 3.888 50 0 IHAARN COc1cc(OC)c(C(=O)Nc2ccc(I)cc2C)cc1OC ZINC000036684576 569132850 /nfs/dbraw/zinc/13/28/50/569132850.db2.gz PTSRIIQIJHMORG-UHFFFAOYSA-N 0 0 427.238 3.878 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(Nc4ccc(F)cn4)nc3C)CC2)cc1 ZINC000065306178 569133312 /nfs/dbraw/zinc/13/33/12/569133312.db2.gz BEBZMCUGHJNKES-UHFFFAOYSA-N 0 0 439.516 3.894 50 0 IHAARN C[C@@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccc(F)cc1 ZINC000065311516 569133720 /nfs/dbraw/zinc/13/37/20/569133720.db2.gz GSTHNUSCABSXTB-GOSISDBHSA-N 0 0 434.515 3.525 50 0 IHAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000065315483 569134092 /nfs/dbraw/zinc/13/40/92/569134092.db2.gz MHJQAXMOLQKZKY-LJQANCHMSA-N 0 0 437.544 3.777 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1 ZINC000065315489 569134101 /nfs/dbraw/zinc/13/41/01/569134101.db2.gz JRVCHURQAOQUMD-DLBZAZTESA-N 0 0 429.565 3.909 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)NCc1ccco1)nnc2C(C)C ZINC000036705186 569134354 /nfs/dbraw/zinc/13/43/54/569134354.db2.gz ZZCWMOAELXGPSN-UHFFFAOYSA-N 0 0 437.525 3.949 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)NC1CCCCCC1 ZINC000065318917 569134544 /nfs/dbraw/zinc/13/45/44/569134544.db2.gz CQDPFLOZVFLLDJ-UHFFFAOYSA-N 0 0 446.573 3.672 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318838 569134549 /nfs/dbraw/zinc/13/45/49/569134549.db2.gz POTXTNRXBHRXTK-UHFFFAOYSA-N 0 0 440.525 3.699 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1nc2nc(N3CCCCC3)sc2c(=O)n1C ZINC000065319481 569134912 /nfs/dbraw/zinc/13/49/12/569134912.db2.gz UHFMKMCNVNJIAW-UHFFFAOYSA-N 0 0 447.561 3.559 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065313133 569135173 /nfs/dbraw/zinc/13/51/73/569135173.db2.gz MTPCCBGYYQDOKI-UHFFFAOYSA-N 0 0 437.853 3.683 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCCN(C(=O)c4cccnc4)CC3)sc12 ZINC000065314713 569135600 /nfs/dbraw/zinc/13/56/00/569135600.db2.gz LXTBZIXCHNKDFD-UHFFFAOYSA-N 0 0 436.516 3.677 50 0 IHAARN CCOc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000065315162 569135846 /nfs/dbraw/zinc/13/58/46/569135846.db2.gz RKSNUGKRVZHIKH-UHFFFAOYSA-N 0 0 431.558 3.698 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238870677 569137561 /nfs/dbraw/zinc/13/75/61/569137561.db2.gz MUZVOCMHYKPLLY-LBPRGKRZSA-N 0 0 431.739 3.648 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 ZINC000065378465 569137620 /nfs/dbraw/zinc/13/76/20/569137620.db2.gz PQJVPGFDDVTREW-UHFFFAOYSA-N 0 0 426.586 3.911 50 0 IHAARN O=C1COc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c(Cl)cc2N1 ZINC000065579090 569139810 /nfs/dbraw/zinc/13/98/10/569139810.db2.gz VDWKGWCHQKHOHV-SFHVURJKSA-N 0 0 442.924 3.933 50 0 IHAARN COc1ccc([C@H]2CCN(C(=O)C3(C(=O)N4CC[C@@H](c5ccc(OC)cc5)C4)CC3)C2)cc1 ZINC000170593620 569141284 /nfs/dbraw/zinc/14/12/84/569141284.db2.gz JOSGTUBZYNSALV-SZPZYZBQSA-N 0 0 448.563 3.816 50 0 IHAARN Cc1cc(C)n(CCOC(=O)c2cc(I)ccc2Br)n1 ZINC000170593411 569141312 /nfs/dbraw/zinc/14/13/12/569141312.db2.gz QJNAMJUSIBMLEY-UHFFFAOYSA-N 0 0 449.086 3.724 50 0 IHAARN C=Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000170595903 569141549 /nfs/dbraw/zinc/14/15/49/569141549.db2.gz GFSVLCXNSVJHHH-UHFFFAOYSA-N 0 0 425.337 3.783 50 0 IHAARN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000170611810 569145174 /nfs/dbraw/zinc/14/51/74/569145174.db2.gz WOEBTMWJOOJHBW-IAQYHMDHSA-N 0 0 431.539 3.730 50 0 IHAARN CC(C)c1ccc([C@H](NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 ZINC000170613485 569146281 /nfs/dbraw/zinc/14/62/81/569146281.db2.gz WTPRDCXICULYEX-JOCHJYFZSA-N 0 0 427.570 3.752 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000170616352 569146625 /nfs/dbraw/zinc/14/66/25/569146625.db2.gz JQICSIJGFOGOFL-GFCCVEGCSA-N 0 0 436.331 3.887 50 0 IHAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000170621672 569147581 /nfs/dbraw/zinc/14/75/81/569147581.db2.gz ZMOPLEQAFRFLLT-UHFFFAOYSA-N 0 0 435.355 3.822 50 0 IHAARN COC(=O)CCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 ZINC000170625504 569148508 /nfs/dbraw/zinc/14/85/08/569148508.db2.gz BHPIDOULGQIMAL-UHFFFAOYSA-N 0 0 441.524 3.741 50 0 biogenic IHAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)cnc2N(C)C)c1 ZINC000170626407 569148655 /nfs/dbraw/zinc/14/86/55/569148655.db2.gz FWJXEJLTXCAKET-UHFFFAOYSA-N 0 0 425.714 3.518 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 ZINC000009910339 569150472 /nfs/dbraw/zinc/15/04/72/569150472.db2.gz MFAKDDTYHHXEGJ-DMZKTXOQSA-N 0 0 445.491 3.649 50 0 IHAARN CCOC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1oc(CO)cc(=O)c1O ZINC000071283108 569150674 /nfs/dbraw/zinc/15/06/74/569150674.db2.gz LPTXTQHLWIDJKE-NRFANRHFSA-N 0 0 438.476 3.544 50 0 IHAARN C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000009909013 569150686 /nfs/dbraw/zinc/15/06/86/569150686.db2.gz GKIBSBHYHPJFJR-SSDOTTSWSA-N 0 0 447.295 3.575 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(F)cc1 ZINC000071286790 569150912 /nfs/dbraw/zinc/15/09/12/569150912.db2.gz OMTMRBUUVJVULB-MBBOSUJBSA-N 0 0 434.518 3.717 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCS[C@H]1c1ccccc1F ZINC000010026972 569151694 /nfs/dbraw/zinc/15/16/94/569151694.db2.gz ANOOTMFEWOOYAG-IBGZPJMESA-N 0 0 445.497 3.971 50 0 IHAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)cc2C1 ZINC000010029182 569151899 /nfs/dbraw/zinc/15/18/99/569151899.db2.gz LILXTGCJKYEBFE-VIFPVBQESA-N 0 0 434.568 3.814 50 0 IHAARN CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000010218193 569153474 /nfs/dbraw/zinc/15/34/74/569153474.db2.gz GSSOUIQZOMKJCP-UHFFFAOYSA-N 0 0 449.573 3.584 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccc(C(F)(F)F)c1 ZINC000013524877 569155508 /nfs/dbraw/zinc/15/55/08/569155508.db2.gz CNGOJBHHFYFFLC-UHFFFAOYSA-N 0 0 445.376 3.758 50 0 IHAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc21 ZINC000013790880 569156997 /nfs/dbraw/zinc/15/69/97/569156997.db2.gz GQLRRGKXUBPYPR-SFHVURJKSA-N 0 0 443.594 3.810 50 0 IHAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccs1 ZINC000013894300 569157226 /nfs/dbraw/zinc/15/72/26/569157226.db2.gz MGRXXQOFNZKEHB-UNOMPAQXSA-N 0 0 434.498 3.746 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)OCc1ccccc1 ZINC000014200638 569158114 /nfs/dbraw/zinc/15/81/14/569158114.db2.gz SVPPXCOEGJJZHU-NRFANRHFSA-N 0 0 432.476 3.569 50 0 IHAARN COc1ccc(-c2nnc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)o2)cc1 ZINC000014307568 569158557 /nfs/dbraw/zinc/15/85/57/569158557.db2.gz LSMLOXOPNSRXBZ-UHFFFAOYSA-N 0 0 443.456 3.868 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)c(C)c1 ZINC000089614406 569159891 /nfs/dbraw/zinc/15/98/91/569159891.db2.gz SUCPTYKBKXQKCA-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OC(F)F ZINC000016740742 569160782 /nfs/dbraw/zinc/16/07/82/569160782.db2.gz FBZLDIUJHGUBPH-GOSISDBHSA-N 0 0 427.411 3.816 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1ccc2ccccc2n1 ZINC000016743563 569161012 /nfs/dbraw/zinc/16/10/12/569161012.db2.gz RWFVFHMEEGVGOD-UHFFFAOYSA-N 0 0 441.578 3.557 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000014670757 569161600 /nfs/dbraw/zinc/16/16/00/569161600.db2.gz SSSPCNAXORGBNZ-RUZDIDTESA-N 0 0 442.515 3.948 50 0 IHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1cccs1 ZINC000016840265 569163089 /nfs/dbraw/zinc/16/30/89/569163089.db2.gz YWDYUBHFTDLHBM-UHFFFAOYSA-N 0 0 447.560 3.760 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016841424 569163227 /nfs/dbraw/zinc/16/32/27/569163227.db2.gz LXILSTGPEUCKQF-UHFFFAOYSA-N 0 0 441.940 3.530 50 0 IHAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)Nc1cccc(F)c1 ZINC000016843101 569163598 /nfs/dbraw/zinc/16/35/98/569163598.db2.gz HPUHFHVCLVHFOC-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN O=c1[nH]nc(SCc2nc(-c3ccc(F)cc3)no2)n2nc(-c3cccs3)cc12 ZINC000016844075 569163761 /nfs/dbraw/zinc/16/37/61/569163761.db2.gz SAOUDTKPCCCXGA-UHFFFAOYSA-N 0 0 426.458 3.628 50 0 IHAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000016847942 569164160 /nfs/dbraw/zinc/16/41/60/569164160.db2.gz ITUWIGPCKATFJN-INIZCTEOSA-N 0 0 449.985 3.907 50 0 IHAARN CC(=O)O[C@H](CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 ZINC000016890644 569165572 /nfs/dbraw/zinc/16/55/72/569165572.db2.gz KCQOBXYSQDRGSX-LJQANCHMSA-N 0 0 440.521 3.781 50 0 IHAARN O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000089851119 569166205 /nfs/dbraw/zinc/16/62/05/569166205.db2.gz ZRKLIOGQWDLEFC-GOSISDBHSA-N 0 0 440.297 3.773 50 0 IHAARN C[C@@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089904859 569167113 /nfs/dbraw/zinc/16/71/13/569167113.db2.gz CRAIOAJOSMEPBD-HXUWFJFHSA-N 0 0 436.577 3.970 50 0 IHAARN COc1ccc(C(=O)NCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000016959652 569168064 /nfs/dbraw/zinc/16/80/64/569168064.db2.gz WFHLWZNZWQPTDN-UHFFFAOYSA-N 0 0 438.431 3.522 50 0 IHAARN COc1cccc2sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 ZINC000016960779 569168224 /nfs/dbraw/zinc/16/82/24/569168224.db2.gz OEBSTGMWTHINET-GFCCVEGCSA-N 0 0 437.568 3.548 50 0 IHAARN CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@@H](C)O[C@H](C)C1)C2 ZINC000089936784 569168290 /nfs/dbraw/zinc/16/82/90/569168290.db2.gz FEWQGEUZGBVJLL-IAGOWNOFSA-N 0 0 431.540 3.765 50 0 IHAARN CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)nn(CC)c2C)cc1OC ZINC000089953473 569168707 /nfs/dbraw/zinc/16/87/07/569168707.db2.gz HRULBYHZIKBLHD-OAHLLOKOSA-N 0 0 430.549 3.913 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2cccc(F)c2)nc1C ZINC000017026234 569171121 /nfs/dbraw/zinc/17/11/21/569171121.db2.gz VDGUBNZULKAYND-UHFFFAOYSA-N 0 0 427.501 3.872 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000017156383 569175165 /nfs/dbraw/zinc/17/51/65/569175165.db2.gz WZVQQSJFPVDHFO-CQSZACIVSA-N 0 0 447.900 3.687 50 0 IHAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017169431 569175250 /nfs/dbraw/zinc/17/52/50/569175250.db2.gz SEKNFXATJDMOCH-UHFFFAOYSA-N 0 0 446.529 3.771 50 0 IHAARN Cc1nnc(SCc2c(C)nc(Nc3nc(C)c4ccc(C)cc4n3)[nH]c2=O)s1 ZINC000017207159 569175991 /nfs/dbraw/zinc/17/59/91/569175991.db2.gz FOZZFUHBLNUYBS-UHFFFAOYSA-N 0 0 425.543 3.834 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cc(Br)c(OC)c(OCC)c2)n1 ZINC000014801785 569176410 /nfs/dbraw/zinc/17/64/10/569176410.db2.gz PODQCCOPYSTCDR-UHFFFAOYSA-N 0 0 443.319 3.671 50 0 IHAARN CS(=O)(=O)Oc1c(Cl)cc(Cl)cc1/C=C1/N=C(c2ccccc2F)OC1=O ZINC000002823205 569177479 /nfs/dbraw/zinc/17/74/79/569177479.db2.gz KMDGEQLUJWUYMG-VGOFMYFVSA-N 0 0 430.240 3.815 50 0 IHAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O ZINC000002087728 569178363 /nfs/dbraw/zinc/17/83/63/569178363.db2.gz ROVKXANRMCNNOH-YKSBVNFPSA-N 0 0 436.508 3.999 50 0 biogenic IHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)c1 ZINC000002100436 569179735 /nfs/dbraw/zinc/17/97/35/569179735.db2.gz APWUDJAWEKHNEF-DHLKQENFSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 ZINC000002105680 569181047 /nfs/dbraw/zinc/18/10/47/569181047.db2.gz KWADPUSLUQDVEO-AFMDSPMNSA-N 0 0 436.552 3.521 50 0 biogenic IHAARN Cn1nc2nc(N3CCC(Cc4ccccc4)CC3)nc(-c3ccc4c(c3)OCO4)c2c1N ZINC000037360715 569181566 /nfs/dbraw/zinc/18/15/66/569181566.db2.gz VKVACZNTBQUWMJ-UHFFFAOYSA-N 0 0 442.523 3.800 50 0 IHAARN COC(=O)c1cc(S(=O)(=O)Nc2cccc(C3SCCCS3)c2)ccc1O ZINC000170642185 569185521 /nfs/dbraw/zinc/18/55/21/569185521.db2.gz PTIDZJOFXLSTSD-UHFFFAOYSA-N 0 0 425.553 3.848 50 0 IHAARN COC(=O)[C@@H]1CCc2c(I)n(CCCc3cccc(F)c3)nc2C1 ZINC000252490514 569186895 /nfs/dbraw/zinc/18/68/95/569186895.db2.gz KVYDTFIFBBIGGB-CYBMUJFWSA-N 0 0 442.272 3.538 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ncnn1C(C)(C)C ZINC000252491489 569187533 /nfs/dbraw/zinc/18/75/33/569187533.db2.gz LNJWSNNQPMVDFL-UHFFFAOYSA-N 0 0 431.493 3.534 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000252492642 569187724 /nfs/dbraw/zinc/18/77/24/569187724.db2.gz MRGVWZRIXLDOMK-MRXNPFEDSA-N 0 0 435.503 3.940 50 0 IHAARN C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCCCOC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000252511794 569188928 /nfs/dbraw/zinc/18/89/28/569188928.db2.gz KNIKKEJWUBPJRE-WHBJXLRSSA-N 0 0 428.525 3.572 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000252548752 569190849 /nfs/dbraw/zinc/19/08/49/569190849.db2.gz QKAMARBHKQRDQI-UXHICEINSA-N 0 0 437.496 3.548 50 0 IHAARN CCOC(=O)c1sc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)c(C(=O)OCC)c1C ZINC000002202636 569192734 /nfs/dbraw/zinc/19/27/34/569192734.db2.gz WOKSPCINWPSKBH-KRWDZBQOSA-N 0 0 449.481 3.708 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccc(F)cc2)C(=O)NC(C)C)ccc1OC ZINC000037401862 569195130 /nfs/dbraw/zinc/19/51/30/569195130.db2.gz MBJZVVOAVRKJAH-UHFFFAOYSA-N 0 0 438.521 3.683 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C(C)=O)C2CC2)cc1 ZINC000037424016 569195547 /nfs/dbraw/zinc/19/55/47/569195547.db2.gz UVSXEYAGLXONSP-UHFFFAOYSA-N 0 0 436.917 3.577 50 0 IHAARN CC[C@H](C(=O)NCC(C)C)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037422367 569195596 /nfs/dbraw/zinc/19/55/96/569195596.db2.gz PDTYMVMKUSBEEW-GOSISDBHSA-N 0 0 431.895 3.668 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000037470621 569197459 /nfs/dbraw/zinc/19/74/59/569197459.db2.gz SYRSRFSMSANKPI-GOTSBHOMSA-N 0 0 449.482 3.724 50 0 IHAARN CN1OC[C@@H](S(=O)(=O)NCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037553397 569200372 /nfs/dbraw/zinc/20/03/72/569200372.db2.gz QNXHNVLMCWGPBQ-DNQXCXABSA-N 0 0 438.549 3.672 50 0 IHAARN CC(C)(C)OC(=O)NCCCCCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000002213917 569202191 /nfs/dbraw/zinc/20/21/91/569202191.db2.gz AUKZIACRWGRESF-UHFFFAOYSA-N 0 0 443.953 3.934 50 0 IHAARN Cc1ccc([C@@H]2c3cc(O[C@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037602743 569202502 /nfs/dbraw/zinc/20/25/02/569202502.db2.gz ZRGDHNSKUMCGCM-KBMIEXCESA-N 0 0 448.563 3.505 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000252670590 569209956 /nfs/dbraw/zinc/20/99/56/569209956.db2.gz LBYRYAHQGKMPRG-SFHVURJKSA-N 0 0 444.965 3.513 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252672066 569210007 /nfs/dbraw/zinc/21/00/07/569210007.db2.gz PBUUFPPCLHPYIE-GOSISDBHSA-N 0 0 444.965 3.513 50 0 IHAARN CCOC(=O)c1cccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002250853 569213858 /nfs/dbraw/zinc/21/38/58/569213858.db2.gz QTSRTLCJXIHTPB-UHFFFAOYSA-N 0 0 431.496 3.718 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)nc2c1 ZINC000033268622 569217653 /nfs/dbraw/zinc/21/76/53/569217653.db2.gz BWIDHJYAQSKJNS-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN CC(=O)OC[C@@]12C[C@@H](OC(C)=O)C[C@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000036370790 569257785 /nfs/dbraw/zinc/25/77/85/569257785.db2.gz IHYPOAFAUZNFQR-LTLKGDRGSA-N 0 0 448.556 3.615 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21 ZINC000100689537 569258587 /nfs/dbraw/zinc/25/85/87/569258587.db2.gz CBDNGZBGXXDVRS-GRSOWLQASA-N 0 0 435.483 3.838 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000253414142 569266171 /nfs/dbraw/zinc/26/61/71/569266171.db2.gz WPFNGTUYTLJJSF-RTWAWAEBSA-N 0 0 430.508 3.562 50 0 biogenic IHAARN COc1cc(C)c(S(=O)(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)cc1OC ZINC000253425109 569267121 /nfs/dbraw/zinc/26/71/21/569267121.db2.gz PERIQWOGXCXZIH-QFIPXVFZSA-N 0 0 428.510 3.598 50 0 IHAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)CCNS(=O)(=O)c2ccccc2C)c1 ZINC000253425292 569267196 /nfs/dbraw/zinc/26/71/96/569267196.db2.gz CHDLAXMYQOYSLV-UHFFFAOYSA-N 0 0 436.533 3.842 50 0 IHAARN CCOC(=O)c1nc(NC(=O)c2cccc(OCc3cccnc3)c2)sc1C(C)=O ZINC000253425180 569267210 /nfs/dbraw/zinc/26/72/10/569267210.db2.gz BGNCDRGXBXSONK-UHFFFAOYSA-N 0 0 425.466 3.749 50 0 IHAARN CS(=O)(=O)N1CC[C@H](CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1 ZINC000253425811 569267223 /nfs/dbraw/zinc/26/72/23/569267223.db2.gz IUOGGRFMUMHAPA-KRWDZBQOSA-N 0 0 446.573 3.506 50 0 IHAARN Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)c2)cn1 ZINC000253427877 569267542 /nfs/dbraw/zinc/26/75/42/569267542.db2.gz FJFDBOIWELQSLZ-UHFFFAOYSA-N 0 0 441.434 3.964 50 0 IHAARN COc1ccccc1CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000002302260 569271534 /nfs/dbraw/zinc/27/15/34/569271534.db2.gz FIBZMAHQHXUTKL-UHFFFAOYSA-N 0 0 427.464 3.747 50 0 IHAARN CCOc1ccc(NC(=S)NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002347804 569281076 /nfs/dbraw/zinc/28/10/76/569281076.db2.gz YGHQUGAZSIBXDR-MRXNPFEDSA-N 0 0 429.523 3.557 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1 ZINC000253473475 569282895 /nfs/dbraw/zinc/28/28/95/569282895.db2.gz VGVSSLRZTWIOAU-UHFFFAOYSA-N 0 0 436.961 3.530 50 0 IHAARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@@]3(C)[C@@H]12)OCCO4 ZINC000253501644 569283519 /nfs/dbraw/zinc/28/35/19/569283519.db2.gz RUQBPCMPFRJFIH-BEUWLZBNSA-N 0 0 432.557 3.698 50 0 IHAARN CCc1nc2cc(CNC(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)ccc2n1C1CC1 ZINC000253630030 569284431 /nfs/dbraw/zinc/28/44/31/569284431.db2.gz ARYHYNSQWMTFTE-UHFFFAOYSA-N 0 0 446.555 3.787 50 0 IHAARN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000253630142 569284442 /nfs/dbraw/zinc/28/44/42/569284442.db2.gz NAJKGXJOFJBFQW-UHFFFAOYSA-N 0 0 426.379 3.576 50 0 IHAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 ZINC000002357676 569285937 /nfs/dbraw/zinc/28/59/37/569285937.db2.gz OTMDFLXDZDTLDW-UHFFFAOYSA-N 0 0 439.537 3.596 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)cc1 ZINC000002366294 569288465 /nfs/dbraw/zinc/28/84/65/569288465.db2.gz VEPTWPVFOPTXMF-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN COc1cc(-c2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc(OC)c1OC ZINC000253408156 569289017 /nfs/dbraw/zinc/28/90/17/569289017.db2.gz KLJAKIJKMNZTEW-UHFFFAOYSA-N 0 0 434.452 3.645 50 0 IHAARN O=C(CCCCCn1nnc2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000253413772 569289102 /nfs/dbraw/zinc/28/91/02/569289102.db2.gz VQGMSODATXEYQM-JOCHJYFZSA-N 0 0 444.539 3.982 50 0 IHAARN COC(=O)[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000008925721 569292441 /nfs/dbraw/zinc/29/24/41/569292441.db2.gz RSGRHSGNSDODOT-SFHVURJKSA-N 0 0 433.386 3.719 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000002402275 569299782 /nfs/dbraw/zinc/29/97/82/569299782.db2.gz CKNGXGZNVBBRSW-AOMKIAJQSA-N 0 0 435.476 3.843 50 0 IHAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c32)CO1 ZINC000002406715 569300247 /nfs/dbraw/zinc/30/02/47/569300247.db2.gz DXZYZWJFTNHRSN-OAQYLSRUSA-N 0 0 428.583 3.923 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002448668 569304611 /nfs/dbraw/zinc/30/46/11/569304611.db2.gz ILYVIKPJKKVIBF-NRFANRHFSA-N 0 0 435.476 3.940 50 0 IHAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012992550 569305968 /nfs/dbraw/zinc/30/59/68/569305968.db2.gz YFLCBIMDTWZJNA-UHFFFAOYSA-N 0 0 429.879 3.930 50 0 IHAARN COc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(OC)c1Br ZINC000012999428 569306162 /nfs/dbraw/zinc/30/61/62/569306162.db2.gz JEZPPAGXHLOASD-UHFFFAOYSA-N 0 0 433.302 3.745 50 0 IHAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc(OC)c1 ZINC000013010373 569306874 /nfs/dbraw/zinc/30/68/74/569306874.db2.gz YYTWUVIGSNPIMK-UHFFFAOYSA-N 0 0 443.550 3.733 50 0 IHAARN CCc1noc(C)c1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000013016298 569307169 /nfs/dbraw/zinc/30/71/69/569307169.db2.gz IBVOOJLMBMBDJW-UHFFFAOYSA-N 0 0 430.482 3.598 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000013030287 569307480 /nfs/dbraw/zinc/30/74/80/569307480.db2.gz CLTDMKGSHUGFRX-UHFFFAOYSA-N 0 0 426.261 3.545 50 0 IHAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013109618 569310277 /nfs/dbraw/zinc/31/02/77/569310277.db2.gz XKVXHSHNUYGBTO-LJQANCHMSA-N 0 0 428.535 3.725 50 0 IHAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013114887 569310786 /nfs/dbraw/zinc/31/07/86/569310786.db2.gz VXJXVXNXPFGXMN-IBGZPJMESA-N 0 0 447.608 3.970 50 0 IHAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)n2N)cc1 ZINC000013120199 569311012 /nfs/dbraw/zinc/31/10/12/569311012.db2.gz UQDMDTSQTLTJSU-UHFFFAOYSA-N 0 0 434.569 3.685 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)NC(N)=O ZINC000013146374 569311932 /nfs/dbraw/zinc/31/19/32/569311932.db2.gz KPESRGDUPFOVCV-SECBINFHSA-N 0 0 440.312 3.569 50 0 IHAARN CCc1ccc2c(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)coc2c1 ZINC000013148870 569312185 /nfs/dbraw/zinc/31/21/85/569312185.db2.gz DHXXBZZCYYDUPU-UHFFFAOYSA-N 0 0 442.537 3.506 50 0 IHAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013164962 569312522 /nfs/dbraw/zinc/31/25/22/569312522.db2.gz CKDLHFROIRVICL-FPTDNZKUSA-N 0 0 429.904 3.619 50 0 IHAARN CC(C)c1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c2cnn(C(C)C)c2n1 ZINC000013296432 569312749 /nfs/dbraw/zinc/31/27/49/569312749.db2.gz OOLIIBCLYLFOTD-UHFFFAOYSA-N 0 0 441.557 3.928 50 0 IHAARN CCOCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013355285 569313554 /nfs/dbraw/zinc/31/35/54/569313554.db2.gz OVDMWPOZUIBIOE-UHFFFAOYSA-N 0 0 430.570 3.685 50 0 IHAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4OC)c3)cc2=O)s1 ZINC000013368101 569314486 /nfs/dbraw/zinc/31/44/86/569314486.db2.gz OBMLEDKHNNGUCO-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)cc(=O)n2o1 ZINC000013368495 569314580 /nfs/dbraw/zinc/31/45/80/569314580.db2.gz JOZLAENZBLRVSQ-UHFFFAOYSA-N 0 0 439.855 3.846 50 0 IHAARN CC(C)C[C@H](C(=O)N[C@@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000078714515 569318477 /nfs/dbraw/zinc/31/84/77/569318477.db2.gz BQNWWMSIFUQHFF-IMBTUZDBSA-N 0 0 439.581 3.709 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)OCc3csc(-c4ccsc4)n3)c(C)n2n1 ZINC000019358027 569319049 /nfs/dbraw/zinc/31/90/49/569319049.db2.gz VNKTUWDLOQIVAA-UHFFFAOYSA-N 0 0 431.568 3.934 50 0 IHAARN NC(=O)c1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)cc1 ZINC000078967403 569320653 /nfs/dbraw/zinc/32/06/53/569320653.db2.gz CENGWNJMZTZCRQ-UHFFFAOYSA-N 0 0 437.359 3.686 50 0 IHAARN O=C(CCCNC(=O)OCc1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000078975695 569321120 /nfs/dbraw/zinc/32/11/20/569321120.db2.gz JCBBBJPSOBWUPY-UPVQGACJSA-N 0 0 432.524 3.935 50 0 IHAARN CC(C)Cn1nc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc2c1=O ZINC000079024732 569322844 /nfs/dbraw/zinc/32/28/44/569322844.db2.gz VMNUXUYBSVHBLP-OAQYLSRUSA-N 0 0 433.552 3.916 50 0 IHAARN Cc1c(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000079055040 569323686 /nfs/dbraw/zinc/32/36/86/569323686.db2.gz TZKZMCHVSIZTPI-RBUKOAKNSA-N 0 0 442.560 3.897 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000079056726 569323775 /nfs/dbraw/zinc/32/37/75/569323775.db2.gz URNIHNSOAVPIAN-QGZVFWFLSA-N 0 0 435.565 3.669 50 0 IHAARN C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc2S1 ZINC000079074722 569324759 /nfs/dbraw/zinc/32/47/59/569324759.db2.gz YHWHVEVKZSTRDA-ZDUSSCGKSA-N 0 0 434.359 3.505 50 0 IHAARN COc1ccc(C2(CNC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CCOCC2)cc1 ZINC000079190931 569327946 /nfs/dbraw/zinc/32/79/46/569327946.db2.gz YTKHGYZEFIRJMX-QHCPKHFHSA-N 0 0 436.552 3.540 50 0 biogenic IHAARN COC(=O)c1ccc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)cc1 ZINC000079189710 569327971 /nfs/dbraw/zinc/32/79/71/569327971.db2.gz UHFZHLOXLYOFEV-DENIHFKCSA-N 0 0 446.411 3.906 50 0 biogenic IHAARN CCOC(=O)c1csc(NC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)n1 ZINC000079476215 569330772 /nfs/dbraw/zinc/33/07/72/569330772.db2.gz AVJQOOQEAGXTEN-UHFFFAOYSA-N 0 0 449.488 3.885 50 0 IHAARN COc1ccc(CNC(=O)CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000079482805 569330986 /nfs/dbraw/zinc/33/09/86/569330986.db2.gz FYUSCHZCJIIYFY-UHFFFAOYSA-N 0 0 434.540 3.764 50 0 IHAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000079488260 569331150 /nfs/dbraw/zinc/33/11/50/569331150.db2.gz WJSMNUTZWAQACY-INIZCTEOSA-N 0 0 433.339 3.907 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)C[C@@H](C)O1 ZINC000020069362 569333188 /nfs/dbraw/zinc/33/31/88/569333188.db2.gz LFLQULBWNBFXMO-QZTJIDSGSA-N 0 0 436.581 3.694 50 0 IHAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)NCc1ccc2c(c1)OCO2 ZINC000020069405 569333191 /nfs/dbraw/zinc/33/31/91/569333191.db2.gz QRRCLHCLPUSNNM-UHFFFAOYSA-N 0 0 436.537 3.757 50 0 IHAARN O=C(c1cccc(Br)c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390826059 569353661 /nfs/dbraw/zinc/35/36/61/569353661.db2.gz ANQYVGXDAPDQHG-QGZVFWFLSA-N 0 0 426.307 3.590 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831410 569354257 /nfs/dbraw/zinc/35/42/57/569354257.db2.gz RRVHTHPXWSRUBJ-GOSISDBHSA-N 0 0 432.592 3.777 50 0 IHAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccc(OC)cc3)C2=O)cc1 ZINC000020180603 569355167 /nfs/dbraw/zinc/35/51/67/569355167.db2.gz NJJATNCFEPEWDY-IWIPYMOSSA-N 0 0 444.487 3.787 50 0 IHAARN CCOCCCNC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21 ZINC000020180888 569355209 /nfs/dbraw/zinc/35/52/09/569355209.db2.gz MWVQDKZXRXWCSC-MOSHPQCFSA-N 0 0 432.879 3.788 50 0 IHAARN COCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccc(OC)cc1 ZINC000020182401 569355423 /nfs/dbraw/zinc/35/54/23/569355423.db2.gz NWJYBRVTOMAZSV-UHFFFAOYSA-N 0 0 427.526 3.616 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241448 569357935 /nfs/dbraw/zinc/35/79/35/569357935.db2.gz ADEHMAIUABPCSA-PMERELPUSA-N 0 0 446.956 3.920 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCc4ccccc43)c(C)o2)cc1OC ZINC000020241666 569358007 /nfs/dbraw/zinc/35/80/07/569358007.db2.gz IBGMDNDQJYQBDE-HKBQPEDESA-N 0 0 440.521 3.505 50 0 IHAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000095100961 569358192 /nfs/dbraw/zinc/35/81/92/569358192.db2.gz SPKITCROTAQRDY-DEOSSOPVSA-N 0 0 433.552 3.812 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1 ZINC000020323860 569360325 /nfs/dbraw/zinc/36/03/25/569360325.db2.gz GDXIYQGBRAFWSJ-FQEVSTJZSA-N 0 0 425.485 3.668 50 0 IHAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCN1CCOCC1 ZINC000020355668 569361345 /nfs/dbraw/zinc/36/13/45/569361345.db2.gz JVEORGLEBSCHGK-UHFFFAOYSA-N 0 0 440.975 3.975 50 0 IHAARN COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCCC2)cc1 ZINC000020381768 569362660 /nfs/dbraw/zinc/36/26/60/569362660.db2.gz XNYGWJJKQGLKCD-UHFFFAOYSA-N 0 0 428.510 3.694 50 0 IHAARN CCOc1ccccc1CNC(=O)CCCn1ncn2c3cc(CC)sc3cc2c1=O ZINC000020384452 569362858 /nfs/dbraw/zinc/36/28/58/569362858.db2.gz VUXROZRCPZNNDN-UHFFFAOYSA-N 0 0 438.553 3.768 50 0 IHAARN CCOc1ccc(CNC(=O)Cn2nc(CC)n3c4cc(CC)sc4cc3c2=O)cc1 ZINC000020384433 569362900 /nfs/dbraw/zinc/36/29/00/569362900.db2.gz AJULXSAWULFDNM-UHFFFAOYSA-N 0 0 438.553 3.551 50 0 IHAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000020416085 569364623 /nfs/dbraw/zinc/36/46/23/569364623.db2.gz ZXZWETHMYJLGQD-HXUWFJFHSA-N 0 0 431.540 3.528 50 0 IHAARN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000095432474 569366454 /nfs/dbraw/zinc/36/64/54/569366454.db2.gz RNMXDBLEJUHJQU-AVRDEDQJSA-N 0 0 440.588 3.578 50 0 IHAARN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCc2cc(F)ccc2Br)c1 ZINC000095456836 569368968 /nfs/dbraw/zinc/36/89/68/569368968.db2.gz ZESJHRYCLULMLR-UHFFFAOYSA-N 0 0 448.248 3.773 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3nnc4ccccn43)c(Cl)cc12 ZINC000095479222 569373674 /nfs/dbraw/zinc/37/36/74/569373674.db2.gz FABCDNXQSZWGJE-CYBMUJFWSA-N 0 0 440.887 3.698 50 0 IHAARN COc1cccc2[nH]cc([C@@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c21 ZINC000095479861 569373792 /nfs/dbraw/zinc/37/37/92/569373792.db2.gz POHHEPQUUUQVCE-IRXDYDNUSA-N 0 0 446.956 3.655 50 0 IHAARN COc1ccc(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000095480727 569373920 /nfs/dbraw/zinc/37/39/20/569373920.db2.gz BEXWLJHQHHUACB-RPWUZVMVSA-N 0 0 428.488 3.605 50 0 IHAARN C[C@@H](c1ccccn1)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC000095943196 569375660 /nfs/dbraw/zinc/37/56/60/569375660.db2.gz JJQHLOXLMLPBKZ-FQEVSTJZSA-N 0 0 449.576 3.575 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C ZINC000095950230 569376683 /nfs/dbraw/zinc/37/66/83/569376683.db2.gz NBVBVORTHXZFIT-UHFFFAOYSA-N 0 0 428.963 3.542 50 0 IHAARN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000095957496 569376975 /nfs/dbraw/zinc/37/69/75/569376975.db2.gz XVYDOGJGHFSOTN-FUHWJXTLSA-N 0 0 430.570 3.968 50 0 IHAARN CS(=O)(=O)c1ccc(OCCCC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC000096005875 569379377 /nfs/dbraw/zinc/37/93/77/569379377.db2.gz VVUYXWNEWOALGV-HXUWFJFHSA-N 0 0 441.471 3.769 50 0 IHAARN Cc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cnc1Br ZINC000096009007 569379588 /nfs/dbraw/zinc/37/95/88/569379588.db2.gz BVQPAZUHARSMOY-UHFFFAOYSA-N 0 0 438.347 3.579 50 0 IHAARN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000096012087 569380094 /nfs/dbraw/zinc/38/00/94/569380094.db2.gz POMZLHVHOGOSDQ-LJQANCHMSA-N 0 0 446.555 3.626 50 0 IHAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2)c1ccsc1 ZINC000096024349 569380452 /nfs/dbraw/zinc/38/04/52/569380452.db2.gz SVMBBJDLXMUZSG-UHFFFAOYSA-N 0 0 428.495 3.776 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Br)CC2)s1 ZINC000096097014 569381369 /nfs/dbraw/zinc/38/13/69/569381369.db2.gz HANXDPNCBWPAKL-UHFFFAOYSA-N 0 0 431.377 3.700 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096950 569381286 /nfs/dbraw/zinc/38/12/86/569381286.db2.gz DGGUZEXBETVTSU-GQCTYLIASA-N 0 0 431.286 3.656 50 0 IHAARN O=C(c1cc2ccccc2oc1=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096965 569381302 /nfs/dbraw/zinc/38/13/02/569381302.db2.gz YMCAAIKCTAHGAC-UHFFFAOYSA-N 0 0 429.270 3.634 50 0 IHAARN CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000096103454 569381971 /nfs/dbraw/zinc/38/19/71/569381971.db2.gz YCDPHBJFJDCZNS-LJQANCHMSA-N 0 0 442.002 3.983 50 0 IHAARN CCCCn1cnc2cc(NC(=O)CN3C=Cc4cc(OC)c(OC)cc4CC3=O)ccc21 ZINC000096114514 569382885 /nfs/dbraw/zinc/38/28/85/569382885.db2.gz UHJMDYAPMMUYMM-UHFFFAOYSA-N 0 0 448.523 3.848 50 0 biogenic IHAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2c1ccn2Cc1ccccc1 ZINC000096115109 569383199 /nfs/dbraw/zinc/38/31/99/569383199.db2.gz WEBHMBGICHOJPQ-QFIPXVFZSA-N 0 0 438.487 3.769 50 0 biogenic IHAARN O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000096121672 569385180 /nfs/dbraw/zinc/38/51/80/569385180.db2.gz MVTLQLSBLZIQLO-SFHVURJKSA-N 0 0 449.942 3.645 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)c(OC)c1OC ZINC000096122462 569385298 /nfs/dbraw/zinc/38/52/98/569385298.db2.gz SECUSYZWEWSXIV-FQEVSTJZSA-N 0 0 428.529 3.899 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000096211197 569386598 /nfs/dbraw/zinc/38/65/98/569386598.db2.gz FMYNLTFHFRXXEQ-DHIUTWEWSA-N 0 0 432.586 3.626 50 0 IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000096211470 569386726 /nfs/dbraw/zinc/38/67/26/569386726.db2.gz MDUONXNAVHMLPA-FQEVSTJZSA-N 0 0 440.544 3.851 50 0 IHAARN CCN1C(=S)N[C@H](c2cc(OC)cc(OC)c2)C(C(=O)Nc2ccccc2OC)=C1C ZINC000096278542 569389113 /nfs/dbraw/zinc/38/91/13/569389113.db2.gz DJCMLNRPUQWEQX-OAQYLSRUSA-N 0 0 441.553 3.876 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000096280087 569389554 /nfs/dbraw/zinc/38/95/54/569389554.db2.gz FCOVLMGBYRECNI-JOCHJYFZSA-N 0 0 440.496 3.605 50 0 IHAARN COc1cc(-c2noc([C@@H](NC(=O)Cc3ccc(F)cc3)C(C)C)n2)cc(OC)c1OC ZINC000096294047 569391809 /nfs/dbraw/zinc/39/18/09/569391809.db2.gz JIPMLKOLJPVKSL-FQEVSTJZSA-N 0 0 443.475 3.958 50 0 IHAARN CCc1nc(CC(C)C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1ccc(C)cc1 ZINC000096317613 569393453 /nfs/dbraw/zinc/39/34/53/569393453.db2.gz HYMCJVLSYSSZQJ-UHFFFAOYSA-N 0 0 444.645 3.608 50 0 IHAARN CC[C@@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096317478 569393518 /nfs/dbraw/zinc/39/35/18/569393518.db2.gz BTNQHIFKIHRQIW-GOSISDBHSA-N 0 0 430.618 3.669 50 0 IHAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)N5CCCC5)n4ccn3n2)cc1 ZINC000096322387 569394639 /nfs/dbraw/zinc/39/46/39/569394639.db2.gz HZQASIVVSFNAJQ-UHFFFAOYSA-N 0 0 432.528 3.778 50 0 IHAARN Cc1ccc(CN2c3ccc(C)cc3OC[C@@H]2CC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000096323037 569395006 /nfs/dbraw/zinc/39/50/06/569395006.db2.gz GCTRNIHBEZJMMG-QFIPXVFZSA-N 0 0 436.552 3.827 50 0 IHAARN CC(C)NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000096324470 569395819 /nfs/dbraw/zinc/39/58/19/569395819.db2.gz MIDHEWDZFJYGJV-UHFFFAOYSA-N 0 0 426.517 3.558 50 0 IHAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2)cc1)N1CCCCC1 ZINC000096324436 569395839 /nfs/dbraw/zinc/39/58/39/569395839.db2.gz LVJDAJHLHLGTNL-UHFFFAOYSA-N 0 0 434.565 3.907 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 ZINC000096335786 569396604 /nfs/dbraw/zinc/39/66/04/569396604.db2.gz BJGGZUGHBCPIOT-RBBKRZOGSA-N 0 0 440.423 3.741 50 0 IHAARN COc1ccc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000096336018 569396809 /nfs/dbraw/zinc/39/68/09/569396809.db2.gz ZALLGLVRKPITCR-UYAOXDASSA-N 0 0 427.840 3.847 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096357682 569397354 /nfs/dbraw/zinc/39/73/54/569397354.db2.gz FNQUPHUWDMTCJI-UHFFFAOYSA-N 0 0 441.447 3.659 50 0 IHAARN O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096357876 569397383 /nfs/dbraw/zinc/39/73/83/569397383.db2.gz JMZCYMNNEQSCPH-UHFFFAOYSA-N 0 0 432.436 3.785 50 0 IHAARN CC[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096350325 569397444 /nfs/dbraw/zinc/39/74/44/569397444.db2.gz OAAFBKPJSKGHOT-OAQYLSRUSA-N 0 0 427.508 3.680 50 0 IHAARN CC(C)N1CCn2c3ccc(C(=O)NCc4ccc(Br)cc4)cc3nc2C1=O ZINC000096372428 569397871 /nfs/dbraw/zinc/39/78/71/569397871.db2.gz BDZNSNKMPCJFMR-UHFFFAOYSA-N 0 0 441.329 3.593 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386393 569398575 /nfs/dbraw/zinc/39/85/75/569398575.db2.gz HVWUHKQYFVTQIZ-UHFFFAOYSA-N 0 0 432.471 3.817 50 0 IHAARN CO[C@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000096393184 569398944 /nfs/dbraw/zinc/39/89/44/569398944.db2.gz BURNTKIYSKNAJZ-GOSISDBHSA-N 0 0 430.810 3.855 50 0 IHAARN CC(C)[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C(C)C ZINC000334162188 569402179 /nfs/dbraw/zinc/40/21/79/569402179.db2.gz PDYVHKHRQFUFBX-SIKLNZKXSA-N 0 0 447.539 3.571 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O ZINC000096989932 569402651 /nfs/dbraw/zinc/40/26/51/569402651.db2.gz BGXKNVFUXXEMAY-QFIPXVFZSA-N 0 0 444.459 3.803 50 0 IHAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O ZINC000096989933 569402691 /nfs/dbraw/zinc/40/26/91/569402691.db2.gz BGXKNVFUXXEMAY-JOCHJYFZSA-N 0 0 444.459 3.803 50 0 IHAARN COc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)c4c[nH]c5ccccc54)CC3)n2)cc1 ZINC000096941302 569402693 /nfs/dbraw/zinc/40/26/93/569402693.db2.gz SAQWTBBLPSJKQR-QGZVFWFLSA-N 0 0 445.523 3.616 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 ZINC000002459477 569403506 /nfs/dbraw/zinc/40/35/06/569403506.db2.gz BGAPBUZLYPCUPX-OAHLLOKOSA-N 0 0 433.574 3.903 50 0 IHAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCc3cccs3)c3ccccc3C(=O)N1CC2 ZINC000002468456 569403922 /nfs/dbraw/zinc/40/39/22/569403922.db2.gz RVYOXOGKXOQMRN-DHIUTWEWSA-N 0 0 448.544 3.919 50 0 IHAARN O=C(c1c(F)cccc1Cl)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543819 569404057 /nfs/dbraw/zinc/40/40/57/569404057.db2.gz FBJZCAGMNCEVHN-UHFFFAOYSA-N 0 0 432.858 3.587 50 0 IHAARN COc1ccccc1N(C[C@H](O)COc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000002483274 569404980 /nfs/dbraw/zinc/40/49/80/569404980.db2.gz NNJHIWSTINEANA-SFHVURJKSA-N 0 0 447.940 3.984 50 0 IHAARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002501333 569405936 /nfs/dbraw/zinc/40/59/36/569405936.db2.gz IIOIMNAYEYRBAO-QGZVFWFLSA-N 0 0 444.372 3.903 50 0 IHAARN COc1cccc2cc(C(=O)NC3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)oc21 ZINC000225724942 569407560 /nfs/dbraw/zinc/40/75/60/569407560.db2.gz YNYMTJGNLMFCDF-UHFFFAOYSA-N 0 0 434.418 3.957 50 0 IHAARN Cc1nc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc(C(F)(F)F)n1 ZINC000225726521 569407577 /nfs/dbraw/zinc/40/75/77/569407577.db2.gz BUYCLZHLMWLUGL-UHFFFAOYSA-N 0 0 443.267 3.965 50 0 IHAARN COc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1Cl ZINC000225726887 569407579 /nfs/dbraw/zinc/40/75/79/569407579.db2.gz LLLWTDHXKLRUPA-UHFFFAOYSA-N 0 0 442.869 3.794 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(C(F)(F)F)n1 ZINC000225733392 569407652 /nfs/dbraw/zinc/40/76/52/569407652.db2.gz OWFWIERXFGEMAC-UHFFFAOYSA-N 0 0 429.240 3.529 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1n[nH]c(COc2ccc(C)cc2)n1 ZINC000002620170 569410830 /nfs/dbraw/zinc/41/08/30/569410830.db2.gz MOZYYRDQIDQUBZ-UHFFFAOYSA-N 0 0 428.514 3.789 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)NCCc1ccc(F)cc1 ZINC000002624370 569411517 /nfs/dbraw/zinc/41/15/17/569411517.db2.gz JXHWGJQGARCHLW-UHFFFAOYSA-N 0 0 435.322 3.824 50 0 IHAARN COCCn1c2ccccc2nc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000002625297 569411620 /nfs/dbraw/zinc/41/16/20/569411620.db2.gz DZEXAKSAPKHZEW-UHFFFAOYSA-N 0 0 445.342 3.745 50 0 IHAARN CCOc1ccc2[nH]c(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)nc2c1 ZINC000002629173 569412011 /nfs/dbraw/zinc/41/20/11/569412011.db2.gz YOTHLRPQLJRIBF-UHFFFAOYSA-N 0 0 432.933 3.804 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 ZINC000215685218 569412121 /nfs/dbraw/zinc/41/21/21/569412121.db2.gz SJYOMKDOCATNDX-GPCCPHFNSA-N 0 0 433.382 3.753 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NCc2ccc(F)cc2)cc1 ZINC000002636195 569412981 /nfs/dbraw/zinc/41/29/81/569412981.db2.gz XSTCFNWQZIASSX-UHFFFAOYSA-N 0 0 436.549 3.578 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@H](O)c1ccccc1 ZINC000002638017 569413303 /nfs/dbraw/zinc/41/33/03/569413303.db2.gz GRLKGTKNNKHIHU-HXUWFJFHSA-N 0 0 439.489 3.807 50 0 IHAARN C[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002641365 569413788 /nfs/dbraw/zinc/41/37/88/569413788.db2.gz JPBKBZZCVYUFSR-IBGZPJMESA-N 0 0 427.504 3.529 50 0 IHAARN CC[C@@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)o1)N(C)C ZINC000002659159 569415816 /nfs/dbraw/zinc/41/58/16/569415816.db2.gz XLXUVCZSFQGIDQ-HNNXBMFYSA-N 0 0 433.559 3.945 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O ZINC000002726225 569418614 /nfs/dbraw/zinc/41/86/14/569418614.db2.gz BBUNVMZBAJAAEQ-NRFANRHFSA-N 0 0 444.329 3.943 50 0 IHAARN O=C(CCn1cc(Br)cn1)Nc1c(F)c(F)c(Br)c(F)c1F ZINC000002780240 569421074 /nfs/dbraw/zinc/42/10/74/569421074.db2.gz QLBFCGMHNKTQOD-UHFFFAOYSA-N 0 0 445.008 3.993 50 0 IHAARN CCOC(=O)c1sc2ncn3nc([C@H](C)Cn4cc(Br)cn4)nc3c2c1C ZINC000002790268 569421580 /nfs/dbraw/zinc/42/15/80/569421580.db2.gz MAUSKTHTXLQUAY-SECBINFHSA-N 0 0 449.334 3.587 50 0 IHAARN Cc1nc(CN2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cs1 ZINC000028959870 569423748 /nfs/dbraw/zinc/42/37/48/569423748.db2.gz ZRVULVUDAXDLMZ-UHFFFAOYSA-N 0 0 426.567 3.723 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2cc(C)on2)cc1 ZINC000002909025 569424710 /nfs/dbraw/zinc/42/47/10/569424710.db2.gz XYLMFDZAETUWFB-UHFFFAOYSA-N 0 0 442.522 3.542 50 0 IHAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000002927142 569425737 /nfs/dbraw/zinc/42/57/37/569425737.db2.gz XYBPACWAEMDPEH-UHFFFAOYSA-N 0 0 448.552 3.838 50 0 IHAARN COc1cc(OC)cc(C(=O)N(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)c1 ZINC000029075932 569426016 /nfs/dbraw/zinc/42/60/16/569426016.db2.gz SQGUFIVRENXCOK-UHFFFAOYSA-N 0 0 436.430 3.801 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1cn2ccccc2n1 ZINC000029113199 569427209 /nfs/dbraw/zinc/42/72/09/569427209.db2.gz NGPHEAZJMURCGV-UHFFFAOYSA-N 0 0 440.532 3.991 50 0 IHAARN O=C(C1CCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1)N1CCCCCC1 ZINC000057331778 569431081 /nfs/dbraw/zinc/43/10/81/569431081.db2.gz GYFZTGJCKGCHAW-UHFFFAOYSA-N 0 0 440.569 3.859 50 0 IHAARN Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC000029499764 569431160 /nfs/dbraw/zinc/43/11/60/569431160.db2.gz HDJHBYOERBZLJV-UHFFFAOYSA-N 0 0 449.642 3.509 50 0 IHAARN O=C(CSc1nnnn1Cc1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000029744037 569431903 /nfs/dbraw/zinc/43/19/03/569431903.db2.gz ILSHESOGVCYWSL-UHFFFAOYSA-N 0 0 432.531 3.776 50 0 IHAARN COc1ccc2cc(-c3csc(NC(=O)CCC(=O)NC4CCCC4)n3)c(=O)oc2c1 ZINC000002956384 569432325 /nfs/dbraw/zinc/43/23/25/569432325.db2.gz DJMBFLKLLKIQMK-UHFFFAOYSA-N 0 0 441.509 3.703 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O ZINC000057426749 569434683 /nfs/dbraw/zinc/43/46/83/569434683.db2.gz RLQXRLRVGFGFDN-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1C ZINC000057426986 569434740 /nfs/dbraw/zinc/43/47/40/569434740.db2.gz ZDOCLAMVBXXSCI-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)c(C)c1 ZINC000003009670 569435275 /nfs/dbraw/zinc/43/52/75/569435275.db2.gz KCDKIVJFLOBLRG-UHFFFAOYSA-N 0 0 439.537 3.957 50 0 IHAARN Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3F)CC2)cc1C ZINC000057486161 569436401 /nfs/dbraw/zinc/43/64/01/569436401.db2.gz JENVVANIUFSBLN-UHFFFAOYSA-N 0 0 448.336 3.602 50 0 IHAARN COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000057487209 569436619 /nfs/dbraw/zinc/43/66/19/569436619.db2.gz DUJMONRRIWQRIY-UHFFFAOYSA-N 0 0 448.479 3.547 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000057490065 569437069 /nfs/dbraw/zinc/43/70/69/569437069.db2.gz VWIWOASXZVZDKL-UHFFFAOYSA-N 0 0 435.505 3.560 50 0 IHAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)c1 ZINC000057490118 569437143 /nfs/dbraw/zinc/43/71/43/569437143.db2.gz XTBLJRWGFJBWQG-UHFFFAOYSA-N 0 0 437.546 3.883 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000057491061 569437281 /nfs/dbraw/zinc/43/72/81/569437281.db2.gz QUPLXIDVOGYDTI-KRWDZBQOSA-N 0 0 425.554 3.622 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000057491251 569437301 /nfs/dbraw/zinc/43/73/01/569437301.db2.gz YDUOZQHDPBUCTO-UHFFFAOYSA-N 0 0 433.533 3.802 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1ccc(F)c(F)c1 ZINC000057491626 569437365 /nfs/dbraw/zinc/43/73/65/569437365.db2.gz ZHWHTDJMARUIQJ-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000057492176 569437413 /nfs/dbraw/zinc/43/74/13/569437413.db2.gz HLPJMLDZJSCEDR-UHFFFAOYSA-N 0 0 447.560 3.879 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 ZINC000057492429 569437444 /nfs/dbraw/zinc/43/74/44/569437444.db2.gz PZMVVMSCSMWCQK-UHFFFAOYSA-N 0 0 445.544 3.810 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1 ZINC000057492493 569437455 /nfs/dbraw/zinc/43/74/55/569437455.db2.gz NPYJWYQUQMYLME-UHFFFAOYSA-N 0 0 437.565 3.837 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1 ZINC000057492615 569437467 /nfs/dbraw/zinc/43/74/67/569437467.db2.gz HXDNBTVHCKIUET-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1OC ZINC000003037762 569437965 /nfs/dbraw/zinc/43/79/65/569437965.db2.gz QOJBFEYFCNIEOM-QHCPKHFHSA-N 0 0 426.513 3.932 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cccc(F)c2)c1N ZINC000057511830 569438658 /nfs/dbraw/zinc/43/86/58/569438658.db2.gz OUKGETPOWPRRLV-UHFFFAOYSA-N 0 0 426.839 3.917 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)C[C@H]2C)c1 ZINC000230121676 569438695 /nfs/dbraw/zinc/43/86/95/569438695.db2.gz WYWUKOCGGZBFKQ-OAHLLOKOSA-N 0 0 444.582 3.883 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(CC)nc2-c2cccc(Cl)c2)cc1 ZINC000057527469 569439159 /nfs/dbraw/zinc/43/91/59/569439159.db2.gz ATXNFMJLUNEPFH-UHFFFAOYSA-N 0 0 439.899 3.942 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000230137907 569439220 /nfs/dbraw/zinc/43/92/20/569439220.db2.gz UBEVIYVTEMTAGA-VWNXMTODSA-N 0 0 425.548 3.864 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000003055014 569439336 /nfs/dbraw/zinc/43/93/36/569439336.db2.gz VJHQTZAKEUEXKD-OQSMONGASA-N 0 0 427.010 3.929 50 0 IHAARN O=C(CN1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1)Nc1ccccc1Cl ZINC000030017364 569440298 /nfs/dbraw/zinc/44/02/98/569440298.db2.gz CCFIFZVZNBIXPH-UHFFFAOYSA-N 0 0 442.878 3.531 50 0 IHAARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(O)c2)ccc1OC(C)=O ZINC000003180150 569441314 /nfs/dbraw/zinc/44/13/14/569441314.db2.gz WATOSJJOGVDABA-BKUYFWCQSA-N 0 0 446.459 3.736 50 0 biogenic IHAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003187175 569441367 /nfs/dbraw/zinc/44/13/67/569441367.db2.gz RJMZSZUYNFHKQQ-UHFFFAOYSA-N 0 0 442.566 3.607 50 0 IHAARN CS(=O)(=O)c1ccc2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N21 ZINC000003189544 569441467 /nfs/dbraw/zinc/44/14/67/569441467.db2.gz YGSGLUXHZHYNRX-INIZCTEOSA-N 0 0 427.429 3.701 50 0 IHAARN CCOC(=O)c1ccc(-c2csc(NC(=O)CSc3nnc4ccccn43)n2)cc1 ZINC000003215603 569441772 /nfs/dbraw/zinc/44/17/72/569441772.db2.gz OXJWOAIKXWDRDO-UHFFFAOYSA-N 0 0 439.522 3.760 50 0 IHAARN O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(F)c(Cl)c1 ZINC000003232584 569442375 /nfs/dbraw/zinc/44/23/75/569442375.db2.gz SZLKYUPURKARPM-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000003236095 569442474 /nfs/dbraw/zinc/44/24/74/569442474.db2.gz QPFPJBINJIXULH-UHFFFAOYSA-N 0 0 436.555 3.660 50 0 IHAARN O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000030494023 569442906 /nfs/dbraw/zinc/44/29/06/569442906.db2.gz LAHRDGBMLMLNTL-UHFFFAOYSA-N 0 0 439.464 3.951 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000003263399 569443294 /nfs/dbraw/zinc/44/32/94/569443294.db2.gz PIJZMVYFEPGNLN-UHFFFAOYSA-N 0 0 425.448 3.970 50 0 IHAARN CN(CC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1)S(=O)(=O)c1cccs1 ZINC000057984789 569443915 /nfs/dbraw/zinc/44/39/15/569443915.db2.gz JTWSCXYGWWYRBR-UHFFFAOYSA-N 0 0 445.950 3.923 50 0 IHAARN COc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003285697 569444072 /nfs/dbraw/zinc/44/40/72/569444072.db2.gz PITSAAXLTFLSKB-UHFFFAOYSA-N 0 0 432.782 3.713 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 ZINC000003294045 569444545 /nfs/dbraw/zinc/44/45/45/569444545.db2.gz MVQUKBUHLYZNTQ-UHFFFAOYSA-N 0 0 441.336 3.757 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2ccccc2F)c2ccccc2c1=O ZINC000003304276 569445162 /nfs/dbraw/zinc/44/51/62/569445162.db2.gz CBERKPKNYMJGDO-UHFFFAOYSA-N 0 0 425.460 3.911 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000058021445 569445385 /nfs/dbraw/zinc/44/53/85/569445385.db2.gz YZGNBTGCNHFFTA-UHFFFAOYSA-N 0 0 447.004 3.625 50 0 IHAARN Cn1cc(-c2nc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cs2)cn1 ZINC000058045805 569445941 /nfs/dbraw/zinc/44/59/41/569445941.db2.gz ZZVDSXYFNPKLBU-UHFFFAOYSA-N 0 0 425.495 3.691 50 0 IHAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003320567 569445979 /nfs/dbraw/zinc/44/59/79/569445979.db2.gz UGJCJUXQZXIKTB-UHFFFAOYSA-N 0 0 433.580 3.812 50 0 IHAARN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000003320536 569445992 /nfs/dbraw/zinc/44/59/92/569445992.db2.gz SENITDCTUBCYQV-GFCCVEGCSA-N 0 0 441.402 3.844 50 0 IHAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000058060878 569446432 /nfs/dbraw/zinc/44/64/32/569446432.db2.gz MKPPFSJIOHFWLI-UHFFFAOYSA-N 0 0 437.540 3.999 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(F)c(F)c1F ZINC000003333039 569446555 /nfs/dbraw/zinc/44/65/55/569446555.db2.gz PNAWHJBHUVLDOP-UHFFFAOYSA-N 0 0 443.454 3.884 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1F ZINC000003341449 569446935 /nfs/dbraw/zinc/44/69/35/569446935.db2.gz QDJDPDSEIQGCHL-JOCHJYFZSA-N 0 0 434.467 3.657 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000003345559 569447078 /nfs/dbraw/zinc/44/70/78/569447078.db2.gz VIGQGPODUDGUAX-SFHVURJKSA-N 0 0 440.594 3.863 50 0 IHAARN Cc1csc(SCc2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2)n1 ZINC000003358572 569447749 /nfs/dbraw/zinc/44/77/49/569447749.db2.gz OQJKRTULJDSEDC-UHFFFAOYSA-N 0 0 430.555 3.643 50 0 IHAARN CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CCCC2 ZINC000003358500 569447761 /nfs/dbraw/zinc/44/77/61/569447761.db2.gz XHSTWBOHTUOYOM-LBPRGKRZSA-N 0 0 444.509 3.541 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(=O)c1ccc(Br)s1 ZINC000003360949 569447914 /nfs/dbraw/zinc/44/79/14/569447914.db2.gz KTFCDOHEIOTPQT-SFHVURJKSA-N 0 0 438.343 3.620 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000003363217 569448008 /nfs/dbraw/zinc/44/80/08/569448008.db2.gz RUKGCGZNZFOKML-UHFFFAOYSA-N 0 0 427.457 3.837 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccc(C)c2)cc1 ZINC000003368177 569448210 /nfs/dbraw/zinc/44/82/10/569448210.db2.gz JMJDOOUPZDDZDS-UHFFFAOYSA-N 0 0 438.553 3.592 50 0 IHAARN C[C@H]1c2cccn2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000030797265 569448334 /nfs/dbraw/zinc/44/83/34/569448334.db2.gz HYDIQJOOZIKIQC-INIZCTEOSA-N 0 0 435.977 3.923 50 0 IHAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003370567 569448450 /nfs/dbraw/zinc/44/84/50/569448450.db2.gz YLGBVUZEBBOQTE-UHFFFAOYSA-N 0 0 431.901 3.919 50 0 IHAARN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000058175688 569449774 /nfs/dbraw/zinc/44/97/74/569449774.db2.gz LZQNWLJTBHLOAE-UHFFFAOYSA-N 0 0 426.372 3.896 50 0 IHAARN COC[C@H](C)NC(=O)CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003403865 569449835 /nfs/dbraw/zinc/44/98/35/569449835.db2.gz GDYVYYOIAPRZHD-IBGZPJMESA-N 0 0 440.565 3.803 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003414160 569450134 /nfs/dbraw/zinc/45/01/34/569450134.db2.gz ZVESCNXGOROUCY-UHFFFAOYSA-N 0 0 448.285 3.726 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC[C@H]1CCCO1 ZINC000003412962 569450144 /nfs/dbraw/zinc/45/01/44/569450144.db2.gz JBEZRQFSXJSXJN-MRXNPFEDSA-N 0 0 432.933 3.627 50 0 IHAARN COc1ccc(-c2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)o2)cc1OC ZINC000003416534 569450259 /nfs/dbraw/zinc/45/02/59/569450259.db2.gz VHNBABMNHDMRHK-UHFFFAOYSA-N 0 0 442.522 3.833 50 0 IHAARN COc1cccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 ZINC000003439274 569451103 /nfs/dbraw/zinc/45/11/03/569451103.db2.gz YVPJGXNBLRKTDX-UHFFFAOYSA-N 0 0 430.511 3.792 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1C ZINC000003441782 569451292 /nfs/dbraw/zinc/45/12/92/569451292.db2.gz YODCYNUHYAELCP-UHFFFAOYSA-N 0 0 449.528 3.579 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)ccc2c1 ZINC000003450976 569451686 /nfs/dbraw/zinc/45/16/86/569451686.db2.gz QVNWHGVTYCLLKK-VWLOTQADSA-N 0 0 431.492 3.871 50 0 IHAARN Cc1sc2nc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)[nH]c(=O)c2c1C ZINC000003452597 569451700 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COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)c(OC)c1 ZINC000038652031 569465736 /nfs/dbraw/zinc/46/57/36/569465736.db2.gz ZSXRKEHDFOLEKD-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN CCOc1cccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)c1 ZINC000067261753 569466619 /nfs/dbraw/zinc/46/66/19/569466619.db2.gz XILHLIYWHSANJF-UHFFFAOYSA-N 0 0 429.480 3.667 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287477 569467292 /nfs/dbraw/zinc/46/72/92/569467292.db2.gz FQHWYIAWHMHTPG-DEOSSOPVSA-N 0 0 447.535 3.656 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291520 569467639 /nfs/dbraw/zinc/46/76/39/569467639.db2.gz PQUAYDBACTZYDN-SFHVURJKSA-N 0 0 444.576 3.763 50 0 IHAARN CCOCCCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccccc2c1=O ZINC000067290982 569467688 /nfs/dbraw/zinc/46/76/88/569467688.db2.gz QPTRDNANVFSYED-OAQYLSRUSA-N 0 0 437.565 3.719 50 0 IHAARN CCc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000067319620 569468575 /nfs/dbraw/zinc/46/85/75/569468575.db2.gz PLMPRKDKIFRLMZ-UHFFFAOYSA-N 0 0 447.564 3.538 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)Nc3cccc(C(C)=O)c3)c2c(=O)n1CC(C)C ZINC000067320029 569468588 /nfs/dbraw/zinc/46/85/88/569468588.db2.gz LCQYEVHBCSIERC-UHFFFAOYSA-N 0 0 426.542 3.726 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccccc1Br ZINC000067322373 569468685 /nfs/dbraw/zinc/46/86/85/569468685.db2.gz NXEXUBFRZXPTST-UHFFFAOYSA-N 0 0 448.708 3.893 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334589 569468822 /nfs/dbraw/zinc/46/88/22/569468822.db2.gz YEPTXGOGPDHPEQ-UHFFFAOYSA-N 0 0 438.915 3.731 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 ZINC000067335835 569468898 /nfs/dbraw/zinc/46/88/98/569468898.db2.gz PBYYOUQSVIMEBR-UHFFFAOYSA-N 0 0 441.944 3.715 50 0 IHAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)NC(N)=O ZINC000008719638 569471458 /nfs/dbraw/zinc/47/14/58/569471458.db2.gz YMJOEOAMMMVWLP-HNNXBMFYSA-N 0 0 437.569 3.966 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000008722555 569471845 /nfs/dbraw/zinc/47/18/45/569471845.db2.gz CXRHWRNDBDJNON-UHFFFAOYSA-N 0 0 429.444 3.927 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)CSc2nccn2-c2ccccc2C)cc1 ZINC000008724487 569472035 /nfs/dbraw/zinc/47/20/35/569472035.db2.gz QTYQPNRYQYJXQG-KRWDZBQOSA-N 0 0 439.537 3.530 50 0 IHAARN COc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2OC)cc1 ZINC000008751496 569473458 /nfs/dbraw/zinc/47/34/58/569473458.db2.gz OYSXXCSDYFYLEE-UHFFFAOYSA-N 0 0 440.521 3.873 50 0 IHAARN O=C([C@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCOCC1 ZINC000008752730 569473591 /nfs/dbraw/zinc/47/35/91/569473591.db2.gz PWFKTQFVOFURON-GOSISDBHSA-N 0 0 426.567 3.842 50 0 IHAARN COc1cc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000008763697 569474465 /nfs/dbraw/zinc/47/44/65/569474465.db2.gz UBQVWXUUSSNYBK-IBGZPJMESA-N 0 0 439.533 3.749 50 0 IHAARN O=C(c1cccs1)N1C(=O)c2cccc3c2c1ccc3S(=O)(=O)N1CCCCC1 ZINC000008763788 569474526 /nfs/dbraw/zinc/47/45/26/569474526.db2.gz XUPIDQWSXUVRCQ-UHFFFAOYSA-N 0 0 426.519 3.877 50 0 IHAARN COc1ccccc1[C@H]1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789113 569475895 /nfs/dbraw/zinc/47/58/95/569475895.db2.gz ZQOBPOOBQSKWPS-BCHFMIIMSA-N 0 0 431.536 3.864 50 0 biogenic IHAARN CCCCSCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008813422 569476727 /nfs/dbraw/zinc/47/67/27/569476727.db2.gz LTLJQSPXRMTNOL-UHFFFAOYSA-N 0 0 438.590 3.957 50 0 IHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008815800 569476738 /nfs/dbraw/zinc/47/67/38/569476738.db2.gz DGJBTZBKVBLNQO-UHFFFAOYSA-N 0 0 438.530 3.762 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000008845400 569478862 /nfs/dbraw/zinc/47/88/62/569478862.db2.gz XYJYNKAXPJDLSJ-NRFANRHFSA-N 0 0 443.887 3.650 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NCCC(C)C)cs2)c1 ZINC000008849964 569479281 /nfs/dbraw/zinc/47/92/81/569479281.db2.gz QAQNRGHIZZPVFG-UHFFFAOYSA-N 0 0 434.587 3.537 50 0 IHAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)NCc1ccc2c(c1)OCO2 ZINC000008861865 569480074 /nfs/dbraw/zinc/48/00/74/569480074.db2.gz LICUSWJTCMCGOC-UHFFFAOYSA-N 0 0 447.520 3.899 50 0 IHAARN Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)c(C)c1Cl ZINC000008862192 569480156 /nfs/dbraw/zinc/48/01/56/569480156.db2.gz UUYVLQGSMIFMNY-UHFFFAOYSA-N 0 0 441.871 3.709 50 0 IHAARN CCc1ccc2occ(CC(=O)N(Cc3ccc(OC)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000008869300 569480435 /nfs/dbraw/zinc/48/04/35/569480435.db2.gz ZQSISQKELILCTQ-HXUWFJFHSA-N 0 0 441.549 3.762 50 0 IHAARN CCc1ccc2occ(CC(=O)N(Cc3ccc(OC)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008869303 569480457 /nfs/dbraw/zinc/48/04/57/569480457.db2.gz ZQSISQKELILCTQ-FQEVSTJZSA-N 0 0 441.549 3.762 50 0 IHAARN C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008878455 569481307 /nfs/dbraw/zinc/48/13/07/569481307.db2.gz LJGIAIPSDLGHNX-VIFPVBQESA-N 0 0 442.854 3.845 50 0 IHAARN C[C@@H](NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000039476330 569481663 /nfs/dbraw/zinc/48/16/63/569481663.db2.gz XDRUDNJICZGYPJ-GFCCVEGCSA-N 0 0 449.290 3.681 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NC1CCCCCC1 ZINC000040024550 569482782 /nfs/dbraw/zinc/48/27/82/569482782.db2.gz GBJDOOITFBHIGJ-KRWDZBQOSA-N 0 0 428.602 3.782 50 0 IHAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCCO ZINC000040031519 569483097 /nfs/dbraw/zinc/48/30/97/569483097.db2.gz UXSQJDMFDZNEJL-KRWDZBQOSA-N 0 0 432.245 3.622 50 0 IHAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000040040690 569483527 /nfs/dbraw/zinc/48/35/27/569483527.db2.gz FQVQRIAUYLQWPH-UHFFFAOYSA-N 0 0 439.537 3.881 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1cccs1 ZINC000008899021 569484063 /nfs/dbraw/zinc/48/40/63/569484063.db2.gz FCUARDKOTGIIDZ-XMMPIXPASA-N 0 0 449.532 3.627 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccsc5)no4)CC3)cc2)n1 ZINC000040051111 569484441 /nfs/dbraw/zinc/48/44/41/569484441.db2.gz IWOXMWBKGMLMTI-UHFFFAOYSA-N 0 0 448.552 3.559 50 0 IHAARN CC1CCN(c2nc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3s2)CC1 ZINC000008912737 569485101 /nfs/dbraw/zinc/48/51/01/569485101.db2.gz KVVACFZLNMRKPL-UHFFFAOYSA-N 0 0 438.553 3.724 50 0 IHAARN CCc1c(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1cccc(Cl)c1 ZINC000040070129 569485633 /nfs/dbraw/zinc/48/56/33/569485633.db2.gz JZADILNAIVLDOT-UHFFFAOYSA-N 0 0 435.915 3.987 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008916323 569485761 /nfs/dbraw/zinc/48/57/61/569485761.db2.gz FBZAHZOYPRAJER-KRWDZBQOSA-N 0 0 445.924 3.584 50 0 IHAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCSc2ccc(Cl)cc21 ZINC000040071143 569485764 /nfs/dbraw/zinc/48/57/64/569485764.db2.gz DYWSDDUHMMJEEN-UHFFFAOYSA-N 0 0 427.913 3.728 50 0 IHAARN COc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(OC)c1Br ZINC000040072040 569485853 /nfs/dbraw/zinc/48/58/53/569485853.db2.gz DWARJVTWKHNNRF-OAHLLOKOSA-N 0 0 449.301 3.836 50 0 IHAARN COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2cccc(C)c2)ncc1Cl ZINC000008917453 569486032 /nfs/dbraw/zinc/48/60/32/569486032.db2.gz WRJHMGKRXDPYPW-UHFFFAOYSA-N 0 0 431.901 3.673 50 0 IHAARN CC(C)CNC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008917772 569486122 /nfs/dbraw/zinc/48/61/22/569486122.db2.gz DQTVIHMCDFTDJQ-VWLOTQADSA-N 0 0 430.508 3.794 50 0 biogenic IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2cccnc21 ZINC000040073681 569486137 /nfs/dbraw/zinc/48/61/37/569486137.db2.gz NVKJYXBOJUINIU-RUZDIDTESA-N 0 0 428.492 3.953 50 0 IHAARN CC(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008917940 569486160 /nfs/dbraw/zinc/48/61/60/569486160.db2.gz ANRJFYLDQNRFFC-KALPRAJFSA-N 0 0 449.510 3.952 50 0 biogenic IHAARN Cc1cc(N2CCOCC2)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000040074589 569486305 /nfs/dbraw/zinc/48/63/05/569486305.db2.gz WFJWDQIODXHSFQ-UHFFFAOYSA-N 0 0 436.537 3.722 50 0 IHAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000040080242 569486609 /nfs/dbraw/zinc/48/66/09/569486609.db2.gz LBEGRZFWONVKIF-KRWDZBQOSA-N 0 0 427.936 3.762 50 0 IHAARN COc1ccccc1CNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000008921388 569486797 /nfs/dbraw/zinc/48/67/97/569486797.db2.gz IIRVECRQMNUTGI-UHFFFAOYSA-N 0 0 431.521 3.893 50 0 IHAARN O=C(CC(=O)Nc1ccc(F)cc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008931701 569487550 /nfs/dbraw/zinc/48/75/50/569487550.db2.gz QBAMKEPJEDDYLU-UHFFFAOYSA-N 0 0 442.878 3.883 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O)Nc1ccccc1F ZINC000008931844 569487624 /nfs/dbraw/zinc/48/76/24/569487624.db2.gz LWRNGPOQZMERMX-OAQYLSRUSA-N 0 0 438.480 3.716 50 0 IHAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O ZINC000008939966 569488253 /nfs/dbraw/zinc/48/82/53/569488253.db2.gz OATQYBFIEMQWAP-OAQYLSRUSA-N 0 0 427.298 3.588 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)n[nH]1 ZINC000040107855 569488469 /nfs/dbraw/zinc/48/84/69/569488469.db2.gz YZBKICIKLJCRKT-KRWDZBQOSA-N 0 0 432.402 3.782 50 0 IHAARN Cc1cccc2c(=O)n(CC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cnc12 ZINC000008941844 569488631 /nfs/dbraw/zinc/48/86/31/569488631.db2.gz OFNMGGRULDLUHY-UHFFFAOYSA-N 0 0 449.898 3.600 50 0 IHAARN CC[C@@H](C(=O)NCCn1ncc2c1nc(SC)nc2N1CCCCC1)c1ccccc1 ZINC000008946146 569489053 /nfs/dbraw/zinc/48/90/53/569489053.db2.gz DYAPIWSKTXIBRZ-GOSISDBHSA-N 0 0 438.601 3.849 50 0 IHAARN O=C(Nc1nnc(C2CC2)s1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040119129 569489334 /nfs/dbraw/zinc/48/93/34/569489334.db2.gz WXFOHMQVGUSSEB-CQSZACIVSA-N 0 0 439.463 3.920 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(O)c(OC)cc2[C@@H]1C ZINC000016040402 569490034 /nfs/dbraw/zinc/49/00/34/569490034.db2.gz HZIQJWMOYLBHSV-AWEZNQCLSA-N 0 0 437.496 3.535 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000008955589 569490171 /nfs/dbraw/zinc/49/01/71/569490171.db2.gz NIGYAAJZRCXQPA-UHFFFAOYSA-N 0 0 442.903 3.937 50 0 IHAARN Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2C)c(C)cc1Br ZINC000040155312 569493867 /nfs/dbraw/zinc/49/38/67/569493867.db2.gz ZUFDLJKBMGWNPU-UHFFFAOYSA-N 0 0 443.388 3.753 50 0 IHAARN COc1cccc(CNC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008965351 569491466 /nfs/dbraw/zinc/49/14/66/569491466.db2.gz IGZSHFLJDQMDOJ-UHFFFAOYSA-N 0 0 444.535 3.909 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000008965800 569491570 /nfs/dbraw/zinc/49/15/70/569491570.db2.gz XQTUEIUCHCMEFQ-HNNXBMFYSA-N 0 0 436.537 3.885 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000040143061 569491863 /nfs/dbraw/zinc/49/18/63/569491863.db2.gz ZNYWSKMTKULKDI-UHFFFAOYSA-N 0 0 426.420 3.840 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](c3nccn3C)c3ccccc3)C2)c1 ZINC000040150806 569493217 /nfs/dbraw/zinc/49/32/17/569493217.db2.gz BMUAHIMZSQCWRJ-IFMALSPDSA-N 0 0 431.540 3.878 50 0 IHAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c(C)s1 ZINC000040154504 569493765 /nfs/dbraw/zinc/49/37/65/569493765.db2.gz ISYGFEFQBUTVBK-UHFFFAOYSA-N 0 0 434.521 3.824 50 0 IHAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1nc(N2CCCCC2)ncc1Cl ZINC000040154657 569493836 /nfs/dbraw/zinc/49/38/36/569493836.db2.gz CNOROQRDRSFEBI-UHFFFAOYSA-N 0 0 429.739 3.664 50 0 IHAARN COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cs2)cc1 ZINC000040156864 569494151 /nfs/dbraw/zinc/49/41/51/569494151.db2.gz MCWYLYDYUPJZEJ-QFIPXVFZSA-N 0 0 437.565 3.930 50 0 IHAARN COc1ccc2nc(C[C@@H]3[C@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 ZINC000008993296 569495423 /nfs/dbraw/zinc/49/54/23/569495423.db2.gz STZZSGYDVYDBBB-FYYLOGMGSA-N 0 0 426.538 3.548 50 0 IHAARN COc1ccc2nc(C[C@H]3[C@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 ZINC000008993297 569495443 /nfs/dbraw/zinc/49/54/43/569495443.db2.gz STZZSGYDVYDBBB-JTHBVZDNSA-N 0 0 426.538 3.548 50 0 IHAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000008996099 569495814 /nfs/dbraw/zinc/49/58/14/569495814.db2.gz CIIXYWZZXAIYLF-FQEVSTJZSA-N 0 0 435.557 3.761 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009015861 569496760 /nfs/dbraw/zinc/49/67/60/569496760.db2.gz CTLOGBVHJCVBFC-PAHOUZJPSA-N 0 0 449.510 3.952 50 0 IHAARN O=c1/c(=C/c2cccnc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000009015862 569496778 /nfs/dbraw/zinc/49/67/78/569496778.db2.gz UGHXOBDGPHXBON-WLJFKGHSSA-N 0 0 427.554 3.775 50 0 IHAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000244986032 569496813 /nfs/dbraw/zinc/49/68/13/569496813.db2.gz JCTKMQCTUIFPFI-KRWDZBQOSA-N 0 0 431.457 3.715 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)cc21 ZINC000040450316 569506248 /nfs/dbraw/zinc/50/62/48/569506248.db2.gz KXKYUQBDPZRHGN-WFASDCNBSA-N 0 0 429.380 3.605 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccc(F)c2F)c1 ZINC000040284837 569497991 /nfs/dbraw/zinc/49/79/91/569497991.db2.gz AHKFQSQVYSIKIF-HXUWFJFHSA-N 0 0 426.423 3.963 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1C ZINC000009051209 569498766 /nfs/dbraw/zinc/49/87/66/569498766.db2.gz ACFOPCYHWLCZFA-UHFFFAOYSA-N 0 0 441.582 3.805 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC3CCCCCC3)cc21 ZINC000040450272 569506276 /nfs/dbraw/zinc/50/62/76/569506276.db2.gz CWFWEFJRVZJBTH-UHFFFAOYSA-N 0 0 429.380 3.749 50 0 IHAARN COc1cc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000040312479 569498866 /nfs/dbraw/zinc/49/88/66/569498866.db2.gz KGWRWNSBWLSMFA-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 biogenic IHAARN COc1ccc(-c2noc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1OC ZINC000009095315 569501347 /nfs/dbraw/zinc/50/13/47/569501347.db2.gz AUKVIXVFYHDUPE-UHFFFAOYSA-N 0 0 431.876 3.881 50 0 IHAARN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)ccc21 ZINC000069348640 569501698 /nfs/dbraw/zinc/50/16/98/569501698.db2.gz RMGORVXEKHVDQO-UHFFFAOYSA-N 0 0 428.510 3.639 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)ccc1F ZINC000009106835 569501824 /nfs/dbraw/zinc/50/18/24/569501824.db2.gz KWKKHPBWHWQBFQ-SFHVURJKSA-N 0 0 439.555 3.689 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)ccc1F ZINC000009106836 569501842 /nfs/dbraw/zinc/50/18/42/569501842.db2.gz KWKKHPBWHWQBFQ-GOSISDBHSA-N 0 0 439.555 3.689 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000009106839 569501851 /nfs/dbraw/zinc/50/18/51/569501851.db2.gz XSQCYCCDTYFOGK-GOSISDBHSA-N 0 0 439.555 3.689 50 0 IHAARN COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009109655 569501983 /nfs/dbraw/zinc/50/19/83/569501983.db2.gz RQKDBODHRRZWJH-PXLXIMEGSA-N 0 0 429.476 3.899 50 0 IHAARN O=C(CCn1ccc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009111699 569502319 /nfs/dbraw/zinc/50/23/19/569502319.db2.gz XCQJHYFAMHJLEB-UHFFFAOYSA-N 0 0 438.487 3.558 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O ZINC000009116516 569502979 /nfs/dbraw/zinc/50/29/79/569502979.db2.gz QFFHFNJKWWJSPQ-UHFFFAOYSA-N 0 0 443.459 3.752 50 0 IHAARN CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245330040 569504049 /nfs/dbraw/zinc/50/40/49/569504049.db2.gz WSCHBVZXJZMYCN-MZNJEOGPSA-N 0 0 443.588 3.694 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(C)n1-c1nccs1 ZINC000009125754 569504712 /nfs/dbraw/zinc/50/47/12/569504712.db2.gz XGDPBZYKWRDJKA-KRWDZBQOSA-N 0 0 437.521 3.638 50 0 IHAARN Cc1cnc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000009129236 569505743 /nfs/dbraw/zinc/50/57/43/569505743.db2.gz MXQRJDMJXONKKE-UHFFFAOYSA-N 0 0 431.539 3.603 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000009131527 569506959 /nfs/dbraw/zinc/50/69/59/569506959.db2.gz YAHGMWGYLKHTLX-OAHLLOKOSA-N 0 0 439.468 3.609 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1 ZINC000069564638 569507265 /nfs/dbraw/zinc/50/72/65/569507265.db2.gz HTKPQOWSGVDGQU-XMMPIXPASA-N 0 0 448.567 3.911 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1 ZINC000069564645 569507288 /nfs/dbraw/zinc/50/72/88/569507288.db2.gz HTKPQOWSGVDGQU-DEOSSOPVSA-N 0 0 448.567 3.911 50 0 IHAARN O=C(CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000009151487 569507510 /nfs/dbraw/zinc/50/75/10/569507510.db2.gz XGCZNPUFHNLRSO-UHFFFAOYSA-N 0 0 437.839 3.533 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000009151845 569507644 /nfs/dbraw/zinc/50/76/44/569507644.db2.gz ZOPXEYXKBYYWAH-UHFFFAOYSA-N 0 0 431.945 3.959 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C ZINC000009152787 569507884 /nfs/dbraw/zinc/50/78/84/569507884.db2.gz PWESCRBBDILOTN-UKRRQHHQSA-N 0 0 432.567 3.927 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152764 569507890 /nfs/dbraw/zinc/50/78/90/569507890.db2.gz UVUZLGXHTHDIBX-NEPJUHHUSA-N 0 0 438.958 3.964 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1F ZINC000009152878 569507917 /nfs/dbraw/zinc/50/79/17/569507917.db2.gz UZFMLFMPCLMHMX-QWHCGFSZSA-N 0 0 436.530 3.758 50 0 IHAARN COc1ccc(N(Cc2nnnn2-c2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000009165363 569508804 /nfs/dbraw/zinc/50/88/04/569508804.db2.gz CYRCCFAKBNLBPW-UHFFFAOYSA-N 0 0 449.536 3.683 50 0 IHAARN CCN1c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170787 569509288 /nfs/dbraw/zinc/50/92/88/569509288.db2.gz DYODWMVBKLQXKB-UHFFFAOYSA-N 0 0 445.541 3.526 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000009187276 569510313 /nfs/dbraw/zinc/51/03/13/569510313.db2.gz YDBFJEJKHQZBHV-UHFFFAOYSA-N 0 0 432.549 3.895 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Oc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009189864 569510517 /nfs/dbraw/zinc/51/05/17/569510517.db2.gz NKFABEUDURBCPP-HSZRJFAPSA-N 0 0 438.524 3.659 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)NCCOc1ccccc1 ZINC000009189650 569510522 /nfs/dbraw/zinc/51/05/22/569510522.db2.gz DOGAEOGVNYOTGH-UHFFFAOYSA-N 0 0 446.532 3.927 50 0 IHAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)oc2c1 ZINC000009194602 569510946 /nfs/dbraw/zinc/51/09/46/569510946.db2.gz YDJOIBOSSOFFEN-UHFFFAOYSA-N 0 0 440.521 3.837 50 0 IHAARN CSc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000009211644 569511815 /nfs/dbraw/zinc/51/18/15/569511815.db2.gz UUZSKFWUYKBVHW-CQSZACIVSA-N 0 0 432.567 3.509 50 0 IHAARN COc1ccccc1[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1nccn1C ZINC000009219790 569512483 /nfs/dbraw/zinc/51/24/83/569512483.db2.gz GLIJFOGCKMJNEP-HXUWFJFHSA-N 0 0 429.459 3.898 50 0 IHAARN COc1ccc(CN(Cc2cccs2)C(=O)c2n[nH]c(=O)c3ccccc32)cc1OC ZINC000009223096 569512901 /nfs/dbraw/zinc/51/29/01/569512901.db2.gz QTYQNOVHNQBVHA-UHFFFAOYSA-N 0 0 435.505 3.844 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccncc1)Cc1cccnc1 ZINC000009224333 569513163 /nfs/dbraw/zinc/51/31/63/569513163.db2.gz QSLINAKPDNPWOW-UHFFFAOYSA-N 0 0 435.484 3.987 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 ZINC000009238486 569514372 /nfs/dbraw/zinc/51/43/72/569514372.db2.gz UZEGDIKKXKRMQF-PMACEKPBSA-N 0 0 435.553 3.725 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239116 569514477 /nfs/dbraw/zinc/51/44/77/569514477.db2.gz JSZCYAHILMRIFC-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000009242948 569514738 /nfs/dbraw/zinc/51/47/38/569514738.db2.gz NRXABIVYYLKARO-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN Cc1cc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009244688 569515126 /nfs/dbraw/zinc/51/51/26/569515126.db2.gz KZUDGKFLULCXLX-GOSISDBHSA-N 0 0 426.563 3.856 50 0 IHAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cc(Br)ccc1OC ZINC000009249799 569515491 /nfs/dbraw/zinc/51/54/91/569515491.db2.gz YVYNIEOZOMGZDJ-LBPRGKRZSA-N 0 0 438.347 3.528 50 0 IHAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 ZINC000009249825 569515513 /nfs/dbraw/zinc/51/55/13/569515513.db2.gz AEXLTGBNJVYVFJ-SFHVURJKSA-N 0 0 449.532 3.642 50 0 IHAARN Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 ZINC000009249952 569515582 /nfs/dbraw/zinc/51/55/82/569515582.db2.gz RHDLUUMTXGOFCS-QGZVFWFLSA-N 0 0 449.532 3.626 50 0 IHAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC ZINC000009250732 569515686 /nfs/dbraw/zinc/51/56/86/569515686.db2.gz RMJDYBLQFZASES-OAQYLSRUSA-N 0 0 425.510 3.981 50 0 IHAARN Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)NCc3ccccc3Br)n21 ZINC000009251459 569515894 /nfs/dbraw/zinc/51/58/94/569515894.db2.gz JAUZSTJDWSVUTF-AWEZNQCLSA-N 0 0 439.313 3.598 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009252789 569516075 /nfs/dbraw/zinc/51/60/75/569516075.db2.gz PCKQZLGJAVOVNN-ZDUSSCGKSA-N 0 0 425.441 3.670 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1-n1cnnn1 ZINC000009252819 569516094 /nfs/dbraw/zinc/51/60/94/569516094.db2.gz DOYZNBDLMFDQKO-UHFFFAOYSA-N 0 0 438.285 3.957 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)N1CCCCC1 ZINC000009256911 569516774 /nfs/dbraw/zinc/51/67/74/569516774.db2.gz HILFLEFWLUSRFF-HNNXBMFYSA-N 0 0 447.626 3.620 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009256458 569516779 /nfs/dbraw/zinc/51/67/79/569516779.db2.gz UIKOLOTVRQHCCZ-MRXNPFEDSA-N 0 0 449.985 3.982 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O ZINC000009257431 569516812 /nfs/dbraw/zinc/51/68/12/569516812.db2.gz GEPYOVQHRIHYLR-VWLOTQADSA-N 0 0 430.460 3.651 50 0 IHAARN COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc(OC)c1OC ZINC000009260586 569516917 /nfs/dbraw/zinc/51/69/17/569516917.db2.gz VUDFGOXIOXBYLI-UHFFFAOYSA-N 0 0 431.448 3.868 50 0 IHAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000009263419 569517143 /nfs/dbraw/zinc/51/71/43/569517143.db2.gz IKXNZJAHQTYBJZ-UHFFFAOYSA-N 0 0 425.297 3.620 50 0 IHAARN COc1ccccc1NC(=O)Cc1nnc(SCCOc2ccc(Cl)cc2)n1C ZINC000009263757 569517205 /nfs/dbraw/zinc/51/72/05/569517205.db2.gz SCHBOVWASSVKDE-UHFFFAOYSA-N 0 0 432.933 3.829 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2C)c1 ZINC000009263934 569517231 /nfs/dbraw/zinc/51/72/31/569517231.db2.gz QLDRZUICQPFERB-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3nc(C)ccc3c2=O)c1 ZINC000009268146 569517505 /nfs/dbraw/zinc/51/75/05/569517505.db2.gz XTWGOPJORSJVBP-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)C2)c1 ZINC000009268988 569517565 /nfs/dbraw/zinc/51/75/65/569517565.db2.gz OEHSCNUMMJZVCI-AWEZNQCLSA-N 0 0 434.539 3.907 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)C1 ZINC000009273740 569518106 /nfs/dbraw/zinc/51/81/06/569518106.db2.gz UXBXROJTMYWKJW-VXGBXAGGSA-N 0 0 448.390 3.876 50 0 IHAARN Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000009273819 569518117 /nfs/dbraw/zinc/51/81/17/569518117.db2.gz SGTCOUJZNXFVTL-QGZVFWFLSA-N 0 0 440.565 3.509 50 0 IHAARN CCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(OC)c1 ZINC000009283810 569518974 /nfs/dbraw/zinc/51/89/74/569518974.db2.gz QNELCOOUSNCAAS-UHFFFAOYSA-N 0 0 432.571 3.695 50 0 IHAARN Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1C1CCCCC1 ZINC000009284008 569518987 /nfs/dbraw/zinc/51/89/87/569518987.db2.gz BOSGZKUCWRBOIT-UHFFFAOYSA-N 0 0 435.981 3.934 50 0 IHAARN CC(C)c1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009289958 569519618 /nfs/dbraw/zinc/51/96/18/569519618.db2.gz JCQUKPFCTAVNGG-UHFFFAOYSA-N 0 0 440.525 3.977 50 0 IHAARN COCCn1c(C)cc(C(=O)C(=O)Nc2nnc(COc3cc(C)ccc3C)s2)c1C ZINC000009290203 569519755 /nfs/dbraw/zinc/51/97/55/569519755.db2.gz ZAQNZQILCUCOCC-UHFFFAOYSA-N 0 0 442.541 3.620 50 0 IHAARN COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O ZINC000009293141 569520134 /nfs/dbraw/zinc/52/01/34/569520134.db2.gz OACIGTDLGCEVFJ-QHCPKHFHSA-N 0 0 437.496 3.857 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3ccccc3C)n(CCc3ccccc3)c(=O)c2n1 ZINC000009299957 569520548 /nfs/dbraw/zinc/52/05/48/569520548.db2.gz GREWVAPTOJQVQL-UHFFFAOYSA-N 0 0 447.564 3.895 50 0 IHAARN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000009302376 569520821 /nfs/dbraw/zinc/52/08/21/569520821.db2.gz FHCMGEUNLRMVED-ZDUSSCGKSA-N 0 0 444.586 3.593 50 0 IHAARN COc1ccc(-c2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)n[nH]2)cc1 ZINC000009302482 569520857 /nfs/dbraw/zinc/52/08/57/569520857.db2.gz BUTPMQPSJKVTTB-UHFFFAOYSA-N 0 0 427.511 3.829 50 0 IHAARN Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009303707 569521081 /nfs/dbraw/zinc/52/10/81/569521081.db2.gz NHPLOASVWXQDAD-CQSZACIVSA-N 0 0 426.498 3.551 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000009308549 569521546 /nfs/dbraw/zinc/52/15/46/569521546.db2.gz YQMYIWINGBILBK-UHFFFAOYSA-N 0 0 434.319 3.718 50 0 IHAARN COc1ccc(N2C[C@H](c3nc(-c4cccc(OC)c4OC)no3)CC2=O)cc1Cl ZINC000009318496 569522476 /nfs/dbraw/zinc/52/24/76/569522476.db2.gz HDTCEFIMAZPXBF-GFCCVEGCSA-N 0 0 429.860 3.936 50 0 IHAARN CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009335295 569523280 /nfs/dbraw/zinc/52/32/80/569523280.db2.gz IJCLLWZSCZLHFF-UHFFFAOYSA-N 0 0 446.503 3.801 50 0 IHAARN O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009338582 569523676 /nfs/dbraw/zinc/52/36/76/569523676.db2.gz FXNCXCQRWMXJGF-UHFFFAOYSA-N 0 0 446.532 3.600 50 0 IHAARN Cc1cc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)ccc1Br ZINC000009340389 569523866 /nfs/dbraw/zinc/52/38/66/569523866.db2.gz XDVAVVQHWWZFRW-UHFFFAOYSA-N 0 0 445.317 3.645 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000009349149 569524698 /nfs/dbraw/zinc/52/46/98/569524698.db2.gz ZLPHJTSONHLOIY-UHFFFAOYSA-N 0 0 435.402 3.770 50 0 IHAARN O=C(CSCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)cc1F ZINC000009349556 569524757 /nfs/dbraw/zinc/52/47/57/569524757.db2.gz REAJAFRHZWWNCX-UHFFFAOYSA-N 0 0 434.489 3.999 50 0 IHAARN Nn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000009353686 569524971 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ZINC000009503294 569541773 /nfs/dbraw/zinc/54/17/73/569541773.db2.gz LYKAONLCSCLUKJ-KBPBESRZSA-N 0 0 434.945 3.829 50 0 IHAARN O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009504822 569541867 /nfs/dbraw/zinc/54/18/67/569541867.db2.gz XWQIOEKRLSADEB-UHFFFAOYSA-N 0 0 429.361 3.550 50 0 IHAARN CC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000009509457 569542545 /nfs/dbraw/zinc/54/25/45/569542545.db2.gz RSBSJRKKXUDLHX-UHFFFAOYSA-N 0 0 439.331 3.866 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc(OC)c(OC)c2)c1 ZINC000009510173 569542689 /nfs/dbraw/zinc/54/26/89/569542689.db2.gz AXXJRELHWGDLSC-UHFFFAOYSA-N 0 0 437.587 3.852 50 0 IHAARN Cc1cccn2c(=O)c3cc(C(=O)NCCCOC(C)C)n(Cc4ccccc4)c3nc12 ZINC000009510845 569542780 /nfs/dbraw/zinc/54/27/80/569542780.db2.gz FUTOJBMULYHVIH-UHFFFAOYSA-N 0 0 432.524 3.551 50 0 IHAARN O=C(Cn1cc(C(=O)C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc21)N1CCCC1 ZINC000009518884 569544223 /nfs/dbraw/zinc/54/42/23/569544223.db2.gz FLBXYWOTNUZHBW-UHFFFAOYSA-N 0 0 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ZINC000009561027 569547137 /nfs/dbraw/zinc/54/71/37/569547137.db2.gz WREUYISDKMEFBI-BJKOFHAPSA-N 0 0 433.552 3.974 50 0 IHAARN O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000009563001 569547371 /nfs/dbraw/zinc/54/73/71/569547371.db2.gz KGMMDQOPWNYPEA-UHFFFAOYSA-N 0 0 425.423 3.772 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(Cl)c4)n3n2)c1 ZINC000009569078 569547561 /nfs/dbraw/zinc/54/75/61/569547561.db2.gz RQTONXLDRLXFTE-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCCc2ccccc21 ZINC000009579920 569548613 /nfs/dbraw/zinc/54/86/13/569548613.db2.gz DYMQYLOOZAGAME-DFBJGRDBSA-N 0 0 431.492 3.736 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000009580043 569548703 /nfs/dbraw/zinc/54/87/03/569548703.db2.gz RBSYPPFENXCOGV-QHCPKHFHSA-N 0 0 434.536 3.578 50 0 IHAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000070637973 569548937 /nfs/dbraw/zinc/54/89/37/569548937.db2.gz NWDQZWVWQVYSSI-UHFFFAOYSA-N 0 0 438.535 3.785 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 ZINC000070638612 569548996 /nfs/dbraw/zinc/54/89/96/569548996.db2.gz XAUIYEJSHLVTFL-UHFFFAOYSA-N 0 0 437.930 3.697 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)n1 ZINC000070638170 569549011 /nfs/dbraw/zinc/54/90/11/569549011.db2.gz FOKICYFERVKDSC-MRXNPFEDSA-N 0 0 433.541 3.744 50 0 IHAARN O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000070640156 569549018 /nfs/dbraw/zinc/54/90/18/569549018.db2.gz OCWPNMVRTVJNHA-CQSZACIVSA-N 0 0 429.338 3.616 50 0 IHAARN O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000070640158 569549020 /nfs/dbraw/zinc/54/90/20/569549020.db2.gz OCWPNMVRTVJNHA-AWEZNQCLSA-N 0 0 429.338 3.616 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 ZINC000009584788 569549448 /nfs/dbraw/zinc/54/94/48/569549448.db2.gz UTHQFWWPACKHBR-JOCHJYFZSA-N 0 0 443.341 3.700 50 0 IHAARN COc1cc(OC)c([C@@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)cc1OC ZINC000009584609 569549454 /nfs/dbraw/zinc/54/94/54/569549454.db2.gz SNWWYCJYVWTKFA-IBGZPJMESA-N 0 0 435.274 3.714 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1S(=O)(=O)N1CCCC1 ZINC000009586001 569549635 /nfs/dbraw/zinc/54/96/35/569549635.db2.gz FGDYZZIUCYTVDF-UHFFFAOYSA-N 0 0 447.538 3.757 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000009586067 569549638 /nfs/dbraw/zinc/54/96/38/569549638.db2.gz NXELILWEKZOVLS-UHFFFAOYSA-N 0 0 429.505 3.917 50 0 IHAARN CC(=O)NCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)o1 ZINC000009586814 569549710 /nfs/dbraw/zinc/54/97/10/569549710.db2.gz LKLHSGUIDRKSKV-UHFFFAOYSA-N 0 0 443.459 3.808 50 0 IHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2nnc3ccccc32)cc1OC ZINC000009591162 569550162 /nfs/dbraw/zinc/55/01/62/569550162.db2.gz CJEXNHLWRZQLKH-LJQANCHMSA-N 0 0 447.520 3.888 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CCCN1C(=O)c3cccc4cccc(c43)C1=O)OCO2 ZINC000009594461 569550556 /nfs/dbraw/zinc/55/05/56/569550556.db2.gz KNCJSFPWLDLXHW-UHFFFAOYSA-N 0 0 444.443 3.786 50 0 IHAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000070666301 569550574 /nfs/dbraw/zinc/55/05/74/569550574.db2.gz GJLFROHJPXCMID-UHFFFAOYSA-N 0 0 427.453 3.707 50 0 biogenic IHAARN COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000009595479 569550774 /nfs/dbraw/zinc/55/07/74/569550774.db2.gz SHNNIXXALNGOCC-GOSISDBHSA-N 0 0 445.519 3.824 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1F ZINC000009599085 569551177 /nfs/dbraw/zinc/55/11/77/569551177.db2.gz DOBOCSGZKOJVEN-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)ccc2s1 ZINC000009599522 569551261 /nfs/dbraw/zinc/55/12/61/569551261.db2.gz ADWQAKDQBVAPAI-KRWDZBQOSA-N 0 0 445.566 3.657 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1 ZINC000009599671 569551316 /nfs/dbraw/zinc/55/13/16/569551316.db2.gz BLQAYUPSLGLBDH-UHFFFAOYSA-N 0 0 439.468 3.877 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cc3cc(C(=O)NCCc4ccccc4)ccc3oc2=O)cc1 ZINC000009610666 569552561 /nfs/dbraw/zinc/55/25/61/569552561.db2.gz QEMFETLNUHFNEZ-UHFFFAOYSA-N 0 0 447.512 3.907 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1 ZINC000009610665 569552592 /nfs/dbraw/zinc/55/25/92/569552592.db2.gz QJWXEDCIBFKICM-UHFFFAOYSA-N 0 0 433.485 3.598 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000009611600 569552792 /nfs/dbraw/zinc/55/27/92/569552792.db2.gz LDGZHPPUSXGTHB-UHFFFAOYSA-N 0 0 429.977 3.955 50 0 IHAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000009612862 569552973 /nfs/dbraw/zinc/55/29/73/569552973.db2.gz BOTQJYAYKSGUQZ-GOSISDBHSA-N 0 0 440.487 3.639 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)cc1OC ZINC000009614519 569553126 /nfs/dbraw/zinc/55/31/26/569553126.db2.gz RJKBPEFSXTWJGM-VWLOTQADSA-N 0 0 435.451 3.850 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1OC ZINC000009628137 569553575 /nfs/dbraw/zinc/55/35/75/569553575.db2.gz AQHBKWUYCIMIRG-CQSZACIVSA-N 0 0 425.510 3.833 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000009630818 569553663 /nfs/dbraw/zinc/55/36/63/569553663.db2.gz GVDJBWZPELEVNB-UHFFFAOYSA-N 0 0 429.542 3.778 50 0 IHAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 ZINC000009631320 569553749 /nfs/dbraw/zinc/55/37/49/569553749.db2.gz AQSIBRHNUHZHTC-IAGOWNOFSA-N 0 0 434.492 3.703 50 0 IHAARN CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000009632987 569554107 /nfs/dbraw/zinc/55/41/07/569554107.db2.gz BTEAJPDRGNJBQV-UHFFFAOYSA-N 0 0 443.960 3.973 50 0 IHAARN Cc1cccc2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc(=O)n12 ZINC000009634129 569554395 /nfs/dbraw/zinc/55/43/95/569554395.db2.gz XGWFPIFBPUIWQZ-MRXNPFEDSA-N 0 0 439.566 3.794 50 0 IHAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)cc4)n3)c2C)cc1OC ZINC000009638316 569554986 /nfs/dbraw/zinc/55/49/86/569554986.db2.gz PQUDQCFBFWLYMJ-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN CCOCCCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccncc1 ZINC000009640315 569555397 /nfs/dbraw/zinc/55/53/97/569555397.db2.gz OZPRYXCVNWKQGB-QGZVFWFLSA-N 0 0 425.558 3.910 50 0 IHAARN Nc1nc(N)nc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc32)n1 ZINC000009646592 569556334 /nfs/dbraw/zinc/55/63/34/569556334.db2.gz GDRFIHBDAXKBGO-UHFFFAOYSA-N 0 0 440.330 3.701 50 0 IHAARN CCCCc1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(F)cc2)c3=O)cc1 ZINC000009659647 569556711 /nfs/dbraw/zinc/55/67/11/569556711.db2.gz TXTOYSUNQYNCOK-UHFFFAOYSA-N 0 0 434.471 3.752 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000009661082 569556961 /nfs/dbraw/zinc/55/69/61/569556961.db2.gz MSFWEKWFUCZPMT-UHFFFAOYSA-N 0 0 425.452 3.571 50 0 IHAARN Cn1nc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccccc2c1=O ZINC000009664607 569557407 /nfs/dbraw/zinc/55/74/07/569557407.db2.gz JWBZCTMCPOUNEA-NRFANRHFSA-N 0 0 431.423 3.609 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)on2)cc1 ZINC000009666715 569557808 /nfs/dbraw/zinc/55/78/08/569557808.db2.gz ASFCJCOIJZFEAY-AWEZNQCLSA-N 0 0 431.543 3.823 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000009668548 569557953 /nfs/dbraw/zinc/55/79/53/569557953.db2.gz YNVFWXIOMRNZKO-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009668695 569557979 /nfs/dbraw/zinc/55/79/79/569557979.db2.gz MGSOOELQYMRHTC-UHFFFAOYSA-N 0 0 434.583 3.991 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009669396 569558040 /nfs/dbraw/zinc/55/80/40/569558040.db2.gz NEXHSTJRIXALME-UHFFFAOYSA-N 0 0 435.461 3.894 50 0 IHAARN CCn1c(CSc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009669764 569558188 /nfs/dbraw/zinc/55/81/88/569558188.db2.gz GBTCMHCEZCKJOU-UHFFFAOYSA-N 0 0 431.583 3.678 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1OC ZINC000009670011 569558199 /nfs/dbraw/zinc/55/81/99/569558199.db2.gz GWICIHQZXDOWLX-UHFFFAOYSA-N 0 0 444.582 3.691 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)cc1Cl ZINC000009671231 569558529 /nfs/dbraw/zinc/55/85/29/569558529.db2.gz NDWLVKBUCGFKSD-DGCLKSJQSA-N 0 0 438.858 3.866 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N(C)c1ccccc1 ZINC000009790900 569568211 /nfs/dbraw/zinc/56/82/11/569568211.db2.gz UQIWIFUSFQSEJT-GFCCVEGCSA-N 0 0 432.347 3.565 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2cccc(C)c2)cc1 ZINC000009671599 569558594 /nfs/dbraw/zinc/55/85/94/569558594.db2.gz KGDPRTLVJUSRDB-UHFFFAOYSA-N 0 0 436.537 3.883 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(NC4CC4)s3)n2)c1 ZINC000009671718 569558599 /nfs/dbraw/zinc/55/85/99/569558599.db2.gz OWSBCDDGWYQJDV-UHFFFAOYSA-N 0 0 449.583 3.984 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000009671967 569558648 /nfs/dbraw/zinc/55/86/48/569558648.db2.gz ROAHQVRCDBFGFX-UHFFFAOYSA-N 0 0 427.526 3.545 50 0 IHAARN O=C(c1cccs1)N1CCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 ZINC000009671917 569558685 /nfs/dbraw/zinc/55/86/85/569558685.db2.gz RAOXSNKLZBNDNR-NRFANRHFSA-N 0 0 446.528 3.801 50 0 IHAARN COc1cc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)[nH]c(=O)c2cc1OC ZINC000009672552 569558836 /nfs/dbraw/zinc/55/88/36/569558836.db2.gz MMYPVMWVEVZODV-UHFFFAOYSA-N 0 0 435.509 3.691 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(CC)c3)cc2C[C@H]1C ZINC000009677081 569559541 /nfs/dbraw/zinc/55/95/41/569559541.db2.gz PYUWQCYKRBOGHG-MRXNPFEDSA-N 0 0 428.554 3.739 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000009681181 569560265 /nfs/dbraw/zinc/56/02/65/569560265.db2.gz FNMACWHIIXLBFM-JOCHJYFZSA-N 0 0 436.537 3.883 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)s2)on1 ZINC000009688772 569560805 /nfs/dbraw/zinc/56/08/05/569560805.db2.gz MNOKJLWJQAFSLC-UHFFFAOYSA-N 0 0 440.930 3.754 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)[C@H](C)CCc3ccco3)s2)on1 ZINC000009689012 569560890 /nfs/dbraw/zinc/56/08/90/569560890.db2.gz YCBDGMLJJRXRFW-CYBMUJFWSA-N 0 0 438.527 3.815 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000009691078 569561028 /nfs/dbraw/zinc/56/10/28/569561028.db2.gz CXNZNFVKLOFCHC-HSZRJFAPSA-N 0 0 427.932 3.904 50 0 IHAARN COc1ccc(CCNC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1OC ZINC000009692076 569561079 /nfs/dbraw/zinc/56/10/79/569561079.db2.gz LWSZFJDNZCRAKN-UHFFFAOYSA-N 0 0 446.956 3.660 50 0 IHAARN CCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000009703929 569561407 /nfs/dbraw/zinc/56/14/07/569561407.db2.gz XGVYRTRSINEVTE-UHFFFAOYSA-N 0 0 436.618 3.741 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000009707765 569561640 /nfs/dbraw/zinc/56/16/40/569561640.db2.gz ALKUMYOGZACHKY-UHFFFAOYSA-N 0 0 430.507 3.627 50 0 IHAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708295 569561898 /nfs/dbraw/zinc/56/18/98/569561898.db2.gz PTUVSMSERBUPDC-HXUWFJFHSA-N 0 0 439.968 3.938 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 ZINC000009712185 569562179 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Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2ccccc2F)cc1 ZINC000009720585 569563329 /nfs/dbraw/zinc/56/33/29/569563329.db2.gz TVISDSQKHHHZEU-UHFFFAOYSA-N 0 0 440.540 3.684 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000009725019 569563762 /nfs/dbraw/zinc/56/37/62/569563762.db2.gz UWSCOGZSNIPHMB-UHFFFAOYSA-N 0 0 448.426 3.732 50 0 IHAARN COc1cccc2cc(C(=O)NCC3CCN(c4nc5ccccc5o4)CC3)c(=O)oc21 ZINC000070932336 569564134 /nfs/dbraw/zinc/56/41/34/569564134.db2.gz BAXNFXCWLRGTMO-UHFFFAOYSA-N 0 0 433.464 3.589 50 0 IHAARN COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000009730536 569564447 /nfs/dbraw/zinc/56/44/47/569564447.db2.gz ZLFROMMISZDMHA-HMMYKYKNSA-N 0 0 427.460 3.679 50 0 IHAARN O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000009730683 569564488 /nfs/dbraw/zinc/56/44/88/569564488.db2.gz WCTRGUYOHRBUIC-RISCZKNCSA-N 0 0 438.187 3.544 50 0 IHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009731320 569564589 /nfs/dbraw/zinc/56/45/89/569564589.db2.gz XEJUAYOYMJLGKY-UHFFFAOYSA-N 0 0 440.569 3.802 50 0 IHAARN CCN(C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)C1=CCCCC1 ZINC000009737241 569564754 /nfs/dbraw/zinc/56/47/54/569564754.db2.gz JZFHQHBFAKHVSN-AREMUKBSSA-N 0 0 431.536 3.983 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009737444 569564787 /nfs/dbraw/zinc/56/47/87/569564787.db2.gz FERMBJITMWVZKA-JOCHJYFZSA-N 0 0 449.528 3.517 50 0 IHAARN CCOc1ccccc1-c1nc2c([nH]c(=O)n2-c2ccc(C(C)(C)C)cc2)c(C(N)=O)n1 ZINC000009738950 569564974 /nfs/dbraw/zinc/56/49/74/569564974.db2.gz XCBGSAIOSVDTHH-UHFFFAOYSA-N 0 0 431.496 3.571 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2cccs2)c1 ZINC000009742697 569565444 /nfs/dbraw/zinc/56/54/44/569565444.db2.gz NDRSHTRZWMSZMH-QGZVFWFLSA-N 0 0 441.621 3.920 50 0 IHAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000009751005 569566041 /nfs/dbraw/zinc/56/60/41/569566041.db2.gz AXDSLFYKWXGQEU-GFCCVEGCSA-N 0 0 442.522 3.509 50 0 IHAARN Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N(C)C ZINC000009754255 569566150 /nfs/dbraw/zinc/56/61/50/569566150.db2.gz PSISIVBUHFIUCD-UHFFFAOYSA-N 0 0 431.739 3.914 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009764397 569566797 /nfs/dbraw/zinc/56/67/97/569566797.db2.gz WGIFTAYATGWLIM-QWHCGFSZSA-N 0 0 438.899 3.676 50 0 IHAARN COc1ccccc1-n1cc(C(=O)NCC(=O)NC2CCCCCC2)c2ccccc2c1=O ZINC000009775531 569566987 /nfs/dbraw/zinc/56/69/87/569566987.db2.gz IFWSOVRUUBZCDY-UHFFFAOYSA-N 0 0 447.535 3.568 50 0 IHAARN COc1cccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778805 569567321 /nfs/dbraw/zinc/56/73/21/569567321.db2.gz OYHOSWFJEZDWDS-YADHBBJMSA-N 0 0 430.435 3.895 50 0 IHAARN COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778809 569567336 /nfs/dbraw/zinc/56/73/36/569567336.db2.gz OYHOSWFJEZDWDS-VXKWHMMOSA-N 0 0 430.435 3.895 50 0 IHAARN Cn1c2nc(NC3CCCCC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000009782509 569567725 /nfs/dbraw/zinc/56/77/25/569567725.db2.gz LLQQXCNQZJAQAM-UHFFFAOYSA-N 0 0 436.343 3.533 50 0 biogenic IHAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)[C@H]1C ZINC000009783557 569567837 /nfs/dbraw/zinc/56/78/37/569567837.db2.gz OHFOYVMLLSKEPX-WCXIOVBPSA-N 0 0 444.553 3.621 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000009789346 569568135 /nfs/dbraw/zinc/56/81/35/569568135.db2.gz JAOZHQSTGMXTRJ-OAHLLOKOSA-N 0 0 438.582 3.849 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nncn1-c1ccccc1 ZINC000009792458 569568282 /nfs/dbraw/zinc/56/82/82/569568282.db2.gz OBXKCFGHERUNNC-UHFFFAOYSA-N 0 0 440.554 3.910 50 0 IHAARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1 ZINC000009793627 569568330 /nfs/dbraw/zinc/56/83/30/569568330.db2.gz MBZCCKQTPNLIMF-UHFFFAOYSA-N 0 0 428.554 3.734 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3sccc3c2=O)cc1 ZINC000009795612 569568466 /nfs/dbraw/zinc/56/84/66/569568466.db2.gz HAIYMZREYDVUJA-NRFANRHFSA-N 0 0 444.516 3.845 50 0 IHAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000009795860 569568468 /nfs/dbraw/zinc/56/84/68/569568468.db2.gz SFZFJBLKGQINSK-UHFFFAOYSA-N 0 0 444.520 3.954 50 0 IHAARN COc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1OC ZINC000009808935 569569072 /nfs/dbraw/zinc/56/90/72/569569072.db2.gz CEFOXYFKUTXXCT-UHFFFAOYSA-N 0 0 440.500 3.895 50 0 IHAARN COc1cc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)ccc1OCc1ccccc1 ZINC000009813270 569569120 /nfs/dbraw/zinc/56/91/20/569569120.db2.gz NSLZECLBPZMXTF-UHFFFAOYSA-N 0 0 439.533 3.950 50 0 IHAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009815988 569569218 /nfs/dbraw/zinc/56/92/18/569569218.db2.gz KZDZVAGXZDRLDL-UHFFFAOYSA-N 0 0 429.524 3.980 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1nnc2ccc(-c3ccc(C)cc3)nn21 ZINC000009829104 569569980 /nfs/dbraw/zinc/56/99/80/569569980.db2.gz BZPFTIXIZMGHAZ-UHFFFAOYSA-N 0 0 433.537 3.559 50 0 IHAARN CCCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccncc1 ZINC000009833488 569570322 /nfs/dbraw/zinc/57/03/22/569570322.db2.gz LDXKRTQJHPBLMQ-UHFFFAOYSA-N 0 0 436.541 3.608 50 0 IHAARN COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009833932 569570473 /nfs/dbraw/zinc/57/04/73/569570473.db2.gz YJCSISXHVABBQG-GOSISDBHSA-N 0 0 429.538 3.959 50 0 IHAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 ZINC000009836729 569570810 /nfs/dbraw/zinc/57/08/10/569570810.db2.gz BDDUEQVGNHQPNM-HNAYVOBHSA-N 0 0 448.548 3.548 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(Br)c3)n2)cc1 ZINC000009844363 569570888 /nfs/dbraw/zinc/57/08/88/569570888.db2.gz NRGZGSCPNFNZOM-UHFFFAOYSA-N 0 0 442.313 3.502 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C)cc3C)nn2)cc1 ZINC000009852984 569571508 /nfs/dbraw/zinc/57/15/08/569571508.db2.gz MVIMOQPBKCSCOX-UHFFFAOYSA-N 0 0 427.526 3.516 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(F)c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009868248 569572330 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50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000009940200 569573935 /nfs/dbraw/zinc/57/39/35/569573935.db2.gz BBLUQDPOZWNJTF-QZTJIDSGSA-N 0 0 425.337 3.910 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)c1 ZINC000009956710 569574744 /nfs/dbraw/zinc/57/47/44/569574744.db2.gz DGOVEKYOSWXSGN-HSZRJFAPSA-N 0 0 440.565 3.654 50 0 IHAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C3=C2C(=O)OC3)cc1 ZINC000071326901 569575023 /nfs/dbraw/zinc/57/50/23/569575023.db2.gz VKQNWNCFLWEMTF-OAQYLSRUSA-N 0 0 437.521 3.541 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009959750 569575198 /nfs/dbraw/zinc/57/51/98/569575198.db2.gz OXLBHJXNCTWERV-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN Cc1occc1-c1nnc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1N ZINC000009959724 569575239 /nfs/dbraw/zinc/57/52/39/569575239.db2.gz XEFOWBAKXOWLFD-GXSJLCMTSA-N 0 0 442.570 3.836 50 0 IHAARN Cc1ccc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000009969571 569576071 /nfs/dbraw/zinc/57/60/71/569576071.db2.gz NZASZKBYUNECQP-UHFFFAOYSA-N 0 0 426.929 3.595 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000009981772 569576496 /nfs/dbraw/zinc/57/64/96/569576496.db2.gz FPXUPDSKCVVQTI-UHFFFAOYSA-N 0 0 449.511 3.886 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2c(C)noc2C)cc1 ZINC000009982143 569576560 /nfs/dbraw/zinc/57/65/60/569576560.db2.gz ROIDQIMPQVWWRH-NRFANRHFSA-N 0 0 433.464 3.835 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000009983608 569576602 /nfs/dbraw/zinc/57/66/02/569576602.db2.gz SPRQDTUOLRAMKI-UHFFFAOYSA-N 0 0 448.441 3.565 50 0 IHAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C)nn(-c3ccc(C)cc3)c1C)C2=O ZINC000009983294 569576623 /nfs/dbraw/zinc/57/66/23/569576623.db2.gz RSCLMOVKSVLXGV-UHFFFAOYSA-N 0 0 437.544 3.627 50 0 IHAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009987315 569576774 /nfs/dbraw/zinc/57/67/74/569576774.db2.gz CFQIGPWTIVXLAS-HNNXBMFYSA-N 0 0 443.341 3.689 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 ZINC000010013995 569577138 /nfs/dbraw/zinc/57/71/38/569577138.db2.gz CNRXMTRKFBMXIE-UHFFFAOYSA-N 0 0 438.505 3.553 50 0 IHAARN O=C(Nc1cccc2cccnc21)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000010021219 569577176 /nfs/dbraw/zinc/57/71/76/569577176.db2.gz CWYTUDXTKYKVAQ-UHFFFAOYSA-N 0 0 431.464 3.552 50 0 IHAARN Cc1sc2ncn(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c(=O)c2c1-c1ccccc1 ZINC000010031717 569577330 /nfs/dbraw/zinc/57/73/30/569577330.db2.gz LLQJBXJNIKXEMQ-UHFFFAOYSA-N 0 0 446.532 3.880 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000010053901 569577496 /nfs/dbraw/zinc/57/74/96/569577496.db2.gz FUMIKGGPOGFYEF-MRXNPFEDSA-N 0 0 430.526 3.780 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000010042928 569577518 /nfs/dbraw/zinc/57/75/18/569577518.db2.gz RVOYFXXVDBWPBM-UHFFFAOYSA-N 0 0 430.508 3.562 50 0 IHAARN CCc1ccc(N2CCCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc(C)c2)c4=O)cc1 ZINC000010102071 569577802 /nfs/dbraw/zinc/57/78/02/569577802.db2.gz DKXMJUWUINMCJV-UHFFFAOYSA-N 0 0 443.551 3.748 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000010131952 569578054 /nfs/dbraw/zinc/57/80/54/569578054.db2.gz PMJBTTQGKPVSFG-UHFFFAOYSA-N 0 0 448.704 3.974 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c1 ZINC000010186692 569578420 /nfs/dbraw/zinc/57/84/20/569578420.db2.gz PDZJHHCPFVQMHO-UHFFFAOYSA-N 0 0 434.565 3.913 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187152 569578523 /nfs/dbraw/zinc/57/85/23/569578523.db2.gz OHFMJJYFLJYAKP-LLVKDONJSA-N 0 0 431.992 3.529 50 0 IHAARN CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1ccc(Cl)c(Cl)c1)nc2C(N)=O ZINC000010188012 569578727 /nfs/dbraw/zinc/57/87/27/569578727.db2.gz LSXJFSPIXOIRSB-UHFFFAOYSA-N 0 0 444.278 3.580 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000010187899 569578766 /nfs/dbraw/zinc/57/87/66/569578766.db2.gz BPRYDFWSCLMKAJ-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)c(Cl)cc12 ZINC000010214177 569579119 /nfs/dbraw/zinc/57/91/19/569579119.db2.gz UZECIBQCMRKBOO-CYBMUJFWSA-N 0 0 426.856 3.898 50 0 IHAARN Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)cs1 ZINC000010214827 569579158 /nfs/dbraw/zinc/57/91/58/569579158.db2.gz YWUBHNXDIVPSRB-UHFFFAOYSA-N 0 0 441.578 3.766 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000010239837 569579673 /nfs/dbraw/zinc/57/96/73/569579673.db2.gz UGQKBWLNPABROJ-JTQLQIEISA-N 0 0 427.787 3.897 50 0 IHAARN Cc1c(C)n(-c2ccc(C)cc2C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n12 ZINC000010271878 569580050 /nfs/dbraw/zinc/58/00/50/569580050.db2.gz JCCANOPTDSRTJE-UHFFFAOYSA-N 0 0 445.498 3.560 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000010284821 569580438 /nfs/dbraw/zinc/58/04/38/569580438.db2.gz MRVSHZLKHAOFRR-UHFFFAOYSA-N 0 0 442.280 3.687 50 0 IHAARN COc1ccc(C(=O)NCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1OC ZINC000010291961 569580530 /nfs/dbraw/zinc/58/05/30/569580530.db2.gz LZVIBIFFMKZANQ-NRFANRHFSA-N 0 0 428.485 3.540 50 0 IHAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)nc2)n1 ZINC000071768355 569580696 /nfs/dbraw/zinc/58/06/96/569580696.db2.gz UBMJXDKVDYIZBJ-UHFFFAOYSA-N 0 0 432.484 3.597 50 0 IHAARN Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c2)n1 ZINC000071768373 569580705 /nfs/dbraw/zinc/58/07/05/569580705.db2.gz XJOXINVRIVUWSP-UHFFFAOYSA-N 0 0 428.374 3.575 50 0 IHAARN COc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)c1 ZINC000071768679 569580772 /nfs/dbraw/zinc/58/07/72/569580772.db2.gz RAPDVLBHLOISDX-UHFFFAOYSA-N 0 0 432.484 3.688 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010337487 569581328 /nfs/dbraw/zinc/58/13/28/569581328.db2.gz XWIQFMZTGOKISE-UHFFFAOYSA-N 0 0 439.990 3.715 50 0 IHAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000010431721 569582087 /nfs/dbraw/zinc/58/20/87/569582087.db2.gz JMRLYCNVJWWUNK-QGZVFWFLSA-N 0 0 444.528 3.561 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2=O)c1 ZINC000010444781 569582223 /nfs/dbraw/zinc/58/22/23/569582223.db2.gz UGGPITQINXPKFM-SFHVURJKSA-N 0 0 437.565 3.639 50 0 IHAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 ZINC000072403872 569583746 /nfs/dbraw/zinc/58/37/46/569583746.db2.gz OTPDCZCMNAWRLB-KRWDZBQOSA-N 0 0 435.505 3.528 50 0 IHAARN O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000058307355 569583931 /nfs/dbraw/zinc/58/39/31/569583931.db2.gz JGXZXAIQQDGPDQ-UHFFFAOYSA-N 0 0 432.505 3.719 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)OC1CN(c2nc3c(cccc3Cl)s2)C1 ZINC000077101429 569585618 /nfs/dbraw/zinc/58/56/18/569585618.db2.gz AQCLZOKIRYDTOI-UHFFFAOYSA-N 0 0 436.942 3.546 50 0 IHAARN O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077197456 569586230 /nfs/dbraw/zinc/58/62/30/569586230.db2.gz PYVUJCDKONLVFV-QGZVFWFLSA-N 0 0 449.486 3.599 50 0 IHAARN COc1ccccc1-c1nc(Cn2cc(-c3nc(-c4cccs4)no3)ccc2=O)no1 ZINC000077199966 569586320 /nfs/dbraw/zinc/58/63/20/569586320.db2.gz YNGMAGBTKDBCIQ-UHFFFAOYSA-N 0 0 433.449 3.734 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000077200920 569586561 /nfs/dbraw/zinc/58/65/61/569586561.db2.gz GPQHBMRJECKKHJ-CMDGGOBGSA-N 0 0 436.487 3.501 50 0 IHAARN Cc1nc(Cl)sc1S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000078307589 569586603 /nfs/dbraw/zinc/58/66/03/569586603.db2.gz QBEYNKFXZANERS-UHFFFAOYSA-N 0 0 425.919 3.528 50 0 IHAARN O=C(CCC(=O)N1CCOc2cc(F)ccc21)c1ccc(I)cc1 ZINC000609822661 569587160 /nfs/dbraw/zinc/58/71/60/569587160.db2.gz RDZDANURYPMXIR-UHFFFAOYSA-N 0 0 439.224 3.819 50 0 IHAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CCO2 ZINC000055120130 569587207 /nfs/dbraw/zinc/58/72/07/569587207.db2.gz WDWFVBDXPUIVSF-XMMPIXPASA-N 0 0 426.520 3.938 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)c2nc3ccccc3[nH]2)cc1OC ZINC000033924705 569587459 /nfs/dbraw/zinc/58/74/59/569587459.db2.gz NUNRMEHAEVHLPY-UNOMPAQXSA-N 0 0 428.448 3.629 50 0 IHAARN Cc1sc(C2=C(N)N(Cc3ccccn3)CC2=O)nc1-c1ccc(Br)cc1 ZINC000034784667 569587637 /nfs/dbraw/zinc/58/76/37/569587637.db2.gz GEQVESBCNYRUAS-UHFFFAOYSA-N 0 0 441.354 3.988 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)C1CC1 ZINC000036117848 569587867 /nfs/dbraw/zinc/58/78/67/569587867.db2.gz AIDZOFYRJAXNFM-LJQANCHMSA-N 0 0 442.581 3.909 50 0 IHAARN COCCNC(=O)c1ccc(Cn2c(C)c(C)s/c2=N\C(=O)c2ccccc2Cl)o1 ZINC000037428252 569588070 /nfs/dbraw/zinc/58/80/70/569588070.db2.gz JUQBEKQOMQAJGI-FLFQWRMESA-N 0 0 447.944 3.578 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)NC2CCCCCC2)c1=O ZINC000006138549 193881523 /nfs/dbraw/zinc/88/15/23/193881523.db2.gz UWTQQGYFIQGGMK-UHFFFAOYSA-N 0 0 427.545 3.511 50 0 IHAARN CCCCOc1ccc(C(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833925 193900359 /nfs/dbraw/zinc/90/03/59/193900359.db2.gz KOOFHVFOSHDXFJ-SFHVURJKSA-N 0 0 445.537 3.840 50 0 IHAARN COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3cccnc3)n2)cc1 ZINC000009847044 193905398 /nfs/dbraw/zinc/90/53/98/193905398.db2.gz DLGMUORZVBAGAZ-UHFFFAOYSA-N 0 0 444.495 3.603 50 0 IHAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1cccc2nccnc21 ZINC000096232026 193939072 /nfs/dbraw/zinc/93/90/72/193939072.db2.gz GMTCGHXUWOSKQB-CYBMUJFWSA-N 0 0 442.397 3.762 50 0 IHAARN O=C(CSc1nc2ccccc2o1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009048182 132226664 /nfs/dbraw/zinc/22/66/64/132226664.db2.gz HCORFJYTFUWFBR-FQEVSTJZSA-N 0 0 437.521 3.727 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000000624260 132227723 /nfs/dbraw/zinc/22/77/23/132227723.db2.gz HPMDIEDDAPOEQN-UHFFFAOYSA-N 0 0 449.576 3.539 50 0 aggregator IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000000738400 132229999 /nfs/dbraw/zinc/22/99/99/132229999.db2.gz WGUAEYUFQLMYKF-UHFFFAOYSA-N 0 0 429.476 3.630 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000854573 132231720 /nfs/dbraw/zinc/23/17/20/132231720.db2.gz LKTMUQPSJMLHHP-UHFFFAOYSA-N 0 0 449.576 3.615 50 0 IHAARN O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000009391064 132233928 /nfs/dbraw/zinc/23/39/28/132233928.db2.gz QYIDLEDGOLZLCV-UHFFFAOYSA-N 0 0 430.580 3.852 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000936473 132234668 /nfs/dbraw/zinc/23/46/68/132234668.db2.gz KWPBTBGQAGEJHP-UHFFFAOYSA-N 0 0 434.867 3.878 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N1CCC3 ZINC000009708651 132236859 /nfs/dbraw/zinc/23/68/59/132236859.db2.gz LLYGJEDTOVJTHQ-UHFFFAOYSA-N 0 0 426.416 3.611 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1Br ZINC000001170603 132238254 /nfs/dbraw/zinc/23/82/54/132238254.db2.gz WLBMTWWPXONQFS-UHFFFAOYSA-N 0 0 446.345 3.769 50 0 IHAARN O=C(c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000002620820 132255280 /nfs/dbraw/zinc/25/52/80/132255280.db2.gz NBYNBFGLAFTBPG-VWLOTQADSA-N 0 0 425.532 3.603 50 0 IHAARN Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)c(C)c1 ZINC000002621864 132255293 /nfs/dbraw/zinc/25/52/93/132255293.db2.gz CBNCOWYBHUETGD-UHFFFAOYSA-N 0 0 425.539 3.976 50 0 IHAARN O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000002637348 132255645 /nfs/dbraw/zinc/25/56/45/132255645.db2.gz HKUYAPIKBDUXFW-UHFFFAOYSA-N 0 0 436.562 3.869 50 0 aggregator IHAARN COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000003028686 132260589 /nfs/dbraw/zinc/26/05/89/132260589.db2.gz PKOFUVOWMVAJQZ-HSZRJFAPSA-N 0 0 437.883 3.862 50 0 IHAARN O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(N2CCOCC2)cc1 ZINC000003296287 132263357 /nfs/dbraw/zinc/26/33/57/132263357.db2.gz ZDANHJKFDHACIJ-UHFFFAOYSA-N 0 0 433.508 3.679 50 0 IHAARN CCCOc1ccccc1N1C(=O)C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000003331364 132264141 /nfs/dbraw/zinc/26/41/41/132264141.db2.gz ZBNMDURHKOPPBE-FQEVSTJZSA-N 0 0 427.932 3.583 50 0 IHAARN CC(C)Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccccc1F ZINC000003358461 132264374 /nfs/dbraw/zinc/26/43/74/132264374.db2.gz JXJXWAQXLUELAD-UHFFFAOYSA-N 0 0 439.516 3.818 50 0 IHAARN COC(=O)Cc1csc(NC=C2C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)n1 ZINC000003416556 132265000 /nfs/dbraw/zinc/26/50/00/132265000.db2.gz BHQPIBFFWROIMR-XDHOZWIPSA-N 0 0 433.489 3.807 50 0 IHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000003441428 132265631 /nfs/dbraw/zinc/26/56/31/132265631.db2.gz MHSKTUJRCKHUMK-UHFFFAOYSA-N 0 0 436.324 3.892 50 0 IHAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2C1 ZINC000003536610 132265959 /nfs/dbraw/zinc/26/59/59/132265959.db2.gz KAVPQKCHIGOVLB-OAHLLOKOSA-N 0 0 429.476 3.502 50 0 IHAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2c(OC)cccc2OC)CC1 ZINC000004125339 132270534 /nfs/dbraw/zinc/27/05/34/132270534.db2.gz HPWKVUHODYZRLK-UHFFFAOYSA-N 0 0 431.920 3.668 50 0 IHAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004480123 132272136 /nfs/dbraw/zinc/27/21/36/132272136.db2.gz XERSMLXTTVYNDR-UHFFFAOYSA-N 0 0 425.492 3.743 50 0 IHAARN CC(C)(C)c1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000006696116 132278171 /nfs/dbraw/zinc/27/81/71/132278171.db2.gz HPTCXTYHNLIBQA-UHFFFAOYSA-N 0 0 426.586 3.795 50 0 IHAARN CCNC(=O)c1cccc(CSc2nc(N3CCN(C)CC3)cc(C(C)(C)C)n2)c1 ZINC000006695709 132278197 /nfs/dbraw/zinc/27/81/97/132278197.db2.gz JHUGSUHBGLJCHB-UHFFFAOYSA-N 0 0 427.618 3.568 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000006786908 132278963 /nfs/dbraw/zinc/27/89/63/132278963.db2.gz NQNMNPGIPSRQLN-UHFFFAOYSA-N 0 0 427.501 3.531 50 0 IHAARN CCCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc32)CC1 ZINC000006944914 132279970 /nfs/dbraw/zinc/27/99/70/132279970.db2.gz KDKNLVFFKSBGGD-UHFFFAOYSA-N 0 0 426.952 3.828 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)CC2)cc1 ZINC000008588546 132283252 /nfs/dbraw/zinc/28/32/52/132283252.db2.gz JJFAYMRJHIYWLJ-GOSISDBHSA-N 0 0 437.540 3.739 50 0 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O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1)c1ccccc1 ZINC000009355455 132314201 /nfs/dbraw/zinc/31/42/01/132314201.db2.gz QWRVZDNHVZFGQP-UHFFFAOYSA-N 0 0 447.510 3.856 50 0 IHAARN C[C@@H](CCc1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009429910 132316941 /nfs/dbraw/zinc/31/69/41/132316941.db2.gz KRCJJHLFCUIPFY-MYUZEXMDSA-N 0 0 441.531 3.918 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N3CCCc4ccccc43)cc2NC1=O ZINC000009430071 132316944 /nfs/dbraw/zinc/31/69/44/132316944.db2.gz UBXOAGHERXXITJ-IBGZPJMESA-N 0 0 444.578 3.653 50 0 IHAARN CC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000009440169 132317821 /nfs/dbraw/zinc/31/78/21/132317821.db2.gz AKKSCNHOUIVMFJ-UHFFFAOYSA-N 0 0 437.949 3.572 50 0 IHAARN CCN1C[C@@H](CN(C)C(=O)c2ccc(Cl)cc2N2CCCC2=O)Oc2ccccc21 ZINC000009470868 132318773 /nfs/dbraw/zinc/31/87/73/132318773.db2.gz BEIXRTIASVGAOC-QGZVFWFLSA-N 0 0 427.932 3.826 50 0 IHAARN CCOc1ccc(CCNC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1OCC ZINC000009471175 132318788 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132329210 /nfs/dbraw/zinc/32/92/10/132329210.db2.gz FHOVMDMHSSSOBR-UHFFFAOYSA-N 0 0 442.591 3.931 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c(C)c1 ZINC000010104956 132334748 /nfs/dbraw/zinc/33/47/48/132334748.db2.gz RJZBUQKQTMFQJX-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(Cl)c3)n(C)c2=O)c1 ZINC000010104832 132334750 /nfs/dbraw/zinc/33/47/50/132334750.db2.gz YYYGTEOGKUEFPR-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000010467303 132335771 /nfs/dbraw/zinc/33/57/71/132335771.db2.gz NGGDTRJDAJDCSI-IBGZPJMESA-N 0 0 432.553 3.683 50 0 IHAARN Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn2)cc1C ZINC000011695367 132338699 /nfs/dbraw/zinc/33/86/99/132338699.db2.gz RBMYRTNREIIHOZ-UHFFFAOYSA-N 0 0 444.507 3.550 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697560 132339132 /nfs/dbraw/zinc/33/91/32/132339132.db2.gz WLRNUJKTAGHGHI-UHFFFAOYSA-N 0 0 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442.541 3.712 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000035992726 521385756 /nfs/dbraw/zinc/38/57/56/521385756.db2.gz LGXRWDOYPZGFOU-UHFFFAOYSA-N 0 0 448.585 3.738 50 0 IHAARN CCN(c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1)C(C)C ZINC000012633713 521487938 /nfs/dbraw/zinc/48/79/38/521487938.db2.gz PIMMYJPZXGHIOW-UHFFFAOYSA-N 0 0 448.589 3.566 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000021028026 521495876 /nfs/dbraw/zinc/49/58/76/521495876.db2.gz YYHXMNYNNQHMQW-UHFFFAOYSA-N 0 0 432.476 3.811 50 0 IHAARN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532658 521526527 /nfs/dbraw/zinc/52/65/27/521526527.db2.gz FIDBAEKCVOZBFB-UHFFFAOYSA-N 0 0 441.553 3.705 50 0 IHAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000035908587 521539023 /nfs/dbraw/zinc/53/90/23/521539023.db2.gz SDAATZJTSZDIBE-UHFFFAOYSA-N 0 0 432.572 3.915 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)NCCc1nc2cccnc2n1-c1ccccc1 ZINC000033025494 521554817 /nfs/dbraw/zinc/55/48/17/521554817.db2.gz OIOODEIQMAVLHT-UHFFFAOYSA-N 0 0 429.480 3.961 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)c1N ZINC000021115242 521578587 /nfs/dbraw/zinc/57/85/87/521578587.db2.gz JNFRBZZZPVGWEG-UHFFFAOYSA-N 0 0 444.875 3.554 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)oc(=O)n4CC)cc2c1C ZINC000021156068 521607938 /nfs/dbraw/zinc/60/79/38/521607938.db2.gz BVJMQPUMBWBLIP-UHFFFAOYSA-N 0 0 444.465 3.647 50 0 IHAARN CCOc1ncccc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000012796647 521615465 /nfs/dbraw/zinc/61/54/65/521615465.db2.gz FXBRHGBRTKQKGF-AWEZNQCLSA-N 0 0 429.542 3.582 50 0 IHAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1C ZINC000012422685 521627300 /nfs/dbraw/zinc/62/73/00/521627300.db2.gz SGDAZIFTJCPYMN-UHFFFAOYSA-N 0 0 428.562 3.753 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C(=O)OC)c3ccccc3)nc21 ZINC000012411486 521637529 /nfs/dbraw/zinc/63/75/29/521637529.db2.gz FZKDBJZKCGIXKS-IBGZPJMESA-N 0 0 449.536 3.512 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(OC)cc3)cc(=O)n21 ZINC000021797405 521663546 /nfs/dbraw/zinc/66/35/46/521663546.db2.gz YUJPYZYSPOWOKV-UHFFFAOYSA-N 0 0 449.536 3.854 50 0 IHAARN CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012908953 521683756 /nfs/dbraw/zinc/68/37/56/521683756.db2.gz LZNSIMSGVGSXAM-BGYRXZFFSA-N 0 0 444.597 3.845 50 0 IHAARN CCC1(CC)C[C@@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 ZINC000014542354 521691325 /nfs/dbraw/zinc/69/13/25/521691325.db2.gz HFZXUAVRSXNENS-FCHUYYIVSA-N 0 0 427.589 3.797 50 0 IHAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000016475263 521694598 /nfs/dbraw/zinc/69/45/98/521694598.db2.gz FOJMJBGHXNOINM-UHFFFAOYSA-N 0 0 428.219 3.848 50 0 IHAARN CCCN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000012923181 521696486 /nfs/dbraw/zinc/69/64/86/521696486.db2.gz OWELHXXMUTUFOU-AWEZNQCLSA-N 0 0 438.933 3.555 50 0 IHAARN CCCN([C@H](C)C(=O)c1c(C)c(C(=O)OC)n(CC)c1C)S(=O)(=O)c1ccccc1 ZINC000036025797 521697455 /nfs/dbraw/zinc/69/74/55/521697455.db2.gz MTVLIAXIXAHDDN-QGZVFWFLSA-N 0 0 434.558 3.584 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000034927945 521703086 /nfs/dbraw/zinc/70/30/86/521703086.db2.gz CXIVQDZYGLVXLZ-BJKOFHAPSA-N 0 0 443.503 3.817 50 0 IHAARN CCOCCCN(C(=O)c1ccc(F)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004164 521704024 /nfs/dbraw/zinc/70/40/24/521704024.db2.gz CJZKVEFIBOXCAD-MRXNPFEDSA-N 0 0 432.492 3.697 50 0 IHAARN CCNC(=O)COc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000012931139 521738459 /nfs/dbraw/zinc/73/84/59/521738459.db2.gz BJFRNZDCMWEQBX-UHFFFAOYSA-N 0 0 442.566 3.906 50 0 IHAARN CCNC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)C[C@@H]1C ZINC000034707758 521739978 /nfs/dbraw/zinc/73/99/78/521739978.db2.gz QDDBGOVLKGQFMU-HNNXBMFYSA-N 0 0 449.946 3.838 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(C)c(C)c3c1=O)C[C@H](C)CC2 ZINC000022739181 521784083 /nfs/dbraw/zinc/78/40/83/521784083.db2.gz GGLKHMWENUVPEC-SNVBAGLBSA-N 0 0 445.566 3.686 50 0 IHAARN COCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020389735 521784220 /nfs/dbraw/zinc/78/42/20/521784220.db2.gz STRVTUWLRPMMCM-UHFFFAOYSA-N 0 0 446.598 3.666 50 0 IHAARN CCSc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1S(=O)(=O)c1ccccc1 ZINC000021910995 521789063 /nfs/dbraw/zinc/78/90/63/521789063.db2.gz NXCHVADKMMLINH-UHFFFAOYSA-N 0 0 444.582 3.666 50 0 IHAARN CCc1cccc2c([C@H](CC(=O)N3CCN(C(C)=O)CC3)c3ccc(OC)cc3)c[nH]c21 ZINC000035888865 521795640 /nfs/dbraw/zinc/79/56/40/521795640.db2.gz FVDAOHZONPXJSY-HSZRJFAPSA-N 0 0 433.552 3.952 50 0 IHAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4)CC3)c(C)o2)cc1 ZINC000021020328 521796619 /nfs/dbraw/zinc/79/66/19/521796619.db2.gz UPBCJLYFZQNMBQ-UHFFFAOYSA-N 0 0 447.539 3.668 50 0 IHAARN COC(=O)c1cc(-c2csc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)n2)c[nH]1 ZINC000012893134 521798127 /nfs/dbraw/zinc/79/81/27/521798127.db2.gz DLHDMPWYVBUELV-UHFFFAOYSA-N 0 0 429.546 3.965 50 0 IHAARN CCc1ccccc1NC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000021645404 521871510 /nfs/dbraw/zinc/87/15/10/521871510.db2.gz SANOALSGILKREI-UHFFFAOYSA-N 0 0 427.508 3.980 50 0 IHAARN CC[C@H](C)[C@@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036019808 521895316 /nfs/dbraw/zinc/89/53/16/521895316.db2.gz PUDVEDBQWXXNSW-JTSKRJEESA-N 0 0 441.522 3.944 50 0 IHAARN COc1cc(/C=C2\N=C3SCN(c4ccc(F)cc4)CN3C2=O)cc(OC)c1OC ZINC000012322600 521967165 /nfs/dbraw/zinc/96/71/65/521967165.db2.gz HDGSTCFQVKEUDO-PXNMLYILSA-N 0 0 429.473 3.559 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1c(Cl)cccc1Cl ZINC000012808529 521989375 /nfs/dbraw/zinc/98/93/75/521989375.db2.gz WSZRXSQDICEEEA-UHFFFAOYSA-N 0 0 443.352 3.602 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)N3CCCCC3)n2Cc2ccccc2)c1 ZINC000035561329 521993644 /nfs/dbraw/zinc/99/36/44/521993644.db2.gz LEZTUZCWYDZSIH-UHFFFAOYSA-N 0 0 425.554 3.566 50 0 IHAARN COC(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000012565003 522021236 /nfs/dbraw/zinc/02/12/36/522021236.db2.gz KFCKQGRVWCTEJX-UHFFFAOYSA-N 0 0 429.900 3.798 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000022421290 522043237 /nfs/dbraw/zinc/04/32/37/522043237.db2.gz SBKNQBVGMFPASY-RBUKOAKNSA-N 0 0 438.572 3.910 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1cccs1 ZINC000012406761 522058551 /nfs/dbraw/zinc/05/85/51/522058551.db2.gz CALDYLDLQGLHND-UHFFFAOYSA-N 0 0 448.566 3.907 50 0 IHAARN COCCn1c2ccc(Cl)cc2nc1Sc1ccc2nnc(C(F)(F)F)n2n1 ZINC000022006087 522073970 /nfs/dbraw/zinc/07/39/70/522073970.db2.gz SOXCXEZRXQOVFR-UHFFFAOYSA-N 0 0 428.827 3.944 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Cl)c1OC(C)C ZINC000012738740 522081714 /nfs/dbraw/zinc/08/17/14/522081714.db2.gz CEYVHMOOHQNINM-UHFFFAOYSA-N 0 0 446.931 3.823 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000023142867 522111959 /nfs/dbraw/zinc/11/19/59/522111959.db2.gz XGZCFNMPOMYJCQ-GOSISDBHSA-N 0 0 434.471 3.924 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000015882893 522122307 /nfs/dbraw/zinc/12/23/07/522122307.db2.gz WUVXOJFTAHQIRC-UHFFFAOYSA-N 0 0 441.281 3.698 50 0 IHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)no1 ZINC000035556927 522147366 /nfs/dbraw/zinc/14/73/66/522147366.db2.gz MPCXGISJHUHAIB-UHFFFAOYSA-N 0 0 446.960 3.772 50 0 IHAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc(Cl)c1OC ZINC000012756314 522163083 /nfs/dbraw/zinc/16/30/83/522163083.db2.gz HUDYHIZQZRBZLY-TXEJJXNPSA-N 0 0 425.938 3.675 50 0 IHAARN COc1cc(C(=O)OCCSc2nnc3sc4ccccc4n23)cc(OC)c1OC ZINC000012324533 522169716 /nfs/dbraw/zinc/16/97/16/522169716.db2.gz OHDKJMHHLRWBEL-UHFFFAOYSA-N 0 0 445.522 3.919 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000015239605 522176970 /nfs/dbraw/zinc/17/69/70/522176970.db2.gz RKNCZWDLBMJNIL-LJQANCHMSA-N 0 0 439.537 3.888 50 0 IHAARN COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000021572968 522179707 /nfs/dbraw/zinc/17/97/07/522179707.db2.gz QOOPQDORGLSQBC-GFCCVEGCSA-N 0 0 439.249 3.908 50 0 IHAARN COc1cc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)ccc1OC(F)F ZINC000012855474 522345697 /nfs/dbraw/zinc/34/56/97/522345697.db2.gz BXSGVWNVCHZFLL-UHFFFAOYSA-N 0 0 449.479 3.595 50 0 IHAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)c1N ZINC000021115581 522352995 /nfs/dbraw/zinc/35/29/95/522352995.db2.gz POWRJQYRWBNRBW-UHFFFAOYSA-N 0 0 429.274 3.564 50 0 IHAARN COc1cc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc(OC)c1OC ZINC000012418760 522436130 /nfs/dbraw/zinc/43/61/30/522436130.db2.gz ITUUBPXJFRWPNV-UHFFFAOYSA-N 0 0 437.374 3.711 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000035990248 522468156 /nfs/dbraw/zinc/46/81/56/522468156.db2.gz VXSHVGLMLUZVIM-UHFFFAOYSA-N 0 0 426.524 3.649 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990633 522469752 /nfs/dbraw/zinc/46/97/52/522469752.db2.gz JSPSWZHXMXZPMS-UHFFFAOYSA-N 0 0 446.942 3.994 50 0 IHAARN CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012824572 522487842 /nfs/dbraw/zinc/48/78/42/522487842.db2.gz PHSURXSMKRXMSG-UHFFFAOYSA-N 0 0 427.888 3.912 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CCC(=O)N2)ccc1F ZINC000012156361 522502984 /nfs/dbraw/zinc/50/29/84/522502984.db2.gz XYBUGXMRQPHXFY-DFBJGRDBSA-N 0 0 442.506 3.961 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000022616674 522517831 /nfs/dbraw/zinc/51/78/31/522517831.db2.gz DJDVLPXOHCKAMV-UHFFFAOYSA-N 0 0 434.901 3.981 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000012782386 522521592 /nfs/dbraw/zinc/52/15/92/522521592.db2.gz OVTVKDFVRAKIBI-UHFFFAOYSA-N 0 0 438.311 3.664 50 0 IHAARN COc1cc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc(OC)c1OC ZINC000021021433 522724418 /nfs/dbraw/zinc/72/44/18/522724418.db2.gz ZNNXTERPLALDMF-UHFFFAOYSA-N 0 0 434.448 3.921 50 0 IHAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)c2ccco2)c1 ZINC000035946314 522784720 /nfs/dbraw/zinc/78/47/20/522784720.db2.gz LMULDHSLPYVRRG-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000033310519 522846307 /nfs/dbraw/zinc/84/63/07/522846307.db2.gz ORAUCIXKVDBGES-HXUWFJFHSA-N 0 0 438.524 3.623 50 0 IHAARN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)Nc3c(C)cccc3C)C2)c1 ZINC000012386168 522851347 /nfs/dbraw/zinc/85/13/47/522851347.db2.gz URMYUHRJQSBKTB-SFHVURJKSA-N 0 0 425.529 3.995 50 0 IHAARN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)Nc3c(C)cccc3C)C2)c1 ZINC000012386169 522853433 /nfs/dbraw/zinc/85/34/33/522853433.db2.gz URMYUHRJQSBKTB-GOSISDBHSA-N 0 0 425.529 3.995 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)c2nccn2C)c1 ZINC000012550931 522874600 /nfs/dbraw/zinc/87/46/00/522874600.db2.gz KMELXHBRRMEQLK-HXUWFJFHSA-N 0 0 433.430 3.904 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000012864733 522876083 /nfs/dbraw/zinc/87/60/83/522876083.db2.gz MICDTNYKBXNWCV-CGSPVCNISA-N 0 0 439.552 3.983 50 0 biogenic IHAARN COC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000012811893 522912914 /nfs/dbraw/zinc/91/29/14/522912914.db2.gz DDMZQWNRQGWPHQ-UHFFFAOYSA-N 0 0 449.507 3.582 50 0 IHAARN COc1cc([C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044384 522926734 /nfs/dbraw/zinc/92/67/34/522926734.db2.gz PIWVBKURXVLLKL-PMACEKPBSA-N 0 0 446.588 3.607 50 0 IHAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1OCC(N)=O ZINC000012544027 522965731 /nfs/dbraw/zinc/96/57/31/522965731.db2.gz MPOZXTJNHVMQCO-DEOSSOPVSA-N 0 0 431.492 3.634 50 0 IHAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c13)CCC(C)(C)O2 ZINC000012900252 522994255 /nfs/dbraw/zinc/99/42/55/522994255.db2.gz ZORCYSSOIFKFQG-UHFFFAOYSA-N 0 0 431.529 3.687 50 0 biogenic IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)N(C(=O)Nc1ccccc1F)CC2 ZINC000036048378 523045314 /nfs/dbraw/zinc/04/53/14/523045314.db2.gz ZJWPXJXUJRWIMM-IBGZPJMESA-N 0 0 429.492 3.746 50 0 IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(C(=O)NC(C)(C)C)CC2 ZINC000036039292 523045648 /nfs/dbraw/zinc/04/56/48/523045648.db2.gz YWPTVMOAWIHEME-FQEVSTJZSA-N 0 0 439.556 3.850 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)no2)cc1 ZINC000020900576 523102163 /nfs/dbraw/zinc/10/21/63/523102163.db2.gz LTBACHCLMSLLSX-UHFFFAOYSA-N 0 0 447.447 3.821 50 0 IHAARN CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O ZINC000022696990 523139158 /nfs/dbraw/zinc/13/91/58/523139158.db2.gz IJOSRYPNQLHYJV-HSZRJFAPSA-N 0 0 438.959 3.842 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012190097 523154208 /nfs/dbraw/zinc/15/42/08/523154208.db2.gz LXZOSDZAHHXIIS-PXDATVDWSA-N 0 0 437.515 3.599 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)cc(F)c3)n2)cc1 ZINC000015670245 523157990 /nfs/dbraw/zinc/15/79/90/523157990.db2.gz TYEJYILJMLVXRI-SFHVURJKSA-N 0 0 448.433 3.794 50 0 IHAARN COc1ccc(-c2csc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)n2)cc1Cl ZINC000040131234 523167261 /nfs/dbraw/zinc/16/72/61/523167261.db2.gz KAVLNDDLNWDHPV-UHFFFAOYSA-N 0 0 428.905 3.708 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000012807609 523190492 /nfs/dbraw/zinc/19/04/92/523190492.db2.gz UNKOPNFFUOYNEQ-OAHLLOKOSA-N 0 0 433.553 3.767 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)cs2)cc1 ZINC000012391891 523197063 /nfs/dbraw/zinc/19/70/63/523197063.db2.gz ACUFTXRQEPLJEF-QGZVFWFLSA-N 0 0 433.537 3.810 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc(C)cc3)c(C)o2)cc1OC ZINC000015944368 523216521 /nfs/dbraw/zinc/21/65/21/523216521.db2.gz YZVTUGKNABSBGU-WJOKGBTCSA-N 0 0 442.537 3.541 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N3)cc1 ZINC000020732794 523235284 /nfs/dbraw/zinc/23/52/84/523235284.db2.gz FWFVPLYVSHHFRY-OAHLLOKOSA-N 0 0 432.267 3.783 50 0 IHAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCCCO[C@@H](C)c2ccccc2)cc1 ZINC000012753170 523258070 /nfs/dbraw/zinc/25/80/70/523258070.db2.gz HAABBILDFJZZFM-INIZCTEOSA-N 0 0 426.542 3.527 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C)no3)n2C[C@H]2CCCO2)cc1 ZINC000021906439 523264696 /nfs/dbraw/zinc/26/46/96/523264696.db2.gz XDYLONCCBVTRCS-RHSMWYFYSA-N 0 0 443.529 3.548 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)o2)c(OC)c1 ZINC000012856814 523265616 /nfs/dbraw/zinc/26/56/16/523265616.db2.gz YEMPLFIKKLNZGH-LBPRGKRZSA-N 0 0 442.497 3.832 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)cc4C)c3)n2)cc1 ZINC000033293138 523273652 /nfs/dbraw/zinc/27/36/52/523273652.db2.gz PAHWAKKMGNAMND-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC ZINC000012654674 523289675 /nfs/dbraw/zinc/28/96/75/523289675.db2.gz ODRCCJZOAOIKFO-CYBMUJFWSA-N 0 0 431.876 3.799 50 0 IHAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)n2c3ccccc3nc21 ZINC000023411202 523292636 /nfs/dbraw/zinc/29/26/36/523292636.db2.gz RDOQFBAOHQSROA-IBGZPJMESA-N 0 0 426.904 3.951 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)n2)cc1 ZINC000012745561 523296526 /nfs/dbraw/zinc/29/65/26/523296526.db2.gz DFGATBZMTOPSGQ-QGZVFWFLSA-N 0 0 437.481 3.679 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020581393 523306840 /nfs/dbraw/zinc/30/68/40/523306840.db2.gz CPRDSEGDPYAWDW-UHFFFAOYSA-N 0 0 445.516 3.617 50 0 IHAARN CN(Cc1ccccc1)C(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109434 523332555 /nfs/dbraw/zinc/33/25/55/523332555.db2.gz VOYBRQKADREYSF-HKBQPEDESA-N 0 0 432.549 3.570 50 0 IHAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3NCCNC(=O)C2CCCC2)cc1 ZINC000036006246 523345525 /nfs/dbraw/zinc/34/55/25/523345525.db2.gz HLBXSSVOVYWHIP-UHFFFAOYSA-N 0 0 434.544 3.728 50 0 IHAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000018592671 523389487 /nfs/dbraw/zinc/38/94/87/523389487.db2.gz SXDBYIYZWAXEBY-CYBMUJFWSA-N 0 0 445.928 3.651 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000012289984 523395297 /nfs/dbraw/zinc/39/52/97/523395297.db2.gz SXFGUCSRGRKPQZ-MXMZADCZSA-N 0 0 434.536 3.974 50 0 IHAARN COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 ZINC000022185243 523418329 /nfs/dbraw/zinc/41/83/29/523418329.db2.gz TZHVGXBYOKUJRA-VXNZKSKFSA-N 0 0 441.531 3.938 50 0 IHAARN COc1ccc(/C=C2\N=C(c3ccccc3I)OC2=O)c(OC)c1 ZINC000012619406 523419393 /nfs/dbraw/zinc/41/93/93/523419393.db2.gz PTRRIXHKWOYTPT-DHDCSXOGSA-N 0 0 435.217 3.653 50 0 IHAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccccc3OC)C2=O)cc1 ZINC000020736192 523424388 /nfs/dbraw/zinc/42/43/88/523424388.db2.gz YDBSACHLYLQLTC-IWIPYMOSSA-N 0 0 444.487 3.787 50 0 IHAARN CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(OC)cc2)n1 ZINC000020608147 523493906 /nfs/dbraw/zinc/49/39/06/523493906.db2.gz HUZNMIXHXIKFNN-UHFFFAOYSA-N 0 0 438.553 3.827 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)ccc21 ZINC000021646506 523495874 /nfs/dbraw/zinc/49/58/74/523495874.db2.gz SULMVMJCUPQQEE-OAQYLSRUSA-N 0 0 439.581 3.687 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccc(F)c4)C3)ccc21 ZINC000021646644 523496522 /nfs/dbraw/zinc/49/65/22/523496522.db2.gz WFDUDYSQIUDPKG-IBGZPJMESA-N 0 0 443.544 3.517 50 0 IHAARN CN(Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)Cc1nc2ccccc2o1 ZINC000020537628 523496903 /nfs/dbraw/zinc/49/69/03/523496903.db2.gz DITGSMPEEFSBDM-UHFFFAOYSA-N 0 0 438.553 3.693 50 0 IHAARN COc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000012299036 523632603 /nfs/dbraw/zinc/63/26/03/523632603.db2.gz GFBNZOSOSMWJNQ-INIZCTEOSA-N 0 0 426.498 3.749 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1)C(=O)C1CC1 ZINC000035948820 523652321 /nfs/dbraw/zinc/65/23/21/523652321.db2.gz LBZGKQJIYBPAKK-JOCHJYFZSA-N 0 0 441.478 3.528 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)NC(C)C ZINC000035948911 523652355 /nfs/dbraw/zinc/65/23/55/523652355.db2.gz SAGKUFINEWWIES-LJQANCHMSA-N 0 0 446.548 3.631 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)C1CCC1 ZINC000035948344 523652906 /nfs/dbraw/zinc/65/29/06/523652906.db2.gz MHICIFXLHGOVBX-HXUWFJFHSA-N 0 0 443.544 3.840 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(OC)c3)CC2)cc1 ZINC000035887628 523653097 /nfs/dbraw/zinc/65/30/97/523653097.db2.gz LXZISYGJJGDXMN-UHFFFAOYSA-N 0 0 446.551 3.664 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035948341 523654394 /nfs/dbraw/zinc/65/43/94/523654394.db2.gz CTHLKCNBTRLZAQ-IBGZPJMESA-N 0 0 431.533 3.696 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035946525 523655600 /nfs/dbraw/zinc/65/56/00/523655600.db2.gz WDOUBGDUZYZAGM-FQEVSTJZSA-N 0 0 425.554 3.619 50 0 IHAARN COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c(OC)c1OC ZINC000012129508 523711295 /nfs/dbraw/zinc/71/12/95/523711295.db2.gz JXADIAOFBUEMMW-GOSISDBHSA-N 0 0 449.507 3.520 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000024646360 523728144 /nfs/dbraw/zinc/72/81/44/523728144.db2.gz KGKPCJOUFWOERP-LJQANCHMSA-N 0 0 444.553 3.514 50 0 IHAARN CC[C@@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCCC1 ZINC000020325873 523729127 /nfs/dbraw/zinc/72/91/27/523729127.db2.gz MJTBJKUFKZPBMA-QHCPKHFHSA-N 0 0 439.585 3.918 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1OC ZINC000012507888 523750954 /nfs/dbraw/zinc/75/09/54/523750954.db2.gz DPKKVCUSGFCNCQ-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(Sc4nncn4C)o3)C2)cc1F ZINC000012430427 523776327 /nfs/dbraw/zinc/77/63/27/523776327.db2.gz BJGXEXCPENFNDD-OAHLLOKOSA-N 0 0 430.505 3.802 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012865432 523778047 /nfs/dbraw/zinc/77/80/47/523778047.db2.gz MGWUPHWQDCDWJT-FQEVSTJZSA-N 0 0 426.542 3.610 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563434 523784169 /nfs/dbraw/zinc/78/41/69/523784169.db2.gz BDXBGPKOGPYSFP-HXUWFJFHSA-N 0 0 433.487 3.606 50 0 IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(Br)c2)N1C(C)=O ZINC000012661807 523807219 /nfs/dbraw/zinc/80/72/19/523807219.db2.gz VXHCBMUTXVNYLG-ICSRJNTNSA-N 0 0 427.298 3.966 50 0 biogenic IHAARN CO[C@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccsc2)C1)c1ccccc1 ZINC000012185236 523824159 /nfs/dbraw/zinc/82/41/59/523824159.db2.gz WJXXZNGHLWSFPO-QFIPXVFZSA-N 0 0 435.549 3.654 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012750903 523825602 /nfs/dbraw/zinc/82/56/02/523825602.db2.gz KSWPVCMBIXZYKD-UHFFFAOYSA-N 0 0 444.915 3.691 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382440 523828613 /nfs/dbraw/zinc/82/86/13/523828613.db2.gz WMSRLGMIOFGFIX-OAQYLSRUSA-N 0 0 441.491 3.865 50 0 IHAARN CCc1cc2c(nc(SCc3noc(-c4ccco4)n3)n(CCCOC)c2=O)s1 ZINC000012873259 523846582 /nfs/dbraw/zinc/84/65/82/523846582.db2.gz GKLKIHNMDIEILK-UHFFFAOYSA-N 0 0 432.527 3.992 50 0 IHAARN CCc1ccc(-n2c3nc4c(c(=O)n(C)c(=O)n4C)n3c(C)c2-c2ccc(C)cc2)cc1 ZINC000012413453 523867303 /nfs/dbraw/zinc/86/73/03/523867303.db2.gz XTKIJGQDDVORHU-UHFFFAOYSA-N 0 0 427.508 3.522 50 0 IHAARN CCc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(SC)cc4)no2)c3=O)cc1 ZINC000033293101 523868696 /nfs/dbraw/zinc/86/86/96/523868696.db2.gz OEVDTSHTAUNHDW-UHFFFAOYSA-N 0 0 444.520 3.965 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@@H](c3ccco3)C2)cc1 ZINC000035948168 523875854 /nfs/dbraw/zinc/87/58/54/523875854.db2.gz DIGKXKGAWIEAGI-OAQYLSRUSA-N 0 0 435.455 3.877 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026586 523878787 /nfs/dbraw/zinc/87/87/87/523878787.db2.gz HSUDBJXFJIYAAW-GBXCKJPGSA-N 0 0 449.595 3.717 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000012406884 523893788 /nfs/dbraw/zinc/89/37/88/523893788.db2.gz UBQYFEJVMHKVGL-UZFJHSOTSA-N 0 0 447.535 3.806 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000022395575 523908848 /nfs/dbraw/zinc/90/88/48/523908848.db2.gz VLUDJWGTQCNPAL-UHFFFAOYSA-N 0 0 446.569 3.758 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2)C(=O)CO3)cc1 ZINC000035909322 523909646 /nfs/dbraw/zinc/90/96/46/523909646.db2.gz QEHPYAMDSKYPMP-UHFFFAOYSA-N 0 0 446.503 3.806 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1Br ZINC000012901721 523918531 /nfs/dbraw/zinc/91/85/31/523918531.db2.gz WTPRFBMCYMMVCK-UHFFFAOYSA-N 0 0 441.329 3.817 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 ZINC000012552365 523921928 /nfs/dbraw/zinc/92/19/28/523921928.db2.gz QKMUOFZMTXEMDS-UHFFFAOYSA-N 0 0 437.565 3.671 50 0 IHAARN COc1ccc(CCC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1Br ZINC000069484141 523925101 /nfs/dbraw/zinc/92/51/01/523925101.db2.gz YTPKNJJEBPLIBQ-LJQANCHMSA-N 0 0 429.318 3.723 50 0 IHAARN COCCNC(=O)c1cccc(CSc2nc(COC)cc(N3CCCC[C@H]3C)n2)c1 ZINC000036061617 523926924 /nfs/dbraw/zinc/92/69/24/523926924.db2.gz KYIMCZYJXGOABM-QGZVFWFLSA-N 0 0 444.601 3.670 50 0 IHAARN COc1ccc(CCN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC ZINC000015846552 523939215 /nfs/dbraw/zinc/93/92/15/523939215.db2.gz DBQWKJXADWSSKA-QHCPKHFHSA-N 0 0 446.547 3.746 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)cc1 ZINC000012429850 523951347 /nfs/dbraw/zinc/95/13/47/523951347.db2.gz PYUKJNYKXDNVIC-IBGZPJMESA-N 0 0 448.485 3.854 50 0 IHAARN CCc1ccc(N2C=C(C(=O)OC)C(c3ccc(OC)cc3OC)C(C(=O)OC)=C2)cc1 ZINC000001122694 523964166 /nfs/dbraw/zinc/96/41/66/523964166.db2.gz QYTYUJUTNQJRDH-UHFFFAOYSA-N 0 0 437.492 3.984 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc(NC)c(-c3nc(-c4ccccc4C)no3)c2N)cc1 ZINC000023125399 523977723 /nfs/dbraw/zinc/97/77/23/523977723.db2.gz WAJIMFDKOCSQGV-UHFFFAOYSA-N 0 0 431.500 3.734 50 0 IHAARN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cc(=O)oc4cc5c(cc34)CCC5)C2=O)cc1 ZINC000021719927 523983791 /nfs/dbraw/zinc/98/37/91/523983791.db2.gz WAXDLJYCORKNJE-SANMLTNESA-N 0 0 446.503 3.734 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2cccnc2)C(=O)c2ccc(F)cc2)c1C ZINC000036005086 524022919 /nfs/dbraw/zinc/02/29/19/524022919.db2.gz YMJQTCNRNKWOBU-MRXNPFEDSA-N 0 0 437.471 3.866 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000035976105 524023750 /nfs/dbraw/zinc/02/37/50/524023750.db2.gz YLKPSSGFSFHMFU-UHFFFAOYSA-N 0 0 440.931 3.677 50 0 IHAARN COc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1OC ZINC000035404408 524050232 /nfs/dbraw/zinc/05/02/32/524050232.db2.gz NYYBGMCAHLHMPZ-UHFFFAOYSA-N 0 0 446.551 3.603 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1cc(-c2ccccc2)c2c(cc(OC)cc2OC)n1 ZINC000012814270 524078251 /nfs/dbraw/zinc/07/82/51/524078251.db2.gz OVMNEWNLOPXMPB-ZDUSSCGKSA-N 0 0 425.510 3.855 50 0 IHAARN CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000012688192 524081445 /nfs/dbraw/zinc/08/14/45/524081445.db2.gz MMSTXABAMLUBHO-GOSISDBHSA-N 0 0 439.737 3.793 50 0 IHAARN COc1cccc([C@@H]2[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928095 524133431 /nfs/dbraw/zinc/13/34/31/524133431.db2.gz JURXNDJWBNKHTC-DNQXCXABSA-N 0 0 427.504 3.850 50 0 IHAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c1 ZINC000022068603 524144809 /nfs/dbraw/zinc/14/48/09/524144809.db2.gz UGVZNOPFYBLZNB-UHFFFAOYSA-N 0 0 437.493 3.908 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3ccc(Cl)cc3)CCC(=O)N2)c(F)c1 ZINC000014879225 524145279 /nfs/dbraw/zinc/14/52/79/524145279.db2.gz WFGRLJYPCYAXJF-HSZRJFAPSA-N 0 0 432.923 3.818 50 0 IHAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)Nc2cccc(C(F)(F)F)c2)c3=O)c1C ZINC000012237793 524149369 /nfs/dbraw/zinc/14/93/69/524149369.db2.gz HLYULRSXHNIRGK-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1 ZINC000035460034 524164473 /nfs/dbraw/zinc/16/44/73/524164473.db2.gz XNIMVQKEIAESJM-UHFFFAOYSA-N 0 0 431.496 3.698 50 0 IHAARN Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271953 524173874 /nfs/dbraw/zinc/17/38/74/524173874.db2.gz ROYBAKYOLRGNBV-UHFFFAOYSA-N 0 0 436.489 3.824 50 0 IHAARN COc1cccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000017197889 524187479 /nfs/dbraw/zinc/18/74/79/524187479.db2.gz SXTOFQVIWKMJNX-IQMFZBJNSA-N 0 0 439.537 3.669 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)c1 ZINC000034895975 524187694 /nfs/dbraw/zinc/18/76/94/524187694.db2.gz SXMQHUKRBHDZQT-UHFFFAOYSA-N 0 0 443.613 3.680 50 0 IHAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000033034484 524220321 /nfs/dbraw/zinc/22/03/21/524220321.db2.gz LBKUEWHDBBNVCJ-UHFFFAOYSA-N 0 0 432.524 3.751 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012783458 524247445 /nfs/dbraw/zinc/24/74/45/524247445.db2.gz ZTFRHLNKVFMZSM-INIZCTEOSA-N 0 0 444.373 3.805 50 0 IHAARN COc1ccc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2ccc(C)cc2C)cc1 ZINC000034693192 524264496 /nfs/dbraw/zinc/26/44/96/524264496.db2.gz JWROTUZEAQOKJD-UHFFFAOYSA-N 0 0 432.524 3.679 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1Cc1ccco1 ZINC000012888373 524288702 /nfs/dbraw/zinc/28/87/02/524288702.db2.gz RVYSCYWEGXOXER-MRXNPFEDSA-N 0 0 426.542 3.946 50 0 IHAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 ZINC000014669457 524305677 /nfs/dbraw/zinc/30/56/77/524305677.db2.gz GTQHGEZKZFIVCT-UHFFFAOYSA-N 0 0 443.352 3.883 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(C)c1 ZINC000012700686 524317954 /nfs/dbraw/zinc/31/79/54/524317954.db2.gz XXVXPNKFQXNWML-UHFFFAOYSA-N 0 0 437.565 3.549 50 0 IHAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446346 524343030 /nfs/dbraw/zinc/34/30/30/524343030.db2.gz VLEJJSNNTDBNKZ-UHFFFAOYSA-N 0 0 442.519 3.926 50 0 IHAARN COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2cccs2)cc1 ZINC000016695129 524358832 /nfs/dbraw/zinc/35/88/32/524358832.db2.gz VRFMGBNDMSUNRD-INIZCTEOSA-N 0 0 442.562 3.930 50 0 IHAARN Cc1cccc(CN2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2CCO)n1 ZINC000020999021 524400822 /nfs/dbraw/zinc/40/08/22/524400822.db2.gz FTMWPTZWOBXPEN-QFIPXVFZSA-N 0 0 425.964 3.502 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(CN3C[C@H](c4ccccc4)CC3=O)n2C)c1 ZINC000012445735 524420979 /nfs/dbraw/zinc/42/09/79/524420979.db2.gz JGSOEXPEKWNXQT-LJQANCHMSA-N 0 0 449.580 3.679 50 0 IHAARN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC000012785093 524436838 /nfs/dbraw/zinc/43/68/38/524436838.db2.gz MPYAYPWAUOIEDT-UHFFFAOYSA-N 0 0 438.505 3.763 50 0 IHAARN COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(OC)c(OC)c2)nn1 ZINC000012140455 524464882 /nfs/dbraw/zinc/46/48/82/524464882.db2.gz GCHUPSYXOVFLHY-UHFFFAOYSA-N 0 0 425.510 3.578 50 0 IHAARN COc1ccccc1CNC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088591 524484986 /nfs/dbraw/zinc/48/49/86/524484986.db2.gz SYWZAFLYETZBJV-UHFFFAOYSA-N 0 0 433.415 3.810 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000017011455 524510575 /nfs/dbraw/zinc/51/05/75/524510575.db2.gz GWYNMRQGSOCQPK-UHFFFAOYSA-N 0 0 430.913 3.590 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)c(OC)c1 ZINC000012382410 524513505 /nfs/dbraw/zinc/51/35/05/524513505.db2.gz FWZXUAGDUSKIOX-UHFFFAOYSA-N 0 0 427.530 3.744 50 0 IHAARN COc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)c(OC)c1 ZINC000035532774 524513726 /nfs/dbraw/zinc/51/37/26/524513726.db2.gz FVENUXCXDBJVHF-UHFFFAOYSA-N 0 0 445.570 3.825 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCCC[C@@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012642862 524526901 /nfs/dbraw/zinc/52/69/01/524526901.db2.gz RBUGVSWPSGPPPQ-INIZCTEOSA-N 0 0 436.961 3.945 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000022767947 524533131 /nfs/dbraw/zinc/53/31/31/524533131.db2.gz IKYNSYATYBPSCK-UHFFFAOYSA-N 0 0 449.898 3.760 50 0 IHAARN COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000035770419 524539528 /nfs/dbraw/zinc/53/95/28/524539528.db2.gz ZVPKAPDVKQJJJI-UHFFFAOYSA-N 0 0 430.482 3.861 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000017333525 524546516 /nfs/dbraw/zinc/54/65/16/524546516.db2.gz LONNZVMQJHOMLF-UHFFFAOYSA-N 0 0 445.519 3.566 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1C ZINC000035505073 524550784 /nfs/dbraw/zinc/55/07/84/524550784.db2.gz GGTIBBDZPKJSTK-IBGZPJMESA-N 0 0 435.597 3.873 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c(OC)c1 ZINC000035447751 524551090 /nfs/dbraw/zinc/55/10/90/524551090.db2.gz OYTODSVCHWFPNJ-UHFFFAOYSA-N 0 0 449.486 3.998 50 0 IHAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3ccccc3)ncn2)CC1 ZINC000049006759 524561227 /nfs/dbraw/zinc/56/12/27/524561227.db2.gz LTQACWJBNABTRK-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2n[nH]c3ccccc32)cc1 ZINC000020893727 524563319 /nfs/dbraw/zinc/56/33/19/524563319.db2.gz WPWPIUDRTLMTPO-UHFFFAOYSA-N 0 0 442.475 3.597 50 0 IHAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)cc2)C3)CC1 ZINC000021039750 524565366 /nfs/dbraw/zinc/56/53/66/524565366.db2.gz SYSBBMJTCMOGRJ-UHFFFAOYSA-N 0 0 429.568 3.679 50 0 IHAARN Cc1cc(C)nc(CNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)n1 ZINC000020855048 524576797 /nfs/dbraw/zinc/57/67/97/524576797.db2.gz NTOHTVOSYZEUPK-UHFFFAOYSA-N 0 0 427.508 3.983 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1Cl ZINC000012777335 524582641 /nfs/dbraw/zinc/58/26/41/524582641.db2.gz QRIQEKYDBZAODG-MRXNPFEDSA-N 0 0 431.968 3.720 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC ZINC000016406433 524584062 /nfs/dbraw/zinc/58/40/62/524584062.db2.gz XDSNENLHEZBCRK-CYBMUJFWSA-N 0 0 428.407 3.868 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(F)F)cc1 ZINC000012289288 524587782 /nfs/dbraw/zinc/58/77/82/524587782.db2.gz VOGOUAOYRZXLDN-SFHVURJKSA-N 0 0 427.411 3.816 50 0 IHAARN COc1ccccc1NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021392984 524593043 /nfs/dbraw/zinc/59/30/43/524593043.db2.gz QVTQBFRXSFDHNY-UHFFFAOYSA-N 0 0 442.869 3.913 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035808853 524601108 /nfs/dbraw/zinc/60/11/08/524601108.db2.gz FSXFFARJUOASMZ-TWWFPWMWSA-N 0 0 425.916 3.927 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c1 ZINC000033284559 524604748 /nfs/dbraw/zinc/60/47/48/524604748.db2.gz MIXMVNUDYCDARM-UHFFFAOYSA-N 0 0 431.521 3.699 50 0 IHAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CNC(=O)C(C)C ZINC000036048447 524612825 /nfs/dbraw/zinc/61/28/25/524612825.db2.gz RLYOTYFDDSVSGF-LJQANCHMSA-N 0 0 441.528 3.616 50 0 IHAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000044892050 524621346 /nfs/dbraw/zinc/62/13/46/524621346.db2.gz DFVZGFCPKJYCKX-XZOQPEGZSA-N 0 0 447.491 3.657 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1OC ZINC000012548437 524636517 /nfs/dbraw/zinc/63/65/17/524636517.db2.gz SNKQKVBHUBFJLS-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 ZINC000011913889 524655071 /nfs/dbraw/zinc/65/50/71/524655071.db2.gz GGKPEAJKKBQHIV-UHFFFAOYSA-N 0 0 435.864 3.504 50 0 IHAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OC(F)F ZINC000022753850 524664432 /nfs/dbraw/zinc/66/44/32/524664432.db2.gz UJTFZFWEXZURRD-UHFFFAOYSA-N 0 0 446.497 3.785 50 0 IHAARN CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)cc21 ZINC000009406969 534802610 /nfs/dbraw/zinc/80/26/10/534802610.db2.gz DUUUCBSYUDJYDP-UHFFFAOYSA-N 0 0 439.331 3.612 50 0 IHAARN Cc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1Cl ZINC000022915515 524703113 /nfs/dbraw/zinc/70/31/13/524703113.db2.gz XLODSOPYSIFTGO-UHFFFAOYSA-N 0 0 434.367 3.993 50 0 IHAARN Cc1cccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000035528395 524714316 /nfs/dbraw/zinc/71/43/16/524714316.db2.gz NTUQRPZWJHWBRZ-UHFFFAOYSA-N 0 0 430.430 3.685 50 0 IHAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527856 524745407 /nfs/dbraw/zinc/74/54/07/524745407.db2.gz SBDLJXDJFVYJSQ-QGZVFWFLSA-N 0 0 426.476 3.652 50 0 IHAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C(=O)NCc1cccnc1 ZINC000036055126 524758812 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Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCCCc3ccccc3)cc1CC2 ZINC000020510633 525573827 /nfs/dbraw/zinc/57/38/27/525573827.db2.gz DJTALEMTZSMWOC-UHFFFAOYSA-N 0 0 446.551 3.535 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1C ZINC000017053110 525574729 /nfs/dbraw/zinc/57/47/29/525574729.db2.gz VWNCZZQYIYDHGU-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000017051072 525630047 /nfs/dbraw/zinc/63/00/47/525630047.db2.gz LVRVVIVDRIQIJY-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000020614648 525630416 /nfs/dbraw/zinc/63/04/16/525630416.db2.gz QSRVDJKPXYTRMZ-HXUWFJFHSA-N 0 0 429.519 3.730 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccnc1)C3=O ZINC000021855927 525644932 /nfs/dbraw/zinc/64/49/32/525644932.db2.gz AASPSCUDFKLYAM-AREMUKBSSA-N 0 0 446.551 3.909 50 0 IHAARN Cc1c(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000012558150 525670613 /nfs/dbraw/zinc/67/06/13/525670613.db2.gz KTPFLEXXBRPHPS-LBPRGKRZSA-N 0 0 443.385 3.749 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)[C@H](C)Oc4cccc(C)c4)c3)cc(=O)n2o1 ZINC000035378588 525674254 /nfs/dbraw/zinc/67/42/54/525674254.db2.gz FNVLPLLANTUIHB-KRWDZBQOSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCc3ccc(OC(C)C)cc3)c(=O)c12 ZINC000020947175 525679514 /nfs/dbraw/zinc/67/95/14/525679514.db2.gz GUKZJAIJCBUXBR-UHFFFAOYSA-N 0 0 444.535 3.908 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)NCCc3ccc(OC(F)F)c(OC)c3)nc2c1 ZINC000012604431 525680523 /nfs/dbraw/zinc/68/05/23/525680523.db2.gz AKBRPUQVXRSHOP-UHFFFAOYSA-N 0 0 437.468 3.633 50 0 IHAARN Cc1cc2oc(=O)cc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)c2cc1C ZINC000012554197 525690400 /nfs/dbraw/zinc/69/04/00/525690400.db2.gz HWWOYOZQFWFDEW-UHFFFAOYSA-N 0 0 430.551 3.882 50 0 IHAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2cc1C ZINC000021849531 525690895 /nfs/dbraw/zinc/69/08/95/525690895.db2.gz IECIQQUCECQZLT-MDWZMJQESA-N 0 0 438.549 3.528 50 0 aggregator IHAARN Cc1cc2oc(=O)cc(COC(=O)CCn3cnc4sccc4c3=O)c2cc1Cl ZINC000012874504 525691013 /nfs/dbraw/zinc/69/10/13/525691013.db2.gz CWXUIJVEJNVQTI-UHFFFAOYSA-N 0 0 430.869 3.660 50 0 IHAARN COc1cccc(-c2cc(C(=O)NCCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616590 525701606 /nfs/dbraw/zinc/70/16/06/525701606.db2.gz JGQAHUWZLOPWGE-UHFFFAOYSA-N 0 0 432.528 3.586 50 0 IHAARN Cc1c(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)cnn1C ZINC000012332525 525703070 /nfs/dbraw/zinc/70/30/70/525703070.db2.gz MAUCBXLCCSGRQX-NRFANRHFSA-N 0 0 440.617 3.732 50 0 IHAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C3CC3)n2)c1 ZINC000012243699 525715866 /nfs/dbraw/zinc/71/58/66/525715866.db2.gz JCWULCYYPMUCKQ-UHFFFAOYSA-N 0 0 440.507 3.583 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)CC(C)C)no2)cc1 ZINC000036002316 525715956 /nfs/dbraw/zinc/71/59/56/525715956.db2.gz ZPKMBLPBGZSYCU-UHFFFAOYSA-N 0 0 434.540 3.892 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325536 525724733 /nfs/dbraw/zinc/72/47/33/525724733.db2.gz JZDGXUUHXBUQBL-IBGZPJMESA-N 0 0 443.956 3.802 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2c(c(COCc3ccccc3)nn2C)C1 ZINC000033282751 525786042 /nfs/dbraw/zinc/78/60/42/525786042.db2.gz YDPLYJMUUWBBPO-UHFFFAOYSA-N 0 0 445.972 3.846 50 0 IHAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021856880 525790705 /nfs/dbraw/zinc/79/07/05/525790705.db2.gz VJRSVDNPEWQVBV-SANMLTNESA-N 0 0 445.519 3.844 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(C)c3)CC2)c1 ZINC000035887789 525803931 /nfs/dbraw/zinc/80/39/31/525803931.db2.gz UGKJJABKZUOCSI-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Cl)cc4)n3n2)cc1 ZINC000020614907 525827807 /nfs/dbraw/zinc/82/78/07/525827807.db2.gz FYLOZVOQQVKFBW-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN COc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)c1 ZINC000021633472 525833184 /nfs/dbraw/zinc/83/31/84/525833184.db2.gz AEDYUUPYEFZIOV-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(C)c(F)c2)on1)[C@H]1CCS(=O)(=O)C1 ZINC000021787877 525834136 /nfs/dbraw/zinc/83/41/36/525834136.db2.gz CBCLGVAXBYWUAE-INIZCTEOSA-N 0 0 448.541 3.989 50 0 IHAARN Cc1ccc(-c2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccc(C)cc2)cc1 ZINC000012594575 525842100 /nfs/dbraw/zinc/84/21/00/525842100.db2.gz NQKAIJHBUKWPKR-HXUWFJFHSA-N 0 0 442.610 3.764 50 0 IHAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)CO3)c1 ZINC000035909464 525875487 /nfs/dbraw/zinc/87/54/87/525875487.db2.gz OHLANDVZGHAGAS-UHFFFAOYSA-N 0 0 448.494 3.979 50 0 IHAARN COc1cccc(CC2=NO[C@H](C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)C2)c1 ZINC000012099337 525876386 /nfs/dbraw/zinc/87/63/86/525876386.db2.gz HKOAFLWBDPITQA-JPYJTQIMSA-N 0 0 426.488 3.839 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000012568861 525894668 /nfs/dbraw/zinc/89/46/68/525894668.db2.gz CLMHNRVXOJNOSZ-VWLOTQADSA-N 0 0 443.459 3.635 50 0 IHAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2nn(C)c(=O)c3ccccc32)cc1C ZINC000012746519 525931909 /nfs/dbraw/zinc/93/19/09/525931909.db2.gz SLPFVZWWUUAZLM-OAQYLSRUSA-N 0 0 427.508 3.543 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)N2CCOCC2)nnc3C(C)C)cc1C ZINC000023137811 525934993 /nfs/dbraw/zinc/93/49/93/525934993.db2.gz WNIJNLFTRIVVBM-UHFFFAOYSA-N 0 0 425.558 3.507 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)c1 ZINC000015864362 525964055 /nfs/dbraw/zinc/96/40/55/525964055.db2.gz RFUHZVCYQIOCRG-UHFFFAOYSA-N 0 0 429.520 3.926 50 0 IHAARN Cc1c2ccccc2[nH]c1C(=O)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000035562237 525973889 /nfs/dbraw/zinc/97/38/89/525973889.db2.gz GUNAATVPUCGHBS-UHFFFAOYSA-N 0 0 426.314 3.837 50 0 IHAARN Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)c2cnn(-c4ccccc4)c2)C3)n1 ZINC000012077955 525984367 /nfs/dbraw/zinc/98/43/67/525984367.db2.gz VDPHEKZAQNZKSD-OAQYLSRUSA-N 0 0 425.492 3.680 50 0 IHAARN CSc1ccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000022442259 525988042 /nfs/dbraw/zinc/98/80/42/525988042.db2.gz CUARZIWSTXZWIG-QGZVFWFLSA-N 0 0 436.375 3.929 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417483 525995293 /nfs/dbraw/zinc/99/52/93/525995293.db2.gz WHUWXHLSXCZQOZ-INIZCTEOSA-N 0 0 432.499 3.880 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000012512405 526013517 /nfs/dbraw/zinc/01/35/17/526013517.db2.gz KKKCJSIQZGOHHW-RDJZCZTQSA-N 0 0 428.583 3.695 50 0 IHAARN C[C@@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NC[C@@H]1CCCO1 ZINC000021727008 526015308 /nfs/dbraw/zinc/01/53/08/526015308.db2.gz ANMOACWKOCKPHO-WBVHZDCISA-N 0 0 433.537 3.720 50 0 IHAARN CSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012911339 526024026 /nfs/dbraw/zinc/02/40/26/526024026.db2.gz HZQDXISEDZYEMC-UHFFFAOYSA-N 0 0 430.595 3.937 50 0 IHAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3C[C@@H]2CCCO2)c1 ZINC000035528260 526070527 /nfs/dbraw/zinc/07/05/27/526070527.db2.gz OZRSTDLTKXYWPJ-HNNXBMFYSA-N 0 0 428.539 3.586 50 0 IHAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000012919613 526100223 /nfs/dbraw/zinc/10/02/23/526100223.db2.gz PFGIPDIFLFBUNW-HIFRSBDPSA-N 0 0 434.323 3.658 50 0 IHAARN Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)oc2c1 ZINC000002653268 526132191 /nfs/dbraw/zinc/13/21/91/526132191.db2.gz GCXZTMDAAHTFGW-UHFFFAOYSA-N 0 0 441.505 3.633 50 0 IHAARN Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035558979 526142607 /nfs/dbraw/zinc/14/26/07/526142607.db2.gz LYUSDPIOMXVPMT-UHFFFAOYSA-N 0 0 425.960 3.930 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012907364 526168576 /nfs/dbraw/zinc/16/85/76/526168576.db2.gz FAWUMEXEQNYXEC-UHFFFAOYSA-N 0 0 444.333 3.794 50 0 IHAARN CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000012908941 526175013 /nfs/dbraw/zinc/17/50/13/526175013.db2.gz WMVKWXJUXYHQAD-YEJXKQKISA-N 0 0 428.535 3.908 50 0 IHAARN Cc1ccc(C(=O)NC[C@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)s1 ZINC000012164245 526182861 /nfs/dbraw/zinc/18/28/61/526182861.db2.gz FCVCBKWZWGSVOJ-GOSISDBHSA-N 0 0 427.547 3.861 50 0 IHAARN COc1cccc(NC(=O)N(Cc2ccco2)Cc2cccc(OS(C)(=O)=O)c2)c1 ZINC000035769611 526185715 /nfs/dbraw/zinc/18/57/15/526185715.db2.gz NKBDDQRXVHLKSA-UHFFFAOYSA-N 0 0 430.482 3.861 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc(Br)cc3)ccc2S1 ZINC000015730978 526217456 /nfs/dbraw/zinc/21/74/56/526217456.db2.gz JWBCBEZHYWKJQK-LLVKDONJSA-N 0 0 441.372 3.750 50 0 IHAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1 ZINC000022604706 526242144 /nfs/dbraw/zinc/24/21/44/526242144.db2.gz HDZIMQYRDSSZSI-NRFANRHFSA-N 0 0 443.547 3.921 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)c2ccc(F)cc2n1 ZINC000012714066 526246305 /nfs/dbraw/zinc/24/63/05/526246305.db2.gz NXOGTBCMENIEPC-HNNXBMFYSA-N 0 0 447.557 3.575 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)cc(=O)n2c1 ZINC000041086274 526251425 /nfs/dbraw/zinc/25/14/25/526251425.db2.gz FDDSJBFBBZYTQT-UHFFFAOYSA-N 0 0 442.501 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O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000012595473 526454771 /nfs/dbraw/zinc/45/47/71/526454771.db2.gz VVZQZLGTPPELLW-UHFFFAOYSA-N 0 0 448.567 3.803 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1cc2ccccc2oc1=O ZINC000017201109 526455608 /nfs/dbraw/zinc/45/56/08/526455608.db2.gz WMLGVBYVFHQUAF-UHFFFAOYSA-N 0 0 434.452 3.676 50 0 IHAARN Cc1csc2nc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cn3)cc(=O)n12 ZINC000023613972 526456252 /nfs/dbraw/zinc/45/62/52/526456252.db2.gz NPUPXEUVWGDZFE-UHFFFAOYSA-N 0 0 447.545 3.759 50 0 IHAARN O=C(NCCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1F)c1cccs1 ZINC000012246878 526463413 /nfs/dbraw/zinc/46/34/13/526463413.db2.gz WVWVMAKOQVIRKE-CQSZACIVSA-N 0 0 432.546 3.712 50 0 IHAARN O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1ccc(F)cc1 ZINC000012243003 526463472 /nfs/dbraw/zinc/46/34/72/526463472.db2.gz TWEBLEIDMIIDSM-KRWDZBQOSA-N 0 0 444.507 3.789 50 0 IHAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000033072790 526466674 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/nfs/dbraw/zinc/08/60/64/527086064.db2.gz KVHSVRRWYWNXFI-HNNXBMFYSA-N 0 0 432.596 3.986 50 0 IHAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1cccc2ccccc21 ZINC000015881764 527087204 /nfs/dbraw/zinc/08/72/04/527087204.db2.gz ZFWIJRAGJLVINK-UHFFFAOYSA-N 0 0 427.489 3.969 50 0 IHAARN O=C(CSc1nnc2ccc(C(=O)NCc3ccccc3)cn21)Nc1ccccc1F ZINC000033284487 527090292 /nfs/dbraw/zinc/09/02/92/527090292.db2.gz IMRHHQHFTUDPIQ-UHFFFAOYSA-N 0 0 435.484 3.529 50 0 IHAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1 ZINC000020942300 527094715 /nfs/dbraw/zinc/09/47/15/527094715.db2.gz OEUQKILKPCRGAN-UHFFFAOYSA-N 0 0 449.488 3.938 50 0 IHAARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 ZINC000020936063 527097976 /nfs/dbraw/zinc/09/79/76/527097976.db2.gz GQFMKRJECCRFQP-FQEVSTJZSA-N 0 0 432.549 3.579 50 0 IHAARN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)NCCN1CCN(c2ccccc2F)CC1 ZINC000020998276 527098845 /nfs/dbraw/zinc/09/88/45/527098845.db2.gz YAIDOBYPYPETLS-DEOSSOPVSA-N 0 0 438.522 3.684 50 0 IHAARN Cc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000036002111 527099572 /nfs/dbraw/zinc/09/95/72/527099572.db2.gz BFBGARKUKKZJAX-UHFFFAOYSA-N 0 0 438.944 3.801 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1)C1CCCC1 ZINC000012549812 527130754 /nfs/dbraw/zinc/13/07/54/527130754.db2.gz ZLSFJFUDPKFBON-UHFFFAOYSA-N 0 0 448.516 3.768 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000022197773 527156953 /nfs/dbraw/zinc/15/69/53/527156953.db2.gz UULKPNIXRBDAAG-UHFFFAOYSA-N 0 0 435.487 3.810 50 0 IHAARN Cn1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)cn1 ZINC000020900733 527173400 /nfs/dbraw/zinc/17/34/00/527173400.db2.gz QJPFEHKPVLOPSI-UHFFFAOYSA-N 0 0 438.481 3.788 50 0 IHAARN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCn1cnc2ccccc21 ZINC000012548265 527188065 /nfs/dbraw/zinc/18/80/65/527188065.db2.gz ZCXXRDKWLXAONT-FQEVSTJZSA-N 0 0 448.470 3.993 50 0 IHAARN O=C(C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCCCc1ccccc1 ZINC000021109736 527190735 /nfs/dbraw/zinc/19/07/35/527190735.db2.gz XKEVRUDKRBDUIU-JGCGQSQUSA-N 0 0 446.576 3.661 50 0 IHAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1Cc1ccccc1 ZINC000023460674 527204177 /nfs/dbraw/zinc/20/41/77/527204177.db2.gz PUEPTDRWEBTERB-UHFFFAOYSA-N 0 0 446.942 3.639 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cn(Cc2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000042380731 527240213 /nfs/dbraw/zinc/24/02/13/527240213.db2.gz PFCKMEXAOGXHAJ-UHFFFAOYSA-N 0 0 428.370 3.875 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012791259 527272112 /nfs/dbraw/zinc/27/21/12/527272112.db2.gz QTWKDJPCHHWXQX-UHFFFAOYSA-N 0 0 435.908 3.641 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000022605852 527273526 /nfs/dbraw/zinc/27/35/26/527273526.db2.gz NGNMNEDEFPGCLW-UHFFFAOYSA-N 0 0 429.976 3.625 50 0 IHAARN O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCc2ccccc2C1 ZINC000017095511 527278048 /nfs/dbraw/zinc/27/80/48/527278048.db2.gz BTEPXTFJHIZHKD-UHFFFAOYSA-N 0 0 427.551 3.513 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)nc1 ZINC000034680874 527283697 /nfs/dbraw/zinc/28/36/97/527283697.db2.gz RQBOHNRNNFSUJD-UHFFFAOYSA-N 0 0 432.499 3.754 50 0 IHAARN NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1 ZINC000021143226 527309487 /nfs/dbraw/zinc/30/94/87/527309487.db2.gz KRCKZOAAAHLREZ-UHFFFAOYSA-N 0 0 442.447 3.998 50 0 IHAARN O=S1(=O)C[C@@H]2N=C(N(Cc3ccc(F)cc3Cl)c3ccc(F)cc3)S[C@@H]2C1 ZINC000021523083 527314554 /nfs/dbraw/zinc/31/45/54/527314554.db2.gz GYKYOTUXBWRJMC-DLBZAZTESA-N 0 0 428.913 3.893 50 0 IHAARN Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1F)CCN(C(=O)c1cncs1)C2 ZINC000011965762 527316525 /nfs/dbraw/zinc/31/65/25/527316525.db2.gz LBOTUSOFJUKQSR-VOTSOKGWSA-N 0 0 436.512 3.514 50 0 IHAARN O=C(Nc1cccc(-n2cnnn2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000022276803 527323648 /nfs/dbraw/zinc/32/36/48/527323648.db2.gz VZAZQZHLQRETGL-UHFFFAOYSA-N 0 0 433.781 3.773 50 0 IHAARN O=C(Cc1cn2ccsc2n1)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000020775587 527323690 /nfs/dbraw/zinc/32/36/90/527323690.db2.gz SVFQMTNGZQTRFY-FQEVSTJZSA-N 0 0 438.578 3.752 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)s1 ZINC000033113454 527344587 /nfs/dbraw/zinc/34/45/87/527344587.db2.gz IQSCRECGDXXTHI-XJKSGUPXSA-N 0 0 449.964 3.512 50 0 IHAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012759962 527345963 /nfs/dbraw/zinc/34/59/63/527345963.db2.gz NDYGTLQFZIINDT-ZDUSSCGKSA-N 0 0 429.325 3.703 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cc(F)ccc1F ZINC000012360171 527350897 /nfs/dbraw/zinc/35/08/97/527350897.db2.gz IOBPJWALRGDPSM-UHFFFAOYSA-N 0 0 425.435 3.545 50 0 biogenic,in-vitro IHAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1F ZINC000012376471 527350995 /nfs/dbraw/zinc/35/09/95/527350995.db2.gz CDINOOVBJPABFL-UHFFFAOYSA-N 0 0 429.451 3.709 50 0 biogenic,in-vitro IHAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)NC1CCCCC1 ZINC000035399768 527358999 /nfs/dbraw/zinc/35/89/99/527358999.db2.gz NCDIQHIKHDFIJZ-UHFFFAOYSA-N 0 0 432.499 3.988 50 0 IHAARN O=C(Nc1ccccc1)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000035527415 527392543 /nfs/dbraw/zinc/39/25/43/527392543.db2.gz FDNPCBMHCOLZQL-UHFFFAOYSA-N 0 0 430.487 3.909 50 0 IHAARN O=C(Cn1cnc2onc(-c3ccccc3F)c2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000021649934 527406530 /nfs/dbraw/zinc/40/65/30/527406530.db2.gz FUEIYGSNDGSEHF-UHFFFAOYSA-N 0 0 432.333 3.848 50 0 IHAARN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000021155903 527407974 /nfs/dbraw/zinc/40/79/74/527407974.db2.gz YWJAODJAINDHBV-QFIPXVFZSA-N 0 0 436.943 3.533 50 0 IHAARN O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)Nc1ccc2c(c1)OCCCO2 ZINC000012880733 527413814 /nfs/dbraw/zinc/41/38/14/527413814.db2.gz OAZKQZGQPDANAW-UHFFFAOYSA-N 0 0 445.397 3.729 50 0 IHAARN O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012515674 527441173 /nfs/dbraw/zinc/44/11/73/527441173.db2.gz TUKGBQZBZJEPAJ-UHFFFAOYSA-N 0 0 447.866 3.793 50 0 IHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012752536 527451114 /nfs/dbraw/zinc/45/11/14/527451114.db2.gz CYJZALPGMROZAR-UHFFFAOYSA-N 0 0 444.875 3.830 50 0 IHAARN O=c1c2c3c(sc2nc(NCCCN2CCOCC2)n1Cc1ccco1)CCCCC3 ZINC000020519388 527458598 /nfs/dbraw/zinc/45/85/98/527458598.db2.gz MYTSIIMOVXCHTO-UHFFFAOYSA-N 0 0 442.585 3.502 50 0 IHAARN O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1CCc1ccccc1)CCC3 ZINC000012787645 527459043 /nfs/dbraw/zinc/45/90/43/527459043.db2.gz AEZSHRIANABDKE-UHFFFAOYSA-N 0 0 441.622 3.614 50 0 IHAARN O=C(Nc1ccnn1C1CCCC1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012597934 527459438 /nfs/dbraw/zinc/45/94/38/527459438.db2.gz DKEGOVKPGIJMAC-UHFFFAOYSA-N 0 0 427.530 3.732 50 0 IHAARN O=c1ccc2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)ccc2o1 ZINC000001070121 527488579 /nfs/dbraw/zinc/48/85/79/527488579.db2.gz VDSOFKKUZRZHSS-UHFFFAOYSA-N 0 0 439.320 3.611 50 0 aggregator IHAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012829550 527511307 /nfs/dbraw/zinc/51/13/07/527511307.db2.gz ZMVNCSQKUDGOBI-UHFFFAOYSA-N 0 0 431.539 3.736 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)Nc1c(C)cccc1C)c(=O)n2C ZINC000021040285 527522519 /nfs/dbraw/zinc/52/25/19/527522519.db2.gz XIPBMCUVFNMEJM-UHFFFAOYSA-N 0 0 429.524 3.924 50 0 IHAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000040131817 527531092 /nfs/dbraw/zinc/53/10/92/527531092.db2.gz KJFLQMFKWOCUAK-CYBMUJFWSA-N 0 0 426.423 3.668 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(C)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000036002845 527534779 /nfs/dbraw/zinc/53/47/79/527534779.db2.gz HHBJSXOHBOWHHO-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000020226824 527536205 /nfs/dbraw/zinc/53/62/05/527536205.db2.gz URJUJTAGGQBDOF-GOSISDBHSA-N 0 0 426.567 3.842 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cn1c2ccccc2oc1=S ZINC000012522773 527546410 /nfs/dbraw/zinc/54/64/10/527546410.db2.gz XNHCRERRAGUUTF-NRFANRHFSA-N 0 0 433.537 3.897 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)C4CCC4)CC3)c12 ZINC000036000402 527565731 /nfs/dbraw/zinc/56/57/31/527565731.db2.gz WSSBKSYHSMYLAX-UHFFFAOYSA-N 0 0 438.963 3.925 50 0 IHAARN Cn1ncc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C(F)F ZINC000089741039 527573136 /nfs/dbraw/zinc/57/31/36/527573136.db2.gz LWPVMHOFXCUJSS-QGZVFWFLSA-N 0 0 428.439 3.834 50 0 IHAARN O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccccn2)CC1 ZINC000012559234 527618004 /nfs/dbraw/zinc/61/80/04/527618004.db2.gz LEQYHTVQVDKXBR-FMIVXFBMSA-N 0 0 439.519 3.670 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000020945769 527655360 /nfs/dbraw/zinc/65/53/60/527655360.db2.gz RQXYRCKZDGLBKN-UHFFFAOYSA-N 0 0 446.960 3.833 50 0 IHAARN O=C(/C=C\c1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccc(F)cc1)CSC2 ZINC000035127771 527657691 /nfs/dbraw/zinc/65/76/91/527657691.db2.gz XFZUCLOWTXZYPP-FLIBITNWSA-N 0 0 436.512 3.737 50 0 IHAARN O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033269498 527672001 /nfs/dbraw/zinc/67/20/01/527672001.db2.gz KMOPMDYFKXPSDY-UHFFFAOYSA-N 0 0 441.535 3.744 50 0 IHAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c12 ZINC000012791528 527683663 /nfs/dbraw/zinc/68/36/63/527683663.db2.gz ODGUVAXRZGGQPC-KBPBESRZSA-N 0 0 442.589 3.718 50 0 IHAARN Cc1nn(C)c2sc(C(=O)NCCN3C(=O)S/C(=C\c4ccccc4F)C3=O)cc12 ZINC000012861259 527687983 /nfs/dbraw/zinc/68/79/83/527687983.db2.gz QEAGJYYLOZOKAH-SXGWCWSVSA-N 0 0 444.513 3.549 50 0 IHAARN CCCCC(=O)Nc1cc(C(=O)OCC)ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000009907934 534954560 /nfs/dbraw/zinc/95/45/60/534954560.db2.gz PUERHDRBKIGXHF-UHFFFAOYSA-N 0 0 437.540 3.954 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)N[C@H](C)CCc1ccccc1 ZINC000009530298 535003326 /nfs/dbraw/zinc/00/33/26/535003326.db2.gz FUVMAMCPDQXGIU-QGZVFWFLSA-N 0 0 445.610 3.832 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000009530292 535003925 /nfs/dbraw/zinc/00/39/25/535003925.db2.gz XOGGLNVZODRFLO-UHFFFAOYSA-N 0 0 431.539 3.536 50 0 IHAARN CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000009519271 535147335 /nfs/dbraw/zinc/14/73/35/535147335.db2.gz BVMMYXPBXBPKMD-CQSZACIVSA-N 0 0 429.952 3.837 50 0 IHAARN CC(C)OCCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000011120180 535326806 /nfs/dbraw/zinc/32/68/06/535326806.db2.gz PMBBMNRIUFBJID-UHFFFAOYSA-N 0 0 430.570 3.917 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3C)CC2)nc1 ZINC000013039572 535418241 /nfs/dbraw/zinc/41/82/41/535418241.db2.gz ADAJXSRLTKYOKW-UHFFFAOYSA-N 0 0 436.581 3.932 50 0 IHAARN CCN(C)C(=O)c1cccc(CSc2nc(N3CCOCC3)cc(C(C)(C)C)n2)c1 ZINC000006771717 535743430 /nfs/dbraw/zinc/74/34/30/535743430.db2.gz LMKIRGYFZIDACG-UHFFFAOYSA-N 0 0 428.602 3.995 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000009752314 536112283 /nfs/dbraw/zinc/11/22/83/536112283.db2.gz YNLIIWDLSRTBCL-JOCHJYFZSA-N 0 0 441.597 3.735 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c2ccccc2O1 ZINC000006846881 536117116 /nfs/dbraw/zinc/11/71/16/536117116.db2.gz PQJNLQZXGLIBTD-SFHVURJKSA-N 0 0 427.570 3.916 50 0 IHAARN CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C1=O ZINC000008773663 536320673 /nfs/dbraw/zinc/32/06/73/536320673.db2.gz TYEXNKPJGRQRIV-UZLBHIALSA-N 0 0 437.927 3.686 50 0 IHAARN CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C1=O ZINC000008773661 536320878 /nfs/dbraw/zinc/32/08/78/536320878.db2.gz TYEXNKPJGRQRIV-OXQOHEQNSA-N 0 0 437.927 3.686 50 0 IHAARN COc1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc(OC)c1OC ZINC000012937904 536532532 /nfs/dbraw/zinc/53/25/32/536532532.db2.gz ARPOWKNSLWVTLR-UHFFFAOYSA-N 0 0 425.510 3.984 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000008912067 536636782 /nfs/dbraw/zinc/63/67/82/536636782.db2.gz JFOXLEPSSPRKEL-UHFFFAOYSA-N 0 0 447.329 3.588 50 0 IHAARN COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)O[C@H](C)C2 ZINC000014171640 536888941 /nfs/dbraw/zinc/88/89/41/536888941.db2.gz VWRPWZJMRFZACS-YFCVBGDOSA-N 0 0 447.457 3.794 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1ccc2c(c1)CCCC2 ZINC000009056265 555507800 /nfs/dbraw/zinc/50/78/00/555507800.db2.gz XFUCPRGRXSBKJA-AWEZNQCLSA-N 0 0 425.533 3.646 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2OC)cc1 ZINC000000636760 555516988 /nfs/dbraw/zinc/51/69/88/555516988.db2.gz VCKQBHOJFOQTGM-UHFFFAOYSA-N 0 0 437.492 3.855 50 0 IHAARN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1 ZINC000000639284 555517781 /nfs/dbraw/zinc/51/77/81/555517781.db2.gz ZOUHQPKZAMRILQ-MRXNPFEDSA-N 0 0 425.076 3.624 50 0 IHAARN COc1ccccc1OCc1ccc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)cc1 ZINC000000653332 555523824 /nfs/dbraw/zinc/52/38/24/555523824.db2.gz NFZCFYFMAWQPCR-FQEVSTJZSA-N 0 0 426.366 3.695 50 0 IHAARN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000664801 555528003 /nfs/dbraw/zinc/52/80/03/555528003.db2.gz SIWCTDIXRQWLJK-OALUTQOASA-N 0 0 438.549 3.982 50 0 IHAARN CN1C(=O)c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2C1=O ZINC000000678692 555536281 /nfs/dbraw/zinc/53/62/81/555536281.db2.gz RQWSQEYOFRRRTE-UHFFFAOYSA-N 0 0 429.501 3.558 50 0 IHAARN CCOc1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000000678994 555536567 /nfs/dbraw/zinc/53/65/67/555536567.db2.gz YQTPPWRZGAUNPK-UHFFFAOYSA-N 0 0 426.279 3.817 50 0 IHAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000684337 555539206 /nfs/dbraw/zinc/53/92/06/555539206.db2.gz HJKOUXFWQKALBS-HXUWFJFHSA-N 0 0 436.493 3.881 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009284965 555547425 /nfs/dbraw/zinc/54/74/25/555547425.db2.gz XIWLQNJGJRKIED-UHFFFAOYSA-N 0 0 442.512 3.585 50 0 IHAARN NC(=O)c1c2c(sc1N[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1)CCCC2 ZINC000000731966 555553161 /nfs/dbraw/zinc/55/31/61/555553161.db2.gz AYXKYOGNILIAPP-QFIPXVFZSA-N 0 0 433.533 3.777 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 ZINC000000731886 555553235 /nfs/dbraw/zinc/55/32/35/555553235.db2.gz FTRCXVSGLDFSQP-UHFFFAOYSA-N 0 0 442.566 3.563 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000793736 555557739 /nfs/dbraw/zinc/55/77/39/555557739.db2.gz RHBOXVGBMFTODL-UHFFFAOYSA-N 0 0 447.398 3.911 50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000000816938 555562865 /nfs/dbraw/zinc/56/28/65/555562865.db2.gz HIHVGDIAVVORJY-UHFFFAOYSA-N 0 0 426.460 3.960 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009367452 555564756 /nfs/dbraw/zinc/56/47/56/555564756.db2.gz FCHOXNXAOKKDGD-UHFFFAOYSA-N 0 0 438.505 3.531 50 0 IHAARN CC(C)c1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000000827602 555565755 /nfs/dbraw/zinc/56/57/55/555565755.db2.gz JLNLGLKRYVDEJP-UHFFFAOYSA-N 0 0 425.348 3.977 50 0 IHAARN O=C(Nc1ccccc1I)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000837569 555567419 /nfs/dbraw/zinc/56/74/19/555567419.db2.gz ZCLSGGHYLYNIFW-LLVKDONJSA-N 0 0 440.668 3.936 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)cc1OC ZINC000000840695 555568184 /nfs/dbraw/zinc/56/81/84/555568184.db2.gz CJTAANZBDCSDLK-UHFFFAOYSA-N 0 0 446.569 3.575 50 0 IHAARN Cc1c(Nc2nc3nonc3nc2Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000000843747 555568434 /nfs/dbraw/zinc/56/84/34/555568434.db2.gz FYKXZPBRCXJYGI-UHFFFAOYSA-N 0 0 448.874 3.951 50 0 IHAARN CCOC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CCC2 ZINC000000846901 555569978 /nfs/dbraw/zinc/56/99/78/555569978.db2.gz HZRUGUONSUHFII-UHFFFAOYSA-N 0 0 427.478 3.846 50 0 biogenic IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000000862838 555572881 /nfs/dbraw/zinc/57/28/81/555572881.db2.gz KZXJQOZJHHGTAY-GOSISDBHSA-N 0 0 431.876 3.632 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1 ZINC000000870513 555575339 /nfs/dbraw/zinc/57/53/39/555575339.db2.gz OPRUUGYGBCIQJC-UHFFFAOYSA-N 0 0 427.482 3.865 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000000876923 555576105 /nfs/dbraw/zinc/57/61/05/555576105.db2.gz CVTXZPDUONPJGX-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000000877003 555576514 /nfs/dbraw/zinc/57/65/14/555576514.db2.gz VTWKXLOAUULKIG-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000000886966 555579299 /nfs/dbraw/zinc/57/92/99/555579299.db2.gz CWCFKSMONXRTKG-UHFFFAOYSA-N 0 0 434.989 3.896 50 0 IHAARN Cc1cc(C)n(C[C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000000895721 555580353 /nfs/dbraw/zinc/58/03/53/555580353.db2.gz WPZBXCJHCWUDAV-QHCPKHFHSA-N 0 0 435.549 3.910 50 0 IHAARN COc1ccc(OC)c(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000000946308 555588257 /nfs/dbraw/zinc/58/82/57/555588257.db2.gz FQRBATCJXILMEQ-UHFFFAOYSA-N 0 0 437.677 3.902 50 0 IHAARN COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1[C@H](C(=O)OC)CC2 ZINC000000951213 555589124 /nfs/dbraw/zinc/58/91/24/555589124.db2.gz KSUOEITXJCOACK-CQSZACIVSA-N 0 0 431.510 3.680 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000000983526 555594264 /nfs/dbraw/zinc/59/42/64/555594264.db2.gz DTUKCOIIXJJDMD-UHFFFAOYSA-N 0 0 442.459 3.944 50 0 IHAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Sc3nncn3C)n2)cc1 ZINC000000984879 555594410 /nfs/dbraw/zinc/59/44/10/555594410.db2.gz GEJYLFJPMSGWPB-UHFFFAOYSA-N 0 0 436.501 3.656 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000000986100 555594761 /nfs/dbraw/zinc/59/47/61/555594761.db2.gz DYMVDHLVWHNHHJ-MRXNPFEDSA-N 0 0 444.578 3.869 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000000990247 555595993 /nfs/dbraw/zinc/59/59/93/555595993.db2.gz NFIROVHUDJKRFY-INIZCTEOSA-N 0 0 430.298 3.791 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000001003927 555600780 /nfs/dbraw/zinc/60/07/80/555600780.db2.gz UDLKVGRUBACPOV-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COC(Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1)OC ZINC000001031618 555606021 /nfs/dbraw/zinc/60/60/21/555606021.db2.gz AMPKOFCFHGJKTN-UHFFFAOYSA-N 0 0 432.933 3.948 50 0 IHAARN Cc1cc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)ccc1Br ZINC000001051159 555612967 /nfs/dbraw/zinc/61/29/67/555612967.db2.gz RXVKGAXKOINUSZ-UHFFFAOYSA-N 0 0 449.729 3.955 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001060141 555615742 /nfs/dbraw/zinc/61/57/42/555615742.db2.gz ZHHBWMUPKSNLIU-UHFFFAOYSA-N 0 0 429.343 3.930 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000001072325 555621962 /nfs/dbraw/zinc/62/19/62/555621962.db2.gz DGUMQZBBSIWZNQ-LLVKDONJSA-N 0 0 440.668 3.936 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(OC)cc4)N3C2=S)cc1 ZINC000001072857 555622183 /nfs/dbraw/zinc/62/21/83/555622183.db2.gz QHBPMBHZCNXXJP-HKUYNNGSSA-N 0 0 428.535 3.620 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000001074595 555623268 /nfs/dbraw/zinc/62/32/68/555623268.db2.gz QVBKSOJGUBONQY-UHFFFAOYSA-N 0 0 433.489 3.766 50 0 IHAARN COC(=O)c1ccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000001080805 555625897 /nfs/dbraw/zinc/62/58/97/555625897.db2.gz SQYRCLZZARAUTO-UHFFFAOYSA-N 0 0 427.460 3.879 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2cccc(Cl)c2)cc1 ZINC000001104146 555629017 /nfs/dbraw/zinc/62/90/17/555629017.db2.gz GMWCWOBQIMIHCX-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c(OC)c1 ZINC000001105445 555629291 /nfs/dbraw/zinc/62/92/91/555629291.db2.gz SOVFOPMWLHBZRS-UHFFFAOYSA-N 0 0 440.481 3.927 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000001116081 555634497 /nfs/dbraw/zinc/63/44/97/555634497.db2.gz YNBMXCUQCBYKHQ-LLVKDONJSA-N 0 0 438.274 3.659 50 0 IHAARN COc1ccccc1CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000001118003 555635586 /nfs/dbraw/zinc/63/55/86/555635586.db2.gz UZAHZCMYVKECMR-UHFFFAOYSA-N 0 0 430.570 3.643 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000001120952 555637647 /nfs/dbraw/zinc/63/76/47/555637647.db2.gz YSEQVVPFMASJDI-UHFFFAOYSA-N 0 0 425.539 3.755 50 0 IHAARN CC(C)(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(I)cc2)N1 ZINC000001123712 555639306 /nfs/dbraw/zinc/63/93/06/555639306.db2.gz OZEJMFCAJGCDMR-CQSZACIVSA-N 0 0 440.203 3.790 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1CC ZINC000001124467 555640005 /nfs/dbraw/zinc/64/00/05/555640005.db2.gz VEWAQNRVKSWGAH-UHFFFAOYSA-N 0 0 437.569 3.830 50 0 IHAARN Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000001129167 555643375 /nfs/dbraw/zinc/64/33/75/555643375.db2.gz XPZUWUWALSUHFQ-UHFFFAOYSA-N 0 0 447.520 3.736 50 0 IHAARN CC(C)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000001134497 555646270 /nfs/dbraw/zinc/64/62/70/555646270.db2.gz KHCXOAZMHGEQCY-UHFFFAOYSA-N 0 0 425.348 3.977 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)cc1 ZINC000001135594 555646854 /nfs/dbraw/zinc/64/68/54/555646854.db2.gz FDBASNDUCJANNZ-NRFANRHFSA-N 0 0 426.494 3.822 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001139650 555649076 /nfs/dbraw/zinc/64/90/76/555649076.db2.gz NVWOQKSIOSICGR-UHFFFAOYSA-N 0 0 437.521 3.864 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000001142470 555650959 /nfs/dbraw/zinc/65/09/59/555650959.db2.gz RQAWJXJERHRKDG-UHFFFAOYSA-N 0 0 436.265 3.694 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000001144551 555652323 /nfs/dbraw/zinc/65/23/23/555652323.db2.gz GBROQVVMUSEVJV-UHFFFAOYSA-N 0 0 430.457 3.653 50 0 IHAARN Cc1cc(I)ccc1NC(=O)CSCC(=O)Nc1ccccc1 ZINC000001145423 555653055 /nfs/dbraw/zinc/65/30/55/555653055.db2.gz GLOZYRCSDPCLME-UHFFFAOYSA-N 0 0 440.306 3.910 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C ZINC000001145685 555653259 /nfs/dbraw/zinc/65/32/59/555653259.db2.gz DCNGTOIWDUHKLK-UHFFFAOYSA-N 0 0 446.550 3.914 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000001150139 555655839 /nfs/dbraw/zinc/65/58/39/555655839.db2.gz IYPRJTKNYZXLOI-NRFANRHFSA-N 0 0 449.304 3.951 50 0 IHAARN COc1cccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000001152002 555656963 /nfs/dbraw/zinc/65/69/63/555656963.db2.gz JIQJEHAVAKUFQP-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000001160985 555661808 /nfs/dbraw/zinc/66/18/08/555661808.db2.gz LFQHIZHMLDISRZ-UHFFFAOYSA-N 0 0 448.304 3.711 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C)cc1 ZINC000001166534 555664428 /nfs/dbraw/zinc/66/44/28/555664428.db2.gz DVJIYRYTNDOXMU-UHFFFAOYSA-N 0 0 426.279 3.735 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000001171324 555666698 /nfs/dbraw/zinc/66/66/98/555666698.db2.gz RHFRFZBXSCJFJB-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000001173072 555668116 /nfs/dbraw/zinc/66/81/16/555668116.db2.gz VEYJIAQFDZHDQA-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000001173328 555668127 /nfs/dbraw/zinc/66/81/27/555668127.db2.gz OBKJXNGRHVUUHD-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(F)c2)cc1 ZINC000001175080 555669139 /nfs/dbraw/zinc/66/91/39/555669139.db2.gz OGQNZKBYIXQAMS-UHFFFAOYSA-N 0 0 442.512 3.706 50 0 IHAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 ZINC000001180066 555671462 /nfs/dbraw/zinc/67/14/62/555671462.db2.gz WISVMKWBIWZHPW-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN O=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000001194856 555676346 /nfs/dbraw/zinc/67/63/46/555676346.db2.gz KCKKJVPHCQUOBE-CQSZACIVSA-N 0 0 426.641 3.689 50 0 IHAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2)cc1 ZINC000001205951 555680274 /nfs/dbraw/zinc/68/02/74/555680274.db2.gz UWRHOZJWLCVYPR-CJLVFECKSA-N 0 0 430.460 3.891 50 0 biogenic IHAARN CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001206741 555680660 /nfs/dbraw/zinc/68/06/60/555680660.db2.gz KEIAIEZBKPGMFR-UHFFFAOYSA-N 0 0 436.961 3.993 50 0 IHAARN CCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001207244 555680957 /nfs/dbraw/zinc/68/09/57/555680957.db2.gz OKLNQKMSUWPKMB-UHFFFAOYSA-N 0 0 438.549 3.939 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000001215585 555683620 /nfs/dbraw/zinc/68/36/20/555683620.db2.gz VHDKCRMSYNDFNY-UHFFFAOYSA-N 0 0 438.505 3.616 50 0 IHAARN CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CCN(C(C)=O)C2 ZINC000010061029 555691199 /nfs/dbraw/zinc/69/11/99/555691199.db2.gz QYNKQUYCLSGMKQ-UHFFFAOYSA-N 0 0 426.947 3.726 50 0 IHAARN CCOC(=O)c1ccc(COC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)o1 ZINC000001443149 555698183 /nfs/dbraw/zinc/69/81/83/555698183.db2.gz ZPTZHGOGHCYGBT-UHFFFAOYSA-N 0 0 433.416 3.922 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000010411738 555714688 /nfs/dbraw/zinc/71/46/88/555714688.db2.gz VUNMYWJMRISMNY-UHFFFAOYSA-N 0 0 430.526 3.551 50 0 IHAARN COc1ccc(CCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002078492 555736361 /nfs/dbraw/zinc/73/63/61/555736361.db2.gz RAOMQBAPIKERCC-UHFFFAOYSA-N 0 0 444.597 3.686 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890426 555744727 /nfs/dbraw/zinc/74/47/27/555744727.db2.gz CWLLCHXZIXGIGR-SFHVURJKSA-N 0 0 431.464 3.973 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](C)NC(=O)COc1ccc(Cl)cc1C ZINC000002132516 555746558 /nfs/dbraw/zinc/74/65/58/555746558.db2.gz UPEZWASIMKESDR-HNNXBMFYSA-N 0 0 439.339 3.689 50 0 IHAARN CC(C)Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 ZINC000071890556 555746569 /nfs/dbraw/zinc/74/65/69/555746569.db2.gz WZHXJGLSEAJRSB-OAQYLSRUSA-N 0 0 432.609 3.678 50 0 IHAARN CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000002163701 555751245 /nfs/dbraw/zinc/75/12/45/555751245.db2.gz HHKFRAIKXQHMOM-CQSZACIVSA-N 0 0 444.586 3.593 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002180098 555753052 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BZSZENKDXDSTKG-KRWDZBQOSA-N 0 0 428.602 3.667 50 0 IHAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003039781 556162762 /nfs/dbraw/zinc/16/27/62/556162762.db2.gz YIZRBPOPRKEVER-HNNXBMFYSA-N 0 0 448.759 3.814 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008398746 556165044 /nfs/dbraw/zinc/16/50/44/556165044.db2.gz CFGHFDUJLFODEN-LUKFPPMSSA-N 0 0 444.556 3.772 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000008449740 556181034 /nfs/dbraw/zinc/18/10/34/556181034.db2.gz PWPNNPPIWDGXOK-TXKCWOHGSA-N 0 0 431.488 3.879 50 0 IHAARN O=S(=O)(NCCCCCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008454331 556184991 /nfs/dbraw/zinc/18/49/91/556184991.db2.gz NCZCXBCINKEWAE-UHFFFAOYSA-N 0 0 438.615 3.674 50 0 IHAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(C3CCCC3)C2=O)c1 ZINC000008591519 556188967 /nfs/dbraw/zinc/18/89/67/556188967.db2.gz QOJKMUMJHFBDFJ-FQEVSTJZSA-N 0 0 425.460 3.943 50 0 IHAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCC3)C2=O)c1 ZINC000008591520 556188977 /nfs/dbraw/zinc/18/89/77/556188977.db2.gz QOJKMUMJHFBDFJ-HXUWFJFHSA-N 0 0 425.460 3.943 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COc1ccc(OC)cc1 ZINC000008590828 556189002 /nfs/dbraw/zinc/18/90/02/556189002.db2.gz XVHHJWJMQUIINA-UHFFFAOYSA-N 0 0 448.541 3.741 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc(C)c2c(C)n(-c3ccccc3)nc21 ZINC000008594868 556189843 /nfs/dbraw/zinc/18/98/43/556189843.db2.gz WLRIHPWTSMMZMY-UHFFFAOYSA-N 0 0 433.537 3.849 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(=O)c2ccccc2o1 ZINC000008612279 556191950 /nfs/dbraw/zinc/19/19/50/556191950.db2.gz VCOLOHCYZMRSQR-UHFFFAOYSA-N 0 0 426.494 3.610 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000008741796 556206976 /nfs/dbraw/zinc/20/69/76/556206976.db2.gz YDMRHDOXVOGOFL-OAQYLSRUSA-N 0 0 426.563 3.526 50 0 IHAARN Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000008745051 556208800 /nfs/dbraw/zinc/20/88/00/556208800.db2.gz HJQCOTCUXIEXIA-UHFFFAOYSA-N 0 0 444.513 3.825 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000008745949 556209358 /nfs/dbraw/zinc/20/93/58/556209358.db2.gz CGFFFVQGUSANCU-JOCHJYFZSA-N 0 0 445.519 3.692 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008818890 556218405 /nfs/dbraw/zinc/21/84/05/556218405.db2.gz CFGHFDUJLFODEN-NZJBFYSZSA-N 0 0 444.556 3.772 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@](O)([C@@H](C)C(=O)c3ccccc3)C2=O)cc1OC ZINC000008919043 556233047 /nfs/dbraw/zinc/23/30/47/556233047.db2.gz RWASCRWLVRICNW-MRDQGFSESA-N 0 0 431.488 3.957 50 0 IHAARN O=C(COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000008993744 556239268 /nfs/dbraw/zinc/23/92/68/556239268.db2.gz CSARCPQTGHFFDY-KGENOOAVSA-N 0 0 431.423 3.941 50 0 IHAARN Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(C/C=C\c2ccccc2)c(=O)n1C ZINC000097568034 556248237 /nfs/dbraw/zinc/24/82/37/556248237.db2.gz BUWFXNUKADSMIL-YFHOEESVSA-N 0 0 447.926 3.724 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1C ZINC000009201468 556257729 /nfs/dbraw/zinc/25/77/29/556257729.db2.gz SWRWWTDDKKIXBK-WKZKVMAPSA-N 0 0 429.472 3.655 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237941 556264730 /nfs/dbraw/zinc/26/47/30/556264730.db2.gz JYKQDGQITFIVOY-HZPDHXFCSA-N 0 0 448.321 3.886 50 0 IHAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1O ZINC000009263299 556270180 /nfs/dbraw/zinc/27/01/80/556270180.db2.gz AXZXMDSGLRODBO-OVCLIPMQSA-N 0 0 435.249 3.785 50 0 IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000009288338 556272684 /nfs/dbraw/zinc/27/26/84/556272684.db2.gz RDBAFGYCZYOQBF-IBGZPJMESA-N 0 0 446.569 3.838 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 ZINC000009288769 556273397 /nfs/dbraw/zinc/27/33/97/556273397.db2.gz XWWFOTPYDVHWFP-KRWDZBQOSA-N 0 0 436.537 3.714 50 0 IHAARN COc1cc(-c2nn3c(nnc3-c3cncc(Br)c3)s2)cc(OC)c1OC ZINC000013685164 556275785 /nfs/dbraw/zinc/27/57/85/556275785.db2.gz HQWDQUOYRISZGU-UHFFFAOYSA-N 0 0 448.302 3.703 50 0 IHAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000009302085 556275962 /nfs/dbraw/zinc/27/59/62/556275962.db2.gz PJNRYSAVQHQPGZ-SFHVURJKSA-N 0 0 425.535 3.871 50 0 aggregator IHAARN O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 ZINC000013690273 556279750 /nfs/dbraw/zinc/27/97/50/556279750.db2.gz BYYBMMMYSVDTPP-CTNGQTDRSA-N 0 0 432.904 3.723 50 0 IHAARN O=C(CCCN1C(=O)CNC1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000032731325 556283286 /nfs/dbraw/zinc/28/32/86/556283286.db2.gz NHMMXLSRGKMBFB-UHFFFAOYSA-N 0 0 432.274 3.512 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000009392228 556287540 /nfs/dbraw/zinc/28/75/40/556287540.db2.gz VESJYDMFBDEOQX-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccn4)cc3N2)c1 ZINC000009411002 556288401 /nfs/dbraw/zinc/28/84/01/556288401.db2.gz FRVAWDIEEMWVBA-SJLPKXTDSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000009424548 556289567 /nfs/dbraw/zinc/28/95/67/556289567.db2.gz QSGIBXSGAIZVKN-UHFFFAOYSA-N 0 0 433.512 3.949 50 0 IHAARN COCCSc1ccccc1C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 ZINC000009426499 556290293 /nfs/dbraw/zinc/29/02/93/556290293.db2.gz HSIRMRGTKAPSOD-UHFFFAOYSA-N 0 0 449.579 3.503 50 0 IHAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000009427289 556290863 /nfs/dbraw/zinc/29/08/63/556290863.db2.gz NKYUOQBQYKWOCJ-SLFFLAALSA-N 0 0 446.979 3.823 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(OCc2ccccc2)cc1 ZINC000013722646 556290924 /nfs/dbraw/zinc/29/09/24/556290924.db2.gz MSNSULUKWKWGKF-UHFFFAOYSA-N 0 0 441.487 3.939 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)COCc1cc(-c3ccc(F)cc3)on1)CCCC2 ZINC000009436248 556291878 /nfs/dbraw/zinc/29/18/78/556291878.db2.gz BMXYFAIRODGEEB-UHFFFAOYSA-N 0 0 429.473 3.675 50 0 IHAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000013726346 556293164 /nfs/dbraw/zinc/29/31/64/556293164.db2.gz FMULRZFHKMVRRW-UHFFFAOYSA-N 0 0 425.479 3.966 50 0 IHAARN Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000009525810 556296121 /nfs/dbraw/zinc/29/61/21/556296121.db2.gz ZPCMOTGBIBHVNL-UHFFFAOYSA-N 0 0 444.336 3.956 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009590942 556301128 /nfs/dbraw/zinc/30/11/28/556301128.db2.gz RRJVFNWSEJPLLR-ZBFHGGJFSA-N 0 0 430.298 3.925 50 0 IHAARN CCc1cc2c(COC(=O)CCc3c(C)nc(SC)nc3C)cc(=O)oc2cc1O ZINC000032743308 556304056 /nfs/dbraw/zinc/30/40/56/556304056.db2.gz OJGPYRJPEQCWRZ-UHFFFAOYSA-N 0 0 428.510 3.866 50 0 IHAARN CCOc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)sc2C)cc1 ZINC000032744466 556304253 /nfs/dbraw/zinc/30/42/53/556304253.db2.gz XFXDGEMALJOMLT-UHFFFAOYSA-N 0 0 437.587 3.517 50 0 IHAARN O[C@@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000032750944 556313105 /nfs/dbraw/zinc/31/31/05/556313105.db2.gz IQNVDRGEQJZQLY-RDJZCZTQSA-N 0 0 435.546 3.857 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1 ZINC000032747461 556315894 /nfs/dbraw/zinc/31/58/94/556315894.db2.gz YCQIOWQZNOAZRX-UHFFFAOYSA-N 0 0 445.504 3.994 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009926196 556316912 /nfs/dbraw/zinc/31/69/12/556316912.db2.gz OBHJEDBQJGLGRI-DIPPXIFJSA-N 0 0 441.483 3.978 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000009934053 556317949 /nfs/dbraw/zinc/31/79/49/556317949.db2.gz ICDCRYXATDQXKX-OAQYLSRUSA-N 0 0 449.507 3.972 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1 ZINC000013841782 556317901 /nfs/dbraw/zinc/31/79/01/556317901.db2.gz XKROURKKBBHTBG-UHFFFAOYSA-N 0 0 448.932 3.796 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)cc1 ZINC000009969927 556319145 /nfs/dbraw/zinc/31/91/45/556319145.db2.gz VNGWKGDYQXLRLA-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000032759937 556320208 /nfs/dbraw/zinc/32/02/08/556320208.db2.gz CZZCVEPQGNXZID-NRFANRHFSA-N 0 0 446.551 3.572 50 0 IHAARN COc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010007628 556320528 /nfs/dbraw/zinc/32/05/28/556320528.db2.gz PHUUUUGYRYVSKV-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)s1 ZINC000032754720 556323995 /nfs/dbraw/zinc/32/39/95/556323995.db2.gz AXPMBVGAHFQTQY-UHFFFAOYSA-N 0 0 427.501 3.814 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754863 556324019 /nfs/dbraw/zinc/32/40/19/556324019.db2.gz FPMHVUPSKCOEAG-FQEVSTJZSA-N 0 0 444.509 3.713 50 0 IHAARN COc1cc(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O ZINC000013898559 556330544 /nfs/dbraw/zinc/33/05/44/556330544.db2.gz IHNJYQUXYBMDKQ-CHHVJCJISA-N 0 0 436.848 3.868 50 0 IHAARN Cc1c([C@H](C)NC(=O)Cn2nnc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000032765260 556332831 /nfs/dbraw/zinc/33/28/31/556332831.db2.gz RJMOFZNJZKYFOG-ZDUSSCGKSA-N 0 0 428.418 3.822 50 0 IHAARN CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010537084 556336288 /nfs/dbraw/zinc/33/62/88/556336288.db2.gz YIMCROGGXRNSQD-UHFFFAOYSA-N 0 0 442.722 3.973 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3oc4ccc(CCC(C)=O)cc4c3C)cc2=O)s1 ZINC000032774513 556336652 /nfs/dbraw/zinc/33/66/52/556336652.db2.gz BMZDMJXZVDKSRI-UHFFFAOYSA-N 0 0 439.493 3.647 50 0 IHAARN CC(C)(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013940647 556337986 /nfs/dbraw/zinc/33/79/86/556337986.db2.gz RMHWRQUCWVQZGJ-UHFFFAOYSA-N 0 0 431.396 3.687 50 0 IHAARN CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944964 556342398 /nfs/dbraw/zinc/34/23/98/556342398.db2.gz ZMPXJRNAFBZGSP-AWEZNQCLSA-N 0 0 443.548 3.876 50 0 IHAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(-c4ncc[nH]4)s3)C2)cc1OC ZINC000011663273 556344311 /nfs/dbraw/zinc/34/43/11/556344311.db2.gz HNIQHBCZZPJAHA-HNNXBMFYSA-N 0 0 425.510 3.891 50 0 IHAARN Cc1c(I)cnn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000013959119 556346377 /nfs/dbraw/zinc/34/63/77/556346377.db2.gz QGZRYFDFWMJCEC-UHFFFAOYSA-N 0 0 427.330 3.519 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000032781143 556347239 /nfs/dbraw/zinc/34/72/39/556347239.db2.gz NMWXMXUOWWLVQB-DHIUTWEWSA-N 0 0 445.563 3.825 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(C(=O)N(CC)CC)nn1C)CCCCC2 ZINC000013961523 556349267 /nfs/dbraw/zinc/34/92/67/556349267.db2.gz KZYBFSRHAPKMLH-UHFFFAOYSA-N 0 0 446.573 3.662 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)CC1 ZINC000011767065 556349813 /nfs/dbraw/zinc/34/98/13/556349813.db2.gz UYVBSDGNSBVXOI-UHFFFAOYSA-N 0 0 438.480 3.831 50 0 IHAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000013990306 556352881 /nfs/dbraw/zinc/35/28/81/556352881.db2.gz BLXDMWWLAWCZJY-UHFFFAOYSA-N 0 0 434.533 3.997 50 0 IHAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccccc1Cl ZINC000013992329 556353108 /nfs/dbraw/zinc/35/31/08/556353108.db2.gz DMLPJJJUHLAAFK-UHFFFAOYSA-N 0 0 437.858 3.643 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC3)n1 ZINC000011786869 556353765 /nfs/dbraw/zinc/35/37/65/556353765.db2.gz BYEXBPYTMBDDQJ-UTKZUKDTSA-N 0 0 441.959 3.756 50 0 IHAARN CCCN(C[C@@H]1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000011813681 556357278 /nfs/dbraw/zinc/35/72/78/556357278.db2.gz BORNGBSBZXFFLT-NRFANRHFSA-N 0 0 444.572 3.506 50 0 IHAARN Cc1ccccc1[C@@H](CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O ZINC000032796544 556361820 /nfs/dbraw/zinc/36/18/20/556361820.db2.gz ZNLZBSVYJOBKSL-WOJBJXKFSA-N 0 0 445.947 3.947 50 0 IHAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1csc(-c2ccccc2)n1 ZINC000032796922 556362720 /nfs/dbraw/zinc/36/27/20/556362720.db2.gz WTWXCFSDWZRZPB-CQSZACIVSA-N 0 0 444.534 3.523 50 0 IHAARN Nn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014093491 556366085 /nfs/dbraw/zinc/36/60/85/556366085.db2.gz PGSVDWMTYQKJPJ-FQEVSTJZSA-N 0 0 441.532 3.556 50 0 IHAARN CCOc1c(Br)cc(C(=O)Nc2ccccc2SCC(N)=O)cc1OC ZINC000014095123 556366917 /nfs/dbraw/zinc/36/69/17/556366917.db2.gz DRAJHMBCRDAYNM-UHFFFAOYSA-N 0 0 439.331 3.686 50 0 IHAARN Cn1cnnc1SCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011844134 556367018 /nfs/dbraw/zinc/36/70/18/556367018.db2.gz CXTYBASNYHJDSB-SFHVURJKSA-N 0 0 436.537 3.821 50 0 IHAARN O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)Nc1ccc(F)c(F)c1 ZINC000014095642 556367525 /nfs/dbraw/zinc/36/75/25/556367525.db2.gz KNCZRVAOUQRWOJ-UHFFFAOYSA-N 0 0 447.445 3.640 50 0 IHAARN COc1cccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4ccccc4)C3)CCC(=O)N2)c1 ZINC000011882443 556373570 /nfs/dbraw/zinc/37/35/70/556373570.db2.gz FUAZVCVCKMGZRE-AJTFRIOCSA-N 0 0 448.563 3.788 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC000014138673 556375823 /nfs/dbraw/zinc/37/58/23/556375823.db2.gz YNSPOJDXESSBRN-UHFFFAOYSA-N 0 0 431.517 3.687 50 0 IHAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011913600 556376194 /nfs/dbraw/zinc/37/61/94/556376194.db2.gz QVDVFVAQXZKDNJ-HSZRJFAPSA-N 0 0 444.579 3.792 50 0 IHAARN CC(=O)NCc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000014139152 556376216 /nfs/dbraw/zinc/37/62/16/556376216.db2.gz JCRLFTGMMOXOSZ-UHFFFAOYSA-N 0 0 431.517 3.952 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011916981 556376462 /nfs/dbraw/zinc/37/64/62/556376462.db2.gz YDAFQTWDAMHXAE-LJQANCHMSA-N 0 0 442.512 3.927 50 0 IHAARN CC1=C(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)OCCO1 ZINC000011934462 556377623 /nfs/dbraw/zinc/37/76/23/556377623.db2.gz GOWPXRISOQFINT-OAHLLOKOSA-N 0 0 426.435 3.941 50 0 IHAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccccc1Cc1ccccc1 ZINC000014157425 556377972 /nfs/dbraw/zinc/37/79/72/556377972.db2.gz VNHMYWDCYKVBKN-UHFFFAOYSA-N 0 0 445.519 3.897 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000014160806 556378251 /nfs/dbraw/zinc/37/82/51/556378251.db2.gz UFUNWYWNKMPDME-UHFFFAOYSA-N 0 0 425.577 3.860 50 0 IHAARN O=C([C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(Cn2cccn2)CC1 ZINC000011944702 556379964 /nfs/dbraw/zinc/37/99/64/556379964.db2.gz IPEAGWLOFLTZNI-IBGZPJMESA-N 0 0 448.489 3.579 50 0 IHAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 ZINC000014167100 556380042 /nfs/dbraw/zinc/38/00/42/556380042.db2.gz AIFCLJHNHTWDOG-QMHKHESXSA-N 0 0 428.554 3.569 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CSc3nnc(C)s3)C2)c(C)c1 ZINC000011950860 556380375 /nfs/dbraw/zinc/38/03/75/556380375.db2.gz USMCKZKURKTBAV-MRXNPFEDSA-N 0 0 448.614 3.913 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 ZINC000014182288 556382912 /nfs/dbraw/zinc/38/29/12/556382912.db2.gz RLWRUVOTCMZTNR-UHFFFAOYSA-N 0 0 432.977 3.560 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC000014182929 556383074 /nfs/dbraw/zinc/38/30/74/556383074.db2.gz RSVRYJMZWZZAAT-INIZCTEOSA-N 0 0 447.948 3.516 50 0 IHAARN C[C@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011997767 556384677 /nfs/dbraw/zinc/38/46/77/556384677.db2.gz YWBQBTDBNCZZII-CMJOXMDJSA-N 0 0 443.931 3.877 50 0 IHAARN Cc1ccc(CSCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000014185985 556385702 /nfs/dbraw/zinc/38/57/02/556385702.db2.gz QDWMEOCHBFCLKF-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000014189343 556387284 /nfs/dbraw/zinc/38/72/84/556387284.db2.gz NSPWPMUWPRMJMI-DHUDBDOYSA-N 0 0 439.600 3.661 50 0 IHAARN CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O ZINC000012038188 556390517 /nfs/dbraw/zinc/39/05/17/556390517.db2.gz XCQRJJQHMOWAOV-HFZDXXHNSA-N 0 0 433.552 3.768 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000014201104 556391786 /nfs/dbraw/zinc/39/17/86/556391786.db2.gz BRJJDJAERLULHU-HSZRJFAPSA-N 0 0 440.590 3.851 50 0 IHAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)cc1 ZINC000012062075 556395133 /nfs/dbraw/zinc/39/51/33/556395133.db2.gz QBOVCIXOVCIOPW-SFHVURJKSA-N 0 0 432.524 3.578 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000014230207 556397026 /nfs/dbraw/zinc/39/70/26/556397026.db2.gz STABJOMBVGYWEJ-SANMLTNESA-N 0 0 443.503 3.592 50 0 IHAARN COC[C@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccnc1)Sc1ccccc1-2 ZINC000012078817 556398239 /nfs/dbraw/zinc/39/82/39/556398239.db2.gz WHXMJEFAWXWROO-NYHFZMIOSA-N 0 0 435.549 3.695 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000014242082 556402600 /nfs/dbraw/zinc/40/26/00/556402600.db2.gz SLSAMRTXWWPDDQ-UHFFFAOYSA-N 0 0 443.569 3.528 50 0 IHAARN C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014242616 556403245 /nfs/dbraw/zinc/40/32/45/556403245.db2.gz FRRKEFRMFQMBOO-GHMZBOCLSA-N 0 0 446.583 3.732 50 0 IHAARN O=C(C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 ZINC000032594562 556407797 /nfs/dbraw/zinc/40/77/97/556407797.db2.gz TWGACGTXPPZFJR-IERDGZPVSA-N 0 0 442.493 3.747 50 0 IHAARN CN(C)c1nc(-n2cnc(SCc3ccc(Cl)cc3)n2)nc(N2CCCCCC2)n1 ZINC000032598875 556407963 /nfs/dbraw/zinc/40/79/63/556407963.db2.gz NEGWWYMCQOTQNM-UHFFFAOYSA-N 0 0 444.996 3.844 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3ccccc3)C(C)C)n2)cc1OC ZINC000004385441 556413625 /nfs/dbraw/zinc/41/36/25/556413625.db2.gz CFAHGAUDLBSZOV-INIZCTEOSA-N 0 0 425.485 3.958 50 0 IHAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000014356540 556413960 /nfs/dbraw/zinc/41/39/60/556413960.db2.gz IADCWOYVAWHOME-UHFFFAOYSA-N 0 0 440.341 3.726 50 0 IHAARN CCCn1c2ccccc2n(CC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c1=O ZINC000032836953 556418527 /nfs/dbraw/zinc/41/85/27/556418527.db2.gz QBICYWHAOHUBMA-OAQYLSRUSA-N 0 0 437.931 3.506 50 0 IHAARN CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc3ccccc3cn1)CC2 ZINC000014532124 556420984 /nfs/dbraw/zinc/42/09/84/556420984.db2.gz YDXUGIHICCWICC-UHFFFAOYSA-N 0 0 446.429 3.759 50 0 IHAARN Cc1ccc(NC(=O)CN[C@H](c2cccs2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012978688 556423289 /nfs/dbraw/zinc/42/32/89/556423289.db2.gz QFQJSPRBBHFOON-QFIPXVFZSA-N 0 0 443.594 3.625 50 0 IHAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012986445 556427129 /nfs/dbraw/zinc/42/71/29/556427129.db2.gz OLWGBABYJODHQP-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012992224 556428926 /nfs/dbraw/zinc/42/89/26/556428926.db2.gz UEWVIFGORYLFKY-UHFFFAOYSA-N 0 0 448.894 3.670 50 0 IHAARN CCOC(=O)c1ccc(OC[C@H](O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000032854184 556432333 /nfs/dbraw/zinc/43/23/33/556432333.db2.gz YPMLEVFLXOBXGX-AWEZNQCLSA-N 0 0 429.523 3.653 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000032854609 556432676 /nfs/dbraw/zinc/43/26/76/556432676.db2.gz SARFEZJFPMVYEW-UHFFFAOYSA-N 0 0 438.484 3.843 50 0 IHAARN Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)cc12 ZINC000013001733 556433636 /nfs/dbraw/zinc/43/36/36/556433636.db2.gz ISLXTHWUGSDKCW-UHFFFAOYSA-N 0 0 435.347 3.725 50 0 IHAARN COc1c(Br)cc(Cl)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000027827811 556433976 /nfs/dbraw/zinc/43/39/76/556433976.db2.gz QBWVKIODQLOUMI-UHFFFAOYSA-N 0 0 433.711 3.735 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C ZINC000014705798 556435163 /nfs/dbraw/zinc/43/51/63/556435163.db2.gz OJCAQQYLMUXDIC-UHFFFAOYSA-N 0 0 436.516 3.558 50 0 IHAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)cc1 ZINC000022935538 556437698 /nfs/dbraw/zinc/43/76/98/556437698.db2.gz KXXBLACWZDNWFP-FQEVSTJZSA-N 0 0 433.556 3.979 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)c2ccc(C)s2)ccc1OCC(=O)N1CCCCC1 ZINC000013017672 556438610 /nfs/dbraw/zinc/43/86/10/556438610.db2.gz AHPAWTULHUVVKD-UHFFFAOYSA-N 0 0 445.537 3.886 50 0 IHAARN CCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cnn(Cc3ccccc3)c1)CC2 ZINC000014745297 556440752 /nfs/dbraw/zinc/44/07/52/556440752.db2.gz CQQKKRSAZSFSTG-UHFFFAOYSA-N 0 0 449.555 3.549 50 0 IHAARN O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000013028291 556441251 /nfs/dbraw/zinc/44/12/51/556441251.db2.gz LQRHXVLASXBIBM-INIZCTEOSA-N 0 0 439.320 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccco2)cc1 ZINC000032957821 556444914 /nfs/dbraw/zinc/44/49/14/556444914.db2.gz ASUFIAJKDBILGL-UHFFFAOYSA-N 0 0 438.427 3.835 50 0 IHAARN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 ZINC000072272622 556445192 /nfs/dbraw/zinc/44/51/92/556445192.db2.gz NHVWSFYHGFRXGM-NRFANRHFSA-N 0 0 434.496 3.937 50 0 IHAARN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013040940 556446896 /nfs/dbraw/zinc/44/68/96/556446896.db2.gz VOZDNJDOUSDBPT-MRVPVSSYSA-N 0 0 431.659 3.997 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N2CCCCC2)cc1 ZINC000013042252 556448119 /nfs/dbraw/zinc/44/81/19/556448119.db2.gz UKBWBUVVLANPMR-UHFFFAOYSA-N 0 0 426.538 3.895 50 0 IHAARN O=C(Cn1c(CN2CCCCC2)nc2sc3c(c2c1=O)CCC3)N1CCc2ccccc21 ZINC000013063642 556452278 /nfs/dbraw/zinc/45/22/78/556452278.db2.gz CDGLDSFCMZLEJD-UHFFFAOYSA-N 0 0 448.592 3.522 50 0 IHAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nccn2C)nc1C ZINC000028465470 556455388 /nfs/dbraw/zinc/45/53/88/556455388.db2.gz USMKMHMBUPDSHZ-UHFFFAOYSA-N 0 0 430.555 3.687 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000013096658 556457307 /nfs/dbraw/zinc/45/73/07/556457307.db2.gz SMNZBKYWZPSQAL-ZDUSSCGKSA-N 0 0 447.315 3.842 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000028677935 556458612 /nfs/dbraw/zinc/45/86/12/556458612.db2.gz LGAZXYAGAFCMSK-HNNXBMFYSA-N 0 0 437.569 3.999 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccco3)n2C[C@@H]2CCCO2)cc1 ZINC000028678058 556458735 /nfs/dbraw/zinc/45/87/35/556458735.db2.gz PHWFFGRLNVJGNC-BEFAXECRSA-N 0 0 442.541 3.523 50 0 IHAARN CN(C(=O)c1ccc(NC(=O)NCCNc2ncccn2)cc1Cl)C1CCCCC1 ZINC000070038798 556459868 /nfs/dbraw/zinc/45/98/68/556459868.db2.gz UXRFHVXMTMRZDZ-UHFFFAOYSA-N 0 0 430.940 3.768 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000028736151 556460098 /nfs/dbraw/zinc/46/00/98/556460098.db2.gz IUYDDUJVJXADFR-FQEVSTJZSA-N 0 0 439.947 3.543 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1N)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000013101239 556460506 /nfs/dbraw/zinc/46/05/06/556460506.db2.gz LRLQYAFLSVFQIY-NXEZZACHSA-N 0 0 444.611 3.997 50 0 IHAARN CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000013102735 556461329 /nfs/dbraw/zinc/46/13/29/556461329.db2.gz GFQIGNBJDPSVCZ-GOSISDBHSA-N 0 0 426.460 3.677 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n2)s1 ZINC000013108276 556462013 /nfs/dbraw/zinc/46/20/13/556462013.db2.gz XJPIGGAZAIRPLG-INIZCTEOSA-N 0 0 427.507 3.748 50 0 IHAARN COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000028829970 556462088 /nfs/dbraw/zinc/46/20/88/556462088.db2.gz KTUWSIQBULRXDJ-NSHDSACASA-N 0 0 435.274 3.600 50 0 IHAARN Cc1nc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)sc1CC(N)=O ZINC000032871382 556462740 /nfs/dbraw/zinc/46/27/40/556462740.db2.gz DGGIFGNIEFEDMX-GOSISDBHSA-N 0 0 435.571 3.678 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C ZINC000013110166 556464269 /nfs/dbraw/zinc/46/42/69/556464269.db2.gz UORZSOFXGLQBIC-SCUMNGBJSA-N 0 0 434.602 3.717 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1cc(Br)ccc1OC ZINC000028935978 556464546 /nfs/dbraw/zinc/46/45/46/556464546.db2.gz SKHHENOBAOOLOG-UHFFFAOYSA-N 0 0 441.347 3.766 50 0 IHAARN COC(=O)c1cn(CC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c2ccccc12 ZINC000028947485 556465021 /nfs/dbraw/zinc/46/50/21/556465021.db2.gz LBGPQFNNMCKSFY-NRFANRHFSA-N 0 0 436.899 3.721 50 0 IHAARN Cc1sc2[nH]c(CSc3nc4sc5c(c4c(=O)n3C)CCC5)nc(=O)c2c1C ZINC000013112625 556465189 /nfs/dbraw/zinc/46/51/89/556465189.db2.gz UWKDYJJLCPWKKF-UHFFFAOYSA-N 0 0 430.580 3.691 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C3CC3)n(-c3ccccc3)n2)cc1 ZINC000013112742 556465562 /nfs/dbraw/zinc/46/55/62/556465562.db2.gz AGYVWROIIZPRJW-UHFFFAOYSA-N 0 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556467892 /nfs/dbraw/zinc/46/78/92/556467892.db2.gz VXYSRIPHMRNTQO-UHFFFAOYSA-N 0 0 435.303 3.763 50 0 IHAARN CCOC(=O)Nc1cccc(C(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000029131479 556468095 /nfs/dbraw/zinc/46/80/95/556468095.db2.gz LDOSWBUFDQSTKM-FQEVSTJZSA-N 0 0 438.484 3.525 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)sc2C)cc1 ZINC000029168983 556469242 /nfs/dbraw/zinc/46/92/42/556469242.db2.gz ZMNLWLOWIIIUOA-UHFFFAOYSA-N 0 0 445.566 3.840 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCSCC2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000014981594 556471260 /nfs/dbraw/zinc/47/12/60/556471260.db2.gz WOXDBVPMPZINAB-UHFFFAOYSA-N 0 0 433.577 3.574 50 0 IHAARN O=C(c1cccc(CN2C(=O)CSC2=O)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029268932 556471355 /nfs/dbraw/zinc/47/13/55/556471355.db2.gz AOGNBOYPDBHAGH-UHFFFAOYSA-N 0 0 434.521 3.778 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000029280151 556471541 /nfs/dbraw/zinc/47/15/41/556471541.db2.gz WDMOYPNWHPIOBW-JOCHJYFZSA-N 0 0 438.574 3.977 50 0 IHAARN O=C(c1cc(Br)ccc1O)N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000029326067 556472409 /nfs/dbraw/zinc/47/24/09/556472409.db2.gz GHBSBCRWRBOMFZ-UHFFFAOYSA-N 0 0 448.342 3.829 50 0 IHAARN Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000013121043 556473598 /nfs/dbraw/zinc/47/35/98/556473598.db2.gz XLSHXRJJSXZHFG-VWLOTQADSA-N 0 0 447.560 3.705 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000013124049 556474815 /nfs/dbraw/zinc/47/48/15/556474815.db2.gz CICXRXAEOQOGEH-BBRMVZONSA-N 0 0 438.479 3.885 50 0 IHAARN Cc1c(C(=O)NCC(C)(C)CO)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000014995751 556477487 /nfs/dbraw/zinc/47/74/87/556477487.db2.gz SPECBEKEDZFRHR-UHFFFAOYSA-N 0 0 437.569 3.884 50 0 IHAARN CCS(=O)(=O)N1CCC(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000029650567 556479411 /nfs/dbraw/zinc/47/94/11/556479411.db2.gz KDBLWMRVHWCFEC-UHFFFAOYSA-N 0 0 445.566 3.614 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000060065519 556479435 /nfs/dbraw/zinc/47/94/35/556479435.db2.gz OROCFKZZZNPTNK-CYBMUJFWSA-N 0 0 438.229 3.947 50 0 IHAARN CC(C)c1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000015000432 556479522 /nfs/dbraw/zinc/47/95/22/556479522.db2.gz GVDDYZXYYPQRKV-UHFFFAOYSA-N 0 0 436.535 3.758 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)cs2)o1 ZINC000029693928 556480025 /nfs/dbraw/zinc/48/00/25/556480025.db2.gz OLBLBAQGGPAZNK-UHFFFAOYSA-N 0 0 431.583 3.835 50 0 IHAARN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000015002101 556480201 /nfs/dbraw/zinc/48/02/01/556480201.db2.gz LPOGDTDXQKGPTI-QFIPXVFZSA-N 0 0 434.536 3.667 50 0 IHAARN Cc1sc2nc(SCC(=O)Nc3sccc3C(N)=O)n(C(C)C)c(=O)c2c1C ZINC000013134356 556482401 /nfs/dbraw/zinc/48/24/01/556482401.db2.gz JSIAIVDVMZKQGC-UHFFFAOYSA-N 0 0 436.584 3.547 50 0 IHAARN CCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134334 556482408 /nfs/dbraw/zinc/48/24/08/556482408.db2.gz OLMJPTLLZWYVDC-UHFFFAOYSA-N 0 0 447.322 3.531 50 0 IHAARN Cc1ccc2c(c1)nc(CCNC(=O)Nc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)n2C ZINC000072289116 556483140 /nfs/dbraw/zinc/48/31/40/556483140.db2.gz AMVWQNXTMUOTJJ-IRXDYDNUSA-N 0 0 439.535 3.999 50 0 IHAARN Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 ZINC000013138739 556485421 /nfs/dbraw/zinc/48/54/21/556485421.db2.gz WCBBGLPOSVFRTK-NTKDMRAZSA-N 0 0 434.517 3.939 50 0 IHAARN Cc1ccc(NC(=O)C2=C(Nc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1 ZINC000015019359 556487841 /nfs/dbraw/zinc/48/78/41/556487841.db2.gz YSYSFCXBNOTORI-UHFFFAOYSA-N 0 0 434.473 3.930 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1F ZINC000015020329 556488228 /nfs/dbraw/zinc/48/82/28/556488228.db2.gz BPYBLTSUDGDTGA-IYBDPMFKSA-N 0 0 434.533 3.967 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1 ZINC000032876516 556488754 /nfs/dbraw/zinc/48/87/54/556488754.db2.gz RVUVLHYPDLUKEQ-UHFFFAOYSA-N 0 0 448.504 3.529 50 0 IHAARN CCN(C(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000032872098 556489752 /nfs/dbraw/zinc/48/97/52/556489752.db2.gz LJZWADBCRRKDND-DOMZBBRYSA-N 0 0 428.963 3.511 50 0 IHAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc2n[nH]nc2c1 ZINC000030121561 556490588 /nfs/dbraw/zinc/49/05/88/556490588.db2.gz VXCMYXGCZFDBPP-UHFFFAOYSA-N 0 0 427.873 3.664 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)c4cccs4)C3)n2)c(OC)c1OC ZINC000015064099 556491482 /nfs/dbraw/zinc/49/14/82/556491482.db2.gz XYPPFHNFSCECST-CQSZACIVSA-N 0 0 443.525 3.919 50 0 IHAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000030220219 556491593 /nfs/dbraw/zinc/49/15/93/556491593.db2.gz CIMKWUNYIUPVJC-ZEQRLZLVSA-N 0 0 442.563 3.943 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccc(Cl)cc1O ZINC000013149709 556491647 /nfs/dbraw/zinc/49/16/47/556491647.db2.gz UGPWIWAQGKVNFV-UHFFFAOYSA-N 0 0 447.793 3.885 50 0 IHAARN COCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000015068675 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438.858 3.614 50 0 IHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000032714910 556503033 /nfs/dbraw/zinc/50/30/33/556503033.db2.gz CIWYJPFFQLRGAN-CQSZACIVSA-N 0 0 426.542 3.637 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccccc1Cl ZINC000013388821 556503762 /nfs/dbraw/zinc/50/37/62/556503762.db2.gz VEHOANHMOIYTOF-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888856 556505869 /nfs/dbraw/zinc/50/58/69/556505869.db2.gz PYECFWLUADHBCU-UHFFFAOYSA-N 0 0 446.960 3.811 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000032882080 556508477 /nfs/dbraw/zinc/50/84/77/556508477.db2.gz KHDPSGLTLADHHV-HSZRJFAPSA-N 0 0 439.943 3.812 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 ZINC000032882891 556509278 /nfs/dbraw/zinc/50/92/78/556509278.db2.gz XZFSTVRILHTMBB-MOPGFXCFSA-N 0 0 434.515 3.960 50 0 IHAARN CN1CCc2nc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)sc2C1 ZINC000030870004 556513466 /nfs/dbraw/zinc/51/34/66/556513466.db2.gz DZSDZPGGUOJWBO-UHFFFAOYSA-N 0 0 425.533 3.977 50 0 IHAARN O=S(=O)(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Cl)cc1 ZINC000032895789 556515464 /nfs/dbraw/zinc/51/54/64/556515464.db2.gz JDAGBBWWBXJGHG-UHFFFAOYSA-N 0 0 425.219 3.533 50 0 IHAARN CC[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]21 ZINC000015305821 556517853 /nfs/dbraw/zinc/51/78/53/556517853.db2.gz GJLOQGZEOGPFMP-BMGDILEWSA-N 0 0 444.281 3.676 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000030958246 556518393 /nfs/dbraw/zinc/51/83/93/556518393.db2.gz YRJWURSTFBAQNE-UHFFFAOYSA-N 0 0 442.512 3.551 50 0 IHAARN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000011074144 556518518 /nfs/dbraw/zinc/51/85/18/556518518.db2.gz XAAMROASAJQQGR-UHFFFAOYSA-N 0 0 449.985 3.819 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 ZINC000015314398 556518586 /nfs/dbraw/zinc/51/85/86/556518586.db2.gz 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Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1c[nH]cn1)OC1(CCCCC1)CC3 ZINC000013570782 556521805 /nfs/dbraw/zinc/52/18/05/556521805.db2.gz NKMOCYSSZXQEEZ-UHFFFAOYSA-N 0 0 435.524 3.754 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC2)cc1C ZINC000072298250 556521884 /nfs/dbraw/zinc/52/18/84/556521884.db2.gz UJBMOAWVTMDOGG-GOSISDBHSA-N 0 0 434.524 3.797 50 0 IHAARN Cc1cc(C)n([C@H](C)C(=O)N(C)c2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)cc2F)n1 ZINC000072300837 556523594 /nfs/dbraw/zinc/52/35/94/556523594.db2.gz JQRYQZDEEMTBRP-ZWKOTPCHSA-N 0 0 440.523 3.876 50 0 IHAARN CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000015386094 556523940 /nfs/dbraw/zinc/52/39/40/556523940.db2.gz RDBWUXAEXFDYIW-UHFFFAOYSA-N 0 0 444.397 3.523 50 0 IHAARN COc1ccc2nc(Sc3ccccc3)c(C=C3C(=O)NC(=S)N3C(C)=O)cc2c1 ZINC000031833868 556526836 /nfs/dbraw/zinc/52/68/36/556526836.db2.gz HNNGDTJJAMTTKO-UNOMPAQXSA-N 0 0 435.530 3.999 50 0 IHAARN COc1ccc(N(CCC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000015436330 556527567 /nfs/dbraw/zinc/52/75/67/556527567.db2.gz WOIMQDFLFOATKA-UHFFFAOYSA-N 0 0 439.537 3.931 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013594351 556531654 /nfs/dbraw/zinc/53/16/54/556531654.db2.gz GHKJVPAGWKCCEG-QGZVFWFLSA-N 0 0 426.488 3.546 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1[C@H](/C=C/c2ccccc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013597523 556532314 /nfs/dbraw/zinc/53/23/14/556532314.db2.gz XPPRYOYKKOSLAZ-KITBNQJHSA-N 0 0 430.541 3.956 50 0 IHAARN O=C(Nc1ccc(OC(=O)c2cnc3sccn3c2=O)cc1)c1ccccc1Cl ZINC000015515883 556532623 /nfs/dbraw/zinc/53/26/23/556532623.db2.gz LCVATPCVCXZTEK-UHFFFAOYSA-N 0 0 425.853 3.881 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000015553908 556534402 /nfs/dbraw/zinc/53/44/02/556534402.db2.gz PPYKZXLTEWVTEK-UHFFFAOYSA-N 0 0 447.413 3.585 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000013616096 556535293 /nfs/dbraw/zinc/53/52/93/556535293.db2.gz QEORKYWQHKDERW-WKZKVMAPSA-N 0 0 429.472 3.655 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000032902403 556536095 /nfs/dbraw/zinc/53/60/95/556536095.db2.gz VDGMBCMUCUABPN-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c1 ZINC000015590115 556536507 /nfs/dbraw/zinc/53/65/07/556536507.db2.gz QJSHHDQTASZPBQ-VLCRHTCISA-N 0 0 446.613 3.765 50 0 IHAARN COc1cc2oc(=O)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)c2cc1Cl ZINC000013624767 556536706 /nfs/dbraw/zinc/53/67/06/556536706.db2.gz HARVTSGNAQEDBF-UHFFFAOYSA-N 0 0 447.871 3.970 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000013624747 556536743 /nfs/dbraw/zinc/53/67/43/556536743.db2.gz IPWFMEJMJUFQLF-UHFFFAOYSA-N 0 0 449.532 3.698 50 0 IHAARN CC(C)n1nccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000032719348 556537079 /nfs/dbraw/zinc/53/70/79/556537079.db2.gz KWAPPRZYFXEIPJ-FQEVSTJZSA-N 0 0 433.464 3.714 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N(CC)CC ZINC000011087225 556537785 /nfs/dbraw/zinc/53/77/85/556537785.db2.gz XPXDYLWNYJPNDQ-UHFFFAOYSA-N 0 0 445.335 3.724 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)Cn3cnc4c5ccccc5oc4c3=O)s2)cs1 ZINC000015616166 556538307 /nfs/dbraw/zinc/53/83/07/556538307.db2.gz YOVFTQOGWKPCFP-UHFFFAOYSA-N 0 0 436.518 3.953 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COC(=O)CCC(=O)c3ccc(F)cc3)s2)cc1 ZINC000032903338 556539365 /nfs/dbraw/zinc/53/93/65/556539365.db2.gz LUMUKHWXXJNXHY-UHFFFAOYSA-N 0 0 427.457 3.944 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)NCC)C2=O)cc1 ZINC000015658851 556541223 /nfs/dbraw/zinc/54/12/23/556541223.db2.gz WJTAUHNOACYZCB-NRFANRHFSA-N 0 0 439.581 3.546 50 0 IHAARN CCn1cc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)c2ccccc21 ZINC000032904591 556544242 /nfs/dbraw/zinc/54/42/42/556544242.db2.gz KOSRFDKNDRNCGK-UHFFFAOYSA-N 0 0 445.523 3.678 50 0 IHAARN O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(c2cnccn2)CC1 ZINC000032904606 556544309 /nfs/dbraw/zinc/54/43/09/556544309.db2.gz PCFUSJYADLDAPT-UHFFFAOYSA-N 0 0 430.537 3.608 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccco2)cc1 ZINC000015746808 556548531 /nfs/dbraw/zinc/54/85/31/556548531.db2.gz DCJBHPYHCVREJA-LDADJPATSA-N 0 0 448.431 3.595 50 0 IHAARN C[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000072304663 556549083 /nfs/dbraw/zinc/54/90/83/556549083.db2.gz DUWZCCPOHISXAY-GHTZIAJQSA-N 0 0 430.570 3.997 50 0 IHAARN C[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000072304660 556549239 /nfs/dbraw/zinc/54/92/39/556549239.db2.gz DUWZCCPOHISXAY-NQIIRXRSSA-N 0 0 430.570 3.997 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)Nc1ccc(C)c(F)c1)c(=O)n2C ZINC000015779863 556551204 /nfs/dbraw/zinc/55/12/04/556551204.db2.gz HFWHSURPNQYBAL-UHFFFAOYSA-N 0 0 433.487 3.755 50 0 IHAARN CCc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(CC)c2=O)cc1 ZINC000015780043 556551520 /nfs/dbraw/zinc/55/15/20/556551520.db2.gz GULGJARLNGFKRA-UHFFFAOYSA-N 0 0 443.551 3.722 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1C ZINC000032906388 556552100 /nfs/dbraw/zinc/55/21/00/556552100.db2.gz CEVNBSCJEGSINL-UHFFFAOYSA-N 0 0 427.526 3.633 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015796754 556552135 /nfs/dbraw/zinc/55/21/35/556552135.db2.gz BTDLIEWMPNFRMT-AUSIDOKSSA-N 0 0 441.597 3.506 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015796755 556552163 /nfs/dbraw/zinc/55/21/63/556552163.db2.gz BTDLIEWMPNFRMT-WMZHIEFXSA-N 0 0 441.597 3.506 50 0 IHAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCCCOC(C)C)CC1 ZINC000033115127 556554649 /nfs/dbraw/zinc/55/46/49/556554649.db2.gz ZZRRKJYJVFSCMA-LJQANCHMSA-N 0 0 440.588 3.600 50 0 IHAARN c1ccc(-c2nnc3n2[C@@H](CSc2nnc(NC[C@@H]4CCCO4)s2)CS3)cc1 ZINC000032906024 556557286 /nfs/dbraw/zinc/55/72/86/556557286.db2.gz HQVAOOFSFXOUDZ-KGLIPLIRSA-N 0 0 432.600 3.827 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000015854000 556557642 /nfs/dbraw/zinc/55/76/42/556557642.db2.gz RRFBJJNARRVMAA-ZIAGYGMSSA-N 0 0 446.500 3.931 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000015859894 556558585 /nfs/dbraw/zinc/55/85/85/556558585.db2.gz WNMWXEVWBYXTEA-OAHLLOKOSA-N 0 0 431.286 3.715 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274721 556559235 /nfs/dbraw/zinc/55/92/35/556559235.db2.gz JFFWFKSVIACBTE-UHFFFAOYSA-N 0 0 430.570 3.795 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)OCCC(C)C ZINC000072306764 556560378 /nfs/dbraw/zinc/56/03/78/556560378.db2.gz GIGIIIAJRNJHJJ-SCLBCKFNSA-N 0 0 439.350 3.582 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000015882531 556561242 /nfs/dbraw/zinc/56/12/42/556561242.db2.gz XIYOUEOYJNTHBY-UHFFFAOYSA-N 0 0 428.880 3.976 50 0 IHAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000032907664 556563374 /nfs/dbraw/zinc/56/33/74/556563374.db2.gz CRUZNLDPROPWTJ-UHFFFAOYSA-N 0 0 429.520 3.701 50 0 IHAARN CCOc1ccccc1N1CCN(Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000072309021 556568990 /nfs/dbraw/zinc/56/89/90/556568990.db2.gz NOAJJBPZWNCPQB-UHFFFAOYSA-N 0 0 436.581 3.794 50 0 IHAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 ZINC000015963314 556569651 /nfs/dbraw/zinc/56/96/51/556569651.db2.gz QPAJPWGSAMIMBH-UHFFFAOYSA-N 0 0 426.527 3.731 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015990347 556571809 /nfs/dbraw/zinc/57/18/09/556571809.db2.gz QVQWILUXLJHDTC-CBPXPLCBSA-N 0 0 428.419 3.817 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2Br)c1 ZINC000016003664 556573068 /nfs/dbraw/zinc/57/30/68/556573068.db2.gz RTWLRWXGLIGAHM-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@@H](C)[C@H]4C3=O)cc2)cc1 ZINC000016034857 556577447 /nfs/dbraw/zinc/57/74/47/556577447.db2.gz PADVOKDFVJTERK-UJUVCNOISA-N 0 0 431.492 3.989 50 0 IHAARN O=C(c1ccccc1OC(F)F)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000032909921 556577787 /nfs/dbraw/zinc/57/77/87/556577787.db2.gz NQPQICSKHODHSZ-UHFFFAOYSA-N 0 0 428.357 3.905 50 0 IHAARN CCNC(=O)N(CCSCc1cc2cccc3c2n(c1=O)CCC3)Cc1ccccn1 ZINC000016080096 556581737 /nfs/dbraw/zinc/58/17/37/556581737.db2.gz BSYVUOMILMFSNS-UHFFFAOYSA-N 0 0 436.581 3.808 50 0 IHAARN COc1cccc(-c2ccnc3c(C(=O)N4CCN(c5ccccc5F)CC4)cnn32)c1 ZINC000034786503 556582315 /nfs/dbraw/zinc/58/23/15/556582315.db2.gz WQNMJEFVVLLNEB-UHFFFAOYSA-N 0 0 431.471 3.506 50 0 IHAARN O=C(CSc1ncnc2c3ccccc3oc21)NCc1ccc(N2CCCC2=O)cc1 ZINC000016105299 556583345 /nfs/dbraw/zinc/58/33/45/556583345.db2.gz DSHNSWMWTBZOPW-UHFFFAOYSA-N 0 0 432.505 3.911 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCOCC2)cc1 ZINC000032969226 556588549 /nfs/dbraw/zinc/58/85/49/556588549.db2.gz YGNHLPHKRRWECC-OAHLLOKOSA-N 0 0 444.746 3.854 50 0 IHAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000032970957 556589120 /nfs/dbraw/zinc/58/91/20/556589120.db2.gz PKSFQCIPERBGFZ-WZONZLPQSA-N 0 0 434.540 3.903 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000032971546 556589364 /nfs/dbraw/zinc/58/93/64/556589364.db2.gz YJYJFFNQGHQYQN-UHFFFAOYSA-N 0 0 443.550 3.668 50 0 IHAARN COc1ccc(CCN2CN(c3ccc(F)cc3)c3nc(C)c(C)c(=O)n3C2)cc1OC ZINC000036125653 556593290 /nfs/dbraw/zinc/59/32/90/556593290.db2.gz VCYKIYBNWJERLU-UHFFFAOYSA-N 0 0 438.503 3.628 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC000032912898 556593554 /nfs/dbraw/zinc/59/35/54/556593554.db2.gz FNKOMNALXMYSME-UHFFFAOYSA-N 0 0 438.532 3.679 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl ZINC000032913718 556594696 /nfs/dbraw/zinc/59/46/96/556594696.db2.gz NGCIYIZNTYPTLE-NWDGAFQWSA-N 0 0 441.290 3.709 50 0 IHAARN Cn1c2ccc(S(C)(=O)=O)cc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100859788 556597057 /nfs/dbraw/zinc/59/70/57/556597057.db2.gz XAOYHTRKXBIBCO-VHXPQNKSSA-N 0 0 436.558 3.903 50 0 IHAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@H]1c1ccccc1 ZINC000036358282 556597350 /nfs/dbraw/zinc/59/73/50/556597350.db2.gz ZBOFSXWQFDNKRP-BJKOFHAPSA-N 0 0 437.503 3.876 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000100860549 556597845 /nfs/dbraw/zinc/59/78/45/556597845.db2.gz WOZNKNVKFIMBGB-UCMDFWOYSA-N 0 0 429.567 3.544 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000100860552 556597848 /nfs/dbraw/zinc/59/78/48/556597848.db2.gz WOZNKNVKFIMBGB-SKAIHHOBSA-N 0 0 429.567 3.544 50 0 IHAARN Cc1ccc(CNC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000016292394 556598170 /nfs/dbraw/zinc/59/81/70/556598170.db2.gz SPFLNLYPPIRUEN-UHFFFAOYSA-N 0 0 438.549 3.656 50 0 IHAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1OCC(C)C ZINC000016319903 556600097 /nfs/dbraw/zinc/60/00/97/556600097.db2.gz UYZQSLHIJZIRJF-INIZCTEOSA-N 0 0 441.322 3.684 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000032975619 556600189 /nfs/dbraw/zinc/60/01/89/556600189.db2.gz OHKOFABCKWOHNQ-OYRHEFFESA-N 0 0 440.565 3.885 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N[C@H](C)c3ccccc3)c2=O)c1 ZINC000037399728 556602841 /nfs/dbraw/zinc/60/28/41/556602841.db2.gz LXZDRTKTMVXOGB-QGZVFWFLSA-N 0 0 447.922 3.992 50 0 IHAARN COc1cc(NC(=O)c2c(-c3ccccc3F)noc2N2CCOCC2)cc(OC)c1 ZINC000032985129 556604821 /nfs/dbraw/zinc/60/48/21/556604821.db2.gz RLGRGBOQCZYCTJ-UHFFFAOYSA-N 0 0 427.432 3.587 50 0 IHAARN Cc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032987058 556606944 /nfs/dbraw/zinc/60/69/44/556606944.db2.gz RHDOSVAAAAERAD-UHFFFAOYSA-N 0 0 426.567 3.957 50 0 IHAARN C[C@H](NC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032987523 556607670 /nfs/dbraw/zinc/60/76/70/556607670.db2.gz YLYWXGCVYULZJM-ZDUSSCGKSA-N 0 0 430.917 3.838 50 0 IHAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000032987857 556608520 /nfs/dbraw/zinc/60/85/20/556608520.db2.gz HCUXAHNNVPCTAP-FQEVSTJZSA-N 0 0 436.581 3.792 50 0 IHAARN CCOc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc(Br)c1OC ZINC000016475103 556610119 /nfs/dbraw/zinc/61/01/19/556610119.db2.gz HQRZDBYSMAREGM-UHFFFAOYSA-N 0 0 447.289 3.873 50 0 IHAARN O=C1NC(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1C1CCCCCC1 ZINC000016474880 556610237 /nfs/dbraw/zinc/61/02/37/556610237.db2.gz IAWXYCHGBHFRBA-UHFFFAOYSA-N 0 0 434.540 3.830 50 0 IHAARN COc1ccc([C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c2nccn2C)cc1 ZINC000016476698 556610696 /nfs/dbraw/zinc/61/06/96/556610696.db2.gz BQVMIPOAFKLOOY-NRFANRHFSA-N 0 0 441.915 3.692 50 0 IHAARN COc1ccc([C@@H](NC(=O)Cn2c(CSC)nc3ccccc32)c2nccn2C)cc1 ZINC000016476675 556610747 /nfs/dbraw/zinc/61/07/47/556610747.db2.gz NSFYDNYKXUYFLX-JOCHJYFZSA-N 0 0 435.553 3.547 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1)Nc1ccccc1C(F)(F)F ZINC000016491921 556612550 /nfs/dbraw/zinc/61/25/50/556612550.db2.gz GRBKVROCLNSWEW-UHFFFAOYSA-N 0 0 443.828 3.894 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(OC)c1 ZINC000038486553 556612860 /nfs/dbraw/zinc/61/28/60/556612860.db2.gz ASOQUKGMNMFPNH-UHFFFAOYSA-N 0 0 439.468 3.920 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C ZINC000016565590 556615674 /nfs/dbraw/zinc/61/56/74/556615674.db2.gz WLQSCKCINQZMPG-UHFFFAOYSA-N 0 0 442.869 3.906 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)CCC(=O)c2cc(C)ccc2C)n1 ZINC000016624861 556618747 /nfs/dbraw/zinc/61/87/47/556618747.db2.gz ZYEPJDULFLODCC-UHFFFAOYSA-N 0 0 435.484 3.529 50 0 IHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)C2CC2)C2CC2)cc1OC ZINC000033652814 556619380 /nfs/dbraw/zinc/61/93/80/556619380.db2.gz KFIDKBKTJIIKER-UHFFFAOYSA-N 0 0 440.540 3.578 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000100570672 556622651 /nfs/dbraw/zinc/62/26/51/556622651.db2.gz LJVUMCCCSPFCQG-QHCPKHFHSA-N 0 0 446.478 3.851 50 0 IHAARN COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100570692 556622690 /nfs/dbraw/zinc/62/26/90/556622690.db2.gz NSDKZJIDRCJDJY-QHCPKHFHSA-N 0 0 446.478 3.851 50 0 IHAARN Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000016677915 556622918 /nfs/dbraw/zinc/62/29/18/556622918.db2.gz PWPZJGDXPKQFHM-LJQANCHMSA-N 0 0 443.594 3.684 50 0 IHAARN Cc1cc(C)cc(-n2c(CN3CCN(C(=O)NC4CCCC4)CC3)nc3cccnc32)c1 ZINC000097937930 556623766 /nfs/dbraw/zinc/62/37/66/556623766.db2.gz NUKREPFDDMGPBO-UHFFFAOYSA-N 0 0 432.572 3.807 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)o1 ZINC000097937984 556627747 /nfs/dbraw/zinc/62/77/47/556627747.db2.gz WUHAIRNOECFMRI-UHFFFAOYSA-N 0 0 449.540 3.669 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000016694944 556628188 /nfs/dbraw/zinc/62/81/88/556628188.db2.gz CWKCBTKIJOCJFQ-UHFFFAOYSA-N 0 0 442.562 3.931 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000016712643 556630499 /nfs/dbraw/zinc/63/04/99/556630499.db2.gz YFDNHSPKZZTUDX-LFIBNONCSA-N 0 0 428.311 3.527 50 0 IHAARN COc1ccc(CCn2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)cc1OC ZINC000040387680 556635988 /nfs/dbraw/zinc/63/59/88/556635988.db2.gz HIGWZGJCKYEXTQ-UHFFFAOYSA-N 0 0 426.476 3.971 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000016742410 556636303 /nfs/dbraw/zinc/63/63/03/556636303.db2.gz UHUZLLOFSXCZRB-WKRCLWGVSA-N 0 0 447.447 3.610 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000016742411 556636313 /nfs/dbraw/zinc/63/63/13/556636313.db2.gz UHUZLLOFSXCZRB-GTBBCORBSA-N 0 0 447.447 3.610 50 0 IHAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCO)C3=O ZINC000016751305 556637509 /nfs/dbraw/zinc/63/75/09/556637509.db2.gz PZABLYMRXLEJLN-QGZVFWFLSA-N 0 0 428.282 3.710 50 0 IHAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OCC ZINC000016753391 556638445 /nfs/dbraw/zinc/63/84/45/556638445.db2.gz LPAYPRQVAWJRPF-JOCHJYFZSA-N 0 0 437.492 3.908 50 0 IHAARN COc1ccccc1Nc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)cs1 ZINC000037435749 556638438 /nfs/dbraw/zinc/63/84/38/556638438.db2.gz BJHWYJWJPQXHDV-SFHVURJKSA-N 0 0 438.553 3.761 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C ZINC000016766076 556640032 /nfs/dbraw/zinc/64/00/32/556640032.db2.gz CBHOREWBFIMUSF-IBGZPJMESA-N 0 0 425.441 3.641 50 0 IHAARN COc1ccc(CCNC(=O)NCCn2ccc3ccc(Br)cc32)cc1OC ZINC000409413149 556640448 /nfs/dbraw/zinc/64/04/48/556640448.db2.gz DQSXRWWPLMOPFU-UHFFFAOYSA-N 0 0 446.345 3.963 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)cc1 ZINC000032920467 556640734 /nfs/dbraw/zinc/64/07/34/556640734.db2.gz SNWWWBDOVGJMNK-UHFFFAOYSA-N 0 0 441.509 3.825 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)CC)cc2)C1 ZINC000037557066 556645368 /nfs/dbraw/zinc/64/53/68/556645368.db2.gz PJTDSOBQBBAKTG-QFIPXVFZSA-N 0 0 436.552 3.974 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 ZINC000016841145 556645912 /nfs/dbraw/zinc/64/59/12/556645912.db2.gz IABYRVGFMBRMTO-UHFFFAOYSA-N 0 0 448.504 3.922 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)c(C)c1 ZINC000038487192 556647989 /nfs/dbraw/zinc/64/79/89/556647989.db2.gz FBMTUODUNHETHG-UHFFFAOYSA-N 0 0 444.470 3.514 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc42)C[S@](=O)C3)cc1 ZINC000011726345 556648820 /nfs/dbraw/zinc/64/88/20/556648820.db2.gz IDFAQOOAHWSNFG-WJOKGBTCSA-N 0 0 431.517 3.978 50 0 IHAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000016903070 556648818 /nfs/dbraw/zinc/64/88/18/556648818.db2.gz JDNPASRPBICMKE-ZWKOTPCHSA-N 0 0 437.540 3.599 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1 ZINC000011738562 556649366 /nfs/dbraw/zinc/64/93/66/556649366.db2.gz VDSKTHNEEVQXGK-UHFFFAOYSA-N 0 0 437.974 3.556 50 0 IHAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc3c(c2)OCO3)cc1 ZINC000016954136 556650176 /nfs/dbraw/zinc/65/01/76/556650176.db2.gz CUPGBSUWAAKWOC-UHFFFAOYSA-N 0 0 435.484 3.981 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(OC)cc3)cc12 ZINC000016954728 556650298 /nfs/dbraw/zinc/65/02/98/556650298.db2.gz YYIUVIWQJSFLCN-UHFFFAOYSA-N 0 0 448.504 3.922 50 0 IHAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCO5)nccn3n2)cc1 ZINC000016954713 556650349 /nfs/dbraw/zinc/65/03/49/556650349.db2.gz ZUIMPNZKXIVERL-UHFFFAOYSA-N 0 0 434.477 3.864 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)ccc1O ZINC000016976468 556652092 /nfs/dbraw/zinc/65/20/92/556652092.db2.gz DMBQUZYODGZJON-AWEZNQCLSA-N 0 0 443.912 3.904 50 0 IHAARN O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000011758568 556653153 /nfs/dbraw/zinc/65/31/53/556653153.db2.gz YVNIGQXPFXTXKY-UHFFFAOYSA-N 0 0 444.564 3.784 50 0 IHAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)NCCCc2nc3ccccc3[nH]2)cc1 ZINC000011759179 556653691 /nfs/dbraw/zinc/65/36/91/556653691.db2.gz LCYHXUDUIARQDX-UHFFFAOYSA-N 0 0 436.541 3.632 50 0 IHAARN O=C(/C=C/c1ccccc1Cl)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000017029088 556653950 /nfs/dbraw/zinc/65/39/50/556653950.db2.gz XTAZWAXBLVFCOV-JXMROGBWSA-N 0 0 437.905 3.956 50 0 IHAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)c3)csc2n1 ZINC000011769712 556654202 /nfs/dbraw/zinc/65/42/02/556654202.db2.gz SALDIKRHPZVHST-AWEZNQCLSA-N 0 0 449.488 3.866 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc(Cn3c4ccccc4nc(C)c3=O)cc2)c1 ZINC000033005923 556655297 /nfs/dbraw/zinc/65/52/97/556655297.db2.gz GJIREQCVGUUBAE-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3cccnc3)c2=O)cc1 ZINC000033006714 556655585 /nfs/dbraw/zinc/65/55/85/556655585.db2.gz YRMPTWPDMYCCLJ-UHFFFAOYSA-N 0 0 430.533 3.557 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000017095913 556659550 /nfs/dbraw/zinc/65/95/50/556659550.db2.gz OCZCJYLTQJFDSA-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN CCC[C@H](C)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000248092829 556662452 /nfs/dbraw/zinc/66/24/52/556662452.db2.gz HJZOANJVZHTLCR-AQOAWAETSA-N 0 0 428.554 3.999 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NC[C@H]4CCCO4)C3)sc12 ZINC000248099209 556664029 /nfs/dbraw/zinc/66/40/29/556664029.db2.gz JCVMEAXUXGHQSL-PKOBYXMFSA-N 0 0 439.585 3.610 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043727064 556665061 /nfs/dbraw/zinc/66/50/61/556665061.db2.gz GJZVOTCXZHCVEC-WCIQWLHISA-N 0 0 426.394 3.810 50 0 IHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866915 556667043 /nfs/dbraw/zinc/66/70/43/556667043.db2.gz FZDXWPBMMTUCCU-CLOONOSVSA-N 0 0 427.541 3.976 50 0 biogenic IHAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC2(C[C@@H]2C(=O)NCCC2=CCCCC2)CC1 ZINC000011881693 556668631 /nfs/dbraw/zinc/66/86/31/556668631.db2.gz JZJHGCYMXPOMRY-OAQYLSRUSA-N 0 0 438.568 3.983 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000011916705 556674237 /nfs/dbraw/zinc/67/42/37/556674237.db2.gz MTKRXDOQPKHGDF-SFHVURJKSA-N 0 0 430.913 3.825 50 0 IHAARN Cc1cc(-c2cc(C(=O)N[C@@H](C)CN3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000032931459 556675270 /nfs/dbraw/zinc/67/52/70/556675270.db2.gz CRCNZHGPFMPRLG-HNNXBMFYSA-N 0 0 441.601 3.808 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000100804886 556675744 /nfs/dbraw/zinc/67/57/44/556675744.db2.gz YJXMFLMYMIYCIG-JZXOWHBKSA-N 0 0 425.554 3.915 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 ZINC000032934428 556677522 /nfs/dbraw/zinc/67/75/22/556677522.db2.gz CBKKAKYPRQWGAL-MGPUTAFESA-N 0 0 441.503 3.861 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000248250239 556677759 /nfs/dbraw/zinc/67/77/59/556677759.db2.gz IQJTYTKCRBOFML-AQNXPRMDSA-N 0 0 426.513 3.558 50 0 IHAARN Cc1cc(=O)c(C(=O)NCCSC(F)(F)F)nn1-c1ccccc1C(F)(F)F ZINC000032936067 556678072 /nfs/dbraw/zinc/67/80/72/556678072.db2.gz LXBWNRVKJUKJOZ-UHFFFAOYSA-N 0 0 425.354 3.543 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000238899931 556681994 /nfs/dbraw/zinc/68/19/94/556681994.db2.gz HHJIRPBCFIQOJU-VDABOFBKSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 ZINC000060322912 556685023 /nfs/dbraw/zinc/68/50/23/556685023.db2.gz JYEBETUHGDTHQT-QWRGUYRKSA-N 0 0 435.187 3.786 50 0 IHAARN COc1ccc(Cc2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1OC ZINC000045221629 556685656 /nfs/dbraw/zinc/68/56/56/556685656.db2.gz VTUVSYCPQAPRGY-UHFFFAOYSA-N 0 0 425.466 3.707 50 0 IHAARN Cc1c(C#N)c(=O)n(C)c(N2CCCCC2)c1/C=C1\SC(=S)N(CCC(C)C)C1=O ZINC000002253164 556687523 /nfs/dbraw/zinc/68/75/23/556687523.db2.gz ATINWBYLSNITBE-LDADJPATSA-N 0 0 444.626 3.803 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4ccc(C)cc4)nnc3c2=O)cc1 ZINC000046005714 556689918 /nfs/dbraw/zinc/68/99/18/556689918.db2.gz BPLDLFHDSOUILM-GOSISDBHSA-N 0 0 445.523 3.795 50 0 IHAARN COc1ccc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)c(OC)c1 ZINC000033025670 556701083 /nfs/dbraw/zinc/70/10/83/556701083.db2.gz DMHNHWHMVWWBLT-UHFFFAOYSA-N 0 0 432.484 3.722 50 0 IHAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3ccc(C)cc3n2)cc1Cl ZINC000033026766 556703897 /nfs/dbraw/zinc/70/38/97/556703897.db2.gz ATEMKVBNDBFLPS-UHFFFAOYSA-N 0 0 433.917 3.545 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCc2n[nH]c(C(=O)N[C@@H]3CCCc4ccccc43)c2C1 ZINC000034797164 556704480 /nfs/dbraw/zinc/70/44/80/556704480.db2.gz WZHBVMKTWFKQIN-OAQYLSRUSA-N 0 0 448.954 3.998 50 0 IHAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 ZINC000071957533 556707822 /nfs/dbraw/zinc/70/78/22/556707822.db2.gz JOUZRERIYJTTAT-UHFFFAOYSA-N 0 0 440.569 3.706 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138546553 556718871 /nfs/dbraw/zinc/71/88/71/556718871.db2.gz OXUAIQLLSKQZEX-IPMKNSEASA-N 0 0 432.307 3.538 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Br)c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138563961 556719154 /nfs/dbraw/zinc/71/91/54/556719154.db2.gz OQJKGILEFIBHHE-OKZBNKHCSA-N 0 0 446.732 3.638 50 0 IHAARN O=C(COC(=O)c1ccccc1I)NCc1ccc(F)cc1Cl ZINC000072330001 556727623 /nfs/dbraw/zinc/72/76/23/556727623.db2.gz RFNWAARJUXHSRQ-UHFFFAOYSA-N 0 0 447.631 3.557 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000078660880 556735073 /nfs/dbraw/zinc/73/50/73/556735073.db2.gz LWTGXGCDSLCNEG-GOEBONIOSA-N 0 0 440.569 3.857 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000078805984 556736606 /nfs/dbraw/zinc/73/66/06/556736606.db2.gz YRMNNDPZXCGEEG-HXUWFJFHSA-N 0 0 429.517 3.872 50 0 IHAARN COC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(F)c(OC)c4)oc3C)CC2)cc1 ZINC000055182521 556737002 /nfs/dbraw/zinc/73/70/02/556737002.db2.gz QDEIMFNJHMISJW-UHFFFAOYSA-N 0 0 439.487 3.907 50 0 IHAARN COc1ccc2c(c1)c(C(=O)[C@H](C)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C ZINC000019372343 556748684 /nfs/dbraw/zinc/74/86/84/556748684.db2.gz UJSTUEYFNLCBGU-SFHVURJKSA-N 0 0 449.551 3.613 50 0 IHAARN Cc1ccc(-n2c(SC[C@@H](O)COc3ccc(F)cc3)nnc2N2CCCC2)cc1 ZINC000057996523 556751741 /nfs/dbraw/zinc/75/17/41/556751741.db2.gz FJSCPNHBMCDUHW-IBGZPJMESA-N 0 0 428.533 3.847 50 0 IHAARN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000058004714 556752390 /nfs/dbraw/zinc/75/23/90/556752390.db2.gz BJWJGZXDNRNIFU-DEOSSOPVSA-N 0 0 445.567 3.777 50 0 IHAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(ccc(OC)c3OC)[nH]2)cc1 ZINC000058007297 556752790 /nfs/dbraw/zinc/75/27/90/556752790.db2.gz IKALUULRXJLVJZ-UHFFFAOYSA-N 0 0 447.491 3.980 50 0 IHAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC000058086686 556757356 /nfs/dbraw/zinc/75/73/56/556757356.db2.gz CWHHAYSUUPTBDL-MRXNPFEDSA-N 0 0 442.516 3.635 50 0 IHAARN O=C(NCc1cccc(COCc2ccco2)c1)c1nc(N2CCCC2)ncc1Cl ZINC000058100867 556758168 /nfs/dbraw/zinc/75/81/68/556758168.db2.gz YBDDQOBEYYLABZ-UHFFFAOYSA-N 0 0 426.904 3.970 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2Cl)n1 ZINC000011167889 556760562 /nfs/dbraw/zinc/76/05/62/556760562.db2.gz SMZLLNCUOQKMDD-UHFFFAOYSA-N 0 0 447.738 3.991 50 0 IHAARN C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000061984075 556763143 /nfs/dbraw/zinc/76/31/43/556763143.db2.gz NRHHGCHOSAJJBK-MRXNPFEDSA-N 0 0 434.521 3.622 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1 ZINC000058159573 556763787 /nfs/dbraw/zinc/76/37/87/556763787.db2.gz KHGCONYYKMFQPQ-UHFFFAOYSA-N 0 0 432.524 3.609 50 0 IHAARN O=C(OCCOc1ccc(Cl)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000019471312 556768049 /nfs/dbraw/zinc/76/80/49/556768049.db2.gz CHZAWFABQPKYEP-MRXNPFEDSA-N 0 0 426.943 3.855 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000019485596 556768326 /nfs/dbraw/zinc/76/83/26/556768326.db2.gz ZOYJCVVQXYHTSO-ZDUSSCGKSA-N 0 0 440.477 3.943 50 0 IHAARN O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000058173467 556768614 /nfs/dbraw/zinc/76/86/14/556768614.db2.gz AFJUQNYKGURVSW-QGZVFWFLSA-N 0 0 441.400 3.907 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc3cc(OC)ccc3c2)CC1 ZINC000058173818 556768843 /nfs/dbraw/zinc/76/88/43/556768843.db2.gz YLXWLPLXYHTGRH-UHFFFAOYSA-N 0 0 431.536 3.807 50 0 IHAARN O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000058196039 556770576 /nfs/dbraw/zinc/77/05/76/556770576.db2.gz TWIGZEUJAAEPGJ-QGZVFWFLSA-N 0 0 437.525 3.891 50 0 IHAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058218330 556772820 /nfs/dbraw/zinc/77/28/20/556772820.db2.gz RBXHXPSVXAVVTP-KXBFYZLASA-N 0 0 449.473 3.639 50 0 IHAARN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(-n2cnnn2)cc1 ZINC000058246193 556775199 /nfs/dbraw/zinc/77/51/99/556775199.db2.gz QIJYGYOHCHTYGS-UHFFFAOYSA-N 0 0 437.257 3.864 50 0 IHAARN Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)s1 ZINC000058265672 556776244 /nfs/dbraw/zinc/77/62/44/556776244.db2.gz AOWCTLBKDJOLPD-UHFFFAOYSA-N 0 0 444.582 3.936 50 0 IHAARN CCn1c(=O)[nH]c(=O)c(NC)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000058325055 556781068 /nfs/dbraw/zinc/78/10/68/556781068.db2.gz QKGKSQDENTZQPD-UHFFFAOYSA-N 0 0 433.443 3.617 50 0 IHAARN C[C@H](C(=O)c1ccc2c(c1)CCC2)n1nnc(-c2ccccc2I)n1 ZINC000058369309 556783445 /nfs/dbraw/zinc/78/34/45/556783445.db2.gz RKJOIDOYYUKLLZ-GFCCVEGCSA-N 0 0 444.276 3.877 50 0 IHAARN O=C(CCCOCCc1ccccc1)N(CCO)Cc1cc(Br)ccc1F ZINC000058405874 556785735 /nfs/dbraw/zinc/78/57/35/556785735.db2.gz ZYGSNZLCDWBTGC-UHFFFAOYSA-N 0 0 438.337 3.949 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000058406775 556786229 /nfs/dbraw/zinc/78/62/29/556786229.db2.gz VPQDTUYINJQDOS-CZUORRHYSA-N 0 0 445.441 3.820 50 0 IHAARN Cn1nnnc1Sc1ccc(Br)cc1NC(=O)c1cc(F)cc(F)c1 ZINC000058438321 556788386 /nfs/dbraw/zinc/78/83/86/556788386.db2.gz QWJIRRDPBKKXAS-UHFFFAOYSA-N 0 0 426.246 3.654 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1sccc1NC(=O)c1ccoc1 ZINC000058440622 556788974 /nfs/dbraw/zinc/78/89/74/556788974.db2.gz VGIHUMDKBZKDHE-UHFFFAOYSA-N 0 0 427.482 3.703 50 0 IHAARN CN1N=C(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CCC1=O ZINC000058910608 556792823 /nfs/dbraw/zinc/79/28/23/556792823.db2.gz AMCXYLJOOMKWNN-UHFFFAOYSA-N 0 0 436.365 3.644 50 0 IHAARN O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccc(I)cc1 ZINC000059257529 556796358 /nfs/dbraw/zinc/79/63/58/556796358.db2.gz OSWPKSJCTCWFFG-UHFFFAOYSA-N 0 0 430.245 3.754 50 0 IHAARN COc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1OC ZINC000019552821 556796447 /nfs/dbraw/zinc/79/64/47/556796447.db2.gz ATSXIXHFDFEEFD-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002095236 556798702 /nfs/dbraw/zinc/79/87/02/556798702.db2.gz CSOYJGOZFRGVTF-IBGZPJMESA-N 0 0 443.521 3.689 50 0 biogenic IHAARN COc1cc(C=C(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)cc(OC)c1O ZINC000005417097 556799123 /nfs/dbraw/zinc/79/91/23/556799123.db2.gz FNNSWRHRYBAOGF-UHFFFAOYSA-N 0 0 430.545 3.691 50 0 IHAARN CCOc1ccc(OCCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000002626913 556800616 /nfs/dbraw/zinc/80/06/16/556800616.db2.gz BYWHTTSVFNKQTL-HXUWFJFHSA-N 0 0 433.302 3.694 50 0 IHAARN COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000002627035 556800762 /nfs/dbraw/zinc/80/07/62/556800762.db2.gz RTOYOQCWIJAASL-QGZVFWFLSA-N 0 0 426.542 3.848 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000059759559 556804166 /nfs/dbraw/zinc/80/41/66/556804166.db2.gz CWECBVSJVSAZTO-UHFFFAOYSA-N 0 0 436.556 3.729 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000060035182 556806105 /nfs/dbraw/zinc/80/61/05/556806105.db2.gz NRKXUGNEDNPOEC-CYBMUJFWSA-N 0 0 438.229 3.947 50 0 IHAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)CCNC(=O)C(C)(C)C)cc2Cl)n1 ZINC000060098338 556806400 /nfs/dbraw/zinc/80/64/00/556806400.db2.gz ZLJJBKHFHWTSCE-HNNXBMFYSA-N 0 0 447.967 3.844 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057730 556807945 /nfs/dbraw/zinc/80/79/45/556807945.db2.gz INVFCHBOQWTGPL-HNNXBMFYSA-N 0 0 436.899 3.842 50 0 IHAARN COCCN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202302 556809940 /nfs/dbraw/zinc/80/99/40/556809940.db2.gz BGSXLJYYYIYNFJ-QGZVFWFLSA-N 0 0 439.299 3.915 50 0 IHAARN COc1cc(OC)c(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004870401 556824900 /nfs/dbraw/zinc/82/49/00/556824900.db2.gz PIHJQYIEBDQNLU-ZJRYTYELSA-N 0 0 431.529 3.590 50 0 IHAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000064800434 556827526 /nfs/dbraw/zinc/82/75/26/556827526.db2.gz XSOHLLSQEYPNAQ-UHFFFAOYSA-N 0 0 446.511 3.920 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000064816967 556827815 /nfs/dbraw/zinc/82/78/15/556827815.db2.gz XYOQENZLZFQOIZ-SFHVURJKSA-N 0 0 426.542 3.751 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccc(C)c4)cc32)cc1 ZINC000065002700 556830963 /nfs/dbraw/zinc/83/09/63/556830963.db2.gz XCWZGYDODBVQKS-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000096558524 556833884 /nfs/dbraw/zinc/83/38/84/556833884.db2.gz QAKWUXMCTDOSJN-VWLOTQADSA-N 0 0 435.483 3.938 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc5ccccc54)CC3)nc(C)n2)n1 ZINC000065362084 556834019 /nfs/dbraw/zinc/83/40/19/556834019.db2.gz ZFUOYATZPQXDGZ-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1OC ZINC000019634306 556834024 /nfs/dbraw/zinc/83/40/24/556834024.db2.gz LMYXMDGOTWNVTO-UHFFFAOYSA-N 0 0 441.538 3.840 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1Cl ZINC000065363247 556834885 /nfs/dbraw/zinc/83/48/85/556834885.db2.gz JGRQFVUWGFSVOX-UHFFFAOYSA-N 0 0 439.907 3.631 50 0 IHAARN COc1cc(CCC2CCN(C(=O)CCn3c4ccccc4oc3=O)CC2)cc(OC)c1 ZINC000062580643 556836399 /nfs/dbraw/zinc/83/63/99/556836399.db2.gz VMUULVCUTADZCH-UHFFFAOYSA-N 0 0 438.524 3.873 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccccc1 ZINC000019638235 556836426 /nfs/dbraw/zinc/83/64/26/556836426.db2.gz ORGFGDIQJJXIEF-UHFFFAOYSA-N 0 0 443.503 3.626 50 0 IHAARN CC(C)[C@@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 ZINC000334161998 556837272 /nfs/dbraw/zinc/83/72/72/556837272.db2.gz LZLHBHNZLPZNOC-JOCHJYFZSA-N 0 0 437.496 3.905 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)n1 ZINC000019643867 556838761 /nfs/dbraw/zinc/83/87/61/556838761.db2.gz CXPWSZAMMAHCPQ-UHFFFAOYSA-N 0 0 445.570 3.566 50 0 IHAARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067172418 556842054 /nfs/dbraw/zinc/84/20/54/556842054.db2.gz ZOMBCUNDSQMNQA-HXUWFJFHSA-N 0 0 449.507 3.950 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1Cl ZINC000008705845 556842595 /nfs/dbraw/zinc/84/25/95/556842595.db2.gz GVURYDVROUYFNY-UHFFFAOYSA-N 0 0 440.949 3.948 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000011214940 556842995 /nfs/dbraw/zinc/84/29/95/556842995.db2.gz AFHAYSOQSSSTSM-HSZRJFAPSA-N 0 0 440.565 3.557 50 0 IHAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000008762651 556845741 /nfs/dbraw/zinc/84/57/41/556845741.db2.gz OUNRJQDZXQTPBJ-QAPCUYQASA-N 0 0 441.528 3.684 50 0 IHAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000008762643 556845759 /nfs/dbraw/zinc/84/57/59/556845759.db2.gz OUNRJQDZXQTPBJ-YJBOKZPZSA-N 0 0 441.528 3.684 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)OCC(=O)c2ccc(Cl)s2)c1=O ZINC000008780508 556846452 /nfs/dbraw/zinc/84/64/52/556846452.db2.gz WHFACSJHEWBKEW-UHFFFAOYSA-N 0 0 447.925 3.764 50 0 IHAARN Cc1n[nH]cc1C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000067895508 556847623 /nfs/dbraw/zinc/84/76/23/556847623.db2.gz BANYVSQNVRTRCV-UHFFFAOYSA-N 0 0 430.936 3.728 50 0 IHAARN COc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3OC)C2=O)c1 ZINC000068713434 556849511 /nfs/dbraw/zinc/84/95/11/556849511.db2.gz SVJGPJRWGLKUER-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN CCCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008840454 556849778 /nfs/dbraw/zinc/84/97/78/556849778.db2.gz GPAPVGBSFPQJLU-UHFFFAOYSA-N 0 0 444.578 3.739 50 0 IHAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000033069278 556850738 /nfs/dbraw/zinc/85/07/38/556850738.db2.gz BCPUWXRVCIXJLX-UHFFFAOYSA-N 0 0 443.551 3.945 50 0 IHAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071299 556851544 /nfs/dbraw/zinc/85/15/44/556851544.db2.gz VXWKSBQNGSDZTM-HNNXBMFYSA-N 0 0 443.345 3.867 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCc3cc(OC)ccc3OC)C2)s1 ZINC000033078383 556853305 /nfs/dbraw/zinc/85/33/05/556853305.db2.gz WULKUKCOPULGPS-OAHLLOKOSA-N 0 0 440.569 3.804 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)N5CCCCCC5)CC4)c32)cc1 ZINC000033084844 556855179 /nfs/dbraw/zinc/85/51/79/556855179.db2.gz GSDGKSIVXWXZMN-UHFFFAOYSA-N 0 0 435.528 3.912 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccco3)C2)s1 ZINC000033113060 556859776 /nfs/dbraw/zinc/85/97/76/556859776.db2.gz HYPHKRZTQSOVKH-ZDUSSCGKSA-N 0 0 429.477 3.612 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)cc1 ZINC000033113972 556860733 /nfs/dbraw/zinc/86/07/33/556860733.db2.gz JOGVMAOTPPWUES-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)c4ccccc4)no3)cc2)o1 ZINC000033114369 556861279 /nfs/dbraw/zinc/86/12/79/556861279.db2.gz LIIZVQHNCVVOJW-UHFFFAOYSA-N 0 0 444.491 3.883 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033128010 556865066 /nfs/dbraw/zinc/86/50/66/556865066.db2.gz YHQXJAHMLFMKHC-UHFFFAOYSA-N 0 0 425.510 3.597 50 0 IHAARN Cc1ccc(-n2nc(OCC(=O)Nc3ccc(Br)c(C)c3)ccc2=O)cc1C ZINC000033125129 556866294 /nfs/dbraw/zinc/86/62/94/556866294.db2.gz LTEXYUZJZRTXBO-UHFFFAOYSA-N 0 0 442.313 3.938 50 0 IHAARN C[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 ZINC000043730035 556873352 /nfs/dbraw/zinc/87/33/52/556873352.db2.gz RONAVVNVXVQDKC-IGCHPXFFSA-N 0 0 441.597 3.546 50 0 IHAARN CCOc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(C)C)CC2)cc1 ZINC000033139843 556874854 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O=C(NCc1ccccc1)C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000033260310 556897190 /nfs/dbraw/zinc/89/71/90/556897190.db2.gz VZRLECRYXWPMRY-UHFFFAOYSA-N 0 0 446.942 3.978 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(C)n2)c1C ZINC000072119158 556898569 /nfs/dbraw/zinc/89/85/69/556898569.db2.gz NKHQPVRFWBWWTG-UHFFFAOYSA-N 0 0 432.572 3.847 50 0 IHAARN COc1cc(CN2CCN(Cc3ccc(OC)c(Br)c3)CC2)cc2c1OCO2 ZINC000019781902 556913638 /nfs/dbraw/zinc/91/36/38/556913638.db2.gz ICHNVTCDMFLTLU-UHFFFAOYSA-N 0 0 449.345 3.513 50 0 IHAARN Cc1ccc(C(=O)N/C(=C\c2ccc(C(C)C)cc2)C(=O)NCCCN2CCOCC2)cc1 ZINC000019794770 556915946 /nfs/dbraw/zinc/91/59/46/556915946.db2.gz UYANBYBQRDOCTD-PLRJNAJWSA-N 0 0 449.595 3.728 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019835193 556927958 /nfs/dbraw/zinc/92/79/58/556927958.db2.gz YVSKWBKZLICPLN-UHFFFAOYSA-N 0 0 432.545 3.698 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1Cl ZINC000019857994 556931753 /nfs/dbraw/zinc/93/17/53/556931753.db2.gz SGYOMQANTITDJJ-INIZCTEOSA-N 0 0 436.961 3.838 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019857948 556931791 /nfs/dbraw/zinc/93/17/91/556931791.db2.gz OKFFZNRPMBDIBT-MRXNPFEDSA-N 0 0 436.961 3.838 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860470 556932898 /nfs/dbraw/zinc/93/28/98/556932898.db2.gz JPIGTBMWFXSASA-AWEZNQCLSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1ccccc1N1CCN(C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000019908956 556942782 /nfs/dbraw/zinc/94/27/82/556942782.db2.gz MVWWYUZPHVDEHS-DEOSSOPVSA-N 0 0 430.548 3.788 50 0 IHAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000019912939 556943675 /nfs/dbraw/zinc/94/36/75/556943675.db2.gz MPMCJLYKGXKRJH-CQSZACIVSA-N 0 0 440.780 3.762 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1 ZINC000019938883 556952875 /nfs/dbraw/zinc/95/28/75/556952875.db2.gz WGCMQMAODSUUBH-NRFANRHFSA-N 0 0 445.372 3.896 50 0 IHAARN O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)NCCCN1CCOCC1 ZINC000020029137 556968215 /nfs/dbraw/zinc/96/82/15/556968215.db2.gz CUOJOGJOQCRFBM-IBGZPJMESA-N 0 0 447.373 3.515 50 0 IHAARN C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000020080474 556978759 /nfs/dbraw/zinc/97/87/59/556978759.db2.gz CBABYSJLHQKUAC-QGZVFWFLSA-N 0 0 436.581 3.662 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000020102492 556980777 /nfs/dbraw/zinc/98/07/77/556980777.db2.gz AOWSLYFSJRYQDP-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000020109861 556984859 /nfs/dbraw/zinc/98/48/59/556984859.db2.gz OZJWNKADMFMNNX-OJNXCIKNSA-N 0 0 442.600 3.668 50 0 IHAARN CCOC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116198 556987174 /nfs/dbraw/zinc/98/71/74/556987174.db2.gz ZFQVVPCSPAYJIL-MHLWUJJFSA-N 0 0 440.584 3.588 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(OC(F)F)cc2)c(C)c1 ZINC000020133953 556988226 /nfs/dbraw/zinc/98/82/26/556988226.db2.gz YGAOUXQHNVTPJS-SFHVURJKSA-N 0 0 426.427 3.819 50 0 IHAARN CC1(C)C[C@H](C(=O)N2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)CCO1 ZINC000076915981 556993860 /nfs/dbraw/zinc/99/38/60/556993860.db2.gz BFXJARHITKMKDR-JOCHJYFZSA-N 0 0 441.616 3.559 50 0 IHAARN O=C(CCC1CCN(C(=O)Cc2ccsc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000077011089 556995579 /nfs/dbraw/zinc/99/55/79/556995579.db2.gz JAOBFZJCWFJLRZ-UHFFFAOYSA-N 0 0 425.598 3.658 50 0 IHAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020275225 557005438 /nfs/dbraw/zinc/00/54/38/557005438.db2.gz MAUXGPARIGKBTL-UHFFFAOYSA-N 0 0 449.576 3.606 50 0 IHAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020307926 557006549 /nfs/dbraw/zinc/00/65/49/557006549.db2.gz JXEGUWDQZNOSMR-QHCPKHFHSA-N 0 0 432.520 3.794 50 0 IHAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN3CCOCC3)o2)cc1 ZINC000023118473 557006693 /nfs/dbraw/zinc/00/66/93/557006693.db2.gz KQDRXRRFPHHKPM-UHFFFAOYSA-N 0 0 441.553 3.617 50 0 IHAARN COc1ccc(-c2nn3c(nc(C)cc3N3CCN(c4ccccn4)CC3)c2C)cc1OC ZINC000023118842 557006702 /nfs/dbraw/zinc/00/67/02/557006702.db2.gz NARPMWDTNCNZDP-UHFFFAOYSA-N 0 0 444.539 3.752 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCCN2CCOCC2)cc1 ZINC000023118483 557006715 /nfs/dbraw/zinc/00/67/15/557006715.db2.gz MKCSVBPNPFZJSU-UHFFFAOYSA-N 0 0 441.553 3.535 50 0 IHAARN O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2cccnc21)Nc1cccc(C(F)(F)F)c1 ZINC000020356849 557010786 /nfs/dbraw/zinc/01/07/86/557010786.db2.gz FZSVZJYKPGSBBM-UHFFFAOYSA-N 0 0 446.429 3.721 50 0 IHAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccccc1C ZINC000045995816 557015508 /nfs/dbraw/zinc/01/55/08/557015508.db2.gz AFFZNQIJFPOXGX-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN Cc1cc2nc(COc3ccccc3NC(=O)COc3ccc(Cl)cc3)cc(=O)n2o1 ZINC000045984846 557015706 /nfs/dbraw/zinc/01/57/06/557015706.db2.gz SPVALXUNYGTHEW-UHFFFAOYSA-N 0 0 439.855 3.846 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)c2c(C)nn(C)c2n1 ZINC000045991513 557017024 /nfs/dbraw/zinc/01/70/24/557017024.db2.gz ZFCKDQFZEHECGX-UHFFFAOYSA-N 0 0 428.798 3.975 50 0 IHAARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023137330 557019436 /nfs/dbraw/zinc/01/94/36/557019436.db2.gz XLKSMUZSKBVYHZ-XQRVVYSFSA-N 0 0 439.562 3.958 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@@H]3CCCN(C(C)=O)C3)n2)cc1 ZINC000010744958 557023213 /nfs/dbraw/zinc/02/32/13/557023213.db2.gz FZHHNBWFCDULLB-KBXCAEBGSA-N 0 0 429.542 3.501 50 0 IHAARN Cc1ccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)nc2c1 ZINC000046031592 557024344 /nfs/dbraw/zinc/02/43/44/557024344.db2.gz MRPGFBIAKSFJMZ-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Br)cc1 ZINC000010765568 557025184 /nfs/dbraw/zinc/02/51/84/557025184.db2.gz CSBHKMHCCWHVIU-UHFFFAOYSA-N 0 0 443.388 3.615 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)n1CCC1=CCCCC1 ZINC000010795098 557027305 /nfs/dbraw/zinc/02/73/05/557027305.db2.gz RXEFREIQMWHUIT-UHFFFAOYSA-N 0 0 444.553 3.683 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(=O)N1CCc2ccccc21 ZINC000010812065 557029509 /nfs/dbraw/zinc/02/95/09/557029509.db2.gz KOKJZZAJQBJYPW-UHFFFAOYSA-N 0 0 428.492 3.564 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074545 557030664 /nfs/dbraw/zinc/03/06/64/557030664.db2.gz YNQAWSDIJKOGMJ-ZDUSSCGKSA-N 0 0 440.912 3.780 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000046075005 557031519 /nfs/dbraw/zinc/03/15/19/557031519.db2.gz LLGQZJQPFWIJNG-CQSZACIVSA-N 0 0 440.912 3.780 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000046079205 557034091 /nfs/dbraw/zinc/03/40/91/557034091.db2.gz DJWFQSGMSFSISP-OAHLLOKOSA-N 0 0 432.480 3.579 50 0 IHAARN O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000017190434 557035777 /nfs/dbraw/zinc/03/57/77/557035777.db2.gz CKEIVNRRGDFCOS-OAQYLSRUSA-N 0 0 445.972 3.775 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc3c2N1CCC3 ZINC000017178356 557037833 /nfs/dbraw/zinc/03/78/33/557037833.db2.gz YKSQDJNUPLQHMX-UHFFFAOYSA-N 0 0 432.545 3.980 50 0 IHAARN COc1ccccc1[C@@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccncc3)nn21 ZINC000017243941 557043780 /nfs/dbraw/zinc/04/37/80/557043780.db2.gz DRUUQQUBVVBQJQ-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN Cc1ccc(CC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)cc1 ZINC000033273614 557051731 /nfs/dbraw/zinc/05/17/31/557051731.db2.gz HROCRBXOFJANOF-UHFFFAOYSA-N 0 0 432.524 3.525 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4cccc(F)c4)CC3)s2)cc1 ZINC000033272861 557052923 /nfs/dbraw/zinc/05/29/23/557052923.db2.gz LWTNEUHBBKZCJG-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN COc1cc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(OC)cc1Cl ZINC000022937366 557053340 /nfs/dbraw/zinc/05/33/40/557053340.db2.gz AZDQONSHKNOUGV-RMKNXTFCSA-N 0 0 429.948 3.627 50 0 IHAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 ZINC000033274376 557053589 /nfs/dbraw/zinc/05/35/89/557053589.db2.gz GWZJNJBHKOUKFP-UHFFFAOYSA-N 0 0 427.439 3.792 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)cc1F ZINC000048288960 557054022 /nfs/dbraw/zinc/05/40/22/557054022.db2.gz OZDSYGGSXIOAFP-UHFFFAOYSA-N 0 0 431.895 3.681 50 0 IHAARN Fc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)n2)cc1 ZINC000010873228 557058467 /nfs/dbraw/zinc/05/84/67/557058467.db2.gz USLVYUXJWWGKSV-MRXNPFEDSA-N 0 0 430.509 3.539 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1C ZINC000023038999 557058753 /nfs/dbraw/zinc/05/87/53/557058753.db2.gz FBELKZRGMLVDOS-UHFFFAOYSA-N 0 0 430.507 3.534 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023041086 557059031 /nfs/dbraw/zinc/05/90/31/557059031.db2.gz GDTSSPUNBCPCAH-UHFFFAOYSA-N 0 0 426.460 3.551 50 0 IHAARN CCCCOc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(OC)cc2)cc1OC ZINC000048304192 557059207 /nfs/dbraw/zinc/05/92/07/557059207.db2.gz CEFGVCXBGJYWME-JOCHJYFZSA-N 0 0 442.556 3.686 50 0 IHAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O ZINC000023043388 557059490 /nfs/dbraw/zinc/05/94/90/557059490.db2.gz HIGPDGQVASAZHU-KOSHJBKYSA-N 0 0 447.516 3.927 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)cc1 ZINC000033284524 557063883 /nfs/dbraw/zinc/06/38/83/557063883.db2.gz HFNDJYGBBZKVRH-UHFFFAOYSA-N 0 0 431.521 3.699 50 0 IHAARN O=C(NCCc1ccccc1)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000032949178 557064508 /nfs/dbraw/zinc/06/45/08/557064508.db2.gz MLSCGFQHVRLMRB-UHFFFAOYSA-N 0 0 446.503 3.840 50 0 IHAARN CSc1nc(C(=O)OCc2cc3c(cc2Br)OCCO3)c2ccccn21 ZINC000048314730 557064669 /nfs/dbraw/zinc/06/46/69/557064669.db2.gz BFHDJJVETBDGKR-UHFFFAOYSA-N 0 0 435.299 3.947 50 0 IHAARN CCOc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000033291041 557069084 /nfs/dbraw/zinc/06/90/84/557069084.db2.gz FUQLAPMPCVKNTR-CQSZACIVSA-N 0 0 426.860 3.895 50 0 IHAARN CC(C)c1ccc(OCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1 ZINC000033290827 557069135 /nfs/dbraw/zinc/06/91/35/557069135.db2.gz NQYHDONZAPYHPE-INIZCTEOSA-N 0 0 438.459 3.870 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 ZINC000023161508 557070488 /nfs/dbraw/zinc/07/04/88/557070488.db2.gz JVHXPVZOOKALLQ-UHFFFAOYSA-N 0 0 442.487 3.745 50 0 IHAARN Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)ccc1F ZINC000048344870 557071729 /nfs/dbraw/zinc/07/17/29/557071729.db2.gz OAEBPIDKQAMPBI-MRXNPFEDSA-N 0 0 442.491 3.846 50 0 IHAARN Cc1occc1C(=O)Nc1cc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)ccc1F ZINC000048344872 557071953 /nfs/dbraw/zinc/07/19/53/557071953.db2.gz OAEBPIDKQAMPBI-INIZCTEOSA-N 0 0 442.491 3.846 50 0 IHAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000033297958 557073850 /nfs/dbraw/zinc/07/38/50/557073850.db2.gz QLUCQPVUGGHTEY-KAMYIIQDSA-N 0 0 425.510 3.980 50 0 IHAARN O=C1C[C@H](c2ccccc2)N(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCN1 ZINC000048365780 557074910 /nfs/dbraw/zinc/07/49/10/557074910.db2.gz PWVMSWWTOSQAPO-QGZVFWFLSA-N 0 0 425.583 3.998 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000033293190 557076199 /nfs/dbraw/zinc/07/61/99/557076199.db2.gz LTXBXSUHXGTBAF-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 ZINC000033293192 557076280 /nfs/dbraw/zinc/07/62/80/557076280.db2.gz SHLKLXGHQWWILA-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN O=C(CN1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1)N1CCCCCC1 ZINC000023248511 557078241 /nfs/dbraw/zinc/07/82/41/557078241.db2.gz ZGUOVTOBDJTNSC-UHFFFAOYSA-N 0 0 437.613 3.583 50 0 IHAARN CCn1c(=O)c2snc(-c3ccc(C)cc3)c2nc1SCC(=O)NC1CCCC1 ZINC000033300301 557079478 /nfs/dbraw/zinc/07/94/78/557079478.db2.gz CZTPLBKNGNXDLK-UHFFFAOYSA-N 0 0 428.583 3.999 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)c1 ZINC000033301676 557083259 /nfs/dbraw/zinc/08/32/59/557083259.db2.gz AXLDTESYXZZOTD-UHFFFAOYSA-N 0 0 448.523 3.592 50 0 IHAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(OC)cc(OC)c3)c2c1=O ZINC000048989483 557083438 /nfs/dbraw/zinc/08/34/38/557083438.db2.gz DWPRFPZBBQXSIB-UHFFFAOYSA-N 0 0 432.480 3.541 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2c1=O ZINC000048989153 557083485 /nfs/dbraw/zinc/08/34/85/557083485.db2.gz UBRJTRIWPNTUGI-UHFFFAOYSA-N 0 0 434.471 3.679 50 0 IHAARN CC(C)CCNC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 ZINC000033302418 557084056 /nfs/dbraw/zinc/08/40/56/557084056.db2.gz QYHXSBZOZUXXSB-UHFFFAOYSA-N 0 0 438.597 3.885 50 0 IHAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(Br)cc1 ZINC000049007881 557085951 /nfs/dbraw/zinc/08/59/51/557085951.db2.gz LZOZRXDVCHWNTO-UHFFFAOYSA-N 0 0 431.315 3.856 50 0 IHAARN O=S(=O)(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033306980 557086197 /nfs/dbraw/zinc/08/61/97/557086197.db2.gz LOAORJIBDDEOCM-UHFFFAOYSA-N 0 0 446.532 3.915 50 0 IHAARN O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccccc1F ZINC000049008892 557086848 /nfs/dbraw/zinc/08/68/48/557086848.db2.gz CKLTYECSRKXAGC-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)c(C)c1 ZINC000049009046 557086903 /nfs/dbraw/zinc/08/69/03/557086903.db2.gz LSPAPEDDRRLWRQ-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000023379824 557088636 /nfs/dbraw/zinc/08/86/36/557088636.db2.gz BIIFFBOJZBHFTF-XMMPIXPASA-N 0 0 444.535 3.788 50 0 IHAARN Cc1nc(NC(=O)Cc2csc(Nc3ccc(Cl)cn3)n2)sc1C(=O)N(C)C ZINC000049029715 557088980 /nfs/dbraw/zinc/08/89/80/557088980.db2.gz OEGXKFQHSOCNAW-UHFFFAOYSA-N 0 0 436.950 3.583 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)cc1Cl ZINC000033309022 557089816 /nfs/dbraw/zinc/08/98/16/557089816.db2.gz VQJJRQHETLKTPU-UHFFFAOYSA-N 0 0 444.278 3.937 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)cc1 ZINC000049002242 557089899 /nfs/dbraw/zinc/08/98/99/557089899.db2.gz DUIWVIIQSUSEOH-UHFFFAOYSA-N 0 0 446.551 3.778 50 0 IHAARN CN(C)C(=O)[C@@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017481233 557090823 /nfs/dbraw/zinc/09/08/23/557090823.db2.gz VPUDWZBAYCHJMV-DEOSSOPVSA-N 0 0 440.503 3.980 50 0 IHAARN COc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023411301 557091336 /nfs/dbraw/zinc/09/13/36/557091336.db2.gz SPHFRXGNJPTDTH-OAQYLSRUSA-N 0 0 427.464 3.557 50 0 IHAARN CCc1ccc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccncc2)cc1 ZINC000049003480 557091428 /nfs/dbraw/zinc/09/14/28/557091428.db2.gz VPSWGLRTDMSPSF-UHFFFAOYSA-N 0 0 438.535 3.854 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2cccnc2)c1 ZINC000049003691 557091732 /nfs/dbraw/zinc/09/17/32/557091732.db2.gz JLMDUUJVTUYECS-UHFFFAOYSA-N 0 0 447.470 3.724 50 0 IHAARN Cc1ccc(-c2ccc3nn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n3n2)cc1C ZINC000033309434 557092937 /nfs/dbraw/zinc/09/29/37/557092937.db2.gz WSFORQIDBFPLRJ-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN Cc1c(O)ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)cc(=O)oc12 ZINC000023524356 557095928 /nfs/dbraw/zinc/09/59/28/557095928.db2.gz HPWQCOTWBAXWJE-SFHVURJKSA-N 0 0 437.477 3.740 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1ccc(F)cc1Cl ZINC000033312803 557097171 /nfs/dbraw/zinc/09/71/71/557097171.db2.gz ALOQOMSPIBPUKK-HSZRJFAPSA-N 0 0 443.950 3.707 50 0 IHAARN CC1CCN(C(=O)[C@@H]2c3ccccc3CCN2CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000033312856 557097687 /nfs/dbraw/zinc/09/76/87/557097687.db2.gz QMMJWHULJIYOTI-QHCPKHFHSA-N 0 0 427.495 3.761 50 0 IHAARN Cc1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)ccc1Br ZINC000010917207 557099139 /nfs/dbraw/zinc/09/91/39/557099139.db2.gz OWIICCNKNHHJDL-UHFFFAOYSA-N 0 0 431.377 3.858 50 0 IHAARN Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000049406277 557099749 /nfs/dbraw/zinc/09/97/49/557099749.db2.gz GRGQGXPGYKIUSU-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccccc1Cl ZINC000049406283 557099777 /nfs/dbraw/zinc/09/97/77/557099777.db2.gz PKASDHFZNMGVJK-UHFFFAOYSA-N 0 0 444.322 3.609 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023605891 557101133 /nfs/dbraw/zinc/10/11/33/557101133.db2.gz BDUUMRIFGFNQKW-UHFFFAOYSA-N 0 0 433.489 3.695 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000017596642 557102524 /nfs/dbraw/zinc/10/25/24/557102524.db2.gz QYVDGNWNIWSNLZ-UHFFFAOYSA-N 0 0 435.432 3.616 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3cccc(OC)c3)c3ccc(F)cc3)cn21 ZINC000049408548 557103324 /nfs/dbraw/zinc/10/33/24/557103324.db2.gz RVAWQHIBVFRZIA-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1Cc1ccccc1 ZINC000033320876 557104527 /nfs/dbraw/zinc/10/45/27/557104527.db2.gz FGVHBRLHTGPBOR-FGZHOGPDSA-N 0 0 441.531 3.992 50 0 IHAARN Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3ccc(Br)cc3)CC1)N2C ZINC000049410021 557105541 /nfs/dbraw/zinc/10/55/41/557105541.db2.gz MSUDQVDRPLJZOZ-UHFFFAOYSA-N 0 0 428.330 3.570 50 0 IHAARN CCc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 ZINC000049411502 557106642 /nfs/dbraw/zinc/10/66/42/557106642.db2.gz PPBRLLNDNAKNTL-UHFFFAOYSA-N 0 0 440.500 3.522 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000033326860 557108572 /nfs/dbraw/zinc/10/85/72/557108572.db2.gz GPZHHQLERBZJDH-UHFFFAOYSA-N 0 0 439.541 3.938 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 ZINC000585148044 557108751 /nfs/dbraw/zinc/10/87/51/557108751.db2.gz MWGASTNMILSNNZ-CYBMUJFWSA-N 0 0 436.942 3.927 50 0 IHAARN O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000585148082 557109147 /nfs/dbraw/zinc/10/91/47/557109147.db2.gz OMRJYXBKXQTHOQ-UHFFFAOYSA-N 0 0 439.562 3.901 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCCOC1CCCCC1 ZINC000011355916 557110464 /nfs/dbraw/zinc/11/04/64/557110464.db2.gz ZNBHKWQYQDJLTQ-UHFFFAOYSA-N 0 0 436.618 3.649 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)c1 ZINC000011355350 557110684 /nfs/dbraw/zinc/11/06/84/557110684.db2.gz YWMBVSNUUJYACC-QGZVFWFLSA-N 0 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ZINC000049579029 557113854 /nfs/dbraw/zinc/11/38/54/557113854.db2.gz WTACHRIABLJZAY-UHFFFAOYSA-N 0 0 437.433 3.822 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)CC1 ZINC000011368723 557114588 /nfs/dbraw/zinc/11/45/88/557114588.db2.gz AIPJEOUSYBBRAZ-UHFFFAOYSA-N 0 0 434.587 3.792 50 0 IHAARN CCSc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C)s1 ZINC000017750982 557115658 /nfs/dbraw/zinc/11/56/58/557115658.db2.gz KPKRPMNLJNRITR-UHFFFAOYSA-N 0 0 431.572 3.658 50 0 IHAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000006375044 557118380 /nfs/dbraw/zinc/11/83/80/557118380.db2.gz VMMCQVBPGRFNOY-OAQYLSRUSA-N 0 0 426.561 3.552 50 0 IHAARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018454533 557121246 /nfs/dbraw/zinc/12/12/46/557121246.db2.gz TXGZPOXNJVCESO-VIFPVBQESA-N 0 0 437.403 3.549 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000023882235 557123207 /nfs/dbraw/zinc/12/32/07/557123207.db2.gz HVFIZFLEFRGRMA-UHFFFAOYSA-N 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CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1 ZINC000011453883 557150462 /nfs/dbraw/zinc/15/04/62/557150462.db2.gz JSVVIWPXCSQHKG-UHFFFAOYSA-N 0 0 435.549 3.995 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000024538307 557150801 /nfs/dbraw/zinc/15/08/01/557150801.db2.gz ZOHJVYSTQXWYRC-AEFFLSMTSA-N 0 0 432.952 3.926 50 0 IHAARN Cc1ccccc1CSCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024606308 557153069 /nfs/dbraw/zinc/15/30/69/557153069.db2.gz HMJBAFIFMDCMBF-UHFFFAOYSA-N 0 0 438.640 3.507 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957274 557154138 /nfs/dbraw/zinc/15/41/38/557154138.db2.gz YQYVJDUDQCMDQZ-UHFFFAOYSA-N 0 0 438.933 3.538 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 ZINC000024609198 557154240 /nfs/dbraw/zinc/15/42/40/557154240.db2.gz WQNIRYHWDVXOBQ-UHFFFAOYSA-N 0 0 438.659 3.719 50 0 IHAARN Cc1cc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)n(C)n1 ZINC000011502378 557155128 /nfs/dbraw/zinc/15/51/28/557155128.db2.gz LODDACSPFZCPSC-UHFFFAOYSA-N 0 0 429.480 3.685 50 0 IHAARN CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cs1 ZINC000011508715 557155364 /nfs/dbraw/zinc/15/53/64/557155364.db2.gz JNDJUHKSMUPAKG-UHFFFAOYSA-N 0 0 434.521 3.646 50 0 IHAARN CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC000011517592 557156752 /nfs/dbraw/zinc/15/67/52/557156752.db2.gz JOOSRRFCHWEJOW-UHFFFAOYSA-N 0 0 432.455 3.531 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000010952298 557157265 /nfs/dbraw/zinc/15/72/65/557157265.db2.gz KBHNIBFVWLRSPY-SFHVURJKSA-N 0 0 440.887 3.818 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 ZINC000004816195 557160245 /nfs/dbraw/zinc/16/02/45/557160245.db2.gz YCKUEKDJRQMWSJ-UHFFFAOYSA-N 0 0 426.586 3.592 50 0 IHAARN COc1ccc(C)cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929357 557161916 /nfs/dbraw/zinc/16/19/16/557161916.db2.gz PLZGJEYLBSWNFU-HSZRJFAPSA-N 0 0 428.492 3.965 50 0 IHAARN COc1ccc(CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4)o3)CC2)cc1F ZINC000024752635 557162718 /nfs/dbraw/zinc/16/27/18/557162718.db2.gz SBMJEQAQAHMANS-UHFFFAOYSA-N 0 0 441.478 3.905 50 0 IHAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc2OC)cc1 ZINC000024754102 557162946 /nfs/dbraw/zinc/16/29/46/557162946.db2.gz IRGBDYXWUXOOEU-UHFFFAOYSA-N 0 0 447.534 3.575 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000024757804 557163639 /nfs/dbraw/zinc/16/36/39/557163639.db2.gz GRYPFWAKEKVTGW-QZTJIDSGSA-N 0 0 447.576 3.673 50 0 IHAARN O=S(=O)(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(Cl)ccc1Cl ZINC000206791659 557163748 /nfs/dbraw/zinc/16/37/48/557163748.db2.gz YMXGWFFTRPFAIZ-GFCCVEGCSA-N 0 0 440.274 3.964 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)ccc2c1 ZINC000024834230 557166477 /nfs/dbraw/zinc/16/64/77/557166477.db2.gz NAPPFMHEGYZSPQ-UHFFFAOYSA-N 0 0 440.565 3.744 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000000751861 557168204 /nfs/dbraw/zinc/16/82/04/557168204.db2.gz BUXJHRQSEVIZEP-UHFFFAOYSA-N 0 0 435.571 3.581 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000024808727 557168306 /nfs/dbraw/zinc/16/83/06/557168306.db2.gz YLZHKBWWIKLMTL-YEJXKQKISA-N 0 0 449.338 3.533 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)o2)cc1 ZINC000018480239 557169269 /nfs/dbraw/zinc/16/92/69/557169269.db2.gz MOUXSMXOEDZANZ-PXAZEXFGSA-N 0 0 425.466 3.853 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000000755312 557170146 /nfs/dbraw/zinc/17/01/46/557170146.db2.gz XUKNBGWROSJTAH-UHFFFAOYSA-N 0 0 430.551 3.872 50 0 IHAARN CC(C)c1ccc([C@@H](NC(=O)Cn2nnn(-c3cccs3)c2=O)c2cccs2)cc1 ZINC000024840016 557173328 /nfs/dbraw/zinc/17/33/28/557173328.db2.gz GCLCDLOVZHVFEC-HXUWFJFHSA-N 0 0 439.566 3.581 50 0 IHAARN Cc1ccnn1-c1ccc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1 ZINC000069926919 557175987 /nfs/dbraw/zinc/17/59/87/557175987.db2.gz UDXOFYHBAKVQHU-UHFFFAOYSA-N 0 0 429.524 3.720 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000024883933 557177018 /nfs/dbraw/zinc/17/70/18/557177018.db2.gz UXKWETDEDLNSGD-ZDUSSCGKSA-N 0 0 438.586 3.741 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 ZINC000024923686 557178977 /nfs/dbraw/zinc/17/89/77/557178977.db2.gz URNUMYTWKNWOBV-HZPDHXFCSA-N 0 0 440.540 3.640 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000783538 557179995 /nfs/dbraw/zinc/17/99/95/557179995.db2.gz PTUXWFAUDXVWBH-UHFFFAOYSA-N 0 0 444.962 3.502 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000024928359 557180367 /nfs/dbraw/zinc/18/03/67/557180367.db2.gz SYRSRFSMSANKPI-XZOQPEGZSA-N 0 0 449.482 3.724 50 0 IHAARN COc1ccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000097985889 557182488 /nfs/dbraw/zinc/18/24/88/557182488.db2.gz ZCUDIXBHGCBAED-LDADJPATSA-N 0 0 446.912 3.580 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)c1 ZINC000009225981 557183650 /nfs/dbraw/zinc/18/36/50/557183650.db2.gz CFWUSHHPBTXPMW-UHFFFAOYSA-N 0 0 427.530 3.744 50 0 IHAARN CCc1ccc([C@@H](C)NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000024978089 557184925 /nfs/dbraw/zinc/18/49/25/557184925.db2.gz NHBFFLQTUZXYQK-CQSZACIVSA-N 0 0 428.330 3.989 50 0 IHAARN CN(CC(=O)NC(=O)c1ccc[nH]1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024983295 557185592 /nfs/dbraw/zinc/18/55/92/557185592.db2.gz GTXZYEAORPPZIJ-UHFFFAOYSA-N 0 0 447.926 3.909 50 0 IHAARN CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)Cc1ccc(Br)cc1F ZINC000072232392 557194535 /nfs/dbraw/zinc/19/45/35/557194535.db2.gz CNLYTWCSJWAARU-HNNXBMFYSA-N 0 0 444.322 3.580 50 0 IHAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000025139775 557196531 /nfs/dbraw/zinc/19/65/31/557196531.db2.gz ONYFBWKDGMWGJD-GOSISDBHSA-N 0 0 447.583 3.621 50 0 IHAARN COC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)c1c(F)cccc1F ZINC000100876396 557197690 /nfs/dbraw/zinc/19/76/90/557197690.db2.gz JGIOUBMMPXZLKL-FXBPSFAMSA-N 0 0 441.253 3.658 50 0 IHAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Cl)s1)n2CC(=O)OC ZINC000100876154 557197728 /nfs/dbraw/zinc/19/77/28/557197728.db2.gz MZAFGRVKBKMOFF-ZZEZOPTASA-N 0 0 438.914 3.509 50 0 IHAARN CC(=O)N1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000025329382 557204589 /nfs/dbraw/zinc/20/45/89/557204589.db2.gz GWIFFRCONHCAFV-OAQYLSRUSA-N 0 0 437.367 3.624 50 0 IHAARN O=C(CN1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1)Nc1ccccc1 ZINC000011586460 557204790 /nfs/dbraw/zinc/20/47/90/557204790.db2.gz NDUGQPIBUBIYBR-UHFFFAOYSA-N 0 0 430.552 3.880 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100949068 557206150 /nfs/dbraw/zinc/20/61/50/557206150.db2.gz PMKYGGLEQLWWKE-UWJYYQICSA-N 0 0 441.553 3.510 50 0 IHAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000025370937 557206280 /nfs/dbraw/zinc/20/62/80/557206280.db2.gz JBGPEAVEYVERNT-UHFFFAOYSA-N 0 0 427.473 3.826 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)cc1 ZINC000169618801 557208204 /nfs/dbraw/zinc/20/82/04/557208204.db2.gz OZENKDBZZCUWAR-RVHYNSKXSA-N 0 0 435.476 3.661 50 0 IHAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)CC3 ZINC000025543587 557213687 /nfs/dbraw/zinc/21/36/87/557213687.db2.gz JBTWFJBMBOTRDA-QHCPKHFHSA-N 0 0 427.504 3.995 50 0 IHAARN Cc1cc(Cl)cc2s/c(=N/C(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c21 ZINC000101037225 557214980 /nfs/dbraw/zinc/21/49/80/557214980.db2.gz JHIZLBLTNOJQED-DYTRJAOYSA-N 0 0 426.922 3.632 50 0 IHAARN CCOC(=O)Cc1nnc(SCc2noc(-c3ccc(C)cc3)n2)n1Cc1ccco1 ZINC000025581542 557216369 /nfs/dbraw/zinc/21/63/69/557216369.db2.gz RDUZOUDXUXEDQO-UHFFFAOYSA-N 0 0 439.497 3.676 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000025610173 557219406 /nfs/dbraw/zinc/21/94/06/557219406.db2.gz VQQDIRIXVHKLDV-UHFFFAOYSA-N 0 0 442.972 3.861 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)c3c(C)noc3n2)s1 ZINC000025759506 557224463 /nfs/dbraw/zinc/22/44/63/557224463.db2.gz SHSINAVLDQIJBD-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000010868576 557224586 /nfs/dbraw/zinc/22/45/86/557224586.db2.gz VHHRYVRZJILWJS-RUDMXATFSA-N 0 0 434.286 3.970 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1)[C@H]1CCCO1 ZINC000025807185 557227121 /nfs/dbraw/zinc/22/71/21/557227121.db2.gz MKPQUVSMFCBCGO-IFMALSPDSA-N 0 0 436.508 3.943 50 0 IHAARN CCc1ccc(-c2nc(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000025818248 557227820 /nfs/dbraw/zinc/22/78/20/557227820.db2.gz NNKZCZJDALTXNG-IBGZPJMESA-N 0 0 444.578 3.724 50 0 IHAARN Cc1nn(C)c2ncc(NC(=O)CCc3c(C)nc(SCc4ccccc4)[nH]c3=O)cc12 ZINC000069950351 557232573 /nfs/dbraw/zinc/23/25/73/557232573.db2.gz QMWSSPJJFOPACC-UHFFFAOYSA-N 0 0 448.552 3.532 50 0 IHAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 ZINC000026069438 557233312 /nfs/dbraw/zinc/23/33/12/557233312.db2.gz CWVHQSWFGOWVMF-HYBUGGRVSA-N 0 0 432.549 3.610 50 0 IHAARN COc1cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl ZINC000018042514 557234338 /nfs/dbraw/zinc/23/43/38/557234338.db2.gz VWKXYJYAUBETEV-ZXPDZVFASA-N 0 0 431.924 3.586 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(Nc1ccccc1C(=O)OC)n(-c1ccccc1)c2=O ZINC000098212129 557235489 /nfs/dbraw/zinc/23/54/89/557235489.db2.gz SNTXKHMQPFTPPA-UHFFFAOYSA-N 0 0 429.432 3.703 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)CCc4cccc(OC)c4)CC3)n[nH]2)cc1 ZINC000098212785 557235978 /nfs/dbraw/zinc/23/59/78/557235978.db2.gz IOYCJJZELSBXGO-UHFFFAOYSA-N 0 0 434.540 3.812 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)cc1 ZINC000026131545 557236054 /nfs/dbraw/zinc/23/60/54/557236054.db2.gz DKJOCIRXMVIDFE-UHFFFAOYSA-N 0 0 435.480 3.701 50 0 IHAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2cnccn2)CC1 ZINC000026148868 557236465 /nfs/dbraw/zinc/23/64/65/557236465.db2.gz WZVRWYNLOJVMQR-IBGZPJMESA-N 0 0 432.553 3.683 50 0 IHAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000583649194 557240415 /nfs/dbraw/zinc/24/04/15/557240415.db2.gz KBSSZVFRGRQXHO-QHCPKHFHSA-N 0 0 444.491 3.852 50 0 IHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ncn(C[C@H](O)c2ccc(F)cc2)n1 ZINC000583649648 557240642 /nfs/dbraw/zinc/24/06/42/557240642.db2.gz RIWMYUHAHOYKGQ-QFIPXVFZSA-N 0 0 432.455 3.982 50 0 IHAARN COc1cc(NC(=O)NCCn2c3ccccc3nc2C(F)(F)F)cc(OC)c1OC ZINC000032951207 557241933 /nfs/dbraw/zinc/24/19/33/557241933.db2.gz REQSOKMHZLPNDW-UHFFFAOYSA-N 0 0 438.406 3.903 50 0 IHAARN Cc1cc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)s1 ZINC000018127973 557242160 /nfs/dbraw/zinc/24/21/60/557242160.db2.gz VPXRVWNTHUMLCL-UHFFFAOYSA-N 0 0 441.597 3.728 50 0 IHAARN Cc1cc(C(=O)CN(C)Cc2c(F)cccc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000026481479 557242611 /nfs/dbraw/zinc/24/26/11/557242611.db2.gz OVFLWJHARHMZOO-HNNXBMFYSA-N 0 0 426.941 3.572 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018160309 557244187 /nfs/dbraw/zinc/24/41/87/557244187.db2.gz GBFNYTDCNGUPAK-INIZCTEOSA-N 0 0 436.961 3.598 50 0 IHAARN Cn1c2ccc(S(=O)(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cc2oc1=O ZINC000026543984 557244464 /nfs/dbraw/zinc/24/44/64/557244464.db2.gz WILGLOPMSLCDIH-UHFFFAOYSA-N 0 0 428.441 3.650 50 0 IHAARN Cc1cc(OC2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)nc(C)n1 ZINC000390828496 557245544 /nfs/dbraw/zinc/24/55/44/557245544.db2.gz RJENLYMNDMWGAV-UHFFFAOYSA-N 0 0 430.357 3.941 50 0 IHAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3cccc(C(=O)N(C)C)c3)c(=O)c12 ZINC000026639445 557245849 /nfs/dbraw/zinc/24/58/49/557245849.db2.gz MMMBCWCGTSLVMN-UHFFFAOYSA-N 0 0 446.532 3.774 50 0 IHAARN Cc1ccc([C@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c2cccs2)cc1 ZINC000026911963 557250885 /nfs/dbraw/zinc/25/08/85/557250885.db2.gz PZUXVEHHOSQFPI-NRFANRHFSA-N 0 0 429.586 3.815 50 0 IHAARN Cn1ccc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)ccc21 ZINC000604419552 557251531 /nfs/dbraw/zinc/25/15/31/557251531.db2.gz BZXKVOMHEICMOA-XMMPIXPASA-N 0 0 436.471 3.932 50 0 IHAARN COc1cc(CCNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)ccc1OC(F)F ZINC000018205074 557251990 /nfs/dbraw/zinc/25/19/90/557251990.db2.gz VLIUZDXTDRRRKM-UHFFFAOYSA-N 0 0 448.495 3.511 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)c1ccccc1 ZINC000026940265 557252165 /nfs/dbraw/zinc/25/21/65/557252165.db2.gz MGMCLDKEOGZFSP-QFIPXVFZSA-N 0 0 443.546 3.589 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303245 557260004 /nfs/dbraw/zinc/26/00/04/557260004.db2.gz PHUUXOIGXQDDLY-LBPRGKRZSA-N 0 0 429.389 3.716 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)c1 ZINC000027371165 557261262 /nfs/dbraw/zinc/26/12/62/557261262.db2.gz BKGDCIZIRIGTJD-INIZCTEOSA-N 0 0 428.514 3.548 50 0 IHAARN COc1ccc(CNC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nn[nH]n2)cc1 ZINC000027562013 557265463 /nfs/dbraw/zinc/26/54/63/557265463.db2.gz JXARTQRSRRNOFJ-LDADJPATSA-N 0 0 435.871 3.979 50 0 IHAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 ZINC000000823181 557268825 /nfs/dbraw/zinc/26/88/25/557268825.db2.gz WDIAXPDCLROMOV-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccccc1C(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027745677 557272490 /nfs/dbraw/zinc/27/24/90/557272490.db2.gz DXINLJMUFNLEBV-OAHLLOKOSA-N 0 0 428.337 3.832 50 0 IHAARN COc1ccc(CN2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1 ZINC000022919656 557273286 /nfs/dbraw/zinc/27/32/86/557273286.db2.gz UUUFPASLLAWYDR-UHFFFAOYSA-N 0 0 436.600 3.832 50 0 IHAARN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100889318 557277934 /nfs/dbraw/zinc/27/79/34/557277934.db2.gz XDXJZBUCGIEITE-ZRBLBEILSA-N 0 0 442.471 3.520 50 0 IHAARN COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000101377073 557281397 /nfs/dbraw/zinc/28/13/97/557281397.db2.gz YPWKFEKPDJQBHJ-MRXNPFEDSA-N 0 0 438.513 3.953 50 0 IHAARN CCc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)cc1 ZINC000101500894 557289893 /nfs/dbraw/zinc/28/98/93/557289893.db2.gz LVKWBVAJMIWIKJ-UHFFFAOYSA-N 0 0 436.541 3.533 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1F ZINC000101628048 557293016 /nfs/dbraw/zinc/29/30/16/557293016.db2.gz YZKLHHYFAPKJPA-OALUTQOASA-N 0 0 444.528 3.919 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101710692 557294157 /nfs/dbraw/zinc/29/41/57/557294157.db2.gz NRIWYGHUGYZFML-NRFANRHFSA-N 0 0 441.553 3.846 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2n[nH]c(=O)c3ccccc32)cs1)c1ccccc1F ZINC000014071224 557297638 /nfs/dbraw/zinc/29/76/38/557297638.db2.gz NPNCLHKJGQUFDA-UHFFFAOYSA-N 0 0 438.440 3.560 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000014110775 557303996 /nfs/dbraw/zinc/30/39/96/557303996.db2.gz XEPSNISNFDMHTP-JOCHJYFZSA-N 0 0 445.972 3.706 50 0 IHAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3OC)C(=O)C2)c1 ZINC000101881841 557305713 /nfs/dbraw/zinc/30/57/13/557305713.db2.gz MAYQWTIWJORQPR-UHFFFAOYSA-N 0 0 430.464 3.595 50 0 IHAARN COc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccccc3)CC2=O)c(OC)c1 ZINC000101882020 557305731 /nfs/dbraw/zinc/30/57/31/557305731.db2.gz SCKSGJLSWIGDAK-UHFFFAOYSA-N 0 0 430.464 3.595 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102745170 557306903 /nfs/dbraw/zinc/30/69/03/557306903.db2.gz APCQXTIDZHXIQX-FQEVSTJZSA-N 0 0 427.526 3.502 50 0 IHAARN CCOc1ccc(-c2nc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cs2)cc1 ZINC000032315658 557313015 /nfs/dbraw/zinc/31/30/15/557313015.db2.gz VGSVTHHJDFAEAB-UHFFFAOYSA-N 0 0 426.523 3.779 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000014179820 557313846 /nfs/dbraw/zinc/31/38/46/557313846.db2.gz IWOXIWWEEJLLNZ-KRWDZBQOSA-N 0 0 441.322 3.770 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2csc(-c3cccs3)n2)C1=O ZINC000014184879 557314235 /nfs/dbraw/zinc/31/42/35/557314235.db2.gz MELJBYPLHMQECL-HXUWFJFHSA-N 0 0 427.507 3.610 50 0 IHAARN O=C(CNC(=O)c1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000014183162 557314237 /nfs/dbraw/zinc/31/42/37/557314237.db2.gz VJVKPARMWZKGKG-UHFFFAOYSA-N 0 0 449.501 3.628 50 0 IHAARN NC(=O)C1CCN(C(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)CC1 ZINC000103545151 557316151 /nfs/dbraw/zinc/31/61/51/557316151.db2.gz FISAZFAMSDZKPZ-XMMPIXPASA-N 0 0 448.523 3.633 50 0 IHAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000023646811 557316781 /nfs/dbraw/zinc/31/67/81/557316781.db2.gz CZTDNNDUESCVGH-HSZRJFAPSA-N 0 0 448.544 3.687 50 0 IHAARN O=C(Nc1cccc(I)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024433075 557317228 /nfs/dbraw/zinc/31/72/28/557317228.db2.gz VCIMOVYXJAJAFS-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000102288699 557317514 /nfs/dbraw/zinc/31/75/14/557317514.db2.gz CFWORMHLUNYBFJ-CALCHBBNSA-N 0 0 433.489 3.978 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000014201400 557317680 /nfs/dbraw/zinc/31/76/80/557317680.db2.gz ARNBTPHFYAHXEG-XMMPIXPASA-N 0 0 428.536 3.836 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCCN2CCCC2=O)cc1 ZINC000032974912 557320027 /nfs/dbraw/zinc/32/00/27/557320027.db2.gz IFLSULNGIDLAAM-UHFFFAOYSA-N 0 0 430.552 3.909 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCCc3ccco3)c2=O)cc1 ZINC000033006860 557320574 /nfs/dbraw/zinc/32/05/74/557320574.db2.gz OCCBKJBYVXPIGL-UHFFFAOYSA-N 0 0 433.533 3.797 50 0 IHAARN CCCNC(=O)Nc1ccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 ZINC000032996255 557321872 /nfs/dbraw/zinc/32/18/72/557321872.db2.gz BNCQUBHMEZEHLP-UHFFFAOYSA-N 0 0 441.875 3.847 50 0 IHAARN Cn1c2cc(NC(=O)Cc3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c(=O)c1=O ZINC000033265686 557328262 /nfs/dbraw/zinc/32/82/62/557328262.db2.gz GCNWJLYOOPARET-UHFFFAOYSA-N 0 0 449.894 3.864 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033271994 557328584 /nfs/dbraw/zinc/32/85/84/557328584.db2.gz GSQFSERQVBUKAA-UHFFFAOYSA-N 0 0 436.489 3.839 50 0 IHAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)NCc3cccc(OC)c3)n2)cc1 ZINC000033300914 557331005 /nfs/dbraw/zinc/33/10/05/557331005.db2.gz HHDVBKWXLYOZND-UHFFFAOYSA-N 0 0 447.520 3.513 50 0 IHAARN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1ccc3c(c1)OCO3)CC2 ZINC000014541846 557340532 /nfs/dbraw/zinc/34/05/32/557340532.db2.gz FMBIEVIAGHPBEQ-UHFFFAOYSA-N 0 0 447.535 3.980 50 0 IHAARN Cc1nn(-c2nc(C)c(C(=O)N3CCOCC3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000014608894 557344900 /nfs/dbraw/zinc/34/49/00/557344900.db2.gz NOEQCLAVRGQAAB-UHFFFAOYSA-N 0 0 430.961 3.971 50 0 IHAARN O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000023333281 557347366 /nfs/dbraw/zinc/34/73/66/557347366.db2.gz FAPGCBJOOUCGIV-UHFFFAOYSA-N 0 0 440.956 3.689 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000102570092 557354846 /nfs/dbraw/zinc/35/48/46/557354846.db2.gz UNIVTLIREBHSFL-HZPDHXFCSA-N 0 0 449.454 3.642 50 0 IHAARN COc1cccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023431555 557355495 /nfs/dbraw/zinc/35/54/95/557355495.db2.gz CFHQEBYWFLVOOR-DEOSSOPVSA-N 0 0 440.540 3.930 50 0 IHAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102586670 557355846 /nfs/dbraw/zinc/35/58/46/557355846.db2.gz CYXIWMMECLFHTN-VWPQPMDRSA-N 0 0 448.519 3.687 50 0 IHAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102743883 557377116 /nfs/dbraw/zinc/37/71/16/557377116.db2.gz UIBYGIRRCNPPCR-DNVJHFABSA-N 0 0 430.460 3.842 50 0 IHAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)n1 ZINC000011695404 557393236 /nfs/dbraw/zinc/39/32/36/557393236.db2.gz CRUQAPMJKWCOPJ-UHFFFAOYSA-N 0 0 445.508 3.566 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000013955771 557397544 /nfs/dbraw/zinc/39/75/44/557397544.db2.gz OCTLHFYRVAEWDG-AEFFLSMTSA-N 0 0 429.590 3.575 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013955921 557397808 /nfs/dbraw/zinc/39/78/08/557397808.db2.gz SRSFOVUDLGNQGR-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000034380148 557418528 /nfs/dbraw/zinc/41/85/28/557418528.db2.gz TVGKUGGUPLPVIQ-DXBBTUNJSA-N 0 0 430.504 3.826 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)c2cc3ccccc3o2)cc1 ZINC000033620731 557425522 /nfs/dbraw/zinc/42/55/22/557425522.db2.gz QJZCKYFVVBYMIC-KAMYIIQDSA-N 0 0 441.505 3.903 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@H]1C ZINC000103248603 557428672 /nfs/dbraw/zinc/42/86/72/557428672.db2.gz DRZAZUIDDDGNPV-JRPNMDOOSA-N 0 0 428.389 3.999 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@H]1C ZINC000103248606 557428680 /nfs/dbraw/zinc/42/86/80/557428680.db2.gz DRZAZUIDDDGNPV-ZETOZRRWSA-N 0 0 428.389 3.999 50 0 IHAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103588927 557439886 /nfs/dbraw/zinc/43/98/86/557439886.db2.gz FODNERFBGCBROE-KDURUIRLSA-N 0 0 448.498 3.953 50 0 IHAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccccc1Cl)N1CCN(CCO)CC1)CCCC2 ZINC000096300454 557451095 /nfs/dbraw/zinc/45/10/95/557451095.db2.gz RPYVUYHYRPFSGD-JOCHJYFZSA-N 0 0 448.032 3.938 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097097681 557452483 /nfs/dbraw/zinc/45/24/83/557452483.db2.gz QKJQGACPPHNZRH-JOCHJYFZSA-N 0 0 438.959 3.704 50 0 IHAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(-c2cc(C)cc(C)c2)c1=O)c1ccccc1 ZINC000051316088 557464141 /nfs/dbraw/zinc/46/41/41/557464141.db2.gz FGLTVYORUBVBAW-UHFFFAOYSA-N 0 0 427.504 3.822 50 0 IHAARN CCOc1ccc(CCNS(=O)(=O)c2ccccc2Br)cc1OCC ZINC000016094341 557469285 /nfs/dbraw/zinc/46/92/85/557469285.db2.gz BCBIEVLOGXSYIP-UHFFFAOYSA-N 0 0 428.348 3.768 50 0 IHAARN Cc1noc(C)c1CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 ZINC000046815730 557513020 /nfs/dbraw/zinc/51/30/20/557513020.db2.gz IJZZARYQPYPMKB-RUZDIDTESA-N 0 0 443.551 3.943 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(F)cc2F)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914047 557513498 /nfs/dbraw/zinc/51/34/98/557513498.db2.gz QRDUGVSVMVCXNF-UHFFFAOYSA-N 0 0 442.451 3.821 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)c2cccc(I)c2)cc1 ZINC000002989913 557522971 /nfs/dbraw/zinc/52/29/71/557522971.db2.gz KHSPJIBVTQHGCS-UHFFFAOYSA-N 0 0 436.245 3.989 50 0 IHAARN CCOC(=O)CCNC(=O)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 ZINC000012072782 557527070 /nfs/dbraw/zinc/52/70/70/557527070.db2.gz DBVRCFQTBPQLFA-UHFFFAOYSA-N 0 0 429.904 3.613 50 0 IHAARN CC(C)c1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000012080574 557527262 /nfs/dbraw/zinc/52/72/62/557527262.db2.gz TUZDXMKMKWGDHN-UHFFFAOYSA-N 0 0 445.566 3.693 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000106535383 557530122 /nfs/dbraw/zinc/53/01/22/557530122.db2.gz ZXOODZDVQKLXTF-CLAROIROSA-N 0 0 436.895 3.761 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105413 557534311 /nfs/dbraw/zinc/53/43/11/557534311.db2.gz UXZRVONPBRPDKO-QGZVFWFLSA-N 0 0 431.407 3.803 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000045896412 557545978 /nfs/dbraw/zinc/54/59/78/557545978.db2.gz URNMGECZSCRFTF-UHFFFAOYSA-N 0 0 440.887 3.560 50 0 IHAARN CSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000045895455 557546522 /nfs/dbraw/zinc/54/65/22/557546522.db2.gz HDFCJWKQAWHCGR-UHFFFAOYSA-N 0 0 448.508 3.746 50 0 IHAARN CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N(CC)CC)cc32)cc1 ZINC000045960797 557554826 /nfs/dbraw/zinc/55/48/26/557554826.db2.gz UGLVDJZTAHDNQX-UHFFFAOYSA-N 0 0 425.554 3.808 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CCCCC3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974034 557555920 /nfs/dbraw/zinc/55/59/20/557555920.db2.gz KSADVSYOOQIBJN-UHFFFAOYSA-N 0 0 431.577 3.888 50 0 IHAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)Nc1ccccc1F ZINC000045970720 557558020 /nfs/dbraw/zinc/55/80/20/557558020.db2.gz FDCAWIGDAIIBID-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN Cc1cccc(N2CCC(NS(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)n1 ZINC000225393252 557718116 /nfs/dbraw/zinc/71/81/16/557718116.db2.gz JUYOWTJEZLLYBS-UHFFFAOYSA-N 0 0 449.536 3.541 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000225414556 557720215 /nfs/dbraw/zinc/72/02/15/557720215.db2.gz KAZCOCJQGQOORQ-QAPCUYQASA-N 0 0 436.478 3.877 50 0 IHAARN COc1ccccc1C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccco1 ZINC000225518737 557734346 /nfs/dbraw/zinc/73/43/46/557734346.db2.gz ZYANVAPPKOXNBO-IBGZPJMESA-N 0 0 439.493 3.651 50 0 IHAARN COc1cccc(CC(=O)NCc2ccc([C@H](C)NC(=O)Cc3cccc(OC)c3)cc2)c1 ZINC000225577141 557745918 /nfs/dbraw/zinc/74/59/18/557745918.db2.gz IJQVFAONQQQZNS-IBGZPJMESA-N 0 0 446.547 3.983 50 0 IHAARN CCn1ccnc1CN(C(=O)[C@H](C)SC)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669091 557760127 /nfs/dbraw/zinc/76/01/27/557760127.db2.gz VOXYCENVNWSPLO-IRXDYDNUSA-N 0 0 436.622 3.773 50 0 IHAARN O=C(COc1ccccc1OCC(F)(F)F)NCc1noc(-c2ccccc2F)n1 ZINC000225735206 557770490 /nfs/dbraw/zinc/77/04/90/557770490.db2.gz UPSSBQBXRUXAEZ-UHFFFAOYSA-N 0 0 425.338 3.512 50 0 IHAARN CN(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000032916514 557807023 /nfs/dbraw/zinc/80/70/23/557807023.db2.gz TUDHDWXHAQLGFI-UHFFFAOYSA-N 0 0 437.787 3.514 50 0 IHAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000226815376 557809460 /nfs/dbraw/zinc/80/94/60/557809460.db2.gz QBRWSSZSUDHTHM-YTFSRNRJSA-N 0 0 448.450 3.981 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 ZINC000000862164 557835819 /nfs/dbraw/zinc/83/58/19/557835819.db2.gz UGRWXFSUUQDKKU-UHFFFAOYSA-N 0 0 430.461 3.728 50 0 IHAARN CS(=O)(=O)c1ccc(-c2nnc(N3C[C@@H]4CCC[C@H]4C3)n2CCc2ccccc2)cc1 ZINC000239527566 557844844 /nfs/dbraw/zinc/84/48/44/557844844.db2.gz ATBXRIXRJDKPBO-SFTDATJTSA-N 0 0 436.581 3.828 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H](c1noc([C@H]2COCCN2C2CCCC2)n1)c1ccccc1 ZINC000239782356 557845076 /nfs/dbraw/zinc/84/50/76/557845076.db2.gz CNXUGKKHGCDSHS-RTBURBONSA-N 0 0 428.533 4.000 50 0 IHAARN Cc1cc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nc(C(F)(F)F)n1 ZINC000240444267 557845221 /nfs/dbraw/zinc/84/52/21/557845221.db2.gz FXCCXUXSRMWXMD-HNNXBMFYSA-N 0 0 442.482 3.913 50 0 IHAARN Cc1csc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2F)n1 ZINC000241965625 557847311 /nfs/dbraw/zinc/84/73/11/557847311.db2.gz UUMMQLLSWYCUNT-UHFFFAOYSA-N 0 0 435.502 3.886 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)c1 ZINC000018705394 557855149 /nfs/dbraw/zinc/85/51/49/557855149.db2.gz JWVLPBPXVKPMDU-UHFFFAOYSA-N 0 0 441.557 3.523 50 0 IHAARN O=C(NCCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000018826164 557860699 /nfs/dbraw/zinc/86/06/99/557860699.db2.gz JZGOUVLWZNAGOY-UHFFFAOYSA-N 0 0 446.931 3.930 50 0 IHAARN CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001243043 562921063 /nfs/dbraw/zinc/92/10/63/562921063.db2.gz XHQGXJOJEASMNJ-HNNXBMFYSA-N 0 0 426.567 3.973 50 0 IHAARN COC(=O)[C@H](Cc1ccc(OC(=O)c2ccccc2C)cc1)N1Cc2ccccc2C1=O ZINC000001383737 562921485 /nfs/dbraw/zinc/92/14/85/562921485.db2.gz IYNYDRQKADRTKE-QHCPKHFHSA-N 0 0 429.472 3.954 50 0 IHAARN Cc1ccc(C(=O)N2[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000001432843 562921983 /nfs/dbraw/zinc/92/19/83/562921983.db2.gz NECZLXZYJJPSMS-PWRODBHTSA-N 0 0 439.943 3.929 50 0 IHAARN O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001936264 562925430 /nfs/dbraw/zinc/92/54/30/562925430.db2.gz RYYRMSBXOHNUIN-UHFFFAOYSA-N 0 0 435.263 3.552 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2Cc2ccccc2)c1 ZINC000002625203 562928642 /nfs/dbraw/zinc/92/86/42/562928642.db2.gz FEABXFDWPBAQMQ-MRXNPFEDSA-N 0 0 437.569 3.882 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000002640082 562929044 /nfs/dbraw/zinc/92/90/44/562929044.db2.gz YGYZQVRRAKVAJR-NSHDSACASA-N 0 0 426.454 3.543 50 0 IHAARN COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C ZINC000002648181 562929201 /nfs/dbraw/zinc/92/92/01/562929201.db2.gz IQBOPMADILUNLC-RUZDIDTESA-N 0 0 439.556 3.699 50 0 IHAARN CCOC(=O)c1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(C)nc1C ZINC000003258204 562933395 /nfs/dbraw/zinc/93/33/95/562933395.db2.gz ZLYLEWLSPLCPDX-UHFFFAOYSA-N 0 0 430.461 3.795 50 0 IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003347448 562934618 /nfs/dbraw/zinc/93/46/18/562934618.db2.gz CRHQHLMRJUQWJD-INIZCTEOSA-N 0 0 442.541 3.957 50 0 IHAARN COc1cccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 ZINC000003357368 562934750 /nfs/dbraw/zinc/93/47/50/562934750.db2.gz ZHJGJJBZUIKLDX-SANMLTNESA-N 0 0 445.519 3.812 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000003406703 562935227 /nfs/dbraw/zinc/93/52/27/562935227.db2.gz STUVLABKSDEAAL-UHFFFAOYSA-N 0 0 428.529 3.542 50 0 aggregator IHAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003423153 562935655 /nfs/dbraw/zinc/93/56/55/562935655.db2.gz SYCKUJCHVKBLDV-UHFFFAOYSA-N 0 0 436.892 3.680 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000003534013 562936432 /nfs/dbraw/zinc/93/64/32/562936432.db2.gz SRYFJOMVAXRWPZ-JKSUJKDBSA-N 0 0 439.537 3.703 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000004301511 562943113 /nfs/dbraw/zinc/94/31/13/562943113.db2.gz LGGOFPMWMXXCQN-JSGCOSHPSA-N 0 0 432.325 3.570 50 0 IHAARN CCc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccccc1CC ZINC000006142099 562946235 /nfs/dbraw/zinc/94/62/35/562946235.db2.gz MCGIMKMNMDEYAU-WOJBJXKFSA-N 0 0 442.581 3.830 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC(C)C)c2c1 ZINC000006238504 562946504 /nfs/dbraw/zinc/94/65/04/562946504.db2.gz DTQBYTVTWAAUHU-UHFFFAOYSA-N 0 0 426.542 3.513 50 0 IHAARN CCCCNC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006296868 562946567 /nfs/dbraw/zinc/94/65/67/562946567.db2.gz GNHFSZFHFWTLNL-UHFFFAOYSA-N 0 0 437.974 3.935 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006509074 562946938 /nfs/dbraw/zinc/94/69/38/562946938.db2.gz JJESXDKFCYVCRX-KRWDZBQOSA-N 0 0 425.529 3.870 50 0 IHAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC[C@@H]1CCCO1 ZINC000006528979 562947047 /nfs/dbraw/zinc/94/70/47/562947047.db2.gz MTYFPMXVVIGDEP-INIZCTEOSA-N 0 0 443.594 3.520 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)S[C@@H](C)C3)no1 ZINC000006530772 562947162 /nfs/dbraw/zinc/94/71/62/562947162.db2.gz MPSPYTBMQFPOAZ-ZDUSSCGKSA-N 0 0 428.539 3.605 50 0 IHAARN Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)n1 ZINC000006577739 562947795 /nfs/dbraw/zinc/94/77/95/562947795.db2.gz YQCRBRHRCFWZMX-UHFFFAOYSA-N 0 0 442.545 3.831 50 0 IHAARN CCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000008583198 562949726 /nfs/dbraw/zinc/94/97/26/562949726.db2.gz GRHOAZJKYRLJKB-XMMPIXPASA-N 0 0 446.588 3.955 50 0 IHAARN COc1ccc(NC(=O)[C@@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000008591394 562952006 /nfs/dbraw/zinc/95/20/06/562952006.db2.gz QOTUWDCDLKWCSA-WLXIZUKCSA-N 0 0 430.460 3.933 50 0 biogenic IHAARN CCOc1ccc(CCNC(=O)CSc2cc(=O)n(C)c3ccccc23)cc1OCC ZINC000008596404 562953796 /nfs/dbraw/zinc/95/37/96/562953796.db2.gz UJIINXWWVBEVHB-UHFFFAOYSA-N 0 0 440.565 3.787 50 0 IHAARN COc1ccc(CCC(=O)NCc2nc3cccnc3n2Cc2cccc(OC)c2)cc1 ZINC000008600563 562955110 /nfs/dbraw/zinc/95/51/10/562955110.db2.gz UOUFZKCHWZNAAU-UHFFFAOYSA-N 0 0 430.508 3.746 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccc(OC)cc2)cc1 ZINC000008601177 562955227 /nfs/dbraw/zinc/95/52/27/562955227.db2.gz SORWRFYYNUZDBU-UHFFFAOYSA-N 0 0 425.510 3.848 50 0 IHAARN COc1ccccc1C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1 ZINC000008607066 562957211 /nfs/dbraw/zinc/95/72/11/562957211.db2.gz QVTQGJQPWJFKQD-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN CSc1ccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)cc1 ZINC000008608952 562957569 /nfs/dbraw/zinc/95/75/69/562957569.db2.gz VMYNNNBDUHWHDR-UHFFFAOYSA-N 0 0 448.592 3.932 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccccc4F)CC3)ccc21 ZINC000008609371 562957812 /nfs/dbraw/zinc/95/78/12/562957812.db2.gz NWPWLLRXNQSBOD-UHFFFAOYSA-N 0 0 444.532 3.729 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(NC(C)=O)cc1 ZINC000008610050 562958023 /nfs/dbraw/zinc/95/80/23/562958023.db2.gz DZVPWKBAPAASLY-NRFANRHFSA-N 0 0 432.484 3.563 50 0 IHAARN COc1c(Cl)cc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008612158 562959044 /nfs/dbraw/zinc/95/90/44/562959044.db2.gz IFLQVZHWEFMCCH-CQSZACIVSA-N 0 0 446.327 3.971 50 0 IHAARN Cn1c2cn(Cc3ccc(F)cc3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000008614019 562959530 /nfs/dbraw/zinc/95/95/30/562959530.db2.gz VADTUXLHICMFEJ-UHFFFAOYSA-N 0 0 442.288 3.656 50 0 IHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c(O)c1 ZINC000008845651 562965147 /nfs/dbraw/zinc/96/51/47/562965147.db2.gz GIQLSYUQGQPQSU-UHFFFAOYSA-N 0 0 440.525 3.518 50 0 IHAARN CCCCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009127751 562967589 /nfs/dbraw/zinc/96/75/89/562967589.db2.gz CTYFEZLGGQDKNK-KRWDZBQOSA-N 0 0 446.569 3.743 50 0 IHAARN CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S ZINC000009409890 562970237 /nfs/dbraw/zinc/97/02/37/562970237.db2.gz GNBQOIAIAWKCMR-UHFFFAOYSA-N 0 0 428.461 3.975 50 0 IHAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1 ZINC000009468736 562971693 /nfs/dbraw/zinc/97/16/93/562971693.db2.gz WRXWYFLQJVLMNZ-UHFFFAOYSA-N 0 0 445.585 3.507 50 0 IHAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009469544 562971797 /nfs/dbraw/zinc/97/17/97/562971797.db2.gz NADKVEORXAEDGX-UHFFFAOYSA-N 0 0 427.448 3.541 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1 ZINC000009580090 562973469 /nfs/dbraw/zinc/97/34/69/562973469.db2.gz NIXQYZZXCRPVFC-UHFFFAOYSA-N 0 0 430.526 3.574 50 0 IHAARN O=C(CNc1ccccc1F)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009582615 562973529 /nfs/dbraw/zinc/97/35/29/562973529.db2.gz LRSNJMPMLYZIQO-UHFFFAOYSA-N 0 0 425.913 3.704 50 0 IHAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c(OC)c1 ZINC000009625745 562974282 /nfs/dbraw/zinc/97/42/82/562974282.db2.gz KVPPHMQGCXDSQJ-UHFFFAOYSA-N 0 0 442.497 3.994 50 0 IHAARN COc1ccc(NC(=O)COc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000009631801 562974420 /nfs/dbraw/zinc/97/44/20/562974420.db2.gz IZPLYUBFFNVZAH-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(Br)ccc1O ZINC000009670454 562975101 /nfs/dbraw/zinc/97/51/01/562975101.db2.gz OEMWGIKELVDTNQ-UHFFFAOYSA-N 0 0 444.285 3.753 50 0 IHAARN COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cccn2)cc1 ZINC000009712007 562975762 /nfs/dbraw/zinc/97/57/62/562975762.db2.gz IRVILBOBLZBFQA-UHFFFAOYSA-N 0 0 446.429 3.618 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 ZINC000009715071 562975908 /nfs/dbraw/zinc/97/59/08/562975908.db2.gz UGHPSGHYSHXLSK-UHFFFAOYSA-N 0 0 446.326 3.922 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000009731376 562976286 /nfs/dbraw/zinc/97/62/86/562976286.db2.gz HLPCTICWFDZJDF-LJAQVGFWSA-N 0 0 438.933 3.592 50 0 IHAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)NCc3nc4ccccc4s3)o2)c1 ZINC000011816499 562979457 /nfs/dbraw/zinc/97/94/57/562979457.db2.gz MQHJXNXVRPDLJQ-UHFFFAOYSA-N 0 0 438.509 3.536 50 0 IHAARN COc1ccc(C(=O)NC[C@@H]2Cc3c(c(-c4nc(C)cnc4C)ccc3F)O2)cc1F ZINC000011968439 562979990 /nfs/dbraw/zinc/97/99/90/562979990.db2.gz DSBCJCFXEGHOBG-HNNXBMFYSA-N 0 0 425.435 3.781 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3Cc4cc(-c5cnccn5)ccc4O3)cc2)n1 ZINC000011978347 562980042 /nfs/dbraw/zinc/98/00/42/562980042.db2.gz QOMNQYBBKFNVGI-JOCHJYFZSA-N 0 0 425.492 3.680 50 0 IHAARN CCC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C1 ZINC000012072655 562980570 /nfs/dbraw/zinc/98/05/70/562980570.db2.gz ZLPHTIQDSNOTKG-OAQYLSRUSA-N 0 0 449.551 3.597 50 0 IHAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000012949662 562983575 /nfs/dbraw/zinc/98/35/75/562983575.db2.gz GSEZFYXNOYYMHZ-LJQANCHMSA-N 0 0 436.537 3.751 50 0 IHAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC ZINC000012972950 562983630 /nfs/dbraw/zinc/98/36/30/562983630.db2.gz ZJZOHEMEAYQNMS-KRWDZBQOSA-N 0 0 437.521 3.815 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCCCc1ccccc1)nc2C ZINC000015942984 563019804 /nfs/dbraw/zinc/01/98/04/563019804.db2.gz KANSFAOYPRSGAV-FQEVSTJZSA-N 0 0 443.551 3.817 50 0 IHAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)c2ccccc21 ZINC000020438747 563024868 /nfs/dbraw/zinc/02/48/68/563024868.db2.gz GFISEADYHBVRPA-QJOMJCCJSA-N 0 0 441.535 3.835 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C)n2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000027655646 563045325 /nfs/dbraw/zinc/04/53/25/563045325.db2.gz ZZQJROBTKAKSNU-UHFFFAOYSA-N 0 0 437.521 3.792 50 0 IHAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000058085763 563143422 /nfs/dbraw/zinc/14/34/22/563143422.db2.gz MBKJPVCOWJBZMX-YADHBBJMSA-N 0 0 434.005 3.752 50 0 IHAARN CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2n1C ZINC000248041099 568633311 /nfs/dbraw/zinc/63/33/11/568633311.db2.gz OGSQDLAGIQNJHO-OXJNMPFZSA-N 0 0 444.539 3.706 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)cc(OC)c1OC ZINC000000929531 568637801 /nfs/dbraw/zinc/63/78/01/568637801.db2.gz FCJMPPAXXAMHJK-CYBMUJFWSA-N 0 0 441.509 3.832 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 ZINC000000940659 568641648 /nfs/dbraw/zinc/64/16/48/568641648.db2.gz HLIHVWCJPKFPPP-MRXNPFEDSA-N 0 0 444.720 3.540 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)ccc1OC ZINC000086056938 568642159 /nfs/dbraw/zinc/64/21/59/568642159.db2.gz FMOLRNWTHVMGPZ-INIZCTEOSA-N 0 0 437.521 3.944 50 0 IHAARN O=C(c1cccc2ccccc21)N1CCN(c2c(-c3ccccc3)cnc3ncnn32)CC1 ZINC000025156186 568643874 /nfs/dbraw/zinc/64/38/74/568643874.db2.gz NECUMMIIAFUGFI-UHFFFAOYSA-N 0 0 434.503 3.907 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)NC2CCCCC2)c1 ZINC000000969366 568647209 /nfs/dbraw/zinc/64/72/09/568647209.db2.gz OFUNKQDKYJGOAN-UHFFFAOYSA-N 0 0 429.498 3.594 50 0 IHAARN O=C(Oc1ccccc1)n1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 ZINC000001084289 568657508 /nfs/dbraw/zinc/65/75/08/568657508.db2.gz BAWIWBCOIYJIMA-UHFFFAOYSA-N 0 0 428.397 3.582 50 0 IHAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002096183 568742818 /nfs/dbraw/zinc/74/28/18/568742818.db2.gz GOPRETXYMFPZDN-IVZQSRNASA-N 0 0 443.521 3.708 50 0 IHAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2ccccc2)cc1OC ZINC000003242814 568743475 /nfs/dbraw/zinc/74/34/75/568743475.db2.gz KOUVCHMBHCTRQH-UHFFFAOYSA-N 0 0 440.477 3.813 50 0 IHAARN CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2C)CC1 ZINC000043960199 568744358 /nfs/dbraw/zinc/74/43/58/568744358.db2.gz UTPJBFDPHIVMRR-UHFFFAOYSA-N 0 0 447.626 3.559 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000003373824 568748372 /nfs/dbraw/zinc/74/83/72/568748372.db2.gz AEFJSRTWSTUOIS-UHFFFAOYSA-N 0 0 432.505 3.792 50 0 IHAARN Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000044170261 568749324 /nfs/dbraw/zinc/74/93/24/568749324.db2.gz FRSDNFWOGOOTTF-UHFFFAOYSA-N 0 0 431.540 3.746 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000003640223 568752440 /nfs/dbraw/zinc/75/24/40/568752440.db2.gz XOKTVGGSISHFEP-INIZCTEOSA-N 0 0 429.325 3.833 50 0 IHAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n3n2)cc1 ZINC000003649038 568752620 /nfs/dbraw/zinc/75/26/20/568752620.db2.gz XDKJESGMJWHGAB-QNGOZBTKSA-N 0 0 449.532 3.860 50 0 IHAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 ZINC000003650965 568752823 /nfs/dbraw/zinc/75/28/23/568752823.db2.gz JPKFBIKKLRDSSO-HKWRFOASSA-N 0 0 449.532 3.721 50 0 IHAARN CCOC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(OCC(F)(F)F)C(F)(F)F ZINC000003668630 568754079 /nfs/dbraw/zinc/75/40/79/568754079.db2.gz CMPKDCCZKVNLJH-AWEZNQCLSA-N 0 0 445.341 3.818 50 0 biogenic IHAARN Cc1cccn2cc(CN3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CCC3=O)nc12 ZINC000299756292 568755189 /nfs/dbraw/zinc/75/51/89/568755189.db2.gz KZSVESIRLBHFMW-UHFFFAOYSA-N 0 0 430.430 3.536 50 0 IHAARN O=C(Cc1cccc2ccccc21)N1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299786423 568757486 /nfs/dbraw/zinc/75/74/86/568757486.db2.gz LNQRBRJLQKYVTO-XMMPIXPASA-N 0 0 427.548 3.765 50 0 IHAARN CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299799842 568757876 /nfs/dbraw/zinc/75/78/76/568757876.db2.gz UPJVBEABNZBXMJ-FXAWDEMLSA-N 0 0 427.511 3.791 50 0 IHAARN COc1cc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)cc(OC)c1 ZINC000299795144 568758014 /nfs/dbraw/zinc/75/80/14/568758014.db2.gz LNPVKEWTMKTVKG-YADHBBJMSA-N 0 0 430.545 3.857 50 0 IHAARN COC(=O)C[C@@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(Br)cc1 ZINC000015361856 568760193 /nfs/dbraw/zinc/76/01/93/568760193.db2.gz GXXDWXTZNPSJRT-MRXNPFEDSA-N 0 0 426.332 3.649 50 0 IHAARN COC(=O)c1cn(C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc2c(=O)[nH]nc1-2 ZINC000263588716 568761171 /nfs/dbraw/zinc/76/11/71/568761171.db2.gz XQJSQAKYWWWQEX-LJQANCHMSA-N 0 0 442.475 3.785 50 0 IHAARN COc1ccc(OC)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015390744 568761410 /nfs/dbraw/zinc/76/14/10/568761410.db2.gz VCEZQAPRFPVBIH-QGZVFWFLSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(OC)c1 ZINC000015395534 568761529 /nfs/dbraw/zinc/76/15/29/568761529.db2.gz NAFUNHQLGKLZKG-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)c5ccccc5)CC4)c3CO2)cc1 ZINC000263615839 568776123 /nfs/dbraw/zinc/77/61/23/568776123.db2.gz FKXHHRFWQGASGM-QHCPKHFHSA-N 0 0 445.519 3.898 50 0 IHAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccc(Br)cc1F ZINC000263616976 568777408 /nfs/dbraw/zinc/77/74/08/568777408.db2.gz LKYCBJXVVCIPNB-UHFFFAOYSA-N 0 0 446.251 3.744 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c3CO2)cc1 ZINC000263618556 568777599 /nfs/dbraw/zinc/77/75/99/568777599.db2.gz UIIIIBASGOYFOP-KRWDZBQOSA-N 0 0 434.374 3.709 50 0 IHAARN COc1cc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c(OC)cc1Cl ZINC000263618505 568777703 /nfs/dbraw/zinc/77/77/03/568777703.db2.gz UCUCEIBYSAWOGH-SFHVURJKSA-N 0 0 432.839 3.612 50 0 IHAARN COc1c2c(c(NC(=O)COc3cc(C)ccc3C(C)C)c3c1CN(C)CC3)OCO2 ZINC000032123777 568781706 /nfs/dbraw/zinc/78/17/06/568781706.db2.gz WJKMHLAOJNLBKI-UHFFFAOYSA-N 0 0 426.513 3.861 50 0 biogenic IHAARN Cc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)cc1Cl ZINC000045938827 568783418 /nfs/dbraw/zinc/78/34/18/568783418.db2.gz RVGJIPDMPSRQPC-UHFFFAOYSA-N 0 0 431.930 3.839 50 0 IHAARN CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 ZINC000001388332 568784689 /nfs/dbraw/zinc/78/46/89/568784689.db2.gz DIUDAFPUSJROES-UHFFFAOYSA-N 0 0 440.953 3.861 50 0 IHAARN O[C@H](COCc1ccc2c(c1)OCO2)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000025856553 568785486 /nfs/dbraw/zinc/78/54/86/568785486.db2.gz SNGBJUPTZSHPML-MRXNPFEDSA-N 0 0 443.500 3.818 50 0 IHAARN CCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(C)C ZINC000004782248 568793932 /nfs/dbraw/zinc/79/39/32/568793932.db2.gz WMHGOMHHYHDBES-UHFFFAOYSA-N 0 0 430.545 3.824 50 0 IHAARN Cc1c(NC(=O)c2cc(F)c(N3CCCC3)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000001430496 568794835 /nfs/dbraw/zinc/79/48/35/568794835.db2.gz PQEIRNMDZYUOBX-UHFFFAOYSA-N 0 0 430.430 3.754 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001434905 568795861 /nfs/dbraw/zinc/79/58/61/568795861.db2.gz NRSNGSWXXYTFQA-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN CC(C)c1ocnc1C(=O)Nc1ncc(Br)cc1I ZINC000084622425 568799123 /nfs/dbraw/zinc/79/91/23/568799123.db2.gz CBHFLUGDGGXQHC-UHFFFAOYSA-N 0 0 436.047 3.812 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000012780411 568800654 /nfs/dbraw/zinc/80/06/54/568800654.db2.gz RQGUJMDODZVXSB-UHFFFAOYSA-N 0 0 442.459 3.690 50 0 IHAARN CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000084752990 568800835 /nfs/dbraw/zinc/80/08/35/568800835.db2.gz DSIDFLXZNQQVDA-LJQANCHMSA-N 0 0 431.330 3.622 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(OC)c3)n2)cc1 ZINC000015670193 568802131 /nfs/dbraw/zinc/80/21/31/568802131.db2.gz GEOMRVGBUASEMS-IBGZPJMESA-N 0 0 442.479 3.524 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(OC)c3)n2)c1 ZINC000015670476 568802280 /nfs/dbraw/zinc/80/22/80/568802280.db2.gz RHOUZVVJCWDICB-IBGZPJMESA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)nc(C)n3n2)cc1 ZINC000015672097 568803187 /nfs/dbraw/zinc/80/31/87/568803187.db2.gz NIDLJWPANDDZGD-UHFFFAOYSA-N 0 0 431.496 3.637 50 0 IHAARN COc1ccc(CNC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000015677902 568804943 /nfs/dbraw/zinc/80/49/43/568804943.db2.gz LWDIEURKGKPIQY-HSZRJFAPSA-N 0 0 431.492 3.654 50 0 IHAARN CCCSCCCNC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000015677948 568804975 /nfs/dbraw/zinc/80/49/75/568804975.db2.gz OVGQKSQGDLNKMA-OAQYLSRUSA-N 0 0 427.570 3.978 50 0 IHAARN CC(C)CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000015681235 568806548 /nfs/dbraw/zinc/80/65/48/568806548.db2.gz CPKKKMQQWOADRQ-UHFFFAOYSA-N 0 0 433.556 3.678 50 0 IHAARN CN(Cc1ccc2ccccc2c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000032498561 568811420 /nfs/dbraw/zinc/81/14/20/568811420.db2.gz JZBUQRJAFFYMSD-UHFFFAOYSA-N 0 0 433.327 3.522 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccc(OC)cc1 ZINC000005091106 568812722 /nfs/dbraw/zinc/81/27/22/568812722.db2.gz WBICTIBDGZJKQJ-XMSQKQJNSA-N 0 0 428.529 3.737 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nn3c(nc(C)cc3=O)s1)CC2 ZINC000012809461 568813929 /nfs/dbraw/zinc/81/39/29/568813929.db2.gz OEUDSQOTNYKDSK-HSZRJFAPSA-N 0 0 448.548 3.624 50 0 IHAARN CN1c2ccc(Cl)cc2-c2nc(SCC(=O)Nc3ccccc3)ncc2S1(=O)=O ZINC000015731778 568814935 /nfs/dbraw/zinc/81/49/35/568814935.db2.gz VOFGHQFUCFIHOG-UHFFFAOYSA-N 0 0 446.941 3.666 50 0 IHAARN C=C1C(N2CCC(C(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732963 568815514 /nfs/dbraw/zinc/81/55/14/568815514.db2.gz KPUJNMFVMHBTPA-INIZCTEOSA-N 0 0 431.602 3.910 50 0 IHAARN CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[nH]n21)c1cccc(C)c1 ZINC000015732576 568815527 /nfs/dbraw/zinc/81/55/27/568815527.db2.gz MVUWFTJMQVORJD-UHFFFAOYSA-N 0 0 449.536 3.547 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000015771729 568822604 /nfs/dbraw/zinc/82/26/04/568822604.db2.gz NJRUVCMPNXPVIA-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN COc1ccc(CCC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781266 568825817 /nfs/dbraw/zinc/82/58/17/568825817.db2.gz JLIMQFXWKAMXQG-JOCHJYFZSA-N 0 0 445.512 4.000 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NCCc1cccc(C)c1)c2=O ZINC000015787038 568836333 /nfs/dbraw/zinc/83/63/33/568836333.db2.gz XSNMBSFSBSAMJH-UHFFFAOYSA-N 0 0 449.942 3.520 50 0 IHAARN COc1ccc(Br)cc1/C=C1\N=C(c2cc(OC)c(OC)c(OC)c2)OC1=O ZINC000001515881 568839625 /nfs/dbraw/zinc/83/96/25/568839625.db2.gz FVJMQWOILAGSSZ-ZSOIEALJSA-N 0 0 448.269 3.828 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COc1cc(CSc2nccn2C)ncc1OC ZINC000015823942 568840178 /nfs/dbraw/zinc/84/01/78/568840178.db2.gz NCXCPVMKYZMANU-UHFFFAOYSA-N 0 0 448.932 3.796 50 0 IHAARN CCOc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1 ZINC000015823971 568840248 /nfs/dbraw/zinc/84/02/48/568840248.db2.gz OMAULHLLXPQYEQ-UHFFFAOYSA-N 0 0 446.554 3.959 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2ccccc2)S1 ZINC000015832939 568842172 /nfs/dbraw/zinc/84/21/72/568842172.db2.gz SLEMIAZOUHMVHV-LJQANCHMSA-N 0 0 433.917 3.799 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccccc2)S1 ZINC000015832940 568842236 /nfs/dbraw/zinc/84/22/36/568842236.db2.gz SLEMIAZOUHMVHV-IBGZPJMESA-N 0 0 433.917 3.799 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(C(C)=O)ccc1OC ZINC000006147699 568846458 /nfs/dbraw/zinc/84/64/58/568846458.db2.gz NRIQVLVPVFZDRG-UHFFFAOYSA-N 0 0 447.582 3.987 50 0 IHAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1c(F)cccc1F ZINC000015867214 568850631 /nfs/dbraw/zinc/85/06/31/568850631.db2.gz XNJCAEWBHWLWLR-UHFFFAOYSA-N 0 0 433.396 3.854 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000015868602 568852005 /nfs/dbraw/zinc/85/20/05/568852005.db2.gz YUPPRBXZWFXQIZ-KRWDZBQOSA-N 0 0 449.551 3.990 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1Cl ZINC000015882615 568856964 /nfs/dbraw/zinc/85/69/64/568856964.db2.gz BRDNRGBCLROPQX-HSZRJFAPSA-N 0 0 448.954 3.898 50 0 IHAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000015882593 568856978 /nfs/dbraw/zinc/85/69/78/568856978.db2.gz OLJPIJJQTKGIOK-JOCHJYFZSA-N 0 0 434.927 3.589 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882617 568857068 /nfs/dbraw/zinc/85/70/68/568857068.db2.gz ADASMPNJZFUVBI-HSZRJFAPSA-N 0 0 448.954 3.898 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)n1 ZINC000015882797 568857383 /nfs/dbraw/zinc/85/73/83/568857383.db2.gz HTTQWTXNKOHONJ-UHFFFAOYSA-N 0 0 449.891 3.504 50 0 IHAARN NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000015982657 568861672 /nfs/dbraw/zinc/86/16/72/568861672.db2.gz ALVXULGRHTWIAG-UHFFFAOYSA-N 0 0 443.322 3.920 50 0 IHAARN Cc1c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)sc2[nH]c(C)nc(=O)c12 ZINC000016097439 568870258 /nfs/dbraw/zinc/87/02/58/568870258.db2.gz HRQWGKWDRHBFBC-UHFFFAOYSA-N 0 0 439.465 3.712 50 0 IHAARN CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2Cl)ccc1Br ZINC000012943841 568870432 /nfs/dbraw/zinc/87/04/32/568870432.db2.gz NDESJRRNCWPJAV-UHFFFAOYSA-N 0 0 432.723 3.710 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000016100964 568870540 /nfs/dbraw/zinc/87/05/40/568870540.db2.gz OBBXYIPFFXPXEP-UHFFFAOYSA-N 0 0 444.578 3.925 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012948317 568871583 /nfs/dbraw/zinc/87/15/83/568871583.db2.gz SRLBJLQHENIMIC-UHFFFAOYSA-N 0 0 444.457 3.896 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN(Cc1cccs1)Cc1ccccc1OC)[nH]c2=O ZINC000012951148 568872187 /nfs/dbraw/zinc/87/21/87/568872187.db2.gz TWKTUSNFXNFXON-UHFFFAOYSA-N 0 0 449.532 3.982 50 0 IHAARN Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2cccs2)n1 ZINC000575609597 568878855 /nfs/dbraw/zinc/87/88/55/568878855.db2.gz DOYALJXEGAHUBY-INIZCTEOSA-N 0 0 436.459 3.925 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc32)N(C)C)cc1 ZINC000575620548 568882995 /nfs/dbraw/zinc/88/29/95/568882995.db2.gz KTQWHZSAGOUYPI-GOSISDBHSA-N 0 0 433.555 3.661 50 0 IHAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000102421479 568884831 /nfs/dbraw/zinc/88/48/31/568884831.db2.gz IJIQSPAJJGAWKG-JAXLGGSGSA-N 0 0 445.606 3.715 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000229830008 568887074 /nfs/dbraw/zinc/88/70/74/568887074.db2.gz AVESBMGNTNCJLZ-WDEREUQCSA-N 0 0 428.345 3.523 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)n[nH]4)CC3)nc2)no1 ZINC000090558857 568887687 /nfs/dbraw/zinc/88/76/87/568887687.db2.gz HKFDAVYNMLMVQO-UHFFFAOYSA-N 0 0 449.540 3.669 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(C)c1 ZINC000090608006 568890591 /nfs/dbraw/zinc/89/05/91/568890591.db2.gz YTEFPRFDUWZYHT-UHFFFAOYSA-N 0 0 433.516 3.595 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000012977796 568891392 /nfs/dbraw/zinc/89/13/92/568891392.db2.gz BEHSPRUKZBUUAP-KRWDZBQOSA-N 0 0 448.544 3.959 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1 ZINC000012979819 568891957 /nfs/dbraw/zinc/89/19/57/568891957.db2.gz GXYYWOKUJSZOAX-UHFFFAOYSA-N 0 0 430.552 3.622 50 0 IHAARN Cc1nn(-c2cc(SCc3cc(=O)n4cc(Cl)ccc4n3)ncn2)c2c1CCCC2 ZINC000090610263 568892272 /nfs/dbraw/zinc/89/22/72/568892272.db2.gz BIEVDLZFSYBHPC-UHFFFAOYSA-N 0 0 438.944 3.803 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012983810 568895453 /nfs/dbraw/zinc/89/54/53/568895453.db2.gz JZUWDAPZMDTMSI-HXUWFJFHSA-N 0 0 426.542 3.610 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000035684362 568898211 /nfs/dbraw/zinc/89/82/11/568898211.db2.gz PNUKAVLOMLIZSA-GOSISDBHSA-N 0 0 434.452 3.825 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1C ZINC000013004222 568898913 /nfs/dbraw/zinc/89/89/13/568898913.db2.gz QYOKBMUXURTTDB-QFIPXVFZSA-N 0 0 428.579 3.891 50 0 IHAARN Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013007652 568899530 /nfs/dbraw/zinc/89/95/30/568899530.db2.gz QONOSQXKIWCNKJ-UHFFFAOYSA-N 0 0 430.570 3.629 50 0 IHAARN COc1cccc([C@H](CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N2CCCC2)c1 ZINC000013010399 568899826 /nfs/dbraw/zinc/89/98/26/568899826.db2.gz MDFWVGYPTULKHC-QHCPKHFHSA-N 0 0 446.551 3.634 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCN(C)c3nc4ccccc4nc32)CC1 ZINC000013011146 568900108 /nfs/dbraw/zinc/90/01/08/568900108.db2.gz VVVGBIKNKYWVAV-UHFFFAOYSA-N 0 0 443.551 3.664 50 0 IHAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001744146 568901026 /nfs/dbraw/zinc/90/10/26/568901026.db2.gz XCQDWVDGZYWDLH-GFCCVEGCSA-N 0 0 437.901 3.717 50 0 IHAARN O=C(COc1ccc(F)cc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000013012293 568901066 /nfs/dbraw/zinc/90/10/66/568901066.db2.gz JSABEKBDRYFCIA-UHFFFAOYSA-N 0 0 438.221 3.602 50 0 IHAARN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 ZINC000013022119 568902336 /nfs/dbraw/zinc/90/23/36/568902336.db2.gz HWUWAQWMZUVFEA-LLVKDONJSA-N 0 0 438.752 3.747 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 ZINC000524729641 568904036 /nfs/dbraw/zinc/90/40/36/568904036.db2.gz BPKFUWCAKOLYEJ-IBGZPJMESA-N 0 0 437.492 3.869 50 0 biogenic IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCc2nc3ccccc3s2)c1 ZINC000016471515 568907848 /nfs/dbraw/zinc/90/78/48/568907848.db2.gz KEHKFBZNGHEUDV-UHFFFAOYSA-N 0 0 431.583 3.689 50 0 IHAARN O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239038622 568910538 /nfs/dbraw/zinc/91/05/38/568910538.db2.gz DOCSXCUUPHNBIH-NLJWQWLVSA-N 0 0 436.511 3.999 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H]([C@H]3CC(C)=C4C(=O)N(c5ccc(C)cc5)C(=O)[C@H]4C3)C2=O)cc1 ZINC000239287331 568910951 /nfs/dbraw/zinc/91/09/51/568910951.db2.gz CPQIYYIWZOCUGT-GDXZIDHASA-N 0 0 442.515 3.955 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000239432838 568911557 /nfs/dbraw/zinc/91/15/57/568911557.db2.gz WPANZNCUODYMOY-DHIUTWEWSA-N 0 0 426.520 3.880 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000241701773 568912384 /nfs/dbraw/zinc/91/23/84/568912384.db2.gz QKZNKWQSIGMSFR-PKRADWSKSA-N 0 0 443.613 3.997 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H](c1cccnc1)N(C)C2=O ZINC000245234349 568913108 /nfs/dbraw/zinc/91/31/08/568913108.db2.gz AJQUPUDDSQWYMM-HMOKWFRKSA-N 0 0 437.540 3.514 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000245327301 568915099 /nfs/dbraw/zinc/91/50/99/568915099.db2.gz OCUFAWVLMNSZOB-HAGHYFMRSA-N 0 0 442.437 3.849 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016498587 568920387 /nfs/dbraw/zinc/92/03/87/568920387.db2.gz REWWGFDWYNVAFX-UHFFFAOYSA-N 0 0 432.473 3.918 50 0 IHAARN COc1cc(NC(=O)c2ccc(OC)c(I)n2)c(OC)cc1Cl ZINC000089466857 568925959 /nfs/dbraw/zinc/92/59/59/568925959.db2.gz ZXXKDGDVUXZSOW-UHFFFAOYSA-N 0 0 448.644 3.618 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000035808706 568926377 /nfs/dbraw/zinc/92/63/77/568926377.db2.gz KGDBUUKQJOLCJU-UYFSRDTQSA-N 0 0 441.915 3.628 50 0 IHAARN CC[C@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccc(F)cc4)no3)c(C)c2c1=O ZINC000064439236 568928406 /nfs/dbraw/zinc/92/84/06/568928406.db2.gz CKNCYYABRDNYCZ-NSHDSACASA-N 0 0 441.488 3.537 50 0 IHAARN CCCCNC(=O)Cn1cnc2sc(-c3nc(-c4ccc(F)cc4)no3)c(C)c2c1=O ZINC000064439234 568928509 /nfs/dbraw/zinc/92/85/09/568928509.db2.gz FXRGMLFJVOARCB-UHFFFAOYSA-N 0 0 441.488 3.539 50 0 IHAARN CNC(=O)N1CCN(c2nn3c(nc(-c4ccc(C)cc4)c3NC3CCCC3)s2)CC1 ZINC000064450965 568929015 /nfs/dbraw/zinc/92/90/15/568929015.db2.gz CHEPHBBFPOWYRW-UHFFFAOYSA-N 0 0 439.589 3.582 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1 ZINC000064566027 568932813 /nfs/dbraw/zinc/93/28/13/568932813.db2.gz PIYYZFZNOBKRDC-UHFFFAOYSA-N 0 0 443.544 3.640 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1cccnc1Cl)C2 ZINC000064566185 568932958 /nfs/dbraw/zinc/93/29/58/568932958.db2.gz FBXSIAAXZPHZGK-UHFFFAOYSA-N 0 0 438.850 3.523 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000064566179 568932987 /nfs/dbraw/zinc/93/29/87/568932987.db2.gz NTIMCKXNWJTBKR-UHFFFAOYSA-N 0 0 435.434 3.543 50 0 IHAARN C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589031 568934779 /nfs/dbraw/zinc/93/47/79/568934779.db2.gz MOVJTRCOQBSSLB-UHFFFAOYSA-N 0 0 432.318 3.542 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c(Cl)c1 ZINC000064592987 568935601 /nfs/dbraw/zinc/93/56/01/568935601.db2.gz QCJGCVMOTAMLDF-UHFFFAOYSA-N 0 0 443.891 3.712 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12 ZINC000064593559 568935821 /nfs/dbraw/zinc/93/58/21/568935821.db2.gz KMCLZDIPNNVIGQ-UHFFFAOYSA-N 0 0 433.537 3.790 50 0 IHAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1cc(F)ccc1F ZINC000064593503 568935908 /nfs/dbraw/zinc/93/59/08/568935908.db2.gz UCTGKXYVKUQFTA-KRWDZBQOSA-N 0 0 441.463 3.668 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 ZINC000064593336 568935940 /nfs/dbraw/zinc/93/59/40/568935940.db2.gz XSFVKWLANIOBCS-UHFFFAOYSA-N 0 0 437.500 3.874 50 0 IHAARN CC[C@H](Sc1nnc2c(=O)n(-c3cccc(OC)c3)ccn12)C(=O)Nc1ccccc1C ZINC000064593720 568936080 /nfs/dbraw/zinc/93/60/80/568936080.db2.gz VIXNPGLLJAWISR-IBGZPJMESA-N 0 0 449.536 3.707 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000064593592 568936116 /nfs/dbraw/zinc/93/61/16/568936116.db2.gz DOTOTKVRHGKKMR-UHFFFAOYSA-N 0 0 433.537 3.845 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1C ZINC000006601812 568936453 /nfs/dbraw/zinc/93/64/53/568936453.db2.gz PFLNBWWCXHTHDE-UHFFFAOYSA-N 0 0 438.496 3.711 50 0 IHAARN Cc1c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3CCO)c2)cnn1-c1ccccc1 ZINC000089544991 568936962 /nfs/dbraw/zinc/93/69/62/568936962.db2.gz MUHIVMLWLALLGK-NRFANRHFSA-N 0 0 432.524 3.810 50 0 IHAARN C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccccc1 ZINC000089573976 568937962 /nfs/dbraw/zinc/93/79/62/568937962.db2.gz PQWNJZYJSCDBCV-CQSZACIVSA-N 0 0 430.507 3.733 50 0 IHAARN O=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689887 568938364 /nfs/dbraw/zinc/93/83/64/568938364.db2.gz VFJLAOSRNKWOHW-UHFFFAOYSA-N 0 0 444.377 3.582 50 0 IHAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)cc1 ZINC000064605008 568939101 /nfs/dbraw/zinc/93/91/01/568939101.db2.gz JBBMYLIZBMVBIT-MRXNPFEDSA-N 0 0 430.508 3.581 50 0 IHAARN CN(CC(=O)N1CCCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704208 568944495 /nfs/dbraw/zinc/94/44/95/568944495.db2.gz HIVXIKAWOVOQJG-UHFFFAOYSA-N 0 0 430.553 3.866 50 0 IHAARN CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(OC)cc3)c2NC(C)(C)C)s1 ZINC000064703527 568944540 /nfs/dbraw/zinc/94/45/40/568944540.db2.gz HUWBJVUSHONIRJ-UHFFFAOYSA-N 0 0 430.578 3.639 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CCC1 ZINC000036069519 568945547 /nfs/dbraw/zinc/94/55/47/568945547.db2.gz IZVLVHIZRQHGPF-HXUWFJFHSA-N 0 0 449.599 3.528 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036083501 568947229 /nfs/dbraw/zinc/94/72/29/568947229.db2.gz MVZRNLGIXFFHQW-HXUWFJFHSA-N 0 0 430.888 3.941 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083900 568947524 /nfs/dbraw/zinc/94/75/24/568947524.db2.gz KXGPXNRJKLQCRZ-FQEVSTJZSA-N 0 0 430.888 3.941 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCNc2c(-c3ccc(F)cc3)nc3cnccn32)cc1 ZINC000064758640 568951660 /nfs/dbraw/zinc/95/16/60/568951660.db2.gz QTTUPVVJNQHZRW-UHFFFAOYSA-N 0 0 432.459 3.935 50 0 IHAARN CCC(=O)N(CCN1CCOCC1)Cc1csc(COc2cc(C)cc(C)c2C)n1 ZINC000036105843 568953496 /nfs/dbraw/zinc/95/34/96/568953496.db2.gz YUKYNIWALLPTPX-UHFFFAOYSA-N 0 0 431.602 3.718 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C1CC1 ZINC000036118007 568955945 /nfs/dbraw/zinc/95/59/45/568955945.db2.gz CXSLBPREUJNPTJ-IBGZPJMESA-N 0 0 442.581 3.910 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccs2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787668 568956272 /nfs/dbraw/zinc/95/62/72/568956272.db2.gz YLPMLCLPMNPTDR-NRFANRHFSA-N 0 0 435.549 3.930 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121558 568957840 /nfs/dbraw/zinc/95/78/40/568957840.db2.gz YBISZNYMMVUDOF-LJQANCHMSA-N 0 0 448.560 3.666 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)COC ZINC000036121464 568958408 /nfs/dbraw/zinc/95/84/08/568958408.db2.gz OJUJHWWABALPOF-OXJNMPFZSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(C)C ZINC000036123112 568958527 /nfs/dbraw/zinc/95/85/27/568958527.db2.gz PCRAJTLJPUULNY-IBGZPJMESA-N 0 0 433.549 3.832 50 0 IHAARN O=C1C[C@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000036125685 568958866 /nfs/dbraw/zinc/95/88/66/568958866.db2.gz GYUKWEDKQGCWLF-IBGZPJMESA-N 0 0 429.398 3.757 50 0 IHAARN CCOc1ccccc1NC(=O)CCc1c(C)n(CC)c2nc(-c3ccccc3)nn2c1=O ZINC000064792280 568959278 /nfs/dbraw/zinc/95/92/78/568959278.db2.gz HGCUIIUANCITEC-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN Cc1ccc(CNC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)cc1 ZINC000064792557 568959413 /nfs/dbraw/zinc/95/94/13/568959413.db2.gz MBWMUWKXONTVKK-DEOSSOPVSA-N 0 0 436.519 3.748 50 0 IHAARN O=C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)Nc1ccc2c(c1)OCCCO2 ZINC000064814348 568963960 /nfs/dbraw/zinc/96/39/60/568963960.db2.gz NMVAYIVSGVJLTL-UHFFFAOYSA-N 0 0 449.385 3.626 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)NCCC(=O)NCc1ccc(OC(C)C)cc1 ZINC000064816895 568964372 /nfs/dbraw/zinc/96/43/72/568964372.db2.gz ZULLVFPUKZZTTM-UHFFFAOYSA-N 0 0 442.585 3.814 50 0 IHAARN O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCc1ccc(Cl)cc1 ZINC000064817740 568964868 /nfs/dbraw/zinc/96/48/68/568964868.db2.gz JJSGJYMJJIWNLE-UHFFFAOYSA-N 0 0 443.334 3.953 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064816271 568965020 /nfs/dbraw/zinc/96/50/20/568965020.db2.gz MAMCGWYIKICKBX-RUZDIDTESA-N 0 0 432.524 3.925 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164090 568967799 /nfs/dbraw/zinc/96/77/99/568967799.db2.gz HCFIUGDPAOERPS-QFIPXVFZSA-N 0 0 447.507 3.840 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1cccc(F)c1 ZINC000036166232 568968509 /nfs/dbraw/zinc/96/85/09/568968509.db2.gz JVIJBEWPUCTPMQ-QHCPKHFHSA-N 0 0 426.513 3.909 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000064835715 568968975 /nfs/dbraw/zinc/96/89/75/568968975.db2.gz KVBTWZSYSBCMOH-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)cc3F)c2=O)cc1 ZINC000064838530 568970032 /nfs/dbraw/zinc/97/00/32/568970032.db2.gz BSCBEZFJVSOXFD-UHFFFAOYSA-N 0 0 446.475 3.523 50 0 IHAARN CN(CCc1noc(C2CCCCC2)n1)S(=O)(=O)c1ccc(Br)s1 ZINC000064841175 568970114 /nfs/dbraw/zinc/97/01/14/568970114.db2.gz IIUGINHTEBZQMU-UHFFFAOYSA-N 0 0 434.381 3.805 50 0 IHAARN CN(CCc1noc(C2CCCCC2)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000064841153 568970117 /nfs/dbraw/zinc/97/01/17/568970117.db2.gz UKAIDUPTMFPDPQ-UHFFFAOYSA-N 0 0 428.352 3.743 50 0 IHAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 ZINC000064841366 568970121 /nfs/dbraw/zinc/97/01/21/568970121.db2.gz JMZCQMZAKONGLU-UHFFFAOYSA-N 0 0 448.932 3.520 50 0 IHAARN Cc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(C(C)C)cc3)no2)c1 ZINC000064841803 568970215 /nfs/dbraw/zinc/97/02/15/568970215.db2.gz GSGFMJRTGVONEB-UHFFFAOYSA-N 0 0 429.542 3.944 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c1 ZINC000064838658 568970290 /nfs/dbraw/zinc/97/02/90/568970290.db2.gz XKPJTQLSKDCBCF-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000064841542 568970392 /nfs/dbraw/zinc/97/03/92/568970392.db2.gz PJJLDARYXVFKDN-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN CCc1ccccc1S(=O)(=O)N(C)CCc1noc(COc2cc(C)cc(C)c2)n1 ZINC000064841892 568970412 /nfs/dbraw/zinc/97/04/12/568970412.db2.gz OVHUXLDJDSLXPI-UHFFFAOYSA-N 0 0 429.542 3.691 50 0 IHAARN CCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1cccc(C)c1 ZINC000064842376 568970832 /nfs/dbraw/zinc/97/08/32/568970832.db2.gz XVNVZIJUIBCWQF-UHFFFAOYSA-N 0 0 432.480 3.730 50 0 IHAARN CCOc1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1OC ZINC000064847110 568972200 /nfs/dbraw/zinc/97/22/00/568972200.db2.gz GYFCJTLPDUBCDL-UHFFFAOYSA-N 0 0 431.577 3.855 50 0 IHAARN Cc1c(C(=O)Nc2ccc(F)cc2F)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000064865871 568974053 /nfs/dbraw/zinc/97/40/53/568974053.db2.gz AZCDKMQTWLAFHJ-LBPRGKRZSA-N 0 0 425.501 3.593 50 0 IHAARN CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036209638 568974111 /nfs/dbraw/zinc/97/41/11/568974111.db2.gz UHQFVIHGKIZQOZ-UWJYYQICSA-N 0 0 441.597 3.560 50 0 IHAARN CC(C)CC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209775 568974270 /nfs/dbraw/zinc/97/42/70/568974270.db2.gz DNOIWGCZPRIMCS-QFIPXVFZSA-N 0 0 448.007 3.736 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210793 568975409 /nfs/dbraw/zinc/97/54/09/568975409.db2.gz QVAUWRPWUXQPKW-GBXCKJPGSA-N 0 0 449.595 3.807 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(SC)c2)c2ccccc2N1 ZINC000064869313 568975635 /nfs/dbraw/zinc/97/56/35/568975635.db2.gz IPGIPYIYZCKSQX-UHFFFAOYSA-N 0 0 425.510 3.643 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211976 568975789 /nfs/dbraw/zinc/97/57/89/568975789.db2.gz FTMJEBDSSUHGNE-AUSIDOKSSA-N 0 0 435.568 3.561 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036211986 568975869 /nfs/dbraw/zinc/97/58/69/568975869.db2.gz GGZGQILQLQRTOT-RDPSFJRHSA-N 0 0 449.595 3.869 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)NCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869544 568976156 /nfs/dbraw/zinc/97/61/56/568976156.db2.gz FPJHGPMXLXWWBD-UHFFFAOYSA-N 0 0 425.510 3.647 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036212831 568976639 /nfs/dbraw/zinc/97/66/39/568976639.db2.gz IMEQFZDSVZSIKQ-QHCPKHFHSA-N 0 0 435.568 3.514 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036213091 568976744 /nfs/dbraw/zinc/97/67/44/568976744.db2.gz GDLJJZWUIYCYDN-DYESRHJHSA-N 0 0 441.597 3.622 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036213124 568976819 /nfs/dbraw/zinc/97/68/19/568976819.db2.gz WHYRXNQCGHARHT-GBXCKJPGSA-N 0 0 449.595 3.869 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c3ccccc3n3c(-c4ccc(C)cc4)nnc3c2=O)cc1 ZINC000064871802 568977930 /nfs/dbraw/zinc/97/79/30/568977930.db2.gz IVRSDJRHFNMSAR-UHFFFAOYSA-N 0 0 437.503 3.644 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccccc3n3c(-c4ccc(C)cc4)nnc3c2=O)cc1 ZINC000064871760 568977958 /nfs/dbraw/zinc/97/79/58/568977958.db2.gz QYALZHLJIFVVCE-UHFFFAOYSA-N 0 0 439.475 3.667 50 0 IHAARN CC(C)c1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064888905 568979739 /nfs/dbraw/zinc/97/97/39/568979739.db2.gz KQWRBBXWIOBGER-UHFFFAOYSA-N 0 0 440.569 3.973 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064889412 568980027 /nfs/dbraw/zinc/98/00/27/568980027.db2.gz FLSKKQQUZSEYNA-UHFFFAOYSA-N 0 0 443.573 3.614 50 0 IHAARN CC(C)Cn1c2ccc(-c3noc(-c4ccccc4Br)n3)cc2[nH]c(=O)c1=O ZINC000064890936 568980912 /nfs/dbraw/zinc/98/09/12/568980912.db2.gz RHTYLJVEUIQCNA-UHFFFAOYSA-N 0 0 441.285 3.825 50 0 IHAARN CCCn1c2ccc(-c3noc(-c4cncc(Br)c4)n3)cc2nc(C)c1=O ZINC000064890448 568981304 /nfs/dbraw/zinc/98/13/04/568981304.db2.gz WBUBRHJDYMGQHX-UHFFFAOYSA-N 0 0 426.274 3.989 50 0 IHAARN Cc1nc2cc(-c3noc(CNC(=O)c4ccccc4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890474 568981352 /nfs/dbraw/zinc/98/13/52/568981352.db2.gz KKGIFAHRUHLFMQ-UHFFFAOYSA-N 0 0 429.480 3.800 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000064892416 568983429 /nfs/dbraw/zinc/98/34/29/568983429.db2.gz YXDQITOICUMLCQ-UHFFFAOYSA-N 0 0 426.991 3.939 50 0 IHAARN CC(C)CC(=O)N1CCN([C@@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252404 568984240 /nfs/dbraw/zinc/98/42/40/568984240.db2.gz YQRHZYCDHIAZAE-UKILVPOCSA-N 0 0 425.617 3.929 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036253240 568984286 /nfs/dbraw/zinc/98/42/86/568984286.db2.gz CGAXAANTWISHQP-QHCPKHFHSA-N 0 0 441.522 3.598 50 0 IHAARN CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036253149 568984304 /nfs/dbraw/zinc/98/43/04/568984304.db2.gz WMHDCLBWZZUXDI-IBGZPJMESA-N 0 0 426.388 3.836 50 0 IHAARN CCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251023 568984567 /nfs/dbraw/zinc/98/45/67/568984567.db2.gz YJHYDYKVESKSEU-IBGZPJMESA-N 0 0 426.388 3.788 50 0 IHAARN Cc1c(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922374 568986082 /nfs/dbraw/zinc/98/60/82/568986082.db2.gz PQIKXOYEWRCZHW-FQEVSTJZSA-N 0 0 429.586 3.562 50 0 IHAARN COc1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)c1 ZINC000064924655 568986188 /nfs/dbraw/zinc/98/61/88/568986188.db2.gz HCDYKKWBECGGAB-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN Cc1ccccc1CNC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928036 568986829 /nfs/dbraw/zinc/98/68/29/568986829.db2.gz IIKDHKCMULVFQA-UHFFFAOYSA-N 0 0 436.943 3.727 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCc2ccco2)cc1 ZINC000064928169 568987521 /nfs/dbraw/zinc/98/75/21/568987521.db2.gz REQGVRVPNJVNAT-QHCPKHFHSA-N 0 0 438.549 3.625 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928590 568987846 /nfs/dbraw/zinc/98/78/46/568987846.db2.gz VLOYDUPZUXILOM-CTNGQTDRSA-N 0 0 448.542 3.726 50 0 IHAARN Cc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)ccc2=O)cc1Cl ZINC000064928647 568987861 /nfs/dbraw/zinc/98/78/61/568987861.db2.gz KOMKBEOIFDTEOX-IBGZPJMESA-N 0 0 436.943 3.727 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929956 568988297 /nfs/dbraw/zinc/98/82/97/568988297.db2.gz UUKQWYDPKZDNDB-KRWDZBQOSA-N 0 0 444.463 3.811 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)NCc2ccccc2)s1 ZINC000064930532 568988850 /nfs/dbraw/zinc/98/88/50/568988850.db2.gz DRKKYWNJRVPNMN-QGZVFWFLSA-N 0 0 425.489 3.976 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)s2)cc1 ZINC000064940874 568989421 /nfs/dbraw/zinc/98/94/21/568989421.db2.gz JCMGHPIPSDASNR-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3OC)C[C@@H]12 ZINC000169677902 568990318 /nfs/dbraw/zinc/99/03/18/568990318.db2.gz VTOUSPFBLDDELW-PXNSSMCTSA-N 0 0 433.474 3.718 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1 ZINC000064941906 568991263 /nfs/dbraw/zinc/99/12/63/568991263.db2.gz KRNAAGHNTDLPJM-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@@H]12)N1CCCC1 ZINC000169681649 568992439 /nfs/dbraw/zinc/99/24/39/568992439.db2.gz UAELACLMJWRKMK-QUCCMNQESA-N 0 0 430.474 3.590 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4 ZINC000064945630 568992914 /nfs/dbraw/zinc/99/29/14/568992914.db2.gz UXVJNCFZQALNKL-UHFFFAOYSA-N 0 0 427.917 3.585 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1ccc(N2CCc3ccccc3C2)nn1 ZINC000064945327 568993618 /nfs/dbraw/zinc/99/36/18/568993618.db2.gz KVGIKGCTQGMLJA-UHFFFAOYSA-N 0 0 434.521 3.557 50 0 IHAARN Cc1ccc(C)c(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(F)cc3)c2=O)c1 ZINC000064946262 568994006 /nfs/dbraw/zinc/99/40/06/568994006.db2.gz DGAHTEXRKRNDMO-UHFFFAOYSA-N 0 0 434.496 3.725 50 0 IHAARN CC(C)CCn1c2nn(Cc3ccc(Br)cc3)c(=O)n2c2ccsc2c1=O ZINC000064946125 568994037 /nfs/dbraw/zinc/99/40/37/568994037.db2.gz DXPDNNCYLAXUMN-UHFFFAOYSA-N 0 0 447.358 3.729 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036304353 568994434 /nfs/dbraw/zinc/99/44/34/568994434.db2.gz XPQXATYAALEBHR-SFHVURJKSA-N 0 0 425.529 3.811 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2cccc(C)c2)no1 ZINC000064948496 568994503 /nfs/dbraw/zinc/99/45/03/568994503.db2.gz PWOMGBQITNDPTF-UHFFFAOYSA-N 0 0 439.493 3.788 50 0 IHAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)C2=O)c1 ZINC000064950890 568996096 /nfs/dbraw/zinc/99/60/96/568996096.db2.gz VXYWJMGSFSHRTJ-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)C2=O)c1 ZINC000064950879 568996127 /nfs/dbraw/zinc/99/61/27/568996127.db2.gz GNUYEGLCIZDHOE-UHFFFAOYSA-N 0 0 445.560 3.533 50 0 IHAARN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064950794 568996147 /nfs/dbraw/zinc/99/61/47/568996147.db2.gz LMHGBQYTBWMDPG-UHFFFAOYSA-N 0 0 447.988 3.739 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310567 568996673 /nfs/dbraw/zinc/99/66/73/568996673.db2.gz OIAXMPJPPQHVJB-QHCPKHFHSA-N 0 0 438.547 3.850 50 0 IHAARN CCC(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312101 568997516 /nfs/dbraw/zinc/99/75/16/568997516.db2.gz OMPAILYXUYIQCO-UHFFFAOYSA-N 0 0 426.492 3.764 50 0 IHAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)c1ccc(C)cc1 ZINC000036313459 568998483 /nfs/dbraw/zinc/99/84/83/568998483.db2.gz MQMHPUDRXFCMNS-UHFFFAOYSA-N 0 0 448.567 3.691 50 0 IHAARN CSc1cccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCCC4)ccc32)c1 ZINC000064956909 568999257 /nfs/dbraw/zinc/99/92/57/568999257.db2.gz BUEQTLZYHIBVOE-UHFFFAOYSA-N 0 0 438.557 3.601 50 0 IHAARN NC(=O)c1nc(-c2cccs2)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 ZINC000064965839 569001016 /nfs/dbraw/zinc/00/10/16/569001016.db2.gz IALXPFLKQCYTFQ-UHFFFAOYSA-N 0 0 445.479 3.597 50 0 IHAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)c1C ZINC000064970548 569076215 /nfs/dbraw/zinc/07/62/15/569076215.db2.gz GRLVODUXSKBGMB-UHFFFAOYSA-N 0 0 431.964 3.753 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138564764 569076627 /nfs/dbraw/zinc/07/66/27/569076627.db2.gz ZTLSBLCLYFIIBS-RCCFBDPRSA-N 0 0 446.732 3.638 50 0 IHAARN Cc1ccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 ZINC000064971545 569076715 /nfs/dbraw/zinc/07/67/15/569076715.db2.gz LXZHUECSHSBCRF-UHFFFAOYSA-N 0 0 446.482 3.836 50 0 IHAARN COc1cc(OC)cc(-c2nc3c4ccccc4n(Cc4ccc(F)cc4)c(=O)n3n2)c1 ZINC000064977866 569077751 /nfs/dbraw/zinc/07/77/51/569077751.db2.gz QNFNSJYIECSYHX-UHFFFAOYSA-N 0 0 430.439 3.916 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036345535 569080639 /nfs/dbraw/zinc/08/06/39/569080639.db2.gz HUQUNXZCNFMULZ-DEOSSOPVSA-N 0 0 433.552 3.948 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCC3)Oc3ccc(Cl)cc32)cc1 ZINC000064986100 569082082 /nfs/dbraw/zinc/08/20/82/569082082.db2.gz NAAQLBJNFGIEJJ-HXUWFJFHSA-N 0 0 434.945 3.664 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000064987705 569082703 /nfs/dbraw/zinc/08/27/03/569082703.db2.gz BEZRMXXYTZCUTB-UHFFFAOYSA-N 0 0 440.503 3.897 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1C ZINC000064987872 569082796 /nfs/dbraw/zinc/08/27/96/569082796.db2.gz WOIMWANROIIKTA-UHFFFAOYSA-N 0 0 431.514 3.760 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989135 569083043 /nfs/dbraw/zinc/08/30/43/569083043.db2.gz OLCCGMISQSLPSA-UHFFFAOYSA-N 0 0 429.524 3.833 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCCc4ccccc4)cc32)cc1 ZINC000064990783 569083479 /nfs/dbraw/zinc/08/34/79/569083479.db2.gz QRYCRGOQFLJOKC-UHFFFAOYSA-N 0 0 429.520 3.940 50 0 biogenic IHAARN Cc1ccc([C@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]32)cc1 ZINC000006831098 569083817 /nfs/dbraw/zinc/08/38/17/569083817.db2.gz CKBLYSLKUICESQ-MBSDFSHPSA-N 0 0 427.570 3.523 50 0 IHAARN Fc1ccc(Br)cc1-c1nnc2sc(-c3n[nH]cc3Br)nn21 ZINC000036358830 569085385 /nfs/dbraw/zinc/08/53/85/569085385.db2.gz CTNQCXWYLNDGQC-UHFFFAOYSA-N 0 0 444.087 3.907 50 0 IHAARN O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999659 569086187 /nfs/dbraw/zinc/08/61/87/569086187.db2.gz HNEWZQXUCXOQGJ-UHFFFAOYSA-N 0 0 446.525 3.827 50 0 IHAARN Cc1ccccc1NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999863 569086300 /nfs/dbraw/zinc/08/63/00/569086300.db2.gz BWIMFPUMSQVORM-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN CN1C=C(C(=O)N2CCCCCC2)C(=O)C1c1nc2cc(NC(=O)C3CC3)ccc2n1C ZINC000036365267 569086813 /nfs/dbraw/zinc/08/68/13/569086813.db2.gz MMSITDPZYDMOGH-UHFFFAOYSA-N 0 0 435.528 3.649 50 0 IHAARN CN(C)C(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(Br)cc1)n2C ZINC000065008409 569087532 /nfs/dbraw/zinc/08/75/32/569087532.db2.gz KQEDENVLONEQHC-UHFFFAOYSA-N 0 0 444.333 3.702 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)ncn2)cc1 ZINC000065007543 569087610 /nfs/dbraw/zinc/08/76/10/569087610.db2.gz KCYKOOXVXIUILH-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000036369841 569088381 /nfs/dbraw/zinc/08/83/81/569088381.db2.gz IDFMMQNTFLIVEQ-UHFFFAOYSA-N 0 0 431.496 3.719 50 0 biogenic IHAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC[C@H]3CCCO3)c2oc1C(=O)N1CCCCCC1 ZINC000065010967 569088422 /nfs/dbraw/zinc/08/84/22/569088422.db2.gz WGUKWXFGWDXHJD-GOSISDBHSA-N 0 0 448.585 3.832 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000036370442 569088536 /nfs/dbraw/zinc/08/85/36/569088536.db2.gz LBZWKNDPUBTGPH-WMLDXEAASA-N 0 0 432.521 3.562 50 0 IHAARN COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C ZINC000036370098 569088584 /nfs/dbraw/zinc/08/85/84/569088584.db2.gz IZVWZGRMAYBKFK-UHFFFAOYSA-N 0 0 439.560 3.958 50 0 biogenic IHAARN CCOc1ccc(-c2ccnc3c(C(=O)NCc4ccc(OC)c(OC)c4)cnn32)cc1 ZINC000065026699 569090005 /nfs/dbraw/zinc/09/00/05/569090005.db2.gz ACVSBBKSFFPBBE-UHFFFAOYSA-N 0 0 432.480 3.742 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC[C@@H]4CCCO4)no3)cc2)c1 ZINC000065027143 569090157 /nfs/dbraw/zinc/09/01/57/569090157.db2.gz PUMFCJRYQDFITH-FQEVSTJZSA-N 0 0 435.480 3.723 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc(COc2ccc(NC(=O)c3ccccc3F)cc2)on1 ZINC000065027104 569090160 /nfs/dbraw/zinc/09/01/60/569090160.db2.gz MYOFNKAYDOSBEF-QGZVFWFLSA-N 0 0 439.443 3.554 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)Nc1cc(F)ccc1F ZINC000065025841 569090889 /nfs/dbraw/zinc/09/08/89/569090889.db2.gz YJCDJMXLAHXCTD-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1 ZINC000065030729 569091318 /nfs/dbraw/zinc/09/13/18/569091318.db2.gz ZYBCZKLCGZCASQ-UHFFFAOYSA-N 0 0 437.569 3.766 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(Cl)ccc2n1 ZINC000065033399 569091457 /nfs/dbraw/zinc/09/14/57/569091457.db2.gz HJKCYIDVHZEFSH-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)cc1Cl ZINC000065034809 569092296 /nfs/dbraw/zinc/09/22/96/569092296.db2.gz WDUGVYXNAWJBPT-UHFFFAOYSA-N 0 0 425.916 3.506 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)c(OC)c1 ZINC000065034982 569092528 /nfs/dbraw/zinc/09/25/28/569092528.db2.gz ZNFDWQYDPJEXTD-UHFFFAOYSA-N 0 0 445.878 3.747 50 0 IHAARN COc1cc(NC(=O)Cn2c(=O)cc(C)nc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000169752822 569093269 /nfs/dbraw/zinc/09/32/69/569093269.db2.gz WVOFTNMZEPLZDX-UHFFFAOYSA-N 0 0 443.887 3.537 50 0 IHAARN O=C(c1ccc(F)cc1F)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 ZINC000169755046 569093406 /nfs/dbraw/zinc/09/34/06/569093406.db2.gz SLYKDISKVQYORD-UHFFFAOYSA-N 0 0 436.256 3.641 50 0 IHAARN COc1cc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc(OC)c1OC ZINC000169755211 569093522 /nfs/dbraw/zinc/09/35/22/569093522.db2.gz QNMMDFIUJTWIMG-ZDUSSCGKSA-N 0 0 429.860 3.936 50 0 IHAARN O=C(Cc1ccccc1Br)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169754072 569093702 /nfs/dbraw/zinc/09/37/02/569093702.db2.gz FIAKYJZAHVRGLG-KRWDZBQOSA-N 0 0 443.320 3.916 50 0 IHAARN O=C(Cc1ccccc1Br)N[C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000169754175 569093721 /nfs/dbraw/zinc/09/37/21/569093721.db2.gz MWYFPJRVXBBJIH-CQSZACIVSA-N 0 0 431.359 3.838 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1 ZINC000169753915 569093738 /nfs/dbraw/zinc/09/37/38/569093738.db2.gz LSZDCHSKGUNZOE-QGZVFWFLSA-N 0 0 436.512 3.501 50 0 IHAARN CCOc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1OCC ZINC000169754195 569093850 /nfs/dbraw/zinc/09/38/50/569093850.db2.gz FKRFRBUPLOAMEC-QGZVFWFLSA-N 0 0 440.569 3.873 50 0 IHAARN COc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1F ZINC000169754865 569093865 /nfs/dbraw/zinc/09/38/65/569093865.db2.gz LLGUYAHAJLDIFF-UHFFFAOYSA-N 0 0 448.292 3.511 50 0 IHAARN CCCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c(-c2ccc(F)cc2)n1 ZINC000169756987 569093917 /nfs/dbraw/zinc/09/39/17/569093917.db2.gz FVIKJOVTRSHOPF-UHFFFAOYSA-N 0 0 425.460 3.658 50 0 IHAARN O=C(CCc1ccccc1)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754872 569093939 /nfs/dbraw/zinc/09/39/39/569093939.db2.gz BRFHDYNTHUWDCG-UHFFFAOYSA-N 0 0 428.330 3.682 50 0 IHAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000169757821 569094009 /nfs/dbraw/zinc/09/40/09/569094009.db2.gz RSWNHISZAVLKCL-LJQANCHMSA-N 0 0 446.290 3.818 50 0 IHAARN CC(C)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000169757867 569094190 /nfs/dbraw/zinc/09/41/90/569094190.db2.gz NIZYVYBMTXXANV-OAQYLSRUSA-N 0 0 439.899 3.979 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3C)C4)n2)c(OC)c1 ZINC000169758523 569094490 /nfs/dbraw/zinc/09/44/90/569094490.db2.gz VTGPZUZAZYHMAO-HXUWFJFHSA-N 0 0 433.468 3.901 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000065058807 569095557 /nfs/dbraw/zinc/09/55/57/569095557.db2.gz UUTGUZAFFXUWCC-XMMPIXPASA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)N5CCCCC5)CC4)sc3n2)cc1 ZINC000006876786 569095588 /nfs/dbraw/zinc/09/55/88/569095588.db2.gz UIBQYHCJDMZWCC-UHFFFAOYSA-N 0 0 425.558 3.695 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cc(OC)cc(OC)c3)C2)c1 ZINC000065058865 569095640 /nfs/dbraw/zinc/09/56/40/569095640.db2.gz HZFZAUJKERRDHS-DEOSSOPVSA-N 0 0 441.528 3.663 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)c1 ZINC000065059444 569096077 /nfs/dbraw/zinc/09/60/77/569096077.db2.gz FZYHOWKTHXJXLR-DEOSSOPVSA-N 0 0 444.597 3.728 50 0 IHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000065059487 569096107 /nfs/dbraw/zinc/09/61/07/569096107.db2.gz MDHJRUBSUJQZRW-DEOSSOPVSA-N 0 0 444.572 3.812 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N1CCC(c2nc3ccccc3s2)CC1 ZINC000036390040 569096679 /nfs/dbraw/zinc/09/66/79/569096679.db2.gz XMSNOZBJEWQKIQ-KPFFTGBYSA-N 0 0 444.626 3.728 50 0 IHAARN NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000036389882 569096722 /nfs/dbraw/zinc/09/67/22/569096722.db2.gz CGBDDCGPZCYWCG-DQEYMECFSA-N 0 0 440.547 3.857 50 0 IHAARN C[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061756 569096814 /nfs/dbraw/zinc/09/68/14/569096814.db2.gz BSXNJTYVKCBUIM-AWEZNQCLSA-N 0 0 426.991 3.755 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062631 569097152 /nfs/dbraw/zinc/09/71/52/569097152.db2.gz XBGOURRTEHAHKS-UHFFFAOYSA-N 0 0 432.908 3.764 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(C4(c5ccccc5)CC4)n3)ccc21)N1CCCC1 ZINC000065075965 569099230 /nfs/dbraw/zinc/09/92/30/569099230.db2.gz OHDKKEMBWUTLIN-UHFFFAOYSA-N 0 0 428.496 3.574 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(OC)c2)c1 ZINC000065075267 569099535 /nfs/dbraw/zinc/09/95/35/569099535.db2.gz HQUACIWPUZIJAH-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21 ZINC000065075689 569099765 /nfs/dbraw/zinc/09/97/65/569099765.db2.gz ZYRWTSNQZBUHFK-UHFFFAOYSA-N 0 0 440.935 3.887 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1F ZINC000065077456 569100260 /nfs/dbraw/zinc/10/02/60/569100260.db2.gz YAKJWRSURIWMSS-CYBMUJFWSA-N 0 0 436.530 3.759 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077492 569100289 /nfs/dbraw/zinc/10/02/89/569100289.db2.gz YGOBETSKAKOCOU-ZDUSSCGKSA-N 0 0 436.530 3.759 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1F ZINC000065077990 569100704 /nfs/dbraw/zinc/10/07/04/569100704.db2.gz OKHBVITUOWASIP-ZDUSSCGKSA-N 0 0 436.530 3.759 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2ccncc2)c(OC)c1 ZINC000065083406 569102267 /nfs/dbraw/zinc/10/22/67/569102267.db2.gz MSLPWVXAHNPBJL-UHFFFAOYSA-N 0 0 447.470 3.724 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000065085281 569102765 /nfs/dbraw/zinc/10/27/65/569102765.db2.gz PTBIKMSLWNYZNP-UHFFFAOYSA-N 0 0 426.563 3.852 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780466 569102978 /nfs/dbraw/zinc/10/29/78/569102978.db2.gz SWGXZGOGKLGMBT-DEOSSOPVSA-N 0 0 432.568 3.831 50 0 IHAARN CCN1C(=O)COc2ccc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc21 ZINC000065098289 569104670 /nfs/dbraw/zinc/10/46/70/569104670.db2.gz UEWCINWOGIDBTN-AWEZNQCLSA-N 0 0 438.871 3.656 50 0 IHAARN Cc1cccc(N(C)C(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)c1 ZINC000065099551 569105200 /nfs/dbraw/zinc/10/52/00/569105200.db2.gz FKUGMFHZORRQHO-UHFFFAOYSA-N 0 0 432.553 3.946 50 0 IHAARN Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000065101769 569105943 /nfs/dbraw/zinc/10/59/43/569105943.db2.gz OEKFMBKNYWWBRP-UHFFFAOYSA-N 0 0 435.503 3.577 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000065111904 569107772 /nfs/dbraw/zinc/10/77/72/569107772.db2.gz DLHPMCVINAFPPH-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3OC)c2c1=O ZINC000065113527 569108419 /nfs/dbraw/zinc/10/84/19/569108419.db2.gz GSQJZOLADJRBHJ-UHFFFAOYSA-N 0 0 446.507 3.549 50 0 IHAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1 ZINC000065117859 569108802 /nfs/dbraw/zinc/10/88/02/569108802.db2.gz BZMUIJUKQKZQIG-UHFFFAOYSA-N 0 0 431.418 3.675 50 0 IHAARN COc1cccc(CCC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1 ZINC000065118011 569108908 /nfs/dbraw/zinc/10/89/08/569108908.db2.gz DMTICGPQSBVEDW-UHFFFAOYSA-N 0 0 435.528 3.545 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1 ZINC000065117959 569108914 /nfs/dbraw/zinc/10/89/14/569108914.db2.gz XOHLMZZUFBJLTN-UHFFFAOYSA-N 0 0 435.528 3.545 50 0 IHAARN O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1 ZINC000065130164 569109048 /nfs/dbraw/zinc/10/90/48/569109048.db2.gz WZGXFUGUIWHNDP-UHFFFAOYSA-N 0 0 435.430 3.593 50 0 IHAARN CCc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)cc1 ZINC000065130281 569109180 /nfs/dbraw/zinc/10/91/80/569109180.db2.gz BQVYKXNYGRANHK-UHFFFAOYSA-N 0 0 441.531 3.872 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cc(C)cc(C)c3)nn2)C1 ZINC000065132096 569109735 /nfs/dbraw/zinc/10/97/35/569109735.db2.gz LVGWRKKYGXOTOM-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)C1 ZINC000065132199 569109771 /nfs/dbraw/zinc/10/97/71/569109771.db2.gz ZOJQLIBXDOQIGK-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)C1 ZINC000065132122 569109795 /nfs/dbraw/zinc/10/97/95/569109795.db2.gz VJKLOXQPKKXDDA-HNNXBMFYSA-N 0 0 447.992 3.603 50 0 IHAARN O=C(CN1c2ccccc2[C@](O)(c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065155715 569111891 /nfs/dbraw/zinc/11/18/91/569111891.db2.gz MUSIHEDTWYQYOH-JOCHJYFZSA-N 0 0 426.394 3.927 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)[C@H](C(=O)N1CCCC1)C2 ZINC000065166928 569112600 /nfs/dbraw/zinc/11/26/00/569112600.db2.gz XKQIXUXRJZVZHQ-NRFANRHFSA-N 0 0 439.943 3.878 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1 ZINC000065166250 569112606 /nfs/dbraw/zinc/11/26/06/569112606.db2.gz FKDGEKKCAZDNFO-UHFFFAOYSA-N 0 0 427.932 3.845 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065169180 569112646 /nfs/dbraw/zinc/11/26/46/569112646.db2.gz ARDHLLAIJCIXJN-UHFFFAOYSA-N 0 0 448.317 3.792 50 0 IHAARN O=S(=O)(c1ccccc1Br)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065169192 569112701 /nfs/dbraw/zinc/11/27/01/569112701.db2.gz AMCHQBWGGXALNM-UHFFFAOYSA-N 0 0 448.317 3.792 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCN(c3ccccc3)C2=O)cc1 ZINC000065172538 569113048 /nfs/dbraw/zinc/11/30/48/569113048.db2.gz HBKBNVMXBLXLNC-UHFFFAOYSA-N 0 0 426.476 3.635 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccc(F)cc1)N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000065183336 569113868 /nfs/dbraw/zinc/11/38/68/569113868.db2.gz MEPWLAGIAMSAST-UHFFFAOYSA-N 0 0 429.517 3.500 50 0 IHAARN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)s1 ZINC000065183510 569113945 /nfs/dbraw/zinc/11/39/45/569113945.db2.gz JNTFSJLQZREFRM-UHFFFAOYSA-N 0 0 432.615 3.955 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4cccc(Cl)c4C)CC3=O)ccc21 ZINC000065195363 569115319 /nfs/dbraw/zinc/11/53/19/569115319.db2.gz BOKNUQNJQDHVJN-INIZCTEOSA-N 0 0 425.916 3.939 50 0 IHAARN CSc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1 ZINC000065195517 569115409 /nfs/dbraw/zinc/11/54/09/569115409.db2.gz FIRZPBNDZFYHOK-KRWDZBQOSA-N 0 0 435.549 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569116642 /nfs/dbraw/zinc/11/66/42/569116642.db2.gz NYOXZAQDGHNUIL-UHFFFAOYSA-N 0 0 429.590 3.617 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)CC1 ZINC000065216258 569117084 /nfs/dbraw/zinc/11/70/84/569117084.db2.gz JNQPOGYQIJTOCL-UHFFFAOYSA-N 0 0 448.571 3.843 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1 ZINC000065228019 569117615 /nfs/dbraw/zinc/11/76/15/569117615.db2.gz QMTGGWRONMFVGN-VQIMIIECSA-N 0 0 432.528 3.888 50 0 IHAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCCn2nc(-c3ccncc3)cc2C1 ZINC000065225531 569117860 /nfs/dbraw/zinc/11/78/60/569117860.db2.gz PULWPOOMHSDJLF-UHFFFAOYSA-N 0 0 425.876 3.823 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)o2)cc1 ZINC000065229710 569118237 /nfs/dbraw/zinc/11/82/37/569118237.db2.gz QAEFLANGLAFIBU-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN COc1ccc(CNC(=O)c2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)cs2)cc1 ZINC000065230556 569118263 /nfs/dbraw/zinc/11/82/63/569118263.db2.gz VFPCGTPPNFGWSK-UHFFFAOYSA-N 0 0 436.449 3.527 50 0 IHAARN Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000065228530 569118374 /nfs/dbraw/zinc/11/83/74/569118374.db2.gz IJKZPLMCBWEMAB-UHFFFAOYSA-N 0 0 429.524 3.617 50 0 IHAARN COc1ccccc1CC(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1 ZINC000065232233 569118865 /nfs/dbraw/zinc/11/88/65/569118865.db2.gz PYBINHAEMNOOHM-UHFFFAOYSA-N 0 0 425.529 3.566 50 0 IHAARN CCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cc2C1=O ZINC000065241572 569118924 /nfs/dbraw/zinc/11/89/24/569118924.db2.gz LWNFGYKRMHZAPK-UHFFFAOYSA-N 0 0 431.420 3.933 50 0 IHAARN O=c1c2snc(-c3ccccn3)c2n(Cc2ccc(F)cc2Cl)c(=O)n1C1CC1 ZINC000065233145 569119073 /nfs/dbraw/zinc/11/90/73/569119073.db2.gz MRRHVABNGHCNLK-UHFFFAOYSA-N 0 0 428.876 3.857 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239247 569120219 /nfs/dbraw/zinc/12/02/19/569120219.db2.gz GIXLJXJNVUAVKI-MRXNPFEDSA-N 0 0 431.602 3.910 50 0 IHAARN C=C1C(N2CCC(NC(=O)C(C)(C)CC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 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UACVTGQDTSDCFN-UHFFFAOYSA-N 0 0 438.919 3.846 50 0 IHAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(OCC)cc3)CC2)n1 ZINC000065258057 569124199 /nfs/dbraw/zinc/12/41/99/569124199.db2.gz HQRVWLIGWBWMQV-UHFFFAOYSA-N 0 0 435.528 3.835 50 0 IHAARN CCn1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NCc2ccccc2)n1 ZINC000065259930 569124817 /nfs/dbraw/zinc/12/48/17/569124817.db2.gz BIMKLVKXENMJKS-RUZDIDTESA-N 0 0 428.540 3.823 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1Cl ZINC000065272741 569129108 /nfs/dbraw/zinc/12/91/08/569129108.db2.gz QLUOSYDLJJFUAY-ZDUSSCGKSA-N 0 0 434.945 3.626 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)cc2C)CC3)CC1 ZINC000065273282 569129371 /nfs/dbraw/zinc/12/93/71/569129371.db2.gz LUERHWZFVSLRRC-OAHLLOKOSA-N 0 0 432.977 3.517 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(C(C)(C)C)c2)CC3)CC1 ZINC000065273395 569129443 /nfs/dbraw/zinc/12/94/43/569129443.db2.gz UXEPOWUVBKZKKG-KRWDZBQOSA-N 0 0 440.613 3.853 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273589 569129707 /nfs/dbraw/zinc/12/97/07/569129707.db2.gz MFRKXUBCWAEETE-SFHVURJKSA-N 0 0 440.613 3.808 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036646689 569130351 /nfs/dbraw/zinc/13/03/51/569130351.db2.gz PFNXMUMYLJYQIC-HDICACEKSA-N 0 0 442.581 3.560 50 0 IHAARN CCCn1c2ccccc2n2nc(C(=O)NCCCN3CCCc4ccccc43)cc2c1=O ZINC000065292331 569130743 /nfs/dbraw/zinc/13/07/43/569130743.db2.gz KWAAFVMEQQAUGP-UHFFFAOYSA-N 0 0 443.551 3.632 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)Cn1ncc2c1ncnc2N1CCC(C)CC1 ZINC000065295587 569131488 /nfs/dbraw/zinc/13/14/88/569131488.db2.gz RCJSKCHQDAECRP-UHFFFAOYSA-N 0 0 443.349 3.772 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCCN(C(=O)c5ccoc5)CC4)nc32)cc1 ZINC000065299976 569132278 /nfs/dbraw/zinc/13/22/78/569132278.db2.gz ADEYGFVWXVICJS-UHFFFAOYSA-N 0 0 437.525 3.745 50 0 IHAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000065315469 569133998 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ZINC000089958904 569168824 /nfs/dbraw/zinc/16/88/24/569168824.db2.gz QUAWETCFOLUDKY-UHFFFAOYSA-N 0 0 446.548 3.831 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3)s2)cc1OC ZINC000016991898 569169650 /nfs/dbraw/zinc/16/96/50/569169650.db2.gz UKYOSJCQWBVHAB-UHFFFAOYSA-N 0 0 443.500 3.572 50 0 IHAARN Cc1ccc(C)c(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)c1 ZINC000017026254 569171096 /nfs/dbraw/zinc/17/10/96/569171096.db2.gz WGKVXOBYCLCTHP-UHFFFAOYSA-N 0 0 432.524 3.571 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1C ZINC000017051944 569171856 /nfs/dbraw/zinc/17/18/56/569171856.db2.gz KGFWTRJLLTYLSX-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1 ZINC000017051938 569171907 /nfs/dbraw/zinc/17/19/07/569171907.db2.gz BSUFCFYZGPJRBJ-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 ZINC000017051017 569171927 /nfs/dbraw/zinc/17/19/27/569171927.db2.gz VBGIAGLGFWYDCP-UHFFFAOYSA-N 0 0 448.591 3.999 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1 ZINC000017118954 569174123 /nfs/dbraw/zinc/17/41/23/569174123.db2.gz BJECVKLIMSAUGT-MRXNPFEDSA-N 0 0 429.973 3.764 50 0 IHAARN COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)NCc3ccc(OC)cc3)sc2=S)c1 ZINC000017121473 569174254 /nfs/dbraw/zinc/17/42/54/569174254.db2.gz DEQHPGAWWAOCIC-UHFFFAOYSA-N 0 0 443.550 3.884 50 0 IHAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1ccc(Cl)cc1 ZINC000017178009 569175520 /nfs/dbraw/zinc/17/55/20/569175520.db2.gz PGPASKCRPPBEPV-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000017176176 569175530 /nfs/dbraw/zinc/17/55/30/569175530.db2.gz MVGDVOCCVZOLOI-LKUDQCMESA-N 0 0 425.532 3.802 50 0 IHAARN O=C(Nc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O ZINC000017178867 569175638 /nfs/dbraw/zinc/17/56/38/569175638.db2.gz YZNCUGAPRIXZMO-UHFFFAOYSA-N 0 0 426.904 3.501 50 0 IHAARN O=C(CCCc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000017178778 569175691 /nfs/dbraw/zinc/17/56/91/569175691.db2.gz XACVCUMRZJJASM-UHFFFAOYSA-N 0 0 439.943 3.776 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Oc1c(=O)c2ccccc2oc1-c1ccccc1 ZINC000000936005 569176299 /nfs/dbraw/zinc/17/62/99/569176299.db2.gz HJEXXXPBHDNECQ-UHFFFAOYSA-N 0 0 425.396 3.662 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001079039 569176718 /nfs/dbraw/zinc/17/67/18/569176718.db2.gz RDEAFSMGJPWJNV-MRXNPFEDSA-N 0 0 428.485 3.710 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccccc1F ZINC000002877202 569177692 /nfs/dbraw/zinc/17/76/92/569177692.db2.gz JTXMABDXBKUDOZ-UHFFFAOYSA-N 0 0 440.496 3.985 50 0 IHAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000170636970 569178317 /nfs/dbraw/zinc/17/83/17/569178317.db2.gz TVVXSNKXYHGULA-ZCNNSNEGSA-N 0 0 432.517 3.512 50 0 IHAARN CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 ZINC000002087801 569178420 /nfs/dbraw/zinc/17/84/20/569178420.db2.gz UWSRKUIOGUFOIB-QFIPXVFZSA-N 0 0 426.520 3.723 50 0 biogenic IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O ZINC000002087725 569178431 /nfs/dbraw/zinc/17/84/31/569178431.db2.gz ROVKXANRMCNNOH-RDPSFJRHSA-N 0 0 436.508 3.999 50 0 biogenic IHAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O ZINC000002087729 569178450 /nfs/dbraw/zinc/17/84/50/569178450.db2.gz ROVKXANRMCNNOH-HYBUGGRVSA-N 0 0 436.508 3.999 50 0 biogenic IHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N23)c1 ZINC000002100701 569179665 /nfs/dbraw/zinc/17/96/65/569179665.db2.gz ZRMGYFFYBVKXNF-WIOPSUGQSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 ZINC000002105682 569181050 /nfs/dbraw/zinc/18/10/50/569181050.db2.gz KWADPUSLUQDVEO-SIBVEZHUSA-N 0 0 436.552 3.521 50 0 biogenic IHAARN Cc1ccccc1[C@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@H](C)CO1 ZINC000170640522 569181056 /nfs/dbraw/zinc/18/10/56/569181056.db2.gz CMGVEGHGRCXSIE-BFUOFWGJSA-N 0 0 447.318 3.886 50 0 IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N23)cc1 ZINC000002111896 569181960 /nfs/dbraw/zinc/18/19/60/569181960.db2.gz SDAVSHBEXSOEJO-WIOPSUGQSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1Cl)NCc1ccccc1 ZINC000009407596 569182951 /nfs/dbraw/zinc/18/29/51/569182951.db2.gz DSSUYKVSUONYDJ-UHFFFAOYSA-N 0 0 432.911 3.742 50 0 IHAARN C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002122872 569183572 /nfs/dbraw/zinc/18/35/72/569183572.db2.gz VQJMILKSUUHGTB-RJYGXOMWSA-N 0 0 425.525 3.593 50 0 biogenic IHAARN CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000252452359 569184142 /nfs/dbraw/zinc/18/41/42/569184142.db2.gz DPAMMKGSFOJVOU-KZNAEPCWSA-N 0 0 435.590 3.706 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)CC1(n2cccc2)CCSCC1 ZINC000252481214 569186485 /nfs/dbraw/zinc/18/64/85/569186485.db2.gz CIRYZFOAXMXSDQ-GOSISDBHSA-N 0 0 426.586 3.974 50 0 IHAARN O=C(COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1)Nc1cccc2c1N=S=N2 ZINC000252486070 569186543 /nfs/dbraw/zinc/18/65/43/569186543.db2.gz DNUJLPZOFKUAPJ-XYPHTWIQSA-N 0 0 438.513 3.522 50 0 IHAARN CC[C@H](C)N1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002154332 569187431 /nfs/dbraw/zinc/18/74/31/569187431.db2.gz TWOWLNZKJAGDBM-PCKXHRCSSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252496576 569187980 /nfs/dbraw/zinc/18/79/80/569187980.db2.gz PLYYJXHJEUESFG-JOCHJYFZSA-N 0 0 430.508 3.619 50 0 IHAARN C[C@@H]1CC[C@H](C(=O)OCc2ccc(Br)cc2COC(=O)[C@H]2CC[C@@H](C)O2)O1 ZINC000252500080 569188032 /nfs/dbraw/zinc/18/80/32/569188032.db2.gz SMVFDYNPKAIUFG-XHSVMWQWSA-N 0 0 441.318 3.671 50 0 IHAARN COc1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1OCc1ccccc1 ZINC000252507455 569188216 /nfs/dbraw/zinc/18/82/16/569188216.db2.gz WMFWCRYMTAXSPV-BKULYWANSA-N 0 0 425.525 3.660 50 0 IHAARN CC(C)[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000252536967 569190015 /nfs/dbraw/zinc/19/00/15/569190015.db2.gz JZKUFBYSZOZQFQ-JOCHJYFZSA-N 0 0 432.528 3.626 50 0 IHAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccccc1F ZINC000037399043 569194209 /nfs/dbraw/zinc/19/42/09/569194209.db2.gz NIXLSPHZIWYRFW-UHFFFAOYSA-N 0 0 433.531 3.986 50 0 IHAARN CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCC(C)C)c2=O)cc1 ZINC000037403338 569194905 /nfs/dbraw/zinc/19/49/05/569194905.db2.gz CFKPSWOVMAMTMN-HNNXBMFYSA-N 0 0 443.931 3.538 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(=O)c2cccs2)ccc1OC ZINC000037401234 569195137 /nfs/dbraw/zinc/19/51/37/569195137.db2.gz PMIMIOHBHMIENT-UHFFFAOYSA-N 0 0 435.523 3.921 50 0 IHAARN O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1)NC1CC1 ZINC000037426495 569195671 /nfs/dbraw/zinc/19/56/71/569195671.db2.gz QDRDBLFIKMPXLU-UHFFFAOYSA-N 0 0 428.489 3.930 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000252617461 569197777 /nfs/dbraw/zinc/19/77/77/569197777.db2.gz KTENBXQFCAFJKA-UMVUMHCHSA-N 0 0 442.540 3.738 50 0 IHAARN O=C(NCCc1ccccc1)c1cccc(CN2C(=O)C[C@@H](c3ccc(F)cc3)NC2=O)c1 ZINC000037553786 569200351 /nfs/dbraw/zinc/20/03/51/569200351.db2.gz KDEOXPCGVBTWLR-QHCPKHFHSA-N 0 0 445.494 3.981 50 0 IHAARN O=C(c1ccccc1)N1CCCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000037554580 569200580 /nfs/dbraw/zinc/20/05/80/569200580.db2.gz PZMAIYPJEXFFRS-UHFFFAOYSA-N 0 0 438.491 3.890 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccc(Cl)cc2)c1=O ZINC000037559183 569200826 /nfs/dbraw/zinc/20/08/26/569200826.db2.gz XSVKPDPHLRLVNX-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000066089731 569205726 /nfs/dbraw/zinc/20/57/26/569205726.db2.gz ZQMRLJXWRAPBKS-MRXNPFEDSA-N 0 0 430.432 3.561 50 0 IHAARN CCN(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)c1ccc(OC)cc1 ZINC000003015519 569211293 /nfs/dbraw/zinc/21/12/93/569211293.db2.gz HMJTYGXZRGOISQ-UHFFFAOYSA-N 0 0 447.535 3.898 50 0 IHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000002721984 569212774 /nfs/dbraw/zinc/21/27/74/569212774.db2.gz CPMJPESYAYMMQN-UHFFFAOYSA-N 0 0 443.525 3.627 50 0 IHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002249884 569214852 /nfs/dbraw/zinc/21/48/52/569214852.db2.gz CYGSIFGDUIMDIJ-MJGOQNOKSA-N 0 0 432.542 3.942 50 0 IHAARN Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccccc1Br ZINC000009300447 569215198 /nfs/dbraw/zinc/21/51/98/569215198.db2.gz FJMDZVXJLNVYJJ-UHFFFAOYSA-N 0 0 426.230 3.784 50 0 IHAARN CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 ZINC000002261490 569215845 /nfs/dbraw/zinc/21/58/45/569215845.db2.gz IFMSDBZYHQDMAH-UNOMPAQXSA-N 0 0 437.952 3.601 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c(OC)c1 ZINC000002255025 569216755 /nfs/dbraw/zinc/21/67/55/569216755.db2.gz CHFZDGOTGZHVSG-UHFFFAOYSA-N 0 0 431.496 3.846 50 0 IHAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(C(C)C)C2 ZINC000002272207 569217661 /nfs/dbraw/zinc/21/76/61/569217661.db2.gz DLKJJZWTUXHQKC-UHFFFAOYSA-N 0 0 431.583 3.818 50 0 IHAARN COc1ccc([C@H](CC(=O)N[C@@H]2CCCC[C@@H]2C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019925654 569257134 /nfs/dbraw/zinc/25/71/34/569257134.db2.gz KKONREIPCXSWSA-USCONSEESA-N 0 0 448.560 3.939 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c(OC)cc1C ZINC000231423380 569259035 /nfs/dbraw/zinc/25/90/35/569259035.db2.gz GELXKIADRVVPRO-UHFFFAOYSA-N 0 0 445.368 3.830 50 0 IHAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000253394448 569264429 /nfs/dbraw/zinc/26/44/29/569264429.db2.gz ACYAPTBUROUIIL-IIMDRIAPSA-N 0 0 430.549 3.526 50 0 biogenic IHAARN O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F ZINC000253409140 569265584 /nfs/dbraw/zinc/26/55/84/569265584.db2.gz ZNWUKBUKZKLXIR-INIZCTEOSA-N 0 0 449.497 3.923 50 0 IHAARN COc1cccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@](O)(C(F)(F)F)C2)c1 ZINC000027570405 569273224 /nfs/dbraw/zinc/27/32/24/569273224.db2.gz VQQLURCMESRZBH-OAQYLSRUSA-N 0 0 436.430 3.887 50 0 IHAARN COc1ccc(OCC(=O)NCc2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 ZINC000002365241 569288308 /nfs/dbraw/zinc/28/83/08/569288308.db2.gz LRRBBAWDOCHXTP-UHFFFAOYSA-N 0 0 439.475 3.648 50 0 IHAARN CCOC(=O)C1=C(C)OC(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008873978 569291800 /nfs/dbraw/zinc/29/18/00/569291800.db2.gz CARDOQVWTWTWCO-GOSISDBHSA-N 0 0 433.913 3.893 50 0 IHAARN Cc1cc(C)n2nc(C(=O)N(C/C=C/c3ccccc3)c3ccc4c(c3)OCCO4)nc2n1 ZINC000009223972 569294491 /nfs/dbraw/zinc/29/44/91/569294491.db2.gz XPXIHZQZIVYKHH-RMKNXTFCSA-N 0 0 441.491 3.873 50 0 IHAARN CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)c1 ZINC000002388843 569295944 /nfs/dbraw/zinc/29/59/44/569295944.db2.gz KCXXRSYHBAGYPU-UHFFFAOYSA-N 0 0 435.912 3.969 50 0 IHAARN COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1OC ZINC000002397426 569298581 /nfs/dbraw/zinc/29/85/81/569298581.db2.gz JCZVZEIAMSYBMY-PXNMLYILSA-N 0 0 434.304 3.690 50 0 IHAARN COc1cc(NC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)cc1Cl ZINC000002431059 569303260 /nfs/dbraw/zinc/30/32/60/569303260.db2.gz ZXFSMUQFMFIBNC-UHFFFAOYSA-N 0 0 429.256 3.605 50 0 IHAARN CSCC[C@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O ZINC000013027337 569307323 /nfs/dbraw/zinc/30/73/23/569307323.db2.gz RKEXZYLXQKLTEU-MRXNPFEDSA-N 0 0 433.327 3.806 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000013030369 569307498 /nfs/dbraw/zinc/30/74/98/569307498.db2.gz MUUJFWNOFXAXQL-UHFFFAOYSA-N 0 0 448.894 3.744 50 0 IHAARN Cc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000013038921 569307824 /nfs/dbraw/zinc/30/78/24/569307824.db2.gz FKSBCNYXUWZNET-QGZVFWFLSA-N 0 0 428.554 3.646 50 0 IHAARN COc1cc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)cc(OC)c1OC ZINC000013112233 569310334 /nfs/dbraw/zinc/31/03/34/569310334.db2.gz HPWSCLAYQOCCNJ-CYBMUJFWSA-N 0 0 429.498 3.906 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000013112441 569310492 /nfs/dbraw/zinc/31/04/92/569310492.db2.gz WCDQVTYJXRQYRG-KRWDZBQOSA-N 0 0 432.542 3.584 50 0 IHAARN CCc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013148860 569312161 /nfs/dbraw/zinc/31/21/61/569312161.db2.gz QVMQCTFINNEUPM-UHFFFAOYSA-N 0 0 444.553 3.528 50 0 IHAARN COc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000013354812 569313452 /nfs/dbraw/zinc/31/34/52/569313452.db2.gz DWQMPBUWHCBBJV-MRXNPFEDSA-N 0 0 445.591 3.712 50 0 IHAARN Cc1nc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 ZINC000078660110 569316711 /nfs/dbraw/zinc/31/67/11/569316711.db2.gz YGUVFHCASMENEE-HNNXBMFYSA-N 0 0 443.594 3.883 50 0 IHAARN CC[C@H](C)N1CC(=O)N([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O ZINC000328595592 569317735 /nfs/dbraw/zinc/31/77/35/569317735.db2.gz YTNSGKQSTCEADN-HOCLYGCPSA-N 0 0 436.350 3.624 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078874710 569319551 /nfs/dbraw/zinc/31/95/51/569319551.db2.gz LYOVPLPVRIMWLW-IAGOWNOFSA-N 0 0 442.503 3.531 50 0 IHAARN COc1ccc2cc(C(=O)NCc3nc4cc(Br)cnc4[nH]3)c(C)nc2c1 ZINC000078879053 569319949 /nfs/dbraw/zinc/31/99/49/569319949.db2.gz CLUULDVEDDHAHV-UHFFFAOYSA-N 0 0 426.274 3.516 50 0 IHAARN c1cnn([C@@H]2CCCC[C@H]2Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000078967139 569320589 /nfs/dbraw/zinc/32/05/89/569320589.db2.gz ZKOFPAGHVHFMNR-QZTJIDSGSA-N 0 0 438.601 3.805 50 0 IHAARN Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000078972250 569321180 /nfs/dbraw/zinc/32/11/80/569321180.db2.gz DLVMYXCWUFDJNZ-NRFANRHFSA-N 0 0 448.548 3.954 50 0 IHAARN COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000078996206 569321766 /nfs/dbraw/zinc/32/17/66/569321766.db2.gz DGQJDKXCEFALPA-SJKOYZFVSA-N 0 0 434.286 3.501 50 0 IHAARN Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000079021185 569322376 /nfs/dbraw/zinc/32/23/76/569322376.db2.gz UTTZZMSIMQBJJL-RHSMWYFYSA-N 0 0 445.520 3.927 50 0 IHAARN Cc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000019602687 569322960 /nfs/dbraw/zinc/32/29/60/569322960.db2.gz ZOGVIXVFFWEUCT-UHFFFAOYSA-N 0 0 429.948 3.509 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000019621846 569323532 /nfs/dbraw/zinc/32/35/32/569323532.db2.gz FLEYMJDASCCXGU-UHFFFAOYSA-N 0 0 436.477 3.815 50 0 IHAARN CSc1cnn(-c2ccccc2)c1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000079096382 569325344 /nfs/dbraw/zinc/32/53/44/569325344.db2.gz FVYZKXULLVBGEF-UHFFFAOYSA-N 0 0 447.568 3.985 50 0 IHAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cccc3c2n(c1=O)CCC3 ZINC000079192999 569328076 /nfs/dbraw/zinc/32/80/76/569328076.db2.gz SNIIEFSKLMHYCI-AUSIDOKSSA-N 0 0 443.455 3.510 50 0 biogenic IHAARN CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)cc21 ZINC000019796494 569329538 /nfs/dbraw/zinc/32/95/38/569329538.db2.gz AUIIYUJQTGTUKO-UHFFFAOYSA-N 0 0 439.493 3.825 50 0 IHAARN COc1ccc(-c2nnc3n2[C@H](C(=O)Nc2ccccc2OC(F)F)CC(=O)N3)cc1 ZINC000079491884 569331259 /nfs/dbraw/zinc/33/12/59/569331259.db2.gz FMKVUTFZQBRWQJ-AWEZNQCLSA-N 0 0 429.383 3.727 50 0 IHAARN Cc1ccc(C)c(NC(=O)C[C@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2cc(C)ccc2C)c1 ZINC000019881173 569331663 /nfs/dbraw/zinc/33/16/63/569331663.db2.gz PGGAEOKPYOLUMY-BGYRXZFFSA-N 0 0 442.581 3.938 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(C(C)=O)cc1)C(F)(F)F ZINC000020032608 569332522 /nfs/dbraw/zinc/33/25/22/569332522.db2.gz PFDJULLDFODCAA-HXUWFJFHSA-N 0 0 438.402 3.561 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1N ZINC000020051103 569332853 /nfs/dbraw/zinc/33/28/53/569332853.db2.gz FLPPPXUIAWFXND-OAHLLOKOSA-N 0 0 437.569 3.516 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN(CCCN3CCOCC3)Cc3ccco3)c2c1 ZINC000020058779 569333042 /nfs/dbraw/zinc/33/30/42/569333042.db2.gz XBKCTVLIBUTFRO-UHFFFAOYSA-N 0 0 426.513 3.509 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000020069396 569333215 /nfs/dbraw/zinc/33/32/15/569333215.db2.gz ZYABVDCPOKVHEF-HDICACEKSA-N 0 0 436.581 3.960 50 0 IHAARN COc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000020104689 569334133 /nfs/dbraw/zinc/33/41/33/569334133.db2.gz QTDSERSHHBOCEZ-UHFFFAOYSA-N 0 0 448.523 3.746 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000020116488 569335126 /nfs/dbraw/zinc/33/51/26/569335126.db2.gz RETMUFSMDCRRHY-UHFFFAOYSA-N 0 0 438.480 3.714 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020116401 569335141 /nfs/dbraw/zinc/33/51/41/569335141.db2.gz IZXDMGRGNJFLKO-GOSISDBHSA-N 0 0 430.551 3.675 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117302 569335265 /nfs/dbraw/zinc/33/52/65/569335265.db2.gz VVDIYGTZBMMWTD-YADHBBJMSA-N 0 0 440.565 3.959 50 0 IHAARN COc1ccc(C=O)cc1Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCC3 ZINC000020152578 569353423 /nfs/dbraw/zinc/35/34/23/569353423.db2.gz INALYAJJHUPJCV-UHFFFAOYSA-N 0 0 446.528 3.631 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390830021 569354180 /nfs/dbraw/zinc/35/41/80/569354180.db2.gz IEZWJXDQVVSUHW-SFHVURJKSA-N 0 0 429.435 3.775 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831034 569354255 /nfs/dbraw/zinc/35/42/55/569354255.db2.gz PEYYJPMONRMXQI-KRWDZBQOSA-N 0 0 431.407 3.726 50 0 IHAARN COc1ccccc1NC(=O)CCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000094992909 569355747 /nfs/dbraw/zinc/35/57/47/569355747.db2.gz PQFUFDJYUZAWQH-UHFFFAOYSA-N 0 0 426.904 3.926 50 0 IHAARN CCc1cccc(NC(=O)CN2CCN(Cc3cc(=O)oc4ccc(CC)cc34)CC2)c1 ZINC000020213307 569356345 /nfs/dbraw/zinc/35/63/45/569356345.db2.gz PPYUHTOKNUTDRQ-UHFFFAOYSA-N 0 0 433.552 3.674 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(F)c1)c1ccc(C)cc1 ZINC000020239826 569357691 /nfs/dbraw/zinc/35/76/91/569357691.db2.gz MRWRUBSWMAQVOR-UHFFFAOYSA-N 0 0 444.532 3.627 50 0 IHAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@H](c2ccco2)C1 ZINC000095116585 569358289 /nfs/dbraw/zinc/35/82/89/569358289.db2.gz WCPLGZGWALSTIE-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1 ZINC000020323866 569360422 /nfs/dbraw/zinc/36/04/22/569360422.db2.gz GDXIYQGBRAFWSJ-HXUWFJFHSA-N 0 0 425.485 3.668 50 0 IHAARN COC(=O)c1cccn1C1CCN(C(=O)c2cnn3c2nccc3-c2cccs2)CC1 ZINC000095347287 569361534 /nfs/dbraw/zinc/36/15/34/569361534.db2.gz ZLIJEBNEKBCJGE-UHFFFAOYSA-N 0 0 435.509 3.523 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000095398235 569363646 /nfs/dbraw/zinc/36/36/46/569363646.db2.gz ZBVDFDBQCXLTSM-FXAWDEMLSA-N 0 0 439.508 3.649 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417068 569364802 /nfs/dbraw/zinc/36/48/02/569364802.db2.gz IIVHSGSRHXYWFH-UHFFFAOYSA-N 0 0 434.927 3.833 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417481 569364947 /nfs/dbraw/zinc/36/49/47/569364947.db2.gz WHUWXHLSXCZQOZ-MRXNPFEDSA-N 0 0 432.499 3.880 50 0 IHAARN CC(C)(C)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O ZINC000095430253 569366203 /nfs/dbraw/zinc/36/62/03/569366203.db2.gz WHHRZJIFZDRWAK-HSZRJFAPSA-N 0 0 425.916 3.970 50 0 IHAARN CC(C)(CNC(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1)N1CCOCC1 ZINC000095435196 569366483 /nfs/dbraw/zinc/36/64/83/569366483.db2.gz CRCOSWGOEICPPH-QHCPKHFHSA-N 0 0 440.584 3.552 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000095454149 569368245 /nfs/dbraw/zinc/36/82/45/569368245.db2.gz LOXKOBIOQGWFER-NZQKXSOJSA-N 0 0 428.916 3.790 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(OC)c(F)c2)CC1 ZINC000095456138 569368690 /nfs/dbraw/zinc/36/86/90/569368690.db2.gz ZOVRETNZCJFCPJ-LJQANCHMSA-N 0 0 435.883 3.552 50 0 IHAARN Cc1ccc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1-n1cnnn1 ZINC000095460853 569369741 /nfs/dbraw/zinc/36/97/41/569369741.db2.gz WCPQISFUDZHTEB-UHFFFAOYSA-N 0 0 436.303 3.652 50 0 IHAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000095460835 569369790 /nfs/dbraw/zinc/36/97/90/569369790.db2.gz BSUDJYLNLBIUDX-HNNXBMFYSA-N 0 0 430.940 3.515 50 0 IHAARN CC(C)Cn1ncc2cc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 ZINC000095958252 569376985 /nfs/dbraw/zinc/37/69/85/569376985.db2.gz BCRYTILPTLAKFG-IRXDYDNUSA-N 0 0 429.565 3.853 50 0 IHAARN C[C@@H](OC(=O)c1cc(Br)cnc1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095976342 569377685 /nfs/dbraw/zinc/37/76/85/569377685.db2.gz QPJQKPJMIROYBO-SNVBAGLBSA-N 0 0 447.314 3.734 50 0 IHAARN COCC1(C)CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000095983785 569378021 /nfs/dbraw/zinc/37/80/21/569378021.db2.gz HDHDLYUDHBXMQV-UHFFFAOYSA-N 0 0 426.344 3.882 50 0 IHAARN CC(C)N1C(=O)C[C@H](C(=O)NCCc2cn3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095988722 569378113 /nfs/dbraw/zinc/37/81/13/569378113.db2.gz QYIBFUIZMLJZFA-JTSKRJEESA-N 0 0 442.922 3.784 50 0 IHAARN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCCS(=O)(=O)N2CCCC2)C(C)(C)O1 ZINC000095991722 569378337 /nfs/dbraw/zinc/37/83/37/569378337.db2.gz AAPAAADYLFKHCI-HXUWFJFHSA-N 0 0 436.618 3.567 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024868 569380675 /nfs/dbraw/zinc/38/06/75/569380675.db2.gz YPKFDWIBPTYYKF-UHFFFAOYSA-N 0 0 436.839 3.866 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096097173 569381411 /nfs/dbraw/zinc/38/14/11/569381411.db2.gz UZAHRMUBYOCMTE-UHFFFAOYSA-N 0 0 446.732 3.906 50 0 IHAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096097015 569381471 /nfs/dbraw/zinc/38/14/71/569381471.db2.gz CKBYDGKTZUCANR-UHFFFAOYSA-N 0 0 449.729 3.869 50 0 IHAARN O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105502 569382412 /nfs/dbraw/zinc/38/24/12/569382412.db2.gz CYIMKMNYMNPTKF-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105496 569382468 /nfs/dbraw/zinc/38/24/68/569382468.db2.gz XIBOTCUEBQPIBK-UHFFFAOYSA-N 0 0 446.334 3.649 50 0 IHAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCCCCC1 ZINC000096114443 569382917 /nfs/dbraw/zinc/38/29/17/569382917.db2.gz CLHNYYBCTIHMCU-UHFFFAOYSA-N 0 0 426.520 3.977 50 0 biogenic IHAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116695 569383824 /nfs/dbraw/zinc/38/38/24/569383824.db2.gz HQCVEUCMFQVRRG-IFXJQAMLSA-N 0 0 445.541 3.972 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000096116705 569383864 /nfs/dbraw/zinc/38/38/64/569383864.db2.gz IXCIPJWUUATRFN-UGSOOPFHSA-N 0 0 433.530 3.511 50 0 IHAARN O=C(c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1)c1ccccc1 ZINC000096119928 569384818 /nfs/dbraw/zinc/38/48/18/569384818.db2.gz UUANOQGNRUSSKZ-UHFFFAOYSA-N 0 0 429.519 3.619 50 0 IHAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cncc(Br)c1 ZINC000096120397 569384898 /nfs/dbraw/zinc/38/48/98/569384898.db2.gz MGUCQCOUDURSHP-UHFFFAOYSA-N 0 0 442.313 3.873 50 0 IHAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000096211164 569386587 /nfs/dbraw/zinc/38/65/87/569386587.db2.gz BKIZTPLOCFEBSK-UHFFFAOYSA-N 0 0 427.618 3.565 50 0 IHAARN COc1ccc(C(=O)NCCNc2nc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000096210995 569386653 /nfs/dbraw/zinc/38/66/53/569386653.db2.gz UAQDWQYSIFLEJT-UHFFFAOYSA-N 0 0 442.523 3.852 50 0 IHAARN CC[C@H](C)[C@@H]1NC2(CCN(C(=O)c3cccc(OC)c3)CC2)N(Cc2ccccc2)C1=O ZINC000096210971 569386658 /nfs/dbraw/zinc/38/66/58/569386658.db2.gz HTYPKZOMUBNIJJ-CVDCTZTESA-N 0 0 435.568 3.674 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000096220880 569386757 /nfs/dbraw/zinc/38/67/57/569386757.db2.gz BNCIXMJEZAKCBY-NRFANRHFSA-N 0 0 430.508 3.930 50 0 biogenic IHAARN CSCC[C@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)c1nnc2ccccn21 ZINC000096231974 569387745 /nfs/dbraw/zinc/38/77/45/569387745.db2.gz GOWWYTVHNHYJKL-IBGZPJMESA-N 0 0 435.553 3.849 50 0 IHAARN O=C(c1ccco1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)CCc1ccccc1 ZINC000096276024 569388401 /nfs/dbraw/zinc/38/84/01/569388401.db2.gz XAABEAZILNMRNN-UHFFFAOYSA-N 0 0 431.448 3.986 50 0 IHAARN COC(=O)c1coc(COc2ccc(-c3noc(-c4cccc(F)c4)n3)cc2OC)n1 ZINC000096281016 569389868 /nfs/dbraw/zinc/38/98/68/569389868.db2.gz IVLVNRYWNMZDMO-UHFFFAOYSA-N 0 0 425.372 3.905 50 0 IHAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)[C@@H](C)CC ZINC000096290339 569390894 /nfs/dbraw/zinc/39/08/94/569390894.db2.gz QMQJDMVELBRFDB-HNNXBMFYSA-N 0 0 438.521 3.932 50 0 IHAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2cccc(C)c2)CC1 ZINC000096291059 569391100 /nfs/dbraw/zinc/39/11/00/569391100.db2.gz HFBSJMXBYNVAKJ-UHFFFAOYSA-N 0 0 435.597 3.954 50 0 IHAARN CC[C@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COCc1ccccc1 ZINC000096293595 569391682 /nfs/dbraw/zinc/39/16/82/569391682.db2.gz QXUSUXVWRKZYEJ-KRWDZBQOSA-N 0 0 437.496 3.852 50 0 IHAARN CCc1nc(C(C)C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1cccc(C)c1 ZINC000096316837 569392874 /nfs/dbraw/zinc/39/28/74/569392874.db2.gz XRFCULXAHSOBBH-UHFFFAOYSA-N 0 0 430.618 3.533 50 0 IHAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1c(F)cccc1Cl ZINC000096317543 569393448 /nfs/dbraw/zinc/39/34/48/569393448.db2.gz YOVYZHVHQLXNMD-UHFFFAOYSA-N 0 0 448.970 3.841 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)cc1 ZINC000096322030 569394314 /nfs/dbraw/zinc/39/43/14/569394314.db2.gz TUHACADGFZSOTK-UHFFFAOYSA-N 0 0 427.526 3.757 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5Cl)c(=O)n4ccn3n2)cc1C ZINC000096322536 569394700 /nfs/dbraw/zinc/39/47/00/569394700.db2.gz SWFYFSPSHATTLN-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc3c(c2)OCO3)C4)cc1 ZINC000096323764 569395521 /nfs/dbraw/zinc/39/55/21/569395521.db2.gz OXOGSWSOBGXLMG-UHFFFAOYSA-N 0 0 449.492 3.785 50 0 IHAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1)N1CCCCC1 ZINC000096324455 569395870 /nfs/dbraw/zinc/39/58/70/569395870.db2.gz GOOIXBQZKAFFAX-UHFFFAOYSA-N 0 0 440.594 3.968 50 0 IHAARN CCS(=O)(=O)N1CCc2nc(NC(=O)Cc3ccc(SC(C)C)cc3)sc2C1 ZINC000096334764 569396550 /nfs/dbraw/zinc/39/65/50/569396550.db2.gz AQIJBKJOSVGCFZ-UHFFFAOYSA-N 0 0 439.628 3.533 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)cc1OC ZINC000096341473 569396730 /nfs/dbraw/zinc/39/67/30/569396730.db2.gz QVKHHSJEEYVKFL-UHFFFAOYSA-N 0 0 435.571 3.602 50 0 IHAARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)[C@H](C(=O)Nc1ccc(Cl)cc1)O2 ZINC000096336014 569396803 /nfs/dbraw/zinc/39/68/03/569396803.db2.gz METNQRVYFVYZHC-UYAOXDASSA-N 0 0 425.824 3.862 50 0 IHAARN Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)s2)n[nH]1 ZINC000096341447 569396816 /nfs/dbraw/zinc/39/68/16/569396816.db2.gz FXIWBGLUYYZTQF-UHFFFAOYSA-N 0 0 436.990 3.919 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc(CCNC(=O)C4CC4)cs3)C2)c(C)c1 ZINC000096373208 569398031 /nfs/dbraw/zinc/39/80/31/569398031.db2.gz IXIZUURMIXFSOW-QGZVFWFLSA-N 0 0 427.570 3.549 50 0 IHAARN COc1ccccc1CNC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386376 569398542 /nfs/dbraw/zinc/39/85/42/569398542.db2.gz BXCQIKCFKNUCEV-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN COc1cccc(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000096386403 569398578 /nfs/dbraw/zinc/39/85/78/569398578.db2.gz KHMVZPXUNLGTPT-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000096398257 569399566 /nfs/dbraw/zinc/39/95/66/569399566.db2.gz MSPBTOGPDSLJOS-HNNXBMFYSA-N 0 0 431.989 3.557 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccccc3)CC1)C2 ZINC000096398492 569399708 /nfs/dbraw/zinc/39/97/08/569399708.db2.gz DBVIEOOAOZBTOL-GOSISDBHSA-N 0 0 425.598 3.684 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3cccc(C)c3)sc2c1 ZINC000096399516 569400117 /nfs/dbraw/zinc/40/01/17/569400117.db2.gz UEJJGRXRMWLRQV-UHFFFAOYSA-N 0 0 435.596 3.775 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097077558 569402938 /nfs/dbraw/zinc/40/29/38/569402938.db2.gz LHWSCVOGRUPSFI-LJQANCHMSA-N 0 0 434.521 3.816 50 0 IHAARN COc1ccc(CC[C@H](C)NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 ZINC000097160120 569403156 /nfs/dbraw/zinc/40/31/56/569403156.db2.gz UCNHHTAGECOVNY-AWEZNQCLSA-N 0 0 434.330 3.909 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000002487048 569405160 /nfs/dbraw/zinc/40/51/60/569405160.db2.gz LIBMKVBLPDGQHB-HXUWFJFHSA-N 0 0 432.542 3.943 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)c(C)c1 ZINC000002493456 569405570 /nfs/dbraw/zinc/40/55/70/569405570.db2.gz SKHVXYLQQXCIQQ-UHFFFAOYSA-N 0 0 440.502 3.902 50 0 IHAARN O=C(c1cccc(Oc2ccccn2)c1)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225628093 569405965 /nfs/dbraw/zinc/40/59/65/569405965.db2.gz BDDLNZLJDVDYLJ-UHFFFAOYSA-N 0 0 427.464 3.742 50 0 IHAARN Cc1noc(-c2cccn3c(CNC(=O)c4c(C)onc4-c4ccccc4Cl)nnc23)n1 ZINC000225747608 569408086 /nfs/dbraw/zinc/40/80/86/569408086.db2.gz HKGKKOBTAAVVLS-UHFFFAOYSA-N 0 0 449.858 3.635 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002616912 569410254 /nfs/dbraw/zinc/41/02/54/569410254.db2.gz RUDJHKKAHMYGBJ-INIZCTEOSA-N 0 0 446.809 3.888 50 0 IHAARN COc1ccc(-c2cc(C(=O)OCC(=O)NCC(F)(F)F)c3ccccc3n2)cc1OC ZINC000002616771 569410269 /nfs/dbraw/zinc/41/02/69/569410269.db2.gz UNPNPPHCLFBYCJ-UHFFFAOYSA-N 0 0 448.397 3.754 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)no1 ZINC000002620680 569411056 /nfs/dbraw/zinc/41/10/56/569411056.db2.gz IYWMWLRCCNDXQD-UHFFFAOYSA-N 0 0 435.465 3.690 50 0 IHAARN COc1cccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)n2C)c1 ZINC000002629622 569412143 /nfs/dbraw/zinc/41/21/43/569412143.db2.gz QXTCFILVSXVAOP-UHFFFAOYSA-N 0 0 434.529 3.602 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2ccccc2o1 ZINC000002635677 569412848 /nfs/dbraw/zinc/41/28/48/569412848.db2.gz NMGRRCPMIVJYQJ-UHFFFAOYSA-N 0 0 439.445 3.544 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NCC(F)(F)F ZINC000002640715 569413636 /nfs/dbraw/zinc/41/36/36/569413636.db2.gz JXRLWWOTFGMREH-UHFFFAOYSA-N 0 0 440.422 3.756 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3nncc4ccccc43)cc2)cc1 ZINC000002641012 569413648 /nfs/dbraw/zinc/41/36/48/569413648.db2.gz XPVHTOFAEBUXNI-UHFFFAOYSA-N 0 0 428.448 3.908 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc2ncsc2c1 ZINC000002644682 569414022 /nfs/dbraw/zinc/41/40/22/569414022.db2.gz AHWYARTWSFPKLB-UHFFFAOYSA-N 0 0 446.506 3.841 50 0 IHAARN CCc1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002645291 569414103 /nfs/dbraw/zinc/41/41/03/569414103.db2.gz JPRHCIXTRIAVSY-AREMUKBSSA-N 0 0 427.504 3.878 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)C(=Cc3ccco3)C(=O)Nc3ccccc3)CC2)cc1 ZINC000215734080 569414688 /nfs/dbraw/zinc/41/46/88/569414688.db2.gz ZFMJGAJCRMLUSI-HKOYGPOVSA-N 0 0 443.503 3.853 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000002661378 569416126 /nfs/dbraw/zinc/41/61/26/569416126.db2.gz PNKYCPMEPYHNHV-VVTMIQRTSA-N 0 0 430.913 3.960 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)c1 ZINC000002689829 569416836 /nfs/dbraw/zinc/41/68/36/569416836.db2.gz HTUHVHYHRRJSTJ-UHFFFAOYSA-N 0 0 442.471 3.888 50 0 IHAARN O=S(=O)(N[C@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002708605 569417611 /nfs/dbraw/zinc/41/76/11/569417611.db2.gz FAKGIBNWUMBTPK-ZWKOTPCHSA-N 0 0 449.989 3.698 50 0 IHAARN CCn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc(I)cc1C ZINC000002776171 569420986 /nfs/dbraw/zinc/42/09/86/569420986.db2.gz QNUPRGQXGURAHJ-UHFFFAOYSA-N 0 0 448.717 3.596 50 0 IHAARN CCSc1nnc(C(F)F)n1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002791029 569421765 /nfs/dbraw/zinc/42/17/65/569421765.db2.gz FNUDRUFPOLJYHD-ZCFIWIBFSA-N 0 0 432.806 3.836 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CC1N=NC(=S)N1c1cnn(Cc2ccc(C)cc2)c1 ZINC000002809587 569422925 /nfs/dbraw/zinc/42/29/25/569422925.db2.gz NHTILJHCYHPTKW-UHFFFAOYSA-N 0 0 433.463 3.681 50 0 IHAARN Cc1nnc2nc(SCC(=O)N3CCC(C)CC3)n(-c3cccc(Cl)c3C)c(N)c1-2 ZINC000002927211 569425776 /nfs/dbraw/zinc/42/57/76/569425776.db2.gz QBDBNXIUOYJOFC-UHFFFAOYSA-N 0 0 444.992 3.849 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000002942773 569426754 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COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc1 ZINC000002954465 569432374 /nfs/dbraw/zinc/43/23/74/569432374.db2.gz GQOSNHGYDCZRTF-COOPMVRXSA-N 0 0 443.459 3.900 50 0 IHAARN CCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1OCCC ZINC000029775131 569432800 /nfs/dbraw/zinc/43/28/00/569432800.db2.gz KJHOHUHWRNDQBH-UHFFFAOYSA-N 0 0 440.587 3.506 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414731 569433922 /nfs/dbraw/zinc/43/39/22/569433922.db2.gz BFZJRJMESKIQAQ-XMMPIXPASA-N 0 0 447.535 3.656 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000057425699 569434418 /nfs/dbraw/zinc/43/44/18/569434418.db2.gz ABMJPDPFLILDTB-UHFFFAOYSA-N 0 0 443.472 3.854 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057425878 569434472 /nfs/dbraw/zinc/43/44/72/569434472.db2.gz FXXUAEONBFKJHF-UHFFFAOYSA-N 0 0 443.472 3.854 50 0 IHAARN COC(=O)c1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O ZINC000057427562 569434799 /nfs/dbraw/zinc/43/47/99/569434799.db2.gz HPDRHNCKUXFHKE-UHFFFAOYSA-N 0 0 425.872 3.606 50 0 IHAARN COc1ccc2[nH]c(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2c1 ZINC000057434721 569435058 /nfs/dbraw/zinc/43/50/58/569435058.db2.gz YBZRSTXGFDDHNJ-BKUYFWCQSA-N 0 0 449.532 3.962 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC000003022604 569436068 /nfs/dbraw/zinc/43/60/68/569436068.db2.gz YMYOMMKDFJXREB-UHFFFAOYSA-N 0 0 428.485 3.955 50 0 IHAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000057486856 569436556 /nfs/dbraw/zinc/43/65/56/569436556.db2.gz JRDCVKUYUQGYNS-UHFFFAOYSA-N 0 0 441.535 3.858 50 0 IHAARN COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000057487138 569436623 /nfs/dbraw/zinc/43/66/23/569436623.db2.gz OLBFHLOHWBXGHT-UHFFFAOYSA-N 0 0 434.452 3.870 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCc4ccccc43)n2)cc1OC ZINC000057487151 569436660 /nfs/dbraw/zinc/43/66/60/569436660.db2.gz RNLMTEIKPVEOLG-UHFFFAOYSA-N 0 0 430.464 3.812 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000057487289 569436709 /nfs/dbraw/zinc/43/67/09/569436709.db2.gz ASFNLFQPQYOBSC-MRXNPFEDSA-N 0 0 442.903 3.660 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCc1ccc2c(c1)OCO2 ZINC000057487323 569436715 /nfs/dbraw/zinc/43/67/15/569436715.db2.gz ADNLKTGRXPGNAU-UHFFFAOYSA-N 0 0 436.855 3.904 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491704 569437368 /nfs/dbraw/zinc/43/73/68/569437368.db2.gz VFSDWZGXNRLUSF-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)ccc3C)c2=O)c1 ZINC000057492663 569437473 /nfs/dbraw/zinc/43/74/73/569437473.db2.gz VTJBXOWBFJWQRM-UHFFFAOYSA-N 0 0 447.516 3.672 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c1 ZINC000057494596 569437709 /nfs/dbraw/zinc/43/77/09/569437709.db2.gz XLKHSUPYXBXYFS-UHFFFAOYSA-N 0 0 437.496 3.633 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)c(Cl)c1 ZINC000057506932 569438238 /nfs/dbraw/zinc/43/82/38/569438238.db2.gz JWQGDPCLCTZEHU-UHFFFAOYSA-N 0 0 435.962 3.616 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccccc2)n1 ZINC000057527271 569439181 /nfs/dbraw/zinc/43/91/81/569439181.db2.gz HWBLITWLWSKUHM-UHFFFAOYSA-N 0 0 427.888 3.782 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)c(C)c(C)nc2-c2cccc(Cl)c2)c1 ZINC000057528002 569439205 /nfs/dbraw/zinc/43/92/05/569439205.db2.gz MGTAXWJAWBTDPH-UHFFFAOYSA-N 0 0 427.888 3.836 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000057585207 569439979 /nfs/dbraw/zinc/43/99/79/569439979.db2.gz WCYLMWNMDQRWCT-HSZRJFAPSA-N 0 0 429.520 3.681 50 0 IHAARN Cc1nc(CSCCC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cs1 ZINC000030186116 569440962 /nfs/dbraw/zinc/44/09/62/569440962.db2.gz LEQREIFIJMSKCI-UHFFFAOYSA-N 0 0 446.594 3.968 50 0 IHAARN COC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003168238 569441114 /nfs/dbraw/zinc/44/11/14/569441114.db2.gz QTCZUQVQKWJSAL-QMMMGPOBSA-N 0 0 435.558 3.788 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)n2)cc1 ZINC000030265137 569441315 /nfs/dbraw/zinc/44/13/15/569441315.db2.gz SEMLZKAPJINWQM-UHFFFAOYSA-N 0 0 428.439 3.604 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003216717 569441886 /nfs/dbraw/zinc/44/18/86/569441886.db2.gz KNJKIZGOORBDSP-UHFFFAOYSA-N 0 0 430.485 3.518 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000003218191 569441921 /nfs/dbraw/zinc/44/19/21/569441921.db2.gz OSZHIHQWSRSWEH-UHFFFAOYSA-N 0 0 432.542 3.636 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000003226028 569442123 /nfs/dbraw/zinc/44/21/23/569442123.db2.gz OPCDBQOPTYQRAK-HZPDHXFCSA-N 0 0 436.961 3.805 50 0 IHAARN O=C(COC(=O)c1cc(Br)ccc1O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003233134 569442369 /nfs/dbraw/zinc/44/23/69/569442369.db2.gz FDPLDHWTYJUBNF-UHFFFAOYSA-N 0 0 440.118 3.646 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000003239999 569442506 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CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sccc2C(N)=O)ccc1C ZINC000003352130 569447434 /nfs/dbraw/zinc/44/74/34/569447434.db2.gz INSUUBFZUNJJLN-UHFFFAOYSA-N 0 0 443.550 3.623 50 0 IHAARN Cc1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003361666 569447908 /nfs/dbraw/zinc/44/79/08/569447908.db2.gz FQTLKUDSBXILQZ-UHFFFAOYSA-N 0 0 434.279 3.587 50 0 IHAARN Cc1ccc2c(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc(=O)oc2c1 ZINC000003372921 569448562 /nfs/dbraw/zinc/44/85/62/569448562.db2.gz VJMUICNTKXBXCX-UHFFFAOYSA-N 0 0 443.411 3.848 50 0 IHAARN CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000003373721 569448600 /nfs/dbraw/zinc/44/86/00/569448600.db2.gz OBNCCZLHUIVGLR-UHFFFAOYSA-N 0 0 434.334 3.665 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O ZINC000003404469 569449863 /nfs/dbraw/zinc/44/98/63/569449863.db2.gz ISZLALJRMDNLJN-FKIZINRSSA-N 0 0 426.344 3.746 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000003416336 569450198 /nfs/dbraw/zinc/45/01/98/569450198.db2.gz PFVFIDVEYMVZGL-UHFFFAOYSA-N 0 0 439.472 3.546 50 0 IHAARN COc1ccccc1CNC(=O)COc1ccc(Br)cc1Br ZINC000003417529 569450240 /nfs/dbraw/zinc/45/02/40/569450240.db2.gz ULNFJCDRKRABQY-UHFFFAOYSA-N 0 0 429.108 3.915 50 0 IHAARN CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC000003433275 569450863 /nfs/dbraw/zinc/45/08/63/569450863.db2.gz XYKABTQJPMRYGC-UHFFFAOYSA-N 0 0 430.983 3.817 50 0 IHAARN COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCC4)o1 ZINC000003440960 569451224 /nfs/dbraw/zinc/45/12/24/569451224.db2.gz UINNVUDJAOXQLQ-GFCCVEGCSA-N 0 0 446.550 3.798 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000003444023 569451328 /nfs/dbraw/zinc/45/13/28/569451328.db2.gz UFTRTOKMCXYCQK-UHFFFAOYSA-N 0 0 431.539 3.519 50 0 IHAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003446832 569451431 /nfs/dbraw/zinc/45/14/31/569451431.db2.gz DPYYEHHIYPIEDT-QFIPXVFZSA-N 0 0 427.888 3.729 50 0 IHAARN COc1cc(CC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1OC ZINC000003448705 569451528 /nfs/dbraw/zinc/45/15/28/569451528.db2.gz VYNOQGBMZAGAOY-UHFFFAOYSA-N 0 0 443.418 3.662 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2cc(C)ccc2C)n1 ZINC000003450033 569451590 /nfs/dbraw/zinc/45/15/90/569451590.db2.gz JXLJZJIMLUWVBK-UHFFFAOYSA-N 0 0 433.545 3.645 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc(Cl)ccc1N ZINC000003451211 569451641 /nfs/dbraw/zinc/45/16/41/569451641.db2.gz AYBDRBFYXVZFTD-UHFFFAOYSA-N 0 0 446.809 3.762 50 0 IHAARN Cc1noc2ncc(C(=O)N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc12 ZINC000030978699 569451911 /nfs/dbraw/zinc/45/19/11/569451911.db2.gz UOJRPGXLZHDEBN-UHFFFAOYSA-N 0 0 439.825 3.951 50 0 IHAARN C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N(C)c1ccccc1 ZINC000003482392 569452315 /nfs/dbraw/zinc/45/23/15/569452315.db2.gz AFIZJWPJJYPHGX-MRXNPFEDSA-N 0 0 428.444 3.696 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1C ZINC000031033669 569452728 /nfs/dbraw/zinc/45/27/28/569452728.db2.gz OXJSSUWNNKOCKR-UHFFFAOYSA-N 0 0 449.576 3.876 50 0 IHAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000031036794 569452734 /nfs/dbraw/zinc/45/27/34/569452734.db2.gz DUKUAOMJJXVUFF-UHFFFAOYSA-N 0 0 437.569 3.720 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 ZINC000003509604 569452938 /nfs/dbraw/zinc/45/29/38/569452938.db2.gz CDQAXRAGCCQPJX-UHFFFAOYSA-N 0 0 435.407 3.623 50 0 IHAARN CC1CCN([C@@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000031075524 569453171 /nfs/dbraw/zinc/45/31/71/569453171.db2.gz YIVCKJQDSNVKOZ-FQEVSTJZSA-N 0 0 447.626 3.626 50 0 IHAARN CC1CCN([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000031075527 569453176 /nfs/dbraw/zinc/45/31/76/569453176.db2.gz YIVCKJQDSNVKOZ-HXUWFJFHSA-N 0 0 447.626 3.626 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003542963 569453687 /nfs/dbraw/zinc/45/36/87/569453687.db2.gz IVQWTASYOAQLAY-UHFFFAOYSA-N 0 0 447.520 3.833 50 0 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/nfs/dbraw/zinc/45/55/66/569455566.db2.gz AUCLLOICHHSKGG-UHFFFAOYSA-N 0 0 432.432 3.764 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC000031342505 569456057 /nfs/dbraw/zinc/45/60/57/569456057.db2.gz JHXSSFOXJPVCDD-UHFFFAOYSA-N 0 0 428.554 3.586 50 0 IHAARN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 ZINC000031397522 569456249 /nfs/dbraw/zinc/45/62/49/569456249.db2.gz NTGTUOYBVFKVFF-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN CN(C(=O)Cn1c2ccccc2nc1S(C)(=O)=O)C(c1ccccc1)c1ccccc1 ZINC000058644462 569456655 /nfs/dbraw/zinc/45/66/55/569456655.db2.gz QISDFYTWJRLUJP-UHFFFAOYSA-N 0 0 433.533 3.688 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccccc1F)C2 ZINC000031820836 569458038 /nfs/dbraw/zinc/45/80/38/569458038.db2.gz KAIIISLELPBLIC-UHFFFAOYSA-N 0 0 444.466 3.925 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@@H]1c1cccnc1 ZINC000031939573 569458424 /nfs/dbraw/zinc/45/84/24/569458424.db2.gz SCVMUTSUPBXZEJ-OAQYLSRUSA-N 0 0 425.485 3.999 50 0 IHAARN CC(C)Cc1csc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 ZINC000032093610 569459692 /nfs/dbraw/zinc/45/96/92/569459692.db2.gz PANJHXPGSCKUAX-UHFFFAOYSA-N 0 0 449.580 3.517 50 0 IHAARN COC(=O)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000032104981 569460192 /nfs/dbraw/zinc/46/01/92/569460192.db2.gz GCWYZSBCJYROOV-QHCPKHFHSA-N 0 0 434.536 3.808 50 0 IHAARN Nc1ccc2nc(SCC(=O)N3CCN(c4nc5ccccc5s4)CC3)sc2c1 ZINC000059445411 569461434 /nfs/dbraw/zinc/46/14/34/569461434.db2.gz GYINBKYASGQJNE-UHFFFAOYSA-N 0 0 441.607 3.929 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008186095 569462431 /nfs/dbraw/zinc/46/24/31/569462431.db2.gz FWDQATLUPVKPCY-SZVBFZGTSA-N 0 0 427.574 3.635 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000038368164 569462600 /nfs/dbraw/zinc/46/26/00/569462600.db2.gz PESJYVXSDGIOSV-UHFFFAOYSA-N 0 0 425.558 3.671 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000008345736 569462630 /nfs/dbraw/zinc/46/26/30/569462630.db2.gz JIHYOVXCLNMGEG-UHFFFAOYSA-N 0 0 426.582 3.966 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c(OC)c1 ZINC000038487502 569462906 /nfs/dbraw/zinc/46/29/06/569462906.db2.gz QVXBSJXCZVHKGG-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN CC(=O)[C@H]1C(=O)N(c2ccccn2)C(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1 ZINC000008430803 569464210 /nfs/dbraw/zinc/46/42/10/569464210.db2.gz QOVDNPGCDURQNX-PKTZIBPZSA-N 0 0 426.476 3.725 50 0 IHAARN CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1c2cc(C)cc1C)c1ccccc1 ZINC000008435613 569464347 /nfs/dbraw/zinc/46/43/47/569464347.db2.gz UYWXJTYWALGGRV-UHFFFAOYSA-N 0 0 449.536 3.811 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000067197658 569464461 /nfs/dbraw/zinc/46/44/61/569464461.db2.gz RHCLDNGEYPAROY-UHFFFAOYSA-N 0 0 425.403 3.976 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCc4ccccc4C3)n2)cc1OC ZINC000067208056 569464694 /nfs/dbraw/zinc/46/46/94/569464694.db2.gz CEBOXANUGJHHHN-UHFFFAOYSA-N 0 0 444.491 3.807 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)N1CCCc2ccccc21 ZINC000067208347 569464703 /nfs/dbraw/zinc/46/47/03/569464703.db2.gz WLETXRBOHIUWIH-UHFFFAOYSA-N 0 0 435.487 3.691 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 ZINC000067225671 569465184 /nfs/dbraw/zinc/46/51/84/569465184.db2.gz PDCDMUNROLBJTR-UHFFFAOYSA-N 0 0 449.536 3.527 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O ZINC000067226434 569465296 /nfs/dbraw/zinc/46/52/96/569465296.db2.gz JOZPJKNMRMYRIL-KRWDZBQOSA-N 0 0 447.461 3.676 50 0 IHAARN Cc1cc2nc(SCC(=O)N3CCCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236216 569465395 /nfs/dbraw/zinc/46/53/95/569465395.db2.gz KNNDBWOVXCUSOW-UHFFFAOYSA-N 0 0 434.521 3.746 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000067239172 569465616 /nfs/dbraw/zinc/46/56/16/569465616.db2.gz AUIVEMIFDFMOLF-ZDUSSCGKSA-N 0 0 427.530 3.693 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4 ZINC000038652010 569465765 /nfs/dbraw/zinc/46/57/65/569465765.db2.gz PWVJAGYZXDPHHR-UHFFFAOYSA-N 0 0 441.944 3.975 50 0 IHAARN COC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)c1 ZINC000067298980 569468084 /nfs/dbraw/zinc/46/80/84/569468084.db2.gz CQTZALZZUGGHMZ-RWEWTDSWSA-N 0 0 432.432 3.983 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000067299600 569468131 /nfs/dbraw/zinc/46/81/31/569468131.db2.gz IZDZPOOUBVNHTC-HUUCEWRRSA-N 0 0 428.558 3.982 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000067299594 569468151 /nfs/dbraw/zinc/46/81/51/569468151.db2.gz IZDZPOOUBVNHTC-CABCVRRESA-N 0 0 428.558 3.982 50 0 IHAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO ZINC000067316877 569468436 /nfs/dbraw/zinc/46/84/36/569468436.db2.gz KYJZDDLCWXRNMJ-UHFFFAOYSA-N 0 0 449.404 3.550 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1 ZINC000067322596 569468662 /nfs/dbraw/zinc/46/86/62/569468662.db2.gz ASAOQUMMDNUILJ-UHFFFAOYSA-N 0 0 448.708 3.893 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000067323342 569468785 /nfs/dbraw/zinc/46/87/85/569468785.db2.gz LCHZULKJEKUNQJ-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000008630534 569469478 /nfs/dbraw/zinc/46/94/78/569469478.db2.gz YDKNHOCNQMMWNY-LLVKDONJSA-N 0 0 441.896 3.825 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1 ZINC000008680421 569470056 /nfs/dbraw/zinc/47/00/56/569470056.db2.gz LIABLJRXZKMCGC-UHFFFAOYSA-N 0 0 448.552 3.838 50 0 IHAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008718742 569471311 /nfs/dbraw/zinc/47/13/11/569471311.db2.gz ORZYUYYOZRCEKA-AWEZNQCLSA-N 0 0 426.523 3.928 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O ZINC000008718623 569471321 /nfs/dbraw/zinc/47/13/21/569471321.db2.gz OMQODYDBSIEJBE-DEOSSOPVSA-N 0 0 433.533 3.515 50 0 IHAARN O=C(CCCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccccc1 ZINC000008720569 569471660 /nfs/dbraw/zinc/47/16/60/569471660.db2.gz BJQPBAJTPLKPLO-UHFFFAOYSA-N 0 0 426.517 3.998 50 0 IHAARN Cc1ccc(-c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)n[nH]2)cc1 ZINC000008723855 569471869 /nfs/dbraw/zinc/47/18/69/569471869.db2.gz VQGIRAWXLXEQCK-UHFFFAOYSA-N 0 0 429.933 3.623 50 0 IHAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(Br)c3)C2=O)cc1 ZINC000008734049 569472553 /nfs/dbraw/zinc/47/25/53/569472553.db2.gz OEVROOLROMQCEQ-NRFANRHFSA-N 0 0 445.313 3.584 50 0 IHAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000008749614 569473269 /nfs/dbraw/zinc/47/32/69/569473269.db2.gz QVYQMGDBHGVFFL-UHFFFAOYSA-N 0 0 432.499 3.681 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc2n1 ZINC000008752663 569473607 /nfs/dbraw/zinc/47/36/07/569473607.db2.gz XYQNAAFHVWRERT-IAGOWNOFSA-N 0 0 439.537 3.593 50 0 IHAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1ccc(F)cc1 ZINC000008770661 569475158 /nfs/dbraw/zinc/47/51/58/569475158.db2.gz CRLSJWYKJQMSRG-NMWGTECJSA-N 0 0 430.892 3.703 50 0 IHAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4cccnc4)ccc23)cc1 ZINC000008790165 569476073 /nfs/dbraw/zinc/47/60/73/569476073.db2.gz VYXNNHGOWFJZAE-UHFFFAOYSA-N 0 0 430.460 3.867 50 0 biogenic IHAARN CC(C)Sc1nc2c(cnn2CCNC(=O)c2c(F)cccc2F)c(N2CCCC2)n1 ZINC000008797598 569476403 /nfs/dbraw/zinc/47/64/03/569476403.db2.gz DQDHLWKGVRCBLI-UHFFFAOYSA-N 0 0 446.527 3.635 50 0 IHAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000008824858 569477240 /nfs/dbraw/zinc/47/72/40/569477240.db2.gz URCREVXRIPGVJR-UHFFFAOYSA-N 0 0 444.463 3.795 50 0 IHAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008825286 569477317 /nfs/dbraw/zinc/47/73/17/569477317.db2.gz GGLIIAMSIGNDFG-HNNXBMFYSA-N 0 0 439.821 3.851 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000008825150 569477352 /nfs/dbraw/zinc/47/73/52/569477352.db2.gz MLPKJPCPQWXHBT-UHFFFAOYSA-N 0 0 443.540 3.543 50 0 IHAARN O=C(Nc1ccnn1Cc1ccncc1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000008826484 569477543 /nfs/dbraw/zinc/47/75/43/569477543.db2.gz AIGOAQXJXOTVAR-UHFFFAOYSA-N 0 0 445.504 3.896 50 0 IHAARN CCCCN1c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc2CCC1=O ZINC000008840776 569478374 /nfs/dbraw/zinc/47/83/74/569478374.db2.gz QCLHCXRPTDNAAG-UHFFFAOYSA-N 0 0 429.542 3.834 50 0 IHAARN CCN1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008844596 569478657 /nfs/dbraw/zinc/47/86/57/569478657.db2.gz YCOWNFZPHBYSGZ-UHFFFAOYSA-N 0 0 429.517 3.764 50 0 IHAARN Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)N(CCO)C3=O)c(O)c1 ZINC000008845132 569478731 /nfs/dbraw/zinc/47/87/31/569478731.db2.gz MEOXIEMCXLZSMT-FQEVSTJZSA-N 0 0 442.313 3.699 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008845294 569478743 /nfs/dbraw/zinc/47/87/43/569478743.db2.gz GVKIJTJURAOQAB-JOCHJYFZSA-N 0 0 435.480 3.541 50 0 IHAARN COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000008845714 569478894 /nfs/dbraw/zinc/47/88/94/569478894.db2.gz MDMGNCYTMFNHDL-XMMPIXPASA-N 0 0 442.475 3.945 50 0 IHAARN O=C(CSc1nc(CC(=O)NCc2ccccn2)cs1)Nc1ccc(Cl)cc1 ZINC000008852386 569479474 /nfs/dbraw/zinc/47/94/74/569479474.db2.gz IQNOMABWOXCQEQ-UHFFFAOYSA-N 0 0 432.958 3.781 50 0 IHAARN O=C1C[C@H](N2CCCCCC2)C(=O)N1c1ccc(Br)cc1Br ZINC000008854658 569479610 /nfs/dbraw/zinc/47/96/10/569479610.db2.gz ZHPGGIULGQUZHD-AWEZNQCLSA-N 0 0 430.140 3.720 50 0 IHAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008861727 569480055 /nfs/dbraw/zinc/48/00/55/569480055.db2.gz BICQLRQIBCPQQH-CQSZACIVSA-N 0 0 439.468 3.712 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008869254 569480429 /nfs/dbraw/zinc/48/04/29/569480429.db2.gz NWADRIYZTZCAHC-ZDUSSCGKSA-N 0 0 432.325 3.815 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)oc(C)c1C(C)=O ZINC000008878697 569481310 /nfs/dbraw/zinc/48/13/10/569481310.db2.gz LIWBGDZBMONFOF-UHFFFAOYSA-N 0 0 431.485 3.521 50 0 IHAARN O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccccc1Cl ZINC000039383797 569481542 /nfs/dbraw/zinc/48/15/42/569481542.db2.gz VVZNICKODYOGRX-UHFFFAOYSA-N 0 0 431.927 3.820 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@H]2c2cccs2)cc1 ZINC000039964457 569482145 /nfs/dbraw/zinc/48/21/45/569482145.db2.gz GVRXCQLQDWOHFS-GCJKJVERSA-N 0 0 438.505 3.603 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)CC2)no1 ZINC000039981911 569482249 /nfs/dbraw/zinc/48/22/49/569482249.db2.gz ZVKYEORNIWNRRX-UHFFFAOYSA-N 0 0 435.553 3.709 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCc3ccco3)c2)cc1 ZINC000040017839 569482624 /nfs/dbraw/zinc/48/26/24/569482624.db2.gz PSPOWCGGICXQGU-UHFFFAOYSA-N 0 0 428.510 3.726 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NC1CCCCCC1 ZINC000040024551 569482779 /nfs/dbraw/zinc/48/27/79/569482779.db2.gz GBJDOOITFBHIGJ-QGZVFWFLSA-N 0 0 428.602 3.782 50 0 IHAARN COCCn1c(SCc2nc3ccccc3c(=O)n2C2CC2)nnc1-c1ccccc1 ZINC000008882920 569482962 /nfs/dbraw/zinc/48/29/62/569482962.db2.gz QUSCQSIWUMAGBV-UHFFFAOYSA-N 0 0 433.537 3.929 50 0 IHAARN C[C@H](c1ccccc1)n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O ZINC000008884375 569483164 /nfs/dbraw/zinc/48/31/64/569483164.db2.gz AHYSBJUGBDYWRL-MRXNPFEDSA-N 0 0 441.516 3.861 50 0 IHAARN Cc1ccc(C(=O)COC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1C ZINC000040040109 569483386 /nfs/dbraw/zinc/48/33/86/569483386.db2.gz KNSLYYUYTSCELI-UHFFFAOYSA-N 0 0 443.297 3.592 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 ZINC000040040705 569483505 /nfs/dbraw/zinc/48/35/05/569483505.db2.gz MUDDKZRKROQPBY-LLVKDONJSA-N 0 0 445.566 3.751 50 0 IHAARN O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000040040740 569483510 /nfs/dbraw/zinc/48/35/10/569483510.db2.gz FJKVSTIPXMTTGD-OAQYLSRUSA-N 0 0 439.519 3.589 50 0 IHAARN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000040040757 569483518 /nfs/dbraw/zinc/48/35/18/569483518.db2.gz GCGXSTDWBLEAPS-UHFFFAOYSA-N 0 0 428.488 3.713 50 0 IHAARN C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000008895720 569483782 /nfs/dbraw/zinc/48/37/82/569483782.db2.gz HUKPLFNYHBQETJ-AWEZNQCLSA-N 0 0 433.493 3.514 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000008896995 569483934 /nfs/dbraw/zinc/48/39/34/569483934.db2.gz AQGCJKUXWYNFQK-QFIPXVFZSA-N 0 0 441.940 3.980 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O ZINC000008900605 569484120 /nfs/dbraw/zinc/48/41/20/569484120.db2.gz GUDYFEDZDGZERR-KOSHJBKYSA-N 0 0 439.581 3.820 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008899974 569484122 /nfs/dbraw/zinc/48/41/22/569484122.db2.gz VPLGARTWLTUHHW-UHFFFAOYSA-N 0 0 439.497 3.530 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1 ZINC000008912690 569485112 /nfs/dbraw/zinc/48/51/12/569485112.db2.gz GEKMTMGGHXDHCG-LJQANCHMSA-N 0 0 439.585 3.877 50 0 IHAARN COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OCc1cscn1 ZINC000040069425 569485324 /nfs/dbraw/zinc/48/53/24/569485324.db2.gz YIXSSUHZRORKNA-UHFFFAOYSA-N 0 0 448.508 3.971 50 0 IHAARN CN(C(=O)CNc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)C1CCCCC1 ZINC000040071595 569485826 /nfs/dbraw/zinc/48/58/26/569485826.db2.gz PXRXMHISKBEWHA-UHFFFAOYSA-N 0 0 447.626 3.698 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008917664 569486022 /nfs/dbraw/zinc/48/60/22/569486022.db2.gz LVVBKMZJKPYXBO-MRXNPFEDSA-N 0 0 446.327 3.727 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918827 569486336 /nfs/dbraw/zinc/48/63/36/569486336.db2.gz BHCGNFYIQFYRKY-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1cccc(F)c1 ZINC000008931847 569487615 /nfs/dbraw/zinc/48/76/15/569487615.db2.gz LFBNNPVIYPMCPS-NRFANRHFSA-N 0 0 438.480 3.716 50 0 IHAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000008933739 569487880 /nfs/dbraw/zinc/48/78/80/569487880.db2.gz MAFPGFWYYXEUQZ-OAQYLSRUSA-N 0 0 445.567 3.918 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000008936598 569488090 /nfs/dbraw/zinc/48/80/90/569488090.db2.gz WEDJOPMDYTVNGI-UHFFFAOYSA-N 0 0 435.958 3.895 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000040104030 569488127 /nfs/dbraw/zinc/48/81/27/569488127.db2.gz CZBAOXWCBDXXHH-UHFFFAOYSA-N 0 0 426.542 3.835 50 0 IHAARN Clc1cccc(-c2cnc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)o2)c1 ZINC000040105784 569488276 /nfs/dbraw/zinc/48/82/76/569488276.db2.gz LZKDGHIOGMVZHJ-UHFFFAOYSA-N 0 0 426.952 3.631 50 0 IHAARN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)n[nH]1 ZINC000040107854 569488468 /nfs/dbraw/zinc/48/84/68/569488468.db2.gz YZBKICIKLJCRKT-QGZVFWFLSA-N 0 0 432.402 3.782 50 0 IHAARN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 ZINC000040107843 569488509 /nfs/dbraw/zinc/48/85/09/569488509.db2.gz GBNHMKCFOIQMPK-IEBWSBKVSA-N 0 0 432.442 3.736 50 0 IHAARN CCCCn1c(SCC(=O)NC(=O)c2cccs2)nnc1-c1ccc(OC)cc1 ZINC000008940973 569488656 /nfs/dbraw/zinc/48/86/56/569488656.db2.gz OGSDFEGKMLBUGI-UHFFFAOYSA-N 0 0 430.555 3.864 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2ccc(OC(C)C)cc2)c(NC(C)C)n1 ZINC000008941336 569488655 /nfs/dbraw/zinc/48/86/55/569488655.db2.gz HQXAQVSIVYUXCP-UHFFFAOYSA-N 0 0 428.562 3.586 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)Nc3nc4ccc(F)cc4s3)n2C)c1 ZINC000008943207 569488758 /nfs/dbraw/zinc/48/87/58/569488758.db2.gz FREIFJCWGXPYHM-UHFFFAOYSA-N 0 0 429.502 3.970 50 0 IHAARN O=C(CN1C(=S)N=NC1c1cccs1)NCc1cccc(OCC(F)(F)F)c1 ZINC000040111918 569488892 /nfs/dbraw/zinc/48/88/92/569488892.db2.gz SUOZFKKJODVMDU-UHFFFAOYSA-N 0 0 428.461 3.553 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O ZINC000040114574 569489102 /nfs/dbraw/zinc/48/91/02/569489102.db2.gz UJMJVKVWMGVIOJ-NPMXOYFQSA-N 0 0 441.553 3.990 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 ZINC000040114392 569489137 /nfs/dbraw/zinc/48/91/37/569489137.db2.gz NKFDTUOWJDAWBL-UHFFFAOYSA-N 0 0 449.960 3.515 50 0 IHAARN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000040118860 569489351 /nfs/dbraw/zinc/48/93/51/569489351.db2.gz LDIYRRLRBMDUFC-CALCHBBNSA-N 0 0 435.615 3.647 50 0 IHAARN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000040118862 569489393 /nfs/dbraw/zinc/48/93/93/569489393.db2.gz LDIYRRLRBMDUFC-IAGOWNOFSA-N 0 0 435.615 3.647 50 0 IHAARN CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@H](C)c1ccccc1Br ZINC000040122717 569489615 /nfs/dbraw/zinc/48/96/15/569489615.db2.gz KBQKXRTZIRSAQD-OAHLLOKOSA-N 0 0 445.423 3.810 50 0 IHAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040122400 569489658 /nfs/dbraw/zinc/48/96/58/569489658.db2.gz NPNRXIXKXZDQHN-UHFFFAOYSA-N 0 0 429.307 3.777 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)N1CCCc3ccccc31)c2=O ZINC000008955468 569490140 /nfs/dbraw/zinc/49/01/40/569490140.db2.gz ZKJCAPJJJFGFHL-UHFFFAOYSA-N 0 0 434.496 3.947 50 0 IHAARN Cc1c2cnn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965380 569491464 /nfs/dbraw/zinc/49/14/64/569491464.db2.gz RFEYDIDLPKWFHP-UHFFFAOYSA-N 0 0 448.954 3.875 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000008965510 569491484 /nfs/dbraw/zinc/49/14/84/569491484.db2.gz NWZKWVZQVHFCJL-KRWDZBQOSA-N 0 0 443.550 3.520 50 0 IHAARN O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000008966081 569491676 /nfs/dbraw/zinc/49/16/76/569491676.db2.gz BNOFSBGRIITTEN-HXUWFJFHSA-N 0 0 448.870 3.665 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000008968158 569491758 /nfs/dbraw/zinc/49/17/58/569491758.db2.gz LREIUWNUEVUUTK-SFHVURJKSA-N 0 0 439.555 3.689 50 0 IHAARN O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000040145852 569492232 /nfs/dbraw/zinc/49/22/32/569492232.db2.gz TWRRDCAPYYMZMO-UHFFFAOYSA-N 0 0 432.517 3.693 50 0 IHAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008971255 569492759 /nfs/dbraw/zinc/49/27/59/569492759.db2.gz YGJXOHQKXGDKKT-HSZRJFAPSA-N 0 0 445.519 3.569 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1F ZINC000008977474 569493037 /nfs/dbraw/zinc/49/30/37/569493037.db2.gz HIZVUUFGQWNDSU-UHFFFAOYSA-N 0 0 440.496 3.834 50 0 IHAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000009127319 569505139 /nfs/dbraw/zinc/50/51/39/569505139.db2.gz NTGZWUJAJTXNIT-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000008983194 569494645 /nfs/dbraw/zinc/49/46/45/569494645.db2.gz ICUJNDCYZZPJAU-UHFFFAOYSA-N 0 0 443.569 3.699 50 0 IHAARN C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000008985757 569494833 /nfs/dbraw/zinc/49/48/33/569494833.db2.gz LQSXHEFCUGRWSA-GOSISDBHSA-N 0 0 437.677 3.798 50 0 IHAARN COCCOc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccn1 ZINC000244955809 569496582 /nfs/dbraw/zinc/49/65/82/569496582.db2.gz GANURELKQXBHRY-UHFFFAOYSA-N 0 0 431.536 3.654 50 0 IHAARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1 ZINC000009016252 569496796 /nfs/dbraw/zinc/49/67/96/569496796.db2.gz PTWRUAVSDHYNOR-UHFFFAOYSA-N 0 0 443.551 3.677 50 0 IHAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCC[C@H]1C1OCCO1 ZINC000069200563 569496946 /nfs/dbraw/zinc/49/69/46/569496946.db2.gz HKBUBEMNXGAVOS-IBGZPJMESA-N 0 0 428.554 3.619 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000245020842 569496996 /nfs/dbraw/zinc/49/69/96/569496996.db2.gz MJXDTPRSWQDOHZ-INIZCTEOSA-N 0 0 438.427 3.975 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000009034027 569497198 /nfs/dbraw/zinc/49/71/98/569497198.db2.gz HFUCERTYCQLSKU-SBUREZEXSA-N 0 0 438.480 3.626 50 0 biogenic IHAARN COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)cc3)n2)cc1OC ZINC000040287959 569498430 /nfs/dbraw/zinc/49/84/30/569498430.db2.gz PDNHDUMHPUFJBQ-UHFFFAOYSA-N 0 0 429.270 3.573 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000245228483 569499727 /nfs/dbraw/zinc/49/97/27/569499727.db2.gz ZVVCGFNPWQUFIO-WIBJQZJXSA-N 0 0 443.544 3.571 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009083396 569500543 /nfs/dbraw/zinc/50/05/43/569500543.db2.gz ZAXSAFPXTFHYIW-UHFFFAOYSA-N 0 0 446.532 3.945 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245239988 569500587 /nfs/dbraw/zinc/50/05/87/569500587.db2.gz NTSFFQMVOFRTAF-NXMSCROESA-N 0 0 429.561 3.959 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009094863 569501257 /nfs/dbraw/zinc/50/12/57/569501257.db2.gz LHLWWFWNXBWFLB-QHCPKHFHSA-N 0 0 438.549 3.922 50 0 IHAARN COc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000009094940 569501268 /nfs/dbraw/zinc/50/12/68/569501268.db2.gz PLFZJXYWEYMWGM-UHFFFAOYSA-N 0 0 447.340 3.724 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)CC1 ZINC000245257915 569501644 /nfs/dbraw/zinc/50/16/44/569501644.db2.gz HZVPNKZTUREFDL-DBXWQHBBSA-N 0 0 437.584 3.686 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)c1 ZINC000009106826 569501857 /nfs/dbraw/zinc/50/18/57/569501857.db2.gz PKVYADIBWMOIFX-IBGZPJMESA-N 0 0 435.592 3.858 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1C ZINC000009106821 569501858 /nfs/dbraw/zinc/50/18/58/569501858.db2.gz HSDMJEFZYQPCGL-IBGZPJMESA-N 0 0 435.592 3.858 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000245283967 569502207 /nfs/dbraw/zinc/50/22/07/569502207.db2.gz PIUYPXUTSDKKIW-ZIFCJYIRSA-N 0 0 437.565 3.934 50 0 IHAARN CCCN(c1ccccc1OC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000009117068 569503027 /nfs/dbraw/zinc/50/30/27/569503027.db2.gz BCMFXSBIHSTGJP-MRXNPFEDSA-N 0 0 428.554 3.988 50 0 IHAARN O=C(NCc1ccccc1F)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000009117811 569503204 /nfs/dbraw/zinc/50/32/04/569503204.db2.gz KLFHRJTZWKEZJG-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN Cc1sc2nc(S[C@H](C)C(=O)NC[C@@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C ZINC000009119615 569503551 /nfs/dbraw/zinc/50/35/51/569503551.db2.gz DOAKAYHUKYMERC-ZBFHGGJFSA-N 0 0 435.615 3.966 50 0 IHAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1C ZINC000009125027 569504561 /nfs/dbraw/zinc/50/45/61/569504561.db2.gz ZPVDOYCABPACGO-SANMLTNESA-N 0 0 433.552 3.938 50 0 IHAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009128402 569505408 /nfs/dbraw/zinc/50/54/08/569505408.db2.gz YDXOWDCCUNYFCB-UHFFFAOYSA-N 0 0 425.491 3.862 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1OC ZINC000009129719 569505865 /nfs/dbraw/zinc/50/58/65/569505865.db2.gz OKJZJSRGAFIJLG-BWKNWUBXSA-N 0 0 428.444 3.785 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c1 ZINC000009130139 569505973 /nfs/dbraw/zinc/50/59/73/569505973.db2.gz QAPLYOLNSIOZEF-XXBNENTESA-N 0 0 434.473 3.846 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450478 569506367 /nfs/dbraw/zinc/50/63/67/569506367.db2.gz MVIRLISNZCQGLC-WBMJQRKESA-N 0 0 441.391 3.605 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(C)C)c2=O)c(Br)c1 ZINC000040478635 569506761 /nfs/dbraw/zinc/50/67/61/569506761.db2.gz BQQLOBGPROCVGC-UHFFFAOYSA-N 0 0 444.329 3.529 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)nc2N)cc1 ZINC000009152112 569507730 /nfs/dbraw/zinc/50/77/30/569507730.db2.gz FESBXQPFNZGRJF-UHFFFAOYSA-N 0 0 442.566 3.746 50 0 IHAARN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 ZINC000009252883 569516098 /nfs/dbraw/zinc/51/60/98/569516098.db2.gz SLUWZZBMZNQWJC-SECBINFHSA-N 0 0 430.338 3.909 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166440 569508916 /nfs/dbraw/zinc/50/89/16/569508916.db2.gz ZNDGVSWPCKXSBX-UHFFFAOYSA-N 0 0 445.541 3.607 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009167272 569508973 /nfs/dbraw/zinc/50/89/73/569508973.db2.gz QAGPUVIOASQLPO-UHFFFAOYSA-N 0 0 448.483 3.785 50 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ZINC000009518014 569543842 /nfs/dbraw/zinc/54/38/42/569543842.db2.gz YSMMJGSAMIGEOJ-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN CCN(CC)C(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1OC ZINC000009518302 569544052 /nfs/dbraw/zinc/54/40/52/569544052.db2.gz KKXOPLCWWCAXEI-UHFFFAOYSA-N 0 0 436.537 3.836 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000009540096 569545740 /nfs/dbraw/zinc/54/57/40/569545740.db2.gz IBZWDHGXRKDETC-GOSISDBHSA-N 0 0 435.402 3.989 50 0 IHAARN COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@H](Cc3ccccc3)C1=O)oc1ccccc12 ZINC000009544736 569546009 /nfs/dbraw/zinc/54/60/09/569546009.db2.gz GYLDXUPVHVERHK-IBGZPJMESA-N 0 0 443.459 3.696 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009545849 569546208 /nfs/dbraw/zinc/54/62/08/569546208.db2.gz ANOAAUVJMLMWEI-UHFFFAOYSA-N 0 0 449.389 3.749 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000009548458 569546444 /nfs/dbraw/zinc/54/64/44/569546444.db2.gz LDBRWNBMPZAOKG-AVRWGWEMSA-N 0 0 449.507 3.680 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)c4ccccc4F)n3n2)cc1OC ZINC000009568919 569547518 /nfs/dbraw/zinc/54/75/18/569547518.db2.gz OEMDDSGCMYVYRF-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)c1 ZINC000009573731 569547865 /nfs/dbraw/zinc/54/78/65/569547865.db2.gz YNFMBSHOCGEZTN-UHFFFAOYSA-N 0 0 440.525 3.660 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009575791 569548012 /nfs/dbraw/zinc/54/80/12/569548012.db2.gz UILSJWOVDYCNOP-SFHVURJKSA-N 0 0 442.459 3.896 50 0 IHAARN C[C@H]1CCN(C(=O)CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc2S1 ZINC000009576195 569548088 /nfs/dbraw/zinc/54/80/88/569548088.db2.gz PAZNIEFHQWEWNC-KRWDZBQOSA-N 0 0 436.581 3.884 50 0 IHAARN Cc1oc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)c2c1c(C)n[nH]c2=O ZINC000009578280 569548333 /nfs/dbraw/zinc/54/83/33/569548333.db2.gz AQOQUQZBIHGGKN-UHFFFAOYSA-N 0 0 429.527 3.794 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)cc1 ZINC000070637600 569548924 /nfs/dbraw/zinc/54/89/24/569548924.db2.gz JTVIAYNYEYLKRN-UHFFFAOYSA-N 0 0 426.879 3.907 50 0 IHAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009582102 569549163 /nfs/dbraw/zinc/54/91/63/569549163.db2.gz ODOHGUMDMXJMQY-UHFFFAOYSA-N 0 0 434.905 3.559 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000009586136 569549645 /nfs/dbraw/zinc/54/96/45/569549645.db2.gz GUCOGHXMZLBPMS-UHFFFAOYSA-N 0 0 426.485 3.591 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2cccc(F)c2)c2ccccc2)c1 ZINC000009587132 569549802 /nfs/dbraw/zinc/54/98/02/569549802.db2.gz MNAAMYZOAUIDSO-QHCPKHFHSA-N 0 0 448.450 3.681 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000009588539 569549870 /nfs/dbraw/zinc/54/98/70/569549870.db2.gz DPRRUIVKIYQSCV-UHFFFAOYSA-N 0 0 429.527 3.796 50 0 IHAARN O=C(NCc1ccc(OCc2ccccc2)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000070655762 569550096 /nfs/dbraw/zinc/55/00/96/569550096.db2.gz GCHNSZZZGADNDB-UHFFFAOYSA-N 0 0 436.458 3.932 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000009593185 569550380 /nfs/dbraw/zinc/55/03/80/569550380.db2.gz QMWXTMCWNIQAFQ-QFIPXVFZSA-N 0 0 426.476 3.984 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCSc2ccccc2)C1=O ZINC000009593721 569550450 /nfs/dbraw/zinc/55/04/50/569550450.db2.gz DNLAVHGLLDIRQN-VWLOTQADSA-N 0 0 447.560 3.905 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2OC)C12CCCC2 ZINC000070666372 569550623 /nfs/dbraw/zinc/55/06/23/569550623.db2.gz GUPNURLRRCQHIF-HSZRJFAPSA-N 0 0 436.552 3.553 50 0 biogenic IHAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@H]4CCOC(C)(C)C4)cc3)c(=O)oc21 ZINC000070666578 569550645 /nfs/dbraw/zinc/55/06/45/569550645.db2.gz KVWLMVRJIDCWEN-SFHVURJKSA-N 0 0 437.492 3.921 50 0 biogenic IHAARN CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009595464 569550681 /nfs/dbraw/zinc/55/06/81/569550681.db2.gz SWZAVOYTPHJWSA-UHFFFAOYSA-N 0 0 425.466 3.823 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCC(=O)N3CCCC3)c3ccccc3n2)cc1OC ZINC000009595158 569550712 /nfs/dbraw/zinc/55/07/12/569550712.db2.gz ZASKGTNTMQXKIK-UHFFFAOYSA-N 0 0 433.508 3.661 50 0 IHAARN Cc1oc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1c(C)n[nH]c2=O ZINC000009595577 569550766 /nfs/dbraw/zinc/55/07/66/569550766.db2.gz NDFRZGFHQILLHC-UHFFFAOYSA-N 0 0 443.887 3.780 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)NCCc1ccc(Cl)cc1 ZINC000009597768 569550941 /nfs/dbraw/zinc/55/09/41/569550941.db2.gz SBNPKYWXQYYLGJ-UHFFFAOYSA-N 0 0 436.780 3.687 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3ccc4nnc(-c5cccnc5)n4n3)sc2c1 ZINC000009599835 569551326 /nfs/dbraw/zinc/55/13/26/569551326.db2.gz GCXAYHUCSKNNEU-UHFFFAOYSA-N 0 0 433.522 3.835 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000009602513 569551728 /nfs/dbraw/zinc/55/17/28/569551728.db2.gz ZUMXEDNOIQXZHY-NVQXNPDNSA-N 0 0 427.504 3.801 50 0 IHAARN Cc1cc2sc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000009604132 569551869 /nfs/dbraw/zinc/55/18/69/569551869.db2.gz CLPACUABRYTSSI-UHFFFAOYSA-N 0 0 445.610 3.672 50 0 IHAARN COc1ccc(CCNC(=O)CCc2nc3cccnc3n2-c2ccccc2)c(OC)c1 ZINC000009611528 569552730 /nfs/dbraw/zinc/55/27/30/569552730.db2.gz UOZVZPNQINOMQK-UHFFFAOYSA-N 0 0 430.508 3.729 50 0 IHAARN CCN(CC)C(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000009615719 569553240 /nfs/dbraw/zinc/55/32/40/569553240.db2.gz FGDYNMDSAPPUAA-UHFFFAOYSA-N 0 0 445.972 3.615 50 0 IHAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000009627850 569553567 /nfs/dbraw/zinc/55/35/67/569553567.db2.gz DZHPEDXBFTYUFC-UHFFFAOYSA-N 0 0 429.929 3.959 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1OC ZINC000009628108 569553621 /nfs/dbraw/zinc/55/36/21/569553621.db2.gz MZSOBNSUJKLHNG-UHFFFAOYSA-N 0 0 445.928 3.925 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1sccc1-c1ccccc1 ZINC000009633842 569554347 /nfs/dbraw/zinc/55/43/47/569554347.db2.gz MXJHKCMDSMPHDE-UHFFFAOYSA-N 0 0 428.535 3.688 50 0 IHAARN NC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000009634347 569554452 /nfs/dbraw/zinc/55/44/52/569554452.db2.gz XODLWDQHRBVVTM-OAQYLSRUSA-N 0 0 435.911 3.543 50 0 IHAARN O=S(=O)(c1ccc(Oc2ncnc3sc4c(c32)CCCCC4)cc1)N1CCOCC1 ZINC000009640519 569555377 /nfs/dbraw/zinc/55/53/77/569555377.db2.gz VBFYAZVFMUNRSO-UHFFFAOYSA-N 0 0 445.566 3.773 50 0 IHAARN COc1ccccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n21 ZINC000009640778 569555446 /nfs/dbraw/zinc/55/54/46/569555446.db2.gz IGPLMFUXMYTKDZ-UHFFFAOYSA-N 0 0 428.901 3.918 50 0 IHAARN C=C1C(N2CCC(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642047 569555813 /nfs/dbraw/zinc/55/58/13/569555813.db2.gz PWXIWHLMKGMKME-UHFFFAOYSA-N 0 0 437.993 3.687 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1-c1cccs1 ZINC000009643439 569555940 /nfs/dbraw/zinc/55/59/40/569555940.db2.gz WDVMCUGYQUEFNI-LBPRGKRZSA-N 0 0 436.584 3.762 50 0 IHAARN CCCCn1c2nc(COC(=O)[C@@H](c3ccccc3)[C@H](C)CC)n(CC)c2c(=O)[nH]c1=O ZINC000009646790 569556313 /nfs/dbraw/zinc/55/63/13/569556313.db2.gz DAZYUSFIGDMXDO-VQIMIIECSA-N 0 0 440.544 3.579 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1OC ZINC000009659184 569556550 /nfs/dbraw/zinc/55/65/50/569556550.db2.gz QGZYCXFIOQEFHO-UHFFFAOYSA-N 0 0 433.436 3.872 50 0 IHAARN Cn1cc(C(=O)Nc2cccc3ccccc32)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009659657 569556705 /nfs/dbraw/zinc/55/67/05/569556705.db2.gz FQFOGWDOGVYKRT-UHFFFAOYSA-N 0 0 428.423 3.562 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000009661936 569557068 /nfs/dbraw/zinc/55/70/68/569557068.db2.gz XTOSHOULNMYGJN-FQEVSTJZSA-N 0 0 434.279 3.602 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)nc2n1 ZINC000009666117 569557690 /nfs/dbraw/zinc/55/76/90/569557690.db2.gz CDTQMYKPKJHODD-UHFFFAOYSA-N 0 0 435.557 3.955 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NC(=O)Nc1ccccc1F ZINC000009669469 569558021 /nfs/dbraw/zinc/55/80/21/569558021.db2.gz CGHLJHKEASPSCX-UHFFFAOYSA-N 0 0 425.489 3.783 50 0 IHAARN Cc1ccc(-c2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)n[nH]2)cc1 ZINC000009669643 569558128 /nfs/dbraw/zinc/55/81/28/569558128.db2.gz WCWNAHHQSBEVGH-LBPRGKRZSA-N 0 0 441.582 3.796 50 0 IHAARN COc1ccc(-c2noc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)n2)cc1 ZINC000009671700 569558628 /nfs/dbraw/zinc/55/86/28/569558628.db2.gz ZQDLLBGIJPVWSL-UHFFFAOYSA-N 0 0 440.459 3.741 50 0 IHAARN CN(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(=O)(=O)c1cccs1 ZINC000009672220 569558718 /nfs/dbraw/zinc/55/87/18/569558718.db2.gz WZIZTOSQDKZSIC-UHFFFAOYSA-N 0 0 426.523 3.551 50 0 IHAARN CCn1nnc2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc21 ZINC000009672315 569558766 /nfs/dbraw/zinc/55/87/66/569558766.db2.gz GAXKLQAIZSIKRU-UHFFFAOYSA-N 0 0 439.472 3.643 50 0 IHAARN Cc1sc2nc([C@@H](C)OC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)[nH]c(=O)c2c1C ZINC000009684367 569560550 /nfs/dbraw/zinc/56/05/50/569560550.db2.gz DRRPUTUFDYGEIP-SECBINFHSA-N 0 0 442.465 3.516 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)s2)on1 ZINC000009689009 569560901 /nfs/dbraw/zinc/56/09/01/569560901.db2.gz QBXLYUQYQWQTNR-OAHLLOKOSA-N 0 0 432.523 3.758 50 0 IHAARN O=C1N[C@H](c2cccc(Br)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009704297 569561461 /nfs/dbraw/zinc/56/14/61/569561461.db2.gz QFHWXDRJPSSTMX-CKEIUWERSA-N 0 0 443.219 3.553 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000009708266 569561865 /nfs/dbraw/zinc/56/18/65/569561865.db2.gz GCFBMEPBSYNAQK-FQEVSTJZSA-N 0 0 439.968 3.938 50 0 IHAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708275 569561881 /nfs/dbraw/zinc/56/18/81/569561881.db2.gz PQJXNQPXZNUNKB-JOCHJYFZSA-N 0 0 433.577 3.717 50 0 IHAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009710965 569562014 /nfs/dbraw/zinc/56/20/14/569562014.db2.gz NEQOUZKRVSISAF-KRWDZBQOSA-N 0 0 431.500 3.558 50 0 IHAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000009714475 569562810 /nfs/dbraw/zinc/56/28/10/569562810.db2.gz GOWZNBYBGKRSRF-UHFFFAOYSA-N 0 0 449.536 3.530 50 0 IHAARN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000009715182 569563012 /nfs/dbraw/zinc/56/30/12/569563012.db2.gz CONPNSYWJUSXQV-INIZCTEOSA-N 0 0 448.552 3.740 50 0 IHAARN CC(=O)c1ccc(NC(=O)COc2coc(CN3c4ccccc4C[C@@H]3C)cc2=O)cc1 ZINC000009716517 569563218 /nfs/dbraw/zinc/56/32/18/569563218.db2.gz GDGXHHMPPZGXAB-INIZCTEOSA-N 0 0 432.476 3.811 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000009717095 569563247 /nfs/dbraw/zinc/56/32/47/569563247.db2.gz WQFZJUGRXOFGJH-UHFFFAOYSA-N 0 0 445.566 3.533 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Cl)c1 ZINC000009721712 569563366 /nfs/dbraw/zinc/56/33/66/569563366.db2.gz AYYFVZUWMHEAFO-UHFFFAOYSA-N 0 0 446.956 3.750 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2Cc3ccccc3N2C(=O)CC)cc(OCC)c1OCC ZINC000009728907 569564244 /nfs/dbraw/zinc/56/42/44/569564244.db2.gz FYRIBHUEXHZOMA-HXUWFJFHSA-N 0 0 440.540 3.867 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1cc(C)n(C(C)C)c1C ZINC000009731337 569564546 /nfs/dbraw/zinc/56/45/46/569564546.db2.gz YTNSMMIUIGTXQC-UHFFFAOYSA-N 0 0 434.587 3.678 50 0 IHAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C ZINC000009731698 569564698 /nfs/dbraw/zinc/56/46/98/569564698.db2.gz CFAVWCVKDKEOOY-UHFFFAOYSA-N 0 0 426.567 3.869 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)cc1 ZINC000009737963 569564864 /nfs/dbraw/zinc/56/48/64/569564864.db2.gz AFNAWZGVIRFDNA-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)C4=CSCCO4)c3)c2c1 ZINC000009738642 569564904 /nfs/dbraw/zinc/56/49/04/569564904.db2.gz BNMWLADCFKNZKF-UHFFFAOYSA-N 0 0 437.521 3.692 50 0 biogenic IHAARN C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccco1 ZINC000009738897 569564971 /nfs/dbraw/zinc/56/49/71/569564971.db2.gz FTGRLVWKMSTDJW-OAHLLOKOSA-N 0 0 439.965 3.787 50 0 IHAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2s1 ZINC000009739364 569565009 /nfs/dbraw/zinc/56/50/09/569565009.db2.gz SUZJODXYHMBPAT-CQSZACIVSA-N 0 0 444.582 3.828 50 0 IHAARN Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 ZINC000009743844 569565550 /nfs/dbraw/zinc/56/55/50/569565550.db2.gz YQRSUDUGTUKRCX-UHFFFAOYSA-N 0 0 445.494 3.554 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C ZINC000009753777 569566169 /nfs/dbraw/zinc/56/61/69/569566169.db2.gz PGAIUZBKHKUODC-MYYSRTQBSA-N 0 0 437.496 3.708 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000009764909 569566758 /nfs/dbraw/zinc/56/67/58/569566758.db2.gz AMZDMMQPHPQWHJ-UHFFFAOYSA-N 0 0 438.285 3.957 50 0 IHAARN Nc1cc(OC(=O)c2cccc3ccccc32)nn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009775673 569566976 /nfs/dbraw/zinc/56/69/76/569566976.db2.gz JIOQSAPFXHVFAR-UHFFFAOYSA-N 0 0 427.869 3.728 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009780209 569567437 /nfs/dbraw/zinc/56/74/37/569567437.db2.gz UPQNGYBXMAEOBD-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN CCn1c(CCC(N)=O)nnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000009796758 569568495 /nfs/dbraw/zinc/56/84/95/569568495.db2.gz QRWFSAXVPZRGSE-QFIPXVFZSA-N 0 0 433.537 3.914 50 0 IHAARN CCn1c(CCC(N)=O)nnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000009796762 569568497 /nfs/dbraw/zinc/56/84/97/569568497.db2.gz QRWFSAXVPZRGSE-JOCHJYFZSA-N 0 0 433.537 3.914 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3cccnc32)ccc1C ZINC000009812572 569569083 /nfs/dbraw/zinc/56/90/83/569569083.db2.gz CXPGATYNUUMFOB-KRWDZBQOSA-N 0 0 441.553 3.980 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)cc4Cl)cn(C)c3c2=O)cc1 ZINC000009820836 569569420 /nfs/dbraw/zinc/56/94/20/569569420.db2.gz JZXUBEXDDHINMS-UHFFFAOYSA-N 0 0 443.290 3.885 50 0 IHAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC3)n1 ZINC000009828808 569569914 /nfs/dbraw/zinc/56/99/14/569569914.db2.gz NROQRSAWLQJMLO-UHFFFAOYSA-N 0 0 445.445 3.582 50 0 IHAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)/C=C/c3ccc4c(c3)OCO4)co2)n1 ZINC000009829276 569570015 /nfs/dbraw/zinc/57/00/15/569570015.db2.gz SQMRHQUBKQVADU-GQCTYLIASA-N 0 0 438.461 3.686 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000009833530 569570309 /nfs/dbraw/zinc/57/03/09/569570309.db2.gz JUEFNARAPQFMJI-HNNXBMFYSA-N 0 0 441.532 3.967 50 0 IHAARN Cc1csc(-c2ccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000009836722 569570773 /nfs/dbraw/zinc/57/07/73/569570773.db2.gz LHANIAILLRNWTQ-IBGZPJMESA-N 0 0 442.562 3.718 50 0 IHAARN COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009847001 569571088 /nfs/dbraw/zinc/57/10/88/569571088.db2.gz MQUHVXSCGFLMMJ-UHFFFAOYSA-N 0 0 442.512 3.688 50 0 IHAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2c1 ZINC000009848074 569571213 /nfs/dbraw/zinc/57/12/13/569571213.db2.gz QHCJFPVFIANQHS-MRXNPFEDSA-N 0 0 439.537 3.957 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1 ZINC000009848325 569571252 /nfs/dbraw/zinc/57/12/52/569571252.db2.gz KJBPLEWVDBBZIB-QGZVFWFLSA-N 0 0 444.601 3.867 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(F)cc1 ZINC000009851287 569571455 /nfs/dbraw/zinc/57/14/55/569571455.db2.gz CYXNVCITTBROLI-UHFFFAOYSA-N 0 0 448.903 3.975 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009862925 569572030 /nfs/dbraw/zinc/57/20/30/569572030.db2.gz YPNFWEDYDCKPNH-HUUCEWRRSA-N 0 0 437.521 3.640 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)OCCO2 ZINC000009871731 569572434 /nfs/dbraw/zinc/57/24/34/569572434.db2.gz GMPFWBROZQQFDV-AWEZNQCLSA-N 0 0 442.566 3.891 50 0 IHAARN Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000009873574 569572546 /nfs/dbraw/zinc/57/25/46/569572546.db2.gz CBJIXOIHRMWELA-UHFFFAOYSA-N 0 0 436.533 3.555 50 0 IHAARN C[C@@H]1CCN(C(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2S1 ZINC000009876611 569572693 /nfs/dbraw/zinc/57/26/93/569572693.db2.gz KYZPUBXJDGSNED-QGZVFWFLSA-N 0 0 445.610 3.801 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)c(OC)c1 ZINC000009926272 569573622 /nfs/dbraw/zinc/57/36/22/569573622.db2.gz GFFIQECGWNSRSU-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC(C)C)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936525 569573806 /nfs/dbraw/zinc/57/38/06/569573806.db2.gz VNTNFCLTJKCLKO-NHCUHLMSSA-N 0 0 428.554 3.861 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1C ZINC000009936908 569573813 /nfs/dbraw/zinc/57/38/13/569573813.db2.gz AQGNCXZMWJBGDW-UHFFFAOYSA-N 0 0 437.934 3.593 50 0 IHAARN CSc1cccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009940443 569573888 /nfs/dbraw/zinc/57/38/88/569573888.db2.gz VRMBJOGNTSROFK-ROUUACIJSA-N 0 0 440.949 3.809 50 0 IHAARN CSc1cccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009940451 569573890 /nfs/dbraw/zinc/57/38/90/569573890.db2.gz VRMBJOGNTSROFK-MSOLQXFVSA-N 0 0 440.949 3.809 50 0 IHAARN Cc1ccc(-c2noc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)n2)cc1 ZINC000009949183 569574225 /nfs/dbraw/zinc/57/42/25/569574225.db2.gz ZDDRTAAXMCNZAD-UHFFFAOYSA-N 0 0 448.552 3.814 50 0 IHAARN O=C(COc1cccc(-n2cnnn2)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009949683 569574236 /nfs/dbraw/zinc/57/42/36/569574236.db2.gz WTYHRVIBRCEXLR-HXUWFJFHSA-N 0 0 448.870 3.665 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009956422 569574735 /nfs/dbraw/zinc/57/47/35/569574735.db2.gz KYJWOENDMJUIFG-UHFFFAOYSA-N 0 0 434.561 3.742 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC000009956433 569574759 /nfs/dbraw/zinc/57/47/59/569574759.db2.gz CKWAULKYSQZKPU-GOSISDBHSA-N 0 0 446.594 3.883 50 0 IHAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccco2)c1=O)Nc1ccc(F)cc1 ZINC000009959855 569575271 /nfs/dbraw/zinc/57/52/71/569575271.db2.gz HTFQFJVVHHBIFX-UHFFFAOYSA-N 0 0 449.463 3.797 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 ZINC000071327974 569575410 /nfs/dbraw/zinc/57/54/10/569575410.db2.gz PQTNBOOOVWAKDC-UHFFFAOYSA-N 0 0 433.508 3.794 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000009963971 569575886 /nfs/dbraw/zinc/57/58/86/569575886.db2.gz SLWPUUHPOKVEHN-GOSISDBHSA-N 0 0 446.212 3.816 50 0 IHAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1Oc1ccccc1 ZINC000009963984 569575921 /nfs/dbraw/zinc/57/59/21/569575921.db2.gz WFFOZLHIFMJMDS-UHFFFAOYSA-N 0 0 436.489 3.651 50 0 IHAARN Cc1cc2c(nc(SCC(=O)NCc3ccccc3)n(Cc3ccco3)c2=O)s1 ZINC000009970685 569576224 /nfs/dbraw/zinc/57/62/24/569576224.db2.gz CYPLARLOEOCJAM-UHFFFAOYSA-N 0 0 425.535 3.816 50 0 IHAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009972695 569576372 /nfs/dbraw/zinc/57/63/72/569576372.db2.gz OKEGKYSMTOELRZ-RUZDIDTESA-N 0 0 441.487 3.978 50 0 IHAARN CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000009983820 569576629 /nfs/dbraw/zinc/57/66/29/569576629.db2.gz NLJRRVRPPKLOBS-UHFFFAOYSA-N 0 0 447.948 3.814 50 0 IHAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NC(=O)NC1CCCC1 ZINC000009988959 569576843 /nfs/dbraw/zinc/57/68/43/569576843.db2.gz MAYJUCPXPZHXRO-UHFFFAOYSA-N 0 0 436.965 3.566 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c1 ZINC000010022438 569577280 /nfs/dbraw/zinc/57/72/80/569577280.db2.gz NYSOFFQMMMEVPC-KRWDZBQOSA-N 0 0 443.569 3.560 50 0 IHAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000010035140 569577391 /nfs/dbraw/zinc/57/73/91/569577391.db2.gz IMVCFIQTIJEQDO-UHFFFAOYSA-N 0 0 441.294 3.602 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000010062667 569577618 /nfs/dbraw/zinc/57/76/18/569577618.db2.gz HVQRUMFTSDRFBZ-UHFFFAOYSA-N 0 0 430.464 3.572 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)cc1C ZINC000010086407 569577719 /nfs/dbraw/zinc/57/77/19/569577719.db2.gz UHIAAAKMABZWAN-PMACEKPBSA-N 0 0 432.973 3.593 50 0 IHAARN Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1I ZINC000010180102 569578296 /nfs/dbraw/zinc/57/82/96/569578296.db2.gz FMJNKOUGXUCYOV-UHFFFAOYSA-N 0 0 449.292 3.777 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000010187900 569578758 /nfs/dbraw/zinc/57/87/58/569578758.db2.gz DDFRFBBUYZWJRG-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN Cc1cc(SCC(=O)N2CCN(c3nccs3)CC2)c(C)cc1Br ZINC000010270416 569579996 /nfs/dbraw/zinc/57/99/96/569579996.db2.gz GISZNRRKGJSTDC-UHFFFAOYSA-N 0 0 426.405 3.963 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000010272526 569580194 /nfs/dbraw/zinc/58/01/94/569580194.db2.gz GOKLFMDOWBEDHR-UHFFFAOYSA-N 0 0 445.500 3.966 50 0 IHAARN COc1cc(NC(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc(OC)c1 ZINC000010272819 569580236 /nfs/dbraw/zinc/58/02/36/569580236.db2.gz DSMBBDKLWYWIJK-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)c(OC)cc4OC)c3C)n2)cc1 ZINC000010273826 569580313 /nfs/dbraw/zinc/58/03/13/569580313.db2.gz BUSABUCZSQZCEA-UHFFFAOYSA-N 0 0 427.848 3.972 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 ZINC000071768271 569580649 /nfs/dbraw/zinc/58/06/49/569580649.db2.gz XKABKIQLUJBYOM-UHFFFAOYSA-N 0 0 444.495 3.914 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)c2)n1 ZINC000071768480 569580751 /nfs/dbraw/zinc/58/07/51/569580751.db2.gz XJMVFEIIHBQWFB-UHFFFAOYSA-N 0 0 446.511 3.987 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 ZINC000010337636 569581337 /nfs/dbraw/zinc/58/13/37/569581337.db2.gz MMXZWHNCXPGWCO-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC(=O)c1ccco1 ZINC000010394592 569581854 /nfs/dbraw/zinc/58/18/54/569581854.db2.gz GHUPPNKYXWZZJX-UHFFFAOYSA-N 0 0 433.342 3.550 50 0 IHAARN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)cnc1Cl ZINC000071818563 569581915 /nfs/dbraw/zinc/58/19/15/569581915.db2.gz KGCPYSYJSKYVSR-UKRRQHHQSA-N 0 0 449.729 3.835 50 0 IHAARN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cnc1Cl ZINC000071818561 569581927 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IHAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)C1CC1 ZINC000036049319 569583930 /nfs/dbraw/zinc/58/39/30/569583930.db2.gz PPHPMXXSAMOWPC-UHFFFAOYSA-N 0 0 448.523 3.754 50 0 IHAARN O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1n[nH]cc1I ZINC000012648953 569583942 /nfs/dbraw/zinc/58/39/42/569583942.db2.gz JTRPRRYIXIELTI-UHFFFAOYSA-N 0 0 443.248 3.665 50 0 IHAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c12 ZINC000036359269 569584952 /nfs/dbraw/zinc/58/49/52/569584952.db2.gz IOLHLYIPRVOCPO-UHFFFAOYSA-N 0 0 430.511 3.920 50 0 IHAARN Cc1ccc(-n2nnc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000077100295 569585373 /nfs/dbraw/zinc/58/53/73/569585373.db2.gz KUBVYGZKBVFTFZ-UHFFFAOYSA-N 0 0 438.535 3.518 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](NC(=O)Nc4cccc(C)c4)C3)n2)cc1F ZINC000077100807 569585483 /nfs/dbraw/zinc/58/54/83/569585483.db2.gz QWWQXNIPXPMWOE-GOSISDBHSA-N 0 0 439.491 3.979 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 ZINC000077135674 569585643 /nfs/dbraw/zinc/58/56/43/569585643.db2.gz MSHBFPQHRRVAJJ-UHFFFAOYSA-N 0 0 434.540 3.770 50 0 IHAARN COc1cccc(-c2nc(Cn3cc(-c4nc(-c5ccsc5)no4)ccc3=O)no2)c1 ZINC000077200456 569586440 /nfs/dbraw/zinc/58/64/40/569586440.db2.gz PAHRZVSCMLCNAB-UHFFFAOYSA-N 0 0 433.449 3.734 50 0 IHAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC(C)C ZINC000078239599 569586659 /nfs/dbraw/zinc/58/66/59/569586659.db2.gz SUAARZIPXSEDGZ-DEDYPNTBSA-N 0 0 440.521 3.949 50 0 IHAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2C[C@@H]2CCCO2)CC1 ZINC000021808580 569587147 /nfs/dbraw/zinc/58/71/47/569587147.db2.gz DDDQGTNMNKJGBT-VPVUXMIKSA-N 0 0 429.586 3.791 50 0 IHAARN CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138452 569587378 /nfs/dbraw/zinc/58/73/78/569587378.db2.gz HKJYKYGFDZQAMR-UHFFFAOYSA-N 0 0 431.514 3.922 50 0 IHAARN O=C(NC1CCCCC1)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1 ZINC000035527395 569587700 /nfs/dbraw/zinc/58/77/00/569587700.db2.gz ICNLFBFKMCDARD-UHFFFAOYSA-N 0 0 436.535 3.720 50 0 IHAARN CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037437086 569588040 /nfs/dbraw/zinc/58/80/40/569588040.db2.gz FMCFRYJWNVXDAA-GOSISDBHSA-N 0 0 438.553 3.763 50 0 IHAARN O=c1c2cc(Cl)c(Br)cc2ncn1C[C@H](O)CNc1ccc(Cl)cc1 ZINC000000638914 193866747 /nfs/dbraw/zinc/86/67/47/193866747.db2.gz LYOWLFIGVUWFEX-GFCCVEGCSA-N 0 0 443.128 3.939 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 ZINC000000649917 193871749 /nfs/dbraw/zinc/87/17/49/193871749.db2.gz HOBOSHWCCVMDMU-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C ZINC000006110524 193879680 /nfs/dbraw/zinc/87/96/80/193879680.db2.gz AIYZJHOJIXRNTG-AWEZNQCLSA-N 0 0 427.570 3.921 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000009833988 193900626 /nfs/dbraw/zinc/90/06/26/193900626.db2.gz AOJKHWVQNXYHDN-WMLDXEAASA-N 0 0 436.327 3.560 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1OC ZINC000055061035 193933659 /nfs/dbraw/zinc/93/36/59/193933659.db2.gz SRGJOWHEBFESOS-UHFFFAOYSA-N 0 0 439.487 3.651 50 0 IHAARN CC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096308988 132225647 /nfs/dbraw/zinc/22/56/47/132225647.db2.gz LYECYNWZHDVIOD-SEYXRHQNSA-N 0 0 431.536 3.876 50 0 IHAARN CCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc2c1=O ZINC000009469317 132232173 /nfs/dbraw/zinc/23/21/73/132232173.db2.gz FEJFFXPJYSHYOT-UHFFFAOYSA-N 0 0 446.429 3.524 50 0 IHAARN Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cccc(Cl)c3)n(C)c2=O)cc1 ZINC000009519249 132233060 /nfs/dbraw/zinc/23/30/60/132233060.db2.gz XBUPSBGUPSWTDN-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN COC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccccc2)[C@@H]1C(=O)OC ZINC000000983949 132236728 /nfs/dbraw/zinc/23/67/28/132236728.db2.gz GUZBGWNEPBSXDC-QFIPXVFZSA-N 0 0 428.444 3.540 50 0 IHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C ZINC000002441379 132254530 /nfs/dbraw/zinc/25/45/30/132254530.db2.gz FZOFEJFQOUUXHS-ZDUSSCGKSA-N 0 0 425.460 3.882 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002627878 132255491 /nfs/dbraw/zinc/25/54/91/132255491.db2.gz OJVJTHBVKQSOBW-UHFFFAOYSA-N 0 0 442.821 3.991 50 0 IHAARN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002663789 132256129 /nfs/dbraw/zinc/25/61/29/132256129.db2.gz NSHJCFQRFZXZQJ-CQSZACIVSA-N 0 0 439.566 3.900 50 0 IHAARN CC[C@H](C)NC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C ZINC000002931225 132259238 /nfs/dbraw/zinc/25/92/38/132259238.db2.gz ABSUGFAVZJQXSW-AWEZNQCLSA-N 0 0 427.549 3.994 50 0 IHAARN CCOC(=O)CN1C(=O)/C(=C\c2cc(Br)ccc2OC)Oc2ccccc21 ZINC000003029644 132260640 /nfs/dbraw/zinc/26/06/40/132260640.db2.gz XRMBKVHBKZMDDW-WOJGMQOQSA-N 0 0 432.270 3.787 50 0 IHAARN COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000003327914 132263953 /nfs/dbraw/zinc/26/39/53/132263953.db2.gz OCKUPANPHGPYDE-UHFFFAOYSA-N 0 0 437.462 3.621 50 0 IHAARN C[C@H](C(=O)N1CCCc2ccccc21)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003419671 132265268 /nfs/dbraw/zinc/26/52/68/132265268.db2.gz UMIDHOZNHQVROB-OAHLLOKOSA-N 0 0 435.446 3.823 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)c1C ZINC000003958637 132268429 /nfs/dbraw/zinc/26/84/29/132268429.db2.gz VOLRZXVSMCYQJB-UHFFFAOYSA-N 0 0 428.536 3.609 50 0 IHAARN CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000004122819 132270432 /nfs/dbraw/zinc/27/04/32/132270432.db2.gz GSTCMAGJCPWIHE-UHFFFAOYSA-N 0 0 438.597 3.961 50 0 IHAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000004680411 132272614 /nfs/dbraw/zinc/27/26/14/132272614.db2.gz GQKYRYULAUMKPA-RYQLBKOJSA-N 0 0 425.529 3.928 50 0 IHAARN COC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1N1CCOCC1 ZINC000004711472 132272760 /nfs/dbraw/zinc/27/27/60/132272760.db2.gz HMPBTFHAKQAXIF-UHFFFAOYSA-N 0 0 426.513 3.759 50 0 IHAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NC(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756710 132273163 /nfs/dbraw/zinc/27/31/63/132273163.db2.gz FISIZJDMIWJXDJ-CVDCTZTESA-N 0 0 426.513 3.721 50 0 IHAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000006077394 132275870 /nfs/dbraw/zinc/27/58/70/132275870.db2.gz YODRUDUODQHGED-UHFFFAOYSA-N 0 0 431.920 3.668 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4noc(C)n4)ccc3C)CC2)c(OC)c1 ZINC000008600704 132286339 /nfs/dbraw/zinc/28/63/39/132286339.db2.gz IEVXZXMIHWNRAQ-UHFFFAOYSA-N 0 0 437.500 3.725 50 0 IHAARN COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008607771 132287414 /nfs/dbraw/zinc/28/74/14/132287414.db2.gz QRZLNMLBSSJJFN-UHFFFAOYSA-N 0 0 433.917 3.515 50 0 aggregator IHAARN CCc1ccc(NC(=O)CN2CCSc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000008610963 132288421 /nfs/dbraw/zinc/28/84/21/132288421.db2.gz DONSRWNUCBMUSB-UHFFFAOYSA-N 0 0 445.610 3.584 50 0 IHAARN Cc1onc(-c2ccccc2)c1CNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000008648246 132289085 /nfs/dbraw/zinc/28/90/85/132289085.db2.gz RWBBPVOAWAYLSY-UHFFFAOYSA-N 0 0 445.445 3.992 50 0 IHAARN O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000008654697 132289316 /nfs/dbraw/zinc/28/93/16/132289316.db2.gz ZGHOFWOKXCXRNK-UHFFFAOYSA-N 0 0 435.343 3.637 50 0 IHAARN CCN1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2Cl)CC1 ZINC000008994514 132300220 /nfs/dbraw/zinc/30/02/20/132300220.db2.gz QQTGHUZICRBVPH-UHFFFAOYSA-N 0 0 433.936 3.760 50 0 IHAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 ZINC000009056201 132301333 /nfs/dbraw/zinc/30/13/33/132301333.db2.gz URMAUNAZZKNLBP-QGZVFWFLSA-N 0 0 437.569 3.591 50 0 IHAARN O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009130447 132306008 /nfs/dbraw/zinc/30/60/08/132306008.db2.gz WTONRKKCDLNFPJ-UHFFFAOYSA-N 0 0 440.916 3.872 50 0 IHAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)c1 ZINC000009159001 132307248 /nfs/dbraw/zinc/30/72/48/132307248.db2.gz FQZPNOINDLLOLX-UHFFFAOYSA-N 0 0 443.551 3.688 50 0 IHAARN CCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc(C)c2)c4=O)cc1 ZINC000009160860 132307405 /nfs/dbraw/zinc/30/74/05/132307405.db2.gz NPVJKMNVKJITIT-SFHVURJKSA-N 0 0 443.551 3.604 50 0 IHAARN C[C@@H]1Cn2c3c(nc2N(c2ccc(F)cc2)C1)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009243262 132310384 /nfs/dbraw/zinc/31/03/84/132310384.db2.gz XSRNXQCXYQOXSY-NADMHLTPSA-N 0 0 445.498 3.537 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cc2ccccc2o1 ZINC000009265027 132311841 /nfs/dbraw/zinc/31/18/41/132311841.db2.gz DUQFBPWNCPNEHI-UHFFFAOYSA-N 0 0 449.536 3.796 50 0 IHAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O ZINC000009292824 132312849 /nfs/dbraw/zinc/31/28/49/132312849.db2.gz IYURZVLYVQTDEH-HNNXBMFYSA-N 0 0 449.942 3.695 50 0 IHAARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1C ZINC000009335971 132313963 /nfs/dbraw/zinc/31/39/63/132313963.db2.gz LCZROZGRIXSTKD-QGZVFWFLSA-N 0 0 437.569 3.746 50 0 IHAARN Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc12 ZINC000009348091 132314114 /nfs/dbraw/zinc/31/41/14/132314114.db2.gz ZRTOOMXGFWKKKE-UHFFFAOYSA-N 0 0 426.900 3.791 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)C2)cc1 ZINC000009405971 132315384 /nfs/dbraw/zinc/31/53/84/132315384.db2.gz KBPFHUYVNSRIFY-QUCCMNQESA-N 0 0 437.540 3.739 50 0 IHAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)c12 ZINC000009408536 132315973 /nfs/dbraw/zinc/31/59/73/132315973.db2.gz YELXYSSTTMBKTP-UHFFFAOYSA-N 0 0 434.588 3.788 50 0 IHAARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CC(=O)Nc2ccccc21 ZINC000009499249 132319590 /nfs/dbraw/zinc/31/95/90/132319590.db2.gz KELVEGCQQWWUGK-UHFFFAOYSA-N 0 0 445.298 3.577 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000009528778 132320581 /nfs/dbraw/zinc/32/05/81/132320581.db2.gz FMCHRHYBMGKQLL-SFHVURJKSA-N 0 0 444.329 3.699 50 0 IHAARN C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009549011 132321240 /nfs/dbraw/zinc/32/12/40/132321240.db2.gz MCSKGBFMFLDGRI-MRXNPFEDSA-N 0 0 447.988 3.904 50 0 IHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000009573240 132321969 /nfs/dbraw/zinc/32/19/69/132321969.db2.gz XMUUCKYZDGIASD-HXUWFJFHSA-N 0 0 431.540 3.953 50 0 IHAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009789335 132329015 /nfs/dbraw/zinc/32/90/15/132329015.db2.gz IWKKYHKQASADGU-CQSZACIVSA-N 0 0 445.570 3.699 50 0 IHAARN Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000010013231 132334013 /nfs/dbraw/zinc/33/40/13/132334013.db2.gz HZHJNGOVMLSSSJ-INIZCTEOSA-N 0 0 436.585 3.736 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2C)c4=O)cc1Cl ZINC000010104830 132334544 /nfs/dbraw/zinc/33/45/44/132334544.db2.gz WOHJKOHTTZICBD-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000010237426 132335138 /nfs/dbraw/zinc/33/51/38/132335138.db2.gz DXDUUFJFGPBFFN-UHFFFAOYSA-N 0 0 448.972 3.902 50 0 IHAARN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(C)cc32)ccc1Cl ZINC000010820716 132336526 /nfs/dbraw/zinc/33/65/26/132336526.db2.gz KDIINKCSOGPAHM-UHFFFAOYSA-N 0 0 430.888 3.969 50 0 IHAARN CC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(C)cc1 ZINC000011226131 132337628 /nfs/dbraw/zinc/33/76/28/132337628.db2.gz PKSFEXYWATWJGJ-KRWDZBQOSA-N 0 0 446.477 3.935 50 0 IHAARN C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000011230925 132337642 /nfs/dbraw/zinc/33/76/42/132337642.db2.gz BREOXDMFXKILSF-QUCCMNQESA-N 0 0 435.524 3.842 50 0 IHAARN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(OC(C)C)nc(C)n2)CC1 ZINC000011613245 132338299 /nfs/dbraw/zinc/33/82/99/132338299.db2.gz SDOGMEBWDLAKJC-UHFFFAOYSA-N 0 0 432.590 3.515 50 0 IHAARN Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)c(C)c1 ZINC000011695370 132338859 /nfs/dbraw/zinc/33/88/59/132338859.db2.gz GULBUAJLTWNVPF-UHFFFAOYSA-N 0 0 444.507 3.550 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)c1 ZINC000011782922 132339539 /nfs/dbraw/zinc/33/95/39/132339539.db2.gz UBMUTYUJNZVZLF-GOSISDBHSA-N 0 0 434.540 3.797 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000013040608 132343286 /nfs/dbraw/zinc/34/32/86/132343286.db2.gz SFDRNIZKXKQYNL-UHFFFAOYSA-N 0 0 447.576 3.777 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013058090 132343740 /nfs/dbraw/zinc/34/37/40/132343740.db2.gz MWDJYVWXXWXGIB-AWEZNQCLSA-N 0 0 438.881 3.854 50 0 IHAARN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014093487 132355939 /nfs/dbraw/zinc/35/59/39/132355939.db2.gz XAJNNGRZRDJOQX-OXJNMPFZSA-N 0 0 432.490 3.805 50 0 IHAARN CC(=O)c1ccc(N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)c(F)c1 ZINC000012514953 518351856 /nfs/dbraw/zinc/35/18/56/518351856.db2.gz RGDTWDCHDPRRID-UHFFFAOYSA-N 0 0 425.533 3.833 50 0 IHAARN CC(=O)c1ccc(OCc2cc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)no2)cc1 ZINC000012306768 518398492 /nfs/dbraw/zinc/39/84/92/518398492.db2.gz MXXQOXURDFEULC-NRFANRHFSA-N 0 0 435.480 3.673 50 0 IHAARN CC(C)(C)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000021633571 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CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000036728777 519820368 /nfs/dbraw/zinc/82/03/68/519820368.db2.gz LPIOSAOFELQBOB-INIZCTEOSA-N 0 0 439.331 3.675 50 0 IHAARN CC(C)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C2CC2)cc1 ZINC000012738735 519835636 /nfs/dbraw/zinc/83/56/36/519835636.db2.gz HILZEQRCCGRBLY-UHFFFAOYSA-N 0 0 443.613 3.740 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000012797407 519837551 /nfs/dbraw/zinc/83/75/51/519837551.db2.gz YCHVUHIILLJTRL-OAQYLSRUSA-N 0 0 432.542 3.523 50 0 IHAARN CC(C)c1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000020933254 519837853 /nfs/dbraw/zinc/83/78/53/519837853.db2.gz AMIHKYIENUWPLS-UHFFFAOYSA-N 0 0 435.505 3.802 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H](C(=O)N(C)C)C2 ZINC000065167135 519878664 /nfs/dbraw/zinc/87/86/64/519878664.db2.gz WTBFUQHEUXYSIG-HXUWFJFHSA-N 0 0 445.922 3.873 50 0 IHAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054351 519896839 /nfs/dbraw/zinc/89/68/39/519896839.db2.gz ISMRBGBYWFUZOP-MOPGFXCFSA-N 0 0 430.932 3.739 50 0 IHAARN CCN(C(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000021657117 519920675 /nfs/dbraw/zinc/92/06/75/519920675.db2.gz SAMFZEWFJGIHEV-UHFFFAOYSA-N 0 0 433.581 3.948 50 0 IHAARN CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc(=O)n21 ZINC000021796825 520051828 /nfs/dbraw/zinc/05/18/28/520051828.db2.gz GUTYFSMJBAKORG-UHFFFAOYSA-N 0 0 437.887 3.957 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)NCCc2cccs2)c2ccccc2c1=O ZINC000012853503 520139163 /nfs/dbraw/zinc/13/91/63/520139163.db2.gz BIUNHDIOIHKCHX-UHFFFAOYSA-N 0 0 441.553 3.554 50 0 IHAARN CCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)c1 ZINC000012771151 520240887 /nfs/dbraw/zinc/24/08/87/520240887.db2.gz YHALVXIRVFGFGR-UHFFFAOYSA-N 0 0 440.521 3.772 50 0 IHAARN CCCCN(C)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012281598 520395392 /nfs/dbraw/zinc/39/53/92/520395392.db2.gz KNCRVQNQPCUEAW-HXUWFJFHSA-N 0 0 445.604 3.742 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000035767744 520440115 /nfs/dbraw/zinc/44/01/15/520440115.db2.gz NBDHYKAQCBTZCP-JOCHJYFZSA-N 0 0 427.545 3.799 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000012300146 520462812 /nfs/dbraw/zinc/46/28/12/520462812.db2.gz DQTGFPRWRVCAJW-MRXNPFEDSA-N 0 0 429.604 3.604 50 0 IHAARN CC1(C)COC(c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)OC1 ZINC000012402437 520500638 /nfs/dbraw/zinc/50/06/38/520500638.db2.gz AAGQCWCULFPIEQ-UHFFFAOYSA-N 0 0 430.526 3.686 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991044 520508226 /nfs/dbraw/zinc/50/82/26/520508226.db2.gz KSHIIDUJMSHZSP-OAQYLSRUSA-N 0 0 427.932 3.985 50 0 IHAARN CCOC(=O)C1=C(CN2CCCCC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991392 520511734 /nfs/dbraw/zinc/51/17/34/520511734.db2.gz IVYRDPHHVBCBCK-GOSISDBHSA-N 0 0 426.344 3.993 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530943 520512663 /nfs/dbraw/zinc/51/26/63/520512663.db2.gz ZBQSSJLIMGTJJC-HYBUGGRVSA-N 0 0 449.551 3.746 50 0 IHAARN CCOC(=O)C1C(CNCc2ccccc2Cl)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412517 520519783 /nfs/dbraw/zinc/51/97/83/520519783.db2.gz BDAJASCCKRYGIS-NRFANRHFSA-N 0 0 427.932 3.918 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245312297 520564020 /nfs/dbraw/zinc/56/40/20/520564020.db2.gz SZVXYWDZONQOJK-ZVVDCOBXSA-N 0 0 431.536 3.835 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2cc(C)c(OC)c(C)c2)C3)CC1 ZINC000034899220 520572138 /nfs/dbraw/zinc/57/21/38/520572138.db2.gz GPECYRQDSSOVCU-LJQANCHMSA-N 0 0 439.556 3.654 50 0 IHAARN CCOc1cc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(Cl)c1OC ZINC000012781790 520618507 /nfs/dbraw/zinc/61/85/07/520618507.db2.gz AQARUYVQNHSPAZ-GLCJEOIMSA-N 0 0 444.959 3.950 50 0 IHAARN CCOC(=O)CCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928535 520623889 /nfs/dbraw/zinc/62/38/89/520623889.db2.gz YUNUPUGVMFZTSE-QHCPKHFHSA-N 0 0 441.553 3.813 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036049191 520665522 /nfs/dbraw/zinc/66/55/22/520665522.db2.gz HRMRASBWPGZQAK-WOJBJXKFSA-N 0 0 438.952 3.800 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012820639 520696010 /nfs/dbraw/zinc/69/60/10/520696010.db2.gz VOPTWWOJMHFPPJ-UHFFFAOYSA-N 0 0 441.347 3.788 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000035851990 520779970 /nfs/dbraw/zinc/77/99/70/520779970.db2.gz NKBFIPOZZNNWSJ-QGDZQMKYSA-N 0 0 438.568 3.775 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)ccc1O ZINC000020464014 520785747 /nfs/dbraw/zinc/78/57/47/520785747.db2.gz SXCCKNLMKFTHRG-MRXNPFEDSA-N 0 0 437.521 3.949 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 ZINC000032934424 520792071 /nfs/dbraw/zinc/79/20/71/520792071.db2.gz CBKKAKYPRQWGAL-YWZLYKJASA-N 0 0 441.503 3.861 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)NCCc1ccccc1)CC2 ZINC000021044200 520797306 /nfs/dbraw/zinc/79/73/06/520797306.db2.gz DKEKKJHPEZYCMO-OAQYLSRUSA-N 0 0 440.540 3.899 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1ccccc1C)CC2 ZINC000020920919 520797672 /nfs/dbraw/zinc/79/76/72/520797672.db2.gz QNNKOIHSTWRODV-LJQANCHMSA-N 0 0 447.553 3.644 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2cc(C)ccc2OC)c1 ZINC000012772193 520806158 /nfs/dbraw/zinc/80/61/58/520806158.db2.gz DALSBOCWNQWYFR-UKTHLTGXSA-N 0 0 432.542 3.695 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccccc3Cl)n2C)c1 ZINC000035560979 520815340 /nfs/dbraw/zinc/81/53/40/520815340.db2.gz NHJPCGSFYOMVJU-UHFFFAOYSA-N 0 0 433.961 3.792 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3ccccc3Cl)n2C)c1 ZINC000035561122 520815696 /nfs/dbraw/zinc/81/56/96/520815696.db2.gz PVIMPZHEKSDSJP-UHFFFAOYSA-N 0 0 447.988 3.835 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)COc3ccccc3)c2)NC(=O)N1C ZINC000035707597 520817193 /nfs/dbraw/zinc/81/71/93/520817193.db2.gz JNEYHCAVNRLAOQ-QFIPXVFZSA-N 0 0 437.496 3.626 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)o2)c1 ZINC000012821731 520819145 /nfs/dbraw/zinc/81/91/45/520819145.db2.gz VHRRPHGURXYKGL-PKNBQFBNSA-N 0 0 427.320 3.725 50 0 IHAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3cccs3)C2=O)cc1OC ZINC000012760599 520851925 /nfs/dbraw/zinc/85/19/25/520851925.db2.gz JKJQORUOFBYVCU-PDGQHHTCSA-N 0 0 446.550 3.551 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000020932201 520901693 /nfs/dbraw/zinc/90/16/93/520901693.db2.gz YBERYAAOLFFDHQ-IBGZPJMESA-N 0 0 446.931 3.848 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)CC1 ZINC000012311217 520949292 /nfs/dbraw/zinc/94/92/92/520949292.db2.gz NGWILXMBYASIRI-UHFFFAOYSA-N 0 0 449.507 3.833 50 0 IHAARN CCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742131 520955755 /nfs/dbraw/zinc/95/57/55/520955755.db2.gz IARSIGCNZQEYRO-FQEVSTJZSA-N 0 0 431.554 3.702 50 0 IHAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccccc1Cl ZINC000035981546 520967559 /nfs/dbraw/zinc/96/75/59/520967559.db2.gz FDQJNDAEMVOVMX-UKAYHFCDSA-N 0 0 427.932 3.799 50 0 IHAARN CCOc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)cc1 ZINC000021933654 520995288 /nfs/dbraw/zinc/99/52/88/520995288.db2.gz QITLTYPHJRTTOR-UHFFFAOYSA-N 0 0 432.524 3.566 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000018090776 521030610 /nfs/dbraw/zinc/03/06/10/521030610.db2.gz YSXXKXKKDXCYJK-UHFFFAOYSA-N 0 0 439.537 3.650 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)N3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000020562817 521033385 /nfs/dbraw/zinc/03/33/85/521033385.db2.gz ZBPFKDCGENMLIC-BGYRXZFFSA-N 0 0 445.629 3.957 50 0 IHAARN CCOc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccccc4Cl)o3)CC2=O)cc1 ZINC000033291101 521043966 /nfs/dbraw/zinc/04/39/66/521043966.db2.gz KSFQMISOVVQVCN-OAHLLOKOSA-N 0 0 440.887 3.823 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)n2C2CC2)CC1 ZINC000021700944 521050701 /nfs/dbraw/zinc/05/07/01/521050701.db2.gz YMAAADKGXXJMKG-SFHVURJKSA-N 0 0 427.574 3.581 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OCC)cc2)cc1 ZINC000017307903 521069322 /nfs/dbraw/zinc/06/93/22/521069322.db2.gz PWMKYFDSMXDABI-UHFFFAOYSA-N 0 0 439.541 3.958 50 0 IHAARN CCC(=O)N(CC)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1 ZINC000036049317 521087137 /nfs/dbraw/zinc/08/71/37/521087137.db2.gz YAOZXNXYDKYZPB-UHFFFAOYSA-N 0 0 436.512 3.754 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1S(=O)(=O)N(C)C ZINC000012777814 521106951 /nfs/dbraw/zinc/10/69/51/521106951.db2.gz VDIRYOQVCSBHTA-AWEZNQCLSA-N 0 0 440.949 3.703 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1S(=O)(=O)N(C)C ZINC000012935033 521114782 /nfs/dbraw/zinc/11/47/82/521114782.db2.gz RNKXLDVXXMISEF-UHFFFAOYSA-N 0 0 445.541 3.648 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 ZINC000015783897 521202442 /nfs/dbraw/zinc/20/24/42/521202442.db2.gz FJXAEODSFWVSRW-UHFFFAOYSA-N 0 0 442.566 3.686 50 0 IHAARN CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)c2ccc(Br)cc2)s1 ZINC000035924544 521238428 /nfs/dbraw/zinc/23/84/28/521238428.db2.gz FMBZIMZICZVYGR-NSHDSACASA-N 0 0 430.349 3.987 50 0 IHAARN CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000035924540 521239234 /nfs/dbraw/zinc/23/92/34/521239234.db2.gz ZPXCVJLEZBPYHJ-NSHDSACASA-N 0 0 430.349 3.987 50 0 IHAARN CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009647873 521267291 /nfs/dbraw/zinc/26/72/91/521267291.db2.gz KUOKDORSPKMTFJ-AWEZNQCLSA-N 0 0 425.514 3.853 50 0 IHAARN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCC(O)CC4)cc3)CC2=O)cc1 ZINC000032913506 521275899 /nfs/dbraw/zinc/27/58/99/521275899.db2.gz RVXKHJFZSRNAJN-HXUWFJFHSA-N 0 0 435.568 3.982 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2ncnc3c2sc2cccc(F)c23)C1 ZINC000021153376 521289235 /nfs/dbraw/zinc/28/92/35/521289235.db2.gz RCLPKDSQYIBEIO-LBPRGKRZSA-N 0 0 433.530 3.877 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000022853409 521301092 /nfs/dbraw/zinc/30/10/92/521301092.db2.gz BSKKTIHAIIMXPA-WMZOPIPTSA-N 0 0 428.558 3.732 50 0 IHAARN CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 ZINC000021785372 521326745 /nfs/dbraw/zinc/32/67/45/521326745.db2.gz ALNOBRMQGOWECO-INIZCTEOSA-N 0 0 425.558 3.700 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012917813 521342832 /nfs/dbraw/zinc/34/28/32/521342832.db2.gz JXORERQYFSIENS-UHFFFAOYSA-N 0 0 440.515 3.540 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccc(Br)s2)n1 ZINC000021189694 521343396 /nfs/dbraw/zinc/34/33/96/521343396.db2.gz KPXVRPGSHJOVKY-UHFFFAOYSA-N 0 0 430.393 3.687 50 0 IHAARN CCOc1cccc(CNC(=O)CCc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 ZINC000033262355 521348419 /nfs/dbraw/zinc/34/84/19/521348419.db2.gz ITIUWCJVEKLVIU-UHFFFAOYSA-N 0 0 440.507 3.692 50 0 IHAARN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000012706939 521353846 /nfs/dbraw/zinc/35/38/46/521353846.db2.gz XUMGPXSFRLQSTP-XVMYRHOCSA-N 0 0 445.519 3.812 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccccc2C(=O)OC)C1 ZINC000012372968 521358340 /nfs/dbraw/zinc/35/83/40/521358340.db2.gz BHMAZXOLKYJWLU-DEOSSOPVSA-N 0 0 427.472 3.641 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccccn2)C(=O)C2CCCC2)c1C ZINC000036004403 521364814 /nfs/dbraw/zinc/36/48/14/521364814.db2.gz IKWPNKSXTFWQTO-KRWDZBQOSA-N 0 0 425.529 3.993 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CC)S(=O)(=O)c2ccc(C)cc2)c(C)n1CC ZINC000036027543 521388189 /nfs/dbraw/zinc/38/81/89/521388189.db2.gz KKTDHCKECDZCEY-SFHVURJKSA-N 0 0 448.585 3.892 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O ZINC000012111353 521391060 /nfs/dbraw/zinc/39/10/60/521391060.db2.gz QKXBTWOEQXPGJY-UHFFFAOYSA-N 0 0 431.901 3.993 50 0 IHAARN CCCc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C(C)C)cc1 ZINC000013007379 521418874 /nfs/dbraw/zinc/41/88/74/521418874.db2.gz INUUHWVHTHRCPW-HSZRJFAPSA-N 0 0 445.629 3.892 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 ZINC000012599333 521454332 /nfs/dbraw/zinc/45/43/32/521454332.db2.gz ONZVEURFXPJSJA-UHFFFAOYSA-N 0 0 441.553 3.933 50 0 IHAARN CCOc1ccccc1N(C)C(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574657 521508532 /nfs/dbraw/zinc/50/85/32/521508532.db2.gz UPEFNMGPHNHYNA-UHFFFAOYSA-N 0 0 436.443 3.642 50 0 IHAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCCOC)o2)n1 ZINC000036038803 521515975 /nfs/dbraw/zinc/51/59/75/521515975.db2.gz XFDAEGCIWSNBBP-UHFFFAOYSA-N 0 0 432.468 3.603 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2nc(-c3ccccc3Cl)nn2c(=O)cc1C ZINC000021802715 521535270 /nfs/dbraw/zinc/53/52/70/521535270.db2.gz BIXBPHKFSTWVRB-UHFFFAOYSA-N 0 0 437.887 3.557 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(-c3ccccc3)c2c1=O ZINC000012228889 521535280 /nfs/dbraw/zinc/53/52/80/521535280.db2.gz FFFKMVMEYNAQPD-UHFFFAOYSA-N 0 0 431.496 3.743 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1C)CCN(Cc1ccccc1)C2 ZINC000035457131 521539233 /nfs/dbraw/zinc/53/92/33/521539233.db2.gz LUSXNHKGKVIINA-UHFFFAOYSA-N 0 0 448.542 3.840 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000012411179 521551252 /nfs/dbraw/zinc/55/12/52/521551252.db2.gz UZVYFXHISHHWFO-UHFFFAOYSA-N 0 0 443.550 3.771 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000020445823 521573843 /nfs/dbraw/zinc/57/38/43/521573843.db2.gz CCLCBAAPVWSORI-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN CCCn1c(CSC(=S)N(CC)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000020681830 521630651 /nfs/dbraw/zinc/63/06/51/521630651.db2.gz IERAMKPCJPRBLD-UHFFFAOYSA-N 0 0 428.649 3.557 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015586713 521639793 /nfs/dbraw/zinc/63/97/93/521639793.db2.gz KYYKOCGMVQQLTD-MRXNPFEDSA-N 0 0 444.532 3.625 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000014626161 521640456 /nfs/dbraw/zinc/64/04/56/521640456.db2.gz PIOUHRXISJYWBR-UHFFFAOYSA-N 0 0 444.557 3.784 50 0 IHAARN CCCn1cnc2cc(-c3noc([C@@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453571 521663314 /nfs/dbraw/zinc/66/33/14/521663314.db2.gz LFKPHVQCAQXILL-OAHLLOKOSA-N 0 0 425.514 3.844 50 0 IHAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000033122754 521684425 /nfs/dbraw/zinc/68/44/25/521684425.db2.gz MKHDJUCTUWMUCP-KRWDZBQOSA-N 0 0 440.525 3.636 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(C(=O)Nc2ccccc2OC)C(C)C)ccc1OC ZINC000035770479 521686361 /nfs/dbraw/zinc/68/63/61/521686361.db2.gz XRILRJJUGFXNBO-UHFFFAOYSA-N 0 0 436.530 3.875 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1CCCc1ccccc1 ZINC000012301641 521694673 /nfs/dbraw/zinc/69/46/73/521694673.db2.gz XWTXALRQVHTNPA-UHFFFAOYSA-N 0 0 433.618 3.558 50 0 IHAARN CCCN(Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012516792 521696555 /nfs/dbraw/zinc/69/65/55/521696555.db2.gz VECGAYHHTYNVAP-KRWDZBQOSA-N 0 0 432.571 3.520 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000034927944 521703346 /nfs/dbraw/zinc/70/33/46/521703346.db2.gz CXIVQDZYGLVXLZ-RPWUZVMVSA-N 0 0 443.503 3.817 50 0 IHAARN CCOCCCN(C(=O)c1cccs1)[C@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C ZINC000036018282 521704163 /nfs/dbraw/zinc/70/41/63/521704163.db2.gz NPDZFVXXAZNXMN-MRXNPFEDSA-N 0 0 434.558 3.630 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000035945970 521739082 /nfs/dbraw/zinc/73/90/82/521739082.db2.gz NFHQKABYNPEECC-HXUWFJFHSA-N 0 0 428.920 3.688 50 0 IHAARN CCc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000020995629 521753287 /nfs/dbraw/zinc/75/32/87/521753287.db2.gz BCECFNOUYMTKTG-INIZCTEOSA-N 0 0 440.565 3.739 50 0 IHAARN CCc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c1 ZINC000020582737 521753907 /nfs/dbraw/zinc/75/39/07/521753907.db2.gz RFMGBRAMKCTFQK-UHFFFAOYSA-N 0 0 440.550 3.575 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563432 521849814 /nfs/dbraw/zinc/84/98/14/521849814.db2.gz BDXBGPKOGPYSFP-FQEVSTJZSA-N 0 0 433.487 3.606 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563409 521851868 /nfs/dbraw/zinc/85/18/68/521851868.db2.gz QZZZZHBGWBBOLU-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN COC(=O)c1cc(CNC(=O)c2ccc3ccccc3n2)cc(NC(=O)c2ccoc2)c1 ZINC000015000186 521854876 /nfs/dbraw/zinc/85/48/76/521854876.db2.gz QSZRNUMMYCJDAG-UHFFFAOYSA-N 0 0 429.432 3.797 50 0 IHAARN CC[C@@H](C(=O)NCc1ccccc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563452 521855047 /nfs/dbraw/zinc/85/50/47/521855047.db2.gz ZWZCJIIQKYYDHT-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008862235 521871290 /nfs/dbraw/zinc/87/12/90/521871290.db2.gz FAKYWHKDKLZWMP-UHFFFAOYSA-N 0 0 428.492 3.844 50 0 IHAARN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c3ccccc32)ccc1N1CCOCC1 ZINC000001029367 521896251 /nfs/dbraw/zinc/89/62/51/521896251.db2.gz JZJWCFBUSSQXPY-UHFFFAOYSA-N 0 0 440.521 3.572 50 0 IHAARN COc1cc(-c2ncc(C(=O)N3CCCC3)c(N3CCC(C)CC3)n2)cc(OC)c1OC ZINC000035987903 521906667 /nfs/dbraw/zinc/90/66/67/521906667.db2.gz XGIAXYKEZJJCQC-UHFFFAOYSA-N 0 0 440.544 3.642 50 0 IHAARN COc1cc(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3)o2)cc(OC)c1OC ZINC000022807964 521909598 /nfs/dbraw/zinc/90/95/98/521909598.db2.gz ZTBXYSRHIMAPIP-UHFFFAOYSA-N 0 0 427.457 3.903 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000012608757 521982913 /nfs/dbraw/zinc/98/29/13/521982913.db2.gz KIWRCMZTEOKRGR-HXUWFJFHSA-N 0 0 429.929 3.505 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 ZINC000012792276 521985221 /nfs/dbraw/zinc/98/52/21/521985221.db2.gz PBCDNAZALOPDAZ-UHFFFAOYSA-N 0 0 436.493 3.635 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 ZINC000012618504 521998375 /nfs/dbraw/zinc/99/83/75/521998375.db2.gz HEJKJQYUQMUTSU-UHFFFAOYSA-N 0 0 428.510 3.579 50 0 IHAARN COC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000012867721 521998258 /nfs/dbraw/zinc/99/82/58/521998258.db2.gz JYJKVHDYSLSTNH-UHFFFAOYSA-N 0 0 433.508 3.572 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1 ZINC000021130605 522024692 /nfs/dbraw/zinc/02/46/92/522024692.db2.gz QDOGLDWTYVEIBT-UHFFFAOYSA-N 0 0 449.301 3.854 50 0 IHAARN CC[C@H](C)c1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 ZINC000012849984 522042288 /nfs/dbraw/zinc/04/22/88/522042288.db2.gz SNUDUYDCVXPRNM-GAJHUEQPSA-N 0 0 435.576 3.763 50 0 IHAARN COCCn1c(C)cc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)c1C ZINC000035510795 522063200 /nfs/dbraw/zinc/06/32/00/522063200.db2.gz UJSKTQXOJKAUEO-UHFFFAOYSA-N 0 0 431.540 3.783 50 0 IHAARN COCCn1c(CN2CCCC[C@H]2c2nccs2)cnc1S(=O)(=O)CC(C)(C)C ZINC000012306326 522068332 /nfs/dbraw/zinc/06/83/32/522068332.db2.gz JSTPLPPTIKYDRR-KRWDZBQOSA-N 0 0 440.635 3.533 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1C(=O)OC ZINC000078935474 522123502 /nfs/dbraw/zinc/12/35/02/522123502.db2.gz RPHFLLOTTSGYJR-UHFFFAOYSA-N 0 0 438.461 3.826 50 0 IHAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCCCSC)c21 ZINC000012165062 522138872 /nfs/dbraw/zinc/13/88/72/522138872.db2.gz VOIVWRBPHXEBTL-UHFFFAOYSA-N 0 0 432.590 3.684 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000021156599 522280065 /nfs/dbraw/zinc/28/00/65/522280065.db2.gz PHCBXNHPQLVAFO-UHFFFAOYSA-N 0 0 444.447 3.704 50 0 IHAARN COC(=O)c1ccoc1COC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023508821 522302859 /nfs/dbraw/zinc/30/28/59/522302859.db2.gz MJPRAHOKSSYYGQ-UHFFFAOYSA-N 0 0 439.386 3.681 50 0 IHAARN CCc1nc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cs1 ZINC000012596769 522370290 /nfs/dbraw/zinc/37/02/90/522370290.db2.gz GSDNOYAHAGNHLM-UHFFFAOYSA-N 0 0 428.587 3.876 50 0 IHAARN COc1cc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc(OC)c1 ZINC000035404412 522411601 /nfs/dbraw/zinc/41/16/01/522411601.db2.gz RIXKIBVXTDEUTI-UHFFFAOYSA-N 0 0 446.551 3.603 50 0 IHAARN CC[C@@H](C)c1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1 ZINC000021464506 522426596 /nfs/dbraw/zinc/42/65/96/522426596.db2.gz GVIMOFAFZZCNRK-OAHLLOKOSA-N 0 0 436.537 3.543 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012729844 522449696 /nfs/dbraw/zinc/44/96/96/522449696.db2.gz DVVIRLULJOYNHY-UHFFFAOYSA-N 0 0 442.946 3.615 50 0 IHAARN COC[C@@H]1CCCN(C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)C1 ZINC000011871792 522452094 /nfs/dbraw/zinc/45/20/94/522452094.db2.gz SBPMZDQYLVOSAL-OAQYLSRUSA-N 0 0 446.551 3.861 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)NCCCCCc1nc(-c2ccc(C)cc2)no1 ZINC000012746544 522452370 /nfs/dbraw/zinc/45/23/70/522452370.db2.gz KPLCTMUYTVSXGR-UHFFFAOYSA-N 0 0 449.554 3.584 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000035990264 522468068 /nfs/dbraw/zinc/46/80/68/522468068.db2.gz XZSMRAQJQWUOMM-UHFFFAOYSA-N 0 0 438.963 3.788 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000036001938 522469154 /nfs/dbraw/zinc/46/91/54/522469154.db2.gz ZTMSGNWZTBXFJU-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854041 522537439 /nfs/dbraw/zinc/53/74/39/522537439.db2.gz DHZVWPRUDCMESC-INIZCTEOSA-N 0 0 434.949 3.641 50 0 IHAARN COc1cc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc(OC)c1 ZINC000021099592 522702206 /nfs/dbraw/zinc/70/22/06/522702206.db2.gz QSJSFEBOIDFGGJ-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(OC)cc1Cl ZINC000021196973 522714214 /nfs/dbraw/zinc/71/42/14/522714214.db2.gz PADOWBGNZPIPRK-VBQJREDUSA-N 0 0 434.920 3.662 50 0 IHAARN CNc1nnc(SCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)s1 ZINC000012745278 522721840 /nfs/dbraw/zinc/72/18/40/522721840.db2.gz VFZPYNHUDGLSHA-UHFFFAOYSA-N 0 0 444.582 3.918 50 0 IHAARN COc1cc(OC)c(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)cc1Cl ZINC000020848807 522783482 /nfs/dbraw/zinc/78/34/82/522783482.db2.gz OSPGQNSJVGXJAG-UHFFFAOYSA-N 0 0 446.876 3.610 50 0 IHAARN COc1cc(O)ccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000021784782 522784621 /nfs/dbraw/zinc/78/46/21/522784621.db2.gz JCKAPABMCXOMSS-AWEZNQCLSA-N 0 0 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ZINC000012775315 522869058 /nfs/dbraw/zinc/86/90/58/522869058.db2.gz FJURMUWPNYVGEU-IBGZPJMESA-N 0 0 432.448 3.619 50 0 IHAARN COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000012561843 522871851 /nfs/dbraw/zinc/87/18/51/522871851.db2.gz OYSQRHWMCQGCHP-SFHVURJKSA-N 0 0 428.510 3.595 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1C ZINC000041105573 522894294 /nfs/dbraw/zinc/89/42/94/522894294.db2.gz RDNLOBYFYIIHMX-UHFFFAOYSA-N 0 0 445.368 3.830 50 0 IHAARN COc1cc([C@@H](CC(=O)NC2CCCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561450 522913205 /nfs/dbraw/zinc/91/32/05/522913205.db2.gz BOWONIGDABSZCX-HXUWFJFHSA-N 0 0 438.524 3.858 50 0 IHAARN CN(CCc1noc(C(=O)NCc2ccc(Cl)cc2)n1)C(=O)Nc1cc(F)ccc1F ZINC000033273376 523000307 /nfs/dbraw/zinc/00/03/07/523000307.db2.gz ZSKNMXUBIVBPIX-UHFFFAOYSA-N 0 0 449.845 3.638 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccccc3F)co1)CC2 ZINC000044890361 523028405 /nfs/dbraw/zinc/02/84/05/523028405.db2.gz 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CCn1c(C)c(C(=O)[C@H](C)N(CC(C)C)S(=O)(=O)c2ccccc2)c(C)c1C(=O)OC ZINC000036025779 523122521 /nfs/dbraw/zinc/12/25/21/523122521.db2.gz MLPBOLUOXBCHCG-SFHVURJKSA-N 0 0 448.585 3.830 50 0 IHAARN CCn1c(C)c(C(=O)[C@H](C)N(CCOC)C(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036025201 523123049 /nfs/dbraw/zinc/12/30/49/523123049.db2.gz HPMKVKODYBHDMN-SFHVURJKSA-N 0 0 428.529 3.580 50 0 IHAARN CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O ZINC000022696988 523140717 /nfs/dbraw/zinc/14/07/17/523140717.db2.gz IJOSRYPNQLHYJV-QHCPKHFHSA-N 0 0 438.959 3.842 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000024651948 523147755 /nfs/dbraw/zinc/14/77/55/523147755.db2.gz XNBHPSRWCMEKCZ-FCHUYYIVSA-N 0 0 430.504 3.846 50 0 IHAARN COc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)cc1 ZINC000012933866 523168513 /nfs/dbraw/zinc/16/85/13/523168513.db2.gz XJXIJBHPSBMVDJ-UHFFFAOYSA-N 0 0 426.523 3.846 50 0 IHAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012556125 523176617 /nfs/dbraw/zinc/17/66/17/523176617.db2.gz DSDOSLZVGVYSIU-UHFFFAOYSA-N 0 0 443.960 3.618 50 0 IHAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020677213 523192025 /nfs/dbraw/zinc/19/20/25/523192025.db2.gz VOWOTMCMVOQBJA-UHFFFAOYSA-N 0 0 439.947 3.626 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCC(c4nnc5ccccn54)CC3)cs2)cc1 ZINC000012391308 523196292 /nfs/dbraw/zinc/19/62/92/523196292.db2.gz AYNSVVHRMKTJFD-UHFFFAOYSA-N 0 0 433.537 3.810 50 0 IHAARN COc1ccc(-c2nc3sc(CCNS(=O)(=O)c4ccc(C)cc4)c(C)n3n2)cc1 ZINC000015823551 523234404 /nfs/dbraw/zinc/23/44/04/523234404.db2.gz FQEIDDRJTFSGMM-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N3)cc1 ZINC000020745966 523235359 /nfs/dbraw/zinc/23/53/59/523235359.db2.gz IUKZJWAACVPHFZ-AWEZNQCLSA-N 0 0 432.267 3.783 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)/C=C/c4ccc5c(c4)OCO5)n3n2)cc1 ZINC000016954865 523236152 /nfs/dbraw/zinc/23/61/52/523236152.db2.gz DXQSPTNGPUWYJY-YCRREMRBSA-N 0 0 448.504 3.567 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000020945536 523311221 /nfs/dbraw/zinc/31/12/21/523311221.db2.gz LWPWIQGMWCQIPO-GOSISDBHSA-N 0 0 441.459 3.555 50 0 IHAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc(OC)c4OC)cc3c2=O)cc1 ZINC000022498672 523315042 /nfs/dbraw/zinc/31/50/42/523315042.db2.gz DJYTYCJKGJWVTA-UHFFFAOYSA-N 0 0 445.475 3.972 50 0 IHAARN CO[C@@H](C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccsc2)C1)c1ccccc1 ZINC000012185233 523318753 /nfs/dbraw/zinc/31/87/53/523318753.db2.gz WJXXZNGHLWSFPO-JOCHJYFZSA-N 0 0 435.549 3.654 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccs1 ZINC000012883458 523338777 /nfs/dbraw/zinc/33/87/77/523338777.db2.gz AVVPSAAQHRJAFK-IBGZPJMESA-N 0 0 448.500 3.579 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1 ZINC000020804691 523343645 /nfs/dbraw/zinc/34/36/45/523343645.db2.gz DLUZTQVKEBCJCV-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000012536041 523348112 /nfs/dbraw/zinc/34/81/12/523348112.db2.gz HJRQUJSHTHESHR-WUKNDPDISA-N 0 0 442.562 3.920 50 0 IHAARN COc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000020728528 523353592 /nfs/dbraw/zinc/35/35/92/523353592.db2.gz CXQKESBJQKLVMM-FQEVSTJZSA-N 0 0 439.269 3.873 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)Oc3cccc(C)c3)C2=O)cc1 ZINC000035374469 523414301 /nfs/dbraw/zinc/41/43/01/523414301.db2.gz UPBKVKUNLGTEIQ-RZKQZQCBSA-N 0 0 440.521 3.624 50 0 IHAARN COCCCn1c(CN2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)cnc1S(C)(=O)=O ZINC000020995484 523499174 /nfs/dbraw/zinc/49/91/74/523499174.db2.gz YQYFLSMMCKOPQG-QFIPXVFZSA-N 0 0 444.601 3.560 50 0 IHAARN CN(Cc1cnn(C)c1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012438522 523517148 /nfs/dbraw/zinc/51/71/48/523517148.db2.gz OJZNWQJSHTXUBG-UHFFFAOYSA-N 0 0 448.958 3.552 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(SCc2ccccc2)ncc1Cl ZINC000041097725 523596744 /nfs/dbraw/zinc/59/67/44/523596744.db2.gz HFAPDKHBEIBRAF-GOSISDBHSA-N 0 0 441.940 3.936 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(F)cc2)cc1 ZINC000020817506 523649069 /nfs/dbraw/zinc/64/90/69/523649069.db2.gz SNFPSZVQBYNNBP-UHFFFAOYSA-N 0 0 429.469 3.887 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(C)=O ZINC000035962045 523653523 /nfs/dbraw/zinc/65/35/23/523653523.db2.gz UJYJCSNJMOHBSF-QFIPXVFZSA-N 0 0 443.931 3.521 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)C(C)C ZINC000035948418 523653584 /nfs/dbraw/zinc/65/35/84/523653584.db2.gz ANFHJFCITQBDDJ-LJQANCHMSA-N 0 0 443.569 3.565 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)C(C)C ZINC000035946731 523655558 /nfs/dbraw/zinc/65/55/58/523655558.db2.gz OTTJCIDCICYQPQ-IBGZPJMESA-N 0 0 431.533 3.696 50 0 IHAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000035891153 523711184 /nfs/dbraw/zinc/71/11/84/523711184.db2.gz VXEQNEDJQUWAFW-UHFFFAOYSA-N 0 0 436.581 3.834 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1Br ZINC000012352253 523713534 /nfs/dbraw/zinc/71/35/34/523713534.db2.gz OVFCFQYNTAZHLZ-UHFFFAOYSA-N 0 0 444.314 3.554 50 0 IHAARN COc1ccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)cc1S(=O)(=O)NC(C)C ZINC000021306423 523770354 /nfs/dbraw/zinc/77/03/54/523770354.db2.gz LEVMHMLXFMRWDO-UHFFFAOYSA-N 0 0 447.553 3.867 50 0 IHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)CC(C)C ZINC000036030073 523773374 /nfs/dbraw/zinc/77/33/74/523773374.db2.gz ALBDWXAZZRHJLD-UHFFFAOYSA-N 0 0 449.617 3.534 50 0 IHAARN CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCCc2ccccc21 ZINC000023151300 523792336 /nfs/dbraw/zinc/79/23/36/523792336.db2.gz OCGJDCAGBGQSRC-OAQYLSRUSA-N 0 0 430.545 3.762 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000012900890 523799914 /nfs/dbraw/zinc/79/99/14/523799914.db2.gz GJSYKACGUAMGLC-ZDUSSCGKSA-N 0 0 441.340 3.818 50 0 IHAARN CN1CCCN(C(=O)c2cccc(NC(=O)c3ccncc3)c2)c2nc3ccccc3nc21 ZINC000012929743 523805291 /nfs/dbraw/zinc/80/52/91/523805291.db2.gz PQOLZTUSLXNOBC-UHFFFAOYSA-N 0 0 438.491 3.764 50 0 IHAARN CC[C@H](C(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1)c1ccccc1 ZINC000020486650 523806178 /nfs/dbraw/zinc/80/61/78/523806178.db2.gz NAKGYDKHEKIYOS-KRWDZBQOSA-N 0 0 430.555 3.886 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000021782967 523808139 /nfs/dbraw/zinc/80/81/39/523808139.db2.gz KBABHXNFKVCFIB-QHCPKHFHSA-N 0 0 437.496 3.608 50 0 IHAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCCN5CCOCC5)cc4sc3n2)cc1 ZINC000020490337 523857341 /nfs/dbraw/zinc/85/73/41/523857341.db2.gz IFKPGIDDYBEWJA-UHFFFAOYSA-N 0 0 434.565 3.840 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036026618 523879939 /nfs/dbraw/zinc/87/99/39/523879939.db2.gz LMJYTIOXZYCGTN-GBXCKJPGSA-N 0 0 449.595 3.717 50 0 IHAARN CN1CCN(CC(=O)N2CCC(=C3c4ccccc4CSc4ccccc43)CC2)CC1 ZINC000022574459 523892809 /nfs/dbraw/zinc/89/28/09/523892809.db2.gz WYJLYBGOOVIODH-UHFFFAOYSA-N 0 0 433.621 3.964 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 ZINC000020726215 523909800 /nfs/dbraw/zinc/90/98/00/523909800.db2.gz PCJJBHSNLVWRKG-FPOVZHCZSA-N 0 0 438.915 3.505 50 0 IHAARN CCc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020581522 523963224 /nfs/dbraw/zinc/96/32/24/523963224.db2.gz ZPUATEUBZLICQA-RTBURBONSA-N 0 0 438.471 3.876 50 0 IHAARN COCCNc1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)s1 ZINC000012756394 523966604 /nfs/dbraw/zinc/96/66/04/523966604.db2.gz JPDQSPYNAQHCAL-UHFFFAOYSA-N 0 0 446.602 3.810 50 0 IHAARN CCc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)cc1 ZINC000022714862 523973209 /nfs/dbraw/zinc/97/32/09/523973209.db2.gz MAGMDCGWTDUSDF-UHFFFAOYSA-N 0 0 432.524 3.516 50 0 IHAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000015827262 523973293 /nfs/dbraw/zinc/97/32/93/523973293.db2.gz SKRLCDOGSMKLET-INIZCTEOSA-N 0 0 429.542 3.860 50 0 IHAARN COc1ccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)c(OC)c1 ZINC000012886943 523994263 /nfs/dbraw/zinc/99/42/63/523994263.db2.gz PKSCHYPZUWQAEV-UHFFFAOYSA-N 0 0 432.929 3.960 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000012521149 524000171 /nfs/dbraw/zinc/00/01/71/524000171.db2.gz WSNFLROMLSBBDC-UHFFFAOYSA-N 0 0 440.521 3.777 50 0 IHAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000021785478 524024263 /nfs/dbraw/zinc/02/42/63/524024263.db2.gz FHEXZFRRSBUYSE-NSHDSACASA-N 0 0 440.502 3.886 50 0 IHAARN COc1ccc(CN2Cc3cc(NC(=O)Cc4ccccc4)ccc3OCC2=O)c(OC)c1 ZINC000035909851 524042634 /nfs/dbraw/zinc/04/26/34/524042634.db2.gz KXKQBNDTRMOCLZ-UHFFFAOYSA-N 0 0 446.503 3.806 50 0 IHAARN COc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000035529032 524046900 /nfs/dbraw/zinc/04/69/00/524046900.db2.gz PHXUASPOVFJCEJ-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000012432243 524048080 /nfs/dbraw/zinc/04/80/80/524048080.db2.gz LTVBMPZFDKRNJM-SFHVURJKSA-N 0 0 436.556 3.889 50 0 IHAARN COc1ccc(CNC(=O)CCn2nc(-c3ccc(C(C)C)cc3)ccc2=O)c(OC)c1 ZINC000041255214 524048863 /nfs/dbraw/zinc/04/88/63/524048863.db2.gz RATISFJDXUTSJO-UHFFFAOYSA-N 0 0 435.524 3.757 50 0 IHAARN COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015390998 524054528 /nfs/dbraw/zinc/05/45/28/524054528.db2.gz YOGYPJJBTSDZPB-GOSISDBHSA-N 0 0 436.961 3.598 50 0 IHAARN COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000022606408 524057585 /nfs/dbraw/zinc/05/75/85/524057585.db2.gz YVQXTLJMWSSCNZ-UHFFFAOYSA-N 0 0 428.583 3.908 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 ZINC000020722117 524062375 /nfs/dbraw/zinc/06/23/75/524062375.db2.gz ZTHFAPVUEPWEKO-DEOSSOPVSA-N 0 0 443.503 3.973 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831132 524088538 /nfs/dbraw/zinc/08/85/38/524088538.db2.gz KGBCVIRPZPMSAS-KRWDZBQOSA-N 0 0 445.924 3.584 50 0 IHAARN COc1ccc(CNc2nc(=O)n(CC(=O)Nc3cccc(OC)c3)c3ccccc23)cc1 ZINC000021361184 524105184 /nfs/dbraw/zinc/10/51/84/524105184.db2.gz QKHVJGKVCRGMPT-UHFFFAOYSA-N 0 0 444.491 3.665 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 ZINC000016016588 524105112 /nfs/dbraw/zinc/10/51/12/524105112.db2.gz QYHUYHTYQNBSJQ-ZDUSSCGKSA-N 0 0 438.347 3.517 50 0 IHAARN COc1ccc(COC[C@@H](O)CSc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000012554883 524116682 /nfs/dbraw/zinc/11/66/82/524116682.db2.gz VGXIRQQVYNKXIY-CQSZACIVSA-N 0 0 431.583 3.831 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054391 524117734 /nfs/dbraw/zinc/11/77/34/524117734.db2.gz LKUMHUIHKRHRLC-LEWJYISDSA-N 0 0 442.531 3.747 50 0 IHAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)cc1 ZINC000035481293 524119265 /nfs/dbraw/zinc/11/92/65/524119265.db2.gz LXGGKUYPGXLHED-UHFFFAOYSA-N 0 0 433.508 3.883 50 0 IHAARN COc1cccc([C@@H]2[C@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928091 524133919 /nfs/dbraw/zinc/13/39/19/524133919.db2.gz QPOQPOLELZNTNO-DNQXCXABSA-N 0 0 427.504 3.850 50 0 IHAARN COc1ccc(C[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2ccc(OC)cc2)cc1 ZINC000022099251 524140211 /nfs/dbraw/zinc/14/02/11/524140211.db2.gz OONRMBZHZQNVCD-XMMPIXPASA-N 0 0 447.535 3.649 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCCC2)O3)c1 ZINC000020603038 524161031 /nfs/dbraw/zinc/16/10/31/524161031.db2.gz HCKBJPACJMNRMA-QFIPXVFZSA-N 0 0 444.553 3.647 50 0 IHAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ncccc5C)c4ncn3n2)cc1OC ZINC000021801609 524163492 /nfs/dbraw/zinc/16/34/92/524163492.db2.gz XWCFEYVSRBMZFA-UHFFFAOYSA-N 0 0 428.496 3.996 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012769139 524165771 /nfs/dbraw/zinc/16/57/71/524165771.db2.gz WJCBDDLUXNNNMU-RDTXWAMCSA-N 0 0 448.507 3.681 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000035479558 524185515 /nfs/dbraw/zinc/18/55/15/524185515.db2.gz GUABFMQAAQHCFG-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000033113869 524210694 /nfs/dbraw/zinc/21/06/94/524210694.db2.gz WPXHBDRTVSEXDA-MRXNPFEDSA-N 0 0 433.508 3.701 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2 ZINC000020556674 524233419 /nfs/dbraw/zinc/23/34/19/524233419.db2.gz YQJYGWZYKRLKIE-UHFFFAOYSA-N 0 0 447.322 3.945 50 0 IHAARN COc1cccc2cc(-c3nnc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)o3)oc21 ZINC000022677373 524254442 /nfs/dbraw/zinc/25/44/42/524254442.db2.gz TZAUSTMFPASPFH-ZDUSSCGKSA-N 0 0 436.399 3.622 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)c(C)c1 ZINC000020486038 524278458 /nfs/dbraw/zinc/27/84/58/524278458.db2.gz XQFKJIXDGBZVOY-HSZRJFAPSA-N 0 0 428.536 3.866 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 ZINC000022906799 524279066 /nfs/dbraw/zinc/27/90/66/524279066.db2.gz QSKWPXWCHFGQAI-XMMPIXPASA-N 0 0 442.563 3.861 50 0 IHAARN COc1ccc(F)cc1COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 ZINC000012817724 524318076 /nfs/dbraw/zinc/31/80/76/524318076.db2.gz IBZDEFLZVFGBPG-GFCCVEGCSA-N 0 0 437.851 3.601 50 0 IHAARN COc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)CC(C)C ZINC000035766910 524337677 /nfs/dbraw/zinc/33/76/77/524337677.db2.gz KCTAGTHULLTUNB-FQEVSTJZSA-N 0 0 428.529 3.594 50 0 IHAARN Cc1cc(C)cc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCOCC3)no2)c1 ZINC000035460432 524354495 /nfs/dbraw/zinc/35/44/95/524354495.db2.gz JFFICJLZLMOBNF-UHFFFAOYSA-N 0 0 431.496 3.619 50 0 IHAARN COc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167126 524366402 /nfs/dbraw/zinc/36/64/02/524366402.db2.gz JQQPARHWKJALME-ROUUACIJSA-N 0 0 440.949 3.763 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000018096041 524397304 /nfs/dbraw/zinc/39/73/04/524397304.db2.gz DWVUYDLNFHGLKI-MYGLTJDJSA-N 0 0 430.504 3.700 50 0 IHAARN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000041156982 524440658 /nfs/dbraw/zinc/44/06/58/524440658.db2.gz REYKZMAIGIRVBK-LJQANCHMSA-N 0 0 439.537 3.544 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000012775121 524459881 /nfs/dbraw/zinc/45/98/81/524459881.db2.gz REESEAKIUREDBR-UHFFFAOYSA-N 0 0 431.330 3.626 50 0 IHAARN C[C@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1ccc(C(F)(F)F)n1 ZINC000020607255 524460473 /nfs/dbraw/zinc/46/04/73/524460473.db2.gz HZXRNYHFTCXPBK-MRVPVSSYSA-N 0 0 439.385 3.935 50 0 IHAARN COc1ccccc1CNC(=O)CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000015677923 524461242 /nfs/dbraw/zinc/46/12/42/524461242.db2.gz CYXDGTCZVCAMFH-QHCPKHFHSA-N 0 0 431.492 3.654 50 0 IHAARN COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c(OC)c1 ZINC000021882467 524486809 /nfs/dbraw/zinc/48/68/09/524486809.db2.gz DKSWAQOBVCPUPS-UHFFFAOYSA-N 0 0 427.526 3.842 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000012847948 524494848 /nfs/dbraw/zinc/49/48/48/524494848.db2.gz BEVWUFWVGBRCMY-UHFFFAOYSA-N 0 0 437.565 3.569 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c(OC)c1 ZINC000009263055 524515593 /nfs/dbraw/zinc/51/55/93/524515593.db2.gz XCBYMJXWWKOBQV-UHFFFAOYSA-N 0 0 442.541 3.759 50 0 IHAARN COc1ccccc1Cn1cnc2c1c(=O)n(C1CCCC1)c(=O)n2-c1ccccc1C ZINC000034695066 524519779 /nfs/dbraw/zinc/51/97/79/524519779.db2.gz CZTGOPAEGUFVGS-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(F)cc32)cc1 ZINC000035535390 524531429 /nfs/dbraw/zinc/53/14/29/524531429.db2.gz XHQNJQZRXNAXGU-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccccc4)n3c2)cc1 ZINC000033284575 524561541 /nfs/dbraw/zinc/56/15/41/524561541.db2.gz SAXOOHKWWUMUPO-UHFFFAOYSA-N 0 0 431.521 3.699 50 0 IHAARN C[C@H]1CN(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000036047502 524593237 /nfs/dbraw/zinc/59/32/37/524593237.db2.gz CXYDQSAATGZGSO-RYUDHWBXSA-N 0 0 448.429 3.502 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)c(F)cc21 ZINC000035535389 524606441 /nfs/dbraw/zinc/60/64/41/524606441.db2.gz PRCJSECORUMWIL-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1C ZINC000012233165 524606727 /nfs/dbraw/zinc/60/67/27/524606727.db2.gz XYAHWRQEQNDNLQ-QGZVFWFLSA-N 0 0 431.521 3.875 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000012695453 524620803 /nfs/dbraw/zinc/62/08/03/524620803.db2.gz HPWHAKWRDDIWMB-AWEZNQCLSA-N 0 0 434.334 3.664 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@@H](C)O)cc3)cc2)cc1 ZINC000012557111 524637237 /nfs/dbraw/zinc/63/72/37/524637237.db2.gz SRMYGABNNCVRAC-OAHLLOKOSA-N 0 0 426.494 3.802 50 0 IHAARN C[C@@H](CNC(=O)CCC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1)c1ccccc1 ZINC000021531448 524645695 /nfs/dbraw/zinc/64/56/95/524645695.db2.gz LYJQGRAHRDFDNC-ZDUSSCGKSA-N 0 0 439.459 3.918 50 0 IHAARN COc1ccccc1OCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000012823737 524675708 /nfs/dbraw/zinc/67/57/08/524675708.db2.gz KLBXNORFSNYWLM-UHFFFAOYSA-N 0 0 430.302 3.761 50 0 IHAARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)C(C)(C)C)cs1 ZINC000034905740 524686014 /nfs/dbraw/zinc/68/60/14/524686014.db2.gz RFLXOURIJFKHEO-CVEARBPZSA-N 0 0 445.585 3.934 50 0 IHAARN Cc1ccc(Cl)c(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000012877350 524702814 /nfs/dbraw/zinc/70/28/14/524702814.db2.gz JNSMGJYHKXQXBB-CYBMUJFWSA-N 0 0 431.341 3.523 50 0 IHAARN C[C@H](Cc1ccco1)NC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011909 524744346 /nfs/dbraw/zinc/74/43/46/524744346.db2.gz JMBNUOIFGVIBIX-LLVKDONJSA-N 0 0 436.946 3.876 50 0 IHAARN Cc1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012896223 524748751 /nfs/dbraw/zinc/74/87/51/524748751.db2.gz LBKJPTHXRYYCKA-UHFFFAOYSA-N 0 0 431.554 3.635 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000021159361 524771431 /nfs/dbraw/zinc/77/14/31/524771431.db2.gz BFCGHJIJNDCLSR-QFIPXVFZSA-N 0 0 432.568 3.905 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035961203 524806369 /nfs/dbraw/zinc/80/63/69/524806369.db2.gz WQJFMZYQEDXWPX-HXUWFJFHSA-N 0 0 440.519 3.952 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000015774102 524819768 /nfs/dbraw/zinc/81/97/68/524819768.db2.gz VGXVILGCRDKACI-HSZRJFAPSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000035855255 524877354 /nfs/dbraw/zinc/87/73/54/524877354.db2.gz IMKVWQDDARGXTE-WKGYELDXSA-N 0 0 449.938 3.696 50 0 IHAARN C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 ZINC000022908300 524882557 /nfs/dbraw/zinc/88/25/57/524882557.db2.gz OWLAWQJLNWHFKW-AVRDEDQJSA-N 0 0 433.577 3.841 50 0 IHAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000015824052 524900680 /nfs/dbraw/zinc/90/06/80/524900680.db2.gz KKGMYUUTHSSZHU-UHFFFAOYSA-N 0 0 444.538 3.763 50 0 IHAARN Cc1cc(Cl)ccc1S(=O)(=O)NCCCn1c2ncccc2nc1C(F)(F)F ZINC000015864759 524913116 /nfs/dbraw/zinc/91/31/16/524913116.db2.gz BWHZOGCLHADMPH-UHFFFAOYSA-N 0 0 432.855 3.781 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H]([C@@H]3CC(C)=C4C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]4C3)C2=O)cc1 ZINC000018355154 524922736 /nfs/dbraw/zinc/92/27/36/524922736.db2.gz CPQIYYIWZOCUGT-QMBPOEKNSA-N 0 0 442.515 3.955 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cc(C)cc3Cl)c(C)c1 ZINC000035851704 524928554 /nfs/dbraw/zinc/92/85/54/524928554.db2.gz ZVVZBSFKRQIODT-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012562201 524936823 /nfs/dbraw/zinc/93/68/23/524936823.db2.gz UTKWVUURNVNDPX-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl ZINC000021329076 524948258 /nfs/dbraw/zinc/94/82/58/524948258.db2.gz UDZFRTMLKIWKMH-NPMXOYFQSA-N 0 0 425.916 3.691 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl ZINC000021329082 524949520 /nfs/dbraw/zinc/94/95/20/524949520.db2.gz UDZFRTMLKIWKMH-WNSKOXEYSA-N 0 0 425.916 3.691 50 0 IHAARN C[C@H](NC(=O)COc1c(I)cc(Cl)c2cccnc21)C1CC1 ZINC000012900828 524968778 /nfs/dbraw/zinc/96/87/78/524968778.db2.gz PWOGDRFLJLHYAB-VIFPVBQESA-N 0 0 430.673 3.786 50 0 IHAARN COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 ZINC000012090169 524973548 /nfs/dbraw/zinc/97/35/48/524973548.db2.gz NSDFCLDTUFPVBV-KRWDZBQOSA-N 0 0 440.931 3.920 50 0 IHAARN COc1ccc(Oc2cc3c(cc2NC(=O)c2cccc(C)c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033265700 524993023 /nfs/dbraw/zinc/99/30/23/524993023.db2.gz KZQLQFWQZIEASC-UHFFFAOYSA-N 0 0 445.475 3.599 50 0 IHAARN Cc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012630271 524996208 /nfs/dbraw/zinc/99/62/08/524996208.db2.gz XTYGDQTXXOCNHM-UHFFFAOYSA-N 0 0 428.441 3.916 50 0 IHAARN Cc1ccccc1-c1nn2c(nc(CNC(=O)c3ccc(F)c(Cl)c3)cc2=O)s1 ZINC000041078119 525015224 /nfs/dbraw/zinc/01/52/24/525015224.db2.gz QYOQTOZFOPAXPD-UHFFFAOYSA-N 0 0 428.876 3.849 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@H](C)C(=O)NC1CCCCC1 ZINC000012766050 525026841 /nfs/dbraw/zinc/02/68/41/525026841.db2.gz UJOCZYNKRCGTHJ-QGZVFWFLSA-N 0 0 437.606 3.509 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1ccc(C(F)(F)F)cc1)nc2C ZINC000012228546 525033243 /nfs/dbraw/zinc/03/32/43/525033243.db2.gz AVWAPYQIKFUBPL-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2O1 ZINC000041157581 525051335 /nfs/dbraw/zinc/05/13/35/525051335.db2.gz LGMOTKMKVQJZJO-QGZVFWFLSA-N 0 0 438.505 3.680 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@H](C)O1 ZINC000014429977 525053093 /nfs/dbraw/zinc/05/30/93/525053093.db2.gz XHXITPYKOYXGCN-OKILXGFUSA-N 0 0 442.459 3.756 50 0 IHAARN COc1ccc(S(=O)(=O)NCCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000021155338 525058187 /nfs/dbraw/zinc/05/81/87/525058187.db2.gz MEMSOGXYVBJDRG-UHFFFAOYSA-N 0 0 436.537 3.784 50 0 IHAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445893 525058922 /nfs/dbraw/zinc/05/89/22/525058922.db2.gz IULWRZIVBOCHIK-JOCHJYFZSA-N 0 0 446.551 3.575 50 0 IHAARN Cc1ccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c(Br)c1 ZINC000012521472 525065103 /nfs/dbraw/zinc/06/51/03/525065103.db2.gz ZORBFUFFZCAMQN-UHFFFAOYSA-N 0 0 427.306 3.797 50 0 IHAARN Cc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O ZINC000016047809 525066552 /nfs/dbraw/zinc/06/65/52/525066552.db2.gz NXLSSUCYBQSWRS-UHFFFAOYSA-N 0 0 443.506 3.660 50 0 IHAARN Cc1cc(N2CCN(C(=O)c3cc(C4CC4)nc4c3cnn4C)CC2)nc2ccccc12 ZINC000020606935 525075745 /nfs/dbraw/zinc/07/57/45/525075745.db2.gz SMJNVFBFBYZHHR-UHFFFAOYSA-N 0 0 426.524 3.665 50 0 IHAARN COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12 ZINC000001118559 525095022 /nfs/dbraw/zinc/09/50/22/525095022.db2.gz PQRLGLOLWLSQKT-UHFFFAOYSA-N 0 0 430.464 3.987 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)cc1C ZINC000020861228 525099478 /nfs/dbraw/zinc/09/94/78/525099478.db2.gz FWMKNBIUVXNXOM-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012763609 525129392 /nfs/dbraw/zinc/12/93/92/525129392.db2.gz NVAUIXIUSUUFBM-ZDUSSCGKSA-N 0 0 440.537 3.573 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1F ZINC000022238509 525154428 /nfs/dbraw/zinc/15/44/28/525154428.db2.gz ZMGHFJPMWHKUOC-UHFFFAOYSA-N 0 0 428.485 3.809 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000021896015 525162653 /nfs/dbraw/zinc/16/26/53/525162653.db2.gz YHPSLRDZEXRXDJ-UHFFFAOYSA-N 0 0 438.343 3.693 50 0 IHAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1=O ZINC000015843050 525165276 /nfs/dbraw/zinc/16/52/76/525165276.db2.gz QWXGGBIXPWTEPU-SNVBAGLBSA-N 0 0 446.834 3.924 50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSC2CCCCC2)CC1 ZINC000024611110 525176512 /nfs/dbraw/zinc/17/65/12/525176512.db2.gz XCCJIPZGAGSVTF-UHFFFAOYSA-N 0 0 438.659 3.719 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1 ZINC000023936740 525188531 /nfs/dbraw/zinc/18/85/31/525188531.db2.gz YYIBVXSFTHIMSN-OAQYLSRUSA-N 0 0 437.565 3.930 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000012550793 525198664 /nfs/dbraw/zinc/19/86/64/525198664.db2.gz POVQAUMGCLTNCZ-UHFFFAOYSA-N 0 0 435.977 3.674 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3ccco3)C2)c1 ZINC000001077216 525225006 /nfs/dbraw/zinc/22/50/06/525225006.db2.gz OBQSILNMLBMLTI-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3Br)cc2)nn1 ZINC000016975194 525241921 /nfs/dbraw/zinc/24/19/21/525241921.db2.gz PSTSZLASGLIPEM-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012773458 525246967 /nfs/dbraw/zinc/24/69/67/525246967.db2.gz XWABUYMHJYNZTM-NSHDSACASA-N 0 0 439.415 3.983 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000015541695 525248467 /nfs/dbraw/zinc/24/84/67/525248467.db2.gz ARWIJJIMYWTJKA-NRFANRHFSA-N 0 0 446.544 3.986 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061992 525257304 /nfs/dbraw/zinc/25/73/04/525257304.db2.gz BGNKJGJOVTXKJS-RBUKOAKNSA-N 0 0 430.570 3.783 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2n[nH]c(COc3ccccc3C)n2)n1 ZINC000012565131 525274943 /nfs/dbraw/zinc/27/49/43/525274943.db2.gz HNVDPYJPDWZEFN-UHFFFAOYSA-N 0 0 434.529 3.804 50 0 IHAARN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 ZINC000012771089 525279638 /nfs/dbraw/zinc/27/96/38/525279638.db2.gz APYQSCUMYAIFRY-XUSGNXJCSA-N 0 0 432.307 3.780 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1F ZINC000012794599 525298811 /nfs/dbraw/zinc/29/88/11/525298811.db2.gz DFLPOOWYFCVBNG-UHFFFAOYSA-N 0 0 428.272 3.788 50 0 IHAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1 ZINC000012926390 525314697 /nfs/dbraw/zinc/31/46/97/525314697.db2.gz MZMNCZSEVYXCNN-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000035537614 525358863 /nfs/dbraw/zinc/35/88/63/525358863.db2.gz SMUPYEISKKZQPN-UHFFFAOYSA-N 0 0 440.906 3.972 50 0 IHAARN COc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 ZINC000022471131 525369199 /nfs/dbraw/zinc/36/91/99/525369199.db2.gz KKEJFLZLDFBMFG-KNQAVFIVSA-N 0 0 447.539 3.578 50 0 IHAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc1C ZINC000001100663 525397132 /nfs/dbraw/zinc/39/71/32/525397132.db2.gz RQEFXUFWQXZVSR-KRWDZBQOSA-N 0 0 428.554 3.780 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)N3CCC(C)CC3)CC2)c(C)c1C(=O)OC(C)C ZINC000035425996 525410700 /nfs/dbraw/zinc/41/07/00/525410700.db2.gz RQICGXLMAIXDNX-UHFFFAOYSA-N 0 0 431.577 3.698 50 0 IHAARN Cc1cc(SCC(=O)NC[C@H](c2cccs2)N2CCOCC2)nc2ccccc12 ZINC000012554007 525434013 /nfs/dbraw/zinc/43/40/13/525434013.db2.gz RGUGPAWQAKCZOU-LJQANCHMSA-N 0 0 427.595 3.887 50 0 IHAARN COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000011990847 525443439 /nfs/dbraw/zinc/44/34/39/525443439.db2.gz OHNHTPFJJGKPLR-NUJGCVRESA-N 0 0 438.530 3.549 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc4c(c3)OCO4)nc12 ZINC000015865419 525459516 /nfs/dbraw/zinc/45/95/16/525459516.db2.gz KFQUTJPTJZDZCC-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4)nc23)cc1 ZINC000035424710 525479053 /nfs/dbraw/zinc/47/90/53/525479053.db2.gz XQRYWBWCLDXCRD-UHFFFAOYSA-N 0 0 425.448 3.784 50 0 IHAARN Cc1c(-c2ccc(C)cc2)n(-c2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012461926 525505570 /nfs/dbraw/zinc/50/55/70/525505570.db2.gz OPVTVXZNYFTTMR-UHFFFAOYSA-N 0 0 433.899 3.613 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)c(C)c1 ZINC000012788825 525519384 /nfs/dbraw/zinc/51/93/84/525519384.db2.gz UXPNWFRMSANTQA-KRWDZBQOSA-N 0 0 432.611 3.912 50 0 IHAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc2N1C(=O)C1CC1 ZINC000020935511 525522134 /nfs/dbraw/zinc/52/21/34/525522134.db2.gz OKAKSXCGAYTHSD-CQSZACIVSA-N 0 0 446.956 3.830 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012633586 525533142 /nfs/dbraw/zinc/53/31/42/525533142.db2.gz GHBJLDOKHBIGQK-JOCHJYFZSA-N 0 0 427.570 3.777 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1C ZINC000032949716 525573111 /nfs/dbraw/zinc/57/31/11/525573111.db2.gz LDKKMNSICKYJMM-UHFFFAOYSA-N 0 0 434.565 3.812 50 0 IHAARN COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(OC)cc3F)ccc1=O)c(C)n2C ZINC000044889828 525603037 /nfs/dbraw/zinc/60/30/37/525603037.db2.gz KONLLDYGFZYUFD-UHFFFAOYSA-N 0 0 435.455 3.750 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CNC(=O)c3cccs3)c2)cc1C ZINC000012561122 525616180 /nfs/dbraw/zinc/61/61/80/525616180.db2.gz WQNBWVSKMFMOLT-UHFFFAOYSA-N 0 0 443.550 3.534 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CSc3nc4sccc4c(=O)[nH]3)ccc2c1 ZINC000012882035 525625993 /nfs/dbraw/zinc/62/59/93/525625993.db2.gz GOZZLJSSCCEDHM-UHFFFAOYSA-N 0 0 425.535 3.897 50 0 IHAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O ZINC000012688923 525627129 /nfs/dbraw/zinc/62/71/29/525627129.db2.gz AIJBBEJGFGTUCW-LBPRGKRZSA-N 0 0 440.550 3.818 50 0 IHAARN COc1ccc2cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c(Cl)nc2c1 ZINC000012794255 525634221 /nfs/dbraw/zinc/63/42/21/525634221.db2.gz PVFTWKXNNKSFGU-UHFFFAOYSA-N 0 0 441.292 3.555 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)NCc3ccc(COCC(F)(F)F)cc3)c(C)n2n1 ZINC000021522224 525669805 /nfs/dbraw/zinc/66/98/05/525669805.db2.gz DBTZHMGKXHINTB-UHFFFAOYSA-N 0 0 434.462 3.982 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3cccc(Cl)c3)cc(=O)n2o1 ZINC000015772350 525672062 /nfs/dbraw/zinc/67/20/62/525672062.db2.gz ANORHKQQXDMREW-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)c4cccs4)s3)c(=O)[nH]c2cc1C ZINC000013361208 525677587 /nfs/dbraw/zinc/67/75/87/525677587.db2.gz FQEVXUGPGWECDR-UHFFFAOYSA-N 0 0 429.552 3.998 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c12 ZINC000020947056 525679275 /nfs/dbraw/zinc/67/92/75/525679275.db2.gz XMYIFTLYTHGBTR-JOCHJYFZSA-N 0 0 426.520 3.998 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@H](C(=O)NCc3ccc(F)cc3)C(C)C)no2)c1 ZINC000036002626 525703833 /nfs/dbraw/zinc/70/38/33/525703833.db2.gz ASNOOPIHLKYWIO-NRFANRHFSA-N 0 0 425.460 3.560 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(F)c3F)n2)c1 ZINC000015670528 525717196 /nfs/dbraw/zinc/71/71/96/525717196.db2.gz NEHQHIULLUWZMD-MRXNPFEDSA-N 0 0 448.433 3.794 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)cc3)n2)c1 ZINC000015670457 525718580 /nfs/dbraw/zinc/71/85/80/525718580.db2.gz RZDCWWNNOPXNFE-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1 ZINC000021024749 525736604 /nfs/dbraw/zinc/73/66/04/525736604.db2.gz AZCUNEGWEABIDW-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN COc1cccc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc43)n2)c1 ZINC000022358760 525737991 /nfs/dbraw/zinc/73/79/91/525737991.db2.gz YJDOFFKWKZWUEH-UHFFFAOYSA-N 0 0 449.536 3.813 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000041252836 525745300 /nfs/dbraw/zinc/74/53/00/525745300.db2.gz QUJVIDLSWCPZFP-UHFFFAOYSA-N 0 0 436.943 3.611 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1 ZINC000041254480 525745934 /nfs/dbraw/zinc/74/59/34/525745934.db2.gz PFRHENWZBUKMKO-UHFFFAOYSA-N 0 0 426.314 3.688 50 0 IHAARN Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2CCN2CCOCC2)CC1=O ZINC000021171821 525759452 /nfs/dbraw/zinc/75/94/52/525759452.db2.gz MSWSTXUGHSLSEQ-GOSISDBHSA-N 0 0 438.959 3.851 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000020848434 525764058 /nfs/dbraw/zinc/76/40/58/525764058.db2.gz RBIBSDINYKFXTI-UHFFFAOYSA-N 0 0 442.368 3.693 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012738760 525765512 /nfs/dbraw/zinc/76/55/12/525765512.db2.gz UZFZXDBVWKQQTJ-UHFFFAOYSA-N 0 0 426.563 3.870 50 0 IHAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012592646 525788464 /nfs/dbraw/zinc/78/84/64/525788464.db2.gz KXSNEVOBVPHBAN-UHFFFAOYSA-N 0 0 427.961 3.918 50 0 IHAARN Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1 ZINC000012870501 525798918 /nfs/dbraw/zinc/79/89/18/525798918.db2.gz LARGHDGIPPTOQJ-UHFFFAOYSA-N 0 0 441.578 3.574 50 0 IHAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccco1 ZINC000021853748 525804429 /nfs/dbraw/zinc/80/44/29/525804429.db2.gz OKEYYWNQFGORKL-SANMLTNESA-N 0 0 440.503 3.874 50 0 IHAARN Cc1ccsc1C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000011971293 525823315 /nfs/dbraw/zinc/82/33/15/525823315.db2.gz WBDHTMDBNVCFQR-SFHVURJKSA-N 0 0 427.547 3.861 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCC4)c3)C2)c1 ZINC000033311385 525866690 /nfs/dbraw/zinc/86/66/90/525866690.db2.gz FROXBBYFNPJYDI-OAQYLSRUSA-N 0 0 436.552 3.791 50 0 IHAARN COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2)C(=O)CO3)c1 ZINC000035909329 525874794 /nfs/dbraw/zinc/87/47/94/525874794.db2.gz QYMNZMKLHSMRCP-UHFFFAOYSA-N 0 0 446.503 3.806 50 0 IHAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 ZINC000033012913 525880125 /nfs/dbraw/zinc/88/01/25/525880125.db2.gz UZRABMSMFDOJPU-UHFFFAOYSA-N 0 0 428.448 3.975 50 0 IHAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 ZINC000012697320 525880711 /nfs/dbraw/zinc/88/07/11/525880711.db2.gz FZBAEKNRTSIOFP-AWEZNQCLSA-N 0 0 447.538 3.503 50 0 IHAARN C[C@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022528704 525884173 /nfs/dbraw/zinc/88/41/73/525884173.db2.gz IHBGZNXHFRSXMS-VIFPVBQESA-N 0 0 445.686 3.695 50 0 IHAARN C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022287051 525886766 /nfs/dbraw/zinc/88/67/66/525886766.db2.gz ARNOOCLHKXLISU-GOSISDBHSA-N 0 0 437.565 3.505 50 0 IHAARN Cc1ccc(-c2nsc3c2nc(SCC(=O)NC2CCCCC2)n(C)c3=O)cc1 ZINC000033300263 525888183 /nfs/dbraw/zinc/88/81/83/525888183.db2.gz NNEYXSWDUUQAQF-UHFFFAOYSA-N 0 0 428.583 3.906 50 0 IHAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl)C(N)=O ZINC000012757789 525892809 /nfs/dbraw/zinc/89/28/09/525892809.db2.gz KJQRBLILRSPUEB-CQSZACIVSA-N 0 0 434.883 3.831 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc3c2nc[nH]c3=O)cc1 ZINC000012462117 525898928 /nfs/dbraw/zinc/89/89/28/525898928.db2.gz ZPHLXBYNYXEZIM-UHFFFAOYSA-N 0 0 443.891 3.941 50 0 biogenic,in-vitro IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)ccc2=O)cc1 ZINC000035426645 525929702 /nfs/dbraw/zinc/92/97/02/525929702.db2.gz BOPDYDWCPXKVSW-UHFFFAOYSA-N 0 0 447.926 3.638 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1cccc(C)c1)nc2C ZINC000020563659 525934383 /nfs/dbraw/zinc/93/43/83/525934383.db2.gz NBAQMHVMNBADAZ-IBGZPJMESA-N 0 0 429.524 3.693 50 0 IHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000021725154 525938820 /nfs/dbraw/zinc/93/88/20/525938820.db2.gz PJGYJAQVDXQHPY-QGZVFWFLSA-N 0 0 440.931 3.892 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)cc2=O)s1 ZINC000021633451 525941138 /nfs/dbraw/zinc/94/11/38/525941138.db2.gz CWRIOHVPNYERDS-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN Cc1cn2c(nc(COc3ccccc3NC(=O)COc3ccccc3F)cc2=O)s1 ZINC000041085752 525941317 /nfs/dbraw/zinc/94/13/17/525941317.db2.gz OFFRZTGANXLQFU-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN Cc1cn2c(nc(COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)cc2=O)s1 ZINC000041085624 525941353 /nfs/dbraw/zinc/94/13/53/525941353.db2.gz GCFPYBICSYXRSC-UHFFFAOYSA-N 0 0 435.461 3.624 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2=O)s1 ZINC000021633279 525941851 /nfs/dbraw/zinc/94/18/51/525941851.db2.gz JCIPGLSVQOYOCP-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F ZINC000015496364 525980378 /nfs/dbraw/zinc/98/03/78/525980378.db2.gz ARKAKGHDFMENLY-SNVBAGLBSA-N 0 0 434.447 3.875 50 0 IHAARN C[C@@H](Sc1n[nH]c(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000021261883 526000220 /nfs/dbraw/zinc/00/02/20/526000220.db2.gz LJQGWWZKRQZPFG-LLVKDONJSA-N 0 0 432.889 3.885 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000012796240 526003055 /nfs/dbraw/zinc/00/30/55/526003055.db2.gz URHZRHGXXYUEQJ-CABCVRRESA-N 0 0 434.521 3.665 50 0 IHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012525321 526003525 /nfs/dbraw/zinc/00/35/25/526003525.db2.gz RAZRSFIAJYYWCD-HNNXBMFYSA-N 0 0 444.582 3.857 50 0 IHAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n[nH]1 ZINC000033306708 526037378 /nfs/dbraw/zinc/03/73/78/526037378.db2.gz UCIRPWPYGABESM-UHFFFAOYSA-N 0 0 434.562 3.713 50 0 IHAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000020567997 526051855 /nfs/dbraw/zinc/05/18/55/526051855.db2.gz DUNPSOWJDCCICY-UHFFFAOYSA-N 0 0 426.510 3.726 50 0 IHAARN COc1cccc(Cc2cnc(NC(=O)CCNC(=O)c3ccc(F)cc3F)s2)c1 ZINC000012754427 526085574 /nfs/dbraw/zinc/08/55/74/526085574.db2.gz YDOCSHKUPSXYCL-UHFFFAOYSA-N 0 0 431.464 3.779 50 0 IHAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000012919619 526094397 /nfs/dbraw/zinc/09/43/97/526094397.db2.gz PFGIPDIFLFBUNW-ZFWWWQNUSA-N 0 0 434.323 3.658 50 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526187518 /nfs/dbraw/zinc/18/75/18/526187518.db2.gz ZPXZPLZJTGKOQR-UHFFFAOYSA-N 0 0 426.494 3.587 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)NCc1ccccc1Cl ZINC000035535092 526216136 /nfs/dbraw/zinc/21/61/36/526216136.db2.gz HKSRFKGDAYLALH-UHFFFAOYSA-N 0 0 445.906 3.906 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nn2cc(-c3ccccc3)nc2s1 ZINC000012520801 526217545 /nfs/dbraw/zinc/21/75/45/526217545.db2.gz HMEBNUPEWRAGPO-OAHLLOKOSA-N 0 0 446.536 3.658 50 0 IHAARN CSc1ncc(C(=O)NCC(=O)Nc2ccccc2Br)n1-c1ccccc1 ZINC000012580901 526220357 /nfs/dbraw/zinc/22/03/57/526220357.db2.gz VLXYQDAKJGHXIJ-UHFFFAOYSA-N 0 0 445.342 3.725 50 0 IHAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)oc2c1 ZINC000021020774 526247160 /nfs/dbraw/zinc/24/71/60/526247160.db2.gz JCXUSYMHUMPZHM-UHFFFAOYSA-N 0 0 425.554 3.522 50 0 IHAARN C[C@H](CC(F)(F)F)C(=O)N1CCc2c(sc3[nH]c(=O)n(C4CCCCC4)c(=O)c32)C1 ZINC000022623964 526257250 /nfs/dbraw/zinc/25/72/50/526257250.db2.gz GWQLNVOWBTTYTF-LLVKDONJSA-N 0 0 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3.757 50 0 IHAARN O=C(COc1ncnc2ccccc21)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012387166 527003587 /nfs/dbraw/zinc/00/35/87/527003587.db2.gz LMUCIMIRFBOCLN-FQEVSTJZSA-N 0 0 435.434 3.666 50 0 IHAARN O=C1CN(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2N1Cc1ccc(F)cc1 ZINC000021662943 527003621 /nfs/dbraw/zinc/00/36/21/527003621.db2.gz DXHQNWOGEFYVKM-UHFFFAOYSA-N 0 0 428.460 3.703 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C[C@@H]2CCCO2)c1C ZINC000021568798 527022955 /nfs/dbraw/zinc/02/29/55/527022955.db2.gz HUVRAAMBJVQZGS-NQIIRXRSSA-N 0 0 444.601 3.635 50 0 IHAARN O=C(CS[C@@H]1CCc2ccccc2NC1=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020676712 527031784 /nfs/dbraw/zinc/03/17/84/527031784.db2.gz GNJAEMKVAXSTJF-OAQYLSRUSA-N 0 0 425.554 3.794 50 0 IHAARN O=C(CSc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCCC1 ZINC000012812685 527043478 /nfs/dbraw/zinc/04/34/78/527043478.db2.gz FLUQSXOGUFUEJC-DHZHZOJOSA-N 0 0 449.620 3.872 50 0 IHAARN Cn1c(CCNC(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)nc2ccccc21 ZINC000011972467 527048308 /nfs/dbraw/zinc/04/83/08/527048308.db2.gz WGXNKHBEFYTHOY-DEOSSOPVSA-N 0 0 438.959 3.557 50 0 IHAARN O=C(CSc1nnc(CCC2CCCC2)[nH]1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000021823791 527054790 /nfs/dbraw/zinc/05/47/90/527054790.db2.gz SKZQXTSWMKHBDE-UHFFFAOYSA-N 0 0 444.529 3.655 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012678401 527076777 /nfs/dbraw/zinc/07/67/77/527076777.db2.gz WXPAMLBHCMDSGE-UHFFFAOYSA-N 0 0 430.505 3.762 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NC[C@@H]1CCCO1 ZINC000012743714 527078832 /nfs/dbraw/zinc/07/88/32/527078832.db2.gz NTWFDMVXBKILCR-SFHVURJKSA-N 0 0 440.544 3.714 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1ccccc1C(F)(F)F ZINC000015905775 527083301 /nfs/dbraw/zinc/08/33/01/527083301.db2.gz MGXBBJZGZNYMES-UHFFFAOYSA-N 0 0 442.444 3.811 50 0 IHAARN Cn1c2ccc(CNC(=O)c3ccc4oc(-c5cccc(F)c5)nc4c3)cc2n(C)c1=O ZINC000012745487 527099397 /nfs/dbraw/zinc/09/93/97/527099397.db2.gz FYBYLYVCAPIBBT-UHFFFAOYSA-N 0 0 430.439 3.754 50 0 IHAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Br)cc1 ZINC000020721760 527102020 /nfs/dbraw/zinc/10/20/20/527102020.db2.gz XOUTUAXRSOEMNW-CQSZACIVSA-N 0 0 446.692 3.883 50 0 IHAARN Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)n2n1 ZINC000032871561 527114720 /nfs/dbraw/zinc/11/47/20/527114720.db2.gz ZNVZAWKJCZSDFQ-CYBMUJFWSA-N 0 0 446.536 3.830 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000020953686 527130496 /nfs/dbraw/zinc/13/04/96/527130496.db2.gz JNSXREFPAAYFMC-UHFFFAOYSA-N 0 0 431.458 3.509 50 0 IHAARN O=C1c2ccccc2N[C@H](c2ccc(OCCO)cc2Br)N1CC(F)(F)F ZINC000022195874 527134738 /nfs/dbraw/zinc/13/47/38/527134738.db2.gz NYKPAWRJTARBMO-INIZCTEOSA-N 0 0 445.235 3.949 50 0 IHAARN Cc1nc2ccc(OCC(=O)OCc3ccccc3)cc2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000012297124 527148361 /nfs/dbraw/zinc/14/83/61/527148361.db2.gz LAGVWEWVMNTJFW-UHFFFAOYSA-N 0 0 444.443 3.545 50 0 biogenic IHAARN O=C(Nc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1)c1ccco1 ZINC000012999710 527169460 /nfs/dbraw/zinc/16/94/60/527169460.db2.gz PCGBABYLVCHTPU-KRWDZBQOSA-N 0 0 437.521 3.762 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000012812573 527174991 /nfs/dbraw/zinc/17/49/91/527174991.db2.gz DNKWNHKWZQVBCY-CQSZACIVSA-N 0 0 429.325 3.703 50 0 IHAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000012563336 527186348 /nfs/dbraw/zinc/18/63/48/527186348.db2.gz SXPJJKDZNPFUNU-GOSISDBHSA-N 0 0 435.471 3.857 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704070 527208123 /nfs/dbraw/zinc/20/81/23/527208123.db2.gz ZPGKCFXJIBOCBY-UHFFFAOYSA-N 0 0 426.856 3.815 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000035502404 527229460 /nfs/dbraw/zinc/22/94/60/527229460.db2.gz FQIKZNBCOKOQJJ-UHFFFAOYSA-N 0 0 443.551 3.835 50 0 IHAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2oc(=S)n(CN3CCOCC3)c2c1 ZINC000012557463 527248292 /nfs/dbraw/zinc/24/82/92/527248292.db2.gz TYDCYHOPYDMFFK-UHFFFAOYSA-N 0 0 439.946 3.708 50 0 IHAARN Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)C2 ZINC000012242679 527316361 /nfs/dbraw/zinc/31/63/61/527316361.db2.gz KDMVHDCJGKAWLQ-SELNLUPBSA-N 0 0 447.604 3.895 50 0 IHAARN O=C(Cc1cn2ccsc2n1)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000020775591 527323074 /nfs/dbraw/zinc/32/30/74/527323074.db2.gz SVFQMTNGZQTRFY-HXUWFJFHSA-N 0 0 438.578 3.752 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000021883312 527324552 /nfs/dbraw/zinc/32/45/52/527324552.db2.gz BGLOFUAWXWQUFM-DKICVRJWSA-N 0 0 444.354 3.630 50 0 biogenic IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000040062806 527337412 /nfs/dbraw/zinc/33/74/12/527337412.db2.gz XHMHJDAEEBHESF-QGZVFWFLSA-N 0 0 427.482 3.727 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCC3)Nc1ccccc1 ZINC000012391727 527362996 /nfs/dbraw/zinc/36/29/96/527362996.db2.gz ZPXFIKKZIDJYAM-UHFFFAOYSA-N 0 0 441.516 3.900 50 0 IHAARN O=c1[nH]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2cc(Cl)ccc12 ZINC000022912463 527437763 /nfs/dbraw/zinc/43/77/63/527437763.db2.gz YFXNGDWBJQRUBT-UHFFFAOYSA-N 0 0 436.865 3.913 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2cccc(F)c2)c(=O)n1Cc1ccccc1 ZINC000034692974 527458916 /nfs/dbraw/zinc/45/89/16/527458916.db2.gz XWVGKMZYMBNOFJ-UHFFFAOYSA-N 0 0 426.451 3.585 50 0 IHAARN O=c1c2c3c(sc2nc(S[C@@H]2CCCCNC2=O)n1CCc1ccccc1)CCC3 ZINC000012886050 527459141 /nfs/dbraw/zinc/45/91/41/527459141.db2.gz DFLDTAMWKWHIFJ-GOSISDBHSA-N 0 0 439.606 3.950 50 0 IHAARN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1CCS(=O)(=O)Oc1ccccc1 ZINC000012753579 527471751 /nfs/dbraw/zinc/47/17/51/527471751.db2.gz QXMPZKJHEZNNOA-UHFFFAOYSA-N 0 0 430.482 3.673 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023076211 527494257 /nfs/dbraw/zinc/49/42/57/527494257.db2.gz RBQGVNXVEGBIIE-UHFFFAOYSA-N 0 0 428.485 3.702 50 0 IHAARN O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000015681601 527509607 /nfs/dbraw/zinc/50/96/07/527509607.db2.gz WCMKEFMGJOFPNB-SFHVURJKSA-N 0 0 449.530 3.713 50 0 IHAARN Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000035482541 527519528 /nfs/dbraw/zinc/51/95/28/527519528.db2.gz KMXZFDGBOCWAJS-UHFFFAOYSA-N 0 0 443.349 3.679 50 0 IHAARN Cc1nn(-c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)c2c1C(=O)CCC2 ZINC000021717257 527519743 /nfs/dbraw/zinc/51/97/43/527519743.db2.gz UHRMSSCALSOQRI-UHFFFAOYSA-N 0 0 432.499 3.801 50 0 IHAARN O=C(NC1CCCCCCC1)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000033052790 527522230 /nfs/dbraw/zinc/52/22/30/527522230.db2.gz GAFIFKQZNXHUTN-UHFFFAOYSA-N 0 0 433.618 3.914 50 0 IHAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000022900828 527523917 /nfs/dbraw/zinc/52/39/17/527523917.db2.gz YKBXIQCWEAPZMC-UHFFFAOYSA-N 0 0 431.492 3.816 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(C)nc(N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000036002848 527535064 /nfs/dbraw/zinc/53/50/64/527535064.db2.gz LSSMMVYPXSGQCQ-UHFFFAOYSA-N 0 0 432.553 3.765 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccc(Cl)cc1 ZINC000020984030 527535734 /nfs/dbraw/zinc/53/57/34/527535734.db2.gz WOWMELUFOKVXSN-UHFFFAOYSA-N 0 0 435.943 3.806 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1ccccc1Cl ZINC000035509596 527536017 /nfs/dbraw/zinc/53/60/17/527536017.db2.gz DWBRNKDVCTVKIK-UHFFFAOYSA-N 0 0 429.914 3.744 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012700087 527547312 /nfs/dbraw/zinc/54/73/12/527547312.db2.gz JBBVOAVJXOPZOG-UHFFFAOYSA-N 0 0 444.988 3.649 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc12 ZINC000020969410 527566362 /nfs/dbraw/zinc/56/63/62/527566362.db2.gz QVJDWVJGJZIVEN-ZDUSSCGKSA-N 0 0 433.917 3.501 50 0 IHAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(Cc1nccs1)CC2 ZINC000012450395 527584512 /nfs/dbraw/zinc/58/45/12/527584512.db2.gz YAACJZDLBAGVGL-HXUWFJFHSA-N 0 0 425.598 3.610 50 0 IHAARN Cn1ncc2c3ccccc3n(CCCC(=O)NCCc3c[nH]c4ccccc34)c2c1=O ZINC000035372351 527589884 /nfs/dbraw/zinc/58/98/84/527589884.db2.gz IVLFZBQAFKTTLS-UHFFFAOYSA-N 0 0 427.508 3.509 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Oc1ccc2c(c1)OCO2 ZINC000035304638 527617580 /nfs/dbraw/zinc/61/75/80/527617580.db2.gz CBRUMFUUIHGUEN-KPKJPENVSA-N 0 0 429.494 3.599 50 0 IHAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020739672 527617962 /nfs/dbraw/zinc/61/79/62/527617962.db2.gz WAPFZBLUULTEFR-UHFFFAOYSA-N 0 0 440.551 3.679 50 0 IHAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020733174 527657419 /nfs/dbraw/zinc/65/74/19/527657419.db2.gz GDIOIESIJHLVFH-HSZRJFAPSA-N 0 0 427.508 3.963 50 0 IHAARN O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289468 527666420 /nfs/dbraw/zinc/66/64/20/527666420.db2.gz HWZBSGMGMAZPIL-OAQYLSRUSA-N 0 0 433.600 3.531 50 0 IHAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c12 ZINC000012791515 527683309 /nfs/dbraw/zinc/68/33/09/527683309.db2.gz ODGUVAXRZGGQPC-ZIAGYGMSSA-N 0 0 442.589 3.718 50 0 IHAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(c4nsc5ccccc54)CC3)c12 ZINC000036616564 527684210 /nfs/dbraw/zinc/68/42/10/527684210.db2.gz IZOZSMXAGOEFPA-UHFFFAOYSA-N 0 0 432.553 3.726 50 0 IHAARN Cc1nn(C)cc1-c1nn(CC(=O)Nc2ccccc2C)c(-c2cn(C)nc2C)c1Cl ZINC000020636890 527688561 /nfs/dbraw/zinc/68/85/61/527688561.db2.gz GRALSHDXPDDOTJ-UHFFFAOYSA-N 0 0 437.935 3.901 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(OC)ccc32)ccc1Cl ZINC000010541922 535629284 /nfs/dbraw/zinc/62/92/84/535629284.db2.gz YGWZCNKOOMBRLG-UHFFFAOYSA-N 0 0 436.961 3.972 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccs1 ZINC000009616718 535994683 /nfs/dbraw/zinc/99/46/83/535994683.db2.gz QOMCFJXNKVSTHO-UHFFFAOYSA-N 0 0 429.571 3.594 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000009752320 536112459 /nfs/dbraw/zinc/11/24/59/536112459.db2.gz YNLIIWDLSRTBCL-QFIPXVFZSA-N 0 0 441.597 3.735 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc3cccnc32)c1 ZINC000009223624 536112507 /nfs/dbraw/zinc/11/25/07/536112507.db2.gz KBYFDWGEEYCIAP-UHFFFAOYSA-N 0 0 438.553 3.728 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000009287154 536637302 /nfs/dbraw/zinc/63/73/02/536637302.db2.gz DKTZDFGSLPAOJN-AWEZNQCLSA-N 0 0 447.329 3.668 50 0 IHAARN Cn1c2nc(SCc3cccc4ccccc43)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000000631565 555515237 /nfs/dbraw/zinc/51/52/37/555515237.db2.gz ULLONWZLINDJNK-UHFFFAOYSA-N 0 0 428.517 3.917 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 ZINC000000634929 555516696 /nfs/dbraw/zinc/51/66/96/555516696.db2.gz PBWYTMIUIBOSHS-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN O=S(=O)(c1ccc(I)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000644479 555519817 /nfs/dbraw/zinc/51/98/17/555519817.db2.gz SWOCOSAUWJGVQB-UHFFFAOYSA-N 0 0 441.334 3.935 50 0 IHAARN COc1ccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c2)cc1 ZINC000000652802 555523468 /nfs/dbraw/zinc/52/34/68/555523468.db2.gz XBRIPNGKMRKURJ-FQEVSTJZSA-N 0 0 426.366 3.695 50 0 IHAARN CCOc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)o2)cc1 ZINC000000653674 555524099 /nfs/dbraw/zinc/52/40/99/555524099.db2.gz QPFAWZZMIDBGTK-LJQANCHMSA-N 0 0 430.354 3.678 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)cc2)cc1 ZINC000000656085 555524725 /nfs/dbraw/zinc/52/47/25/555524725.db2.gz JTKVECYWJBMGGI-UHFFFAOYSA-N 0 0 430.570 3.992 50 0 IHAARN CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc5ccccc54)c(=O)c32)CO1 ZINC000000658402 555526052 /nfs/dbraw/zinc/52/60/52/555526052.db2.gz SKWSDKAJOKAIFF-QHCPKHFHSA-N 0 0 434.521 3.886 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000000661075 555526751 /nfs/dbraw/zinc/52/67/51/555526751.db2.gz VUEJCCDXKQUSKD-UHFFFAOYSA-N 0 0 442.512 3.520 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000664802 555528001 /nfs/dbraw/zinc/52/80/01/555528001.db2.gz SIWCTDIXRQWLJK-MOPGFXCFSA-N 0 0 438.549 3.982 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000000666433 555528628 /nfs/dbraw/zinc/52/86/28/555528628.db2.gz CKBOUXMZVRHVBS-INIZCTEOSA-N 0 0 439.306 3.667 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCn3cnc4ccccc4c3=O)n2)cc1OC ZINC000000669362 555530177 /nfs/dbraw/zinc/53/01/77/555530177.db2.gz KEMHHUBDDKUADO-UHFFFAOYSA-N 0 0 436.493 3.566 50 0 IHAARN COc1cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc(OC)c1OC(C)=O ZINC000000677526 555535644 /nfs/dbraw/zinc/53/56/44/555535644.db2.gz XANROQNXPKPLOY-SYZQJQIISA-N 0 0 437.782 3.905 50 0 IHAARN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1C ZINC000000687286 555540393 /nfs/dbraw/zinc/54/03/93/555540393.db2.gz CKOROIJSCHONAJ-UHFFFAOYSA-N 0 0 436.581 3.620 50 0 IHAARN COc1ccc(OC)c(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 ZINC000000707346 555545302 /nfs/dbraw/zinc/54/53/02/555545302.db2.gz DGOANQMJLNHLKM-UHFFFAOYSA-N 0 0 428.400 3.673 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000000708964 555546070 /nfs/dbraw/zinc/54/60/70/555546070.db2.gz PDOWGVZMOOIJJC-FQEVSTJZSA-N 0 0 427.526 3.621 50 0 IHAARN COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000000715767 555548634 /nfs/dbraw/zinc/54/86/34/555548634.db2.gz NEVIIVZKSNITKA-NBVRZTHBSA-N 0 0 429.314 3.851 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3ccccn31)C[C@@H](C)CC2 ZINC000000723996 555550775 /nfs/dbraw/zinc/55/07/75/555550775.db2.gz YYZIUMVIQKUMHB-LBPRGKRZSA-N 0 0 430.555 3.823 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000758761 555554153 /nfs/dbraw/zinc/55/41/53/555554153.db2.gz QRHOUMJWSIHSMR-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccco2)C(C)C)cc1 ZINC000000784738 555556076 /nfs/dbraw/zinc/55/60/76/555556076.db2.gz UDXDJYPBCCWPAA-NRFANRHFSA-N 0 0 435.480 3.934 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1 ZINC000000797258 555558369 /nfs/dbraw/zinc/55/83/69/555558369.db2.gz LWHGPELTPFWRJL-UHFFFAOYSA-N 0 0 438.933 3.800 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000824487 555564771 /nfs/dbraw/zinc/56/47/71/555564771.db2.gz LJSSGQAAFBBDCZ-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000833370 555566536 /nfs/dbraw/zinc/56/65/36/555566536.db2.gz OBGKPHLENDACNF-UHFFFAOYSA-N 0 0 436.961 3.993 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000857942 555571633 /nfs/dbraw/zinc/57/16/33/555571633.db2.gz NRXVFPBYXBHLSW-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000000879824 555576780 /nfs/dbraw/zinc/57/67/80/555576780.db2.gz DOGSWHCOANNELH-UHFFFAOYSA-N 0 0 438.427 3.810 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)cc1)N2 ZINC000000884718 555578709 /nfs/dbraw/zinc/57/87/09/555578709.db2.gz KJZRTLWCOAHVFA-FUHWJXTLSA-N 0 0 432.450 3.824 50 0 IHAARN CCOc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000888989 555579508 /nfs/dbraw/zinc/57/95/08/555579508.db2.gz ICVQJRXQVLLDHG-UHFFFAOYSA-N 0 0 425.510 3.623 50 0 IHAARN CCOC(=O)C1=C(COC(=O)CCc2c[nH]c3ccccc23)NC(=O)N[C@@H]1c1ccccc1 ZINC000009550184 555580283 /nfs/dbraw/zinc/58/02/83/555580283.db2.gz ZRHDDDSFBHNMCZ-HSZRJFAPSA-N 0 0 447.491 3.515 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000022627824 555581421 /nfs/dbraw/zinc/58/14/21/555581421.db2.gz VKTGNQKPYXFIKY-UHFFFAOYSA-N 0 0 427.545 3.738 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C ZINC000000915467 555583144 /nfs/dbraw/zinc/58/31/44/555583144.db2.gz UCMBETBXIJLYOU-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN CCOC(=O)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000000915240 555583146 /nfs/dbraw/zinc/58/31/46/555583146.db2.gz GLAVDTPDAMGENY-SANMLTNESA-N 0 0 429.472 3.724 50 0 IHAARN CCOC(=O)c1sc2ncn([C@@H](C)C(=O)OCc3ccccc3Cl)c(=O)c2c1C ZINC000000921168 555584657 /nfs/dbraw/zinc/58/46/57/555584657.db2.gz JOMBHXZDOMRMFP-LBPRGKRZSA-N 0 0 434.901 3.901 50 0 IHAARN CCn1c(=O)c2c(-c3ccc(Cl)cc3)csc2nc1SCC(=O)N1CCOCC1 ZINC000000947728 555588499 /nfs/dbraw/zinc/58/84/99/555588499.db2.gz GSSGEFYUYCCVLE-UHFFFAOYSA-N 0 0 449.985 3.749 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000947818 555588564 /nfs/dbraw/zinc/58/85/64/555588564.db2.gz ZTMLXHKKPRZFDP-IBGZPJMESA-N 0 0 428.535 3.511 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000000951585 555589335 /nfs/dbraw/zinc/58/93/35/555589335.db2.gz MCGURSLZGWGBEQ-STQMWFEESA-N 0 0 440.521 3.673 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1 ZINC000000983558 555594149 /nfs/dbraw/zinc/59/41/49/555594149.db2.gz ONGWFDGCOBIJQY-UHFFFAOYSA-N 0 0 444.940 3.514 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCC1=CCCCC1 ZINC000000983542 555594294 /nfs/dbraw/zinc/59/42/94/555594294.db2.gz LPMWCDCCLJCMOU-UHFFFAOYSA-N 0 0 428.554 3.551 50 0 IHAARN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)ccc1Cl ZINC000001008666 555601366 /nfs/dbraw/zinc/60/13/66/555601366.db2.gz FETFZAINHOSKLC-OVCLIPMQSA-N 0 0 434.857 3.703 50 0 IHAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl ZINC000001019716 555603425 /nfs/dbraw/zinc/60/34/25/555603425.db2.gz CKRJIMVKHPSCIZ-HOTGVXAUSA-N 0 0 430.835 3.971 50 0 IHAARN O=C1N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000001019919 555603468 /nfs/dbraw/zinc/60/34/68/555603468.db2.gz GGYOGWRQNSLJHA-CVEARBPZSA-N 0 0 441.734 3.715 50 0 IHAARN CCOC(=O)c1noc(C)c1-c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001031730 555606214 /nfs/dbraw/zinc/60/62/14/555606214.db2.gz WQNQAVOEQDNAKI-UHFFFAOYSA-N 0 0 426.903 3.911 50 0 IHAARN O=C(CSc1nncn1-c1ccc2c(c1)OCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000001035880 555608061 /nfs/dbraw/zinc/60/80/61/555608061.db2.gz LTOWKVPKVGTBHE-UHFFFAOYSA-N 0 0 436.415 3.788 50 0 IHAARN O=C(c1cccs1)c1nn(-c2ccc(Cl)cc2)c2nc(=O)c(Cc3ccccc3)nn12 ZINC000001035581 555608159 /nfs/dbraw/zinc/60/81/59/555608159.db2.gz ZIHPXFYIRDQHFI-UHFFFAOYSA-N 0 0 447.907 3.812 50 0 IHAARN COc1cc([C@H]2NC(=O)c3c(F)cccc3N2)c(Br)c(Br)c1O ZINC000001038011 555608752 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COc1cc(C(C)=O)ccc1OC(=O)c1cc2cc(Br)cc(OC)c2oc1=O ZINC000001070151 555620832 /nfs/dbraw/zinc/62/08/32/555620832.db2.gz PULIUDUIJJPHKL-UHFFFAOYSA-N 0 0 447.237 3.995 50 0 IHAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1C ZINC000001078799 555625650 /nfs/dbraw/zinc/62/56/50/555625650.db2.gz IXVBKSOYQALZBL-CYBMUJFWSA-N 0 0 443.338 3.998 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Cl)c1Cl ZINC000001119438 555636649 /nfs/dbraw/zinc/63/66/49/555636649.db2.gz WXQHYBLEIWRVNP-KRWDZBQOSA-N 0 0 431.283 3.916 50 0 IHAARN COC(=O)COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000001121892 555638546 /nfs/dbraw/zinc/63/85/46/555638546.db2.gz RILBAOUQDZHIAR-UHFFFAOYSA-N 0 0 437.945 3.535 50 0 IHAARN CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)cc1 ZINC000001127395 555642030 /nfs/dbraw/zinc/64/20/30/555642030.db2.gz FHWWUWTWCSHPPQ-UHFFFAOYSA-N 0 0 437.525 3.764 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(NC(=O)COc3ccccc3)s2)cc1 ZINC000001128750 555643179 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O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000001145922 555653278 /nfs/dbraw/zinc/65/32/78/555653278.db2.gz QVDGEJKTYHFDFP-HNNXBMFYSA-N 0 0 434.370 3.613 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1Cl ZINC000001148477 555654989 /nfs/dbraw/zinc/65/49/89/555654989.db2.gz AQWBYKPBNYMRGR-UHFFFAOYSA-N 0 0 444.940 3.879 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000001148358 555655008 /nfs/dbraw/zinc/65/50/08/555655008.db2.gz AHMPVQKUPHFBFA-UHFFFAOYSA-N 0 0 432.908 3.678 50 0 IHAARN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000001156717 555659296 /nfs/dbraw/zinc/65/92/96/555659296.db2.gz VDJYCNALKLYPGC-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccc(Cl)cc2)cc1 ZINC000001158559 555660487 /nfs/dbraw/zinc/66/04/87/555660487.db2.gz KPMYFGQURFPTED-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000001158530 555660558 /nfs/dbraw/zinc/66/05/58/555660558.db2.gz VJYWMVSGWJHIMF-UHFFFAOYSA-N 0 0 429.523 3.963 50 0 IHAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc(Br)c1O ZINC000001170938 555666449 /nfs/dbraw/zinc/66/64/49/555666449.db2.gz ONBLJPMYJKPZAU-VFZGTOFNSA-N 0 0 427.295 3.523 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001174264 555668583 /nfs/dbraw/zinc/66/85/83/555668583.db2.gz LPQUECGTAWIDKR-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000001174784 555669233 /nfs/dbraw/zinc/66/92/33/555669233.db2.gz OBXOCAHLMOTMRQ-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN Cn1c2nc(Oc3ccc(F)cc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000001181703 555672186 /nfs/dbraw/zinc/67/21/86/555672186.db2.gz WYJMBEWFROQMLX-UHFFFAOYSA-N 0 0 449.269 3.720 50 0 IHAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(Br)cn3)nc21 ZINC000001192059 555676123 /nfs/dbraw/zinc/67/61/23/555676123.db2.gz LLFJVUUUEJXLEL-UHFFFAOYSA-N 0 0 443.330 3.888 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Br)c1 ZINC000001200386 555678248 /nfs/dbraw/zinc/67/82/48/555678248.db2.gz CRWTYXLQYVTTOM-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001266890 555688704 /nfs/dbraw/zinc/68/87/04/555688704.db2.gz KJOAHNSAXRJEBV-UHFFFAOYSA-N 0 0 431.514 3.578 50 0 IHAARN CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001423130 555695680 /nfs/dbraw/zinc/69/56/80/555695680.db2.gz OHNYVWKWUZNOJT-FQEVSTJZSA-N 0 0 426.494 3.520 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc1 ZINC000001443121 555698131 /nfs/dbraw/zinc/69/81/31/555698131.db2.gz BRFGVCRGTVAGCX-FQEVSTJZSA-N 0 0 425.485 3.668 50 0 IHAARN O=C(c1ccco1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000001741806 555711780 /nfs/dbraw/zinc/71/17/80/555711780.db2.gz PHRHAUFOPNGKCR-UHFFFAOYSA-N 0 0 442.459 3.756 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001773769 555713742 /nfs/dbraw/zinc/71/37/42/555713742.db2.gz FMMULICEBVUPKK-OAHLLOKOSA-N 0 0 431.510 3.844 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889712 555726602 /nfs/dbraw/zinc/72/66/02/555726602.db2.gz TVAGHYGZYDXRSS-IBGZPJMESA-N 0 0 430.574 3.815 50 0 IHAARN CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002070701 555734798 /nfs/dbraw/zinc/73/47/98/555734798.db2.gz FBHJPCKCFIOHQF-INIZCTEOSA-N 0 0 441.322 3.867 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000002079184 555736900 /nfs/dbraw/zinc/73/69/00/555736900.db2.gz YSGZUVSZKSTKNE-LJQANCHMSA-N 0 0 448.313 3.638 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2)cc1OC ZINC000002179514 555753019 /nfs/dbraw/zinc/75/30/19/555753019.db2.gz AZJOZLIUVIZWDK-UHFFFAOYSA-N 0 0 448.585 3.696 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000002187541 555755633 /nfs/dbraw/zinc/75/56/33/555755633.db2.gz IIRJHLPJPLJDDW-UHFFFAOYSA-N 0 0 438.465 3.675 50 0 IHAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NC(=O)COc1ccc(C)cc1 ZINC000002220654 555759352 /nfs/dbraw/zinc/75/93/52/555759352.db2.gz NRFRKRXQLASGDG-UHFFFAOYSA-N 0 0 429.476 3.935 50 0 IHAARN CC(=O)Nc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 ZINC000002247278 555761810 /nfs/dbraw/zinc/76/18/10/555761810.db2.gz VYKLUJYOJVCWBB-UHFFFAOYSA-N 0 0 428.496 3.787 50 0 IHAARN COC(=O)c1ccc(Nc2nnc(-c3ccc(C(=O)NCCO)cc3)c3ccccc32)cc1 ZINC000002298450 555766604 /nfs/dbraw/zinc/76/66/04/555766604.db2.gz QEDJXTLJGQTACA-UHFFFAOYSA-N 0 0 442.475 3.549 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000002337371 555769968 /nfs/dbraw/zinc/76/99/68/555769968.db2.gz CBJDLGBZASFPDW-UHFFFAOYSA-N 0 0 448.508 3.671 50 0 IHAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002409506 555776713 /nfs/dbraw/zinc/77/67/13/555776713.db2.gz UGJAKTYBVXYWND-UHFFFAOYSA-N 0 0 426.889 3.761 50 0 IHAARN COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002418690 555777475 /nfs/dbraw/zinc/77/74/75/555777475.db2.gz JHKJBZNTUOWMEJ-UHFFFAOYSA-N 0 0 432.505 3.811 50 0 IHAARN O=C(CSC(=S)N1CCCCC1)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O ZINC000002435212 555778781 /nfs/dbraw/zinc/77/87/81/555778781.db2.gz HVJDJYQZRDPUMI-MRXNPFEDSA-N 0 0 440.594 3.832 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000002533326 555786144 /nfs/dbraw/zinc/78/61/44/555786144.db2.gz UVFVKMOMHPOSNK-BOPFTXTBSA-N 0 0 442.338 3.915 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nc2)cc1 ZINC000034667662 555791705 /nfs/dbraw/zinc/79/17/05/555791705.db2.gz HBGLCGUXQPDJJQ-UHFFFAOYSA-N 0 0 436.462 3.883 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc1 ZINC000034667710 555792143 /nfs/dbraw/zinc/79/21/43/555792143.db2.gz OSYUQFVCLSRJKC-UHFFFAOYSA-N 0 0 434.927 3.879 50 0 IHAARN O=C(Nc1ccc2c(c1)CCC2)c1coc(CN2CCN(Cc3ccccc3F)CC2)n1 ZINC000034678088 555796486 /nfs/dbraw/zinc/79/64/86/555796486.db2.gz XIUGFBPGKZDZEO-UHFFFAOYSA-N 0 0 434.515 3.873 50 0 IHAARN Cc1nn(C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1Br ZINC000002709716 555801103 /nfs/dbraw/zinc/80/11/03/555801103.db2.gz RSLLZHICSMCZKH-GOSISDBHSA-N 0 0 429.314 3.933 50 0 IHAARN CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000002739491 555807068 /nfs/dbraw/zinc/80/70/68/555807068.db2.gz QIGBZBFBFBVYNB-AWEZNQCLSA-N 0 0 427.501 3.934 50 0 biogenic IHAARN COc1cccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccccc2C)c1 ZINC000034693926 555808604 /nfs/dbraw/zinc/80/86/04/555808604.db2.gz OUMOAJYCENSYGA-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3)CC(=O)N2)cc1Br ZINC000002746290 555808816 /nfs/dbraw/zinc/80/88/16/555808816.db2.gz GJPPHSQMFGQIII-HNNXBMFYSA-N 0 0 448.342 3.747 50 0 IHAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC000002761979 555812726 /nfs/dbraw/zinc/81/27/26/555812726.db2.gz RZGZEMDYAJOAHD-UHFFFAOYSA-N 0 0 427.302 3.929 50 0 IHAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COc1ccc2ccccc2c1 ZINC000002764862 555813703 /nfs/dbraw/zinc/81/37/03/555813703.db2.gz LJUYYMQTZHTJCL-UHFFFAOYSA-N 0 0 426.494 3.716 50 0 IHAARN Cc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002817131 555828821 /nfs/dbraw/zinc/82/88/21/555828821.db2.gz MYICDTQKSIVERJ-UHFFFAOYSA-N 0 0 426.513 3.641 50 0 IHAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002838271 555834108 /nfs/dbraw/zinc/83/41/08/555834108.db2.gz IHEVJXJYANAFOP-IRXDYDNUSA-N 0 0 437.569 3.759 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002853915 555840801 /nfs/dbraw/zinc/84/08/01/555840801.db2.gz HBJBMFXFGQJONW-MRXNPFEDSA-N 0 0 427.309 3.620 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002856960 555842057 /nfs/dbraw/zinc/84/20/57/555842057.db2.gz RHYLCNRQJMTVOR-UHFFFAOYSA-N 0 0 432.304 3.671 50 0 IHAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 ZINC000002881474 555855599 /nfs/dbraw/zinc/85/55/99/555855599.db2.gz KQUQDZSTAKVWKX-UHFFFAOYSA-N 0 0 446.345 3.687 50 0 IHAARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000002886221 555858050 /nfs/dbraw/zinc/85/80/50/555858050.db2.gz SCEJZGFQTHGARU-UHFFFAOYSA-N 0 0 430.570 3.871 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 ZINC000010544936 555863533 /nfs/dbraw/zinc/86/35/33/555863533.db2.gz LTNYKVHNYZNRRM-GCJKJVERSA-N 0 0 434.540 3.732 50 0 IHAARN COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1O ZINC000002929818 555864168 /nfs/dbraw/zinc/86/41/68/555864168.db2.gz WLAIBCFIHYVHSC-AUWJEWJLSA-N 0 0 437.677 3.910 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000002978515 555870586 /nfs/dbraw/zinc/87/05/86/555870586.db2.gz AWQHVHHKLYHAJX-UHFFFAOYSA-N 0 0 447.409 3.976 50 0 IHAARN Cc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002982648 555873144 /nfs/dbraw/zinc/87/31/44/555873144.db2.gz GTENPDVTRCPRHO-UHFFFAOYSA-N 0 0 426.513 3.954 50 0 IHAARN Cc1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000002992581 555875452 /nfs/dbraw/zinc/87/54/52/555875452.db2.gz AAGVDDQADUWQFP-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 ZINC000002997903 555876707 /nfs/dbraw/zinc/87/67/07/555876707.db2.gz XYHNUKJSDFXKMC-QFIPXVFZSA-N 0 0 446.459 3.894 50 0 IHAARN CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000003017621 555881109 /nfs/dbraw/zinc/88/11/09/555881109.db2.gz PEXDAMXBXOUPMS-UHFFFAOYSA-N 0 0 437.565 3.528 50 0 IHAARN CCOC(=O)c1c(C)csc1NC(=O)CC(=O)Nc1scc(C)c1C(=O)OCC ZINC000003126540 555889654 /nfs/dbraw/zinc/88/96/54/555889654.db2.gz GPEWVLNKZVZNMZ-UHFFFAOYSA-N 0 0 438.527 3.747 50 0 IHAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl ZINC000003130658 555890233 /nfs/dbraw/zinc/89/02/33/555890233.db2.gz MAMSWEAFBKFVQI-CQSZACIVSA-N 0 0 440.780 3.618 50 0 IHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)c(F)c3)C2=O)cc1)N1CCOCC1 ZINC000034761005 555904206 /nfs/dbraw/zinc/90/42/06/555904206.db2.gz XPLKLIHQEBYACZ-UNOMPAQXSA-N 0 0 444.459 3.674 50 0 IHAARN COc1ccc(-c2ccc3nc(C(=O)NCCc4ccc(OC)c(OC)c4)cn3c2)cc1 ZINC000034831041 555912296 /nfs/dbraw/zinc/91/22/96/555912296.db2.gz IXDTWZKOGYEYPG-UHFFFAOYSA-N 0 0 431.492 4.000 50 0 IHAARN COc1cccc(N2CCN(c3nnc(C(=O)NCCC(C)C)c4ccccc43)CC2)c1 ZINC000034839577 555914818 /nfs/dbraw/zinc/91/48/18/555914818.db2.gz RSFQMGGFBVFQEA-UHFFFAOYSA-N 0 0 433.556 3.741 50 0 IHAARN CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855765 555924248 /nfs/dbraw/zinc/92/42/48/555924248.db2.gz LGAQGASBHADERR-MWTRTKDXSA-N 0 0 427.545 3.519 50 0 IHAARN CCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630543 555941487 /nfs/dbraw/zinc/94/14/87/555941487.db2.gz AKUVVNKLSNUFNJ-VXKWHMMOSA-N 0 0 426.513 3.539 50 0 IHAARN CCCOc1ccc([C@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000003669238 555945360 /nfs/dbraw/zinc/94/53/60/555945360.db2.gz RUSVMJBSXCMMOV-OAQYLSRUSA-N 0 0 426.538 3.977 50 0 IHAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)NCc1ccc2c(c1)OCO2 ZINC000004101512 555962247 /nfs/dbraw/zinc/96/22/47/555962247.db2.gz OHSOARUQCSXVOH-NRFANRHFSA-N 0 0 436.489 3.895 50 0 IHAARN CN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000004123021 555965774 /nfs/dbraw/zinc/96/57/74/555965774.db2.gz UHCJTRPBZYPXJH-NRFANRHFSA-N 0 0 425.282 3.677 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2noc(C)n2)c1C ZINC000010562241 556068940 /nfs/dbraw/zinc/06/89/40/556068940.db2.gz QLNJHYAGKCRVHO-CQSZACIVSA-N 0 0 425.441 3.533 50 0 IHAARN Cc1cc(OS(=O)(=O)c2ccc(I)cc2)c2ccccc2n1 ZINC000006244535 556082318 /nfs/dbraw/zinc/08/23/18/556082318.db2.gz FREFFUSCQMHHQO-UHFFFAOYSA-N 0 0 425.247 3.916 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000006697068 556101618 /nfs/dbraw/zinc/10/16/18/556101618.db2.gz MDTDJDDJLUKRIA-UHFFFAOYSA-N 0 0 428.982 3.542 50 0 IHAARN O=C(Nn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1COc1ccc(F)cc1F ZINC000002790053 556139381 /nfs/dbraw/zinc/13/93/81/556139381.db2.gz OGZIWAWYNPOUBC-UHFFFAOYSA-N 0 0 439.443 3.926 50 0 IHAARN Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1nn(Cc2ccccc2)cc1Cl ZINC000002802282 556142480 /nfs/dbraw/zinc/14/24/80/556142480.db2.gz KDOPWVXWJYNISU-UHFFFAOYSA-N 0 0 439.928 3.563 50 0 IHAARN Cc1nn(C)c(C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)c1Br ZINC000002808431 556146637 /nfs/dbraw/zinc/14/66/37/556146637.db2.gz YUJGVXSPFZUNAB-UHFFFAOYSA-N 0 0 444.362 3.581 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CS(=O)(=O)C3)cc1 ZINC000003008534 556154990 /nfs/dbraw/zinc/15/49/90/556154990.db2.gz KNEXTYDKMBJUIA-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1c(F)cccc1Cl ZINC000003009001 556155187 /nfs/dbraw/zinc/15/51/87/556155187.db2.gz VFVDHBFYSYWMMJ-UHFFFAOYSA-N 0 0 440.283 3.999 50 0 IHAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000003008968 556155264 /nfs/dbraw/zinc/15/52/64/556155264.db2.gz CPPCEVXXQJGBPU-UHFFFAOYSA-N 0 0 431.901 3.605 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000008383757 556159478 /nfs/dbraw/zinc/15/94/78/556159478.db2.gz HJVJNMRZYCZMLA-XLIONFOSSA-N 0 0 437.492 3.728 50 0 IHAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2O)C(Cl)(Cl)Cl)cc1 ZINC000003039775 556162726 /nfs/dbraw/zinc/16/27/26/556162726.db2.gz NBOKTFIRWLENAK-OAHLLOKOSA-N 0 0 448.759 3.814 50 0 IHAARN Cc1ccc(C)c(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2cc(C)ccc2C)c1 ZINC000008400228 556165984 /nfs/dbraw/zinc/16/59/84/556165984.db2.gz FUGXZDRQTPNBAF-VXKWHMMOSA-N 0 0 438.568 3.922 50 0 IHAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(F)c2)n2nc(CCCO)nc2N1 ZINC000008437153 556173684 /nfs/dbraw/zinc/17/36/84/556173684.db2.gz HHZPPIPHIGKKIS-FQEVSTJZSA-N 0 0 441.894 3.923 50 0 IHAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Br)c2)cc1 ZINC000008440552 556176489 /nfs/dbraw/zinc/17/64/89/556176489.db2.gz RFFJGOJEJUPZMQ-SFHVURJKSA-N 0 0 431.286 3.829 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008591125 556188949 /nfs/dbraw/zinc/18/89/49/556188949.db2.gz QOZYLRMIRGWGKN-KRWDZBQOSA-N 0 0 430.390 3.628 50 0 IHAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 ZINC000008591873 556189275 /nfs/dbraw/zinc/18/92/75/556189275.db2.gz ZBBSIZWOMQZSIB-FQEVSTJZSA-N 0 0 436.418 3.726 50 0 IHAARN CCCCN1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000008636568 556194397 /nfs/dbraw/zinc/19/43/97/556194397.db2.gz LKSSOJMVTGBRIR-UHFFFAOYSA-N 0 0 440.503 3.802 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2nc(N)n[nH]2)cc1 ZINC000008685887 556199913 /nfs/dbraw/zinc/19/99/13/556199913.db2.gz HOYFLSGPNXEBOT-RTBURBONSA-N 0 0 437.550 3.715 50 0 IHAARN CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000008784368 556215279 /nfs/dbraw/zinc/21/52/79/556215279.db2.gz VNVJYSAWHHDJHD-HUUCEWRRSA-N 0 0 448.552 3.879 50 0 IHAARN Cc1nnc(SCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000008814351 556217131 /nfs/dbraw/zinc/21/71/31/556217131.db2.gz CJSUGYAZKAXWLF-UHFFFAOYSA-N 0 0 434.568 3.687 50 0 IHAARN O=C(NCCOCc1ccccc1)c1cccc(C(=O)NCCOCc2ccccc2)c1 ZINC000008856937 556227697 /nfs/dbraw/zinc/22/76/97/556227697.db2.gz BWGQEZXSILSZDA-UHFFFAOYSA-N 0 0 432.520 3.580 50 0 IHAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868525 556228702 /nfs/dbraw/zinc/22/87/02/556228702.db2.gz VOBWGLLSVCQQNQ-GFCCVEGCSA-N 0 0 446.019 3.523 50 0 IHAARN CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008921616 556233379 /nfs/dbraw/zinc/23/33/79/556233379.db2.gz OWUGIPWYYWMDMA-HXUWFJFHSA-N 0 0 449.288 3.899 50 0 IHAARN O=C(C[C@@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000008922503 556233848 /nfs/dbraw/zinc/23/38/48/556233848.db2.gz NCOMPZRTNOFLDI-AREMUKBSSA-N 0 0 429.472 3.855 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)cc1OC ZINC000008990524 556238654 /nfs/dbraw/zinc/23/86/54/556238654.db2.gz ASDYZCUDUJIBFQ-SANMLTNESA-N 0 0 447.487 3.590 50 0 IHAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1 ZINC000097568045 556248167 /nfs/dbraw/zinc/24/81/67/556248167.db2.gz IHYMOLOMPSCXON-JNLAIUADSA-N 0 0 441.535 3.706 50 0 IHAARN Cc1cn2c3c(nc2n1-c1cc(C)ccc1C)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097574794 556250612 /nfs/dbraw/zinc/25/06/12/556250612.db2.gz XQHJQEBYTJHDDE-FLIBITNWSA-N 0 0 439.519 3.777 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000009191562 556253760 /nfs/dbraw/zinc/25/37/60/556253760.db2.gz UJQMKARCEIESJG-IBGZPJMESA-N 0 0 438.534 3.682 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197199 556255297 /nfs/dbraw/zinc/25/52/97/556255297.db2.gz SZOCQUQPMLFMIZ-MSOLQXFVSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009197489 556255665 /nfs/dbraw/zinc/25/56/65/556255665.db2.gz UDRVOIRHPWJGGO-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c(OC)c1 ZINC000009198949 556256803 /nfs/dbraw/zinc/25/68/03/556256803.db2.gz QEYQJFIAVHVCQV-OAHLLOKOSA-N 0 0 441.915 3.868 50 0 IHAARN O=C(COc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC000009232188 556261722 /nfs/dbraw/zinc/26/17/22/556261722.db2.gz AEAZKGOLVAGODE-UHFFFAOYSA-N 0 0 438.593 3.554 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000009238594 556264734 /nfs/dbraw/zinc/26/47/34/556264734.db2.gz XLOQVJDZDFNLSW-ROUUACIJSA-N 0 0 429.933 3.955 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009238923 556265263 /nfs/dbraw/zinc/26/52/63/556265263.db2.gz PTWQQJZRDHQBRP-UXHICEINSA-N 0 0 439.541 3.782 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)[nH]2)cc1 ZINC000009261686 556269240 /nfs/dbraw/zinc/26/92/40/556269240.db2.gz IKRFKIQRKALCPM-UHFFFAOYSA-N 0 0 440.525 3.700 50 0 IHAARN CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O ZINC000009262768 556269835 /nfs/dbraw/zinc/26/98/35/556269835.db2.gz PHHSGWCWJLOQLQ-WOJGMQOQSA-N 0 0 430.457 3.908 50 0 IHAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009289324 556273789 /nfs/dbraw/zinc/27/37/89/556273789.db2.gz RQSUOCZBYWLCDC-UHFFFAOYSA-N 0 0 436.489 3.859 50 0 IHAARN CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000013683453 556274611 /nfs/dbraw/zinc/27/46/11/556274611.db2.gz UMPVEOOKOJMKPZ-FQEVSTJZSA-N 0 0 432.524 3.536 50 0 IHAARN COc1ccc(-c2cc(NC(=O)/C=C/c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013685346 556275845 /nfs/dbraw/zinc/27/58/45/556275845.db2.gz CTDZRTSYTMZKKS-UBIUBJKMSA-N 0 0 437.521 3.570 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCc1ccccn1 ZINC000013687341 556277096 /nfs/dbraw/zinc/27/70/96/556277096.db2.gz CBRAFOMUEJRVNZ-UHFFFAOYSA-N 0 0 432.311 3.505 50 0 IHAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000013691428 556280580 /nfs/dbraw/zinc/28/05/80/556280580.db2.gz FQGOZMWKIKTTKU-UHFFFAOYSA-N 0 0 428.422 3.744 50 0 IHAARN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)c(C)c1 ZINC000009322991 556281462 /nfs/dbraw/zinc/28/14/62/556281462.db2.gz ZWIXPOLRCAWGTG-YXHQGMJNSA-N 0 0 429.450 3.639 50 0 IHAARN CC(C)CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)c1ccc(Cl)nc1)n2C ZINC000013692632 556282224 /nfs/dbraw/zinc/28/22/24/556282224.db2.gz DQANQGJSKKDXJN-UHFFFAOYSA-N 0 0 427.936 3.969 50 0 IHAARN COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000013692805 556282590 /nfs/dbraw/zinc/28/25/90/556282590.db2.gz RNQZCBGGSRTSPC-ROUUACIJSA-N 0 0 436.986 3.619 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(Br)cc1 ZINC000013693198 556282599 /nfs/dbraw/zinc/28/25/99/556282599.db2.gz LMCHMMUMWHCXEK-UHFFFAOYSA-N 0 0 442.313 3.903 50 0 IHAARN COc1ccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013692940 556282636 /nfs/dbraw/zinc/28/26/36/556282636.db2.gz MKBKTMYGTOKXEQ-UHFFFAOYSA-N 0 0 433.936 3.724 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000009358762 556285338 /nfs/dbraw/zinc/28/53/38/556285338.db2.gz LWGZQLJNSMQDIE-HXUWFJFHSA-N 0 0 443.544 3.961 50 0 IHAARN COc1cc([C@@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(C)=O ZINC000009403381 556287808 /nfs/dbraw/zinc/28/78/08/556287808.db2.gz DBZYQZNFXUYSMG-IBGZPJMESA-N 0 0 444.871 3.897 50 0 IHAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CC2)cc1OC ZINC000013719950 556288978 /nfs/dbraw/zinc/28/89/78/556288978.db2.gz IFUSZGUTQBEVSQ-QFIPXVFZSA-N 0 0 428.554 3.705 50 0 IHAARN O=C(C[C@@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013721060 556289892 /nfs/dbraw/zinc/28/98/92/556289892.db2.gz RBWZJIMRIKDJSK-QHCPKHFHSA-N 0 0 440.503 3.720 50 0 IHAARN CC(C)[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000013720882 556290059 /nfs/dbraw/zinc/29/00/59/556290059.db2.gz CPBNLIHBFKCVBZ-ILBGXUMGSA-N 0 0 430.548 3.809 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000009487231 556294486 /nfs/dbraw/zinc/29/44/86/556294486.db2.gz VSQLJGCEYQPPSN-FQEVSTJZSA-N 0 0 426.538 3.515 50 0 IHAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000013730404 556295038 /nfs/dbraw/zinc/29/50/38/556295038.db2.gz QPTMIVNZDZDLHL-UHFFFAOYSA-N 0 0 435.509 3.893 50 0 IHAARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000013730402 556295113 /nfs/dbraw/zinc/29/51/13/556295113.db2.gz NUNSYMMDKWBLQK-OFNKIYASSA-N 0 0 448.548 3.661 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCc2cc3c(c(Cl)c2)OCO3)C(C)C)c1 ZINC000032739498 556300046 /nfs/dbraw/zinc/30/00/46/556300046.db2.gz VBFHJZFVYGIBAP-LJQANCHMSA-N 0 0 449.887 3.584 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3ccccc3C)CC1)O[C@@H](C)C2 ZINC000032741043 556302484 /nfs/dbraw/zinc/30/24/84/556302484.db2.gz JAVOYNGEAVQOTK-SFHVURJKSA-N 0 0 436.552 3.886 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(C)cc2)c(OC)cc1Cl ZINC000009668287 556305283 /nfs/dbraw/zinc/30/52/83/556305283.db2.gz QFWUBEWPVRVCOX-IBGZPJMESA-N 0 0 440.891 3.580 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c1C ZINC000009830272 556310430 /nfs/dbraw/zinc/31/04/30/556310430.db2.gz IKWDDVKJUHAMER-HXUWFJFHSA-N 0 0 448.519 3.905 50 0 IHAARN COC(=O)CSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000013804028 556310796 /nfs/dbraw/zinc/31/07/96/556310796.db2.gz SXCULIBRHRNENF-UHFFFAOYSA-N 0 0 444.582 3.956 50 0 IHAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000009830449 556311022 /nfs/dbraw/zinc/31/10/22/556311022.db2.gz STDZESKSBZKFDL-SJLPKXTDSA-N 0 0 442.516 3.619 50 0 IHAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000032745115 556314425 /nfs/dbraw/zinc/31/44/25/556314425.db2.gz NXXHZTKVAVPVRV-UHFFFAOYSA-N 0 0 432.867 3.941 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)c1 ZINC000009934240 556317883 /nfs/dbraw/zinc/31/78/83/556317883.db2.gz PDQXMWXAWPBJDA-FQEVSTJZSA-N 0 0 437.496 3.746 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 ZINC000009934086 556317960 /nfs/dbraw/zinc/31/79/60/556317960.db2.gz MXENDMXHIPTTTB-OAQYLSRUSA-N 0 0 432.455 3.895 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000032759936 556320232 /nfs/dbraw/zinc/32/02/32/556320232.db2.gz CZZCVEPQGNXZID-OAQYLSRUSA-N 0 0 446.551 3.572 50 0 IHAARN CCc1ccc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)cc1 ZINC000032759140 556324927 /nfs/dbraw/zinc/32/49/27/556324927.db2.gz GWYKHGHDYCZXIK-QFIPXVFZSA-N 0 0 447.553 3.860 50 0 IHAARN COc1cc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)cc1Cl ZINC000013880278 556325720 /nfs/dbraw/zinc/32/57/20/556325720.db2.gz MQBIDHBHKKKOIO-UHFFFAOYSA-N 0 0 449.960 3.601 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCC3)cc2)cc1OC ZINC000013896706 556329592 /nfs/dbraw/zinc/32/95/92/556329592.db2.gz BPWIQXMOHVHOCT-UHFFFAOYSA-N 0 0 446.569 3.982 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCc2sccc2[C@H]1C ZINC000032764765 556331887 /nfs/dbraw/zinc/33/18/87/556331887.db2.gz QDNKOTDMAHBVRM-OAHLLOKOSA-N 0 0 432.615 3.877 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccnn3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000032772421 556335290 /nfs/dbraw/zinc/33/52/90/556335290.db2.gz BWJMJEGLDNWPAY-QGZVFWFLSA-N 0 0 438.915 3.975 50 0 IHAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 ZINC000013944459 556341699 /nfs/dbraw/zinc/34/16/99/556341699.db2.gz QNNCJXCSRINCQE-CQSZACIVSA-N 0 0 440.550 3.798 50 0 IHAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013949348 556344144 /nfs/dbraw/zinc/34/41/44/556344144.db2.gz OXRROBCRJPJVIQ-GJZGRUSLSA-N 0 0 426.535 3.578 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000011702401 556347323 /nfs/dbraw/zinc/34/73/23/556347323.db2.gz PRQMNMMOILQFGM-HSZRJFAPSA-N 0 0 429.538 3.856 50 0 IHAARN CCCC[C@@H](CC(=O)OCC)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011760343 556349416 /nfs/dbraw/zinc/34/94/16/556349416.db2.gz HZDLYRJDXRNXET-FQEVSTJZSA-N 0 0 444.572 3.708 50 0 IHAARN CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000013987760 556352521 /nfs/dbraw/zinc/35/25/21/556352521.db2.gz UEEJNKWBOVQHSB-UHFFFAOYSA-N 0 0 433.599 3.624 50 0 IHAARN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789777 556355308 /nfs/dbraw/zinc/35/53/08/556355308.db2.gz RYXGTXZXFKJKCG-YCRPNKLZSA-N 0 0 436.462 3.936 50 0 IHAARN COc1cc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OCC(N)=O ZINC000014015275 556355469 /nfs/dbraw/zinc/35/54/69/556355469.db2.gz QNKRNBNNALOLAP-SECBINFHSA-N 0 0 445.274 3.505 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)c1C ZINC000011815380 556358473 /nfs/dbraw/zinc/35/84/73/556358473.db2.gz GDGYIHFZBOXEDI-MRXNPFEDSA-N 0 0 430.476 3.691 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000014070410 556360823 /nfs/dbraw/zinc/36/08/23/556360823.db2.gz MQAFBJZQSOSANW-DEOSSOPVSA-N 0 0 448.563 3.906 50 0 IHAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000032796595 556362200 /nfs/dbraw/zinc/36/22/00/556362200.db2.gz QDBLMJGHKDNJMN-GOSISDBHSA-N 0 0 430.570 3.949 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032796662 556362509 /nfs/dbraw/zinc/36/25/09/556362509.db2.gz SPBNMPOZHAIIGR-UHFFFAOYSA-N 0 0 428.420 3.669 50 0 IHAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1csc(-c2ccccc2)n1 ZINC000032796921 556362787 /nfs/dbraw/zinc/36/27/87/556362787.db2.gz WTWXCFSDWZRZPB-AWEZNQCLSA-N 0 0 444.534 3.523 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032802754 556365017 /nfs/dbraw/zinc/36/50/17/556365017.db2.gz KBUJGUMENUAJDA-XMMPIXPASA-N 0 0 428.492 3.965 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000014094790 556366439 /nfs/dbraw/zinc/36/64/39/556366439.db2.gz DHTYOHWEEDLCAH-HZPDHXFCSA-N 0 0 429.542 3.564 50 0 IHAARN COc1ccc(OCCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)cc1 ZINC000032806439 556368580 /nfs/dbraw/zinc/36/85/80/556368580.db2.gz QNDIQIVVKWERKD-UHFFFAOYSA-N 0 0 428.558 3.640 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000014116511 556370881 /nfs/dbraw/zinc/37/08/81/556370881.db2.gz MCUNCKIFISGAQV-UHFFFAOYSA-N 0 0 432.568 3.570 50 0 IHAARN COc1ccccc1C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914229 556376169 /nfs/dbraw/zinc/37/61/69/556376169.db2.gz DXXNGAGZFRSKQP-GOSISDBHSA-N 0 0 443.496 3.924 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc(OC)c1 ZINC000014139643 556376244 /nfs/dbraw/zinc/37/62/44/556376244.db2.gz DAHRYGGICOTKMP-IYBDPMFKSA-N 0 0 432.542 3.623 50 0 IHAARN O=C(C(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1)c1ccco1 ZINC000011933330 556376828 /nfs/dbraw/zinc/37/68/28/556376828.db2.gz NRRGBZRTCSTFSZ-FQEVSTJZSA-N 0 0 428.504 3.521 50 0 IHAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1cccc(N2CCCC2=O)c1 ZINC000014141926 556377246 /nfs/dbraw/zinc/37/72/46/556377246.db2.gz ZVMHMLFZBOVUOB-IBGZPJMESA-N 0 0 437.477 3.684 50 0 IHAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1cccc(N2CCCC2=O)c1 ZINC000014141927 556377301 /nfs/dbraw/zinc/37/73/01/556377301.db2.gz ZVMHMLFZBOVUOB-LJQANCHMSA-N 0 0 437.477 3.684 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000014166345 556379808 /nfs/dbraw/zinc/37/98/08/556379808.db2.gz QKKDMTOUOGEHQT-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CC(C)OC(=O)C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccccc1Cl ZINC000014166396 556379838 /nfs/dbraw/zinc/37/98/38/556379838.db2.gz KFHUZNPEUNCPAG-LJQANCHMSA-N 0 0 437.968 3.861 50 0 IHAARN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)C2(c4ccccc4)CC2)CC3)c1 ZINC000011965978 556381916 /nfs/dbraw/zinc/38/19/16/556381916.db2.gz RVSBAJRWXZMEOL-QHCPKHFHSA-N 0 0 432.564 3.714 50 0 IHAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C2CCOCC2)C3)c1 ZINC000011974685 556382951 /nfs/dbraw/zinc/38/29/51/556382951.db2.gz TUWIHTLWIYQRTH-IBGZPJMESA-N 0 0 429.900 3.640 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)cc1 ZINC000014183942 556383654 /nfs/dbraw/zinc/38/36/54/556383654.db2.gz HRBFKEUJQNPPLB-NRFANRHFSA-N 0 0 444.622 3.977 50 0 IHAARN CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000014184179 556384042 /nfs/dbraw/zinc/38/40/42/556384042.db2.gz FBYYJDOMFGTPMO-SFHVURJKSA-N 0 0 427.551 3.722 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000014183952 556384121 /nfs/dbraw/zinc/38/41/21/556384121.db2.gz GJFKEZLMYJMSEC-OKILXGFUSA-N 0 0 433.401 3.899 50 0 IHAARN Cc1c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)sc2nc3n(c(=O)c12)CCC3 ZINC000014184350 556384467 /nfs/dbraw/zinc/38/44/67/556384467.db2.gz SANPCSCYEOMKRD-UHFFFAOYSA-N 0 0 442.884 3.773 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 ZINC000014184932 556385210 /nfs/dbraw/zinc/38/52/10/556385210.db2.gz DUQBIAXHKUPLLR-JLCFBVMHSA-N 0 0 427.501 3.510 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)cc1C ZINC000014190283 556387768 /nfs/dbraw/zinc/38/77/68/556387768.db2.gz LXUAHDPGUJZDJF-KRWDZBQOSA-N 0 0 432.611 3.912 50 0 IHAARN COc1cccc(CN2C[C@@H](C(=O)N3CCC(OCc4ccccc4)CC3)CCC2=O)c1 ZINC000012031580 556388935 /nfs/dbraw/zinc/38/89/35/556388935.db2.gz AMLXPUKLPJFZRP-QFIPXVFZSA-N 0 0 436.552 3.642 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000014197525 556389091 /nfs/dbraw/zinc/38/90/91/556389091.db2.gz DLWUUWHOWJENBQ-HNNXBMFYSA-N 0 0 429.480 3.790 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000014197526 556389137 /nfs/dbraw/zinc/38/91/37/556389137.db2.gz DLWUUWHOWJENBQ-OAHLLOKOSA-N 0 0 429.480 3.790 50 0 IHAARN CS(=O)(=O)N(CC(=O)OCc1ccccc1Br)c1cccc(Cl)c1 ZINC000014199806 556390512 /nfs/dbraw/zinc/39/05/12/556390512.db2.gz OICDDQUVXWZFCC-UHFFFAOYSA-N 0 0 432.723 3.612 50 0 IHAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014201713 556391979 /nfs/dbraw/zinc/39/19/79/556391979.db2.gz BSJWLUWKCUJEAB-LJQANCHMSA-N 0 0 448.548 3.517 50 0 IHAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014201714 556391982 /nfs/dbraw/zinc/39/19/82/556391982.db2.gz BSJWLUWKCUJEAB-IBGZPJMESA-N 0 0 448.548 3.517 50 0 IHAARN CCc1ccc(CN(C)Cn2nc3ccc(S(=O)(=O)N(CC)CC)cn3c2=S)cc1 ZINC000014201599 556391987 /nfs/dbraw/zinc/39/19/87/556391987.db2.gz HPNLNFKFTNKXGC-UHFFFAOYSA-N 0 0 447.630 3.548 50 0 IHAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032818726 556393268 /nfs/dbraw/zinc/39/32/68/556393268.db2.gz NVUZRWYLOQGFMG-OAHLLOKOSA-N 0 0 443.500 3.884 50 0 IHAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032818727 556393292 /nfs/dbraw/zinc/39/32/92/556393292.db2.gz NVUZRWYLOQGFMG-HNNXBMFYSA-N 0 0 443.500 3.884 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012076476 556397815 /nfs/dbraw/zinc/39/78/15/556397815.db2.gz UAMCTAAUPPAJPC-JOCHJYFZSA-N 0 0 437.565 3.988 50 0 IHAARN COc1ccc(Cn2nnnc2SC[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000014238348 556400362 /nfs/dbraw/zinc/40/03/62/556400362.db2.gz DPINUIHTJIANJN-ZDUSSCGKSA-N 0 0 441.340 3.569 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@H](C)O1 ZINC000014240866 556401543 /nfs/dbraw/zinc/40/15/43/556401543.db2.gz CZUZQERKCQBADL-IRXDYDNUSA-N 0 0 446.594 3.627 50 0 IHAARN COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)C ZINC000014244965 556404706 /nfs/dbraw/zinc/40/47/06/556404706.db2.gz XYNPYMCMQINETF-SXGWCWSVSA-N 0 0 427.453 3.853 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCS[C@H](c3ccc4c(c3)OCO4)CC2)cc1F ZINC000219260086 556406366 /nfs/dbraw/zinc/40/63/66/556406366.db2.gz JLZXQFIDWOIRDB-FQEVSTJZSA-N 0 0 439.530 3.822 50 0 IHAARN COCc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012571380 556408482 /nfs/dbraw/zinc/40/84/82/556408482.db2.gz CNWUWKQNIRFKBX-UHFFFAOYSA-N 0 0 448.552 3.522 50 0 IHAARN COc1cccc(CNC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1 ZINC000032616653 556409043 /nfs/dbraw/zinc/40/90/43/556409043.db2.gz SKBYPOQJMOWYFW-UHFFFAOYSA-N 0 0 445.928 3.844 50 0 IHAARN COc1ccc(NC(=O)Cn2c3sc(C)nc3c(-c3cccs3)nc2=O)c(OC)c1 ZINC000032615835 556409362 /nfs/dbraw/zinc/40/93/62/556409362.db2.gz CDLUOOJZDNBGJN-UHFFFAOYSA-N 0 0 442.522 3.546 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622248 556409623 /nfs/dbraw/zinc/40/96/23/556409623.db2.gz VUUGVPXPTUOVTD-DEOSSOPVSA-N 0 0 446.547 3.986 50 0 IHAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1 ZINC000032827849 556411432 /nfs/dbraw/zinc/41/14/32/556411432.db2.gz MBWKUXGPCISNNT-KRWDZBQOSA-N 0 0 428.496 3.507 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000032820384 556412192 /nfs/dbraw/zinc/41/21/92/556412192.db2.gz AGQIYZMTSYIATD-UHFFFAOYSA-N 0 0 447.516 3.948 50 0 IHAARN O=C(CN1CCc2ccccc21)N(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032642698 556412272 /nfs/dbraw/zinc/41/22/72/556412272.db2.gz OTPUKEYTRYVJDQ-UHFFFAOYSA-N 0 0 441.940 3.515 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N1CCc2sccc2C1 ZINC000014318259 556412919 /nfs/dbraw/zinc/41/29/19/556412919.db2.gz IRRUXAOUJUBWRC-UHFFFAOYSA-N 0 0 430.507 3.705 50 0 IHAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032674259 556415310 /nfs/dbraw/zinc/41/53/10/556415310.db2.gz GJHWCPMYMUMJFT-GFCCVEGCSA-N 0 0 445.907 3.750 50 0 IHAARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)S(=O)(=O)c1ccc(Cl)s1 ZINC000014377084 556415410 /nfs/dbraw/zinc/41/54/10/556415410.db2.gz YIADOSAIYSUFCK-UHFFFAOYSA-N 0 0 445.950 3.923 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032676219 556415962 /nfs/dbraw/zinc/41/59/62/556415962.db2.gz AMRNWNOHROPCRT-UHFFFAOYSA-N 0 0 448.500 3.739 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000032829739 556416468 /nfs/dbraw/zinc/41/64/68/556416468.db2.gz ZXZQIWCOALVCLW-UHFFFAOYSA-N 0 0 426.460 3.559 50 0 IHAARN COC(=O)c1ccc([C@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000032665985 556417285 /nfs/dbraw/zinc/41/72/85/556417285.db2.gz CQUXLQANHHDIPL-HXUWFJFHSA-N 0 0 441.434 3.893 50 0 IHAARN Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc2ccccc12 ZINC000032831386 556417341 /nfs/dbraw/zinc/41/73/41/556417341.db2.gz FLAIVZVGURXJOE-KRWDZBQOSA-N 0 0 445.306 3.867 50 0 IHAARN COc1cc(CCC2CCN(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc(OC)c1 ZINC000012943517 556417295 /nfs/dbraw/zinc/41/72/95/556417295.db2.gz YDQOHLCNNABMOB-CJAUYULYSA-N 0 0 443.588 3.807 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1Br ZINC000012943623 556417553 /nfs/dbraw/zinc/41/75/53/556417553.db2.gz OVFBIEODDPPLSZ-UHFFFAOYSA-N 0 0 436.394 3.811 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000032836964 556418441 /nfs/dbraw/zinc/41/84/41/556418441.db2.gz XMMUXGPLFWIQOD-IBGZPJMESA-N 0 0 436.599 3.606 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)o1 ZINC000032837359 556418772 /nfs/dbraw/zinc/41/87/72/556418772.db2.gz RXDWZKPWKMNVMQ-UHFFFAOYSA-N 0 0 425.445 3.616 50 0 IHAARN CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc(Br)c1OC ZINC000012974085 556419940 /nfs/dbraw/zinc/41/99/40/556419940.db2.gz PCEDKNCTIPGTSR-CYBMUJFWSA-N 0 0 445.317 3.928 50 0 IHAARN Cc1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)CC[C@@]43C)cc2s1 ZINC000012974352 556420287 /nfs/dbraw/zinc/42/02/87/556420287.db2.gz BYBOFAFSMMXPRD-HSZRJFAPSA-N 0 0 434.521 3.932 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nnc(NCc2ccccc2)s1 ZINC000012974353 556420321 /nfs/dbraw/zinc/42/03/21/556420321.db2.gz NANHDULHBKRLLH-KRWDZBQOSA-N 0 0 445.566 3.893 50 0 IHAARN CC(=O)c1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)cc1 ZINC000014531395 556420632 /nfs/dbraw/zinc/42/06/32/556420632.db2.gz LFDNTMGKZRRKMU-QFIPXVFZSA-N 0 0 440.515 3.554 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c1C ZINC000012978052 556422692 /nfs/dbraw/zinc/42/26/92/556422692.db2.gz QDYBWDDJZGDMJG-UHFFFAOYSA-N 0 0 434.627 3.741 50 0 IHAARN Cc1ccc(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012978690 556423388 /nfs/dbraw/zinc/42/33/88/556423388.db2.gz QFQJSPRBBHFOON-JOCHJYFZSA-N 0 0 443.594 3.625 50 0 IHAARN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Br)cc1 ZINC000012980070 556423874 /nfs/dbraw/zinc/42/38/74/556423874.db2.gz XTPKEOOZHFKXIE-CYBMUJFWSA-N 0 0 445.338 3.988 50 0 IHAARN Nc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2sccc21 ZINC000032841116 556426736 /nfs/dbraw/zinc/42/67/36/556426736.db2.gz XDLJRBJILLOYER-HNNXBMFYSA-N 0 0 442.566 3.891 50 0 IHAARN CCn1c2ccccc2n(CCC(=O)Nc2ccc(C)c(I)c2)c1=O ZINC000012988846 556427770 /nfs/dbraw/zinc/42/77/70/556427770.db2.gz BZJZIPGVBRWVMI-UHFFFAOYSA-N 0 0 449.292 3.765 50 0 IHAARN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032842844 556427830 /nfs/dbraw/zinc/42/78/30/556427830.db2.gz NIZQQPDDXXMLTC-INIZCTEOSA-N 0 0 438.505 3.857 50 0 IHAARN COc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000012992176 556428881 /nfs/dbraw/zinc/42/88/81/556428881.db2.gz DDVZTLKBHRBBES-UHFFFAOYSA-N 0 0 434.521 3.731 50 0 IHAARN COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000032845145 556429254 /nfs/dbraw/zinc/42/92/54/556429254.db2.gz DANJKKQBRZGUFL-BBRMVZONSA-N 0 0 437.949 3.853 50 0 IHAARN O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012993510 556429429 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COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000014881052 556453562 /nfs/dbraw/zinc/45/35/62/556453562.db2.gz NPWKXPGPJUPMDA-UXHICEINSA-N 0 0 430.570 3.669 50 0 IHAARN Cc1ccccc1[C@]1(CC(=O)N(C)Cc2cccc3ncccc23)CC(=O)N(C2CC2)C1=O ZINC000014882568 556454418 /nfs/dbraw/zinc/45/44/18/556454418.db2.gz KOSYMCWPFZRBTN-MHZLTWQESA-N 0 0 441.531 3.751 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)Nc1nccs1 ZINC000028419357 556454458 /nfs/dbraw/zinc/45/44/58/556454458.db2.gz CJHAWGDBJMUQNQ-AWEZNQCLSA-N 0 0 435.962 3.965 50 0 IHAARN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2cccc3ncccc23)CC(=O)N(C2CC2)C1=O ZINC000014882569 556454495 /nfs/dbraw/zinc/45/44/95/556454495.db2.gz KOSYMCWPFZRBTN-HHHXNRCGSA-N 0 0 441.531 3.751 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000013076255 556455613 /nfs/dbraw/zinc/45/56/13/556455613.db2.gz FZHBRENYVYTLFP-WGDIFIGCSA-N 0 0 448.519 3.960 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@@H]1C 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O=C(CSc1ncnc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013117030 556469211 /nfs/dbraw/zinc/46/92/11/556469211.db2.gz KGFLFPAAEIDJGE-UHFFFAOYSA-N 0 0 430.415 3.960 50 0 IHAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000029255952 556470918 /nfs/dbraw/zinc/47/09/18/556470918.db2.gz ILBRVUMJZIXQOP-UHFFFAOYSA-N 0 0 448.523 3.749 50 0 IHAARN NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ccc1Cl ZINC000029338907 556473017 /nfs/dbraw/zinc/47/30/17/556473017.db2.gz AEXZGUAZYCFHFA-UHFFFAOYSA-N 0 0 447.875 3.631 50 0 IHAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000029361162 556473405 /nfs/dbraw/zinc/47/34/05/556473405.db2.gz VJZAPPJDFSNJQF-JOCHJYFZSA-N 0 0 433.596 3.754 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCn3c4ccccc4nc32)nn1-c1ccccc1C(F)(F)F ZINC000029376670 556473583 /nfs/dbraw/zinc/47/35/83/556473583.db2.gz KZPXCUJRBYGAIO-UHFFFAOYSA-N 0 0 439.397 3.570 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCn2c3ccccc3nc21 ZINC000029375477 556473721 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CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1C ZINC000013128894 556478512 /nfs/dbraw/zinc/47/85/12/556478512.db2.gz UILZRRKVQVQOHM-AREMUKBSSA-N 0 0 443.503 3.707 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1C ZINC000013129063 556478869 /nfs/dbraw/zinc/47/88/69/556478869.db2.gz BWZUOLOLQYQXRK-UHFFFAOYSA-N 0 0 448.566 3.793 50 0 IHAARN CC(C)Cn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1 ZINC000013130215 556479568 /nfs/dbraw/zinc/47/95/68/556479568.db2.gz KPMJASJCGOAHAR-UHFFFAOYSA-N 0 0 440.906 3.905 50 0 IHAARN CCN(Cc1csc(-c2ccc(C)o2)n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000029695893 556480140 /nfs/dbraw/zinc/48/01/40/556480140.db2.gz FOQPNBGDVZJLDN-UHFFFAOYSA-N 0 0 440.525 3.987 50 0 IHAARN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000013131251 556480398 /nfs/dbraw/zinc/48/03/98/556480398.db2.gz PHPVLABXVGPEDB-SFHVURJKSA-N 0 0 437.521 3.509 50 0 IHAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000072288216 556480396 /nfs/dbraw/zinc/48/03/96/556480396.db2.gz DXYDDLPHZSRINU-QGZVFWFLSA-N 0 0 448.953 3.563 50 0 IHAARN CC(C)(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(C(F)(F)F)c1 ZINC000072288398 556481469 /nfs/dbraw/zinc/48/14/69/556481469.db2.gz NNPLOYBYJCDDNH-BQFCYCMXSA-N 0 0 443.535 3.825 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)F ZINC000029755326 556481552 /nfs/dbraw/zinc/48/15/52/556481552.db2.gz ZIJGOXNRUAVHGR-QFIPXVFZSA-N 0 0 429.423 3.616 50 0 IHAARN CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1Cc1ccco1 ZINC000029804560 556483218 /nfs/dbraw/zinc/48/32/18/556483218.db2.gz MQLBSVDTZUCKTN-HNNXBMFYSA-N 0 0 442.541 3.784 50 0 IHAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(C)n1-c1ccccc1 ZINC000013141536 556486967 /nfs/dbraw/zinc/48/69/67/556486967.db2.gz YHRPLRNCGYQUTO-UHFFFAOYSA-N 0 0 446.554 3.865 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000032876405 556488466 /nfs/dbraw/zinc/48/84/66/556488466.db2.gz TWBZVZIZYMYQTK-OAHLLOKOSA-N 0 0 443.573 3.548 50 0 IHAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)c1ccc(F)cc1 ZINC000032876726 556489392 /nfs/dbraw/zinc/48/93/92/556489392.db2.gz UTUOIQXSRDXNQF-INIZCTEOSA-N 0 0 433.501 3.819 50 0 IHAARN O=C(NCc1ccco1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000013149223 556490998 /nfs/dbraw/zinc/49/09/98/556490998.db2.gz DIAHQDVVAKSKLZ-UHFFFAOYSA-N 0 0 435.867 3.641 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000015063950 556491444 /nfs/dbraw/zinc/49/14/44/556491444.db2.gz NRFGWDAOUJEZMA-RUZDIDTESA-N 0 0 435.524 3.908 50 0 IHAARN CCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000013154033 556493372 /nfs/dbraw/zinc/49/33/72/556493372.db2.gz YLDDYSKNGPLWTF-SNVBAGLBSA-N 0 0 433.586 3.958 50 0 aggregator IHAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000013163393 556493648 /nfs/dbraw/zinc/49/36/48/556493648.db2.gz NUWKOMMJRJDKCI-GOSISDBHSA-N 0 0 449.511 3.534 50 0 IHAARN Cc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030515281 556496199 /nfs/dbraw/zinc/49/61/99/556496199.db2.gz NGPDQVVFJHSNFT-UHFFFAOYSA-N 0 0 435.475 3.614 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)N2CCOCC2)cc1 ZINC000030522238 556496692 /nfs/dbraw/zinc/49/66/92/556496692.db2.gz HZVICQUAESDHKG-XMMPIXPASA-N 0 0 446.551 3.562 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164641 556497105 /nfs/dbraw/zinc/49/71/05/556497105.db2.gz MLGDGEFUTWUSDG-UHFFFAOYSA-N 0 0 436.537 3.667 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CN1CCc3sccc3[C@@H]1c1ccccc1)CCC2 ZINC000013164799 556497351 /nfs/dbraw/zinc/49/73/51/556497351.db2.gz MRRYZSVPLHNTPD-NRFANRHFSA-N 0 0 437.590 3.983 50 0 IHAARN O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000030573991 556498331 /nfs/dbraw/zinc/49/83/31/556498331.db2.gz MBPBLOWDEBNNGP-QHCPKHFHSA-N 0 0 436.581 3.617 50 0 IHAARN CCCCc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000013165369 556498380 /nfs/dbraw/zinc/49/83/80/556498380.db2.gz XWGMHXYKNBGYSN-UHFFFAOYSA-N 0 0 437.565 3.679 50 0 IHAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000030592589 556499047 /nfs/dbraw/zinc/49/90/47/556499047.db2.gz HBTFRPLUXLZSAR-GFCCVEGCSA-N 0 0 447.388 3.741 50 0 IHAARN CCCCc1c(-c2ccccc2)n(-c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081266 556500967 /nfs/dbraw/zinc/50/09/67/556500967.db2.gz XBCSNLQFTNSPKA-UHFFFAOYSA-N 0 0 427.508 3.685 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)[C@@H]3CCC1 ZINC000015083484 556501635 /nfs/dbraw/zinc/50/16/35/556501635.db2.gz JMWFDOWRWFSACC-JOCHJYFZSA-N 0 0 435.549 3.916 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@@H]2COc3ccccc3O2)nc1 ZINC000030681819 556501806 /nfs/dbraw/zinc/50/18/06/556501806.db2.gz RYEIBLYNYQIXKD-LJQANCHMSA-N 0 0 439.537 3.573 50 0 IHAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)C(=O)Nc1ncccn1 ZINC000032879768 556505608 /nfs/dbraw/zinc/50/56/08/556505608.db2.gz HQZYKNYZQCUCKV-GJZGRUSLSA-N 0 0 449.540 3.515 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCCC1 ZINC000032879853 556507474 /nfs/dbraw/zinc/50/74/74/556507474.db2.gz XALSWIXBPKRCGM-IBGZPJMESA-N 0 0 432.567 3.525 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ncc(-c2ccccc2)s1 ZINC000072294481 556507770 /nfs/dbraw/zinc/50/77/70/556507770.db2.gz PSBKRBHCVPKGIX-UHFFFAOYSA-N 0 0 444.534 3.774 50 0 IHAARN COC(=O)c1cc(CNC(=O)c2cccnc2SCc2c(C)noc2C)ccc1OC ZINC000032717103 556508251 /nfs/dbraw/zinc/50/82/51/556508251.db2.gz MYDFEBFQVKHADX-UHFFFAOYSA-N 0 0 441.509 3.704 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 ZINC000015222197 556512129 /nfs/dbraw/zinc/51/21/29/556512129.db2.gz ORFKTQHXUNVXIG-UWJYYQICSA-N 0 0 437.492 3.548 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc(CN2CCCCC2)cs1 ZINC000032889377 556512434 /nfs/dbraw/zinc/51/24/34/556512434.db2.gz OVCQRJYSGPJHJZ-UHFFFAOYSA-N 0 0 427.357 3.804 50 0 IHAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NC[C@H]3CCCO3)ccc2c1=O ZINC000013551694 556515256 /nfs/dbraw/zinc/51/52/56/556515256.db2.gz NJANLFZRLAKFBR-QGZVFWFLSA-N 0 0 439.464 3.576 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000032895915 556515779 /nfs/dbraw/zinc/51/57/79/556515779.db2.gz JQGLDIPNRPJLRB-UHFFFAOYSA-N 0 0 425.510 3.702 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 ZINC000013555016 556515835 /nfs/dbraw/zinc/51/58/35/556515835.db2.gz MMHWBXLBUASUDR-YTCTWSIISA-N 0 0 443.613 3.626 50 0 IHAARN Cc1c(C(=O)NCc2ccccc2Cn2ccnc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000032899114 556516142 /nfs/dbraw/zinc/51/61/42/556516142.db2.gz NEOFIBGYVHTNRK-UHFFFAOYSA-N 0 0 440.429 3.769 50 0 IHAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030940274 556516145 /nfs/dbraw/zinc/51/61/45/556516145.db2.gz OKXVRNUAAYOIQP-IBGZPJMESA-N 0 0 438.933 3.683 50 0 IHAARN Cc1cc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1 ZINC000030969233 556518384 /nfs/dbraw/zinc/51/83/84/556518384.db2.gz BDCDYAMUFGOVJV-HNNXBMFYSA-N 0 0 436.603 3.586 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2)ccc1F ZINC000032889614 556518670 /nfs/dbraw/zinc/51/86/70/556518670.db2.gz WTYVIZIPOMWEFZ-UHFFFAOYSA-N 0 0 428.489 3.648 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032891178 556518910 /nfs/dbraw/zinc/51/89/10/556518910.db2.gz KWQGSTRQSBSYJP-OAHLLOKOSA-N 0 0 435.421 3.546 50 0 IHAARN CSc1nsc(SC)c1NC(=O)OCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000003090166 556519256 /nfs/dbraw/zinc/51/92/56/556519256.db2.gz PBKCSELFDDACGP-UHFFFAOYSA-N 0 0 447.629 3.812 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000011074796 556519627 /nfs/dbraw/zinc/51/96/27/556519627.db2.gz WKMKSNPRFYZPSL-UHFFFAOYSA-N 0 0 443.956 3.903 50 0 IHAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccc2c(c1)OCCO2 ZINC000032892786 556520411 /nfs/dbraw/zinc/52/04/11/556520411.db2.gz VMMUQDPDYJNXOM-UHFFFAOYSA-N 0 0 428.485 3.534 50 0 IHAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000013568379 556520943 /nfs/dbraw/zinc/52/09/43/556520943.db2.gz KTNPFURFFSKQDP-UHFFFAOYSA-N 0 0 439.002 3.779 50 0 IHAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)nc2ncccc2c1=O ZINC000032893459 556521261 /nfs/dbraw/zinc/52/12/61/556521261.db2.gz LARQKWCHKVTDAV-ZDUSSCGKSA-N 0 0 432.496 3.695 50 0 IHAARN COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000013572102 556522478 /nfs/dbraw/zinc/52/24/78/556522478.db2.gz ZOKAZLCRINDLEQ-NDENLUEZSA-N 0 0 435.505 3.572 50 0 IHAARN OCCN(CCO)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000072301709 556525804 /nfs/dbraw/zinc/52/58/04/556525804.db2.gz OFFVPZIZWSVNMW-UHFFFAOYSA-N 0 0 436.002 3.917 50 0 IHAARN COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1 ZINC000015449145 556528928 /nfs/dbraw/zinc/52/89/28/556528928.db2.gz NYIYFLJKPDAYNT-UHFFFAOYSA-N 0 0 447.535 3.704 50 0 IHAARN Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1ccc(F)cc1 ZINC000013592886 556530974 /nfs/dbraw/zinc/53/09/74/556530974.db2.gz JUAIZEVDDOUPOL-UHFFFAOYSA-N 0 0 430.486 3.717 50 0 IHAARN NC(=O)C1CCN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)CC1 ZINC000013598307 556532761 /nfs/dbraw/zinc/53/27/61/556532761.db2.gz KBBOFHBGZRFDGF-UHFFFAOYSA-N 0 0 444.127 3.608 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000013624512 556536569 /nfs/dbraw/zinc/53/65/69/556536569.db2.gz BFYUZOWZRNTBHX-UHFFFAOYSA-N 0 0 439.855 3.759 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032901526 556536781 /nfs/dbraw/zinc/53/67/81/556536781.db2.gz CBKATYDWOHSNHF-HYFFOGBASA-N 0 0 446.544 3.601 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1cc2c(cc1Br)OCCO2 ZINC000015610176 556538014 /nfs/dbraw/zinc/53/80/14/556538014.db2.gz FKQZDWWAPRIRIH-UHFFFAOYSA-N 0 0 436.287 3.903 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1N1CCCC1=O ZINC000015614737 556538269 /nfs/dbraw/zinc/53/82/69/556538269.db2.gz BDFCEWCYARRBPW-UHFFFAOYSA-N 0 0 441.487 3.982 50 0 IHAARN C[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032902102 556538952 /nfs/dbraw/zinc/53/89/52/556538952.db2.gz ROVLQJCFRWLPJA-QRYOHXEKSA-N 0 0 428.558 3.680 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3C)CC2)c1 ZINC000015655395 556540856 /nfs/dbraw/zinc/54/08/56/556540856.db2.gz FQAQKRGKCJUPLI-UHFFFAOYSA-N 0 0 435.929 3.857 50 0 IHAARN COc1ccc(CNC(=O)CN(C(=O)C2=C(C)OCCS2)c2ccc(Cl)cc2)cc1 ZINC000015724448 556545597 /nfs/dbraw/zinc/54/55/97/556545597.db2.gz JVGFXFVZOZIAMO-UHFFFAOYSA-N 0 0 446.956 3.993 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000033115327 556555029 /nfs/dbraw/zinc/55/50/29/556555029.db2.gz ZEYHBPHDDBGGFY-NRFANRHFSA-N 0 0 442.581 3.739 50 0 IHAARN Cc1nc(C)c(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)o2)s1 ZINC000032905938 556556917 /nfs/dbraw/zinc/55/69/17/556556917.db2.gz LQXHQSFGQHTXHT-JTQLQIEISA-N 0 0 432.527 3.551 50 0 IHAARN O=C(CCn1cnc2onc(-c3ccccc3)c2c1=O)Nc1ccc(Br)cc1 ZINC000033250113 556557032 /nfs/dbraw/zinc/55/70/32/556557032.db2.gz AJIHOSBZSJCLME-UHFFFAOYSA-N 0 0 439.269 3.843 50 0 IHAARN O=C(CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O)NCc1ccccc1Cl ZINC000033250129 556557046 /nfs/dbraw/zinc/55/70/46/556557046.db2.gz OAHOHVSCGPRELV-UHFFFAOYSA-N 0 0 444.825 3.690 50 0 IHAARN CC1CCN([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2ccco2)CC1 ZINC000015860072 556558531 /nfs/dbraw/zinc/55/85/31/556558531.db2.gz WCIYZYJGEJBKSB-LJQANCHMSA-N 0 0 437.496 3.909 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000015892778 556561543 /nfs/dbraw/zinc/56/15/43/556561543.db2.gz JAMTVSQIEVACMB-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000032908167 556564205 /nfs/dbraw/zinc/56/42/05/556564205.db2.gz FRASBAJTFQNUEP-GFCCVEGCSA-N 0 0 427.526 3.606 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(C)c(F)c3)C[C@H]2C)cc1F ZINC000072308497 556565204 /nfs/dbraw/zinc/56/52/04/556565204.db2.gz BSPBGEVINZEFRD-HDICACEKSA-N 0 0 444.526 3.553 50 0 IHAARN CC(C)Cc1nc(CN2CCN(Cc3noc(CC(C)C)n3)C3(CCCCC3)C2)no1 ZINC000072308691 556565611 /nfs/dbraw/zinc/56/56/11/556565611.db2.gz XVQOTEOIMVJCDF-UHFFFAOYSA-N 0 0 430.597 3.870 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000015940536 556566341 /nfs/dbraw/zinc/56/63/41/556566341.db2.gz SXPXBPXCXJOILO-FQEVSTJZSA-N 0 0 448.585 3.542 50 0 IHAARN OCCN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(Br)cc32)CC1 ZINC000033884266 556568723 /nfs/dbraw/zinc/56/87/23/556568723.db2.gz LDEZXABKDITBRB-GOSISDBHSA-N 0 0 437.378 3.947 50 0 IHAARN COc1cc(OC)c(NC(=O)CCCNS(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000015949008 556568854 /nfs/dbraw/zinc/56/88/54/556568854.db2.gz STXHTPRERWJCMM-UHFFFAOYSA-N 0 0 440.949 3.671 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000015968074 556569693 /nfs/dbraw/zinc/56/96/93/556569693.db2.gz WKYNVNUKPUMUFX-UHFFFAOYSA-N 0 0 437.805 3.911 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000015998762 556572072 /nfs/dbraw/zinc/57/20/72/556572072.db2.gz WBKHHHXHCUVIEH-SNVBAGLBSA-N 0 0 434.258 3.851 50 0 IHAARN Cc1nnc(-c2ccc(NC(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)cc2)o1 ZINC000072309737 556573132 /nfs/dbraw/zinc/57/31/32/556573132.db2.gz WVVHICGCBQJYQN-MRXNPFEDSA-N 0 0 436.390 3.625 50 0 IHAARN COc1ccc(C2(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCC2)cc1OC ZINC000001110491 556573729 /nfs/dbraw/zinc/57/37/29/556573729.db2.gz FOHOILWURROGSD-UHFFFAOYSA-N 0 0 435.524 3.952 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000016012161 556574183 /nfs/dbraw/zinc/57/41/83/556574183.db2.gz NKBFIPOZZNNWSJ-LPPUWEFUSA-N 0 0 438.568 3.775 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O ZINC000016011586 556574305 /nfs/dbraw/zinc/57/43/05/556574305.db2.gz SECGSVQQLYOHTO-NVXWUHKLSA-N 0 0 449.688 3.712 50 0 IHAARN Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@H](C)N2C(=O)Cc1cn(C)c2ccccc12 ZINC000072310521 556576335 /nfs/dbraw/zinc/57/63/35/556576335.db2.gz DIXRSMGISDBLHB-HNNXBMFYSA-N 0 0 437.544 3.940 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)c3ccc(C)cc3)s2)c1 ZINC000002998357 556578574 /nfs/dbraw/zinc/57/85/74/556578574.db2.gz TXFVPRUDNGHOAL-UHFFFAOYSA-N 0 0 444.538 3.847 50 0 IHAARN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000016050754 556580948 /nfs/dbraw/zinc/58/09/48/556580948.db2.gz CORMNGVPRNXXBY-VIFPVBQESA-N 0 0 425.486 3.502 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)C2CC2)C1 ZINC000034755233 556581896 /nfs/dbraw/zinc/58/18/96/556581896.db2.gz GEYNJRIAZOTKOQ-FGZHOGPDSA-N 0 0 438.543 3.844 50 0 IHAARN COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCCOC(C)C)cc1OC ZINC000034794546 556582535 /nfs/dbraw/zinc/58/25/35/556582535.db2.gz FJRPKJUHQZYZME-JOCHJYFZSA-N 0 0 426.557 3.562 50 0 IHAARN C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000016108745 556583357 /nfs/dbraw/zinc/58/33/57/556583357.db2.gz BUDDYFGUDOLLTH-CYBMUJFWSA-N 0 0 438.343 3.693 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(Oc3cc(Cl)c(Cl)cc3Cl)nc2)CC1 ZINC000034858967 556584045 /nfs/dbraw/zinc/58/40/45/556584045.db2.gz RIHOPYFXRSYZMC-UHFFFAOYSA-N 0 0 436.748 3.770 50 0 IHAARN CCc1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)sc1C ZINC000032913190 556587407 /nfs/dbraw/zinc/58/74/07/556587407.db2.gz JRIAXZYLYHMQBD-UHFFFAOYSA-N 0 0 449.580 3.553 50 0 IHAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000060246647 556588242 /nfs/dbraw/zinc/58/82/42/556588242.db2.gz KMSUCNLOOKZOOB-UHFFFAOYSA-N 0 0 438.387 3.518 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000036083776 556592760 /nfs/dbraw/zinc/59/27/60/556592760.db2.gz GJIQTBVPRHYDIY-QFIPXVFZSA-N 0 0 440.496 3.605 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000016229894 556593502 /nfs/dbraw/zinc/59/35/02/556593502.db2.gz GFXMVEXGZKVFOE-UHFFFAOYSA-N 0 0 436.577 3.730 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cs1 ZINC000016277316 556596520 /nfs/dbraw/zinc/59/65/20/556596520.db2.gz QVSGIHVIQCDBIF-UHFFFAOYSA-N 0 0 438.553 3.652 50 0 IHAARN COC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 ZINC000016286650 556597619 /nfs/dbraw/zinc/59/76/19/556597619.db2.gz LKUVEEAONGORLW-NDXORKPFSA-N 0 0 429.266 3.822 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)n2C ZINC000100860568 556597784 /nfs/dbraw/zinc/59/77/84/556597784.db2.gz YOWYYJJHHPDWBY-LSJZCYCUSA-N 0 0 443.594 3.852 50 0 IHAARN O=C(CSc1nncn1CCc1cccs1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000011106959 556598569 /nfs/dbraw/zinc/59/85/69/556598569.db2.gz WXULTLCIRFBEDQ-UHFFFAOYSA-N 0 0 445.961 3.547 50 0 IHAARN O=C(COCc1ccccc1)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037356139 556601882 /nfs/dbraw/zinc/60/18/82/556601882.db2.gz DAILPPSQWWEIOQ-UHFFFAOYSA-N 0 0 438.915 3.788 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032983329 556601898 /nfs/dbraw/zinc/60/18/98/556601898.db2.gz KQFJAVJXMDFUTG-KRWDZBQOSA-N 0 0 442.924 3.679 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1C ZINC000016381658 556603898 /nfs/dbraw/zinc/60/38/98/556603898.db2.gz JAGKTJAUMSDMOE-UHFFFAOYSA-N 0 0 440.569 3.800 50 0 IHAARN CC(C)c1ccc(CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000016397086 556605072 /nfs/dbraw/zinc/60/50/72/556605072.db2.gz VNPJGDCVQXTOKQ-QHCPKHFHSA-N 0 0 432.630 3.733 50 0 IHAARN Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000016400263 556605296 /nfs/dbraw/zinc/60/52/96/556605296.db2.gz AQGFTXLTIADYPV-UHFFFAOYSA-N 0 0 429.542 3.791 50 0 IHAARN CSc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032987490 556607654 /nfs/dbraw/zinc/60/76/54/556607654.db2.gz KMQWXZAJISXITE-UHFFFAOYSA-N 0 0 442.566 3.654 50 0 IHAARN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCCc1ccccc1 ZINC000032987517 556607660 /nfs/dbraw/zinc/60/76/60/556607660.db2.gz DEYNVXJSYICUTE-UHFFFAOYSA-N 0 0 444.944 3.709 50 0 IHAARN Cc1ccc(CCNC(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032987529 556607691 /nfs/dbraw/zinc/60/76/91/556607691.db2.gz QFNWBZJQXVJDML-UHFFFAOYSA-N 0 0 444.944 3.628 50 0 IHAARN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccco1 ZINC000016448675 556608721 /nfs/dbraw/zinc/60/87/21/556608721.db2.gz CAWNGNKOVNDLPG-UHFFFAOYSA-N 0 0 438.528 3.868 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000032995102 556609970 /nfs/dbraw/zinc/60/99/70/556609970.db2.gz DDUOSKYGGFYULV-UHFFFAOYSA-N 0 0 449.580 3.770 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2Cl)nnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000016648119 556619963 /nfs/dbraw/zinc/61/99/63/556619963.db2.gz NEDPYYYKESWEAE-ZDUSSCGKSA-N 0 0 435.981 3.672 50 0 IHAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000033735485 556628386 /nfs/dbraw/zinc/62/83/86/556628386.db2.gz HJMICTBNKAEXLS-UHFFFAOYSA-N 0 0 430.552 3.720 50 0 IHAARN Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2c1 ZINC000016749856 556636880 /nfs/dbraw/zinc/63/68/80/556636880.db2.gz CHVCIIMVVWHTNX-CALCHBBNSA-N 0 0 442.537 3.720 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C ZINC000016766074 556640155 /nfs/dbraw/zinc/64/01/55/556640155.db2.gz CBHOREWBFIMUSF-LJQANCHMSA-N 0 0 425.441 3.641 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1 ZINC000038486881 556647143 /nfs/dbraw/zinc/64/71/43/556647143.db2.gz UECOVORWBVMIPM-UHFFFAOYSA-N 0 0 446.511 3.900 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000016858788 556647699 /nfs/dbraw/zinc/64/76/99/556647699.db2.gz QSUFIOCRSZYAFO-QWAJQTJBSA-N 0 0 448.878 3.576 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(Cl)cc5)c(=O)n4ccn3n2)cc1C ZINC000038487199 556648013 /nfs/dbraw/zinc/64/80/13/556648013.db2.gz URDIUXZHDCRQCE-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)cc1 ZINC000038487317 556648498 /nfs/dbraw/zinc/64/84/98/556648498.db2.gz JPGMJBJTSYBGKX-UHFFFAOYSA-N 0 0 438.487 3.927 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000016975292 556651704 /nfs/dbraw/zinc/65/17/04/556651704.db2.gz FQKBVECUGJMVOF-QFIPXVFZSA-N 0 0 439.899 3.713 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000247985704 556654497 /nfs/dbraw/zinc/65/44/97/556654497.db2.gz JPSSQEIKJWMYEF-CZAAIQMYSA-N 0 0 434.989 3.925 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000033005190 556654749 /nfs/dbraw/zinc/65/47/49/556654749.db2.gz GVTISQVTQLHJPU-UHFFFAOYSA-N 0 0 440.569 3.749 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@H]2C)c1 ZINC000033005499 556655050 /nfs/dbraw/zinc/65/50/50/556655050.db2.gz FCUVVIAKFPSHNW-HXUWFJFHSA-N 0 0 432.568 3.758 50 0 IHAARN CCc1c(C)sc2nc(SCC(=O)NC(C)(C)CC)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011772208 556655106 /nfs/dbraw/zinc/65/51/06/556655106.db2.gz HHYROZULARYDJA-AWEZNQCLSA-N 0 0 437.631 3.905 50 0 IHAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(OC)cc3OC)cc2)s1 ZINC000033011203 556659385 /nfs/dbraw/zinc/65/93/85/556659385.db2.gz CXEHLCHQSBQFHT-UHFFFAOYSA-N 0 0 440.525 3.690 50 0 IHAARN CCc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033011681 556659607 /nfs/dbraw/zinc/65/96/07/556659607.db2.gz WHIWNWWXJZVCFD-UHFFFAOYSA-N 0 0 430.530 3.900 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000017096254 556659997 /nfs/dbraw/zinc/65/99/97/556659997.db2.gz OBUSWCIEJFNAOC-CQSZACIVSA-N 0 0 428.963 3.561 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)C(C)C)o1 ZINC000004594044 556660898 /nfs/dbraw/zinc/66/08/98/556660898.db2.gz INLSEYQEQXBBEW-QFIPXVFZSA-N 0 0 426.557 3.823 50 0 IHAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2F)[nH]c(=O)c1C ZINC000011854919 556662027 /nfs/dbraw/zinc/66/20/27/556662027.db2.gz XJZVNOZRMHMABP-UHFFFAOYSA-N 0 0 427.436 3.831 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3ccccc3O)CC2)sc2c1CCCC2 ZINC000017097654 556662080 /nfs/dbraw/zinc/66/20/80/556662080.db2.gz AEQILXYDJXCBKW-UHFFFAOYSA-N 0 0 431.583 3.638 50 0 IHAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011852704 556662680 /nfs/dbraw/zinc/66/26/80/556662680.db2.gz VFWJIZNFPMUSDE-UHFFFAOYSA-N 0 0 444.534 3.725 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CC3)n1C)C[C@@H](C)CC2 ZINC000017099158 556664284 /nfs/dbraw/zinc/66/42/84/556664284.db2.gz NBPQEKJLJFUJTI-NSHDSACASA-N 0 0 434.587 3.786 50 0 IHAARN Cc1cccc(-n2cc(C(=O)OCc3cc(=O)n4ccccc4n3)c3ccccc3c2=O)c1 ZINC000044167221 556666156 /nfs/dbraw/zinc/66/61/56/556666156.db2.gz OBXCEROMDGZSFC-UHFFFAOYSA-N 0 0 437.455 3.664 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011866948 556667182 /nfs/dbraw/zinc/66/71/82/556667182.db2.gz MICDTNYKBXNWCV-DRKZVIBPSA-N 0 0 439.552 3.983 50 0 biogenic IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866953 556667243 /nfs/dbraw/zinc/66/72/43/556667243.db2.gz UWTGYNAKLDLHOU-KABRZNFWSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1F ZINC000032932296 556675309 /nfs/dbraw/zinc/67/53/09/556675309.db2.gz PVUDUQCCCKJPQW-QGZVFWFLSA-N 0 0 440.544 3.506 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 ZINC000033019331 556675871 /nfs/dbraw/zinc/67/58/71/556675871.db2.gz BWTVPOWZABCXAN-OAHLLOKOSA-N 0 0 439.430 3.842 50 0 IHAARN O=C(NCc1ccc(-n2cncn2)nc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000032933109 556676497 /nfs/dbraw/zinc/67/64/97/556676497.db2.gz RWQKNARHXMJMJX-UHFFFAOYSA-N 0 0 435.491 3.504 50 0 IHAARN Cc1ccc(N2N=C(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)CCC2=O)cc1Cl ZINC000011956426 556676881 /nfs/dbraw/zinc/67/68/81/556676881.db2.gz ZCDWHOGQVYKGOB-HXUWFJFHSA-N 0 0 427.888 3.504 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996886 556678848 /nfs/dbraw/zinc/67/88/48/556678848.db2.gz BIFUWIVMSMGVLT-SFHVURJKSA-N 0 0 439.537 3.787 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999237 556679883 /nfs/dbraw/zinc/67/98/83/556679883.db2.gz UTGHPJFWEYLVHA-UHFFFAOYSA-N 0 0 436.917 3.699 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000033326550 556682440 /nfs/dbraw/zinc/68/24/40/556682440.db2.gz RETIAWOUEUODNZ-KRWDZBQOSA-N 0 0 441.983 3.895 50 0 IHAARN Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000024144580 556685665 /nfs/dbraw/zinc/68/56/65/556685665.db2.gz WQQHAJIZKFKPFG-FQEVSTJZSA-N 0 0 448.592 3.972 50 0 IHAARN CCOc1ccc(C(=O)COC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000097654833 556685831 /nfs/dbraw/zinc/68/58/31/556685831.db2.gz VDZQLMDHSUOXIZ-RCCKNPSSSA-N 0 0 444.447 3.756 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)Nc4cccc(C)c4)nnc3c2=O)cc1 ZINC000046005709 556689809 /nfs/dbraw/zinc/68/98/09/556689809.db2.gz RJCFAOSEARBHPK-GOSISDBHSA-N 0 0 445.523 3.795 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000252481353 556689852 /nfs/dbraw/zinc/68/98/52/556689852.db2.gz CJOKAPFYUPGQDK-OAHLLOKOSA-N 0 0 449.511 3.581 50 0 IHAARN O=S1(=O)CCC(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)CC1 ZINC000252485911 556690309 /nfs/dbraw/zinc/69/03/09/556690309.db2.gz HEXAOQCLCQAAAQ-UHFFFAOYSA-N 0 0 449.016 3.866 50 0 IHAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(C(C)=O)cc4)c(C)n3n2)cc1 ZINC000046023841 556691222 /nfs/dbraw/zinc/69/12/22/556691222.db2.gz MYNWVILEVZJPCW-UHFFFAOYSA-N 0 0 429.480 3.801 50 0 IHAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252512196 556691574 /nfs/dbraw/zinc/69/15/74/556691574.db2.gz NZHOKSXVOVXFFI-QRQLOZEOSA-N 0 0 434.462 3.872 50 0 IHAARN COc1cc(Nc2nc3ccccc3nc2C(=O)OC[C@@H]2CCCO2)cc(OC)c1OC ZINC000046141188 556692475 /nfs/dbraw/zinc/69/24/75/556692475.db2.gz KKDIOFPDZFYUDK-HNNXBMFYSA-N 0 0 439.468 3.735 50 0 IHAARN O=C(c1cccnc1Oc1ccc(Br)cc1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000072313785 556694108 /nfs/dbraw/zinc/69/41/08/556694108.db2.gz KEIKNRWYHJPAII-ZDUSSCGKSA-N 0 0 428.290 3.774 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCC(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)CC2)[nH]1 ZINC000033024298 556694774 /nfs/dbraw/zinc/69/47/74/556694774.db2.gz NHXUYMYYIBIMEB-OAQYLSRUSA-N 0 0 436.600 3.920 50 0 IHAARN Cc1cccc(OCCCNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 ZINC000024241005 556696327 /nfs/dbraw/zinc/69/63/27/556696327.db2.gz PKUCLZDKHBZGCD-UHFFFAOYSA-N 0 0 444.578 3.734 50 0 IHAARN CCc1cc2c(nc(SCC(=O)NCc3ccco3)n(Cc3ccco3)c2=O)s1 ZINC000013564819 556697692 /nfs/dbraw/zinc/69/76/92/556697692.db2.gz SQGBTWBIVPOFEF-UHFFFAOYSA-N 0 0 429.523 3.663 50 0 IHAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)CC1 ZINC000013574428 556699123 /nfs/dbraw/zinc/69/91/23/556699123.db2.gz UYWSKFLSHICYFF-UHFFFAOYSA-N 0 0 425.460 3.655 50 0 IHAARN COC(=O)c1ccccc1NC(=O)NCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033025429 556700807 /nfs/dbraw/zinc/70/08/07/556700807.db2.gz HAWVSOSNTYBQIG-UHFFFAOYSA-N 0 0 429.480 3.630 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 ZINC000033031875 556712505 /nfs/dbraw/zinc/71/25/05/556712505.db2.gz YXPZYMHZIQBUPV-UHFFFAOYSA-N 0 0 437.471 3.507 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCN(c2ccccc2)CC1 ZINC000033031832 556712554 /nfs/dbraw/zinc/71/25/54/556712554.db2.gz SXXNDOPKRJJIHW-UHFFFAOYSA-N 0 0 432.499 3.522 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138563154 556719162 /nfs/dbraw/zinc/71/91/62/556719162.db2.gz QJCURQTXLXBLPY-RCCFBDPRSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccc2c(ccn2CCNC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)c1 ZINC000072325270 556723392 /nfs/dbraw/zinc/72/33/92/556723392.db2.gz KAVYOLIUVIQGEK-UHFFFAOYSA-N 0 0 434.492 3.822 50 0 biogenic IHAARN CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)c[nH]2)n1 ZINC000061719781 556726634 /nfs/dbraw/zinc/72/66/34/556726634.db2.gz CJMQBXIHUXFLDE-UHFFFAOYSA-N 0 0 447.900 3.834 50 0 IHAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3N2)c1 ZINC000000884044 556734257 /nfs/dbraw/zinc/73/42/57/556734257.db2.gz ZXUNBFXBUDOGMM-ZWKOTPCHSA-N 0 0 431.418 3.877 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)CC1 ZINC000019311624 556735344 /nfs/dbraw/zinc/73/53/44/556735344.db2.gz UCDJCZCFZBCGQL-UHFFFAOYSA-N 0 0 434.627 3.690 50 0 IHAARN CC(C)c1ccc(CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000019311497 556735390 /nfs/dbraw/zinc/73/53/90/556735390.db2.gz PEQCDZJTGWJTIZ-UHFFFAOYSA-N 0 0 443.565 3.936 50 0 IHAARN O=C1C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000019313568 556735606 /nfs/dbraw/zinc/73/56/06/556735606.db2.gz VTIHBABYZWAUFQ-GOSISDBHSA-N 0 0 448.748 3.557 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000019313441 556735618 /nfs/dbraw/zinc/73/56/18/556735618.db2.gz XACHLAROTHMEPQ-FQEVSTJZSA-N 0 0 447.457 3.558 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)Cc2cccc3ccccc32)CCCC1 ZINC000078903216 556736292 /nfs/dbraw/zinc/73/62/92/556736292.db2.gz JFORTPACUQNKSF-UHFFFAOYSA-N 0 0 441.553 3.694 50 0 IHAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)CC1 ZINC000055245120 556738517 /nfs/dbraw/zinc/73/85/17/556738517.db2.gz YYGAAHDCQQYORB-NRFANRHFSA-N 0 0 432.568 3.614 50 0 IHAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)CC1 ZINC000055243805 556738689 /nfs/dbraw/zinc/73/86/89/556738689.db2.gz YOEJGZHZHHOVLG-LJQANCHMSA-N 0 0 443.975 3.541 50 0 IHAARN Cc1cc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1CCC(C)C ZINC000019353071 556744989 /nfs/dbraw/zinc/74/49/89/556744989.db2.gz VXWGJVQRNKXSIF-UHFFFAOYSA-N 0 0 443.475 3.533 50 0 IHAARN Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(C)(C)C)c1 ZINC000019367197 556746281 /nfs/dbraw/zinc/74/62/81/556746281.db2.gz FAXRMUHAIIMNQH-OAQYLSRUSA-N 0 0 440.584 3.579 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1OC ZINC000057487033 556747764 /nfs/dbraw/zinc/74/77/64/556747764.db2.gz QZAQXGMHGPQICP-UHFFFAOYSA-N 0 0 448.435 3.590 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000057487032 556747845 /nfs/dbraw/zinc/74/78/45/556747845.db2.gz SEUUTYJCFZRHRB-UHFFFAOYSA-N 0 0 448.435 3.590 50 0 IHAARN c1ccc(-c2cc(-c3nn4c(CN5CCOCC5)nnc4s3)c3ccccc3n2)cc1 ZINC000057524457 556748194 /nfs/dbraw/zinc/74/81/94/556748194.db2.gz CFJSLOOGGUZHQJ-UHFFFAOYSA-N 0 0 428.521 3.900 50 0 IHAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2c1ccn2Cc1ccccc1 ZINC000206241180 556749532 /nfs/dbraw/zinc/74/95/32/556749532.db2.gz WEBHMBGICHOJPQ-JOCHJYFZSA-N 0 0 438.487 3.769 50 0 IHAARN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000058010503 556753064 /nfs/dbraw/zinc/75/30/64/556753064.db2.gz RJBOASUZXNTETA-GOSISDBHSA-N 0 0 443.550 3.559 50 0 IHAARN C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058016239 556754024 /nfs/dbraw/zinc/75/40/24/556754024.db2.gz OZLPCAUPILKOBY-CQSZACIVSA-N 0 0 431.539 3.710 50 0 IHAARN CNC(=O)C1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058050163 556755382 /nfs/dbraw/zinc/75/53/82/556755382.db2.gz PZHVRINGQNPOCL-UHFFFAOYSA-N 0 0 446.551 3.891 50 0 IHAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000058077589 556756791 /nfs/dbraw/zinc/75/67/91/556756791.db2.gz YJTZIPNWAZWHMG-KRWDZBQOSA-N 0 0 446.433 3.894 50 0 IHAARN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000058114723 556759288 /nfs/dbraw/zinc/75/92/88/556759288.db2.gz KDPNLHBQNUXOTA-LJQANCHMSA-N 0 0 428.558 3.513 50 0 IHAARN O=C(Cc1ccc(Cl)cc1Cl)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000096544299 556760953 /nfs/dbraw/zinc/76/09/53/556760953.db2.gz ZQEDPLCMQWKORP-LZYBPNLTSA-N 0 0 436.320 3.784 50 0 IHAARN CC(=O)N(C)C1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC000058147413 556761974 /nfs/dbraw/zinc/76/19/74/556761974.db2.gz ALTLDGVZVJAMKN-UHFFFAOYSA-N 0 0 435.318 3.704 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c2nc3n(c2n1)CCCCC3 ZINC000058146963 556762008 /nfs/dbraw/zinc/76/20/08/556762008.db2.gz QOCQZEITKPRUPH-UHFFFAOYSA-N 0 0 449.536 3.914 50 0 IHAARN CCOC(=O)CN(CC(C)C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000058147723 556762012 /nfs/dbraw/zinc/76/20/12/556762012.db2.gz PIMJVEBXAOWIBI-UHFFFAOYSA-N 0 0 430.505 3.796 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)CC3 ZINC000061880695 556762545 /nfs/dbraw/zinc/76/25/45/556762545.db2.gz DQJQUIVKSRXPJX-UHFFFAOYSA-N 0 0 432.568 3.500 50 0 IHAARN C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccc1OC(F)(F)F ZINC000061984103 556763388 /nfs/dbraw/zinc/76/33/88/556763388.db2.gz RZGZJZNXJCWOFB-ZDUSSCGKSA-N 0 0 437.443 3.823 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000058159344 556763767 /nfs/dbraw/zinc/76/37/67/556763767.db2.gz CYRFGKKHCYASGZ-ZWKOTPCHSA-N 0 0 430.517 3.908 50 0 IHAARN COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000062001524 556764404 /nfs/dbraw/zinc/76/44/04/556764404.db2.gz WCNYTKMTUZDOOY-RUZDIDTESA-N 0 0 445.519 3.629 50 0 biogenic IHAARN COc1ccccc1Nc1nnc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000062007197 556765401 /nfs/dbraw/zinc/76/54/01/556765401.db2.gz WEZYDAWVKATINV-UHFFFAOYSA-N 0 0 443.960 3.835 50 0 IHAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N(Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000058162151 556765801 /nfs/dbraw/zinc/76/58/01/556765801.db2.gz NQJRTDSOGMQEEB-UHFFFAOYSA-N 0 0 448.527 3.718 50 0 IHAARN O=C(CN1CCN(c2ccccc2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000058171351 556768254 /nfs/dbraw/zinc/76/82/54/556768254.db2.gz XCGYWSVAWQPGPB-UHFFFAOYSA-N 0 0 449.576 3.875 50 0 IHAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000058194358 556770338 /nfs/dbraw/zinc/77/03/38/556770338.db2.gz REMZBZSSXSWNJP-SJCJKPOMSA-N 0 0 431.514 3.603 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000058249321 556775720 /nfs/dbraw/zinc/77/57/20/556775720.db2.gz OTGJXOHDLRJNPA-NRFANRHFSA-N 0 0 433.430 3.760 50 0 IHAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058289457 556777471 /nfs/dbraw/zinc/77/74/71/556777471.db2.gz HIYJGSOQZSHHLM-ADXLDGDMSA-N 0 0 449.595 3.896 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005383220 556777622 /nfs/dbraw/zinc/77/76/22/556777622.db2.gz IASNEQDWRXBECK-RGJWXQDMSA-N 0 0 430.541 3.952 50 0 IHAARN CCN(CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)OC(C)(C)C ZINC000058307500 556779277 /nfs/dbraw/zinc/77/92/77/556779277.db2.gz JZQXQXOKNDAVTL-IYBDPMFKSA-N 0 0 438.544 3.818 50 0 IHAARN CCCCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000058313873 556780081 /nfs/dbraw/zinc/78/00/81/556780081.db2.gz NVADDKYMGHMQET-JOCHJYFZSA-N 0 0 434.540 3.846 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)c4ccccc4CS3(=O)=O)cs2)cc1OC ZINC000058357921 556782968 /nfs/dbraw/zinc/78/29/68/556782968.db2.gz XAPQPROTQFFEJC-UHFFFAOYSA-N 0 0 444.534 3.703 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc21 ZINC000058376878 556783770 /nfs/dbraw/zinc/78/37/70/556783770.db2.gz IRYFEAQYOPASAE-GJZGRUSLSA-N 0 0 426.492 3.992 50 0 IHAARN CC(C)(C)c1nc(C(C)(C)NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)no1 ZINC000058378064 556783959 /nfs/dbraw/zinc/78/39/59/556783959.db2.gz XNSHCBCBEBOINH-UHFFFAOYSA-N 0 0 429.471 3.985 50 0 IHAARN O=C(C=Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1ccccc1 ZINC000002616940 556800317 /nfs/dbraw/zinc/80/03/17/556800317.db2.gz KNJAXMCSCFLLSX-NTCAYCPXSA-N 0 0 427.522 3.691 50 0 IHAARN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000060372633 556804978 /nfs/dbraw/zinc/80/49/78/556804978.db2.gz UIYLTSARQXEVMR-UHFFFAOYSA-N 0 0 439.899 3.937 50 0 IHAARN CCS(=O)(=O)c1ccccc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000059921372 556805461 /nfs/dbraw/zinc/80/54/61/556805461.db2.gz XICMMNCSQMBFOR-UHFFFAOYSA-N 0 0 429.517 3.714 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)c1 ZINC000097943889 556814848 /nfs/dbraw/zinc/81/48/48/556814848.db2.gz RKQZYBNCZGVYJW-HSZRJFAPSA-N 0 0 425.916 3.684 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1ccc(CO)cc1 ZINC000003418716 556814991 /nfs/dbraw/zinc/81/49/91/556814991.db2.gz NGWFFJGREJGBNY-UHFFFAOYSA-N 0 0 443.477 3.781 50 0 IHAARN COc1cc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)cc(OC)c1 ZINC000003467305 556816282 /nfs/dbraw/zinc/81/62/82/556816282.db2.gz ZCHJCZYPFNRVJU-UHFFFAOYSA-N 0 0 428.666 3.915 50 0 IHAARN O=C(COC(=O)c1ccccc1OCCOc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003478074 556816534 /nfs/dbraw/zinc/81/65/34/556816534.db2.gz KBWTWTRBFISIFZ-UHFFFAOYSA-N 0 0 435.432 3.669 50 0 IHAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000060390595 556818506 /nfs/dbraw/zinc/81/85/06/556818506.db2.gz YHCNIUXMGJDCHT-MOPGFXCFSA-N 0 0 435.549 3.857 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3cccc4c3CCCC4)n2)cc1 ZINC000033062888 556819238 /nfs/dbraw/zinc/81/92/38/556819238.db2.gz CTEXEDFGKMFQOB-UHFFFAOYSA-N 0 0 439.537 3.802 50 0 IHAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3cccc(F)c3)ccc21 ZINC000064983993 556829927 /nfs/dbraw/zinc/82/99/27/556829927.db2.gz SCISAVYXRHDVBT-HXUWFJFHSA-N 0 0 432.517 3.877 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000065002792 556830885 /nfs/dbraw/zinc/83/08/85/556830885.db2.gz HASSKDAKMVSWFC-UHFFFAOYSA-N 0 0 445.928 3.626 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(S(N)(=O)=O)c1C ZINC000019600331 556831014 /nfs/dbraw/zinc/83/10/14/556831014.db2.gz GNONXUHMLIXYMP-HNNXBMFYSA-N 0 0 429.567 3.580 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000019603449 556831066 /nfs/dbraw/zinc/83/10/66/556831066.db2.gz DXJCREDSDBCLSG-UHFFFAOYSA-N 0 0 444.484 3.667 50 0 IHAARN Cc1nn(C)cc1Cn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cn1 ZINC000019631760 556832712 /nfs/dbraw/zinc/83/27/12/556832712.db2.gz COAYGJIMOXAELO-UHFFFAOYSA-N 0 0 440.511 3.576 50 0 IHAARN CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000062580952 556836737 /nfs/dbraw/zinc/83/67/37/556836737.db2.gz WOTSKVOWOKYMBJ-UHFFFAOYSA-N 0 0 445.541 3.772 50 0 IHAARN CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000019640213 556837165 /nfs/dbraw/zinc/83/71/65/556837165.db2.gz IWRMESIVOLOJCI-UHFFFAOYSA-N 0 0 444.429 3.712 50 0 IHAARN O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997739 556838609 /nfs/dbraw/zinc/83/86/09/556838609.db2.gz ZDABERFKBFHCMF-UHFFFAOYSA-N 0 0 429.517 3.570 50 0 IHAARN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cnc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000066054366 556839738 /nfs/dbraw/zinc/83/97/38/556839738.db2.gz KGZNWUAFDKEFFW-ZWKOTPCHSA-N 0 0 445.560 3.530 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c(C)c1 ZINC000011214459 556843036 /nfs/dbraw/zinc/84/30/36/556843036.db2.gz CZFAEVSRBPSBIF-QHCPKHFHSA-N 0 0 426.582 3.972 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000011214578 556843338 /nfs/dbraw/zinc/84/33/38/556843338.db2.gz VXSSPCGSKUJHNR-HSZRJFAPSA-N 0 0 440.565 3.557 50 0 IHAARN Cc1cc(C)n(-c2ccc(NCCNC(=O)c3sc(-c4ccccc4)nc3C)nn2)n1 ZINC000067612826 556844396 /nfs/dbraw/zinc/84/43/96/556844396.db2.gz QGLZIRRZZGLOEW-UHFFFAOYSA-N 0 0 433.541 3.553 50 0 IHAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)nc21 ZINC000008780030 556846448 /nfs/dbraw/zinc/84/64/48/556846448.db2.gz SQWIHHYSGXMDST-UHFFFAOYSA-N 0 0 446.536 3.622 50 0 IHAARN O=C(CCCc1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000008862115 556851601 /nfs/dbraw/zinc/85/16/01/556851601.db2.gz WLNUCEORNWXCIX-UHFFFAOYSA-N 0 0 442.972 3.619 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)s1 ZINC000033078283 556853266 /nfs/dbraw/zinc/85/32/66/556853266.db2.gz MQLXZYGFWBMAPH-GOSISDBHSA-N 0 0 435.597 3.819 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3cc(OC)ccc3OC)sc2c1 ZINC000033088203 556856174 /nfs/dbraw/zinc/85/61/74/556856174.db2.gz LIKNWWJKDUJFQZ-CQSZACIVSA-N 0 0 436.493 3.982 50 0 IHAARN Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087508 556857640 /nfs/dbraw/zinc/85/76/40/556857640.db2.gz ONVBLQYDGPONBF-UHFFFAOYSA-N 0 0 436.537 3.715 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(Cl)ccc1OC ZINC000033124710 556864579 /nfs/dbraw/zinc/86/45/79/556864579.db2.gz XPGNDNGDHWDVON-QGZVFWFLSA-N 0 0 431.851 3.830 50 0 IHAARN CCOC(=O)CC1(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)C(C)C)CCCCC1 ZINC000033127610 556864801 /nfs/dbraw/zinc/86/48/01/556864801.db2.gz MWFQCCOLYJQDPL-NRFANRHFSA-N 0 0 429.561 3.556 50 0 IHAARN COc1cc(OC)c(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033125066 556866216 /nfs/dbraw/zinc/86/62/16/556866216.db2.gz GQDDVLAFCCGRJQ-UHFFFAOYSA-N 0 0 443.887 3.537 50 0 IHAARN O=C(NCc1ccccn1)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126902 556867797 /nfs/dbraw/zinc/86/77/97/556867797.db2.gz BCCBSWQJHUUBNL-UHFFFAOYSA-N 0 0 441.409 3.700 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c(C)c1 ZINC000033129749 556868990 /nfs/dbraw/zinc/86/89/90/556868990.db2.gz XVEKGHULFIQRBG-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129801 556869275 /nfs/dbraw/zinc/86/92/75/556869275.db2.gz UORJLRGKQRZPEB-UHFFFAOYSA-N 0 0 427.570 3.516 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141812 556878330 /nfs/dbraw/zinc/87/83/30/556878330.db2.gz LDHWNKRFGUKOBC-UHFFFAOYSA-N 0 0 444.534 3.921 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ccc(S(=O)(=O)C2CCCCC2)nn1 ZINC000033171526 556882643 /nfs/dbraw/zinc/88/26/43/556882643.db2.gz KVYFUZALITVSRO-UHFFFAOYSA-N 0 0 435.571 3.713 50 0 IHAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)N1CCN(c2ccccc2F)CC1 ZINC000033172683 556883086 /nfs/dbraw/zinc/88/30/86/556883086.db2.gz BWTRLIUCGMZXKG-UHFFFAOYSA-N 0 0 439.491 3.830 50 0 IHAARN CCCN1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2CC)CC1 ZINC000033173629 556883667 /nfs/dbraw/zinc/88/36/67/556883667.db2.gz YCXOKNZZFCYZHK-UHFFFAOYSA-N 0 0 431.480 3.639 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 ZINC000033170149 556885453 /nfs/dbraw/zinc/88/54/53/556885453.db2.gz KBHQEECFFYWMGQ-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN O=C(Nc1cccc2nsnc21)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033170518 556885800 /nfs/dbraw/zinc/88/58/00/556885800.db2.gz BEWZFJVBIIKIFH-UHFFFAOYSA-N 0 0 428.470 3.884 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000004712746 556890285 /nfs/dbraw/zinc/89/02/85/556890285.db2.gz LMZRCSYOVFOYLR-KPQWGBOZSA-N 0 0 428.598 3.909 50 0 IHAARN CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccc(OC)c(OC)c3)s2)cc1 ZINC000033251629 556892240 /nfs/dbraw/zinc/89/22/40/556892240.db2.gz BINORLNUVCTOKM-UHFFFAOYSA-N 0 0 427.482 3.894 50 0 IHAARN O=C(NCCc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033252016 556892489 /nfs/dbraw/zinc/89/24/89/556892489.db2.gz ZGAJAYDWFHLXJU-IBGZPJMESA-N 0 0 441.380 3.896 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5cccc(C)c5)n4n3)CC2)cc1 ZINC000033260217 556896847 /nfs/dbraw/zinc/89/68/47/556896847.db2.gz AHGBBDYMXPCGAV-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN C[C@H](NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)c1ccccc1 ZINC000033260392 556897115 /nfs/dbraw/zinc/89/71/15/556897115.db2.gz KXBBBVVYRXAJBO-SFHVURJKSA-N 0 0 426.524 3.885 50 0 IHAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCCN4CCOCC4)c3)ncn2)c1 ZINC000033260948 556897550 /nfs/dbraw/zinc/89/75/50/556897550.db2.gz UANZNOUXISODCT-UHFFFAOYSA-N 0 0 431.540 3.648 50 0 IHAARN Cc1ccccc1Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000019849853 556930662 /nfs/dbraw/zinc/93/06/62/556930662.db2.gz UDHYSFPQOAPLRN-UHFFFAOYSA-N 0 0 436.537 3.882 50 0 IHAARN O=C(NCCCN1CCOCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000019894421 556940316 /nfs/dbraw/zinc/94/03/16/556940316.db2.gz BFVRTWKUCXHWJI-UHFFFAOYSA-N 0 0 441.535 3.515 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000019898584 556941153 /nfs/dbraw/zinc/94/11/53/556941153.db2.gz YDCZBSAOVTWGKR-JOCHJYFZSA-N 0 0 429.476 4.000 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1C ZINC000019899254 556941483 /nfs/dbraw/zinc/94/14/83/556941483.db2.gz DWUPIONCRSVNMN-RMKNXTFCSA-N 0 0 429.572 3.645 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019901339 556942068 /nfs/dbraw/zinc/94/20/68/556942068.db2.gz VLCPLVZNJMYDPR-UHFFFAOYSA-N 0 0 447.922 3.547 50 0 IHAARN CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Br ZINC000019909462 556942892 /nfs/dbraw/zinc/94/28/92/556942892.db2.gz HZJVJVZCONFMNV-UHFFFAOYSA-N 0 0 439.375 3.749 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2CC)cc1 ZINC000019911142 556943116 /nfs/dbraw/zinc/94/31/16/556943116.db2.gz LLERMDDNTQRRDD-UHFFFAOYSA-N 0 0 430.411 3.860 50 0 IHAARN COc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1OC ZINC000033264055 556973512 /nfs/dbraw/zinc/97/35/12/556973512.db2.gz FOFAZPWFAHUZMS-OAQYLSRUSA-N 0 0 439.556 3.931 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2F)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000096996607 556978349 /nfs/dbraw/zinc/97/83/49/556978349.db2.gz XGIBZHNCRNVOPJ-UHFFFAOYSA-N 0 0 431.511 3.817 50 0 IHAARN C[C@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000020080480 556978660 /nfs/dbraw/zinc/97/86/60/556978660.db2.gz CBABYSJLHQKUAC-KRWDZBQOSA-N 0 0 436.581 3.662 50 0 IHAARN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000011234681 556979161 /nfs/dbraw/zinc/97/91/61/556979161.db2.gz PKOMSLGHVLRZJT-QHCPKHFHSA-N 0 0 426.582 3.972 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 ZINC000020095345 556979221 /nfs/dbraw/zinc/97/92/21/556979221.db2.gz QKEFEDBQGNKZSL-UHFFFAOYSA-N 0 0 431.492 3.523 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097087185 556983128 /nfs/dbraw/zinc/98/31/28/556983128.db2.gz IAUSSIQSLDOSHW-INIZCTEOSA-N 0 0 431.452 3.941 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1OC ZINC000033268629 556985229 /nfs/dbraw/zinc/98/52/29/556985229.db2.gz QCFCBAKEQTYKKR-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN COC(=O)c1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000020117111 556987141 /nfs/dbraw/zinc/98/71/41/556987141.db2.gz JYUMMFTUIWAPFT-KRWDZBQOSA-N 0 0 430.892 3.883 50 0 IHAARN COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000020149709 556990918 /nfs/dbraw/zinc/99/09/18/556990918.db2.gz NVIRVLKCEMVQSW-PKTZIBPZSA-N 0 0 442.556 3.879 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000097139336 556991912 /nfs/dbraw/zinc/99/19/12/556991912.db2.gz NVSLDJCZHRAHEF-HSZRJFAPSA-N 0 0 425.916 3.684 50 0 IHAARN O=S(=O)(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2CC1 ZINC000097162123 556993965 /nfs/dbraw/zinc/99/39/65/556993965.db2.gz YZTTVRAKDVQEDA-SFHVURJKSA-N 0 0 434.443 3.820 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1cc2ccccc2o1 ZINC000010675292 556995191 /nfs/dbraw/zinc/99/51/91/556995191.db2.gz OPHDRNQOLKYMOF-UHFFFAOYSA-N 0 0 434.481 3.612 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000011242990 556997072 /nfs/dbraw/zinc/99/70/72/556997072.db2.gz LKOSSHYZNMJJLS-UHFFFAOYSA-N 0 0 438.480 3.532 50 0 IHAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1=O ZINC000023104169 557000603 /nfs/dbraw/zinc/00/06/03/557000603.db2.gz OZCBAZZAPHMOSM-UHFFFAOYSA-N 0 0 425.533 3.627 50 0 IHAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(C3CCCC3)C2=O)cc1 ZINC000020248893 557003352 /nfs/dbraw/zinc/00/33/52/557003352.db2.gz VILHFIRZNNGJPQ-FQEVSTJZSA-N 0 0 425.460 3.943 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c1 ZINC000020289862 557005724 /nfs/dbraw/zinc/00/57/24/557005724.db2.gz QXFALPUOGKUGDE-UHFFFAOYSA-N 0 0 426.542 3.915 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCN1CCOCC1)C3=O ZINC000020308227 557006534 /nfs/dbraw/zinc/00/65/34/557006534.db2.gz IJINOUZSTVAPAZ-OAQYLSRUSA-N 0 0 438.911 3.632 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308736 557006757 /nfs/dbraw/zinc/00/67/57/557006757.db2.gz JCAFZMOHALGGFP-QHCPKHFHSA-N 0 0 432.520 3.596 50 0 IHAARN O=C(/C=C\c1ccc(Br)s1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000098001819 557012356 /nfs/dbraw/zinc/01/23/56/557012356.db2.gz KHCDHCILZQUPCB-UTCJRWHESA-N 0 0 431.237 3.902 50 0 IHAARN Cc1nn(CCC(=O)Nc2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000045998161 557015768 /nfs/dbraw/zinc/01/57/68/557015768.db2.gz OBYVMCNTWOGLFQ-UHFFFAOYSA-N 0 0 438.981 3.603 50 0 IHAARN CCn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Cl)cc3s2)n1 ZINC000023128292 557016274 /nfs/dbraw/zinc/01/62/74/557016274.db2.gz PDPRLIHDQANBKL-UHFFFAOYSA-N 0 0 433.965 3.535 50 0 IHAARN COc1cccc(CSc2nc(CC(=O)NCCc3c[nH]c4ccccc34)cc(=O)[nH]2)c1 ZINC000023138097 557018221 /nfs/dbraw/zinc/01/82/21/557018221.db2.gz QCCBNBFXOKJXKN-UHFFFAOYSA-N 0 0 448.548 3.866 50 0 IHAARN O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccn2)CC1 ZINC000023136875 557019210 /nfs/dbraw/zinc/01/92/10/557019210.db2.gz OMQKHEFAIIRGRQ-UHFFFAOYSA-N 0 0 431.468 3.846 50 0 IHAARN O=C(CCc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000010708458 557019445 /nfs/dbraw/zinc/01/94/45/557019445.db2.gz PNAISGVLAGSGKM-UHFFFAOYSA-N 0 0 445.343 3.598 50 0 IHAARN O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000010704989 557020020 /nfs/dbraw/zinc/02/00/20/557020020.db2.gz WGSFREKJMCAJQK-UHFFFAOYSA-N 0 0 447.000 3.656 50 0 IHAARN CCCc1noc(-c2cc(S(=O)(=O)N(CC)Cc3ccc(OC)cc3)ccc2OC)n1 ZINC000046020229 557020868 /nfs/dbraw/zinc/02/08/68/557020868.db2.gz HJFGOARCYVKPHN-UHFFFAOYSA-N 0 0 445.541 3.917 50 0 IHAARN CCCNC(=O)Cn1nc2c(c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)CSC2 ZINC000023138760 557022071 /nfs/dbraw/zinc/02/20/71/557022071.db2.gz GSTBKRSVJMAAQD-UHFFFAOYSA-N 0 0 436.965 3.606 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000046027722 557023990 /nfs/dbraw/zinc/02/39/90/557023990.db2.gz KREHPZBKLYJRRH-QGZVFWFLSA-N 0 0 443.613 3.792 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010755611 557024548 /nfs/dbraw/zinc/02/45/48/557024548.db2.gz FOSGLVCLNYSJJH-LBPRGKRZSA-N 0 0 429.361 3.550 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000023142842 557025080 /nfs/dbraw/zinc/02/50/80/557025080.db2.gz BJGZYVUEGRAIHZ-GOSISDBHSA-N 0 0 434.471 3.544 50 0 IHAARN Cc1cc(NC(=O)Cn2cnc3c4cccnc4sc3c2=O)ccc1Br ZINC000046053293 557026355 /nfs/dbraw/zinc/02/63/55/557026355.db2.gz ZMFMYOWHYNDJEM-UHFFFAOYSA-N 0 0 429.299 3.716 50 0 IHAARN COc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 ZINC000023145348 557026773 /nfs/dbraw/zinc/02/67/73/557026773.db2.gz KHJSPXDQZJTYOH-UHFFFAOYSA-N 0 0 440.544 3.714 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2N(C)C1=O ZINC000046053900 557027059 /nfs/dbraw/zinc/02/70/59/557027059.db2.gz ABVWKGSOMZQJPN-SFHVURJKSA-N 0 0 439.581 3.664 50 0 IHAARN COC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046058735 557029513 /nfs/dbraw/zinc/02/95/13/557029513.db2.gz LIFBYFSDLPYRLF-HNNXBMFYSA-N 0 0 432.567 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC[C@@H]4CCCO4)cc3c2)cc1 ZINC000046058622 557029540 /nfs/dbraw/zinc/02/95/40/557029540.db2.gz TZJMIXXLFLEYMJ-SFHVURJKSA-N 0 0 444.578 3.944 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)c1 ZINC000046074604 557030602 /nfs/dbraw/zinc/03/06/02/557030602.db2.gz GUXCSHNMAREYKZ-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000046074830 557031103 /nfs/dbraw/zinc/03/11/03/557031103.db2.gz BVWTVELQGNLXAX-GOSISDBHSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 ZINC000046075249 557031458 /nfs/dbraw/zinc/03/14/58/557031458.db2.gz MKXADNBFKVZUTN-OAHLLOKOSA-N 0 0 438.484 3.574 50 0 IHAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000046076298 557032319 /nfs/dbraw/zinc/03/23/19/557032319.db2.gz CXHKTWFTYWPNMQ-INIZCTEOSA-N 0 0 438.505 3.771 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046075714 557032427 /nfs/dbraw/zinc/03/24/27/557032427.db2.gz ZYPXNNAYZNADAM-HNNXBMFYSA-N 0 0 438.484 3.574 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C(C)C)n2C)c1 ZINC000098031867 557032645 /nfs/dbraw/zinc/03/26/45/557032645.db2.gz VWJWZGCPKPVYRD-XMMPIXPASA-N 0 0 446.551 3.782 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCCCC(=O)Nc2ccccc2)n1 ZINC000046087005 557036310 /nfs/dbraw/zinc/03/63/10/557036310.db2.gz DIKNZKZFEPWRDH-UHFFFAOYSA-N 0 0 437.363 3.890 50 0 IHAARN COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1OC ZINC000017207873 557038762 /nfs/dbraw/zinc/03/87/62/557038762.db2.gz WFFGKGXFJPFDCL-UHFFFAOYSA-N 0 0 431.470 3.500 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010860398 557039429 /nfs/dbraw/zinc/03/94/29/557039429.db2.gz CMAZXSIXSJCQPN-UHFFFAOYSA-N 0 0 442.459 3.898 50 0 IHAARN Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000046145963 557044287 /nfs/dbraw/zinc/04/42/87/557044287.db2.gz DBZSLAKRFDXTSI-UHFFFAOYSA-N 0 0 449.532 3.579 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000051357840 557045365 /nfs/dbraw/zinc/04/53/65/557045365.db2.gz BGMQFECSENZXPK-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000017294704 557046363 /nfs/dbraw/zinc/04/63/63/557046363.db2.gz GIAUBGNBHLTWMV-UHFFFAOYSA-N 0 0 447.560 3.718 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000022924555 557048122 /nfs/dbraw/zinc/04/81/22/557048122.db2.gz LVORSRWZLQKISD-QGZVFWFLSA-N 0 0 435.505 3.569 50 0 IHAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000048230981 557048946 /nfs/dbraw/zinc/04/89/46/557048946.db2.gz FMFQWJKKKLXFBG-HXUWFJFHSA-N 0 0 447.605 3.684 50 0 IHAARN COc1ccc([C@@H](NC(=O)CN2CCN(Cc3cccs3)CC2)c2ccccc2)cc1 ZINC000022928973 557049445 /nfs/dbraw/zinc/04/94/45/557049445.db2.gz CBFGDOVBKJXNLG-VWLOTQADSA-N 0 0 435.593 3.780 50 0 IHAARN COC(=O)c1cc(CN(C)C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)oc1C ZINC000048262067 557049517 /nfs/dbraw/zinc/04/95/17/557049517.db2.gz TUXHZZROGGMSMM-JOCHJYFZSA-N 0 0 448.475 3.589 50 0 IHAARN CC[C@@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000022929865 557049844 /nfs/dbraw/zinc/04/98/44/557049844.db2.gz YRQSDQYBOOQLFU-SFHVURJKSA-N 0 0 436.419 3.723 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000022930980 557050173 /nfs/dbraw/zinc/05/01/73/557050173.db2.gz LPBQTLDXHSDDSK-LJQANCHMSA-N 0 0 433.556 3.925 50 0 IHAARN CCN(CCCNC(=O)C[C@@H](C)CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1 ZINC000033272078 557050766 /nfs/dbraw/zinc/05/07/66/557050766.db2.gz XLBHHBMGNTVVIP-SFHVURJKSA-N 0 0 442.585 3.648 50 0 IHAARN COc1ccc(Cc2noc(CN3CCCN(Cc4ccc(F)cc4)CC3)n2)cc1OC ZINC000022932759 557050845 /nfs/dbraw/zinc/05/08/45/557050845.db2.gz IAVDHDJGIFTPHY-UHFFFAOYSA-N 0 0 440.519 3.525 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1C ZINC000022933450 557051076 /nfs/dbraw/zinc/05/10/76/557051076.db2.gz LEURMNHIUKHSRJ-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c2)c1 ZINC000048273861 557051084 /nfs/dbraw/zinc/05/10/84/557051084.db2.gz WFASWMWVVWLQDL-RTWAWAEBSA-N 0 0 428.554 3.888 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022933263 557051295 /nfs/dbraw/zinc/05/12/95/557051295.db2.gz CIZHAACPPKNFMQ-GOSISDBHSA-N 0 0 436.581 3.964 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1OCC ZINC000017315547 557054254 /nfs/dbraw/zinc/05/42/54/557054254.db2.gz SMAPVYSYFLYCCE-UHFFFAOYSA-N 0 0 432.542 3.839 50 0 IHAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 ZINC000022962971 557054707 /nfs/dbraw/zinc/05/47/07/557054707.db2.gz IEFOGEOUQHXEOJ-UTKZUKDTSA-N 0 0 430.570 3.680 50 0 IHAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)C(=O)NC3CCCC3)cc2)cc1 ZINC000048303421 557058726 /nfs/dbraw/zinc/05/87/26/557058726.db2.gz SVACAHOKMBOFOK-MRXNPFEDSA-N 0 0 432.542 3.603 50 0 IHAARN COc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccc1OC(F)F ZINC000017332523 557060328 /nfs/dbraw/zinc/06/03/28/557060328.db2.gz QMGUPZITJVFWAM-UHFFFAOYSA-N 0 0 436.274 3.846 50 0 IHAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000017336730 557060762 /nfs/dbraw/zinc/06/07/62/557060762.db2.gz ZWXGWHADFSTLPC-UHFFFAOYSA-N 0 0 442.566 3.561 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)c1C ZINC000082230468 557061433 /nfs/dbraw/zinc/06/14/33/557061433.db2.gz AXDQQFACVAQQPY-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000023070325 557061522 /nfs/dbraw/zinc/06/15/22/557061522.db2.gz IOJKILMQUKCEGR-CQSZACIVSA-N 0 0 426.498 3.962 50 0 IHAARN CC(=O)c1ccccc1OCCn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O ZINC000023077980 557062140 /nfs/dbraw/zinc/06/21/40/557062140.db2.gz PNJPFKHITWLVPE-UHFFFAOYSA-N 0 0 442.397 3.883 50 0 IHAARN Cn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccccc2Cl)no1)OCO3 ZINC000033279696 557062493 /nfs/dbraw/zinc/06/24/93/557062493.db2.gz FYSDVEPUHUJWOH-UHFFFAOYSA-N 0 0 428.857 3.658 50 0 IHAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 ZINC000048301248 557062596 /nfs/dbraw/zinc/06/25/96/557062596.db2.gz JCPPGZKNCHIFSD-FQEVSTJZSA-N 0 0 438.528 3.682 50 0 IHAARN CN(c1ccccc1)c1nc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000033287409 557064692 /nfs/dbraw/zinc/06/46/92/557064692.db2.gz PSROJCOGQMHHIO-UHFFFAOYSA-N 0 0 442.475 3.574 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1CC ZINC000033287533 557064979 /nfs/dbraw/zinc/06/49/79/557064979.db2.gz DKNJDYQAQVGOAU-HNNXBMFYSA-N 0 0 442.585 3.800 50 0 IHAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)C1 ZINC000048325346 557066229 /nfs/dbraw/zinc/06/62/29/557066229.db2.gz AUJQKVQVORQULC-INIZCTEOSA-N 0 0 430.555 3.509 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000017345212 557067054 /nfs/dbraw/zinc/06/70/54/557067054.db2.gz RATMQSRFHYMOAZ-UHFFFAOYSA-N 0 0 431.539 3.630 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1coc(-c2cccs2)n1 ZINC000010882469 557067636 /nfs/dbraw/zinc/06/76/36/557067636.db2.gz NBMXSGPSOLAZER-UHFFFAOYSA-N 0 0 440.550 3.760 50 0 IHAARN COc1ccc2oc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc2c1 ZINC000010882775 557067682 /nfs/dbraw/zinc/06/76/82/557067682.db2.gz SJBALSAJPKEQQN-UHFFFAOYSA-N 0 0 433.445 3.800 50 0 IHAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048333834 557068440 /nfs/dbraw/zinc/06/84/40/557068440.db2.gz WGSHRRMSLORYPL-HDICACEKSA-N 0 0 430.593 3.849 50 0 IHAARN CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccc(C)cc4)o3)CC2=O)cc1 ZINC000033291312 557069408 /nfs/dbraw/zinc/06/94/08/557069408.db2.gz KQNYORGNQFOBBF-OAHLLOKOSA-N 0 0 438.509 3.638 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023182722 557071233 /nfs/dbraw/zinc/07/12/33/557071233.db2.gz SECGQCFVDLLRCK-UHFFFAOYSA-N 0 0 427.932 3.763 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2=O)cc1OC ZINC000048356445 557073211 /nfs/dbraw/zinc/07/32/11/557073211.db2.gz DKLDZRYWRVPRSA-LLVKDONJSA-N 0 0 449.385 3.855 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000033299072 557075185 /nfs/dbraw/zinc/07/51/85/557075185.db2.gz CDVSPTDVNJFLHZ-UHFFFAOYSA-N 0 0 446.522 3.700 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000033299055 557075389 /nfs/dbraw/zinc/07/53/89/557075389.db2.gz BLCPALUATPQECR-UHFFFAOYSA-N 0 0 432.495 3.559 50 0 IHAARN O=C(Cn1cc(Br)ccc1=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000048373849 557076052 /nfs/dbraw/zinc/07/60/52/557076052.db2.gz GHUSMDKUEVNVEL-UHFFFAOYSA-N 0 0 429.299 3.854 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000023246031 557078040 /nfs/dbraw/zinc/07/80/40/557078040.db2.gz WJBZNDULNUBKHK-SFHVURJKSA-N 0 0 425.360 3.768 50 0 IHAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)NCCc2ccc(Cl)cc2)c3=O)c1 ZINC000033300176 557078580 /nfs/dbraw/zinc/07/85/80/557078580.db2.gz IJPDFDREFJMVGM-UHFFFAOYSA-N 0 0 438.940 3.841 50 0 IHAARN Cc1ccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)cc1 ZINC000049001984 557081406 /nfs/dbraw/zinc/08/14/06/557081406.db2.gz YOWHCAQWCUDHHA-UHFFFAOYSA-N 0 0 426.476 3.904 50 0 IHAARN CCOc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000048985713 557081998 /nfs/dbraw/zinc/08/19/98/557081998.db2.gz FAFQONJDBDKLAZ-UHFFFAOYSA-N 0 0 447.539 3.528 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cc(N)n2)cc1 ZINC000023290574 557082359 /nfs/dbraw/zinc/08/23/59/557082359.db2.gz BFXMVCMDRBQELL-HXUWFJFHSA-N 0 0 433.537 3.846 50 0 IHAARN COc1cc(C)c(CN2CCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1OC ZINC000023296282 557082851 /nfs/dbraw/zinc/08/28/51/557082851.db2.gz XBZHKKSFWFBQOM-UHFFFAOYSA-N 0 0 441.553 3.590 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(F)cc2F)c(=O)n3C(C)C)no1 ZINC000033306788 557084652 /nfs/dbraw/zinc/08/46/52/557084652.db2.gz UGHQDFIOAYJCHP-UHFFFAOYSA-N 0 0 427.411 3.659 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)s1 ZINC000033306409 557084719 /nfs/dbraw/zinc/08/47/19/557084719.db2.gz QMWMHGAFDVRHAT-VQHVLOKHSA-N 0 0 429.523 3.925 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c1 ZINC000049008664 557086615 /nfs/dbraw/zinc/08/66/15/557086615.db2.gz ABVHVPXIBOFDEY-UHFFFAOYSA-N 0 0 435.509 3.661 50 0 IHAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCN(c2ccccc2Cl)CC1 ZINC000049026189 557087991 /nfs/dbraw/zinc/08/79/91/557087991.db2.gz YGSCSVPLVAOXBT-UHFFFAOYSA-N 0 0 433.339 3.584 50 0 IHAARN O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)Nc1ccc2c(c1)OCO2 ZINC000049029045 557088648 /nfs/dbraw/zinc/08/86/48/557088648.db2.gz FFUYPSSDDQXHKK-UHFFFAOYSA-N 0 0 440.506 3.924 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCCC(=O)Nc1cccc2cccnc21 ZINC000049030731 557089207 /nfs/dbraw/zinc/08/92/07/557089207.db2.gz NQFKURQKEYCECG-UHFFFAOYSA-N 0 0 431.471 3.923 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000023409405 557091061 /nfs/dbraw/zinc/09/10/61/557091061.db2.gz HTGZAENAIAUTBB-UHFFFAOYSA-N 0 0 433.577 3.720 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000023434042 557092049 /nfs/dbraw/zinc/09/20/49/557092049.db2.gz MPKAVTDFKIZZPP-KXBFYZLASA-N 0 0 441.553 3.723 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023467213 557093167 /nfs/dbraw/zinc/09/31/67/557093167.db2.gz RVJHSLCCHMGGLH-OAHLLOKOSA-N 0 0 446.935 3.540 50 0 IHAARN CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3csc(-c4ccccc4)n3)cn2)cc1 ZINC000049343572 557094226 /nfs/dbraw/zinc/09/42/26/557094226.db2.gz YLADSQDJTRIHMB-UHFFFAOYSA-N 0 0 446.532 3.749 50 0 IHAARN COc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000033311866 557095112 /nfs/dbraw/zinc/09/51/12/557095112.db2.gz JTUFQDWLNNGKRR-UHFFFAOYSA-N 0 0 445.454 3.856 50 0 IHAARN CCCc1noc(Cn2cnc3c4cc(OC)ccc4n(Cc4ccc(F)cc4)c3c2=O)n1 ZINC000033311863 557095191 /nfs/dbraw/zinc/09/51/91/557095191.db2.gz FZPSEVLESOHGGP-UHFFFAOYSA-N 0 0 447.470 3.931 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033311371 557095445 /nfs/dbraw/zinc/09/54/45/557095445.db2.gz XGNVSYDCLXQZJZ-HXUWFJFHSA-N 0 0 435.568 3.920 50 0 IHAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3cccc(Cl)c3)ncn2)CC1 ZINC000033312103 557095861 /nfs/dbraw/zinc/09/58/61/557095861.db2.gz FEIQGBAUBPWNNI-UHFFFAOYSA-N 0 0 447.992 3.603 50 0 IHAARN O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000023541735 557097154 /nfs/dbraw/zinc/09/71/54/557097154.db2.gz CLDPVXORLXZVNF-DEOSSOPVSA-N 0 0 443.503 3.555 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2c(-c3ccncc3)nsc2c1=O ZINC000049401726 557097359 /nfs/dbraw/zinc/09/73/59/557097359.db2.gz BZOXYWSYIAAVDZ-UHFFFAOYSA-N 0 0 441.900 3.524 50 0 IHAARN Cc1ccc(CNC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1C ZINC000033312887 557097495 /nfs/dbraw/zinc/09/74/95/557097495.db2.gz XMXOKTRKNHDQHC-AREMUKBSSA-N 0 0 433.596 3.778 50 0 IHAARN CC(C)c1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3cccc(Cl)c3)NC2=O)c1 ZINC000049402980 557098582 /nfs/dbraw/zinc/09/85/82/557098582.db2.gz AOBUODDYDQAZPB-OAQYLSRUSA-N 0 0 439.899 3.979 50 0 IHAARN O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000017586275 557099051 /nfs/dbraw/zinc/09/90/51/557099051.db2.gz CCBVPTKDEXIGRU-UHFFFAOYSA-N 0 0 432.299 3.897 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Br)s1 ZINC000023637706 557101824 /nfs/dbraw/zinc/10/18/24/557101824.db2.gz MKFZRWAVNLMPFF-KRWDZBQOSA-N 0 0 434.359 3.698 50 0 IHAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000049408527 557103354 /nfs/dbraw/zinc/10/33/54/557103354.db2.gz CAPZMVVSJQAPQW-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(c5ccccc5C)CC4)n3)cc2)no1 ZINC000049408750 557103685 /nfs/dbraw/zinc/10/36/85/557103685.db2.gz UIARDPNICCDGDL-UHFFFAOYSA-N 0 0 442.523 3.756 50 0 IHAARN O=C(Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O)N1CCc2ccccc2C1 ZINC000049409938 557105321 /nfs/dbraw/zinc/10/53/21/557105321.db2.gz PRHGSAKDRSESAK-UHFFFAOYSA-N 0 0 428.517 3.619 50 0 IHAARN CC(C)Sc1ccc(CC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 ZINC000585147639 557105469 /nfs/dbraw/zinc/10/54/69/557105469.db2.gz LEXOFJMVFQEEDW-UHFFFAOYSA-N 0 0 445.610 3.580 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 ZINC000049411542 557106960 /nfs/dbraw/zinc/10/69/60/557106960.db2.gz ADLBYGJBKLVYMK-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN CSc1cccc(N2C(=O)N(Cc3c(C)noc3C)S(=O)(=O)c3cccnc32)c1 ZINC000049420948 557107407 /nfs/dbraw/zinc/10/74/07/557107407.db2.gz BIMWOYCLOMBWRE-UHFFFAOYSA-N 0 0 430.511 3.871 50 0 IHAARN O=C(NCC1CC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421092 557107487 /nfs/dbraw/zinc/10/74/87/557107487.db2.gz FCEVHEBTDMFTFO-UHFFFAOYSA-N 0 0 426.517 3.533 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325390 557107522 /nfs/dbraw/zinc/10/75/22/557107522.db2.gz SIIISKQWSIOFFO-INIZCTEOSA-N 0 0 449.985 3.597 50 0 IHAARN O=C(NCc1ccco1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421174 557107758 /nfs/dbraw/zinc/10/77/58/557107758.db2.gz RXDSQNJJBXOECR-INIZCTEOSA-N 0 0 434.521 3.777 50 0 IHAARN COc1ccccc1S(=O)(=O)N1CCC(Oc2nc3c(cc(F)cc3F)s2)CC1 ZINC000049444703 557109500 /nfs/dbraw/zinc/10/95/00/557109500.db2.gz QHJRPHQZQKSRGS-UHFFFAOYSA-N 0 0 440.493 3.815 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2N)cc1 ZINC000010921714 557109667 /nfs/dbraw/zinc/10/96/67/557109667.db2.gz IDMLXWSXIOIWJE-UHFFFAOYSA-N 0 0 438.340 3.629 50 0 IHAARN COc1cccc(N2c3c(sc(=O)n3C)[C@@H](c3ccc(OC)c(OC)c3)CC2=O)c1 ZINC000049546774 557111709 /nfs/dbraw/zinc/11/17/09/557111709.db2.gz OYEFEZNRSONLPA-MRXNPFEDSA-N 0 0 426.494 3.673 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(OC)c(OC)c1 ZINC000049549109 557112636 /nfs/dbraw/zinc/11/26/36/557112636.db2.gz QRJVKLKJEZULOE-QGZVFWFLSA-N 0 0 436.468 3.885 50 0 IHAARN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 ZINC000004778061 557112801 /nfs/dbraw/zinc/11/28/01/557112801.db2.gz WDBARFUIUPCRGZ-UHFFFAOYSA-N 0 0 428.982 3.660 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(OC)cc1OC ZINC000049551588 557113560 /nfs/dbraw/zinc/11/35/60/557113560.db2.gz LVUKSXKWTNQYME-GOSISDBHSA-N 0 0 436.468 3.885 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000049574057 557113786 /nfs/dbraw/zinc/11/37/86/557113786.db2.gz ZZYBZCMJVFSXGB-UHFFFAOYSA-N 0 0 435.568 3.953 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000033331766 557115572 /nfs/dbraw/zinc/11/55/72/557115572.db2.gz MSFLZFPTDPFVPP-UHFFFAOYSA-N 0 0 438.528 3.919 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000023777591 557115548 /nfs/dbraw/zinc/11/55/48/557115548.db2.gz MESIKEMYPMDWEF-RXVVDRJESA-N 0 0 435.503 3.709 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C ZINC000023794210 557116370 /nfs/dbraw/zinc/11/63/70/557116370.db2.gz TYSNKIQZXJKDOE-HSZRJFAPSA-N 0 0 441.535 3.976 50 0 IHAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000033332099 557116975 /nfs/dbraw/zinc/11/69/75/557116975.db2.gz CPDDBEJWRKGFEF-VWLOTQADSA-N 0 0 431.492 3.848 50 0 IHAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049590343 557116929 /nfs/dbraw/zinc/11/69/29/557116929.db2.gz CVBMEDGOEAXDKN-FPOVZHCZSA-N 0 0 433.552 3.538 50 0 IHAARN Cc1nc(COc2ccc(C(=O)OCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)no1 ZINC000014897579 557117658 /nfs/dbraw/zinc/11/76/58/557117658.db2.gz IMYZVSQQXRZPPE-MRXNPFEDSA-N 0 0 449.507 3.870 50 0 IHAARN CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1/C=C/N(C)C ZINC000049770880 557118834 /nfs/dbraw/zinc/11/88/34/557118834.db2.gz OQCUAOPFOAIWRQ-ZHACJKMWSA-N 0 0 430.306 3.571 50 0 IHAARN COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c(=O)c2cc1OC ZINC000023236909 557120233 /nfs/dbraw/zinc/12/02/33/557120233.db2.gz UZFGRYBCDVKRCS-UHFFFAOYSA-N 0 0 443.916 3.775 50 0 IHAARN O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023864671 557121020 /nfs/dbraw/zinc/12/10/20/557121020.db2.gz WWHRALHJZGQZEK-UHFFFAOYSA-N 0 0 436.581 3.715 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)NC3(CCCCC3)C1=O)CC2 ZINC000023873177 557121947 /nfs/dbraw/zinc/12/19/47/557121947.db2.gz BBEPPXJCKIKCGU-QHCPKHFHSA-N 0 0 449.551 3.864 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]1c1ccccc1C(F)(F)F ZINC000000629024 557122403 /nfs/dbraw/zinc/12/24/03/557122403.db2.gz FWJPLOPVAVJJMB-KUHUBIRLSA-N 0 0 439.430 3.835 50 0 IHAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)cc1 ZINC000098087223 557123778 /nfs/dbraw/zinc/12/37/78/557123778.db2.gz QMOIRHXNYJDLGR-KRWDZBQOSA-N 0 0 448.595 3.617 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4C[C@H](C)C[C@H](C)C4)cc3C2=O)c1 ZINC000017836840 557125192 /nfs/dbraw/zinc/12/51/92/557125192.db2.gz AODKRJFSQPLCSG-CALCHBBNSA-N 0 0 448.519 3.765 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1 ZINC000000650574 557126020 /nfs/dbraw/zinc/12/60/20/557126020.db2.gz ZBXCMYNTZTWTQX-QHCPKHFHSA-N 0 0 428.488 3.712 50 0 IHAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000023934931 557126240 /nfs/dbraw/zinc/12/62/40/557126240.db2.gz QGSNSUNVJIKTDR-FQEVSTJZSA-N 0 0 436.581 3.597 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(F)ccc2s1 ZINC000017912852 557128241 /nfs/dbraw/zinc/12/82/41/557128241.db2.gz CJGRJRODFJJOGO-UHFFFAOYSA-N 0 0 427.501 3.588 50 0 IHAARN CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc21 ZINC000023971257 557128612 /nfs/dbraw/zinc/12/86/12/557128612.db2.gz YDMQDYBKIAZLSE-CYBMUJFWSA-N 0 0 435.509 3.890 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nnnn1-c1ccccc1)CC2 ZINC000023983884 557129530 /nfs/dbraw/zinc/12/95/30/557129530.db2.gz AWOXSOVYGWHGEB-HSZRJFAPSA-N 0 0 433.537 3.889 50 0 IHAARN O=C(COc1ccc2cc(Br)ccc2c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000655444 557129640 /nfs/dbraw/zinc/12/96/40/557129640.db2.gz JMPFJANCNWEEDH-QGZVFWFLSA-N 0 0 449.198 3.788 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2Br)N2CCCC2)cc1 ZINC000023994260 557130563 /nfs/dbraw/zinc/13/05/63/557130563.db2.gz GZAOSKGBMBBMNE-GOSISDBHSA-N 0 0 439.375 3.573 50 0 IHAARN O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023995171 557130821 /nfs/dbraw/zinc/13/08/21/557130821.db2.gz ZJGNDSPCTJMHEM-OAQYLSRUSA-N 0 0 438.593 3.851 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(Br)cc(C)c2OC)cc(C(=O)OC)c1 ZINC000002861892 557133717 /nfs/dbraw/zinc/13/37/17/557133717.db2.gz NTVORNIBGAFMOG-UHFFFAOYSA-N 0 0 436.258 3.592 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000024777658 557137958 /nfs/dbraw/zinc/13/79/58/557137958.db2.gz ZFRJAGXMXODQKR-UHFFFAOYSA-N 0 0 449.579 3.832 50 0 IHAARN CC(C)Cn1c2nnc(CCCC(=O)N[C@H]3CCCC[C@H]3C)n2c2ccsc2c1=O ZINC000006868477 557138613 /nfs/dbraw/zinc/13/86/13/557138613.db2.gz PLELETOIYKGOAX-CVEARBPZSA-N 0 0 429.590 3.779 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 ZINC000000705325 557139664 /nfs/dbraw/zinc/13/96/64/557139664.db2.gz TWZXXWITUVRRQW-UHFFFAOYSA-N 0 0 427.551 3.808 50 0 IHAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)C1=O ZINC000024277811 557142946 /nfs/dbraw/zinc/14/29/46/557142946.db2.gz PCEAAAHNZWMTKB-QPPBQGQZSA-N 0 0 437.565 3.553 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011416855 557143176 /nfs/dbraw/zinc/14/31/76/557143176.db2.gz BCCUQMDYQVIFBL-HXUWFJFHSA-N 0 0 431.895 3.999 50 0 IHAARN COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C ZINC000011418431 557143471 /nfs/dbraw/zinc/14/34/71/557143471.db2.gz GZGJDHDCLGVENE-NRFANRHFSA-N 0 0 443.931 3.869 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 ZINC000024361350 557145338 /nfs/dbraw/zinc/14/53/38/557145338.db2.gz OOJXOBGBDHGQQD-UHFFFAOYSA-N 0 0 431.565 3.963 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000024367456 557145356 /nfs/dbraw/zinc/14/53/56/557145356.db2.gz QBAYVGYYCJLSGM-UHFFFAOYSA-N 0 0 447.582 3.601 50 0 IHAARN CC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)CCCCCC1 ZINC000024494951 557148500 /nfs/dbraw/zinc/14/85/00/557148500.db2.gz MJFSBCTZSNPDJX-UHFFFAOYSA-N 0 0 447.576 3.866 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc21 ZINC000000720019 557149577 /nfs/dbraw/zinc/14/95/77/557149577.db2.gz MRGONLXKBOFHRW-UHFFFAOYSA-N 0 0 435.509 3.892 50 0 IHAARN Nc1nnc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)s1 ZINC000024527683 557150035 /nfs/dbraw/zinc/15/00/35/557150035.db2.gz UDSZVEVNMFZPAB-UHFFFAOYSA-N 0 0 448.624 3.837 50 0 IHAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc(OC)c1OC ZINC000011451367 557150116 /nfs/dbraw/zinc/15/01/16/557150116.db2.gz NPPUBIHWEXEHPD-UHFFFAOYSA-N 0 0 439.493 3.973 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000024527749 557150161 /nfs/dbraw/zinc/15/01/61/557150161.db2.gz SHOFVAJXQDZONF-LLVKDONJSA-N 0 0 426.826 3.954 50 0 IHAARN Cc1ccc(C)c2sc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)nc21 ZINC000024553977 557151088 /nfs/dbraw/zinc/15/10/88/557151088.db2.gz OAYWGPYLWZRZQG-UHFFFAOYSA-N 0 0 429.976 3.887 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)CSCc3c(C)noc3C)cc2)c1C ZINC000024572594 557151597 /nfs/dbraw/zinc/15/15/97/557151597.db2.gz SAURRPSFAHOIHF-UHFFFAOYSA-N 0 0 428.514 3.834 50 0 IHAARN C[C@H](C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1)n1cncn1 ZINC000024583585 557152242 /nfs/dbraw/zinc/15/22/42/557152242.db2.gz YJTAZUBLQCOMSR-CQSZACIVSA-N 0 0 427.892 3.927 50 0 IHAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000024820645 557153573 /nfs/dbraw/zinc/15/35/73/557153573.db2.gz ROEPJLJMJDPUCI-MRXNPFEDSA-N 0 0 426.904 3.674 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000024608799 557154393 /nfs/dbraw/zinc/15/43/93/557154393.db2.gz ZVWAPXGEBJOSSK-UHFFFAOYSA-N 0 0 430.614 3.622 50 0 IHAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610693 557154819 /nfs/dbraw/zinc/15/48/19/557154819.db2.gz VVULFJDLBYWXBX-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000024611418 557155115 /nfs/dbraw/zinc/15/51/15/557155115.db2.gz QYKAFYIUYZBHFR-UHFFFAOYSA-N 0 0 430.570 3.963 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000024612270 557155443 /nfs/dbraw/zinc/15/54/43/557155443.db2.gz SEEKLNDIVIHERM-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Br)cc1Cl ZINC000010959141 557156937 /nfs/dbraw/zinc/15/69/37/557156937.db2.gz QTDWFXLTYOYGLF-UHFFFAOYSA-N 0 0 440.750 3.826 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000024713591 557159960 /nfs/dbraw/zinc/15/99/60/557159960.db2.gz RMTUCPZNQZFGIH-UHFFFAOYSA-N 0 0 434.473 3.564 50 0 IHAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000024749094 557161951 /nfs/dbraw/zinc/16/19/51/557161951.db2.gz CVSVJBRNOZZXIE-MCSIRMTHSA-N 0 0 448.611 3.905 50 0 IHAARN CC(=O)c1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000095929346 557162013 /nfs/dbraw/zinc/16/20/13/557162013.db2.gz UAGVTSOSWGDITM-HSZRJFAPSA-N 0 0 426.476 3.851 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000024754566 557162918 /nfs/dbraw/zinc/16/29/18/557162918.db2.gz GYUJMTCSATXILW-UHFFFAOYSA-N 0 0 446.935 3.966 50 0 IHAARN CCC(CC)[C@H](CNC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CCOCC1 ZINC000024758825 557163949 /nfs/dbraw/zinc/16/39/49/557163949.db2.gz HCVBGTMVNGGDQG-NXEWRWPSSA-N 0 0 426.692 3.852 50 0 IHAARN CCSc1nnc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)s1 ZINC000024765953 557165223 /nfs/dbraw/zinc/16/52/23/557165223.db2.gz KCGQDMZHOFTECU-UHFFFAOYSA-N 0 0 425.601 3.992 50 0 IHAARN CCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000024771933 557165863 /nfs/dbraw/zinc/16/58/63/557165863.db2.gz OKHSEXFOVHWYJQ-CYBMUJFWSA-N 0 0 437.425 3.608 50 0 IHAARN CCOc1ccc(OC[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000024843864 557168173 /nfs/dbraw/zinc/16/81/73/557168173.db2.gz WQLTXUZLQKZUKE-OAQYLSRUSA-N 0 0 441.549 3.716 50 0 IHAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206981365 557168576 /nfs/dbraw/zinc/16/85/76/557168576.db2.gz CVFQANHHGNPVMX-UHFFFAOYSA-N 0 0 434.867 3.978 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000024871633 557173611 /nfs/dbraw/zinc/17/36/11/557173611.db2.gz NHNYFVAXKXZGPD-ZDUSSCGKSA-N 0 0 437.587 3.522 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 ZINC000024923694 557178959 /nfs/dbraw/zinc/17/89/59/557178959.db2.gz URNUMYTWKNWOBV-JKSUJKDBSA-N 0 0 440.540 3.640 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccccc2Br)cc1 ZINC000024922962 557179139 /nfs/dbraw/zinc/17/91/39/557179139.db2.gz YRFJKJHEBUJVFQ-HOTGVXAUSA-N 0 0 432.362 3.894 50 0 IHAARN CCC(=O)c1ccc(OC[C@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000024925264 557179886 /nfs/dbraw/zinc/17/98/86/557179886.db2.gz SAZZKXWCMUOYAX-WMLDXEAASA-N 0 0 440.565 3.924 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1OC ZINC000010970434 557182035 /nfs/dbraw/zinc/18/20/35/557182035.db2.gz TZBRUHQYBVVMGY-UHFFFAOYSA-N 0 0 425.510 3.916 50 0 IHAARN CC(C)(C)CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000096203321 557183023 /nfs/dbraw/zinc/18/30/23/557183023.db2.gz XBVKCLKFIIXVAN-UHFFFAOYSA-N 0 0 433.549 3.711 50 0 IHAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000024968884 557183408 /nfs/dbraw/zinc/18/34/08/557183408.db2.gz YEAUVNXNXHPGFI-HSZRJFAPSA-N 0 0 448.567 3.635 50 0 IHAARN CC[C@H](Sc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccccc1 ZINC000009302497 557185460 /nfs/dbraw/zinc/18/54/60/557185460.db2.gz MIYBOWCHVYBRFE-KDOFPFPSSA-N 0 0 441.532 3.955 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000024985934 557186445 /nfs/dbraw/zinc/18/64/45/557186445.db2.gz KATBYHKPMXMTQK-UHFFFAOYSA-N 0 0 435.796 3.671 50 0 IHAARN COc1cccc(-c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccccc2)c1 ZINC000024985782 557186469 /nfs/dbraw/zinc/18/64/69/557186469.db2.gz BLAICWJVNYOOTL-AWEZNQCLSA-N 0 0 448.556 3.629 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2CC)cc1 ZINC000100821239 557187900 /nfs/dbraw/zinc/18/79/00/557187900.db2.gz NSECZPCIIOARMW-QURGRASLSA-N 0 0 431.583 3.884 50 0 IHAARN C/C=C/C=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O ZINC000098004104 557189554 /nfs/dbraw/zinc/18/95/54/557189554.db2.gz ZUMVRUCZPYYRSK-SOURMSKZSA-N 0 0 438.452 3.581 50 0 IHAARN C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCO2 ZINC000025102757 557195446 /nfs/dbraw/zinc/19/54/46/557195446.db2.gz MXONSFKDHOFDAY-INIZCTEOSA-N 0 0 437.492 3.678 50 0 IHAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000025128523 557195860 /nfs/dbraw/zinc/19/58/60/557195860.db2.gz KTAWRPWKNMRAMZ-UHFFFAOYSA-N 0 0 445.857 3.690 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025153344 557197252 /nfs/dbraw/zinc/19/72/52/557197252.db2.gz BDHGIYHIDUHEPW-INIZCTEOSA-N 0 0 426.488 3.827 50 0 IHAARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025153578 557197318 /nfs/dbraw/zinc/19/73/18/557197318.db2.gz YNSSKMMLRLLOAJ-QGZVFWFLSA-N 0 0 445.519 3.928 50 0 IHAARN Cc1nn(C)c2ncc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)cc12 ZINC000025163461 557197948 /nfs/dbraw/zinc/19/79/48/557197948.db2.gz VDKHYIKNEHJLET-UHFFFAOYSA-N 0 0 433.472 3.977 50 0 IHAARN CCc1nc(C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316746 557198846 /nfs/dbraw/zinc/19/88/46/557198846.db2.gz XRPQSBMWHJKXSG-UHFFFAOYSA-N 0 0 435.494 3.761 50 0 IHAARN COCCOc1cc(NC(=O)Cn2c(=S)[nH]nc2-c2cccc(C)c2)ccc1OC ZINC000025226128 557200439 /nfs/dbraw/zinc/20/04/39/557200439.db2.gz NPGRHFKULXVOPJ-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000000794035 557200462 /nfs/dbraw/zinc/20/04/62/557200462.db2.gz ISWCTMBNROBZQV-SFHVURJKSA-N 0 0 428.535 3.511 50 0 IHAARN CCOC(=O)COc1cc(-n2c(=O)c3ccccc3[nH]c2=S)c(Cl)cc1Cl ZINC000100921109 557202001 /nfs/dbraw/zinc/20/20/01/557202001.db2.gz DRRHYUKUYDOMEW-UHFFFAOYSA-N 0 0 425.293 3.923 50 0 IHAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100923323 557202144 /nfs/dbraw/zinc/20/21/44/557202144.db2.gz HDGRGYIOPAXWKP-SMDDNHRTSA-N 0 0 430.169 3.700 50 0 IHAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025339555 557204926 /nfs/dbraw/zinc/20/49/26/557204926.db2.gz SCMZQHMXWPXBIX-LBPRGKRZSA-N 0 0 438.837 3.797 50 0 IHAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000025342963 557205327 /nfs/dbraw/zinc/20/53/27/557205327.db2.gz ZOTULPVIBOXGQT-UHFFFAOYSA-N 0 0 438.535 3.659 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000025378847 557206255 /nfs/dbraw/zinc/20/62/55/557206255.db2.gz NNYXBZWGXUHYAL-AWEZNQCLSA-N 0 0 433.555 3.925 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C ZINC000011603295 557207519 /nfs/dbraw/zinc/20/75/19/557207519.db2.gz RMKFWRRICSBXFG-LPHOPBHVSA-N 0 0 433.961 3.571 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000025406969 557208648 /nfs/dbraw/zinc/20/86/48/557208648.db2.gz DHKQUSONMLQPMP-UHFFFAOYSA-N 0 0 427.555 3.997 50 0 IHAARN CCCn1ccnc1SCC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C1CC1 ZINC000025460351 557211261 /nfs/dbraw/zinc/21/12/61/557211261.db2.gz DHLLBONLOMZJGC-LJQANCHMSA-N 0 0 426.542 3.741 50 0 IHAARN COc1ccc(OC)c(-c2c(Nc3ccc(C)cc3C)oc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000011615612 557211517 /nfs/dbraw/zinc/21/15/17/557211517.db2.gz BRBJGGITMIKYCV-UHFFFAOYSA-N 0 0 435.480 3.875 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000169770370 557211712 /nfs/dbraw/zinc/21/17/12/557211712.db2.gz HSXXYQJPWGCPFX-UHFFFAOYSA-N 0 0 448.420 3.797 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247743916 557212783 /nfs/dbraw/zinc/21/27/83/557212783.db2.gz PHGWNIYLGMQIHQ-LWSSLDFYSA-N 0 0 435.483 3.841 50 0 IHAARN O=C(c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)N(CCO)c1ccccc1 ZINC000022358284 557220198 /nfs/dbraw/zinc/22/01/98/557220198.db2.gz DTQBROFCLHCUJU-UHFFFAOYSA-N 0 0 443.484 3.736 50 0 IHAARN Cc1cccc(OCCN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000010999365 557221676 /nfs/dbraw/zinc/22/16/76/557221676.db2.gz QWDXMLSYOHPUDY-UHFFFAOYSA-N 0 0 425.554 3.642 50 0 IHAARN COc1ccc(CCNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC ZINC000000803878 557222563 /nfs/dbraw/zinc/22/25/63/557222563.db2.gz QHVGSMBQJNRQTH-UHFFFAOYSA-N 0 0 434.521 3.930 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000000805003 557224274 /nfs/dbraw/zinc/22/42/74/557224274.db2.gz NYJBZSCFWFXJKH-UHFFFAOYSA-N 0 0 449.576 3.539 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2ccccc2-c2ccccc2)N2CCOCC2)cc1 ZINC000025777427 557225464 /nfs/dbraw/zinc/22/54/64/557225464.db2.gz OAHZHDRFSQMGHK-VWLOTQADSA-N 0 0 446.547 3.931 50 0 IHAARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc(F)c1F ZINC000025807450 557227146 /nfs/dbraw/zinc/22/71/46/557227146.db2.gz BIUSJMIVFHFZHX-QHCPKHFHSA-N 0 0 428.435 3.643 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n1 ZINC000025806171 557227154 /nfs/dbraw/zinc/22/71/54/557227154.db2.gz UBKOLLUYJFHAEI-UHFFFAOYSA-N 0 0 449.330 3.758 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011363732 557228485 /nfs/dbraw/zinc/22/84/85/557228485.db2.gz PVQLNCVOJKJJPT-GJZGRUSLSA-N 0 0 427.501 3.834 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000011528013 557229800 /nfs/dbraw/zinc/22/98/00/557229800.db2.gz ZKSKRFYDORXBHK-RHSMWYFYSA-N 0 0 437.993 3.873 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000025956355 557231052 /nfs/dbraw/zinc/23/10/52/557231052.db2.gz CACFMTIMCKDEGP-SQJMNOBHSA-N 0 0 446.576 3.952 50 0 IHAARN O=C(Cn1cnc2ccsc2c1=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000026019242 557232242 /nfs/dbraw/zinc/23/22/42/557232242.db2.gz OGPYQXLQDNARTN-CQSZACIVSA-N 0 0 426.548 3.959 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC ZINC000011693363 557232207 /nfs/dbraw/zinc/23/22/07/557232207.db2.gz PEVSHRZHDIFOON-UHFFFAOYSA-N 0 0 425.460 3.794 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3F)n2)cc1F ZINC000098211473 557234910 /nfs/dbraw/zinc/23/49/10/557234910.db2.gz XQYSRYHSOREALY-UHFFFAOYSA-N 0 0 442.397 3.947 50 0 IHAARN O=C(Cc1ccccc1Br)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000098211663 557235088 /nfs/dbraw/zinc/23/50/88/557235088.db2.gz OVONVBBLSMONQV-UHFFFAOYSA-N 0 0 425.330 3.731 50 0 IHAARN Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000026121632 557235174 /nfs/dbraw/zinc/23/51/74/557235174.db2.gz JHHIIJVJASAMFE-UHFFFAOYSA-N 0 0 436.556 3.721 50 0 IHAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121727 557235198 /nfs/dbraw/zinc/23/51/98/557235198.db2.gz SGXIZSCXQYWODG-UHFFFAOYSA-N 0 0 428.920 3.559 50 0 IHAARN NC(=O)CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1cccs1 ZINC000026122409 557235584 /nfs/dbraw/zinc/23/55/84/557235584.db2.gz JNQASWPXQZAOIF-UHFFFAOYSA-N 0 0 429.502 3.968 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000026131036 557236213 /nfs/dbraw/zinc/23/62/13/557236213.db2.gz HBXPOYONFUYMJB-UHFFFAOYSA-N 0 0 430.545 3.764 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000018099387 557236752 /nfs/dbraw/zinc/23/67/52/557236752.db2.gz DCBWFIPPVGKLLA-UHFFFAOYSA-N 0 0 436.512 3.610 50 0 IHAARN O=C(CCC1CCCCC1)NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 ZINC000583649722 557240630 /nfs/dbraw/zinc/24/06/30/557240630.db2.gz WNUHOTJSSCHIBB-GOSISDBHSA-N 0 0 428.508 3.702 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(C(C)C)cc2)c1N ZINC000583648252 557241658 /nfs/dbraw/zinc/24/16/58/557241658.db2.gz LTJSHQLINPVOLX-UHFFFAOYSA-N 0 0 442.907 3.537 50 0 IHAARN COc1cc(-c2ccc(NC(=O)[C@H]3CCCO3)c(OC)c2)ccc1NC(=O)[C@H]1CCCO1 ZINC000013967513 557247727 /nfs/dbraw/zinc/24/77/27/557247727.db2.gz JNBCHAYFNOVUOZ-WOJBJXKFSA-N 0 0 440.496 3.606 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000026783282 557248894 /nfs/dbraw/zinc/24/88/94/557248894.db2.gz LGEQWNGPISWTAH-UHFFFAOYSA-N 0 0 440.569 3.699 50 0 IHAARN COC(=O)c1cccc(-n2c(N)c(C(=O)NCc3ccc(OC)cc3)sc2=S)c1 ZINC000032952495 557250178 /nfs/dbraw/zinc/25/01/78/557250178.db2.gz YXPKPBZVLIPUDR-UHFFFAOYSA-N 0 0 429.523 3.576 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018205937 557251780 /nfs/dbraw/zinc/25/17/80/557251780.db2.gz KJVGAKSWUZWNON-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN CC(C)NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1C ZINC000032952804 557253533 /nfs/dbraw/zinc/25/35/33/557253533.db2.gz MMHFBIFMJIWNOL-UHFFFAOYSA-N 0 0 441.003 3.785 50 0 IHAARN CSCC[C@@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101098323 557255022 /nfs/dbraw/zinc/25/50/22/557255022.db2.gz LZUWOZFMXDXUCZ-LZWOXQAQSA-N 0 0 431.583 3.556 50 0 IHAARN COc1cccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(OC)c2)c1 ZINC000101113930 557256276 /nfs/dbraw/zinc/25/62/76/557256276.db2.gz JXSFGCSBHHTSGO-HPNDGRJYSA-N 0 0 430.464 3.528 50 0 IHAARN COc1cccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2c(F)cccc2F)c1 ZINC000101113925 557256332 /nfs/dbraw/zinc/25/63/32/557256332.db2.gz LBSFQMLIUGVURK-SGWCAAJKSA-N 0 0 436.418 3.798 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N[C@H]1CCOc2ccccc21 ZINC000027126142 557257626 /nfs/dbraw/zinc/25/76/26/557257626.db2.gz RSCABBAZJHGGHF-INIZCTEOSA-N 0 0 444.944 3.780 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1 ZINC000027159977 557258301 /nfs/dbraw/zinc/25/83/01/557258301.db2.gz WGSUQFYUDSJNDC-FQEVSTJZSA-N 0 0 434.565 3.665 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1 ZINC000027159981 557258303 /nfs/dbraw/zinc/25/83/03/557258303.db2.gz WGSUQFYUDSJNDC-HXUWFJFHSA-N 0 0 434.565 3.665 50 0 IHAARN O=C(Nc1ccc(OC[C@@H](O)COCc2ccc3c(c2)OCO3)cc1)c1cccs1 ZINC000027213909 557258787 /nfs/dbraw/zinc/25/87/87/557258787.db2.gz SMCDHMPLSCUELL-KRWDZBQOSA-N 0 0 427.478 3.686 50 0 IHAARN O=C(COC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCCCCCC1 ZINC000027237077 557259179 /nfs/dbraw/zinc/25/91/79/557259179.db2.gz BLZPQCCYJNFXKM-SFTDATJTSA-N 0 0 426.557 3.718 50 0 IHAARN CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)c2ccccc2)CO1 ZINC000101228357 557263797 /nfs/dbraw/zinc/26/37/97/557263797.db2.gz GNVHJNSLMGALPE-UHFFFAOYSA-N 0 0 449.532 3.719 50 0 IHAARN O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000027937058 557265346 /nfs/dbraw/zinc/26/53/46/557265346.db2.gz ZGGKSTMCNPILRP-UHFFFAOYSA-N 0 0 432.196 3.909 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000821112 557267844 /nfs/dbraw/zinc/26/78/44/557267844.db2.gz QVBFZNSVQNUGJA-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000101294054 557285778 /nfs/dbraw/zinc/28/57/78/557285778.db2.gz YSSHHCWKAKAHJL-IRXDYDNUSA-N 0 0 436.413 3.699 50 0 IHAARN CCOc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=Nc2nnnn21 ZINC000101641661 557292229 /nfs/dbraw/zinc/29/22/29/557292229.db2.gz YAOGEFWRNVUFNN-INIZCTEOSA-N 0 0 445.264 3.732 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000101790729 557295670 /nfs/dbraw/zinc/29/56/70/557295670.db2.gz APARKEVXSWZVIP-FDFHNCONSA-N 0 0 446.434 3.663 50 0 IHAARN O=C(CCNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)NC1CCCCC1 ZINC000072307095 557297681 /nfs/dbraw/zinc/29/76/81/557297681.db2.gz WMYMXAKEFZTSSG-FQEVSTJZSA-N 0 0 436.394 3.541 50 0 IHAARN O=C(Cc1cn2ccccc2n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000032033236 557300727 /nfs/dbraw/zinc/30/07/27/557300727.db2.gz JDTCEUCCZRDJCC-UHFFFAOYSA-N 0 0 440.912 3.970 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4ccccc4C)c3=O)[nH]2)cc1 ZINC000101834968 557301667 /nfs/dbraw/zinc/30/16/67/557301667.db2.gz VZSOXPXAJUQYOK-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014093481 557302429 /nfs/dbraw/zinc/30/24/29/557302429.db2.gz DWWGFSMWOXUMCL-LLVKDONJSA-N 0 0 428.568 3.963 50 0 IHAARN CC[C@@H](C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000014108857 557303823 /nfs/dbraw/zinc/30/38/23/557303823.db2.gz IHPBJRLMNCVUHT-HUUCEWRRSA-N 0 0 439.537 3.893 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)cc1 ZINC000102642525 557304566 /nfs/dbraw/zinc/30/45/66/557304566.db2.gz OZENKDBZZCUWAR-LPTQZCDUSA-N 0 0 435.476 3.661 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)[C@H](C(C)C)C(=O)N4)CC2)c1C ZINC000101984101 557309809 /nfs/dbraw/zinc/30/98/09/557309809.db2.gz CCYAKUNALDXPHL-QFIPXVFZSA-N 0 0 427.570 3.506 50 0 IHAARN C[C@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000014171091 557313491 /nfs/dbraw/zinc/31/34/91/557313491.db2.gz VQSRDBGXYVSVMU-YJBOKZPZSA-N 0 0 448.504 3.876 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000014182635 557314210 /nfs/dbraw/zinc/31/42/10/557314210.db2.gz NQNJBVNLFXFWIY-UHFFFAOYSA-N 0 0 444.466 3.544 50 0 IHAARN CCCn1c(C)cc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C ZINC000014183353 557314241 /nfs/dbraw/zinc/31/42/41/557314241.db2.gz JSTUCFSRYYZITM-FMIVXFBMSA-N 0 0 443.613 3.760 50 0 IHAARN CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2n1 ZINC000014190198 557315249 /nfs/dbraw/zinc/31/52/49/557315249.db2.gz SQRDZLIRVOUZLF-UHFFFAOYSA-N 0 0 441.528 3.644 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H]1C ZINC000102216519 557315527 /nfs/dbraw/zinc/31/55/27/557315527.db2.gz KCOWZJVWDSEXQU-WWMYMODYSA-N 0 0 444.553 3.585 50 0 IHAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000032820054 557316149 /nfs/dbraw/zinc/31/61/49/557316149.db2.gz DTQVZUQAEFFGNZ-DEOSSOPVSA-N 0 0 428.488 3.809 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cn2)n1 ZINC000032912302 557317477 /nfs/dbraw/zinc/31/74/77/557317477.db2.gz ZUBFYENOCLSNGV-SELVFMLMSA-N 0 0 436.556 3.762 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccccc3C)s2)cc1 ZINC000032987106 557321635 /nfs/dbraw/zinc/32/16/35/557321635.db2.gz LMPWAINPEFUAFC-UHFFFAOYSA-N 0 0 426.567 3.957 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000014249855 557330228 /nfs/dbraw/zinc/33/02/28/557330228.db2.gz IWXAAZLQKKHCLW-UHFFFAOYSA-N 0 0 429.270 3.990 50 0 IHAARN O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)Nc1ccc(F)cc1 ZINC000033301398 557330989 /nfs/dbraw/zinc/33/09/89/557330989.db2.gz ICIJEOYEHZCVHI-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100147286 557335163 /nfs/dbraw/zinc/33/51/63/557335163.db2.gz JYLAVTHXZBREAH-NRFANRHFSA-N 0 0 442.943 3.744 50 0 IHAARN COC(=O)c1cc(=O)n(CCc2ccc(OC)cc2)/c(=N/c2ccc(F)c(Cl)c2)s1 ZINC000100163625 557339196 /nfs/dbraw/zinc/33/91/96/557339196.db2.gz HDSXGXFYQQEYDT-FLFQWRMESA-N 0 0 448.903 3.973 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@@H]2c1ccc(Br)cc1 ZINC000100165905 557340224 /nfs/dbraw/zinc/34/02/24/557340224.db2.gz GFGPRNILPLHTFB-KSZLIROESA-N 0 0 446.732 3.638 50 0 IHAARN COC(=O)c1cc2c(c(Cl)c1)O[C@H](CNC(=O)c1c(C)onc1-c1ccccc1)C2 ZINC000023332084 557344228 /nfs/dbraw/zinc/34/42/28/557344228.db2.gz JKYNYJQZEHHHLD-INIZCTEOSA-N 0 0 426.856 3.824 50 0 IHAARN CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000024978156 557348425 /nfs/dbraw/zinc/34/84/25/557348425.db2.gz YRBKZSAZAMLCQQ-UHFFFAOYSA-N 0 0 440.344 3.528 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000013576265 557348665 /nfs/dbraw/zinc/34/86/65/557348665.db2.gz KTENBXQFCAFJKA-GVRVEPCYSA-N 0 0 442.540 3.738 50 0 IHAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1Cc1ccccc1 ZINC000023461259 557360894 /nfs/dbraw/zinc/36/08/94/557360894.db2.gz KNPBWWXIYBBJPC-UHFFFAOYSA-N 0 0 446.942 3.639 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220700589 557364818 /nfs/dbraw/zinc/36/48/18/557364818.db2.gz CSYWYWVMFTUYQS-OAHLLOKOSA-N 0 0 432.455 3.812 50 0 IHAARN COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3c2cnn3C)cs1 ZINC000011683340 557366547 /nfs/dbraw/zinc/36/65/47/557366547.db2.gz OYKVTABNNGZDKB-UHFFFAOYSA-N 0 0 426.527 3.805 50 0 IHAARN COc1ccc(OCCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000023648705 557370552 /nfs/dbraw/zinc/37/05/52/557370552.db2.gz DRNVREWMKWTLCT-UHFFFAOYSA-N 0 0 440.521 3.647 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102736658 557370752 /nfs/dbraw/zinc/37/07/52/557370752.db2.gz QODSFRKLSWYKOD-WXFUMESZSA-N 0 0 444.487 3.751 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccc(F)cc4)CC3)c2c1C ZINC000023956069 557388283 /nfs/dbraw/zinc/38/82/83/557388283.db2.gz PWFAZUAIHDKHRX-UHFFFAOYSA-N 0 0 441.576 3.606 50 0 IHAARN COc1ccc([C@H]2CC(c3cccc(Br)c3)=Nc3nnnn32)c(OC)c1OC ZINC000102794025 557388338 /nfs/dbraw/zinc/38/83/38/557388338.db2.gz IFYQOXUYFVGGAE-OAHLLOKOSA-N 0 0 444.289 3.517 50 0 IHAARN COC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)CC1 ZINC000011694423 557392453 /nfs/dbraw/zinc/39/24/53/557392453.db2.gz YOPRAAAZJIUGSI-UHFFFAOYSA-N 0 0 437.471 3.616 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCc3ccncc3)=CSC2=N1 ZINC000102849758 557395180 /nfs/dbraw/zinc/39/51/80/557395180.db2.gz MGQWPDLKGJGQFP-JOCHJYFZSA-N 0 0 448.548 3.926 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCc3cccnc3)=CSC2=N1 ZINC000102849750 557395256 /nfs/dbraw/zinc/39/52/56/557395256.db2.gz RIJPPWLEKCTVIA-JOCHJYFZSA-N 0 0 448.548 3.926 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000013955774 557397430 /nfs/dbraw/zinc/39/74/30/557397430.db2.gz YYWRSFSMGWPOAS-KRWDZBQOSA-N 0 0 437.569 3.757 50 0 IHAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C ZINC000013955936 557397792 /nfs/dbraw/zinc/39/77/92/557397792.db2.gz ZGUIZDWMAWATFO-INIZCTEOSA-N 0 0 437.569 3.528 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(-c2cccs2)n1CC)c1nc(C)cs1 ZINC000102898732 557411479 /nfs/dbraw/zinc/41/14/79/557411479.db2.gz HSFSCBRMPLOWTC-CQSZACIVSA-N 0 0 436.584 3.800 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3C[C@@H](C)Oc4ccc(C)cc43)C[C@H]2C)c1 ZINC000103706620 557440885 /nfs/dbraw/zinc/44/08/85/557440885.db2.gz BMQORBONTOFYDX-NHCUHLMSSA-N 0 0 435.568 3.935 50 0 IHAARN O=C(NCc1cccs1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000024535913 557440919 /nfs/dbraw/zinc/44/09/19/557440919.db2.gz SRJJZZIIJXJZBE-UHFFFAOYSA-N 0 0 447.626 3.843 50 0 IHAARN O=C(Nc1cccc(O)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016607204 557441806 /nfs/dbraw/zinc/44/18/06/557441806.db2.gz PZDTXRYDBFLBNK-UHFFFAOYSA-N 0 0 429.325 3.738 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](Cc3nc4cccnc4n3C(C)C)C2)cc1 ZINC000096124988 557450601 /nfs/dbraw/zinc/45/06/01/557450601.db2.gz ZOECJUYSYZGWKM-KRWDZBQOSA-N 0 0 428.558 3.664 50 0 IHAARN Cc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N[C@H](C)c3ccccc3)c2=O)c1 ZINC000096318115 557451679 /nfs/dbraw/zinc/45/16/79/557451679.db2.gz JOAJBNMIRNNDQJ-LJQANCHMSA-N 0 0 427.504 3.647 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000104817765 557462206 /nfs/dbraw/zinc/46/22/06/557462206.db2.gz VWCANZNBNULTDG-OFNKIYASSA-N 0 0 439.581 3.620 50 0 IHAARN O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@H]12)N1CCCC1 ZINC000104919672 557465494 /nfs/dbraw/zinc/46/54/94/557465494.db2.gz UAELACLMJWRKMK-UYAOXDASSA-N 0 0 430.474 3.590 50 0 IHAARN CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@@H](C)C(=O)OCC ZINC000009390938 557498779 /nfs/dbraw/zinc/49/87/79/557498779.db2.gz FNMMYTXDCLVOFZ-SCUMNGBJSA-N 0 0 448.633 3.955 50 0 IHAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000018381023 557500078 /nfs/dbraw/zinc/50/00/78/557500078.db2.gz TWNGPDRPPMQGEA-UHFFFAOYSA-N 0 0 443.544 3.940 50 0 IHAARN O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000046896378 557513036 /nfs/dbraw/zinc/51/30/36/557513036.db2.gz UGGBCGVFQRHIKT-KGLIPLIRSA-N 0 0 438.899 3.542 50 0 IHAARN CSc1nn(CC(=O)NCc2ccc(C)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914520 557513828 /nfs/dbraw/zinc/51/38/28/557513828.db2.gz WSMJKYDIVQUHOO-UHFFFAOYSA-N 0 0 448.552 3.837 50 0 IHAARN Cn1ncc(C2CC2)c1NC(=O)CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O ZINC000036621279 557517046 /nfs/dbraw/zinc/51/70/46/557517046.db2.gz VLNGPXGSJCXDAE-UHFFFAOYSA-N 0 0 444.486 3.890 50 0 IHAARN COc1cccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)c1 ZINC000047147710 557517960 /nfs/dbraw/zinc/51/79/60/557517960.db2.gz LKJQPKRGDSCKJG-UHFFFAOYSA-N 0 0 442.523 3.779 50 0 IHAARN CC(=O)Oc1ccccc1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000003363840 557526423 /nfs/dbraw/zinc/52/64/23/557526423.db2.gz LAPWKCGXDDTOGM-PDGQHHTCSA-N 0 0 444.896 3.732 50 0 IHAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2cccc(OC)c2)C1 ZINC000044803859 557537490 /nfs/dbraw/zinc/53/74/90/557537490.db2.gz WMZCJUKVYSRXJC-IBGZPJMESA-N 0 0 434.540 3.960 50 0 IHAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000044839531 557539059 /nfs/dbraw/zinc/53/90/59/557539059.db2.gz BQDHGRYYVLGCEK-UHFFFAOYSA-N 0 0 433.895 3.698 50 0 IHAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000044839588 557539117 /nfs/dbraw/zinc/53/91/17/557539117.db2.gz UWXLWVUYCYJZJH-UHFFFAOYSA-N 0 0 445.544 3.767 50 0 IHAARN COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000108091365 557540685 /nfs/dbraw/zinc/54/06/85/557540685.db2.gz NLGQBPSPAOZWAG-XXBNENTESA-N 0 0 449.532 3.791 50 0 IHAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1 ZINC000045896513 557546243 /nfs/dbraw/zinc/54/62/43/557546243.db2.gz YCEMXRNMGALFDF-UHFFFAOYSA-N 0 0 445.519 3.600 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)N(C)c4ccc(F)cc4)n3n2)cc1 ZINC000045939222 557548394 /nfs/dbraw/zinc/54/83/94/557548394.db2.gz YJYWZICANZGRGA-UHFFFAOYSA-N 0 0 437.500 3.541 50 0 IHAARN COc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc(OC)c1OC ZINC000045941273 557550827 /nfs/dbraw/zinc/55/08/27/557550827.db2.gz MGJVTTAIPUXEDX-UHFFFAOYSA-N 0 0 432.274 3.913 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCCCC1 ZINC000045960617 557554626 /nfs/dbraw/zinc/55/46/26/557554626.db2.gz LHYJZHIGLSFRPZ-UHFFFAOYSA-N 0 0 429.586 3.590 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)cc(C)c1)C(=O)CS2 ZINC000045960869 557554872 /nfs/dbraw/zinc/55/48/72/557554872.db2.gz WCOWKFSFZGPTDV-UHFFFAOYSA-N 0 0 425.554 3.863 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NC1CCCC1 ZINC000045971503 557555275 /nfs/dbraw/zinc/55/52/75/557555275.db2.gz NNLNGNJXKUBSDD-UHFFFAOYSA-N 0 0 426.933 3.848 50 0 IHAARN CC(C)CCNC(=O)CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 ZINC000045971515 557555524 /nfs/dbraw/zinc/55/55/24/557555524.db2.gz OKAWCVKVJTUKHF-UHFFFAOYSA-N 0 0 428.949 3.952 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)c1C ZINC000045973911 557555748 /nfs/dbraw/zinc/55/57/48/557555748.db2.gz NMSIGSIYPXGKKO-UHFFFAOYSA-N 0 0 439.556 3.675 50 0 IHAARN COc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1Cl ZINC000045970757 557558287 /nfs/dbraw/zinc/55/82/87/557558287.db2.gz VZAQTYNVKBEXCV-UHFFFAOYSA-N 0 0 447.948 3.617 50 0 IHAARN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)c([O-])c(Br)c2)N1 ZINC000038185889 557563447 /nfs/dbraw/zinc/56/34/47/557563447.db2.gz MZLQMEDFAHTZPY-CYBMUJFWSA-N 0 0 437.095 3.532 50 0 IHAARN NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000027629935 557569803 /nfs/dbraw/zinc/56/98/03/557569803.db2.gz NIOUZVAXKRGWOD-ZZXKWVIFSA-N 0 0 427.671 3.941 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2sccc2C)c(Br)c1 ZINC000040061750 557687777 /nfs/dbraw/zinc/68/77/77/557687777.db2.gz MCVFTAABVOEKCU-UHFFFAOYSA-N 0 0 432.361 3.816 50 0 IHAARN COc1cc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)ccc1OCC(=O)NC(C)C ZINC000225437988 557722798 /nfs/dbraw/zinc/72/27/98/557722798.db2.gz OFIQGXQGKHESSG-UHFFFAOYSA-N 0 0 433.936 3.566 50 0 IHAARN CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000225530260 557737403 /nfs/dbraw/zinc/73/74/03/557737403.db2.gz APESYZCYFIBXLO-CQSZACIVSA-N 0 0 440.974 3.693 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000040484566 557756254 /nfs/dbraw/zinc/75/62/54/557756254.db2.gz XOHGJXNTLDSCDA-OAQYLSRUSA-N 0 0 435.484 3.622 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Cl)c(N4CCNC4=O)c3)cc2)C[C@H](C)O1 ZINC000225741656 557771319 /nfs/dbraw/zinc/77/13/19/557771319.db2.gz PIIMMOHHFQTOPI-GASCZTMLSA-N 0 0 428.920 3.736 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000000843066 557802770 /nfs/dbraw/zinc/80/27/70/557802770.db2.gz UMQDXRISYRATBV-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000227233732 557813794 /nfs/dbraw/zinc/81/37/94/557813794.db2.gz NRXABIVYYLKARO-ZDQHKECQSA-N 0 0 449.938 3.696 50 0 IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000227233742 557813818 /nfs/dbraw/zinc/81/38/18/557813818.db2.gz NRXABIVYYLKARO-OZAHESQGSA-N 0 0 449.938 3.696 50 0 IHAARN COc1cc(OC)c([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000000855096 557831263 /nfs/dbraw/zinc/83/12/63/557831263.db2.gz MFWJJNYHYCJYFP-OAQYLSRUSA-N 0 0 427.478 3.707 50 0 IHAARN Cc1cc(I)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000000858125 557831591 /nfs/dbraw/zinc/83/15/91/557831591.db2.gz ZCGUGXGAEZZVHG-CQSZACIVSA-N 0 0 440.306 3.904 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229968996 557834481 /nfs/dbraw/zinc/83/44/81/557834481.db2.gz KRTFUMFAYMRUBY-BHDDXSALSA-N 0 0 446.459 3.816 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)ccc1Br ZINC000230515573 557835298 /nfs/dbraw/zinc/83/52/98/557835298.db2.gz WXSWRUMSWFPYBZ-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000239351912 557844349 /nfs/dbraw/zinc/84/43/49/557844349.db2.gz AAMMBBSCMOHWGA-KALAIVBUSA-N 0 0 429.561 3.728 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)COC[C@@H]1CCOC1)CC(C)(C)O2 ZINC000240744117 557845742 /nfs/dbraw/zinc/84/57/42/557845742.db2.gz HUQKFXGEFMZWGM-QAPCUYQASA-N 0 0 434.533 3.805 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245297656 557850002 /nfs/dbraw/zinc/85/00/02/557850002.db2.gz WBBRMPQIPUIEHF-YASKCIBGSA-N 0 0 448.556 3.809 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000884721 557854915 /nfs/dbraw/zinc/85/49/15/557854915.db2.gz GEYHFOJLPMQBCO-FUHWJXTLSA-N 0 0 432.450 3.858 50 0 IHAARN NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000000886548 557855562 /nfs/dbraw/zinc/85/55/62/557855562.db2.gz VNUOCSAKFJECMQ-UHFFFAOYSA-N 0 0 429.505 3.764 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1Cl ZINC000003622841 560189086 /nfs/dbraw/zinc/18/90/86/560189086.db2.gz IQQCKAZHPZJGRN-SFHVURJKSA-N 0 0 429.856 3.879 50 0 biogenic,in-vitro IHAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cc(Br)ccc1OC ZINC000000702594 562918992 /nfs/dbraw/zinc/91/89/92/562918992.db2.gz TUQWALMYSSJGNY-MRXNPFEDSA-N 0 0 439.331 3.671 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1 ZINC000000993809 562919958 /nfs/dbraw/zinc/91/99/58/562919958.db2.gz AYCJLSPBVOOWHU-UHFFFAOYSA-N 0 0 431.452 3.503 50 0 IHAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001076728 562920309 /nfs/dbraw/zinc/92/03/09/562920309.db2.gz LIZKXMHIBZECLW-CQSZACIVSA-N 0 0 428.945 3.841 50 0 IHAARN COc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001320926 562921216 /nfs/dbraw/zinc/92/12/16/562921216.db2.gz XWYMWHJROKEELE-UHFFFAOYSA-N 0 0 434.477 3.578 50 0 IHAARN CCOc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000001420906 562921769 /nfs/dbraw/zinc/92/17/69/562921769.db2.gz RWOYAUNBGJCPSJ-UHFFFAOYSA-N 0 0 427.432 3.854 50 0 IHAARN CC(C)(CNC(=O)c1ccc(Br)o1)CNC(=O)c1ccc(Br)o1 ZINC000002059517 562925675 /nfs/dbraw/zinc/92/56/75/562925675.db2.gz DZJBBPJHBNZTOY-UHFFFAOYSA-N 0 0 448.111 3.584 50 0 IHAARN COc1cc2c(cc1OC)-c1cc(Nc3ccccc3Br)nc(=O)n1CC2 ZINC000002109844 562925902 /nfs/dbraw/zinc/92/59/02/562925902.db2.gz MZXNYMUMENOMBL-UHFFFAOYSA-N 0 0 428.286 3.990 50 0 biogenic IHAARN CC[C@@H](C)N1CC(=O)N2[C@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002156785 562926091 /nfs/dbraw/zinc/92/60/91/562926091.db2.gz LCDZIVQXIKMJTE-DIUWLVJMSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002328884 562926997 /nfs/dbraw/zinc/92/69/97/562926997.db2.gz NSDKZJIDRCJDJY-HSZRJFAPSA-N 0 0 446.478 3.851 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1OCC ZINC000002649712 562929231 /nfs/dbraw/zinc/92/92/31/562929231.db2.gz APHLVKFOANNNDN-UHFFFAOYSA-N 0 0 433.936 3.955 50 0 IHAARN C[C@@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C ZINC000002663343 562929674 /nfs/dbraw/zinc/92/96/74/562929674.db2.gz PNRQMNQEHNTLFI-AWEZNQCLSA-N 0 0 430.965 3.728 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1=O ZINC000002663770 562929684 /nfs/dbraw/zinc/92/96/84/562929684.db2.gz QITZUOOHKHVCNX-GOSISDBHSA-N 0 0 435.524 3.550 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1=O ZINC000002663769 562929720 /nfs/dbraw/zinc/92/97/20/562929720.db2.gz QITZUOOHKHVCNX-SFHVURJKSA-N 0 0 435.524 3.550 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1 ZINC000002721044 562929914 /nfs/dbraw/zinc/92/99/14/562929914.db2.gz FMOUEYCXYJOECX-UHFFFAOYSA-N 0 0 431.583 3.721 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000002927928 562930615 /nfs/dbraw/zinc/93/06/15/562930615.db2.gz QQKLKGNIZOVBHM-GHTZIAJQSA-N 0 0 442.606 3.775 50 0 IHAARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)C)cc1 ZINC000002976762 562931407 /nfs/dbraw/zinc/93/14/07/562931407.db2.gz UDHFFVHMEFQFRJ-FQEVSTJZSA-N 0 0 427.497 3.651 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1OC ZINC000003049044 562932229 /nfs/dbraw/zinc/93/22/29/562932229.db2.gz PCGPQUQQSJRTTG-XMMPIXPASA-N 0 0 430.504 3.760 50 0 biogenic IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000003056933 562932288 /nfs/dbraw/zinc/93/22/88/562932288.db2.gz QTUNXFGFNOJPGE-UHFFFAOYSA-N 0 0 447.896 3.707 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003186409 562932675 /nfs/dbraw/zinc/93/26/75/562932675.db2.gz KTEFAYCEBCKRTL-IBGZPJMESA-N 0 0 427.551 3.992 50 0 aggregator IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1C ZINC000003300180 562933931 /nfs/dbraw/zinc/93/39/31/562933931.db2.gz YSMCQKLGUHZKHZ-RUZDIDTESA-N 0 0 447.491 3.611 50 0 IHAARN Cc1ccc(N(CCC(=O)Nc2nnc(C3CC3)s2)S(=O)(=O)c2ccccc2)cc1 ZINC000003357301 562934772 /nfs/dbraw/zinc/93/47/72/562934772.db2.gz DZBAWCDRXVJVJA-UHFFFAOYSA-N 0 0 442.566 3.948 50 0 IHAARN CC(C)OCCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O ZINC000003371598 562934958 /nfs/dbraw/zinc/93/49/58/562934958.db2.gz GCIATVOSFHBLHE-UHFFFAOYSA-N 0 0 437.565 3.893 50 0 IHAARN CCn1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccc(C)nc21 ZINC000003369390 562934987 /nfs/dbraw/zinc/93/49/87/562934987.db2.gz LLKAVXSVEUWBQJ-UHFFFAOYSA-N 0 0 434.279 3.827 50 0 IHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)nnc1-c1ccco1 ZINC000003389054 562935145 /nfs/dbraw/zinc/93/51/45/562935145.db2.gz IISSNOKSMQMKTK-NSHDSACASA-N 0 0 445.570 3.574 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 ZINC000003444952 562935985 /nfs/dbraw/zinc/93/59/85/562935985.db2.gz OOYGBTGZDCPTKO-UHFFFAOYSA-N 0 0 434.901 3.697 50 0 IHAARN CCSc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCC(F)(F)C(F)F)s1 ZINC000004077874 562941529 /nfs/dbraw/zinc/94/15/29/562941529.db2.gz XVACGDDLEMVDMO-BDAKNGLRSA-N 0 0 429.461 3.839 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000004090543 562941662 /nfs/dbraw/zinc/94/16/62/562941662.db2.gz GWIGPCOQOMVZJF-MVGZEHJDSA-N 0 0 427.497 3.889 50 0 biogenic IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)C1 ZINC000004195793 562942618 /nfs/dbraw/zinc/94/26/18/562942618.db2.gz PQDLRMDJYZIBPF-OAHLLOKOSA-N 0 0 446.429 3.830 50 0 IHAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000004295384 562943032 /nfs/dbraw/zinc/94/30/32/562943032.db2.gz LJUIHPXVUYBPKS-JSXRDJHFSA-N 0 0 425.492 3.880 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000006153394 562946291 /nfs/dbraw/zinc/94/62/91/562946291.db2.gz VBTBIOUHEYUSJG-UHFFFAOYSA-N 0 0 440.912 3.716 50 0 aggregator IHAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000006577850 562947877 /nfs/dbraw/zinc/94/78/77/562947877.db2.gz FFQIPGOEJJARCC-GOSISDBHSA-N 0 0 439.537 3.673 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1Cl ZINC000008588015 562950541 /nfs/dbraw/zinc/95/05/41/562950541.db2.gz NSNXYPIUWPCZSR-JOCHJYFZSA-N 0 0 434.927 3.902 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000008589249 562951125 /nfs/dbraw/zinc/95/11/25/562951125.db2.gz ATEXHWKUWIGGKM-UHFFFAOYSA-N 0 0 443.459 3.752 50 0 IHAARN C[C@H]1Cc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2N1C(=O)C1CCC1 ZINC000008590933 562951964 /nfs/dbraw/zinc/95/19/64/562951964.db2.gz WCMIDJJZZSORDI-HNNXBMFYSA-N 0 0 432.973 3.939 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)c1 ZINC000008591701 562952092 /nfs/dbraw/zinc/95/20/92/562952092.db2.gz OTLAEHMZUDPVSB-UHFFFAOYSA-N 0 0 440.496 3.944 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000008593552 562952748 /nfs/dbraw/zinc/95/27/48/562952748.db2.gz CWZZEVUFJNDCNL-CYBMUJFWSA-N 0 0 445.972 3.661 50 0 IHAARN COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)cc1 ZINC000008596738 562953833 /nfs/dbraw/zinc/95/38/33/562953833.db2.gz MFVQLQCRSGXVSA-UHFFFAOYSA-N 0 0 444.528 3.899 50 0 IHAARN CCN1c2cc(C(=O)NCc3ccccc3OC)ccc2[S@@](=O)c2ccccc2C1=O ZINC000008597296 562953975 /nfs/dbraw/zinc/95/39/75/562953975.db2.gz JBQOQPITCJDIJI-WJOKGBTCSA-N 0 0 434.517 3.772 50 0 IHAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000008598933 562954515 /nfs/dbraw/zinc/95/45/15/562954515.db2.gz FGCBXLQFWBUMES-UHFFFAOYSA-N 0 0 445.566 3.978 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000008600900 562955160 /nfs/dbraw/zinc/95/51/60/562955160.db2.gz GJQMWIOLQFPOKW-SFHVURJKSA-N 0 0 430.551 3.593 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000008600899 562955187 /nfs/dbraw/zinc/95/51/87/562955187.db2.gz GJQMWIOLQFPOKW-GOSISDBHSA-N 0 0 430.551 3.593 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 ZINC000008601759 562955611 /nfs/dbraw/zinc/95/56/11/562955611.db2.gz GSFKRVAZWMMUJW-UHFFFAOYSA-N 0 0 440.956 3.868 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1Cl ZINC000008601810 562955682 /nfs/dbraw/zinc/95/56/82/562955682.db2.gz WVPDOZPMBXVIQS-UHFFFAOYSA-N 0 0 440.956 3.868 50 0 IHAARN COc1ccc(-c2cc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n[nH]2)c(OC)c1 ZINC000008603007 562955875 /nfs/dbraw/zinc/95/58/75/562955875.db2.gz NNGVKZQIPMHMAY-UHFFFAOYSA-N 0 0 438.440 3.837 50 0 IHAARN COc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c2)c1 ZINC000008606992 562957214 /nfs/dbraw/zinc/95/72/14/562957214.db2.gz GTBFVFDWMHCHGU-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN COc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008611964 562958850 /nfs/dbraw/zinc/95/88/50/562958850.db2.gz WIPGGSURQKAKCU-IBGZPJMESA-N 0 0 427.522 3.508 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 ZINC000008691576 562963477 /nfs/dbraw/zinc/96/34/77/562963477.db2.gz XFFICXYXRPWXGZ-NMIHRBCNSA-N 0 0 428.419 3.691 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccccc1F ZINC000008694062 562963750 /nfs/dbraw/zinc/96/37/50/562963750.db2.gz ARXRALBCOGNJTH-UHFFFAOYSA-N 0 0 446.422 3.804 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)c1 ZINC000008824637 562964440 /nfs/dbraw/zinc/96/44/40/562964440.db2.gz BROFFDIVXYBIDV-AWEZNQCLSA-N 0 0 425.539 3.525 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1 ZINC000008824641 562964473 /nfs/dbraw/zinc/96/44/73/562964473.db2.gz JYJTXGHWLJXEBU-HNNXBMFYSA-N 0 0 425.539 3.525 50 0 IHAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000008829896 562964699 /nfs/dbraw/zinc/96/46/99/562964699.db2.gz UAYOGADZICSAMA-UHFFFAOYSA-N 0 0 449.532 3.701 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000008901440 562965821 /nfs/dbraw/zinc/96/58/21/562965821.db2.gz PJAYTMNTVQIEIO-HKUYNNGSSA-N 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O=C(CSc1nc2c3ccccc3oc2c(=O)n1C[C@H]1CCCO1)NCc1ccccc1 ZINC000009750990 562976599 /nfs/dbraw/zinc/97/65/99/562976599.db2.gz RWPHRNCKOQWGTH-QGZVFWFLSA-N 0 0 449.532 3.730 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 ZINC000009822238 562977280 /nfs/dbraw/zinc/97/72/80/562977280.db2.gz JNZKXSARRWFMJS-UHFFFAOYSA-N 0 0 440.931 3.921 50 0 IHAARN O=C(NCCc1ccccn1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012122042 562980776 /nfs/dbraw/zinc/98/07/76/562980776.db2.gz LHLZTTYDWJYNEA-UHFFFAOYSA-N 0 0 436.519 3.673 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)cc1OCC ZINC000012851514 562983214 /nfs/dbraw/zinc/98/32/14/562983214.db2.gz HWNSJSNISLQGHU-IBGZPJMESA-N 0 0 440.540 3.595 50 0 IHAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000012949656 562983614 /nfs/dbraw/zinc/98/36/14/562983614.db2.gz GSEZFYXNOYYMHZ-IBGZPJMESA-N 0 0 436.537 3.751 50 0 IHAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCCSc1ccccc1 ZINC000012982223 562983723 /nfs/dbraw/zinc/98/37/23/562983723.db2.gz NCFXAMQSYIPRDN-IBGZPJMESA-N 0 0 432.611 3.845 50 0 IHAARN O=C(CSc1ccc(Br)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000013013927 562984183 /nfs/dbraw/zinc/98/41/83/562984183.db2.gz SBDSNEMKGRXYBB-MRXNPFEDSA-N 0 0 441.416 3.792 50 0 IHAARN COc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2ccc(OC)cc2)cc1 ZINC000013389011 562985855 /nfs/dbraw/zinc/98/58/55/562985855.db2.gz MEIHFWBAEBWTRG-SZPZYZBQSA-N 0 0 444.578 3.552 50 0 IHAARN CC[C@@H](C(=O)NCCc1ccc(C)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943064 563019884 /nfs/dbraw/zinc/01/98/84/563019884.db2.gz KQOUUHUOTAGOKA-QFIPXVFZSA-N 0 0 443.551 3.817 50 0 IHAARN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000019332615 563022563 /nfs/dbraw/zinc/02/25/63/563022563.db2.gz SONAJNQDRUOQHK-QFIPXVFZSA-N 0 0 437.979 3.744 50 0 IHAARN O=C(CN1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1)Nc1ccc(F)cc1 ZINC000095357448 563180631 /nfs/dbraw/zinc/18/06/31/563180631.db2.gz CFPKWZOSKLLQDP-UHFFFAOYSA-N 0 0 446.526 3.688 50 0 IHAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000019939407 568613344 /nfs/dbraw/zinc/61/33/44/568613344.db2.gz GCUGUQVPJFBZEN-QFIPXVFZSA-N 0 0 445.441 3.915 50 0 IHAARN O[C@@H](COCc1ccco1)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985187 568623500 /nfs/dbraw/zinc/62/35/00/568623500.db2.gz DWKUTFMTUVEFPC-FYYLOGMGSA-N 0 0 438.499 3.992 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 ZINC000018410912 568624636 /nfs/dbraw/zinc/62/46/36/568624636.db2.gz HXGCFWPGADJFRW-DMZKTXOQSA-N 0 0 425.872 3.731 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 ZINC000025065892 568626995 /nfs/dbraw/zinc/62/69/95/568626995.db2.gz JZPVGYXGLRMRED-NDDJGDGRSA-N 0 0 433.961 3.567 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)cc(OC)c1OC ZINC000000929530 568637767 /nfs/dbraw/zinc/63/77/67/568637767.db2.gz FCJMPPAXXAMHJK-ZDUSSCGKSA-N 0 0 441.509 3.832 50 0 IHAARN CC(=O)c1sc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)nc1C 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COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)ccc1Cl ZINC000001008667 568650782 /nfs/dbraw/zinc/65/07/82/568650782.db2.gz FETFZAINHOSKLC-NVNXTCNLSA-N 0 0 434.857 3.703 50 0 IHAARN CCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000001002829 568651030 /nfs/dbraw/zinc/65/10/30/568651030.db2.gz KNFCYVNFKBKBGN-UHFFFAOYSA-N 0 0 434.905 3.618 50 0 IHAARN O=C1N[C@H](c2ccc(Br)cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001009632 568651303 /nfs/dbraw/zinc/65/13/03/568651303.db2.gz DNRBHMCGLHWPTR-CPUCHLNUSA-N 0 0 443.219 3.553 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccncc1 ZINC000025379667 568655233 /nfs/dbraw/zinc/65/52/33/568655233.db2.gz SNOHCDRJPFZKMO-OAHLLOKOSA-N 0 0 429.929 3.705 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nc(-c2cccs2)no1)CC3 ZINC000025453880 568658955 /nfs/dbraw/zinc/65/89/55/568658955.db2.gz FUGITMVELYRMIW-UHFFFAOYSA-N 0 0 436.493 3.584 50 0 IHAARN CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@]3(O)C(=O)C[C@@]12C ZINC000257348147 568731094 /nfs/dbraw/zinc/73/10/94/568731094.db2.gz BTCDWECIWQGRNF-YMLGFLIUSA-N 0 0 434.573 3.823 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC(C)(C)OC4)c1 ZINC000001829854 568741752 /nfs/dbraw/zinc/74/17/52/568741752.db2.gz DJRHBTFRAUSLAA-UHFFFAOYSA-N 0 0 430.555 3.864 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1)NCc1ccco1 ZINC000003248865 568743642 /nfs/dbraw/zinc/74/36/42/568743642.db2.gz IBRSCWYFWIODHO-UHFFFAOYSA-N 0 0 430.819 3.798 50 0 IHAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1Cl ZINC000003252418 568744013 /nfs/dbraw/zinc/74/40/13/568744013.db2.gz KPQBPMCDGOYJJY-UHFFFAOYSA-N 0 0 426.271 3.998 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(C)=O ZINC000003325545 568746006 /nfs/dbraw/zinc/74/60/06/568746006.db2.gz LYFUCGZGCGYKBM-QKKBWIMNSA-N 0 0 444.915 3.869 50 0 IHAARN Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Br)ccc1Cl ZINC000003349470 568746668 /nfs/dbraw/zinc/74/66/68/568746668.db2.gz DJMCSEWHNNUJDZ-UHFFFAOYSA-N 0 0 425.710 3.887 50 0 IHAARN Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000044170280 568749403 /nfs/dbraw/zinc/74/94/03/568749403.db2.gz FOPBTRUIPQADMZ-UHFFFAOYSA-N 0 0 431.540 3.746 50 0 IHAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000003448281 568749700 /nfs/dbraw/zinc/74/97/00/568749700.db2.gz XRWOURALDJSPAV-UHFFFAOYSA-N 0 0 435.929 3.863 50 0 IHAARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc(OC)c1 ZINC000003493915 568750187 /nfs/dbraw/zinc/75/01/87/568750187.db2.gz ZNGJVFRAQUHDLE-UHFFFAOYSA-N 0 0 427.526 3.801 50 0 IHAARN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(F)(F)F)c1)c2=O)N1CCOCC1 ZINC000003630263 568752128 /nfs/dbraw/zinc/75/21/28/568752128.db2.gz VHFYTFOPZPGKCQ-UHFFFAOYSA-N 0 0 435.427 3.539 50 0 IHAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)N2)CCCCC1 ZINC000003771327 568754610 /nfs/dbraw/zinc/75/46/10/568754610.db2.gz FAPJVTURQFBWLU-FQEVSTJZSA-N 0 0 437.540 3.845 50 0 IHAARN O=C(c1cccc(N2CCCC2=O)c1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000299756279 568755288 /nfs/dbraw/zinc/75/52/88/568755288.db2.gz FVICMYLSROCPHE-OFNKIYASSA-N 0 0 449.526 3.606 50 0 IHAARN O=C(NC1CCCCC1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 ZINC000299757927 568755561 /nfs/dbraw/zinc/75/55/61/568755561.db2.gz LKDCGPAAFMTIRE-IBGZPJMESA-N 0 0 446.551 3.543 50 0 IHAARN CCc1nc2cc(N)cc(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)c2n1CCCOC ZINC000299761731 568755979 /nfs/dbraw/zinc/75/59/79/568755979.db2.gz ZJWBAASSEGWOBS-IBGZPJMESA-N 0 0 435.450 3.646 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(C[C@@H]2C(=O)NCCn2ccnc2)CC1 ZINC000299763833 568756175 /nfs/dbraw/zinc/75/61/75/568756175.db2.gz FDVBBXOGTITYGQ-XMMPIXPASA-N 0 0 442.563 3.538 50 0 IHAARN Cc1c(C(=O)N(C)C[C@@H](O)c2ccccc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000299765766 568756258 /nfs/dbraw/zinc/75/62/58/568756258.db2.gz AGEQNXSWPACOOE-HSZRJFAPSA-N 0 0 439.519 3.542 50 0 IHAARN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 ZINC000299795570 568757917 /nfs/dbraw/zinc/75/79/17/568757917.db2.gz MIVQLFQVNZRSHJ-VWNXMTODSA-N 0 0 428.536 3.568 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2Cl)cc1 ZINC000015391223 568761541 /nfs/dbraw/zinc/76/15/41/568761541.db2.gz JHTYDYNQLTWJHQ-KRWDZBQOSA-N 0 0 436.961 3.598 50 0 IHAARN Cc1ccc(C)c(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2cc(C)ccc2C)c1 ZINC000001235640 568762312 /nfs/dbraw/zinc/76/23/12/568762312.db2.gz PGGAEOKPYOLUMY-PMACEKPBSA-N 0 0 442.581 3.938 50 0 IHAARN Cc1cc2sc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc2c(C)c1 ZINC000012651060 568774336 /nfs/dbraw/zinc/77/43/36/568774336.db2.gz MARFNPZPDDAXKH-MRXNPFEDSA-N 0 0 429.567 3.953 50 0 IHAARN Cc1ccc(Cn2c(Sc3nc4ccccc4s3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000001271264 568775662 /nfs/dbraw/zinc/77/56/62/568775662.db2.gz AGBCGWZNIDJFPL-UHFFFAOYSA-N 0 0 435.534 3.541 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4Br)c3CO2)cc1 ZINC000263615212 568775924 /nfs/dbraw/zinc/77/59/24/568775924.db2.gz BEPBPUAAHXENHZ-QGZVFWFLSA-N 0 0 447.264 3.712 50 0 IHAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC)cc5OC)no4)cc3CO2)cc1 ZINC000263618668 568777595 /nfs/dbraw/zinc/77/75/95/568777595.db2.gz UXBDNVJBFJFQGX-OAQYLSRUSA-N 0 0 434.452 3.897 50 0 IHAARN COc1ccc([C@H](C)NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000263619484 568778218 /nfs/dbraw/zinc/77/82/18/568778218.db2.gz YWPLYQZTUOAIMQ-KRWDZBQOSA-N 0 0 433.556 3.711 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000083937319 568786139 /nfs/dbraw/zinc/78/61/39/568786139.db2.gz QXEWJCLPMBYXBH-OAHLLOKOSA-N 0 0 432.904 3.857 50 0 IHAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)c(C)n1C ZINC000046046594 568786962 /nfs/dbraw/zinc/78/69/62/568786962.db2.gz WMNGOUHQJAXWEH-GOSISDBHSA-N 0 0 425.573 3.797 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1(N2C(=O)C[C@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000001412073 568789714 /nfs/dbraw/zinc/78/97/14/568789714.db2.gz YXMNAIWBHCCPPM-KRWDZBQOSA-N 0 0 436.464 3.759 50 0 IHAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000084028716 568790104 /nfs/dbraw/zinc/79/01/04/568790104.db2.gz HKOCPDMHMMZHEY-UHFFFAOYSA-N 0 0 426.826 3.948 50 0 IHAARN Cc1cc(NC(=O)Cn2ccc(=O)c3ccccc32)n(-c2cccc(Br)c2)n1 ZINC000084105195 568792740 /nfs/dbraw/zinc/79/27/40/568792740.db2.gz XHSLVADYEPFSKV-UHFFFAOYSA-N 0 0 437.297 3.897 50 0 IHAARN CCOC(=O)C1=C(CSc2nc3cccnc3[nH]2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422897 568793359 /nfs/dbraw/zinc/79/33/59/568793359.db2.gz SBMGOFPXMGWFBO-GOSISDBHSA-N 0 0 437.525 3.538 50 0 IHAARN COc1ccc(C(=O)Oc2cccc3cccnc32)cc1S(=O)(=O)NC1CCCC1 ZINC000015568885 568798617 /nfs/dbraw/zinc/79/86/17/568798617.db2.gz HCFJWWGRYGYCKH-UHFFFAOYSA-N 0 0 426.494 3.684 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015606483 568799401 /nfs/dbraw/zinc/79/94/01/568799401.db2.gz JLJMONFVHMYXHY-UHFFFAOYSA-N 0 0 430.507 3.612 50 0 IHAARN C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000084678307 568799722 /nfs/dbraw/zinc/79/97/22/568799722.db2.gz UGVTWHMTDWFFFF-BDJLRTHQSA-N 0 0 449.364 3.935 50 0 IHAARN Cc1nc(-n2nc(C)c(Cc3ccccc3Cl)c2C)sc1C(=O)N1CCN(C)CC1 ZINC000015669180 568802008 /nfs/dbraw/zinc/80/20/08/568802008.db2.gz HBDMYAFIGLZSOU-UHFFFAOYSA-N 0 0 444.004 3.886 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3F)n2)c1 ZINC000015670526 568802509 /nfs/dbraw/zinc/80/25/09/568802509.db2.gz WFQXXTPKFWYDKR-QGZVFWFLSA-N 0 0 430.443 3.655 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@H]1CCCO1 ZINC000015678093 568804623 /nfs/dbraw/zinc/80/46/23/568804623.db2.gz DBAFPVLXKPGLLO-KBMIEXCESA-N 0 0 438.572 3.659 50 0 IHAARN COc1cccc(CNC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)c1 ZINC000015677924 568804962 /nfs/dbraw/zinc/80/49/62/568804962.db2.gz ZEVLDRUQWJCTOW-HSZRJFAPSA-N 0 0 431.492 3.654 50 0 IHAARN Cc1ccc2c(c1)N(CCC(=O)N1CCN(c3ccccc3)CC1)C(=O)c1cccnc1O2 ZINC000015680021 568805902 /nfs/dbraw/zinc/80/59/02/568805902.db2.gz UHICPHNNYDHYNU-UHFFFAOYSA-N 0 0 442.519 3.881 50 0 IHAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)NCc1ccco1)CCCC3 ZINC000015680371 568806141 /nfs/dbraw/zinc/80/61/41/568806141.db2.gz RZSVTNHDMHTDHA-UHFFFAOYSA-N 0 0 443.525 3.626 50 0 IHAARN COc1ccc(NC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC ZINC000015681047 568806492 /nfs/dbraw/zinc/80/64/92/568806492.db2.gz QWRRUGHBNYONQN-UHFFFAOYSA-N 0 0 445.497 3.643 50 0 IHAARN COc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1OC ZINC000015681817 568806922 /nfs/dbraw/zinc/80/69/22/568806922.db2.gz VUZVDBLKOLAGLQ-UHFFFAOYSA-N 0 0 435.524 3.603 50 0 IHAARN Cc1oc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682118 568806944 /nfs/dbraw/zinc/80/69/44/568806944.db2.gz GXUMIHRQRHEOII-UHFFFAOYSA-N 0 0 449.551 3.990 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000032482594 568807521 /nfs/dbraw/zinc/80/75/21/568807521.db2.gz NXAZQUIIIRIBMN-OAHLLOKOSA-N 0 0 443.357 3.507 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc(F)cc1 ZINC000015722537 568812127 /nfs/dbraw/zinc/81/21/27/568812127.db2.gz LMJPUCYSZYAYCK-UHFFFAOYSA-N 0 0 443.544 3.662 50 0 IHAARN CCN(CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2)c1ccccc1 ZINC000015731141 568814520 /nfs/dbraw/zinc/81/45/20/568814520.db2.gz WPKXBHZOQDMSGZ-INIZCTEOSA-N 0 0 433.599 3.562 50 0 IHAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000015734769 568816542 /nfs/dbraw/zinc/81/65/42/568816542.db2.gz RFFOIKOSYGGVLQ-UHFFFAOYSA-N 0 0 433.581 3.770 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cccc(OC)c1OCc1ccccc1F ZINC000085413598 568818876 /nfs/dbraw/zinc/81/88/76/568818876.db2.gz GXQQVEWWWFSXQW-DENIHFKCSA-N 0 0 440.423 3.741 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000001463575 568819878 /nfs/dbraw/zinc/81/98/78/568819878.db2.gz HQLZRCFNUOCUHX-KRWDZBQOSA-N 0 0 445.541 3.521 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001467278 568820369 /nfs/dbraw/zinc/82/03/69/568820369.db2.gz ZISUADLJNWXASH-NRFANRHFSA-N 0 0 426.538 3.972 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2=O)s1 ZINC000015771492 568822483 /nfs/dbraw/zinc/82/24/83/568822483.db2.gz GLCXLZAIXQDKKO-UHFFFAOYSA-N 0 0 428.514 3.616 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2=O)s1 ZINC000015771884 568822643 /nfs/dbraw/zinc/82/26/43/568822643.db2.gz QLOABPYFCOKZKQ-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN COc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780733 568825181 /nfs/dbraw/zinc/82/51/81/568825181.db2.gz HMWUGSATOPSXLM-NRFANRHFSA-N 0 0 445.562 3.639 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(C)cc2)c2cccs2)cc1 ZINC000015780943 568825203 /nfs/dbraw/zinc/82/52/03/568825203.db2.gz SDQMMLCGHNBEFF-NRFANRHFSA-N 0 0 445.562 3.775 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)c1 ZINC000085568857 568825350 /nfs/dbraw/zinc/82/53/50/568825350.db2.gz HMMVJDINZTXBPF-UHFFFAOYSA-N 0 0 444.940 3.810 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000015781403 568825768 /nfs/dbraw/zinc/82/57/68/568825768.db2.gz HUNDIKTXZNRLRT-UHFFFAOYSA-N 0 0 448.610 3.859 50 0 IHAARN COc1ccc(CC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781234 568825791 /nfs/dbraw/zinc/82/57/91/568825791.db2.gz NCPONRRRWRBLGT-NRFANRHFSA-N 0 0 431.485 3.610 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)ccc21 ZINC000015784351 568827472 /nfs/dbraw/zinc/82/74/72/568827472.db2.gz IMGGZLTVSVKKQL-GOSISDBHSA-N 0 0 445.972 3.549 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1Br ZINC000001513477 568839350 /nfs/dbraw/zinc/83/93/50/568839350.db2.gz FGIJWMPUUUCFDO-SFHVURJKSA-N 0 0 431.286 3.829 50 0 IHAARN COc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1 ZINC000015823956 568840271 /nfs/dbraw/zinc/84/02/71/568840271.db2.gz YWDMJVILLJZLRM-UHFFFAOYSA-N 0 0 432.527 3.569 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000001518100 568840811 /nfs/dbraw/zinc/84/08/11/568840811.db2.gz ZYPBZHWDWSTNIQ-UHFFFAOYSA-N 0 0 443.550 3.856 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2COc3ccc(OC)cc32)nnc1[C@@H](C)c1ccccc1 ZINC000045068214 568843169 /nfs/dbraw/zinc/84/31/69/568843169.db2.gz HGPVBPJQZNUMAN-HNAYVOBHSA-N 0 0 438.553 3.800 50 0 IHAARN Cc1cccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)c1 ZINC000006142361 568845482 /nfs/dbraw/zinc/84/54/82/568845482.db2.gz KGRXKQPYJIBNJG-GOTSBHOMSA-N 0 0 449.528 3.664 50 0 IHAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006144143 568846087 /nfs/dbraw/zinc/84/60/87/568846087.db2.gz DKQPZRVOXYNSCO-UHFFFAOYSA-N 0 0 447.944 3.909 50 0 IHAARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000015862840 568849014 /nfs/dbraw/zinc/84/90/14/568849014.db2.gz QMGWFQBNUBDMRT-UHFFFAOYSA-N 0 0 442.475 3.683 50 0 IHAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ccc21 ZINC000015863241 568849089 /nfs/dbraw/zinc/84/90/89/568849089.db2.gz ZTRNDSWFBFBIDX-UHFFFAOYSA-N 0 0 425.920 3.904 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)ccc21 ZINC000015864970 568849955 /nfs/dbraw/zinc/84/99/55/568849955.db2.gz JJIBIEDXADUKTK-UHFFFAOYSA-N 0 0 440.569 3.816 50 0 IHAARN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1 ZINC000015865790 568850591 /nfs/dbraw/zinc/85/05/91/568850591.db2.gz JJQCXXOVDMKBLO-GOSISDBHSA-N 0 0 432.592 3.998 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c(OC)c1OC ZINC000015867937 568851303 /nfs/dbraw/zinc/85/13/03/568851303.db2.gz ZJORKZIPJJCADY-CYBMUJFWSA-N 0 0 436.493 3.982 50 0 IHAARN Cc1ccc(-c2nc3ccc(C(=O)N4CCC(CC(=O)N5CCOCC5)CC4)cc3o2)cc1 ZINC000015869865 568851507 /nfs/dbraw/zinc/85/15/07/568851507.db2.gz ZVZXTOHNFABROP-UHFFFAOYSA-N 0 0 447.535 3.904 50 0 IHAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000015882594 568857139 /nfs/dbraw/zinc/85/71/39/568857139.db2.gz OLJPIJJQTKGIOK-QFIPXVFZSA-N 0 0 434.927 3.589 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000015972128 568861437 /nfs/dbraw/zinc/86/14/37/568861437.db2.gz FSXFFARJUOASMZ-KFCXZAFISA-N 0 0 425.916 3.927 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000015972109 568861455 /nfs/dbraw/zinc/86/14/55/568861455.db2.gz FDSIIYLSNZHBJC-AXBCGAQBSA-N 0 0 441.915 3.628 50 0 IHAARN COc1ccc2nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc(C)c2c1 ZINC000015987756 568862043 /nfs/dbraw/zinc/86/20/43/568862043.db2.gz XWSYQZVZZMFGFW-UHFFFAOYSA-N 0 0 445.508 3.942 50 0 IHAARN O=C(N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2ccccc2)CCOCC1 ZINC000575414664 568862468 /nfs/dbraw/zinc/86/24/68/568862468.db2.gz IANMBOWHIYJXSW-OAQYLSRUSA-N 0 0 447.984 3.777 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414935 568862474 /nfs/dbraw/zinc/86/24/74/568862474.db2.gz RHMOXJMKSBTHEH-HXUWFJFHSA-N 0 0 430.913 3.997 50 0 IHAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCCc3cccs3)C2=O)cc1C ZINC000026176712 568867065 /nfs/dbraw/zinc/86/70/65/568867065.db2.gz KLHPAWSGAMXXSC-VWLOTQADSA-N 0 0 447.560 3.519 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NCCc3cccs3)C2=O)cc1C ZINC000026176706 568867090 /nfs/dbraw/zinc/86/70/90/568867090.db2.gz KLHPAWSGAMXXSC-RUZDIDTESA-N 0 0 447.560 3.519 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1C ZINC000012937894 568867467 /nfs/dbraw/zinc/86/74/67/568867467.db2.gz ULCYIEXRMKUQKS-GOSISDBHSA-N 0 0 431.945 3.857 50 0 IHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000016050366 568869417 /nfs/dbraw/zinc/86/94/17/568869417.db2.gz XDWHYUQBYAYMJH-KRWDZBQOSA-N 0 0 444.553 3.805 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575611670 568879155 /nfs/dbraw/zinc/87/91/55/568879155.db2.gz FQPVDYYOIVTGEC-HNNXBMFYSA-N 0 0 444.251 3.870 50 0 IHAARN O=C(Cc1ccccc1Br)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575615831 568881289 /nfs/dbraw/zinc/88/12/89/568881289.db2.gz GNSYWIGMOKHISC-INIZCTEOSA-N 0 0 426.314 3.565 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000229830017 568887000 /nfs/dbraw/zinc/88/70/00/568887000.db2.gz AVESBMGNTNCJLZ-GHMZBOCLSA-N 0 0 428.345 3.523 50 0 IHAARN Cc1nc(-c2cccs2)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000090592765 568888742 /nfs/dbraw/zinc/88/87/42/568888742.db2.gz QIEZYWHZQCQDMD-UHFFFAOYSA-N 0 0 440.525 3.859 50 0 IHAARN COc1cc(/C=C/C(=O)N2CC(Oc3nc4ccccc4s3)C2)cc(OC)c1OC ZINC000090594016 568889076 /nfs/dbraw/zinc/88/90/76/568889076.db2.gz MDIJRZJKMWRJGU-CMDGGOBGSA-N 0 0 426.494 3.625 50 0 IHAARN Cc1nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(Nc2ccccn2)n1 ZINC000090607918 568890835 /nfs/dbraw/zinc/89/08/35/568890835.db2.gz IGCMGSPWWYBQQN-UHFFFAOYSA-N 0 0 440.935 3.963 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1 ZINC000090609114 568891316 /nfs/dbraw/zinc/89/13/16/568891316.db2.gz ISLJMLGUOLGYGM-MRXNPFEDSA-N 0 0 435.977 3.583 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1Cl ZINC000090610035 568891575 /nfs/dbraw/zinc/89/15/75/568891575.db2.gz KSOVYNNXAAIKDA-UHFFFAOYSA-N 0 0 444.900 3.534 50 0 IHAARN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1ccc(OCc3ccccc3)cc1)CS2 ZINC000090609855 568891633 /nfs/dbraw/zinc/89/16/33/568891633.db2.gz XRUSYTSMXPRUCV-FQEVSTJZSA-N 0 0 449.576 3.731 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000014095624 568893020 /nfs/dbraw/zinc/89/30/20/568893020.db2.gz VLRZRLOMXFEDFJ-KPKJPENVSA-N 0 0 442.537 3.674 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cccc(C)c1 ZINC000006338605 568893113 /nfs/dbraw/zinc/89/31/13/568893113.db2.gz DGBMXVOKBVSNEA-UHFFFAOYSA-N 0 0 432.571 3.523 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000014255553 568893177 /nfs/dbraw/zinc/89/31/77/568893177.db2.gz DFSGNGXIIXKUGB-UETJRYKRSA-N 0 0 426.582 3.837 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012981986 568894519 /nfs/dbraw/zinc/89/45/19/568894519.db2.gz VEZMPDWVTHHJIJ-HNNXBMFYSA-N 0 0 435.615 3.906 50 0 IHAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000012998220 568897178 /nfs/dbraw/zinc/89/71/78/568897178.db2.gz MHLZBAWMENGHJR-UHFFFAOYSA-N 0 0 448.017 3.602 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(Cl)c1 ZINC000013000267 568898129 /nfs/dbraw/zinc/89/81/29/568898129.db2.gz BDERBTBPUJVGGW-UHFFFAOYSA-N 0 0 435.929 3.703 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)nnc1C1CC1 ZINC000013002786 568898557 /nfs/dbraw/zinc/89/85/57/568898557.db2.gz HEUYISQYOFRTIE-CQSZACIVSA-N 0 0 439.463 3.574 50 0 IHAARN COc1cccc([C@@H](CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N2CCCC2)c1 ZINC000013010397 568899944 /nfs/dbraw/zinc/89/99/44/568899944.db2.gz MDFWVGYPTULKHC-HSZRJFAPSA-N 0 0 446.551 3.634 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)COc2ccc(Br)cc2Br)n1 ZINC000013011043 568900135 /nfs/dbraw/zinc/90/01/35/568900135.db2.gz NFPUQVFYQWFNHT-UHFFFAOYSA-N 0 0 445.155 3.610 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000013022689 568902471 /nfs/dbraw/zinc/90/24/71/568902471.db2.gz YHVIWYAEOREMQQ-XMMPIXPASA-N 0 0 438.543 3.857 50 0 IHAARN O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ncc[nH]1 ZINC000524729250 568903848 /nfs/dbraw/zinc/90/38/48/568903848.db2.gz LIVQUTCQFPIRRS-NRFANRHFSA-N 0 0 429.480 3.724 50 0 biogenic IHAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000104370840 568904369 /nfs/dbraw/zinc/90/43/69/568904369.db2.gz ROKZNMWNVPZPAQ-XQNSMLJCSA-N 0 0 442.471 3.577 50 0 IHAARN CCOC(=O)[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccccc1 ZINC000245226312 568912916 /nfs/dbraw/zinc/91/29/16/568912916.db2.gz QGBSTFRTQTXPJH-NJDAHSKKSA-N 0 0 435.476 3.827 50 0 IHAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254632 568913484 /nfs/dbraw/zinc/91/34/84/568913484.db2.gz BMQUXFUCWHHGEN-ANULTFPQSA-N 0 0 449.938 3.962 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000245312814 568914841 /nfs/dbraw/zinc/91/48/41/568914841.db2.gz XMPMGJJQSQPGEC-UAFMIMERSA-N 0 0 437.293 3.554 50 0 IHAARN CCOC(=O)Cc1ncccc1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000248266988 568919141 /nfs/dbraw/zinc/91/91/41/568919141.db2.gz FOTRXEOIMQUFEJ-GDNZZTSVSA-N 0 0 426.357 3.827 50 0 IHAARN CNS(=O)(=O)Cc1cccc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)c1 ZINC000089392301 568922254 /nfs/dbraw/zinc/92/22/54/568922254.db2.gz BPFJWBFFFFMSPJ-UHFFFAOYSA-N 0 0 435.549 3.628 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000002105775 568924927 /nfs/dbraw/zinc/92/49/27/568924927.db2.gz NESXMZAOHRXWFC-CYBMUJFWSA-N 0 0 425.437 3.984 50 0 IHAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O ZINC000064438465 568928321 /nfs/dbraw/zinc/92/83/21/568928321.db2.gz VYXDEOOXUAZQIM-UHFFFAOYSA-N 0 0 427.932 3.561 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 ZINC000064439125 568928372 /nfs/dbraw/zinc/92/83/72/568928372.db2.gz ROLWIGBJGUSAAX-UHFFFAOYSA-N 0 0 449.536 3.932 50 0 IHAARN CCCCNC(=O)Cn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O ZINC000064439165 568928417 /nfs/dbraw/zinc/92/84/17/568928417.db2.gz UDSIDXRSATVDHF-UHFFFAOYSA-N 0 0 437.525 3.708 50 0 IHAARN CCN(CC)C(=O)Cn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O ZINC000064439162 568928437 /nfs/dbraw/zinc/92/84/37/568928437.db2.gz ITJDURUZVIUDFL-UHFFFAOYSA-N 0 0 437.525 3.660 50 0 IHAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 ZINC000064439161 568928512 /nfs/dbraw/zinc/92/85/12/568928512.db2.gz MVYNGQSYFBVEOI-UHFFFAOYSA-N 0 0 449.536 3.851 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064473381 568930327 /nfs/dbraw/zinc/93/03/27/568930327.db2.gz QGVZSGRJIARULR-UHFFFAOYSA-N 0 0 429.524 3.833 50 0 IHAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000006547570 568930949 /nfs/dbraw/zinc/93/09/49/568930949.db2.gz XADRACODGWZAHS-WOJBJXKFSA-N 0 0 445.560 3.698 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000169299296 568931338 /nfs/dbraw/zinc/93/13/38/568931338.db2.gz HSCXWVCBXQDGDC-YTFSRNRJSA-N 0 0 443.478 3.702 50 0 IHAARN CCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1 ZINC000064566022 568932830 /nfs/dbraw/zinc/93/28/30/568932830.db2.gz UHDMNHRSFVQNNS-UHFFFAOYSA-N 0 0 439.581 3.755 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1c(F)cccc1F)C2 ZINC000064566222 568933173 /nfs/dbraw/zinc/93/31/73/568933173.db2.gz IEJVAAPRAFOKTR-UHFFFAOYSA-N 0 0 435.434 3.538 50 0 IHAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2c1=O ZINC000064593071 568935806 /nfs/dbraw/zinc/93/58/06/568935806.db2.gz WRSKYXUDQCWJBO-UHFFFAOYSA-N 0 0 449.536 3.743 50 0 IHAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)Nc1ccc(F)cc1 ZINC000064593373 568935838 /nfs/dbraw/zinc/93/58/38/568935838.db2.gz RTMFUVJSFYQCCN-KRWDZBQOSA-N 0 0 441.463 3.668 50 0 IHAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)Nc1ccccc1C ZINC000064593379 568935912 /nfs/dbraw/zinc/93/59/12/568935912.db2.gz NDACQJOILPQAOT-GOSISDBHSA-N 0 0 437.500 3.837 50 0 IHAARN COc1cccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)c1 ZINC000064593636 568936078 /nfs/dbraw/zinc/93/60/78/568936078.db2.gz NPIWOOLPFNTBAZ-MRXNPFEDSA-N 0 0 434.521 3.869 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)o1 ZINC000064666444 568942659 /nfs/dbraw/zinc/94/26/59/568942659.db2.gz WPGKJXNGKFJMDB-JOCHJYFZSA-N 0 0 438.549 3.637 50 0 IHAARN O=C(NCc1ccccc1Cl)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665412 568942716 /nfs/dbraw/zinc/94/27/16/568942716.db2.gz MQVQEIWMXIWUBN-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(C)C ZINC000036040751 568943970 /nfs/dbraw/zinc/94/39/70/568943970.db2.gz OYWXMUKIAWLJPZ-UHFFFAOYSA-N 0 0 436.647 3.851 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000064712343 568944920 /nfs/dbraw/zinc/94/49/20/568944920.db2.gz IFKLYOPPJZHPMP-UHFFFAOYSA-N 0 0 448.483 3.923 50 0 IHAARN O=C(c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1)N1CCOCC1 ZINC000036068705 568945451 /nfs/dbraw/zinc/94/54/51/568945451.db2.gz SXIUCCKVIKFBRP-UHFFFAOYSA-N 0 0 427.451 3.628 50 0 IHAARN CN1CCN(C(=O)c2coc(CN(Cc3ccc(F)cc3)Cc3ccccc3F)n2)CC1 ZINC000036068723 568945455 /nfs/dbraw/zinc/94/54/55/568945455.db2.gz XMSWOKXDLYRMMS-UHFFFAOYSA-N 0 0 440.494 3.543 50 0 IHAARN COCCNC(=O)c1cccc(Nc2c(Oc3ccc(C(C)C)cc3)cnn(C)c2=O)c1 ZINC000036073167 568945694 /nfs/dbraw/zinc/94/56/94/568945694.db2.gz HAUPTKFHBGMLFP-UHFFFAOYSA-N 0 0 436.512 3.816 50 0 IHAARN COc1cccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073552 568946634 /nfs/dbraw/zinc/94/66/34/568946634.db2.gz HYVWNIMZCZXZAC-IBGZPJMESA-N 0 0 435.524 3.919 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)c1 ZINC000064746857 568949504 /nfs/dbraw/zinc/94/95/04/568949504.db2.gz NIBKZNVEYMHQIG-UHFFFAOYSA-N 0 0 438.509 3.587 50 0 IHAARN O=C(Cn1cc(-c2ccccc2)c(N2CCSCC2)n1)NCc1ccc(F)cc1F ZINC000064747932 568950527 /nfs/dbraw/zinc/95/05/27/568950527.db2.gz SAHGXIYTJYKCIM-UHFFFAOYSA-N 0 0 428.508 3.698 50 0 IHAARN O=C(C[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000064757422 568951627 /nfs/dbraw/zinc/95/16/27/568951627.db2.gz GMZBGKWMZXPXTN-GOSISDBHSA-N 0 0 442.510 3.948 50 0 IHAARN CCn1c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2n(CC)c1=O ZINC000064775629 568954704 /nfs/dbraw/zinc/95/47/04/568954704.db2.gz MQHIDUUCYFKNEK-UHFFFAOYSA-N 0 0 438.347 3.715 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000036119788 568956822 /nfs/dbraw/zinc/95/68/22/568956822.db2.gz HORVBZRJXLAPFJ-OAQYLSRUSA-N 0 0 444.597 3.692 50 0 IHAARN CCC(=O)N1CCN(c2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789625 568957162 /nfs/dbraw/zinc/95/71/62/568957162.db2.gz MOTWSJYACZTKOZ-UHFFFAOYSA-N 0 0 439.537 3.541 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)COC ZINC000036120892 568957714 /nfs/dbraw/zinc/95/77/14/568957714.db2.gz DXCXJIWIJWYLJG-OXJNMPFZSA-N 0 0 448.560 3.666 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H]1CCCO1 ZINC000036122066 568958176 /nfs/dbraw/zinc/95/81/76/568958176.db2.gz MTPLCBFFQNUCNV-TZIWHRDSSA-N 0 0 442.581 3.589 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)COC ZINC000036121463 568958343 /nfs/dbraw/zinc/95/83/43/568958343.db2.gz OJUJHWWABALPOF-OXQOHEQNSA-N 0 0 448.560 3.666 50 0 IHAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)NC(C)C ZINC000036123202 568958488 /nfs/dbraw/zinc/95/84/88/568958488.db2.gz ADZVSKKUWHFXAE-LJQANCHMSA-N 0 0 433.549 3.832 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2Cl)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791864 568959120 /nfs/dbraw/zinc/95/91/20/568959120.db2.gz DETSLZTWUKQCCX-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NC1CCCC1 ZINC000064792991 568959630 /nfs/dbraw/zinc/95/96/30/568959630.db2.gz JKWKUQJZSIMRIU-NRFANRHFSA-N 0 0 434.931 3.836 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064801803 568961509 /nfs/dbraw/zinc/96/15/09/568961509.db2.gz RATIJIPEHMBSRX-UHFFFAOYSA-N 0 0 439.541 3.938 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)cc1 ZINC000064814437 568964067 /nfs/dbraw/zinc/96/40/67/568964067.db2.gz NYONOLGSQLGKHZ-UHFFFAOYSA-N 0 0 449.385 3.642 50 0 IHAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000064816444 568965193 /nfs/dbraw/zinc/96/51/93/568965193.db2.gz QBRVYIXMADWUIF-QHCPKHFHSA-N 0 0 438.915 3.589 50 0 IHAARN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036156677 568965434 /nfs/dbraw/zinc/96/54/34/568965434.db2.gz SFNRZUGLPGEAFI-GOSISDBHSA-N 0 0 441.597 3.652 50 0 IHAARN COc1cccc(CNC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000064819177 568966006 /nfs/dbraw/zinc/96/60/06/568966006.db2.gz DDXZBGFKUWEPTG-UHFFFAOYSA-N 0 0 445.445 3.689 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)(C)C ZINC000036158723 568966743 /nfs/dbraw/zinc/96/67/43/568966743.db2.gz QITLUEQXEBUKOT-MRXNPFEDSA-N 0 0 435.634 3.888 50 0 IHAARN CCNC(=O)N1CCS[C@@]12c1cc(OC)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036163161 568967893 /nfs/dbraw/zinc/96/78/93/568967893.db2.gz CJSJRRKEDJBGJD-OAQYLSRUSA-N 0 0 431.945 3.827 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000064835844 568968851 /nfs/dbraw/zinc/96/88/51/568968851.db2.gz RZZJWDSAHOKADQ-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064835774 568968925 /nfs/dbraw/zinc/96/89/25/568968925.db2.gz HWPNBNSDURXWLK-UHFFFAOYSA-N 0 0 431.945 3.810 50 0 IHAARN COc1cc(C(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc(OC)c1OC ZINC000064840863 568969991 /nfs/dbraw/zinc/96/99/91/568969991.db2.gz PBOPKXZTPAEXBW-UHFFFAOYSA-N 0 0 431.876 3.731 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1 ZINC000064841353 568970009 /nfs/dbraw/zinc/97/00/09/568970009.db2.gz PUZVMGWQKTUQAI-UHFFFAOYSA-N 0 0 448.932 3.602 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5OC)CC4)nn3)n2)cc1 ZINC000064837925 568970051 /nfs/dbraw/zinc/97/00/51/568970051.db2.gz YMFAHBMCVPBQGB-UHFFFAOYSA-N 0 0 444.495 3.537 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842457 568970796 /nfs/dbraw/zinc/97/07/96/568970796.db2.gz BNZILESRMXMTNS-UHFFFAOYSA-N 0 0 432.480 3.878 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1OC ZINC000064845374 568971955 /nfs/dbraw/zinc/97/19/55/568971955.db2.gz OUQNWKFIEOHOLH-UHFFFAOYSA-N 0 0 436.555 3.867 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3c(C)sc(C)c3-c3cc(C)no3)CC2)c1 ZINC000064845414 568971974 /nfs/dbraw/zinc/97/19/74/568971974.db2.gz IMYYUJTXASEQFF-UHFFFAOYSA-N 0 0 447.582 3.848 50 0 IHAARN CCCN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@H](O)COCC ZINC000036206427 568972727 /nfs/dbraw/zinc/97/27/27/568972727.db2.gz NXRXUWAPAVTOSW-INIZCTEOSA-N 0 0 435.977 3.914 50 0 IHAARN Cc1sc2nc(CN(CCC(C)C)C[C@H](O)COCc3ccco3)[nH]c(=O)c2c1C ZINC000036207048 568972770 /nfs/dbraw/zinc/97/27/70/568972770.db2.gz ABIDYYLAKOBSRH-KRWDZBQOSA-N 0 0 433.574 3.620 50 0 IHAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21 ZINC000064861931 568973979 /nfs/dbraw/zinc/97/39/79/568973979.db2.gz LGAGZYXENWHZJX-UHFFFAOYSA-N 0 0 438.347 3.732 50 0 IHAARN COc1cc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc(OC)c1 ZINC000064866022 568974261 /nfs/dbraw/zinc/97/42/61/568974261.db2.gz PAUZPRLKZMXUPE-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210082 568974444 /nfs/dbraw/zinc/97/44/44/568974444.db2.gz NEWBLFGFZCWSFU-IERDGZPVSA-N 0 0 448.007 3.782 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036213119 568976812 /nfs/dbraw/zinc/97/68/12/568976812.db2.gz RQLKSRLNBGICKS-XXBNENTESA-N 0 0 435.568 3.561 50 0 IHAARN COCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C ZINC000036225392 568978118 /nfs/dbraw/zinc/97/81/18/568978118.db2.gz XMUBEBCODJZMNZ-HNNXBMFYSA-N 0 0 436.647 3.939 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(C)c(C)c1 ZINC000064889057 568980126 /nfs/dbraw/zinc/98/01/26/568980126.db2.gz AFFBOJSGGBNMKV-UHFFFAOYSA-N 0 0 428.558 3.712 50 0 IHAARN COc1ccc(/C=C/c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4CC(C)C)no2)cc1OC ZINC000064890915 568981000 /nfs/dbraw/zinc/98/10/00/568981000.db2.gz QAMMGNUWTUONSQ-UXBLZVDNSA-N 0 0 448.479 3.583 50 0 IHAARN Cc1nc2cc(-c3noc([C@H](C)NC(=O)c4ccco4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890482 568981296 /nfs/dbraw/zinc/98/12/96/568981296.db2.gz QXHDEBRIWPQVPF-ZDUSSCGKSA-N 0 0 433.468 3.954 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3cccc4c3CCCC4)n2)c1 ZINC000064891863 568982737 /nfs/dbraw/zinc/98/27/37/568982737.db2.gz BGZITHIZYHTSMC-UHFFFAOYSA-N 0 0 430.508 3.712 50 0 IHAARN CC(C)c1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1 ZINC000064892182 568982945 /nfs/dbraw/zinc/98/29/45/568982945.db2.gz OGMFSTWHYKFGJH-GOSISDBHSA-N 0 0 444.535 3.987 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036253020 568984392 /nfs/dbraw/zinc/98/43/92/568984392.db2.gz KIXALAUGWKYEJE-RUZDIDTESA-N 0 0 433.596 3.671 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)ccc2=O)cc1 ZINC000064927284 568987051 /nfs/dbraw/zinc/98/70/51/568987051.db2.gz VDVLFENZBTVBDV-UHFFFAOYSA-N 0 0 430.552 3.636 50 0 IHAARN O=C(NCc1ccccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928870 568987229 /nfs/dbraw/zinc/98/72/29/568987229.db2.gz VOSHTIUADWPRAW-KRWDZBQOSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928521 568987637 /nfs/dbraw/zinc/98/76/37/568987637.db2.gz FSJVCHRTMMDOLD-SFHVURJKSA-N 0 0 426.536 3.817 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928589 568987791 /nfs/dbraw/zinc/98/77/91/568987791.db2.gz VLOYDUPZUXILOM-FPOVZHCZSA-N 0 0 448.542 3.726 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2C(=O)C2CCCCC2)s1 ZINC000064930276 568988692 /nfs/dbraw/zinc/98/86/92/568988692.db2.gz LAMYDCPSFGPCLL-HNNXBMFYSA-N 0 0 428.514 3.763 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NCc2ccco2)s1 ZINC000064930875 568989269 /nfs/dbraw/zinc/98/92/69/568989269.db2.gz FQBHGAZKXFBQDC-HNNXBMFYSA-N 0 0 433.440 3.708 50 0 IHAARN O=C(NCCc1cccs1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681188 568991679 /nfs/dbraw/zinc/99/16/79/568991679.db2.gz PCFSAVVHNRBAIS-UHFFFAOYSA-N 0 0 428.517 3.732 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)o1 ZINC000169681154 568991736 /nfs/dbraw/zinc/99/17/36/568991736.db2.gz PKWVZMCVWDXFHS-UHFFFAOYSA-N 0 0 430.439 3.668 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1OC ZINC000064945349 568993664 /nfs/dbraw/zinc/99/36/64/568993664.db2.gz FAGGYOYJLRLNJZ-UHFFFAOYSA-N 0 0 436.537 3.787 50 0 IHAARN CCCOc1ccc(Cn2c3nn(Cc4ccccc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946629 568993690 /nfs/dbraw/zinc/99/36/90/568993690.db2.gz NKGOONJSQFBQCZ-UHFFFAOYSA-N 0 0 446.532 3.758 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000036311464 568997108 /nfs/dbraw/zinc/99/71/08/568997108.db2.gz CKVUZBDTBCYYSD-VWLOTQADSA-N 0 0 435.568 3.716 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1 ZINC000036311923 568997412 /nfs/dbraw/zinc/99/74/12/568997412.db2.gz YKMNOPDMYXOACJ-XMMPIXPASA-N 0 0 449.551 3.679 50 0 IHAARN COc1cc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)CC(C)(C)C)CC2)cc(OC)c1 ZINC000036311678 568998381 /nfs/dbraw/zinc/99/83/81/568998381.db2.gz YHXYEAMLRARWAX-QHCPKHFHSA-N 0 0 445.604 3.782 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 ZINC000064957077 568999334 /nfs/dbraw/zinc/99/93/34/568999334.db2.gz UUDSAJRITXMJDR-UHFFFAOYSA-N 0 0 426.325 3.641 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)[nH]c3C2)cc1 ZINC000064959164 568999826 /nfs/dbraw/zinc/99/98/26/568999826.db2.gz TVEXOOYJGLUSRB-INIZCTEOSA-N 0 0 436.895 3.880 50 0 IHAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2C)cc1OC ZINC000064967666 569001449 /nfs/dbraw/zinc/00/14/49/569001449.db2.gz LBQSFJGMBYUIKM-UHFFFAOYSA-N 0 0 433.468 3.868 50 0 IHAARN Cc1cccc(CNC(=O)CN2c3ccccc3N(C(=O)Nc3ccccc3)CC2=O)c1 ZINC000064971379 569076220 /nfs/dbraw/zinc/07/62/20/569076220.db2.gz HHIIFDQJUNOTKF-UHFFFAOYSA-N 0 0 428.492 3.697 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCc1ccc(Cl)cc1)c2=O ZINC000064971153 569076523 /nfs/dbraw/zinc/07/65/23/569076523.db2.gz SFJAHZCCVWRUCB-QGZVFWFLSA-N 0 0 449.942 3.772 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cc(C)ccc2OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976718 569077110 /nfs/dbraw/zinc/07/71/10/569077110.db2.gz MCEJYHCEJXAABZ-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cc1Cl ZINC000064977085 569077341 /nfs/dbraw/zinc/07/73/41/569077341.db2.gz YSTZRDJEZJMVLT-UHFFFAOYSA-N 0 0 436.961 3.762 50 0 IHAARN O=C(CCC(=O)N1CCCCCC1)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000064978177 569077662 /nfs/dbraw/zinc/07/76/62/569077662.db2.gz NFBGUHHLAQNTPV-UHFFFAOYSA-N 0 0 433.552 3.689 50 0 IHAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000036340217 569078657 /nfs/dbraw/zinc/07/86/57/569078657.db2.gz MSHTUYKEGODDNM-HXUWFJFHSA-N 0 0 447.023 3.636 50 0 IHAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036342716 569079447 /nfs/dbraw/zinc/07/94/47/569079447.db2.gz DFRWVOWARASOMR-VWLOTQADSA-N 0 0 446.595 3.795 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccco3)Oc3ccc(Cl)cc32)cc1 ZINC000064986154 569082072 /nfs/dbraw/zinc/08/20/72/569082072.db2.gz HDBSEIFIFUQJKH-HXUWFJFHSA-N 0 0 446.912 3.514 50 0 IHAARN Cn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986865 569082458 /nfs/dbraw/zinc/08/24/58/569082458.db2.gz FLNKOOVHXQIFID-UHFFFAOYSA-N 0 0 444.944 3.705 50 0 IHAARN COc1ccc(CCC(=O)NCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064991051 569083549 /nfs/dbraw/zinc/08/35/49/569083549.db2.gz MODLDEJPJKIKIG-UHFFFAOYSA-N 0 0 430.917 3.701 50 0 IHAARN O=C(NCc1nnc(C(=O)Nc2ccccc2)s1)Nc1cccc(Br)c1 ZINC000064991434 569083655 /nfs/dbraw/zinc/08/36/55/569083655.db2.gz IKYJAUQILKSZID-UHFFFAOYSA-N 0 0 432.303 3.875 50 0 IHAARN Cn1c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2nc1C(F)(F)F ZINC000036359816 569086566 /nfs/dbraw/zinc/08/65/66/569086566.db2.gz VYKPHDJARRRJEV-UHFFFAOYSA-N 0 0 447.392 3.510 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)NC[C@@H](O)c4ccccc4)ccc3c2=O)cc1Cl ZINC000036360674 569086679 /nfs/dbraw/zinc/08/66/79/569086679.db2.gz HJQKKDSXZBNRGD-OAQYLSRUSA-N 0 0 449.894 3.511 50 0 IHAARN COc1ccc(-c2nnc3sc([C@H](C)n4cc(Br)c(C)n4)nn32)cc1OC ZINC000036365676 569086935 /nfs/dbraw/zinc/08/69/35/569086935.db2.gz RLIRBPYNAWCPAQ-JTQLQIEISA-N 0 0 449.334 3.747 50 0 IHAARN Cc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ncn2)cc1 ZINC000065007845 569087345 /nfs/dbraw/zinc/08/73/45/569087345.db2.gz FCRMRJODVZWERK-UHFFFAOYSA-N 0 0 431.496 3.577 50 0 IHAARN COCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006991 569087452 /nfs/dbraw/zinc/08/74/52/569087452.db2.gz QTUCOGBWZUYJAB-CQSZACIVSA-N 0 0 433.549 3.509 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C ZINC000065007230 569087632 /nfs/dbraw/zinc/08/76/32/569087632.db2.gz ILQDJLWOPPTGSL-UHFFFAOYSA-N 0 0 432.561 3.972 50 0 IHAARN Cc1ccc(-c2ccc(Nc3ccc(F)cc3C)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009488 569088029 /nfs/dbraw/zinc/08/80/29/569088029.db2.gz DCYPUYVHMVNOMO-UHFFFAOYSA-N 0 0 442.516 3.664 50 0 IHAARN Cc1ccc(C)c(N2CCN(c3ccc(SCC(=O)NCc4ccccc4)nn3)CC2)c1 ZINC000065026038 569090817 /nfs/dbraw/zinc/09/08/17/569090817.db2.gz SAKIRQFOTUYWAC-UHFFFAOYSA-N 0 0 447.608 3.829 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000065025840 569090875 /nfs/dbraw/zinc/09/08/75/569090875.db2.gz FSCAHDNSMFJMSN-UHFFFAOYSA-N 0 0 447.564 3.737 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1F ZINC000065034578 569092071 /nfs/dbraw/zinc/09/20/71/569092071.db2.gz IDYMWEQRDZPFAS-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000169753784 569093660 /nfs/dbraw/zinc/09/36/60/569093660.db2.gz SHWUJVYMMWNRQR-KRWDZBQOSA-N 0 0 426.904 3.756 50 0 IHAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccccc1Br ZINC000169754065 569093735 /nfs/dbraw/zinc/09/37/35/569093735.db2.gz LMLQWWRYPDNVIK-OAHLLOKOSA-N 0 0 429.293 3.987 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1 ZINC000169753916 569093763 /nfs/dbraw/zinc/09/37/63/569093763.db2.gz LSZDCHSKGUNZOE-KRWDZBQOSA-N 0 0 436.512 3.501 50 0 IHAARN CC(C)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000169757868 569094109 /nfs/dbraw/zinc/09/41/09/569094109.db2.gz NIZYVYBMTXXANV-NRFANRHFSA-N 0 0 439.899 3.979 50 0 IHAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2C(C)C)C2=C1C(=O)OC2 ZINC000169758197 569094352 /nfs/dbraw/zinc/09/43/52/569094352.db2.gz PATZAPASHDMPMT-QHCPKHFHSA-N 0 0 449.507 3.725 50 0 IHAARN O=C(NCCCc1ccccc1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760343 569094546 /nfs/dbraw/zinc/09/45/46/569094546.db2.gz OPOGQFDDYVMWBB-UHFFFAOYSA-N 0 0 440.547 3.786 50 0 IHAARN Cc1noc2nc(CCC(=O)NCc3ccccc3F)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056750 569094877 /nfs/dbraw/zinc/09/48/77/569094877.db2.gz AFIICHZMYUHVKJ-GASCZTMLSA-N 0 0 425.508 3.797 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)c1 ZINC000065059425 569096113 /nfs/dbraw/zinc/09/61/13/569096113.db2.gz NEZKPCVBXHQHQS-DEOSSOPVSA-N 0 0 444.597 3.926 50 0 IHAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000006878328 569096282 /nfs/dbraw/zinc/09/62/82/569096282.db2.gz TYAOCEIKWOQKJD-UHFFFAOYSA-N 0 0 433.921 3.514 50 0 IHAARN Cc1ccc(N2C[C@H](c3noc(C4CCN(C(=O)c5ccccc5)CC4)n3)CC2=O)cc1 ZINC000169762101 569096551 /nfs/dbraw/zinc/09/65/51/569096551.db2.gz VFKDTGWLAFJDNY-HXUWFJFHSA-N 0 0 430.508 3.918 50 0 IHAARN CSc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000065061902 569096961 /nfs/dbraw/zinc/09/69/61/569096961.db2.gz IGJTXHOLQZOOOE-HNNXBMFYSA-N 0 0 438.640 3.823 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(-c3noc(-c4ccc(OC)cc4)n3)s2)CC1 ZINC000065062862 569097320 /nfs/dbraw/zinc/09/73/20/569097320.db2.gz VIWIACQKBZYJDI-UHFFFAOYSA-N 0 0 441.509 3.889 50 0 IHAARN COc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)c1OC ZINC000169769157 569098092 /nfs/dbraw/zinc/09/80/92/569098092.db2.gz CKYDCBYGXZNVSR-QGZVFWFLSA-N 0 0 439.859 3.937 50 0 IHAARN Fc1ccc(OCc2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)cc1 ZINC000169769170 569098096 /nfs/dbraw/zinc/09/80/96/569098096.db2.gz PGPRRPUYAKPESX-KRWDZBQOSA-N 0 0 427.823 3.971 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(I)c1 ZINC000036396758 569099194 /nfs/dbraw/zinc/09/91/94/569099194.db2.gz SCPYMDWLAHSQPM-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000065075291 569099556 /nfs/dbraw/zinc/09/95/56/569099556.db2.gz HFBWFONHWLOKEA-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccc(C)c1 ZINC000065077112 569100433 /nfs/dbraw/zinc/10/04/33/569100433.db2.gz GPYKQDCXAFWOKO-UHFFFAOYSA-N 0 0 432.567 3.646 50 0 IHAARN Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1C ZINC000065078195 569100882 /nfs/dbraw/zinc/10/08/82/569100882.db2.gz ZCJCHQKWWSNQAF-CQSZACIVSA-N 0 0 432.567 3.786 50 0 IHAARN CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)n1 ZINC000169777510 569102846 /nfs/dbraw/zinc/10/28/46/569102846.db2.gz UCUKQCCHLOWJIH-UHFFFAOYSA-N 0 0 445.321 3.691 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777542 569102877 /nfs/dbraw/zinc/10/28/77/569102877.db2.gz RPPBBCSFOYIXNL-UHFFFAOYSA-N 0 0 432.459 3.540 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2cccnc2)c(OC)c1 ZINC000065095841 569103568 /nfs/dbraw/zinc/10/35/68/569103568.db2.gz DHWDHFPPSVYIRS-UHFFFAOYSA-N 0 0 447.470 3.724 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)N(C)c4cccc(C)c4)n3C)n2)cc1 ZINC000065099938 569104846 /nfs/dbraw/zinc/10/48/46/569104846.db2.gz NFZBFEIKFCMKAF-UHFFFAOYSA-N 0 0 434.525 3.904 50 0 IHAARN Cn1cc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2C)c(-c2ccccc2)n1 ZINC000065099571 569105298 /nfs/dbraw/zinc/10/52/98/569105298.db2.gz REUDGNJCRMNUMR-UHFFFAOYSA-N 0 0 430.537 3.564 50 0 IHAARN COc1cc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc(OC)c1 ZINC000065113411 569108380 /nfs/dbraw/zinc/10/83/80/569108380.db2.gz KQDXFSFWIPXANZ-UHFFFAOYSA-N 0 0 444.491 3.856 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)CC1 ZINC000065113788 569108502 /nfs/dbraw/zinc/10/85/02/569108502.db2.gz JVMKHMKFRNKDEI-UHFFFAOYSA-N 0 0 430.508 3.957 50 0 IHAARN C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1)c1ccccc1 ZINC000065130234 569109054 /nfs/dbraw/zinc/10/90/54/569109054.db2.gz CDMFQLUOIAVSCL-FQEVSTJZSA-N 0 0 441.531 3.549 50 0 IHAARN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)c(C)c1 ZINC000065130128 569109077 /nfs/dbraw/zinc/10/90/77/569109077.db2.gz DHQPIHJRKIQGCT-FQEVSTJZSA-N 0 0 447.579 3.908 50 0 IHAARN CCOc1ccccc1NC(=O)c1cn(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1 ZINC000065131210 569109279 /nfs/dbraw/zinc/10/92/79/569109279.db2.gz IYHHVQXUZBNIRE-UHFFFAOYSA-N 0 0 442.541 3.554 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@H](C)C3)ncn2)cc1 ZINC000065133279 569109969 /nfs/dbraw/zinc/10/99/69/569109969.db2.gz BRFACDOAXKNULX-IYBDPMFKSA-N 0 0 428.558 3.866 50 0 IHAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3cccc(C)c3)ncn2)CC1 ZINC000065133626 569110076 /nfs/dbraw/zinc/11/00/76/569110076.db2.gz FCBWNUYXDZDEEJ-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCc1ccc2c(c1)OCO2 ZINC000065136459 569110286 /nfs/dbraw/zinc/11/02/86/569110286.db2.gz UEFTXOGKMLGVPV-INIZCTEOSA-N 0 0 427.476 3.895 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)cccc1C(=O)NCc1cc(F)cc(F)c1 ZINC000065150141 569110974 /nfs/dbraw/zinc/11/09/74/569110974.db2.gz OHJXBFMUMJSJLL-UHFFFAOYSA-N 0 0 439.462 3.566 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O ZINC000065151064 569111633 /nfs/dbraw/zinc/11/16/33/569111633.db2.gz ZMSPMFLVQFBWHU-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1 ZINC000065154336 569112216 /nfs/dbraw/zinc/11/22/16/569112216.db2.gz KQDBYLCXSMVGNV-UHFFFAOYSA-N 0 0 446.463 3.600 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)c(N2CCCCCC2)c1)C1CC1 ZINC000065166013 569113119 /nfs/dbraw/zinc/11/31/19/569113119.db2.gz PGJHDAMVEJBBDW-UHFFFAOYSA-N 0 0 447.583 3.773 50 0 IHAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 ZINC000065179983 569113618 /nfs/dbraw/zinc/11/36/18/569113618.db2.gz IGVJMGDDJHBOSM-UHFFFAOYSA-N 0 0 442.943 3.744 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4cccc(Cl)c4C)CC3=O)ccc21 ZINC000065195362 569115309 /nfs/dbraw/zinc/11/53/09/569115309.db2.gz BOKNUQNJQDHVJN-MRXNPFEDSA-N 0 0 425.916 3.939 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065196560 569115716 /nfs/dbraw/zinc/11/57/16/569115716.db2.gz XYYXVYUHIFGSDJ-UHFFFAOYSA-N 0 0 445.376 3.663 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(Cl)cc3F)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196564 569115717 /nfs/dbraw/zinc/11/57/17/569115717.db2.gz OQXSTDAATLOMFB-UHFFFAOYSA-N 0 0 446.269 3.951 50 0 IHAARN COc1cccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)c1OC ZINC000065201135 569115996 /nfs/dbraw/zinc/11/59/96/569115996.db2.gz KAZJDYBIWFRZIH-UHFFFAOYSA-N 0 0 436.533 3.894 50 0 IHAARN CCN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000006998734 569116566 /nfs/dbraw/zinc/11/65/66/569116566.db2.gz LXGWGQFAFXZUMF-ZNKOEICNSA-N 0 0 431.598 3.569 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn32)cc1Cl ZINC000065217299 569117042 /nfs/dbraw/zinc/11/70/42/569117042.db2.gz CDNPFVFMWPNXPO-UHFFFAOYSA-N 0 0 448.957 3.907 50 0 IHAARN COc1ccc(-c2cc3n(n2)CCCN(S(=O)(=O)c2cccc4cccnc42)C3)cc1 ZINC000065225386 569117739 /nfs/dbraw/zinc/11/77/39/569117739.db2.gz DRNUUXNYNRDSRG-UHFFFAOYSA-N 0 0 434.521 3.702 50 0 IHAARN CCOC(=O)CC1(NC(=O)N2CCCn3nc(-c4cccnc4)cc3C2)CCCCC1 ZINC000065225573 569117910 /nfs/dbraw/zinc/11/79/10/569117910.db2.gz NMDRQNPBKLIDBW-UHFFFAOYSA-N 0 0 425.533 3.517 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)o2)cc1 ZINC000065229726 569118233 /nfs/dbraw/zinc/11/82/33/569118233.db2.gz TUAZJBOAFKRLSO-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cc(F)cc(F)c4)CC3)o2)cc1 ZINC000065229716 569118283 /nfs/dbraw/zinc/11/82/83/569118283.db2.gz PAGGOSUNPMBXMS-UHFFFAOYSA-N 0 0 428.439 3.556 50 0 IHAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3cc(C)ccc3OC)nc2C)cc1 ZINC000065233037 569119093 /nfs/dbraw/zinc/11/90/93/569119093.db2.gz GVNVJPOQGRYDPM-UHFFFAOYSA-N 0 0 439.537 3.888 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2C ZINC000065235447 569119210 /nfs/dbraw/zinc/11/92/10/569119210.db2.gz OXXLKYUPABPDDJ-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCCC5)n4)ccn3n2)cc1 ZINC000065235872 569119462 /nfs/dbraw/zinc/11/94/62/569119462.db2.gz ULGHCONZTJAJAD-UHFFFAOYSA-N 0 0 446.555 3.923 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCCC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239178 569120048 /nfs/dbraw/zinc/12/00/48/569120048.db2.gz LESYPFAFZRPMCW-OAHLLOKOSA-N 0 0 435.565 3.706 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3sccc3C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239165 569120134 /nfs/dbraw/zinc/12/01/34/569120134.db2.gz MMOOWOQQDXTSBY-UHFFFAOYSA-N 0 0 447.557 3.563 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(Cl)s3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239301 569120365 /nfs/dbraw/zinc/12/03/65/569120365.db2.gz DMKFSYDMQPTGNV-UHFFFAOYSA-N 0 0 449.985 3.723 50 0 IHAARN C=C1C(N2CCCN(C(=O)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239514 569120654 /nfs/dbraw/zinc/12/06/54/569120654.db2.gz VGCVLMLZJIFNMQ-UHFFFAOYSA-N 0 0 443.613 3.837 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)c3cc(-c4cccs4)nn3c3ncccc32)cc1F ZINC000065240260 569120711 /nfs/dbraw/zinc/12/07/11/569120711.db2.gz WUNCJLLYNYRMGY-UHFFFAOYSA-N 0 0 433.468 3.859 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 ZINC000036593951 569121234 /nfs/dbraw/zinc/12/12/34/569121234.db2.gz SXLUDOXHUCJRIV-HNAYVOBHSA-N 0 0 442.610 3.807 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 ZINC000036593949 569121296 /nfs/dbraw/zinc/12/12/96/569121296.db2.gz SXLUDOXHUCJRIV-DNVCBOLYSA-N 0 0 442.610 3.807 50 0 IHAARN O=C(Cn1cnc(-c2noc(-c3cccs3)n2)c1)NCc1cccc(Br)c1 ZINC000065250220 569122193 /nfs/dbraw/zinc/12/21/93/569122193.db2.gz NCTPDIVJALWAJA-UHFFFAOYSA-N 0 0 444.314 3.741 50 0 IHAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cn(C(F)F)nc2C)c(C)n1 ZINC000036615334 569122481 /nfs/dbraw/zinc/12/24/81/569122481.db2.gz KIVPOYHLIYOQEV-UHFFFAOYSA-N 0 0 441.479 3.642 50 0 IHAARN COc1cccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c2)c1 ZINC000036611081 569123515 /nfs/dbraw/zinc/12/35/15/569123515.db2.gz PNPNZOFYWCTZMI-HXUWFJFHSA-N 0 0 426.366 3.695 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cc(C)nc2ncnn21 ZINC000036619451 569124684 /nfs/dbraw/zinc/12/46/84/569124684.db2.gz XTQUATWMVUCOCM-UHFFFAOYSA-N 0 0 437.481 3.599 50 0 IHAARN COc1ccc(OCC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065260114 569124974 /nfs/dbraw/zinc/12/49/74/569124974.db2.gz CURNTDBXILSTLL-RUZDIDTESA-N 0 0 436.556 3.979 50 0 IHAARN COC(=O)c1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)sc1CC(C)C ZINC000524732339 569126750 /nfs/dbraw/zinc/12/67/50/569126750.db2.gz PYWVFAANNMASRN-UHFFFAOYSA-N 0 0 441.509 3.648 50 0 IHAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCCCc1nc2ccccc2[nH]1 ZINC000524733265 569127092 /nfs/dbraw/zinc/12/70/92/569127092.db2.gz KBMWBTXUAFZRIF-JCNMPKRYSA-N 0 0 432.524 3.502 50 0 IHAARN COc1cccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c1OC ZINC000065265963 569127278 /nfs/dbraw/zinc/12/72/78/569127278.db2.gz AHIBMTDAJSKKKG-RUZDIDTESA-N 0 0 436.556 3.510 50 0 IHAARN Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)NCc1ccccc1NC2=NC1CCCC1 ZINC000065265928 569127291 /nfs/dbraw/zinc/12/72/91/569127291.db2.gz VNNYTROLFSDMNL-SANMLTNESA-N 0 0 432.568 3.711 50 0 IHAARN COc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC2CCCC2)c(OC)c1 ZINC000065265885 569127332 /nfs/dbraw/zinc/12/73/32/569127332.db2.gz NOWXQFWVPFGEPY-AREMUKBSSA-N 0 0 448.567 3.654 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2cn(C)c(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524734656 569127777 /nfs/dbraw/zinc/12/77/77/569127777.db2.gz ZFVMWHUMJDMKNR-OAQYLSRUSA-N 0 0 445.519 3.511 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cn4ccnc(-c5ccc(F)cc5)c4n3)CC2)c1 ZINC000065274481 569128468 /nfs/dbraw/zinc/12/84/68/569128468.db2.gz QJUUPMHNADEMGP-UHFFFAOYSA-N 0 0 431.471 3.506 50 0 IHAARN C=C1C(N2CCCN(C(=O)Nc3ccccc3F)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271924 569128780 /nfs/dbraw/zinc/12/87/80/569128780.db2.gz BRHCDIWBAAMHSA-UHFFFAOYSA-N 0 0 442.516 3.538 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272944 569129255 /nfs/dbraw/zinc/12/92/55/569129255.db2.gz ASGNJXFQADAWAU-QGZVFWFLSA-N 0 0 439.581 3.564 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273223 569129322 /nfs/dbraw/zinc/12/93/22/569129322.db2.gz CVOXGICBHFEKNO-SFHVURJKSA-N 0 0 446.613 3.671 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC3)CC1 ZINC000065273318 569129336 /nfs/dbraw/zinc/12/93/36/569129336.db2.gz VCFCSVCBPJEDER-OAHLLOKOSA-N 0 0 432.977 3.517 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1C ZINC000065273624 569129931 /nfs/dbraw/zinc/12/99/31/569129931.db2.gz SREQKSNIJAOMQM-GOSISDBHSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(F)cc4Cl)c(=O)n32)cc1 ZINC000065307817 569132500 /nfs/dbraw/zinc/13/25/00/569132500.db2.gz VUSNXYVCMFWNJB-UHFFFAOYSA-N 0 0 440.866 3.683 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc(C)nc4csc(C)c43)CC2)c(OC)c1 ZINC000065301540 569132822 /nfs/dbraw/zinc/13/28/22/569132822.db2.gz ASNGSLAXKPIRHH-UHFFFAOYSA-N 0 0 440.569 3.858 50 0 IHAARN COc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000065315669 569134201 /nfs/dbraw/zinc/13/42/01/569134201.db2.gz OCDPROJVPSOUCQ-UHFFFAOYSA-N 0 0 446.551 3.989 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 ZINC000036705261 569134375 /nfs/dbraw/zinc/13/43/75/569134375.db2.gz KMGXQEXMLUEZRV-INIZCTEOSA-N 0 0 447.557 3.845 50 0 IHAARN COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)s2)cc1 ZINC000036705251 569134416 /nfs/dbraw/zinc/13/44/16/569134416.db2.gz RBRLHGKHQCFUGI-INIZCTEOSA-N 0 0 445.566 3.791 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCCN(C(=O)c5ccncc5)CC4)nc32)cc1 ZINC000065314710 569135643 /nfs/dbraw/zinc/13/56/43/569135643.db2.gz KJQJTHJPXGWUBK-UHFFFAOYSA-N 0 0 448.552 3.547 50 0 IHAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000036708460 569135934 /nfs/dbraw/zinc/13/59/34/569135934.db2.gz JYGAFDIPPODFCC-LBPRGKRZSA-N 0 0 444.563 3.833 50 0 IHAARN COc1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000065322665 569136714 /nfs/dbraw/zinc/13/67/14/569136714.db2.gz NOGSYOWGPQVFQP-UHFFFAOYSA-N 0 0 429.480 3.621 50 0 IHAARN CCn1nc(C)c2nc(SCc3cc(C=O)ccc3OC)n(Cc3ccco3)c(=O)c21 ZINC000065329821 569136986 /nfs/dbraw/zinc/13/69/86/569136986.db2.gz DXAGESKYTQMCCH-UHFFFAOYSA-N 0 0 438.509 3.676 50 0 IHAARN COC(=O)[C@@H](NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000238832309 569137341 /nfs/dbraw/zinc/13/73/41/569137341.db2.gz GEZUZGOTERCFOA-KRWDZBQOSA-N 0 0 439.295 3.590 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000238922492 569138061 /nfs/dbraw/zinc/13/80/61/569138061.db2.gz UEQZEDUASYYCCL-UHFFFAOYSA-N 0 0 435.355 3.826 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000007264110 569138519 /nfs/dbraw/zinc/13/85/19/569138519.db2.gz BTXMKBYIYUSSPC-HSZRJFAPSA-N 0 0 426.582 3.988 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000065575709 569139815 /nfs/dbraw/zinc/13/98/15/569139815.db2.gz RNOIRYFTGGNZNR-UHFFFAOYSA-N 0 0 446.532 3.758 50 0 IHAARN Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(Br)s4)cs3)nc2n1 ZINC000037115870 569140191 /nfs/dbraw/zinc/14/01/91/569140191.db2.gz JRXBZGZKKMMXCO-UHFFFAOYSA-N 0 0 435.332 3.941 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000170595329 569141601 /nfs/dbraw/zinc/14/16/01/569141601.db2.gz CHJXAZSUQAPUHA-OALUTQOASA-N 0 0 449.979 3.909 50 0 IHAARN Cc1csc([C@H](NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C2CC2)n1 ZINC000170595799 569141808 /nfs/dbraw/zinc/14/18/08/569141808.db2.gz FYCGEBMDGXMNKP-MRXNPFEDSA-N 0 0 434.562 3.565 50 0 IHAARN COc1cccc([C@@H](NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)c2ccccn2)c1 ZINC000170598381 569142375 /nfs/dbraw/zinc/14/23/75/569142375.db2.gz PSMCQHYMRJHEAE-JOCHJYFZSA-N 0 0 445.548 3.852 50 0 IHAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000170599046 569142407 /nfs/dbraw/zinc/14/24/07/569142407.db2.gz JSWBSAVMTHKXGU-NRFANRHFSA-N 0 0 427.460 3.803 50 0 IHAARN CCOC(=O)c1nc(NC(=O)c2ccc(Cl)cc2)sc1I ZINC000170603855 569143705 /nfs/dbraw/zinc/14/37/05/569143705.db2.gz VODWCMMEAWEPAT-UHFFFAOYSA-N 0 0 436.658 3.830 50 0 IHAARN CC(C)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000170609191 569144556 /nfs/dbraw/zinc/14/45/56/569144556.db2.gz QJCJGFCMCWRFBI-FQEVSTJZSA-N 0 0 426.542 3.560 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C(=O)N(C)CC(F)(F)F ZINC000170609813 569144812 /nfs/dbraw/zinc/14/48/12/569144812.db2.gz ZTJOXRSNENSKSQ-VXGBXAGGSA-N 0 0 433.858 3.702 50 0 IHAARN CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)C(C)C ZINC000007522385 569145208 /nfs/dbraw/zinc/14/52/08/569145208.db2.gz UPYDVJVVFNNQCC-KRWDZBQOSA-N 0 0 427.545 3.704 50 0 IHAARN CC[C@H](C)C(=O)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2OC)CC1 ZINC000037276947 569145338 /nfs/dbraw/zinc/14/53/38/569145338.db2.gz VDKQTHIYACEQCO-IBGZPJMESA-N 0 0 437.584 3.799 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)CC(C)C)CC1 ZINC000037276935 569145347 /nfs/dbraw/zinc/14/53/47/569145347.db2.gz TUEVSWWCGCHHDD-UHFFFAOYSA-N 0 0 437.584 3.799 50 0 IHAARN COCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 ZINC000037279235 569145490 /nfs/dbraw/zinc/14/54/90/569145490.db2.gz ODJSETHDAYWOGB-UHFFFAOYSA-N 0 0 432.520 3.604 50 0 IHAARN CC(C)CCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(F)cc2F)c1=O ZINC000037279806 569145629 /nfs/dbraw/zinc/14/56/29/569145629.db2.gz VAMMVWDQHPGQDF-UHFFFAOYSA-N 0 0 442.441 3.861 50 0 IHAARN Cn1cc(S(=O)(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)cc1C(N)=O ZINC000170617415 569147237 /nfs/dbraw/zinc/14/72/37/569147237.db2.gz NOYJPYZUBLMGOO-UHFFFAOYSA-N 0 0 444.601 3.642 50 0 IHAARN C[S@@](=O)c1ccc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1 ZINC000170627026 569148743 /nfs/dbraw/zinc/14/87/43/569148743.db2.gz WMAIJXKHDHKXPF-RUZDIDTESA-N 0 0 437.237 3.775 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[nH]2)n1 ZINC000071284361 569150783 /nfs/dbraw/zinc/15/07/83/569150783.db2.gz YCKAXQLIOULFKB-UHFFFAOYSA-N 0 0 447.900 3.834 50 0 IHAARN Cc1sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(C(C)C)c(=O)c2c1C ZINC000009955332 569151158 /nfs/dbraw/zinc/15/11/58/569151158.db2.gz PIJOBEMUDXTXAQ-UHFFFAOYSA-N 0 0 445.566 3.793 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000009995944 569151382 /nfs/dbraw/zinc/15/13/82/569151382.db2.gz QVXWRWPLOVJEPO-UHFFFAOYSA-N 0 0 446.964 3.927 50 0 IHAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(cc4c5c(cccc35)CC4)s2)cc1 ZINC000010024654 569151547 /nfs/dbraw/zinc/15/15/47/569151547.db2.gz IJFYVKOHAIDIDC-UHFFFAOYSA-N 0 0 438.530 3.969 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000010060498 569152536 /nfs/dbraw/zinc/15/25/36/569152536.db2.gz XHILSSNUXKZPAU-UHFFFAOYSA-N 0 0 425.348 3.723 50 0 IHAARN CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000010219758 569153851 /nfs/dbraw/zinc/15/38/51/569153851.db2.gz JKMAQPXKZVREIA-UHFFFAOYSA-N 0 0 440.896 3.747 50 0 IHAARN COc1cc2nc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)sc2cc1OC ZINC000010218620 569153495 /nfs/dbraw/zinc/15/34/95/569153495.db2.gz IXFHNZGWNWIOCW-UHFFFAOYSA-N 0 0 434.539 3.815 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1 ZINC000010254607 569154175 /nfs/dbraw/zinc/15/41/75/569154175.db2.gz QVFRWRVSBNZSIF-UHFFFAOYSA-N 0 0 449.960 3.843 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000013295761 569154932 /nfs/dbraw/zinc/15/49/32/569154932.db2.gz YCYKFLKFOALMFD-ZDUSSCGKSA-N 0 0 425.493 3.851 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000013572366 569155665 /nfs/dbraw/zinc/15/56/65/569155665.db2.gz KACSQVBBBDLRDB-SJORKVTESA-N 0 0 427.595 3.541 50 0 IHAARN COc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C(C)=O)cc4OC)c3)cn2n1 ZINC000013709660 569156798 /nfs/dbraw/zinc/15/67/98/569156798.db2.gz IXBBGJHENWJDKG-UHFFFAOYSA-N 0 0 446.463 3.634 50 0 IHAARN O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014121170 569157829 /nfs/dbraw/zinc/15/78/29/569157829.db2.gz GMGMSOYVFINKDZ-UHFFFAOYSA-N 0 0 449.479 3.963 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014526287 569159275 /nfs/dbraw/zinc/15/92/75/569159275.db2.gz ZIVSZBLOTJYDDX-KRWDZBQOSA-N 0 0 430.512 3.845 50 0 IHAARN COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014578280 569159394 /nfs/dbraw/zinc/15/93/94/569159394.db2.gz NVLOPWQNTUVEHB-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000089621247 569159976 /nfs/dbraw/zinc/15/99/76/569159976.db2.gz UKKOGDRAYJJVDK-CGTJXYLNSA-N 0 0 426.479 3.624 50 0 IHAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2)c1 ZINC000016708515 569160017 /nfs/dbraw/zinc/16/00/17/569160017.db2.gz HVQRGNDYKKABRD-UHFFFAOYSA-N 0 0 435.596 3.832 50 0 IHAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)NCc1ccco1 ZINC000016841522 569163376 /nfs/dbraw/zinc/16/33/76/569163376.db2.gz NLKMRZFOMICMMM-UHFFFAOYSA-N 0 0 426.476 3.617 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c(OC)c1 ZINC000016843491 569163710 /nfs/dbraw/zinc/16/37/10/569163710.db2.gz QVVGMSSBMLMJCR-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CCCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000016845562 569163958 /nfs/dbraw/zinc/16/39/58/569163958.db2.gz LUIYFDGGOMBTKE-UHFFFAOYSA-N 0 0 449.642 3.796 50 0 IHAARN COC(=O)c1cc(C2CC2)nc2c1c(-c1ccc(Cl)cc1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850714 569164847 /nfs/dbraw/zinc/16/48/47/569164847.db2.gz HPQLQAFQKYPYKV-HNNXBMFYSA-N 0 0 445.928 3.775 50 0 IHAARN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000089834862 569165387 /nfs/dbraw/zinc/16/53/87/569165387.db2.gz LRMPLLZZCRJBPP-SFHVURJKSA-N 0 0 427.932 3.543 50 0 IHAARN O=C(CNC(=O)c1ccc(F)cc1I)Nc1cccc2ccccc21 ZINC000089873245 569166537 /nfs/dbraw/zinc/16/65/37/569166537.db2.gz OWQZHFWTUVBNCG-UHFFFAOYSA-N 0 0 448.235 3.952 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000089920263 569167783 /nfs/dbraw/zinc/16/77/83/569167783.db2.gz HADDFNRCJZPOFR-HOTGVXAUSA-N 0 0 432.542 3.623 50 0 IHAARN COc1ccc(CCNC(=O)CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000089920280 569167802 /nfs/dbraw/zinc/16/78/02/569167802.db2.gz PNLVMZQNBSNBDQ-FXAWDEMLSA-N 0 0 444.572 3.631 50 0 IHAARN CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000089941926 569168393 /nfs/dbraw/zinc/16/83/93/569168393.db2.gz XCXLOXGFNSGXGW-RBBKRZOGSA-N 0 0 438.601 3.832 50 0 IHAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 ZINC000016975153 569168709 /nfs/dbraw/zinc/16/87/09/569168709.db2.gz HBKDZJJJBRXPLO-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@@H](C)S(=O)(=O)C(C)C ZINC000089960796 569169065 /nfs/dbraw/zinc/16/90/65/569169065.db2.gz JKSPPFLYESLBCL-MLGOLLRUSA-N 0 0 438.373 3.658 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000016991308 569169527 /nfs/dbraw/zinc/16/95/27/569169527.db2.gz ARHWQJMKBDQQEQ-OAQYLSRUSA-N 0 0 429.948 3.557 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1 ZINC000017013101 569170849 /nfs/dbraw/zinc/17/08/49/569170849.db2.gz MVOUULSLIKAQRP-UHFFFAOYSA-N 0 0 433.512 3.555 50 0 IHAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000017051764 569171845 /nfs/dbraw/zinc/17/18/45/569171845.db2.gz JKJUBJKYILKUSE-UHFFFAOYSA-N 0 0 437.443 3.828 50 0 IHAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3C(F)(F)F)nn2)cc1 ZINC000017051770 569171848 /nfs/dbraw/zinc/17/18/48/569171848.db2.gz CCPBAUFHIWSBQT-UHFFFAOYSA-N 0 0 437.443 3.828 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)cc4C)n3n2)cc1 ZINC000017051965 569171853 /nfs/dbraw/zinc/17/18/53/569171853.db2.gz VMYMFOHPYLAPJX-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000017051334 569171882 /nfs/dbraw/zinc/17/18/82/569171882.db2.gz AWUPHITYVOODDO-UHFFFAOYSA-N 0 0 437.546 3.596 50 0 IHAARN COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000017094489 569173075 /nfs/dbraw/zinc/17/30/75/569173075.db2.gz RGLYIWIPRYMSGL-UHFFFAOYSA-N 0 0 425.510 3.860 50 0 IHAARN Cn1cc(C(=O)Nc2cccc(Cl)c2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149059 569174821 /nfs/dbraw/zinc/17/48/21/569174821.db2.gz VGANSJFKWAEJGV-UHFFFAOYSA-N 0 0 429.263 3.577 50 0 IHAARN COc1ccccc1-c1nc(NC[C@@H]2CCCO2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358153 569176021 /nfs/dbraw/zinc/17/60/21/569176021.db2.gz PWKFQCHVOMAWBC-INIZCTEOSA-N 0 0 434.475 3.803 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)C(C)=Nc3nnnn32)cc1OCC ZINC000000936920 569176243 /nfs/dbraw/zinc/17/62/43/569176243.db2.gz BXZFICRMLNUWLE-OAQYLSRUSA-N 0 0 435.484 3.503 50 0 IHAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003105375 569177728 /nfs/dbraw/zinc/17/77/28/569177728.db2.gz WNKJFRMKGVQINW-UHFFFAOYSA-N 0 0 444.475 3.966 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002095825 569179273 /nfs/dbraw/zinc/17/92/73/569179273.db2.gz TXLKNHMVSPHQNG-INIZCTEOSA-N 0 0 443.521 3.635 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)CNC(=O)OC(C)(C)C)ccc32)cc1 ZINC000002095847 569179290 /nfs/dbraw/zinc/17/92/90/569179290.db2.gz ZUOWPDMTAMQQEE-UHFFFAOYSA-N 0 0 425.437 3.899 50 0 biogenic IHAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002104084 569180256 /nfs/dbraw/zinc/18/02/56/569180256.db2.gz CITJSBWKZIMZQM-RDPSFJRHSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000252457157 569184389 /nfs/dbraw/zinc/18/43/89/569184389.db2.gz GEOGMSHZSONSMG-JEWRLFTDSA-N 0 0 427.511 3.740 50 0 IHAARN O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000252484348 569186406 /nfs/dbraw/zinc/18/64/06/569186406.db2.gz FUQYBKCKNHBFFY-HNNXBMFYSA-N 0 0 426.567 3.538 50 0 IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N23)cc1 ZINC000002149723 569187188 /nfs/dbraw/zinc/18/71/88/569187188.db2.gz UUXNVZZEFFUNIU-WIOPSUGQSA-N 0 0 441.487 3.655 50 0 biogenic IHAARN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H]1O ZINC000252527922 569189671 /nfs/dbraw/zinc/18/96/71/569189671.db2.gz DRYPBXVOCZPFQD-LKQDWFRTSA-N 0 0 432.344 3.606 50 0 IHAARN CC(C)(C)OC(=O)NCCCCCc1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000002198866 569191465 /nfs/dbraw/zinc/19/14/65/569191465.db2.gz WGAZJBUMVFGFTR-UHFFFAOYSA-N 0 0 443.953 3.934 50 0 IHAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)[C@@H](C)CC ZINC000037399905 569194847 /nfs/dbraw/zinc/19/48/47/569194847.db2.gz PYMFCSGLEVVSFC-INIZCTEOSA-N 0 0 447.557 3.743 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(C)=O ZINC000037401265 569195148 /nfs/dbraw/zinc/19/51/48/569195148.db2.gz AZLRALYCJHEZQR-HNNXBMFYSA-N 0 0 448.541 3.568 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](CC)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037423624 569195698 /nfs/dbraw/zinc/19/56/98/569195698.db2.gz FEPJUGSIKQTTBJ-FZKQIMNGSA-N 0 0 431.895 3.811 50 0 IHAARN CC[C@@H](C(=O)NC[C@H]1CCCO1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428291 569196033 /nfs/dbraw/zinc/19/60/33/569196033.db2.gz CFTJBJZPMGNYGD-XXXOTWMGSA-N 0 0 442.368 3.844 50 0 IHAARN CCCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccccc3C(C)C)cc21 ZINC000037520072 569198314 /nfs/dbraw/zinc/19/83/14/569198314.db2.gz AWGBJHYQNLIOFE-UHFFFAOYSA-N 0 0 438.524 3.713 50 0 IHAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000037524252 569198502 /nfs/dbraw/zinc/19/85/02/569198502.db2.gz DKAIRAZHDJTWRU-QFIPXVFZSA-N 0 0 435.568 3.557 50 0 IHAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1cc(F)cc(F)c1 ZINC000037525586 569198820 /nfs/dbraw/zinc/19/88/20/569198820.db2.gz AYMQHFGPJJJTBQ-UHFFFAOYSA-N 0 0 427.495 3.990 50 0 IHAARN CCCCOc1ccc(C(=O)NOCC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000007783572 569203162 /nfs/dbraw/zinc/20/31/62/569203162.db2.gz XTXRMXBKUCICCI-FQEVSTJZSA-N 0 0 426.513 3.729 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252669780 569209796 /nfs/dbraw/zinc/20/97/96/569209796.db2.gz IRCOATLRBMKZPF-GOSISDBHSA-N 0 0 444.965 3.513 50 0 IHAARN CCCCCOc1ccc(C=c2sc3nc(-c4cccnc4)nn3c2=O)cc1OCC ZINC000252669199 569209828 /nfs/dbraw/zinc/20/98/28/569209828.db2.gz GVHYDBKCJRNCLQ-UHFFFAOYSA-N 0 0 436.537 3.728 50 0 IHAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)C2=O)cc1C ZINC000002265080 569216201 /nfs/dbraw/zinc/21/62/01/569216201.db2.gz KEXKOGJAVHZVBA-GOSISDBHSA-N 0 0 425.794 3.906 50 0 IHAARN COc1ccc([C@H](CC(=O)N[C@@H]2CCCC[C@H]2C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000039582235 569257769 /nfs/dbraw/zinc/25/77/69/569257769.db2.gz KKONREIPCXSWSA-HVETUWLQSA-N 0 0 448.560 3.939 50 0 IHAARN Cc1c(C(=O)OC(C)C)sc(NC(=S)NC(=O)c2cccnc2)c1C(=O)OC(C)C ZINC000002316283 569272455 /nfs/dbraw/zinc/27/24/55/569272455.db2.gz DJDXURHPJASHAZ-UHFFFAOYSA-N 0 0 449.554 3.709 50 0 IHAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000252482298 569287960 /nfs/dbraw/zinc/28/79/60/569287960.db2.gz DCOQFQYJVJWCRX-NRFANRHFSA-N 0 0 447.539 3.845 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1Cl ZINC000002373521 569289247 /nfs/dbraw/zinc/28/92/47/569289247.db2.gz SDHHHJFITLDQBU-UHFFFAOYSA-N 0 0 438.738 3.806 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000008663756 569290039 /nfs/dbraw/zinc/29/00/39/569290039.db2.gz IIDCHNVUVBOBQB-UHFFFAOYSA-N 0 0 430.555 3.878 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000027748266 569295935 /nfs/dbraw/zinc/29/59/35/569295935.db2.gz ZTFLMAXUPAZOSZ-UHFFFAOYSA-N 0 0 432.496 3.708 50 0 IHAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002390936 569297763 /nfs/dbraw/zinc/29/77/63/569297763.db2.gz UXLUMINOBNLPDQ-MSOLQXFVSA-N 0 0 437.887 3.740 50 0 IHAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002390932 569297765 /nfs/dbraw/zinc/29/77/65/569297765.db2.gz UXLUMINOBNLPDQ-QZTJIDSGSA-N 0 0 437.887 3.740 50 0 IHAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)c1 ZINC000002393743 569298106 /nfs/dbraw/zinc/29/81/06/569298106.db2.gz IGVXHOJUNKCGSG-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000002402273 569299805 /nfs/dbraw/zinc/29/98/05/569299805.db2.gz CKNGXGZNVBBRSW-ZHRRBRCNSA-N 0 0 435.476 3.843 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)CC2=O)c(OC)c1 ZINC000257199389 569301815 /nfs/dbraw/zinc/30/18/15/569301815.db2.gz FHSXSNPSRYDCDL-MGPUTAFESA-N 0 0 433.508 3.732 50 0 IHAARN CCCOc1c(Br)cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OCC ZINC000011213236 569301827 /nfs/dbraw/zinc/30/18/27/569301827.db2.gz MFGDMBVYBPQFGK-HNNXBMFYSA-N 0 0 443.363 3.602 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2N)c(OC)c1 ZINC000012979648 569305872 /nfs/dbraw/zinc/30/58/72/569305872.db2.gz PHUFGHLHGMLVJO-UHFFFAOYSA-N 0 0 441.557 3.839 50 0 IHAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012989210 569305954 /nfs/dbraw/zinc/30/59/54/569305954.db2.gz JLBIXAJGMKAXRA-FQEVSTJZSA-N 0 0 430.526 3.947 50 0 IHAARN O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1Cl ZINC000013009994 569306685 /nfs/dbraw/zinc/30/66/85/569306685.db2.gz FECQMRFUURJMIZ-UHFFFAOYSA-N 0 0 426.889 3.860 50 0 IHAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000013029255 569307342 /nfs/dbraw/zinc/30/73/42/569307342.db2.gz ZJEPLVXZHBJBNW-UHFFFAOYSA-N 0 0 445.928 3.655 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1C ZINC000013031254 569307463 /nfs/dbraw/zinc/30/74/63/569307463.db2.gz IDLVKMGABXUIAA-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C1CCCCC1 ZINC000013039081 569307847 /nfs/dbraw/zinc/30/78/47/569307847.db2.gz KSZNXJIKTBKHBW-UHFFFAOYSA-N 0 0 448.519 3.821 50 0 IHAARN CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC(=O)Nc1c(F)cccc1F ZINC000013040236 569307994 /nfs/dbraw/zinc/30/79/94/569307994.db2.gz XQGXTMXCIGGQIE-UHFFFAOYSA-N 0 0 425.863 3.834 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000013041351 569308144 /nfs/dbraw/zinc/30/81/44/569308144.db2.gz GSOABEACXNIAQE-BEFAXECRSA-N 0 0 434.533 3.621 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000013061045 569308654 /nfs/dbraw/zinc/30/86/54/569308654.db2.gz UHFZALFVEHIJKT-UHFFFAOYSA-N 0 0 439.581 3.789 50 0 IHAARN Cc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4Cl)c3)cc2=O)s1 ZINC000013367813 569314473 /nfs/dbraw/zinc/31/44/73/569314473.db2.gz NZAGJDKZDSGNAP-UHFFFAOYSA-N 0 0 426.885 3.944 50 0 IHAARN O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(Cc2ccccc2)CC1 ZINC000013398733 569315460 /nfs/dbraw/zinc/31/54/60/569315460.db2.gz VLWMEBWOHHKNCM-VOTSOKGWSA-N 0 0 429.314 3.535 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000078660876 569316731 /nfs/dbraw/zinc/31/67/31/569316731.db2.gz LWTGXGCDSLCNEG-GDBMZVCRSA-N 0 0 440.569 3.857 50 0 IHAARN Cn1cnnc1Sc1ccc(NS(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1 ZINC000328589984 569316861 /nfs/dbraw/zinc/31/68/61/569316861.db2.gz RPLRBCPUHPCKKJ-UHFFFAOYSA-N 0 0 442.488 3.970 50 0 IHAARN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000328594145 569317545 /nfs/dbraw/zinc/31/75/45/569317545.db2.gz UZXMTNSGIACXOZ-LBPRGKRZSA-N 0 0 429.342 3.634 50 0 IHAARN CC[C@](C)(NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)c1nccs1 ZINC000328596614 569318007 /nfs/dbraw/zinc/31/80/07/569318007.db2.gz ILNWQGBMQYSSHR-FQEVSTJZSA-N 0 0 432.452 3.989 50 0 IHAARN Cc1ncc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1-c1ccccc1 ZINC000078903069 569320236 /nfs/dbraw/zinc/32/02/36/569320236.db2.gz UFHWFEITVKDFOC-UHFFFAOYSA-N 0 0 434.515 3.797 50 0 IHAARN CCCc1cc(=O)oc2cc(O[C@@H]3CCN(c4sccc4C(=O)OC)C3=O)ccc12 ZINC000078950651 569320417 /nfs/dbraw/zinc/32/04/17/569320417.db2.gz CAPBUTDBLFOLMW-QGZVFWFLSA-N 0 0 427.478 3.778 50 0 IHAARN Cc1noc2ncc(S(=O)(=O)N3CCN(Cc4ccccc4)C4(CCCCC4)C3)cc12 ZINC000078967321 569320610 /nfs/dbraw/zinc/32/06/10/569320610.db2.gz KHZGSCXCFOYUFI-UHFFFAOYSA-N 0 0 440.569 3.741 50 0 IHAARN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000078988822 569321480 /nfs/dbraw/zinc/32/14/80/569321480.db2.gz HRMFKHOGRJSIJK-KGLIPLIRSA-N 0 0 429.991 3.775 50 0 IHAARN O=C(CN1CCN(C(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1C(F)(F)F ZINC000019600899 569322942 /nfs/dbraw/zinc/32/29/42/569322942.db2.gz BIZVIPLMOFFCPE-UHFFFAOYSA-N 0 0 439.865 3.684 50 0 IHAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000079045208 569323130 /nfs/dbraw/zinc/32/31/30/569323130.db2.gz XOYWSKZHRRTAAP-NRFANRHFSA-N 0 0 444.535 3.727 50 0 IHAARN Cc1cc2nc(-c3ccc(CNC(=O)Cn4c(=O)cnc5ccccc54)cc3)[nH]c2cc1C ZINC000079050830 569323423 /nfs/dbraw/zinc/32/34/23/569323423.db2.gz KWDXLRDWLXSPHE-UHFFFAOYSA-N 0 0 437.503 3.873 50 0 IHAARN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3sccc3OC(F)F)CC2)cs1 ZINC000079054004 569323563 /nfs/dbraw/zinc/32/35/63/569323563.db2.gz DWKGXHAIGKZAHF-LBPRGKRZSA-N 0 0 431.530 3.862 50 0 IHAARN O=C(NCc1cccc(CO)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000079066896 569324251 /nfs/dbraw/zinc/32/42/51/569324251.db2.gz BERKAMUUKDHDBC-UHFFFAOYSA-N 0 0 448.903 3.702 50 0 IHAARN O=C(CCCSc1ccc(Cl)cc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000079070798 569324526 /nfs/dbraw/zinc/32/45/26/569324526.db2.gz WKOUHFQHYIKPSP-UHFFFAOYSA-N 0 0 444.928 3.643 50 0 IHAARN COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)c1 ZINC000079112383 569326363 /nfs/dbraw/zinc/32/63/63/569326363.db2.gz VBTJSMAQCHKJBH-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)c1 ZINC000019796672 569329553 /nfs/dbraw/zinc/32/95/53/569329553.db2.gz ZDWLCPSDKXPJLQ-GFCCVEGCSA-N 0 0 439.493 3.823 50 0 IHAARN O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079477677 569330690 /nfs/dbraw/zinc/33/06/90/569330690.db2.gz URXVVVHDVCDMIH-MRXNPFEDSA-N 0 0 427.961 3.829 50 0 IHAARN COc1ccc(CCn2cc(C(=O)NCCc3ccccn3)c3ccccc3c2=O)cc1 ZINC000079478931 569330841 /nfs/dbraw/zinc/33/08/41/569330841.db2.gz DMWZCFCEDZWDFT-UHFFFAOYSA-N 0 0 427.504 3.620 50 0 IHAARN O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000079495358 569331422 /nfs/dbraw/zinc/33/14/22/569331422.db2.gz KHLGLBMNNGQGBA-UHFFFAOYSA-N 0 0 436.371 3.650 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117298 569335327 /nfs/dbraw/zinc/33/53/27/569335327.db2.gz VVDIYGTZBMMWTD-FGZHOGPDSA-N 0 0 440.565 3.959 50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020132900 569335428 /nfs/dbraw/zinc/33/54/28/569335428.db2.gz IBVPBNRCVXHZIQ-ROUUACIJSA-N 0 0 425.337 3.910 50 0 IHAARN O=C(NCc1ccccc1OC(F)(F)F)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390829072 569354061 /nfs/dbraw/zinc/35/40/61/569354061.db2.gz WLBLRLAJRGNALV-UHFFFAOYSA-N 0 0 428.414 3.795 50 0 IHAARN O=C(c1cc(Br)ccc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390829875 569354155 /nfs/dbraw/zinc/35/41/55/569354155.db2.gz HFPOGOIBYTXYMJ-UHFFFAOYSA-N 0 0 447.720 3.685 50 0 IHAARN COc1cccc(NC(=O)c2ccc3c(c2)ncn(-c2cc(OC)ccc2OC)c3=O)c1 ZINC000094993033 569355761 /nfs/dbraw/zinc/35/57/61/569355761.db2.gz OEUNRVCFIFJHOI-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CCN1c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242953 569358317 /nfs/dbraw/zinc/35/83/17/569358317.db2.gz NWXCXAJEDDFJRT-HZPDHXFCSA-N 0 0 426.538 3.618 50 0 IHAARN O=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 ZINC000095117320 569358429 /nfs/dbraw/zinc/35/84/29/569358429.db2.gz JLOFBRFQKBLAJN-UHFFFAOYSA-N 0 0 428.032 3.972 50 0 IHAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(Cc1ccc3c(c1)OCO3)C2 ZINC000020320022 569360212 /nfs/dbraw/zinc/36/02/12/569360212.db2.gz UQELGCJJZUVQEG-UHFFFAOYSA-N 0 0 440.887 3.952 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 ZINC000020326127 569360406 /nfs/dbraw/zinc/36/04/06/569360406.db2.gz RJDLXEHAXXENOI-HXUWFJFHSA-N 0 0 447.582 3.945 50 0 IHAARN CC1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000095350891 569362009 /nfs/dbraw/zinc/36/20/09/569362009.db2.gz AFXIMEREWATREI-SFHVURJKSA-N 0 0 436.599 3.661 50 0 IHAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)sc2c1 ZINC000020383373 569362772 /nfs/dbraw/zinc/36/27/72/569362772.db2.gz FVWQYLZIGBARHC-UHFFFAOYSA-N 0 0 439.537 3.957 50 0 IHAARN Cc1ccc(-n2c3nc(NC(=O)Nc4cccc(Cl)c4)sc3c(=O)[nH]c2=O)cc1 ZINC000020394290 569363420 /nfs/dbraw/zinc/36/34/20/569363420.db2.gz CDWHTILYZVDFDB-UHFFFAOYSA-N 0 0 427.873 3.741 50 0 IHAARN COc1ccc(-n2ccc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000095393871 569363573 /nfs/dbraw/zinc/36/35/73/569363573.db2.gz VKKNHQYVQHYCQE-SJORKVTESA-N 0 0 428.533 3.646 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000020414749 569364322 /nfs/dbraw/zinc/36/43/22/569364322.db2.gz HZVPNKZTUREFDL-LVCYWYKZSA-N 0 0 437.584 3.686 50 0 IHAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(n2ccnn2)CC1 ZINC000095431515 569366312 /nfs/dbraw/zinc/36/63/12/569366312.db2.gz DUANRKSRJKDGOF-UHFFFAOYSA-N 0 0 428.496 3.617 50 0 IHAARN Cc1nc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)ccc1[C@@H](C)O ZINC000095456475 569368853 /nfs/dbraw/zinc/36/88/53/569368853.db2.gz PPJMDNRUWFSHDS-CQSZACIVSA-N 0 0 437.500 3.822 50 0 IHAARN CC[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nc(-c2ccccc2)c[nH]1 ZINC000095460979 569369784 /nfs/dbraw/zinc/36/97/84/569369784.db2.gz KPVQOPCFRUDTKV-AWEZNQCLSA-N 0 0 430.306 3.811 50 0 IHAARN O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095476875 569373177 /nfs/dbraw/zinc/37/31/77/569373177.db2.gz AENINRMCDVYHBW-UHFFFAOYSA-N 0 0 445.972 3.832 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)[nH]n2)cc1OC ZINC000095476735 569373187 /nfs/dbraw/zinc/37/31/87/569373187.db2.gz MHCVMTNJOXJJID-UHFFFAOYSA-N 0 0 441.915 3.871 50 0 IHAARN COc1cc(-n2cc(C(=O)Nc3ccncc3)c3ccccc3c2=O)cc(OC)c1OC ZINC000095476956 569373256 /nfs/dbraw/zinc/37/32/56/569373256.db2.gz IHHNWXSPXQLXMC-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1cc(-n2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)cc(OC)c1OC ZINC000095479876 569373809 /nfs/dbraw/zinc/37/38/09/569373809.db2.gz JHBLTSONGPZTAM-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CN1c2cccnc2Oc2ccc(NC(=O)c3cncc(Br)c3)cc2C1=O ZINC000095480529 569373913 /nfs/dbraw/zinc/37/39/13/569373913.db2.gz VZKQIJURNNALOW-UHFFFAOYSA-N 0 0 425.242 3.874 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)S1 ZINC000020895854 569374969 /nfs/dbraw/zinc/37/49/69/569374969.db2.gz KIAZDIGTKJYMJT-KRWDZBQOSA-N 0 0 435.864 3.699 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)NC[C@H](O)Cc3ccc(F)cc3F)s2)cc1OC ZINC000095940347 569375389 /nfs/dbraw/zinc/37/53/89/569375389.db2.gz FQDWRCSMAARDKS-MRXNPFEDSA-N 0 0 448.491 3.747 50 0 IHAARN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 ZINC000095943413 569375671 /nfs/dbraw/zinc/37/56/71/569375671.db2.gz PHWMCRHVSSYRAZ-IBGZPJMESA-N 0 0 425.323 3.628 50 0 IHAARN O=S(=O)(c1cccs1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948968 569376547 /nfs/dbraw/zinc/37/65/47/569376547.db2.gz XUTMHHUJBVMTRH-UHFFFAOYSA-N 0 0 442.488 3.611 50 0 IHAARN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000095957497 569376954 /nfs/dbraw/zinc/37/69/54/569376954.db2.gz XVYDOGJGHFSOTN-AEFFLSMTSA-N 0 0 430.570 3.968 50 0 IHAARN C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000095972135 569377447 /nfs/dbraw/zinc/37/74/47/569377447.db2.gz BOPIVHZRDNIXGN-GAJHUEQPSA-N 0 0 428.960 3.750 50 0 IHAARN C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000095972134 569377492 /nfs/dbraw/zinc/37/74/92/569377492.db2.gz BOPIVHZRDNIXGN-HXOBKFHXSA-N 0 0 428.960 3.750 50 0 IHAARN Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H](CNC(=O)c3ccncc3Cl)C2)c1 ZINC000095973386 569377496 /nfs/dbraw/zinc/37/74/96/569377496.db2.gz LUTKTVVYULYOIT-SFHVURJKSA-N 0 0 429.948 3.789 50 0 IHAARN Cc1cccc(-c2noc(SCC(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2)c1 ZINC000095993697 569378501 /nfs/dbraw/zinc/37/85/01/569378501.db2.gz IMPPEZDDMHEXQD-INIZCTEOSA-N 0 0 432.546 3.605 50 0 IHAARN O=C([N-]C1(C(=O)Nc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997647 569379050 /nfs/dbraw/zinc/37/90/50/569379050.db2.gz IVARJRCTAJYGKL-UHFFFAOYSA-N 0 0 439.865 3.992 50 0 IHAARN Cc1nc(CN2CCC(C(=O)OCc3cn(-c4ccc(Cl)cc4)nn3)CC2)cs1 ZINC000096004188 569379155 /nfs/dbraw/zinc/37/91/55/569379155.db2.gz AQSBMJQBSSAVAK-UHFFFAOYSA-N 0 0 431.949 3.641 50 0 IHAARN O=C(CN1c2ccccc2CCCC1=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000096008125 569379578 /nfs/dbraw/zinc/37/95/78/569379578.db2.gz YEUWYAUYCQQFLP-HXUWFJFHSA-N 0 0 432.442 3.975 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC=C(c3cncc4ccccc43)CC2)cc1 ZINC000096012872 569380207 /nfs/dbraw/zinc/38/02/07/569380207.db2.gz HZBBSDDGLLYUPC-SFHVURJKSA-N 0 0 429.520 3.815 50 0 IHAARN O=C(c1ccccc1Br)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099468 569381560 /nfs/dbraw/zinc/38/15/60/569381560.db2.gz OOQMAAVRTUKAAS-UHFFFAOYSA-N 0 0 426.307 3.667 50 0 IHAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115637 569383266 /nfs/dbraw/zinc/38/32/66/569383266.db2.gz JIJYTRYAFQRIFH-OAHLLOKOSA-N 0 0 439.427 3.952 50 0 biogenic IHAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4CC(C)C)c3)C2=O)cc1 ZINC000096115397 569383268 /nfs/dbraw/zinc/38/32/68/569383268.db2.gz DYAGZFILGZDRFP-NRFANRHFSA-N 0 0 448.523 3.755 50 0 biogenic IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116693 569383745 /nfs/dbraw/zinc/38/37/45/569383745.db2.gz HQCVEUCMFQVRRG-LIRRHRJNSA-N 0 0 445.541 3.972 50 0 IHAARN CSCC[C@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)c1nnc2ccccn21 ZINC000096117276 569384112 /nfs/dbraw/zinc/38/41/12/569384112.db2.gz QWJWKJAZSGZWKO-SFHVURJKSA-N 0 0 438.532 3.720 50 0 IHAARN COc1ccc2cc([C@H]3CC(=O)Nc4ccc5nn(-c6ccccc6)nc5c43)c(=O)[nH]c2c1 ZINC000096117500 569384145 /nfs/dbraw/zinc/38/41/45/569384145.db2.gz NRPQHQAVESERIP-QGZVFWFLSA-N 0 0 437.459 3.745 50 0 IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117731 569384254 /nfs/dbraw/zinc/38/42/54/569384254.db2.gz DNDPYEHOIXWJFG-ACJLOTCBSA-N 0 0 433.530 3.915 50 0 IHAARN O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000096119184 569384689 /nfs/dbraw/zinc/38/46/89/569384689.db2.gz WGALYBOOAQQBKE-UHFFFAOYSA-N 0 0 449.882 3.552 50 0 IHAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122090 569385161 /nfs/dbraw/zinc/38/51/61/569385161.db2.gz MLGCLQUIRVPBBE-UHFFFAOYSA-N 0 0 443.496 3.969 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](c3nc4ccncc4n3CC(C)C)C2)cc1 ZINC000096125413 569385615 /nfs/dbraw/zinc/38/56/15/569385615.db2.gz CHWPLLRZYYEZHO-KRWDZBQOSA-N 0 0 428.558 3.664 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](Cc2nc3cccnc3n2C(C)C)C1 ZINC000096124983 569385626 /nfs/dbraw/zinc/38/56/26/569385626.db2.gz LWCSUHPOKRIYTH-HNNXBMFYSA-N 0 0 448.976 3.928 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](Cc3nc4cccnc4n3CC(C)C)C2)cc1 ZINC000096125017 569385663 /nfs/dbraw/zinc/38/56/63/569385663.db2.gz IMWRDKLEZOKKPR-GOSISDBHSA-N 0 0 442.585 3.739 50 0 IHAARN CC(C)Cn1nc(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc2c1=O ZINC000096232385 569387728 /nfs/dbraw/zinc/38/77/28/569387728.db2.gz VLASAOWXBYAFFN-QHCPKHFHSA-N 0 0 431.540 3.985 50 0 IHAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(CC(=O)Nc2ccc(F)cc2)C(=O)CO3)c1 ZINC000096280330 569389571 /nfs/dbraw/zinc/38/95/71/569389571.db2.gz PRAYOJVLOGHCLU-UHFFFAOYSA-N 0 0 448.450 3.760 50 0 IHAARN CCc1nc([C@@H](C)CC)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1ccccc1F ZINC000096317214 569393188 /nfs/dbraw/zinc/39/31/88/569393188.db2.gz ZWMGJVPKCKLMJD-KRWDZBQOSA-N 0 0 448.608 3.754 50 0 IHAARN COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000096318395 569393822 /nfs/dbraw/zinc/39/38/22/569393822.db2.gz QFMHRVBGXLOINA-UHFFFAOYSA-N 0 0 434.515 3.794 50 0 IHAARN COc1cccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)c1 ZINC000096322029 569394298 /nfs/dbraw/zinc/39/42/98/569394298.db2.gz HXCZMVMXHKZCQB-UHFFFAOYSA-N 0 0 427.526 3.757 50 0 IHAARN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCc1ccccc1 ZINC000096322315 569394544 /nfs/dbraw/zinc/39/45/44/569394544.db2.gz STKNZOFUEZRTLX-UHFFFAOYSA-N 0 0 430.899 3.946 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)cc1 ZINC000096322564 569394749 /nfs/dbraw/zinc/39/47/49/569394749.db2.gz DISBFXOTJFMOTE-UHFFFAOYSA-N 0 0 440.507 3.629 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5ccc(Cl)cc5)c(=O)n4ccn3n2)c1 ZINC000096322577 569394818 /nfs/dbraw/zinc/39/48/18/569394818.db2.gz XKJURFGKHJKNHP-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1F ZINC000096331496 569396425 /nfs/dbraw/zinc/39/64/25/569396425.db2.gz PWLPTUSZIBTTAY-UHFFFAOYSA-N 0 0 435.434 3.922 50 0 IHAARN O=C(CN1CCc2nc(NC(=O)c3ccsc3)sc2C1)Nc1ccc(F)cc1F ZINC000096334111 569396558 /nfs/dbraw/zinc/39/65/58/569396558.db2.gz ASGLSTWOCXWJKL-UHFFFAOYSA-N 0 0 434.493 3.732 50 0 IHAARN CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000096374787 569398151 /nfs/dbraw/zinc/39/81/51/569398151.db2.gz JDFDCFXNYGQOAR-UHFFFAOYSA-N 0 0 447.928 3.583 50 0 IHAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4cccc(OC)c4)cc3)C2)cc1 ZINC000096377901 569398183 /nfs/dbraw/zinc/39/81/83/569398183.db2.gz BGHPTKDQWANCES-UHFFFAOYSA-N 0 0 437.517 3.669 50 0 IHAARN COc1ccc([C@H](C)NC(=O)Cn2c3cccnc3n(C3CCCCC3)c2=O)cc1OC ZINC000096385914 569398349 /nfs/dbraw/zinc/39/83/49/569398349.db2.gz CFZMTEQUSXAVHL-INIZCTEOSA-N 0 0 438.528 3.598 50 0 IHAARN COc1ccccc1CNC(=O)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386428 569398555 /nfs/dbraw/zinc/39/85/55/569398555.db2.gz HVVVSUDPXQATRL-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN Cc1oc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096396960 569399244 /nfs/dbraw/zinc/39/92/44/569399244.db2.gz IVKNUOJVTPGYNJ-UHFFFAOYSA-N 0 0 439.556 3.773 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000096398493 569399679 /nfs/dbraw/zinc/39/96/79/569399679.db2.gz MOJKPIAGPRLKKZ-KRWDZBQOSA-N 0 0 443.588 3.823 50 0 IHAARN COc1ccccc1CCC(=O)Nc1n[nH]c(C)c1-c1cc(OC)c(OC)c(OC)c1 ZINC000096398939 569399830 /nfs/dbraw/zinc/39/98/30/569399830.db2.gz NUQHDVZLJLEXLP-UHFFFAOYSA-N 0 0 425.485 3.991 50 0 IHAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CNc3ccc(OC)cc3OC)C2=O)c1 ZINC000334162967 569402225 /nfs/dbraw/zinc/40/22/25/569402225.db2.gz KGOTZTUAPJWOTC-GRSHGNNSSA-N 0 0 430.482 3.827 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000096619950 569402360 /nfs/dbraw/zinc/40/23/60/569402360.db2.gz QSYRLCPBBTYINR-GMAFFVFYSA-N 0 0 436.581 3.754 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000097097809 569403106 /nfs/dbraw/zinc/40/31/06/569403106.db2.gz QPYHZRQQVUVSCE-INIZCTEOSA-N 0 0 440.550 3.804 50 0 IHAARN O=C(CCSc1ccccc1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 ZINC000225546018 569404033 /nfs/dbraw/zinc/40/40/33/569404033.db2.gz LVMGMJGSDKCLQP-UHFFFAOYSA-N 0 0 428.583 3.586 50 0 IHAARN O=C(Cc1noc2ccccc12)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561298 569404506 /nfs/dbraw/zinc/40/45/06/569404506.db2.gz ABMWKQJRIKXKST-UHFFFAOYSA-N 0 0 447.470 3.891 50 0 IHAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)CN(C)CC5)cc3)nc12 ZINC000027989011 569405600 /nfs/dbraw/zinc/40/56/00/569405600.db2.gz NCFMCGNGJWLGNP-UHFFFAOYSA-N 0 0 433.537 3.918 50 0 IHAARN Cn1c(CS(=O)(=O)c2ccc(Cl)cc2)c(Br)c(=O)n1-c1ccccc1 ZINC000002504518 569406172 /nfs/dbraw/zinc/40/61/72/569406172.db2.gz DXQGHSHOGUAZDC-UHFFFAOYSA-N 0 0 441.734 3.566 50 0 IHAARN CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 ZINC000002504233 569406244 /nfs/dbraw/zinc/40/62/44/569406244.db2.gz UDNNMKZSAGOAPF-IRXDYDNUSA-N 0 0 428.282 3.663 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)cc1 ZINC000225684474 569406969 /nfs/dbraw/zinc/40/69/69/569406969.db2.gz AMVZUXNTBJHTEM-AWEZNQCLSA-N 0 0 438.571 3.770 50 0 IHAARN O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225730133 569407568 /nfs/dbraw/zinc/40/75/68/569407568.db2.gz MPXQGJJSZBCMOF-ZZXKWVIFSA-N 0 0 441.251 3.620 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)[nH]n2)c1 ZINC000225734195 569407666 /nfs/dbraw/zinc/40/76/66/569407666.db2.gz OOUHEYJVKJDDBQ-UHFFFAOYSA-N 0 0 444.461 3.773 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 ZINC000002623120 569411273 /nfs/dbraw/zinc/41/12/73/569411273.db2.gz JLCPDWDTAQKCNL-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@H](C)O1 ZINC000215685119 569412071 /nfs/dbraw/zinc/41/20/71/569412071.db2.gz SJYOMKDOCATNDX-ISTVAULSSA-N 0 0 433.382 3.753 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000002634842 569412727 /nfs/dbraw/zinc/41/27/27/569412727.db2.gz JIJVETBAQJOJCH-FQEVSTJZSA-N 0 0 426.513 3.638 50 0 IHAARN Cc1cc(C(=O)CSc2nnc3nc(C)cc(C)n32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002646480 569414320 /nfs/dbraw/zinc/41/43/20/569414320.db2.gz CYJLYGKCXSPBEU-UHFFFAOYSA-N 0 0 449.536 3.911 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000002655243 569415407 /nfs/dbraw/zinc/41/54/07/569415407.db2.gz CUVACGJGOFUUGV-UHFFFAOYSA-N 0 0 439.493 3.707 50 0 IHAARN COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)Nc2nccs2)c1 ZINC000002655903 569415437 /nfs/dbraw/zinc/41/54/37/569415437.db2.gz SUZASICSFXMBOH-UHFFFAOYSA-N 0 0 438.509 3.786 50 0 IHAARN CCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000230009057 569417283 /nfs/dbraw/zinc/41/72/83/569417283.db2.gz AUOVLTAQTPUHOW-FNVCAUGXSA-N 0 0 445.537 3.633 50 0 biogenic IHAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002708603 569417602 /nfs/dbraw/zinc/41/76/02/569417602.db2.gz FAKGIBNWUMBTPK-ROUUACIJSA-N 0 0 449.989 3.698 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCC[C@@H]5CCCC[C@H]54)C3=O)ccc2c1 ZINC000230025605 569417796 /nfs/dbraw/zinc/41/77/96/569417796.db2.gz VIDLKWSEZOTMTO-RRFXTLBOSA-N 0 0 449.551 3.797 50 0 IHAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000002726650 569418638 /nfs/dbraw/zinc/41/86/38/569418638.db2.gz XMIRSNCEGCALHU-LJQANCHMSA-N 0 0 439.581 3.587 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccccc1OC ZINC000028725133 569418848 /nfs/dbraw/zinc/41/88/48/569418848.db2.gz QAEKAPNDMWDVJM-OAQYLSRUSA-N 0 0 440.521 3.739 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1OC ZINC000028725135 569418925 /nfs/dbraw/zinc/41/89/25/569418925.db2.gz QAEKAPNDMWDVJM-NRFANRHFSA-N 0 0 440.521 3.739 50 0 IHAARN COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c2c1C ZINC000002791379 569421778 /nfs/dbraw/zinc/42/17/78/569421778.db2.gz ZJXGMUYILICUOK-UHFFFAOYSA-N 0 0 428.861 3.592 50 0 IHAARN CCn1cnc2sc(C(=O)Nc3ccc(I)cc3)c(C)c2c1=O ZINC000002910842 569424872 /nfs/dbraw/zinc/42/48/72/569424872.db2.gz ZIYPHVBFKUALJG-UHFFFAOYSA-N 0 0 439.278 3.643 50 0 IHAARN COc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC ZINC000002914224 569424990 /nfs/dbraw/zinc/42/49/90/569424990.db2.gz XREUNLFAODWNKC-HUUCEWRRSA-N 0 0 446.305 3.608 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccc(C)cc2)cc1 ZINC000002927295 569425867 /nfs/dbraw/zinc/42/58/67/569425867.db2.gz ARKMTESYBULEAN-UHFFFAOYSA-N 0 0 448.552 3.974 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 ZINC000002927346 569425870 /nfs/dbraw/zinc/42/58/70/569425870.db2.gz IRIORZFQAWBTPY-UHFFFAOYSA-N 0 0 434.525 3.584 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c1C ZINC000002928477 569425889 /nfs/dbraw/zinc/42/58/89/569425889.db2.gz PUEBBLOKTHECAB-LJQANCHMSA-N 0 0 434.492 3.596 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(C)c2)cc1 ZINC000002927322 569425913 /nfs/dbraw/zinc/42/59/13/569425913.db2.gz FGDWSTGJIIGIFS-UHFFFAOYSA-N 0 0 448.552 3.974 50 0 IHAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000002938334 569426369 /nfs/dbraw/zinc/42/63/69/569426369.db2.gz IOJGNVPIDGLTJJ-UHFFFAOYSA-N 0 0 434.602 3.787 50 0 IHAARN COc1ccc([C@H](CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002938776 569426566 /nfs/dbraw/zinc/42/65/66/569426566.db2.gz RTVFPLVWQWCLNW-FQEVSTJZSA-N 0 0 448.928 3.668 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC000056945909 569428150 /nfs/dbraw/zinc/42/81/50/569428150.db2.gz FFBNHBKMPQIDRU-OAQYLSRUSA-N 0 0 429.442 3.990 50 0 IHAARN CC[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002962061 569432785 /nfs/dbraw/zinc/43/27/85/569432785.db2.gz OTYAHJDJTDGBAK-OAHLLOKOSA-N 0 0 439.375 3.868 50 0 IHAARN COCCn1c2ccccc2nc1SCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000029599840 569431582 /nfs/dbraw/zinc/43/15/82/569431582.db2.gz GKAPKZLDDHLXGC-IBGZPJMESA-N 0 0 438.597 3.680 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCC[C@@H](C)C1)[C@H](c1cccs1)N(C)C2=O ZINC000230070840 569433156 /nfs/dbraw/zinc/43/31/56/569433156.db2.gz HYADHBUNLOWEPW-OREJSRFESA-N 0 0 428.554 3.934 50 0 IHAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000057425078 569434391 /nfs/dbraw/zinc/43/43/91/569434391.db2.gz FTONAPMJWXCESR-UHFFFAOYSA-N 0 0 437.930 3.649 50 0 IHAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000057426060 569434523 /nfs/dbraw/zinc/43/45/23/569434523.db2.gz YXSZTYLIONIZAQ-UHFFFAOYSA-N 0 0 445.566 3.641 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@@H]2CCCO2)cc1C ZINC000057426332 569434546 /nfs/dbraw/zinc/43/45/46/569434546.db2.gz TXLZLJWQUMSVBK-KRWDZBQOSA-N 0 0 443.594 3.510 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000057426762 569434681 /nfs/dbraw/zinc/43/46/81/569434681.db2.gz WDWFWMZRZIUVBE-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1C ZINC000057427048 569434725 /nfs/dbraw/zinc/43/47/25/569434725.db2.gz BQSIEHKIJGSLSL-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000057427331 569434800 /nfs/dbraw/zinc/43/48/00/569434800.db2.gz PCLRTLBYAQVHCK-UHFFFAOYSA-N 0 0 425.432 3.682 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)c1ccccc1 ZINC000057428984 569434972 /nfs/dbraw/zinc/43/49/72/569434972.db2.gz CGPMCBHKDSBQLH-UHFFFAOYSA-N 0 0 441.459 3.545 50 0 IHAARN CCOC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1Cc1ccccc1 ZINC000003010444 569435403 /nfs/dbraw/zinc/43/54/03/569435403.db2.gz XNFPPBWZRKFQEW-UHFFFAOYSA-N 0 0 446.550 3.647 50 0 IHAARN O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000057472969 569435677 /nfs/dbraw/zinc/43/56/77/569435677.db2.gz GTJRGTXRKOZAGN-UHFFFAOYSA-N 0 0 437.858 3.643 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478347 569435850 /nfs/dbraw/zinc/43/58/50/569435850.db2.gz JCEWNOFOHDFXEU-NRFANRHFSA-N 0 0 425.916 3.569 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478345 569435896 /nfs/dbraw/zinc/43/58/96/569435896.db2.gz JCEWNOFOHDFXEU-OAQYLSRUSA-N 0 0 425.916 3.569 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1 ZINC000003022831 569436040 /nfs/dbraw/zinc/43/60/40/569436040.db2.gz YEVJZVHWRDMJTN-UHFFFAOYSA-N 0 0 428.485 3.955 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)no1 ZINC000057488986 569437016 /nfs/dbraw/zinc/43/70/16/569437016.db2.gz PDOHETGADMWVPD-UHFFFAOYSA-N 0 0 432.552 3.789 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O ZINC000057489782 569437114 /nfs/dbraw/zinc/43/71/14/569437114.db2.gz CXMYCVPYQNCABU-GOSISDBHSA-N 0 0 447.560 3.660 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1C ZINC000057491203 569437331 /nfs/dbraw/zinc/43/73/31/569437331.db2.gz UHWUCMOXSWQOLZ-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)C1CCCCC1 ZINC000057491851 569437340 /nfs/dbraw/zinc/43/73/40/569437340.db2.gz PFRGVPIXBKIBIH-UHFFFAOYSA-N 0 0 431.945 3.658 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1F ZINC000057491506 569437342 /nfs/dbraw/zinc/43/73/42/569437342.db2.gz HZKGHVQDKXUOCN-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1ccccc1F ZINC000057491494 569437374 /nfs/dbraw/zinc/43/73/74/569437374.db2.gz KCCBXGZEOYHKAX-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)cc1 ZINC000057493265 569437578 /nfs/dbraw/zinc/43/75/78/569437578.db2.gz MRAJPSDRUZJJQS-UHFFFAOYSA-N 0 0 437.496 3.863 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3cccc(C)c3)c2=O)c(C)c1 ZINC000057493120 569437591 /nfs/dbraw/zinc/43/75/91/569437591.db2.gz WJMDPKPGMDUULW-UHFFFAOYSA-N 0 0 433.533 3.802 50 0 IHAARN COc1cccc(CNC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)c1 ZINC000003035022 569437873 /nfs/dbraw/zinc/43/78/73/569437873.db2.gz URPJTRQSRQOPFY-UHFFFAOYSA-N 0 0 439.606 3.950 50 0 IHAARN C=CC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000216938644 569437944 /nfs/dbraw/zinc/43/79/44/569437944.db2.gz PIZIVIMVYXSLIA-UHFFFAOYSA-N 0 0 426.476 3.968 50 0 IHAARN O=C(Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O)Nc1ccccc1 ZINC000057503363 569438087 /nfs/dbraw/zinc/43/80/87/569438087.db2.gz UJDKSBVHCBHZMT-UHFFFAOYSA-N 0 0 446.854 3.505 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1Nc1ccc(F)c(C)c1 ZINC000057507687 569438298 /nfs/dbraw/zinc/43/82/98/569438298.db2.gz VNBCFQLEJSKESM-UHFFFAOYSA-N 0 0 438.459 3.558 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000003042249 569438509 /nfs/dbraw/zinc/43/85/09/569438509.db2.gz CGCDYBYFQQTBBL-INIZCTEOSA-N 0 0 429.476 3.957 50 0 IHAARN CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000057525797 569439105 /nfs/dbraw/zinc/43/91/05/569439105.db2.gz KWSNWENPDGFZOO-UHFFFAOYSA-N 0 0 433.430 3.867 50 0 IHAARN CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000057525850 569439109 /nfs/dbraw/zinc/43/91/09/569439109.db2.gz WEHHVKHHFLCFNZ-UHFFFAOYSA-N 0 0 433.430 3.867 50 0 IHAARN CN(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 ZINC000003059139 569439395 /nfs/dbraw/zinc/43/93/95/569439395.db2.gz KQLJKJHRKUGEPQ-UHFFFAOYSA-N 0 0 440.550 3.896 50 0 IHAARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccc(O)cc1)C(Cl)(Cl)Cl ZINC000003091960 569440055 /nfs/dbraw/zinc/44/00/55/569440055.db2.gz OPWAUJHLCIHTDA-HNNXBMFYSA-N 0 0 432.760 3.734 50 0 IHAARN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN[C@H](C(N)=O)C3)c2c1C ZINC000057607774 569440122 /nfs/dbraw/zinc/44/01/22/569440122.db2.gz PDRIIYYOEKQFKS-HNNXBMFYSA-N 0 0 448.017 3.517 50 0 IHAARN O=C(CF)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003136763 569440796 /nfs/dbraw/zinc/44/07/96/569440796.db2.gz DVTYFNKWYBFUSJ-SECBINFHSA-N 0 0 437.549 3.518 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)NCCOc4ccc(F)cc4)CC3)c2c1C ZINC000030131556 569440845 /nfs/dbraw/zinc/44/08/45/569440845.db2.gz JEEGPTLIYOYNMZ-UHFFFAOYSA-N 0 0 428.533 3.859 50 0 IHAARN S=c1n(CN2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000057683621 569440947 /nfs/dbraw/zinc/44/09/47/569440947.db2.gz QTCLYRZHSBAAMF-UHFFFAOYSA-N 0 0 429.553 3.640 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)c3ccccc3OC[C@H]3CCCO3)cc(=O)oc2c1 ZINC000057722478 569441021 /nfs/dbraw/zinc/44/10/21/569441021.db2.gz OJGDICIAWFAIPB-GOSISDBHSA-N 0 0 437.448 3.666 50 0 IHAARN COc1ccccc1N1CCN(Cn2nc([C@@H]3COc4ccccc4O3)oc2=S)CC1 ZINC000057733749 569441142 /nfs/dbraw/zinc/44/11/42/569441142.db2.gz KGUJKJRYNOUTAI-FQEVSTJZSA-N 0 0 440.525 3.506 50 0 IHAARN C[C@@H](C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1 ZINC000057769961 569441404 /nfs/dbraw/zinc/44/14/04/569441404.db2.gz UQLBQMLXTBXJJZ-NRFANRHFSA-N 0 0 434.609 3.925 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000003215919 569441855 /nfs/dbraw/zinc/44/18/55/569441855.db2.gz QQGSSBZUERTKGV-UHFFFAOYSA-N 0 0 438.505 3.941 50 0 IHAARN Cc1cccc(N2CCN(CC(=O)Nc3ccc(I)cc3)CC2)c1C ZINC000057851800 569441948 /nfs/dbraw/zinc/44/19/48/569441948.db2.gz SAFSRTVQVIOUMS-UHFFFAOYSA-N 0 0 449.336 3.669 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000003220450 569441971 /nfs/dbraw/zinc/44/19/71/569441971.db2.gz LDQOGOYTPVJBDI-ZDUSSCGKSA-N 0 0 442.924 3.806 50 0 IHAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000057845224 569441997 /nfs/dbraw/zinc/44/19/97/569441997.db2.gz AYSCCIMYAWHSHB-KRWDZBQOSA-N 0 0 426.948 3.616 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000003224121 569442073 /nfs/dbraw/zinc/44/20/73/569442073.db2.gz MJMCYCRURMKAOI-CVDCTZTESA-N 0 0 442.515 3.549 50 0 IHAARN CCN(c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc1)C(C)C ZINC000003245505 569442744 /nfs/dbraw/zinc/44/27/44/569442744.db2.gz WBXAHPFHXHIJLY-UHFFFAOYSA-N 0 0 430.501 3.743 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc12 ZINC000003286561 569444146 /nfs/dbraw/zinc/44/41/46/569444146.db2.gz OFSZYOWAYSRGQC-UHFFFAOYSA-N 0 0 448.932 3.830 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(Br)o1 ZINC000003287952 569444196 /nfs/dbraw/zinc/44/41/96/569444196.db2.gz MRXPSWUGMCFXRE-UHFFFAOYSA-N 0 0 430.276 3.693 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000003290892 569444438 /nfs/dbraw/zinc/44/44/38/569444438.db2.gz XMEATHGEJVEMEL-UHFFFAOYSA-N 0 0 444.553 3.664 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(NC3CCCCC3)s2)cc1 ZINC000003302257 569445088 /nfs/dbraw/zinc/44/50/88/569445088.db2.gz GIVPJFNTEGTWLC-UHFFFAOYSA-N 0 0 433.603 3.780 50 0 IHAARN O=C(COC(=O)c1c(Cl)nc2sccn21)Nc1ccc(Br)cc1F ZINC000003304128 569445176 /nfs/dbraw/zinc/44/51/76/569445176.db2.gz KZNVCDUCOVLLPY-UHFFFAOYSA-N 0 0 432.658 3.746 50 0 IHAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003304450 569445179 /nfs/dbraw/zinc/44/51/79/569445179.db2.gz IEENXTIIWAGEBJ-UHFFFAOYSA-N 0 0 436.533 3.551 50 0 IHAARN COc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000003308665 569445359 /nfs/dbraw/zinc/44/53/59/569445359.db2.gz GANFHRONATZVKG-UHFFFAOYSA-N 0 0 442.295 3.535 50 0 IHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O ZINC000003309872 569445377 /nfs/dbraw/zinc/44/53/77/569445377.db2.gz SYMUDEQQGWTNCZ-RUZDIDTESA-N 0 0 429.476 3.671 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCCC[C@@H]2C)c1 ZINC000003311935 569445529 /nfs/dbraw/zinc/44/55/29/569445529.db2.gz VQRXZGSODLPZEP-SFHVURJKSA-N 0 0 445.537 3.629 50 0 IHAARN Cc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)c(Br)c1 ZINC000003318225 569445796 /nfs/dbraw/zinc/44/57/96/569445796.db2.gz MTSMNNWPSMBQHQ-UHFFFAOYSA-N 0 0 438.285 3.904 50 0 IHAARN COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000058049075 569445955 /nfs/dbraw/zinc/44/59/55/569445955.db2.gz MHMMDBMUVREQPG-HNNXBMFYSA-N 0 0 432.723 3.604 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(N)=O ZINC000003365082 569448124 /nfs/dbraw/zinc/44/81/24/569448124.db2.gz CFHAQFFPZGMMJP-CYBMUJFWSA-N 0 0 431.359 3.916 50 0 IHAARN CCOc1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cn2N)cc1OCC ZINC000003376183 569448601 /nfs/dbraw/zinc/44/86/01/569448601.db2.gz BYPSSYAOARZVFF-UHFFFAOYSA-N 0 0 440.569 3.512 50 0 IHAARN CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(c1ccccc1)c1ccccc1 ZINC000003377003 569448682 /nfs/dbraw/zinc/44/86/82/569448682.db2.gz BWJDWJFQSRSOBG-HHHXNRCGSA-N 0 0 439.515 3.628 50 0 IHAARN CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cc(F)ccc1F ZINC000058172748 569449651 /nfs/dbraw/zinc/44/96/51/569449651.db2.gz BZSPNNIZTNGGCT-UHFFFAOYSA-N 0 0 434.508 3.517 50 0 IHAARN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003420268 569450356 /nfs/dbraw/zinc/45/03/56/569450356.db2.gz JJDVPRAUUHACSP-UHFFFAOYSA-N 0 0 434.416 3.635 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC ZINC000003447621 569451465 /nfs/dbraw/zinc/45/14/65/569451465.db2.gz ULSGLXIIAIBIHR-INIZCTEOSA-N 0 0 439.537 3.652 50 0 IHAARN CC(C)(C)c1nnc2sc(SCCOc3ccc(Br)cc3)nn2c1=O ZINC000003447450 569451466 /nfs/dbraw/zinc/45/14/66/569451466.db2.gz BLJAOZCHRQHVRU-UHFFFAOYSA-N 0 0 441.376 3.777 50 0 IHAARN COCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000003454515 569451698 /nfs/dbraw/zinc/45/16/98/569451698.db2.gz NLVFYKAYBUQDBE-UHFFFAOYSA-N 0 0 438.336 3.547 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)COc3ccc(OCC)cc3)cc(=O)oc2c1 ZINC000003452581 569451726 /nfs/dbraw/zinc/45/17/26/569451726.db2.gz UJPJVOALNQZDPW-UHFFFAOYSA-N 0 0 441.436 3.882 50 0 IHAARN CN(C(=O)COc1ccc2occ(-c3cc4ccccc4o3)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000217705424 569451972 /nfs/dbraw/zinc/45/19/72/569451972.db2.gz FHRMTNPHTGCTCP-INIZCTEOSA-N 0 0 439.489 3.870 50 0 biogenic IHAARN CCOc1cc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc(OCC)c1OCC ZINC000030982060 569452078 /nfs/dbraw/zinc/45/20/78/569452078.db2.gz DODMMWVXJLHSBV-UHFFFAOYSA-N 0 0 444.513 3.686 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000030997947 569452192 /nfs/dbraw/zinc/45/21/92/569452192.db2.gz IKTDSMKTFSHTJQ-UHFFFAOYSA-N 0 0 446.619 3.963 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000003491683 569452586 /nfs/dbraw/zinc/45/25/86/569452586.db2.gz CIMZLBCLLHETFS-UHFFFAOYSA-N 0 0 433.921 3.681 50 0 IHAARN O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000003520026 569453146 /nfs/dbraw/zinc/45/31/46/569453146.db2.gz YPNQTVCJOPJZKS-UHFFFAOYSA-N 0 0 447.907 3.894 50 0 IHAARN O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000058370041 569453747 /nfs/dbraw/zinc/45/37/47/569453747.db2.gz UIBJNXYMLILMKW-KRWDZBQOSA-N 0 0 427.551 3.850 50 0 IHAARN Cc1nccc(-c2cccc(NC(=O)[C@@H](NS(=O)(=O)c3ccccc3F)C(C)C)c2)n1 ZINC000031121956 569453796 /nfs/dbraw/zinc/45/37/96/569453796.db2.gz IHQREWSVOSOOOQ-NRFANRHFSA-N 0 0 442.516 3.533 50 0 IHAARN O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003550642 569453816 /nfs/dbraw/zinc/45/38/16/569453816.db2.gz ZVYPWEWYRBAORB-UHFFFAOYSA-N 0 0 437.473 3.826 50 0 IHAARN CN(C)c1nc2cc(C(=O)NC[C@H]3CCCO3)sc2n1-c1ccc(Br)cc1 ZINC000058393322 569454148 /nfs/dbraw/zinc/45/41/48/569454148.db2.gz DWGAXWFBGNNQDX-CQSZACIVSA-N 0 0 449.374 3.824 50 0 IHAARN Cc1cccc([C@H](CNC(=O)NCc2cccnc2OC2CCCC2)N2CCOCC2)c1 ZINC000031193215 569454684 /nfs/dbraw/zinc/45/46/84/569454684.db2.gz OLOBMKCVYVEXJW-QHCPKHFHSA-N 0 0 438.572 3.584 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000003610715 569454952 /nfs/dbraw/zinc/45/49/52/569454952.db2.gz RDIMAQMULLHADV-QHCPKHFHSA-N 0 0 437.883 3.908 50 0 IHAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccc(C)cc3C)C2=O)c1 ZINC000003659344 569455848 /nfs/dbraw/zinc/45/58/48/569455848.db2.gz KZMFDHQUBNRVCU-STZFKDTASA-N 0 0 428.492 3.934 50 0 IHAARN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O ZINC000031390617 569456230 /nfs/dbraw/zinc/45/62/30/569456230.db2.gz SUIUKDOCRYHHKO-IFXJQAMLSA-N 0 0 441.578 3.984 50 0 IHAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031391349 569456276 /nfs/dbraw/zinc/45/62/76/569456276.db2.gz GMUOAYGKDNJGQJ-HXUWFJFHSA-N 0 0 446.532 3.909 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)cc1OC(C)C ZINC000031811142 569457680 /nfs/dbraw/zinc/45/76/80/569457680.db2.gz GTXODVHFYJKLHE-AWEZNQCLSA-N 0 0 433.472 3.766 50 0 IHAARN COc1cc2c(cc1OC)C(=O)[C@H](Sc1nc(=O)c3c4c(sc3[nH]1)CCCC4)C2 ZINC000031814412 569457887 /nfs/dbraw/zinc/45/78/87/569457887.db2.gz TWDZNXLQYQHOPW-MRXNPFEDSA-N 0 0 428.535 3.780 50 0 IHAARN CC[C@@](C)(CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCOCC1 ZINC000031927482 569458431 /nfs/dbraw/zinc/45/84/31/569458431.db2.gz PVYMMUPBFBFILA-VWLOTQADSA-N 0 0 442.556 3.514 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@H]1c1cccnc1 ZINC000031942071 569458504 /nfs/dbraw/zinc/45/85/04/569458504.db2.gz IHDWMBWAQDTWKT-DEOSSOPVSA-N 0 0 449.576 3.999 50 0 IHAARN O=c1ccn([C@H]2C=C[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 ZINC000004106358 569459042 /nfs/dbraw/zinc/45/90/42/569459042.db2.gz QMBXXDQXCWZTRH-RPBOFIJWSA-N 0 0 438.483 3.956 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)cc(OC)c1 ZINC000032069920 569459186 /nfs/dbraw/zinc/45/91/86/569459186.db2.gz FXHJYXBNMDJTIJ-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1cccc(Cl)c1)C2 ZINC000032091018 569459572 /nfs/dbraw/zinc/45/95/72/569459572.db2.gz IUTFOLNQZYYHFM-UHFFFAOYSA-N 0 0 439.899 3.587 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@]43C(=O)Nc4ccc(F)cc43)sc2c1 ZINC000032092985 569459697 /nfs/dbraw/zinc/45/96/97/569459697.db2.gz SGWGDGDUHFKVEA-NRFANRHFSA-N 0 0 435.440 3.860 50 0 IHAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC ZINC000032096954 569459894 /nfs/dbraw/zinc/45/98/94/569459894.db2.gz WKIBCGGWIFTWKE-LBPRGKRZSA-N 0 0 429.864 3.774 50 0 IHAARN COc1ccccc1-n1cnc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1=O ZINC000032102359 569460135 /nfs/dbraw/zinc/46/01/35/569460135.db2.gz BRSFOXMHWSFFPF-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN CC1=C[C@@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@H](C)C1 ZINC000004201052 569460937 /nfs/dbraw/zinc/46/09/37/569460937.db2.gz ZHWAMRJQVFCPPU-FGZHOGPDSA-N 0 0 434.621 3.653 50 0 IHAARN CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]32)cc1 ZINC000229810058 569461884 /nfs/dbraw/zinc/46/18/84/569461884.db2.gz KOTQDXOXUNHJPR-DRJBRKBZSA-N 0 0 435.517 3.591 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NCc2ccc4c(c2)OCO4)nnc3C)cc1 ZINC000038488200 569463047 /nfs/dbraw/zinc/46/30/47/569463047.db2.gz QXYQAGJPRIEOQI-UHFFFAOYSA-N 0 0 447.520 3.570 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000067205978 569464652 /nfs/dbraw/zinc/46/46/52/569464652.db2.gz MOMYUHRAPMUCMJ-UHFFFAOYSA-N 0 0 437.452 3.502 50 0 IHAARN COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000067205972 569464680 /nfs/dbraw/zinc/46/46/80/569464680.db2.gz SFQAGCYNBMZUNY-UHFFFAOYSA-N 0 0 435.480 3.813 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1C ZINC000067218455 569464954 /nfs/dbraw/zinc/46/49/54/569464954.db2.gz ARRQRADOFVMYSZ-UHFFFAOYSA-N 0 0 447.560 3.580 50 0 IHAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)Nc2ccc(Cl)cc2F)c3=O)c1 ZINC000067235554 569465322 /nfs/dbraw/zinc/46/53/22/569465322.db2.gz IRRNXTXMJULFKR-UHFFFAOYSA-N 0 0 440.862 3.842 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C ZINC000067235984 569465386 /nfs/dbraw/zinc/46/53/86/569465386.db2.gz XMKRSDHZUWFEFY-UHFFFAOYSA-N 0 0 428.514 3.521 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238152 569465600 /nfs/dbraw/zinc/46/56/00/569465600.db2.gz PSPZRODZNCWOLB-UHFFFAOYSA-N 0 0 428.514 3.539 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)[nH]n1 ZINC000038651931 569465762 /nfs/dbraw/zinc/46/57/62/569465762.db2.gz LCGUJECPXJSRNI-UHFFFAOYSA-N 0 0 428.489 3.627 50 0 IHAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccc4OC)s3)c2C)cc1 ZINC000038654951 569465777 /nfs/dbraw/zinc/46/57/77/569465777.db2.gz KJRYVYKWOCMDIH-UHFFFAOYSA-N 0 0 449.536 3.955 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000067245094 569465827 /nfs/dbraw/zinc/46/58/27/569465827.db2.gz RPJYSRIRDLEGFH-UHFFFAOYSA-N 0 0 432.523 3.843 50 0 IHAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)cc1 ZINC000038655322 569465840 /nfs/dbraw/zinc/46/58/40/569465840.db2.gz YHWSCTSFFXVLTJ-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1cccc(F)c1 ZINC000067255432 569466051 /nfs/dbraw/zinc/46/60/51/569466051.db2.gz BSZGGRXTIWUUGM-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN CN(C(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)C1CCCCC1 ZINC000067255382 569466056 /nfs/dbraw/zinc/46/60/56/569466056.db2.gz ZHNNGHDSGDTNPW-UHFFFAOYSA-N 0 0 445.976 3.628 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N[C@@H](C)c4ccc(F)cc4)ccn3n2)cc1 ZINC000067261228 569466440 /nfs/dbraw/zinc/46/64/40/569466440.db2.gz RIHGPCIFLQOEFO-KRWDZBQOSA-N 0 0 448.498 3.968 50 0 IHAARN CCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 ZINC000067261755 569466612 /nfs/dbraw/zinc/46/66/12/569466612.db2.gz ZRPRIOZYXSTZPB-UHFFFAOYSA-N 0 0 429.480 3.667 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286890 569467109 /nfs/dbraw/zinc/46/71/09/569467109.db2.gz TWBSSNUGGDGTOC-JOCHJYFZSA-N 0 0 437.565 3.638 50 0 IHAARN CCCCN(C)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000067291032 569467638 /nfs/dbraw/zinc/46/76/38/569467638.db2.gz VKMCHXSVAJUWIM-UHFFFAOYSA-N 0 0 439.537 3.524 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)NCc3ccccc3Cl)c2c(=O)n1CC(C)C ZINC000067319859 569468593 /nfs/dbraw/zinc/46/85/93/569468593.db2.gz LDHQRFDEIYIXPJ-UHFFFAOYSA-N 0 0 432.977 3.854 50 0 IHAARN CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000008525806 569468309 /nfs/dbraw/zinc/46/83/09/569468309.db2.gz DEJLHXZQYVMAOT-QGZVFWFLSA-N 0 0 427.545 3.611 50 0 IHAARN Cc1ccccc1NC(=O)CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 ZINC000067317523 569468482 /nfs/dbraw/zinc/46/84/82/569468482.db2.gz HMRHTCRGOGLBIX-UHFFFAOYSA-N 0 0 448.445 3.606 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 ZINC000067320170 569468635 /nfs/dbraw/zinc/46/86/35/569468635.db2.gz ORAGVYKPIACFKT-MRXNPFEDSA-N 0 0 442.585 3.770 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccc(Br)cc1 ZINC000067322571 569468688 /nfs/dbraw/zinc/46/86/88/569468688.db2.gz OIQVXNCLSYFZLD-UHFFFAOYSA-N 0 0 446.280 3.688 50 0 IHAARN Cc1c(C(=O)Nc2cc(F)ccc2C)nnn1CC(=O)Nc1ccccc1Br ZINC000067322368 569468703 /nfs/dbraw/zinc/46/87/03/569468703.db2.gz CCILPUJMMIRBLR-UHFFFAOYSA-N 0 0 446.280 3.688 50 0 IHAARN CCn1c(CSc2nc3cc(C)ccc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008569532 569469169 /nfs/dbraw/zinc/46/91/69/569469169.db2.gz ZIKGITZUKDLQON-UHFFFAOYSA-N 0 0 429.571 3.784 50 0 IHAARN COc1cc(NC(=O)c2cc3c(ccn(Cc4ccco4)c3=O)nc2C)cc(OC)c1OC ZINC000008605448 569469348 /nfs/dbraw/zinc/46/93/48/569469348.db2.gz ZLWVJXNOAZFXAM-UHFFFAOYSA-N 0 0 449.463 3.624 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008634696 569469535 /nfs/dbraw/zinc/46/95/35/569469535.db2.gz CFYFEYGDHLUKDW-DWXRJYCRSA-N 0 0 427.504 3.998 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038946514 569469646 /nfs/dbraw/zinc/46/96/46/569469646.db2.gz BZJWQUOOALCTGW-QZTJIDSGSA-N 0 0 437.590 3.863 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)n1Cc1ccccc1 ZINC000008667665 569469998 /nfs/dbraw/zinc/46/99/98/569469998.db2.gz LIXWJFBDLYLWGE-UHFFFAOYSA-N 0 0 444.487 3.565 50 0 IHAARN Cc1cc(NC(=O)c2cnccn2)ccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000008710349 569470932 /nfs/dbraw/zinc/47/09/32/569470932.db2.gz LXVLUMHWHSGYBT-UHFFFAOYSA-N 0 0 447.314 3.601 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1C[C@@H]1CCCO1 ZINC000008713713 569471078 /nfs/dbraw/zinc/47/10/78/569471078.db2.gz UZHBCLZOZGECHE-WBVHZDCISA-N 0 0 442.537 3.756 50 0 IHAARN Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c12 ZINC000008717617 569471158 /nfs/dbraw/zinc/47/11/58/569471158.db2.gz DHEHLZQTDGPGOC-UHFFFAOYSA-N 0 0 426.542 3.751 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O ZINC000008718624 569471333 /nfs/dbraw/zinc/47/13/33/569471333.db2.gz OMQODYDBSIEJBE-XMMPIXPASA-N 0 0 433.533 3.515 50 0 IHAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000008724245 569471950 /nfs/dbraw/zinc/47/19/50/569471950.db2.gz LQUXWXMORNQFDU-GOSISDBHSA-N 0 0 429.567 3.538 50 0 IHAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000008762655 569474344 /nfs/dbraw/zinc/47/43/44/569474344.db2.gz OUNRJQDZXQTPBJ-MAUKXSAKSA-N 0 0 441.528 3.684 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008767884 569474955 /nfs/dbraw/zinc/47/49/55/569474955.db2.gz OMWDFFICVXJSEL-SFHVURJKSA-N 0 0 442.364 3.897 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008824805 569477224 /nfs/dbraw/zinc/47/72/24/569477224.db2.gz VVSHDHYGONDAOJ-LLVKDONJSA-N 0 0 444.793 3.539 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000008825085 569477303 /nfs/dbraw/zinc/47/73/03/569477303.db2.gz UFHHHFKKGFHMEB-UHFFFAOYSA-N 0 0 439.328 3.802 50 0 IHAARN CC(C)NC(=O)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000008825297 569477344 /nfs/dbraw/zinc/47/73/44/569477344.db2.gz KZMWZHNXRFSQAO-UHFFFAOYSA-N 0 0 443.550 3.980 50 0 IHAARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843862 569478570 /nfs/dbraw/zinc/47/85/70/569478570.db2.gz DFFRAXAKLOZDMK-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC ZINC000008845134 569478696 /nfs/dbraw/zinc/47/86/96/569478696.db2.gz LPKCPXAILQJYBX-DEOSSOPVSA-N 0 0 442.475 3.940 50 0 IHAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846103 569479005 /nfs/dbraw/zinc/47/90/05/569479005.db2.gz AHGCFHMKWSXISH-JOCHJYFZSA-N 0 0 428.444 3.956 50 0 IHAARN COC(=O)[C@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000008876856 569481105 /nfs/dbraw/zinc/48/11/05/569481105.db2.gz RMEVSIMKTGSKMF-ZDUSSCGKSA-N 0 0 433.464 3.692 50 0 biogenic IHAARN Cc1c2ccccc2oc1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000008880612 569481480 /nfs/dbraw/zinc/48/14/80/569481480.db2.gz ZWENKINWDBMQTO-DEOSSOPVSA-N 0 0 434.448 3.552 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3cccc(OC(F)F)c3)cc2)cs1 ZINC000040005424 569482425 /nfs/dbraw/zinc/48/24/25/569482425.db2.gz SJOFPBHRYRHPTJ-UHFFFAOYSA-N 0 0 445.491 3.809 50 0 IHAARN CN(CCCC(=O)Nc1nc(-c2cccs2)cs1)S(=O)(=O)c1cccs1 ZINC000040032311 569483098 /nfs/dbraw/zinc/48/30/98/569483098.db2.gz NEZDQMOZXSKXAN-UHFFFAOYSA-N 0 0 427.598 3.973 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000008884469 569483180 /nfs/dbraw/zinc/48/31/80/569483180.db2.gz OMYOPZDNOVYVHI-UHFFFAOYSA-N 0 0 426.807 3.790 50 0 IHAARN Cc1oc(-c2cccs2)nc1CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000040039197 569483344 /nfs/dbraw/zinc/48/33/44/569483344.db2.gz MVQWINKJMPAPMV-UHFFFAOYSA-N 0 0 431.583 3.917 50 0 IHAARN CCOc1ccc(-n2ncc(C(=O)OCc3csc(Nc4ccccc4)n3)c2C)nn1 ZINC000040040146 569483393 /nfs/dbraw/zinc/48/33/93/569483393.db2.gz NECSBOHPVZJIFN-UHFFFAOYSA-N 0 0 436.497 3.927 50 0 IHAARN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000040040817 569483499 /nfs/dbraw/zinc/48/34/99/569483499.db2.gz POIXJUAFJZMMFS-LBPRGKRZSA-N 0 0 443.916 3.995 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000040042951 569483583 /nfs/dbraw/zinc/48/35/83/569483583.db2.gz DFZOWANMXPUXIH-UHFFFAOYSA-N 0 0 438.553 3.523 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008894173 569483651 /nfs/dbraw/zinc/48/36/51/569483651.db2.gz WIVZNAWZFUDGIS-UHFFFAOYSA-N 0 0 441.534 3.640 50 0 IHAARN COc1ccc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc43)no2)cc1 ZINC000040057412 569484628 /nfs/dbraw/zinc/48/46/28/569484628.db2.gz DGXBKCVXVDBJOT-UHFFFAOYSA-N 0 0 449.536 3.813 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000008910099 569484732 /nfs/dbraw/zinc/48/47/32/569484732.db2.gz MKPPTMZMLCQHCA-UHFFFAOYSA-N 0 0 445.928 3.750 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059829 569484777 /nfs/dbraw/zinc/48/47/77/569484777.db2.gz VMDFDSMDGNKBMY-AWEZNQCLSA-N 0 0 435.318 3.562 50 0 IHAARN C[C@@]12c3[nH]c4ccc(F)cc4c3CCN1C(=O)CN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000008918463 569486258 /nfs/dbraw/zinc/48/62/58/569486258.db2.gz VMQVXQNPNJFUEN-QFIPXVFZSA-N 0 0 445.416 3.968 50 0 biogenic IHAARN COc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000008919148 569486417 /nfs/dbraw/zinc/48/64/17/569486417.db2.gz FCMNSKLORRZYHH-AREMUKBSSA-N 0 0 447.487 3.720 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O ZINC000040088990 569486974 /nfs/dbraw/zinc/48/69/74/569486974.db2.gz NLASMCQYOIYNML-HNNXBMFYSA-N 0 0 439.903 3.538 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC(F)F)c1 ZINC000040096789 569487535 /nfs/dbraw/zinc/48/75/35/569487535.db2.gz BGUYEWMGDPOLLD-UHFFFAOYSA-N 0 0 427.473 3.640 50 0 IHAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCC4)c(=O)c32)c(C)c1 ZINC000008933245 569487784 /nfs/dbraw/zinc/48/77/84/569487784.db2.gz YJFQEAMTCAHIDN-UHFFFAOYSA-N 0 0 428.536 3.947 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)NC[C@@H]2CCOC2)ccc1Cl ZINC000040103192 569488014 /nfs/dbraw/zinc/48/80/14/569488014.db2.gz SJKFPWISCQZPDT-HNNXBMFYSA-N 0 0 437.949 3.713 50 0 IHAARN Cc1nc2ccc(NC(=O)N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2s1 ZINC000040103251 569488036 /nfs/dbraw/zinc/48/80/36/569488036.db2.gz VESVMQMXPRVSNH-UHFFFAOYSA-N 0 0 444.582 3.842 50 0 IHAARN Cc1cc(CN2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2)on1 ZINC000040103790 569488072 /nfs/dbraw/zinc/48/80/72/569488072.db2.gz HTLBAUMUDQNEHK-UHFFFAOYSA-N 0 0 437.466 3.952 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCNC2=O)c1 ZINC000040105414 569488234 /nfs/dbraw/zinc/48/82/34/569488234.db2.gz PZGRFWAIBHBABU-UHFFFAOYSA-N 0 0 437.503 3.999 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040105695 569488282 /nfs/dbraw/zinc/48/82/82/569488282.db2.gz VOHMKBGVKJNVIT-OAQYLSRUSA-N 0 0 433.643 3.946 50 0 IHAARN COc1cc([C@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1OC ZINC000040111755 569488888 /nfs/dbraw/zinc/48/88/88/569488888.db2.gz QGYFJEARNIQRQL-ZDUSSCGKSA-N 0 0 426.517 3.917 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O ZINC000040116797 569489319 /nfs/dbraw/zinc/48/93/19/569489319.db2.gz IAWIFHKNCWSAPH-FQEVSTJZSA-N 0 0 427.467 3.613 50 0 IHAARN O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000008954920 569490077 /nfs/dbraw/zinc/49/00/77/569490077.db2.gz ZPVDXLLUHAPMHV-UHFFFAOYSA-N 0 0 437.546 3.617 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1Cl ZINC000040133423 569490429 /nfs/dbraw/zinc/49/04/29/569490429.db2.gz WHAZWIXZHYRVDL-NSHDSACASA-N 0 0 426.826 3.708 50 0 IHAARN CCN(Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC(C)(C)C ZINC000040135052 569490601 /nfs/dbraw/zinc/49/06/01/569490601.db2.gz HTMIEKUKTHGWCO-UHFFFAOYSA-N 0 0 437.496 3.922 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965164 569491316 /nfs/dbraw/zinc/49/13/16/569491316.db2.gz PAMPPXFOAOTFAF-UHFFFAOYSA-N 0 0 444.491 3.619 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H](CC)n1nc(CC)n2c3cc(C)oc3cc2c1=O ZINC000008965100 569491363 /nfs/dbraw/zinc/49/13/63/569491363.db2.gz WXCTUBGIQLPYAQ-KRWDZBQOSA-N 0 0 436.512 3.779 50 0 IHAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12 ZINC000008965729 569491491 /nfs/dbraw/zinc/49/14/91/569491491.db2.gz XSQPWCZSFGSHSI-UHFFFAOYSA-N 0 0 433.489 3.843 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008966213 569491698 /nfs/dbraw/zinc/49/16/98/569491698.db2.gz BXLYMHSUYNGCCS-INIZCTEOSA-N 0 0 436.522 3.787 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCCc3nc(-c4cccs4)no3)C2)nc1 ZINC000040145926 569492206 /nfs/dbraw/zinc/49/22/06/569492206.db2.gz NIFFSWNJRTXPDG-MRXNPFEDSA-N 0 0 439.541 3.702 50 0 IHAARN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccc(Br)cc2[nH]1 ZINC000040146824 569492362 /nfs/dbraw/zinc/49/23/62/569492362.db2.gz YJQLASSTXQSLIC-UHFFFAOYSA-N 0 0 428.330 3.693 50 0 IHAARN O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000040149567 569492564 /nfs/dbraw/zinc/49/25/64/569492564.db2.gz CLOYQPUTLCRQBL-MRXNPFEDSA-N 0 0 439.516 3.633 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000040149602 569492576 /nfs/dbraw/zinc/49/25/76/569492576.db2.gz QLGWAPUBAPOOOM-MRXNPFEDSA-N 0 0 445.361 3.750 50 0 IHAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1 ZINC000008977296 569492989 /nfs/dbraw/zinc/49/29/89/569492989.db2.gz NAPJDKJSPUIHGL-UHFFFAOYSA-N 0 0 426.563 3.931 50 0 IHAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3O)s2)o1 ZINC000040150132 569493090 /nfs/dbraw/zinc/49/30/90/569493090.db2.gz WDZXYBXVVAMOOA-UHFFFAOYSA-N 0 0 433.511 3.518 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000040151563 569493298 /nfs/dbraw/zinc/49/32/98/569493298.db2.gz NHNMMHAIBVVUMB-UHFFFAOYSA-N 0 0 434.905 3.540 50 0 IHAARN CCOc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1OCC ZINC000008982821 569494569 /nfs/dbraw/zinc/49/45/69/569494569.db2.gz UWVXGLIDFBBNIB-JOCHJYFZSA-N 0 0 435.542 3.931 50 0 IHAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCc3ccccn3)ccc2c1=O ZINC000008991028 569495266 /nfs/dbraw/zinc/49/52/66/569495266.db2.gz GPKJCUHFQRWERU-UHFFFAOYSA-N 0 0 446.459 3.993 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccc(F)cc2)OCC3)c(=O)n(C)c1=O ZINC000008995425 569495639 /nfs/dbraw/zinc/49/56/39/569495639.db2.gz XAKGNFOZKBKXTP-NRFANRHFSA-N 0 0 439.874 3.618 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)c1nn(-c3cccc(Cl)c3)ccc1=O)CCCC2 ZINC000008995531 569495654 /nfs/dbraw/zinc/49/56/54/569495654.db2.gz XHDGCDLMHZCRQZ-UHFFFAOYSA-N 0 0 443.912 3.865 50 0 IHAARN O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCCCc1ccccc1 ZINC000008995754 569495666 /nfs/dbraw/zinc/49/56/66/569495666.db2.gz BGTKXJVXXZAOFL-UHFFFAOYSA-N 0 0 432.549 3.596 50 0 IHAARN Cc1cc(OC2CN(C(=O)c3cc(Br)ccc3Cl)C2)cc(=O)n1C1CC1 ZINC000244955875 569496547 /nfs/dbraw/zinc/49/65/47/569496547.db2.gz GCWMPPITPKMPJT-UHFFFAOYSA-N 0 0 437.721 3.811 50 0 IHAARN O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1 ZINC000009036796 569497302 /nfs/dbraw/zinc/49/73/02/569497302.db2.gz JTBHQFFFLPXXSL-LBPRGKRZSA-N 0 0 432.851 3.690 50 0 IHAARN O=C1C[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1 ZINC000009036799 569497341 /nfs/dbraw/zinc/49/73/41/569497341.db2.gz JTBHQFFFLPXXSL-GFCCVEGCSA-N 0 0 432.851 3.690 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC(C)C ZINC000040268232 569497547 /nfs/dbraw/zinc/49/75/47/569497547.db2.gz BIGVILBUZPKQSQ-HNNXBMFYSA-N 0 0 433.472 3.538 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000040287558 569498236 /nfs/dbraw/zinc/49/82/36/569498236.db2.gz GZRDHFDAGWBNAW-HXUWFJFHSA-N 0 0 433.386 3.523 50 0 IHAARN COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1OC ZINC000040288498 569498428 /nfs/dbraw/zinc/49/84/28/569498428.db2.gz UYXHIKUWWZIJEV-RUZDIDTESA-N 0 0 446.459 3.692 50 0 IHAARN CCn1c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)cc2[nH]c(=O)c1=O ZINC000009049079 569498548 /nfs/dbraw/zinc/49/85/48/569498548.db2.gz ZDKXDMBSIVBGHE-UHFFFAOYSA-N 0 0 439.562 3.718 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC ZINC000009050102 569498618 /nfs/dbraw/zinc/49/86/18/569498618.db2.gz IYXYMQUZWPMRIT-HXUWFJFHSA-N 0 0 449.551 3.673 50 0 IHAARN CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009055725 569498912 /nfs/dbraw/zinc/49/89/12/569498912.db2.gz URJJPELVTPWXGN-UHFFFAOYSA-N 0 0 428.444 3.845 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccco1 ZINC000009056516 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O=C(CSc1nncn1-c1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009205643 569511365 /nfs/dbraw/zinc/51/13/65/569511365.db2.gz UBKLEJDFBPEIDQ-QGZVFWFLSA-N 0 0 440.500 3.633 50 0 IHAARN O=C(CN1CCc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009208543 569511466 /nfs/dbraw/zinc/51/14/66/569511466.db2.gz DCWINPLYACWKFM-UHFFFAOYSA-N 0 0 447.988 3.906 50 0 IHAARN CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@@H]1c1ccc(Br)cc1 ZINC000009216366 569512147 /nfs/dbraw/zinc/51/21/47/569512147.db2.gz VWXLTEARPYDCAD-UTKZUKDTSA-N 0 0 427.298 3.623 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2Cl)c1 ZINC000009218060 569512356 /nfs/dbraw/zinc/51/23/56/569512356.db2.gz XXGJTIAFDKECCM-UHFFFAOYSA-N 0 0 428.945 3.847 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000009219611 569512500 /nfs/dbraw/zinc/51/25/00/569512500.db2.gz LDGRIYBHEKMKNF-FQEVSTJZSA-N 0 0 433.537 3.780 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000009222412 569512752 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569518455 /nfs/dbraw/zinc/51/84/55/569518455.db2.gz GPXYYWYTEOGFLC-IBGZPJMESA-N 0 0 439.581 3.736 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1C ZINC000009283874 569518982 /nfs/dbraw/zinc/51/89/82/569518982.db2.gz JXTLKOQCOUIZKX-UHFFFAOYSA-N 0 0 433.508 3.575 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1csc(-c2ccccc2)n1 ZINC000009284271 569519007 /nfs/dbraw/zinc/51/90/07/569519007.db2.gz HEVFVFQAUYRYFO-ZDUSSCGKSA-N 0 0 436.942 3.874 50 0 IHAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000009284296 569519020 /nfs/dbraw/zinc/51/90/20/569519020.db2.gz QBDMGILMIIUXNC-UHFFFAOYSA-N 0 0 435.480 3.737 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000009289491 569519606 /nfs/dbraw/zinc/51/96/06/569519606.db2.gz GLQIGDQODNNBRZ-UHFFFAOYSA-N 0 0 441.553 3.502 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 ZINC000009290012 569519711 /nfs/dbraw/zinc/51/97/11/569519711.db2.gz AFPLKTBRLMVTSU-LBPRGKRZSA-N 0 0 440.481 3.542 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc2c(c1)OCO2 ZINC000009290021 569519712 /nfs/dbraw/zinc/51/97/12/569519712.db2.gz CIBPTDBCAMJLJN-UHFFFAOYSA-N 0 0 426.498 3.742 50 0 IHAARN COc1cc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)ccc2O3)cc(OC)c1OC ZINC000009290395 569519741 /nfs/dbraw/zinc/51/97/41/569519741.db2.gz YLTJKSQTJSUFCY-UHFFFAOYSA-N 0 0 445.269 3.922 50 0 IHAARN COC(=O)CSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 ZINC000009292155 569519916 /nfs/dbraw/zinc/51/99/16/569519916.db2.gz MUVBRHZKFCZSDE-UHFFFAOYSA-N 0 0 438.600 3.956 50 0 IHAARN CCc1c(-c2ccccc2)n(-c2ccc(C)c(C)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000009292608 569520004 /nfs/dbraw/zinc/52/00/04/569520004.db2.gz BPMPIOVGKDILBV-UHFFFAOYSA-N 0 0 427.508 3.522 50 0 IHAARN CCSC1=NC2(CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)N=C1c1ccccc1 ZINC000009300151 569520587 /nfs/dbraw/zinc/52/05/87/569520587.db2.gz SDYCVAWLYMAUHL-UHFFFAOYSA-N 0 0 443.594 3.831 50 0 IHAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000009303435 569521018 /nfs/dbraw/zinc/52/10/18/569521018.db2.gz KBOYOVAATILWNX-UHFFFAOYSA-N 0 0 428.441 3.631 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009309814 569521677 /nfs/dbraw/zinc/52/16/77/569521677.db2.gz GHZOAFONKFOFFA-OAQYLSRUSA-N 0 0 426.428 3.720 50 0 IHAARN COc1ccccc1OCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000009310165 569521716 /nfs/dbraw/zinc/52/17/16/569521716.db2.gz BBMJMJKTUOMMGH-XQNSMLJCSA-N 0 0 444.512 3.923 50 0 IHAARN CCOc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc(Br)c1OC ZINC000009316141 569522201 /nfs/dbraw/zinc/52/22/01/569522201.db2.gz BRGMXBUHNKITSY-UHFFFAOYSA-N 0 0 435.318 3.842 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F ZINC000009317916 569522406 /nfs/dbraw/zinc/52/24/06/569522406.db2.gz GNVSDWDEHAQREK-GOSISDBHSA-N 0 0 444.528 3.747 50 0 IHAARN COc1cccc([C@H](Nc2ncnc3c2cnn3-c2ccc(F)cc2)c2nccn2C)c1 ZINC000009318841 569522468 /nfs/dbraw/zinc/52/24/68/569522468.db2.gz VWVPERJCASCFHT-FQEVSTJZSA-N 0 0 429.459 3.898 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F ZINC000009336897 569523459 /nfs/dbraw/zinc/52/34/59/569523459.db2.gz ASXLMFZYSMXTOR-MRXNPFEDSA-N 0 0 428.485 3.587 50 0 IHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009337510 569523588 /nfs/dbraw/zinc/52/35/88/569523588.db2.gz QFJLGNHAQLQXFG-LJQANCHMSA-N 0 0 440.487 3.608 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)NCc1cccnc1)CC2 ZINC000009341344 569523923 /nfs/dbraw/zinc/52/39/23/569523923.db2.gz WOZXELKGVJRROA-UHFFFAOYSA-N 0 0 446.507 3.619 50 0 biogenic IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCc2ccccc2C1 ZINC000009349205 569524690 /nfs/dbraw/zinc/52/46/90/569524690.db2.gz SAMVXMBJECSQJR-UHFFFAOYSA-N 0 0 438.597 3.789 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009349187 569524708 /nfs/dbraw/zinc/52/47/08/569524708.db2.gz ZJLPZXNGQFHUAV-UHFFFAOYSA-N 0 0 447.457 3.764 50 0 IHAARN COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000009352270 569524845 /nfs/dbraw/zinc/52/48/45/569524845.db2.gz VORWMNQPXSJYIU-UHFFFAOYSA-N 0 0 446.475 3.747 50 0 IHAARN COc1cc(C(=O)Nc2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000041076527 569526455 /nfs/dbraw/zinc/52/64/55/569526455.db2.gz LJHPPLWIWIPFKL-UHFFFAOYSA-N 0 0 445.888 3.784 50 0 IHAARN COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000009377311 569527417 /nfs/dbraw/zinc/52/74/17/569527417.db2.gz VEOOIPKXNGRNFI-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000009379133 569527697 /nfs/dbraw/zinc/52/76/97/569527697.db2.gz VKNMCTVIXFVZPP-UHFFFAOYSA-N 0 0 439.537 3.839 50 0 IHAARN O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000070010162 569528078 /nfs/dbraw/zinc/52/80/78/569528078.db2.gz QYEDNVIPLCNBSM-CYBMUJFWSA-N 0 0 426.448 3.898 50 0 IHAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009388723 569528561 /nfs/dbraw/zinc/52/85/61/569528561.db2.gz HJWDUEDKGMBGBC-GOSISDBHSA-N 0 0 442.441 3.620 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc42)CS(=O)(=O)C3)cc1 ZINC000009391547 569528911 /nfs/dbraw/zinc/52/89/11/569528911.db2.gz HUJGXASDKQMLMN-UHFFFAOYSA-N 0 0 433.489 3.715 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccco3)C2)c1 ZINC000009392200 569529080 /nfs/dbraw/zinc/52/90/80/569529080.db2.gz KQZVXXKRXKHSEI-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000009396665 569529185 /nfs/dbraw/zinc/52/91/85/569529185.db2.gz FJQFJGACGQSWAH-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)OCC(=O)N1CCCC1 ZINC000009403822 569529543 /nfs/dbraw/zinc/52/95/43/569529543.db2.gz GNIKVKMBKGIFRL-UHFFFAOYSA-N 0 0 443.956 3.996 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@@H](C)O1 ZINC000009404734 569529701 /nfs/dbraw/zinc/52/97/01/569529701.db2.gz VKGIXEGBGZJLPA-HUUCEWRRSA-N 0 0 430.551 3.952 50 0 IHAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000009406936 569530167 /nfs/dbraw/zinc/53/01/67/569530167.db2.gz IJCINLXMTCBHBP-UHFFFAOYSA-N 0 0 434.521 3.798 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)C[S@@](=O)C2 ZINC000009413509 569531744 /nfs/dbraw/zinc/53/17/44/569531744.db2.gz OOHMFLUQGHZBBE-SANMLTNESA-N 0 0 430.327 3.958 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)c1 ZINC000009413791 569531844 /nfs/dbraw/zinc/53/18/44/569531844.db2.gz FTNZXYTWLVJXRZ-PMERELPUSA-N 0 0 425.510 3.521 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1cccc3ccccc31)CC2 ZINC000009418975 569532473 /nfs/dbraw/zinc/53/24/73/569532473.db2.gz BQLDCHZZEUYFOS-UHFFFAOYSA-N 0 0 433.508 3.954 50 0 IHAARN Cn1c(Sc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C ZINC000009424348 569533112 /nfs/dbraw/zinc/53/31/12/569533112.db2.gz KLWOTNHEPSAJFL-UHFFFAOYSA-N 0 0 447.347 3.940 50 0 IHAARN COc1cc(/C=C\C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc(OC)c1OC ZINC000009428136 569533485 /nfs/dbraw/zinc/53/34/85/569533485.db2.gz AKAMJXHSUHSANX-SREVYHEPSA-N 0 0 436.508 3.543 50 0 IHAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC)S3)cc1 ZINC000009430027 569533858 /nfs/dbraw/zinc/53/38/58/569533858.db2.gz WOFLLQGLKPKBOU-SFHVURJKSA-N 0 0 432.567 3.874 50 0 IHAARN CCOc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009430855 569533986 /nfs/dbraw/zinc/53/39/86/569533986.db2.gz CNZZBSLWIVKEGP-FQEVSTJZSA-N 0 0 441.549 3.898 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009431349 569534149 /nfs/dbraw/zinc/53/41/49/569534149.db2.gz DKZZBVKHPOLIBC-SJORKVTESA-N 0 0 439.961 3.841 50 0 IHAARN CC(C)Cn1c2nnc(CCCC(=O)Nc3ccc(F)cc3)n2c2ccsc2c1=O ZINC000009431495 569534200 /nfs/dbraw/zinc/53/42/00/569534200.db2.gz NNNKVYUQXJUFKP-UHFFFAOYSA-N 0 0 427.505 3.862 50 0 IHAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N(C)c4cc(C)ccc4OC)C3)n2)cc1 ZINC000009431639 569534225 /nfs/dbraw/zinc/53/42/25/569534225.db2.gz IENKHMDWTGOSHQ-SFHVURJKSA-N 0 0 436.512 3.942 50 0 IHAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000009432058 569534388 /nfs/dbraw/zinc/53/43/88/569534388.db2.gz DGLHBEUYRLKNBV-IBGZPJMESA-N 0 0 441.329 3.726 50 0 IHAARN CCCN(C(=O)CNC(C)=O)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCCC1 ZINC000009434789 569534782 /nfs/dbraw/zinc/53/47/82/569534782.db2.gz SWQDJNLSRZQCSM-UHFFFAOYSA-N 0 0 449.595 3.970 50 0 IHAARN CCCCCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O ZINC000009442098 569535509 /nfs/dbraw/zinc/53/55/09/569535509.db2.gz BPCACZAVTNJWRK-UHFFFAOYSA-N 0 0 433.508 3.871 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009450696 569536364 /nfs/dbraw/zinc/53/63/64/569536364.db2.gz ZEYLENWYJKSKRQ-FQEVSTJZSA-N 0 0 430.416 3.934 50 0 IHAARN CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009459793 569536811 /nfs/dbraw/zinc/53/68/11/569536811.db2.gz GHXIYYWRSTUPLT-HXUWFJFHSA-N 0 0 435.973 3.806 50 0 IHAARN O=C(COCc1nc2ccccc2s1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009459909 569536867 /nfs/dbraw/zinc/53/68/67/569536867.db2.gz QYZRYPMTDGKPHA-UHFFFAOYSA-N 0 0 440.550 3.898 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccco1 ZINC000009459998 569536899 /nfs/dbraw/zinc/53/68/99/569536899.db2.gz YZMDYWQQNISTJZ-UHFFFAOYSA-N 0 0 430.464 3.652 50 0 IHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000009462011 569537160 /nfs/dbraw/zinc/53/71/60/569537160.db2.gz FHCNVFWJRUGVPQ-UHFFFAOYSA-N 0 0 435.524 3.856 50 0 IHAARN C[C@@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1ccc2ccccc2c1 ZINC000009464448 569537683 /nfs/dbraw/zinc/53/76/83/569537683.db2.gz OGNDJZBXOIWOKC-CQSZACIVSA-N 0 0 437.500 3.983 50 0 IHAARN CN(CC(=O)NCc1ccco1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000009467768 569538454 /nfs/dbraw/zinc/53/84/54/569538454.db2.gz PZWFTVNWTIFQEG-UHFFFAOYSA-N 0 0 434.521 3.837 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccncc3)n2C2CC2)n1 ZINC000009468950 569538741 /nfs/dbraw/zinc/53/87/41/569538741.db2.gz KSEMQYKYORJYOJ-UHFFFAOYSA-N 0 0 431.529 3.787 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009478096 569539338 /nfs/dbraw/zinc/53/93/38/569539338.db2.gz BLSAZLTVTKKDTJ-KBXCAEBGSA-N 0 0 447.557 3.808 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000009479241 569539405 /nfs/dbraw/zinc/53/94/05/569539405.db2.gz RPRJVGCBDBJUIG-UHFFFAOYSA-N 0 0 434.517 3.954 50 0 IHAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CCSCC4)ccc3c2=O)cc1 ZINC000009483689 569539558 /nfs/dbraw/zinc/53/95/58/569539558.db2.gz JKWSAGHQFZFDHK-UHFFFAOYSA-N 0 0 425.506 3.731 50 0 biogenic IHAARN COc1ccc(CCNC(=O)C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000009486650 569539662 /nfs/dbraw/zinc/53/96/62/569539662.db2.gz JJAGPTFNYKBBDS-UHFFFAOYSA-N 0 0 448.475 3.909 50 0 IHAARN CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000009491996 569540450 /nfs/dbraw/zinc/54/04/50/569540450.db2.gz PQTGHBJXGFXRSP-UHFFFAOYSA-N 0 0 433.537 3.901 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000009491930 569540470 /nfs/dbraw/zinc/54/04/70/569540470.db2.gz XCVPKRQXYYXWPH-WMLDXEAASA-N 0 0 446.525 3.533 50 0 IHAARN Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009491923 569540472 /nfs/dbraw/zinc/54/04/72/569540472.db2.gz FJFNNQHZNNOBAM-UHFFFAOYSA-N 0 0 448.972 3.730 50 0 IHAARN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4F)n3N)sc2c1 ZINC000009496685 569541210 /nfs/dbraw/zinc/54/12/10/569541210.db2.gz SKRNRPBRPDWZNX-UHFFFAOYSA-N 0 0 444.517 3.537 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1 ZINC000009497082 569541242 /nfs/dbraw/zinc/54/12/42/569541242.db2.gz GXKWQHZPRTXCLA-FQEVSTJZSA-N 0 0 441.531 3.640 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)n1nnc(-c2cccc(OC)c2)n1 ZINC000009500397 569541522 /nfs/dbraw/zinc/54/15/22/569541522.db2.gz AOBRELRIVCVRHT-JOCHJYFZSA-N 0 0 429.480 3.976 50 0 IHAARN Cc1nc2cc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)ccc2o1 ZINC000009501166 569541637 /nfs/dbraw/zinc/54/16/37/569541637.db2.gz QLGHJEQEQSNFEL-XMMPIXPASA-N 0 0 428.448 3.695 50 0 IHAARN COc1ccc(F)cc1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009502358 569541692 /nfs/dbraw/zinc/54/16/92/569541692.db2.gz RTZRRHDJHRGNJV-RUZDIDTESA-N 0 0 432.451 3.707 50 0 IHAARN COc1cccc(C(=O)NCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 ZINC000009507065 569541982 /nfs/dbraw/zinc/54/19/82/569541982.db2.gz DTZCYFNUSRWCPF-XMMPIXPASA-N 0 0 446.503 3.965 50 0 IHAARN Cc1cc(C)n2nc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)nc2n1 ZINC000009507714 569542143 /nfs/dbraw/zinc/54/21/43/569542143.db2.gz MYQPHFDMUQWMSM-UHFFFAOYSA-N 0 0 429.303 3.879 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000009510428 569542722 /nfs/dbraw/zinc/54/27/22/569542722.db2.gz CZLNOORALBDGNW-MYZZLAAOSA-N 0 0 429.303 3.829 50 0 IHAARN CN(C(=O)CSc1nnc2ccccn21)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000009512928 569543025 /nfs/dbraw/zinc/54/30/25/569543025.db2.gz BCBILXHVJUSATL-OAQYLSRUSA-N 0 0 428.945 3.972 50 0 IHAARN 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ZINC000009963885 569575863 /nfs/dbraw/zinc/57/58/63/569575863.db2.gz BCHYNQNVNSTCPZ-VWLOTQADSA-N 0 0 435.524 3.828 50 0 IHAARN COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000009971273 569576287 /nfs/dbraw/zinc/57/62/87/569576287.db2.gz BZYXJZKGWVLCAU-JOCHJYFZSA-N 0 0 425.485 3.837 50 0 IHAARN O=C(CSc1nnc(NC2CCCCC2)s1)OCCCn1c(=O)[nH]c2ccccc21 ZINC000009988609 569576834 /nfs/dbraw/zinc/57/68/34/569576834.db2.gz SLDBBXQTFOCKKW-UHFFFAOYSA-N 0 0 447.586 3.651 50 0 IHAARN CCOc1cc2c(cc1OCC)CN(C(=O)CNC(=O)c1ccc3ccccc3c1)CC2 ZINC000009990074 569576895 /nfs/dbraw/zinc/57/68/95/569576895.db2.gz ARZGNWFUZGAEMT-UHFFFAOYSA-N 0 0 432.520 3.952 50 0 IHAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1=O ZINC000010013105 569577086 /nfs/dbraw/zinc/57/70/86/569577086.db2.gz LUZMDRWXFATYSK-UHFFFAOYSA-N 0 0 446.960 3.849 50 0 IHAARN O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000010021984 569577214 /nfs/dbraw/zinc/57/72/14/569577214.db2.gz WPXUKVONTDUJOX-UHFFFAOYSA-N 0 0 441.553 3.567 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 ZINC000010022362 569577293 /nfs/dbraw/zinc/57/72/93/569577293.db2.gz RHGOMZAPAOXZHN-SFHVURJKSA-N 0 0 437.323 3.851 50 0 IHAARN CC[C@@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010030859 569577353 /nfs/dbraw/zinc/57/73/53/569577353.db2.gz LKGQPXOAILSOAA-QGZVFWFLSA-N 0 0 438.553 3.853 50 0 IHAARN Nc1nc(COC(=O)c2ccccc2C(=O)c2cccs2)nc(Nc2ccccc2)n1 ZINC000010037316 569577459 /nfs/dbraw/zinc/57/74/59/569577459.db2.gz QBLRZCFCEWDIBD-UHFFFAOYSA-N 0 0 431.477 3.847 50 0 IHAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@H](C)C(=O)N2CCCC2)c1 ZINC000010069292 569577637 /nfs/dbraw/zinc/57/76/37/569577637.db2.gz JGAOARONWAWOCG-MRXNPFEDSA-N 0 0 437.471 3.855 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000010078081 569577737 /nfs/dbraw/zinc/57/77/37/569577737.db2.gz KPJUWBGQDKSZDJ-UHFFFAOYSA-N 0 0 430.457 3.653 50 0 IHAARN Cc1c(C)n([C@H](C)c2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n12 ZINC000010104199 569577874 /nfs/dbraw/zinc/57/78/74/569577874.db2.gz OMKOPAVZLVXRML-LJQANCHMSA-N 0 0 441.535 3.618 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2sc(C)nc2C)cc1 ZINC000010142424 569578122 /nfs/dbraw/zinc/57/81/22/569578122.db2.gz XBDLZVYASZQZMV-UHFFFAOYSA-N 0 0 439.493 3.816 50 0 IHAARN COc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)c1 ZINC000010186704 569578491 /nfs/dbraw/zinc/57/84/91/569578491.db2.gz OVFMFBTZFPKUBI-UHFFFAOYSA-N 0 0 425.510 3.503 50 0 IHAARN C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000010187155 569578544 /nfs/dbraw/zinc/57/85/44/569578544.db2.gz LAVSVGMNJYIOOJ-JQWIXIFHSA-N 0 0 446.019 3.775 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)c1 ZINC000010188168 569578787 /nfs/dbraw/zinc/57/87/87/569578787.db2.gz IKYNPLOVPYMCID-UHFFFAOYSA-N 0 0 430.439 3.795 50 0 IHAARN CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 ZINC000010252889 569579910 /nfs/dbraw/zinc/57/99/10/569579910.db2.gz RVIPWAQTZLQNTH-UHFFFAOYSA-N 0 0 437.546 3.871 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000010253577 569579976 /nfs/dbraw/zinc/57/99/76/569579976.db2.gz ZOOAUJSMHMNRKF-UHFFFAOYSA-N 0 0 430.507 3.973 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000010286467 569580450 /nfs/dbraw/zinc/58/04/50/569580450.db2.gz DDBCIOKFCYMRBY-UHFFFAOYSA-N 0 0 429.567 3.743 50 0 IHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000010284573 569580484 /nfs/dbraw/zinc/58/04/84/569580484.db2.gz BBSKADPATZEPEG-UHFFFAOYSA-N 0 0 432.329 3.626 50 0 IHAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000010291321 569580514 /nfs/dbraw/zinc/58/05/14/569580514.db2.gz BKYRGFYTVSWCND-HXUWFJFHSA-N 0 0 430.526 3.847 50 0 IHAARN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NCc1ccccc1 ZINC000010289411 569580558 /nfs/dbraw/zinc/58/05/58/569580558.db2.gz RABOMJRRHAEQEN-UHFFFAOYSA-N 0 0 435.597 3.721 50 0 IHAARN CCOc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)c1 ZINC000071768316 569580682 /nfs/dbraw/zinc/58/06/82/569580682.db2.gz KZUUCLYRQVLLPF-UHFFFAOYSA-N 0 0 432.484 3.769 50 0 IHAARN CCOc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C(C)C)no3)cn2)cn1 ZINC000071768315 569580688 /nfs/dbraw/zinc/58/06/88/569580688.db2.gz FQEBZLOQVPVUBV-UHFFFAOYSA-N 0 0 432.484 3.769 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)c4ccc(OC)cc4)c3)c2)n1 ZINC000071768481 569580746 /nfs/dbraw/zinc/58/07/46/569580746.db2.gz SGCQGMPJBKUBSS-HNNXBMFYSA-N 0 0 432.484 3.769 50 0 IHAARN COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1cc2c(c(OC)c1)OCO2 ZINC000010360129 569581483 /nfs/dbraw/zinc/58/14/83/569581483.db2.gz HOCCFAFPYHKHKI-HXUWFJFHSA-N 0 0 440.521 3.924 50 0 IHAARN O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 ZINC000010381559 569581633 /nfs/dbraw/zinc/58/16/33/569581633.db2.gz RDJPKFMESUKBLG-IBGZPJMESA-N 0 0 438.484 3.895 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Br)o1 ZINC000071808206 569581812 /nfs/dbraw/zinc/58/18/12/569581812.db2.gz HYZSYCXQSOEKQD-UHFFFAOYSA-N 0 0 441.347 3.666 50 0 IHAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010408264 569581903 /nfs/dbraw/zinc/58/19/03/569581903.db2.gz ZUTOLFLPSCOLFU-QGZVFWFLSA-N 0 0 433.549 3.903 50 0 IHAARN O=C(CCn1c(=S)[nH]nc1-c1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446611 569582269 /nfs/dbraw/zinc/58/22/69/569582269.db2.gz FNVGDORMXCDDFR-UHFFFAOYSA-N 0 0 441.582 3.937 50 0 IHAARN COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccccc1Cl ZINC000072405229 569583693 /nfs/dbraw/zinc/58/36/93/569583693.db2.gz FAFKOYKJHWEMLE-UHFFFAOYSA-N 0 0 446.920 3.535 50 0 IHAARN COC(=O)c1nc(NC(=O)[C@H](NC(=O)c2cccnc2)c2ccccc2)sc1C(C)C ZINC000095480549 569583744 /nfs/dbraw/zinc/58/37/44/569583744.db2.gz ZKFCZUUGHPELRO-MRXNPFEDSA-N 0 0 438.509 3.558 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101279 569585621 /nfs/dbraw/zinc/58/56/21/569585621.db2.gz NDSMEYVKNMTLOB-UHFFFAOYSA-N 0 0 449.898 3.549 50 0 IHAARN Cn1nc(C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)n(-c2ccccc2)c1=O ZINC000077135524 569585638 /nfs/dbraw/zinc/58/56/38/569585638.db2.gz ASABTNMRHKWSOX-UHFFFAOYSA-N 0 0 445.548 3.714 50 0 IHAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1(c2cccs2)CCCC1 ZINC000077154883 569585751 /nfs/dbraw/zinc/58/57/51/569585751.db2.gz KMFRQLQIVVPYDF-UHFFFAOYSA-N 0 0 437.612 3.505 50 0 IHAARN O=C(c1cnn(-c2ccccc2)n1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077190941 569585897 /nfs/dbraw/zinc/58/58/97/569585897.db2.gz NLVVHSLUTVXYRP-UHFFFAOYSA-N 0 0 440.385 3.576 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 ZINC000077196444 569586123 /nfs/dbraw/zinc/58/61/23/569586123.db2.gz UHOLWXOCTIJKQC-UHFFFAOYSA-N 0 0 432.889 3.552 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077198100 569586248 /nfs/dbraw/zinc/58/62/48/569586248.db2.gz AEFIVQWXUTXZHG-UHFFFAOYSA-N 0 0 445.341 3.555 50 0 IHAARN COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)Nc1cccc(C(C)=O)c1 ZINC000077200081 569586311 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50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1cccnc1 ZINC000006124726 193879864 /nfs/dbraw/zinc/87/98/64/193879864.db2.gz LWSNEUVDEUDBTR-UHFFFAOYSA-N 0 0 449.454 3.612 50 0 IHAARN Cc1nc(N)sc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000006159891 193886691 /nfs/dbraw/zinc/88/66/91/193886691.db2.gz RLILUBQPAHGMTA-UHFFFAOYSA-N 0 0 428.465 3.579 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccco2)cc1 ZINC000009834486 193900846 /nfs/dbraw/zinc/90/08/46/193900846.db2.gz NYULMHATRUEKOR-HSZRJFAPSA-N 0 0 438.549 3.973 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009846721 193905070 /nfs/dbraw/zinc/90/50/70/193905070.db2.gz HGPJOHWFHPPULV-KRWDZBQOSA-N 0 0 425.916 3.958 50 0 IHAARN COc1ccc(CNc2nc3cc(OC)c(OC)cc3c3nc(-c4cccnc4)nn32)cc1 ZINC000009831158 193898630 /nfs/dbraw/zinc/89/86/30/193898630.db2.gz XBWUDOKKHASOHD-UHFFFAOYSA-N 0 0 442.479 3.977 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cccc(Cl)c3)nn2)cc1 ZINC000009853066 193908028 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CC(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012879933 519748654 /nfs/dbraw/zinc/74/86/54/519748654.db2.gz KGXYUDILJKUJDI-QFIPXVFZSA-N 0 0 440.515 3.877 50 0 IHAARN CC(C)OCCCNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565244 519763479 /nfs/dbraw/zinc/76/34/79/519763479.db2.gz KLEFAUDSNFPQTE-UHFFFAOYSA-N 0 0 428.558 3.700 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000022291424 519798533 /nfs/dbraw/zinc/79/85/33/519798533.db2.gz WRYYAQXOJODTSR-LJQANCHMSA-N 0 0 432.565 3.907 50 0 IHAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3cccs3)N2C1=O ZINC000021644185 519806481 /nfs/dbraw/zinc/80/64/81/519806481.db2.gz CQUYXZFWMCTOTL-DYVFJYSZSA-N 0 0 426.567 3.801 50 0 IHAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1Cn1cccn1 ZINC000024624440 519818182 /nfs/dbraw/zinc/81/81/82/519818182.db2.gz SWZKONCKHJAVIM-ULCRDSCMSA-N 0 0 448.611 3.905 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000035681566 519821043 /nfs/dbraw/zinc/82/10/43/519821043.db2.gz HWNMEVNKAZUGIL-MLUDITRGSA-N 0 0 440.521 3.509 50 0 IHAARN CC(C)c1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c2cnn(C(C)C)c2n1 ZINC000021936142 519832257 /nfs/dbraw/zinc/83/22/57/519832257.db2.gz DAZPFLLLPZPEFA-UHFFFAOYSA-N 0 0 435.572 3.898 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 ZINC000012926096 519838442 /nfs/dbraw/zinc/83/84/42/519838442.db2.gz DFHSNWSLENNRGR-UHFFFAOYSA-N 0 0 433.599 3.795 50 0 IHAARN CCCC(=O)N1CCCN(c2nc3cc(Cl)c(Cl)cc3nc2C(=O)OCC)CC1 ZINC000022671118 519865844 /nfs/dbraw/zinc/86/58/44/519865844.db2.gz LARGSHJLBPXTOQ-UHFFFAOYSA-N 0 0 439.343 3.952 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(F)ccc1Cl)[C@H](C(=O)N(C)C)C2 ZINC000065167137 519878680 /nfs/dbraw/zinc/87/86/80/519878680.db2.gz OJWHZVNNYRHHDH-FQEVSTJZSA-N 0 0 445.922 3.873 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F ZINC000035947258 519883311 /nfs/dbraw/zinc/88/33/11/519883311.db2.gz WITYYZZHMVRWTN-IBGZPJMESA-N 0 0 446.548 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/nfs/dbraw/zinc/10/22/62/520102262.db2.gz LYAXZWYJESEGSG-UHFFFAOYSA-N 0 0 449.576 3.864 50 0 IHAARN CC(C)n1nccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000012786618 520116620 /nfs/dbraw/zinc/11/66/20/520116620.db2.gz SSAMEHJBTBUJGB-UHFFFAOYSA-N 0 0 433.541 3.897 50 0 IHAARN CCCCCn1c2nnc(CCC(=O)NCc3ccc(F)cc3)n2c2ccsc2c1=O ZINC000035528611 520332220 /nfs/dbraw/zinc/33/22/20/520332220.db2.gz BENWMJKLLAEJQD-UHFFFAOYSA-N 0 0 441.532 3.684 50 0 IHAARN CCCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC2CC2)cc1OCCC ZINC000009666318 520339839 /nfs/dbraw/zinc/33/98/39/520339839.db2.gz DIZNUUHJRWTHKC-UHFFFAOYSA-N 0 0 439.508 3.931 50 0 IHAARN CCCOc1ccc(CNC(=O)CCC(=O)N2CCCn3nc(-c4cccn4C)cc32)cc1 ZINC000021533063 520355654 /nfs/dbraw/zinc/35/56/54/520355654.db2.gz UZYKRRZRFNKFMZ-UHFFFAOYSA-N 0 0 449.555 3.511 50 0 IHAARN CCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014720923 520358499 /nfs/dbraw/zinc/35/84/99/520358499.db2.gz WAIBVSVOXWONIZ-UHFFFAOYSA-N 0 0 432.590 3.552 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012852949 520365648 /nfs/dbraw/zinc/36/56/48/520365648.db2.gz PFPNZOVNYQNPBZ-UHFFFAOYSA-N 0 0 440.503 3.615 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000012300144 520462080 /nfs/dbraw/zinc/46/20/80/520462080.db2.gz DQTGFPRWRVCAJW-INIZCTEOSA-N 0 0 429.604 3.604 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2cc3c(nc2Cl)CCC3)CC1 ZINC000012196268 520463459 /nfs/dbraw/zinc/46/34/59/520463459.db2.gz FFPWRTVEBMELNC-KRWDZBQOSA-N 0 0 434.964 3.968 50 0 IHAARN CC1(C)C[C@@H](NC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CCO1 ZINC000012744089 520517520 /nfs/dbraw/zinc/51/75/20/520517520.db2.gz JIMIITVSYONMCD-FQEVSTJZSA-N 0 0 434.584 3.923 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 ZINC000012180472 520526288 /nfs/dbraw/zinc/52/62/88/520526288.db2.gz ROUOMVPQRVQSGB-UHFFFAOYSA-N 0 0 442.990 3.774 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2O1 ZINC000013121265 520582349 /nfs/dbraw/zinc/58/23/49/520582349.db2.gz QDUIAQVRDHUGIX-UHFFFAOYSA-N 0 0 444.553 3.592 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022626266 520583081 /nfs/dbraw/zinc/58/30/81/520583081.db2.gz WOEPRGFBQGIBMB-INIZCTEOSA-N 0 0 434.949 3.823 50 0 IHAARN CCOc1c(C)cc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1C ZINC000016973270 520593767 /nfs/dbraw/zinc/59/37/67/520593767.db2.gz KSOHNMROMAPROX-UHFFFAOYSA-N 0 0 433.570 3.737 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054561 520677818 /nfs/dbraw/zinc/67/78/18/520677818.db2.gz XULYVVNYHDSFJE-UXHICEINSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012865002 520687094 /nfs/dbraw/zinc/68/70/94/520687094.db2.gz FCJDXTHDHIUXMU-VWLOTQADSA-N 0 0 430.508 3.938 50 0 biogenic IHAARN CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000035851989 520779190 /nfs/dbraw/zinc/77/91/90/520779190.db2.gz NKBFIPOZZNNWSJ-BYXVTNLJSA-N 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ZINC000020418502 521037586 /nfs/dbraw/zinc/03/75/86/521037586.db2.gz YGPDPVYSXYBOPG-UHFFFAOYSA-N 0 0 443.632 3.966 50 0 IHAARN CC1CCN(c2nc(F)c3c(c2F)S(=O)(=O)CCN3Cc2c(F)cccc2F)CC1 ZINC000024616070 521045401 /nfs/dbraw/zinc/04/54/01/521045401.db2.gz AWAUQCMDGZESMP-UHFFFAOYSA-N 0 0 443.466 3.668 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)NCC2(c3ccccc3)CC2)cc1OCC ZINC000022426978 521056413 /nfs/dbraw/zinc/05/64/13/521056413.db2.gz DTRNMHWIYZOZLV-UHFFFAOYSA-N 0 0 425.529 3.796 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccncc2)cc3=O)cc1 ZINC000021663716 521075031 /nfs/dbraw/zinc/07/50/31/521075031.db2.gz XXTFIPJDFXLZJU-UHFFFAOYSA-N 0 0 439.475 3.749 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946698 521087631 /nfs/dbraw/zinc/08/76/31/521087631.db2.gz XXSSSYTZXLEKHT-OAQYLSRUSA-N 0 0 429.467 3.528 50 0 IHAARN CCOc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000035595047 521093919 /nfs/dbraw/zinc/09/39/19/521093919.db2.gz HMQMHGOYQWUMHV-UHFFFAOYSA-N 0 0 438.528 3.766 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 ZINC000020326122 521101968 /nfs/dbraw/zinc/10/19/68/521101968.db2.gz RJDLXEHAXXENOI-FQEVSTJZSA-N 0 0 447.582 3.945 50 0 IHAARN CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000020609073 521173728 /nfs/dbraw/zinc/17/37/28/521173728.db2.gz NIAMLEXJVLIFMG-GOSISDBHSA-N 0 0 432.801 3.820 50 0 IHAARN CCCC[C@H](CC)CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000012898274 521175661 /nfs/dbraw/zinc/17/56/61/521175661.db2.gz HWQGTKVQVVSWPY-UWJYYQICSA-N 0 0 426.561 3.744 50 0 biogenic IHAARN CCCC[C@H](CC)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022993407 521175833 /nfs/dbraw/zinc/17/58/33/521175833.db2.gz CLNQCEPIUKBPHZ-SFHVURJKSA-N 0 0 440.606 3.629 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2cc(C)cs2)C1 ZINC000015065213 521183888 /nfs/dbraw/zinc/18/38/88/521183888.db2.gz RGLWBCBTPOSJTK-OAQYLSRUSA-N 0 0 437.583 3.642 50 0 IHAARN CCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)S(=O)(=O)c1ccc(C)cc1 ZINC000036012957 521284623 /nfs/dbraw/zinc/28/46/23/521284623.db2.gz LPAHAYMTAFTEAJ-UHFFFAOYSA-N 0 0 446.525 3.887 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)sc2n1 ZINC000021165867 521345528 /nfs/dbraw/zinc/34/55/28/521345528.db2.gz VQQXNXNSZRJGFJ-UHFFFAOYSA-N 0 0 425.558 3.575 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(OC)ccc2OC)C1 ZINC000012718721 521355310 /nfs/dbraw/zinc/35/53/10/521355310.db2.gz POBABNMEGSCIOX-DEOSSOPVSA-N 0 0 429.488 3.871 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2cccs2)c1C ZINC000036004272 521361471 /nfs/dbraw/zinc/36/14/71/521361471.db2.gz JYVGSHVYDKEAPM-UHFFFAOYSA-N 0 0 439.537 3.833 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C2CC2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000035993359 521362595 /nfs/dbraw/zinc/36/25/95/521362595.db2.gz PTMCDKYMCNVRMO-MRXNPFEDSA-N 0 0 432.542 3.541 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)C2CCC2)c1C ZINC000036004285 521365297 /nfs/dbraw/zinc/36/52/97/521365297.db2.gz IQKTVTADCQVDRZ-KRWDZBQOSA-N 0 0 425.529 3.646 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000014352275 521371975 /nfs/dbraw/zinc/37/19/75/521371975.db2.gz NAOCKEBQGBSMLE-UHFFFAOYSA-N 0 0 449.492 3.585 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000021803335 521382600 /nfs/dbraw/zinc/38/26/00/521382600.db2.gz VWNXOZYRYCTOFN-UHFFFAOYSA-N 0 0 442.443 3.961 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CC)S(=O)(=O)c2ccccc2)c(C)n1CC ZINC000036027541 521388030 /nfs/dbraw/zinc/38/80/30/521388030.db2.gz VWHSWKAKRCZNGI-KRWDZBQOSA-N 0 0 434.558 3.584 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COc1ccc(C(=O)OC)cc1OC ZINC000012760466 521391679 /nfs/dbraw/zinc/39/16/79/521391679.db2.gz RURWLLRQVCRTLU-UHFFFAOYSA-N 0 0 435.498 3.608 50 0 IHAARN CCOC(=O)c1c2c(sc1/N=c1\oc3ccc(OC)cc3cc1C(N)=O)CCCC2 ZINC000017297465 521414509 /nfs/dbraw/zinc/41/45/09/521414509.db2.gz HHXRXTQAFIXJHY-GFMRDNFCSA-N 0 0 426.494 3.890 50 0 IHAARN CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000012814509 521445226 /nfs/dbraw/zinc/44/52/26/521445226.db2.gz CXYQVCZBNOXHSK-HNNXBMFYSA-N 0 0 440.529 3.507 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2c(C)noc2C)c1 ZINC000012806758 521498128 /nfs/dbraw/zinc/49/81/28/521498128.db2.gz GKPIZGLJFWPSAK-UHFFFAOYSA-N 0 0 443.525 3.696 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012895807 521523938 /nfs/dbraw/zinc/52/39/38/521523938.db2.gz NLCVHSUZNSNXBE-UHFFFAOYSA-N 0 0 428.554 3.613 50 0 IHAARN CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1cnccn1 ZINC000012735576 521609821 /nfs/dbraw/zinc/60/98/21/521609821.db2.gz ZUDIVXFCAUKBFF-UHFFFAOYSA-N 0 0 443.481 3.660 50 0 IHAARN CCOC(=O)c1sc2ncnc(OCC(=O)N[C@H]3CCCc4ccccc43)c2c1C ZINC000002645452 521620033 /nfs/dbraw/zinc/62/00/33/521620033.db2.gz MXQKEDGSSQRQOA-INIZCTEOSA-N 0 0 425.510 3.749 50 0 IHAARN CCCn1c(CSc2cnc3ccccc3n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000040066723 521630767 /nfs/dbraw/zinc/63/07/67/521630767.db2.gz RFKVBEUSJVGVKL-UHFFFAOYSA-N 0 0 441.582 3.932 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)COc3ccccc3)cc(=O)n21 ZINC000021797312 521663590 /nfs/dbraw/zinc/66/35/90/521663590.db2.gz PEFBJMWHSHWEQE-UHFFFAOYSA-N 0 0 449.536 3.611 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)c1ccc(F)cc1 ZINC000035993214 521704476 /nfs/dbraw/zinc/70/44/76/521704476.db2.gz GBZLJBNCXPMRMB-UHFFFAOYSA-N 0 0 432.492 3.699 50 0 IHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1 ZINC000035949498 521739366 /nfs/dbraw/zinc/73/93/66/521739366.db2.gz FCRQRYNRVZLFSD-QHCPKHFHSA-N 0 0 436.556 3.659 50 0 IHAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(CCC(C)C)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000036018959 521752609 /nfs/dbraw/zinc/75/26/09/521752609.db2.gz OYTHIZGFRHDNBY-SFHVURJKSA-N 0 0 448.585 3.737 50 0 IHAARN CCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 ZINC000012789959 521767455 /nfs/dbraw/zinc/76/74/55/521767455.db2.gz IBSQUJOMYTYRSE-SFHVURJKSA-N 0 0 438.553 3.791 50 0 IHAARN CNC(=O)[C@H]1Cc2ccccc2CN1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000012809135 521774754 /nfs/dbraw/zinc/77/47/54/521774754.db2.gz CIMPRMJDMFROSV-QGZVFWFLSA-N 0 0 425.583 3.608 50 0 IHAARN CCSc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021911021 521790608 /nfs/dbraw/zinc/79/06/08/521790608.db2.gz UJMMWJNGODOKLF-UHFFFAOYSA-N 0 0 444.582 3.666 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccccc1 ZINC000012418894 521822006 /nfs/dbraw/zinc/82/20/06/521822006.db2.gz XWPPZAWXDBTKTQ-HXUWFJFHSA-N 0 0 436.943 3.728 50 0 IHAARN COC(=O)c1cc(CNC(=O)c2cccc(F)c2)cc(NC(=O)c2ccccc2OC)c1 ZINC000011996190 521854942 /nfs/dbraw/zinc/85/49/42/521854942.db2.gz RRVSKCORESMWNJ-UHFFFAOYSA-N 0 0 436.439 3.803 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000012556243 521862604 /nfs/dbraw/zinc/86/26/04/521862604.db2.gz PALXPLGOONPYCK-SFHVURJKSA-N 0 0 442.991 3.510 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 ZINC000022515427 521862959 /nfs/dbraw/zinc/86/29/59/521862959.db2.gz DIVLHYQRJGMHFG-QGZVFWFLSA-N 0 0 431.964 3.699 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000012821653 521869808 /nfs/dbraw/zinc/86/98/08/521869808.db2.gz KIAWFZKEWWQNLA-UHFFFAOYSA-N 0 0 443.975 3.843 50 0 IHAARN CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000021360881 521877074 /nfs/dbraw/zinc/87/70/74/521877074.db2.gz HTADNEJBMODNTM-UHFFFAOYSA-N 0 0 431.540 3.692 50 0 IHAARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)ccc1OC(C)=O ZINC000012364627 521921636 /nfs/dbraw/zinc/92/16/36/521921636.db2.gz CIILPBQQAUVACQ-JCMHNJIXSA-N 0 0 444.487 3.708 50 0 biogenic IHAARN COc1cc(C=CC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc(OC)c1OC ZINC000016689607 521978294 /nfs/dbraw/zinc/97/82/94/521978294.db2.gz WDYVWNCCTJMLGP-HJWRWDBZSA-N 0 0 437.492 3.752 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(OCCN(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000022011552 521988058 /nfs/dbraw/zinc/98/80/58/521988058.db2.gz UCPLPHZCOGMZKK-UHFFFAOYSA-N 0 0 426.941 3.773 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 ZINC000012600205 521994981 /nfs/dbraw/zinc/99/49/81/521994981.db2.gz DCJXRYCAXQVYMJ-JOCHJYFZSA-N 0 0 448.972 3.701 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000012753438 521996349 /nfs/dbraw/zinc/99/63/49/521996349.db2.gz QMKTXBFKXKYSHT-UHFFFAOYSA-N 0 0 441.534 3.737 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1OC ZINC000012799317 522024620 /nfs/dbraw/zinc/02/46/20/522024620.db2.gz OMZSYHCXUBRWFX-ZDUSSCGKSA-N 0 0 444.372 3.982 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000022421296 522043581 /nfs/dbraw/zinc/04/35/81/522043581.db2.gz SBKNQBVGMFPASY-OALUTQOASA-N 0 0 438.572 3.910 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccccc1 ZINC000012388903 522058351 /nfs/dbraw/zinc/05/83/51/522058351.db2.gz OZVUZZIWFCDKKH-UHFFFAOYSA-N 0 0 442.537 3.845 50 0 IHAARN COc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc(OC)c1Br ZINC000012820914 522082822 /nfs/dbraw/zinc/08/28/22/522082822.db2.gz IMYJXBAQPSLOGY-UHFFFAOYSA-N 0 0 443.301 3.506 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000015882843 522123440 /nfs/dbraw/zinc/12/34/40/522123440.db2.gz HXHNMDOUXWXPQX-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN COC(=O)c1ccc(Nc2nc3c(nc(C)n3-c3ccc(C(=O)OC)cc3)c(C)n2)cc1 ZINC000033268317 522136515 /nfs/dbraw/zinc/13/65/15/522136515.db2.gz CESYYKXCNYMWNI-UHFFFAOYSA-N 0 0 431.452 3.749 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000012747508 522178011 /nfs/dbraw/zinc/17/80/11/522178011.db2.gz WIZMOSRBFRXYSZ-FQEVSTJZSA-N 0 0 444.487 3.715 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000033141786 522239367 /nfs/dbraw/zinc/23/93/67/522239367.db2.gz FDCNQAHPYRDFSV-UHFFFAOYSA-N 0 0 430.507 3.612 50 0 IHAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1C ZINC000012895887 522270051 /nfs/dbraw/zinc/27/00/51/522270051.db2.gz UAJZJVWAGVOBSO-UHFFFAOYSA-N 0 0 436.493 3.601 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000015882812 522281034 /nfs/dbraw/zinc/28/10/34/522281034.db2.gz NYTZUMYCWYNNEB-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1C ZINC000013121165 522284450 /nfs/dbraw/zinc/28/44/50/522284450.db2.gz IHEYZCLEXKQGDU-CYBMUJFWSA-N 0 0 432.322 3.611 50 0 IHAARN COC(=O)c1cn(CC(=O)N(C)Cc2cc(Br)ccc2OC)c2ccccc12 ZINC000020923127 522309806 /nfs/dbraw/zinc/30/98/06/522309806.db2.gz MNTJDABGHQNELP-UHFFFAOYSA-N 0 0 445.313 3.858 50 0 IHAARN COc1cc(CC(=O)N2CCO[C@H](COc3ccc(Cl)c(C)c3)C2)cc(OC)c1OC ZINC000022649492 522315853 /nfs/dbraw/zinc/31/58/53/522315853.db2.gz NBPIMZMJJIYNCD-SFHVURJKSA-N 0 0 449.931 3.523 50 0 IHAARN COC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)c2ccccc12 ZINC000022312115 522320305 /nfs/dbraw/zinc/32/03/05/522320305.db2.gz JYWNKXPBCNHDPQ-UHFFFAOYSA-N 0 0 427.888 3.557 50 0 IHAARN COc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 ZINC000012885603 522426845 /nfs/dbraw/zinc/42/68/45/522426845.db2.gz VQOLRSWXWJCCIW-UHFFFAOYSA-N 0 0 445.475 3.822 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012852217 522434091 /nfs/dbraw/zinc/43/40/91/522434091.db2.gz XRBOHEJCAXBAOG-MSOLQXFVSA-N 0 0 447.576 3.673 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012934283 522449793 /nfs/dbraw/zinc/44/97/93/522449793.db2.gz CPDMDOVYKVRICN-HNNXBMFYSA-N 0 0 425.578 3.994 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035990657 522468195 /nfs/dbraw/zinc/46/81/95/522468195.db2.gz FRLAJADJLKFUQQ-UHFFFAOYSA-N 0 0 436.903 3.587 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000036006083 522469266 /nfs/dbraw/zinc/46/92/66/522469266.db2.gz XHVNLOGCQUBRCR-UHFFFAOYSA-N 0 0 444.514 3.870 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000035990251 522469318 /nfs/dbraw/zinc/46/93/18/522469318.db2.gz JRGMSYMSZYMKJR-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN CCc1nc2sc([C@H](c3ccc(CC)cc3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853646 522537039 /nfs/dbraw/zinc/53/70/39/522537039.db2.gz CZOZWELGKMPWMN-SFHVURJKSA-N 0 0 428.558 3.596 50 0 IHAARN COc1cc(NC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc(OC)c1OC ZINC000012407991 522652614 /nfs/dbraw/zinc/65/26/14/522652614.db2.gz YHGWNKOREXABGQ-IBGZPJMESA-N 0 0 430.526 3.728 50 0 IHAARN COc1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc(OC)c1 ZINC000012906782 522677966 /nfs/dbraw/zinc/67/79/66/522677966.db2.gz OEICBGUCXVTVOS-UHFFFAOYSA-N 0 0 427.507 3.842 50 0 IHAARN CCc1nn(CCCC(=O)NCCc2ccc(Cl)cc2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862331 522704269 /nfs/dbraw/zinc/70/42/69/522704269.db2.gz MMKFIURFCJKPHV-UHFFFAOYSA-N 0 0 440.931 3.906 50 0 IHAARN CCc1nnc(-c2cn(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc23)o1 ZINC000035422964 522722020 /nfs/dbraw/zinc/72/20/20/522722020.db2.gz QNHFBBAILSSMCF-UHFFFAOYSA-N 0 0 436.468 3.918 50 0 IHAARN COCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000035889871 522749207 /nfs/dbraw/zinc/74/92/07/522749207.db2.gz UMMHUHFHGIRULP-UHFFFAOYSA-N 0 0 430.552 3.646 50 0 IHAARN CN(CCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 ZINC000017826992 522760961 /nfs/dbraw/zinc/76/09/61/522760961.db2.gz FCTHVMDIXUIHIT-UHFFFAOYSA-N 0 0 438.578 3.829 50 0 IHAARN COCc1c(C(=O)N(C)CCc2ccccn2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000011911465 522897367 /nfs/dbraw/zinc/89/73/67/522897367.db2.gz MPRCNOQGYJMILS-UHFFFAOYSA-N 0 0 448.552 3.555 50 0 IHAARN COCc1c(C(=O)NCCc2ccc(OC)cc2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014999728 522899181 /nfs/dbraw/zinc/89/91/81/522899181.db2.gz DXCPARQPDJXHOA-UHFFFAOYSA-N 0 0 449.536 3.518 50 0 IHAARN CN(CCOc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012692369 522908657 /nfs/dbraw/zinc/90/86/57/522908657.db2.gz AWWUNPNKYGUROG-UHFFFAOYSA-N 0 0 427.932 3.949 50 0 IHAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1Cl ZINC000020895760 522931981 /nfs/dbraw/zinc/93/19/81/522931981.db2.gz HUPYVPNJJDFDNN-SFHVURJKSA-N 0 0 447.900 3.569 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CCSC)C(=O)Nc1ccccc1)CC2 ZINC000012894404 523029333 /nfs/dbraw/zinc/02/93/33/523029333.db2.gz DIKZOCUTKMGGCD-IBGZPJMESA-N 0 0 443.569 3.532 50 0 biogenic IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 ZINC000035392648 523041242 /nfs/dbraw/zinc/04/12/42/523041242.db2.gz PYOFGPRWPQTLNV-RUZDIDTESA-N 0 0 445.519 4.000 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(F)c1)c1cc(OC)ccc1n2C ZINC000033287517 523103491 /nfs/dbraw/zinc/10/34/91/523103491.db2.gz XQSKRQYFMQQMHI-UHFFFAOYSA-N 0 0 440.500 3.787 50 0 IHAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1=O ZINC000012677316 523105662 /nfs/dbraw/zinc/10/56/62/523105662.db2.gz TWYABRFPMGVMSJ-LJQANCHMSA-N 0 0 448.548 3.547 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020977277 523108899 /nfs/dbraw/zinc/10/88/99/523108899.db2.gz LYMQRFMODFYEKO-UHFFFAOYSA-N 0 0 441.553 3.786 50 0 IHAARN CCn1c(C)c(C(=O)CN(CC(C)C)C(=O)c2ccc(OC)cc2)c(C)c1C(=O)OC ZINC000036018601 523122499 /nfs/dbraw/zinc/12/24/99/523122499.db2.gz CAVMONRFWKLOMY-UHFFFAOYSA-N 0 0 428.529 3.901 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000021688005 523164648 /nfs/dbraw/zinc/16/46/48/523164648.db2.gz SVVVZYNQFIHINM-GOSISDBHSA-N 0 0 437.565 3.930 50 0 IHAARN CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020677218 523191091 /nfs/dbraw/zinc/19/10/91/523191091.db2.gz YZMFNUSTNDUIQT-UHFFFAOYSA-N 0 0 439.947 3.626 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC ZINC000012583613 523195543 /nfs/dbraw/zinc/19/55/43/523195543.db2.gz UNPAWMUCSBEWBD-OAHLLOKOSA-N 0 0 449.536 3.828 50 0 IHAARN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012920440 523225623 /nfs/dbraw/zinc/22/56/23/523225623.db2.gz BUZXJVOTTJUOCA-UHFFFAOYSA-N 0 0 447.000 3.888 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21 ZINC000012527279 523277738 /nfs/dbraw/zinc/27/77/38/523277738.db2.gz VZVNSFQVZHEROX-CQSZACIVSA-N 0 0 440.525 3.725 50 0 IHAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c(OC)c1 ZINC000012415220 523282922 /nfs/dbraw/zinc/28/29/22/523282922.db2.gz NFVAQAFMMKGNPQ-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864401 523291435 /nfs/dbraw/zinc/29/14/35/523291435.db2.gz YKPLGEKSOMJJSH-DEOSSOPVSA-N 0 0 427.545 3.838 50 0 IHAARN COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678107 523293578 /nfs/dbraw/zinc/29/35/78/523293578.db2.gz OZKVDGWYQUFMGW-XMMPIXPASA-N 0 0 426.561 3.516 50 0 IHAARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCN(C)CC2)c2ccccc21 ZINC000020438987 523302105 /nfs/dbraw/zinc/30/21/05/523302105.db2.gz RTERSQRREJPVDL-QJOMJCCJSA-N 0 0 430.552 3.515 50 0 IHAARN COCCCN1CCn2c3ccc(NC(=O)c4ccc(-n5cccc5)cc4)cc3nc2C1 ZINC000021800198 523304990 /nfs/dbraw/zinc/30/49/90/523304990.db2.gz SESRIEVSWCVKBT-UHFFFAOYSA-N 0 0 429.524 3.931 50 0 IHAARN COCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C)cc1C ZINC000021855388 523354008 /nfs/dbraw/zinc/35/40/08/523354008.db2.gz QKLCPCIRSJJTRP-AREMUKBSSA-N 0 0 446.551 3.739 50 0 IHAARN CN(Cc1ccco1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000012782892 523426498 /nfs/dbraw/zinc/42/64/98/523426498.db2.gz LVVWLPJVHQJKCW-UHFFFAOYSA-N 0 0 437.496 3.928 50 0 IHAARN COC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 ZINC000012913083 523467528 /nfs/dbraw/zinc/46/75/28/523467528.db2.gz WYBWIFYKYGHITP-UHFFFAOYSA-N 0 0 443.525 3.530 50 0 IHAARN COc1ccc(Br)cc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012860226 523496157 /nfs/dbraw/zinc/49/61/57/523496157.db2.gz FKZBRUQMLRWVDG-AWEZNQCLSA-N 0 0 446.345 3.653 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035506633 523499096 /nfs/dbraw/zinc/49/90/96/523499096.db2.gz MKEBVSUJLZHQSC-INIZCTEOSA-N 0 0 437.721 3.780 50 0 IHAARN CC[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)OC ZINC000000720411 523552572 /nfs/dbraw/zinc/55/25/72/523552572.db2.gz SPEZWJOIRKUOFO-MAODMQOUSA-N 0 0 429.266 3.904 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)CC2)cc1 ZINC000012740229 523574750 /nfs/dbraw/zinc/57/47/50/523574750.db2.gz MPHVXTQRGHIMOB-QFIPXVFZSA-N 0 0 440.515 3.710 50 0 IHAARN CN(Cc1nccs1)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012714681 523600823 /nfs/dbraw/zinc/60/08/23/523600823.db2.gz RAZILNCJZVLVSW-SFHVURJKSA-N 0 0 433.581 3.964 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000020726665 523611090 /nfs/dbraw/zinc/61/10/90/523611090.db2.gz ZUCJBLACTHVRBP-DOTOQJQBSA-N 0 0 425.316 3.571 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000012683700 523651997 /nfs/dbraw/zinc/65/19/97/523651997.db2.gz QPQILHDDLLHCNZ-UHFFFAOYSA-N 0 0 432.505 3.950 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F)C(=O)C(C)C ZINC000035961490 523652448 /nfs/dbraw/zinc/65/24/48/523652448.db2.gz TWNZTLUONBSUCM-QFIPXVFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035948342 523652961 /nfs/dbraw/zinc/65/29/61/523652961.db2.gz CTHLKCNBTRLZAQ-LJQANCHMSA-N 0 0 431.533 3.696 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1)C(=O)C1CC1 ZINC000035948819 523653465 /nfs/dbraw/zinc/65/34/65/523653465.db2.gz LBZGKQJIYBPAKK-QFIPXVFZSA-N 0 0 441.478 3.528 50 0 IHAARN COc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000021708355 523668256 /nfs/dbraw/zinc/66/82/56/523668256.db2.gz YHFWVKWDCZAHGE-LJQANCHMSA-N 0 0 439.562 3.650 50 0 IHAARN CCc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccc(OC)nn1 ZINC000024542187 523684009 /nfs/dbraw/zinc/68/40/09/523684009.db2.gz DIAZOLRTPLCDJB-UHFFFAOYSA-N 0 0 448.552 3.863 50 0 IHAARN CCn1ncc(CN(C)C(=O)Cn2nc(C)c3c2nc(C2CC2)cc3C(F)(F)F)c1C ZINC000020602451 523688679 /nfs/dbraw/zinc/68/86/79/523688679.db2.gz METRCVVCUVNNFP-UHFFFAOYSA-N 0 0 434.466 3.819 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccc(Cl)cc1Cl ZINC000012883841 523775345 /nfs/dbraw/zinc/77/53/45/523775345.db2.gz WYKDTSAJJJYAHR-VQHVLOKHSA-N 0 0 432.307 3.918 50 0 IHAARN CN1CCCN(C(=O)c2ccccc2I)c2nc3ccccc3nc21 ZINC000017364606 523804927 /nfs/dbraw/zinc/80/49/27/523804927.db2.gz SQXPMWFNCWMSBR-UHFFFAOYSA-N 0 0 444.276 3.721 50 0 IHAARN COCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678214 523809200 /nfs/dbraw/zinc/80/92/00/523809200.db2.gz OTJWWXHCOMEFMJ-DEOSSOPVSA-N 0 0 427.545 3.838 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000012248770 523826730 /nfs/dbraw/zinc/82/67/30/523826730.db2.gz ZQGCRGMAUCOBHV-UHFFFAOYSA-N 0 0 445.497 3.810 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)s1 ZINC000033078284 523850310 /nfs/dbraw/zinc/85/03/10/523850310.db2.gz MQLXZYGFWBMAPH-SFHVURJKSA-N 0 0 435.597 3.819 50 0 IHAARN COc1ccc(C2=NN(CC(=O)Nc3ccc(Br)cc3F)C(=O)CC2)cc1 ZINC000020729129 523878876 /nfs/dbraw/zinc/87/88/76/523878876.db2.gz ASMGLMIHFQHVLI-UHFFFAOYSA-N 0 0 434.265 3.562 50 0 IHAARN CN1CCN(C(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)[C@H](c2ccccc2)C1 ZINC000035511775 523880708 /nfs/dbraw/zinc/88/07/08/523880708.db2.gz BMJAQEIAIXCIQO-DEOSSOPVSA-N 0 0 427.552 3.873 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 ZINC000012849783 523886367 /nfs/dbraw/zinc/88/63/67/523886367.db2.gz XEFMATUEOYHSME-JQWIXIFHSA-N 0 0 433.887 3.646 50 0 IHAARN CCc1ccc(C(=O)NCCN2CCN(c3nc(Cc4ccc(C)cc4)ns3)CC2)cc1 ZINC000035167633 523889550 /nfs/dbraw/zinc/88/95/50/523889550.db2.gz WEUGVUHTIPANOU-UHFFFAOYSA-N 0 0 449.624 3.552 50 0 IHAARN COc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000020763344 523911613 /nfs/dbraw/zinc/91/16/13/523911613.db2.gz RMZYOEXIQCTOIP-UHFFFAOYSA-N 0 0 448.519 3.866 50 0 biogenic IHAARN COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(OC)c1 ZINC000012683270 523911758 /nfs/dbraw/zinc/91/17/58/523911758.db2.gz HKEZHBJXZYBWHY-UHFFFAOYSA-N 0 0 440.521 3.710 50 0 IHAARN CCc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000033011501 523934207 /nfs/dbraw/zinc/93/42/07/523934207.db2.gz CFVPMYASFWIYBD-UHFFFAOYSA-N 0 0 442.566 3.770 50 0 IHAARN COc1ccc(CCN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000012929019 523939500 /nfs/dbraw/zinc/93/95/00/523939500.db2.gz PBFXZPWQZTYZBJ-UHFFFAOYSA-N 0 0 425.529 3.649 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000035769919 523942093 /nfs/dbraw/zinc/94/20/93/523942093.db2.gz WMVMYGMRJIMBDY-KRWDZBQOSA-N 0 0 425.572 3.713 50 0 IHAARN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC000012198599 523952032 /nfs/dbraw/zinc/95/20/32/523952032.db2.gz TVWSHTHEYRPFLH-OAQYLSRUSA-N 0 0 436.581 3.567 50 0 IHAARN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000012279767 523955996 /nfs/dbraw/zinc/95/59/96/523955996.db2.gz OZDGTPMQKPEYSJ-QHCPKHFHSA-N 0 0 449.576 3.617 50 0 IHAARN COc1ccc(CCNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)cc1OC ZINC000021540125 523957767 /nfs/dbraw/zinc/95/77/67/523957767.db2.gz IRLKZGNBVFYGMW-UHFFFAOYSA-N 0 0 449.532 3.569 50 0 IHAARN CCc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCCCOC)cc1 ZINC000021855308 523964014 /nfs/dbraw/zinc/96/40/14/523964014.db2.gz QHHSYTFQJUJPRJ-SANMLTNESA-N 0 0 446.551 3.684 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600982 523964840 /nfs/dbraw/zinc/96/48/40/523964840.db2.gz RHMWNJIFCCSWJF-AVRDEDQJSA-N 0 0 436.943 3.895 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000021018824 523966545 /nfs/dbraw/zinc/96/65/45/523966545.db2.gz SRBMBKCBRDWHJH-QFIPXVFZSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN CO[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012456430 523969246 /nfs/dbraw/zinc/96/92/46/523969246.db2.gz SLEBBLOPUACUHD-HOFKKMOUSA-N 0 0 446.547 3.540 50 0 IHAARN CCc1ccc(OC[C@H](O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000012549746 524007379 /nfs/dbraw/zinc/00/73/79/524007379.db2.gz FUQNPAUXQYXOGU-OAQYLSRUSA-N 0 0 429.520 3.969 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 ZINC000015783978 524014140 /nfs/dbraw/zinc/01/41/40/524014140.db2.gz BRQIVXFDWCZAGE-UHFFFAOYSA-N 0 0 430.530 3.680 50 0 IHAARN COc1ccc(CN(Cc2ccco2)C(=O)NC2CCCCC2)cc1OS(C)(=O)=O ZINC000035776877 524016181 /nfs/dbraw/zinc/01/61/81/524016181.db2.gz RPWJIYMFFDJYKS-UHFFFAOYSA-N 0 0 436.530 3.671 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036001033 524022022 /nfs/dbraw/zinc/02/20/22/524022022.db2.gz ZVOJCLAGUSPNBH-UHFFFAOYSA-N 0 0 446.569 3.933 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c1C ZINC000036003474 524022804 /nfs/dbraw/zinc/02/28/04/524022804.db2.gz AKGTZWMBRRLJFG-INIZCTEOSA-N 0 0 438.480 3.934 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2c(OC)cccc2OC)s1 ZINC000012442948 524075336 /nfs/dbraw/zinc/07/53/36/524075336.db2.gz YSOHVMBWKMLIGF-UHFFFAOYSA-N 0 0 443.550 3.918 50 0 IHAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1OC ZINC000012311266 524112299 /nfs/dbraw/zinc/11/22/99/524112299.db2.gz MJAGEVZMGXZAES-IAGOWNOFSA-N 0 0 447.553 3.727 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054225 524121526 /nfs/dbraw/zinc/12/15/26/524121526.db2.gz BAPIGDJANZMSDK-PMACEKPBSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc(-n3cnnn3)c2)c2ccccc2)c1 ZINC000021230000 524155982 /nfs/dbraw/zinc/15/59/82/524155982.db2.gz MOCSOQSRIJUUHR-JOCHJYFZSA-N 0 0 427.464 3.816 50 0 IHAARN Cc1cccc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)c1 ZINC000033312921 524197018 /nfs/dbraw/zinc/19/70/18/524197018.db2.gz FVYATZMDGWYTSZ-LJQANCHMSA-N 0 0 426.582 3.705 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000012756278 524221932 /nfs/dbraw/zinc/22/19/32/524221932.db2.gz YAWZOWGARXGYNF-UHFFFAOYSA-N 0 0 429.908 3.693 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012564855 524223983 /nfs/dbraw/zinc/22/39/83/524223983.db2.gz XONOVODJMUSHHI-OAQYLSRUSA-N 0 0 443.931 3.567 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659320 524229930 /nfs/dbraw/zinc/22/99/30/524229930.db2.gz KHCHXCXKGVUMLB-UHFFFAOYSA-N 0 0 445.884 3.967 50 0 IHAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012775455 524231360 /nfs/dbraw/zinc/23/13/60/524231360.db2.gz OVUXFPHQIBTWQS-UHFFFAOYSA-N 0 0 432.542 3.539 50 0 IHAARN C[C@@H]1CCCN(Cc2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)C1 ZINC000012780285 524236775 /nfs/dbraw/zinc/23/67/75/524236775.db2.gz DODDPVIGRPVHIP-OAHLLOKOSA-N 0 0 432.615 3.927 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847566 524253252 /nfs/dbraw/zinc/25/32/52/524253252.db2.gz GOTUYZQKTHVJJQ-AWEZNQCLSA-N 0 0 436.339 3.867 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000013128479 524268632 /nfs/dbraw/zinc/26/86/32/524268632.db2.gz VTLBPCZMJYAVIV-INIZCTEOSA-N 0 0 433.537 3.853 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012809511 524278471 /nfs/dbraw/zinc/27/84/71/524278471.db2.gz SKNYALDFXMTTEN-UHFFFAOYSA-N 0 0 427.932 3.564 50 0 IHAARN Cc1cccc(C)c1OCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1c(C)cccc1C ZINC000012289650 524307199 /nfs/dbraw/zinc/30/71/99/524307199.db2.gz GAXHQXXEYNUXTJ-FGZHOGPDSA-N 0 0 438.568 3.922 50 0 IHAARN COc1ccccc1C(=O)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 ZINC000012217981 524351738 /nfs/dbraw/zinc/35/17/38/524351738.db2.gz BPLVEJPXYGOHNG-UHFFFAOYSA-N 0 0 445.548 3.952 50 0 IHAARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O ZINC000020622749 524354268 /nfs/dbraw/zinc/35/42/68/524354268.db2.gz GVVJGAIVRUEBDZ-QFIPXVFZSA-N 0 0 445.441 3.915 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 ZINC000012623931 524355878 /nfs/dbraw/zinc/35/58/78/524355878.db2.gz SHPGRRNXEKAVBL-KDURUIRLSA-N 0 0 444.572 3.851 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2ncn(CC(=O)N(C)[C@H]2CCCc4ccccc42)c3=O)c1 ZINC000024094275 524358646 /nfs/dbraw/zinc/35/86/46/524358646.db2.gz XIEVXELLVMHNNE-QHCPKHFHSA-N 0 0 441.535 3.735 50 0 IHAARN COc1ccccc1CCC(=O)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012712862 524393172 /nfs/dbraw/zinc/39/31/72/524393172.db2.gz UQXBXHPOALEKCE-UHFFFAOYSA-N 0 0 446.551 3.869 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)C2CCC2)o1 ZINC000035809356 524415652 /nfs/dbraw/zinc/41/56/52/524415652.db2.gz LVVQGTWKAGOMFM-QHCPKHFHSA-N 0 0 438.568 3.967 50 0 IHAARN Cc1cc(C)cc(NC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000012340590 524424369 /nfs/dbraw/zinc/42/43/69/524424369.db2.gz HZBVCLVIIMJLGZ-GOSISDBHSA-N 0 0 449.338 3.971 50 0 IHAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N(C)CCc4ccccn4)c23)C1 ZINC000012544150 524437687 /nfs/dbraw/zinc/43/76/87/524437687.db2.gz JRPRBCVIKNBHIY-KRWDZBQOSA-N 0 0 437.613 3.722 50 0 IHAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022908139 524459698 /nfs/dbraw/zinc/45/96/98/524459698.db2.gz GLLDXQONVKNETO-NRFANRHFSA-N 0 0 435.549 3.611 50 0 IHAARN COc1ccccc1CNC(=O)CCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000020738979 524462097 /nfs/dbraw/zinc/46/20/97/524462097.db2.gz HHRHLKFYGCHJGF-UHFFFAOYSA-N 0 0 440.931 3.604 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012885588 524473246 /nfs/dbraw/zinc/47/32/46/524473246.db2.gz ZCZAKTXYTRHCCK-DHLKQENFSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN Cc1ccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000015722487 524499937 /nfs/dbraw/zinc/49/99/37/524499937.db2.gz VLJXYIQBDOPKAQ-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)n1 ZINC000011946886 524522518 /nfs/dbraw/zinc/52/25/18/524522518.db2.gz LEPGBKHESKDNPA-UHFFFAOYSA-N 0 0 425.514 3.805 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012999562 524529492 /nfs/dbraw/zinc/52/94/92/524529492.db2.gz MAPLJAVQSGZWLB-KRWDZBQOSA-N 0 0 434.989 3.878 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CS[C@H]2CCc3ccccc3NC2=O)CC1 ZINC000012322127 524545876 /nfs/dbraw/zinc/54/58/76/524545876.db2.gz PYJFJINKPUXREL-NRFANRHFSA-N 0 0 425.554 3.680 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1C ZINC000035505070 524548494 /nfs/dbraw/zinc/54/84/94/524548494.db2.gz GGTIBBDZPKJSTK-LJQANCHMSA-N 0 0 435.597 3.873 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc2n1c1ccsc1c(=O)n2CC(C)C ZINC000035531763 524600122 /nfs/dbraw/zinc/60/01/22/524600122.db2.gz PKVTTZSDCVZQOK-UHFFFAOYSA-N 0 0 443.554 3.501 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000058192008 524621819 /nfs/dbraw/zinc/62/18/19/524621819.db2.gz VJVBMRAZTRHHMF-QFIPXVFZSA-N 0 0 436.533 3.758 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C3CC3)n2C)cc1 ZINC000012678574 524647136 /nfs/dbraw/zinc/64/71/36/524647136.db2.gz YMRJGCICONMZJV-UHFFFAOYSA-N 0 0 437.525 3.684 50 0 IHAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(OC)c(OC)c1OC)C2 ZINC000021038509 524651285 /nfs/dbraw/zinc/65/12/85/524651285.db2.gz PAEKJFLNORIRCI-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN C[C@@H](CNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032987536 524653220 /nfs/dbraw/zinc/65/32/20/524653220.db2.gz NUHHIUFFJWLMJM-AWEZNQCLSA-N 0 0 444.944 3.880 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000012762967 524659446 /nfs/dbraw/zinc/65/94/46/524659446.db2.gz LKAXRLXMUFQNAO-RYUDHWBXSA-N 0 0 444.887 3.668 50 0 IHAARN COc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1OC ZINC000033141780 524663637 /nfs/dbraw/zinc/66/36/37/524663637.db2.gz YAQKLIAXLHOUHN-UHFFFAOYSA-N 0 0 432.523 3.843 50 0 IHAARN COc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523323 524766654 /nfs/dbraw/zinc/76/66/54/524766654.db2.gz YZKSAECWRUMHLY-OAQYLSRUSA-N 0 0 436.537 3.994 50 0 IHAARN Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC4CCCCC4)nc23)c1C ZINC000035425296 524788875 /nfs/dbraw/zinc/78/88/75/524788875.db2.gz SJVZVLPKADOKOE-UHFFFAOYSA-N 0 0 445.523 3.902 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c1 ZINC000035403857 524831515 /nfs/dbraw/zinc/83/15/15/524831515.db2.gz CTTWJWMFCKAUGH-UHFFFAOYSA-N 0 0 446.551 3.603 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nnc(-c3cccnc3)o2)no1 ZINC000021355674 524856747 /nfs/dbraw/zinc/85/67/47/524856747.db2.gz AHRXJDBVOIYHHQ-UHFFFAOYSA-N 0 0 440.460 3.826 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)c1 ZINC000020946558 524857498 /nfs/dbraw/zinc/85/74/98/524857498.db2.gz HXYFPTQQWKTGNN-UHFFFAOYSA-N 0 0 439.537 3.837 50 0 IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000035851936 524877798 /nfs/dbraw/zinc/87/77/98/524877798.db2.gz CZMKBYDMJFYOHV-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000012776781 524901226 /nfs/dbraw/zinc/90/12/26/524901226.db2.gz UAYHAOWEORBWKC-AWEZNQCLSA-N 0 0 441.553 3.622 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036059354 524917017 /nfs/dbraw/zinc/91/70/17/524917017.db2.gz YGZQXTIVBVBSQZ-RTWAWAEBSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000012361756 524919806 /nfs/dbraw/zinc/91/98/06/524919806.db2.gz HPXJPFNHTXEYEE-NRFANRHFSA-N 0 0 434.464 3.577 50 0 IHAARN C[C@@H](Cc1cccnc1)NC(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000012447986 524925642 /nfs/dbraw/zinc/92/56/42/524925642.db2.gz QMGBPEHPKFTXSB-IBGZPJMESA-N 0 0 444.535 3.521 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2cc(F)ccc2F)c1 ZINC000012437879 524926866 /nfs/dbraw/zinc/92/68/66/524926866.db2.gz ZVEBBPKQWDWPHF-UHFFFAOYSA-N 0 0 444.478 3.683 50 0 IHAARN COc1ccc(OC[C@H](O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 ZINC000024089979 524973639 /nfs/dbraw/zinc/97/36/39/524973639.db2.gz GODQYGZAUTZNCG-INIZCTEOSA-N 0 0 440.546 3.988 50 0 IHAARN Cc1ccc(N2N=C(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)NCC2=O)cc1 ZINC000032945607 524988128 /nfs/dbraw/zinc/98/81/28/524988128.db2.gz HCSGJPAWLFELLV-UHFFFAOYSA-N 0 0 442.479 3.527 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 ZINC000022906746 525004383 /nfs/dbraw/zinc/00/43/83/525004383.db2.gz OUECEQOMVUDCFC-DEOSSOPVSA-N 0 0 428.536 3.553 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(F)cc2)cc1 ZINC000033141763 525008243 /nfs/dbraw/zinc/00/82/43/525008243.db2.gz QVCCXZHXIVCSII-UHFFFAOYSA-N 0 0 434.514 3.651 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000012876908 525027221 /nfs/dbraw/zinc/02/72/21/525027221.db2.gz QPNQSJNDHHUNDA-UHFFFAOYSA-N 0 0 443.525 3.962 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)NCc1ccccc1Cl)nc2C(C)C ZINC000012229123 525033617 /nfs/dbraw/zinc/03/36/17/525033617.db2.gz TVIJBUYKKQHGIU-UHFFFAOYSA-N 0 0 449.942 3.984 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(Cl)c1 ZINC000035430749 525050173 /nfs/dbraw/zinc/05/01/73/525050173.db2.gz MLPGVVQVTMDCQH-UHFFFAOYSA-N 0 0 438.959 3.615 50 0 biogenic IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@H](C)O1 ZINC000017247223 525050256 /nfs/dbraw/zinc/05/02/56/525050256.db2.gz VKGIXEGBGZJLPA-GASCZTMLSA-N 0 0 430.551 3.952 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000022848229 525054838 /nfs/dbraw/zinc/05/48/38/525054838.db2.gz MVQPDBXRFASIEP-UHFFFAOYSA-N 0 0 440.521 3.552 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)cc1 ZINC000012406616 525065598 /nfs/dbraw/zinc/06/55/98/525065598.db2.gz BSEJCRKKPCZMEV-UHFFFAOYSA-N 0 0 435.505 3.907 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2cc(C)ccc2N(C)S3(=O)=O)cc1 ZINC000033039671 525082885 /nfs/dbraw/zinc/08/28/85/525082885.db2.gz ZLQJIWMEIXVPFD-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2C)c2cccs2)cc1 ZINC000017136053 525091323 /nfs/dbraw/zinc/09/13/23/525091323.db2.gz UONJPFHMZKHPJN-NRFANRHFSA-N 0 0 445.562 3.775 50 0 IHAARN Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)N1CCCCCC1 ZINC000012733503 525097111 /nfs/dbraw/zinc/09/71/11/525097111.db2.gz OVAOJEIKCPWKBL-UHFFFAOYSA-N 0 0 427.526 3.882 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c(C)c1 ZINC000021887288 525135249 /nfs/dbraw/zinc/13/52/49/525135249.db2.gz BEXVJFXCCXINQB-UHFFFAOYSA-N 0 0 431.540 3.820 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000012809650 525159982 /nfs/dbraw/zinc/15/99/82/525159982.db2.gz PBDRIZYCSVACTD-UHFFFAOYSA-N 0 0 426.460 3.983 50 0 IHAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCCC3)cc2Cl)CC1 ZINC000012092066 525163887 /nfs/dbraw/zinc/16/38/87/525163887.db2.gz FKEAKKWTAXGGLE-UHFFFAOYSA-N 0 0 428.982 3.595 50 0 IHAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012932602 525164261 /nfs/dbraw/zinc/16/42/61/525164261.db2.gz OIBCNRKILKAZMA-SFHVURJKSA-N 0 0 429.567 3.640 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1 ZINC000022687038 525184866 /nfs/dbraw/zinc/18/48/66/525184866.db2.gz JXEOYUOTNHXNDL-OAQYLSRUSA-N 0 0 441.915 3.807 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)ccc21 ZINC000015020714 525185766 /nfs/dbraw/zinc/18/57/66/525185766.db2.gz XUNUYWWGGQUTEH-QGZVFWFLSA-N 0 0 441.578 3.638 50 0 IHAARN CS(=O)(=O)NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012569518 525189392 /nfs/dbraw/zinc/18/93/92/525189392.db2.gz VDWJJCDBGCIENZ-UHFFFAOYSA-N 0 0 443.956 3.709 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C(C)C)cc1OC ZINC000035961548 525240284 /nfs/dbraw/zinc/24/02/84/525240284.db2.gz AERSZFZPEDGGJK-FQEVSTJZSA-N 0 0 441.503 3.635 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C(C)C)cc1OC ZINC000035948393 525241427 /nfs/dbraw/zinc/24/14/27/525241427.db2.gz ILNFMYSDUHWANS-KRWDZBQOSA-N 0 0 429.542 3.557 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012806052 525254705 /nfs/dbraw/zinc/25/47/05/525254705.db2.gz GBBXFMUCACVKIV-ZDUSSCGKSA-N 0 0 432.523 3.796 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC2CC2)c(OC)c1 ZINC000036061936 525257044 /nfs/dbraw/zinc/25/70/44/525257044.db2.gz ZXKSDACQDZXVSW-VQTJNVASSA-N 0 0 442.943 3.739 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062021 525257188 /nfs/dbraw/zinc/25/71/88/525257188.db2.gz LHLGZKMIKQXFQX-SFTDATJTSA-N 0 0 442.531 3.861 50 0 IHAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000018082419 525280831 /nfs/dbraw/zinc/28/08/31/525280831.db2.gz OHNHTPFJJGKPLR-JZXOWHBKSA-N 0 0 438.530 3.549 50 0 IHAARN COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F ZINC000012758804 525301192 /nfs/dbraw/zinc/30/11/92/525301192.db2.gz YBILBPGMLCWUOD-VMEIHUARSA-N 0 0 446.544 3.724 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CCc2nnc3ccc(-c4ccccc4)nn32)cc1OC ZINC000033309522 525303812 /nfs/dbraw/zinc/30/38/12/525303812.db2.gz JYYPYDUADBLVNE-INIZCTEOSA-N 0 0 431.496 3.619 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc(NCc4ccco4)s3)n2)cc1 ZINC000012550133 525326319 /nfs/dbraw/zinc/32/63/19/525326319.db2.gz MHKZSNUJCCFALT-UHFFFAOYSA-N 0 0 426.531 3.855 50 0 IHAARN Cc1[nH]c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c(C)c1C(=O)OC(C)C ZINC000022301151 525412831 /nfs/dbraw/zinc/41/28/31/525412831.db2.gz GBJYBKTUHXJQLO-CHWSQXEVSA-N 0 0 434.562 3.515 50 0 IHAARN COc1ccc([C@H]2CCCN2CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000035269017 525413477 /nfs/dbraw/zinc/41/34/77/525413477.db2.gz AYGFGNSZNSXOQQ-HYBUGGRVSA-N 0 0 437.584 3.746 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059729 525421961 /nfs/dbraw/zinc/42/19/61/525421961.db2.gz RBZIIQFVSVQXKF-NHCUHLMSSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)c2c1 ZINC000015770181 525491945 /nfs/dbraw/zinc/49/19/45/525491945.db2.gz SHZCOSPMGDAIJP-UHFFFAOYSA-N 0 0 435.553 3.757 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)c2nsnc21 ZINC000021883019 525495910 /nfs/dbraw/zinc/49/59/10/525495910.db2.gz DWJGEDHVKBWILE-UHFFFAOYSA-N 0 0 449.945 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000021660000 525514822 /nfs/dbraw/zinc/51/48/22/525514822.db2.gz ZQOBMNVFNLWIRL-UHFFFAOYSA-N 0 0 425.489 3.584 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC000012822211 525519897 /nfs/dbraw/zinc/51/98/97/525519897.db2.gz YQYXOVMTXAEEIC-DEOSSOPVSA-N 0 0 449.576 3.697 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033273224 525524769 /nfs/dbraw/zinc/52/47/69/525524769.db2.gz LYRQWDGHUHSJLU-UHFFFAOYSA-N 0 0 442.566 3.667 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1C ZINC000035596932 525533691 /nfs/dbraw/zinc/53/36/91/525533691.db2.gz HCIOBQZQFHDJPC-GOSISDBHSA-N 0 0 429.517 3.985 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000012925885 525540976 /nfs/dbraw/zinc/54/09/76/525540976.db2.gz VJNAEFNGIBYOJB-UHFFFAOYSA-N 0 0 428.485 3.541 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000012762250 525552662 /nfs/dbraw/zinc/55/26/62/525552662.db2.gz NLFYBTLLXYUERB-UXHICEINSA-N 0 0 432.973 3.792 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccccc2)cc1 ZINC000020850663 525552836 /nfs/dbraw/zinc/55/28/36/525552836.db2.gz HERMLTSSJKEXPY-DEOSSOPVSA-N 0 0 434.561 3.990 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc21 ZINC000021277670 525553071 /nfs/dbraw/zinc/55/30/71/525553071.db2.gz KKXFHWLRPVQSIA-QGZVFWFLSA-N 0 0 433.371 3.890 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2cccc(C)c2)cc1 ZINC000021157026 525559287 /nfs/dbraw/zinc/55/92/87/525559287.db2.gz KZCNBYQDEIHADA-DEOSSOPVSA-N 0 0 434.561 3.735 50 0 IHAARN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000024391678 525561311 /nfs/dbraw/zinc/56/13/11/525561311.db2.gz LXESUMUVGPVDMU-UHFFFAOYSA-N 0 0 443.613 3.944 50 0 IHAARN Cc1c(C(=O)N2CCC[C@H]2CO)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012185897 525580190 /nfs/dbraw/zinc/58/01/90/525580190.db2.gz ORPVHCHBRNTKCO-INIZCTEOSA-N 0 0 435.553 3.733 50 0 IHAARN CSCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1nc2ccccc2[nH]1 ZINC000016645732 525586574 /nfs/dbraw/zinc/58/65/74/525586574.db2.gz QENMWMVAHKFVFL-IBGZPJMESA-N 0 0 437.521 3.967 50 0 biogenic IHAARN Cc1cc2c(C)cc(=O)[nH]c2c(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000012446763 525587600 /nfs/dbraw/zinc/58/76/00/525587600.db2.gz IHBZWGKVFIATCI-UHFFFAOYSA-N 0 0 428.901 3.785 50 0 biogenic,in-vitro IHAARN CSCC[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012547703 525587899 /nfs/dbraw/zinc/58/78/99/525587899.db2.gz JNRQGCJMVZMPGE-INIZCTEOSA-N 0 0 426.567 3.612 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000033268616 525606394 /nfs/dbraw/zinc/60/63/94/525606394.db2.gz CYSKVRJPWSWHHU-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1cccc(Cl)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535238 525606969 /nfs/dbraw/zinc/60/69/69/525606969.db2.gz LZPJSNKVJFRAMC-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000020614646 525628025 /nfs/dbraw/zinc/62/80/25/525628025.db2.gz QSRVDJKPXYTRMZ-FQEVSTJZSA-N 0 0 429.519 3.730 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012629904 525639134 /nfs/dbraw/zinc/63/91/34/525639134.db2.gz CRGVWDKSZLEOLE-UHFFFAOYSA-N 0 0 435.505 3.878 50 0 IHAARN Cc1ccc(SCc2cccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c2)c(C)c1 ZINC000012906575 525664735 /nfs/dbraw/zinc/66/47/35/525664735.db2.gz WSKDODSLNVFVEG-UHFFFAOYSA-N 0 0 437.609 3.632 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)cc(=O)n2o1 ZINC000035378583 525673759 /nfs/dbraw/zinc/67/37/59/525673759.db2.gz LAOUXKLNTWUGHX-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN COc1ccc2sc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)nc2c1 ZINC000020742993 525696686 /nfs/dbraw/zinc/69/66/86/525696686.db2.gz YPENNYWQDPALMP-UHFFFAOYSA-N 0 0 425.554 3.603 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3C)n2)c1 ZINC000015670453 525718448 /nfs/dbraw/zinc/71/84/48/525718448.db2.gz NSBSTEGNZIVSOL-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN CSCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000012763591 525719936 /nfs/dbraw/zinc/71/99/36/525719936.db2.gz MPLOWAZYWCNKEJ-UHFFFAOYSA-N 0 0 441.528 3.831 50 0 IHAARN COc1cccc(-c2nc(C(=O)N3CCN(Cc4ccccc4F)CC3)cs2)c1OC ZINC000012822975 525720738 /nfs/dbraw/zinc/72/07/38/525720738.db2.gz UUGOBOZNHLQAJI-UHFFFAOYSA-N 0 0 441.528 3.924 50 0 IHAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)Nc2cccc(F)c2)CCS3)c1 ZINC000012140629 525742964 /nfs/dbraw/zinc/74/29/64/525742964.db2.gz LFXMXDGQOZNZKP-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nn2)cc1 ZINC000035398189 525753356 /nfs/dbraw/zinc/75/33/56/525753356.db2.gz SNANRMALPKGZTF-HXUWFJFHSA-N 0 0 430.508 3.714 50 0 IHAARN COc1cccc(/C=C/C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1OC(F)F ZINC000012559472 525761796 /nfs/dbraw/zinc/76/17/96/525761796.db2.gz HXXHAIAVYUZYQM-DHZHZOJOSA-N 0 0 427.407 3.913 50 0 IHAARN Cc1ccc([C@@H](NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000057383278 525773298 /nfs/dbraw/zinc/77/32/98/525773298.db2.gz YXDDXHUACXORDP-AHWVRZQESA-N 0 0 448.588 3.894 50 0 IHAARN Cc1ccc(-c2csc3ncn(CCC(=O)NC(=O)NC4CCCC4)c(=O)c23)cc1C ZINC000012738291 525788394 /nfs/dbraw/zinc/78/83/94/525788394.db2.gz RFDHCHWOBAIIOB-UHFFFAOYSA-N 0 0 438.553 3.900 50 0 IHAARN COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(s2)c(C)ccc3OC)c1 ZINC000020743880 525792812 /nfs/dbraw/zinc/79/28/12/525792812.db2.gz YXOIKYBXWVNKKC-UHFFFAOYSA-N 0 0 441.553 3.601 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)co2)c(C)c1 ZINC000012823606 525812960 /nfs/dbraw/zinc/81/29/60/525812960.db2.gz YMBOHAOFDQFVPO-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN COc1cccc(C(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016960249 525818278 /nfs/dbraw/zinc/81/82/78/525818278.db2.gz NDVRADWQEDQADR-DEOSSOPVSA-N 0 0 434.515 3.523 50 0 IHAARN COc1cccc(C(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)c1OC ZINC000012442847 525838181 /nfs/dbraw/zinc/83/81/81/525838181.db2.gz PNWCUMHBIXLOMV-UHFFFAOYSA-N 0 0 429.523 3.657 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962178 525855983 /nfs/dbraw/zinc/85/59/83/525855983.db2.gz QUQVEDADFMNNQY-OAQYLSRUSA-N 0 0 425.916 3.895 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035963315 525858460 /nfs/dbraw/zinc/85/84/60/525858460.db2.gz NCRZGTCMOPWOPH-NRFANRHFSA-N 0 0 426.492 3.562 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035963307 525858812 /nfs/dbraw/zinc/85/88/12/525858812.db2.gz ISSBHXLXHANIOW-NRFANRHFSA-N 0 0 440.519 3.952 50 0 IHAARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)C5CCC5)CC4)n23)cc1 ZINC000034700649 525862642 /nfs/dbraw/zinc/86/26/42/525862642.db2.gz BANUYNFNRFKRFF-UHFFFAOYSA-N 0 0 426.524 3.702 50 0 IHAARN COc1cccc(CC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1 ZINC000035553137 525868706 /nfs/dbraw/zinc/86/87/06/525868706.db2.gz LXTBVCIOQULMJR-UHFFFAOYSA-N 0 0 432.524 3.904 50 0 IHAARN Cc1ccc(-c2noc(CCC(=O)N3CCCN(C)c4nc5ccccc5nc43)n2)cc1 ZINC000012783112 525874828 /nfs/dbraw/zinc/87/48/28/525874828.db2.gz BZGMWJNGASNFEK-UHFFFAOYSA-N 0 0 428.496 3.794 50 0 IHAARN COc1cccc(CCNC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000023332980 525898374 /nfs/dbraw/zinc/89/83/74/525898374.db2.gz SHNWRHQOZUKMSC-UHFFFAOYSA-N 0 0 426.469 3.657 50 0 biogenic IHAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021860500 525929903 /nfs/dbraw/zinc/92/99/03/525929903.db2.gz OTBLIWOIUCXXHT-AREMUKBSSA-N 0 0 446.551 3.909 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2-n2cccc2)cc1C ZINC000022518803 525932316 /nfs/dbraw/zinc/93/23/16/525932316.db2.gz TUVVAFGKMYVDGE-UHFFFAOYSA-N 0 0 426.524 3.637 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccccc1)nc2C ZINC000020563829 525934312 /nfs/dbraw/zinc/93/43/12/525934312.db2.gz XXXVPRYEPRDRHA-UHFFFAOYSA-N 0 0 429.524 3.604 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccc(C)cc1)nc2C ZINC000020563655 525935237 /nfs/dbraw/zinc/93/52/37/525935237.db2.gz CROBNTYHOPBISJ-IBGZPJMESA-N 0 0 429.524 3.693 50 0 IHAARN Cc1ccc(-n2nnn(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)c2=S)cc1 ZINC000012914060 525936373 /nfs/dbraw/zinc/93/63/73/525936373.db2.gz URYUHIZSDADEJP-UHFFFAOYSA-N 0 0 444.564 3.675 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCCc1ccc(Cl)cc1)nc2C ZINC000020563495 525936714 /nfs/dbraw/zinc/93/67/14/525936714.db2.gz FDXCMSPTKWOTMZ-UHFFFAOYSA-N 0 0 449.942 3.601 50 0 IHAARN COc1cccc(CNC(=O)CCN2c3cc(C)ccc3Oc3ncccc3C2=O)c1OC ZINC000015680012 525965385 /nfs/dbraw/zinc/96/53/85/525965385.db2.gz NCTNLTMRNQQPDH-UHFFFAOYSA-N 0 0 447.491 3.866 50 0 IHAARN Cc1ccc([C@H](NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000057383275 525968181 /nfs/dbraw/zinc/96/81/81/525968181.db2.gz YXDDXHUACXORDP-AZGAKELHSA-N 0 0 448.588 3.894 50 0 IHAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)c1 ZINC000012712135 525968933 /nfs/dbraw/zinc/96/89/33/525968933.db2.gz MNRNLTISENPRPZ-SFHVURJKSA-N 0 0 429.586 3.646 50 0 IHAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000012871367 525971530 /nfs/dbraw/zinc/97/15/30/525971530.db2.gz VXPBYAGBBKQUHI-UHFFFAOYSA-N 0 0 429.879 3.930 50 0 IHAARN COc1cccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c1 ZINC000016047538 525975999 /nfs/dbraw/zinc/97/59/99/525975999.db2.gz JOKSGVHCUOIMIT-UHFFFAOYSA-N 0 0 426.498 3.663 50 0 IHAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012525320 526002040 /nfs/dbraw/zinc/00/20/40/526002040.db2.gz RAZRSFIAJYYWCD-OAHLLOKOSA-N 0 0 444.582 3.857 50 0 IHAARN COc1cccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)c1 ZINC000021527847 526004598 /nfs/dbraw/zinc/00/45/98/526004598.db2.gz UWPZGJOLFAKJMY-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)OCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000022019282 526041720 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O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccc(Cl)cc1 ZINC000017297742 526432827 /nfs/dbraw/zinc/43/28/27/526432827.db2.gz IBAWKMBWVWOHNO-UHFFFAOYSA-N 0 0 449.732 3.838 50 0 IHAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 ZINC000012217351 526433592 /nfs/dbraw/zinc/43/35/92/526433592.db2.gz CIHZCWZUEMGZOW-NRFANRHFSA-N 0 0 437.971 3.754 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3ccccc3F)cc(=O)n12 ZINC000021633156 526455487 /nfs/dbraw/zinc/45/54/87/526455487.db2.gz ZYNJDRHUBSJDKP-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000020995494 526461588 /nfs/dbraw/zinc/46/15/88/526461588.db2.gz OCKIUKYPPCTAAT-FMQWLBJXSA-N 0 0 441.509 3.786 50 0 IHAARN O=C(NCCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1F)c1ccc(F)cc1 ZINC000012243004 526463451 /nfs/dbraw/zinc/46/34/51/526463451.db2.gz TWEBLEIDMIIDSM-QGZVFWFLSA-N 0 0 444.507 3.789 50 0 IHAARN O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(c2ccccc2F)CC1 ZINC000022480832 526469272 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527316839 /nfs/dbraw/zinc/31/68/39/527316839.db2.gz IAVQCPQGNYQGGO-MDZDMXLPSA-N 0 0 445.544 3.549 50 0 IHAARN O=C(Cc1cnn(-c2ccccc2)c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012884259 527328030 /nfs/dbraw/zinc/32/80/30/527328030.db2.gz YIVUMRVLXDAZKX-UHFFFAOYSA-N 0 0 449.514 3.880 50 0 IHAARN O=C(Nc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1)c1cccs1 ZINC000022462447 527328827 /nfs/dbraw/zinc/32/88/27/527328827.db2.gz VGLMPACYSZKHQW-UHFFFAOYSA-N 0 0 427.570 3.765 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995012 527351898 /nfs/dbraw/zinc/35/18/98/527351898.db2.gz XOEHSPODMRZXSJ-NRFANRHFSA-N 0 0 449.507 3.902 50 0 IHAARN O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2cccnc21)Nc1ccccc1C(F)(F)F ZINC000020356850 527352620 /nfs/dbraw/zinc/35/26/20/527352620.db2.gz SVULTXXTODLKFL-UHFFFAOYSA-N 0 0 446.429 3.721 50 0 IHAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527183 527416624 /nfs/dbraw/zinc/41/66/24/527416624.db2.gz PXNURAGHICDUCG-MQHNZPCDSA-N 0 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527522546 /nfs/dbraw/zinc/52/25/46/527522546.db2.gz UNZWADZYPWWLIO-UHFFFAOYSA-N 0 0 449.292 3.718 50 0 IHAARN O=C(Nc1nnc(SCc2ccccc2F)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000012140413 527536588 /nfs/dbraw/zinc/53/65/88/527536588.db2.gz UTIKVTSBWUDCMN-CQSZACIVSA-N 0 0 428.514 3.961 50 0 IHAARN O=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012508041 527554446 /nfs/dbraw/zinc/55/44/46/527554446.db2.gz LTIPHMMQRAIJDM-UHFFFAOYSA-N 0 0 426.338 3.798 50 0 IHAARN Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccc(Br)cc2)n1 ZINC000015729692 527557401 /nfs/dbraw/zinc/55/74/01/527557401.db2.gz MSFALZUUSZLHBN-UHFFFAOYSA-N 0 0 438.285 3.923 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc12 ZINC000020969414 527565931 /nfs/dbraw/zinc/56/59/31/527565931.db2.gz QVJDWVJGJZIVEN-CYBMUJFWSA-N 0 0 433.917 3.501 50 0 IHAARN OCC[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1F ZINC000020996479 527566595 /nfs/dbraw/zinc/56/65/95/527566595.db2.gz HPTKXHBGQGWEFY-JOCHJYFZSA-N 0 0 428.939 3.734 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cccc(F)c1F)CC(=O)N2 ZINC000015670629 527573932 /nfs/dbraw/zinc/57/39/32/527573932.db2.gz YORXSQGSXJVHIS-OAHLLOKOSA-N 0 0 436.397 3.924 50 0 IHAARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012735476 527606129 /nfs/dbraw/zinc/60/61/29/527606129.db2.gz UJFHDSSSLCGEFS-UHFFFAOYSA-N 0 0 448.507 3.682 50 0 IHAARN O=C(/C=C\c1cnc2ccccc2n1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000034760574 527659704 /nfs/dbraw/zinc/65/97/04/527659704.db2.gz WXUKSODXWPBECJ-UKKFYFCDSA-N 0 0 448.479 3.635 50 0 IHAARN O[C@@H](COc1ccc(Oc2ccccc2)cc1)Cn1nc(N2CCOCC2)sc1=S ZINC000058158003 527661595 /nfs/dbraw/zinc/66/15/95/527661595.db2.gz ABGODDZCJIPNEA-MRXNPFEDSA-N 0 0 445.566 3.743 50 0 IHAARN Cc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012583896 527666273 /nfs/dbraw/zinc/66/62/73/527666273.db2.gz GTAVAURNSXYNJW-UHFFFAOYSA-N 0 0 430.915 3.807 50 0 IHAARN Cc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3Cl)N(C)C)c(C)c12 ZINC000012736066 527683687 /nfs/dbraw/zinc/68/36/87/527683687.db2.gz SFZPRYZPAAEVSE-FQEVSTJZSA-N 0 0 427.980 3.899 50 0 IHAARN CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670477 535122256 /nfs/dbraw/zinc/12/22/56/535122256.db2.gz VITHXFFUGGZPLE-GOSISDBHSA-N 0 0 438.709 3.826 50 0 IHAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 ZINC000009282646 535550577 /nfs/dbraw/zinc/55/05/77/535550577.db2.gz FZTOAHNZERIFSH-UHFFFAOYSA-N 0 0 435.981 3.520 50 0 IHAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(N2CCOCC2)cc1 ZINC000000949617 535715184 /nfs/dbraw/zinc/71/51/84/535715184.db2.gz QFPNBSCZYAZJSW-UHFFFAOYSA-N 0 0 435.480 3.778 50 0 IHAARN CCN1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000009969460 535742707 /nfs/dbraw/zinc/74/27/07/535742707.db2.gz BKBKFEUPWUJLKJ-UHFFFAOYSA-N 0 0 445.972 3.872 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)c2ccccc2O1 ZINC000009406034 536116621 /nfs/dbraw/zinc/11/66/21/536116621.db2.gz KLUKHWPVWJSJNX-FQEVSTJZSA-N 0 0 437.540 3.821 50 0 IHAARN CNC(=O)[C@H]1CN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc2O1 ZINC000009726137 536397175 /nfs/dbraw/zinc/39/71/75/536397175.db2.gz DJTVKOCLJZTPSJ-XMMPIXPASA-N 0 0 438.487 3.693 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1OC ZINC000002439031 536937710 /nfs/dbraw/zinc/93/77/10/536937710.db2.gz CXSYGQQUUBZIFZ-LJQANCHMSA-N 0 0 444.535 3.733 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000008892907 537065014 /nfs/dbraw/zinc/06/50/14/537065014.db2.gz MYWQIDPHRDGPOF-FQEVSTJZSA-N 0 0 436.581 3.791 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(-n3nncc3-c3ccccc3)cc2)CC1 ZINC000009635527 537066868 /nfs/dbraw/zinc/06/68/68/537066868.db2.gz RUMQBOGVTXYEIX-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OCC(=O)OC ZINC000000623305 555511368 /nfs/dbraw/zinc/51/13/68/555511368.db2.gz VEZMEOWTSMSQJQ-YVLHZVERSA-N 0 0 445.855 3.644 50 0 IHAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc(F)c1 ZINC000000627958 555513379 /nfs/dbraw/zinc/51/33/79/555513379.db2.gz DTFFGXFKGFGTGT-UHFFFAOYSA-N 0 0 426.513 3.821 50 0 IHAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000000630834 555514833 /nfs/dbraw/zinc/51/48/33/555514833.db2.gz LOWVWPVZZYOTRR-YWFITGJYSA-N 0 0 438.574 3.557 50 0 IHAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000633890 555516092 /nfs/dbraw/zinc/51/60/92/555516092.db2.gz DSETWEFITYEAQT-UHFFFAOYSA-N 0 0 449.989 3.716 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(Cl)c1Cl ZINC000000640122 555518092 /nfs/dbraw/zinc/51/80/92/555518092.db2.gz WOIYGNDTQIIFNM-UHFFFAOYSA-N 0 0 442.324 3.601 50 0 IHAARN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)O[C@H](C)CC)CCCC3)n(C)n1 ZINC000000650531 555522688 /nfs/dbraw/zinc/52/26/88/555522688.db2.gz DZXQBVOOTRLASZ-GFCCVEGCSA-N 0 0 433.530 3.745 50 0 IHAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000000656957 555525445 /nfs/dbraw/zinc/52/54/45/555525445.db2.gz QEOZDHAORSEUEL-UHFFFAOYSA-N 0 0 427.482 3.761 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Br)c3)CC2=O)c1C ZINC000009257508 555529938 /nfs/dbraw/zinc/52/99/38/555529938.db2.gz BVDNOGCUJYGBGL-OAHLLOKOSA-N 0 0 445.313 3.601 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc(OC)c1OC ZINC000000676443 555534645 /nfs/dbraw/zinc/53/46/45/555534645.db2.gz OXBXNRCJKYTDHU-UHFFFAOYSA-N 0 0 428.514 3.547 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 ZINC000000676430 555534683 /nfs/dbraw/zinc/53/46/83/555534683.db2.gz MBSMDLKJGIFUQK-UHFFFAOYSA-N 0 0 445.610 3.901 50 0 aggregator IHAARN COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(OC)ccc1OC ZINC000000717120 555548857 /nfs/dbraw/zinc/54/88/57/555548857.db2.gz MRTSZOJYOCPSAH-UHFFFAOYSA-N 0 0 441.455 3.556 50 0 IHAARN COc1ccc(OC)c(/C=C2\N=C(c3cccc(I)c3)OC2=O)c1 ZINC000000725783 555551381 /nfs/dbraw/zinc/55/13/81/555551381.db2.gz IVMFRQTXPDLFSP-GDNBJRDFSA-N 0 0 435.217 3.653 50 0 IHAARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2I)NC(=O)N1C ZINC000000728159 555551911 /nfs/dbraw/zinc/55/19/11/555551911.db2.gz BJKCPFJYELHPRI-INIZCTEOSA-N 0 0 440.281 3.747 50 0 IHAARN NC(=O)c1c2c(sc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1)CCCC2 ZINC000000731964 555553118 /nfs/dbraw/zinc/55/31/18/555553118.db2.gz AYXKYOGNILIAPP-JOCHJYFZSA-N 0 0 433.533 3.777 50 0 IHAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000000804720 555559593 /nfs/dbraw/zinc/55/95/93/555559593.db2.gz LZFCYCIZPPDXAI-UHFFFAOYSA-N 0 0 429.542 3.708 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000815758 555562079 /nfs/dbraw/zinc/56/20/79/555562079.db2.gz BZQRGADCQXWTKL-UHFFFAOYSA-N 0 0 444.509 3.887 50 0 IHAARN CSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000000822520 555564149 /nfs/dbraw/zinc/56/41/49/555564149.db2.gz AIGZTBAEIUTKPW-GOSISDBHSA-N 0 0 442.298 3.632 50 0 biogenic IHAARN Cn1c2nc(SCc3ccc(Cl)cc3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000827958 555565685 /nfs/dbraw/zinc/56/56/85/555565685.db2.gz LQONFAJJKJYSMU-UHFFFAOYSA-N 0 0 426.929 3.612 50 0 IHAARN O=C(Nc1ccccc1I)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000837567 555567385 /nfs/dbraw/zinc/56/73/85/555567385.db2.gz ZCLSGGHYLYNIFW-NSHDSACASA-N 0 0 440.668 3.936 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1 ZINC000000837557 555567388 /nfs/dbraw/zinc/56/73/88/555567388.db2.gz CAZXMQJJUZJTJN-AWEZNQCLSA-N 0 0 434.277 3.845 50 0 IHAARN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000000837318 555567403 /nfs/dbraw/zinc/56/74/03/555567403.db2.gz GXBHNYOIKGJHFC-UHFFFAOYSA-N 0 0 428.539 3.632 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000000843064 555568398 /nfs/dbraw/zinc/56/83/98/555568398.db2.gz XMXUXLFBLCXOBM-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000845545 555569291 /nfs/dbraw/zinc/56/92/91/555569291.db2.gz NBFNUIDAJKGBSS-SFHVURJKSA-N 0 0 447.944 3.797 50 0 IHAARN NC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000000856845 555571451 /nfs/dbraw/zinc/57/14/51/555571451.db2.gz PXCZRNIUCPXZQU-UHFFFAOYSA-N 0 0 431.561 3.904 50 0 IHAARN O=C(Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000000866162 555573870 /nfs/dbraw/zinc/57/38/70/555573870.db2.gz XVOSYOGRATZSQU-UHFFFAOYSA-N 0 0 425.894 3.599 50 0 IHAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000867167 555574363 /nfs/dbraw/zinc/57/43/63/555574363.db2.gz AYJTWOVBEJAIMZ-IBGZPJMESA-N 0 0 447.944 3.797 50 0 IHAARN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC1CC1 ZINC000000869367 555574636 /nfs/dbraw/zinc/57/46/36/555574636.db2.gz YLYFJUNCKULCAF-UHFFFAOYSA-N 0 0 432.851 3.833 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1OC ZINC000000881484 555577474 /nfs/dbraw/zinc/57/74/74/555577474.db2.gz AFSDGPQHYDRLEF-UHFFFAOYSA-N 0 0 433.493 3.565 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)c1 ZINC000000886727 555579285 /nfs/dbraw/zinc/57/92/85/555579285.db2.gz KWBNLVWREZNABP-UHFFFAOYSA-N 0 0 426.498 3.578 50 0 IHAARN COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Br)c1O ZINC000000896477 555580321 /nfs/dbraw/zinc/58/03/21/555580321.db2.gz STQIJGUENXZKNT-MRXNPFEDSA-N 0 0 439.306 3.619 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)cc1OC ZINC000000915163 555583130 /nfs/dbraw/zinc/58/31/30/555583130.db2.gz IAOJZQUZCJQZBD-SANMLTNESA-N 0 0 431.488 3.754 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000000915172 555583163 /nfs/dbraw/zinc/58/31/63/555583163.db2.gz NNMXJERWDAAKOW-SANMLTNESA-N 0 0 431.488 3.754 50 0 IHAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570736 555588194 /nfs/dbraw/zinc/58/81/94/555588194.db2.gz PZAZHSHYCYWTOP-CQSZACIVSA-N 0 0 443.960 3.838 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000000953249 555589789 /nfs/dbraw/zinc/58/97/89/555589789.db2.gz AJHBAUHRPOGPCT-CQSZACIVSA-N 0 0 438.899 3.542 50 0 IHAARN COc1ccccc1C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1 ZINC000046153561 555603032 /nfs/dbraw/zinc/60/30/32/555603032.db2.gz FXBCFHZLLAHRAQ-UHFFFAOYSA-N 0 0 449.898 3.998 50 0 IHAARN O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cccnc21 ZINC000001028717 555604978 /nfs/dbraw/zinc/60/49/78/555604978.db2.gz MGSHKGINXAWANB-UHFFFAOYSA-N 0 0 434.399 3.782 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001043330 555610321 /nfs/dbraw/zinc/61/03/21/555610321.db2.gz DHFPSLQKIAEQLV-KRWDZBQOSA-N 0 0 427.309 3.537 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000001049188 555612420 /nfs/dbraw/zinc/61/24/20/555612420.db2.gz ZJHLDQSDSLLHSQ-UHFFFAOYSA-N 0 0 437.521 3.718 50 0 IHAARN NC(=O)CSc1nnc(COc2cccc3cccnc32)n1-c1ccc(Cl)cc1 ZINC000001058189 555615116 /nfs/dbraw/zinc/61/51/16/555615116.db2.gz KGAHKXADZFVKLE-UHFFFAOYSA-N 0 0 425.901 3.625 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC000001064071 555617271 /nfs/dbraw/zinc/61/72/71/555617271.db2.gz LZKSNODOVUOMBW-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000001063853 555617285 /nfs/dbraw/zinc/61/72/85/555617285.db2.gz ZDHAOENXXPSZFK-UHFFFAOYSA-N 0 0 437.525 3.630 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 ZINC000001071239 555621435 /nfs/dbraw/zinc/62/14/35/555621435.db2.gz PBFXUYBRLMOIDU-UHFFFAOYSA-N 0 0 438.549 3.842 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000001099742 555628375 /nfs/dbraw/zinc/62/83/75/555628375.db2.gz BRCZNTMXCWPBHT-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001104408 555629228 /nfs/dbraw/zinc/62/92/28/555629228.db2.gz FVIYVYLKXINABZ-OAQYLSRUSA-N 0 0 434.521 3.514 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 ZINC000001115268 555633937 /nfs/dbraw/zinc/63/39/37/555633937.db2.gz IAGKACUXHXQANG-HNNXBMFYSA-N 0 0 440.525 3.863 50 0 IHAARN CCOC(=O)c1cccc(COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001116179 555634592 /nfs/dbraw/zinc/63/45/92/555634592.db2.gz VGTALKYFGVQGBK-UHFFFAOYSA-N 0 0 431.488 3.855 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001124423 555639887 /nfs/dbraw/zinc/63/98/87/555639887.db2.gz RPBJFLVGAKAGAT-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001147470 555654417 /nfs/dbraw/zinc/65/44/17/555654417.db2.gz LSAOBHAIROZONO-UHFFFAOYSA-N 0 0 446.550 3.914 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000001149877 555655876 /nfs/dbraw/zinc/65/58/76/555655876.db2.gz DIRLFUXYFCFAML-UHFFFAOYSA-N 0 0 438.505 3.859 50 0 IHAARN COc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001153521 555657521 /nfs/dbraw/zinc/65/75/21/555657521.db2.gz MIOOETRIXCUKPF-IRXDYDNUSA-N 0 0 427.309 3.614 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000001163490 555662927 /nfs/dbraw/zinc/66/29/27/555662927.db2.gz OZYUNRPQWMEWBT-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN CN(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000001163352 555663017 /nfs/dbraw/zinc/66/30/17/555663017.db2.gz FADQFHNOIWWCJP-UHFFFAOYSA-N 0 0 433.327 3.862 50 0 IHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)cc1Br ZINC000001172953 555667946 /nfs/dbraw/zinc/66/79/46/555667946.db2.gz ZKMZKDUJTAWKNI-UHFFFAOYSA-N 0 0 437.315 3.761 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000001184964 555673684 /nfs/dbraw/zinc/67/36/84/555673684.db2.gz JSZWVWVDQSIWET-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)N(Cc2ccccc2)C1=S ZINC000001185497 555673940 /nfs/dbraw/zinc/67/39/40/555673940.db2.gz JBHXKEZGGURUIE-QGZVFWFLSA-N 0 0 446.370 3.796 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc(OC)c1 ZINC000001194693 555676364 /nfs/dbraw/zinc/67/63/64/555676364.db2.gz LGXUXLGISPVNJG-SXGWCWSVSA-N 0 0 435.217 3.653 50 0 IHAARN Cc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001199078 555677891 /nfs/dbraw/zinc/67/78/91/555677891.db2.gz DTTLWFYEJQZGBN-UHFFFAOYSA-N 0 0 426.513 3.954 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl ZINC000001244625 555687522 /nfs/dbraw/zinc/68/75/22/555687522.db2.gz SILXTCBIXUXNEX-HOTGVXAUSA-N 0 0 441.734 3.715 50 0 IHAARN COc1cc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000001297610 555689387 /nfs/dbraw/zinc/68/93/87/555689387.db2.gz VLZNLQLVRJDZQG-JCMHNJIXSA-N 0 0 441.512 3.953 50 0 IHAARN COc1cc(OC)nc([C@@H](SCCNC(=O)c2ccc(Cl)nc2)c2ccccc2)n1 ZINC000001742011 555711818 /nfs/dbraw/zinc/71/18/18/555711818.db2.gz PLWLDMQXRGNSOA-IBGZPJMESA-N 0 0 444.944 3.795 50 0 IHAARN CCOC(=O)CSc1nc2sc3c(c2c(SCC(=O)OCC)n1)CCCC3 ZINC000001929745 555725346 /nfs/dbraw/zinc/72/53/46/555725346.db2.gz KABLNWQZILYXEH-UHFFFAOYSA-N 0 0 426.585 3.881 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1F)N1CCC2(C[C@H]2c2nc(-c3cccnc3)no2)CC1 ZINC000071890443 555744956 /nfs/dbraw/zinc/74/49/56/555744956.db2.gz IQIOUQOBXNDDNW-AWEZNQCLSA-N 0 0 448.907 3.883 50 0 IHAARN 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556168336 /nfs/dbraw/zinc/16/83/36/556168336.db2.gz WUOXUMCZTWXYRA-ZJYIUVRYSA-N 0 0 444.556 3.772 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000008448936 556180732 /nfs/dbraw/zinc/18/07/32/556180732.db2.gz NFIROVHUDJKRFY-MRXNPFEDSA-N 0 0 430.298 3.791 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C ZINC000008449899 556180947 /nfs/dbraw/zinc/18/09/47/556180947.db2.gz HQIUIXICPTTWCQ-PVTAMDAMSA-N 0 0 431.488 3.879 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000008449897 556180989 /nfs/dbraw/zinc/18/09/89/556180989.db2.gz KJQNDTHWFBSZHD-SGNKAXLRSA-N 0 0 431.488 3.879 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)c1 ZINC000008591605 556188987 /nfs/dbraw/zinc/18/89/87/556188987.db2.gz YQECKEWNAXULLP-LJQANCHMSA-N 0 0 441.459 3.577 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NC2CCCCC2)C3=O)cc1 ZINC000008595671 556190232 /nfs/dbraw/zinc/19/02/32/556190232.db2.gz QIARSKWQTCGVMK-RUZDIDTESA-N 0 0 449.576 3.723 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)c3cc(OC)c(OC)cc3OC)C(C)C)n2)cc1 ZINC000008599431 556190604 /nfs/dbraw/zinc/19/06/04/556190604.db2.gz GZSKBPUACURXSO-UHFFFAOYSA-N 0 0 441.484 3.822 50 0 IHAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)c1 ZINC000008599521 556190699 /nfs/dbraw/zinc/19/06/99/556190699.db2.gz LICYYFAUNUCCAP-QFIPXVFZSA-N 0 0 446.482 3.938 50 0 IHAARN COc1cc([C@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(C)=O ZINC000008914178 556232026 /nfs/dbraw/zinc/23/20/26/556232026.db2.gz DBZYQZNFXUYSMG-LJQANCHMSA-N 0 0 444.871 3.897 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1 ZINC000008959134 556236776 /nfs/dbraw/zinc/23/67/76/556236776.db2.gz PTYDFRYZFDIEKV-UHFFFAOYSA-N 0 0 443.960 3.746 50 0 IHAARN COC(=O)/C=C1\C(=O)N(c2nc3ccc(C)cc3s2)C(=S)N1c1ccc(F)cc1 ZINC000009157967 556249904 /nfs/dbraw/zinc/24/99/04/556249904.db2.gz AEYKDWUSAJMWGK-XNTDXEJSSA-N 0 0 427.482 3.939 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccnc4)n3N)ccc21 ZINC000009190854 556252951 /nfs/dbraw/zinc/25/29/51/556252951.db2.gz TXYHOSXKLSLPLA-UHFFFAOYSA-N 0 0 443.536 3.913 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009191054 556253443 /nfs/dbraw/zinc/25/34/43/556253443.db2.gz FEZFAFYQCOWYHJ-FQEVSTJZSA-N 0 0 449.551 3.624 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009216150 556258067 /nfs/dbraw/zinc/25/80/67/556258067.db2.gz ULLSRFBAVCBXNS-OZZUTDSSSA-N 0 0 428.532 3.979 50 0 IHAARN CN(C(=O)CCn1cnc2ccccc2c1=O)c1nnc(SCc2ccccc2)s1 ZINC000009226863 556260651 /nfs/dbraw/zinc/26/06/51/556260651.db2.gz AWHLNFOJRCXZES-UHFFFAOYSA-N 0 0 437.550 3.593 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1Cl ZINC000009238580 556264662 /nfs/dbraw/zinc/26/46/62/556264662.db2.gz MEXPRQYKFDUCBR-ZWKOTPCHSA-N 0 0 429.933 3.955 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1Cl ZINC000009238583 556264682 /nfs/dbraw/zinc/26/46/82/556264682.db2.gz MEXPRQYKFDUCBR-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN Cn1c(CCC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccccc1Cl ZINC000009262777 556269792 /nfs/dbraw/zinc/26/97/92/556269792.db2.gz JYTLRSNUELULAM-UHFFFAOYSA-N 0 0 447.923 3.910 50 0 IHAARN COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 ZINC000009304729 556276218 /nfs/dbraw/zinc/27/62/18/556276218.db2.gz NBRDRCCFSBHVIR-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000009303413 556276244 /nfs/dbraw/zinc/27/62/44/556276244.db2.gz UBETXHQNPQAHJM-AWEZNQCLSA-N 0 0 444.586 3.672 50 0 IHAARN COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2cccc(F)c2)c1OC ZINC000013688210 556277765 /nfs/dbraw/zinc/27/77/65/556277765.db2.gz ZLZJTSRWXTUUAW-UHFFFAOYSA-N 0 0 447.576 3.764 50 0 IHAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N[C@H](CO)Cc1ccccc1 ZINC000013692353 556282084 /nfs/dbraw/zinc/28/20/84/556282084.db2.gz OFJADOVMCOQXBB-FQEVSTJZSA-N 0 0 429.472 3.559 50 0 biogenic IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(F)c3)C2)c1 ZINC000009392226 556287519 /nfs/dbraw/zinc/28/75/19/556287519.db2.gz VESJYDMFBDEOQX-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000013720523 556289666 /nfs/dbraw/zinc/28/96/66/556289666.db2.gz UAOIYONPJAWXED-FQEVSTJZSA-N 0 0 440.931 3.707 50 0 IHAARN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccc1Br ZINC000009436186 556291813 /nfs/dbraw/zinc/29/18/13/556291813.db2.gz PLUUGFGBBKACBK-UHFFFAOYSA-N 0 0 431.242 3.988 50 0 IHAARN COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(Cl)cc23)cc(C(=O)OC)c1 ZINC000009481881 556293802 /nfs/dbraw/zinc/29/38/02/556293802.db2.gz LVZIRYDYMKTMAT-UHFFFAOYSA-N 0 0 445.928 3.924 50 0 IHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 ZINC000013739545 556298158 /nfs/dbraw/zinc/29/81/58/556298158.db2.gz VDJPVRRCEVSUJC-CAZPATRMSA-N 0 0 439.540 3.764 50 0 IHAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013759340 556301581 /nfs/dbraw/zinc/30/15/81/556301581.db2.gz FSGDLKDCMCTAEZ-BFYDXBDKSA-N 0 0 434.360 3.933 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000009616674 556304036 /nfs/dbraw/zinc/30/40/36/556304036.db2.gz JAQCEEHSULFIJO-INIZCTEOSA-N 0 0 429.590 3.717 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000032744714 556304626 /nfs/dbraw/zinc/30/46/26/556304626.db2.gz NQPXKNVVVCLGTJ-HXUWFJFHSA-N 0 0 439.947 3.543 50 0 IHAARN COc1ccccc1C(C1C(=O)Nc2ccccc2C1=O)C1C(=O)Nc2ccccc2C1=O ZINC000009698237 556306578 /nfs/dbraw/zinc/30/65/78/556306578.db2.gz SUYMEUIKIXSZTL-UHFFFAOYSA-N 0 0 440.455 3.970 50 0 biogenic IHAARN COc1cccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(SC)cc3)C2=O)c1 ZINC000009704112 556307148 /nfs/dbraw/zinc/30/71/48/556307148.db2.gz RXWZWZLLSXJDRC-UYRXBGFRSA-N 0 0 442.562 3.812 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1nc2ccccc2[nH]1 ZINC000032738327 556308268 /nfs/dbraw/zinc/30/82/68/556308268.db2.gz IPXWQRRHHZSESU-AWEZNQCLSA-N 0 0 437.525 3.535 50 0 IHAARN C[C@@H](O)CN(C[C@@H](C)O)c1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013778690 556308272 /nfs/dbraw/zinc/30/82/72/556308272.db2.gz MAQSNTSHXVZYDY-HUUCEWRRSA-N 0 0 434.565 3.963 50 0 IHAARN COc1ccc(OC)c(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c1 ZINC000009804729 556308959 /nfs/dbraw/zinc/30/89/59/556308959.db2.gz CPVCHFVYBLRTDF-AREMUKBSSA-N 0 0 431.488 3.754 50 0 IHAARN O[C@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000032750951 556313116 /nfs/dbraw/zinc/31/31/16/556313116.db2.gz IQNVDRGEQJZQLY-NVXWUHKLSA-N 0 0 435.546 3.857 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000032753085 556314198 /nfs/dbraw/zinc/31/41/98/556314198.db2.gz UVHWQBMOWTUTJG-XLIONFOSSA-N 0 0 442.512 3.649 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 ZINC000009892371 556315552 /nfs/dbraw/zinc/31/55/52/556315552.db2.gz OGXGIOFSRUQHNQ-FQEVSTJZSA-N 0 0 437.496 3.604 50 0 IHAARN Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(O)n1 ZINC000009909001 556316208 /nfs/dbraw/zinc/31/62/08/556316208.db2.gz SJORDMJDMOEXCL-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009926195 556317081 /nfs/dbraw/zinc/31/70/81/556317081.db2.gz OBHJEDBQJGLGRI-JWIQXXRHSA-N 0 0 441.483 3.978 50 0 IHAARN COc1cc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)c(OC)cc1Cl ZINC000013847083 556319144 /nfs/dbraw/zinc/31/91/44/556319144.db2.gz MBLZCJAQSSRYFF-UHFFFAOYSA-N 0 0 448.928 3.915 50 0 IHAARN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000013847441 556319431 /nfs/dbraw/zinc/31/94/31/556319431.db2.gz IFOIMMVCINZEBA-UHFFFAOYSA-N 0 0 429.311 3.773 50 0 IHAARN COc1ccc(C2(C(=O)NC[C@]3(c4ccccc4)CCCOC3)CCOCC2)cc1OC ZINC000010013812 556322765 /nfs/dbraw/zinc/32/27/65/556322765.db2.gz FMPCWLSMTYNJNE-RUZDIDTESA-N 0 0 439.552 3.617 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000032776951 556326987 /nfs/dbraw/zinc/32/69/87/556326987.db2.gz MOZZAILXTVEFQQ-SJORKVTESA-N 0 0 435.567 3.580 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000010302950 556330068 /nfs/dbraw/zinc/33/00/68/556330068.db2.gz MLDADSDIVNSETL-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(CN2CCCC2=O)c1 ZINC000032768369 556333160 /nfs/dbraw/zinc/33/31/60/556333160.db2.gz JKLDXPWBBDQJHQ-UHFFFAOYSA-N 0 0 431.286 3.595 50 0 IHAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000032774464 556336513 /nfs/dbraw/zinc/33/65/13/556336513.db2.gz OQANZFAHHFBDBQ-LLVKDONJSA-N 0 0 427.436 3.919 50 0 IHAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1c(F)cccc1F ZINC000032774468 556336575 /nfs/dbraw/zinc/33/65/75/556336575.db2.gz UESYIXFLYFBYOZ-LLVKDONJSA-N 0 0 427.436 3.919 50 0 IHAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944224 556341329 /nfs/dbraw/zinc/34/13/29/556341329.db2.gz ILPXUJBFPZGMRR-ZDUSSCGKSA-N 0 0 428.901 3.973 50 0 IHAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 ZINC000013944269 556341369 /nfs/dbraw/zinc/34/13/69/556341369.db2.gz QENUBEAULAWPHY-CYBMUJFWSA-N 0 0 428.901 3.973 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 ZINC000011661574 556343182 /nfs/dbraw/zinc/34/31/82/556343182.db2.gz LKPNAFCVVVVTFY-XMMPIXPASA-N 0 0 427.472 3.641 50 0 IHAARN CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000013949186 556344095 /nfs/dbraw/zinc/34/40/95/556344095.db2.gz RUWBFJZXXNFKJE-IAGOWNOFSA-N 0 0 436.599 3.716 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000011701985 556347327 /nfs/dbraw/zinc/34/73/27/556347327.db2.gz RCGBLABTQUAJBX-VWLOTQADSA-N 0 0 441.499 3.902 50 0 IHAARN O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000032786788 556350011 /nfs/dbraw/zinc/35/00/11/556350011.db2.gz OEAIVZUXFUIQEF-NRFANRHFSA-N 0 0 438.553 3.761 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000032778431 556351305 /nfs/dbraw/zinc/35/13/05/556351305.db2.gz DMUVMEHUBZKKCE-QGZVFWFLSA-N 0 0 427.555 3.743 50 0 IHAARN COc1ccc(CN(C)C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000011783192 556351369 /nfs/dbraw/zinc/35/13/69/556351369.db2.gz VYTXYONIALYSFW-DEOSSOPVSA-N 0 0 444.959 3.987 50 0 IHAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000013985849 556351846 /nfs/dbraw/zinc/35/18/46/556351846.db2.gz RRCHYXKUCXFJFF-LJQANCHMSA-N 0 0 440.594 3.674 50 0 IHAARN Cc1cnc(-n2ncc(C(=O)NCCc3ccccn3)c2C2CC2)nc1-c1cccs1 ZINC000011784223 556352538 /nfs/dbraw/zinc/35/25/38/556352538.db2.gz BBQSSSDRMWIQMT-UHFFFAOYSA-N 0 0 430.537 3.944 50 0 IHAARN COc1ccccc1[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C)C1=O ZINC000011788074 556354546 /nfs/dbraw/zinc/35/45/46/556354546.db2.gz XGWBIGBGJWSESP-CYFREDJKSA-N 0 0 440.927 3.729 50 0 IHAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)cc1Cl ZINC000014020688 556356738 /nfs/dbraw/zinc/35/67/38/556356738.db2.gz ZHUXYCYKJIOXMS-OAQYLSRUSA-N 0 0 427.932 3.583 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000014021449 556356752 /nfs/dbraw/zinc/35/67/52/556356752.db2.gz IUHDDOUGTNFYRL-XMMPIXPASA-N 0 0 436.515 3.900 50 0 IHAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O ZINC000014067466 556359668 /nfs/dbraw/zinc/35/96/68/556359668.db2.gz ZQBDEQGBJNULSL-HSZRJFAPSA-N 0 0 435.505 3.978 50 0 IHAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O ZINC000014067462 556359683 /nfs/dbraw/zinc/35/96/83/556359683.db2.gz ZQBDEQGBJNULSL-QHCPKHFHSA-N 0 0 435.505 3.978 50 0 IHAARN Cc1cccc([C@H](CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 ZINC000032796550 556361800 /nfs/dbraw/zinc/36/18/00/556361800.db2.gz KDKJWIOCOXCRQA-VQTJNVASSA-N 0 0 445.947 3.947 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000014076521 556362147 /nfs/dbraw/zinc/36/21/47/556362147.db2.gz GFRHFNUAUDCEAB-UHFFFAOYSA-N 0 0 448.548 3.658 50 0 IHAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000011838491 556363909 /nfs/dbraw/zinc/36/39/09/556363909.db2.gz PREFNUDBVMVOAZ-LJQANCHMSA-N 0 0 428.517 3.930 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000014109995 556369088 /nfs/dbraw/zinc/36/90/88/556369088.db2.gz ILHMFRATEKVSAZ-UHFFFAOYSA-N 0 0 447.535 3.818 50 0 IHAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3nccs3)cc2OC)cc1 ZINC000014111724 556369806 /nfs/dbraw/zinc/36/98/06/556369806.db2.gz LETUTRINVFSNQJ-UHFFFAOYSA-N 0 0 427.482 3.820 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000014121395 556372285 /nfs/dbraw/zinc/37/22/85/556372285.db2.gz IKIGBUSYGJYBBH-QFIPXVFZSA-N 0 0 443.975 3.955 50 0 IHAARN COc1ccc(NC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000014121265 556372312 /nfs/dbraw/zinc/37/23/12/556372312.db2.gz IPLRLTNCPHVDNU-UHFFFAOYSA-N 0 0 429.476 3.974 50 0 IHAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CC=C(c2ccccc2)CC1 ZINC000014124543 556373201 /nfs/dbraw/zinc/37/32/01/556373201.db2.gz LMUQXNINHWPQEI-FQEVSTJZSA-N 0 0 435.505 3.990 50 0 IHAARN COc1ccc(-n2c(CNC(=O)c3ccccn3)nnc2SCc2ccccc2)cc1 ZINC000011913532 556375961 /nfs/dbraw/zinc/37/59/61/556375961.db2.gz VYOSWRGOAVLHKN-UHFFFAOYSA-N 0 0 431.521 3.893 50 0 IHAARN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000014141194 556376416 /nfs/dbraw/zinc/37/64/16/556376416.db2.gz WCSPYUHOGLXBDO-SFHVURJKSA-N 0 0 425.872 3.646 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1)NCc1ccccc1F ZINC000011934694 556377995 /nfs/dbraw/zinc/37/79/95/556377995.db2.gz HFZOTZYJGOGGKX-QGZVFWFLSA-N 0 0 436.483 3.881 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014161345 556378661 /nfs/dbraw/zinc/37/86/61/556378661.db2.gz RWXZPGHZFPLAGR-QFIPXVFZSA-N 0 0 431.540 3.834 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CSc3nnc(C)s3)C2)c(C)c1 ZINC000011950855 556380316 /nfs/dbraw/zinc/38/03/16/556380316.db2.gz USMCKZKURKTBAV-INIZCTEOSA-N 0 0 448.614 3.913 50 0 IHAARN COc1ccccc1OCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000014168802 556380526 /nfs/dbraw/zinc/38/05/26/556380526.db2.gz IIAYTTGRQKUNSS-UHFFFAOYSA-N 0 0 429.476 3.512 50 0 IHAARN COc1cccc(C[C@@]2(CCC(=O)N3CCOc4ccc(Cl)cc4C3)CCC(=O)N2)c1 ZINC000011967049 556382225 /nfs/dbraw/zinc/38/22/25/556382225.db2.gz RRPQVJNABXTFSS-DEOSSOPVSA-N 0 0 442.943 3.741 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000014186137 556385995 /nfs/dbraw/zinc/38/59/95/556385995.db2.gz HXOOYMLPMOHPKN-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN CSc1nnc(CNC(=O)c2cccc(-n3nc(C)cc3C)c2)n1-c1ccc(F)cc1 ZINC000012025953 556387688 /nfs/dbraw/zinc/38/76/88/556387688.db2.gz PFQVNJORZYVENZ-UHFFFAOYSA-N 0 0 436.516 3.861 50 0 IHAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000014200752 556391393 /nfs/dbraw/zinc/39/13/93/556391393.db2.gz DSJGCEOFOJVIKU-UHFFFAOYSA-N 0 0 425.308 3.705 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)(F)F ZINC000032809349 556394012 /nfs/dbraw/zinc/39/40/12/556394012.db2.gz YKVMBWSOMSRRQM-NRFANRHFSA-N 0 0 447.413 3.913 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 ZINC000012057604 556394997 /nfs/dbraw/zinc/39/49/97/556394997.db2.gz QKEXWRUQLFCHSJ-DEOSSOPVSA-N 0 0 429.536 3.786 50 0 IHAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O ZINC000014228393 556395788 /nfs/dbraw/zinc/39/57/88/556395788.db2.gz FCWUPQCXVLLYGK-QUCCMNQESA-N 0 0 448.592 3.550 50 0 IHAARN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000012075866 556397528 /nfs/dbraw/zinc/39/75/28/556397528.db2.gz ZXMJASXZXWNUEJ-UHFFFAOYSA-N 0 0 438.977 3.830 50 0 IHAARN Cc1cc(=O)c(C(=O)OCc2nnc(-c3ccco3)o2)nn1-c1cccc(C(F)(F)F)c1 ZINC000014241383 556401798 /nfs/dbraw/zinc/40/17/98/556401798.db2.gz CFYVHEAKMJFTOF-UHFFFAOYSA-N 0 0 446.341 3.560 50 0 IHAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccc(-c2ccccc2)cc1 ZINC000014241929 556402321 /nfs/dbraw/zinc/40/23/21/556402321.db2.gz IJPMSIXHCZVUCK-UHFFFAOYSA-N 0 0 436.533 3.816 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCCc1nc2ccccc2s1 ZINC000014242360 556402910 /nfs/dbraw/zinc/40/29/10/556402910.db2.gz GMKCNUXZKLUWOI-UHFFFAOYSA-N 0 0 439.537 3.877 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000014242486 556403192 /nfs/dbraw/zinc/40/31/92/556403192.db2.gz NMSFCCPPTTUYKK-QGZVFWFLSA-N 0 0 438.471 3.853 50 0 IHAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012429217 556404321 /nfs/dbraw/zinc/40/43/21/556404321.db2.gz FWPGEGYJVJZEQR-UHFFFAOYSA-N 0 0 446.429 3.518 50 0 IHAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000014245382 556405243 /nfs/dbraw/zinc/40/52/43/556405243.db2.gz LDSLKAMWHMSRCQ-UHFFFAOYSA-N 0 0 442.497 3.528 50 0 IHAARN COc1ccccc1N1CCN(C(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)CC1 ZINC000032579089 556406402 /nfs/dbraw/zinc/40/64/02/556406402.db2.gz WSUDEVNRZGNPMB-UHFFFAOYSA-N 0 0 436.512 3.596 50 0 IHAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C ZINC000032610692 556408488 /nfs/dbraw/zinc/40/84/88/556408488.db2.gz WWGRWRLJVSSDBI-HNNXBMFYSA-N 0 0 440.525 3.847 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)cs1 ZINC000014251050 556409023 /nfs/dbraw/zinc/40/90/23/556409023.db2.gz DPRYXRRABYAHNC-UHFFFAOYSA-N 0 0 437.565 3.793 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)CN(C)CC(=O)Nc1cc(C)ccc1C ZINC000014252163 556409572 /nfs/dbraw/zinc/40/95/72/556409572.db2.gz IFSBOBKOGAZYQJ-UHFFFAOYSA-N 0 0 445.585 3.921 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)c1nc2ccccc2nc1N1CCOCC1 ZINC000032642920 556412310 /nfs/dbraw/zinc/41/23/10/556412310.db2.gz WEDOZZJLPOPMBS-UHFFFAOYSA-N 0 0 431.265 3.620 50 0 IHAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000032820935 556412427 /nfs/dbraw/zinc/41/24/27/556412427.db2.gz GMLPPBKBHMIDMC-RDTXWAMCSA-N 0 0 442.537 3.941 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012815683 556412518 /nfs/dbraw/zinc/41/25/18/556412518.db2.gz YOUIJQJVYXDGSP-OKILXGFUSA-N 0 0 433.401 3.899 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3ccccc3)C(C)C)n2)cc1OC ZINC000004385440 556413594 /nfs/dbraw/zinc/41/35/94/556413594.db2.gz CFAHGAUDLBSZOV-MRXNPFEDSA-N 0 0 425.485 3.958 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)OCc3nc(-c4ccc(F)cc4)no3)CC2=O)c1 ZINC000032671805 556414267 /nfs/dbraw/zinc/41/42/67/556414267.db2.gz MBOAPGVARRXXHD-AWEZNQCLSA-N 0 0 427.457 3.694 50 0 IHAARN COC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(OC)c1 ZINC000032672110 556414894 /nfs/dbraw/zinc/41/48/94/556414894.db2.gz ANVPUMPKPLXUMD-INIZCTEOSA-N 0 0 440.477 3.893 50 0 IHAARN CCOC(=O)Cc1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)n1Cc1ccccc1 ZINC000032829322 556416210 /nfs/dbraw/zinc/41/62/10/556416210.db2.gz IWOCUKCYITUNGR-OAHLLOKOSA-N 0 0 427.501 3.935 50 0 IHAARN CN(C)C(=O)Cc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cs1 ZINC000032832026 556417338 /nfs/dbraw/zinc/41/73/38/556417338.db2.gz GYLMMRVEDABAMS-UHFFFAOYSA-N 0 0 442.614 3.637 50 0 IHAARN Cc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000012945509 556417815 /nfs/dbraw/zinc/41/78/15/556417815.db2.gz WHXDPWNLDJHUKL-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1ccc(-c2ccc(CCC(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1 ZINC000032836937 556418555 /nfs/dbraw/zinc/41/85/55/556418555.db2.gz BGLDTYYUMGOZPK-HSZRJFAPSA-N 0 0 434.492 3.770 50 0 IHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000032837329 556418736 /nfs/dbraw/zinc/41/87/36/556418736.db2.gz IUYNGZXEXHHIOJ-IIBYNOLFSA-N 0 0 426.538 3.835 50 0 IHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2nc(CN3CCCC3)cs2)CC1 ZINC000065200007 556419306 /nfs/dbraw/zinc/41/93/06/556419306.db2.gz SLBLIVNSIFQVGB-INIZCTEOSA-N 0 0 434.993 3.508 50 0 IHAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 ZINC000012974375 556420360 /nfs/dbraw/zinc/42/03/60/556420360.db2.gz QHIWPQZAQHVNIH-UHFFFAOYSA-N 0 0 426.542 3.609 50 0 IHAARN Cc1noc(C)c1CO[C@@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N(CC(C)C)C1 ZINC000014531041 556420427 /nfs/dbraw/zinc/42/04/27/556420427.db2.gz OYBQBGQRSZLMHV-IBGZPJMESA-N 0 0 439.512 3.563 50 0 IHAARN CCn1c2ncc(NC[C@@H]3CC=CCC3)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014536049 556423386 /nfs/dbraw/zinc/42/33/86/556423386.db2.gz SBBOUNBWORLWKS-HZPDHXFCSA-N 0 0 426.517 3.586 50 0 IHAARN COc1cc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1OC ZINC000012982201 556425129 /nfs/dbraw/zinc/42/51/29/556425129.db2.gz DJIDXKBPMFIACB-GOSISDBHSA-N 0 0 442.512 3.649 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3c(F)cccc3Cl)n2c1 ZINC000012985813 556426532 /nfs/dbraw/zinc/42/65/32/556426532.db2.gz GLZVOSAMONCOIA-UHFFFAOYSA-N 0 0 428.942 3.845 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)N3CCC[C@@H]3c3nnc4ccccn43)cs2)cc1 ZINC000032841800 556427697 /nfs/dbraw/zinc/42/76/97/556427697.db2.gz NWRMZFIQZMAVMJ-LJQANCHMSA-N 0 0 433.537 3.979 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000032842255 556427725 /nfs/dbraw/zinc/42/77/25/556427725.db2.gz GUYMNVHUVYZAAZ-UHFFFAOYSA-N 0 0 436.419 3.821 50 0 IHAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000012993508 556429399 /nfs/dbraw/zinc/42/93/99/556429399.db2.gz LKELPYIYFNKGRE-UHFFFAOYSA-N 0 0 435.568 3.666 50 0 IHAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000012997195 556431619 /nfs/dbraw/zinc/43/16/19/556431619.db2.gz PFNKOVDGPRGLAG-FQEVSTJZSA-N 0 0 448.610 3.693 50 0 IHAARN CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 ZINC000012997671 556431890 /nfs/dbraw/zinc/43/18/90/556431890.db2.gz GMIODLSXMZUVAP-UHFFFAOYSA-N 0 0 441.578 3.519 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000012999268 556432612 /nfs/dbraw/zinc/43/26/12/556432612.db2.gz DZXIAGYJKWWPBW-UHFFFAOYSA-N 0 0 429.361 3.938 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1C ZINC000032855823 556433159 /nfs/dbraw/zinc/43/31/59/556433159.db2.gz NBMAQZBNUUXUND-UHFFFAOYSA-N 0 0 444.553 3.785 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n(C)c1 ZINC000014701111 556433170 /nfs/dbraw/zinc/43/31/70/556433170.db2.gz IXRVZDJYZKHKPY-ZDUSSCGKSA-N 0 0 431.480 3.565 50 0 IHAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc2c(c1)OCCO2 ZINC000032856012 556433336 /nfs/dbraw/zinc/43/33/36/556433336.db2.gz VBSNNLRWVXKBRW-QGZVFWFLSA-N 0 0 438.427 3.596 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1C ZINC000027840120 556434306 /nfs/dbraw/zinc/43/43/06/556434306.db2.gz NDKGXFPNEGEHSU-UHFFFAOYSA-N 0 0 437.568 3.755 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCCOc3ccc(Cl)cc3)n2c1 ZINC000032858528 556435189 /nfs/dbraw/zinc/43/51/89/556435189.db2.gz HDTXUGNTDFCKAH-UHFFFAOYSA-N 0 0 440.978 3.584 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000013010076 556435407 /nfs/dbraw/zinc/43/54/07/556435407.db2.gz PLJAXMYGSGGYHK-UHFFFAOYSA-N 0 0 428.838 3.903 50 0 IHAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000027977710 556438054 /nfs/dbraw/zinc/43/80/54/556438054.db2.gz JHTWMBZDZVBRNL-QGZVFWFLSA-N 0 0 426.567 3.997 50 0 IHAARN CCN(C(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000013030433 556442254 /nfs/dbraw/zinc/44/22/54/556442254.db2.gz RWKHSDLJHBLYRL-CJNGLKHVSA-N 0 0 440.915 3.831 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013030238 556442288 /nfs/dbraw/zinc/44/22/88/556442288.db2.gz PXYMYCOFEJTVAC-OAQYLSRUSA-N 0 0 427.932 3.952 50 0 IHAARN O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1Cl ZINC000028040986 556442335 /nfs/dbraw/zinc/44/23/35/556442335.db2.gz WHQHBKACIOROAZ-UHFFFAOYSA-N 0 0 430.755 3.576 50 0 IHAARN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014748272 556442400 /nfs/dbraw/zinc/44/24/00/556442400.db2.gz DCNVGDCKXQJUES-UHFFFAOYSA-N 0 0 437.540 3.523 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C ZINC000013039651 556445301 /nfs/dbraw/zinc/44/53/01/556445301.db2.gz BLZRHIKQZWQZAV-FQEVSTJZSA-N 0 0 430.932 3.982 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C ZINC000013039652 556445320 /nfs/dbraw/zinc/44/53/20/556445320.db2.gz BLZRHIKQZWQZAV-HXUWFJFHSA-N 0 0 430.932 3.982 50 0 IHAARN COc1ccc(CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000014801641 556446467 /nfs/dbraw/zinc/44/64/67/556446467.db2.gz XGIZPJUQGXCDDW-UHFFFAOYSA-N 0 0 431.467 3.842 50 0 IHAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1Cl ZINC000028289808 556449111 /nfs/dbraw/zinc/44/91/11/556449111.db2.gz NUYXVPPSJTXMMI-IBGZPJMESA-N 0 0 426.900 3.558 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CC2 ZINC000013062045 556450685 /nfs/dbraw/zinc/45/06/85/556450685.db2.gz VMFRXLRGUXWEOY-ROKPMTFOSA-N 0 0 434.536 3.784 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)cc2NC1=O ZINC000028293750 556451095 /nfs/dbraw/zinc/45/10/95/556451095.db2.gz XWPIKQLRZWCJLU-VIFPVBQESA-N 0 0 429.226 3.527 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O ZINC000013062957 556451237 /nfs/dbraw/zinc/45/12/37/556451237.db2.gz CECXQWJHKDZSMU-DEOSSOPVSA-N 0 0 439.487 3.850 50 0 IHAARN O=C(COc1ccc(Cl)cc1Br)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000013068447 556452282 /nfs/dbraw/zinc/45/22/82/556452282.db2.gz GMDTZPDSMZFSQK-UHFFFAOYSA-N 0 0 441.661 3.679 50 0 IHAARN COC(=O)c1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)c4cc5ccccc5[nH]4)CC[C@@H]32)cc1 ZINC000014880119 556453265 /nfs/dbraw/zinc/45/32/65/556453265.db2.gz NWGWYMRGVFSOIA-OFNKIYASSA-N 0 0 445.519 3.721 50 0 IHAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000014881479 556453899 /nfs/dbraw/zinc/45/38/99/556453899.db2.gz OHGMMTKYISHJSI-YKSBVNFPSA-N 0 0 426.944 3.774 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)Cc1c(C)noc1C)C2 ZINC000014881557 556453902 /nfs/dbraw/zinc/45/39/02/556453902.db2.gz LCQQDZXUVZSDNN-GOSISDBHSA-N 0 0 434.492 3.716 50 0 IHAARN CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000013095938 556456666 /nfs/dbraw/zinc/45/66/66/556456666.db2.gz AXMIZZJPSWSFDY-UHFFFAOYSA-N 0 0 428.554 3.930 50 0 IHAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl ZINC000013096404 556456908 /nfs/dbraw/zinc/45/69/08/556456908.db2.gz NHIRWLGPMPDFPZ-UHFFFAOYSA-N 0 0 434.945 4.000 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)c1ccccc1)CC2 ZINC000072277287 556458026 /nfs/dbraw/zinc/45/80/26/556458026.db2.gz UZNRHSUXNIGJDB-QHCPKHFHSA-N 0 0 436.533 3.669 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000028671491 556458519 /nfs/dbraw/zinc/45/85/19/556458519.db2.gz VYJIQIVRAICGTH-LZWOXQAQSA-N 0 0 427.526 3.577 50 0 IHAARN COC[C@@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O ZINC000028683684 556458677 /nfs/dbraw/zinc/45/86/77/556458677.db2.gz WQLALCWTGXBWIL-IAGOWNOFSA-N 0 0 437.565 3.669 50 0 IHAARN COc1ccc(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)c1 ZINC000028685388 556458686 /nfs/dbraw/zinc/45/86/86/556458686.db2.gz GHNXSTCWWPZFSY-UHFFFAOYSA-N 0 0 429.826 3.821 50 0 IHAARN NC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1CCCC2 ZINC000013100815 556460468 /nfs/dbraw/zinc/46/04/68/556460468.db2.gz IOQNLBBCXHJRIH-AWEZNQCLSA-N 0 0 445.972 3.870 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)ccc21 ZINC000028791234 556461091 /nfs/dbraw/zinc/46/10/91/556461091.db2.gz BCPFAVAEDZCVLB-UHFFFAOYSA-N 0 0 428.510 3.828 50 0 IHAARN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000028806376 556461269 /nfs/dbraw/zinc/46/12/69/556461269.db2.gz OTNXAVJNEOKRNB-AWEZNQCLSA-N 0 0 428.920 3.894 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1CC(F)(F)F ZINC000011036309 556461341 /nfs/dbraw/zinc/46/13/41/556461341.db2.gz DJTRPTWZXHPFKZ-LJQANCHMSA-N 0 0 430.386 3.977 50 0 IHAARN COc1ccc2cc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c(Cl)nc2c1 ZINC000013108389 556462002 /nfs/dbraw/zinc/46/20/02/556462002.db2.gz BJABBPOTMHNAJK-QFIPXVFZSA-N 0 0 439.855 3.593 50 0 IHAARN CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 ZINC000028908481 556463520 /nfs/dbraw/zinc/46/35/20/556463520.db2.gz UWKBFDCBTKRPJV-SJLPKXTDSA-N 0 0 427.570 3.650 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000013109805 556463602 /nfs/dbraw/zinc/46/36/02/556463602.db2.gz ZPNBYTYPRKSRBD-HNNXBMFYSA-N 0 0 430.936 3.918 50 0 IHAARN Cc1cccc(Cc2nnc(CCC(=O)N3CCC([C@@H](O)c4cccs4)CC3)o2)c1 ZINC000014963589 556465008 /nfs/dbraw/zinc/46/50/08/556465008.db2.gz XKRFHZHVWZQAOV-HSZRJFAPSA-N 0 0 425.554 3.935 50 0 IHAARN COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cc1OC ZINC000014967980 556466045 /nfs/dbraw/zinc/46/60/45/556466045.db2.gz DFZIHZSRFXKRQQ-LJQANCHMSA-N 0 0 427.451 3.904 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc(C3CC3)n(-c3ccccc3)n1)CCC2 ZINC000013113084 556466227 /nfs/dbraw/zinc/46/62/27/556466227.db2.gz RBGOBQXLBJYCCU-UHFFFAOYSA-N 0 0 439.566 3.525 50 0 IHAARN CC1(C)C[C@H](NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CCO1 ZINC000014970556 556466768 /nfs/dbraw/zinc/46/67/68/556466768.db2.gz JJBDGDMTSYKAPE-LJQANCHMSA-N 0 0 443.551 3.993 50 0 IHAARN COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 ZINC000013114693 556467241 /nfs/dbraw/zinc/46/72/41/556467241.db2.gz HWXBSYNXHJHTPU-UHFFFAOYSA-N 0 0 445.928 3.991 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccccc1 ZINC000013114874 556467537 /nfs/dbraw/zinc/46/75/37/556467537.db2.gz JGXVEFSBVPQLIL-SANMLTNESA-N 0 0 427.504 3.729 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000029118991 556467769 /nfs/dbraw/zinc/46/77/69/556467769.db2.gz YRZGFXIDAYRWBI-UHFFFAOYSA-N 0 0 448.489 3.601 50 0 IHAARN O=C(CN1CCC(O)CC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000029122287 556467837 /nfs/dbraw/zinc/46/78/37/556467837.db2.gz YJPWJKRKYPFFIB-UHFFFAOYSA-N 0 0 425.529 3.939 50 0 IHAARN CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)CC1 ZINC000014977481 556469597 /nfs/dbraw/zinc/46/95/97/556469597.db2.gz SXCWZKNLPNODKF-UHFFFAOYSA-N 0 0 434.519 3.514 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000013117450 556469768 /nfs/dbraw/zinc/46/97/68/556469768.db2.gz NXKRIVPWMGQIMI-XMMPIXPASA-N 0 0 435.524 3.674 50 0 IHAARN CCNC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000029226313 556470247 /nfs/dbraw/zinc/47/02/47/556470247.db2.gz WUANDBFJYFVWBA-UHFFFAOYSA-N 0 0 443.301 3.606 50 0 IHAARN COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H](C)Oc2cccc(Cl)c2)O3)nn1 ZINC000014980738 556470637 /nfs/dbraw/zinc/47/06/37/556470637.db2.gz ZJVSUEWPXTXEIJ-IFXJQAMLSA-N 0 0 439.899 3.693 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1C ZINC000072282604 556472661 /nfs/dbraw/zinc/47/26/61/556472661.db2.gz GZDLIOYFMGPUDV-HXUWFJFHSA-N 0 0 444.532 3.766 50 0 IHAARN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000029361163 556473322 /nfs/dbraw/zinc/47/33/22/556473322.db2.gz VJZAPPJDFSNJQF-QFIPXVFZSA-N 0 0 433.596 3.754 50 0 IHAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000013121010 556473528 /nfs/dbraw/zinc/47/35/28/556473528.db2.gz ZUPOZGLGHZNVAW-UHFFFAOYSA-N 0 0 436.533 3.983 50 0 IHAARN CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc32)[C@@H](O)[C@H]1c1ccc(OC)cc1 ZINC000013122288 556474881 /nfs/dbraw/zinc/47/48/81/556474881.db2.gz DULZPFDNCTYXTA-JWQCQUIFSA-N 0 0 449.507 3.558 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)[C@H]1CCc2ccccc21 ZINC000029486421 556476594 /nfs/dbraw/zinc/47/65/94/556476594.db2.gz WPCLCLPTRQOBLB-NRFANRHFSA-N 0 0 426.586 3.816 50 0 IHAARN Cc1occc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1C ZINC000013131384 556480373 /nfs/dbraw/zinc/48/03/73/556480373.db2.gz WFNICTQOQKSBMX-QGZVFWFLSA-N 0 0 428.489 3.836 50 0 IHAARN Cc1csc2nc(CSc3nc4ccccc4c(=O)n3-c3cc(C)ccn3)cc(=O)n12 ZINC000029774011 556482191 /nfs/dbraw/zinc/48/21/91/556482191.db2.gz NQDSDRLBWVIFQR-UHFFFAOYSA-N 0 0 447.545 3.759 50 0 IHAARN O=C(COc1ccc2ccccc2c1Br)NCc1cccnc1-n1ccnc1 ZINC000029908156 556486277 /nfs/dbraw/zinc/48/62/77/556486277.db2.gz FUBPLOFPYWTYNK-UHFFFAOYSA-N 0 0 437.297 3.878 50 0 IHAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000029936303 556486919 /nfs/dbraw/zinc/48/69/19/556486919.db2.gz FCHICWZGJCTRLT-NRFANRHFSA-N 0 0 441.484 3.686 50 0 IHAARN COc1ccc(-n2c(SCC(=O)Nc3ncc(C)s3)nnc2-c2ccncc2)cc1 ZINC000015019415 556487821 /nfs/dbraw/zinc/48/78/21/556487821.db2.gz WOTRUPFZIBZKCH-UHFFFAOYSA-N 0 0 438.538 3.834 50 0 IHAARN CCOC(=O)Cc1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1Cc1ccco1 ZINC000029987495 556488276 /nfs/dbraw/zinc/48/82/76/556488276.db2.gz MPUHFYIHEZJRGD-UHFFFAOYSA-N 0 0 439.497 3.676 50 0 IHAARN O=C(COC(=O)c1ccccc1F)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000013148934 556490305 /nfs/dbraw/zinc/49/03/05/556490305.db2.gz QEUMQZUJWHICSY-UHFFFAOYSA-N 0 0 436.395 3.602 50 0 IHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCOc3ccccc3C)C2=O)cc1 ZINC000013149164 556490756 /nfs/dbraw/zinc/49/07/56/556490756.db2.gz DKHLMIHKVLBGPD-UHFFFAOYSA-N 0 0 446.503 3.887 50 0 IHAARN CCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)CC(=O)Nc1ccc(OC)cc1 ZINC000030223347 556492059 /nfs/dbraw/zinc/49/20/59/556492059.db2.gz SMNKEOHBAFOTMM-UHFFFAOYSA-N 0 0 447.539 3.657 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2nc(N)n[nH]2)cc1 ZINC000013153443 556492958 /nfs/dbraw/zinc/49/29/58/556492958.db2.gz HOYFLSGPNXEBOT-OALUTQOASA-N 0 0 437.550 3.715 50 0 IHAARN CCCCn1c(COC(=O)C2(c3ccccc3)CCC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000030342399 556493062 /nfs/dbraw/zinc/49/30/62/556493062.db2.gz GUXQDETWLQXKLV-UHFFFAOYSA-N 0 0 441.553 3.649 50 0 IHAARN O=C(Nc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1)[C@@H]1CCCO1 ZINC000030506985 556495517 /nfs/dbraw/zinc/49/55/17/556495517.db2.gz ASVFXVTVHXXLCH-NRFANRHFSA-N 0 0 436.512 3.687 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000011067621 556496620 /nfs/dbraw/zinc/49/66/20/556496620.db2.gz XQTWBTVXINTTNZ-CYBMUJFWSA-N 0 0 449.338 3.628 50 0 IHAARN Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC000013164529 556496833 /nfs/dbraw/zinc/49/68/33/556496833.db2.gz JLZXPTXMULOTHF-UHFFFAOYSA-N 0 0 435.549 3.558 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccco3)sc2C)cc1 ZINC000030561118 556497636 /nfs/dbraw/zinc/49/76/36/556497636.db2.gz DCMJNAAZOHHLOS-UHFFFAOYSA-N 0 0 433.555 3.672 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)c(OC)c1 ZINC000015074654 556498496 /nfs/dbraw/zinc/49/84/96/556498496.db2.gz NQXWCAHQQJLKCG-KRWDZBQOSA-N 0 0 430.570 3.643 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000015077184 556499597 /nfs/dbraw/zinc/49/95/97/556499597.db2.gz GWUZMCPLKBUZHZ-HXUWFJFHSA-N 0 0 443.862 3.844 50 0 IHAARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000030704275 556502315 /nfs/dbraw/zinc/50/23/15/556502315.db2.gz HGEXBQRQHMLIPT-DEOSSOPVSA-N 0 0 442.519 3.936 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1F ZINC000015095893 556503590 /nfs/dbraw/zinc/50/35/90/556503590.db2.gz BPSLNVDKIFFCAI-CYBMUJFWSA-N 0 0 433.281 3.767 50 0 IHAARN Cc1cccc(-c2nnc([C@@H](C)N3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)c1 ZINC000032879621 556505147 /nfs/dbraw/zinc/50/51/47/556505147.db2.gz DWHINNYYMVIKQX-QGZVFWFLSA-N 0 0 426.542 3.549 50 0 IHAARN COc1ccc(CCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013425407 556505455 /nfs/dbraw/zinc/50/54/55/556505455.db2.gz UAFKHLZMYXCCQC-UHFFFAOYSA-N 0 0 448.560 3.517 50 0 IHAARN CC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl ZINC000059806326 556506125 /nfs/dbraw/zinc/50/61/25/556506125.db2.gz JNLJKTQMMYGCHR-OAHLLOKOSA-N 0 0 442.947 3.902 50 0 IHAARN CN(CC(=O)N(Cc1c(F)cccc1Cl)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032880004 556507864 /nfs/dbraw/zinc/50/78/64/556507864.db2.gz YPECBHNPYMOCFB-UHFFFAOYSA-N 0 0 445.343 3.944 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc21 ZINC000032880022 556507935 /nfs/dbraw/zinc/50/79/35/556507935.db2.gz HUNFPICTHXOPRQ-UHFFFAOYSA-N 0 0 436.936 3.996 50 0 IHAARN CC(=O)Nc1ccc(OC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 ZINC000032717005 556507944 /nfs/dbraw/zinc/50/79/44/556507944.db2.gz ZZBLYRFOEFJOIV-UHFFFAOYSA-N 0 0 425.491 3.751 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nnc(C)n1-c1ccc(C)cc1 ZINC000015233870 556512932 /nfs/dbraw/zinc/51/29/32/556512932.db2.gz OTMOCKXRBNSDLR-LJQANCHMSA-N 0 0 427.526 3.627 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015269449 556514015 /nfs/dbraw/zinc/51/40/15/556514015.db2.gz GIOKWDDRLLWYOQ-UHFFFAOYSA-N 0 0 442.468 3.958 50 0 IHAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000032898809 556516804 /nfs/dbraw/zinc/51/68/04/556516804.db2.gz IDWOLISWPYYATQ-UHFFFAOYSA-N 0 0 429.565 3.641 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000030952697 556517935 /nfs/dbraw/zinc/51/79/35/556517935.db2.gz ZJPAKCQSTMMHSY-SFHVURJKSA-N 0 0 436.508 3.984 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000013566392 556519475 /nfs/dbraw/zinc/51/94/75/556519475.db2.gz JPJOIDQXNDXRQS-UHFFFAOYSA-N 0 0 445.928 3.865 50 0 IHAARN CCOC(=O)[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000015321278 556520752 /nfs/dbraw/zinc/52/07/52/556520752.db2.gz QGBSTFRTQTXPJH-PCCBWWKXSA-N 0 0 435.476 3.827 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000013570512 556521910 /nfs/dbraw/zinc/52/19/10/556521910.db2.gz CRWZVXWRRCVYGB-HSZRJFAPSA-N 0 0 444.491 3.783 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000013570511 556521972 /nfs/dbraw/zinc/52/19/72/556521972.db2.gz CRWZVXWRRCVYGB-QHCPKHFHSA-N 0 0 444.491 3.783 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C ZINC000015342395 556522141 /nfs/dbraw/zinc/52/21/41/556522141.db2.gz JTYPMIVNGWYZQA-CYBMUJFWSA-N 0 0 434.953 3.517 50 0 IHAARN COc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000015375950 556523517 /nfs/dbraw/zinc/52/35/17/556523517.db2.gz MQUGRQOLFVWHKI-UHFFFAOYSA-N 0 0 435.347 3.891 50 0 IHAARN COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccccc2OC)cc1 ZINC000015413257 556526087 /nfs/dbraw/zinc/52/60/87/556526087.db2.gz IFSVZAMFGGLUKU-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CN(Cc1ccc(OC)cc1)C1CC1 ZINC000015486031 556530505 /nfs/dbraw/zinc/53/05/05/556530505.db2.gz AFYNANHMSHDTKL-UHFFFAOYSA-N 0 0 442.585 3.657 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 ZINC000032899919 556531688 /nfs/dbraw/zinc/53/16/88/556531688.db2.gz LNDWOBKERAMRIH-UHFFFAOYSA-N 0 0 425.536 3.902 50 0 IHAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)no1 ZINC000013596009 556532031 /nfs/dbraw/zinc/53/20/31/556532031.db2.gz DIYRDLPUSYTFCV-IBGZPJMESA-N 0 0 426.561 3.602 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)cc3C2=O)c1 ZINC000015515081 556532362 /nfs/dbraw/zinc/53/23/62/556532362.db2.gz ZDGFZVBOBJCIGA-UHFFFAOYSA-N 0 0 426.432 3.526 50 0 IHAARN CSc1nc2c3c(sc2c(SCC(=O)NC[C@@H]2CCCO2)n1)CC(C)(C)OC3 ZINC000013607968 556533605 /nfs/dbraw/zinc/53/36/05/556533605.db2.gz WTTNCKOBDOXGIK-NSHDSACASA-N 0 0 439.628 3.652 50 0 IHAARN Cn1c(=O)c2sc3c(c2n(Cc2ccc(Cl)cc2Cl)c1=O)COC(C)(C)C3 ZINC000013609301 556534122 /nfs/dbraw/zinc/53/41/22/556534122.db2.gz DDUAXHHBIJEAMN-UHFFFAOYSA-N 0 0 425.337 3.968 50 0 IHAARN Cc1c(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)oc2cc(O)cc(O)c12 ZINC000013609229 556534141 /nfs/dbraw/zinc/53/41/41/556534141.db2.gz MXYHBHQZWROMFB-UHFFFAOYSA-N 0 0 426.856 3.549 50 0 IHAARN Cc1sc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)nc1-c1ccc(F)c(F)c1 ZINC000032902344 556535938 /nfs/dbraw/zinc/53/59/38/556535938.db2.gz JDYXPQPYAPODRJ-UHFFFAOYSA-N 0 0 442.447 3.701 50 0 IHAARN CC(C)C(=O)N[C@]1(CC(=O)c2ccc(Br)cc2)c2ccccc2N(C)C1=O ZINC000013623859 556536137 /nfs/dbraw/zinc/53/61/37/556536137.db2.gz ZKNBUDWUIJBNES-OAQYLSRUSA-N 0 0 429.314 3.666 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013628110 556537954 /nfs/dbraw/zinc/53/79/54/556537954.db2.gz SGLKNPNFKDNYJC-UHFFFAOYSA-N 0 0 427.884 3.513 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000015636604 556539560 /nfs/dbraw/zinc/53/95/60/556539560.db2.gz QFIYTJRIBUTKFK-KBPBESRZSA-N 0 0 449.598 3.559 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCc4ccccc43)C2)s1 ZINC000032903923 556545759 /nfs/dbraw/zinc/54/57/59/556545759.db2.gz BBHCYZCFJYEUFN-AZUAARDMSA-N 0 0 432.611 3.993 50 0 IHAARN CCOC(=O)C1=C(CSc2nncn2-c2ccccc2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000032721657 556547236 /nfs/dbraw/zinc/54/72/36/556547236.db2.gz XABMOZFHTMFBAH-HXUWFJFHSA-N 0 0 449.536 3.539 50 0 IHAARN C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000032721626 556547245 /nfs/dbraw/zinc/54/72/45/556547245.db2.gz DVLCBSMYNLUBGD-OXJNMPFZSA-N 0 0 435.480 3.787 50 0 IHAARN C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)c2ccccc2N1C(=O)OC(C)(C)C ZINC000072303174 556547300 /nfs/dbraw/zinc/54/73/00/556547300.db2.gz WQYIVFIXYBDOIQ-INIZCTEOSA-N 0 0 434.500 3.843 50 0 IHAARN CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000032722327 556547720 /nfs/dbraw/zinc/54/77/20/556547720.db2.gz MXXOUZFLXKUNEW-UHFFFAOYSA-N 0 0 427.507 3.858 50 0 IHAARN CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1 ZINC000072303742 556548164 /nfs/dbraw/zinc/54/81/64/556548164.db2.gz DSQWIAUKEHFXTO-UHFFFAOYSA-N 0 0 425.934 3.904 50 0 IHAARN Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1NC(=O)NCC(C)(C)C[C@@H](C)O ZINC000072304719 556549150 /nfs/dbraw/zinc/54/91/50/556549150.db2.gz RUXHQGARJRMQIH-DLBZAZTESA-N 0 0 436.597 3.832 50 0 IHAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000015778971 556551091 /nfs/dbraw/zinc/55/10/91/556551091.db2.gz FJWPPORLBAKEHY-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000015788362 556551859 /nfs/dbraw/zinc/55/18/59/556551859.db2.gz RGNINCIJCLKAAU-UHFFFAOYSA-N 0 0 448.516 3.611 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015796752 556552118 /nfs/dbraw/zinc/55/21/18/556552118.db2.gz BTDLIEWMPNFRMT-XXBNENTESA-N 0 0 441.597 3.506 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831140 556554714 /nfs/dbraw/zinc/55/47/14/556554714.db2.gz YNGMKMHCGSJCLY-INIZCTEOSA-N 0 0 445.924 3.584 50 0 IHAARN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013676991 556554833 /nfs/dbraw/zinc/55/48/33/556554833.db2.gz WRNPDOWUMMVGPL-UHFFFAOYSA-N 0 0 429.542 3.635 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1Cl ZINC000033115330 556554973 /nfs/dbraw/zinc/55/49/73/556554973.db2.gz WWJIQNNMGVQEFP-GOSISDBHSA-N 0 0 448.972 3.776 50 0 IHAARN CCCCSc1nn(CC(=O)OCC)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839561 556556321 /nfs/dbraw/zinc/55/63/21/556556321.db2.gz KKPFZCPIODTOSD-UHFFFAOYSA-N 0 0 440.569 3.847 50 0 IHAARN CCCSc1nn(CC(=O)OCC)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839559 556556433 /nfs/dbraw/zinc/55/64/33/556556433.db2.gz YLSVRYQPNDGEPU-QHCPKHFHSA-N 0 0 440.569 3.847 50 0 IHAARN O=C(CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O)NCc1cccc(Cl)c1 ZINC000033250126 556556984 /nfs/dbraw/zinc/55/69/84/556556984.db2.gz FTNJXNYWWUJRAW-UHFFFAOYSA-N 0 0 444.825 3.690 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000015854006 556557692 /nfs/dbraw/zinc/55/76/92/556557692.db2.gz RRFBJJNARRVMAA-KBPBESRZSA-N 0 0 446.500 3.931 50 0 IHAARN COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1OC ZINC000013682626 556557744 /nfs/dbraw/zinc/55/77/44/556557744.db2.gz REEWDEQIZHBUPF-KRWDZBQOSA-N 0 0 437.496 3.685 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274722 556559159 /nfs/dbraw/zinc/55/91/59/556559159.db2.gz RRYLZBWPTRGBLT-UHFFFAOYSA-N 0 0 444.597 3.870 50 0 IHAARN CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000032907318 556559186 /nfs/dbraw/zinc/55/91/86/556559186.db2.gz IUKSTTTVCVYONS-GDBMZVCRSA-N 0 0 426.538 3.615 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(-n3nnnc3SC)cc1)CCCC2 ZINC000015869104 556559564 /nfs/dbraw/zinc/55/95/64/556559564.db2.gz VTULZQUGHCZXKA-UHFFFAOYSA-N 0 0 443.554 3.754 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-n1cccc1 ZINC000015881963 556560867 /nfs/dbraw/zinc/56/08/67/556560867.db2.gz HDYFTHDJBNXAAB-UHFFFAOYSA-N 0 0 449.492 3.526 50 0 IHAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2c1 ZINC000015910995 556562749 /nfs/dbraw/zinc/56/27/49/556562749.db2.gz ISPYWHYYWVTFOA-UHFFFAOYSA-N 0 0 430.551 3.815 50 0 IHAARN C[C@](Cc1nc2ccccc2s1)(C(=O)NCCNC(=O)c1ccco1)c1ccccc1 ZINC000032908737 556566047 /nfs/dbraw/zinc/56/60/47/556566047.db2.gz HSCQEPNTGKDDPG-XMMPIXPASA-N 0 0 433.533 3.936 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)C(=O)N(CCC(C)C)C3=O)CC2 ZINC000015977276 556570637 /nfs/dbraw/zinc/57/06/37/556570637.db2.gz ZPXDLJQVTXDOHQ-UHFFFAOYSA-N 0 0 436.508 3.544 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000015998925 556572057 /nfs/dbraw/zinc/57/20/57/556572057.db2.gz RWNHVTYCERGCSB-AFXVXQJMSA-N 0 0 440.455 3.687 50 0 IHAARN CC(=O)Nc1nc(C(=O)O[C@@H]2CCC[C@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000072310691 556576417 /nfs/dbraw/zinc/57/64/17/556576417.db2.gz GZCGLYCFLQKVTK-RTBURBONSA-N 0 0 448.976 3.655 50 0 IHAARN O=C(NCCOC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000072310650 556576463 /nfs/dbraw/zinc/57/64/63/556576463.db2.gz KMPLCVJZFBKXMP-UHFFFAOYSA-N 0 0 433.251 3.558 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1ccccc1 ZINC000016038483 556577679 /nfs/dbraw/zinc/57/76/79/556577679.db2.gz MQVFBDCJGMQHFK-CADBVGFASA-N 0 0 440.286 3.590 50 0 IHAARN COCCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 ZINC000016035547 556577715 /nfs/dbraw/zinc/57/77/15/556577715.db2.gz GEBXDXYHWRRRJJ-GASCZTMLSA-N 0 0 449.642 3.865 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000032909876 556577721 /nfs/dbraw/zinc/57/77/21/556577721.db2.gz QCCZSCRXXLLOAO-UHFFFAOYSA-N 0 0 430.505 3.571 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016038868 556578107 /nfs/dbraw/zinc/57/81/07/556578107.db2.gz GIEBQTPODWOORY-CBPXPLCBSA-N 0 0 444.487 3.546 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O ZINC000016046474 556580283 /nfs/dbraw/zinc/58/02/83/556580283.db2.gz DOYKKJHFEMKLFK-QHCPKHFHSA-N 0 0 427.932 3.934 50 0 IHAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016053406 556581499 /nfs/dbraw/zinc/58/14/99/556581499.db2.gz BPUBNVPXTVHKDN-INIZCTEOSA-N 0 0 448.450 3.935 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016053404 556581529 /nfs/dbraw/zinc/58/15/29/556581529.db2.gz BPUBNVPXTVHKDN-MRXNPFEDSA-N 0 0 448.450 3.935 50 0 IHAARN CCCn1c2ccccc2nc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000034863670 556584310 /nfs/dbraw/zinc/58/43/10/556584310.db2.gz JJJNJVWGAJOYPB-UHFFFAOYSA-N 0 0 435.553 3.975 50 0 IHAARN CN(CCOc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000016173748 556587004 /nfs/dbraw/zinc/58/70/04/556587004.db2.gz VIZSPBBLXYGRCX-UHFFFAOYSA-N 0 0 448.560 3.930 50 0 IHAARN COC(=O)C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccc(OC)c(OC)c1 ZINC000016181935 556587243 /nfs/dbraw/zinc/58/72/43/556587243.db2.gz SVZQGHIPOUWTNE-KRWDZBQOSA-N 0 0 431.872 3.554 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000016212922 556591176 /nfs/dbraw/zinc/59/11/76/556591176.db2.gz LMIPLAQURCUKQZ-HNNXBMFYSA-N 0 0 426.494 3.608 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 ZINC000032913300 556592315 /nfs/dbraw/zinc/59/23/15/556592315.db2.gz VARDXZIPDLKIBZ-KXBFYZLASA-N 0 0 445.354 3.639 50 0 IHAARN CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000016225301 556592403 /nfs/dbraw/zinc/59/24/03/556592403.db2.gz YGWRZDZRJJRFQM-NRFANRHFSA-N 0 0 433.508 3.789 50 0 IHAARN CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000016225299 556592415 /nfs/dbraw/zinc/59/24/15/556592415.db2.gz YGWRZDZRJJRFQM-OAQYLSRUSA-N 0 0 433.508 3.789 50 0 IHAARN CN(C)c1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccn1 ZINC000032913638 556594669 /nfs/dbraw/zinc/59/46/69/556594669.db2.gz FHBCDGOYZQHIAC-UHFFFAOYSA-N 0 0 436.506 3.973 50 0 IHAARN Cc1cc(C)cc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000016269044 556596255 /nfs/dbraw/zinc/59/62/55/556596255.db2.gz RGLOTMWTOYKZIB-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000016278871 556596542 /nfs/dbraw/zinc/59/65/42/556596542.db2.gz CUOVUTIBNDAEKI-IBGZPJMESA-N 0 0 427.432 3.749 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000032974253 556596544 /nfs/dbraw/zinc/59/65/44/556596544.db2.gz FPQMVBCEPLVBBD-UHFFFAOYSA-N 0 0 440.540 3.580 50 0 IHAARN COc1cccc(CN2CCN(Cc3nc(-c4cccs4)oc3C)C[C@H]2CCO)c1 ZINC000036385797 556597881 /nfs/dbraw/zinc/59/78/81/556597881.db2.gz AMRRSPNTQQKCEX-LJQANCHMSA-N 0 0 427.570 3.789 50 0 IHAARN C[C@@H](O)CCc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 ZINC000032913379 556598439 /nfs/dbraw/zinc/59/84/39/556598439.db2.gz VQLCPUYQHOMLQN-CYBMUJFWSA-N 0 0 425.266 3.622 50 0 IHAARN COc1ccc(C(=O)NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000016320422 556600282 /nfs/dbraw/zinc/60/02/82/556600282.db2.gz IKSQWSAXFDKITD-UHFFFAOYSA-N 0 0 425.412 3.527 50 0 IHAARN CC[C@@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000016381597 556603789 /nfs/dbraw/zinc/60/37/89/556603789.db2.gz GWLMNMGLBDBMGE-GOSISDBHSA-N 0 0 433.346 3.920 50 0 IHAARN COc1ccc([C@H]2CCCN2CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000016382284 556603883 /nfs/dbraw/zinc/60/38/83/556603883.db2.gz RTLOMBFIVNVGQV-HXUWFJFHSA-N 0 0 445.947 3.591 50 0 IHAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1OC ZINC000016400574 556605506 /nfs/dbraw/zinc/60/55/06/556605506.db2.gz AHNAXXKQMXMEGG-HNNXBMFYSA-N 0 0 449.598 3.933 50 0 IHAARN CCOC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000016426672 556606821 /nfs/dbraw/zinc/60/68/21/556606821.db2.gz CQVJSIJRIMBFNC-UHFFFAOYSA-N 0 0 441.505 3.970 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(F)cc2)cc1 ZINC000016448165 556608521 /nfs/dbraw/zinc/60/85/21/556608521.db2.gz COBJMKQBZBMKFK-UHFFFAOYSA-N 0 0 434.533 3.822 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C)c(C)c1 ZINC000016448413 556608725 /nfs/dbraw/zinc/60/87/25/556608725.db2.gz HOBMCDMSFJTREK-UHFFFAOYSA-N 0 0 442.537 3.725 50 0 IHAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016468380 556609742 /nfs/dbraw/zinc/60/97/42/556609742.db2.gz YJTIMJDTCXIGJV-UHFFFAOYSA-N 0 0 446.569 3.964 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCc1cc(=O)n2nc(-c3ccccc3C)sc2n1 ZINC000032995978 556611654 /nfs/dbraw/zinc/61/16/54/556611654.db2.gz BMGCFLWJJSXXGU-UHFFFAOYSA-N 0 0 435.509 3.765 50 0 IHAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)CC3)c2c1 ZINC000032996685 556612421 /nfs/dbraw/zinc/61/24/21/556612421.db2.gz GCRPWKVYHWQQSN-UHFFFAOYSA-N 0 0 444.354 3.965 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1 ZINC000038486564 556612833 /nfs/dbraw/zinc/61/28/33/556612833.db2.gz LGOMHENZBLDTDX-UHFFFAOYSA-N 0 0 437.452 3.689 50 0 IHAARN CC(C)(C)OC(=O)N1CC[C@H](COc2cnc(Cl)c(I)c2)C1 ZINC000038534077 556613500 /nfs/dbraw/zinc/61/35/00/556613500.db2.gz YNHFHKOVLUOVIG-JTQLQIEISA-N 0 0 438.693 3.975 50 0 IHAARN COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2C)c1 ZINC000038536866 556613762 /nfs/dbraw/zinc/61/37/62/556613762.db2.gz BOPJXRBBPCJCJI-UHFFFAOYSA-N 0 0 440.525 3.528 50 0 IHAARN CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 ZINC000001737068 556615516 /nfs/dbraw/zinc/61/55/16/556615516.db2.gz HMCJJKKAHGORCY-XFXZXTDPSA-N 0 0 438.987 3.984 50 0 IHAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)cc1NC(=O)C(C)C ZINC000016648514 556619979 /nfs/dbraw/zinc/61/99/79/556619979.db2.gz SJCNKPZHTIQLOB-GOSISDBHSA-N 0 0 444.535 3.964 50 0 IHAARN Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCO)CN2c1cccc(C(F)(F)F)c1 ZINC000038830040 556621297 /nfs/dbraw/zinc/62/12/97/556621297.db2.gz OUPAUSSMKXXOJV-UHFFFAOYSA-N 0 0 444.457 3.522 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCCC2 ZINC000016683094 556624858 /nfs/dbraw/zinc/62/48/58/556624858.db2.gz CVRGWKLVMYFGGI-UHFFFAOYSA-N 0 0 428.554 3.888 50 0 IHAARN COc1ccc(-c2nc3sc(=Cc4ccc(-c5ccc(C(C)=O)cc5)o4)c(=O)n3n2)cc1 ZINC000016732803 556631858 /nfs/dbraw/zinc/63/18/58/556631858.db2.gz RKCJDIMWLMRSBN-BKUYFWCQSA-N 0 0 443.484 3.837 50 0 IHAARN COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(OC)c1 ZINC000016740062 556634263 /nfs/dbraw/zinc/63/42/63/556634263.db2.gz MNDAGLLWLLYKNA-QHCPKHFHSA-N 0 0 444.491 3.665 50 0 IHAARN CCOc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016741763 556635390 /nfs/dbraw/zinc/63/53/90/556635390.db2.gz XIRFAGARJHTYOJ-BESKYLIDSA-N 0 0 433.957 3.968 50 0 IHAARN CCCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O ZINC000016742143 556636124 /nfs/dbraw/zinc/63/61/24/556636124.db2.gz LGAALKICZLIESE-VEYSXCRSSA-N 0 0 449.532 3.675 50 0 IHAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC ZINC000016753566 556638513 /nfs/dbraw/zinc/63/85/13/556638513.db2.gz FYOPBWZEMZHMGB-QFIPXVFZSA-N 0 0 437.492 3.908 50 0 IHAARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000409414590 556639716 /nfs/dbraw/zinc/63/97/16/556639716.db2.gz NBTROFSCVGZXIP-HXUWFJFHSA-N 0 0 436.537 3.688 50 0 IHAARN Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1O ZINC000011711900 556643205 /nfs/dbraw/zinc/64/32/05/556643205.db2.gz SUVGGVBSBBZVQJ-QGZVFWFLSA-N 0 0 432.476 3.987 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2cccnc2)cc3=O)cc1 ZINC000040484425 556643651 /nfs/dbraw/zinc/64/36/51/556643651.db2.gz RVDSOCCGOBNWHF-UHFFFAOYSA-N 0 0 437.459 3.553 50 0 IHAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1 ZINC000037579375 556644336 /nfs/dbraw/zinc/64/43/36/556644336.db2.gz WXMQSJRRKKMOHW-UHFFFAOYSA-N 0 0 430.508 3.612 50 0 IHAARN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(O)n2)c1 ZINC000016840126 556645483 /nfs/dbraw/zinc/64/54/83/556645483.db2.gz YAAMTTDSWKCTMN-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN Cc1ccccc1Oc1cc(N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)ncn1 ZINC000037623567 556648184 /nfs/dbraw/zinc/64/81/84/556648184.db2.gz UCPUUQPFJNRZJJ-FQEVSTJZSA-N 0 0 432.524 3.831 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(C)c5C)c(=O)n4ccn3n2)cc1C ZINC000038487217 556648222 /nfs/dbraw/zinc/64/82/22/556648222.db2.gz GQQCAEFUTDGTQG-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN Cc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccc1Br ZINC000016925813 556649343 /nfs/dbraw/zinc/64/93/43/556649343.db2.gz QRIQKKXLFZCEKZ-UHFFFAOYSA-N 0 0 428.286 3.646 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011743795 556649825 /nfs/dbraw/zinc/64/98/25/556649825.db2.gz MULCILMUOVTTIA-SFHVURJKSA-N 0 0 443.579 3.704 50 0 IHAARN Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000016946208 556649913 /nfs/dbraw/zinc/64/99/13/556649913.db2.gz RFPCMBCJARXACM-UHFFFAOYSA-N 0 0 434.521 3.619 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccsc3)n2C[C@@H]2CCCO2)CC1 ZINC000011747726 556650050 /nfs/dbraw/zinc/65/00/50/556650050.db2.gz DFFWSTZTEVOFRL-SFHVURJKSA-N 0 0 449.646 3.506 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000247994099 556654673 /nfs/dbraw/zinc/65/46/73/556654673.db2.gz OLQMBSNWSZNTKR-YXTQBTIXSA-N 0 0 444.572 3.707 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(SCC(=O)N2CCCC2)nn1 ZINC000011792420 556656296 /nfs/dbraw/zinc/65/62/96/556656296.db2.gz WWXSJDVMCAAFLH-UHFFFAOYSA-N 0 0 439.566 3.875 50 0 IHAARN O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032927564 556656340 /nfs/dbraw/zinc/65/63/40/556656340.db2.gz OCGOICFYUNKZAJ-UHFFFAOYSA-N 0 0 431.316 3.716 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc2sc(NC(C)=O)nc21 ZINC000033007935 556656721 /nfs/dbraw/zinc/65/67/21/556656721.db2.gz HFWYLJMFFFYQOZ-UHFFFAOYSA-N 0 0 429.882 3.857 50 0 IHAARN CN1c2ccccc2C(=O)[C@@H]([C@@H](c2cccs2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000248026089 556657410 /nfs/dbraw/zinc/65/74/10/556657410.db2.gz LQPOTKSFVBZUEB-MZADTFQBSA-N 0 0 444.512 3.783 50 0 IHAARN Cc1c(O)ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)cc(=O)oc12 ZINC000011807963 556657743 /nfs/dbraw/zinc/65/77/43/556657743.db2.gz NNUYOEVHCHIDRV-UHFFFAOYSA-N 0 0 446.435 3.673 50 0 IHAARN Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)CCCC4)cc1 ZINC000017097685 556662022 /nfs/dbraw/zinc/66/20/22/556662022.db2.gz ORBMUWLGRKXQGL-UHFFFAOYSA-N 0 0 431.608 3.937 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000017097655 556662047 /nfs/dbraw/zinc/66/20/47/556662047.db2.gz OZLKJRJMEGQASK-UHFFFAOYSA-N 0 0 431.583 3.638 50 0 IHAARN O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000017102188 556666557 /nfs/dbraw/zinc/66/65/57/556666557.db2.gz RUCUMQPZXDWWFH-UHFFFAOYSA-N 0 0 438.487 3.988 50 0 IHAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)N2C1=O ZINC000248162282 556672780 /nfs/dbraw/zinc/67/27/80/556672780.db2.gz HSJZPQWHEUGUNT-DICRZQGBSA-N 0 0 426.586 3.929 50 0 IHAARN COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000017197808 556672835 /nfs/dbraw/zinc/67/28/35/556672835.db2.gz ZRSWUJMCGVEDDR-NPMXOYFQSA-N 0 0 439.537 3.669 50 0 IHAARN COc1cccc([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000017197878 556672840 /nfs/dbraw/zinc/67/28/40/556672840.db2.gz SXTOFQVIWKMJNX-WNSKOXEYSA-N 0 0 439.537 3.669 50 0 IHAARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)n2)cc1 ZINC000011914423 556673869 /nfs/dbraw/zinc/67/38/69/556673869.db2.gz MBVPYDULHYJBQQ-UHFFFAOYSA-N 0 0 437.521 3.774 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000248187660 556675658 /nfs/dbraw/zinc/67/56/58/556675658.db2.gz JBQKNBOPOYOXCD-ZLNRFVROSA-N 0 0 445.519 3.633 50 0 IHAARN Cc1ccc(-c2cc(C(=O)OCc3cc(=O)n4ccsc4n3)c3c(C)noc3n2)s1 ZINC000011959065 556676770 /nfs/dbraw/zinc/67/67/70/556676770.db2.gz FXDBIVMBXJTWOR-UHFFFAOYSA-N 0 0 438.490 3.995 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 ZINC000011999231 556679861 /nfs/dbraw/zinc/67/98/61/556679861.db2.gz DZBURFSRTNZZKO-UHFFFAOYSA-N 0 0 436.917 3.699 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000238937276 556682126 /nfs/dbraw/zinc/68/21/26/556682126.db2.gz UWTGYNAKLDLHOU-FIAZIHOUSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000001790260 556683892 /nfs/dbraw/zinc/68/38/92/556683892.db2.gz XFJRDBBTDVPIMK-GMQRBVGNSA-N 0 0 441.440 3.723 50 0 IHAARN CCOC(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000024141106 556684999 /nfs/dbraw/zinc/68/49/99/556684999.db2.gz DJRNXGOCZIKYES-UHFFFAOYSA-N 0 0 436.430 3.610 50 0 IHAARN O[C@H](CNc1ccc(F)cc1)COc1ccc(OC[C@@H](O)CNc2ccc(F)cc2)cc1 ZINC000018183089 556686014 /nfs/dbraw/zinc/68/60/14/556686014.db2.gz MUXRNHFHEDCPRX-SZPZYZBQSA-N 0 0 444.478 3.668 50 0 IHAARN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011118193 556687442 /nfs/dbraw/zinc/68/74/42/556687442.db2.gz TUAFFNVPJDDFSI-UHFFFAOYSA-N 0 0 441.322 3.628 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000137646515 556697834 /nfs/dbraw/zinc/69/78/34/556697834.db2.gz UELMKLYKBHWQJF-YTFSRNRJSA-N 0 0 430.460 3.760 50 0 IHAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 ZINC000024266928 556699399 /nfs/dbraw/zinc/69/93/99/556699399.db2.gz JZGPLPGLWYNUCF-UHFFFAOYSA-N 0 0 425.466 3.543 50 0 IHAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCCN4CCOCC4)c3)n2)cc1 ZINC000033025302 556699841 /nfs/dbraw/zinc/69/98/41/556699841.db2.gz XWHBHAJPNFRIDM-UHFFFAOYSA-N 0 0 431.540 3.648 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 ZINC000013704771 556713521 /nfs/dbraw/zinc/71/35/21/556713521.db2.gz IASVWKWIUIIHQZ-UHFFFAOYSA-N 0 0 434.370 3.727 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2c[nH]nc2-c2cccc(Br)c2)CC1 ZINC000072328689 556726449 /nfs/dbraw/zinc/72/64/49/556726449.db2.gz DURLOZPPCWDMJL-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN COc1cccc([C@@H]2[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC ZINC000061720273 556727700 /nfs/dbraw/zinc/72/77/00/556727700.db2.gz AVLSVUZUYBJDPZ-AUUYWEPGSA-N 0 0 425.510 3.780 50 0 IHAARN C[C@H](c1ccncn1)N(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000055041900 556732390 /nfs/dbraw/zinc/73/23/90/556732390.db2.gz NGTZPGFADIYKBR-QGZVFWFLSA-N 0 0 434.569 3.694 50 0 IHAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000055120032 556735282 /nfs/dbraw/zinc/73/52/82/556735282.db2.gz HKTNIXRWGBFQNJ-UHFFFAOYSA-N 0 0 430.512 3.550 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000055327832 556740155 /nfs/dbraw/zinc/74/01/55/556740155.db2.gz VXGVKSVSJOKYHR-LJQANCHMSA-N 0 0 434.005 3.975 50 0 IHAARN O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000033047982 556743422 /nfs/dbraw/zinc/74/34/22/556743422.db2.gz RURLKUQEAAVKFH-HNNXBMFYSA-N 0 0 429.767 3.655 50 0 IHAARN CSCC[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)c1nnc2ccccn21 ZINC000206231966 556748956 /nfs/dbraw/zinc/74/89/56/556748956.db2.gz QWJWKJAZSGZWKO-GOSISDBHSA-N 0 0 438.532 3.720 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000072333039 556749632 /nfs/dbraw/zinc/74/96/32/556749632.db2.gz KOHORSRFEGNGIB-KRWDZBQOSA-N 0 0 426.860 3.743 50 0 IHAARN C[C@H](NC(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1)c1ccc(F)cc1 ZINC000058027431 556754817 /nfs/dbraw/zinc/75/48/17/556754817.db2.gz MVMLUVVHQUGUFI-HNNXBMFYSA-N 0 0 427.501 3.675 50 0 IHAARN COCc1c(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)sc2cccc(F)c21 ZINC000058106563 556758728 /nfs/dbraw/zinc/75/87/28/556758728.db2.gz IXCLVZSYEOOVGV-UHFFFAOYSA-N 0 0 442.512 3.589 50 0 IHAARN Cc1cccc2c(=O)n(CC(=O)Nc3ccc(N4CCc5sccc5C4)cc3)cnc12 ZINC000058152291 556762202 /nfs/dbraw/zinc/76/22/02/556762202.db2.gz SAYCHCIBRDZZTC-UHFFFAOYSA-N 0 0 430.533 3.968 50 0 IHAARN COc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 ZINC000058157225 556762730 /nfs/dbraw/zinc/76/27/30/556762730.db2.gz DOORJEGYOPZMNM-RUZDIDTESA-N 0 0 429.520 3.905 50 0 IHAARN C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000061984074 556763156 /nfs/dbraw/zinc/76/31/56/556763156.db2.gz NRHHGCHOSAJJBK-INIZCTEOSA-N 0 0 434.521 3.622 50 0 IHAARN COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000062001525 556764426 /nfs/dbraw/zinc/76/44/26/556764426.db2.gz WCNYTKMTUZDOOY-VWLOTQADSA-N 0 0 445.519 3.629 50 0 biogenic IHAARN CCOc1ccc2nc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)sc2c1 ZINC000062022699 556766046 /nfs/dbraw/zinc/76/60/46/556766046.db2.gz URMDXQKCFMETRL-UHFFFAOYSA-N 0 0 449.540 3.526 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)O[C@H](C)C(=O)NC2CCCCC2)c1=O ZINC000005335184 556766066 /nfs/dbraw/zinc/76/60/66/556766066.db2.gz VISFBPGDXDLXGJ-QGZVFWFLSA-N 0 0 427.545 3.510 50 0 IHAARN O=C(CNC(=O)Cc1ccccc1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000058163207 556766223 /nfs/dbraw/zinc/76/62/23/556766223.db2.gz HJKKUEXCIGFENH-UHFFFAOYSA-N 0 0 440.297 3.934 50 0 IHAARN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000019471773 556768309 /nfs/dbraw/zinc/76/83/09/556768309.db2.gz FYJZGYGPQSAGED-HNNXBMFYSA-N 0 0 448.497 3.512 50 0 IHAARN COc1cc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1 ZINC000058281069 556777233 /nfs/dbraw/zinc/77/72/33/556777233.db2.gz WFNYHOTWPYANGP-FQEVSTJZSA-N 0 0 436.516 3.775 50 0 IHAARN Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)nn(C)c2n1 ZINC000058296466 556777994 /nfs/dbraw/zinc/77/79/94/556777994.db2.gz JEYUODBYQXGTKH-HOTGVXAUSA-N 0 0 449.555 3.721 50 0 IHAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000058354900 556782412 /nfs/dbraw/zinc/78/24/12/556782412.db2.gz DEBKBUIFOPSJGZ-VGOFRKELSA-N 0 0 435.568 3.666 50 0 IHAARN CN1C(=O)c2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2C1=O ZINC000058366520 556783180 /nfs/dbraw/zinc/78/31/80/556783180.db2.gz MCOZGLYJQPQQGW-UHFFFAOYSA-N 0 0 428.535 3.799 50 0 IHAARN COc1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc(Cl)c1OCC(N)=O ZINC000058393585 556785133 /nfs/dbraw/zinc/78/51/33/556785133.db2.gz PAPOWGCITXXOOX-UHFFFAOYSA-N 0 0 448.306 3.546 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1)N1CCOCC1 ZINC000058438750 556788740 /nfs/dbraw/zinc/78/87/40/556788740.db2.gz WVDWJRVWGRREQB-JOCHJYFZSA-N 0 0 436.984 3.589 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1CC(=O)Nc2ccccc21 ZINC000058530846 556789719 /nfs/dbraw/zinc/78/97/19/556789719.db2.gz NEDVHHZKPVGKBR-HNNXBMFYSA-N 0 0 425.286 3.758 50 0 IHAARN Cn1ccnc1[C@@](O)(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(F)(F)F ZINC000058564162 556789949 /nfs/dbraw/zinc/78/99/49/556789949.db2.gz ROEFNGOANVJGCX-FQEVSTJZSA-N 0 0 437.393 3.808 50 0 IHAARN COc1c(C)cnc(CN(C)C(=O)Nc2cc3c(cc2Br)OCCO3)c1C ZINC000058608795 556790565 /nfs/dbraw/zinc/79/05/65/556790565.db2.gz SKKWZZFAEXTYKF-UHFFFAOYSA-N 0 0 436.306 3.905 50 0 IHAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001467246 556793009 /nfs/dbraw/zinc/79/30/09/556793009.db2.gz AHIDNGKXGALZPJ-NRFANRHFSA-N 0 0 440.496 3.816 50 0 IHAARN Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000058935098 556793143 /nfs/dbraw/zinc/79/31/43/556793143.db2.gz UJAHOXWCYZFTPY-ABSDTBQOSA-N 0 0 436.618 3.638 50 0 IHAARN COc1cc(CN2CCN(Cc3ccccc3Br)CC2)cc(OC)c1OC ZINC000019549858 556795062 /nfs/dbraw/zinc/79/50/62/556795062.db2.gz RIOREGPMVMQGCG-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000059338126 556798230 /nfs/dbraw/zinc/79/82/30/556798230.db2.gz FDPLBOPCIJOFTE-GOSISDBHSA-N 0 0 427.932 3.508 50 0 IHAARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000059338127 556798255 /nfs/dbraw/zinc/79/82/55/556798255.db2.gz FDPLBOPCIJOFTE-SFHVURJKSA-N 0 0 427.932 3.508 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(C[C@@H](C)c3ccccc3)s2)CC1 ZINC000059759583 556804177 /nfs/dbraw/zinc/80/41/77/556804177.db2.gz KBMHEOHJSCPACC-MRXNPFEDSA-N 0 0 429.590 3.997 50 0 IHAARN COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1OC ZINC000003221470 556805412 /nfs/dbraw/zinc/80/54/12/556805412.db2.gz ZOTZIVCUSXHWLJ-XBXARRHUSA-N 0 0 438.307 3.926 50 0 IHAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(Cc1ccsc1)c1cccnc1 ZINC000060379070 556807827 /nfs/dbraw/zinc/80/78/27/556807827.db2.gz CVNGFSWLQSWOQZ-UHFFFAOYSA-N 0 0 427.551 3.974 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000011208364 556813976 /nfs/dbraw/zinc/81/39/76/556813976.db2.gz CTNHSNXLAVCIBP-HXUWFJFHSA-N 0 0 442.537 3.909 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000003560854 556817648 /nfs/dbraw/zinc/81/76/48/556817648.db2.gz SSXGVSJCTVEEFM-UHFFFAOYSA-N 0 0 447.553 3.541 50 0 IHAARN COc1ccccc1CNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062136 556817813 /nfs/dbraw/zinc/81/78/13/556817813.db2.gz PHXRBQMRJRLMDA-UHFFFAOYSA-N 0 0 430.917 3.701 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063176 556818533 /nfs/dbraw/zinc/81/85/33/556818533.db2.gz HANAQKLQFATZOA-NRFANRHFSA-N 0 0 441.940 3.715 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1OC ZINC000033067751 556819604 /nfs/dbraw/zinc/81/96/04/556819604.db2.gz CQJKYGSFONPXAP-UHFFFAOYSA-N 0 0 431.448 3.543 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)nc2c1 ZINC000033068043 556820088 /nfs/dbraw/zinc/82/00/88/556820088.db2.gz WZJBROLFNRSAPU-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3F)nc2c1 ZINC000033067984 556820310 /nfs/dbraw/zinc/82/03/10/556820310.db2.gz OWKFSXXAWBPQJD-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccc(-n2ccn3c(CCCC(=O)N[C@@H](C)c4ccccc4)nnc3c2=O)cc1C ZINC000064591487 556825212 /nfs/dbraw/zinc/82/52/12/556825212.db2.gz FTVIGCWMPFGQRT-IBGZPJMESA-N 0 0 429.524 3.697 50 0 IHAARN COCCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064662304 556826499 /nfs/dbraw/zinc/82/64/99/556826499.db2.gz ZEYWVMUYJQPTMJ-NRFANRHFSA-N 0 0 431.945 3.534 50 0 IHAARN COc1ccc(CN2CCN(Cc3cnc(-c4cccc(C)c4)nc3)C[C@@H]2CCO)cc1C ZINC000019607932 556831237 /nfs/dbraw/zinc/83/12/37/556831237.db2.gz PWGUSUZCRGVPAY-VWLOTQADSA-N 0 0 446.595 3.838 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 ZINC000019615124 556831543 /nfs/dbraw/zinc/83/15/43/556831543.db2.gz YOOJIGDCRQSTMP-NSDYXAQKSA-N 0 0 442.585 3.723 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccncc1)cc2=O)Nc1ccc(F)cc1F ZINC000065305052 556832917 /nfs/dbraw/zinc/83/29/17/556832917.db2.gz ILDIQNZFAUSLIY-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN C[C@@H](Cn1cncn1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000062581026 556836764 /nfs/dbraw/zinc/83/67/64/556836764.db2.gz FROQVJMJEONOKW-INIZCTEOSA-N 0 0 431.587 3.770 50 0 IHAARN O=C(CCCNC(=O)c1ccsc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000062582113 556838219 /nfs/dbraw/zinc/83/82/19/556838219.db2.gz VGHAILSVTIRLIP-UHFFFAOYSA-N 0 0 448.976 3.678 50 0 IHAARN COc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 ZINC000022997642 556838564 /nfs/dbraw/zinc/83/85/64/556838564.db2.gz SCHOKRBLMSBJCK-UHFFFAOYSA-N 0 0 425.554 3.603 50 0 IHAARN COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1COC(C)(C)OC ZINC000066331789 556840103 /nfs/dbraw/zinc/84/01/03/556840103.db2.gz 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ZINC000008838419 556849803 /nfs/dbraw/zinc/84/98/03/556849803.db2.gz GFGSREAGZPRKDD-AWEZNQCLSA-N 0 0 434.823 3.663 50 0 IHAARN O=C(CSc1nc(CC(=O)NCc2cccnc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852383 556850197 /nfs/dbraw/zinc/85/01/97/556850197.db2.gz CGHNWQWCQBXUHF-UHFFFAOYSA-N 0 0 432.958 3.781 50 0 IHAARN CCC(=O)Nc1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078673 556853734 /nfs/dbraw/zinc/85/37/34/556853734.db2.gz KKXRSCFRUXHTJH-UHFFFAOYSA-N 0 0 431.920 3.588 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3ccc(OC)cc3OC)sc2c1 ZINC000033088204 556856280 /nfs/dbraw/zinc/85/62/80/556856280.db2.gz JBVWGLJEJJVWRJ-HNNXBMFYSA-N 0 0 436.493 3.982 50 0 IHAARN Cn1c2ccccc2nc1N1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000033106514 556859201 /nfs/dbraw/zinc/85/92/01/556859201.db2.gz RGCPWIOKKDIUSX-UHFFFAOYSA-N 0 0 432.297 3.829 50 0 IHAARN COc1ccc(C2=NN(CCC(=O)NCCCSC3CCCCC3)C(=O)CC2)cc1 ZINC000004668428 556862678 /nfs/dbraw/zinc/86/26/78/556862678.db2.gz PKQQQVJUQGCVSD-UHFFFAOYSA-N 0 0 431.602 3.984 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000033124745 556864521 /nfs/dbraw/zinc/86/45/21/556864521.db2.gz JTMVFTARJOPVGV-KRWDZBQOSA-N 0 0 431.851 3.830 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128016 556865105 /nfs/dbraw/zinc/86/51/05/556865105.db2.gz DDHUHEWHSKFICE-UHFFFAOYSA-N 0 0 437.521 3.757 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)cc1 ZINC000033140446 556876005 /nfs/dbraw/zinc/87/60/05/556876005.db2.gz KFRYZAQUPQOIIP-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN CCCOc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000011227676 556876276 /nfs/dbraw/zinc/87/62/76/556876276.db2.gz MMCVPFWGLDYKJK-INIZCTEOSA-N 0 0 440.496 3.967 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000033171407 556882392 /nfs/dbraw/zinc/88/23/92/556882392.db2.gz SOBDCZNAGKBGOC-UHFFFAOYSA-N 0 0 436.537 3.809 50 0 IHAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Br)cc1 ZINC000033169834 556884993 /nfs/dbraw/zinc/88/49/93/556884993.db2.gz SDNBLSQHCSZVLF-ZDUSSCGKSA-N 0 0 427.258 3.605 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249347 556889202 /nfs/dbraw/zinc/88/92/02/556889202.db2.gz DLUBVLNGINULJD-UHFFFAOYSA-N 0 0 430.913 3.502 50 0 IHAARN CCOc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 ZINC000033252270 556892673 /nfs/dbraw/zinc/89/26/73/556892673.db2.gz TYVMVYKTCBEQPE-UHFFFAOYSA-N 0 0 425.554 3.901 50 0 IHAARN COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1 ZINC000033252189 556892703 /nfs/dbraw/zinc/89/27/03/556892703.db2.gz LXHYQFZYWIHXJG-UHFFFAOYSA-N 0 0 435.524 3.554 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)N3CCc4ccccc43)nn2)CC1 ZINC000033257918 556895612 /nfs/dbraw/zinc/89/56/12/556895612.db2.gz GTHGQAGQABKVMB-UHFFFAOYSA-N 0 0 433.943 3.968 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1 ZINC000033258226 556895921 /nfs/dbraw/zinc/89/59/21/556895921.db2.gz OFBIFCNKMDFZDF-UHFFFAOYSA-N 0 0 449.511 3.985 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/nfs/dbraw/zinc/93/34/71/556933471.db2.gz PHJORBXQDQSZOY-UHFFFAOYSA-N 0 0 432.484 3.722 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1Cl ZINC000019868589 556935267 /nfs/dbraw/zinc/93/52/67/556935267.db2.gz TYLNMIIENOYTLN-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN COc1cc(CC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc(OC)c1OC ZINC000019883518 556937568 /nfs/dbraw/zinc/93/75/68/556937568.db2.gz URWWFRMMBGUGSP-MRXNPFEDSA-N 0 0 441.553 3.650 50 0 IHAARN COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCCCN1CCOCC1 ZINC000019933427 556949627 /nfs/dbraw/zinc/94/96/27/556949627.db2.gz OGNZGQRMUOBXOL-UHFFFAOYSA-N 0 0 428.573 3.951 50 0 IHAARN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000019939569 556953194 /nfs/dbraw/zinc/95/31/94/556953194.db2.gz MBMPXFOIGZZPNP-QFIPXVFZSA-N 0 0 445.441 3.915 50 0 IHAARN CCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019994650 556957225 /nfs/dbraw/zinc/95/72/25/556957225.db2.gz QPSKDLAZEXWVLG-UHFFFAOYSA-N 0 0 444.582 3.610 50 0 IHAARN Cc1c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)sc2cccc(F)c12 ZINC000020008443 556959360 /nfs/dbraw/zinc/95/93/60/556959360.db2.gz HMEXWHYQNZYTIK-UHFFFAOYSA-N 0 0 449.525 3.727 50 0 IHAARN COc1cccc(/C=C/C(=O)N2CCN(C)c3nc4ccccc4nc32)c1OC(F)F ZINC000036394860 556972049 /nfs/dbraw/zinc/97/20/49/556972049.db2.gz BXAMDENWSAUSDK-ZHACJKMWSA-N 0 0 426.423 3.736 50 0 IHAARN CCOc1c2c(c(Cn3c4ccccc4sc3=O)c(OCC)c1OCC)C(=O)OC2 ZINC000072408067 556972062 /nfs/dbraw/zinc/97/20/62/556972062.db2.gz IMPCOLUWYGUUKS-UHFFFAOYSA-N 0 0 429.494 3.978 50 0 IHAARN COCc1nnc(C(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccc(C)cc34)c2)s1 ZINC000033264006 556973750 /nfs/dbraw/zinc/97/37/50/556973750.db2.gz RJINTHWVMAIAFL-UHFFFAOYSA-N 0 0 449.536 3.699 50 0 IHAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)C1 ZINC000033264523 556974012 /nfs/dbraw/zinc/97/40/12/556974012.db2.gz NBUCVGYUVUBVEA-HXUWFJFHSA-N 0 0 440.975 3.821 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000020068889 556978416 /nfs/dbraw/zinc/97/84/16/556978416.db2.gz ZZGPAPHKRUNMKG-IAGOWNOFSA-N 0 0 433.896 3.785 50 0 IHAARN Cc1cc(S(=O)(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)ccc1F ZINC000097096223 556984388 /nfs/dbraw/zinc/98/43/88/556984388.db2.gz KYJUSJLDMNKBDD-INIZCTEOSA-N 0 0 426.473 3.775 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2SC)CC1 ZINC000096889844 556987815 /nfs/dbraw/zinc/98/78/15/556987815.db2.gz OYDVZAWFBNWCDF-SFHVURJKSA-N 0 0 433.961 3.519 50 0 IHAARN CC1(C)C[C@@H](C(=O)N2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)CCO1 ZINC000076915983 556993884 /nfs/dbraw/zinc/99/38/84/556993884.db2.gz BFXJARHITKMKDR-QFIPXVFZSA-N 0 0 441.616 3.559 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncc(Br)cc1Br ZINC000020170577 556994765 /nfs/dbraw/zinc/99/47/65/556994765.db2.gz SGBUNIAJGPURHU-CQSZACIVSA-N 0 0 444.079 3.905 50 0 IHAARN Cc1cc(CNc2cccc(C(=O)N3CCC[C@@H]3CO)n2)cc(C)c1OCc1ccccn1 ZINC000097165689 556994816 /nfs/dbraw/zinc/99/48/16/556994816.db2.gz ALINFADBBPGLIA-JOCHJYFZSA-N 0 0 446.551 3.881 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2c1 ZINC000020213177 556998932 /nfs/dbraw/zinc/99/89/32/556998932.db2.gz MFEWUDMJIODMHL-UHFFFAOYSA-N 0 0 433.552 3.729 50 0 IHAARN CCn1c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc2n(CC)c1=O ZINC000020215031 556999199 /nfs/dbraw/zinc/99/91/99/556999199.db2.gz NCWKSMAIOFYQDB-UHFFFAOYSA-N 0 0 442.310 3.545 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213959 556999242 /nfs/dbraw/zinc/99/92/42/556999242.db2.gz VPQVCGNSMGMBKM-NRFANRHFSA-N 0 0 425.916 3.569 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020223984 557000709 /nfs/dbraw/zinc/00/07/09/557000709.db2.gz SQMVAUKAZDVJFO-UHFFFAOYSA-N 0 0 440.274 3.918 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnnn1-c1ccc(OC)cc1 ZINC000032941882 557004077 /nfs/dbraw/zinc/00/40/77/557004077.db2.gz FNIWPDCHGMMERN-UHFFFAOYSA-N 0 0 435.509 3.997 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCN1CCOCC1)C3=O ZINC000020308225 557006579 /nfs/dbraw/zinc/00/65/79/557006579.db2.gz IJINOUZSTVAPAZ-NRFANRHFSA-N 0 0 438.911 3.632 50 0 IHAARN O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011253915 557009707 /nfs/dbraw/zinc/00/97/07/557009707.db2.gz NZFJRQJRTJZDJL-HNNXBMFYSA-N 0 0 446.878 3.991 50 0 IHAARN O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011253909 557009718 /nfs/dbraw/zinc/00/97/18/557009718.db2.gz NZFJRQJRTJZDJL-OAHLLOKOSA-N 0 0 446.878 3.991 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc21 ZINC000020355993 557010257 /nfs/dbraw/zinc/01/02/57/557010257.db2.gz BWTHBAQQKHNCEF-UHFFFAOYSA-N 0 0 439.541 3.566 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)c1 ZINC000020355990 557010279 /nfs/dbraw/zinc/01/02/79/557010279.db2.gz ZQCGEKJQHFPOSS-INIZCTEOSA-N 0 0 435.553 3.963 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000020356799 557010838 /nfs/dbraw/zinc/01/08/38/557010838.db2.gz LRGBTCGIDJBQFQ-KTMLPXRHSA-N 0 0 437.587 3.530 50 0 IHAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cc(=O)n2ccccc2n1 ZINC000023127069 557011825 /nfs/dbraw/zinc/01/18/25/557011825.db2.gz ZCHMWICFBVZRDZ-UHFFFAOYSA-N 0 0 432.530 3.962 50 0 IHAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000098003831 557012525 /nfs/dbraw/zinc/01/25/25/557012525.db2.gz WLCUWKGBPUUKJY-YVMONPNESA-N 0 0 425.489 3.653 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)cc(=O)oc2c1 ZINC000020407855 557013726 /nfs/dbraw/zinc/01/37/26/557013726.db2.gz SFSKDJASOUCVSY-UHFFFAOYSA-N 0 0 425.916 3.511 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(C)=O ZINC000020438471 557016985 /nfs/dbraw/zinc/01/69/85/557016985.db2.gz ZXOODZDVQKLXTF-MBDNFAEBSA-N 0 0 436.895 3.761 50 0 IHAARN COC(=O)c1ccccc1NC(=O)COc1cc(-c2ccccc2)c2c(C)nn(C)c2n1 ZINC000045991610 557017048 /nfs/dbraw/zinc/01/70/48/557017048.db2.gz JEBXUOLORUXWIU-UHFFFAOYSA-N 0 0 430.464 3.748 50 0 IHAARN COc1cc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(OC)c1 ZINC000045992630 557018261 /nfs/dbraw/zinc/01/82/61/557018261.db2.gz JAKOPZZLJOKHJE-NSHDSACASA-N 0 0 438.406 3.719 50 0 IHAARN CCc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 ZINC000046004409 557019157 /nfs/dbraw/zinc/01/91/57/557019157.db2.gz VSOPHHYBHHTDTI-UHFFFAOYSA-N 0 0 432.590 3.512 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2Br)cc1 ZINC000021089821 557021409 /nfs/dbraw/zinc/02/14/09/557021409.db2.gz NDRJFLKSLKJMGB-SFHVURJKSA-N 0 0 440.301 3.977 50 0 IHAARN Cc1nc(S[C@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000023138670 557022040 /nfs/dbraw/zinc/02/20/40/557022040.db2.gz XDMGKNLEHNFDCK-OAHLLOKOSA-N 0 0 437.521 3.519 50 0 IHAARN CSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 ZINC000023139518 557024345 /nfs/dbraw/zinc/02/43/45/557024345.db2.gz YJXXUBNENNLEMU-UHFFFAOYSA-N 0 0 438.578 3.921 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1cccc(Cl)c1 ZINC000046031512 557024441 /nfs/dbraw/zinc/02/44/41/557024441.db2.gz AOGNNFZZMDFEKZ-UHFFFAOYSA-N 0 0 429.914 3.744 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1 ZINC000023142205 557024591 /nfs/dbraw/zinc/02/45/91/557024591.db2.gz LHFITUDPAKNCNM-UHFFFAOYSA-N 0 0 444.944 3.685 50 0 IHAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1 ZINC000023143176 557025089 /nfs/dbraw/zinc/02/50/89/557025089.db2.gz JMDNEFVRTVSLQI-UHFFFAOYSA-N 0 0 446.507 3.794 50 0 IHAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c2ccccc2n(CC)c1=O ZINC000010765651 557025168 /nfs/dbraw/zinc/02/51/68/557025168.db2.gz GWYUUDBEHWVBBT-UHFFFAOYSA-N 0 0 449.338 3.617 50 0 IHAARN COc1ccc2nc(N(CCn3cccn3)C(=O)COc3ccccc3OC)sc2c1 ZINC000023144807 557026482 /nfs/dbraw/zinc/02/64/82/557026482.db2.gz WXIABESEKMWWGB-UHFFFAOYSA-N 0 0 438.509 3.622 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N(C)C1=O ZINC000046053873 557027034 /nfs/dbraw/zinc/02/70/34/557027034.db2.gz IZKDUNGCLWHTKU-UHFFFAOYSA-N 0 0 445.972 3.621 50 0 IHAARN O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 ZINC000072275049 557027160 /nfs/dbraw/zinc/02/71/60/557027160.db2.gz FBNWFXQNKCSMTJ-UHFFFAOYSA-N 0 0 446.486 3.841 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)NCc3ccc(Br)cc3)ccc2N(C)C1=O ZINC000046053938 557027284 /nfs/dbraw/zinc/02/72/84/557027284.db2.gz UOEKFXIHXNGECR-UHFFFAOYSA-N 0 0 435.343 3.697 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1 ZINC000046073545 557029897 /nfs/dbraw/zinc/02/98/97/557029897.db2.gz VWXNYPPMZOQIIS-LJQANCHMSA-N 0 0 444.578 3.776 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000046074598 557030708 /nfs/dbraw/zinc/03/07/08/557030708.db2.gz WSQCRVGBEPBPOZ-QGZVFWFLSA-N 0 0 434.521 3.689 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)C1 ZINC000046080079 557035303 /nfs/dbraw/zinc/03/53/03/557035303.db2.gz YDIYLHRRTBUXMH-JOCHJYFZSA-N 0 0 449.551 3.934 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000017190408 557035719 /nfs/dbraw/zinc/03/57/19/557035719.db2.gz GXAPLYFUKUGCNA-HSZRJFAPSA-N 0 0 447.510 3.848 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCCC(=O)Nc2ccc(C)cc2)n1 ZINC000046086561 557035895 /nfs/dbraw/zinc/03/58/95/557035895.db2.gz FESWISBMEYOOSE-UHFFFAOYSA-N 0 0 437.363 3.808 50 0 IHAARN CCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(C)cc1)n(CC)c(=O)n2CC ZINC000046146292 557044521 /nfs/dbraw/zinc/04/45/21/557044521.db2.gz UNGMDYBLAZRRMD-UHFFFAOYSA-N 0 0 429.542 3.723 50 0 IHAARN O=C(NCc1ccccn1)c1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 ZINC000048235245 557046940 /nfs/dbraw/zinc/04/69/40/557046940.db2.gz DTUKSCUQKUAQLD-HSZRJFAPSA-N 0 0 445.523 3.620 50 0 IHAARN COc1cccc(-n2cnn(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2=S)c1 ZINC000022927395 557048943 /nfs/dbraw/zinc/04/89/43/557048943.db2.gz PXXUZXPMXNSMCE-UHFFFAOYSA-N 0 0 429.977 3.841 50 0 IHAARN COc1ccccc1CNC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271777 557050107 /nfs/dbraw/zinc/05/01/07/557050107.db2.gz YFOUZJOVCLRGNK-UHFFFAOYSA-N 0 0 445.376 3.888 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c1 ZINC000022932079 557050479 /nfs/dbraw/zinc/05/04/79/557050479.db2.gz JGNULVLXKZPSRM-UHFFFAOYSA-N 0 0 437.565 3.753 50 0 IHAARN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022932475 557050816 /nfs/dbraw/zinc/05/08/16/557050816.db2.gz GTMZZRPPEPMQGW-RXVVDRJESA-N 0 0 434.609 3.996 50 0 IHAARN C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCN(Cc3csc4ccccc34)CC1)C2=O ZINC000022933738 557051259 /nfs/dbraw/zinc/05/12/59/557051259.db2.gz UNNUTSFNDHWWMU-ROUUACIJSA-N 0 0 440.613 3.723 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)c(C)c1 ZINC000033273372 557051547 /nfs/dbraw/zinc/05/15/47/557051547.db2.gz PUAHWXIETPZUJZ-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN CC(C)(C)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000048250077 557051567 /nfs/dbraw/zinc/05/15/67/557051567.db2.gz OIQOJTBKASBTOK-SFHVURJKSA-N 0 0 437.587 3.678 50 0 IHAARN CCOc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)cc1 ZINC000033273623 557052161 /nfs/dbraw/zinc/05/21/61/557052161.db2.gz GJKUJPGXKYNBEB-UHFFFAOYSA-N 0 0 448.523 3.686 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000048288439 557053951 /nfs/dbraw/zinc/05/39/51/557053951.db2.gz GEHQPRFWWUZBTL-HUUCEWRRSA-N 0 0 426.542 3.579 50 0 IHAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(=O)N3CCCC3)c12 ZINC000048289203 557054320 /nfs/dbraw/zinc/05/43/20/557054320.db2.gz HOMANZZSHQDEJW-UHFFFAOYSA-N 0 0 432.402 3.569 50 0 IHAARN CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)n2)cc1 ZINC000048289785 557054831 /nfs/dbraw/zinc/05/48/31/557054831.db2.gz AOMDAFNAFWEUPB-JOCHJYFZSA-N 0 0 432.524 3.685 50 0 IHAARN CC(C)(C)c1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000048290833 557055419 /nfs/dbraw/zinc/05/54/19/557055419.db2.gz XSQQENYVTCODAS-OAQYLSRUSA-N 0 0 436.531 3.792 50 0 IHAARN CCn1c(CN(C)S(=O)(=O)c2cc(C)c(C)cc2C)nc2cc(C(=O)N(C)C)ccc21 ZINC000033275878 557055828 /nfs/dbraw/zinc/05/58/28/557055828.db2.gz ZUEMCUNCWGEOIE-UHFFFAOYSA-N 0 0 442.585 3.504 50 0 IHAARN CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1 ZINC000033276980 557057821 /nfs/dbraw/zinc/05/78/21/557057821.db2.gz HEHVOULPQZUMTQ-UHFFFAOYSA-N 0 0 438.484 3.540 50 0 IHAARN CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4C)ccc3n2C)cc1 ZINC000033276990 557057923 /nfs/dbraw/zinc/05/79/23/557057923.db2.gz UYEBHWRKPBVBNV-UHFFFAOYSA-N 0 0 434.521 3.709 50 0 IHAARN Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1C ZINC000033279541 557062304 /nfs/dbraw/zinc/06/23/04/557062304.db2.gz GEWYJBILVLKAAO-UHFFFAOYSA-N 0 0 446.554 3.599 50 0 IHAARN Cc1ccc(OCCOC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000023078682 557062443 /nfs/dbraw/zinc/06/24/43/557062443.db2.gz CIPGLERDNUSRIQ-UHFFFAOYSA-N 0 0 431.554 3.635 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000048302289 557063341 /nfs/dbraw/zinc/06/33/41/557063341.db2.gz WRIUSJGKZLKNKS-JYBIWHBTSA-N 0 0 435.540 3.631 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3c(C)cccc3C)n(C)c(=O)c1n2C ZINC000033287673 557064892 /nfs/dbraw/zinc/06/48/92/557064892.db2.gz UCEVBWBPCNECMM-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc21 ZINC000048324006 557064915 /nfs/dbraw/zinc/06/49/15/557064915.db2.gz WRVBZDRPIZVOMI-OAHLLOKOSA-N 0 0 432.351 3.729 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)c1nnc(-c2cccs2)n1C ZINC000048354439 557072664 /nfs/dbraw/zinc/07/26/64/557072664.db2.gz MZNTZBLFCJDKBU-UHFFFAOYSA-N 0 0 447.973 3.724 50 0 IHAARN O=S(=O)(c1cccn2c(SCc3ccc(F)cc3Cl)nnc12)N1CCCCC1 ZINC000033300343 557079414 /nfs/dbraw/zinc/07/94/14/557079414.db2.gz FEAZZGNEKQIDLL-UHFFFAOYSA-N 0 0 440.953 3.989 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000023257511 557079855 /nfs/dbraw/zinc/07/98/55/557079855.db2.gz UXGDXHGLGMPBEO-QVKFZJNVSA-N 0 0 439.025 3.613 50 0 IHAARN COc1ccc(-c2nn(CN3CCN(CCOc4ccccc4)CC3)c(=S)o2)cc1 ZINC000023257439 557079899 /nfs/dbraw/zinc/07/98/99/557079899.db2.gz UBHYXKZCJVAWAI-UHFFFAOYSA-N 0 0 426.542 3.535 50 0 IHAARN O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2ccc(F)c(Br)c2)no1 ZINC000033300454 557080576 /nfs/dbraw/zinc/08/05/76/557080576.db2.gz OWOYYZPSHULZNB-UHFFFAOYSA-N 0 0 431.196 3.990 50 0 IHAARN COc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccc(C)cc4)c3=O)n2)c1 ZINC000048986442 557082277 /nfs/dbraw/zinc/08/22/77/557082277.db2.gz FEUYMUKLSMCEFV-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN Cc1ccccc1-c1noc(Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)n1 ZINC000048986972 557082535 /nfs/dbraw/zinc/08/25/35/557082535.db2.gz RAVZTHCZWYWOAA-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)cc1F ZINC000033300838 557082787 /nfs/dbraw/zinc/08/27/87/557082787.db2.gz HXKBLAWUIMXPGT-UHFFFAOYSA-N 0 0 443.533 3.513 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCOC)c(=O)c32)cc1 ZINC000048987972 557082917 /nfs/dbraw/zinc/08/29/17/557082917.db2.gz XAYVSSGEVHOQHF-UHFFFAOYSA-N 0 0 430.508 3.713 50 0 IHAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(OC)ccc3OC)c2c1=O ZINC000048989473 557083472 /nfs/dbraw/zinc/08/34/72/557083472.db2.gz HGZAQZBOLVMWNS-UHFFFAOYSA-N 0 0 432.480 3.541 50 0 IHAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCCc4ccccc4)c3)n2)cc1 ZINC000049005930 557084484 /nfs/dbraw/zinc/08/44/84/557084484.db2.gz FEKOHIKOALYFEF-UHFFFAOYSA-N 0 0 428.492 3.623 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NC[C@H](C)c2ccccc2)c(=O)n3C(C)C)no1 ZINC000033306852 557084568 /nfs/dbraw/zinc/08/45/68/557084568.db2.gz PEUQEOFCIVXIPC-INIZCTEOSA-N 0 0 433.512 3.662 50 0 IHAARN Cc1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000011325827 557089176 /nfs/dbraw/zinc/08/91/76/557089176.db2.gz DSZYUDFIOFDPSA-UHFFFAOYSA-N 0 0 433.549 3.774 50 0 IHAARN Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C3(c4cccs4)CCCC3)n2)s1 ZINC000049030806 557089324 /nfs/dbraw/zinc/08/93/24/557089324.db2.gz ORSWMWWWWGQJQU-UHFFFAOYSA-N 0 0 428.583 3.673 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c1 ZINC000049003668 557091754 /nfs/dbraw/zinc/09/17/54/557091754.db2.gz JLBPJOFTMSXMKV-UHFFFAOYSA-N 0 0 443.507 3.893 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000023446362 557092502 /nfs/dbraw/zinc/09/25/02/557092502.db2.gz TZQFKWRNSMSITM-UHFFFAOYSA-N 0 0 449.580 3.643 50 0 IHAARN CCOc1ccc(-c2n[nH]cc2CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000033310149 557093227 /nfs/dbraw/zinc/09/32/27/557093227.db2.gz DEVGPMXRLHTMBT-UHFFFAOYSA-N 0 0 425.432 3.973 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1COc1ccc(C(=O)N2CCCC2)cc1 ZINC000033310549 557094287 /nfs/dbraw/zinc/09/42/87/557094287.db2.gz XBFIIKVZZYSZES-HXUWFJFHSA-N 0 0 426.488 3.511 50 0 IHAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310616 557094671 /nfs/dbraw/zinc/09/46/71/557094671.db2.gz LQMXCWMRFGGNRH-SFHVURJKSA-N 0 0 446.906 3.635 50 0 IHAARN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1nc2ccc(Cl)cc2s1 ZINC000049389243 557095079 /nfs/dbraw/zinc/09/50/79/557095079.db2.gz JORJCTWKBIXMFI-UHFFFAOYSA-N 0 0 430.873 3.559 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)CN3CCN(c4ccc5c(c4)OCO5)C3=O)c2)cs1 ZINC000049389374 557095083 /nfs/dbraw/zinc/09/50/83/557095083.db2.gz HOHPSKZXCJDFBD-UHFFFAOYSA-N 0 0 436.493 3.728 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023534560 557096155 /nfs/dbraw/zinc/09/61/55/557096155.db2.gz AVPGRMAVWSKYJW-QFIPXVFZSA-N 0 0 430.508 3.763 50 0 IHAARN COC(=O)c1cn(Cc2ccccc2Cl)nc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000049402317 557098001 /nfs/dbraw/zinc/09/80/01/557098001.db2.gz MXVJCUUHSDPEKH-UHFFFAOYSA-N 0 0 433.917 3.505 50 0 IHAARN O=C(Cn1ncc(Br)c(Br)c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000023557657 557098411 /nfs/dbraw/zinc/09/84/11/557098411.db2.gz UKINOIWHZVKSCY-UHFFFAOYSA-N 0 0 430.140 3.554 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2 ZINC000023564856 557099060 /nfs/dbraw/zinc/09/90/60/557099060.db2.gz BXZXXOAJMLGPSE-INIZCTEOSA-N 0 0 428.554 3.934 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3ccc(F)cc3)cccn12 ZINC000049404937 557100050 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O=C(NCc1ccncc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421211 557107744 /nfs/dbraw/zinc/10/77/44/557107744.db2.gz ZCWBQRXUQZNNPN-GOSISDBHSA-N 0 0 445.548 3.579 50 0 IHAARN Cc1nc2nc(-c3cccnc3)nn2c(C)c1CC(=O)Nc1ccc(Br)cc1 ZINC000086070023 557108421 /nfs/dbraw/zinc/10/84/21/557108421.db2.gz GAKLPPXFZARWLZ-UHFFFAOYSA-N 0 0 437.301 3.747 50 0 IHAARN Cc1nn(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1-c1ccco1 ZINC000585148427 557109070 /nfs/dbraw/zinc/10/90/70/557109070.db2.gz XDSRNEBQVMJVKR-UHFFFAOYSA-N 0 0 427.448 3.898 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000049545722 557111483 /nfs/dbraw/zinc/11/14/83/557111483.db2.gz IUKDIFOGSCLRAD-MRXNPFEDSA-N 0 0 440.341 3.810 50 0 IHAARN COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049547127 557112217 /nfs/dbraw/zinc/11/22/17/557112217.db2.gz DPAZCFIXHIMEPK-HNNXBMFYSA-N 0 0 444.484 3.812 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl ZINC000585152226 557112429 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557123780 /nfs/dbraw/zinc/12/37/80/557123780.db2.gz VUFKSZWWHAJLKI-UHFFFAOYSA-N 0 0 439.537 3.573 50 0 IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCCC1=CCCCC1 ZINC000004790486 557123915 /nfs/dbraw/zinc/12/39/15/557123915.db2.gz DXBSLMSAYLEGQO-QGZVFWFLSA-N 0 0 430.520 3.616 50 0 IHAARN O=c1c2c(cnn1Cc1ccccc1)Sc1cnn(Cc3ccccc3)c(=O)c1S2 ZINC000000641783 557124137 /nfs/dbraw/zinc/12/41/37/557124137.db2.gz ULJKZQLRMBSARU-UHFFFAOYSA-N 0 0 432.530 3.512 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000024706222 557124474 /nfs/dbraw/zinc/12/44/74/557124474.db2.gz IDUAKTYEVLNPCV-UHFFFAOYSA-N 0 0 434.448 3.714 50 0 IHAARN O=C(Nc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1)c1cccs1 ZINC000023907917 557124527 /nfs/dbraw/zinc/12/45/27/557124527.db2.gz XTIZOTXMNFMHPH-OAQYLSRUSA-N 0 0 435.549 3.804 50 0 IHAARN O=C(Nc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1)c1cccs1 ZINC000023908634 557125196 /nfs/dbraw/zinc/12/51/96/557125196.db2.gz YDVZRDUVXFFAFZ-NRFANRHFSA-N 0 0 435.549 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ZINC000011444278 557148406 /nfs/dbraw/zinc/14/84/06/557148406.db2.gz BBKFYIUHNWJDPP-UHFFFAOYSA-N 0 0 446.569 3.906 50 0 IHAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n(C[C@H]2CCCO2)c1C ZINC000024514151 557149645 /nfs/dbraw/zinc/14/96/45/557149645.db2.gz FBWLENZBCWSPSD-WMLDXEAASA-N 0 0 428.558 3.535 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000024527752 557150071 /nfs/dbraw/zinc/15/00/71/557150071.db2.gz SHOFVAJXQDZONF-NSHDSACASA-N 0 0 426.826 3.954 50 0 IHAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000024528199 557150149 /nfs/dbraw/zinc/15/01/49/557150149.db2.gz CARKYMAMBROHSK-UHFFFAOYSA-N 0 0 431.359 3.859 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)ccc1F ZINC000011463580 557151409 /nfs/dbraw/zinc/15/14/09/557151409.db2.gz NNOBNBHQYWVGEH-AWEZNQCLSA-N 0 0 446.500 3.766 50 0 IHAARN COc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000006443606 557152239 /nfs/dbraw/zinc/15/22/39/557152239.db2.gz FXKCTMRSTHRJKZ-UHFFFAOYSA-N 0 0 431.492 3.957 50 0 IHAARN COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957225 557154161 /nfs/dbraw/zinc/15/41/61/557154161.db2.gz SGMYZOWWMWXCOR-UHFFFAOYSA-N 0 0 432.542 3.501 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2)c1C ZINC000024824401 557154967 /nfs/dbraw/zinc/15/49/67/557154967.db2.gz FSGPNSHRDYZEEE-UHFFFAOYSA-N 0 0 429.423 3.889 50 0 IHAARN Cc1nnc2sc(-c3ccc(CNS(=O)(=O)c4cc(Cl)ccc4C)cc3)nn12 ZINC000095116507 557156430 /nfs/dbraw/zinc/15/64/30/557156430.db2.gz USSQOFNHMFKNOD-UHFFFAOYSA-N 0 0 433.946 3.602 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000024671884 557158397 /nfs/dbraw/zinc/15/83/97/557158397.db2.gz JXZWGKVKFCOXTC-ZDUSSCGKSA-N 0 0 425.526 3.848 50 0 IHAARN COc1ccc(COn2c(=O)c(-c3ccc(Cl)cc3)[n+]([O-])c3ccccc32)cc1OC ZINC000016957316 557158836 /nfs/dbraw/zinc/15/88/36/557158836.db2.gz JTULFJCUOBOCRW-UHFFFAOYSA-N 0 0 438.867 3.601 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c1)c1cccs1 ZINC000024702244 557159112 /nfs/dbraw/zinc/15/91/12/557159112.db2.gz BACMJXNWWWUJJI-UHFFFAOYSA-N 0 0 434.521 3.886 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000024749634 557162081 /nfs/dbraw/zinc/16/20/81/557162081.db2.gz RIRHRLAUGNHPJN-UHFFFAOYSA-N 0 0 439.942 3.824 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000024757820 557163673 /nfs/dbraw/zinc/16/36/73/557163673.db2.gz GRYPFWAKEKVTGW-ROUUACIJSA-N 0 0 447.576 3.673 50 0 IHAARN O=C1C(=Cc2ccc(-n3cncn3)c(F)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000024771948 557165912 /nfs/dbraw/zinc/16/59/12/557165912.db2.gz GBZGKFYKHFLSHE-NVNXTCNLSA-N 0 0 449.389 3.567 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024772848 557166242 /nfs/dbraw/zinc/16/62/42/557166242.db2.gz ZLBFNWJAAYFYPT-FQEVSTJZSA-N 0 0 445.500 3.917 50 0 IHAARN CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000024830507 557170239 /nfs/dbraw/zinc/17/02/39/557170239.db2.gz ZCORCXDDANOYFJ-UHFFFAOYSA-N 0 0 438.918 3.513 50 0 IHAARN COc1ccc(CNC(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cc1OC ZINC000207017288 557170722 /nfs/dbraw/zinc/17/07/22/557170722.db2.gz RICWGIABFIWMRN-INIZCTEOSA-N 0 0 442.541 3.980 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000024832838 557171150 /nfs/dbraw/zinc/17/11/50/557171150.db2.gz UFAKMARMUYGXSB-UBSBWAOCSA-N 0 0 446.572 3.769 50 0 IHAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CSc1cccc[n+]1[O-])OCCO3 ZINC000024842437 557173600 /nfs/dbraw/zinc/17/36/00/557173600.db2.gz OXSJRXXIMBLWKH-INIZCTEOSA-N 0 0 426.538 3.599 50 0 IHAARN CCn1cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccc(C)nc21 ZINC000000778722 557173986 /nfs/dbraw/zinc/17/39/86/557173986.db2.gz JAHBLKSOSSORJX-UHFFFAOYSA-N 0 0 433.386 3.539 50 0 IHAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000024864286 557174889 /nfs/dbraw/zinc/17/48/89/557174889.db2.gz HWEZPPAHQBYXET-UHFFFAOYSA-N 0 0 427.492 3.978 50 0 IHAARN Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000024865780 557175263 /nfs/dbraw/zinc/17/52/63/557175263.db2.gz ZQTLLZOSXAGNHA-UHFFFAOYSA-N 0 0 449.985 3.841 50 0 IHAARN O=C(Oc1ccc(-c2ccccc2)cc1Cl)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000024906807 557178295 /nfs/dbraw/zinc/17/82/95/557178295.db2.gz BSTKLFAVSXNRKY-UHFFFAOYSA-N 0 0 434.887 3.662 50 0 IHAARN O=C(Nc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1)c1cccs1 ZINC000024929379 557180905 /nfs/dbraw/zinc/18/09/05/557180905.db2.gz RFJZVWDLOHDYCZ-UHFFFAOYSA-N 0 0 427.570 3.765 50 0 IHAARN CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccccc1F ZINC000009095891 557181869 /nfs/dbraw/zinc/18/18/69/557181869.db2.gz WLJNQTQBJDPFSR-QGZVFWFLSA-N 0 0 427.505 3.645 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000010970753 557181970 /nfs/dbraw/zinc/18/19/70/557181970.db2.gz MNDFZMMQCGSRGQ-UHFFFAOYSA-N 0 0 432.543 3.508 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C=Cc1cccc(Cl)c1 ZINC000097986345 557182830 /nfs/dbraw/zinc/18/28/30/557182830.db2.gz CCWWZTCPWIKXSM-HJWRWDBZSA-N 0 0 427.888 3.656 50 0 IHAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000024968880 557183381 /nfs/dbraw/zinc/18/33/81/557183381.db2.gz YEAUVNXNXHPGFI-QHCPKHFHSA-N 0 0 448.567 3.635 50 0 IHAARN CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc2c(c1)OCO2 ZINC000009290002 557183679 /nfs/dbraw/zinc/18/36/79/557183679.db2.gz JDBSLQWKFUMWKZ-UHFFFAOYSA-N 0 0 427.482 3.686 50 0 IHAARN C[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000024971555 557183973 /nfs/dbraw/zinc/18/39/73/557183973.db2.gz ZIQNBYZDXUEAFO-INIZCTEOSA-N 0 0 433.512 3.517 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000009263545 557184933 /nfs/dbraw/zinc/18/49/33/557184933.db2.gz PXPKEVAELWQTGG-UHFFFAOYSA-N 0 0 434.468 3.895 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1 ZINC000024979080 557185291 /nfs/dbraw/zinc/18/52/91/557185291.db2.gz YAOFOBQDDLAASC-UHFFFAOYSA-N 0 0 439.537 3.879 50 0 IHAARN COc1cccc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1OC ZINC000024991687 557187677 /nfs/dbraw/zinc/18/76/77/557187677.db2.gz ZTRZKGFEVDAYHH-MRXNPFEDSA-N 0 0 433.526 3.624 50 0 IHAARN CCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100821117 557188271 /nfs/dbraw/zinc/18/82/71/557188271.db2.gz DIRVPGFKBOKYIU-XDOYNYLZSA-N 0 0 449.985 3.902 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000025045743 557190462 /nfs/dbraw/zinc/19/04/62/557190462.db2.gz DKRSVHXOPGTPLV-SFHVURJKSA-N 0 0 438.524 3.701 50 0 IHAARN O=C(COc1cccc(-n2cnnn2)c1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000025046782 557190655 /nfs/dbraw/zinc/19/06/55/557190655.db2.gz FZKLDBSOCHZVGQ-OAQYLSRUSA-N 0 0 429.505 3.921 50 0 IHAARN COc1cccc(C(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 ZINC000009582781 557190624 /nfs/dbraw/zinc/19/06/24/557190624.db2.gz BWFJZUYEMDXSQL-HXUWFJFHSA-N 0 0 438.553 3.926 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000025159060 557197605 /nfs/dbraw/zinc/19/76/05/557197605.db2.gz FESCGFDALDTLLC-HXUWFJFHSA-N 0 0 429.879 3.633 50 0 IHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(Br)s1 ZINC000100876031 557197603 /nfs/dbraw/zinc/19/76/03/557197603.db2.gz RYJNCCIOCJPUMH-VLGSPTGOSA-N 0 0 425.329 3.749 50 0 IHAARN Cc1ccc(N2C(=O)C3=C(C)C[C@H]([C@@H]4CC(=O)N(c5ccc(C)cc5)C4=O)C[C@H]3C2=O)cc1 ZINC000169301216 557201069 /nfs/dbraw/zinc/20/10/69/557201069.db2.gz CPQIYYIWZOCUGT-IVDSKFSHSA-N 0 0 442.515 3.955 50 0 IHAARN COc1ccc2c(c1)[C@H](N(CC(=O)NCCCOC(C)C)Cc1ccccc1)CCO2 ZINC000072296472 557201542 /nfs/dbraw/zinc/20/15/42/557201542.db2.gz CPIVUETWCVOSTO-HSZRJFAPSA-N 0 0 426.557 3.952 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100944447 557203411 /nfs/dbraw/zinc/20/34/11/557203411.db2.gz WLYGHPXQUHHAAU-OAQYLSRUSA-N 0 0 441.553 3.750 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000100944516 557203419 /nfs/dbraw/zinc/20/34/19/557203419.db2.gz KYKHNVFLZQKXCN-FQEVSTJZSA-N 0 0 427.526 3.502 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C ZINC000011603288 557207642 /nfs/dbraw/zinc/20/76/42/557207642.db2.gz RMKFWRRICSBXFG-QFBILLFUSA-N 0 0 433.961 3.571 50 0 IHAARN CN1C(=O)c2ccc(NC(=O)COC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2C1=O ZINC000025441049 557209659 /nfs/dbraw/zinc/20/96/59/557209659.db2.gz UITQTRHBUFCFIH-UHFFFAOYSA-N 0 0 440.883 3.560 50 0 IHAARN O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000025446664 557210010 /nfs/dbraw/zinc/21/00/10/557210010.db2.gz PEEBGNZUOVQLTQ-UHFFFAOYSA-N 0 0 447.003 3.527 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247743920 557212645 /nfs/dbraw/zinc/21/26/45/557212645.db2.gz PHGWNIYLGMQIHQ-YCAMKHIRSA-N 0 0 435.483 3.841 50 0 IHAARN COc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000010992681 557218984 /nfs/dbraw/zinc/21/89/84/557218984.db2.gz FPBNVFGWFGSZEO-UHFFFAOYSA-N 0 0 429.476 3.816 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000025607793 557219058 /nfs/dbraw/zinc/21/90/58/557219058.db2.gz MLUBWUIJIRBZCN-OAHLLOKOSA-N 0 0 444.520 3.672 50 0 IHAARN Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O ZINC000011644950 557219184 /nfs/dbraw/zinc/21/91/84/557219184.db2.gz KTXQPDDXISZSOX-UHFFFAOYSA-N 0 0 429.476 3.979 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCCNC(=O)c3ccco3)n2)c(F)c1 ZINC000010994109 557220052 /nfs/dbraw/zinc/22/00/52/557220052.db2.gz NKYHLNGOBNVROP-UHFFFAOYSA-N 0 0 430.461 3.649 50 0 IHAARN O=C(CCNC(=O)c1ccsc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000069948246 557221981 /nfs/dbraw/zinc/22/19/81/557221981.db2.gz VBPIIVWVRVUPSV-FQEVSTJZSA-N 0 0 436.512 3.915 50 0 IHAARN COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000024387117 557225146 /nfs/dbraw/zinc/22/51/46/557225146.db2.gz SUDWTCLWCUGEHK-UHFFFAOYSA-N 0 0 425.273 3.694 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025807583 557227152 /nfs/dbraw/zinc/22/71/52/557227152.db2.gz PSFRILHKBSVNMC-CQSZACIVSA-N 0 0 446.550 3.751 50 0 IHAARN CC(C)Cn1cnc2c1c(=O)n(Cc1cccc3cccnc31)c(=O)n2Cc1ccccc1 ZINC000025832300 557228190 /nfs/dbraw/zinc/22/81/90/557228190.db2.gz UCWTYCZGEBOLRJ-UHFFFAOYSA-N 0 0 439.519 3.661 50 0 IHAARN COc1ccc(-c2nc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cs2)cc1OC ZINC000025844120 557228423 /nfs/dbraw/zinc/22/84/23/557228423.db2.gz PRAJNCIRXPTYFX-LJQANCHMSA-N 0 0 426.494 3.814 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)s1 ZINC000025920128 557230414 /nfs/dbraw/zinc/23/04/14/557230414.db2.gz FMKBYEAPOGOYLE-UHFFFAOYSA-N 0 0 427.522 3.912 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)o2)c(C)c1Br ZINC000072255815 557231317 /nfs/dbraw/zinc/23/13/17/557231317.db2.gz COMCSRJJXPNGLE-UHFFFAOYSA-N 0 0 441.289 3.941 50 0 IHAARN C[C@H](c1nnc(SCCn2c(=O)oc3ccccc32)n1-c1ccc(F)cc1)N(C)C ZINC000026011215 557232127 /nfs/dbraw/zinc/23/21/27/557232127.db2.gz YNPUEPUFFSJHRG-CQSZACIVSA-N 0 0 427.505 3.729 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000018046458 557233282 /nfs/dbraw/zinc/23/32/82/557233282.db2.gz MXYIXAZWSAUGRN-AFXVXQJMSA-N 0 0 439.446 3.587 50 0 IHAARN Cc1nc2scc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)n2c(=O)c1C ZINC000011696659 557233292 /nfs/dbraw/zinc/23/32/92/557233292.db2.gz VDSAOZNQZXQMJE-UHFFFAOYSA-N 0 0 429.498 3.980 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026062745 557233333 /nfs/dbraw/zinc/23/33/33/557233333.db2.gz VVLMRWQIAFBZAJ-UHFFFAOYSA-N 0 0 435.571 3.734 50 0 IHAARN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)cc2s1 ZINC000018043745 557234294 /nfs/dbraw/zinc/23/42/94/557234294.db2.gz OTLXSFRIGGQCOT-OKILXGFUSA-N 0 0 445.566 3.655 50 0 IHAARN COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000098211373 557234456 /nfs/dbraw/zinc/23/44/56/557234456.db2.gz PFAFOSMZUDLZMN-UHFFFAOYSA-N 0 0 436.443 3.678 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000098211512 557235091 /nfs/dbraw/zinc/23/50/91/557235091.db2.gz IERZUUNWRVKGJA-UHFFFAOYSA-N 0 0 430.420 3.775 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCCCc1ccccc1 ZINC000098211502 557235137 /nfs/dbraw/zinc/23/51/37/557235137.db2.gz VDTDFDQLLBXWDA-UHFFFAOYSA-N 0 0 430.464 3.683 50 0 IHAARN Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026121638 557235211 /nfs/dbraw/zinc/23/52/11/557235211.db2.gz PCJGXTUNIGHQOX-UHFFFAOYSA-N 0 0 436.556 3.721 50 0 IHAARN COC(=O)C(=CNc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000098212037 557235441 /nfs/dbraw/zinc/23/54/41/557235441.db2.gz KTLNUAVASCHLIS-ZHZULCJRSA-N 0 0 433.526 3.902 50 0 IHAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1C)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604406367 557239993 /nfs/dbraw/zinc/23/99/93/557239993.db2.gz RQXTYXLCICMAPH-QFIPXVFZSA-N 0 0 431.540 3.930 50 0 biogenic IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 ZINC000026457065 557241384 /nfs/dbraw/zinc/24/13/84/557241384.db2.gz IQOHXVOKSMBQPU-UHFFFAOYSA-N 0 0 437.546 3.583 50 0 IHAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100119618 557241433 /nfs/dbraw/zinc/24/14/33/557241433.db2.gz GQKYRYULAUMKPA-SZMVWBNQSA-N 0 0 425.529 3.928 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000583652535 557242095 /nfs/dbraw/zinc/24/20/95/557242095.db2.gz VQVTWRZJEXMZHM-QGZVFWFLSA-N 0 0 434.525 3.510 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3snnc3CC)ccc2C)cc1 ZINC000024400394 557242577 /nfs/dbraw/zinc/24/25/77/557242577.db2.gz SNSNVUNXXCNONA-UHFFFAOYSA-N 0 0 446.554 3.861 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H]1c1cccs1 ZINC000026483659 557242620 /nfs/dbraw/zinc/24/26/20/557242620.db2.gz YXBFPFFDICREKE-XJKSGUPXSA-N 0 0 442.006 3.816 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H]1c1cccs1 ZINC000026483652 557242624 /nfs/dbraw/zinc/24/26/24/557242624.db2.gz YXBFPFFDICREKE-CZUORRHYSA-N 0 0 442.006 3.816 50 0 IHAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000026539699 557244130 /nfs/dbraw/zinc/24/41/30/557244130.db2.gz OGXKEWSRJMQMGE-UHFFFAOYSA-N 0 0 427.551 3.867 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018157321 557244531 /nfs/dbraw/zinc/24/45/31/557244531.db2.gz IZFKBBWLZQVYJB-ZLNRFVROSA-N 0 0 445.450 3.835 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1 ZINC000018177049 557245929 /nfs/dbraw/zinc/24/59/29/557245929.db2.gz BXPASGIBSLOURW-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN COc1ccc(-c2noc(COC(=O)CCc3c(C)nc(SC)nc3C)n2)cc1OC ZINC000026705995 557247114 /nfs/dbraw/zinc/24/71/14/557247114.db2.gz RVRGWOUOAYAMNF-UHFFFAOYSA-N 0 0 444.513 3.559 50 0 IHAARN Cn1ccc2c1cccc2NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604419011 557251192 /nfs/dbraw/zinc/25/11/92/557251192.db2.gz IXKOVXJMPFDBFR-XMMPIXPASA-N 0 0 436.471 3.932 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](c1ccccc1)N1Cc3ccccc3C1=O)CC2 ZINC000604419477 557251499 /nfs/dbraw/zinc/25/14/99/557251499.db2.gz BOSQBKSGHJIMNU-VWLOTQADSA-N 0 0 442.515 3.986 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000018210466 557252259 /nfs/dbraw/zinc/25/22/59/557252259.db2.gz XIVOZKMHLOASRV-QEEYODRMSA-N 0 0 426.563 3.625 50 0 IHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccco2)cc1 ZINC000026963678 557252862 /nfs/dbraw/zinc/25/28/62/557252862.db2.gz POQHSKPSFXLLJO-UHFFFAOYSA-N 0 0 439.464 3.860 50 0 IHAARN O=C(CC1(CC(=O)N2CCN(c3ccccn3)CC2)CCCC1)NCc1ccc(F)cc1 ZINC000018249487 557253902 /nfs/dbraw/zinc/25/39/02/557253902.db2.gz ZIXJLRMVPZIBID-UHFFFAOYSA-N 0 0 438.547 3.526 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000000813771 557254877 /nfs/dbraw/zinc/25/48/77/557254877.db2.gz KNXHOZVUSBBFSM-CYBMUJFWSA-N 0 0 435.981 3.501 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000000814068 557255017 /nfs/dbraw/zinc/25/50/17/557255017.db2.gz RMYSVWCWDKYMES-UHFFFAOYSA-N 0 0 426.582 3.569 50 0 IHAARN O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000027020984 557255203 /nfs/dbraw/zinc/25/52/03/557255203.db2.gz WOZSQGRZIWVSBQ-BESIOYJRSA-N 0 0 432.288 3.518 50 0 IHAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1 ZINC000027022836 557255629 /nfs/dbraw/zinc/25/56/29/557255629.db2.gz GECZBFMYGSGKBF-JWGURIENSA-N 0 0 432.545 3.742 50 0 IHAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101112607 557256235 /nfs/dbraw/zinc/25/62/35/557256235.db2.gz UIBYGIRRCNPPCR-ZRBLBEILSA-N 0 0 430.460 3.842 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)c1 ZINC000027064663 557256304 /nfs/dbraw/zinc/25/63/04/557256304.db2.gz KTHVZNCNALGZIG-INIZCTEOSA-N 0 0 429.973 3.764 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cnc12 ZINC000027153992 557258319 /nfs/dbraw/zinc/25/83/19/557258319.db2.gz ZRYQZBAKZDPCNS-FQEVSTJZSA-N 0 0 433.508 3.620 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000027254491 557259409 /nfs/dbraw/zinc/25/94/09/557259409.db2.gz SVZIWBNIDYCWSP-BJKOFHAPSA-N 0 0 442.563 3.943 50 0 IHAARN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000100398466 557259981 /nfs/dbraw/zinc/25/99/81/557259981.db2.gz DWATYEFPQXBCNU-KDURUIRLSA-N 0 0 440.858 3.670 50 0 IHAARN COc1ccc(CN(Cc2nc(-c3cccs3)oc2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027654101 557268629 /nfs/dbraw/zinc/26/86/29/557268629.db2.gz NYOAVMQBXBIWHZ-QGZVFWFLSA-N 0 0 432.567 3.909 50 0 IHAARN COc1cc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)cc3)CC2=O)cc(OC)c1 ZINC000101321993 557273451 /nfs/dbraw/zinc/27/34/51/557273451.db2.gz OQBAJCYNQMLHOC-UHFFFAOYSA-N 0 0 444.491 3.903 50 0 IHAARN Cc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)c(C)c1 ZINC000101501169 557289931 /nfs/dbraw/zinc/28/99/31/557289931.db2.gz QGMCTPALGYODDZ-UHFFFAOYSA-N 0 0 436.541 3.588 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000101629383 557291922 /nfs/dbraw/zinc/29/19/22/557291922.db2.gz MTKBZGVPGWHGED-IRXDYDNUSA-N 0 0 448.491 3.749 50 0 IHAARN O=C(Cc1cccc2ccccc21)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000011665767 557292443 /nfs/dbraw/zinc/29/24/43/557292443.db2.gz JCOFPXMXGGSDQA-UHFFFAOYSA-N 0 0 429.867 3.702 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101709981 557294181 /nfs/dbraw/zinc/29/41/81/557294181.db2.gz SOMTWHVDSPWKEG-OAQYLSRUSA-N 0 0 441.553 3.846 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(O)cc1O ZINC000013114427 557296230 /nfs/dbraw/zinc/29/62/30/557296230.db2.gz DXUSHAWTTBPIBR-UHFFFAOYSA-N 0 0 441.461 3.799 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cccn2)cc1 ZINC000014093570 557302288 /nfs/dbraw/zinc/30/22/88/557302288.db2.gz VNBGYSIJXFIWCA-UHFFFAOYSA-N 0 0 430.917 3.563 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014120063 557307853 /nfs/dbraw/zinc/30/78/53/557307853.db2.gz VFUGPBFWGHXMHE-UHFFFAOYSA-N 0 0 440.565 3.952 50 0 IHAARN NC(=O)CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000014141055 557310153 /nfs/dbraw/zinc/31/01/53/557310153.db2.gz GAGLSMNRFIMWPO-UHFFFAOYSA-N 0 0 429.723 3.697 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3CO)C2=O)cc1 ZINC000103005221 557311597 /nfs/dbraw/zinc/31/15/97/557311597.db2.gz GMNGTAREKYHARM-JCMHNJIXSA-N 0 0 442.471 3.996 50 0 IHAARN O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000032752751 557315029 /nfs/dbraw/zinc/31/50/29/557315029.db2.gz VZBPBKQKIRIMSK-UHFFFAOYSA-N 0 0 432.263 3.714 50 0 IHAARN CC(C)OC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CCCC2 ZINC000102351598 557317695 /nfs/dbraw/zinc/31/76/95/557317695.db2.gz AQGQSLJJONOEMO-GASCZTMLSA-N 0 0 446.569 3.696 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccccc3F)s2)cc1 ZINC000032987820 557321866 /nfs/dbraw/zinc/32/18/66/557321866.db2.gz FNJMOHXKQBBJQJ-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)cc2)cc1C ZINC000033063367 557323415 /nfs/dbraw/zinc/32/34/15/557323415.db2.gz WZVUTGILYQVQHD-UHFFFAOYSA-N 0 0 441.484 3.595 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)cnn1C)C[C@@H](C)CC2 ZINC000000832645 557326275 /nfs/dbraw/zinc/32/62/75/557326275.db2.gz QWKFVSJSVGTIFC-VIFPVBQESA-N 0 0 440.978 3.563 50 0 IHAARN COc1ccc(OC)c(/C=c2/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1 ZINC000033168235 557326377 /nfs/dbraw/zinc/32/63/77/557326377.db2.gz FNBIQOWTSCNFNM-UKUQBLRASA-N 0 0 425.897 3.540 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1OC ZINC000033289173 557332347 /nfs/dbraw/zinc/33/23/47/557332347.db2.gz OTBRPLOKPRVDSY-LJQANCHMSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1 ZINC000033318350 557332806 /nfs/dbraw/zinc/33/28/06/557332806.db2.gz KYSWDZPAIIYRNT-UHFFFAOYSA-N 0 0 433.512 3.555 50 0 IHAARN COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(F)cc3Br)C2=O)cc1OC ZINC000014282000 557333331 /nfs/dbraw/zinc/33/33/31/557333331.db2.gz IIZDVPBELBIHFZ-IBGZPJMESA-N 0 0 437.265 3.573 50 0 IHAARN CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccccc1 ZINC000033466741 557334950 /nfs/dbraw/zinc/33/49/50/557334950.db2.gz HPWPKIGXLHARBD-QGOAFFKASA-N 0 0 429.929 3.629 50 0 IHAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 ZINC000014394929 557336853 /nfs/dbraw/zinc/33/68/53/557336853.db2.gz HQEBXSHMCGOQKB-UDFXALJUSA-N 0 0 448.523 3.547 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000033411705 557338692 /nfs/dbraw/zinc/33/86/92/557338692.db2.gz KXXLZXWQIFCPGD-JXMROGBWSA-N 0 0 442.563 3.594 50 0 IHAARN c1sc2nc(CN3CCOCC3)nc(-n3nnc4ccccc43)c2c1-c1ccccc1 ZINC000033414558 557339759 /nfs/dbraw/zinc/33/97/59/557339759.db2.gz FIAIVFDUQASJSI-UHFFFAOYSA-N 0 0 428.521 3.924 50 0 IHAARN CC[C@H](C)C(=O)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000023334967 557349735 /nfs/dbraw/zinc/34/97/35/557349735.db2.gz UNUMBJFRUNGNNY-ZDUSSCGKSA-N 0 0 433.343 3.793 50 0 IHAARN CCCC/N=c1/sc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc(=O)n1CCCC ZINC000102653488 557361608 /nfs/dbraw/zinc/36/16/08/557361608.db2.gz UDENUVXCEBKKNJ-GHVJWSGMSA-N 0 0 431.558 3.840 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102690852 557364218 /nfs/dbraw/zinc/36/42/18/557364218.db2.gz FBYKKEJUYQCEDB-DNVJHFABSA-N 0 0 448.450 3.894 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CSc1nnc(C3CC3)n1Cc1ccccc1)[nH]c2=O ZINC000023599800 557367934 /nfs/dbraw/zinc/36/79/34/557367934.db2.gz KUVRDLWKHCXCLZ-UHFFFAOYSA-N 0 0 447.520 3.519 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3O[C@@](O)(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1 ZINC000102721545 557368797 /nfs/dbraw/zinc/36/87/97/557368797.db2.gz MCNZCLWFSJUCRG-PPJWLVRDSA-N 0 0 428.488 3.851 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccsc1 ZINC000102746372 557378378 /nfs/dbraw/zinc/37/83/78/557378378.db2.gz JKWODYCYGCLTJF-APWZRJJASA-N 0 0 447.582 3.571 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3nc(C)cc(Nc4ccc(OC)cc4)n3)CC2)cc1 ZINC000023994089 557390140 /nfs/dbraw/zinc/39/01/40/557390140.db2.gz FGGRCMKRDQAJHX-UHFFFAOYSA-N 0 0 448.527 3.900 50 0 IHAARN Cc1nn(C(=O)c2cccc(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000024022589 557391175 /nfs/dbraw/zinc/39/11/75/557391175.db2.gz GKEXVSSTWZLUHM-UHFFFAOYSA-N 0 0 429.464 3.772 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1 ZINC000011696057 557394189 /nfs/dbraw/zinc/39/41/89/557394189.db2.gz NTAAQMZFVFFVIZ-UHFFFAOYSA-N 0 0 445.928 3.573 50 0 IHAARN CC(C)OCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(C)CC1 ZINC000004872339 557399923 /nfs/dbraw/zinc/39/99/23/557399923.db2.gz QBVNELBBNCGCKD-MTNXOHHFSA-N 0 0 427.589 3.953 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000102912274 557411979 /nfs/dbraw/zinc/41/19/79/557411979.db2.gz KRTFUMFAYMRUBY-BHIFYINESA-N 0 0 446.459 3.816 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000103143577 557423287 /nfs/dbraw/zinc/42/32/87/557423287.db2.gz YOFUAKMQUDFWNX-ZIFCJYIRSA-N 0 0 443.617 3.884 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000103414082 557436414 /nfs/dbraw/zinc/43/64/14/557436414.db2.gz KJRMECBDBVHDDI-ZRZAMGCNSA-N 0 0 433.552 3.738 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000103458952 557437615 /nfs/dbraw/zinc/43/76/15/557437615.db2.gz SZVXYWDZONQOJK-MDPIYQRISA-N 0 0 431.536 3.835 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000051316713 557464736 /nfs/dbraw/zinc/46/47/36/557464736.db2.gz YMMVLSIWAISVHZ-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011322 557472852 /nfs/dbraw/zinc/47/28/52/557472852.db2.gz QJTVMBLYGZZRJA-ISKFKSNPSA-N 0 0 433.552 3.948 50 0 IHAARN CCCOc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004749876 557498641 /nfs/dbraw/zinc/49/86/41/557498641.db2.gz KIWMMVXCIURYLQ-KCQSEKJDSA-N 0 0 427.566 3.747 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccccc1OC ZINC000014864560 557507708 /nfs/dbraw/zinc/50/77/08/557507708.db2.gz OJXZZVXVMYIPTE-UHFFFAOYSA-N 0 0 446.569 3.840 50 0 IHAARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc3ccccc3n1Cc1ccccc1)C2=O ZINC000046899205 557513356 /nfs/dbraw/zinc/51/33/56/557513356.db2.gz YWFAPMOMDNSDKQ-UHFFFAOYSA-N 0 0 430.508 3.835 50 0 IHAARN CSc1nn(CC(=O)NCc2ccccc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914512 557513802 /nfs/dbraw/zinc/51/38/02/557513802.db2.gz XARYXSBFHKKUBF-UHFFFAOYSA-N 0 0 434.525 3.529 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c1C ZINC000036489926 557514663 /nfs/dbraw/zinc/51/46/63/557514663.db2.gz BDHJVNCRAMMBHT-UHFFFAOYSA-N 0 0 446.551 3.674 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl ZINC000036569696 557516604 /nfs/dbraw/zinc/51/66/04/557516604.db2.gz AAVUWMPENOWAJX-CRAIPNDOSA-N 0 0 439.343 3.961 50 0 IHAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)cc3)nc3cccnc32)c1 ZINC000047146522 557517770 /nfs/dbraw/zinc/51/77/70/557517770.db2.gz FCYBIYUCBSNYAC-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000044803549 557537037 /nfs/dbraw/zinc/53/70/37/557537037.db2.gz SOCCPNAXAPLHQO-INIZCTEOSA-N 0 0 436.512 3.901 50 0 IHAARN O=C1C[C@@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000044903511 557540360 /nfs/dbraw/zinc/54/03/60/557540360.db2.gz IZOPZSDLGDGVFP-NRFANRHFSA-N 0 0 436.265 3.824 50 0 IHAARN C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 ZINC000051353938 557542392 /nfs/dbraw/zinc/54/23/92/557542392.db2.gz BGNRPFRTLBYQIS-LKFCYVNXSA-N 0 0 446.223 3.993 50 0 IHAARN CN1c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2C(=C2CCCC2)C1=O ZINC000045895049 557546389 /nfs/dbraw/zinc/54/63/89/557546389.db2.gz JDPXKNGGNMSYGF-UHFFFAOYSA-N 0 0 443.613 3.630 50 0 IHAARN COC(=O)CN(c1ccccc1)S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)OC ZINC000045921938 557547805 /nfs/dbraw/zinc/54/78/05/557547805.db2.gz ARAITMNUYLOHFR-UHFFFAOYSA-N 0 0 445.518 3.570 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(CC)cc3)nn21 ZINC000045939066 557548206 /nfs/dbraw/zinc/54/82/06/557548206.db2.gz JZFBQKHOKNQLII-UHFFFAOYSA-N 0 0 449.536 3.777 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4cccc(CC)c4)n3n2)cc1 ZINC000045939063 557548214 /nfs/dbraw/zinc/54/82/14/557548214.db2.gz NQVISHWNHUOIBL-UHFFFAOYSA-N 0 0 433.537 3.940 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4cc(F)ccc4F)n3n2)cc1 ZINC000045939120 557548222 /nfs/dbraw/zinc/54/82/22/557548222.db2.gz QUJDGBADMMKHEF-UHFFFAOYSA-N 0 0 441.463 3.656 50 0 IHAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21)Nc1cccc(Cl)c1 ZINC000045925491 557550115 /nfs/dbraw/zinc/55/01/15/557550115.db2.gz BAHBJUCIUHNKSO-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000045934055 557550532 /nfs/dbraw/zinc/55/05/32/557550532.db2.gz VMDPHOIDIUJHIZ-DEOSSOPVSA-N 0 0 448.544 3.952 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 ZINC000045961445 557555305 /nfs/dbraw/zinc/55/53/05/557555305.db2.gz LEFTTZUBORZEDC-INIZCTEOSA-N 0 0 434.521 3.519 50 0 IHAARN [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)c([O-])c(Br)c2)N1 ZINC000038185887 557563498 /nfs/dbraw/zinc/56/34/98/557563498.db2.gz MZLQMEDFAHTZPY-ZDUSSCGKSA-N 0 0 437.095 3.532 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cl)cc1Br ZINC000028248657 557697147 /nfs/dbraw/zinc/69/71/47/557697147.db2.gz PJEDWOFBEBQGCC-UHFFFAOYSA-N 0 0 436.711 3.929 50 0 IHAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000225503581 557731326 /nfs/dbraw/zinc/73/13/26/557731326.db2.gz OEJDKONUCJPKQQ-XMMPIXPASA-N 0 0 449.501 3.780 50 0 IHAARN Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000225578076 557746112 /nfs/dbraw/zinc/74/61/12/557746112.db2.gz HYMRRCKKOZNMCN-VBKZILBWSA-N 0 0 447.568 3.950 50 0 IHAARN C[C@@H](OC(=O)c1cc(Br)cc2[nH]cnc21)C(=O)N(C)Cc1cccc(F)c1 ZINC000225840525 557783954 /nfs/dbraw/zinc/78/39/54/557783954.db2.gz GXFZLBUBHJJXFX-LLVKDONJSA-N 0 0 434.265 3.668 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000227032142 557811646 /nfs/dbraw/zinc/81/16/46/557811646.db2.gz CZLNOORALBDGNW-WFEDQXDTSA-N 0 0 429.303 3.829 50 0 IHAARN COC(=O)c1ccc2c(=O)[nH]c(CN3CCCCC[C@@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000229427957 557832235 /nfs/dbraw/zinc/83/22/35/557832235.db2.gz JFWBUTWWHRXCOZ-VQIMIIECSA-N 0 0 441.553 3.640 50 0 IHAARN COc1ccc(C(O)=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000238881776 557841749 /nfs/dbraw/zinc/84/17/49/557841749.db2.gz BHFXHZDHXBBNKM-WAOWUJCRSA-N 0 0 436.430 3.923 50 0 IHAARN CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015008257 557849514 /nfs/dbraw/zinc/84/95/14/557849514.db2.gz QLLQMGQWPPTLPQ-UHFFFAOYSA-N 0 0 435.702 3.501 50 0 IHAARN CCOc1ccc(-c2nc(CSc3nc4c(nc(C)[nH]c4=O)n3C)c(C)o2)cc1OC ZINC000019625895 560094006 /nfs/dbraw/zinc/09/40/06/560094006.db2.gz HPABXSZOVHFBKO-UHFFFAOYSA-N 0 0 441.513 3.628 50 0 biogenic,in-vitro IHAARN COC[C@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc2c(c(OC)c1)OCO2 ZINC000015272057 560230070 /nfs/dbraw/zinc/23/00/70/560230070.db2.gz RCFGIEPQSDGMJJ-OALUTQOASA-N 0 0 432.513 3.752 50 0 biogenic,in-vitro IHAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC)c1C ZINC000001117276 562920446 /nfs/dbraw/zinc/92/04/46/562920446.db2.gz PVVHOJPBFUUJAQ-UHFFFAOYSA-N 0 0 443.319 3.933 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001773380 562924611 /nfs/dbraw/zinc/92/46/11/562924611.db2.gz WDBSUQQXYGRRAC-OAHLLOKOSA-N 0 0 431.510 3.844 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1 ZINC000002456905 562927893 /nfs/dbraw/zinc/92/78/93/562927893.db2.gz RSVYERVUTYOQAF-ZIAGYGMSSA-N 0 0 446.554 3.717 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000002621304 562928548 /nfs/dbraw/zinc/92/85/48/562928548.db2.gz MOMJGOWLRVTZNE-UHFFFAOYSA-N 0 0 435.553 3.712 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 ZINC000002625102 562928695 /nfs/dbraw/zinc/92/86/95/562928695.db2.gz MQLOSKAKPDRCEF-AWEZNQCLSA-N 0 0 441.532 3.962 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000002627983 562928743 /nfs/dbraw/zinc/92/87/43/562928743.db2.gz QVGOREXEHSEMFS-UHFFFAOYSA-N 0 0 446.550 3.989 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000003035446 562932001 /nfs/dbraw/zinc/93/20/01/562932001.db2.gz SHLDUDDCVWGVPS-XMMPIXPASA-N 0 0 436.508 3.669 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)[C@@H](C(N)=O)C(C)C)cc1 ZINC000003175703 562932598 /nfs/dbraw/zinc/93/25/98/562932598.db2.gz ICABHLHEBWMNSH-JOCHJYFZSA-N 0 0 449.507 3.693 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(Br)c1OC ZINC000003347520 562934597 /nfs/dbraw/zinc/93/45/97/562934597.db2.gz NFAKONTXGKGGFN-UHFFFAOYSA-N 0 0 435.318 3.945 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)no1 ZINC000003447706 562935947 /nfs/dbraw/zinc/93/59/47/562935947.db2.gz IBQOSUPAYTVSQE-UHFFFAOYSA-N 0 0 430.873 3.718 50 0 IHAARN CCSc1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCC(F)(F)C(F)F)s1 ZINC000004077879 562941551 /nfs/dbraw/zinc/94/15/51/562941551.db2.gz XVACGDDLEMVDMO-DTWKUNHWSA-N 0 0 429.461 3.839 50 0 IHAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000004295385 562943015 /nfs/dbraw/zinc/94/30/15/562943015.db2.gz LJUIHPXVUYBPKS-PLACYPQZSA-N 0 0 425.492 3.880 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCO ZINC000004295425 562943033 /nfs/dbraw/zinc/94/30/33/562943033.db2.gz JWXZAZJAQCQOEP-INIZCTEOSA-N 0 0 434.673 3.746 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc32)cc1 ZINC000004301438 562943105 /nfs/dbraw/zinc/94/31/05/562943105.db2.gz SFNTVTVZNVEMJO-UHFFFAOYSA-N 0 0 434.477 3.649 50 0 aggregator IHAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 ZINC000006029049 562945960 /nfs/dbraw/zinc/94/59/60/562945960.db2.gz KYELXBVABWUHRH-HXUWFJFHSA-N 0 0 427.497 3.682 50 0 IHAARN CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)CC1 ZINC000006577777 562947894 /nfs/dbraw/zinc/94/78/94/562947894.db2.gz CVOONTPOZRYVNI-UHFFFAOYSA-N 0 0 437.613 3.801 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3cccc(C(=O)OCC)c3)c(=O)c21 ZINC000008591493 562952090 /nfs/dbraw/zinc/95/20/90/562952090.db2.gz GRYIMFJGQHAKKX-UHFFFAOYSA-N 0 0 432.480 3.577 50 0 IHAARN O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000008592870 562952489 /nfs/dbraw/zinc/95/24/89/562952489.db2.gz UVJXSAHQYLIYLA-UHFFFAOYSA-N 0 0 432.498 3.942 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCc2ccccc2)c(OC)c1 ZINC000008593176 562952564 /nfs/dbraw/zinc/95/25/64/562952564.db2.gz VMCGPAOHICETNV-XMMPIXPASA-N 0 0 430.504 3.760 50 0 biogenic IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NCc3ccccc3F)c2)CC1 ZINC000008593910 562952936 /nfs/dbraw/zinc/95/29/36/562952936.db2.gz DKFYGIGWPZNESF-UHFFFAOYSA-N 0 0 443.544 3.517 50 0 IHAARN CCN1c2cc(C(=O)NCc3ccc(C)cc3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000008597348 562953964 /nfs/dbraw/zinc/95/39/64/562953964.db2.gz NTNJHRGRARONKK-UHFFFAOYSA-N 0 0 434.517 3.738 50 0 IHAARN COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2cccc(SC)c2)c1N ZINC000008597970 562954088 /nfs/dbraw/zinc/95/40/88/562954088.db2.gz AMWKBBWBCIQBHM-UHFFFAOYSA-N 0 0 448.346 3.654 50 0 aggregator IHAARN COc1cc(OC)c(NC(=O)Cn2c(=O)c(C(F)(F)F)nc3ccccc32)cc1Cl ZINC000008599552 562954819 /nfs/dbraw/zinc/95/48/19/562954819.db2.gz AFYCTBIVBTVQSE-UHFFFAOYSA-N 0 0 441.793 3.725 50 0 IHAARN COc1ccc(CC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008601278 562955255 /nfs/dbraw/zinc/95/52/55/562955255.db2.gz ALTMZIDSQNUINL-OAQYLSRUSA-N 0 0 429.563 3.939 50 0 IHAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCCCC2 ZINC000008601634 562955569 /nfs/dbraw/zinc/95/55/69/562955569.db2.gz OHZLBSNQPPMYJA-UHFFFAOYSA-N 0 0 435.567 3.915 50 0 IHAARN COc1cc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc(OC)c1OC ZINC000008601734 562955608 /nfs/dbraw/zinc/95/56/08/562955608.db2.gz XQCQPKRUFZXBOZ-UHFFFAOYSA-N 0 0 445.475 3.972 50 0 IHAARN COc1ccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OC ZINC000008602046 562955762 /nfs/dbraw/zinc/95/57/62/562955762.db2.gz ZDVJLCHEWBDHSX-UHFFFAOYSA-N 0 0 430.504 3.766 50 0 IHAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(-c2ccccc2Cl)c1=O)N1CCCC1 ZINC000008603911 562956167 /nfs/dbraw/zinc/95/61/67/562956167.db2.gz FNTTXQZRMSDHMF-UHFFFAOYSA-N 0 0 439.924 3.643 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1 ZINC000008607392 562957297 /nfs/dbraw/zinc/95/72/97/562957297.db2.gz SFYJOZNOPCNJCL-UHFFFAOYSA-N 0 0 430.504 3.902 50 0 IHAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2cccs2)ccc1F ZINC000008608890 562957564 /nfs/dbraw/zinc/95/75/64/562957564.db2.gz SEUNRMJODLZBBV-FQEVSTJZSA-N 0 0 433.526 3.906 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)ccc21 ZINC000008610977 562958318 /nfs/dbraw/zinc/95/83/18/562958318.db2.gz BFPSPLYBBAFLNH-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc(=O)c2c1 ZINC000008612367 562959151 /nfs/dbraw/zinc/95/91/51/562959151.db2.gz FCCZHERWVMITOT-MRXNPFEDSA-N 0 0 440.521 3.917 50 0 IHAARN CC(C)Sc1ncc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 ZINC000008613786 562959381 /nfs/dbraw/zinc/95/93/81/562959381.db2.gz PLADIFZVYIXMOV-UHFFFAOYSA-N 0 0 442.975 3.896 50 0 IHAARN O=C(COc1ccccc1Cl)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000008619643 562959922 /nfs/dbraw/zinc/95/99/22/562959922.db2.gz BUILBKVATGZMSC-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000008728544 562963834 /nfs/dbraw/zinc/96/38/34/562963834.db2.gz FKBCRVPUHQOEAB-HSZRJFAPSA-N 0 0 440.931 3.736 50 0 IHAARN Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008790189 562964258 /nfs/dbraw/zinc/96/42/58/562964258.db2.gz ZQRCQEQCXIFPQX-JOCHJYFZSA-N 0 0 429.472 3.997 50 0 biogenic IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)c1 ZINC000008824636 562964462 /nfs/dbraw/zinc/96/44/62/562964462.db2.gz BROFFDIVXYBIDV-CQSZACIVSA-N 0 0 425.539 3.525 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1 ZINC000008824639 562964514 /nfs/dbraw/zinc/96/45/14/562964514.db2.gz JYJTXGHWLJXEBU-OAHLLOKOSA-N 0 0 425.539 3.525 50 0 IHAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)n1 ZINC000008830883 562964883 /nfs/dbraw/zinc/96/48/83/562964883.db2.gz USZAEOZGEKRCQU-UHFFFAOYSA-N 0 0 440.308 3.623 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(OC)cc34)ccc12 ZINC000008878155 562965684 /nfs/dbraw/zinc/96/56/84/562965684.db2.gz MECOIUXDHVDHPE-UHFFFAOYSA-N 0 0 434.492 3.973 50 0 biogenic IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915262 562965998 /nfs/dbraw/zinc/96/59/98/562965998.db2.gz FVJNKLQGLOYVMB-LJQANCHMSA-N 0 0 439.533 3.548 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)CSC3)cc1 ZINC000009363811 562969617 /nfs/dbraw/zinc/96/96/17/562969617.db2.gz SWYRPMKZMBENEA-UHFFFAOYSA-N 0 0 448.504 3.533 50 0 IHAARN CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccc(C)c2)CC1 ZINC000009503131 562972373 /nfs/dbraw/zinc/97/23/73/562972373.db2.gz STDMDHYCKCITRH-ZHACJKMWSA-N 0 0 445.585 3.731 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009591611 562973686 /nfs/dbraw/zinc/97/36/86/562973686.db2.gz BVZZGOVEGISBTM-UHFFFAOYSA-N 0 0 443.503 3.977 50 0 IHAARN C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000009630942 562974318 /nfs/dbraw/zinc/97/43/18/562974318.db2.gz DKTDSSVMVIQESN-BBWFWOEESA-N 0 0 442.025 3.820 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)CC2 ZINC000009671051 562975106 /nfs/dbraw/zinc/97/51/06/562975106.db2.gz CRAPRAXQYSTINE-GOSISDBHSA-N 0 0 442.943 3.794 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn32)cc1 ZINC000009829127 562977222 /nfs/dbraw/zinc/97/72/22/562977222.db2.gz XCVTZTIJZBYAHY-UHFFFAOYSA-N 0 0 436.472 3.620 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009962081 562977968 /nfs/dbraw/zinc/97/79/68/562977968.db2.gz KOGYJWWIFCRONS-SFHVURJKSA-N 0 0 439.537 3.591 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000013007313 562984014 /nfs/dbraw/zinc/98/40/14/562984014.db2.gz RFTDLLFPJSITSR-UHFFFAOYSA-N 0 0 437.874 3.615 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000013010605 562984067 /nfs/dbraw/zinc/98/40/67/562984067.db2.gz IBDOBZYKANAKPP-KRWDZBQOSA-N 0 0 447.457 3.541 50 0 IHAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000015390984 563017892 /nfs/dbraw/zinc/01/78/92/563017892.db2.gz JXIATHUUSUFBBY-INIZCTEOSA-N 0 0 436.917 3.641 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000015942737 563019787 /nfs/dbraw/zinc/01/97/87/563019787.db2.gz UFFRYUVTWVRGKU-UHFFFAOYSA-N 0 0 429.517 3.862 50 0 IHAARN COc1ccc(NC(=O)CCCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000015943049 563019895 /nfs/dbraw/zinc/01/98/95/563019895.db2.gz NEHXJJXAVMNOOS-UHFFFAOYSA-N 0 0 431.496 3.627 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCCc1ccccc1)nc2C ZINC000015943128 563019996 /nfs/dbraw/zinc/01/99/96/563019996.db2.gz RJSBFQPUSAVOHJ-LJQANCHMSA-N 0 0 429.524 3.509 50 0 IHAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1 ZINC000016047539 563020714 /nfs/dbraw/zinc/02/07/14/563020714.db2.gz NZBVBZBHYQWLBP-UHFFFAOYSA-N 0 0 432.452 3.933 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3sccc3[C@@H]2c2ccccc2)NC(=O)N[C@@H]1CC ZINC000024945465 568614146 /nfs/dbraw/zinc/61/41/46/568614146.db2.gz MVCPUTXYWLBWHP-UTKZUKDTSA-N 0 0 425.554 3.604 50 0 IHAARN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983996 568623007 /nfs/dbraw/zinc/62/30/07/568623007.db2.gz QQMBJZVCOSXPLW-LEWJYISDSA-N 0 0 436.474 3.885 50 0 IHAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C[C@H](O)COC(C)C)C2)cc1 ZINC000104982792 568623059 /nfs/dbraw/zinc/62/30/59/568623059.db2.gz KNWNAQBKRSMYQC-RBBKRZOGSA-N 0 0 448.510 3.755 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000912400 568636837 /nfs/dbraw/zinc/63/68/37/568636837.db2.gz OYZGWUNDZIDLGF-UHFFFAOYSA-N 0 0 426.498 3.645 50 0 IHAARN COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cccc(Br)c3)C2=O)cc1 ZINC000000937549 568638759 /nfs/dbraw/zinc/63/87/59/568638759.db2.gz AETFTFXZCRFMIG-UHFFFAOYSA-N 0 0 449.688 3.667 50 0 IHAARN COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000000937551 568638773 /nfs/dbraw/zinc/63/87/73/568638773.db2.gz SOEYFXFYKRZOIH-UHFFFAOYSA-N 0 0 435.263 3.567 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000086077440 568644650 /nfs/dbraw/zinc/64/46/50/568644650.db2.gz ITDAOOHWCXPCDP-KRWDZBQOSA-N 0 0 433.512 3.842 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)s2)cs1 ZINC000025322469 568653409 /nfs/dbraw/zinc/65/34/09/568653409.db2.gz XFHGBFMVCZJIRR-HNNXBMFYSA-N 0 0 429.567 3.984 50 0 IHAARN COc1ccc(-c2nnc(SCC(N)=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000001063921 568656105 /nfs/dbraw/zinc/65/61/05/568656105.db2.gz CZKQTYXRNVEOJB-UHFFFAOYSA-N 0 0 438.431 3.548 50 0 IHAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc1C ZINC000001100662 568657845 /nfs/dbraw/zinc/65/78/45/568657845.db2.gz RQEFXUFWQXZVSR-QGZVFWFLSA-N 0 0 428.554 3.780 50 0 IHAARN C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000015188608 568732068 /nfs/dbraw/zinc/73/20/68/568732068.db2.gz AEMXPQFJWHRWNV-QMTHXVAHSA-N 0 0 430.140 3.575 50 0 IHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)c2c1C ZINC000001789824 568739999 /nfs/dbraw/zinc/73/99/99/568739999.db2.gz DAGKIUNJILZBCA-UHFFFAOYSA-N 0 0 440.308 3.889 50 0 IHAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000031584069 568740718 /nfs/dbraw/zinc/74/07/18/568740718.db2.gz JIUWXDGGNFERCK-LJQANCHMSA-N 0 0 440.569 3.729 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2cc(C)ccc2C)c(C)n1C[C@H]1CCCO1 ZINC000003348450 568746674 /nfs/dbraw/zinc/74/66/74/568746674.db2.gz ZYPOKFFSNRIWBE-GOSISDBHSA-N 0 0 425.558 3.851 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1C ZINC000003393949 568748519 /nfs/dbraw/zinc/74/85/19/568748519.db2.gz NNJDHAOYPMZYHX-UHFFFAOYSA-N 0 0 443.459 3.573 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1 ZINC000044166651 568749259 /nfs/dbraw/zinc/74/92/59/568749259.db2.gz XLVJGAVWNFAJGO-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c1 ZINC000003555971 568750659 /nfs/dbraw/zinc/75/06/59/568750659.db2.gz OUUHDYAOMLUVOU-UHFFFAOYSA-N 0 0 427.460 3.792 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000003620298 568751585 /nfs/dbraw/zinc/75/15/85/568751585.db2.gz UKHKVEJCTPXFLC-UHFFFAOYSA-N 0 0 440.860 3.757 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1 ZINC000299758409 568755494 /nfs/dbraw/zinc/75/54/94/568755494.db2.gz MUPUXWYFGLLNQV-OAQYLSRUSA-N 0 0 444.535 3.646 50 0 IHAARN O=C([C@H]1CC12CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)CC2)N1CCc2ccccc2C1 ZINC000299761985 568755977 /nfs/dbraw/zinc/75/59/77/568755977.db2.gz CQLRFYQFDJMFJT-DHIUTWEWSA-N 0 0 428.532 3.570 50 0 IHAARN O=C(c1cccc(Cn2cccn2)c1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000299769959 568756502 /nfs/dbraw/zinc/75/65/02/568756502.db2.gz NJVNYHMUXDQVJS-VWNXMTODSA-N 0 0 446.526 3.724 50 0 IHAARN CN1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000299804258 568758187 /nfs/dbraw/zinc/75/81/87/568758187.db2.gz LTWXYDRMEPGMLU-XWGVYQGASA-N 0 0 426.472 3.730 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171261 568760555 /nfs/dbraw/zinc/76/05/55/568760555.db2.gz HTXFPJPGGJPTLZ-OTWHNJEPSA-N 0 0 432.307 3.538 50 0 IHAARN COC(=O)c1cn(C[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 ZINC000263588089 568760912 /nfs/dbraw/zinc/76/09/12/568760912.db2.gz OYPQDIATDZRQQE-GOSISDBHSA-N 0 0 430.439 3.915 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)NCCCn1ccc2cc(OC)ccc21 ZINC000263588122 568761020 /nfs/dbraw/zinc/76/10/20/568761020.db2.gz PHZKRVDNJPYTQV-UHFFFAOYSA-N 0 0 435.524 3.836 50 0 IHAARN CCOc1ccc(N=C2NN=C(c3ccc4c(c3)CCN4S(=O)(=O)CC)CS2)cc1 ZINC000015405502 568761857 /nfs/dbraw/zinc/76/18/57/568761857.db2.gz RWMLDDYAASUQNA-UHFFFAOYSA-N 0 0 444.582 3.717 50 0 IHAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000015432103 568762160 /nfs/dbraw/zinc/76/21/60/568762160.db2.gz RGEHZEHDJQMCKD-CQSZACIVSA-N 0 0 429.325 3.703 50 0 IHAARN COc1ccc(-n2c3nnc(SC)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001241867 568774555 /nfs/dbraw/zinc/77/45/55/568774555.db2.gz LHLFCISWNXHFBN-OAHLLOKOSA-N 0 0 442.566 3.923 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1F ZINC000263616867 568776910 /nfs/dbraw/zinc/77/69/10/568776910.db2.gz KZFPEVRVFPFYAI-MRXNPFEDSA-N 0 0 427.432 3.879 50 0 IHAARN COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321051 568780066 /nfs/dbraw/zinc/78/00/66/568780066.db2.gz WNGOPCLCAAPWNW-ZDUSSCGKSA-N 0 0 426.542 3.651 50 0 IHAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032103498 568780885 /nfs/dbraw/zinc/78/08/85/568780885.db2.gz MUFIVIGLRQFUID-JOCHJYFZSA-N 0 0 427.932 3.952 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000045967603 568783780 /nfs/dbraw/zinc/78/37/80/568783780.db2.gz WOBDZWJXBVCCQO-UHFFFAOYSA-N 0 0 445.585 3.526 50 0 IHAARN Cn1ncc2c3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](c4cccs4)N5)nn3cnc21 ZINC000002802456 568789442 /nfs/dbraw/zinc/78/94/42/568789442.db2.gz YUUSYKXMQBOZFY-GWCFXTLKSA-N 0 0 445.434 3.596 50 0 IHAARN COc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)Nc2ccc3c(ccn3C)c2)cc1OC ZINC000001413550 568790182 /nfs/dbraw/zinc/79/01/82/568790182.db2.gz WDZPRVQDJJRRDI-RUZDIDTESA-N 0 0 435.524 3.758 50 0 IHAARN Cc1c(COC(C)C)cccc1NC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000084041334 568790354 /nfs/dbraw/zinc/79/03/54/568790354.db2.gz VJJOQNLYGILKBW-IBGZPJMESA-N 0 0 434.581 3.593 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F ZINC000084072132 568791305 /nfs/dbraw/zinc/79/13/05/568791305.db2.gz UXYSPZDCFUFBNW-DOTOQJQBSA-N 0 0 431.389 3.985 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1C(=O)NC1CCCC1 ZINC000019204571 568795276 /nfs/dbraw/zinc/79/52/76/568795276.db2.gz RRMIQQNIXCFBKG-UHFFFAOYSA-N 0 0 427.888 3.949 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 ZINC000084240498 568796221 /nfs/dbraw/zinc/79/62/21/568796221.db2.gz SSPWJHNLHWSCDW-HXUWFJFHSA-N 0 0 440.540 3.897 50 0 IHAARN Cc1csc([C@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 ZINC000084268115 568796690 /nfs/dbraw/zinc/79/66/90/568796690.db2.gz CDNCBYVBOXVLNC-RHSMWYFYSA-N 0 0 434.867 3.845 50 0 IHAARN O=C(Cn1ccc(C(F)(F)F)n1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000084363406 568797262 /nfs/dbraw/zinc/79/72/62/568797262.db2.gz MYJDRRUBARJXEI-UHFFFAOYSA-N 0 0 446.267 3.529 50 0 IHAARN O=C(CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)Nc1ccc(F)c(F)c1 ZINC000015538212 568797391 /nfs/dbraw/zinc/79/73/91/568797391.db2.gz CQNNLOWGGWIHIX-NRFANRHFSA-N 0 0 436.414 3.788 50 0 IHAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@H]1CCC(=O)NC1 ZINC000084459587 568798150 /nfs/dbraw/zinc/79/81/50/568798150.db2.gz WFLZYKLDFZJMFU-JTQLQIEISA-N 0 0 432.249 3.861 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2c1C ZINC000015560054 568798155 /nfs/dbraw/zinc/79/81/55/568798155.db2.gz SKYFXACSARXROZ-UHFFFAOYSA-N 0 0 437.974 3.646 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000084525271 568798358 /nfs/dbraw/zinc/79/83/58/568798358.db2.gz NSZNATQBHZPKAR-UHFFFAOYSA-N 0 0 446.551 3.848 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cc(Cl)ccc1O ZINC000084674079 568799704 /nfs/dbraw/zinc/79/97/04/568799704.db2.gz JFCAPXWCKGSFSK-JOCHJYFZSA-N 0 0 427.888 3.763 50 0 IHAARN CCCc1c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)[nH]c(C)c1C(C)=O ZINC000084758789 568801075 /nfs/dbraw/zinc/80/10/75/568801075.db2.gz XJFLRILVNLTODQ-UHFFFAOYSA-N 0 0 443.525 3.802 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000015669374 568801945 /nfs/dbraw/zinc/80/19/45/568801945.db2.gz OVGINUGGFYMXTR-UHFFFAOYSA-N 0 0 439.537 3.824 50 0 IHAARN COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678106 568804526 /nfs/dbraw/zinc/80/45/26/568804526.db2.gz OZKVDGWYQUFMGW-DEOSSOPVSA-N 0 0 426.561 3.516 50 0 IHAARN COc1ccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000015682058 568806852 /nfs/dbraw/zinc/80/68/52/568806852.db2.gz GPDCPYQFJDOLAF-UHFFFAOYSA-N 0 0 447.535 3.897 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)ccc2S1 ZINC000015730589 568814118 /nfs/dbraw/zinc/81/41/18/568814118.db2.gz MLNNXQBMGQBAEY-OAHLLOKOSA-N 0 0 449.573 3.503 50 0 IHAARN CCN(CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2)c1ccccc1 ZINC000015730927 568814318 /nfs/dbraw/zinc/81/43/18/568814318.db2.gz RRGGMARVNFCVCY-MRXNPFEDSA-N 0 0 433.599 3.704 50 0 IHAARN CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000015731241 568814557 /nfs/dbraw/zinc/81/45/57/568814557.db2.gz IGLMAVLDLYBQSK-HNNXBMFYSA-N 0 0 448.566 3.515 50 0 IHAARN C=C1C(N2CCC(C(=O)NC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732938 568815479 /nfs/dbraw/zinc/81/54/79/568815479.db2.gz HCQVBRYTCPOZPK-UHFFFAOYSA-N 0 0 429.586 3.547 50 0 IHAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015736055 568817257 /nfs/dbraw/zinc/81/72/57/568817257.db2.gz LIELHRWOYNNOKO-UHFFFAOYSA-N 0 0 448.523 3.681 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3)cc(=O)n2o1 ZINC000015772150 568822584 /nfs/dbraw/zinc/82/25/84/568822584.db2.gz XJAOCBDTAUGTNC-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)CCC)cc2=O)s1 ZINC000015771948 568822701 /nfs/dbraw/zinc/82/27/01/568822701.db2.gz XSZIREXFZYSNFU-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN Cc1ccc(CNC(=O)CCc2nnc3ccc(NCc4ccc(Cl)cc4)nn32)cc1 ZINC000015776568 568823943 /nfs/dbraw/zinc/82/39/43/568823943.db2.gz POIROHJSEVKTLY-UHFFFAOYSA-N 0 0 434.931 3.947 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)c1 ZINC000085568844 568825355 /nfs/dbraw/zinc/82/53/55/568825355.db2.gz STVOTHLBRIFJRE-UHFFFAOYSA-N 0 0 426.563 3.873 50 0 IHAARN COc1cc([C@@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)cc(OC)c1OC ZINC000085587484 568825360 /nfs/dbraw/zinc/82/53/60/568825360.db2.gz REUPMEMZSSGMFF-FQEVSTJZSA-N 0 0 442.497 3.572 50 0 IHAARN COc1ccc(CCC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781116 568825595 /nfs/dbraw/zinc/82/55/95/568825595.db2.gz FBVCYLQBURKELT-QFIPXVFZSA-N 0 0 443.521 3.561 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000015783952 568826795 /nfs/dbraw/zinc/82/67/95/568826795.db2.gz UFRRJGZDOCPGAN-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1cc(OC)cc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)c1 ZINC000085642104 568828855 /nfs/dbraw/zinc/82/88/55/568828855.db2.gz MVJYFLUUYCQJMJ-UHFFFAOYSA-N 0 0 443.525 3.841 50 0 IHAARN COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)ccc1OC(C)C ZINC000085875701 568838196 /nfs/dbraw/zinc/83/81/96/568838196.db2.gz LUWWYDPIKHYRIA-UHFFFAOYSA-N 0 0 428.437 3.597 50 0 biogenic IHAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cnn(C)c2C)cc1 ZINC000085877085 568838522 /nfs/dbraw/zinc/83/85/22/568838522.db2.gz KWQYNBIKZXLACB-OAHLLOKOSA-N 0 0 432.432 3.657 50 0 biogenic IHAARN CCOC(=O)c1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1 ZINC000015829015 568841297 /nfs/dbraw/zinc/84/12/97/568841297.db2.gz ZDUCSOULGVCGLJ-UHFFFAOYSA-N 0 0 428.828 3.811 50 0 IHAARN CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025691591 568842559 /nfs/dbraw/zinc/84/25/59/568842559.db2.gz GLTFEOBFYYHUIV-YADHBBJMSA-N 0 0 438.524 3.672 50 0 IHAARN CCCC(=O)Nc1nc2ccc(CCC(=O)N3CCC(C(=O)OCC)CC3)cc2s1 ZINC000015861826 568848231 /nfs/dbraw/zinc/84/82/31/568848231.db2.gz QGLPIVJTOWTBLU-UHFFFAOYSA-N 0 0 431.558 3.769 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2C[C@@H]3CSCN3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000015862169 568848487 /nfs/dbraw/zinc/84/84/87/568848487.db2.gz BCTXMWHCLXONCY-FXCLAUTBSA-N 0 0 425.579 3.614 50 0 biogenic IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015880242 568854240 /nfs/dbraw/zinc/85/42/40/568854240.db2.gz DNODAJRFYXJSQZ-UHFFFAOYSA-N 0 0 441.578 3.504 50 0 IHAARN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(Br)cc1F ZINC000015881279 568855024 /nfs/dbraw/zinc/85/50/24/568855024.db2.gz SXVWJARCPGONDO-UHFFFAOYSA-N 0 0 432.249 3.703 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccc(Cl)cc3)nn21)Nc1ccc2c(c1)OCO2 ZINC000015881692 568855973 /nfs/dbraw/zinc/85/59/73/568855973.db2.gz XETJHMMQYBLSSE-UHFFFAOYSA-N 0 0 439.884 3.904 50 0 IHAARN COc1ccc(OC)c2sc(N3CCN(C(=O)CSc4ccccc4)CC3)nc21 ZINC000015882430 568856450 /nfs/dbraw/zinc/85/64/50/568856450.db2.gz HXZBKRKCILTIFW-UHFFFAOYSA-N 0 0 429.567 3.754 50 0 IHAARN CCOc1cc(CN(C(=O)CNC(=O)NCc2ccccc2)C2CC2)ccc1OC(F)F ZINC000012937179 568866043 /nfs/dbraw/zinc/86/60/43/568866043.db2.gz UBKICUHRMWNIPV-UHFFFAOYSA-N 0 0 447.482 3.677 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000012939072 568868035 /nfs/dbraw/zinc/86/80/35/568868035.db2.gz ZZWFCQMQJRMFLH-UHFFFAOYSA-N 0 0 428.582 3.549 50 0 IHAARN CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1O ZINC000006181236 568868094 /nfs/dbraw/zinc/86/80/94/568868094.db2.gz WEBFOPHJLJGZAX-ZDUSSCGKSA-N 0 0 447.944 3.535 50 0 IHAARN CCOc1cc(COC(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OC(F)F ZINC000012945948 568870904 /nfs/dbraw/zinc/87/09/04/568870904.db2.gz OEQIONSKSHUTCJ-UHFFFAOYSA-N 0 0 426.412 3.998 50 0 IHAARN Cc1sc2[nH]c([C@H]3S[C@@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946247 568871103 /nfs/dbraw/zinc/87/11/03/568871103.db2.gz HAMZKWOORWGIQF-PXAZEXFGSA-N 0 0 425.457 3.921 50 0 IHAARN COc1ccc(CN(C2CC2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000012947073 568871244 /nfs/dbraw/zinc/87/12/44/568871244.db2.gz WCLQPMFOPAEXDH-UHFFFAOYSA-N 0 0 426.332 3.820 50 0 IHAARN CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 ZINC000012948306 568871640 /nfs/dbraw/zinc/87/16/40/568871640.db2.gz GZIIPLGBJKPUQF-UHFFFAOYSA-N 0 0 429.499 3.673 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000026289678 568876484 /nfs/dbraw/zinc/87/64/84/568876484.db2.gz JQMQNYWDTALXDU-HXUWFJFHSA-N 0 0 425.554 3.752 50 0 IHAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000008768857 568877807 /nfs/dbraw/zinc/87/78/07/568877807.db2.gz UJCJUCNMJHWHKN-KRWDZBQOSA-N 0 0 445.541 3.684 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)CC2=O)cc1C ZINC000575606843 568878227 /nfs/dbraw/zinc/87/82/27/568878227.db2.gz MOPFRINPAXLCEP-INIZCTEOSA-N 0 0 432.471 3.649 50 0 IHAARN Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)n1 ZINC000575613340 568879815 /nfs/dbraw/zinc/87/98/15/568879815.db2.gz GAGPVZORDGERRU-KRWDZBQOSA-N 0 0 436.459 3.925 50 0 IHAARN Cn1cc(-c2cc(CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccn2)cn1 ZINC000575617972 568881836 /nfs/dbraw/zinc/88/18/36/568881836.db2.gz FWTQVOXUHHRTBX-UHFFFAOYSA-N 0 0 430.839 3.633 50 0 IHAARN Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(Br)s3)Cc3ccccc32)cn1 ZINC000575618846 568882300 /nfs/dbraw/zinc/88/23/00/568882300.db2.gz JGAXSRXRNDYOII-OAHLLOKOSA-N 0 0 438.372 3.581 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 ZINC000035478079 568882541 /nfs/dbraw/zinc/88/25/41/568882541.db2.gz DCNGJYDEQIPOKH-FQEVSTJZSA-N 0 0 430.508 3.804 50 0 IHAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619911 568882999 /nfs/dbraw/zinc/88/29/99/568882999.db2.gz NCGVTCMAXZQUTE-UHFFFAOYSA-N 0 0 443.482 3.888 50 0 IHAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)C1(c2ccccc2)CCOCC1 ZINC000090504325 568886443 /nfs/dbraw/zinc/88/64/43/568886443.db2.gz HKMVAYGOHDHWGV-UHFFFAOYSA-N 0 0 431.536 3.876 50 0 IHAARN O=C(CCSc1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000090558865 568887781 /nfs/dbraw/zinc/88/77/81/568887781.db2.gz UQOKDZLCKGZADG-UHFFFAOYSA-N 0 0 435.553 3.840 50 0 IHAARN Cc1cc(C(=O)Nc2nc(C(=O)NCc3ccc(OCc4ccccc4)cc3)co2)no1 ZINC000090583097 568888126 /nfs/dbraw/zinc/88/81/26/568888126.db2.gz OOXCFGYQIUBLRV-UHFFFAOYSA-N 0 0 432.436 3.732 50 0 IHAARN CCn1c(SCC(=O)N2CCN(Cc3cccc(C)c3)CC2)nnc1-c1cccs1 ZINC000012971678 568888243 /nfs/dbraw/zinc/88/82/43/568888243.db2.gz ALPHNPOAYGYIOB-UHFFFAOYSA-N 0 0 441.626 3.771 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609111 568891312 /nfs/dbraw/zinc/89/13/12/568891312.db2.gz ISLJMLGUOLGYGM-INIZCTEOSA-N 0 0 435.977 3.583 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCCn2nc3ccccn3c2=O)c1C ZINC000012978607 568891860 /nfs/dbraw/zinc/89/18/60/568891860.db2.gz VGKWCZOUWGNGFK-UHFFFAOYSA-N 0 0 443.532 3.604 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)cc1OCC ZINC000035552647 568893333 /nfs/dbraw/zinc/89/33/33/568893333.db2.gz NAUAIEUENQIAEU-UHFFFAOYSA-N 0 0 436.512 3.805 50 0 IHAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000016124232 568893553 /nfs/dbraw/zinc/89/35/53/568893553.db2.gz WZBGOIRJGFIMII-JLHYYAGUSA-N 0 0 426.947 3.537 50 0 IHAARN O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000012989189 568895246 /nfs/dbraw/zinc/89/52/46/568895246.db2.gz LDERGTFDHHFIOF-HJGBXLFDSA-N 0 0 430.618 3.935 50 0 IHAARN CCCCn1nc(C)c(/C=C/C(=O)Oc2ccc(C)cc2S(=O)(=O)N(C)C)c1Cl ZINC000040155069 568896488 /nfs/dbraw/zinc/89/64/88/568896488.db2.gz IPWBTDIAQSOSOK-PKNBQFBNSA-N 0 0 439.965 3.823 50 0 IHAARN Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000013000893 568898734 /nfs/dbraw/zinc/89/87/34/568898734.db2.gz UHASFIJVKKFZRX-UHFFFAOYSA-N 0 0 441.557 3.748 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1I ZINC000013005164 568899124 /nfs/dbraw/zinc/89/91/24/568899124.db2.gz PNFQEFMSJXJQRE-KRWDZBQOSA-N 0 0 434.277 3.843 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000013005124 568899170 /nfs/dbraw/zinc/89/91/70/568899170.db2.gz JKWZWMUFTUNPCD-UHFFFAOYSA-N 0 0 429.527 3.602 50 0 IHAARN CCCN(CC(=O)Nc1sccc1C(=O)OCC)Cc1nnc(-c2cccs2)o1 ZINC000013009887 568899662 /nfs/dbraw/zinc/89/96/62/568899662.db2.gz LEKPHSBFKOLKDV-UHFFFAOYSA-N 0 0 434.543 3.887 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000013012484 568901241 /nfs/dbraw/zinc/90/12/41/568901241.db2.gz DXEYXOXOBKPPEB-GFCCVEGCSA-N 0 0 440.306 3.844 50 0 IHAARN CC[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000390832741 568909369 /nfs/dbraw/zinc/90/93/69/568909369.db2.gz VLYRJXLHVQQJKA-PKTZIBPZSA-N 0 0 430.504 3.796 50 0 IHAARN O=C([C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000238882190 568909994 /nfs/dbraw/zinc/90/99/94/568909994.db2.gz CREOEBMBSLKTPF-YHBQERECSA-N 0 0 444.579 3.547 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000239203519 568910852 /nfs/dbraw/zinc/91/08/52/568910852.db2.gz SNTJTEVKGUJQCL-KSNOWIBYSA-N 0 0 440.540 3.716 50 0 biogenic IHAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000240423816 568911910 /nfs/dbraw/zinc/91/19/10/568911910.db2.gz FRCKNUJHOKRELR-FHWLQOOXSA-N 0 0 430.545 3.761 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245309434 568914248 /nfs/dbraw/zinc/91/42/48/568914248.db2.gz CTLOGBVHJCVBFC-NXNJFABFSA-N 0 0 449.510 3.952 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245309788 568914596 /nfs/dbraw/zinc/91/45/96/568914596.db2.gz GJZVOTCXZHCVEC-WTGUMLROSA-N 0 0 426.394 3.810 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000026749057 568916294 /nfs/dbraw/zinc/91/62/94/568916294.db2.gz KPCKJQADCCZRAP-UHFFFAOYSA-N 0 0 445.548 3.789 50 0 IHAARN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccccc2)c(C(=O)OCC)c1C ZINC000001879910 568917478 /nfs/dbraw/zinc/91/74/78/568917478.db2.gz ZJUWYDNMXFQWRL-VAWYXSNFSA-N 0 0 446.550 3.936 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2C)cc1 ZINC000064370034 568920028 /nfs/dbraw/zinc/92/00/28/568920028.db2.gz QROGULIVONPLBM-UHFFFAOYSA-N 0 0 440.554 3.804 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1cccc(Br)c1 ZINC000016517522 568920552 /nfs/dbraw/zinc/92/05/52/568920552.db2.gz MKESSQVZDXRXOR-SFHVURJKSA-N 0 0 445.269 3.896 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1 ZINC000026916108 568924617 /nfs/dbraw/zinc/92/46/17/568924617.db2.gz IPWGJBFZIYVJJQ-UHFFFAOYSA-N 0 0 438.933 3.800 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(I)c3)ccc12 ZINC000002150596 568925233 /nfs/dbraw/zinc/92/52/33/568925233.db2.gz CAVCHGQBOQJOIY-UHFFFAOYSA-N 0 0 435.217 3.724 50 0 biogenic IHAARN C[C@@H]1S[C@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(F)cc2)C1=O ZINC000016608104 568925452 /nfs/dbraw/zinc/92/54/52/568925452.db2.gz NUWAGMDIMPIDLW-HJPURHCSSA-N 0 0 425.529 3.937 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2c(c(COc3ccccc3)nn2C)C1 ZINC000064566032 568932810 /nfs/dbraw/zinc/93/28/10/568932810.db2.gz LMQWMYACWPACOJ-UHFFFAOYSA-N 0 0 431.945 3.708 50 0 IHAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000064566106 568932837 /nfs/dbraw/zinc/93/28/37/568932837.db2.gz IOZZDMCUAJYGSR-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)c(C)c1 ZINC000064566115 568932864 /nfs/dbraw/zinc/93/28/64/568932864.db2.gz FCCONMRUODNHHH-UHFFFAOYSA-N 0 0 447.470 3.792 50 0 IHAARN Cc1ccc(CNC(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1 ZINC000064566431 568933184 /nfs/dbraw/zinc/93/31/84/568933184.db2.gz PEQNSFSXOBHTCW-UHFFFAOYSA-N 0 0 428.496 3.713 50 0 IHAARN COc1cccc(-n2ccn3c(SCC(=O)c4ccccc4Cl)nnc3c2=O)c1 ZINC000064593641 568936005 /nfs/dbraw/zinc/93/60/05/568936005.db2.gz DOTVLDMRJWXGLS-UHFFFAOYSA-N 0 0 426.885 3.517 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(Cl)cc3)cc(NC(C)=O)c2=O)cc1 ZINC000064605048 568939098 /nfs/dbraw/zinc/93/90/98/568939098.db2.gz DHIUONSVEYBLKP-ZDUSSCGKSA-N 0 0 440.887 3.730 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000035990381 568941802 /nfs/dbraw/zinc/94/18/02/568941802.db2.gz VMNPHNHZZWRIRB-UHFFFAOYSA-N 0 0 435.576 3.625 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000064675913 568943801 /nfs/dbraw/zinc/94/38/01/568943801.db2.gz YOOVXULYSDEWMN-ZDUSSCGKSA-N 0 0 430.979 3.656 50 0 IHAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)NC(C)C)c1 ZINC000036043232 568944201 /nfs/dbraw/zinc/94/42/01/568944201.db2.gz CKELRMKFWHBQBS-XDHUDOTRSA-N 0 0 441.572 3.908 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(C)ccc4n3)CC2)cc1 ZINC000006657899 568944358 /nfs/dbraw/zinc/94/43/58/568944358.db2.gz KXEVSGQPBGWATR-IBGZPJMESA-N 0 0 426.586 3.663 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000064727890 568945672 /nfs/dbraw/zinc/94/56/72/568945672.db2.gz FXGBXJZKFWPLIW-UHFFFAOYSA-N 0 0 426.519 3.921 50 0 IHAARN COCCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072417 568946073 /nfs/dbraw/zinc/94/60/73/568946073.db2.gz SBXNYUZJUKYSPN-UHFFFAOYSA-N 0 0 433.430 3.671 50 0 IHAARN CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000064747157 568949976 /nfs/dbraw/zinc/94/99/76/568949976.db2.gz MCXBGGRDJYLAKD-KRWDZBQOSA-N 0 0 436.434 3.677 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000064747898 568950630 /nfs/dbraw/zinc/95/06/30/568950630.db2.gz WHUJNGAYHXNWOV-UHFFFAOYSA-N 0 0 434.539 3.996 50 0 IHAARN COCCN(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)c1cccs1 ZINC000036094260 568951231 /nfs/dbraw/zinc/95/12/31/568951231.db2.gz YTEZFILKFSCNPN-UHFFFAOYSA-N 0 0 448.566 3.573 50 0 IHAARN COCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)NCc3cccnc3)c(C)n21 ZINC000064761282 568952331 /nfs/dbraw/zinc/95/23/31/568952331.db2.gz XXKLBMJWJZPLOO-UHFFFAOYSA-N 0 0 439.516 3.894 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(C)c4)sc3C2)cc1 ZINC000064769056 568953147 /nfs/dbraw/zinc/95/31/47/568953147.db2.gz RABJHRWSLMVEOL-UHFFFAOYSA-N 0 0 427.551 3.759 50 0 IHAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)NC(C)(C)C)cs2)c1 ZINC000036115135 568955456 /nfs/dbraw/zinc/95/54/56/568955456.db2.gz WLNSOFSULJKVBG-UHFFFAOYSA-N 0 0 446.617 3.673 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(C)=O ZINC000036117254 568955614 /nfs/dbraw/zinc/95/56/14/568955614.db2.gz PEGUGANQHMPOCH-HRAATJIYSA-N 0 0 430.570 3.909 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000036118433 568955942 /nfs/dbraw/zinc/95/59/42/568955942.db2.gz GFDOQKCMSYVIES-PONJGIIJSA-N 0 0 438.547 3.943 50 0 IHAARN CC[C@H](C(=O)NCCc1ccc(SC)cc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787551 568956282 /nfs/dbraw/zinc/95/62/82/568956282.db2.gz IMVMNIKMFZXAMV-HXUWFJFHSA-N 0 0 434.565 3.920 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(F)cc4F)c(=O)n23)c1 ZINC000064788063 568956428 /nfs/dbraw/zinc/95/64/28/568956428.db2.gz FQAUWBJDVDUNHC-UHFFFAOYSA-N 0 0 443.431 3.971 50 0 IHAARN CCCNC(=O)N(CC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036123217 568958472 /nfs/dbraw/zinc/95/84/72/568958472.db2.gz BLZWIJWLSQAOLQ-LJQANCHMSA-N 0 0 433.549 3.834 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000036123231 568958501 /nfs/dbraw/zinc/95/85/01/568958501.db2.gz FSODFMKEOYCCEU-HXUWFJFHSA-N 0 0 445.560 3.974 50 0 IHAARN COc1ccccc1CN(C(=O)c1ccccc1Cl)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000064791905 568959071 /nfs/dbraw/zinc/95/90/71/568959071.db2.gz HCOIBFSOIPGIOZ-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)NCc1ccc(F)cc1 ZINC000064792546 568959357 /nfs/dbraw/zinc/95/93/57/568959357.db2.gz BZKGJIYXBNDTHD-QHCPKHFHSA-N 0 0 440.482 3.579 50 0 IHAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)N3CCC(C)CC3)c3nnnn32)cc1 ZINC000064793037 568959617 /nfs/dbraw/zinc/95/96/17/568959617.db2.gz OQIHQAFGAJWEJQ-QHCPKHFHSA-N 0 0 428.540 3.691 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc(OC)c1O ZINC000064798017 568960433 /nfs/dbraw/zinc/96/04/33/568960433.db2.gz ZLNYYHXRHWUZNT-CQSZACIVSA-N 0 0 445.518 3.778 50 0 IHAARN Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000064800544 568961252 /nfs/dbraw/zinc/96/12/52/568961252.db2.gz NRWOEUMRYARQFD-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000064802076 568961864 /nfs/dbraw/zinc/96/18/64/568961864.db2.gz RSXXKYZDAHSTCB-UHFFFAOYSA-N 0 0 441.513 3.532 50 0 IHAARN CC[C@@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccccc1Cl ZINC000064817320 568964553 /nfs/dbraw/zinc/96/45/53/568964553.db2.gz WEXSOVWTSNKACQ-CYBMUJFWSA-N 0 0 447.992 3.630 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064816269 568965038 /nfs/dbraw/zinc/96/50/38/568965038.db2.gz OYEQJQCWYAJVJS-DEOSSOPVSA-N 0 0 434.496 3.630 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(C)nn2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064816438 568965302 /nfs/dbraw/zinc/96/53/02/568965302.db2.gz PNFDTMRFGWRGKV-QHCPKHFHSA-N 0 0 438.915 3.589 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000064819106 568965988 /nfs/dbraw/zinc/96/59/88/568965988.db2.gz OHJWMCXLYIEUSU-UHFFFAOYSA-N 0 0 430.430 3.549 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036157494 568966057 /nfs/dbraw/zinc/96/60/57/568966057.db2.gz QCQXBMQABZTQFX-QHCPKHFHSA-N 0 0 435.568 3.514 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3nc2N2CCCC2)c1 ZINC000064819424 568966205 /nfs/dbraw/zinc/96/62/05/568966205.db2.gz PWLUMDUMKFDYBT-UHFFFAOYSA-N 0 0 428.492 3.817 50 0 IHAARN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818337 568966409 /nfs/dbraw/zinc/96/64/09/568966409.db2.gz RAKGIYPRKCGQGS-HNNXBMFYSA-N 0 0 438.915 3.915 50 0 IHAARN O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000064830565 568967879 /nfs/dbraw/zinc/96/78/79/568967879.db2.gz YMAFHAQMPOSMIB-XMMPIXPASA-N 0 0 438.271 3.720 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000036171284 568968758 /nfs/dbraw/zinc/96/87/58/568968758.db2.gz NRRXXNLHWWMHHV-UHFFFAOYSA-N 0 0 433.574 3.606 50 0 IHAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000036185548 568970359 /nfs/dbraw/zinc/97/03/59/568970359.db2.gz RAPDRSFTPPLFFT-HXUWFJFHSA-N 0 0 435.902 3.721 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)c(C)c1 ZINC000064841697 568970415 /nfs/dbraw/zinc/97/04/15/568970415.db2.gz BPEOHTCRFJXWGL-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN O=C(NC1CCCC1)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000064861970 568973940 /nfs/dbraw/zinc/97/39/40/568973940.db2.gz GQRRWENNAAHFHU-UHFFFAOYSA-N 0 0 433.961 3.833 50 0 IHAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCCCc3ccccc3)c2)on1 ZINC000064866084 568974247 /nfs/dbraw/zinc/97/42/47/568974247.db2.gz CRKAHBIQGXUQQA-UHFFFAOYSA-N 0 0 426.538 3.871 50 0 IHAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)n(C)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000064865949 568974280 /nfs/dbraw/zinc/97/42/80/568974280.db2.gz PISOYMNGRNPODB-INIZCTEOSA-N 0 0 429.586 3.798 50 0 IHAARN COc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000064867021 568974840 /nfs/dbraw/zinc/97/48/40/568974840.db2.gz BNGBELAJDULVPV-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210677 568975199 /nfs/dbraw/zinc/97/51/99/568975199.db2.gz KPIMMHUDFHEGBM-RDPSFJRHSA-N 0 0 449.595 3.869 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(OC)c2)c2cc(C)c(C)cc2N1 ZINC000064869383 568975844 /nfs/dbraw/zinc/97/58/44/568975844.db2.gz MYCXFOJRTADTJP-UHFFFAOYSA-N 0 0 437.496 3.546 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2cc(C)c(C)cc2N1 ZINC000064869336 568975860 /nfs/dbraw/zinc/97/58/60/568975860.db2.gz CPVHGWIPXLMGCD-UHFFFAOYSA-N 0 0 443.450 3.816 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211988 568975862 /nfs/dbraw/zinc/97/58/62/568975862.db2.gz XZFFOWKQTAEAEZ-XMSQKQJNSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036212156 568976009 /nfs/dbraw/zinc/97/60/09/568976009.db2.gz QCKNGINHWKVYRP-CVDCTZTESA-N 0 0 429.605 3.539 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036212878 568976800 /nfs/dbraw/zinc/97/68/00/568976800.db2.gz OLLUMTWQABUUNN-XMMPIXPASA-N 0 0 449.595 3.726 50 0 IHAARN CC(C)C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)NC2CC2)cc1 ZINC000036215331 568977430 /nfs/dbraw/zinc/97/74/30/568977430.db2.gz FKZWVSUJCVWVTQ-NHCUHLMSSA-N 0 0 439.487 3.761 50 0 IHAARN COCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C ZINC000036225390 568978129 /nfs/dbraw/zinc/97/81/29/568978129.db2.gz XMUBEBCODJZMNZ-OAHLLOKOSA-N 0 0 436.647 3.939 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873419 568978477 /nfs/dbraw/zinc/97/84/77/568978477.db2.gz YCZBNCMOIMNBEB-UHFFFAOYSA-N 0 0 443.478 3.923 50 0 IHAARN Cc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1C ZINC000064889128 568980266 /nfs/dbraw/zinc/98/02/66/568980266.db2.gz VSVQCIDHBGZXEY-UHFFFAOYSA-N 0 0 440.569 3.857 50 0 IHAARN CC(C)Cn1c2ccc(-c3noc(COc4ccc(Cl)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890941 568980915 /nfs/dbraw/zinc/98/09/15/568980915.db2.gz MEOODCBIYRBVIJ-UHFFFAOYSA-N 0 0 426.860 3.628 50 0 IHAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889481 568980966 /nfs/dbraw/zinc/98/09/66/568980966.db2.gz OGRDZHBYKHSWOY-UHFFFAOYSA-N 0 0 443.301 3.932 50 0 IHAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2nc(C)c1=O ZINC000064890325 568981309 /nfs/dbraw/zinc/98/13/09/568981309.db2.gz HFTVIOYLQQSRAI-QGZVFWFLSA-N 0 0 429.480 3.604 50 0 IHAARN CC(C)CC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249283 568983229 /nfs/dbraw/zinc/98/32/29/568983229.db2.gz XWZPPZOLLTUBQK-FQEVSTJZSA-N 0 0 445.535 3.871 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1 ZINC000064892407 568983425 /nfs/dbraw/zinc/98/34/25/568983425.db2.gz MVMUENQQDHZBCA-UHFFFAOYSA-N 0 0 436.599 3.886 50 0 IHAARN CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036253146 568984234 /nfs/dbraw/zinc/98/42/34/568984234.db2.gz WMHDCLBWZZUXDI-LJQANCHMSA-N 0 0 426.388 3.836 50 0 IHAARN CCN(C)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251021 568984627 /nfs/dbraw/zinc/98/46/27/568984627.db2.gz YJHYDYKVESKSEU-LJQANCHMSA-N 0 0 426.388 3.788 50 0 IHAARN Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000036255234 568985058 /nfs/dbraw/zinc/98/50/58/568985058.db2.gz KPJOPCUTWJJPIJ-QFIPXVFZSA-N 0 0 425.598 3.690 50 0 IHAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)c(C)c1 ZINC000064922158 568985779 /nfs/dbraw/zinc/98/57/79/568985779.db2.gz AVZPXZKAZYHRDF-UHFFFAOYSA-N 0 0 432.590 3.525 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927654 568986781 /nfs/dbraw/zinc/98/67/81/568986781.db2.gz SGIFFCGEENCRKY-IBGZPJMESA-N 0 0 448.542 3.726 50 0 IHAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O ZINC000064926209 568986920 /nfs/dbraw/zinc/98/69/20/568986920.db2.gz LUSJFRVNHSMSGF-UHFFFAOYSA-N 0 0 445.445 3.789 50 0 IHAARN O=C(NC1CCCCC1)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926146 568986927 /nfs/dbraw/zinc/98/69/27/568986927.db2.gz HXUKSJONMUIRNF-UHFFFAOYSA-N 0 0 445.567 3.609 50 0 IHAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927364 568987036 /nfs/dbraw/zinc/98/70/36/568987036.db2.gz OYJLFVMOQZXEIO-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927385 568987048 /nfs/dbraw/zinc/98/70/48/568987048.db2.gz ATFNDVDJVMBGHE-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928869 568987274 /nfs/dbraw/zinc/98/72/74/568987274.db2.gz VOSHTIUADWPRAW-QGZVFWFLSA-N 0 0 440.906 3.558 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)N[C@@H](C)c4ccccc4)C3)ccc2=O)cc1 ZINC000064928335 568987480 /nfs/dbraw/zinc/98/74/80/568987480.db2.gz ACEIJDPLRNCLAZ-UGKGYDQZSA-N 0 0 430.552 3.889 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)ccc2=O)cc1 ZINC000064928331 568987515 /nfs/dbraw/zinc/98/75/15/568987515.db2.gz AFAPNQRVNDFTSK-QHCPKHFHSA-N 0 0 444.579 3.760 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)c1 ZINC000064929168 568988025 /nfs/dbraw/zinc/98/80/25/568988025.db2.gz YYTOENAXFFPVFF-IBGZPJMESA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064929898 568988332 /nfs/dbraw/zinc/98/83/32/568988332.db2.gz MWURLCKLZMEGAY-GOSISDBHSA-N 0 0 440.500 3.844 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064930037 568988399 /nfs/dbraw/zinc/98/83/99/568988399.db2.gz PQMYYGKGJIIPFV-SFHVURJKSA-N 0 0 440.500 3.980 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000064930992 568989280 /nfs/dbraw/zinc/98/92/80/568989280.db2.gz OLDYVLDJOZMNMZ-MRXNPFEDSA-N 0 0 448.957 3.970 50 0 IHAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1 ZINC000169680433 568991702 /nfs/dbraw/zinc/99/17/02/568991702.db2.gz XYCNPRRWCIEZGX-YADARESESA-N 0 0 439.625 3.719 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)c(OC)c1 ZINC000064942667 568992122 /nfs/dbraw/zinc/99/21/22/568992122.db2.gz XEYTWZJEQBKQEZ-UHFFFAOYSA-N 0 0 432.885 3.837 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1 ZINC000064942697 568992263 /nfs/dbraw/zinc/99/22/63/568992263.db2.gz CMKJGUMSLLGPQR-UHFFFAOYSA-N 0 0 429.885 3.779 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1cccc(Cl)c1 ZINC000064945746 568992890 /nfs/dbraw/zinc/99/28/90/568992890.db2.gz JBFLQDXWPIPHEJ-UHFFFAOYSA-N 0 0 427.917 3.667 50 0 IHAARN COc1cc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc(OC)c1 ZINC000064945297 568993596 /nfs/dbraw/zinc/99/35/96/568993596.db2.gz OZCPUBNYSYVTTG-UHFFFAOYSA-N 0 0 436.537 3.787 50 0 IHAARN O=C(NCc1ccco1)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310390 568996677 /nfs/dbraw/zinc/99/66/77/568996677.db2.gz GKKQSTDIRCISHM-OAQYLSRUSA-N 0 0 444.963 3.958 50 0 IHAARN Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000006807996 568997120 /nfs/dbraw/zinc/99/71/20/568997120.db2.gz ITZJAOQESDXALN-UHFFFAOYSA-N 0 0 426.948 3.919 50 0 IHAARN CC(C)COC[C@H](O)CN(Cc1ccco1)Cc1nc2sc(C(C)C)cc2c(=O)[nH]1 ZINC000036313177 568998033 /nfs/dbraw/zinc/99/80/33/568998033.db2.gz LYXGAVJGWVHXDH-MRXNPFEDSA-N 0 0 433.574 3.737 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21)Nc1ccccc1Cl ZINC000064957044 568999320 /nfs/dbraw/zinc/99/93/20/568999320.db2.gz GSKMTKRLZZLKSF-UHFFFAOYSA-N 0 0 426.908 3.533 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc(F)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959192 568999871 /nfs/dbraw/zinc/99/98/71/568999871.db2.gz QYACVSLHGIESIU-AWEZNQCLSA-N 0 0 436.439 3.696 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCCN32)cc1 ZINC000138556425 569000613 /nfs/dbraw/zinc/00/06/13/569000613.db2.gz MNDQEJIRPBOIAS-XUVXKRRUSA-N 0 0 446.334 3.928 50 0 IHAARN COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4)c3C)c(C)o2)c1OC ZINC000064967404 569001945 /nfs/dbraw/zinc/00/19/45/569001945.db2.gz ZMILLRNLKWZQCN-UHFFFAOYSA-N 0 0 433.468 3.868 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCc1cccc(Cl)c1)c2=O ZINC000064971140 569076487 /nfs/dbraw/zinc/07/64/87/569076487.db2.gz JRFULALMULEKLV-MRXNPFEDSA-N 0 0 435.915 3.730 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCCc2ccccc2)c1 ZINC000064972398 569076906 /nfs/dbraw/zinc/07/69/06/569076906.db2.gz WKLLKFOUUCVBJW-VWLOTQADSA-N 0 0 448.588 3.860 50 0 IHAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000064979443 569077867 /nfs/dbraw/zinc/07/78/67/569077867.db2.gz XRBPHPXKAYJCBE-UHFFFAOYSA-N 0 0 441.553 3.786 50 0 IHAARN Cc1cccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3F)C2)c1 ZINC000036343028 569079632 /nfs/dbraw/zinc/07/96/32/569079632.db2.gz LXACXDPHJQFSEG-HSZRJFAPSA-N 0 0 437.515 3.651 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036345201 569080664 /nfs/dbraw/zinc/08/06/64/569080664.db2.gz VJPAIHUPQGVYAU-QHCPKHFHSA-N 0 0 437.515 3.779 50 0 IHAARN CC(C)CC(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036347105 569081610 /nfs/dbraw/zinc/08/16/10/569081610.db2.gz QOCBMSXJRZQKOC-JOCHJYFZSA-N 0 0 448.007 3.736 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCC(C)C)Oc3ccc(Cl)cc32)cc1 ZINC000064986194 569081881 /nfs/dbraw/zinc/08/18/81/569081881.db2.gz NAJPEVZSVQYVDT-HXUWFJFHSA-N 0 0 436.961 3.767 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985379 569081975 /nfs/dbraw/zinc/08/19/75/569081975.db2.gz VMINCMQNBJQVIK-OAQYLSRUSA-N 0 0 442.924 3.613 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986895 569082437 /nfs/dbraw/zinc/08/24/37/569082437.db2.gz ZGHJCUQOGSYKJU-UHFFFAOYSA-N 0 0 428.489 3.996 50 0 IHAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccc2c(c1)OCCCO2 ZINC000064987019 569082531 /nfs/dbraw/zinc/08/25/31/569082531.db2.gz QWPMONTUHZMFGC-UHFFFAOYSA-N 0 0 432.398 3.864 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O ZINC000064987702 569082674 /nfs/dbraw/zinc/08/26/74/569082674.db2.gz VTMMLJPFAIIOSW-UHFFFAOYSA-N 0 0 440.503 3.897 50 0 IHAARN COc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1OC ZINC000064988925 569082914 /nfs/dbraw/zinc/08/29/14/569082914.db2.gz LDZCLUSXVIGKIC-UHFFFAOYSA-N 0 0 438.528 3.638 50 0 IHAARN O=C(NCc1nnc(C(=O)Nc2cccc(F)c2)s1)c1cc(-c2ccc(F)cc2)on1 ZINC000064991102 569083553 /nfs/dbraw/zinc/08/35/53/569083553.db2.gz XXKXLAXFAKHFAA-UHFFFAOYSA-N 0 0 441.419 3.654 50 0 IHAARN COc1cc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)cc(OC)c1OC ZINC000036357253 569084453 /nfs/dbraw/zinc/08/44/53/569084453.db2.gz CJNBVTRCJSEZSU-UHFFFAOYSA-N 0 0 445.475 3.723 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)NCCCOC(C)C)ccc3c2=O)cc1Cl ZINC000036357890 569084820 /nfs/dbraw/zinc/08/48/20/569084820.db2.gz CBCAIVUDRFESPW-UHFFFAOYSA-N 0 0 429.904 3.593 50 0 IHAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3cccc(F)c3)co1)CC2 ZINC000036365310 569086793 /nfs/dbraw/zinc/08/67/93/569086793.db2.gz VAPNZCGPJKXDLX-UHFFFAOYSA-N 0 0 425.456 3.933 50 0 IHAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000036366866 569087406 /nfs/dbraw/zinc/08/74/06/569087406.db2.gz PKTSCPWLWWPWAL-QFIPXVFZSA-N 0 0 438.503 3.849 50 0 IHAARN COCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065007034 569087609 /nfs/dbraw/zinc/08/76/09/569087609.db2.gz MEEDWNOEWUDVOT-HNNXBMFYSA-N 0 0 447.576 3.899 50 0 IHAARN Cc1ccc(-c2ccc(Nc3ccc(Cl)cc3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009379 569087877 /nfs/dbraw/zinc/08/78/77/569087877.db2.gz VUCWSKPWJLYYEA-UHFFFAOYSA-N 0 0 444.944 3.870 50 0 IHAARN CCc1cccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)c1 ZINC000065009455 569087984 /nfs/dbraw/zinc/08/79/84/569087984.db2.gz VFGMLXSSZZFIOM-UHFFFAOYSA-N 0 0 438.553 3.779 50 0 IHAARN COc1ccc(-c2ccc(Nc3cccc(F)c3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009584 569088019 /nfs/dbraw/zinc/08/80/19/569088019.db2.gz QICABZSCRCFKAX-UHFFFAOYSA-N 0 0 428.489 3.819 50 0 IHAARN CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)c1OC ZINC000036369829 569088438 /nfs/dbraw/zinc/08/84/38/569088438.db2.gz WJTCDMYWRHYSLM-UHFFFAOYSA-N 0 0 432.484 3.591 50 0 biogenic IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023661 569089386 /nfs/dbraw/zinc/08/93/86/569089386.db2.gz MPDUNCMYYDPODS-OAQYLSRUSA-N 0 0 443.551 3.835 50 0 IHAARN CCOc1ccc(CNC(=O)COc2nc(CC)nc3onc(-c4ccccc4)c32)cc1 ZINC000065024786 569089734 /nfs/dbraw/zinc/08/97/34/569089734.db2.gz HAYVHPQVOZKRKM-UHFFFAOYSA-N 0 0 432.480 3.941 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2cnn3c2nccc3-c2ccccc2F)CC1 ZINC000065026770 569089977 /nfs/dbraw/zinc/08/99/77/569089977.db2.gz CZSOXYCGZXEFQU-UHFFFAOYSA-N 0 0 445.498 3.897 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC[C@H]4CCCO4)no3)cc2)c1 ZINC000065027144 569090156 /nfs/dbraw/zinc/09/01/56/569090156.db2.gz PUMFCJRYQDFITH-HXUWFJFHSA-N 0 0 435.480 3.723 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000065025848 569090861 /nfs/dbraw/zinc/09/08/61/569090861.db2.gz UHHOWTXZKWLLNA-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN Cc1cccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)c1 ZINC000065025945 569090898 /nfs/dbraw/zinc/09/08/98/569090898.db2.gz LWJOQEGHEOPILS-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1C ZINC000065034538 569092127 /nfs/dbraw/zinc/09/21/27/569092127.db2.gz DRVVNIPOTBXSRD-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1C ZINC000065034733 569092306 /nfs/dbraw/zinc/09/23/06/569092306.db2.gz GQLRVQDPMXTORO-UHFFFAOYSA-N 0 0 425.554 3.656 50 0 IHAARN CCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC3 ZINC000065035064 569092541 /nfs/dbraw/zinc/09/25/41/569092541.db2.gz UFQYEFBHQISWIR-UHFFFAOYSA-N 0 0 425.916 3.749 50 0 IHAARN COc1cc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc(OC)c1OC ZINC000169755210 569093467 /nfs/dbraw/zinc/09/34/67/569093467.db2.gz QNMMDFIUJTWIMG-CYBMUJFWSA-N 0 0 429.860 3.936 50 0 IHAARN O=C(c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000169759588 569094007 /nfs/dbraw/zinc/09/40/07/569094007.db2.gz AURPKHTUNSCJIB-JOCHJYFZSA-N 0 0 440.906 3.910 50 0 IHAARN CCN(C(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O)c1cccc(C)c1 ZINC000169757825 569094068 /nfs/dbraw/zinc/09/40/68/569094068.db2.gz LFPLYFPBIBGBMH-OAQYLSRUSA-N 0 0 439.899 3.579 50 0 IHAARN Cc1cccc(Cl)c1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000169757908 569094139 /nfs/dbraw/zinc/09/41/39/569094139.db2.gz IOVMBWWQDDWLRU-IBGZPJMESA-N 0 0 446.290 3.818 50 0 IHAARN CSc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000065061904 569096941 /nfs/dbraw/zinc/09/69/41/569096941.db2.gz IGJTXHOLQZOOOE-OAHLLOKOSA-N 0 0 438.640 3.823 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000065061911 569096945 /nfs/dbraw/zinc/09/69/45/569096945.db2.gz FPDTXQYWINDTSO-INIZCTEOSA-N 0 0 436.599 3.500 50 0 IHAARN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000036391160 569097161 /nfs/dbraw/zinc/09/71/61/569097161.db2.gz ZCLREDSYYKHWEJ-HXUWFJFHSA-N 0 0 441.484 3.805 50 0 IHAARN Cc1cn2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2c(N2CCSCC2)n1 ZINC000169768833 569098119 /nfs/dbraw/zinc/09/81/19/569098119.db2.gz NCUOPLPHHAXBLU-UHFFFAOYSA-N 0 0 435.475 3.540 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000036393461 569098416 /nfs/dbraw/zinc/09/84/16/569098416.db2.gz RCXSUPGZHNFEPG-CYBMUJFWSA-N 0 0 425.934 3.984 50 0 IHAARN COc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCC3)no2)cc1 ZINC000065076017 569099242 /nfs/dbraw/zinc/09/92/42/569099242.db2.gz NKILMVUPRSFJFU-UHFFFAOYSA-N 0 0 432.484 3.560 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000065074952 569099315 /nfs/dbraw/zinc/09/93/15/569099315.db2.gz QWAJAUUSBWGGHT-AREMUKBSSA-N 0 0 430.504 3.982 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077256 569100235 /nfs/dbraw/zinc/10/02/35/569100235.db2.gz XLYLHOMIVPCXES-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)Nc1cccc(Cl)c1 ZINC000065077569 569100274 /nfs/dbraw/zinc/10/02/74/569100274.db2.gz YJUZUFRJFXHBHZ-GFCCVEGCSA-N 0 0 438.958 3.823 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000065078256 569100538 /nfs/dbraw/zinc/10/05/38/569100538.db2.gz CKUPVYSAELSFOH-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065078010 569100727 /nfs/dbraw/zinc/10/07/27/569100727.db2.gz JTWAWVTYGQGMNX-CQSZACIVSA-N 0 0 448.566 3.711 50 0 IHAARN Cc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065078064 569100866 /nfs/dbraw/zinc/10/08/66/569100866.db2.gz RSPDSXMMTUDJAG-HNNXBMFYSA-N 0 0 432.567 3.645 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000065078200 569100900 /nfs/dbraw/zinc/10/09/00/569100900.db2.gz PRJGOXHWPZJJLZ-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1F ZINC000169773166 569101696 /nfs/dbraw/zinc/10/16/96/569101696.db2.gz QABHAOQKBAXZRX-UHFFFAOYSA-N 0 0 432.293 3.811 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000036403471 569102042 /nfs/dbraw/zinc/10/20/42/569102042.db2.gz FZYMTOXTKACNBW-ZMMAXQRCSA-N 0 0 434.964 3.913 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169777998 569102523 /nfs/dbraw/zinc/10/25/23/569102523.db2.gz JKVKUOFIBCWXSZ-GOSISDBHSA-N 0 0 434.887 3.665 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)cc2nc3n(c(=O)c21)CCCCC3 ZINC000169778366 569102604 /nfs/dbraw/zinc/10/26/04/569102604.db2.gz LKOBHBOFWWIXTQ-UHFFFAOYSA-N 0 0 428.920 3.842 50 0 IHAARN CC(C)c1noc(-c2cn(C3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4)CC3)nn2)n1 ZINC000169777506 569102929 /nfs/dbraw/zinc/10/29/29/569102929.db2.gz YQTCSUQQOFKPFW-AWEZNQCLSA-N 0 0 444.923 3.736 50 0 IHAARN CN(C)c1cccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)c1 ZINC000169777561 569102954 /nfs/dbraw/zinc/10/29/54/569102954.db2.gz HCJRTONNPUIKNT-UHFFFAOYSA-N 0 0 443.511 3.538 50 0 IHAARN O=C(c1cccc2[nH]ccc21)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777573 569103008 /nfs/dbraw/zinc/10/30/08/569103008.db2.gz AWZXSBXHJVVHLB-UHFFFAOYSA-N 0 0 439.479 3.954 50 0 IHAARN O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000169780171 569103036 /nfs/dbraw/zinc/10/30/36/569103036.db2.gz KQGMSZKYPIKAKJ-IBGZPJMESA-N 0 0 436.899 3.880 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)N[C@@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 ZINC000065096703 569103631 /nfs/dbraw/zinc/10/36/31/569103631.db2.gz FTQOEQCWIAWILM-RUZDIDTESA-N 0 0 441.531 3.562 50 0 IHAARN CCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)o1 ZINC000065098643 569104203 /nfs/dbraw/zinc/10/42/03/569104203.db2.gz DXVUJOKUDTXWRJ-UHFFFAOYSA-N 0 0 438.962 3.525 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1F ZINC000207967384 569104228 /nfs/dbraw/zinc/10/42/28/569104228.db2.gz JGDVBKVSQFANKQ-SFHVURJKSA-N 0 0 427.544 3.908 50 0 IHAARN CC(C)OCCCNS(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098117 569104524 /nfs/dbraw/zinc/10/45/24/569104524.db2.gz NFFGAVNJBDBVHH-UHFFFAOYSA-N 0 0 425.507 3.698 50 0 IHAARN CCc1cccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(F)cc4)no3)n2C)c1 ZINC000065099804 569104756 /nfs/dbraw/zinc/10/47/56/569104756.db2.gz OZPIUAHXXJMXNE-UHFFFAOYSA-N 0 0 438.488 3.964 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)Nc4ccc(F)cc4F)n3C)n2)cc1 ZINC000065099901 569104859 /nfs/dbraw/zinc/10/48/59/569104859.db2.gz XQPMOQXJWBAMJZ-UHFFFAOYSA-N 0 0 442.451 3.850 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1 ZINC000065099009 569105043 /nfs/dbraw/zinc/10/50/43/569105043.db2.gz KIFJFDXUMJVQLJ-UHFFFAOYSA-N 0 0 446.554 3.558 50 0 IHAARN Cn1cc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)c(-c2ccccc2)n1 ZINC000065099584 569105289 /nfs/dbraw/zinc/10/52/89/569105289.db2.gz PYHDEQPRDFBQFK-UHFFFAOYSA-N 0 0 440.479 3.892 50 0 IHAARN O=C(c1noc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc21)N1CCCCC1 ZINC000065115243 569106766 /nfs/dbraw/zinc/10/67/66/569106766.db2.gz ZXKPLSLARCHLBP-UHFFFAOYSA-N 0 0 433.917 3.586 50 0 IHAARN CCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc2ccccc21 ZINC000065113185 569108269 /nfs/dbraw/zinc/10/82/69/569108269.db2.gz MYEHLTCDRPLXFR-UHFFFAOYSA-N 0 0 428.895 3.561 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C)c2c1=O ZINC000065113512 569108427 /nfs/dbraw/zinc/10/84/27/569108427.db2.gz NNQVRJNBGWJLPB-UHFFFAOYSA-N 0 0 430.508 3.849 50 0 IHAARN CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O ZINC000065113614 569108482 /nfs/dbraw/zinc/10/84/82/569108482.db2.gz WZAHCVGIRZRYES-UHFFFAOYSA-N 0 0 430.464 3.813 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)C(=O)C3=O)cc2)c(F)c1 ZINC000065130179 569109040 /nfs/dbraw/zinc/10/90/40/569109040.db2.gz WHSSCZPFXUWIQO-UHFFFAOYSA-N 0 0 431.467 3.762 50 0 IHAARN Cc1cc(F)ccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130256 569109175 /nfs/dbraw/zinc/10/91/75/569109175.db2.gz GJSPHZQVWRGJLK-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN CCc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1 ZINC000065131266 569109431 /nfs/dbraw/zinc/10/94/31/569109431.db2.gz FQJJMHWQRLECFK-UHFFFAOYSA-N 0 0 438.553 3.862 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)C1 ZINC000065133104 569109972 /nfs/dbraw/zinc/10/99/72/569109972.db2.gz WLYOGYXQNCPTEX-MRXNPFEDSA-N 0 0 448.976 3.636 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc2c(c1)OCO2 ZINC000065136752 569110312 /nfs/dbraw/zinc/11/03/12/569110312.db2.gz IKGMRBXSDSPXGJ-MRXNPFEDSA-N 0 0 427.476 3.895 50 0 IHAARN CCC(=O)Nc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000065150119 569110980 /nfs/dbraw/zinc/11/09/80/569110980.db2.gz HXPZUQPEQKPDMM-UHFFFAOYSA-N 0 0 439.516 3.655 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c(C)c1 ZINC000065151008 569111573 /nfs/dbraw/zinc/11/15/73/569111573.db2.gz CXFJWXMTNRQQCQ-UHFFFAOYSA-N 0 0 433.537 3.915 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)N1CCCC1)C2 ZINC000065166930 569112572 /nfs/dbraw/zinc/11/25/72/569112572.db2.gz XKQIXUXRJZVZHQ-OAQYLSRUSA-N 0 0 439.943 3.878 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2c3ccccc3CC(=O)N2Cc2ccccc2)c1 ZINC000065170147 569112692 /nfs/dbraw/zinc/11/26/92/569112692.db2.gz QOESCPIWQMNTIL-VWLOTQADSA-N 0 0 430.504 3.646 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1F ZINC000065179121 569113437 /nfs/dbraw/zinc/11/34/37/569113437.db2.gz XEWYFFINEBTNCA-IBGZPJMESA-N 0 0 440.515 3.538 50 0 IHAARN O=C(C1=NN(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCCCCC1 ZINC000065183283 569113864 /nfs/dbraw/zinc/11/38/64/569113864.db2.gz GTIAGXDLHLOKFE-UHFFFAOYSA-N 0 0 431.945 3.850 50 0 IHAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3cc(F)cc(F)c3)cccn12 ZINC000065185313 569114269 /nfs/dbraw/zinc/11/42/69/569114269.db2.gz HQRNJXKOHBZUOV-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)N1CCOCC1 ZINC000065179032 569114655 /nfs/dbraw/zinc/11/46/55/569114655.db2.gz PEORLUUAFVWDRT-SFHVURJKSA-N 0 0 442.943 3.744 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4cccc(Cl)c4)no3)ccc2=O)cc1C ZINC000065197545 569114875 /nfs/dbraw/zinc/11/48/75/569114875.db2.gz CQXAYCJPZKIYBS-UHFFFAOYSA-N 0 0 435.871 3.869 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc(-c3nc(-c4cccc(Cl)c4)no3)ccc2=O)c1C ZINC000065197550 569114879 /nfs/dbraw/zinc/11/48/79/569114879.db2.gz UDOXPSKDOWLZHE-UHFFFAOYSA-N 0 0 435.871 3.869 50 0 IHAARN CCc1ccccc1NC(=O)Cn1nc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000065197569 569114889 /nfs/dbraw/zinc/11/48/89/569114889.db2.gz JYXAMCPZWARIPI-UHFFFAOYSA-N 0 0 435.871 3.815 50 0 IHAARN CCOc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199026 569115088 /nfs/dbraw/zinc/11/50/88/569115088.db2.gz FMCZNVBJVORIEE-UHFFFAOYSA-N 0 0 440.500 3.971 50 0 IHAARN CCOc1ccc(CC(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)cc1 ZINC000065200619 569115160 /nfs/dbraw/zinc/11/51/60/569115160.db2.gz IZLNIRDXGDDZBD-UHFFFAOYSA-N 0 0 442.629 3.665 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(C)cc4Cl)CC3=O)ccc21 ZINC000065195376 569115406 /nfs/dbraw/zinc/11/54/06/569115406.db2.gz CWKOLIOYWAPJJQ-MRXNPFEDSA-N 0 0 425.916 3.939 50 0 IHAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(Cl)s1 ZINC000065202932 569116010 /nfs/dbraw/zinc/11/60/10/569116010.db2.gz ASVZRDMVICACLU-UHFFFAOYSA-N 0 0 430.892 3.530 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201593 569116166 /nfs/dbraw/zinc/11/61/66/569116166.db2.gz FSCXDXDBTFGNDD-UHFFFAOYSA-N 0 0 438.480 3.744 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)cc1 ZINC000065210335 569116341 /nfs/dbraw/zinc/11/63/41/569116341.db2.gz PTWFXFPHFKPHMK-UHFFFAOYSA-N 0 0 430.460 3.557 50 0 IHAARN CCc1nc(-c2cccnc2SCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 ZINC000065211189 569116464 /nfs/dbraw/zinc/11/64/64/569116464.db2.gz ZKXBJJCTDPQSNY-UHFFFAOYSA-N 0 0 437.569 3.752 50 0 IHAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000013115599 569116694 /nfs/dbraw/zinc/11/66/94/569116694.db2.gz UYUDDEFGNRZNAD-OALUTQOASA-N 0 0 435.549 3.969 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccc(SC)cc3)C2)no1 ZINC000065227813 569117516 /nfs/dbraw/zinc/11/75/16/569117516.db2.gz OJKZGTKGBXTZJY-KRWDZBQOSA-N 0 0 437.569 3.949 50 0 IHAARN C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1 ZINC000065228023 569117618 /nfs/dbraw/zinc/11/76/18/569117618.db2.gz QMTGGWRONMFVGN-LPHOPBHVSA-N 0 0 432.528 3.888 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)cc1 ZINC000065227924 569117655 /nfs/dbraw/zinc/11/76/55/569117655.db2.gz MURYKOUTZNICKA-LJQANCHMSA-N 0 0 447.539 3.941 50 0 IHAARN CCCn1ccc2sc(C)c(C(=O)N3CCN(c4cccc(OC)c4)CC3)c2c1=O ZINC000065230198 569118254 /nfs/dbraw/zinc/11/82/54/569118254.db2.gz QFKAJQBWBBNNSN-UHFFFAOYSA-N 0 0 425.554 3.752 50 0 IHAARN CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000065230181 569118268 /nfs/dbraw/zinc/11/82/68/569118268.db2.gz BCCWYQIJEUTVLL-UHFFFAOYSA-N 0 0 425.554 3.752 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(-c5ccc6c(c5)OCO6)n4)ccn3n2)c(C)c1 ZINC000065235774 569119421 /nfs/dbraw/zinc/11/94/21/569119421.db2.gz XCABZXFDHAKVKG-UHFFFAOYSA-N 0 0 441.447 3.607 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@@H]5C)n4)ccn3n2)cc1 ZINC000065235846 569119439 /nfs/dbraw/zinc/11/94/39/569119439.db2.gz UMEBKVITVPVSOT-KRWDZBQOSA-N 0 0 432.528 3.531 50 0 IHAARN C=C1C(N2CCC(NC(=O)CCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239255 569120265 /nfs/dbraw/zinc/12/02/65/569120265.db2.gz WWOXBVKCWTWCPQ-UHFFFAOYSA-N 0 0 431.602 3.739 50 0 IHAARN O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)o1)N1CCN(C2CCCCC2)CC1 ZINC000065246463 569121796 /nfs/dbraw/zinc/12/17/96/569121796.db2.gz WUMKABGGGGIFPS-UHFFFAOYSA-N 0 0 434.562 3.626 50 0 IHAARN O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065246658 569121906 /nfs/dbraw/zinc/12/19/06/569121906.db2.gz QSSBYILFVNZMPS-UHFFFAOYSA-N 0 0 448.932 3.761 50 0 IHAARN CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCc5ccccc5C4)c3)c2)n1 ZINC000065251009 569122188 /nfs/dbraw/zinc/12/21/88/569122188.db2.gz DPQWIMPXJMRRJK-UHFFFAOYSA-N 0 0 428.496 3.813 50 0 IHAARN CCn1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C ZINC000036613307 569123721 /nfs/dbraw/zinc/12/37/21/569123721.db2.gz WTITYQWJNRHQCP-CQSZACIVSA-N 0 0 432.528 3.968 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c3cnn(C)c3n2)cc1 ZINC000036613336 569123852 /nfs/dbraw/zinc/12/38/52/569123852.db2.gz DWBCTHBWLCBORR-AWEZNQCLSA-N 0 0 438.919 3.560 50 0 IHAARN COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613342 569123865 /nfs/dbraw/zinc/12/38/65/569123865.db2.gz BVQWWSQXPYNXHU-OAHLLOKOSA-N 0 0 432.528 3.584 50 0 IHAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN(Cc4cccnc4)CC3)c12 ZINC000036613349 569123876 /nfs/dbraw/zinc/12/38/76/569123876.db2.gz FPFIGEKMUIILLQ-UHFFFAOYSA-N 0 0 440.551 3.605 50 0 IHAARN CCn1cc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 ZINC000036613535 569123963 /nfs/dbraw/zinc/12/39/63/569123963.db2.gz FUOMVBURMASGJC-UHFFFAOYSA-N 0 0 432.528 3.749 50 0 IHAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 ZINC000065258023 569124166 /nfs/dbraw/zinc/12/41/66/569124166.db2.gz FPYSQIFTWQOZIE-UHFFFAOYSA-N 0 0 427.455 3.886 50 0 IHAARN COC(=O)C[C@H](c1ccsc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524730217 569125961 /nfs/dbraw/zinc/12/59/61/569125961.db2.gz ZZLZBXYVDCERQI-LJQANCHMSA-N 0 0 425.506 3.660 50 0 biogenic IHAARN O=C(C[C@@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCc1ccco1 ZINC000524732093 569126755 /nfs/dbraw/zinc/12/67/55/569126755.db2.gz WULYKLKPRXBFRG-MRXNPFEDSA-N 0 0 433.416 3.659 50 0 biogenic IHAARN C=C1C(N2CCCN(C(=O)Nc3cccc(C)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271929 569128872 /nfs/dbraw/zinc/12/88/72/569128872.db2.gz AVDULEUZTHDGFW-UHFFFAOYSA-N 0 0 438.553 3.708 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273658 569129858 /nfs/dbraw/zinc/12/98/58/569129858.db2.gz QAFKDWGKBXQFPC-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)nc2n1 ZINC000036644485 569130221 /nfs/dbraw/zinc/13/02/21/569130221.db2.gz PGKGZNIILBOXLE-UHFFFAOYSA-N 0 0 444.373 3.858 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2cccc(F)c2)CC3)C1 ZINC000065291994 569130629 /nfs/dbraw/zinc/13/06/29/569130629.db2.gz ZMFSLINDQWNWJS-SFHVURJKSA-N 0 0 428.504 3.701 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(F)cc3F)sc12 ZINC000065294073 569131162 /nfs/dbraw/zinc/13/11/62/569131162.db2.gz OKZAZXZQTGOXFM-UHFFFAOYSA-N 0 0 427.480 3.821 50 0 IHAARN CCC(CC)C(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)CC1 ZINC000065296839 569131581 /nfs/dbraw/zinc/13/15/81/569131581.db2.gz BIJYPMXTBRECQV-UHFFFAOYSA-N 0 0 427.574 3.884 50 0 IHAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000065297742 569131886 /nfs/dbraw/zinc/13/18/86/569131886.db2.gz GWYWWTOXHYJBBM-UHFFFAOYSA-N 0 0 437.569 3.629 50 0 IHAARN Cc1ccc(C)c(CN2CCCN(CC(=O)Nc3ccc(C(C)C)cc3)S2(=O)=O)c1 ZINC000065304994 569132957 /nfs/dbraw/zinc/13/29/57/569132957.db2.gz IVDDEVOZCNTEBG-UHFFFAOYSA-N 0 0 429.586 3.818 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1ccccn1 ZINC000065307154 569133486 /nfs/dbraw/zinc/13/34/86/569133486.db2.gz QCTCAFGGFRPABL-QGZVFWFLSA-N 0 0 425.492 3.578 50 0 IHAARN COc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)c1 ZINC000065315600 569134247 /nfs/dbraw/zinc/13/42/47/569134247.db2.gz CUTKHJAEQQLGSO-UHFFFAOYSA-N 0 0 432.524 3.599 50 0 IHAARN CCc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1 ZINC000065318818 569134472 /nfs/dbraw/zinc/13/44/72/569134472.db2.gz LGDFJRVIEKFLCS-UHFFFAOYSA-N 0 0 440.525 3.644 50 0 IHAARN CCOc1c(C)cc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700446 569135343 /nfs/dbraw/zinc/13/53/43/569135343.db2.gz MDQIGIZVHSUILP-HSZRJFAPSA-N 0 0 446.613 3.834 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1Cl ZINC000065319807 569135915 /nfs/dbraw/zinc/13/59/15/569135915.db2.gz OKSJVIXXBIKQDG-UHFFFAOYSA-N 0 0 449.989 3.683 50 0 IHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c12 ZINC000036753003 569137552 /nfs/dbraw/zinc/13/75/52/569137552.db2.gz UXXXQFGVDDGLCD-DEOSSOPVSA-N 0 0 441.447 3.505 50 0 IHAARN C[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000065566798 569139248 /nfs/dbraw/zinc/13/92/48/569139248.db2.gz SHUJBXDGYQITEJ-MRXNPFEDSA-N 0 0 434.448 3.527 50 0 IHAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000065535029 569139496 /nfs/dbraw/zinc/13/94/96/569139496.db2.gz CXXFPYACMOCQSQ-UHFFFAOYSA-N 0 0 439.475 3.667 50 0 IHAARN CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(Cl)cc3)c(=O)n2n1 ZINC000065535073 569139532 /nfs/dbraw/zinc/13/95/32/569139532.db2.gz ZXKKWZUMHHWKGU-UHFFFAOYSA-N 0 0 440.887 3.550 50 0 IHAARN CC(=O)NC1(c2noc(CCc3nc(-c4cc(F)ccc4F)no3)n2)CCCCCC1 ZINC000170595964 569141581 /nfs/dbraw/zinc/14/15/81/569141581.db2.gz PDXLJHFTKNLLKG-UHFFFAOYSA-N 0 0 431.443 3.869 50 0 IHAARN CCCOc1c(Cl)cc(C(=O)Nc2c(OC)cccc2S(C)(=O)=O)cc1OC ZINC000170598551 569142481 /nfs/dbraw/zinc/14/24/81/569142481.db2.gz UHIUSZLLSJDVSA-UHFFFAOYSA-N 0 0 427.906 3.802 50 0 IHAARN O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000170599635 569142641 /nfs/dbraw/zinc/14/26/41/569142641.db2.gz AMRBVQVCGUHJJS-SFHVURJKSA-N 0 0 432.398 3.824 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)ccc1OC ZINC000170600801 569142906 /nfs/dbraw/zinc/14/29/06/569142906.db2.gz MOZZPLTXIZDNDD-AWEZNQCLSA-N 0 0 447.582 3.826 50 0 IHAARN CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)c2ccccc21 ZINC000170602925 569143449 /nfs/dbraw/zinc/14/34/49/569143449.db2.gz WFOHHARRCJNGGJ-GOSISDBHSA-N 0 0 438.505 3.579 50 0 IHAARN CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)OC(C)(C)C)C1 ZINC000170607584 569144210 /nfs/dbraw/zinc/14/42/10/569144210.db2.gz GCUPJYBUWHDRGZ-STQMWFEESA-N 0 0 427.588 3.592 50 0 IHAARN CC(C)CCn1c(=O)c2c(ncn2Cc2c(F)cccc2F)n(-c2ccc(F)cc2)c1=O ZINC000037279677 569145719 /nfs/dbraw/zinc/14/57/19/569145719.db2.gz GKLFEKCHZNUJOC-UHFFFAOYSA-N 0 0 442.441 3.861 50 0 IHAARN COCCn1ccc(NC(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)n1 ZINC000170617001 569146723 /nfs/dbraw/zinc/14/67/23/569146723.db2.gz CNWCMYQNJOOFLW-UHFFFAOYSA-N 0 0 439.701 3.980 50 0 IHAARN O=C(NCCSCc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000009883776 569150112 /nfs/dbraw/zinc/15/01/12/569150112.db2.gz LLUHMSMVOKDVQR-UHFFFAOYSA-N 0 0 441.641 3.990 50 0 IHAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009883868 569150176 /nfs/dbraw/zinc/15/01/76/569150176.db2.gz QSFXGSLHVGVAAP-VQIMIIECSA-N 0 0 436.533 3.738 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000009884260 569150317 /nfs/dbraw/zinc/15/03/17/569150317.db2.gz MBCNGVUKFYNEQK-UHFFFAOYSA-N 0 0 437.477 3.842 50 0 IHAARN O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1cccc(Cl)c1 ZINC000071285530 569150893 /nfs/dbraw/zinc/15/08/93/569150893.db2.gz MVZALTKUBHZWLK-UHFFFAOYSA-N 0 0 436.943 3.995 50 0 IHAARN Cn1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC000009955247 569151147 /nfs/dbraw/zinc/15/11/47/569151147.db2.gz CWESWNAAPHNZAG-UHFFFAOYSA-N 0 0 425.297 3.780 50 0 IHAARN Cc1nn(Cc2ccc(Br)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000009954784 569151196 /nfs/dbraw/zinc/15/11/96/569151196.db2.gz MSAILFHETYVHEV-UHFFFAOYSA-N 0 0 426.380 3.731 50 0 IHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C ZINC000009956358 569151239 /nfs/dbraw/zinc/15/12/39/569151239.db2.gz FMCNMUYZWPNFFI-NRFANRHFSA-N 0 0 433.574 3.579 50 0 IHAARN CCCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009956115 569151257 /nfs/dbraw/zinc/15/12/57/569151257.db2.gz ODGCTXNGURQGDU-UHFFFAOYSA-N 0 0 434.540 3.572 50 0 IHAARN CC(C)(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000010023974 569151395 /nfs/dbraw/zinc/15/13/95/569151395.db2.gz JFAKSZOXTGZJGP-UHFFFAOYSA-N 0 0 425.348 3.664 50 0 IHAARN O=C(CCCSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010027993 569151795 /nfs/dbraw/zinc/15/17/95/569151795.db2.gz GHLZNXXNIAEDSN-UHFFFAOYSA-N 0 0 445.031 3.807 50 0 IHAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)c12 ZINC000010220403 569152947 /nfs/dbraw/zinc/15/29/47/569152947.db2.gz ULSNRKRCKHOBEP-UHFFFAOYSA-N 0 0 449.898 3.574 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCc2ccccc2)CSC3)c(C)c1 ZINC000010220920 569153154 /nfs/dbraw/zinc/15/31/54/569153154.db2.gz RPSSSPSJOOJQKQ-UHFFFAOYSA-N 0 0 434.565 3.923 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216568 569153161 /nfs/dbraw/zinc/15/31/61/569153161.db2.gz VGNJEIUSMQFKSI-UHFFFAOYSA-N 0 0 445.313 3.598 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000010217919 569153360 /nfs/dbraw/zinc/15/33/60/569153360.db2.gz JBGONXHJWULGCR-ICSRJNTNSA-N 0 0 448.610 3.911 50 0 IHAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 ZINC000010218732 569153588 /nfs/dbraw/zinc/15/35/88/569153588.db2.gz QUUQCSMFCPHKBJ-UHFFFAOYSA-N 0 0 428.535 3.916 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nccc(C)n2)cc1=O ZINC000010254969 569153929 /nfs/dbraw/zinc/15/39/29/569153929.db2.gz VBBSMAZLKQDBPP-UHFFFAOYSA-N 0 0 430.917 3.540 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000010255005 569153948 /nfs/dbraw/zinc/15/39/48/569153948.db2.gz GKXARDFPKUXGIZ-UHFFFAOYSA-N 0 0 438.553 3.812 50 0 IHAARN COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2nnc(C)s2)cc1=O ZINC000010254792 569154308 /nfs/dbraw/zinc/15/43/08/569154308.db2.gz RWPIZYKPDNEKLX-UHFFFAOYSA-N 0 0 444.582 3.873 50 0 IHAARN COC(=O)c1sccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000013296533 569154871 /nfs/dbraw/zinc/15/48/71/569154871.db2.gz QOYMUQDQSARDOX-UHFFFAOYSA-N 0 0 443.485 3.534 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ncnc3[nH]cnc31)CCCC2 ZINC000013572738 569155640 /nfs/dbraw/zinc/15/56/40/569155640.db2.gz WRRNDMUDDUHSFC-JTQLQIEISA-N 0 0 431.543 3.589 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ncnc3[nH]cnc31)CCCCC2 ZINC000013572722 569155646 /nfs/dbraw/zinc/15/56/46/569155646.db2.gz SCEKWGDRCLLZDZ-SNVBAGLBSA-N 0 0 431.543 3.589 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(C)c1 ZINC000013696345 569156723 /nfs/dbraw/zinc/15/67/23/569156723.db2.gz LSAYBXQPVLBVRB-UHFFFAOYSA-N 0 0 441.553 3.834 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000014314725 569158466 /nfs/dbraw/zinc/15/84/66/569158466.db2.gz FODLKCSSQGEPHA-UHFFFAOYSA-N 0 0 446.551 3.599 50 0 IHAARN CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014344570 569158685 /nfs/dbraw/zinc/15/86/85/569158685.db2.gz GTWBFABGTZXDIN-UHFFFAOYSA-N 0 0 443.352 3.539 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccc(F)cc1 ZINC000014403781 569158966 /nfs/dbraw/zinc/15/89/66/569158966.db2.gz ZRRCAHWLMNHYHX-QGZVFWFLSA-N 0 0 442.545 3.838 50 0 IHAARN CC(=O)N[C@@H](CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000014529013 569159397 /nfs/dbraw/zinc/15/93/97/569159397.db2.gz JDRQFNJFVVLMEA-ZDUSSCGKSA-N 0 0 434.871 3.611 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000014604383 569159471 /nfs/dbraw/zinc/15/94/71/569159471.db2.gz CJUAFPPFYQXHSW-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000014633365 569159846 /nfs/dbraw/zinc/15/98/46/569159846.db2.gz VEODLXSUZNOANK-NSHDSACASA-N 0 0 430.839 3.979 50 0 IHAARN COc1ccc(-c2nc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)cs2)cc1 ZINC000089642948 569160403 /nfs/dbraw/zinc/16/04/03/569160403.db2.gz CWFAZULDNRFEJI-CQSZACIVSA-N 0 0 439.501 3.504 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000089662324 569160951 /nfs/dbraw/zinc/16/09/51/569160951.db2.gz BLBCPFQBRMRXIS-ICSRJNTNSA-N 0 0 426.517 3.535 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)nc1I ZINC000089775721 569162428 /nfs/dbraw/zinc/16/24/28/569162428.db2.gz HZMLFGIDMYQUNC-UHFFFAOYSA-N 0 0 439.253 3.542 50 0 IHAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(C(=O)c2ccco2)CC1 ZINC000016848685 569164423 /nfs/dbraw/zinc/16/44/23/569164423.db2.gz QABSYGFLVANKFT-UHFFFAOYSA-N 0 0 434.521 3.573 50 0 IHAARN Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(-c2nc3ccccc3s2)n1 ZINC000016851009 569164890 /nfs/dbraw/zinc/16/48/90/569164890.db2.gz PGZJNFCGCCQYRY-UHFFFAOYSA-N 0 0 431.477 3.696 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000089826225 569165160 /nfs/dbraw/zinc/16/51/60/569165160.db2.gz VVPWRWCIUFRNTG-UHFFFAOYSA-N 0 0 433.552 3.970 50 0 IHAARN O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCc2ccccc21 ZINC000089861262 569166215 /nfs/dbraw/zinc/16/62/15/569166215.db2.gz TYJXNDHLLGLDSS-UHFFFAOYSA-N 0 0 433.961 3.516 50 0 IHAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)c1 ZINC000016945000 569166977 /nfs/dbraw/zinc/16/69/77/569166977.db2.gz SYGXBTVRVDXQLL-UHFFFAOYSA-N 0 0 431.539 3.806 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000016953383 569167515 /nfs/dbraw/zinc/16/75/15/569167515.db2.gz XPAPECCLDQJSOT-UHFFFAOYSA-N 0 0 448.504 3.892 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000016960410 569168236 /nfs/dbraw/zinc/16/82/36/569168236.db2.gz IVTBLKVJUJMQAP-UHFFFAOYSA-N 0 0 441.900 3.914 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)c1 ZINC000017011218 569170373 /nfs/dbraw/zinc/17/03/73/569170373.db2.gz NZXCRAOGMBFLCM-UHFFFAOYSA-N 0 0 430.464 3.667 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c3ccccc3[nH]c2c1=O ZINC000017025837 569170963 /nfs/dbraw/zinc/17/09/63/569170963.db2.gz UUBFNFBOAIQONB-UHFFFAOYSA-N 0 0 436.537 3.872 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000017042025 569171608 /nfs/dbraw/zinc/17/16/08/569171608.db2.gz YJOZOYOWOUBJJA-UHFFFAOYSA-N 0 0 439.537 3.742 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000017042047 569171634 /nfs/dbraw/zinc/17/16/34/569171634.db2.gz UYECYIFBNFPZAS-QGZVFWFLSA-N 0 0 425.290 3.672 50 0 IHAARN COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)c1 ZINC000017121488 569174249 /nfs/dbraw/zinc/17/42/49/569174249.db2.gz NLNRLDPSCXLNNV-UHFFFAOYSA-N 0 0 443.550 3.884 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc3c2N1CC3 ZINC000017149731 569174845 /nfs/dbraw/zinc/17/48/45/569174845.db2.gz LHDYZQUOGOIKKN-UHFFFAOYSA-N 0 0 430.835 3.995 50 0 IHAARN O=C(Nc1nc2c(cc(F)cc2F)s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000017170131 569175420 /nfs/dbraw/zinc/17/54/20/569175420.db2.gz DRIGVNDCHPUVIL-LBPRGKRZSA-N 0 0 443.522 3.818 50 0 IHAARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)N1CCN(c2ccccc2)CC1 ZINC000017192178 569175860 /nfs/dbraw/zinc/17/58/60/569175860.db2.gz RGKIFSDPZUOGGK-UHFFFAOYSA-N 0 0 429.549 3.837 50 0 IHAARN Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)cc1 ZINC000000937755 569176287 /nfs/dbraw/zinc/17/62/87/569176287.db2.gz QPFVQQUNSPONBP-UHFFFAOYSA-N 0 0 429.428 3.877 50 0 IHAARN COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000002875729 569177585 /nfs/dbraw/zinc/17/75/85/569177585.db2.gz MRHOSBSQTFLJNL-ZDUSSCGKSA-N 0 0 444.944 3.943 50 0 IHAARN CC12CN(C(=O)c3ccccc3)CC(c3ccccc3)(CN(C(=O)c3ccccc3)C1)C2=O ZINC000003105015 569177653 /nfs/dbraw/zinc/17/76/53/569177653.db2.gz HZLYOPJUDDGFDK-UHFFFAOYSA-N 0 0 438.527 3.812 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000170636938 569178334 /nfs/dbraw/zinc/17/83/34/569178334.db2.gz BGIMDOJRPHIVDF-IUODEOHRSA-N 0 0 446.935 3.907 50 0 IHAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002100650 569179687 /nfs/dbraw/zinc/17/96/87/569179687.db2.gz KOFQMJHFDMHQST-CCQPRUGESA-N 0 0 447.535 3.669 50 0 biogenic IHAARN COc1ccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037360483 569181456 /nfs/dbraw/zinc/18/14/56/569181456.db2.gz LBPNQWCACGSEMC-GOSISDBHSA-N 0 0 434.475 3.803 50 0 IHAARN COc1cccc(-c2nc(NC[C@H]3CCCO3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037375961 569185603 /nfs/dbraw/zinc/18/56/03/569185603.db2.gz WPVLTXLEWKJZDC-GOSISDBHSA-N 0 0 434.475 3.803 50 0 IHAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@H]1CCCO1)nc2-c1cc(F)ccc1F ZINC000037377520 569185735 /nfs/dbraw/zinc/18/57/35/569185735.db2.gz NVZJKGQLOOXIGT-MRXNPFEDSA-N 0 0 436.466 3.993 50 0 IHAARN COC(=O)c1ccc(OC[C@@H](O)COc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000027213828 569186144 /nfs/dbraw/zinc/18/61/44/569186144.db2.gz MDKSQXYCIUJDAL-QGZVFWFLSA-N 0 0 427.478 3.606 50 0 IHAARN CC[C@@H](C)N1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002154329 569187381 /nfs/dbraw/zinc/18/73/81/569187381.db2.gz TWOWLNZKJAGDBM-LYWOYCCESA-N 0 0 447.535 3.669 50 0 biogenic IHAARN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000252506008 569188205 /nfs/dbraw/zinc/18/82/05/569188205.db2.gz VWDALGQZTNHXNE-BZUAXINKSA-N 0 0 425.342 3.989 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000252506991 569188206 /nfs/dbraw/zinc/18/82/06/569188206.db2.gz WEXKBKYARZFHRP-PAXLWEDBSA-N 0 0 433.512 3.876 50 0 IHAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)C(C)C)CC2)n1 ZINC000037378222 569188618 /nfs/dbraw/zinc/18/86/18/569188618.db2.gz ZCAKVAMAQRVFIL-UHFFFAOYSA-N 0 0 438.551 3.910 50 0 IHAARN Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@H]1CCCCN31 ZINC000208133228 569189152 /nfs/dbraw/zinc/18/91/52/569189152.db2.gz HNRZMLRLNGETIV-QFQXNSOFSA-N 0 0 446.551 3.856 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000252518097 569189296 /nfs/dbraw/zinc/18/92/96/569189296.db2.gz ZRFGYEOLMPCITA-LIXBPZJASA-N 0 0 439.343 3.961 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000208356020 569189573 /nfs/dbraw/zinc/18/95/73/569189573.db2.gz BYHZIJRLDQEZPW-QINSGFPZSA-N 0 0 438.553 3.614 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000252550330 569190932 /nfs/dbraw/zinc/19/09/32/569190932.db2.gz SJJPFWCDFGSICB-ONTRVFCTSA-N 0 0 433.512 3.947 50 0 IHAARN Cn1c(SCC(=O)NC2CC2)nnc1-c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000002200144 569191623 /nfs/dbraw/zinc/19/16/23/569191623.db2.gz IYIUREDMHORJMP-UHFFFAOYSA-N 0 0 441.944 3.759 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@H]1/C=C\c1ccccc1 ZINC000252595998 569193180 /nfs/dbraw/zinc/19/31/80/569193180.db2.gz CFGHFDUJLFODEN-DDQACPRESA-N 0 0 444.556 3.772 50 0 IHAARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)n(-c2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000037399287 569194373 /nfs/dbraw/zinc/19/43/73/569194373.db2.gz RBVWEJSDJLFCLC-INIZCTEOSA-N 0 0 433.895 3.683 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000037399775 569194679 /nfs/dbraw/zinc/19/46/79/569194679.db2.gz WLZQVBCNKSOKOF-UHFFFAOYSA-N 0 0 444.509 3.788 50 0 IHAARN COc1nc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)cc2ccccc21 ZINC000170682949 569195478 /nfs/dbraw/zinc/19/54/78/569195478.db2.gz PXRKLPTWLVTWBH-LAUBAEHRSA-N 0 0 429.480 3.631 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccnc1 ZINC000037443836 569197108 /nfs/dbraw/zinc/19/71/08/569197108.db2.gz JPLYDSHEFHNGRG-MIAKESKMSA-N 0 0 431.540 3.541 50 0 IHAARN O=C(NCCc1ccccc1)c1cccc(CN2C(=O)C[C@H](c3ccc(F)cc3)NC2=O)c1 ZINC000037553785 569200341 /nfs/dbraw/zinc/20/03/41/569200341.db2.gz KDEOXPCGVBTWLR-HSZRJFAPSA-N 0 0 445.494 3.981 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000037554464 569200493 /nfs/dbraw/zinc/20/04/93/569200493.db2.gz IRVAUVDXODBZPH-UHFFFAOYSA-N 0 0 438.491 3.808 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccc(F)cc2F)c1=O ZINC000037559359 569200951 /nfs/dbraw/zinc/20/09/51/569200951.db2.gz RQRRPRBUIUHXQP-UHFFFAOYSA-N 0 0 446.404 3.610 50 0 IHAARN COCCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000037601460 569202539 /nfs/dbraw/zinc/20/25/39/569202539.db2.gz MAVGBLGKYCYJPD-UHFFFAOYSA-N 0 0 440.540 3.968 50 0 IHAARN Cc1cccc(Oc2cc(N3CCN(C(=O)COCc4ccccc4)[C@H](C)C3)ncn2)c1 ZINC000037623536 569203325 /nfs/dbraw/zinc/20/33/25/569203325.db2.gz UFXJIRRQHZAGNA-HXUWFJFHSA-N 0 0 432.524 3.831 50 0 IHAARN NC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000195531649 569204233 /nfs/dbraw/zinc/20/42/33/569204233.db2.gz OWILTCXTEWYWNM-RXVVDRJESA-N 0 0 431.330 3.897 50 0 IHAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 ZINC000002231598 569210644 /nfs/dbraw/zinc/21/06/44/569210644.db2.gz NQDWLJXYRCCWIN-SJORKVTESA-N 0 0 437.887 3.740 50 0 IHAARN CC12CN(C(=O)OCc3ccccc3)CC(C)(CN(C(=O)OCc3ccccc3)C1)C2=O ZINC000019862122 569256923 /nfs/dbraw/zinc/25/69/23/569256923.db2.gz WNUYLCFPABQZJJ-UHFFFAOYSA-N 0 0 436.508 3.873 50 0 IHAARN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C(C)=O)[C@@]3(C)C[C@@H](OC(C)=O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000025547880 569257412 /nfs/dbraw/zinc/25/74/12/569257412.db2.gz QMVKBOXOOMXFOM-XRKODAGISA-N 0 0 430.541 3.807 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000253394489 569264470 /nfs/dbraw/zinc/26/44/70/569264470.db2.gz CLEKVIHQXXZSMX-JOCHJYFZSA-N 0 0 427.456 3.974 50 0 IHAARN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c([C@H](C)O)c1 ZINC000253417604 569266557 /nfs/dbraw/zinc/26/65/57/569266557.db2.gz BOXMOUNNWYFUOM-RYUDHWBXSA-N 0 0 444.322 3.690 50 0 IHAARN CCCCNC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002290312 569267821 /nfs/dbraw/zinc/26/78/21/569267821.db2.gz COBJRLIEBCJZIC-UHFFFAOYSA-N 0 0 447.539 3.957 50 0 IHAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@@](C)(CC)C3 ZINC000002290542 569267905 /nfs/dbraw/zinc/26/79/05/569267905.db2.gz JYNWTZOBUVNFLJ-QHCPKHFHSA-N 0 0 439.537 3.677 50 0 IHAARN COCCCCN(C(=O)[C@@H](C)OC[C@H]1CCCCO1)c1ccc(Br)cn1 ZINC000253430870 569268491 /nfs/dbraw/zinc/26/84/91/569268491.db2.gz XWSVILGBEVRMLN-NVXWUHKLSA-N 0 0 429.355 3.578 50 0 IHAARN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000253433128 569269297 /nfs/dbraw/zinc/26/92/97/569269297.db2.gz SLYIYKUKHPONNR-DGCLKSJQSA-N 0 0 428.396 3.940 50 0 IHAARN CCCCCCOc1ccccc1/C=c1\sc2nc(=O)c(-c3ccccc3)nn2c1=O ZINC000002364021 569287845 /nfs/dbraw/zinc/28/78/45/569287845.db2.gz UNUJWDOXZQUQRF-SILNSSARSA-N 0 0 433.533 3.685 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000002369047 569288795 /nfs/dbraw/zinc/28/87/95/569288795.db2.gz OFJDOYJTHNRLHD-UHFFFAOYSA-N 0 0 438.557 3.646 50 0 IHAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000253623749 569289367 /nfs/dbraw/zinc/28/93/67/569289367.db2.gz JMTFYPAHXKIFAX-ZDUSSCGKSA-N 0 0 444.528 3.587 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(COC(=O)C=Cc1ccc3cc(OC)ccc3c1)[nH]c2=O ZINC000008825257 569290943 /nfs/dbraw/zinc/29/09/43/569290943.db2.gz DVVXILPZJXPNMK-ONNFQVAWSA-N 0 0 444.443 3.628 50 0 IHAARN COCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)NC3CCCCCC3)cc2)s1 ZINC000064999725 569292573 /nfs/dbraw/zinc/29/25/73/569292573.db2.gz FAOIIICRICURKA-UHFFFAOYSA-N 0 0 436.599 3.792 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 ZINC000027756070 569296754 /nfs/dbraw/zinc/29/67/54/569296754.db2.gz OPIAWOZBDDPCRR-UHFFFAOYSA-N 0 0 429.350 3.828 50 0 IHAARN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)NCc1nnc2ccccn21 ZINC000009740465 569297879 /nfs/dbraw/zinc/29/78/79/569297879.db2.gz SHBKSPFOEIRNSV-CCEZHUSRSA-N 0 0 434.503 3.971 50 0 IHAARN CCOC(Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3)OCC ZINC000002395572 569298344 /nfs/dbraw/zinc/29/83/44/569298344.db2.gz DZEQQUXIIAFKRG-UHFFFAOYSA-N 0 0 434.945 3.755 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(c4ccccc4)CC2)[C@H]3CCC1 ZINC000055220744 569298632 /nfs/dbraw/zinc/29/86/32/569298632.db2.gz VXNXXHMIKHFYCZ-VWLOTQADSA-N 0 0 428.580 3.992 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002407576 569300331 /nfs/dbraw/zinc/30/03/31/569300331.db2.gz OFXIJHAFXDOPAM-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN COc1ccccc1C(=O)CSc1nnc2c3c4c(sc3nc(N)n12)CCCC4 ZINC000002424782 569302512 /nfs/dbraw/zinc/30/25/12/569302512.db2.gz DUYYLDHTICOEKP-UHFFFAOYSA-N 0 0 425.539 3.784 50 0 IHAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2)CN1Cc1ccc(O)cc1 ZINC000055310389 569303924 /nfs/dbraw/zinc/30/39/24/569303924.db2.gz DZXJBWBIQUHBAB-RDPSFJRHSA-N 0 0 430.504 3.605 50 0 IHAARN COc1ccc(CCNC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1OC ZINC000002450750 569305003 /nfs/dbraw/zinc/30/50/03/569305003.db2.gz AUCGMZRXCHCRLZ-UHFFFAOYSA-N 0 0 434.521 3.930 50 0 IHAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)NC(=O)NCc1ccccc1 ZINC000013027384 569307337 /nfs/dbraw/zinc/30/73/37/569307337.db2.gz PEEKTLORNQPJPT-AYHJJNSGSA-N 0 0 448.610 3.558 50 0 IHAARN COc1cc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc(OC)c1OC ZINC000013037048 569307568 /nfs/dbraw/zinc/30/75/68/569307568.db2.gz WEZDCCXIRMABAC-CQSZACIVSA-N 0 0 427.432 3.730 50 0 IHAARN O=C(COC(=O)c1ccccc1SCC(=O)NCc1ccco1)Nc1ccccc1F ZINC000013038906 569307876 /nfs/dbraw/zinc/30/78/76/569307876.db2.gz VFYNRXSEILONKN-UHFFFAOYSA-N 0 0 442.468 3.623 50 0 IHAARN O=C(/C=C/c1nc2ccccc2s1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000013059292 569308517 /nfs/dbraw/zinc/30/85/17/569308517.db2.gz JIIHGHQNIJNEOE-BQYQJAHWSA-N 0 0 442.294 3.823 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CN(C)Cc2ccccc2Cl)cc(C(=O)OCC)c1 ZINC000013073165 569309109 /nfs/dbraw/zinc/30/91/09/569309109.db2.gz YZSMBMRZGTZNER-UHFFFAOYSA-N 0 0 432.904 3.764 50 0 IHAARN COc1ccc(NC(=O)c2ccc(COC(=O)CCn3c(C)csc3=O)cc2)cc1 ZINC000013112619 569310513 /nfs/dbraw/zinc/31/05/13/569310513.db2.gz RZLAKCUUXUZVDT-UHFFFAOYSA-N 0 0 426.494 3.613 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1C ZINC000013137732 569311588 /nfs/dbraw/zinc/31/15/88/569311588.db2.gz LCHUMDHWJONEGR-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)c1cccc(F)c1 ZINC000013354983 569313508 /nfs/dbraw/zinc/31/35/08/569313508.db2.gz ATCJGRMNGYTNHM-OAHLLOKOSA-N 0 0 433.555 3.842 50 0 IHAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000013359821 569313878 /nfs/dbraw/zinc/31/38/78/569313878.db2.gz SMKKYLXPWZEZNM-UHFFFAOYSA-N 0 0 437.477 3.811 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000013366228 569314339 /nfs/dbraw/zinc/31/43/39/569314339.db2.gz ITZHTAZOWJZJMN-XMMPIXPASA-N 0 0 430.504 3.760 50 0 biogenic IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)n2)cc1OC ZINC000013367139 569314352 /nfs/dbraw/zinc/31/43/52/569314352.db2.gz UUXGBKVPMHDMKS-INIZCTEOSA-N 0 0 440.475 3.744 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccccc4F)C3)n2)cc1OC ZINC000013367168 569314360 /nfs/dbraw/zinc/31/43/60/569314360.db2.gz JGAXUAXJLXPTBM-INIZCTEOSA-N 0 0 440.475 3.744 50 0 IHAARN O=C(c1ccc(NS(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1)N1CCCC1 ZINC000328589982 569316862 /nfs/dbraw/zinc/31/68/62/569316862.db2.gz RFOLDGHHYVJLBA-UHFFFAOYSA-N 0 0 426.460 3.926 50 0 IHAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1OC ZINC000078869533 569319640 /nfs/dbraw/zinc/31/96/40/569319640.db2.gz QPXVLUSNJBXLRA-UHFFFAOYSA-N 0 0 425.506 3.758 50 0 IHAARN CCOc1ncccc1C(=O)Nc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)[nH]2)cc1 ZINC000078878779 569319991 /nfs/dbraw/zinc/31/99/91/569319991.db2.gz ULYRNVYTFKZUQX-UHFFFAOYSA-N 0 0 438.488 3.542 50 0 IHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000078879493 569320025 /nfs/dbraw/zinc/32/00/25/569320025.db2.gz HPMBFDPHFLZFPM-HZPDHXFCSA-N 0 0 442.990 3.722 50 0 IHAARN O=C(CNC(=O)CN1CCCCCc2ccccc21)Nc1ccccc1Br ZINC000078950317 569320499 /nfs/dbraw/zinc/32/04/99/569320499.db2.gz RXLINHLSXLGXSU-UHFFFAOYSA-N 0 0 430.346 3.737 50 0 IHAARN COc1ccc(CN(Cc2cc(=O)oc3cc(OC)ccc23)c2cnn(C)c2)c(OC)c1 ZINC000078970068 569320922 /nfs/dbraw/zinc/32/09/22/569320922.db2.gz LFCXBKHTTRICRH-UHFFFAOYSA-N 0 0 435.480 3.759 50 0 IHAARN CCOC(=O)C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000078989204 569321465 /nfs/dbraw/zinc/32/14/65/569321465.db2.gz HXQMOJBZOPDXFF-KRWDZBQOSA-N 0 0 440.279 3.709 50 0 IHAARN CCN(CCN(C)CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000079021480 569322500 /nfs/dbraw/zinc/32/25/00/569322500.db2.gz PETJEFDQLBJGLX-UHFFFAOYSA-N 0 0 442.503 3.617 50 0 IHAARN COCCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000079023419 569322655 /nfs/dbraw/zinc/32/26/55/569322655.db2.gz VALPNOKWTMXENM-GOSISDBHSA-N 0 0 447.329 3.777 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079044769 569322953 /nfs/dbraw/zinc/32/29/53/569322953.db2.gz FPKFVPUOVVLARO-NSHDSACASA-N 0 0 431.857 3.536 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C2(CCCCC2)C1 ZINC000079048731 569323195 /nfs/dbraw/zinc/32/31/95/569323195.db2.gz WPPVIMOUHSMQIB-UHFFFAOYSA-N 0 0 434.562 3.507 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1cccc(C)c1 ZINC000079112523 569326348 /nfs/dbraw/zinc/32/63/48/569326348.db2.gz NIRJLJPXPWETRQ-OAQYLSRUSA-N 0 0 449.598 3.648 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000019983866 569332235 /nfs/dbraw/zinc/33/22/35/569332235.db2.gz CPBPVALJXJYWHT-UHFFFAOYSA-N 0 0 433.489 3.859 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117300 569335330 /nfs/dbraw/zinc/33/53/30/569335330.db2.gz VVDIYGTZBMMWTD-FCHUYYIVSA-N 0 0 440.565 3.959 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)NC1CCCCC1 ZINC000020130932 569335341 /nfs/dbraw/zinc/33/53/41/569335341.db2.gz YRBLKZALSPEADT-UHFFFAOYSA-N 0 0 445.972 3.933 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)S1(=O)=O ZINC000390831142 569354312 /nfs/dbraw/zinc/35/43/12/569354312.db2.gz PXKIKNHTCORYJM-UHFFFAOYSA-N 0 0 445.610 3.752 50 0 IHAARN O=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)CN21 ZINC000020219128 569356861 /nfs/dbraw/zinc/35/68/61/569356861.db2.gz GXHDKULPZQMFKQ-MRXNPFEDSA-N 0 0 429.446 3.504 50 0 IHAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccco2)C1 ZINC000095116586 569358319 /nfs/dbraw/zinc/35/83/19/569358319.db2.gz WCPLGZGWALSTIE-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccs2)N1CCCN1CCOCC1 ZINC000020308806 569359681 /nfs/dbraw/zinc/35/96/81/569359681.db2.gz RAJQNFSSJKTIBW-LJQANCHMSA-N 0 0 444.940 3.775 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095350286 569361741 /nfs/dbraw/zinc/36/17/41/569361741.db2.gz ZPNVMSGTQVRBOI-LBPRGKRZSA-N 0 0 435.274 3.524 50 0 IHAARN O=C([O-])c1c(C[NH2+]CCN2CCOCC2)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000020379521 569362530 /nfs/dbraw/zinc/36/25/30/569362530.db2.gz JVXDYGCBFUNDNY-UHFFFAOYSA-N 0 0 445.922 3.602 50 0 IHAARN CCC(CC)[C@@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 ZINC000095401835 569363906 /nfs/dbraw/zinc/36/39/06/569363906.db2.gz GXKOOSQPRDQQTD-VWLOTQADSA-N 0 0 434.584 3.838 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@@](C)(O)[C@@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000095407054 569364717 /nfs/dbraw/zinc/36/47/17/569364717.db2.gz PXYJHCBYBUCPGB-OWJWWREXSA-N 0 0 439.464 3.959 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC000095423964 569365690 /nfs/dbraw/zinc/36/56/90/569365690.db2.gz DVICZQUJNXXGCL-LHSJRXKWSA-N 0 0 427.472 3.810 50 0 IHAARN CC(C)(C)[C@H](NCc1csc(COc2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 ZINC000095432573 569366448 /nfs/dbraw/zinc/36/64/48/569366448.db2.gz PYXBROMJUONURA-MRXNPFEDSA-N 0 0 425.518 3.767 50 0 IHAARN FC(F)(F)c1ccc(I)c(NCCCOC[C@H]2CCCO2)n1 ZINC000095443268 569366801 /nfs/dbraw/zinc/36/68/01/569366801.db2.gz ZQMHNMWCBDRECQ-SNVBAGLBSA-N 0 0 430.208 3.703 50 0 IHAARN O=S(=O)(NCc1ccccc1-n1ccnc1)c1c(Cl)cc(F)cc1Br ZINC000095453301 569368040 /nfs/dbraw/zinc/36/80/40/569368040.db2.gz XOGWIMHYRBBQGF-UHFFFAOYSA-N 0 0 444.713 3.906 50 0 IHAARN Nc1c(Cl)cc(S(=O)(=O)NCCSCc2ccnc(Cl)c2)cc1Cl ZINC000095458397 569369183 /nfs/dbraw/zinc/36/91/83/569369183.db2.gz WBMGWQVQXPZQIS-UHFFFAOYSA-N 0 0 426.778 3.836 50 0 IHAARN COc1cc2ncn(CCCC(=O)O[C@@H](C)c3nc4ccccc4o3)c(=O)c2cc1OC ZINC000095462440 569370141 /nfs/dbraw/zinc/37/01/41/569370141.db2.gz FDXYABYHEHJZRU-AWEZNQCLSA-N 0 0 437.452 3.640 50 0 IHAARN O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(-c2ccc(Br)s2)[nH]n1 ZINC000095475456 569372720 /nfs/dbraw/zinc/37/27/20/569372720.db2.gz ISTQUCYMGIHCBY-UHFFFAOYSA-N 0 0 429.303 3.793 50 0 IHAARN O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095476543 569373027 /nfs/dbraw/zinc/37/30/27/569373027.db2.gz VOWNFMPEBMBRON-GOSISDBHSA-N 0 0 449.946 3.783 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc2c1OCCCO2 ZINC000095479006 569373706 /nfs/dbraw/zinc/37/37/06/569373706.db2.gz YRGLOCQVSMKWEL-UHFFFAOYSA-N 0 0 447.447 3.886 50 0 IHAARN COc1ccc(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000095480728 569373957 /nfs/dbraw/zinc/37/39/57/569373957.db2.gz BEXWLJHQHHUACB-BJKOFHAPSA-N 0 0 428.488 3.605 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2ccccc2Cl)S1 ZINC000020896175 569375157 /nfs/dbraw/zinc/37/51/57/569375157.db2.gz GMALZIDNVMKPKB-LJQANCHMSA-N 0 0 433.917 3.799 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 ZINC000095945201 569375828 /nfs/dbraw/zinc/37/58/28/569375828.db2.gz WBCLMLNSIWMCRH-KRWDZBQOSA-N 0 0 439.331 3.577 50 0 IHAARN CC(C)c1noc(CCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000095988881 569378241 /nfs/dbraw/zinc/37/82/41/569378241.db2.gz VSDPUOHJGSPKHG-LIRRHRJNSA-N 0 0 436.915 3.642 50 0 IHAARN COc1cc(OC)c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000096008121 569379577 /nfs/dbraw/zinc/37/95/77/569379577.db2.gz JBUFSQLIDDPYTG-LJQANCHMSA-N 0 0 425.403 3.945 50 0 IHAARN O=C1CCCN1C[C@@H]1CCCCN1Cc1ncc(Br)cc1Br ZINC000096013598 569380370 /nfs/dbraw/zinc/38/03/70/569380370.db2.gz SCTIALPHHZMJMV-ZDUSSCGKSA-N 0 0 431.172 3.584 50 0 IHAARN O=C(c1ccc(Br)o1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096964 569381296 /nfs/dbraw/zinc/38/12/96/569381296.db2.gz FVTPVQUXENKMOA-UHFFFAOYSA-N 0 0 430.096 3.883 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3Cc3nc(C)no3)n(C)n2)c1 ZINC000096097072 569381383 /nfs/dbraw/zinc/38/13/83/569381383.db2.gz WQIDKHPVMSTVAF-UHFFFAOYSA-N 0 0 433.468 3.639 50 0 IHAARN COC(=O)C[C@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096115169 569383187 /nfs/dbraw/zinc/38/31/87/569383187.db2.gz MEKDSOQZHJJKCH-LJQANCHMSA-N 0 0 438.476 3.979 50 0 biogenic IHAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cc(F)c(F)c(F)c2)CCO1 ZINC000096116738 569383801 /nfs/dbraw/zinc/38/38/01/569383801.db2.gz IOSIRUUPLUAGQV-QFYYESIMSA-N 0 0 427.448 3.911 50 0 IHAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117769 569384240 /nfs/dbraw/zinc/38/42/40/569384240.db2.gz HFWUDNXEXUELCY-KPZWWZAWSA-N 0 0 433.530 3.511 50 0 IHAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1cc3c(c(Cl)c1)OCO3)SCC(=O)N2 ZINC000096118339 569384457 /nfs/dbraw/zinc/38/44/57/569384457.db2.gz IEZWZHNIAUIPHV-INIZCTEOSA-N 0 0 439.946 3.814 50 0 IHAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000096121829 569385162 /nfs/dbraw/zinc/38/51/62/569385162.db2.gz IXOJOOPUZNMMDZ-UHFFFAOYSA-N 0 0 427.444 3.793 50 0 IHAARN O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1Br ZINC000096121683 569385184 /nfs/dbraw/zinc/38/51/84/569385184.db2.gz JMWGCRYADWSJAE-UHFFFAOYSA-N 0 0 447.358 3.564 50 0 IHAARN O=C(/C=C\c1c(Cl)nc2ccccn21)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000096166215 569386054 /nfs/dbraw/zinc/38/60/54/569386054.db2.gz DBPZQZJEDJDMCK-HJWRWDBZSA-N 0 0 426.879 3.561 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)c(C)c1Cl ZINC000096231560 569387562 /nfs/dbraw/zinc/38/75/62/569387562.db2.gz DRCGFAZFYAKKCJ-UHFFFAOYSA-N 0 0 427.917 3.928 50 0 IHAARN COc1ccc2[nH]cc([C@@H](CCc3ccccc3)CC(=O)NCCN3CCOCC3)c2c1 ZINC000096275221 569388258 /nfs/dbraw/zinc/38/82/58/569388258.db2.gz SDRYBYGAPHQUPF-NRFANRHFSA-N 0 0 435.568 3.731 50 0 IHAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1F)NCCN1CCOCC1 ZINC000096276844 569388684 /nfs/dbraw/zinc/38/86/84/569388684.db2.gz CQAFOMPAHKMDHH-SFHVURJKSA-N 0 0 429.923 3.931 50 0 IHAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)[C@]3(Cl)C[C@H]3F)c2)n1 ZINC000096278464 569389118 /nfs/dbraw/zinc/38/91/18/569389118.db2.gz XOGFVFXDVWRDSJ-UTKZUKDTSA-N 0 0 448.857 3.757 50 0 IHAARN COCC(=O)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)C(C)C ZINC000096289462 569390647 /nfs/dbraw/zinc/39/06/47/569390647.db2.gz GFUPZVOOWSATTQ-UHFFFAOYSA-N 0 0 425.934 3.800 50 0 IHAARN CC[C@@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COCc1ccccc1 ZINC000096293594 569391692 /nfs/dbraw/zinc/39/16/92/569391692.db2.gz QXUSUXVWRKZYEJ-QGZVFWFLSA-N 0 0 437.496 3.852 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317196 569393149 /nfs/dbraw/zinc/39/31/49/569393149.db2.gz UIYZFSCWHKXYHW-UHFFFAOYSA-N 0 0 430.618 3.669 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccccc3Cl)c2=O)cc1 ZINC000096318272 569393850 /nfs/dbraw/zinc/39/38/50/569393850.db2.gz UHSMIKLKXDOKNQ-UHFFFAOYSA-N 0 0 449.894 3.762 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)NCCc5ccccc5)n4ccn3n2)c1 ZINC000096322410 569394623 /nfs/dbraw/zinc/39/46/23/569394623.db2.gz UYCXZJQGBOBTFG-UHFFFAOYSA-N 0 0 438.535 3.952 50 0 IHAARN CC(C)(C)NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000096324477 569396035 /nfs/dbraw/zinc/39/60/35/569396035.db2.gz IJWURVWHUFVBIZ-UHFFFAOYSA-N 0 0 440.544 3.948 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2 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O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000096908289 569402538 /nfs/dbraw/zinc/40/25/38/569402538.db2.gz XWDPATKUTLKDJN-UHFFFAOYSA-N 0 0 432.593 3.730 50 0 IHAARN Cc1cc(-n2c(C)cc(/C=C\C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)no1 ZINC000096943603 569402614 /nfs/dbraw/zinc/40/26/14/569402614.db2.gz OPBPBLZVRMCIHB-HCZHMGAMSA-N 0 0 440.569 3.655 50 0 IHAARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000097014164 569402848 /nfs/dbraw/zinc/40/28/48/569402848.db2.gz LIHRSRRRJLQUKY-GFCCVEGCSA-N 0 0 432.427 3.971 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097077595 569402968 /nfs/dbraw/zinc/40/29/68/569402968.db2.gz HSBHOAKJLWMKNX-SFHVURJKSA-N 0 0 434.521 3.816 50 0 IHAARN O=C(NC1CCCCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000002464784 569403843 /nfs/dbraw/zinc/40/38/43/569403843.db2.gz VTHDMBXGVMTZBH-UHFFFAOYSA-N 0 0 445.585 3.545 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CSC3)cc1 ZINC000002474927 569404401 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3.819 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)no1 ZINC000057416967 569434296 /nfs/dbraw/zinc/43/42/96/569434296.db2.gz VGQMHYGJENXWPR-UHFFFAOYSA-N 0 0 430.486 3.673 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2nc1SCC(=O)N1CCC(C)CC1 ZINC000057425576 569434394 /nfs/dbraw/zinc/43/43/94/569434394.db2.gz JCYPIVCBCVGVPU-UHFFFAOYSA-N 0 0 443.594 3.866 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O ZINC000057427886 569434839 /nfs/dbraw/zinc/43/48/39/569434839.db2.gz CWSUYOGJMPQLSU-UHFFFAOYSA-N 0 0 439.924 3.874 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)Nc1cccc(Cl)c1 ZINC000057429027 569434974 /nfs/dbraw/zinc/43/49/74/569434974.db2.gz ILBQHAWDLDGSQV-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)c1C ZINC000057429078 569435036 /nfs/dbraw/zinc/43/50/36/569435036.db2.gz JUUNAPGCUUKHTP-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1 ZINC000003009289 569435284 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CCCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000003363241 569448024 /nfs/dbraw/zinc/44/80/24/569448024.db2.gz MPZVYSDWLNWKIS-UHFFFAOYSA-N 0 0 429.311 3.628 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NC[C@@H]1CCCO1 ZINC000003367698 569448194 /nfs/dbraw/zinc/44/81/94/569448194.db2.gz JFDKXSTUOJUVIY-HNNXBMFYSA-N 0 0 447.626 3.839 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)o2)cc1OC ZINC000003369008 569448275 /nfs/dbraw/zinc/44/82/75/569448275.db2.gz JFOZOLIZGMZHHE-AWEZNQCLSA-N 0 0 425.510 3.819 50 0 IHAARN Cc1ccnc(NC(=O)C2CCN(Cn3c(=O)scc3-c3ccc(F)cc3)CC2)c1 ZINC000058131956 569448358 /nfs/dbraw/zinc/44/83/58/569448358.db2.gz AZVUJJZAMLJATL-UHFFFAOYSA-N 0 0 426.517 3.728 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(F)cc1F ZINC000030821048 569448970 /nfs/dbraw/zinc/44/89/70/569448970.db2.gz ZELURZXOARDISH-UHFFFAOYSA-N 0 0 430.201 3.783 50 0 IHAARN COc1ccccc1NC(=O)Cc1nc(CSc2nnnn2-c2ccccc2)cs1 ZINC000003388723 569449102 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50 0 IHAARN Cc1c(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)sc2nc3n(c(=O)c12)CCCCC3 ZINC000031505665 569456620 /nfs/dbraw/zinc/45/66/20/569456620.db2.gz RSGWPGOBKOUKGP-OAHLLOKOSA-N 0 0 448.552 3.513 50 0 IHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000031592799 569456809 /nfs/dbraw/zinc/45/68/09/569456809.db2.gz OJXWPMSHWQCQSK-UHFFFAOYSA-N 0 0 438.544 3.832 50 0 IHAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC5CCCCC5)c4=O)c3cc2CO1 ZINC000032072658 569459310 /nfs/dbraw/zinc/45/93/10/569459310.db2.gz IJWFTEWUVYXUPH-HSZRJFAPSA-N 0 0 440.569 3.697 50 0 IHAARN COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(NC(C)=O)cc4)ccc3c2=O)c1 ZINC000032096692 569459901 /nfs/dbraw/zinc/45/99/01/569459901.db2.gz AHIMRKMSSGQKET-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)ncn(-c2cccc(Cl)c2)c3=O)cc1OC ZINC000032101404 569460083 /nfs/dbraw/zinc/46/00/83/569460083.db2.gz PEHGJYUOSXXYMM-UHFFFAOYSA-N 0 0 449.894 3.986 50 0 IHAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(Cl)cc1Cl ZINC000032193222 569460712 /nfs/dbraw/zinc/46/07/12/569460712.db2.gz LXJKVDQEBLPDEP-LBPRGKRZSA-N 0 0 430.357 3.607 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000032412605 569461557 /nfs/dbraw/zinc/46/15/57/569461557.db2.gz NOUYYPMJOSVARY-INIZCTEOSA-N 0 0 433.541 3.716 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000032421235 569461649 /nfs/dbraw/zinc/46/16/49/569461649.db2.gz BSGKNGSUSNTRQB-UHFFFAOYSA-N 0 0 448.563 3.825 50 0 IHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004276606 569461685 /nfs/dbraw/zinc/46/16/85/569461685.db2.gz HSENALUPARAQJF-JTQPAYLFSA-N 0 0 426.594 3.716 50 0 IHAARN CC(C)(C)c1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000008096325 569462289 /nfs/dbraw/zinc/46/22/89/569462289.db2.gz FDSUESMJCPJWJR-UHFFFAOYSA-N 0 0 428.598 3.591 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)cc1C ZINC000038487214 569462830 /nfs/dbraw/zinc/46/28/30/569462830.db2.gz GOKKLAMXPCEWGH-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN CC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2CSc2ncccn2)cc1 ZINC000038489569 569463062 /nfs/dbraw/zinc/46/30/62/569463062.db2.gz OFWMZDYLGXFBLV-UHFFFAOYSA-N 0 0 430.493 3.805 50 0 IHAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2nsnc2c1 ZINC000038565183 569464083 /nfs/dbraw/zinc/46/40/83/569464083.db2.gz ISCRQJLPZCOMIP-GOSISDBHSA-N 0 0 447.538 3.837 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)N[C@H]1CCc2ccccc21 ZINC000067208682 569464772 /nfs/dbraw/zinc/46/47/72/569464772.db2.gz XTVISNMUXPZQBB-QFIPXVFZSA-N 0 0 435.487 3.515 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)N[C@@H]1CCc2ccccc21 ZINC000067208678 569464779 /nfs/dbraw/zinc/46/47/79/569464779.db2.gz XTVISNMUXPZQBB-JOCHJYFZSA-N 0 0 435.487 3.515 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2C)c1=O ZINC000067218390 569464980 /nfs/dbraw/zinc/46/49/80/569464980.db2.gz NNJQLIJPCKYQHF-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1Cl ZINC000067226065 569465243 /nfs/dbraw/zinc/46/52/43/569465243.db2.gz PFUVWZUGGHPKEM-GFCCVEGCSA-N 0 0 431.949 3.690 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2c3c(-c4ccccc4)cn(C)c3c(=O)n(C)c2=O)cc1 ZINC000067235402 569465317 /nfs/dbraw/zinc/46/53/17/569465317.db2.gz ZOABJQXPUJHFBH-UHFFFAOYSA-N 0 0 444.535 3.687 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237111 569465483 /nfs/dbraw/zinc/46/54/83/569465483.db2.gz DJKIUJWUVCOVMI-UHFFFAOYSA-N 0 0 436.512 3.878 50 0 IHAARN Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238143 569465570 /nfs/dbraw/zinc/46/55/70/569465570.db2.gz MWJAYJXPHYIKIE-UHFFFAOYSA-N 0 0 426.586 3.920 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)cc1 ZINC000067238709 569465615 /nfs/dbraw/zinc/46/56/15/569465615.db2.gz DSBJACXGHKWMIS-AWEZNQCLSA-N 0 0 442.541 3.912 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000067239094 569465617 /nfs/dbraw/zinc/46/56/17/569465617.db2.gz MAPTXHYAGFSMGB-ZDUSSCGKSA-N 0 0 428.514 3.521 50 0 IHAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OCC)c3)no2)c1=O ZINC000038653104 569465722 /nfs/dbraw/zinc/46/57/22/569465722.db2.gz SBXTVMGIZBDZBQ-UHFFFAOYSA-N 0 0 434.496 3.850 50 0 IHAARN Cc1cc(C)n(-c2cc(NCCNC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc(C)n2)n1 ZINC000038670401 569466428 /nfs/dbraw/zinc/46/64/28/569466428.db2.gz YRKFROJZRLLZGX-UHFFFAOYSA-N 0 0 442.951 3.627 50 0 IHAARN COc1ccc(-c2cc3c(N4CCC(C(=O)N5CCCCC5)CC4)nccn3n2)cc1OC ZINC000067264203 569466732 /nfs/dbraw/zinc/46/67/32/569466732.db2.gz NFCTYZBFAAOEJE-UHFFFAOYSA-N 0 0 449.555 3.642 50 0 IHAARN COc1ccc(-c2cc3c(N4CCN(c5ccccc5F)CC4)nccn3n2)cc1OC ZINC000067285351 569466770 /nfs/dbraw/zinc/46/67/70/569466770.db2.gz RRFBHTGTSZTPAQ-UHFFFAOYSA-N 0 0 433.487 3.879 50 0 IHAARN Fc1ccc(-c2cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000067284999 569466825 /nfs/dbraw/zinc/46/68/25/569466825.db2.gz SLXJUMVUZACDSF-UHFFFAOYSA-N 0 0 431.471 3.586 50 0 IHAARN CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 ZINC000067299692 569468140 /nfs/dbraw/zinc/46/81/40/569468140.db2.gz HAWSEJDYICHZOB-UHFFFAOYSA-N 0 0 436.537 3.645 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038725766 569468305 /nfs/dbraw/zinc/46/83/05/569468305.db2.gz OZOJOQYQQPPVJS-QZTJIDSGSA-N 0 0 433.335 3.847 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000067301608 569468313 /nfs/dbraw/zinc/46/83/13/569468313.db2.gz DLQKSBAAOOTZJU-UHFFFAOYSA-N 0 0 439.943 3.971 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 ZINC000067319713 569468551 /nfs/dbraw/zinc/46/85/51/569468551.db2.gz MPJOISFSHUOVPM-OAHLLOKOSA-N 0 0 428.558 3.667 50 0 IHAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322815 569468719 /nfs/dbraw/zinc/46/87/19/569468719.db2.gz BAHVPQZILCAFFZ-UHFFFAOYSA-N 0 0 448.266 3.513 50 0 IHAARN CCCOc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 ZINC000067334577 569468844 /nfs/dbraw/zinc/46/88/44/569468844.db2.gz XUYTZDYZBXIVRZ-UHFFFAOYSA-N 0 0 448.523 3.824 50 0 IHAARN CCCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2c(C)cc(C)cc2C)c1=O ZINC000008593377 569469307 /nfs/dbraw/zinc/46/93/07/569469307.db2.gz VVWFOGXDRJAUCE-UHFFFAOYSA-N 0 0 435.568 3.833 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008634693 569469532 /nfs/dbraw/zinc/46/95/32/569469532.db2.gz CFYFEYGDHLUKDW-HFJWLAOPSA-N 0 0 427.504 3.998 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)N3CCC(C)CC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000008661563 569469835 /nfs/dbraw/zinc/46/98/35/569469835.db2.gz VTBRXINQVOMKJO-INIZCTEOSA-N 0 0 429.611 3.679 50 0 IHAARN Cn1c(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)nnc1-c1ccncc1 ZINC000008704696 569470274 /nfs/dbraw/zinc/47/02/74/569470274.db2.gz AGBCNMUISVPNMX-UHFFFAOYSA-N 0 0 429.571 3.576 50 0 IHAARN CCOc1ccc2[nH]c(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)nc2c1 ZINC000008719812 569471461 /nfs/dbraw/zinc/47/14/61/569471461.db2.gz NKZLTRXBRZKNAJ-UHFFFAOYSA-N 0 0 427.526 3.656 50 0 IHAARN COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 ZINC000008723697 569471904 /nfs/dbraw/zinc/47/19/04/569471904.db2.gz ODSFLUYBWVYFPU-SUMWQHHRSA-N 0 0 443.569 3.517 50 0 IHAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008752977 569473622 /nfs/dbraw/zinc/47/36/22/569473622.db2.gz PIUJBBWUTFICLA-ZDUSSCGKSA-N 0 0 446.536 3.980 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2ccc(F)cc2)s1 ZINC000008753059 569473633 /nfs/dbraw/zinc/47/36/33/569473633.db2.gz FWKXVOLZDPNKHZ-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008757367 569474160 /nfs/dbraw/zinc/47/41/60/569474160.db2.gz LPBZMSWRZHLHHI-QGZVFWFLSA-N 0 0 432.476 3.794 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NC[C@@H](O)COCc3ccco3)c2oc1-c1ccccc1 ZINC000008764841 569474675 /nfs/dbraw/zinc/47/46/75/569474675.db2.gz DDRICLUXLZCFSG-GOSISDBHSA-N 0 0 433.460 3.669 50 0 biogenic IHAARN COc1ccc(-c2coc3cc(OCC(=O)NC[C@H](O)c4ccccc4)ccc3c2=O)cc1 ZINC000008764933 569474677 /nfs/dbraw/zinc/47/46/77/569474677.db2.gz QMHQFGDTVXGHDM-QHCPKHFHSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008767864 569474926 /nfs/dbraw/zinc/47/49/26/569474926.db2.gz OMWDFFICVXJSEL-GOSISDBHSA-N 0 0 442.364 3.897 50 0 IHAARN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000008768378 569474958 /nfs/dbraw/zinc/47/49/58/569474958.db2.gz LAGDOEWDLMSGQX-GOSISDBHSA-N 0 0 435.299 3.523 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008774280 569475315 /nfs/dbraw/zinc/47/53/15/569475315.db2.gz XABQWTMQBWAVDW-KRWDZBQOSA-N 0 0 449.985 3.761 50 0 IHAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008825285 569477323 /nfs/dbraw/zinc/47/73/23/569477323.db2.gz GGLIIAMSIGNDFG-OAHLLOKOSA-N 0 0 439.821 3.851 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000008825359 569477343 /nfs/dbraw/zinc/47/73/43/569477343.db2.gz FZHBRENYVYTLFP-QUGAMOGWSA-N 0 0 448.519 3.960 50 0 IHAARN CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008828069 569477776 /nfs/dbraw/zinc/47/77/76/569477776.db2.gz ROLXUASDTQVFEP-ROUUACIJSA-N 0 0 440.443 3.716 50 0 IHAARN CC(C)CCN1c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2CCC1=O ZINC000008840932 569478436 /nfs/dbraw/zinc/47/84/36/569478436.db2.gz FMSGQHPAUJIHNM-UHFFFAOYSA-N 0 0 430.526 3.584 50 0 IHAARN COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Br)cc1 ZINC000008843870 569478535 /nfs/dbraw/zinc/47/85/35/569478535.db2.gz JYAXWYFKXXMDHI-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1CCO ZINC000008845658 569478805 /nfs/dbraw/zinc/47/88/05/569478805.db2.gz DPKDVOXJQCSEAE-RUZDIDTESA-N 0 0 441.487 3.899 50 0 IHAARN Oc1ccc(Nc2nc3nonc3nc2Nc2ccccc2I)cc1 ZINC000008854745 569479629 /nfs/dbraw/zinc/47/96/29/569479629.db2.gz WMWINBMRHZGQTL-UHFFFAOYSA-N 0 0 446.208 3.810 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)c(C)c1 ZINC000008862515 569480231 /nfs/dbraw/zinc/48/02/31/569480231.db2.gz PATYYKAKIRGABY-HXUWFJFHSA-N 0 0 429.520 3.873 50 0 IHAARN CCOc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000008871041 569480733 /nfs/dbraw/zinc/48/07/33/569480733.db2.gz UHOZVIJLFAYCHC-QGZVFWFLSA-N 0 0 432.480 3.890 50 0 IHAARN COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCOCC4)nn3)s2)cc1 ZINC000008875796 569481102 /nfs/dbraw/zinc/48/11/02/569481102.db2.gz RICNKIDZRVPPJP-UHFFFAOYSA-N 0 0 442.566 3.535 50 0 IHAARN CC(C)C(=O)N1c2ccccc2[C@]2(c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)C1=O ZINC000008878032 569481248 /nfs/dbraw/zinc/48/12/48/569481248.db2.gz QJSDQZVKVDCCOI-SANMLTNESA-N 0 0 429.520 3.981 50 0 biogenic IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000008879029 569481327 /nfs/dbraw/zinc/48/13/27/569481327.db2.gz KRPJYRWTTXHFDH-UHFFFAOYSA-N 0 0 437.809 3.698 50 0 IHAARN CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000008880800 569481470 /nfs/dbraw/zinc/48/14/70/569481470.db2.gz KQAFOUYZHMJERS-UHFFFAOYSA-N 0 0 430.570 3.922 50 0 IHAARN C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000039476328 569481656 /nfs/dbraw/zinc/48/16/56/569481656.db2.gz XDRUDNJICZGYPJ-LBPRGKRZSA-N 0 0 449.290 3.681 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NCc3ccco3)[C@H]2c2cccs2)cc1 ZINC000039964459 569482165 /nfs/dbraw/zinc/48/21/65/569482165.db2.gz GVRXCQLQDWOHFS-AVRDEDQJSA-N 0 0 438.505 3.603 50 0 IHAARN O=C(NCCc1nnc2ccccn21)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000039981902 569482237 /nfs/dbraw/zinc/48/22/37/569482237.db2.gz UFOZGDWKOHRZGB-UHFFFAOYSA-N 0 0 428.521 3.870 50 0 IHAARN CN(Cc1ccco1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000039982443 569482270 /nfs/dbraw/zinc/48/22/70/569482270.db2.gz SMWWMWGXTYRXLP-UHFFFAOYSA-N 0 0 431.949 3.865 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000040033887 569483138 /nfs/dbraw/zinc/48/31/38/569483138.db2.gz VWGUMXAXXUIHOB-LJQANCHMSA-N 0 0 429.929 3.622 50 0 IHAARN O=C(OCc1cccs1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000040034703 569483283 /nfs/dbraw/zinc/48/32/83/569483283.db2.gz INBSCROBWCUMDZ-MRXNPFEDSA-N 0 0 444.372 3.797 50 0 IHAARN O=C(Nc1ccccn1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000040040363 569483452 /nfs/dbraw/zinc/48/34/52/569483452.db2.gz QYPQDJKIGDYPBK-JOCHJYFZSA-N 0 0 431.517 3.763 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)COc1cccc(C(C)(C)C)c1 ZINC000040049346 569483864 /nfs/dbraw/zinc/48/38/64/569483864.db2.gz RVRQQEFJOGLBRT-UHFFFAOYSA-N 0 0 432.586 3.507 50 0 IHAARN CCCN(C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000040050859 569484294 /nfs/dbraw/zinc/48/42/94/569484294.db2.gz GKFODMLHNWIEDT-OAQYLSRUSA-N 0 0 437.565 3.638 50 0 IHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000040052479 569484566 /nfs/dbraw/zinc/48/45/66/569484566.db2.gz SXTAHHAIYTWAFR-SFHVURJKSA-N 0 0 428.439 3.821 50 0 IHAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1nnnn1C1CC1 ZINC000040057282 569484631 /nfs/dbraw/zinc/48/46/31/569484631.db2.gz RXBGIACCZBKZOM-UHFFFAOYSA-N 0 0 430.588 3.814 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1Cl ZINC000008912622 569485045 /nfs/dbraw/zinc/48/50/45/569485045.db2.gz BHQJEKGQLYIQAR-ZDUSSCGKSA-N 0 0 447.948 3.855 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3cccc(C)c3)ccc1=O)CCCC2 ZINC000008917452 569486060 /nfs/dbraw/zinc/48/60/60/569486060.db2.gz TVLDAAYTOZCSMD-UHFFFAOYSA-N 0 0 437.521 3.910 50 0 IHAARN Cc1cc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1-n1cnnn1 ZINC000040079874 569486378 /nfs/dbraw/zinc/48/63/78/569486378.db2.gz NDZLOKFKSSFQEK-UHFFFAOYSA-N 0 0 449.518 3.813 50 0 IHAARN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000040094357 569487509 /nfs/dbraw/zinc/48/75/09/569487509.db2.gz NPGSMRSCGDLTRV-HXUWFJFHSA-N 0 0 437.496 3.845 50 0 IHAARN CC1=CC=CN2C(=O)[C@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)N=C12 ZINC000008931998 569487612 /nfs/dbraw/zinc/48/76/12/569487612.db2.gz QMTXBKXRPPYIEJ-QFIPXVFZSA-N 0 0 436.309 3.832 50 0 IHAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000008933694 569487864 /nfs/dbraw/zinc/48/78/64/569487864.db2.gz AUQWXDNLSBGTRP-UHFFFAOYSA-N 0 0 431.540 3.528 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)c1 ZINC000008937352 569488126 /nfs/dbraw/zinc/48/81/26/569488126.db2.gz SJVXJJCLEVUBEH-QFIPXVFZSA-N 0 0 431.439 3.619 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2ncsc2c1 ZINC000008939466 569488262 /nfs/dbraw/zinc/48/82/62/569488262.db2.gz RGSLRNZQISYISD-UHFFFAOYSA-N 0 0 425.510 3.639 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccccc1C(F)(F)F ZINC000008940568 569488330 /nfs/dbraw/zinc/48/83/30/569488330.db2.gz DOGFMZUAZQBAJD-UHFFFAOYSA-N 0 0 438.479 3.819 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)COc1ccc(C(C)C)cc1 ZINC000008940725 569488345 /nfs/dbraw/zinc/48/83/45/569488345.db2.gz SIIZCNIPBXEWRM-UHFFFAOYSA-N 0 0 442.589 3.689 50 0 IHAARN CC(C)(CNC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000040113413 569488972 /nfs/dbraw/zinc/48/89/72/569488972.db2.gz SZEUVIDYYAHZRP-UHFFFAOYSA-N 0 0 426.314 3.703 50 0 IHAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1Cl ZINC000008955716 569490193 /nfs/dbraw/zinc/49/01/93/569490193.db2.gz QVOVFLBJPHSGSE-OAHLLOKOSA-N 0 0 432.325 3.975 50 0 IHAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O ZINC000008961037 569490930 /nfs/dbraw/zinc/49/09/30/569490930.db2.gz ARVIHLIJSXYYRR-UHFFFAOYSA-N 0 0 438.461 3.641 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(NCC(C)C)s2)c(=O)n(-c2ccccc2)n1C ZINC000008965732 569491477 /nfs/dbraw/zinc/49/14/77/569491477.db2.gz BKPGPBHMECIXSZ-CQSZACIVSA-N 0 0 446.602 3.523 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)ccc1F ZINC000008965808 569491579 /nfs/dbraw/zinc/49/15/79/569491579.db2.gz HALVZICGDMCDSG-UHFFFAOYSA-N 0 0 448.545 3.551 50 0 IHAARN CCOc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000008967351 569491789 /nfs/dbraw/zinc/49/17/89/569491789.db2.gz CVLMFHJGWMJJHU-UHFFFAOYSA-N 0 0 444.003 3.921 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000040145924 569492216 /nfs/dbraw/zinc/49/22/16/569492216.db2.gz KNFCHVNMQPUOIT-LJQANCHMSA-N 0 0 433.512 3.640 50 0 IHAARN CCCCCNC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000040146728 569492381 /nfs/dbraw/zinc/49/23/81/569492381.db2.gz ALKSCYYNJHROHU-UHFFFAOYSA-N 0 0 434.631 3.945 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000040152444 569493408 /nfs/dbraw/zinc/49/34/08/569493408.db2.gz WXLYVMUGPXGLMH-UHFFFAOYSA-N 0 0 443.389 3.523 50 0 IHAARN Cc1cc(OCC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)c(C(C)C)cc1Cl ZINC000040153005 569493554 /nfs/dbraw/zinc/49/35/54/569493554.db2.gz RWQIBPZZIDECRE-UHFFFAOYSA-N 0 0 448.007 3.892 50 0 IHAARN O=C(Nc1nncs1)C1CCN(Cn2nc(-c3cccc(Cl)c3)oc2=S)CC1 ZINC000040155505 569493982 /nfs/dbraw/zinc/49/39/82/569493982.db2.gz BGCLYHHWXJPMEP-UHFFFAOYSA-N 0 0 436.950 3.686 50 0 IHAARN O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000040156039 569494008 /nfs/dbraw/zinc/49/40/08/569494008.db2.gz DXDKAPUUKNKILI-UHFFFAOYSA-N 0 0 441.329 3.508 50 0 IHAARN C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000040159226 569494726 /nfs/dbraw/zinc/49/47/26/569494726.db2.gz DNHXLCHGWDACNB-XHDPSFHLSA-N 0 0 442.932 3.746 50 0 IHAARN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2c1ccc(Cl)cc1 ZINC000008990546 569495036 /nfs/dbraw/zinc/49/50/36/569495036.db2.gz LWIPMBCNDPMXLH-OAQYLSRUSA-N 0 0 432.915 3.847 50 0 IHAARN O=C(CSCCOc1ccc(Cl)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000040161361 569495222 /nfs/dbraw/zinc/49/52/22/569495222.db2.gz FFLXVVQNDLGJOG-GOSISDBHSA-N 0 0 439.986 3.672 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 ZINC000008995974 569495674 /nfs/dbraw/zinc/49/56/74/569495674.db2.gz OMDJICCKBVKQFY-KRWDZBQOSA-N 0 0 446.576 3.985 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 ZINC000009006528 569496103 /nfs/dbraw/zinc/49/61/03/569496103.db2.gz AJUBDSADCDCSRJ-HXUWFJFHSA-N 0 0 430.913 3.689 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCC(c2ccccc2)=N1 ZINC000009011143 569496501 /nfs/dbraw/zinc/49/65/01/569496501.db2.gz MJESPGVOZXZKMD-UHFFFAOYSA-N 0 0 444.516 3.767 50 0 IHAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009011242 569496513 /nfs/dbraw/zinc/49/65/13/569496513.db2.gz WBQYHEMVRKKENM-UHFFFAOYSA-N 0 0 435.823 3.734 50 0 IHAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 ZINC000245093462 569497263 /nfs/dbraw/zinc/49/72/63/569497263.db2.gz ROLQDHQYWPITIO-HNNXBMFYSA-N 0 0 438.427 3.975 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc1n2CCN(CC(C)C)C1 ZINC000040267232 569497392 /nfs/dbraw/zinc/49/73/92/569497392.db2.gz QWFBYYLAKNBSRD-QHCPKHFHSA-N 0 0 436.512 3.806 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000245187635 569498238 /nfs/dbraw/zinc/49/82/38/569498238.db2.gz ZRNJOYWRZZVIOR-KRWDZBQOSA-N 0 0 429.972 3.686 50 0 IHAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OC(C)C ZINC000040288473 569498433 /nfs/dbraw/zinc/49/84/33/569498433.db2.gz IELSSDAKPNWOMY-OAHLLOKOSA-N 0 0 433.472 3.538 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)CC1 ZINC000040309144 569498666 /nfs/dbraw/zinc/49/86/66/569498666.db2.gz DAKIPBCLXAOYRI-UHFFFAOYSA-N 0 0 440.496 3.698 50 0 biogenic IHAARN COc1ccc(OCCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009052931 569498795 /nfs/dbraw/zinc/49/87/95/569498795.db2.gz OEBBXONDKHRWOT-UHFFFAOYSA-N 0 0 446.569 3.976 50 0 IHAARN COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)CCCc3c[nH]c4ccccc34)cc21 ZINC000040312547 569498883 /nfs/dbraw/zinc/49/88/83/569498883.db2.gz GGZIJYUXNREONQ-UHFFFAOYSA-N 0 0 448.523 3.535 50 0 biogenic IHAARN COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1cccc(C)c1 ZINC000009056342 569499054 /nfs/dbraw/zinc/49/90/54/569499054.db2.gz NYCVXFNIHJPOPZ-UHFFFAOYSA-N 0 0 425.510 3.646 50 0 IHAARN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1 ZINC000009056589 569499067 /nfs/dbraw/zinc/49/90/67/569499067.db2.gz PTMSXTCJUFBQDG-UHFFFAOYSA-N 0 0 430.570 3.863 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 ZINC000009058300 569499299 /nfs/dbraw/zinc/49/92/99/569499299.db2.gz GUSIXBSKJSZOEB-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(OC)c1OC(C)=O ZINC000009065132 569499671 /nfs/dbraw/zinc/49/96/71/569499671.db2.gz LXCDRVPKLSZWDW-CHHVJCJISA-N 0 0 446.253 3.736 50 0 IHAARN CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1 ZINC000245228360 569499725 /nfs/dbraw/zinc/49/97/25/569499725.db2.gz SMPDSUJLCHAFTL-JOTOCRJQSA-N 0 0 436.350 3.517 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040355966 569499894 /nfs/dbraw/zinc/49/98/94/569499894.db2.gz ARGBQXRIROTSEO-UHFFFAOYSA-N 0 0 440.500 3.506 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)NCCCc1nnc(SC)n1C1CCCC1 ZINC000009076897 569500349 /nfs/dbraw/zinc/50/03/49/569500349.db2.gz LIXQKWWMAYRMEN-UHFFFAOYSA-N 0 0 440.573 3.672 50 0 IHAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000009076576 569500381 /nfs/dbraw/zinc/50/03/81/569500381.db2.gz KCMCKJKSDUPXGJ-UHFFFAOYSA-N 0 0 425.295 3.936 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc2c(c1)OCCO2 ZINC000009096216 569501457 /nfs/dbraw/zinc/50/14/57/569501457.db2.gz DMNXFLGBSWKGJU-HNNXBMFYSA-N 0 0 436.537 3.806 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCc4ccccc4)[C@H]3C2)c1 ZINC000245279134 569502048 /nfs/dbraw/zinc/50/20/48/569502048.db2.gz DUNYZZHGZWDJBS-AZGAKELHSA-N 0 0 427.548 3.879 50 0 IHAARN CCCN(c1ccccc1OC)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000009117067 569503048 /nfs/dbraw/zinc/50/30/48/569503048.db2.gz BCMFXSBIHSTGJP-INIZCTEOSA-N 0 0 428.554 3.988 50 0 IHAARN Cc1sc2nc(S[C@H](C)C(=O)NC[C@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C ZINC000009119617 569503589 /nfs/dbraw/zinc/50/35/89/569503589.db2.gz DOAKAYHUKYMERC-GDBMZVCRSA-N 0 0 435.615 3.966 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)N1CCCC1=O ZINC000009119851 569503617 /nfs/dbraw/zinc/50/36/17/569503617.db2.gz BDXCVQRQPIKHIP-UHFFFAOYSA-N 0 0 426.929 3.888 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009120229 569503764 /nfs/dbraw/zinc/50/37/64/569503764.db2.gz SJIKCEDZCRHXOQ-URXFXBBRSA-N 0 0 438.524 3.875 50 0 IHAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3O)[nH]n1)CCCC2 ZINC000009124343 569504246 /nfs/dbraw/zinc/50/42/46/569504246.db2.gz DRALHTHCFOOVSX-UHFFFAOYSA-N 0 0 430.917 3.988 50 0 IHAARN CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCCCC4)C3=O)cc(=O)oc2c1 ZINC000009124782 569504437 /nfs/dbraw/zinc/50/44/37/569504437.db2.gz GFXYGDBWLMXAPX-UHFFFAOYSA-N 0 0 427.457 3.506 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC000009125837 569504746 /nfs/dbraw/zinc/50/47/46/569504746.db2.gz HDPCLWFRFVAVDQ-UHFFFAOYSA-N 0 0 429.542 3.851 50 0 IHAARN Cc1ccccc1-n1c(S[C@@H](C(=O)NC(N)=O)c2ccccc2)nnc1-c1ccncc1 ZINC000009126429 569504905 /nfs/dbraw/zinc/50/49/05/569504905.db2.gz ZXBLOTWNBSDIHF-LJQANCHMSA-N 0 0 444.520 3.666 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000009126904 569505055 /nfs/dbraw/zinc/50/50/55/569505055.db2.gz GFZMFQKYTBTRKF-UHFFFAOYSA-N 0 0 440.521 3.994 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000009127579 569505213 /nfs/dbraw/zinc/50/52/13/569505213.db2.gz JWGPJPWBUQKBRD-UHFFFAOYSA-N 0 0 440.924 3.980 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3nnc(-c4ccccc4C)n3)[C@H](c3ccco3)C2)cc1 ZINC000009127745 569505282 /nfs/dbraw/zinc/50/52/82/569505282.db2.gz KJSPLBITKVEIRH-NRFANRHFSA-N 0 0 426.480 3.928 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009128804 569505488 /nfs/dbraw/zinc/50/54/88/569505488.db2.gz VWIZDZVENXYUEH-VWLOTQADSA-N 0 0 433.435 3.604 50 0 IHAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCCCCN1C(=O)c2ccccc2C1=O ZINC000009129636 569505794 /nfs/dbraw/zinc/50/57/94/569505794.db2.gz MMAUUBQKCUBGBZ-UHFFFAOYSA-N 0 0 445.397 3.675 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)N(C)c3cccc(C)c3)c(Br)cc2C[C@@H]1C ZINC000040450722 569506441 /nfs/dbraw/zinc/50/64/41/569506441.db2.gz RMUNDMSFEYEWIO-ZDUSSCGKSA-N 0 0 437.359 3.880 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1OC ZINC000040484528 569506772 /nfs/dbraw/zinc/50/67/72/569506772.db2.gz JSUTURKEKDZUJA-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000040488428 569506868 /nfs/dbraw/zinc/50/68/68/569506868.db2.gz OEXFSLYYRLSIQY-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009132480 569506975 /nfs/dbraw/zinc/50/69/75/569506975.db2.gz GCBYVUAVCFYQOZ-INIZCTEOSA-N 0 0 435.505 3.513 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(C)C ZINC000009133921 569506981 /nfs/dbraw/zinc/50/69/81/569506981.db2.gz WEHFFUZRUANQCF-VXKWHMMOSA-N 0 0 444.503 3.698 50 0 IHAARN CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cn4cncn4)cc3)c(Cl)cc12 ZINC000009133900 569507002 /nfs/dbraw/zinc/50/70/02/569507002.db2.gz GLQLLYKFLHSYSK-UHFFFAOYSA-N 0 0 438.871 3.666 50 0 IHAARN O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000009156328 569508381 /nfs/dbraw/zinc/50/83/81/569508381.db2.gz UIXOZNGSFDSXPN-CYBMUJFWSA-N 0 0 426.279 3.596 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009157108 569508392 /nfs/dbraw/zinc/50/83/92/569508392.db2.gz LJFJNYBKYPWNRH-UHFFFAOYSA-N 0 0 440.503 3.970 50 0 IHAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000009180165 569509797 /nfs/dbraw/zinc/50/97/97/569509797.db2.gz HKYAMBGLQTWDLJ-UHFFFAOYSA-N 0 0 431.275 3.806 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(CCc2ccccc2)c1=O ZINC000009185198 569510036 /nfs/dbraw/zinc/51/00/36/569510036.db2.gz NNSNEMMNGMTFBL-UHFFFAOYSA-N 0 0 445.342 3.861 50 0 IHAARN CCCCOC(=O)c1ccc(-n2nnc3c(sc4nc(C)cc(COC)c43)c2=O)cc1 ZINC000009185200 569510087 /nfs/dbraw/zinc/51/00/87/569510087.db2.gz NBVFGKRUKKMNLA-UHFFFAOYSA-N 0 0 438.509 3.802 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(CO)nc3ccccc32)cc1 ZINC000009202717 569511249 /nfs/dbraw/zinc/51/12/49/569511249.db2.gz IHLZKAARBNGVKJ-XMMPIXPASA-N 0 0 440.503 3.915 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 ZINC000009206950 569511411 /nfs/dbraw/zinc/51/14/11/569511411.db2.gz JONUIYHVXANTLH-UHFFFAOYSA-N 0 0 429.929 3.651 50 0 IHAARN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 ZINC000069656341 569511688 /nfs/dbraw/zinc/51/16/88/569511688.db2.gz KFYJXPQJAHBYHM-UHFFFAOYSA-N 0 0 433.531 3.946 50 0 IHAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnc(CCC(N)=O)n3C)c3ccccc3)c[nH]c21 ZINC000009219109 569512430 /nfs/dbraw/zinc/51/24/30/569512430.db2.gz UKWSNWQIIKBICX-QHCPKHFHSA-N 0 0 447.564 3.993 50 0 IHAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000009219613 569512488 /nfs/dbraw/zinc/51/24/88/569512488.db2.gz LDGRIYBHEKMKNF-HXUWFJFHSA-N 0 0 433.537 3.780 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)on1 ZINC000009222737 569512770 /nfs/dbraw/zinc/51/27/70/569512770.db2.gz MDKJYPBIYPHYIQ-UHFFFAOYSA-N 0 0 427.526 3.802 50 0 IHAARN COc1ccc(C(=O)N(c2nc(C)cs2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000009222726 569512809 /nfs/dbraw/zinc/51/28/09/569512809.db2.gz MHBIHICFXNSVNQ-UHFFFAOYSA-N 0 0 431.539 3.689 50 0 IHAARN Cc1ccc(N(C)C(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009226483 569513302 /nfs/dbraw/zinc/51/33/02/569513302.db2.gz WAEIPPOVGHBHJR-GJZGRUSLSA-N 0 0 432.567 3.501 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1C ZINC000009226413 569513317 /nfs/dbraw/zinc/51/33/17/569513317.db2.gz ANTMXSHRMWXALC-CABCVRRESA-N 0 0 432.567 3.785 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009239079 569514455 /nfs/dbraw/zinc/51/44/55/569514455.db2.gz DVTKRFBQHUUONR-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn32)c1 ZINC000009241229 569514597 /nfs/dbraw/zinc/51/45/97/569514597.db2.gz SEXSMSFOSPFHFH-UHFFFAOYSA-N 0 0 439.472 3.678 50 0 IHAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1nnc(N)s1 ZINC000009245251 569515279 /nfs/dbraw/zinc/51/52/79/569515279.db2.gz OQAVHJBPWQZZCR-UHFFFAOYSA-N 0 0 426.570 3.818 50 0 IHAARN CCn1c(CSc2ccc3c(c2)OCCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009245318 569515301 /nfs/dbraw/zinc/51/53/01/569515301.db2.gz LYEVWWBKKSGQMH-UHFFFAOYSA-N 0 0 447.582 3.760 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009245374 569515339 /nfs/dbraw/zinc/51/53/39/569515339.db2.gz FZXKUJFAGXIOHM-CYBMUJFWSA-N 0 0 437.568 3.551 50 0 IHAARN COc1cc(O)ccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C ZINC000009249867 569515526 /nfs/dbraw/zinc/51/55/26/569515526.db2.gz HIGOOGTZQPSGKI-KRWDZBQOSA-N 0 0 437.521 3.569 50 0 IHAARN COc1ccc([C@H](NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2)cc1 ZINC000009254218 569516322 /nfs/dbraw/zinc/51/63/22/569516322.db2.gz UOYLGVZNLQGPST-HSZRJFAPSA-N 0 0 433.895 3.964 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3cccc(F)c3)s2)c1C ZINC000009256095 569516698 /nfs/dbraw/zinc/51/66/98/569516698.db2.gz NYMZKISCBGPMCI-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009256289 569516702 /nfs/dbraw/zinc/51/67/02/569516702.db2.gz FSLJSTOCZPSRDQ-KRWDZBQOSA-N 0 0 438.553 3.926 50 0 IHAARN COc1ccc([C@H](CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000009257730 569516872 /nfs/dbraw/zinc/51/68/72/569516872.db2.gz PZUQPRXEQNYULR-QHCPKHFHSA-N 0 0 444.597 3.511 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c1 ZINC000009263520 569517152 /nfs/dbraw/zinc/51/71/52/569517152.db2.gz LCOMJZKLSJLXHO-UHFFFAOYSA-N 0 0 442.541 3.759 50 0 IHAARN Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009263808 569517243 /nfs/dbraw/zinc/51/72/43/569517243.db2.gz CFZUAOAGMCGNCO-UHFFFAOYSA-N 0 0 433.537 3.802 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264028 569517280 /nfs/dbraw/zinc/51/72/80/569517280.db2.gz BBMWOOSGDQDSJS-GFCCVEGCSA-N 0 0 448.549 3.503 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264091 569517329 /nfs/dbraw/zinc/51/73/29/569517329.db2.gz PQOPHAZZKJDWMD-LBPRGKRZSA-N 0 0 448.549 3.503 50 0 IHAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c1 ZINC000009273754 569518108 /nfs/dbraw/zinc/51/81/08/569518108.db2.gz CGPSOYFFGJYPTJ-INIZCTEOSA-N 0 0 440.565 3.739 50 0 IHAARN O=c1c(=O)c(N(CCc2ccccc2)Cc2ccccc2)c1-c1ccc2c(c1)OCC(=O)N2 ZINC000009274010 569518180 /nfs/dbraw/zinc/51/81/80/569518180.db2.gz AVTSQBQGORTZPP-UHFFFAOYSA-N 0 0 438.483 3.530 50 0 IHAARN Cc1ccc(Cl)cc1Nc1nn2c(nc3cc(C(=O)NC4CC4)ccc3c2=O)s1 ZINC000009274554 569518238 /nfs/dbraw/zinc/51/82/38/569518238.db2.gz ASDPETAVGHXMHS-UHFFFAOYSA-N 0 0 425.901 3.902 50 0 IHAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559467 569546969 /nfs/dbraw/zinc/54/69/69/569546969.db2.gz LEFCQZUWTGDARH-CYBMUJFWSA-N 0 0 449.436 3.750 50 0 IHAARN COc1ccc2cc(CCNC(=S)Nc3cccc(Br)c3)c(=O)[nH]c2c1 ZINC000009278782 569518510 /nfs/dbraw/zinc/51/85/10/569518510.db2.gz QAUSVBYFUZKXJE-UHFFFAOYSA-N 0 0 432.343 3.828 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C ZINC000009283360 569518854 /nfs/dbraw/zinc/51/88/54/569518854.db2.gz YTVIUTCZQKMIFJ-JTQLQIEISA-N 0 0 428.272 3.694 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000009283292 569518864 /nfs/dbraw/zinc/51/88/64/569518864.db2.gz QGOMGWCMPQDFGZ-UHFFFAOYSA-N 0 0 439.961 3.533 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009302644 569520822 /nfs/dbraw/zinc/52/08/22/569520822.db2.gz RKDYATGFXUDIDJ-CQSZACIVSA-N 0 0 447.586 3.985 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2C)s1 ZINC000009302692 569520892 /nfs/dbraw/zinc/52/08/92/569520892.db2.gz ZLTPCLZSYVUVSQ-UHFFFAOYSA-N 0 0 444.542 3.772 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccccc2F)OCC3)c(=O)n(C)c1=O ZINC000009303081 569520996 /nfs/dbraw/zinc/52/09/96/569520996.db2.gz WXOXCCFFYDWWIY-NRFANRHFSA-N 0 0 439.874 3.618 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2ccnn2Cc2cccs2)nn1-c1ccc(Cl)cc1 ZINC000009313792 569522025 /nfs/dbraw/zinc/52/20/25/569522025.db2.gz LBAOSIRPQZMYOK-UHFFFAOYSA-N 0 0 425.901 3.753 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc(-c2ccsc2)no1 ZINC000009313798 569522030 /nfs/dbraw/zinc/52/20/30/569522030.db2.gz NSUJXYPFWKAAGA-UHFFFAOYSA-N 0 0 449.330 3.557 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C1C(=O)N(CCc2ccccc2)C(=S)N=C1[O-] ZINC000009318519 569522490 /nfs/dbraw/zinc/52/24/90/569522490.db2.gz HIRTVLPDRPGPHL-OAQYLSRUSA-N 0 0 448.548 3.579 50 0 biogenic IHAARN CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3cccs3)CC1)O[C@H](C)C2 ZINC000009337515 569523615 /nfs/dbraw/zinc/52/36/15/569523615.db2.gz ZVUCBMMDPMPJKB-OAHLLOKOSA-N 0 0 428.554 3.639 50 0 IHAARN CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009339510 569523767 /nfs/dbraw/zinc/52/37/67/569523767.db2.gz QBMINFPLUMCPCT-UHFFFAOYSA-N 0 0 435.549 3.556 50 0 IHAARN CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCC3=CCCCC3)c(=O)oc2c1 ZINC000009340298 569523865 /nfs/dbraw/zinc/52/38/65/569523865.db2.gz BEVHAESZGFOUBL-UHFFFAOYSA-N 0 0 441.480 3.501 50 0 IHAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009345945 569524152 /nfs/dbraw/zinc/52/41/52/569524152.db2.gz MMVLCRIUIHOPNC-YLJYHZDGSA-N 0 0 435.973 3.940 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000009347586 569524267 /nfs/dbraw/zinc/52/42/67/569524267.db2.gz JRBZRKPZPPNFHN-UHFFFAOYSA-N 0 0 432.498 3.700 50 0 IHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000009347517 569524273 /nfs/dbraw/zinc/52/42/73/569524273.db2.gz XQRYWSCTCIKVDJ-UHFFFAOYSA-N 0 0 429.542 3.911 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000041024909 569524509 /nfs/dbraw/zinc/52/45/09/569524509.db2.gz WTYMSSBRIWZLEM-LJQANCHMSA-N 0 0 439.537 3.544 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(NC(=O)c3cccs3)c2)C1=O ZINC000009364940 569526045 /nfs/dbraw/zinc/52/60/45/569526045.db2.gz 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C[C@H](C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009390582 569528683 /nfs/dbraw/zinc/52/86/83/569528683.db2.gz SAYGRMXQNDDUNX-QVKFZJNVSA-N 0 0 446.434 3.733 50 0 IHAARN O=C(CSCc1ccccc1)Nc1nnc(SCC(=O)N2CCCCCC2)s1 ZINC000009391052 569528871 /nfs/dbraw/zinc/52/88/71/569528871.db2.gz GNFYZVZWKZPFRS-UHFFFAOYSA-N 0 0 436.628 3.905 50 0 IHAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 ZINC000009390806 569528779 /nfs/dbraw/zinc/52/87/79/569528779.db2.gz BXOOMOZVRJMCDE-UHFFFAOYSA-N 0 0 438.553 3.992 50 0 IHAARN CCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000009395786 569529120 /nfs/dbraw/zinc/52/91/20/569529120.db2.gz HTQIKUZDOPTLPK-LBPRGKRZSA-N 0 0 435.860 3.703 50 0 IHAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@@H]1c1cccnc1 ZINC000009393893 569529133 /nfs/dbraw/zinc/52/91/33/569529133.db2.gz KJMDVLWPVXHOPW-QGZVFWFLSA-N 0 0 438.484 3.601 50 0 IHAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3nccnc3c2=O)cc1 ZINC000009405379 569529870 /nfs/dbraw/zinc/52/98/70/569529870.db2.gz RITQOKBNTNFGOR-UHFFFAOYSA-N 0 0 445.548 3.891 50 0 IHAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000009406847 569530187 /nfs/dbraw/zinc/53/01/87/569530187.db2.gz QCEIFYAROBTMAT-UHFFFAOYSA-N 0 0 434.521 3.798 50 0 IHAARN COc1cc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc(OC)c1OC ZINC000009407509 569530231 /nfs/dbraw/zinc/53/02/31/569530231.db2.gz FTUPWYSCBLATJS-UHFFFAOYSA-N 0 0 445.518 3.981 50 0 IHAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000009407644 569530285 /nfs/dbraw/zinc/53/02/85/569530285.db2.gz OIZIOMXXIWTNIG-NHCICSSKSA-N 0 0 443.565 3.890 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)c12 ZINC000009408006 569530430 /nfs/dbraw/zinc/53/04/30/569530430.db2.gz QCLMOROCPFCYGN-UHFFFAOYSA-N 0 0 448.567 3.952 50 0 IHAARN C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009411828 569531555 /nfs/dbraw/zinc/53/15/55/569531555.db2.gz 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O=C(CCSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)Nc1ccccc1 ZINC000009426864 569533322 /nfs/dbraw/zinc/53/33/22/569533322.db2.gz RAGLVNJKHQQEIL-UHFFFAOYSA-N 0 0 447.520 3.911 50 0 IHAARN COc1ccc(Nc2nc(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cs2)cc1 ZINC000009428969 569533637 /nfs/dbraw/zinc/53/36/37/569533637.db2.gz VTWUTHZXDQKRQD-SFHVURJKSA-N 0 0 425.466 3.728 50 0 IHAARN O=C(Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21)Nc1ccc(F)cc1 ZINC000009429797 569533756 /nfs/dbraw/zinc/53/37/56/569533756.db2.gz PHMLDPRJGXQWCB-XIKOKIGWSA-N 0 0 428.510 3.934 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)cc2NC1=O ZINC000009430008 569533845 /nfs/dbraw/zinc/53/38/45/569533845.db2.gz BTPUMFFANXWREX-MRXNPFEDSA-N 0 0 440.493 3.590 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CC)S2 ZINC000009430216 569533921 /nfs/dbraw/zinc/53/39/21/569533921.db2.gz PTSYZUSYOGUYET-SFHVURJKSA-N 0 0 448.566 3.711 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3C)cc2NC1=O ZINC000009430235 569533936 /nfs/dbraw/zinc/53/39/36/569533936.db2.gz MZFMMXHJJMLTIN-KRWDZBQOSA-N 0 0 436.530 3.759 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009431288 569534156 /nfs/dbraw/zinc/53/41/56/569534156.db2.gz GYCOBHFSYSEATH-SFHVURJKSA-N 0 0 435.611 3.949 50 0 IHAARN CCN1c2ccccc2[C@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC ZINC000009431975 569534327 /nfs/dbraw/zinc/53/43/27/569534327.db2.gz PZMNRSZLSCNTNP-AREMUKBSSA-N 0 0 446.503 3.512 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@]1(c2ccccc2N(C)C1=O)N(CCCOC(C)C)C3=O ZINC000009431970 569534328 /nfs/dbraw/zinc/53/43/28/569534328.db2.gz LNQFQGVJJLPGPZ-SANMLTNESA-N 0 0 446.503 3.592 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2nnc(-c3cccs3)o2)cc1 ZINC000009439824 569535164 /nfs/dbraw/zinc/53/51/64/569535164.db2.gz TURZTNAYLGATHS-UHFFFAOYSA-N 0 0 431.495 3.791 50 0 IHAARN O=S(=O)(Oc1ccc2c(c1)OCO2)c1cc(Br)ccc1Br ZINC000009440205 569535191 /nfs/dbraw/zinc/53/51/91/569535191.db2.gz WNECFCXUCCAXMN-UHFFFAOYSA-N 0 0 436.077 3.708 50 0 IHAARN COc1ccc(-c2csc(NC(=O)COC(=O)CSCc3c(C)noc3C)n2)cc1 ZINC000009442433 569535548 /nfs/dbraw/zinc/53/55/48/569535548.db2.gz ITFOYNRGGGRBJB-UHFFFAOYSA-N 0 0 447.538 3.839 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000009451742 569536441 /nfs/dbraw/zinc/53/64/41/569536441.db2.gz HFXWWANBMAXBSC-UHFFFAOYSA-N 0 0 433.533 3.931 50 0 IHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000009452156 569536470 /nfs/dbraw/zinc/53/64/70/569536470.db2.gz MQMGAKNWVAEYJX-NRFANRHFSA-N 0 0 433.460 3.988 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009456078 569536723 /nfs/dbraw/zinc/53/67/23/569536723.db2.gz RVPPLRYGHZCLEX-QGZVFWFLSA-N 0 0 428.337 3.588 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O ZINC000009460347 569536960 /nfs/dbraw/zinc/53/69/60/569536960.db2.gz YEOCKYFVDYLCAW-NBGIEHNGSA-N 0 0 445.544 3.960 50 0 IHAARN COc1ccccc1CNC(=O)COC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000009461258 569537001 /nfs/dbraw/zinc/53/70/01/569537001.db2.gz GWITURFRODZUER-UHFFFAOYSA-N 0 0 441.915 3.683 50 0 IHAARN COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009463698 569537462 /nfs/dbraw/zinc/53/74/62/569537462.db2.gz NJGHRYATHUBEDF-HXUWFJFHSA-N 0 0 445.581 3.587 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(C)cc3C)n2N)cc1 ZINC000009463875 569537553 /nfs/dbraw/zinc/53/75/53/569537553.db2.gz DYGLAEQLEREFIQ-MRXNPFEDSA-N 0 0 439.541 3.510 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CCC(=O)c1cc(C)sc1C ZINC000009464514 569537693 /nfs/dbraw/zinc/53/76/93/569537693.db2.gz DZBAENURCUZXLU-UHFFFAOYSA-N 0 0 437.539 3.975 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc12 ZINC000009465055 569537867 /nfs/dbraw/zinc/53/78/67/569537867.db2.gz MOPAFSSAGYNQSB-FQEVSTJZSA-N 0 0 448.523 3.646 50 0 IHAARN O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)NC(=O)Cc1ccccc1 ZINC000009467873 569538570 /nfs/dbraw/zinc/53/85/70/569538570.db2.gz CNXRMISNWWJVCS-UHFFFAOYSA-N 0 0 426.321 3.655 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009478094 569539313 /nfs/dbraw/zinc/53/93/13/569539313.db2.gz BLSAZLTVTKKDTJ-KSSFIOAISA-N 0 0 447.557 3.808 50 0 IHAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O ZINC000009478688 569539350 /nfs/dbraw/zinc/53/93/50/569539350.db2.gz QAATYARHOTXNCP-HSZRJFAPSA-N 0 0 428.460 3.663 50 0 IHAARN COc1cccc(OC)c1OC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009487031 569539656 /nfs/dbraw/zinc/53/96/56/569539656.db2.gz KYVGFWNMAUWBLR-UHFFFAOYSA-N 0 0 427.478 3.748 50 0 IHAARN Clc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)c(Cl)c1 ZINC000009488306 569539899 /nfs/dbraw/zinc/53/98/99/569539899.db2.gz RPSUDOBJMXRLGC-UHFFFAOYSA-N 0 0 432.296 3.865 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccs1 ZINC000009493536 569540749 /nfs/dbraw/zinc/54/07/49/569540749.db2.gz DUQGFRYWLPMVSF-QLFBSQMISA-N 0 0 436.603 3.603 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009496119 569541171 /nfs/dbraw/zinc/54/11/71/569541171.db2.gz KDKMVQAJIVYGOW-UHFFFAOYSA-N 0 0 440.569 3.647 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000009497701 569541289 /nfs/dbraw/zinc/54/12/89/569541289.db2.gz BWSBUPILBYPLRV-UHFFFAOYSA-N 0 0 429.904 3.813 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000009507070 569541943 /nfs/dbraw/zinc/54/19/43/569541943.db2.gz ZFHXCZUPYQONNN-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000009507229 569541987 /nfs/dbraw/zinc/54/19/87/569541987.db2.gz YOTXCCLFWNCUQE-UHFFFAOYSA-N 0 0 438.455 3.790 50 0 IHAARN Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 ZINC000009508866 569542426 /nfs/dbraw/zinc/54/24/26/569542426.db2.gz DJJVYRQHOGGBQT-OAHLLOKOSA-N 0 0 441.484 3.544 50 0 IHAARN Cc1nc2cc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)ccc2n1-c1ccccc1 ZINC000009509892 569542628 /nfs/dbraw/zinc/54/26/28/569542628.db2.gz 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3.679 50 0 IHAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1F ZINC000009959863 569575249 /nfs/dbraw/zinc/57/52/49/569575249.db2.gz KKMLXPPQQUSRBS-UHFFFAOYSA-N 0 0 449.463 3.797 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(OC)c1 ZINC000071327850 569575363 /nfs/dbraw/zinc/57/53/63/569575363.db2.gz HDKYBQIEYUXCNW-UHFFFAOYSA-N 0 0 435.524 3.880 50 0 IHAARN O=C(Nc1nnc(C2CCCCC2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCCC1 ZINC000071333907 569575678 /nfs/dbraw/zinc/57/56/78/569575678.db2.gz QWVBSYYTCULGRY-GOSISDBHSA-N 0 0 427.574 3.941 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cn2cccc(C)c2n1 ZINC000009986227 569576708 /nfs/dbraw/zinc/57/67/08/569576708.db2.gz LCQJQWYWQFXXDF-UHFFFAOYSA-N 0 0 429.571 3.732 50 0 IHAARN O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009991611 569576906 /nfs/dbraw/zinc/57/69/06/569576906.db2.gz UFFPINDJSPGZFF-UHFFFAOYSA-N 0 0 444.578 3.626 50 0 IHAARN O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1)N1CCCC1 ZINC000010037747 569577450 /nfs/dbraw/zinc/57/74/50/569577450.db2.gz OWQWOPKIQIRBIQ-NRFANRHFSA-N 0 0 445.610 3.712 50 0 IHAARN COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cn1 ZINC000010037361 569577464 /nfs/dbraw/zinc/57/74/64/569577464.db2.gz DDNANXKXHONZLH-NRFANRHFSA-N 0 0 432.455 3.690 50 0 IHAARN Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc2nc(C)cc(C)c12 ZINC000010086104 569577688 /nfs/dbraw/zinc/57/76/88/569577688.db2.gz XUYZRPSWCXYRIY-UHFFFAOYSA-N 0 0 443.594 3.509 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000010101124 569577788 /nfs/dbraw/zinc/57/77/88/569577788.db2.gz PWNKESRHWONSGW-GOSISDBHSA-N 0 0 432.904 3.589 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1 ZINC000010098294 569577794 /nfs/dbraw/zinc/57/77/94/569577794.db2.gz RJLDGKWOEXOTGG-MRXNPFEDSA-N 0 0 447.351 3.768 50 0 IHAARN Cc1c(C)n(C2CCCC2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n12 ZINC000010103043 569577800 /nfs/dbraw/zinc/57/78/00/569577800.db2.gz PWZUGJPUFUBNMR-UHFFFAOYSA-N 0 0 425.920 3.583 50 0 IHAARN CC[C@@H](C)n1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1c(Cl)cccc1Cl)c3=O ZINC000010103914 569577860 /nfs/dbraw/zinc/57/78/60/569577860.db2.gz DNKBKXRBRPEYRY-LLVKDONJSA-N 0 0 434.327 3.784 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000010145574 569578108 /nfs/dbraw/zinc/57/81/08/569578108.db2.gz HQYALWNKSWGOJH-SJLPKXTDSA-N 0 0 435.549 3.645 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1ccc(Cl)cc1 ZINC000010186737 569578475 /nfs/dbraw/zinc/57/84/75/569578475.db2.gz HHQNLBRNXYBJJN-UHFFFAOYSA-N 0 0 440.956 3.950 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000010187905 569578748 /nfs/dbraw/zinc/57/87/48/569578748.db2.gz NCGKIVMNAZNFSR-UHFFFAOYSA-N 0 0 430.382 3.939 50 0 IHAARN Cc1cccc(Nc2nnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)s2)c1C ZINC000010211271 569578975 /nfs/dbraw/zinc/57/89/75/569578975.db2.gz TWIBZBIGOUBLMJ-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000010213067 569579058 /nfs/dbraw/zinc/57/90/58/569579058.db2.gz FKBVWVWWFIWKLO-UHFFFAOYSA-N 0 0 440.521 3.964 50 0 IHAARN Fc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000010213514 569579059 /nfs/dbraw/zinc/57/90/59/569579059.db2.gz NZFKDDWUDBXBGW-SFHVURJKSA-N 0 0 437.504 3.531 50 0 IHAARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213880 569579089 /nfs/dbraw/zinc/57/90/89/569579089.db2.gz KDUKUBUAZZQGFU-LJQANCHMSA-N 0 0 435.480 3.907 50 0 IHAARN CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000010251220 569579827 /nfs/dbraw/zinc/57/98/27/569579827.db2.gz XYDBOGUWLSTENZ-UHFFFAOYSA-N 0 0 425.448 3.518 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccccc2C(F)(F)F)c3=O)cc1C ZINC000010252078 569579835 /nfs/dbraw/zinc/57/98/35/569579835.db2.gz YYQVMTVGEAGOEY-UHFFFAOYSA-N 0 0 427.386 3.602 50 0 IHAARN CC(C)(C)n1ncc2c1ncn(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c2=O ZINC000010250834 569579858 /nfs/dbraw/zinc/57/98/58/569579858.db2.gz GANZBJFOFSXUFH-UHFFFAOYSA-N 0 0 447.339 3.770 50 0 IHAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1CN1C(=O)CNC1=O ZINC000010276167 569580386 /nfs/dbraw/zinc/58/03/86/569580386.db2.gz WVPQBYHZPHXYRG-UHFFFAOYSA-N 0 0 433.439 3.600 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1Cc1ccccc1Cl ZINC000010276216 569580415 /nfs/dbraw/zinc/58/04/15/569580415.db2.gz RPQIMHRPRXWZCK-KRWDZBQOSA-N 0 0 445.976 3.947 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)cc1 ZINC000071745228 569580446 /nfs/dbraw/zinc/58/04/46/569580446.db2.gz FCLVXHGZDMZYAF-VWLOTQADSA-N 0 0 448.523 3.609 50 0 IHAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000010283484 569580485 /nfs/dbraw/zinc/58/04/85/569580485.db2.gz OQUSGWHDQVSRGB-UHFFFAOYSA-N 0 0 436.489 3.929 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(CCC)no4)ccn3)cn2)cc1 ZINC000071768443 569580760 /nfs/dbraw/zinc/58/07/60/569580760.db2.gz DTXRTQJOSWWSLA-UHFFFAOYSA-N 0 0 446.511 3.989 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000071768983 569580835 /nfs/dbraw/zinc/58/08/35/569580835.db2.gz TZUQUHCMHWMMBE-UHFFFAOYSA-N 0 0 448.523 3.584 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000071768967 569580842 /nfs/dbraw/zinc/58/08/42/569580842.db2.gz HZRNTRIVVHYMDQ-UHFFFAOYSA-N 0 0 433.508 3.828 50 0 IHAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1OC ZINC000010336980 569581175 /nfs/dbraw/zinc/58/11/75/569581175.db2.gz XQLRUPDGLZVURF-XZOQPEGZSA-N 0 0 440.463 3.645 50 0 IHAARN CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337364 569581293 /nfs/dbraw/zinc/58/12/93/569581293.db2.gz GUVHOGPWDZIWQP-UHFFFAOYSA-N 0 0 449.573 3.828 50 0 IHAARN CS(=O)(=O)Nc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010363301 569581478 /nfs/dbraw/zinc/58/14/78/569581478.db2.gz JURBOEQQDZXKBB-UHFFFAOYSA-N 0 0 426.542 3.629 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1SC(F)F ZINC000010414403 569582008 /nfs/dbraw/zinc/58/20/08/569582008.db2.gz IVUMZBITQHZONF-UHFFFAOYSA-N 0 0 436.509 3.860 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000010435081 569582157 /nfs/dbraw/zinc/58/21/57/569582157.db2.gz IMAXDSQZGZCTKU-UHFFFAOYSA-N 0 0 444.578 3.954 50 0 IHAARN COC(=O)c1nc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc1CC(C)C ZINC000072401906 569583682 /nfs/dbraw/zinc/58/36/82/569583682.db2.gz NFADQHVWSRLXNQ-UHFFFAOYSA-N 0 0 430.482 3.561 50 0 biogenic IHAARN COC(=O)c1nc(NC(=O)COc2coc(C)cc2=O)sc1-c1ccccc1Cl ZINC000072404841 569583726 /nfs/dbraw/zinc/58/37/26/569583726.db2.gz XIXAWNHEDCKSLA-UHFFFAOYSA-N 0 0 434.857 3.529 50 0 IHAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000036357465 569584025 /nfs/dbraw/zinc/58/40/25/569584025.db2.gz XSNDQEMGTHFQRG-AWEZNQCLSA-N 0 0 434.403 3.604 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CC(c3nc(Cc4ccccc4)no3)C2)c1 ZINC000077099555 569585228 /nfs/dbraw/zinc/58/52/28/569585228.db2.gz SKFAPDPOHDOEMP-UHFFFAOYSA-N 0 0 428.286 3.671 50 0 IHAARN COc1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1F ZINC000077100673 569585416 /nfs/dbraw/zinc/58/54/16/569585416.db2.gz RRHHWCQGVVWCCI-UHFFFAOYSA-N 0 0 436.487 3.699 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000077101233 569585571 /nfs/dbraw/zinc/58/55/71/569585571.db2.gz ISPYPPMGWBJYCA-UHFFFAOYSA-N 0 0 447.436 3.886 50 0 IHAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(c2nc(Cc3cccs3)no2)C1 ZINC000077190808 569585929 /nfs/dbraw/zinc/58/59/29/569585929.db2.gz YEWYBYITUCCWNV-UHFFFAOYSA-N 0 0 429.445 3.529 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200410 569586360 /nfs/dbraw/zinc/58/63/60/569586360.db2.gz UONXDFATPMSJPD-ZWKOTPCHSA-N 0 0 436.505 3.981 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000077200415 569586361 /nfs/dbraw/zinc/58/63/61/569586361.db2.gz OSCNAOSLPLMLIT-MOPGFXCFSA-N 0 0 434.489 3.867 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200409 569586368 /nfs/dbraw/zinc/58/63/68/569586368.db2.gz UONXDFATPMSJPD-QZTJIDSGSA-N 0 0 436.505 3.981 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1Cl ZINC000077200426 569586424 /nfs/dbraw/zinc/58/64/24/569586424.db2.gz MBVOGEAQRRRFEE-OAHLLOKOSA-N 0 0 427.892 3.957 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 ZINC000077200705 569586480 /nfs/dbraw/zinc/58/64/80/569586480.db2.gz HBPNESFEPSNNBT-FMIVXFBMSA-N 0 0 430.580 3.961 50 0 IHAARN CCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2C1 ZINC000077200768 569586514 /nfs/dbraw/zinc/58/65/14/569586514.db2.gz AEZYVPYRDOFFQJ-UHFFFAOYSA-N 0 0 426.460 3.942 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(-c4cc(OC)ccc4OC)oc3C)CC2=O)c1 ZINC000055243817 569587257 /nfs/dbraw/zinc/58/72/57/569587257.db2.gz RGRRPXUCJQGNRM-UHFFFAOYSA-N 0 0 437.496 3.525 50 0 IHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](O)[C@H](O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004333122 291365343 /nfs/dbraw/zinc/36/53/43/291365343.db2.gz HSENALUPARAQJF-ITZNTROMSA-N 0 0 426.594 3.716 50 0 IHAARN CCOC(=O)COc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000000623284 193859807 /nfs/dbraw/zinc/85/98/07/193859807.db2.gz NOKBOMLGUXSMLU-YVLHZVERSA-N 0 0 445.855 3.644 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc(-c4ccccc4)o3)nc2c1 ZINC000006135001 193880873 /nfs/dbraw/zinc/88/08/73/193880873.db2.gz BSYRSWTZQXRTFG-UHFFFAOYSA-N 0 0 443.554 3.936 50 0 IHAARN CCOc1cc2c(cc1/C=C(\C(=O)N1CCOCC1)c1nc3ccccc3[nH]1)O[C@H](C)C2 ZINC000050576680 193921902 /nfs/dbraw/zinc/92/19/02/193921902.db2.gz XMELEAIORJHXIC-YZYPPFLQSA-N 0 0 433.508 3.684 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000009139620 132227170 /nfs/dbraw/zinc/22/71/70/132227170.db2.gz BXNNXIPQYASBNC-UHFFFAOYSA-N 0 0 448.523 3.613 50 0 IHAARN CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000624832 132227816 /nfs/dbraw/zinc/22/78/16/132227816.db2.gz MACRTOQEWPTQRE-UHFFFAOYSA-N 0 0 442.972 3.511 50 0 IHAARN CCc1ccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000000667463 132228996 /nfs/dbraw/zinc/22/89/96/132228996.db2.gz CTQYCQLRUZDLOL-UHFFFAOYSA-N 0 0 438.553 3.652 50 0 IHAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009284309 132229639 /nfs/dbraw/zinc/22/96/39/132229639.db2.gz NWOBQYYYOTZWMZ-UHFFFAOYSA-N 0 0 436.339 3.979 50 0 IHAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)c1 ZINC000009518952 132232732 /nfs/dbraw/zinc/23/27/32/132232732.db2.gz IOUREKIMMJEUSH-YRNVUSSQSA-N 0 0 441.535 3.769 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000009573697 132236138 /nfs/dbraw/zinc/23/61/38/132236138.db2.gz HNNPYDBOELYTHY-UHFFFAOYSA-N 0 0 440.956 3.940 50 0 IHAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc2ccccc2c1 ZINC000009714662 132237177 /nfs/dbraw/zinc/23/71/77/132237177.db2.gz OMUYRNKBDIHWRH-UHFFFAOYSA-N 0 0 446.532 3.934 50 0 IHAARN O=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009738705 132240306 /nfs/dbraw/zinc/24/03/06/132240306.db2.gz XCOHAWMJUSNCCW-UHFFFAOYSA-N 0 0 428.535 3.907 50 0 IHAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCc5ccccc54)c(=O)c32)C1 ZINC000001331871 132242451 /nfs/dbraw/zinc/24/24/51/132242451.db2.gz QWIUVLUOYBRLFF-MRXNPFEDSA-N 0 0 436.581 3.983 50 0 IHAARN O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCN(c1ccc(Cl)nn1)CC2 ZINC000001396789 132244851 /nfs/dbraw/zinc/24/48/51/132244851.db2.gz RKMHUXFKKMHJKM-UHFFFAOYSA-N 0 0 427.719 3.906 50 0 IHAARN COc1ccc(-n2ncc(N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2=O)cc1 ZINC000001404473 132245004 /nfs/dbraw/zinc/24/50/04/132245004.db2.gz VMVTVIZTGLSDMO-UHFFFAOYSA-N 0 0 431.323 3.875 50 0 IHAARN O=C(COc1ccc(-c2nnc(N3CCOCC3)c3ccccc32)cc1)N1CCCCC1 ZINC000002211560 132248998 /nfs/dbraw/zinc/24/89/98/132248998.db2.gz ZQLRGLXUFGYWGU-UHFFFAOYSA-N 0 0 432.524 3.525 50 0 IHAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000002419197 132254182 /nfs/dbraw/zinc/25/41/82/132254182.db2.gz KHDIULCEYXSWJO-UHFFFAOYSA-N 0 0 445.564 3.792 50 0 IHAARN Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003019362 132260646 /nfs/dbraw/zinc/26/06/46/132260646.db2.gz JHPJXCZTELKSOL-WBVHZDCISA-N 0 0 434.927 3.960 50 0 IHAARN COc1ccccc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003332973 132264114 /nfs/dbraw/zinc/26/41/14/132264114.db2.gz VRRBVPIYOWRFSS-UHFFFAOYSA-N 0 0 437.462 3.621 50 0 IHAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000003670135 132267450 /nfs/dbraw/zinc/26/74/50/132267450.db2.gz XFAUDHVSOMJKIN-DEOSSOPVSA-N 0 0 435.455 3.738 50 0 IHAARN COC(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 ZINC000004711468 132272711 /nfs/dbraw/zinc/27/27/11/132272711.db2.gz OZOQEJXNMZHAOF-UHFFFAOYSA-N 0 0 426.513 3.625 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004704272 132272751 /nfs/dbraw/zinc/27/27/51/132272751.db2.gz XFUVMRIQJKBRFM-FQEVSTJZSA-N 0 0 425.548 3.782 50 0 IHAARN COc1cc2c(C(=O)N3CCN(c4ccccc4)CC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000004763142 132273591 /nfs/dbraw/zinc/27/35/91/132273591.db2.gz PGMAASLEZBWDFV-UHFFFAOYSA-N 0 0 449.551 3.637 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 ZINC000006089563 132275907 /nfs/dbraw/zinc/27/59/07/132275907.db2.gz RESXEJDJNAZXQJ-UHFFFAOYSA-N 0 0 447.491 3.671 50 0 IHAARN Cc1nnc(N2CCN(c3ccc(Cl)cc3)CC2)c2c1nnn2Cc1ccc(F)cc1 ZINC000008613203 132288636 /nfs/dbraw/zinc/28/86/36/132288636.db2.gz SAWNIWONJYWWAU-UHFFFAOYSA-N 0 0 437.910 3.697 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1Cl ZINC000009013804 132300800 /nfs/dbraw/zinc/30/08/00/132300800.db2.gz MAWZOZZQSTZBNS-UHFFFAOYSA-N 0 0 427.915 3.621 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)cc1 ZINC000009015209 132300877 /nfs/dbraw/zinc/30/08/77/132300877.db2.gz MODQSXZQKNTGLP-UHFFFAOYSA-N 0 0 449.942 3.703 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000009095851 132302838 /nfs/dbraw/zinc/30/28/38/132302838.db2.gz JZUZHGXIRQHYDB-UHFFFAOYSA-N 0 0 429.933 3.693 50 0 IHAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1 ZINC000009109561 132303031 /nfs/dbraw/zinc/30/30/31/132303031.db2.gz TZQNHLISEPTYMI-INIZCTEOSA-N 0 0 449.942 3.695 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)cc1 ZINC000009110049 132303150 /nfs/dbraw/zinc/30/31/50/132303150.db2.gz BRLLDJBURZNQQR-UHFFFAOYSA-N 0 0 449.942 3.703 50 0 IHAARN O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009154276 132307165 /nfs/dbraw/zinc/30/71/65/132307165.db2.gz MORWQBXWZPIDKG-UHFFFAOYSA-N 0 0 431.492 3.793 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211060 132308914 /nfs/dbraw/zinc/30/89/14/132308914.db2.gz PWWMJQCJKZZZJY-QGZVFWFLSA-N 0 0 438.963 3.739 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211238 132309112 /nfs/dbraw/zinc/30/91/12/132309112.db2.gz RNCXXUMNEINBCM-UHFFFAOYSA-N 0 0 434.544 3.725 50 0 IHAARN C[C@H]1Cn2c3c(nc2N(c2ccc(F)cc2)C1)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009243263 132310449 /nfs/dbraw/zinc/31/04/49/132310449.db2.gz XSRNXQCXYQOXSY-RCMYXZNBSA-N 0 0 445.498 3.537 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3C[C@H](C)Oc4ccc(C)cc43)C[C@@H]2C)c1 ZINC000009251930 132311069 /nfs/dbraw/zinc/31/10/69/132311069.db2.gz BMQORBONTOFYDX-SFTDATJTSA-N 0 0 435.568 3.935 50 0 IHAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)c1 ZINC000009263826 132311726 /nfs/dbraw/zinc/31/17/26/132311726.db2.gz CJFHCWCWPITWEI-UHFFFAOYSA-N 0 0 440.525 3.524 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009285521 132312470 /nfs/dbraw/zinc/31/24/70/132312470.db2.gz YVZOVIYXBQDRIU-OAHLLOKOSA-N 0 0 441.532 3.577 50 0 IHAARN Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(C(=O)c4ccco4)CC3)nc2C1 ZINC000009287260 132312646 /nfs/dbraw/zinc/31/26/46/132312646.db2.gz DZPIGENKDLNJGV-GOSISDBHSA-N 0 0 430.508 3.562 50 0 IHAARN CCN1C[C@@H](CN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)Oc2ccccc21 ZINC000009468522 132318510 /nfs/dbraw/zinc/31/85/10/132318510.db2.gz ICVIHDMKNFCRGZ-OAQYLSRUSA-N 0 0 441.535 3.839 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(OC)cc1 ZINC000009530320 132320916 /nfs/dbraw/zinc/32/09/16/132320916.db2.gz PVVPIWNLWHSGOX-UHFFFAOYSA-N 0 0 433.555 3.732 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1 ZINC000009569497 132321929 /nfs/dbraw/zinc/32/19/29/132321929.db2.gz RQDCDGQYKMLJKE-UHFFFAOYSA-N 0 0 446.525 3.768 50 0 IHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 ZINC000009587965 132322346 /nfs/dbraw/zinc/32/23/46/132322346.db2.gz XSDHSSHPFFKYRW-KSFYIVLOSA-N 0 0 440.546 3.813 50 0 IHAARN Cc1cccc(-n2ncc3c2nc(SCC(=O)N2CCCc4ccccc42)[nH]c3=O)c1 ZINC000009595027 132322627 /nfs/dbraw/zinc/32/26/27/132322627.db2.gz WMWXVUDUYPGXFJ-UHFFFAOYSA-N 0 0 431.521 3.901 50 0 IHAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCCc1ccc(Cl)cc1 ZINC000009594719 132322637 /nfs/dbraw/zinc/32/26/37/132322637.db2.gz IUTKHWJCXBGUBM-UHFFFAOYSA-N 0 0 442.972 3.571 50 0 IHAARN O=C(Oc1ccc2c(c1)OCO2)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000009635563 132324219 /nfs/dbraw/zinc/32/42/19/132324219.db2.gz MKJAIZZCMBSRAK-UHFFFAOYSA-N 0 0 448.884 3.769 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)NC3CCCC3)CC1)nnc2C ZINC000009642541 132324655 /nfs/dbraw/zinc/32/46/55/132324655.db2.gz VYJQMWUZTXYCKU-UHFFFAOYSA-N 0 0 433.560 3.515 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1N1CCOCC1 ZINC000009716522 132327207 /nfs/dbraw/zinc/32/72/07/132327207.db2.gz VQDJYAZPSWYCFY-UHFFFAOYSA-N 0 0 446.532 3.600 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3C[C@H](C(N)=O)Oc4ccccc43)cc12 ZINC000009782194 132328936 /nfs/dbraw/zinc/32/89/36/132328936.db2.gz SNACQKBTOAJEKF-HXUWFJFHSA-N 0 0 446.532 3.656 50 0 IHAARN Fc1ccccc1N1CCN(c2nc3ccccc3c3nc(-c4cccnc4)nn32)CC1 ZINC000009831081 132329548 /nfs/dbraw/zinc/32/95/48/132329548.db2.gz ZTTIDMDTWWBLJG-UHFFFAOYSA-N 0 0 425.471 3.805 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000009832058 132329566 /nfs/dbraw/zinc/32/95/66/132329566.db2.gz DIVHTTHQVPBVJQ-UHFFFAOYSA-N 0 0 444.926 3.945 50 0 IHAARN Cc1cc2sc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)nc2c(C)c1 ZINC000009848231 132330119 /nfs/dbraw/zinc/33/01/19/132330119.db2.gz BHLRWSVTHCFSPO-UHFFFAOYSA-N 0 0 435.597 3.873 50 0 IHAARN CC1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009873249 132330654 /nfs/dbraw/zinc/33/06/54/132330654.db2.gz SIWDBRCPQXIZLW-JOCHJYFZSA-N 0 0 445.560 3.854 50 0 IHAARN CCOc1ccc(NC(=O)c2ccccc2NCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000009945492 132332548 /nfs/dbraw/zinc/33/25/48/132332548.db2.gz AQOGRZLDOXHBCD-UHFFFAOYSA-N 0 0 444.491 3.735 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccccc2C)C1=O ZINC000010273809 132335521 /nfs/dbraw/zinc/33/55/21/132335521.db2.gz PNPFAACRLMCRCY-GOSISDBHSA-N 0 0 441.553 3.921 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@H](C)C3)c3ccccc3S2(=O)=O)cc1C ZINC000010273707 132335541 /nfs/dbraw/zinc/33/55/41/132335541.db2.gz NKQCNRGIQDZWBN-INIZCTEOSA-N 0 0 441.553 3.697 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccccc2C)C1=O ZINC000010273811 132335544 /nfs/dbraw/zinc/33/55/44/132335544.db2.gz PNPFAACRLMCRCY-SFHVURJKSA-N 0 0 441.553 3.921 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000010838305 132336494 /nfs/dbraw/zinc/33/64/94/132336494.db2.gz UZYWNEYTLLHPOS-ZDUSSCGKSA-N 0 0 443.525 3.572 50 0 IHAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000011697203 132338976 /nfs/dbraw/zinc/33/89/76/132338976.db2.gz VCCCXSBIPUJZDZ-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011772603 132339535 /nfs/dbraw/zinc/33/95/35/132339535.db2.gz IXMFQXRBQBDTRW-UHFFFAOYSA-N 0 0 442.804 3.791 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCSc2ccccc21 ZINC000012973984 132341117 /nfs/dbraw/zinc/34/11/17/132341117.db2.gz ZTKCYPAQRYWIGI-UHFFFAOYSA-N 0 0 438.521 3.504 50 0 IHAARN C[C@H](NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000013006043 132341721 /nfs/dbraw/zinc/34/17/21/132341721.db2.gz MAUUODQDDMVHIF-HNNXBMFYSA-N 0 0 435.446 3.737 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013550679 132349667 /nfs/dbraw/zinc/34/96/67/132349667.db2.gz KQRDEXHYAJAMFD-FQEVSTJZSA-N 0 0 432.455 3.544 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000022630031 518360193 /nfs/dbraw/zinc/36/01/93/518360193.db2.gz HKEWUPMHUXEFHN-UHFFFAOYSA-N 0 0 434.565 3.769 50 0 IHAARN CC(=O)c1ccc(OCC(=O)Nc2ccnn2Cc2cc(Br)cs2)cc1 ZINC000012807685 518392010 /nfs/dbraw/zinc/39/20/10/518392010.db2.gz ZTLHKYWPBOLGID-UHFFFAOYSA-N 0 0 434.315 3.976 50 0 IHAARN CC(=O)c1ccc(OC[C@@H](O)CSc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000012509604 518396970 /nfs/dbraw/zinc/39/69/70/518396970.db2.gz VHGOXUMELOLUGV-CQSZACIVSA-N 0 0 429.567 3.887 50 0 IHAARN CC(=O)c1cccc(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000012782592 518453072 /nfs/dbraw/zinc/45/30/72/518453072.db2.gz YUWUQWQQZIAIKY-FQEVSTJZSA-N 0 0 432.451 3.845 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000012531736 518468509 /nfs/dbraw/zinc/46/85/09/518468509.db2.gz XTOSHOULNMYGJN-HXUWFJFHSA-N 0 0 434.279 3.602 50 0 IHAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000012925679 518555575 /nfs/dbraw/zinc/55/55/75/518555575.db2.gz IIQRUEMJQYOHTK-UHFFFAOYSA-N 0 0 443.521 3.596 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245264371 519293213 /nfs/dbraw/zinc/29/32/13/519293213.db2.gz CYXIWMMECLFHTN-KCZVDYSFSA-N 0 0 448.519 3.687 50 0 IHAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(C)C ZINC000036030181 519472188 /nfs/dbraw/zinc/47/21/88/519472188.db2.gz ZWFPFRSGABKOTP-UHFFFAOYSA-N 0 0 425.982 3.923 50 0 IHAARN CC(C)Cn1c(CNC(=O)[C@H]2Cc3ccccc3O2)nnc1SCc1ccccc1F ZINC000012149917 519484677 /nfs/dbraw/zinc/48/46/77/519484677.db2.gz ULCFRUOGEDRQPD-HXUWFJFHSA-N 0 0 440.544 3.985 50 0 IHAARN CC(C)Cn1c2nnc(CCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000035528519 519490311 /nfs/dbraw/zinc/49/03/11/519490311.db2.gz TVRNMCXWUBGJTQ-UHFFFAOYSA-N 0 0 443.960 3.664 50 0 IHAARN CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(F)cc1 ZINC000036049023 519659597 /nfs/dbraw/zinc/65/95/97/519659597.db2.gz XOTGHVXUGIRNNA-WOJBJXKFSA-N 0 0 426.488 3.573 50 0 IHAARN CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000012859461 519667453 /nfs/dbraw/zinc/66/74/53/519667453.db2.gz WCHNOPAJQMZXDN-UHFFFAOYSA-N 0 0 447.926 3.666 50 0 IHAARN CC(C)N1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036024749 519667629 /nfs/dbraw/zinc/66/76/29/519667629.db2.gz RAPYWMCIEXAXDX-OAQYLSRUSA-N 0 0 425.960 3.724 50 0 IHAARN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000011870948 519686158 /nfs/dbraw/zinc/68/61/58/519686158.db2.gz QXVLBGOSZCARLE-HKUYNNGSSA-N 0 0 446.544 3.727 50 0 IHAARN CC(C)CCn1c2nnc(SCC(=O)Nc3ccccc3)n2c2ccsc2c1=O ZINC000035531663 519701085 /nfs/dbraw/zinc/70/10/85/519701085.db2.gz HEQCLYGPIWGWIF-UHFFFAOYSA-N 0 0 427.555 3.883 50 0 IHAARN CC(C)NC(=O)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000035447818 519710533 /nfs/dbraw/zinc/71/05/33/519710533.db2.gz NAFAXZBDRXFWBX-UHFFFAOYSA-N 0 0 430.350 3.880 50 0 IHAARN CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036041998 519714805 /nfs/dbraw/zinc/71/48/05/519714805.db2.gz SRKIOEPVPFUVFR-QZTJIDSGSA-N 0 0 448.441 3.815 50 0 IHAARN CC(C)NC(=O)c1ccc(CSc2nc(N3CCOCC3)cc(C(F)(F)F)n2)cc1 ZINC000036045168 519717046 /nfs/dbraw/zinc/71/70/46/519717046.db2.gz PHFPHZZJVGOVOM-UHFFFAOYSA-N 0 0 440.491 3.763 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012382623 519718474 /nfs/dbraw/zinc/71/84/74/519718474.db2.gz KYDSUHSDDRLAEF-UHFFFAOYSA-N 0 0 437.521 3.878 50 0 IHAARN CC(C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036014033 519719739 /nfs/dbraw/zinc/71/97/39/519719739.db2.gz OIILBFHEODWQAI-QFIPXVFZSA-N 0 0 439.987 3.971 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000021157543 519725310 /nfs/dbraw/zinc/72/53/10/519725310.db2.gz POFPUDLYBDZKKG-AWEZNQCLSA-N 0 0 440.887 3.977 50 0 IHAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 ZINC000012565088 519733343 /nfs/dbraw/zinc/73/33/43/519733343.db2.gz DZLYNHNFKFUYTN-UHFFFAOYSA-N 0 0 429.586 3.636 50 0 IHAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)[C@H](C(=O)N1CCCCC1)C2 ZINC000065167292 519734551 /nfs/dbraw/zinc/73/45/51/519734551.db2.gz NIKULSUTNZDTTH-QFIPXVFZSA-N 0 0 439.943 3.878 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC000012798348 519738031 /nfs/dbraw/zinc/73/80/31/519738031.db2.gz TZDRAJWMDHQOCU-IYBDPMFKSA-N 0 0 429.542 3.849 50 0 IHAARN CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012879939 519747912 /nfs/dbraw/zinc/74/79/12/519747912.db2.gz KGXYUDILJKUJDI-JOCHJYFZSA-N 0 0 440.515 3.877 50 0 IHAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)s1 ZINC000016047737 519753898 /nfs/dbraw/zinc/75/38/98/519753898.db2.gz BJMAZZHDDCMMED-UHFFFAOYSA-N 0 0 437.886 3.615 50 0 IHAARN CC(C)Oc1ccc(C(=O)NCCn2ncc3c2ncnc3NCc2ccc(F)cc2)cc1 ZINC000035590558 519778741 /nfs/dbraw/zinc/77/87/41/519778741.db2.gz LKGFRVUQHQZEQM-UHFFFAOYSA-N 0 0 448.502 3.795 50 0 IHAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000012138186 519778816 /nfs/dbraw/zinc/77/88/16/519778816.db2.gz BWCJLZMKBVTISN-SFHVURJKSA-N 0 0 441.553 3.509 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCCN(C)c1ccccc1 ZINC000012607370 519798515 /nfs/dbraw/zinc/79/85/15/519798515.db2.gz KRLQEPPWRPAQIY-HXUWFJFHSA-N 0 0 446.389 3.846 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)OCc1nc2ccccc2s1 ZINC000033527669 519821185 /nfs/dbraw/zinc/82/11/85/519821185.db2.gz LZUHAOOBEDVZMB-CBUFDYBVSA-N 0 0 430.551 3.954 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000021216824 519821287 /nfs/dbraw/zinc/82/12/87/519821287.db2.gz AIDOVNMVNDBNDN-INIZCTEOSA-N 0 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CCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054353 519896729 /nfs/dbraw/zinc/89/67/29/519896729.db2.gz ISMRBGBYWFUZOP-OALUTQOASA-N 0 0 430.932 3.739 50 0 IHAARN CCN(C(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1 ZINC000021871899 519922023 /nfs/dbraw/zinc/92/20/23/519922023.db2.gz MSWHLZYGTPVRKW-QGZVFWFLSA-N 0 0 428.554 3.509 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012796860 520123351 /nfs/dbraw/zinc/12/33/51/520123351.db2.gz LPGQMIBQTCTPKC-WBVHZDCISA-N 0 0 446.935 3.540 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012796851 520124765 /nfs/dbraw/zinc/12/47/65/520124765.db2.gz LPGQMIBQTCTPKC-NVXWUHKLSA-N 0 0 446.935 3.540 50 0 IHAARN CCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000020869185 520199531 /nfs/dbraw/zinc/19/95/31/520199531.db2.gz ZRUAMHRGOFYJLH-UHFFFAOYSA-N 0 0 436.580 3.939 50 0 IHAARN CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000012411227 520257357 /nfs/dbraw/zinc/25/73/57/520257357.db2.gz AUOVLTAQTPUHOW-IRBZQWRBSA-N 0 0 445.537 3.633 50 0 biogenic IHAARN CCCOc1ccc(CNC(=O)[C@H](CC)n2nc(CC)n3c4ccoc4cc3c2=O)cc1 ZINC000020863313 520362262 /nfs/dbraw/zinc/36/22/62/520362262.db2.gz QKLYLVSLXJPLAB-SFHVURJKSA-N 0 0 436.512 3.861 50 0 IHAARN CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(Br)s1 ZINC000022063284 520363149 /nfs/dbraw/zinc/36/31/49/520363149.db2.gz SVEFVEGRFZVUDZ-UHFFFAOYSA-N 0 0 436.375 3.863 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000021581014 520363393 /nfs/dbraw/zinc/36/33/93/520363393.db2.gz OAZHKDCOPOKRIR-UHFFFAOYSA-N 0 0 432.904 3.733 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)Cc1cc2c(cc1Br)OCCO2 ZINC000012871002 520369867 /nfs/dbraw/zinc/36/98/67/520369867.db2.gz SEZCGUUVUYHBJW-UHFFFAOYSA-N 0 0 435.318 3.690 50 0 IHAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000012706189 520461011 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CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054563 520677610 /nfs/dbraw/zinc/67/76/10/520677610.db2.gz XULYVVNYHDSFJE-PMACEKPBSA-N 0 0 428.504 3.615 50 0 IHAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1C ZINC000020895619 520779698 /nfs/dbraw/zinc/77/96/98/520779698.db2.gz VGBKGFBHHOEKCF-NRFANRHFSA-N 0 0 427.526 3.974 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1F ZINC000012797774 520783047 /nfs/dbraw/zinc/78/30/47/520783047.db2.gz NCTIWTFUZBEORD-UHFFFAOYSA-N 0 0 438.502 3.930 50 0 IHAARN CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)O[C@H](C)C2 ZINC000022192900 520794306 /nfs/dbraw/zinc/79/43/06/520794306.db2.gz SFEXKQFWOBWWIN-GFCCVEGCSA-N 0 0 430.423 3.758 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)cc2F)c1 ZINC000012747916 520795428 /nfs/dbraw/zinc/79/54/28/520795428.db2.gz ZZDANDVBKKWJHT-UHFFFAOYSA-N 0 0 432.876 3.666 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN(C)c2ccccc2)c1 ZINC000012608581 520795470 /nfs/dbraw/zinc/79/54/70/520795470.db2.gz HKQQWWLBXNBBOL-UHFFFAOYSA-N 0 0 437.993 3.627 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)O[C@@H](C)C2 ZINC000012906021 520795713 /nfs/dbraw/zinc/79/57/13/520795713.db2.gz TVLZHHOEXRCLDL-HNNXBMFYSA-N 0 0 432.542 3.690 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)O[C@H](C)C2 ZINC000012919891 520796253 /nfs/dbraw/zinc/79/62/53/520796253.db2.gz OZMWVSIPEZZJNT-GFCCVEGCSA-N 0 0 438.933 3.565 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 ZINC000012923356 520821580 /nfs/dbraw/zinc/82/15/80/520821580.db2.gz WCPTUHGSONZQJC-UHFFFAOYSA-N 0 0 449.960 3.750 50 0 IHAARN CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000021913035 520841660 /nfs/dbraw/zinc/84/16/60/520841660.db2.gz SJVDCHCPGXXBBQ-UHFFFAOYSA-N 0 0 426.538 3.969 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)Nc1nnc(N(C)Cc2ccccc2)s1)c1ccccc1 ZINC000020464508 520841969 /nfs/dbraw/zinc/84/19/69/520841969.db2.gz BWFQSJKAYQWYSN-GOSISDBHSA-N 0 0 439.541 3.991 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc(Cl)c1 ZINC000020932483 520859627 /nfs/dbraw/zinc/85/96/27/520859627.db2.gz QBDCQVNJVGLYCP-LJQANCHMSA-N 0 0 446.931 3.848 50 0 IHAARN CCCCOc1ccc(C(=O)N(CCOC)Cc2cccc(OS(=O)(=O)CC)c2)cc1 ZINC000035770072 520862131 /nfs/dbraw/zinc/86/21/31/520862131.db2.gz MSDRXPDEDAVKRU-UHFFFAOYSA-N 0 0 449.569 3.883 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 ZINC000012848832 520912922 /nfs/dbraw/zinc/91/29/22/520912922.db2.gz QUTGZPRINSRAQH-UHFFFAOYSA-N 0 0 447.582 3.652 50 0 IHAARN CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012801577 520914279 /nfs/dbraw/zinc/91/42/79/520914279.db2.gz GUBGSSBTGVNDMV-FCHUYYIVSA-N 0 0 445.991 3.912 50 0 IHAARN CCOC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)CC1 ZINC000032995960 520923619 /nfs/dbraw/zinc/92/36/19/520923619.db2.gz ILAPCBJVEPPZEV-UHFFFAOYSA-N 0 0 425.485 3.755 50 0 IHAARN CCOc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1OCC ZINC000012412203 520954481 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CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000022102847 522042954 /nfs/dbraw/zinc/04/29/54/522042954.db2.gz ZVVCGFNPWQUFIO-WWMOSFEBSA-N 0 0 443.544 3.571 50 0 IHAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1CCCc2ccccc21 ZINC000016942760 522055374 /nfs/dbraw/zinc/05/53/74/522055374.db2.gz UPOBWXLUWDSRFR-UHFFFAOYSA-N 0 0 448.548 3.596 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)cc1 ZINC000012389186 522057957 /nfs/dbraw/zinc/05/79/57/522057957.db2.gz PMUNYAGZXDHALZ-UHFFFAOYSA-N 0 0 430.501 3.976 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1F ZINC000012321091 522058383 /nfs/dbraw/zinc/05/83/83/522058383.db2.gz NFPZAJMFHYBWAX-UHFFFAOYSA-N 0 0 430.501 3.976 50 0 IHAARN CN(C)[C@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)c1ccccc1Cl ZINC000012730707 522070818 /nfs/dbraw/zinc/07/08/18/522070818.db2.gz QBCNLKLFELCTDR-OAHLLOKOSA-N 0 0 436.006 3.758 50 0 IHAARN COCCn1c2ncc(NCc3ccccc3)cc2c(NC(=O)c2ccco2)c1C(=O)OC ZINC000014537918 522076541 /nfs/dbraw/zinc/07/65/41/522076541.db2.gz BHXRVXAOTRZYEM-UHFFFAOYSA-N 0 0 448.479 3.927 50 0 IHAARN COCCn1c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605454 522076803 /nfs/dbraw/zinc/07/68/03/522076803.db2.gz WOXPUSXHQQZAJN-UHFFFAOYSA-N 0 0 439.415 3.557 50 0 IHAARN COCCn1c2ncccc2nc1[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000065284977 522077990 /nfs/dbraw/zinc/07/79/90/522077990.db2.gz SHKZYMNJIVJNOE-HNNXBMFYSA-N 0 0 434.418 3.606 50 0 IHAARN COc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(OC)c1Br ZINC000012626500 522124547 /nfs/dbraw/zinc/12/45/47/522124547.db2.gz BYKUZDOOXWDGHZ-UHFFFAOYSA-N 0 0 430.302 3.641 50 0 IHAARN COc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc(OC)c1Br ZINC000012768609 522151577 /nfs/dbraw/zinc/15/15/77/522151577.db2.gz QFQKYQPRXJUXJH-UHFFFAOYSA-N 0 0 437.681 3.953 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CN(Cc1ccccc1)CC2 ZINC000035456553 522173193 /nfs/dbraw/zinc/17/31/93/522173193.db2.gz ZZPJTQZPPLHDQR-GOSISDBHSA-N 0 0 448.542 3.522 50 0 IHAARN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 ZINC000012794552 522284736 /nfs/dbraw/zinc/28/47/36/522284736.db2.gz WWQATGHSPOPCHY-UHFFFAOYSA-N 0 0 430.555 3.797 50 0 IHAARN CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000012823784 522302420 /nfs/dbraw/zinc/30/24/20/522302420.db2.gz STAPDEZARXMFRP-UHFFFAOYSA-N 0 0 431.583 3.771 50 0 IHAARN COc1cc(CC(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000012816137 522313579 /nfs/dbraw/zinc/31/35/79/522313579.db2.gz DHOIYDFRBMQFHQ-UHFFFAOYSA-N 0 0 434.492 3.927 50 0 IHAARN COc1cc(CC(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC ZINC000021173358 522320934 /nfs/dbraw/zinc/32/09/34/522320934.db2.gz FAZCDGJVJQSDRC-HNNXBMFYSA-N 0 0 443.496 3.664 50 0 IHAARN COc1cc(CN(C)C(=O)C2CCN(C(=O)c3ccsc3)CC2)ccc1OC(F)F ZINC000040062671 522343515 /nfs/dbraw/zinc/34/35/15/522343515.db2.gz PIHCGDDSXWXKAB-UHFFFAOYSA-N 0 0 438.496 3.869 50 0 IHAARN COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(OC)cc1Br ZINC000012510393 522385875 /nfs/dbraw/zinc/38/58/75/522385875.db2.gz SNEIOHZXTLYJOG-UHFFFAOYSA-N 0 0 433.346 3.991 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000022421287 522433398 /nfs/dbraw/zinc/43/33/98/522433398.db2.gz SBKNQBVGMFPASY-RTBURBONSA-N 0 0 438.572 3.910 50 0 IHAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000035948650 522452797 /nfs/dbraw/zinc/45/27/97/522452797.db2.gz ZHRPWAHDQHSFGQ-LJQANCHMSA-N 0 0 449.438 3.597 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000035990232 522469482 /nfs/dbraw/zinc/46/94/82/522469482.db2.gz KMVYMYRXSNMKHD-UHFFFAOYSA-N 0 0 440.551 3.957 50 0 IHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000012914907 522496802 /nfs/dbraw/zinc/49/68/02/522496802.db2.gz QLRYYGKXNLAGJI-UHFFFAOYSA-N 0 0 442.730 3.864 50 0 IHAARN CCc1nc2sc([C@H](c3ccccc3Cl)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853585 522538450 /nfs/dbraw/zinc/53/84/50/522538450.db2.gz GVBFJLQNHSKMGR-INIZCTEOSA-N 0 0 434.949 3.687 50 0 IHAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 ZINC000012910978 522624954 /nfs/dbraw/zinc/62/49/54/522624954.db2.gz OCEHQWMPHIEARG-ZDUSSCGKSA-N 0 0 445.368 3.878 50 0 IHAARN COc1cc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc(OC)c1OC ZINC000012896101 522654708 /nfs/dbraw/zinc/65/47/08/522654708.db2.gz BIDGXEALWKKUQG-UHFFFAOYSA-N 0 0 427.453 3.713 50 0 biogenic IHAARN CN(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1cccc(F)c1 ZINC000012919821 522676595 /nfs/dbraw/zinc/67/65/95/522676595.db2.gz OQJMVHBSOSFEEM-UHFFFAOYSA-N 0 0 426.261 3.626 50 0 IHAARN CCc1nn2c(nnc3c2ccn(-c2ccccc2OC)c3=O)c1-c1ccc(OC)cc1 ZINC000020728617 522713358 /nfs/dbraw/zinc/71/33/58/522713358.db2.gz YVVHLJZQDFWQSP-UHFFFAOYSA-N 0 0 427.464 3.675 50 0 IHAARN COc1cc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020531188 522714410 /nfs/dbraw/zinc/71/44/10/522714410.db2.gz AHRJMNCFFHKQEE-NRFANRHFSA-N 0 0 446.503 3.918 50 0 IHAARN COCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000035769077 522748806 /nfs/dbraw/zinc/74/88/06/522748806.db2.gz QTPKPNRSTCYYTL-UHFFFAOYSA-N 0 0 430.552 3.646 50 0 IHAARN CN(CCCN1CCOCC1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000020543154 522751578 /nfs/dbraw/zinc/75/15/78/522751578.db2.gz WSYPRVPMEYHIGU-UHFFFAOYSA-N 0 0 427.932 3.866 50 0 IHAARN COc1cc(OC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Br ZINC000022942915 522794154 /nfs/dbraw/zinc/79/41/54/522794154.db2.gz GVGNBHPLNMTMFT-UHFFFAOYSA-N 0 0 449.345 3.513 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012800964 522816447 /nfs/dbraw/zinc/81/64/47/522816447.db2.gz YSNKKXBCHBQTBO-PDFOZTTASA-N 0 0 425.481 3.861 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(n3c4ncccc4nc3[C@H]3CCCO3)CC2)c1 ZINC000012151674 522845950 /nfs/dbraw/zinc/84/59/50/522845950.db2.gz CLRRNVLFAFYPTL-OAQYLSRUSA-N 0 0 436.512 3.777 50 0 IHAARN COCc1c(C(=O)N(C)Cc2nccs2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000015069692 522897341 /nfs/dbraw/zinc/89/73/41/522897341.db2.gz RQVNCQFIRVGOAT-UHFFFAOYSA-N 0 0 440.554 3.574 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)c12 ZINC000021881482 522921205 /nfs/dbraw/zinc/92/12/05/522921205.db2.gz FOMQTGLBOHSCJU-SFHVURJKSA-N 0 0 437.544 3.809 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)c12 ZINC000021881480 522923287 /nfs/dbraw/zinc/92/32/87/522923287.db2.gz FOMQTGLBOHSCJU-GOSISDBHSA-N 0 0 437.544 3.809 50 0 IHAARN COCCC(=O)Nc1cc(C(=O)NCCc2ccco2)cc2nc(-c3ccccc3)n(C)c21 ZINC000012212752 522957652 /nfs/dbraw/zinc/95/76/52/522957652.db2.gz TYWJDDRYELOCDA-UHFFFAOYSA-N 0 0 446.507 3.781 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c(OC)cc1Br ZINC000035678600 522962388 /nfs/dbraw/zinc/96/23/88/522962388.db2.gz HBBYUYGJQQMJMG-QGZVFWFLSA-N 0 0 439.306 3.580 50 0 IHAARN COC(=O)CCn1c(C)cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1C ZINC000012803629 523129601 /nfs/dbraw/zinc/12/96/01/523129601.db2.gz OZVYXISWTPMELS-UHFFFAOYSA-N 0 0 436.295 3.568 50 0 IHAARN COc1ccc(-c2ccc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)nn2)cc1 ZINC000023143182 523134071 /nfs/dbraw/zinc/13/40/71/523134071.db2.gz RPOBINVZGPGAQY-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(-c2cn3c(CC(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1 ZINC000022852762 523145267 /nfs/dbraw/zinc/14/52/67/523145267.db2.gz GFJWIKWIJXRXIR-UHFFFAOYSA-N 0 0 446.576 3.958 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O ZINC000011982246 523154750 /nfs/dbraw/zinc/15/47/50/523154750.db2.gz MLUJYWAWXAYCNH-RLWLMLJZSA-N 0 0 433.552 3.768 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC ZINC000012279504 523168743 /nfs/dbraw/zinc/16/87/43/523168743.db2.gz LYMOFICFGSMMEF-QGZVFWFLSA-N 0 0 435.528 3.889 50 0 IHAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012561273 523177143 /nfs/dbraw/zinc/17/71/43/523177143.db2.gz CDDIEKWFJARSBK-UHFFFAOYSA-N 0 0 443.960 3.618 50 0 IHAARN COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1OC ZINC000035460197 523185932 /nfs/dbraw/zinc/18/59/32/523185932.db2.gz BTJCZRUJXVKJPH-UHFFFAOYSA-N 0 0 447.495 3.783 50 0 IHAARN CCn1c(CN2CCOCC2)nnc1Sc1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000016651091 523194394 /nfs/dbraw/zinc/19/43/94/523194394.db2.gz IEUALNIITBWIJR-UHFFFAOYSA-N 0 0 447.564 3.790 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccnc1 ZINC000012851463 523225524 /nfs/dbraw/zinc/22/55/24/523225524.db2.gz RGUJVYLDPPILAR-UHFFFAOYSA-N 0 0 436.310 3.992 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2c3ccccc3[nH]c2c1=O ZINC000022627935 523228460 /nfs/dbraw/zinc/22/84/60/523228460.db2.gz FIYJYJXLWXDSKT-UHFFFAOYSA-N 0 0 438.509 3.646 50 0 IHAARN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccc(F)cc1 ZINC000035843562 523236628 /nfs/dbraw/zinc/23/66/28/523236628.db2.gz CPOKUSLAPHPVMX-QHCPKHFHSA-N 0 0 432.561 3.947 50 0 IHAARN COc1ccc(-c2nnc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)o2)cc1 ZINC000021368974 523261858 /nfs/dbraw/zinc/26/18/58/523261858.db2.gz STSNXNYWUWJYKB-UHFFFAOYSA-N 0 0 426.523 3.986 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc2c(c1)CCCC2 ZINC000022309459 523272469 /nfs/dbraw/zinc/27/24/69/523272469.db2.gz GVKZAZHOYCNTTC-UHFFFAOYSA-N 0 0 429.567 3.557 50 0 IHAARN COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000021647923 523304973 /nfs/dbraw/zinc/30/49/73/523304973.db2.gz ILTDRZPVPRNMNI-SFHVURJKSA-N 0 0 427.526 3.930 50 0 IHAARN COc1ccc(-n2c(C)nnc2SCc2nc(-c3cc(OC)ccc3OC)no2)cc1 ZINC000021168909 523313470 /nfs/dbraw/zinc/31/34/70/523313470.db2.gz VTFSANWJYKYTCL-UHFFFAOYSA-N 0 0 439.497 3.944 50 0 IHAARN COc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 ZINC000020597829 523337576 /nfs/dbraw/zinc/33/75/76/523337576.db2.gz QTYVXUKCPLWNBU-UHFFFAOYSA-N 0 0 435.427 3.991 50 0 IHAARN COc1ccc(-n2cnn(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)c2=S)cc1 ZINC000012564549 523340001 /nfs/dbraw/zinc/34/00/01/523340001.db2.gz LLJYTXHCUWVFHG-UHFFFAOYSA-N 0 0 441.532 3.533 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3cc(OC)ccc3OC)c3ccccc3c2=O)cc1 ZINC000020804746 523343681 /nfs/dbraw/zinc/34/36/81/523343681.db2.gz UNPWXYRVEDLMNA-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000021883649 523352726 /nfs/dbraw/zinc/35/27/26/523352726.db2.gz OHCHKWAYXMJTAO-UHFFFAOYSA-N 0 0 427.570 3.912 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)COc1nc(C)nc2oc(C)c(C)c21 ZINC000032996895 523496524 /nfs/dbraw/zinc/49/65/24/523496524.db2.gz RTCUAUAHPVCXLD-UHFFFAOYSA-N 0 0 434.290 3.614 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cccc(F)c4)CC3)ccc21 ZINC000021939004 523496567 /nfs/dbraw/zinc/49/65/67/523496567.db2.gz ADIBOEMTYACPBR-UHFFFAOYSA-N 0 0 444.532 3.729 50 0 IHAARN COCCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)c1C ZINC000013113517 523500305 /nfs/dbraw/zinc/50/03/05/523500305.db2.gz IJKMGPIPUUQRIM-UHFFFAOYSA-N 0 0 428.558 3.921 50 0 IHAARN COC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccco1 ZINC000035844958 523529675 /nfs/dbraw/zinc/52/96/75/523529675.db2.gz LJFGPGMJVBPXMK-HXUWFJFHSA-N 0 0 438.524 3.816 50 0 IHAARN CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012456432 523586550 /nfs/dbraw/zinc/58/65/50/523586550.db2.gz SLEBBLOPUACUHD-YIXXDRMTSA-N 0 0 446.547 3.540 50 0 IHAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1cccs1 ZINC000035765873 523645832 /nfs/dbraw/zinc/64/58/32/523645832.db2.gz OIBMIVUAXNOSGM-UHFFFAOYSA-N 0 0 426.538 3.967 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCOC2CCCCC2)cc1 ZINC000021971839 523649785 /nfs/dbraw/zinc/64/97/85/523649785.db2.gz SCTJRYOCMDLRJU-UHFFFAOYSA-N 0 0 430.570 3.981 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035962571 523651002 /nfs/dbraw/zinc/65/10/02/523651002.db2.gz UTYCVSHSRZRNFS-XMMPIXPASA-N 0 0 449.551 3.648 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)C1CCC1 ZINC000035961567 523653396 /nfs/dbraw/zinc/65/33/96/523653396.db2.gz ALDVZVTUSFRVSR-HXUWFJFHSA-N 0 0 443.544 3.840 50 0 IHAARN CN(c1ccccc1)c1nc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000033287408 523653597 /nfs/dbraw/zinc/65/35/97/523653597.db2.gz 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COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1Br ZINC000012404247 523757657 /nfs/dbraw/zinc/75/76/57/523757657.db2.gz QZYFAMZMHXYRSN-INIZCTEOSA-N 0 0 433.302 3.619 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)c2C)cc1 ZINC000041089623 523757766 /nfs/dbraw/zinc/75/77/66/523757766.db2.gz ZDLQDBKFYQOCLI-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN CC[C@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccccc1 ZINC000012418892 523763979 /nfs/dbraw/zinc/76/39/79/523763979.db2.gz XWPPZAWXDBTKTQ-FQEVSTJZSA-N 0 0 436.943 3.728 50 0 IHAARN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013121262 523809601 /nfs/dbraw/zinc/80/96/01/523809601.db2.gz BDWVPRQETKWSPL-KRWDZBQOSA-N 0 0 432.492 3.691 50 0 IHAARN CCc1cc2c(cc1S(=O)(=O)NCc1nc3cc(C)ccc3[nH]1)[nH]c1c2C(=O)CCC1 ZINC000020990594 523845464 /nfs/dbraw/zinc/84/54/64/523845464.db2.gz IHCKKCOFIDCMMC-UHFFFAOYSA-N 0 0 436.537 3.913 50 0 IHAARN CCc1ccc(-c2noc(CCC(=O)N[C@@H](c3nccn3C)c3cccc(OC)c3)n2)cc1 ZINC000012737019 523863305 /nfs/dbraw/zinc/86/33/05/523863305.db2.gz IOWFJJFGMYCROJ-HSZRJFAPSA-N 0 0 445.523 3.880 50 0 IHAARN CCc1ccc(-c2noc(-c3cn(C)c4cc(N5CCOCC5)c(F)cc4c3=O)n2)cc1 ZINC000033255975 523863455 /nfs/dbraw/zinc/86/34/55/523863455.db2.gz DEUXKPUYVJNGBH-UHFFFAOYSA-N 0 0 434.471 3.794 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000033277689 523865910 /nfs/dbraw/zinc/86/59/10/523865910.db2.gz XKWXHIXSBWHNHI-UHFFFAOYSA-N 0 0 448.479 3.660 50 0 IHAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c(OC)c1 ZINC000016021711 523881121 /nfs/dbraw/zinc/88/11/21/523881121.db2.gz JHRHMQMLZZDALR-WMZHIEFXSA-N 0 0 434.473 3.846 50 0 IHAARN COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1 ZINC000012705093 523890438 /nfs/dbraw/zinc/89/04/38/523890438.db2.gz OWWJPYVPGRMJNB-UHFFFAOYSA-N 0 0 446.551 3.918 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000041097963 523895671 /nfs/dbraw/zinc/89/56/71/523895671.db2.gz KXGSRTPKDUFEGG-HNNXBMFYSA-N 0 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COc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1 ZINC000012926947 523992030 /nfs/dbraw/zinc/99/20/30/523992030.db2.gz NVSMPQDYMCRZDZ-UHFFFAOYSA-N 0 0 437.462 3.993 50 0 IHAARN COc1ccc(CN(C)C(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1F ZINC000012876548 523994279 /nfs/dbraw/zinc/99/42/79/523994279.db2.gz BBKFUQNUISWHMW-UHFFFAOYSA-N 0 0 436.483 3.802 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c1C ZINC000036003473 524023276 /nfs/dbraw/zinc/02/32/76/524023276.db2.gz AKGTZWMBRRLJFG-MRXNPFEDSA-N 0 0 438.480 3.934 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)NC(C)(C)C)cc1 ZINC000036048499 524039180 /nfs/dbraw/zinc/03/91/80/524039180.db2.gz CGSCIHOMHDKXHC-OAQYLSRUSA-N 0 0 441.572 3.910 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000035530101 524045580 /nfs/dbraw/zinc/04/55/80/524045580.db2.gz MSMHDHYMTXJWRC-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000035561970 524046964 /nfs/dbraw/zinc/04/69/64/524046964.db2.gz CZLNRQZNMQUQMV-UHFFFAOYSA-N 0 0 435.524 3.744 50 0 IHAARN COc1ccc(CNC(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000012183048 524048434 /nfs/dbraw/zinc/04/84/34/524048434.db2.gz OHXNOLIVQRBCOB-HSZRJFAPSA-N 0 0 430.932 3.645 50 0 IHAARN CCc1ccc2nc(N(CCN3CCOCC3)C(=O)CCOc3ccccc3)sc2c1 ZINC000020743122 524059919 /nfs/dbraw/zinc/05/99/19/524059919.db2.gz CEEYILCVLKHFND-UHFFFAOYSA-N 0 0 439.581 3.993 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c(OC)c1 ZINC000035397966 524062823 /nfs/dbraw/zinc/06/28/23/524062823.db2.gz UIZXCGAOEDJSPA-HXUWFJFHSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(OC)cc3OC)c2N)cc1 ZINC000012416105 524068541 /nfs/dbraw/zinc/06/85/41/524068541.db2.gz DTMJAWZRSCQODE-UHFFFAOYSA-N 0 0 431.539 3.806 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc(OC)cc(OC)c2)s1 ZINC000012442925 524075346 /nfs/dbraw/zinc/07/53/46/524075346.db2.gz UPQKSHMMZOOZRJ-UHFFFAOYSA-N 0 0 443.550 3.918 50 0 IHAARN COc1cccc([C@@H](NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c2nccn2C)c1 ZINC000012535629 524099172 /nfs/dbraw/zinc/09/91/72/524099172.db2.gz KXPHJIXPHMVVFB-XMMPIXPASA-N 0 0 429.524 3.680 50 0 IHAARN Cc1ccc2sc(N(CCN3CCOCC3)C(=O)COc3ccccc3)nc2c1C ZINC000020744050 524099925 /nfs/dbraw/zinc/09/99/25/524099925.db2.gz ZERQTWDPBNGRSY-UHFFFAOYSA-N 0 0 425.554 3.657 50 0 IHAARN COc1ccc(COC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000012772992 524117367 /nfs/dbraw/zinc/11/73/67/524117367.db2.gz JAIIBSITPMLBOS-HXUWFJFHSA-N 0 0 434.467 3.789 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c1 ZINC000020582683 524138991 /nfs/dbraw/zinc/13/89/91/524138991.db2.gz FVHWZZIVKCUYLS-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)N3CCOc4ccc(Cl)cc4C3)CCC(=O)N2)cc1 ZINC000015004098 524144621 /nfs/dbraw/zinc/14/46/21/524144621.db2.gz ZFAHXAMWXISQRQ-DEOSSOPVSA-N 0 0 442.943 3.741 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)N[C@@H](C)Cc3cccnc3)CCC(=O)N2)c2ccccc12 ZINC000012247506 524145078 /nfs/dbraw/zinc/14/50/78/524145078.db2.gz OZYKBNVCYTZMGX-UZTOHYMASA-N 0 0 445.563 3.962 50 0 IHAARN Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)n1Cc1ccco1 ZINC000016685105 524196366 /nfs/dbraw/zinc/19/63/66/524196366.db2.gz JSENGOQSZSUYQT-MRXNPFEDSA-N 0 0 435.480 3.667 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020606854 524207188 /nfs/dbraw/zinc/20/71/88/524207188.db2.gz VPMVSAYZLUDPOX-UHFFFAOYSA-N 0 0 425.358 3.607 50 0 IHAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccccn3)C3CC3)no2)c(C)c1 ZINC000036015752 524209447 /nfs/dbraw/zinc/20/94/47/524209447.db2.gz ITGAQQHFKBGCBE-UHFFFAOYSA-N 0 0 432.524 3.973 50 0 IHAARN C[C@@H](C(=O)NCc1ccccc1F)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937531 524214561 /nfs/dbraw/zinc/21/45/61/524214561.db2.gz HINRCHCIJVOFBE-KRWDZBQOSA-N 0 0 443.544 3.832 50 0 IHAARN COc1ccc(Cl)cc1N1CCN2c3ccccc3C[C@H](C(=O)NCC3CC3)[C@@H]2C1 ZINC000035870000 524219290 /nfs/dbraw/zinc/21/92/90/524219290.db2.gz AXHUCIFIDUFAFQ-UGKGYDQZSA-N 0 0 425.960 3.742 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012440576 524222514 /nfs/dbraw/zinc/22/25/14/524222514.db2.gz MCTGWYJYDYJJKJ-QGZVFWFLSA-N 0 0 449.979 3.709 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCn2ccnc2C)C1 ZINC000012445779 524222888 /nfs/dbraw/zinc/22/28/88/524222888.db2.gz PWUAFKUVKLHFPN-QGZVFWFLSA-N 0 0 432.952 3.901 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000022732484 524230455 /nfs/dbraw/zinc/23/04/55/524230455.db2.gz MLGDGCUKWURJEZ-CQSZACIVSA-N 0 0 428.963 3.982 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1cccs1 ZINC000251521005 524260378 /nfs/dbraw/zinc/26/03/78/524260378.db2.gz AECXIYVMYPQEML-LPHOPBHVSA-N 0 0 433.599 3.697 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1cccc(C)c1)c(C)n2C ZINC000035448421 524269859 /nfs/dbraw/zinc/26/98/59/524269859.db2.gz ZKYADCYZDXHDOD-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000015967967 524274138 /nfs/dbraw/zinc/27/41/38/524274138.db2.gz IVFPMSTYJNTMRL-UHFFFAOYSA-N 0 0 440.503 3.713 50 0 IHAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000012136952 524303832 /nfs/dbraw/zinc/30/38/32/524303832.db2.gz SPZURNSBFLEUJA-UHFFFAOYSA-N 0 0 429.523 3.824 50 0 IHAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCN1CCOCC1 ZINC000021798184 524304076 /nfs/dbraw/zinc/30/40/76/524304076.db2.gz YYVDLTDECNLCFR-UHFFFAOYSA-N 0 0 429.524 3.840 50 0 IHAARN COc1ccccc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012306946 524339035 /nfs/dbraw/zinc/33/90/35/524339035.db2.gz PCLBUNXEOZOIAG-UHFFFAOYSA-N 0 0 435.568 3.676 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000035189701 524343705 /nfs/dbraw/zinc/34/37/05/524343705.db2.gz GARXQCGBCGZVEC-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)cc1 ZINC000041158175 524357771 /nfs/dbraw/zinc/35/77/71/524357771.db2.gz SZOILHLSZDUPLU-MRXNPFEDSA-N 0 0 438.505 3.924 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015831306 524359711 /nfs/dbraw/zinc/35/97/11/524359711.db2.gz ZZMVVEVBUCEGMV-LJQANCHMSA-N 0 0 439.533 3.548 50 0 IHAARN COc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000021167132 524367169 /nfs/dbraw/zinc/36/71/69/524367169.db2.gz JQQPARHWKJALME-QZTJIDSGSA-N 0 0 440.949 3.763 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)[C@@H]1C ZINC000020562912 524395623 /nfs/dbraw/zinc/39/56/23/524395623.db2.gz ZAAGKHQMZFXWJY-OPYAIIAOSA-N 0 0 431.602 3.757 50 0 IHAARN Cc1cccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000015722511 524416014 /nfs/dbraw/zinc/41/60/14/524416014.db2.gz DSKUEBKGIQTJKM-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(I)c3)CC2=O)cc1 ZINC000015305051 524478892 /nfs/dbraw/zinc/47/88/92/524478892.db2.gz DHZKSZJQRUTSJQ-HNNXBMFYSA-N 0 0 434.277 3.587 50 0 IHAARN Cc1cccc(Cn2cc3c(=O)n(CC(=O)NC4CCCC4)nc-3c3cc(F)ccc32)c1 ZINC000020937112 524495606 /nfs/dbraw/zinc/49/56/06/524495606.db2.gz WVEQUOSIZAXZKV-UHFFFAOYSA-N 0 0 432.499 3.857 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1 ZINC000012414596 524515661 /nfs/dbraw/zinc/51/56/61/524515661.db2.gz MRCZKPIPABRUFN-HNNXBMFYSA-N 0 0 438.509 3.638 50 0 IHAARN Cc1ccc(CNC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)cc1 ZINC000021713632 524522054 /nfs/dbraw/zinc/52/20/54/524522054.db2.gz RCBJCEWPDQKKNG-UHFFFAOYSA-N 0 0 440.551 3.756 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCCC[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012642867 524526762 /nfs/dbraw/zinc/52/67/62/524526762.db2.gz RBUGVSWPSGPPPQ-MRXNPFEDSA-N 0 0 436.961 3.945 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1Cl ZINC000012371114 524528059 /nfs/dbraw/zinc/52/80/59/524528059.db2.gz PVGPPKLRMJFGPD-UHFFFAOYSA-N 0 0 439.899 3.538 50 0 biogenic,in-vitro IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1C ZINC000035405185 524557644 /nfs/dbraw/zinc/55/76/44/524557644.db2.gz SCRMRQWFLHCUIQ-UHFFFAOYSA-N 0 0 447.626 3.502 50 0 IHAARN Cc1cc(C)n2nc(C(=O)NC[C@@H]3Cc4cc(Cl)cc(-c5ccncc5)c4O3)cc2n1 ZINC000012127280 524566056 /nfs/dbraw/zinc/56/60/56/524566056.db2.gz PNKFQSSDFQWSFA-SFHVURJKSA-N 0 0 433.899 3.795 50 0 IHAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c(OC)c1 ZINC000021156666 524580223 /nfs/dbraw/zinc/58/02/23/524580223.db2.gz MGXYETNGJVPABG-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033128052 524585666 /nfs/dbraw/zinc/58/56/66/524585666.db2.gz VKGVGMKLTWZSCO-MRXNPFEDSA-N 0 0 439.537 3.986 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000012766492 524593025 /nfs/dbraw/zinc/59/30/25/524593025.db2.gz INAZIBBFMXUING-UHFFFAOYSA-N 0 0 448.489 3.788 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C ZINC000022357523 524595817 /nfs/dbraw/zinc/59/58/17/524595817.db2.gz VHGGPFCATDKJNU-GOSISDBHSA-N 0 0 428.964 3.540 50 0 IHAARN COc1ccccc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)cc3C)c2c1=O ZINC000022768158 524606834 /nfs/dbraw/zinc/60/68/34/524606834.db2.gz HOZKUPHOZPNDAV-UHFFFAOYSA-N 0 0 443.507 3.724 50 0 IHAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c(OC)c1 ZINC000012621361 524608709 /nfs/dbraw/zinc/60/87/09/524608709.db2.gz AXMNGPKULOUITJ-JOCHJYFZSA-N 0 0 442.537 3.799 50 0 IHAARN COc1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(OC)c1 ZINC000021660149 524628989 /nfs/dbraw/zinc/62/89/89/524628989.db2.gz QLDSTMOBLQMGIJ-UHFFFAOYSA-N 0 0 434.452 3.683 50 0 IHAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=S)NC(C)C)C3CC3)n2C(C)C)cc1 ZINC000036040753 524638709 /nfs/dbraw/zinc/63/87/09/524638709.db2.gz WHENVCQIRMLGTE-UHFFFAOYSA-N 0 0 448.658 3.994 50 0 IHAARN C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@H](C)O1 ZINC000012778401 524644088 /nfs/dbraw/zinc/64/40/88/524644088.db2.gz CUKXQQBGRAJYOS-GJZGRUSLSA-N 0 0 430.574 3.989 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O ZINC000012536068 524645227 /nfs/dbraw/zinc/64/52/27/524645227.db2.gz HMUBOYOKQOUNST-UHFFFAOYSA-N 0 0 442.468 3.689 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2-c2ccccc2C)n1 ZINC000016669612 524651207 /nfs/dbraw/zinc/65/12/07/524651207.db2.gz PDBBWSQSUDLEQA-UHFFFAOYSA-N 0 0 434.529 3.696 50 0 IHAARN C[C@@H](CNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000021651120 524657242 /nfs/dbraw/zinc/65/72/42/524657242.db2.gz DJTJFUFDVUQLGY-WEZXKFLESA-N 0 0 446.576 3.832 50 0 IHAARN COc1ccc(NC2(c3nnnn3-c3ccc(OC)c(OC)c3)CCCC2)cc1OC ZINC000035622290 524675085 /nfs/dbraw/zinc/67/50/85/524675085.db2.gz VLDWQBHKDANIML-UHFFFAOYSA-N 0 0 425.489 3.578 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccccn3)c2)cc1 ZINC000012584515 524691354 /nfs/dbraw/zinc/69/13/54/524691354.db2.gz RZYZGOILNAHOTB-MRXNPFEDSA-N 0 0 425.510 3.690 50 0 IHAARN C[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc2ccccc2n1C(F)F ZINC000012579300 524719711 /nfs/dbraw/zinc/71/97/11/524719711.db2.gz ZLBHHBKBOHXXCD-AWEZNQCLSA-N 0 0 448.495 3.505 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000001115321 524734055 /nfs/dbraw/zinc/73/40/55/524734055.db2.gz INPXQJKPZWKHDR-UHFFFAOYSA-N 0 0 435.796 3.983 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000021867009 524734073 /nfs/dbraw/zinc/73/40/73/524734073.db2.gz KOGGYCHHESNDLT-GOSISDBHSA-N 0 0 439.781 3.973 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000021867013 524735148 /nfs/dbraw/zinc/73/51/48/524735148.db2.gz KOGGYCHHESNDLT-SFHVURJKSA-N 0 0 439.781 3.973 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000035561951 524832850 /nfs/dbraw/zinc/83/28/50/524832850.db2.gz BCXVEQIEWDZQST-QGZVFWFLSA-N 0 0 449.551 3.990 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012869119 524904426 /nfs/dbraw/zinc/90/44/26/524904426.db2.gz UGISWLYRFQZJKO-UHFFFAOYSA-N 0 0 428.872 3.885 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2cccc3[nH]ccc32)c1 ZINC000011842532 524926544 /nfs/dbraw/zinc/92/65/44/524926544.db2.gz OXWXNJKFTSVDKO-UHFFFAOYSA-N 0 0 447.535 3.886 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 ZINC000035428423 524935270 /nfs/dbraw/zinc/93/52/70/524935270.db2.gz SYAJYRWZUCTGSF-UHFFFAOYSA-N 0 0 449.463 3.509 50 0 IHAARN COc1ccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2C)cc1 ZINC000012586501 524948924 /nfs/dbraw/zinc/94/89/24/524948924.db2.gz GBSDMOCMDKPCOL-UHFFFAOYSA-N 0 0 440.569 3.982 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nnc(-c3ccncc3)o2)no1 ZINC000021721892 524988079 /nfs/dbraw/zinc/98/80/79/524988079.db2.gz VWYYFXUZMSFQIJ-UHFFFAOYSA-N 0 0 440.460 3.826 50 0 IHAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc3c(c1)OCO3)c(C)n2C ZINC000035448744 525003484 /nfs/dbraw/zinc/00/34/84/525003484.db2.gz PPPZGKPSGFVWOQ-UHFFFAOYSA-N 0 0 444.491 3.617 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O ZINC000012569319 525015551 /nfs/dbraw/zinc/01/55/51/525015551.db2.gz VPKNVWDSNHKDJB-UHFFFAOYSA-N 0 0 446.525 3.516 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCCc1ccccc1 ZINC000012754384 525024998 /nfs/dbraw/zinc/02/49/98/525024998.db2.gz ZFDHKMIYGJBBQA-UHFFFAOYSA-N 0 0 448.610 3.784 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@@H](C)O1 ZINC000022302109 525028528 /nfs/dbraw/zinc/02/85/28/525028528.db2.gz GGOLRGZAHBNXFS-ZIAGYGMSSA-N 0 0 432.571 3.517 50 0 IHAARN Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1ccc(Cl)c(Cl)c1)c2=O ZINC000012237654 525033874 /nfs/dbraw/zinc/03/38/74/525033874.db2.gz QWASHQHFSLVJSE-UHFFFAOYSA-N 0 0 428.279 3.836 50 0 IHAARN Cc1ccc(NC(=O)CCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012549682 525035438 /nfs/dbraw/zinc/03/54/38/525035438.db2.gz YHAAWCNWMHMMBD-UHFFFAOYSA-N 0 0 434.583 3.527 50 0 IHAARN COc1ncccc1C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000011996324 525039476 /nfs/dbraw/zinc/03/94/76/525039476.db2.gz GECKCHASEMIRBN-OAHLLOKOSA-N 0 0 426.469 3.894 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1OC ZINC000001078146 525039635 /nfs/dbraw/zinc/03/96/35/525039635.db2.gz OEXKMFRBWVFHMG-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c(C)c1 ZINC000010186698 525079314 /nfs/dbraw/zinc/07/93/14/525079314.db2.gz RNXCKKNEJUPICC-UHFFFAOYSA-N 0 0 434.565 3.913 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(COCC(F)(F)C(F)F)cc2)cc1OC ZINC000012371355 525079963 /nfs/dbraw/zinc/07/99/63/525079963.db2.gz GHKVVLFTTKHPDJ-UHFFFAOYSA-N 0 0 437.411 3.922 50 0 IHAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035891289 525081359 /nfs/dbraw/zinc/08/13/59/525081359.db2.gz CHGCYBMSRRRFQV-UHFFFAOYSA-N 0 0 446.935 3.755 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013410 525083822 /nfs/dbraw/zinc/08/38/22/525083822.db2.gz ZXWAPYICBSDXPT-UHFFFAOYSA-N 0 0 444.513 3.802 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1C ZINC000035532894 525083966 /nfs/dbraw/zinc/08/39/66/525083966.db2.gz KZGUYCWNFFCXQR-UHFFFAOYSA-N 0 0 431.612 3.987 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000021268540 525101071 /nfs/dbraw/zinc/10/10/71/525101071.db2.gz SILRDHYVZKQFAU-OLZOCXBDSA-N 0 0 448.292 3.623 50 0 IHAARN Cc1cc(NC(=O)CCc2nc(CSc3nnc(-c4ccc(C)cc4)o3)no2)no1 ZINC000021721781 525130562 /nfs/dbraw/zinc/13/05/62/525130562.db2.gz ADKOPDVOIPXOAQ-UHFFFAOYSA-N 0 0 426.458 3.588 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC[C@@H]1CCCO1 ZINC000021859722 525134332 /nfs/dbraw/zinc/13/43/32/525134332.db2.gz CZJBUFYZSRRPKD-HFZDXXHNSA-N 0 0 431.536 3.660 50 0 IHAARN C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 ZINC000012771094 525161076 /nfs/dbraw/zinc/16/10/76/525161076.db2.gz APYQSCUMYAIFRY-LAJNKCICSA-N 0 0 432.307 3.780 50 0 IHAARN Cc1cc(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)ccc1Br ZINC000033275209 525167600 /nfs/dbraw/zinc/16/76/00/525167600.db2.gz DHUQYKRGMNOCOS-UHFFFAOYSA-N 0 0 441.329 3.982 50 0 IHAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1Cl ZINC000012755620 525171545 /nfs/dbraw/zinc/17/15/45/525171545.db2.gz OCOIMTNXWJMRQU-GFCCVEGCSA-N 0 0 448.397 3.832 50 0 IHAARN COc1ccc([C@@H](CNC(=O)CCC(=O)c2cc(C)sc2C)N2CCOCC2)cc1 ZINC000012686606 525182997 /nfs/dbraw/zinc/18/29/97/525182997.db2.gz KJNKOPYFXGONSV-OAQYLSRUSA-N 0 0 430.570 3.526 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)s1 ZINC000012883418 525199067 /nfs/dbraw/zinc/19/90/67/525199067.db2.gz QGHLDEZWOJARMG-UHFFFAOYSA-N 0 0 441.987 3.869 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000009661091 525208487 /nfs/dbraw/zinc/20/84/87/525208487.db2.gz UHJKOVQWMFNHJY-QGZVFWFLSA-N 0 0 439.479 3.716 50 0 IHAARN Cc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000015835806 525217102 /nfs/dbraw/zinc/21/71/02/525217102.db2.gz BILMFPOBGJVTAH-UHFFFAOYSA-N 0 0 449.576 3.539 50 0 IHAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000012383996 525227595 /nfs/dbraw/zinc/22/75/95/525227595.db2.gz YOUQGZZYVHMNRN-ZDUSSCGKSA-N 0 0 429.933 3.690 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035961715 525240435 /nfs/dbraw/zinc/24/04/35/525240435.db2.gz WRVUISMNEDEXFH-NRFANRHFSA-N 0 0 426.492 3.562 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCC2)cc1 ZINC000035946441 525241341 /nfs/dbraw/zinc/24/13/41/525241341.db2.gz IFLMSXJAQTYVGV-NRFANRHFSA-N 0 0 425.916 3.943 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1=O ZINC000012785901 525242196 /nfs/dbraw/zinc/24/21/96/525242196.db2.gz SJNOFRGPJPHHLT-RCZVLFRGSA-N 0 0 447.560 3.897 50 0 IHAARN Cc1ccc(N=C2NN=C(c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CS2)cc1C ZINC000012608843 525269615 /nfs/dbraw/zinc/26/96/15/525269615.db2.gz MJTMZFUFTBFYNL-OAHLLOKOSA-N 0 0 428.583 3.933 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(-n2cncn2)cc1 ZINC000012913534 525289567 /nfs/dbraw/zinc/28/95/67/525289567.db2.gz PANVOYNHFHPEQS-XLIONFOSSA-N 0 0 425.492 3.651 50 0 IHAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(OC(F)F)cc1 ZINC000012825365 525314140 /nfs/dbraw/zinc/31/41/40/525314140.db2.gz XWZLLMKXJDKDBK-LLVKDONJSA-N 0 0 432.876 3.683 50 0 IHAARN Cc1ccccc1OCc1nnc(SCc2cc(=O)n3nc(C(C)C)sc3n2)n1C ZINC000021052551 525317824 /nfs/dbraw/zinc/31/78/24/525317824.db2.gz XKGBZKCDBHTOOF-UHFFFAOYSA-N 0 0 442.570 3.583 50 0 IHAARN Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(C)n2)cc1 ZINC000021793991 525323172 /nfs/dbraw/zinc/32/31/72/525323172.db2.gz DKCIMYFULQLJKE-UHFFFAOYSA-N 0 0 431.496 3.528 50 0 IHAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)o1 ZINC000012607095 525335007 /nfs/dbraw/zinc/33/50/07/525335007.db2.gz RECYCGWDQJUZQQ-HYKPEHDJSA-N 0 0 437.540 3.728 50 0 IHAARN COc1ccc([C@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccccc2)cc1 ZINC000015412894 525383569 /nfs/dbraw/zinc/38/35/69/525383569.db2.gz YMNPAZODANDZFH-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 IHAARN Cc1ccc(OCC(=O)NCCOc2ccccc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000015304529 525386720 /nfs/dbraw/zinc/38/67/20/525386720.db2.gz RWWVTPMPPPWKFW-UHFFFAOYSA-N 0 0 436.899 3.956 50 0 IHAARN Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012920259 525407905 /nfs/dbraw/zinc/40/79/05/525407905.db2.gz QADZXSYUYNKTKN-SFHVURJKSA-N 0 0 426.582 3.762 50 0 IHAARN Cc1ccc(OCc2nn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1C ZINC000012462265 525449738 /nfs/dbraw/zinc/44/97/38/525449738.db2.gz VRIHDHNNTBPHFK-CZTZKLFOSA-N 0 0 437.521 3.855 50 0 IHAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000021804371 525450794 /nfs/dbraw/zinc/45/07/94/525450794.db2.gz SWDHTJINIIUHFC-UHFFFAOYSA-N 0 0 442.932 3.624 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nc(C)n2)cc1 ZINC000012225148 525471996 /nfs/dbraw/zinc/47/19/96/525471996.db2.gz PEHKVZXKGIPYTH-UHFFFAOYSA-N 0 0 442.516 3.536 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)c2oc1-c1ccccc1 ZINC000012999835 525522078 /nfs/dbraw/zinc/52/20/78/525522078.db2.gz QPMAPMDEZSLEIM-QFIPXVFZSA-N 0 0 434.536 3.855 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000012852913 525523368 /nfs/dbraw/zinc/52/33/68/525523368.db2.gz JWZZQVJFNWLMEB-UHFFFAOYSA-N 0 0 432.973 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)c(C)c1 ZINC000035596934 525534117 /nfs/dbraw/zinc/53/41/17/525534117.db2.gz IGHMWARRMNBHJW-GOSISDBHSA-N 0 0 429.517 3.985 50 0 IHAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(F)cc2F)c(C)n1C ZINC000021030214 525568750 /nfs/dbraw/zinc/56/87/50/525568750.db2.gz OGTKTVUTBXVRGS-UHFFFAOYSA-N 0 0 425.501 3.593 50 0 IHAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)n1C ZINC000020989969 525573338 /nfs/dbraw/zinc/57/33/38/525573338.db2.gz IMIFLPBJHATMHH-MRXNPFEDSA-N 0 0 429.586 3.798 50 0 IHAARN Cc1c(C(=O)N2CCCN(C=O)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000012132019 525574928 /nfs/dbraw/zinc/57/49/28/525574928.db2.gz YVWRNGOQHMMTEX-UHFFFAOYSA-N 0 0 427.574 3.606 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(Cl)cc1 ZINC000035535038 525599571 /nfs/dbraw/zinc/59/95/71/525599571.db2.gz ORPPUVAPRFSFPJ-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ncc(C)s3)n2C)c1 ZINC000012325099 525613571 /nfs/dbraw/zinc/61/35/71/525613571.db2.gz WIXSOCBVJZKTON-IBGZPJMESA-N 0 0 448.548 3.932 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3nccs3)n2C)c1 ZINC000020737182 525613902 /nfs/dbraw/zinc/61/39/02/525613902.db2.gz WTOYOMGUUQKWHG-SFHVURJKSA-N 0 0 434.521 3.623 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN2CCOCC2)cc1 ZINC000012419602 525633022 /nfs/dbraw/zinc/63/30/22/525633022.db2.gz JTZRQGDUBGAVAO-UHFFFAOYSA-N 0 0 447.582 3.679 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4cccc(C)c4)c3)cc(=O)n2o1 ZINC000041089568 525671304 /nfs/dbraw/zinc/67/13/04/525671304.db2.gz XSXPURZKROPLET-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4cc(C)ccc4C)c3)cc(=O)n2o1 ZINC000035378581 525674206 /nfs/dbraw/zinc/67/42/06/525674206.db2.gz WPJUBKMKHVTUBN-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041085703 525674268 /nfs/dbraw/zinc/67/42/68/525674268.db2.gz MJLPJVLRWTUHLN-UHFFFAOYSA-N 0 0 445.884 3.629 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)[C@H](C)Oc4ccc(C)cc4)cc3)cc(=O)n2o1 ZINC000035378611 525674616 /nfs/dbraw/zinc/67/46/16/525674616.db2.gz IRFGILJBQORIKD-KRWDZBQOSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@H](C)Cc3ccco3)c(=O)c12 ZINC000020947502 525678248 /nfs/dbraw/zinc/67/82/48/525678248.db2.gz UQMBHZJZDWWMGJ-CQSZACIVSA-N 0 0 438.915 3.798 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325695 525716365 /nfs/dbraw/zinc/71/63/65/525716365.db2.gz KKHFMXSEWVIINV-OAQYLSRUSA-N 0 0 437.565 3.799 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325713 525723295 /nfs/dbraw/zinc/72/32/95/525723295.db2.gz MZFYFXGIUHUOPF-JOCHJYFZSA-N 0 0 449.576 3.725 50 0 IHAARN COc1cccc(-n2cnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)c1 ZINC000012532744 525753519 /nfs/dbraw/zinc/75/35/19/525753519.db2.gz UDRAMIKXAMCPMK-IBGZPJMESA-N 0 0 430.530 3.781 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCCOC(C)C)C4)sc3n2)cc1 ZINC000015679500 525767665 /nfs/dbraw/zinc/76/76/65/525767665.db2.gz XRJZUCXTICBWSF-LJQANCHMSA-N 0 0 441.601 3.914 50 0 IHAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5ccccc5F)CC4)c(=O)n23)cc1 ZINC000020768194 525787450 /nfs/dbraw/zinc/78/74/50/525787450.db2.gz WANLLZMRYPMKSY-UHFFFAOYSA-N 0 0 448.523 3.833 50 0 IHAARN Cc1ccsc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000013113204 525838092 /nfs/dbraw/zinc/83/80/92/525838092.db2.gz WYISLBDUVFHHMB-UHFFFAOYSA-N 0 0 443.594 3.952 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035962080 525856345 /nfs/dbraw/zinc/85/63/45/525856345.db2.gz COZHQWLUNJXQBE-OAQYLSRUSA-N 0 0 425.916 3.895 50 0 IHAARN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000012557063 525872983 /nfs/dbraw/zinc/87/29/83/525872983.db2.gz BVRZSHFZUXURTM-UHFFFAOYSA-N 0 0 445.850 3.957 50 0 IHAARN C[C@H](OC(=O)CNS(=O)(=O)C=Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035681464 525885670 /nfs/dbraw/zinc/88/56/70/525885670.db2.gz KCOQPQOQOJZKSF-XUZQSEFNSA-N 0 0 429.538 3.689 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021856911 525891334 /nfs/dbraw/zinc/89/13/34/525891334.db2.gz SYDLVRIDEYHYDA-QRWLVFNGSA-N 0 0 439.487 3.812 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F ZINC000012756791 525893146 /nfs/dbraw/zinc/89/31/46/525893146.db2.gz WNPUAONVNCSGKS-IXGIMOCASA-N 0 0 442.531 3.903 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000012567904 525893802 /nfs/dbraw/zinc/89/38/02/525893802.db2.gz SSVFWCQDVKRNOY-SANMLTNESA-N 0 0 441.487 3.617 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N3CCCCCC3)c2=O)cc1 ZINC000012140738 525893834 /nfs/dbraw/zinc/89/38/34/525893834.db2.gz SKJGDZJEPYOPSW-UHFFFAOYSA-N 0 0 431.492 3.610 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1cccc(C)c1)nc2C ZINC000020563849 525934465 /nfs/dbraw/zinc/93/44/65/525934465.db2.gz HZRUCMRGIXSDEZ-UHFFFAOYSA-N 0 0 443.551 3.912 50 0 IHAARN Cc1ccc(-n2nnnc2C(=Cc2ccc(O)cc2)c2nnnn2-c2ccc(C)cc2)cc1 ZINC000012080324 525936464 /nfs/dbraw/zinc/93/64/64/525936464.db2.gz GDIWQRFCNNVYIL-UHFFFAOYSA-N 0 0 436.479 3.549 50 0 IHAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)c1 ZINC000012835756 525967208 /nfs/dbraw/zinc/96/72/08/525967208.db2.gz VPAQMZLIICZKLG-LJQANCHMSA-N 0 0 427.545 3.568 50 0 IHAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3scnc3C)C2)c1 ZINC000015075487 525968864 /nfs/dbraw/zinc/96/88/64/525968864.db2.gz DZDWLYCTKHCSTR-GOSISDBHSA-N 0 0 429.586 3.728 50 0 IHAARN COc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000032987080 525971696 /nfs/dbraw/zinc/97/16/96/525971696.db2.gz HIDXOZKTQDXOOO-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN COc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3C)s2)c1 ZINC000032987316 525972860 /nfs/dbraw/zinc/97/28/60/525972860.db2.gz JCVBSNBEODEZEF-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000012522545 526012817 /nfs/dbraw/zinc/01/28/17/526012817.db2.gz PWWBJXKJEBRBJQ-OAHLLOKOSA-N 0 0 432.557 3.545 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000014526268 526033369 /nfs/dbraw/zinc/03/33/69/526033369.db2.gz YKCGPHSQQDJPMY-INIZCTEOSA-N 0 0 430.487 3.914 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)nn1-c1ccc(C)cc1 ZINC000035911576 526036791 /nfs/dbraw/zinc/03/67/91/526036791.db2.gz DLMRZXOVQDEIMW-UHFFFAOYSA-N 0 0 449.580 3.849 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)s1 ZINC000012932893 526040393 /nfs/dbraw/zinc/04/03/93/526040393.db2.gz BMQVHBRAAXEKHN-UHFFFAOYSA-N 0 0 432.523 3.730 50 0 IHAARN COc1cccc(CNc2ncnc3sc(C(=O)NCCSC)c(C)c32)c1OC ZINC000012217232 526046003 /nfs/dbraw/zinc/04/60/03/526046003.db2.gz ASFMZLSNSPGVKX-UHFFFAOYSA-N 0 0 432.571 3.722 50 0 IHAARN Cc1ccc2[nH]c(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)nc2c1 ZINC000020991856 526101347 /nfs/dbraw/zinc/10/13/47/526101347.db2.gz ODCFYRVLBTYXFB-UHFFFAOYSA-N 0 0 432.553 3.923 50 0 IHAARN COc1cccc(Cn2nccc2NC(=O)CCc2c(C)nc(SC)nc2C)c1OC ZINC000021677904 526112827 /nfs/dbraw/zinc/11/28/27/526112827.db2.gz JRPNSECEQDEASA-UHFFFAOYSA-N 0 0 441.557 3.649 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1-c1ccccc1C(F)(F)F ZINC000021961220 526126111 /nfs/dbraw/zinc/12/61/11/526126111.db2.gz HLKWIKGIPQWUCV-GFCCVEGCSA-N 0 0 433.352 3.974 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020530998 526147788 /nfs/dbraw/zinc/14/77/88/526147788.db2.gz QQJXKYINXVVYSO-RUZDIDTESA-N 0 0 441.531 3.741 50 0 IHAARN Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(-n2cccn2)nc1 ZINC000012549379 526156898 /nfs/dbraw/zinc/15/68/98/526156898.db2.gz JDOCSWHWFAJUOZ-UHFFFAOYSA-N 0 0 435.709 3.687 50 0 IHAARN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cccn1C)N1CCc2ccccc2C1 ZINC000021155621 526165615 /nfs/dbraw/zinc/16/56/15/526165615.db2.gz QZMJVVORTROZLM-JOCHJYFZSA-N 0 0 448.592 3.601 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000012898014 526169396 /nfs/dbraw/zinc/16/93/96/526169396.db2.gz KHBXLCPAKFZUAO-ZDUSSCGKSA-N 0 0 448.317 3.528 50 0 IHAARN COc1cccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(C(C)(C)C)cc2)C(=O)N3)c1 ZINC000020556617 526186647 /nfs/dbraw/zinc/18/66/47/526186647.db2.gz ALWIQVJSYDSXFH-UHFFFAOYSA-N 0 0 434.540 3.936 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000012854275 526204150 /nfs/dbraw/zinc/20/41/50/526204150.db2.gz NXEMOFOAVWHRCX-FQRUVTKNSA-N 0 0 449.551 3.640 50 0 IHAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2OC)C3)c1 ZINC000021038434 526212886 /nfs/dbraw/zinc/21/28/86/526212886.db2.gz RQPVKFGKHHNADZ-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN CSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 ZINC000041156880 526221954 /nfs/dbraw/zinc/22/19/54/526221954.db2.gz FRUWYQSYVKOWAI-QGZVFWFLSA-N 0 0 444.919 3.971 50 0 IHAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C ZINC000009662439 526237129 /nfs/dbraw/zinc/23/71/29/526237129.db2.gz HAKXNWJHUZNYNE-UHFFFAOYSA-N 0 0 444.553 3.582 50 0 IHAARN COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)n2N)c1 ZINC000022282761 526237261 /nfs/dbraw/zinc/23/72/61/526237261.db2.gz LVBDFRAGZDWISB-ATZDWAIDSA-N 0 0 448.589 3.676 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)cc(=O)n2c1 ZINC000033068128 526249852 /nfs/dbraw/zinc/24/98/52/526249852.db2.gz BCGQOIZQPYGVFQ-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc4c(c3)OCO4)cc(=O)n2c1 ZINC000015865503 526250461 /nfs/dbraw/zinc/25/04/61/526250461.db2.gz GIMDBOKGCSDDIM-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O ZINC000012554052 526259889 /nfs/dbraw/zinc/25/98/89/526259889.db2.gz NYPPYNZVHBINSM-SSOJOUAXSA-N 0 0 449.555 3.664 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)N(C)Cc3c(C)nn(C)c3C)o2)c(C)c1Br ZINC000020606861 526287846 /nfs/dbraw/zinc/28/78/46/526287846.db2.gz QRBXBAAQIDIQDH-UHFFFAOYSA-N 0 0 434.338 3.526 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc12 ZINC000012797486 526290028 /nfs/dbraw/zinc/29/00/28/526290028.db2.gz LTTXGFPPXKUYEX-OAQYLSRUSA-N 0 0 444.560 3.815 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000013006476 526297941 /nfs/dbraw/zinc/29/79/41/526297941.db2.gz ORCSBLPKAJDXMB-UHFFFAOYSA-N 0 0 438.915 3.805 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 ZINC000012533711 526304258 /nfs/dbraw/zinc/30/42/58/526304258.db2.gz PFRRUZKJEIPUOL-FOIQADDNSA-N 0 0 448.976 3.714 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000012769184 526305922 /nfs/dbraw/zinc/30/59/22/526305922.db2.gz VLTWIHCTQBXHBG-QGZVFWFLSA-N 0 0 438.553 3.846 50 0 IHAARN Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000012905739 526306437 /nfs/dbraw/zinc/30/64/37/526306437.db2.gz QKUIFPCUMUSKFU-UHFFFAOYSA-N 0 0 430.555 3.965 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 ZINC000012766661 526308423 /nfs/dbraw/zinc/30/84/23/526308423.db2.gz NSTRPTSTUQQZOQ-INIZCTEOSA-N 0 0 444.944 3.882 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373740 526392155 /nfs/dbraw/zinc/39/21/55/526392155.db2.gz CPPBCDFQTXJYSB-UHFFFAOYSA-N 0 0 447.926 3.927 50 0 IHAARN O=C(CCC1CCCCC1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012150458 526405280 /nfs/dbraw/zinc/40/52/80/526405280.db2.gz NIKQXZNBXXCYHU-JOCHJYFZSA-N 0 0 438.616 3.719 50 0 IHAARN O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000021365444 526418770 /nfs/dbraw/zinc/41/87/70/526418770.db2.gz OCFCDRFWXBVRNZ-UHFFFAOYSA-N 0 0 436.357 3.751 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4F)c3)cc(=O)n12 ZINC000021633068 526454844 /nfs/dbraw/zinc/45/48/44/526454844.db2.gz WFSHLUAMFVFOQN-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1csc2nc(COc3ccccc3NC(=O)COc3ccc(F)cc3)cc(=O)n12 ZINC000041077389 526455636 /nfs/dbraw/zinc/45/56/36/526455636.db2.gz RRLBRDDGNZWRDI-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000021152063 526466810 /nfs/dbraw/zinc/46/68/10/526466810.db2.gz VXXIYAIQVFXJCL-UHFFFAOYSA-N 0 0 429.517 3.917 50 0 IHAARN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022560259 526481568 /nfs/dbraw/zinc/48/15/68/526481568.db2.gz NTMFFVBNBUMEEL-UHFFFAOYSA-N 0 0 431.330 3.520 50 0 IHAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000018046056 526493685 /nfs/dbraw/zinc/49/36/85/526493685.db2.gz MBVNPIOZBDZETI-AWEZNQCLSA-N 0 0 425.838 3.654 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 ZINC000015588267 526512241 /nfs/dbraw/zinc/51/22/41/526512241.db2.gz DMZQCIOKHMOCIO-UHFFFAOYSA-N 0 0 442.793 3.944 50 0 IHAARN Cc1noc(C)c1CSCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000023074535 526524264 /nfs/dbraw/zinc/52/42/64/526524264.db2.gz KEACRFZEFVDQOW-MFOYZWKCSA-N 0 0 449.529 3.516 50 0 IHAARN O=C([C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000035483098 526539483 /nfs/dbraw/zinc/53/94/83/526539483.db2.gz BRYHIWVMOXTNKK-DEOSSOPVSA-N 0 0 441.579 3.704 50 0 IHAARN O=C(CC[C@@H]1CCCN(c2ccc3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012596292 526553683 /nfs/dbraw/zinc/55/36/83/526553683.db2.gz ULTUYGKTZCMTBN-NRFANRHFSA-N 0 0 429.568 3.975 50 0 IHAARN O=C(NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)c1ccc[n+]([O-])c1 ZINC000014990045 526560828 /nfs/dbraw/zinc/56/08/28/526560828.db2.gz CAAPBJNAYHTVRC-IBGZPJMESA-N 0 0 430.382 3.619 50 0 IHAARN c1csc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc43)n2)c1 ZINC000022405554 526577460 /nfs/dbraw/zinc/57/74/60/526577460.db2.gz JAKAZFGZBNLKIM-UHFFFAOYSA-N 0 0 425.539 3.866 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1 ZINC000018235525 526580343 /nfs/dbraw/zinc/58/03/43/526580343.db2.gz JCRBFTJLIFEUMV-UHFFFAOYSA-N 0 0 427.551 3.572 50 0 IHAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F ZINC000022766766 526582725 /nfs/dbraw/zinc/58/27/25/526582725.db2.gz UCGXEQUDGCNBOR-OAQYLSRUSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(CCc1ccccc1Cl)N1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1 ZINC000012246839 526611883 /nfs/dbraw/zinc/61/18/83/526611883.db2.gz CHLAMCRGFKRTKL-FQEVSTJZSA-N 0 0 425.960 3.655 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000012852387 526643333 /nfs/dbraw/zinc/64/33/33/526643333.db2.gz LQBGBHSFRJGECU-UHFFFAOYSA-N 0 0 434.924 3.868 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000012553086 526643573 /nfs/dbraw/zinc/64/35/73/526643573.db2.gz PHJSXUYPCZNREH-UHFFFAOYSA-N 0 0 428.895 3.806 50 0 IHAARN Cc1nc(C(=O)NCc2nnc(SCc3ccncc3)n2Cc2ccccc2)cs1 ZINC000015002133 526650315 /nfs/dbraw/zinc/65/03/15/526650315.db2.gz BTOWTZLNJYWWJB-UHFFFAOYSA-N 0 0 436.566 3.709 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012923534 526652964 /nfs/dbraw/zinc/65/29/64/526652964.db2.gz BXUFTYFJXALKKW-UHFFFAOYSA-N 0 0 430.913 3.747 50 0 IHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605945 526653281 /nfs/dbraw/zinc/65/32/81/526653281.db2.gz AFEJLHAHXNCUEB-UHFFFAOYSA-N 0 0 431.565 3.963 50 0 IHAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000013006869 526657479 /nfs/dbraw/zinc/65/74/79/526657479.db2.gz GOLNOOFMOAWIAT-UHFFFAOYSA-N 0 0 444.457 3.653 50 0 IHAARN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000012112403 526661131 /nfs/dbraw/zinc/66/11/31/526661131.db2.gz SCVHLNZCSIMTDW-CKEIUWERSA-N 0 0 443.219 3.553 50 0 IHAARN O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC(OCc2ccccc2)CC1 ZINC000012585929 526660953 /nfs/dbraw/zinc/66/09/53/526660953.db2.gz LEKUKGFWFNCVDO-UHFFFAOYSA-N 0 0 435.480 3.606 50 0 IHAARN O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCCOc1cccnc1 ZINC000012305144 526665980 /nfs/dbraw/zinc/66/59/80/526665980.db2.gz JKOPLWHAVANQLE-UHFFFAOYSA-N 0 0 434.418 3.592 50 0 IHAARN O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000012313146 526671159 /nfs/dbraw/zinc/67/11/59/526671159.db2.gz FQWPBKQVHGGLDR-UHFFFAOYSA-N 0 0 430.892 3.667 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000011881578 526673985 /nfs/dbraw/zinc/67/39/85/526673985.db2.gz LUCWDANDXGGNDA-UHFFFAOYSA-N 0 0 425.504 3.659 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000035876787 526691345 /nfs/dbraw/zinc/69/13/45/526691345.db2.gz GILKAXPPISVCGK-MKXGPGLRSA-N 0 0 446.400 3.680 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513133 526699407 /nfs/dbraw/zinc/69/94/07/526699407.db2.gz LZIYXZMOALRAPR-GOSISDBHSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)NCCc1ccccc1 ZINC000009544353 526699856 /nfs/dbraw/zinc/69/98/56/526699856.db2.gz RKJKFLWJBVFFBS-UHFFFAOYSA-N 0 0 444.503 3.515 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000012698924 526700960 /nfs/dbraw/zinc/70/09/60/526700960.db2.gz LYOAVBJTPGFBHS-QFIPXVFZSA-N 0 0 436.533 3.518 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000012698920 526701016 /nfs/dbraw/zinc/70/10/16/526701016.db2.gz LYOAVBJTPGFBHS-JOCHJYFZSA-N 0 0 436.533 3.518 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000012847796 526701271 /nfs/dbraw/zinc/70/12/71/526701271.db2.gz QEUXTBPRMWXTLL-DYVFJYSZSA-N 0 0 434.374 3.795 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000012748288 526726522 /nfs/dbraw/zinc/72/65/22/526726522.db2.gz VLTDWIZPMAFFFS-UHFFFAOYSA-N 0 0 430.298 3.955 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458497 526738597 /nfs/dbraw/zinc/73/85/97/526738597.db2.gz COUYERFSZGCHEE-XMMPIXPASA-N 0 0 439.515 3.768 50 0 IHAARN O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1cc2c(cc1Cl)OCO2 ZINC000022845532 526743926 /nfs/dbraw/zinc/74/39/26/526743926.db2.gz YBFJGQYEQOCWFK-UHFFFAOYSA-N 0 0 436.339 3.869 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000024262450 526745395 /nfs/dbraw/zinc/74/53/95/526745395.db2.gz XOMXEXMNDCWWSR-UHFFFAOYSA-N 0 0 431.539 3.677 50 0 IHAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1OC(F)(F)F ZINC000012819823 526755348 /nfs/dbraw/zinc/75/53/48/526755348.db2.gz FSVCYPQVCQISFF-QGZVFWFLSA-N 0 0 436.430 3.810 50 0 IHAARN O=C(NCc1cccnc1)[C@H]1Cc2ccccc2N2CCN(c3ccc(Cl)cc3)C[C@H]12 ZINC000035869852 526768674 /nfs/dbraw/zinc/76/86/74/526768674.db2.gz SMSVPALBSVQGQU-LADGPHEKSA-N 0 0 432.955 3.919 50 0 IHAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl ZINC000012561878 526819924 /nfs/dbraw/zinc/81/99/24/526819924.db2.gz RUGGIKUBLMJNEP-HXUWFJFHSA-N 0 0 431.895 3.698 50 0 IHAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCSc1ccccc1 ZINC000024607910 526826064 /nfs/dbraw/zinc/82/60/64/526826064.db2.gz YBFXZBFZDAAPBF-UHFFFAOYSA-N 0 0 442.537 3.910 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012928145 526826517 /nfs/dbraw/zinc/82/65/17/526826517.db2.gz ZBFAHWRBYYOZDV-MRXNPFEDSA-N 0 0 428.510 3.841 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000057383185 526845466 /nfs/dbraw/zinc/84/54/66/526845466.db2.gz KLCOPSOHYKDQAG-CQSZACIVSA-N 0 0 438.509 3.954 50 0 IHAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022703964 526858241 /nfs/dbraw/zinc/85/82/41/526858241.db2.gz YSNNHENRJTWWQH-UHFFFAOYSA-N 0 0 449.507 3.614 50 0 IHAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1ccc2c(c1)OCCO2 ZINC000012391867 526859502 /nfs/dbraw/zinc/85/95/02/526859502.db2.gz NRDDYBGBMBJUNE-UHFFFAOYSA-N 0 0 429.432 3.635 50 0 IHAARN Cc1nc(CN2CCN(C(=O)/C=C/c3c(C)nn(Cc4ccc(C)cc4)c3C)CC2)cs1 ZINC000012854719 526861404 /nfs/dbraw/zinc/86/14/04/526861404.db2.gz YENZWTXCGYSLSY-MDZDMXLPSA-N 0 0 449.624 3.979 50 0 IHAARN NC(=O)CCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 ZINC000012818536 526867614 /nfs/dbraw/zinc/86/76/14/526867614.db2.gz LZXIZRJJFOTKSZ-QFIPXVFZSA-N 0 0 425.579 3.666 50 0 IHAARN O=C(CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1)NCc1ccco1 ZINC000036009769 526872705 /nfs/dbraw/zinc/87/27/05/526872705.db2.gz OYHMEZPNAMURSU-UHFFFAOYSA-N 0 0 425.297 3.833 50 0 IHAARN O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015086879 526892190 /nfs/dbraw/zinc/89/21/90/526892190.db2.gz RFHAPOHQYGFCGS-UHFFFAOYSA-N 0 0 428.341 3.829 50 0 IHAARN Cc1sc2nc(CS[C@H](C)C(=O)NCCCOCc3ccccc3)[nH]c(=O)c2c1C ZINC000012790594 526894197 /nfs/dbraw/zinc/89/41/97/526894197.db2.gz ZBKPHHYZYDRDGM-MRXNPFEDSA-N 0 0 445.610 3.946 50 0 IHAARN O=C(c1csc(-c2ccco2)n1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000058183499 526901467 /nfs/dbraw/zinc/90/14/67/526901467.db2.gz NQIQGYQOOBPPMH-UHFFFAOYSA-N 0 0 427.917 3.662 50 0 IHAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000021902048 526905710 /nfs/dbraw/zinc/90/57/10/526905710.db2.gz SJUXDABLKVOHCQ-UHFFFAOYSA-N 0 0 435.549 3.937 50 0 IHAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(I)c1 ZINC000012656613 526906275 /nfs/dbraw/zinc/90/62/75/526906275.db2.gz OTHLVCIKUZVXJP-UHFFFAOYSA-N 0 0 439.293 3.989 50 0 IHAARN O=C(COc1ccc(Br)cc1Br)NC(=O)Nc1ccccc1 ZINC000015682832 526948826 /nfs/dbraw/zinc/94/88/26/526948826.db2.gz INPQWHDJPYVFRU-UHFFFAOYSA-N 0 0 428.080 3.939 50 0 IHAARN Clc1ccc(Cc2nc3nc4c(c(N5CCN(c6ccccn6)CC5)n3n2)CCC4)cc1 ZINC000035463249 526953194 /nfs/dbraw/zinc/95/31/94/526953194.db2.gz QFLQJIZYCWGGDE-UHFFFAOYSA-N 0 0 445.958 3.579 50 0 IHAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000009816499 526974455 /nfs/dbraw/zinc/97/44/55/526974455.db2.gz TXPXXYBXBGNHBP-UHFFFAOYSA-N 0 0 432.476 3.795 50 0 IHAARN O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc21)NCc1ccco1 ZINC000022714939 526980644 /nfs/dbraw/zinc/98/06/44/526980644.db2.gz WOCDWZYROKIOTB-UHFFFAOYSA-N 0 0 442.519 3.850 50 0 IHAARN O=C(COc1ccccc1)N1CCN(Cc2noc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000034904687 526982899 /nfs/dbraw/zinc/98/28/99/526982899.db2.gz TVHMPYJAUJYCEN-UHFFFAOYSA-N 0 0 447.322 3.767 50 0 IHAARN O=C(CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12)N1CCCCC1 ZINC000012389354 527010762 /nfs/dbraw/zinc/01/07/62/527010762.db2.gz ZVIIHMBEUWMLPI-UHFFFAOYSA-N 0 0 442.976 3.725 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035479457 527040409 /nfs/dbraw/zinc/04/04/09/527040409.db2.gz FZEXOFMIOZJJRE-QHCPKHFHSA-N 0 0 428.536 3.918 50 0 IHAARN NC(=O)c1ccc(N2CCC(C(=O)OCc3ccccc3Oc3ccccc3)CC2)nc1 ZINC000022226358 527056452 /nfs/dbraw/zinc/05/64/52/527056452.db2.gz BNHZBNFHGDYIFN-UHFFFAOYSA-N 0 0 431.492 3.933 50 0 IHAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000012545373 527056512 /nfs/dbraw/zinc/05/65/12/527056512.db2.gz ZROAZPUTVGMWLB-UHFFFAOYSA-N 0 0 447.539 3.772 50 0 IHAARN O=C(CSc1ncn(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000021756685 527071660 /nfs/dbraw/zinc/07/16/60/527071660.db2.gz HHHURJNFUWAOMC-LJQANCHMSA-N 0 0 436.537 3.884 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@@H]1CCSc2ccccc21 ZINC000012587365 527078194 /nfs/dbraw/zinc/07/81/94/527078194.db2.gz NLUQMDBQDRSFOR-CQSZACIVSA-N 0 0 427.507 3.911 50 0 IHAARN O=C(CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccccc1)Nc1ccccc1 ZINC000035532126 527091926 /nfs/dbraw/zinc/09/19/26/527091926.db2.gz MRCHRYPPYHEXPU-UHFFFAOYSA-N 0 0 447.545 3.885 50 0 IHAARN Cn1c2ccc(CNC(=O)c3ccc4nc(Cc5ccccc5F)oc4c3)cc2n(C)c1=O ZINC000011878915 527099739 /nfs/dbraw/zinc/09/97/39/527099739.db2.gz WBUDZJLTVPRXQZ-UHFFFAOYSA-N 0 0 444.466 3.678 50 0 IHAARN NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)c1n[nH]c2c1CCc1ccccc1-2 ZINC000021156540 527103448 /nfs/dbraw/zinc/10/34/48/527103448.db2.gz NBHMMKNXWARNLJ-UHFFFAOYSA-N 0 0 430.493 3.727 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(Cl)cc1 ZINC000012233131 527136062 /nfs/dbraw/zinc/13/60/62/527136062.db2.gz XTKQFWDAOBAVAH-MRXNPFEDSA-N 0 0 437.912 3.911 50 0 IHAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012881375 527141535 /nfs/dbraw/zinc/14/15/35/527141535.db2.gz LJYYYUZEIDNFJR-SFHVURJKSA-N 0 0 448.928 3.755 50 0 IHAARN O=Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000012593047 527146903 /nfs/dbraw/zinc/14/69/03/527146903.db2.gz CANIWYJRCUYEFG-UHFFFAOYSA-N 0 0 435.459 3.956 50 0 IHAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCC1=CCCCC1 ZINC000012233007 527181030 /nfs/dbraw/zinc/18/10/30/527181030.db2.gz BLRMLKMWDMGLNQ-SFHVURJKSA-N 0 0 435.553 3.626 50 0 IHAARN O=C(C[C@H]1OC(=O)c2ccccc21)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012897496 527181402 /nfs/dbraw/zinc/18/14/02/527181402.db2.gz MKKNKRFHESSJMG-JOCHJYFZSA-N 0 0 439.471 3.754 50 0 IHAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000035508316 527186574 /nfs/dbraw/zinc/18/65/74/527186574.db2.gz DZZDRVUJJPEEKG-CYBMUJFWSA-N 0 0 427.867 3.755 50 0 IHAARN Cc1nc2nc(N(Cc3cccc(F)c3)S(=O)(=O)c3ccccc3)nn2c(C)c1Cl ZINC000021660057 527199389 /nfs/dbraw/zinc/19/93/89/527199389.db2.gz PNXNVCDPDFLFJO-UHFFFAOYSA-N 0 0 445.907 3.929 50 0 IHAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(N2CCN(c3ccc(F)cc3)CC2)c1C ZINC000021941676 527199882 /nfs/dbraw/zinc/19/98/82/527199882.db2.gz YWGLNVQSAMPLHU-UHFFFAOYSA-N 0 0 434.494 3.937 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000036015043 527201976 /nfs/dbraw/zinc/20/19/76/527201976.db2.gz VBLWJNHVOJBLLP-DHIUTWEWSA-N 0 0 449.457 3.824 50 0 IHAARN Cc1nc2sc3c(c2c(N2CCN(S(=O)(=O)/C=C\c4ccccc4)CC2)n1)CCC3 ZINC000035681508 527207363 /nfs/dbraw/zinc/20/73/63/527207363.db2.gz YOBKBGFWFVUNGG-GDNBJRDFSA-N 0 0 440.594 3.611 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000017190440 527222164 /nfs/dbraw/zinc/22/21/64/527222164.db2.gz CKEIVNRRGDFCOS-NRFANRHFSA-N 0 0 445.972 3.775 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000012764903 527256859 /nfs/dbraw/zinc/25/68/59/527256859.db2.gz OGTPGFGEWGKSJP-QGZVFWFLSA-N 0 0 445.441 3.692 50 0 IHAARN O=S(=O)(c1ccc(SCc2ccccc2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000012632562 527278821 /nfs/dbraw/zinc/27/88/21/527278821.db2.gz RYNMNCUIKWHSAN-UHFFFAOYSA-N 0 0 439.606 3.880 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000035447738 527284030 /nfs/dbraw/zinc/28/40/30/527284030.db2.gz VEXFYQFZGVQBQY-UHFFFAOYSA-N 0 0 429.480 3.613 50 0 IHAARN NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000012927768 527313949 /nfs/dbraw/zinc/31/39/49/527313949.db2.gz ZZHGARKYCPKGHW-UHFFFAOYSA-N 0 0 443.884 3.565 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000012759881 527333223 /nfs/dbraw/zinc/33/32/23/527333223.db2.gz MLRDSVXRDWNNBG-AWEZNQCLSA-N 0 0 431.414 3.907 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015425203 527337860 /nfs/dbraw/zinc/33/78/60/527337860.db2.gz IDHUOAAEXPDUAX-UHFFFAOYSA-N 0 0 430.917 3.533 50 0 IHAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000016695801 527360739 /nfs/dbraw/zinc/36/07/39/527360739.db2.gz NTQKHGWDYNBATO-UHFFFAOYSA-N 0 0 430.430 3.932 50 0 IHAARN O=C(Nc1cccc2cnccc21)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000058158181 527388427 /nfs/dbraw/zinc/38/84/27/527388427.db2.gz JVNXVISYGPRJRM-UHFFFAOYSA-N 0 0 428.414 3.541 50 0 IHAARN O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898327 527405925 /nfs/dbraw/zinc/40/59/25/527405925.db2.gz OIJCHESZYOBRHV-UHFFFAOYSA-N 0 0 437.359 3.630 50 0 IHAARN O=C(Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O)NCc1ccc(F)cc1 ZINC000020936880 527418545 /nfs/dbraw/zinc/41/85/45/527418545.db2.gz VTYVZAWNWXIFJF-UHFFFAOYSA-N 0 0 440.478 3.807 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccco1 ZINC000034693136 527459004 /nfs/dbraw/zinc/45/90/04/527459004.db2.gz BIQMRHGNWWGXQY-UHFFFAOYSA-N 0 0 432.867 3.692 50 0 IHAARN O=c1c2cc(Cl)ccc2nc(SCc2nnnn2C2CC2)n1-c1ccc(F)cc1F ZINC000012737606 527461888 /nfs/dbraw/zinc/46/18/88/527461888.db2.gz VMVZEKUMFKZAQX-UHFFFAOYSA-N 0 0 446.870 3.931 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1ccccc1F ZINC000041086067 527536615 /nfs/dbraw/zinc/53/66/15/527536615.db2.gz HATOQVLUIBDZFU-UHFFFAOYSA-N 0 0 428.474 3.621 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N ZINC000012634866 527544869 /nfs/dbraw/zinc/54/48/69/527544869.db2.gz HACDXWXEXFDNLS-UHFFFAOYSA-N 0 0 433.541 3.501 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc12 ZINC000024061672 527556463 /nfs/dbraw/zinc/55/64/63/527556463.db2.gz PTZWYCPKBLTYNC-UHFFFAOYSA-N 0 0 439.566 3.936 50 0 IHAARN O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012856653 527608955 /nfs/dbraw/zinc/60/89/55/527608955.db2.gz WTAQWAXTNLNPDY-SOFGYWHQSA-N 0 0 436.314 3.929 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936488 535036690 /nfs/dbraw/zinc/03/66/90/535036690.db2.gz HWUXFCJHXZCHLU-IBGZPJMESA-N 0 0 426.609 3.910 50 0 IHAARN CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000013121347 535109552 /nfs/dbraw/zinc/10/95/52/535109552.db2.gz YDAXYVUJZIHRKV-UHFFFAOYSA-N 0 0 429.538 3.736 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CCCN(c4ncnc5onc(C)c54)C3)sc2c1 ZINC000009267757 535444177 /nfs/dbraw/zinc/44/41/77/535444177.db2.gz GCDAQLXSDNLTLZ-ZDUSSCGKSA-N 0 0 438.513 3.790 50 0 IHAARN CCc1sc(-c2nnc(COC(=O)CN3C(=O)CSc4ccccc43)o2)cc1C ZINC000008748872 535945636 /nfs/dbraw/zinc/94/56/36/535945636.db2.gz JCGTWLSPQZLSPI-UHFFFAOYSA-N 0 0 429.523 3.851 50 0 IHAARN CCn1c(C)c(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c2cc(OC)ccc21 ZINC000009433892 535963902 /nfs/dbraw/zinc/96/39/02/535963902.db2.gz TVVGACSMGQDNQG-UHFFFAOYSA-N 0 0 434.540 3.899 50 0 IHAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000003665864 536183993 /nfs/dbraw/zinc/18/39/93/536183993.db2.gz KAVMZDRXKNWXEP-VWLOTQADSA-N 0 0 431.492 3.771 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CC(C)(C)CC(=O)N2CCc3ccccc3C2)CC1 ZINC000009908357 537063956 /nfs/dbraw/zinc/06/39/56/537063956.db2.gz WBLJYBMWIWAXBD-UHFFFAOYSA-N 0 0 449.595 3.735 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4csc(C)n4)ccc3C)CC2)c1 ZINC000013357931 537124190 /nfs/dbraw/zinc/12/41/90/537124190.db2.gz UJOMYGMLWGPRIG-UHFFFAOYSA-N 0 0 443.594 3.946 50 0 IHAARN COc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1 ZINC000009699518 537128878 /nfs/dbraw/zinc/12/88/78/537128878.db2.gz VUESFKXGOZEJEU-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000000627673 555513013 /nfs/dbraw/zinc/51/30/13/555513013.db2.gz DOOMGAMTFDRVME-HXUWFJFHSA-N 0 0 443.521 3.708 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000000633290 555515804 /nfs/dbraw/zinc/51/58/04/555515804.db2.gz MYAULMJJNAXFME-CNSVBDKNSA-N 0 0 446.553 3.623 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000000634587 555516433 /nfs/dbraw/zinc/51/64/33/555516433.db2.gz AFLIOPRMVAABPU-UHFFFAOYSA-N 0 0 430.526 3.686 50 0 IHAARN CCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000636462 555516999 /nfs/dbraw/zinc/51/69/99/555516999.db2.gz KWNORWPIRWPNNT-UHFFFAOYSA-N 0 0 430.570 3.848 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 ZINC000000642291 555518625 /nfs/dbraw/zinc/51/86/25/555518625.db2.gz LZEGRIXVSYKLPU-UHFFFAOYSA-N 0 0 441.532 3.738 50 0 IHAARN COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000656757 555525069 /nfs/dbraw/zinc/52/50/69/555525069.db2.gz GHNWXSZWNXPKQD-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN COc1ccc(CCNC(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)cc1 ZINC000000656274 555525096 /nfs/dbraw/zinc/52/50/96/555525096.db2.gz CFOKAVXMWWDRRK-UHFFFAOYSA-N 0 0 432.520 3.649 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000000665151 555527993 /nfs/dbraw/zinc/52/79/93/555527993.db2.gz QASYVEKVUDEFJH-INIZCTEOSA-N 0 0 428.485 3.883 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000664803 555528016 /nfs/dbraw/zinc/52/80/16/555528016.db2.gz SIWCTDIXRQWLJK-RBUKOAKNSA-N 0 0 438.549 3.982 50 0 IHAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1cccs1 ZINC000000675618 555534376 /nfs/dbraw/zinc/53/43/76/555534376.db2.gz NZAWPXNEGHEVAA-UHFFFAOYSA-N 0 0 443.575 3.626 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 ZINC000000686677 555540108 /nfs/dbraw/zinc/54/01/08/555540108.db2.gz NNEYRDJOCWZWNH-UHFFFAOYSA-N 0 0 447.358 3.908 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000000687847 555541071 /nfs/dbraw/zinc/54/10/71/555541071.db2.gz QVSFGDPFPSVIDT-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(F)c(Br)c2)cc1 ZINC000000717914 555549184 /nfs/dbraw/zinc/54/91/84/555549184.db2.gz DPBZQYHJBGVSSQ-GOSISDBHSA-N 0 0 449.276 3.968 50 0 IHAARN COc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000000755303 555553925 /nfs/dbraw/zinc/55/39/25/555553925.db2.gz OBRPAYRWQCRRAC-UHFFFAOYSA-N 0 0 447.560 3.853 50 0 biogenic IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 ZINC000000794306 555557706 /nfs/dbraw/zinc/55/77/06/555557706.db2.gz MGDZOUYYPKUFCI-HXUWFJFHSA-N 0 0 444.487 3.664 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 ZINC000000794305 555557733 /nfs/dbraw/zinc/55/77/33/555557733.db2.gz MGDZOUYYPKUFCI-FQEVSTJZSA-N 0 0 444.487 3.664 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000816844 555562886 /nfs/dbraw/zinc/56/28/86/555562886.db2.gz BBYSIOXSYIEFIF-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000000828169 555565729 /nfs/dbraw/zinc/56/57/29/555565729.db2.gz RYUCKNKFMZQXEV-ZIAGYGMSSA-N 0 0 438.899 3.542 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000000832420 555566512 /nfs/dbraw/zinc/56/65/12/555566512.db2.gz GOJRKAHPUZUTAU-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1 ZINC000000840623 555567909 /nfs/dbraw/zinc/56/79/09/555567909.db2.gz OQVBXFFOCZVGFK-UHFFFAOYSA-N 0 0 425.510 3.623 50 0 IHAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@H](c2cccc(Br)c2)NC(=O)N1 ZINC000000844415 555568751 /nfs/dbraw/zinc/56/87/51/555568751.db2.gz OTVUPJMAODWPOW-NSHDSACASA-N 0 0 442.524 3.990 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000879286 555576811 /nfs/dbraw/zinc/57/68/11/555576811.db2.gz QCVSGJXPQHNIRY-UHFFFAOYSA-N 0 0 425.510 3.541 50 0 IHAARN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1OC ZINC000000881689 555577684 /nfs/dbraw/zinc/57/76/84/555577684.db2.gz UHMDCHYCDJZLFG-UHFFFAOYSA-N 0 0 429.542 3.830 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Oc1ccccc1F ZINC000009671241 555586516 /nfs/dbraw/zinc/58/65/16/555586516.db2.gz CWFLAPFBUFGSLO-UHFFFAOYSA-N 0 0 427.453 3.805 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000947892 555588454 /nfs/dbraw/zinc/58/84/54/555588454.db2.gz DDYTWGFZOVTATB-UHFFFAOYSA-N 0 0 434.473 3.827 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)Nc3ccc(Cl)cc3F)cc2oc1=O ZINC000000950438 555588784 /nfs/dbraw/zinc/58/87/84/555588784.db2.gz DGVTXUQQTJRDRH-UHFFFAOYSA-N 0 0 433.819 3.627 50 0 IHAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000993313 555597684 /nfs/dbraw/zinc/59/76/84/555597684.db2.gz LLEWEBVHCCNZHP-WMLDXEAASA-N 0 0 443.883 3.684 50 0 IHAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000993315 555597746 /nfs/dbraw/zinc/59/77/46/555597746.db2.gz LLEWEBVHCCNZHP-RHSMWYFYSA-N 0 0 443.883 3.684 50 0 IHAARN COC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C(=O)OC)c1C ZINC000000996961 555598970 /nfs/dbraw/zinc/59/89/70/555598970.db2.gz UTIIOPPLQNJDLD-UHFFFAOYSA-N 0 0 432.281 3.954 50 0 IHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1)c1cccnc1 ZINC000001006178 555601052 /nfs/dbraw/zinc/60/10/52/555601052.db2.gz KYEMTUWCPXVMQL-UHFFFAOYSA-N 0 0 441.896 3.548 50 0 IHAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000001020400 555603676 /nfs/dbraw/zinc/60/36/76/555603676.db2.gz ADQLMZQSDMJLDQ-UHFFFAOYSA-N 0 0 443.550 3.856 50 0 IHAARN COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1)OC ZINC000001031621 555606025 /nfs/dbraw/zinc/60/60/25/555606025.db2.gz QFBXMIBFFXFMLC-UHFFFAOYSA-N 0 0 432.933 3.948 50 0 IHAARN CCOC(Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C)OCC ZINC000001031874 555606191 /nfs/dbraw/zinc/60/61/91/555606191.db2.gz IPPQKRJBTSYLGA-UHFFFAOYSA-N 0 0 433.361 3.794 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)c1csc2ccccc12 ZINC000001034367 555607359 /nfs/dbraw/zinc/60/73/59/555607359.db2.gz TWFPDTMCTGZDTE-UHFFFAOYSA-N 0 0 425.491 3.522 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000001070795 555621197 /nfs/dbraw/zinc/62/11/97/555621197.db2.gz QITYXUJWOGEUQT-HXUWFJFHSA-N 0 0 437.496 3.604 50 0 IHAARN CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000001081000 555625963 /nfs/dbraw/zinc/62/59/63/555625963.db2.gz BDVUVFMGLFBTEO-UHFFFAOYSA-N 0 0 446.525 3.629 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCc2ccccc2C1 ZINC000001105193 555629253 /nfs/dbraw/zinc/62/92/53/555629253.db2.gz CMXNNOJCJPCXBW-UHFFFAOYSA-N 0 0 426.582 3.815 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC ZINC000001109193 555630435 /nfs/dbraw/zinc/63/04/35/555630435.db2.gz BCAKBCGFTBWMNE-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000001120016 555636971 /nfs/dbraw/zinc/63/69/71/555636971.db2.gz PQLOICLAEVQYPG-SFHVURJKSA-N 0 0 447.354 3.994 50 0 IHAARN COC(=O)c1sc(NC(=S)NCCc2ccc(Cl)cc2)c(C(=O)OC)c1C ZINC000001121355 555637991 /nfs/dbraw/zinc/63/79/91/555637991.db2.gz GCXCYRNCWOVAHP-UHFFFAOYSA-N 0 0 426.947 3.812 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)c(C)c1 ZINC000001128678 555642745 /nfs/dbraw/zinc/64/27/45/555642745.db2.gz CMCMVIIDIIBJHY-KRWDZBQOSA-N 0 0 437.569 3.962 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(Cl)c3)n2C)c1C ZINC000001131957 555645057 /nfs/dbraw/zinc/64/50/57/555645057.db2.gz SKPRWBGPDRXFQL-UHFFFAOYSA-N 0 0 443.960 3.746 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000001138673 555648340 /nfs/dbraw/zinc/64/83/40/555648340.db2.gz ZQTJKKWMLAPCEN-NRFANRHFSA-N 0 0 446.532 3.621 50 0 IHAARN COC(=O)C1=CN(CCc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccs1 ZINC000001140709 555649714 /nfs/dbraw/zinc/64/97/14/555649714.db2.gz WCHDBWKVRGLKEM-UHFFFAOYSA-N 0 0 443.521 3.521 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccccc2OC)c(C(=O)OCC)c1C ZINC000001144709 555652338 /nfs/dbraw/zinc/65/23/38/555652338.db2.gz WNVOKXHHAGBLKP-ZDUSSCGKSA-N 0 0 435.498 3.825 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000001145743 555653194 /nfs/dbraw/zinc/65/31/94/555653194.db2.gz SVIADHBNFUBMFF-UHFFFAOYSA-N 0 0 439.375 3.979 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2)cc1 ZINC000001147189 555654174 /nfs/dbraw/zinc/65/41/74/555654174.db2.gz ZLKDGXOMMBMMDA-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl ZINC000001148468 555654974 /nfs/dbraw/zinc/65/49/74/555654974.db2.gz XKWIMKCZOUWULT-UHFFFAOYSA-N 0 0 438.130 3.673 50 0 IHAARN CCc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000001149784 555655644 /nfs/dbraw/zinc/65/56/44/555655644.db2.gz ZESQWUVCOJKYGO-UHFFFAOYSA-N 0 0 438.505 3.812 50 0 IHAARN NC(=O)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001150180 555656106 /nfs/dbraw/zinc/65/61/06/555656106.db2.gz CXQKIQPKNPSGDE-UHFFFAOYSA-N 0 0 435.549 3.887 50 0 biogenic IHAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000001152599 555657345 /nfs/dbraw/zinc/65/73/45/555657345.db2.gz DFBJZBXPNGDILH-AREMUKBSSA-N 0 0 429.472 3.774 50 0 IHAARN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000001156716 555659294 /nfs/dbraw/zinc/65/92/94/555659294.db2.gz VDJYCNALKLYPGC-FQEVSTJZSA-N 0 0 427.526 3.534 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000001158837 555660798 /nfs/dbraw/zinc/66/07/98/555660798.db2.gz XJTSTYNQZIBCLP-UHFFFAOYSA-N 0 0 437.359 3.797 50 0 IHAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000001159919 555661146 /nfs/dbraw/zinc/66/11/46/555661146.db2.gz KITAAHNSAHPHCQ-GOSISDBHSA-N 0 0 431.286 3.829 50 0 IHAARN CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001161414 555662009 /nfs/dbraw/zinc/66/20/09/555662009.db2.gz LGIMCBFURJHBGV-CYBMUJFWSA-N 0 0 430.448 3.897 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000001161950 555662307 /nfs/dbraw/zinc/66/23/07/555662307.db2.gz LJJUPDOAKCZAJE-UHFFFAOYSA-N 0 0 432.523 3.605 50 0 IHAARN COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000001166223 555664149 /nfs/dbraw/zinc/66/41/49/555664149.db2.gz SEWMUCCBKCKPKI-QGZVFWFLSA-N 0 0 444.553 3.562 50 0 IHAARN CCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000001167542 555664910 /nfs/dbraw/zinc/66/49/10/555664910.db2.gz SVSYYZLFVCNHFC-CYBMUJFWSA-N 0 0 426.922 3.541 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000001167816 555665032 /nfs/dbraw/zinc/66/50/32/555665032.db2.gz HCIYPMWAPFGUMF-PZHBDVNGSA-N 0 0 444.512 3.545 50 0 IHAARN CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000001168346 555665319 /nfs/dbraw/zinc/66/53/19/555665319.db2.gz MJFSNBVEFYRPBX-HZPDHXFCSA-N 0 0 435.705 3.960 50 0 IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000001182402 555672522 /nfs/dbraw/zinc/67/25/22/555672522.db2.gz OFMYEUADOYNAGI-GOSISDBHSA-N 0 0 433.936 3.868 50 0 IHAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 ZINC000001185915 555674321 /nfs/dbraw/zinc/67/43/21/555674321.db2.gz OOZFLYZHFAASFI-UHFFFAOYSA-N 0 0 427.551 3.808 50 0 IHAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001189484 555675580 /nfs/dbraw/zinc/67/55/80/555675580.db2.gz KPQDYORAWUMBPS-QFIPXVFZSA-N 0 0 432.480 3.739 50 0 IHAARN O=C(Cc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000001194944 555676361 /nfs/dbraw/zinc/67/63/61/555676361.db2.gz HGOOAKCTPCAUCS-KRWDZBQOSA-N 0 0 427.220 3.879 50 0 IHAARN O=C(c1ccccc1O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000001215080 555683598 /nfs/dbraw/zinc/68/35/98/555683598.db2.gz ILRNJSYWKDGDIJ-INIZCTEOSA-N 0 0 429.192 3.656 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000001295356 555689085 /nfs/dbraw/zinc/68/90/85/555689085.db2.gz GUMBMIQMKLNXOO-FQEVSTJZSA-N 0 0 441.553 3.761 50 0 IHAARN O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001298171 555689341 /nfs/dbraw/zinc/68/93/41/555689341.db2.gz BRQYEEXFDJUZJM-FMIVXFBMSA-N 0 0 449.623 3.839 50 0 IHAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)c1 ZINC000001442529 555698156 /nfs/dbraw/zinc/69/81/56/555698156.db2.gz BONZTRAAIKUFAA-NRFANRHFSA-N 0 0 446.532 3.621 50 0 IHAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 ZINC000001442522 555698187 /nfs/dbraw/zinc/69/81/87/555698187.db2.gz FXLLGOWOOJQUAU-OAQYLSRUSA-N 0 0 446.532 3.621 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001444511 555698370 /nfs/dbraw/zinc/69/83/70/555698370.db2.gz CAQSMSPGFRTBJB-UHFFFAOYSA-N 0 0 435.431 3.817 50 0 IHAARN Nc1nc(SCc2ccc(C(=O)NCCCO)cc2)nc2sc3c(c21)CCCC3 ZINC000001895675 555723246 /nfs/dbraw/zinc/72/32/46/555723246.db2.gz BAOPRCNCWNTPQZ-UHFFFAOYSA-N 0 0 428.583 3.557 50 0 IHAARN Cc1cc2c(nc3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n23)c(C)c1 ZINC000002075616 555735683 /nfs/dbraw/zinc/73/56/83/555735683.db2.gz DLBCIQCNHLPLNG-SOFYXZRVSA-N 0 0 429.295 3.565 50 0 IHAARN COCCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 ZINC000002086522 555739984 /nfs/dbraw/zinc/73/99/84/555739984.db2.gz JEIIJDJYKMCSGQ-UHFFFAOYSA-N 0 0 449.525 3.708 50 0 IHAARN CCCCN(CCCC)C(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000002158190 555750668 /nfs/dbraw/zinc/75/06/68/555750668.db2.gz GJCCJDRRBVXLGE-UHFFFAOYSA-N 0 0 435.524 3.964 50 0 IHAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1 ZINC000002251443 555762612 /nfs/dbraw/zinc/76/26/12/555762612.db2.gz LXXKJBKZJXMFGN-STZFKDTASA-N 0 0 443.532 3.730 50 0 IHAARN COC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000002276052 555764647 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CCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O ZINC000002993031 555875402 /nfs/dbraw/zinc/87/54/02/555875402.db2.gz YJLCNFNUZLPIKF-GDNBJRDFSA-N 0 0 435.299 3.839 50 0 IHAARN COc1cccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000002993096 555875441 /nfs/dbraw/zinc/87/54/41/555875441.db2.gz LOBLSYYQQCIBLN-UHFFFAOYSA-N 0 0 436.599 3.538 50 0 IHAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000002993490 555875774 /nfs/dbraw/zinc/87/57/74/555875774.db2.gz YTUGHFBFHLJGLL-UHFFFAOYSA-N 0 0 430.545 3.734 50 0 IHAARN CCCCCCC(=O)N[C@@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl ZINC000003118662 555888798 /nfs/dbraw/zinc/88/87/98/555888798.db2.gz XKVMANXZYUNASP-CQSZACIVSA-N 0 0 430.785 3.529 50 0 IHAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034830826 555911989 /nfs/dbraw/zinc/91/19/89/555911989.db2.gz SCNQUMGRXCGAGB-UHFFFAOYSA-N 0 0 426.879 3.604 50 0 IHAARN C[C@H]1S[C@H](c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000034854676 555923687 /nfs/dbraw/zinc/92/36/87/555923687.db2.gz PRUHCPYILUXBCJ-UZUQRXQVSA-N 0 0 429.630 3.501 50 0 IHAARN COc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(SCc3ccccc3Cl)NN21 ZINC000004176660 555973468 /nfs/dbraw/zinc/97/34/68/555973468.db2.gz MDTYPKAWDRPKQW-SFHVURJKSA-N 0 0 441.944 3.628 50 0 IHAARN CCC[C@]12C[C@H](OC1=O)[C@@H]1[C@H](CC=C3CC4(CC[C@@]31C)OCCO4)[C@@]2(O)/C=C/OCC ZINC000005952194 556070837 /nfs/dbraw/zinc/07/08/37/556070837.db2.gz NCVXCIWMIWHNSZ-LGDJZFLHSA-N 0 0 432.557 3.879 50 0 IHAARN Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccccn1 ZINC000006154216 556078668 /nfs/dbraw/zinc/07/86/68/556078668.db2.gz GDUYHENRGNXABY-UHFFFAOYSA-N 0 0 442.595 3.521 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)c(OC)c1OC ZINC000002383611 556086359 /nfs/dbraw/zinc/08/63/59/556086359.db2.gz QUBMCIIMGKRDOE-VZUCSPMQSA-N 0 0 439.249 3.969 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1F ZINC000006545008 556093926 /nfs/dbraw/zinc/09/39/26/556093926.db2.gz JYQZTQHUKCMYFI-HFOHEEIUSA-N 0 0 448.519 3.603 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c1 ZINC000006878417 556107979 /nfs/dbraw/zinc/10/79/79/556107979.db2.gz HZNYXXOEVAQASO-UHFFFAOYSA-N 0 0 440.525 3.881 50 0 IHAARN CC[C@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000010587232 556116295 /nfs/dbraw/zinc/11/62/95/556116295.db2.gz QBEZEKRFJBQBKE-ROUUACIJSA-N 0 0 437.540 3.801 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 ZINC000002711574 556125014 /nfs/dbraw/zinc/12/50/14/556125014.db2.gz TYMPSUXZPGLRJQ-UHFFFAOYSA-N 0 0 441.937 3.731 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002710460 556125052 /nfs/dbraw/zinc/12/50/52/556125052.db2.gz XWXUWYZHBNBXIE-INIZCTEOSA-N 0 0 436.744 3.904 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1c(C)cc(C)cc1C)c2=O ZINC000002712282 556125442 /nfs/dbraw/zinc/12/54/42/556125442.db2.gz WDHWKGTULRPIEO-GOSISDBHSA-N 0 0 436.508 3.896 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1 ZINC000002716205 556130444 /nfs/dbraw/zinc/13/04/44/556130444.db2.gz UOXFEMDZVVIUHG-UHFFFAOYSA-N 0 0 443.341 3.649 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O)Nc1ccc2c(c1)OCO2 ZINC000002716391 556130735 /nfs/dbraw/zinc/13/07/35/556130735.db2.gz DJNIIWLOKANCCG-UHFFFAOYSA-N 0 0 448.450 3.770 50 0 IHAARN COC(=O)c1ccc(Cc2noc(COC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000097377862 556134497 /nfs/dbraw/zinc/13/44/97/556134497.db2.gz FXNDVKGFMNHTIB-KRWDZBQOSA-N 0 0 445.516 3.611 50 0 IHAARN Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1Cl ZINC000002778626 556141003 /nfs/dbraw/zinc/14/10/03/556141003.db2.gz PSYANFNYUCRMOY-ZDUSSCGKSA-N 0 0 447.992 3.846 50 0 IHAARN Cc1c(Br)c(C2N=NC(=S)N2c2cnn(Cc3ccc(C)cc3)c2)nn1C ZINC000002808261 556146654 /nfs/dbraw/zinc/14/66/54/556146654.db2.gz CPTAVEZWDDWERY-UHFFFAOYSA-N 0 0 444.362 3.581 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2ccccc21 ZINC000002855192 556147968 /nfs/dbraw/zinc/14/79/68/556147968.db2.gz REPJFEQJGKBKMC-OAQYLSRUSA-N 0 0 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ZINC000008591540 556188958 /nfs/dbraw/zinc/18/89/58/556188958.db2.gz QMOBGFBACDPEHF-OAQYLSRUSA-N 0 0 449.507 3.890 50 0 IHAARN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc(=O)c2c1 ZINC000008612363 556191985 /nfs/dbraw/zinc/19/19/85/556191985.db2.gz KZMADORPHQYXKC-UHFFFAOYSA-N 0 0 440.521 3.918 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000008779637 556214583 /nfs/dbraw/zinc/21/45/83/556214583.db2.gz QRRFHGLWNVJELV-QIPHDZALSA-N 0 0 444.965 3.513 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OC)cc2OC)C1=O ZINC000008920198 556233108 /nfs/dbraw/zinc/23/31/08/556233108.db2.gz YIHJTZSDKPUKON-OAQYLSRUSA-N 0 0 448.313 3.684 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(OC)ccc2OC)C1=O ZINC000008920232 556233177 /nfs/dbraw/zinc/23/31/77/556233177.db2.gz CLNVNOYQAZSLCB-OAQYLSRUSA-N 0 0 448.313 3.684 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 ZINC000009191213 556253805 /nfs/dbraw/zinc/25/38/05/556253805.db2.gz STZIVDIYDQJLJP-ZDUSSCGKSA-N 0 0 427.526 3.689 50 0 IHAARN CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc(Br)ccc1O ZINC000009236156 556263846 /nfs/dbraw/zinc/26/38/46/556263846.db2.gz PQSWWGDEJUNWOC-UHFFFAOYSA-N 0 0 425.352 3.538 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009236694 556264155 /nfs/dbraw/zinc/26/41/55/556264155.db2.gz WWTMXZWPJKGCPG-ROUUACIJSA-N 0 0 429.933 3.955 50 0 IHAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000009262272 556269526 /nfs/dbraw/zinc/26/95/26/556269526.db2.gz GXXRSJYOLPODBK-BXUJETTOSA-N 0 0 427.478 3.872 50 0 IHAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000009302086 556275822 /nfs/dbraw/zinc/27/58/22/556275822.db2.gz PJNRYSAVQHQPGZ-GOSISDBHSA-N 0 0 425.535 3.871 50 0 aggregator IHAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Br ZINC000009304748 556276188 /nfs/dbraw/zinc/27/61/88/556276188.db2.gz UKKOVLDJYBRTKJ-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COc1cc2oc(=O)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(C)c2cc1Cl ZINC000009306335 556276853 /nfs/dbraw/zinc/27/68/53/556276853.db2.gz SLMPOIRKSBKAIL-UHFFFAOYSA-N 0 0 438.871 3.584 50 0 IHAARN O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 ZINC000013690275 556279649 /nfs/dbraw/zinc/27/96/49/556279649.db2.gz BYYBMMMYSVDTPP-FPOVZHCZSA-N 0 0 432.904 3.723 50 0 IHAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(Br)cc1F ZINC000009321044 556280722 /nfs/dbraw/zinc/28/07/22/556280722.db2.gz IJKWTDGHJOZLRF-UHFFFAOYSA-N 0 0 441.260 3.703 50 0 IHAARN CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCC(O)CC3)cc1O2 ZINC000013691133 556280737 /nfs/dbraw/zinc/28/07/37/556280737.db2.gz MUBICXXWNZYWKS-UHFFFAOYSA-N 0 0 429.557 3.989 50 0 IHAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)NCCc3ccccc3)c2c1 ZINC000009319961 556280794 /nfs/dbraw/zinc/28/07/94/556280794.db2.gz FYXPPORAUMRGCZ-UHFFFAOYSA-N 0 0 441.531 3.981 50 0 IHAARN CN(C)c1ccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 ZINC000013691841 556281413 /nfs/dbraw/zinc/28/14/13/556281413.db2.gz SCLJADJNGOUNQD-ZCYQVOJMSA-N 0 0 436.577 3.644 50 0 IHAARN COc1ccc(-c2cc3ccc(OCC(=O)NCc4cccnc4)cc3oc2=O)cc1OC ZINC000013692517 556281983 /nfs/dbraw/zinc/28/19/83/556281983.db2.gz DAXLGTCQWDTJPO-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 IHAARN Cc1ccc(NC(=O)Cc2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1C ZINC000009327784 556282297 /nfs/dbraw/zinc/28/22/97/556282297.db2.gz APRDVUUGYLGTCA-UHFFFAOYSA-N 0 0 434.525 3.955 50 0 IHAARN O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 ZINC000013697171 556283240 /nfs/dbraw/zinc/28/32/40/556283240.db2.gz YMJRHZDFSJFJLH-UHFFFAOYSA-N 0 0 427.913 3.880 50 0 IHAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccn4)cc3N2)c1 ZINC000009411003 556288437 /nfs/dbraw/zinc/28/84/37/556288437.db2.gz FRVAWDIEEMWVBA-WMZOPIPTSA-N 0 0 431.418 3.877 50 0 IHAARN Cn1c(CCCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013725393 556292538 /nfs/dbraw/zinc/29/25/38/556292538.db2.gz NYZZCUWITHHDDM-UHFFFAOYSA-N 0 0 437.887 3.830 50 0 IHAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 ZINC000009447965 556292544 /nfs/dbraw/zinc/29/25/44/556292544.db2.gz RONAVVNVXVQDKC-FCORRRHLSA-N 0 0 441.597 3.546 50 0 IHAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nn12 ZINC000009480694 556293808 /nfs/dbraw/zinc/29/38/08/556293808.db2.gz FKEIYHAJYNJYJA-UHFFFAOYSA-N 0 0 428.568 3.912 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2cccc(F)c2c1C ZINC000032739277 556299679 /nfs/dbraw/zinc/29/96/79/556299679.db2.gz FHFJDVZRHOGTBC-UHFFFAOYSA-N 0 0 425.485 3.874 50 0 IHAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1Br ZINC000032739270 556299691 /nfs/dbraw/zinc/29/96/91/556299691.db2.gz FLVOIWSVVDCPAA-UHFFFAOYSA-N 0 0 435.318 3.632 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(Cl)cc2)cc1 ZINC000009600876 556302189 /nfs/dbraw/zinc/30/21/89/556302189.db2.gz FLZBBIPIZKZMRH-UHFFFAOYSA-N 0 0 436.961 3.802 50 0 IHAARN COc1cccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2Cc2ccco2)c1 ZINC000032741621 556303038 /nfs/dbraw/zinc/30/30/38/556303038.db2.gz NXZPREXLWPLEPT-UHFFFAOYSA-N 0 0 445.508 3.863 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CC2)no1 ZINC000032741383 556303113 /nfs/dbraw/zinc/30/31/13/556303113.db2.gz DOUGHIXGOGUOAB-UHFFFAOYSA-N 0 0 427.508 3.794 50 0 IHAARN O=C([C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 ZINC000032741584 556303151 /nfs/dbraw/zinc/30/31/51/556303151.db2.gz DCQCWQUVHHBPMK-LJQANCHMSA-N 0 0 445.928 3.994 50 0 IHAARN CC(C)c1nc2sc3c(ncnc3N(C[C@@H](C)O)C[C@H](C)O)c2c2c1COC(C)(C)C2 ZINC000013769202 556304250 /nfs/dbraw/zinc/30/42/50/556304250.db2.gz NXAUCXXODAHPJW-OKILXGFUSA-N 0 0 444.601 3.782 50 0 IHAARN O=C(NCCSCc1cccs1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000032744723 556304980 /nfs/dbraw/zinc/30/49/80/556304980.db2.gz UORCTWVDVMIACG-OAHLLOKOSA-N 0 0 427.638 3.691 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 ZINC000009829969 556309976 /nfs/dbraw/zinc/30/99/76/556309976.db2.gz DBQQXXDGYJZOLM-UHFFFAOYSA-N 0 0 433.493 3.878 50 0 IHAARN COc1ccc(CNC(=O)CSc2n[nH]cc3c4cc(F)ccc4nc2-3)cc1OC ZINC000032752904 556313899 /nfs/dbraw/zinc/31/38/99/556313899.db2.gz MEYZOXPSTXANGH-UHFFFAOYSA-N 0 0 426.473 3.676 50 0 IHAARN CSc1ncc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)n1-c1ccccc1 ZINC000032747350 556315975 /nfs/dbraw/zinc/31/59/75/556315975.db2.gz RSCXJXPGTQGEIP-UHFFFAOYSA-N 0 0 426.885 3.613 50 0 IHAARN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)c1 ZINC000009909006 556316267 /nfs/dbraw/zinc/31/62/67/556316267.db2.gz LBMWBEVUZHFCLS-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C)o2)c(OC)cc1Cl ZINC000009908209 556316300 /nfs/dbraw/zinc/31/63/00/556316300.db2.gz KSESHACFWQOPBY-SFHVURJKSA-N 0 0 429.864 3.778 50 0 IHAARN COc1cccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1OC ZINC000009906957 556316376 /nfs/dbraw/zinc/31/63/76/556316376.db2.gz NOKYILGCQCNDPS-SFHVURJKSA-N 0 0 425.876 3.876 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009934047 556317529 /nfs/dbraw/zinc/31/75/29/556317529.db2.gz QGGHNSFXUSDQTM-HXUWFJFHSA-N 0 0 425.460 3.943 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C ZINC000032754023 556323168 /nfs/dbraw/zinc/32/31/68/556323168.db2.gz USHRTWYKSGDHPS-UHFFFAOYSA-N 0 0 446.429 3.885 50 0 IHAARN COc1ccccc1-c1noc(COC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 ZINC000032754578 556323828 /nfs/dbraw/zinc/32/38/28/556323828.db2.gz IUVGLDIDIQILOP-UHFFFAOYSA-N 0 0 445.435 3.952 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000013880126 556325326 /nfs/dbraw/zinc/32/53/26/556325326.db2.gz YOFUAKMQUDFWNX-YQVWRLOYSA-N 0 0 443.617 3.884 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCCCN1C(=O)c2ccccc2C1=O ZINC000032776467 556326566 /nfs/dbraw/zinc/32/65/66/556326566.db2.gz UVGXWDGUFHGOID-JOCHJYFZSA-N 0 0 432.476 3.570 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000032776949 556326929 /nfs/dbraw/zinc/32/69/29/556326929.db2.gz MOZZAILXTVEFQQ-DLBZAZTESA-N 0 0 435.567 3.580 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000032774462 556336667 /nfs/dbraw/zinc/33/66/67/556336667.db2.gz TVUXMSXQCVXLNX-AWEZNQCLSA-N 0 0 435.509 3.957 50 0 IHAARN CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C ZINC000032776099 556337002 /nfs/dbraw/zinc/33/70/02/556337002.db2.gz XOUBLVYCGKYJGQ-RDJZCZTQSA-N 0 0 428.562 3.755 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013949345 556344236 /nfs/dbraw/zinc/34/42/36/556344236.db2.gz OXRROBCRJPJVIQ-HUUCEWRRSA-N 0 0 426.535 3.578 50 0 IHAARN CC[C@H](NC(=O)c1nn(C)cc1I)C12CC3CC(CC(C3)C1)C2 ZINC000013958820 556346341 /nfs/dbraw/zinc/34/63/41/556346341.db2.gz FSMKRVYULQIMFH-ZJZJNUNYSA-N 0 0 427.330 3.750 50 0 IHAARN O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000032786785 556349973 /nfs/dbraw/zinc/34/99/73/556349973.db2.gz OEAIVZUXFUIQEF-OAQYLSRUSA-N 0 0 438.553 3.761 50 0 IHAARN COc1cc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OCC(N)=O ZINC000014015273 556355522 /nfs/dbraw/zinc/35/55/22/556355522.db2.gz QNKRNBNNALOLAP-VIFPVBQESA-N 0 0 445.274 3.505 50 0 IHAARN C[C@H](NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)c1cccs1 ZINC000011816187 556358713 /nfs/dbraw/zinc/35/87/13/556358713.db2.gz QNBXEFFPHMQXRE-ZDUSSCGKSA-N 0 0 442.990 3.695 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)c1 ZINC000011817625 556360155 /nfs/dbraw/zinc/36/01/55/556360155.db2.gz OOZCNYRLQIFUKE-QGZVFWFLSA-N 0 0 434.533 3.962 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCn2nc(C)cc2C)C1 ZINC000011818301 556360478 /nfs/dbraw/zinc/36/04/78/556360478.db2.gz MZEOPXOQISUHTG-HSZRJFAPSA-N 0 0 431.964 3.958 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000014071251 556361136 /nfs/dbraw/zinc/36/11/36/556361136.db2.gz DVKYAPZOKLJECA-UHFFFAOYSA-N 0 0 440.949 3.705 50 0 IHAARN COc1cc(N2C[C@H](C(=O)Oc3cccc(Cl)c3Cl)CC2=O)cc(OC)c1OC ZINC000032796427 556361479 /nfs/dbraw/zinc/36/14/79/556361479.db2.gz YIRLDDKSKOSENI-LLVKDONJSA-N 0 0 440.279 3.978 50 0 IHAARN CN(Cc1cc[nH]n1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000011819791 556361993 /nfs/dbraw/zinc/36/19/93/556361993.db2.gz VQVYWPURSJOYJJ-UHFFFAOYSA-N 0 0 434.931 3.541 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000032796672 556362537 /nfs/dbraw/zinc/36/25/37/556362537.db2.gz BCFUJGGGRTWKHY-UHFFFAOYSA-N 0 0 431.521 3.973 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000014085336 556364155 /nfs/dbraw/zinc/36/41/55/556364155.db2.gz NCPLYVJIYVPDFL-HXUWFJFHSA-N 0 0 430.346 3.648 50 0 IHAARN COc1ccc(OCCN2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000014086515 556364765 /nfs/dbraw/zinc/36/47/65/556364765.db2.gz ZPKRFIKXFXICNF-UHFFFAOYSA-N 0 0 431.536 3.958 50 0 IHAARN CN(CC(=O)N1CCSc2ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032802009 556364950 /nfs/dbraw/zinc/36/49/50/556364950.db2.gz IWECNYCSQYOYHE-UHFFFAOYSA-N 0 0 431.366 3.753 50 0 IHAARN CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000011843133 556366313 /nfs/dbraw/zinc/36/63/13/556366313.db2.gz MCDFYELZMRMZIL-HXUWFJFHSA-N 0 0 441.915 3.543 50 0 IHAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)n2nc(CCCO)nc2N1 ZINC000011859611 556368278 /nfs/dbraw/zinc/36/82/78/556368278.db2.gz VIFSOODVXVVBGM-HXUWFJFHSA-N 0 0 441.894 3.923 50 0 IHAARN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011878469 556371030 /nfs/dbraw/zinc/37/10/30/556371030.db2.gz FWAVDTDJIQMTEX-LJQANCHMSA-N 0 0 430.556 3.505 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)cs1 ZINC000014129150 556374184 /nfs/dbraw/zinc/37/41/84/556374184.db2.gz ASUCUFJYYDSIIN-INIZCTEOSA-N 0 0 435.505 3.881 50 0 IHAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000014129633 556374790 /nfs/dbraw/zinc/37/47/90/556374790.db2.gz YLOFUWRQJJNJOO-UHFFFAOYSA-N 0 0 442.519 3.840 50 0 IHAARN O=S(=O)(c1ccc2oc(Nc3ccc4c(c3)OCCCO4)nc2c1)N1CCCCC1 ZINC000032801395 556376154 /nfs/dbraw/zinc/37/61/54/556376154.db2.gz VTFWBZPWRNUFDK-UHFFFAOYSA-N 0 0 429.498 3.907 50 0 IHAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 ZINC000014157344 556377980 /nfs/dbraw/zinc/37/79/80/556377980.db2.gz UYMLULTUPSOGRM-UHFFFAOYSA-N 0 0 426.889 3.916 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000011935617 556378368 /nfs/dbraw/zinc/37/83/68/556378368.db2.gz DQUNDIGQXZXPBR-RUZDIDTESA-N 0 0 441.547 3.775 50 0 IHAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 ZINC000011935307 556378405 /nfs/dbraw/zinc/37/84/05/556378405.db2.gz QZEXFWLWGOEKFN-UHFFFAOYSA-N 0 0 438.507 3.874 50 0 IHAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCCCN1CCOCC1 ZINC000014183901 556383686 /nfs/dbraw/zinc/38/36/86/556383686.db2.gz KIZQDWGNFDZXGZ-UHFFFAOYSA-N 0 0 427.495 3.884 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000014183950 556384076 /nfs/dbraw/zinc/38/40/76/556384076.db2.gz GJFKEZLMYJMSEC-ZIAGYGMSSA-N 0 0 433.401 3.899 50 0 IHAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1cccn1 ZINC000012019916 556386617 /nfs/dbraw/zinc/38/66/17/556386617.db2.gz DNQQBNHESWFYPD-HXUWFJFHSA-N 0 0 446.555 3.937 50 0 IHAARN CC[C@H]1CCCCN1C(=O)c1sc2ncnc(NCCCN3CCCC3=O)c2c1C ZINC000012025122 556387510 /nfs/dbraw/zinc/38/75/10/556387510.db2.gz XUKAIDXAXPAKKQ-INIZCTEOSA-N 0 0 429.590 3.829 50 0 IHAARN CCn1c(SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)nnc1-c1ccco1 ZINC000014200816 556391413 /nfs/dbraw/zinc/39/14/13/556391413.db2.gz UUGTYKHGRBBMMI-UHFFFAOYSA-N 0 0 436.541 3.554 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014202269 556392684 /nfs/dbraw/zinc/39/26/84/556392684.db2.gz ABLGYVBJVOXQBK-DEOSSOPVSA-N 0 0 445.563 3.968 50 0 IHAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012055342 556393827 /nfs/dbraw/zinc/39/38/27/556393827.db2.gz OKVQHSCLTBETKI-UHFFFAOYSA-N 0 0 442.951 3.676 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(I)cc1 ZINC000032809408 556394186 /nfs/dbraw/zinc/39/41/86/556394186.db2.gz RKTJCXZZSPTKRV-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 ZINC000012062066 556395184 /nfs/dbraw/zinc/39/51/84/556395184.db2.gz JCLHCYSMIYRTRR-LJQANCHMSA-N 0 0 446.551 3.824 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000014227801 556395405 /nfs/dbraw/zinc/39/54/05/556395405.db2.gz VDLJDXRBJCDFHA-UHFFFAOYSA-N 0 0 430.526 3.551 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014233205 556398509 /nfs/dbraw/zinc/39/85/09/556398509.db2.gz NQUHERQIOHPUJI-UHFFFAOYSA-N 0 0 426.538 3.561 50 0 IHAARN CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000032814996 556400958 /nfs/dbraw/zinc/40/09/58/556400958.db2.gz VXKWEWWWBXGMQJ-UHFFFAOYSA-N 0 0 436.961 3.877 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000014241972 556402358 /nfs/dbraw/zinc/40/23/58/556402358.db2.gz XMMULBSKDFVXAE-QFIPXVFZSA-N 0 0 438.871 3.530 50 0 IHAARN COc1cc(CCC2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc(OC)c1 ZINC000014242289 556402932 /nfs/dbraw/zinc/40/29/32/556402932.db2.gz RHOZBACPXKVYBN-UHFFFAOYSA-N 0 0 429.561 3.561 50 0 IHAARN COC1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)CC1 ZINC000012317009 556403363 /nfs/dbraw/zinc/40/33/63/556403363.db2.gz XYOQYBCKBAQPML-UHFFFAOYSA-N 0 0 438.959 3.797 50 0 IHAARN CNC(=O)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000014244214 556403850 /nfs/dbraw/zinc/40/38/50/556403850.db2.gz QIZBHKUXVUEZMP-FQEVSTJZSA-N 0 0 446.532 3.569 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000014245343 556405251 /nfs/dbraw/zinc/40/52/51/556405251.db2.gz VBZTWRFKJRTSIB-UHFFFAOYSA-N 0 0 441.837 3.635 50 0 IHAARN CCNc1nc(-n2cnc(SCc3ccc(Cl)cc3)n2)nc(N2CCCCC2)n1 ZINC000032598770 556408053 /nfs/dbraw/zinc/40/80/53/556408053.db2.gz IQRQPUITRQJGNI-UHFFFAOYSA-N 0 0 430.969 3.820 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219318004 556409319 /nfs/dbraw/zinc/40/93/19/556409319.db2.gz SZBKLGSHPBTAQG-IBGZPJMESA-N 0 0 440.537 3.536 50 0 IHAARN COc1cc2nc(CN3CCC(C(=O)c4ccc(C)cc4C)CC3)[nH]c(=O)c2cc1OC ZINC000032825543 556410915 /nfs/dbraw/zinc/41/09/15/556410915.db2.gz DSNWKXXZPXONGX-UHFFFAOYSA-N 0 0 435.524 3.652 50 0 IHAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)c12 ZINC000014337299 556413447 /nfs/dbraw/zinc/41/34/47/556413447.db2.gz ZZUBDDANEVFGQJ-UHFFFAOYSA-N 0 0 446.463 3.880 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n1 ZINC000032671870 556414475 /nfs/dbraw/zinc/41/44/75/556414475.db2.gz BSRAFLRNSUUKDM-OAHLLOKOSA-N 0 0 428.539 3.847 50 0 IHAARN COC(=O)c1ccc(COc2ccc([C@H]3NC(=O)c4ccccc4N3C)cc2OC)cc1 ZINC000032666145 556417366 /nfs/dbraw/zinc/41/73/66/556417366.db2.gz JLDLYACKBOCRHJ-QHCPKHFHSA-N 0 0 432.476 3.939 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000032836925 556418503 /nfs/dbraw/zinc/41/85/03/556418503.db2.gz BGVMNRSRZBHGDE-HXUWFJFHSA-N 0 0 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ZINC000012976004 556421594 /nfs/dbraw/zinc/42/15/94/556421594.db2.gz JCLIAGFNWUJQIC-GFCCVEGCSA-N 0 0 432.329 3.638 50 0 IHAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)C(C)(C)C)CC2=O)cc1 ZINC000014538217 556424376 /nfs/dbraw/zinc/42/43/76/556424376.db2.gz FBFRXVDLXHHQJW-NRFANRHFSA-N 0 0 442.531 3.637 50 0 IHAARN CCn1c2ncc(N[C@H](C)CC(F)(F)F)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014538778 556424604 /nfs/dbraw/zinc/42/46/04/556424604.db2.gz QEYIGZHCCNKZLU-VXGBXAGGSA-N 0 0 442.438 3.571 50 0 IHAARN COc1cc(Br)c(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC ZINC000012985931 556426805 /nfs/dbraw/zinc/42/68/05/556426805.db2.gz VMSTVCJVGGMSAF-UHFFFAOYSA-N 0 0 433.302 3.774 50 0 IHAARN Cc1nc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)n(C)c2)cs1 ZINC000032842923 556428226 /nfs/dbraw/zinc/42/82/26/556428226.db2.gz ZSNORYDDUXSGBW-UHFFFAOYSA-N 0 0 444.988 3.947 50 0 IHAARN COC(=O)c1cnc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)s1 ZINC000032843453 556428766 /nfs/dbraw/zinc/42/87/66/556428766.db2.gz AMXFPCLYQXCKBD-CYBMUJFWSA-N 0 0 430.313 3.630 50 0 IHAARN COc1ccc(CN(CC(F)(F)F)C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 ZINC000032848226 556430674 /nfs/dbraw/zinc/43/06/74/556430674.db2.gz WNGHVWNCQRMMFQ-UHFFFAOYSA-N 0 0 434.414 3.581 50 0 IHAARN COc1cc(/C=C/C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)ccc1OC(F)F ZINC000014678671 556431910 /nfs/dbraw/zinc/43/19/10/556431910.db2.gz IIQUXIBRIHSMMU-XVNBXDOJSA-N 0 0 442.344 3.688 50 0 IHAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000032853704 556432226 /nfs/dbraw/zinc/43/22/26/556432226.db2.gz BPAMPVXBTSPXKT-VWLOTQADSA-N 0 0 425.536 3.832 50 0 IHAARN CCCCCCn1nc(C(=O)O[C@H](C)C(=O)NCc2cccs2)c2ccccc2c1=O ZINC000012998389 556432283 /nfs/dbraw/zinc/43/22/83/556432283.db2.gz IOQCNDKKXAJGFJ-MRXNPFEDSA-N 0 0 441.553 3.900 50 0 IHAARN CCOC(=O)c1ccc(OC[C@@H](O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000032854183 556432372 /nfs/dbraw/zinc/43/23/72/556432372.db2.gz YPMLEVFLXOBXGX-CQSZACIVSA-N 0 0 429.523 3.653 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(OC)c1 ZINC000032854628 556432617 /nfs/dbraw/zinc/43/26/17/556432617.db2.gz WFBLEYHVQVGLIB-QFIPXVFZSA-N 0 0 446.459 3.676 50 0 IHAARN Cc1c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000014701018 556433210 /nfs/dbraw/zinc/43/32/10/556433210.db2.gz HLOLSDDCYWWSHN-UHFFFAOYSA-N 0 0 448.910 3.600 50 0 IHAARN CC(=O)c1cc(CCC(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)oc1C ZINC000032858431 556434818 /nfs/dbraw/zinc/43/48/18/556434818.db2.gz ZQOHZKACSSDGIZ-UHFFFAOYSA-N 0 0 434.448 3.818 50 0 IHAARN Cc1csc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000013005756 556434813 /nfs/dbraw/zinc/43/48/13/556434813.db2.gz RDDROXGIFIUAID-CQSZACIVSA-N 0 0 425.601 3.745 50 0 IHAARN COc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC000027956593 556436010 /nfs/dbraw/zinc/43/60/10/556436010.db2.gz CKCMHJLETOOIAL-INIZCTEOSA-N 0 0 437.489 3.530 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000013014736 556437019 /nfs/dbraw/zinc/43/70/19/556437019.db2.gz JGJCGRVOXSIWKY-UHFFFAOYSA-N 0 0 441.505 3.531 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000013016537 556438057 /nfs/dbraw/zinc/43/80/57/556438057.db2.gz DBCVGUTVGQYHDR-UHFFFAOYSA-N 0 0 434.496 3.524 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)n2C)c1 ZINC000013018252 556439409 /nfs/dbraw/zinc/43/94/09/556439409.db2.gz QAPTVEJKVRJXAM-UHFFFAOYSA-N 0 0 443.960 3.633 50 0 IHAARN CCOc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000013027498 556440978 /nfs/dbraw/zinc/44/09/78/556440978.db2.gz LYKZVSOVPVZMRG-XMMPIXPASA-N 0 0 442.515 3.951 50 0 IHAARN Cc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)oc12 ZINC000027995158 556441081 /nfs/dbraw/zinc/44/10/81/556441081.db2.gz HDEQJRFELJAXJI-UHFFFAOYSA-N 0 0 440.521 3.918 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000028022913 556441923 /nfs/dbraw/zinc/44/19/23/556441923.db2.gz NQVHIWOKJIQJJT-KRWDZBQOSA-N 0 0 430.480 3.981 50 0 IHAARN COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014749854 556442938 /nfs/dbraw/zinc/44/29/38/556442938.db2.gz KMCAMMJQCHOTAP-UHFFFAOYSA-N 0 0 446.551 3.613 50 0 IHAARN O=C(c1cc(Cl)nc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013037774 556443260 /nfs/dbraw/zinc/44/32/60/556443260.db2.gz KPSVLAYFCBYCGN-OAHLLOKOSA-N 0 0 448.910 3.946 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000032957829 556445001 /nfs/dbraw/zinc/44/50/01/556445001.db2.gz JTNJADDOTZOBMI-UHFFFAOYSA-N 0 0 440.521 3.929 50 0 IHAARN CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000028199093 556445189 /nfs/dbraw/zinc/44/51/89/556445189.db2.gz AGPHXOOUZQYXBA-UHFFFAOYSA-N 0 0 426.991 3.503 50 0 IHAARN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)NCCc1ccc2c(c1)OCCO2 ZINC000014780260 556445435 /nfs/dbraw/zinc/44/54/35/556445435.db2.gz XKJGAZSANFKGTI-UHFFFAOYSA-N 0 0 445.471 3.802 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013039955 556445659 /nfs/dbraw/zinc/44/56/59/556445659.db2.gz HPZFNOKLOLNXCR-ICSRJNTNSA-N 0 0 443.613 3.842 50 0 IHAARN COCCOC(=O)c1sc2[nH]c(CN[C@H](C)c3ccccc3Cl)nc(=O)c2c1C ZINC000013040152 556445948 /nfs/dbraw/zinc/44/59/48/556445948.db2.gz VXPDQRZRVTXODN-GFCCVEGCSA-N 0 0 435.933 3.600 50 0 IHAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028228515 556446351 /nfs/dbraw/zinc/44/63/51/556446351.db2.gz LQBQJARPEVBOQR-PXNSSMCTSA-N 0 0 439.936 3.852 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000013042245 556448220 /nfs/dbraw/zinc/44/82/20/556448220.db2.gz ZDKQZPJFGLAYRG-UHFFFAOYSA-N 0 0 445.585 3.787 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OC[C@H]3CC3(Cl)Cl)c2)cc1 ZINC000014852041 556450147 /nfs/dbraw/zinc/45/01/47/556450147.db2.gz NKULYVHHCHWLOD-CYBMUJFWSA-N 0 0 430.309 3.847 50 0 IHAARN C[C@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000013061067 556450341 /nfs/dbraw/zinc/45/03/41/556450341.db2.gz 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COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3c(C)n[nH]c3C)CCC(=O)N2)c2ccccc12 ZINC000014982993 556471731 /nfs/dbraw/zinc/47/17/31/556471731.db2.gz BTADZGBJBFZIGM-SANMLTNESA-N 0 0 448.567 3.818 50 0 IHAARN O=C(CN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1)NC1CC1 ZINC000013120842 556472901 /nfs/dbraw/zinc/47/29/01/556472901.db2.gz IQABVFAYTXEOHI-UHFFFAOYSA-N 0 0 446.576 3.514 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 ZINC000013120924 556473299 /nfs/dbraw/zinc/47/32/99/556473299.db2.gz MARHEICFEIIWMU-DEOSSOPVSA-N 0 0 438.487 3.783 50 0 IHAARN O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)cc1 ZINC000029382041 556473951 /nfs/dbraw/zinc/47/39/51/556473951.db2.gz AIYWUEHGQSKVMO-UHFFFAOYSA-N 0 0 444.409 3.890 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000013126719 556475543 /nfs/dbraw/zinc/47/55/43/556475543.db2.gz PAZACWWEPJFIEH-OAQYLSRUSA-N 0 0 440.503 3.905 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1csc(-c2cccc(OC)c2OC)n1)c1cccs1 ZINC000029632888 556479344 /nfs/dbraw/zinc/47/93/44/556479344.db2.gz QKYBVMJTLZUXMP-ZDUSSCGKSA-N 0 0 432.523 3.923 50 0 IHAARN O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013130279 556479838 /nfs/dbraw/zinc/47/98/38/556479838.db2.gz VXFKIHSAOLPRJD-UHFFFAOYSA-N 0 0 425.913 3.704 50 0 IHAARN O=C(CSc1ccccc1Br)N1CCN(C(=O)c2cccs2)CC1 ZINC000029745060 556481113 /nfs/dbraw/zinc/48/11/13/556481113.db2.gz GTOGWNDTHPYVHZ-UHFFFAOYSA-N 0 0 425.373 3.587 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)F ZINC000029755327 556481608 /nfs/dbraw/zinc/48/16/08/556481608.db2.gz ZIJGOXNRUAVHGR-JOCHJYFZSA-N 0 0 429.423 3.616 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CSc1nc2ccccc2s1 ZINC000013133915 556481812 /nfs/dbraw/zinc/48/18/12/556481812.db2.gz UJRBKKBSOVWFKR-UHFFFAOYSA-N 0 0 432.523 3.936 50 0 IHAARN COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000013137774 556484752 /nfs/dbraw/zinc/48/47/52/556484752.db2.gz AEWVLRBLPWNGGJ-UHFFFAOYSA-N 0 0 439.512 3.940 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)ccc1C ZINC000013139123 556485660 /nfs/dbraw/zinc/48/56/60/556485660.db2.gz CBJNZZLMNLJMJC-UHFFFAOYSA-N 0 0 434.558 3.614 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1cccc(C)c1 ZINC000013139273 556485701 /nfs/dbraw/zinc/48/57/01/556485701.db2.gz QCFNRIHTSKLYBT-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1cccnc1-n1ccnc1 ZINC000029912153 556486293 /nfs/dbraw/zinc/48/62/93/556486293.db2.gz UXHXBWAYJYIJHR-UHFFFAOYSA-N 0 0 427.468 3.783 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000015019370 556487830 /nfs/dbraw/zinc/48/78/30/556487830.db2.gz HKPVEHNEYHXHEH-UHFFFAOYSA-N 0 0 430.555 3.981 50 0 IHAARN COc1cccc(Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)c1 ZINC000013146054 556488064 /nfs/dbraw/zinc/48/80/64/556488064.db2.gz LLHYEHKBQCLGRN-UHFFFAOYSA-N 0 0 430.508 3.580 50 0 IHAARN COc1ccc(NC(=O)c2cccc3ncccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000032871975 556489841 /nfs/dbraw/zinc/48/98/41/556489841.db2.gz NJOYYYUZNRQWGZ-UHFFFAOYSA-N 0 0 425.510 3.670 50 0 IHAARN CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 ZINC000013148505 556490019 /nfs/dbraw/zinc/49/00/19/556490019.db2.gz GOBAYOXAATWOGC-UHFFFAOYSA-N 0 0 439.537 3.631 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1c(C)nc3ccccc3c1=O)C[C@H](C)CC2 ZINC000013148875 556490350 /nfs/dbraw/zinc/49/03/50/556490350.db2.gz LUZNXVMJJXOECH-CYBMUJFWSA-N 0 0 439.537 3.707 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)(C3)C2 ZINC000013148987 556490748 /nfs/dbraw/zinc/49/07/48/556490748.db2.gz JKYBZCXUAMSLEM-PPFFJVLGSA-N 0 0 436.911 3.824 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2ncn(CC(=O)N(C)Cc2ccc(Cl)s2)c3=O)c1 ZINC000013149588 556491378 /nfs/dbraw/zinc/49/13/78/556491378.db2.gz PHJKIDCKBLQPGM-UHFFFAOYSA-N 0 0 441.944 3.573 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)cc1OC ZINC000015066862 556492906 /nfs/dbraw/zinc/49/29/06/556492906.db2.gz 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O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000013164994 556497756 /nfs/dbraw/zinc/49/77/56/556497756.db2.gz MZGQOEMDSHJCOW-UHFFFAOYSA-N 0 0 426.523 3.571 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2cccs2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015074583 556498405 /nfs/dbraw/zinc/49/84/05/556498405.db2.gz OTGOITZSIWSVQR-OAQYLSRUSA-N 0 0 425.598 3.725 50 0 IHAARN COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000015080204 556500809 /nfs/dbraw/zinc/50/08/09/556500809.db2.gz CSDISOZPHUKWIZ-UHFFFAOYSA-N 0 0 443.487 3.720 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000030684141 556501738 /nfs/dbraw/zinc/50/17/38/556501738.db2.gz MJFFVTXAYZLHQA-GOSISDBHSA-N 0 0 438.858 3.614 50 0 IHAARN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000013366280 556503503 /nfs/dbraw/zinc/50/35/03/556503503.db2.gz CAKQIVIFIHXUCX-QHCPKHFHSA-N 0 0 444.531 3.630 50 0 biogenic IHAARN C[C@@H]1[C@H](c2ccccc2)OCCN1C(=O)CCC(=O)N1CCO[C@@H](c2ccccc2)[C@@H]1C ZINC000013467632 556507202 /nfs/dbraw/zinc/50/72/02/556507202.db2.gz TVNQPXYDUXKBNI-KYVQNOJUSA-N 0 0 436.552 3.744 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)NCCC2=CCCCC2)c2cc(C)c(C)cc2N1 ZINC000064869422 556507585 /nfs/dbraw/zinc/50/75/85/556507585.db2.gz KSSYLLKATAFVKE-UHFFFAOYSA-N 0 0 425.529 3.516 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032880009 556507880 /nfs/dbraw/zinc/50/78/80/556507880.db2.gz RUDBBALURZEVMI-AWEZNQCLSA-N 0 0 444.890 3.794 50 0 IHAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015181818 556508772 /nfs/dbraw/zinc/50/87/72/556508772.db2.gz NLFBDDBYIQNDII-SECBINFHSA-N 0 0 427.960 3.716 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 ZINC000032882894 556509392 /nfs/dbraw/zinc/50/93/92/556509392.db2.gz XZFSTVRILHTMBB-OALUTQOASA-N 0 0 434.515 3.960 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032888531 556511442 /nfs/dbraw/zinc/51/14/42/556511442.db2.gz GXFCUKGYEJIDGQ-HSZRJFAPSA-N 0 0 437.565 3.787 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000013533401 556512896 /nfs/dbraw/zinc/51/28/96/556512896.db2.gz VTXZYWVSGTZTEZ-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000013533373 556512977 /nfs/dbraw/zinc/51/29/77/556512977.db2.gz OSLBTFQEQGUTBN-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000030902149 556514866 /nfs/dbraw/zinc/51/48/66/556514866.db2.gz GEFFHEXNJVANFQ-OAQYLSRUSA-N 0 0 441.491 3.865 50 0 IHAARN Cc1noc2ncc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc12 ZINC000030897928 556514924 /nfs/dbraw/zinc/51/49/24/556514924.db2.gz GFCHSDMEYPCXIZ-UHFFFAOYSA-N 0 0 425.798 3.561 50 0 IHAARN COc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1Cl ZINC000013554901 556515788 /nfs/dbraw/zinc/51/57/88/556515788.db2.gz GGXNGHGWEYIOIU-UHFFFAOYSA-N 0 0 426.904 3.899 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 ZINC000032899065 556518273 /nfs/dbraw/zinc/51/82/73/556518273.db2.gz ABWUZMVJYSZTQV-QGZVFWFLSA-N 0 0 425.554 3.672 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCO2 ZINC000013566837 556520275 /nfs/dbraw/zinc/52/02/75/556520275.db2.gz HXTYQVSPWAWZGJ-UHFFFAOYSA-N 0 0 440.477 3.612 50 0 IHAARN C[S@@](=O)C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000072298102 556521539 /nfs/dbraw/zinc/52/15/39/556521539.db2.gz UAFNMVMWUGAGGB-ZTOMLWHTSA-N 0 0 441.574 3.510 50 0 IHAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000013570017 556521558 /nfs/dbraw/zinc/52/15/58/556521558.db2.gz FBWRJZNLXTVCAN-UHFFFAOYSA-N 0 0 433.552 3.732 50 0 IHAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 ZINC000013571579 556522250 /nfs/dbraw/zinc/52/22/50/556522250.db2.gz PPHBSGRLTVADDI-MRXNPFEDSA-N 0 0 449.529 3.756 50 0 IHAARN Cn1c2c(c(-c3ccc(C(C)(C)C)cc3)n3c2[C@H](c2ccco2)OCC3)c(=O)n(C)c1=O ZINC000013572543 556523322 /nfs/dbraw/zinc/52/33/22/556523322.db2.gz KFBULTKFQVBUTC-QFIPXVFZSA-N 0 0 433.508 3.716 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000013591021 556529455 /nfs/dbraw/zinc/52/94/55/556529455.db2.gz TVELGFXONBTXQH-QJEYFVJQSA-N 0 0 436.558 3.525 50 0 IHAARN O=C(NCc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000015468498 556529516 /nfs/dbraw/zinc/52/95/16/556529516.db2.gz BOUNLRKGYAUTOC-XMMPIXPASA-N 0 0 441.531 3.500 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3ccc(C(F)(F)F)cn32)cc1OC ZINC000032899845 556531312 /nfs/dbraw/zinc/53/13/12/556531312.db2.gz HFQOHWCFCRSFHA-LLVKDONJSA-N 0 0 440.447 3.562 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 ZINC000015640971 556539985 /nfs/dbraw/zinc/53/99/85/556539985.db2.gz VFCWHCNZAZGRKP-UHFFFAOYSA-N 0 0 446.960 3.868 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)c1 ZINC000015679389 556543100 /nfs/dbraw/zinc/54/31/00/556543100.db2.gz GQOFPEZEZJWGLU-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3C2=O)c1 ZINC000015717339 556544640 /nfs/dbraw/zinc/54/46/40/556544640.db2.gz YXNDBPMSRQZQBR-UHFFFAOYSA-N 0 0 425.444 3.703 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 ZINC000013655986 556546226 /nfs/dbraw/zinc/54/62/26/556546226.db2.gz HMZSGZQGLXOMFR-LJQANCHMSA-N 0 0 432.524 3.936 50 0 IHAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccccc4F)CC3)cc2s1 ZINC000032959674 556549541 /nfs/dbraw/zinc/54/95/41/556549541.db2.gz VUUBZPIJPBFLBC-UHFFFAOYSA-N 0 0 426.517 3.675 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(CCOc4ccc(SC)cc4)CC3)n2)cc1 ZINC000072304842 556549657 /nfs/dbraw/zinc/54/96/57/556549657.db2.gz NFJBDKGZHXYXLQ-UHFFFAOYSA-N 0 0 440.569 3.664 50 0 IHAARN C/C=C/c1ccc(OC[C@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 ZINC000072305041 556549919 /nfs/dbraw/zinc/54/99/19/556549919.db2.gz WMQMCRPTMLJPRC-FHHGHWCOSA-N 0 0 449.494 3.812 50 0 IHAARN Cc1c(Cl)c(CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)nc2ccccc12 ZINC000032905070 556550164 /nfs/dbraw/zinc/55/01/64/556550164.db2.gz FVKZSLNRQYTYDY-CQSZACIVSA-N 0 0 445.976 3.677 50 0 IHAARN Cc1oc(-c2cccs2)nc1CSc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000032905076 556550288 /nfs/dbraw/zinc/55/02/88/556550288.db2.gz OOQYFRIRTTXSFA-UHFFFAOYSA-N 0 0 429.527 3.655 50 0 IHAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000015778897 556550880 /nfs/dbraw/zinc/55/08/80/556550880.db2.gz FVNPPFOGXFAURN-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000033115328 556555018 /nfs/dbraw/zinc/55/50/18/556555018.db2.gz ZEYHBPHDDBGGFY-OAQYLSRUSA-N 0 0 442.581 3.739 50 0 IHAARN CC(C)CN(CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(O)c1 ZINC000072308468 556565019 /nfs/dbraw/zinc/56/50/19/556565019.db2.gz WGZZDXZLEVDOBO-UHFFFAOYSA-N 0 0 437.584 3.595 50 0 IHAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)cn1 ZINC000015934747 556565649 /nfs/dbraw/zinc/56/56/49/556565649.db2.gz PSHFLRJOJHWULG-UHFFFAOYSA-N 0 0 442.825 3.547 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 ZINC000015999093 556572420 /nfs/dbraw/zinc/57/24/20/556572420.db2.gz KOBUFEKEZOUFMN-WFASDCNBSA-N 0 0 427.498 3.795 50 0 IHAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000016015251 556574436 /nfs/dbraw/zinc/57/44/36/556574436.db2.gz HMZRHQBAHLIOIZ-UHFFFAOYSA-N 0 0 439.471 3.627 50 0 IHAARN Cc1ccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 ZINC000016021739 556575069 /nfs/dbraw/zinc/57/50/69/556575069.db2.gz VBBBQBRARLYXNR-OAQYLSRUSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1Cl ZINC000016312954 556575440 /nfs/dbraw/zinc/57/54/40/556575440.db2.gz BQIWQNITYBCUGE-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Nn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccccc1Cl ZINC000032910413 556575580 /nfs/dbraw/zinc/57/55/80/556575580.db2.gz CNIFVLMRVHYFRA-UHFFFAOYSA-N 0 0 440.941 3.827 50 0 IHAARN CCc1ccc([C@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032910436 556575708 /nfs/dbraw/zinc/57/57/08/556575708.db2.gz YLWDNPXGXVXZRB-HNNXBMFYSA-N 0 0 433.537 3.641 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000072310114 556578896 /nfs/dbraw/zinc/57/88/96/556578896.db2.gz GNSFFPOBRIKEIQ-LJQANCHMSA-N 0 0 435.557 3.862 50 0 IHAARN CN1C(=O)c2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)cc2C1=O ZINC000016046667 556580329 /nfs/dbraw/zinc/58/03/29/556580329.db2.gz YJJBXXGKMCWTHJ-UHFFFAOYSA-N 0 0 441.487 3.557 50 0 IHAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000016097363 556582771 /nfs/dbraw/zinc/58/27/71/556582771.db2.gz KSMPADFWLMTKPI-UHFFFAOYSA-N 0 0 435.553 3.745 50 0 IHAARN O=S(=O)(Nc1ccc(I)cc1)c1cccc(Br)c1 ZINC000016125337 556584624 /nfs/dbraw/zinc/58/46/24/556584624.db2.gz JWANVDPXUFLTOT-UHFFFAOYSA-N 0 0 438.084 3.855 50 0 IHAARN O=C(COc1ccc(Br)cc1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000032911967 556585290 /nfs/dbraw/zinc/58/52/90/556585290.db2.gz GTOYUGDXPBMCMA-UHFFFAOYSA-N 0 0 432.240 3.860 50 0 IHAARN Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000016147036 556585562 /nfs/dbraw/zinc/58/55/62/556585562.db2.gz NPQQIUBVKHAIBZ-UHFFFAOYSA-N 0 0 430.570 3.629 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCC(=O)c1ccc(OCC)cc1 ZINC000032964095 556586587 /nfs/dbraw/zinc/58/65/87/556586587.db2.gz OUJPCXVVXFKJQU-UHFFFAOYSA-N 0 0 426.513 3.934 50 0 IHAARN C[C@@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccccc2)C[C@@H](C)O1 ZINC000034921909 556586605 /nfs/dbraw/zinc/58/66/05/556586605.db2.gz IUAPSJYMLKIQFN-HZPDHXFCSA-N 0 0 432.480 3.865 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000016212919 556591116 /nfs/dbraw/zinc/59/11/16/556591116.db2.gz LMIPLAQURCUKQZ-OAHLLOKOSA-N 0 0 426.494 3.608 50 0 IHAARN O=c1/c(=C\c2cccnc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000016213254 556591134 /nfs/dbraw/zinc/59/11/34/556591134.db2.gz UGHXOBDGPHXBON-WVWKGNOCSA-N 0 0 427.554 3.775 50 0 IHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000100860558 556597924 /nfs/dbraw/zinc/59/79/24/556597924.db2.gz HCEYSYXIBIOZOW-QURGRASLSA-N 0 0 431.583 3.792 50 0 IHAARN Cc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@H]3C)nc2-c2cccs2)cc1 ZINC000016311644 556599690 /nfs/dbraw/zinc/59/96/90/556599690.db2.gz QRGFGBXLXHHYNY-HZPDHXFCSA-N 0 0 433.541 3.770 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000032975639 556600186 /nfs/dbraw/zinc/60/01/86/556600186.db2.gz PWSWRZIHJUSABO-OALUTQOASA-N 0 0 426.538 3.779 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1Br ZINC000016331639 556600769 /nfs/dbraw/zinc/60/07/69/556600769.db2.gz WRUKTPZDBHEMJC-LLVKDONJSA-N 0 0 444.376 3.875 50 0 IHAARN COC(=O)[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2O1 ZINC000032983165 556601591 /nfs/dbraw/zinc/60/15/91/556601591.db2.gz USRIGEOSKRYAML-QHCPKHFHSA-N 0 0 433.460 3.855 50 0 IHAARN COCc1c2ccccc2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000032983188 556601653 /nfs/dbraw/zinc/60/16/53/556601653.db2.gz AQLGXSTURGNGFD-INIZCTEOSA-N 0 0 447.491 3.637 50 0 IHAARN CC[C@@H](C)NC(=O)CCN(CCOC)C(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000037426555 556603695 /nfs/dbraw/zinc/60/36/95/556603695.db2.gz VKDJYYZZJLCCFU-CQSZACIVSA-N 0 0 438.981 3.934 50 0 IHAARN CCn1c2cc(Br)c(NS(=O)(=O)c3ccc(C)cc3)cc2n(CC)c1=O ZINC000016426050 556606525 /nfs/dbraw/zinc/60/65/25/556606525.db2.gz BOIUFDYWDBPFEU-UHFFFAOYSA-N 0 0 438.347 3.715 50 0 IHAARN CCOc1cc(-c2noc(CCCC(=O)NC(C)C)n2)cc(Br)c1OC ZINC000013494732 556607220 /nfs/dbraw/zinc/60/72/20/556607220.db2.gz UEGCSNISJZGLTP-UHFFFAOYSA-N 0 0 426.311 3.754 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccnn3Cc3ccco3)cc2)c1 ZINC000032988117 556608699 /nfs/dbraw/zinc/60/86/99/556608699.db2.gz JPDZJGZOXJBJCG-UHFFFAOYSA-N 0 0 446.463 3.803 50 0 IHAARN COc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495066 556608788 /nfs/dbraw/zinc/60/87/88/556608788.db2.gz TWZKHVKUJCFQSQ-NSHDSACASA-N 0 0 438.303 3.547 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCCc1ccccc1 ZINC000032987247 556609505 /nfs/dbraw/zinc/60/95/05/556609505.db2.gz ULVXIDCDYWRKCJ-UHFFFAOYSA-N 0 0 444.557 3.912 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(c4ncccn4)CC3)ccc21 ZINC000016483366 556611666 /nfs/dbraw/zinc/61/16/66/556611666.db2.gz BUAATYAYELYSLN-GOSISDBHSA-N 0 0 428.540 3.754 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000016488184 556611868 /nfs/dbraw/zinc/61/18/68/556611868.db2.gz NHJOJSWSDXIVDU-UHFFFAOYSA-N 0 0 448.588 3.927 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000013496438 556612655 /nfs/dbraw/zinc/61/26/55/556612655.db2.gz CFXKFDBVNRLNNP-DNVJHFABSA-N 0 0 443.478 3.702 50 0 IHAARN COc1ccc(-n2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)cc1 ZINC000038486931 556612815 /nfs/dbraw/zinc/61/28/15/556612815.db2.gz FXHJNVPBDFZKSL-UHFFFAOYSA-N 0 0 440.415 3.840 50 0 IHAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000016513201 556613288 /nfs/dbraw/zinc/61/32/88/556613288.db2.gz KVKSCOKDSSPNQF-UHFFFAOYSA-N 0 0 442.519 3.842 50 0 IHAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000032916264 556615059 /nfs/dbraw/zinc/61/50/59/556615059.db2.gz ITWPEEKWUAHXRB-IBGZPJMESA-N 0 0 431.323 3.973 50 0 IHAARN COc1cc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc(OC)c1OC ZINC000004998189 556618903 /nfs/dbraw/zinc/61/89/03/556618903.db2.gz RZRAROJUIRQBKY-UHFFFAOYSA-N 0 0 425.485 3.990 50 0 IHAARN CSc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCC1 ZINC000016652382 556621016 /nfs/dbraw/zinc/62/10/16/556621016.db2.gz LZXSRJIKURWRNN-UHFFFAOYSA-N 0 0 434.627 3.892 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccncc2)Cc2cccnc2)CC1 ZINC000016681141 556623777 /nfs/dbraw/zinc/62/37/77/556623777.db2.gz ZQNCRWHUUDKIRH-CMDGGOBGSA-N 0 0 440.547 3.957 50 0 IHAARN NC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000016733680 556632516 /nfs/dbraw/zinc/63/25/16/556632516.db2.gz XCPZNWYDZTZOGM-FQEVSTJZSA-N 0 0 439.562 3.838 50 0 IHAARN Cc1ccsc1CN(C(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000016749675 556636538 /nfs/dbraw/zinc/63/65/38/556636538.db2.gz KZULSVDJDOCZCF-ZDUSSCGKSA-N 0 0 428.373 3.649 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000016742529 556636586 /nfs/dbraw/zinc/63/65/86/556636586.db2.gz YXSUVLVPCWZRFR-LBPRGKRZSA-N 0 0 440.978 3.667 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000409415200 556641701 /nfs/dbraw/zinc/64/17/01/556641701.db2.gz WPFNGTUYTLJJSF-NHCUHLMSSA-N 0 0 430.508 3.562 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000016806607 556644136 /nfs/dbraw/zinc/64/41/36/556644136.db2.gz ZCPIHXJQQDDYRO-RDJZCZTQSA-N 0 0 439.936 3.771 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000016806603 556644150 /nfs/dbraw/zinc/64/41/50/556644150.db2.gz ZCPIHXJQQDDYRO-DOTOQJQBSA-N 0 0 439.936 3.771 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccc21 ZINC000016810317 556644752 /nfs/dbraw/zinc/64/47/52/556644752.db2.gz JPEBDPXKDBSBJT-UGSOOPFHSA-N 0 0 427.884 3.615 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2O)c(C)c1 ZINC000016840124 556645466 /nfs/dbraw/zinc/64/54/66/556645466.db2.gz MEZYXUWZWDHLID-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000016841342 556646077 /nfs/dbraw/zinc/64/60/77/556646077.db2.gz HMEPSOMKRITLHJ-UHFFFAOYSA-N 0 0 438.940 3.991 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1OC)C[C@@H](C)S2 ZINC000011726500 556647159 /nfs/dbraw/zinc/64/71/59/556647159.db2.gz FBPQOFIUSHPVAY-SNVBAGLBSA-N 0 0 425.963 3.693 50 0 IHAARN Cc1cccc(Oc2cc(N3CCN(C(=O)COCc4ccccc4)[C@@H](C)C3)ncn2)c1 ZINC000037623537 556648157 /nfs/dbraw/zinc/64/81/57/556648157.db2.gz UFXJIRRQHZAGNA-FQEVSTJZSA-N 0 0 432.524 3.831 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 ZINC000247939237 556648448 /nfs/dbraw/zinc/64/84/48/556648448.db2.gz FTMPJZDZMYJWJV-GESALYCCSA-N 0 0 427.892 3.607 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(Cl)ccc2F)c1 ZINC000011723771 556648573 /nfs/dbraw/zinc/64/85/73/556648573.db2.gz ZOIBRNZVMUECJJ-UHFFFAOYSA-N 0 0 427.929 3.869 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000016963048 556651246 /nfs/dbraw/zinc/65/12/46/556651246.db2.gz YQXMYIKKCPMNQP-LMMKCTJWSA-N 0 0 428.554 3.828 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)C1 ZINC000016963268 556651401 /nfs/dbraw/zinc/65/14/01/556651401.db2.gz SQIFQHSNJXFXQG-SCTDSRPQSA-N 0 0 428.554 3.543 50 0 IHAARN COc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O ZINC000032999256 556652982 /nfs/dbraw/zinc/65/29/82/556652982.db2.gz JUMGEUOVMLZXRH-UHFFFAOYSA-N 0 0 434.471 3.981 50 0 IHAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000011758550 556653228 /nfs/dbraw/zinc/65/32/28/556653228.db2.gz NCMAHYDIOUGXBZ-UHFFFAOYSA-N 0 0 436.928 3.604 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NCCCc1ccccc1 ZINC000017043508 556654084 /nfs/dbraw/zinc/65/40/84/556654084.db2.gz OQJSGJHYGQVCON-UHFFFAOYSA-N 0 0 449.942 3.605 50 0 IHAARN COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC1CCCC1 ZINC000017062213 556654582 /nfs/dbraw/zinc/65/45/82/556654582.db2.gz ZDVRWOHURUOCEX-UHFFFAOYSA-N 0 0 446.613 3.862 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)c1C ZINC000033005486 556655055 /nfs/dbraw/zinc/65/50/55/556655055.db2.gz ZHZGWDYXYSCHKX-UHFFFAOYSA-N 0 0 432.568 3.678 50 0 IHAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCC(=O)Nc1ccccn1 ZINC000032927945 556656480 /nfs/dbraw/zinc/65/64/80/556656480.db2.gz YQUYHMBHQXTOMX-UHFFFAOYSA-N 0 0 441.491 3.702 50 0 IHAARN Cc1cccc2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc(-c3cccnc3)nc12 ZINC000017094837 556657966 /nfs/dbraw/zinc/65/79/66/556657966.db2.gz KTKBDHCSMMCZLW-UHFFFAOYSA-N 0 0 426.476 3.796 50 0 IHAARN CCOc1ccc(Cl)c(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000060307646 556658736 /nfs/dbraw/zinc/65/87/36/556658736.db2.gz JXSZJKXYMWNXFW-UHFFFAOYSA-N 0 0 440.725 3.963 50 0 IHAARN COc1ccccc1CCNC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000011835097 556659416 /nfs/dbraw/zinc/65/94/16/556659416.db2.gz PXKYSLIYRQMVAY-UHFFFAOYSA-N 0 0 427.501 3.835 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000033011706 556659628 /nfs/dbraw/zinc/65/96/28/556659628.db2.gz AFMWSORROCFDHW-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)s1 ZINC000033011250 556659783 /nfs/dbraw/zinc/65/97/83/556659783.db2.gz ARESJTYZMZJRSB-UHFFFAOYSA-N 0 0 449.580 3.951 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033012120 556660839 /nfs/dbraw/zinc/66/08/39/556660839.db2.gz DISNTSOKSVBIDX-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc(Cl)cc2)n1 ZINC000011854422 556661766 /nfs/dbraw/zinc/66/17/66/556661766.db2.gz DOQKYUFOHYSQRY-UHFFFAOYSA-N 0 0 441.900 3.663 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000017098107 556662806 /nfs/dbraw/zinc/66/28/06/556662806.db2.gz KUWOVKWNCGJPLJ-UHFFFAOYSA-N 0 0 432.586 3.508 50 0 IHAARN C[C@H](O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 ZINC000017098611 556663531 /nfs/dbraw/zinc/66/35/31/556663531.db2.gz ZWNITZYSIVPGNY-INIZCTEOSA-N 0 0 433.599 3.969 50 0 IHAARN CCOC(=O)c1sc2ncn3nc(-c4cc(-c5cccc(OC)c5)[nH]n4)nc3c2c1C ZINC000017098807 556663828 /nfs/dbraw/zinc/66/38/28/556663828.db2.gz JXPYICGIIHGTIB-UHFFFAOYSA-N 0 0 434.481 3.890 50 0 IHAARN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](C(N)=O)CC[C@H]3C)n2)CCC4)CC1 ZINC000248112041 556664405 /nfs/dbraw/zinc/66/44/05/556664405.db2.gz RDOMOYQTZHFDBA-HZPDHXFCSA-N 0 0 427.618 3.502 50 0 IHAARN CCc1c(C)scc1-c1nnc(SCC(=O)Nc2sccc2C(=O)OC)n1C ZINC000017100700 556665733 /nfs/dbraw/zinc/66/57/33/556665733.db2.gz YYHINNKDBHTELX-UHFFFAOYSA-N 0 0 436.584 3.993 50 0 IHAARN COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)N4CCOCC4)ccc3oc2=O)c1 ZINC000011866315 556666211 /nfs/dbraw/zinc/66/62/11/556666211.db2.gz REATXJJFWASNTA-UHFFFAOYSA-N 0 0 425.437 3.617 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)Cc2ccc(O)cc2)sc2c1CCCC2 ZINC000017125292 556668920 /nfs/dbraw/zinc/66/89/20/556668920.db2.gz ALFMGPVKHURIMO-ZDUSSCGKSA-N 0 0 431.510 3.622 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1OC ZINC000011904306 556669540 /nfs/dbraw/zinc/66/95/40/556669540.db2.gz MHBXKDREXWMYTG-UHFFFAOYSA-N 0 0 439.493 3.743 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2OC)c1 ZINC000044854729 556671346 /nfs/dbraw/zinc/67/13/46/556671346.db2.gz ZMKJNBJCZOYZQG-IBGZPJMESA-N 0 0 448.541 3.637 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(Cl)cc3)ccc1=O)CCCC2 ZINC000011914380 556673892 /nfs/dbraw/zinc/67/38/92/556673892.db2.gz BZKHJWFZPXZRTF-UHFFFAOYSA-N 0 0 443.912 3.865 50 0 IHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 ZINC000100815436 556676568 /nfs/dbraw/zinc/67/65/68/556676568.db2.gz RIQZRSZORYOEAT-ZTVYWIFTSA-N 0 0 443.594 3.648 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)cc1C ZINC000032933538 556677664 /nfs/dbraw/zinc/67/76/64/556677664.db2.gz CGTMUEHPVSNMGT-UHFFFAOYSA-N 0 0 448.541 3.722 50 0 IHAARN CC(C)NC(=O)CN1CCC(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 ZINC000032934750 556677702 /nfs/dbraw/zinc/67/77/02/556677702.db2.gz IHSIGYOLQITNMT-UHFFFAOYSA-N 0 0 428.602 3.652 50 0 IHAARN Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br ZINC000032935233 556678021 /nfs/dbraw/zinc/67/80/21/556678021.db2.gz JSLHHERFMZACHK-MRXNPFEDSA-N 0 0 434.265 3.740 50 0 IHAARN O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 ZINC000011980327 556678088 /nfs/dbraw/zinc/67/80/88/556678088.db2.gz WCTVGRGBQOBHJF-UHFFFAOYSA-N 0 0 437.521 3.928 50 0 IHAARN CC(=O)NCCCCCC(=O)OCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000032936171 556679111 /nfs/dbraw/zinc/67/91/11/556679111.db2.gz TZCDUIFEEPLAEF-NRFANRHFSA-N 0 0 439.512 3.505 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 ZINC000017857445 556679791 /nfs/dbraw/zinc/67/97/91/556679791.db2.gz BOFQNRMVJLPPBU-IWMITWMQSA-N 0 0 435.476 3.661 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000033326403 556681863 /nfs/dbraw/zinc/68/18/63/556681863.db2.gz IWLMCHJJOACKNP-IBGZPJMESA-N 0 0 435.592 3.858 50 0 IHAARN COc1ccccc1N(CCC(=O)Nc1ncc(C)s1)S(=O)(=O)c1ccc(C)cc1 ZINC000010628570 556682725 /nfs/dbraw/zinc/68/27/25/556682725.db2.gz BAEDXZCEFRCIEC-UHFFFAOYSA-N 0 0 445.566 3.993 50 0 IHAARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1 ZINC000033019587 556683347 /nfs/dbraw/zinc/68/33/47/556683347.db2.gz CQVLIBWJJRMVSQ-UHFFFAOYSA-N 0 0 435.553 3.997 50 0 IHAARN Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 ZINC000060322913 556685018 /nfs/dbraw/zinc/68/50/18/556685018.db2.gz JYEBETUHGDTHQT-MNOVXSKESA-N 0 0 435.187 3.786 50 0 IHAARN CCc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2)s1 ZINC000033022489 556687432 /nfs/dbraw/zinc/68/74/32/556687432.db2.gz NJEQHRDQDDWKNU-ZDUSSCGKSA-N 0 0 438.509 3.615 50 0 IHAARN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc(OC)cc3OC)c2)s1 ZINC000033022796 556687888 /nfs/dbraw/zinc/68/78/88/556687888.db2.gz WSWNSUVZGYRIEL-UHFFFAOYSA-N 0 0 440.525 3.690 50 0 IHAARN CCc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc(C)c2c1 ZINC000018266474 556688704 /nfs/dbraw/zinc/68/87/04/556688704.db2.gz ZDJQIZUERLGHKU-UHFFFAOYSA-N 0 0 425.543 3.780 50 0 IHAARN Cc1cc(N2CCN(C(=O)Cc3csc(-c4ccsc4)n3)CC2)nc(C(C)C)n1 ZINC000024219563 556694078 /nfs/dbraw/zinc/69/40/78/556694078.db2.gz GAYAEQMVHWNWLG-UHFFFAOYSA-N 0 0 427.599 3.985 50 0 IHAARN CC(=O)Nc1cc(NC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C ZINC000072314444 556700779 /nfs/dbraw/zinc/70/07/79/556700779.db2.gz FIRCOTVNRJEDPO-KBXCAEBGSA-N 0 0 434.537 3.835 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169205 556707549 /nfs/dbraw/zinc/70/75/49/556707549.db2.gz OXUAIQLLSKQZEX-OTWHNJEPSA-N 0 0 432.307 3.538 50 0 IHAARN COc1cc(CCC2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc(OC)c1 ZINC000011128180 556710761 /nfs/dbraw/zinc/71/07/61/556710761.db2.gz GLLOAEKWXYTRED-UHFFFAOYSA-N 0 0 445.581 3.901 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F ZINC000013696224 556712186 /nfs/dbraw/zinc/71/21/86/556712186.db2.gz GYBSDPLDJKGYCM-UHFFFAOYSA-N 0 0 432.498 3.900 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c(C)c1 ZINC000019229332 556718084 /nfs/dbraw/zinc/71/80/84/556718084.db2.gz OXXFTAFQNBIGGE-FQEVSTJZSA-N 0 0 431.458 3.776 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)n[nH]1 ZINC000072328306 556724949 /nfs/dbraw/zinc/72/49/49/556724949.db2.gz YORYVBCLEDAJCQ-UHFFFAOYSA-N 0 0 429.502 3.657 50 0 IHAARN COCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccc(OC)cc2)s1 ZINC000061718397 556725258 /nfs/dbraw/zinc/72/52/58/556725258.db2.gz HPWJBNJMYNXJPB-UHFFFAOYSA-N 0 0 427.511 3.860 50 0 IHAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2)CC1)N1CCSCC1 ZINC000072328413 556725476 /nfs/dbraw/zinc/72/54/76/556725476.db2.gz VUCTZANTZUCJGL-UHFFFAOYSA-N 0 0 436.556 3.890 50 0 IHAARN COc1cccc([C@H]2[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC ZINC000061720275 556727741 /nfs/dbraw/zinc/72/77/41/556727741.db2.gz AVLSVUZUYBJDPZ-KUHUBIRLSA-N 0 0 425.510 3.780 50 0 IHAARN COc1ccc(C(=O)CSc2nccn(-c3cc(C)ccc3OC)c2=O)cc1OC ZINC000033039884 556731543 /nfs/dbraw/zinc/73/15/43/556731543.db2.gz BSYDSGUOVNWWPR-UHFFFAOYSA-N 0 0 426.494 3.542 50 0 IHAARN COc1ccc2c(CNc3cccc(S(=O)(=O)N4CCCCC4)c3)cc(=O)oc2c1 ZINC000033040206 556731954 /nfs/dbraw/zinc/73/19/54/556731954.db2.gz ZTYYABKBXRYXEB-UHFFFAOYSA-N 0 0 428.510 3.588 50 0 IHAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000019299841 556735089 /nfs/dbraw/zinc/73/50/89/556735089.db2.gz DXIDIPQPDSAOAE-IBGZPJMESA-N 0 0 429.586 3.862 50 0 IHAARN COC(=O)c1ccc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000055154771 556736341 /nfs/dbraw/zinc/73/63/41/556736341.db2.gz BVWWLZNBCGFQLI-RTWAWAEBSA-N 0 0 430.545 3.872 50 0 IHAARN Cc1cnc(-n2ncc(C(=O)N3CCN(C(C)C)CC3)c2C2CC2)nc1-c1cccs1 ZINC000055166690 556736548 /nfs/dbraw/zinc/73/65/48/556736548.db2.gz CEFKIZQFNBRNTM-UHFFFAOYSA-N 0 0 436.585 3.743 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000055327830 556740062 /nfs/dbraw/zinc/74/00/62/556740062.db2.gz VXGVKSVSJOKYHR-IBGZPJMESA-N 0 0 434.005 3.975 50 0 IHAARN O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000013854793 556746394 /nfs/dbraw/zinc/74/63/94/556746394.db2.gz AIPIEYTUPMGZSI-UHFFFAOYSA-N 0 0 441.531 3.713 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(OC)c1 ZINC000057487031 556747813 /nfs/dbraw/zinc/74/78/13/556747813.db2.gz CELXPCQODBGQAD-UHFFFAOYSA-N 0 0 448.435 3.590 50 0 IHAARN O=C(COC(=O)c1ccc(Br)cc1)NCc1ccc(Br)cc1 ZINC000072333826 556750207 /nfs/dbraw/zinc/75/02/07/556750207.db2.gz PQZQXRQTIQPQDQ-UHFFFAOYSA-N 0 0 427.092 3.685 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3c(C)nc4sccn43)cc2)cc1 ZINC000010656857 556755708 /nfs/dbraw/zinc/75/57/08/556755708.db2.gz RHVZUZROCSGPLD-UHFFFAOYSA-N 0 0 427.507 3.745 50 0 IHAARN CCc1c(C(=O)NC[C@H](O)COc2cccc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000058112109 556758974 /nfs/dbraw/zinc/75/89/74/556758974.db2.gz HCABIHBXMUHALX-FQEVSTJZSA-N 0 0 433.483 3.897 50 0 IHAARN CC(=O)Nc1sc2c(c1[C@H](c1cccc(Cl)c1)N1CCN(CCO)CC1)CCCC2 ZINC000096300453 556760076 /nfs/dbraw/zinc/76/00/76/556760076.db2.gz RPRYFZGVQUZOGP-QFIPXVFZSA-N 0 0 448.032 3.938 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000058159447 556763717 /nfs/dbraw/zinc/76/37/17/556763717.db2.gz AQXKHZBCFWBADJ-OAHLLOKOSA-N 0 0 430.346 3.801 50 0 IHAARN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)n1 ZINC000058162200 556765738 /nfs/dbraw/zinc/76/57/38/556765738.db2.gz PXTNXUWZWKEKJR-UHFFFAOYSA-N 0 0 439.940 3.839 50 0 IHAARN O=C(c1ccc(Cl)cc1I)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000058202210 556771103 /nfs/dbraw/zinc/77/11/03/556771103.db2.gz ZOZHNFWDPGNOCS-HNNXBMFYSA-N 0 0 446.716 3.562 50 0 IHAARN COC(=O)[C@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc(F)cc1 ZINC000058203113 556771498 /nfs/dbraw/zinc/77/14/98/556771498.db2.gz WWQKXCCLDGWDIH-SFHVURJKSA-N 0 0 426.513 3.943 50 0 IHAARN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000058244682 556774805 /nfs/dbraw/zinc/77/48/05/556774805.db2.gz UTZNCWFJTLZRNC-CQSZACIVSA-N 0 0 430.302 3.708 50 0 IHAARN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 ZINC000058296573 556778029 /nfs/dbraw/zinc/77/80/29/556778029.db2.gz YCDGCGGIGCZWTM-INIZCTEOSA-N 0 0 434.466 3.683 50 0 IHAARN O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000058402512 556785304 /nfs/dbraw/zinc/78/53/04/556785304.db2.gz PJLMCMOPZZEENE-IFXJQAMLSA-N 0 0 438.471 3.766 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCC4)c3)cc2)oc1C ZINC000058415661 556786624 /nfs/dbraw/zinc/78/66/24/556786624.db2.gz MXHQDPAPWLKGST-UHFFFAOYSA-N 0 0 429.473 3.744 50 0 IHAARN CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)OCO2 ZINC000058420603 556787440 /nfs/dbraw/zinc/78/74/40/556787440.db2.gz AEBWFXMLLJFACG-CYBMUJFWSA-N 0 0 434.414 3.839 50 0 IHAARN C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000019542325 556794457 /nfs/dbraw/zinc/79/44/57/556794457.db2.gz HLOGUQHTYWHEKH-JHJVBQTASA-N 0 0 429.468 3.546 50 0 IHAARN CCCN(CC(F)(F)F)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000059252761 556795865 /nfs/dbraw/zinc/79/58/65/556795865.db2.gz LAVPNQDUCQNJRR-FQEVSTJZSA-N 0 0 425.451 3.567 50 0 IHAARN CCc1c(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000059358673 556798514 /nfs/dbraw/zinc/79/85/14/556798514.db2.gz NYTDLJFXVMRKPM-AWEZNQCLSA-N 0 0 433.574 3.610 50 0 IHAARN COc1ccc2c(C)c(CC(=O)NCCn3ccc4ccc(F)cc43)c(=O)oc2c1OC ZINC000072401361 556800564 /nfs/dbraw/zinc/80/05/64/556800564.db2.gz IEMDOXSPBMQWPB-UHFFFAOYSA-N 0 0 438.455 3.571 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nc2ccccc2s1 ZINC000002623747 556800720 /nfs/dbraw/zinc/80/07/20/556800720.db2.gz TUSQQXZHGOPNBD-UHFFFAOYSA-N 0 0 449.579 3.933 50 0 IHAARN COc1cccc(NC2=NC(=O)SC2=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 ZINC000072401504 556800728 /nfs/dbraw/zinc/80/07/28/556800728.db2.gz PGPRIQRGRSAQGR-YQYFLZKSSA-N 0 0 446.554 3.586 50 0 IHAARN O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1c(F)cccc1F ZINC000072401840 556801827 /nfs/dbraw/zinc/80/18/27/556801827.db2.gz AMPPKJGZWRXCSK-UHFFFAOYSA-N 0 0 443.281 3.742 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1C ZINC000002646557 556801862 /nfs/dbraw/zinc/80/18/62/556801862.db2.gz HSJAHGLCSQDCPM-UHFFFAOYSA-N 0 0 429.369 3.638 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000002646826 556801864 /nfs/dbraw/zinc/80/18/64/556801864.db2.gz LPNMFPWCEJFMDO-UHFFFAOYSA-N 0 0 429.538 3.747 50 0 IHAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21 ZINC000059855460 556805211 /nfs/dbraw/zinc/80/52/11/556805211.db2.gz ATVQHEBLKOILQQ-UHFFFAOYSA-N 0 0 436.556 3.915 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2csc(Br)c2)c1 ZINC000060040742 556806052 /nfs/dbraw/zinc/80/60/52/556806052.db2.gz IORLRVIWLLJAHH-GFCCVEGCSA-N 0 0 427.364 3.837 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1C ZINC000003323227 556810494 /nfs/dbraw/zinc/81/04/94/556810494.db2.gz ACIOSEDNVMPPSA-UHFFFAOYSA-N 0 0 437.569 3.841 50 0 IHAARN COc1ccc(NC(=O)N2CCc3[nH]c4cc(-c5ccccc5)nn4c(=O)c3C2)c(C)c1 ZINC000097942092 556812775 /nfs/dbraw/zinc/81/27/75/556812775.db2.gz DBVDTSFKJJBNIE-UHFFFAOYSA-N 0 0 429.480 3.597 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003352260 556813856 /nfs/dbraw/zinc/81/38/56/556813856.db2.gz MQSDBXGQZLNZEU-CYBMUJFWSA-N 0 0 448.306 3.975 50 0 IHAARN CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000003391160 556813996 /nfs/dbraw/zinc/81/39/96/556813996.db2.gz XXYCCUMITGPYSL-UHFFFAOYSA-N 0 0 434.492 3.827 50 0 IHAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC(=O)Nc1cc(C)ccc1OC ZINC000003403845 556814459 /nfs/dbraw/zinc/81/44/59/556814459.db2.gz SUVZSGASJGNIJU-UHFFFAOYSA-N 0 0 445.463 3.780 50 0 IHAARN O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1cccc2nsnc21 ZINC000096465820 556815865 /nfs/dbraw/zinc/81/58/65/556815865.db2.gz KNCKKZUELDDAEF-UHFFFAOYSA-N 0 0 436.368 3.754 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019579629 556817295 /nfs/dbraw/zinc/81/72/95/556817295.db2.gz IFODFYIUJILHFE-UHFFFAOYSA-N 0 0 439.899 3.990 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061937 556817489 /nfs/dbraw/zinc/81/74/89/556817489.db2.gz SXEPPGUHVBQPKH-OAHLLOKOSA-N 0 0 426.517 4.000 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061935 556817500 /nfs/dbraw/zinc/81/75/00/556817500.db2.gz SXEPPGUHVBQPKH-HNNXBMFYSA-N 0 0 426.517 4.000 50 0 IHAARN Cc1ccc(C)c(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000033063062 556818516 /nfs/dbraw/zinc/81/85/16/556818516.db2.gz AVYMXHCVQCZLNU-UHFFFAOYSA-N 0 0 447.944 3.563 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063173 556818519 /nfs/dbraw/zinc/81/85/19/556818519.db2.gz HANAQKLQFATZOA-OAQYLSRUSA-N 0 0 441.940 3.715 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000033062843 556819312 /nfs/dbraw/zinc/81/93/12/556819312.db2.gz UHGUAXJUTXKOQD-UHFFFAOYSA-N 0 0 427.526 3.848 50 0 IHAARN O=S(=O)(c1cccc2cccnc21)N1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000063150910 556819761 /nfs/dbraw/zinc/81/97/61/556819761.db2.gz GUOTWFNFKHYJQP-UHFFFAOYSA-N 0 0 433.936 3.924 50 0 IHAARN Cc1ccc(-n2ccn3c(CCCC(=O)NCCCc4ccccc4)nnc3c2=O)cc1C ZINC000064591493 556825217 /nfs/dbraw/zinc/82/52/17/556825217.db2.gz HLFPGSNHCHMXPI-UHFFFAOYSA-N 0 0 443.551 3.569 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206670431 556827424 /nfs/dbraw/zinc/82/74/24/556827424.db2.gz ICXCTIACGSAUFO-FUHWJXTLSA-N 0 0 427.545 3.704 50 0 IHAARN CC(C)(C)OC(=O)N1CCC(N2Cc3cc(Br)ccc3OCC2=O)CC1 ZINC000065184450 556832693 /nfs/dbraw/zinc/83/26/93/556832693.db2.gz FZVVYWDZCIAQKM-UHFFFAOYSA-N 0 0 425.323 3.570 50 0 IHAARN COc1ccc(Cc2noc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1OC ZINC000019632599 556833430 /nfs/dbraw/zinc/83/34/30/556833430.db2.gz DEYILOIZVNLXGB-RMKNXTFCSA-N 0 0 434.540 3.509 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nc(C)n2)n1 ZINC000065365009 556835597 /nfs/dbraw/zinc/83/55/97/556835597.db2.gz ZUBACAOCEUBEFL-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2onc(-c3cccc(F)c3)c2c1=O ZINC000033069075 556839747 /nfs/dbraw/zinc/83/97/47/556839747.db2.gz CCEIABSVJVZTGF-UHFFFAOYSA-N 0 0 442.834 3.800 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(C)n2)n1 ZINC000067612669 556844076 /nfs/dbraw/zinc/84/40/76/556844076.db2.gz FLAYTIVPDWTFNG-UHFFFAOYSA-N 0 0 432.572 3.847 50 0 IHAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nn2)n1 ZINC000067621622 556844682 /nfs/dbraw/zinc/84/46/82/556844682.db2.gz CNLCNFDXMFPNGH-UHFFFAOYSA-N 0 0 425.443 3.556 50 0 IHAARN Cc1cc(OCCCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)ccc1Cl ZINC000023010868 556848264 /nfs/dbraw/zinc/84/82/64/556848264.db2.gz SZIYHAMHMLMSKV-UHFFFAOYSA-N 0 0 445.947 3.717 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022182830 556849211 /nfs/dbraw/zinc/84/92/11/556849211.db2.gz HJVKYFRKJSDMNE-UHFFFAOYSA-N 0 0 443.370 3.926 50 0 IHAARN COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000008967350 556852217 /nfs/dbraw/zinc/85/22/17/556852217.db2.gz RHEMBFYEZBOJFE-UHFFFAOYSA-N 0 0 429.976 3.531 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073476 556852666 /nfs/dbraw/zinc/85/26/66/556852666.db2.gz AQYOXBFOFQKXCF-UHFFFAOYSA-N 0 0 438.553 3.907 50 0 IHAARN COc1cccc(-c2nn(CC(=O)N3CCCc4ccccc43)c(=O)c3nc(C)sc32)c1 ZINC000008955863 556853292 /nfs/dbraw/zinc/85/32/92/556853292.db2.gz NAJXLMVFMVYPCP-UHFFFAOYSA-N 0 0 446.532 3.816 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000033087925 556855721 /nfs/dbraw/zinc/85/57/21/556855721.db2.gz VJOPJYNWUQDYHC-UHFFFAOYSA-N 0 0 430.439 3.800 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O ZINC000033087926 556855815 /nfs/dbraw/zinc/85/58/15/556855815.db2.gz FQKYDHZKRHTSNH-UHFFFAOYSA-N 0 0 430.439 3.800 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 ZINC000033088485 556856754 /nfs/dbraw/zinc/85/67/54/556856754.db2.gz SDICWOLHBFLETK-UHFFFAOYSA-N 0 0 433.346 3.673 50 0 IHAARN CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000033086037 556856883 /nfs/dbraw/zinc/85/68/83/556856883.db2.gz BWRPXQVRZAAZHT-UHFFFAOYSA-N 0 0 444.308 3.536 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NCc4ccco4)C3)s2)cc1 ZINC000033113360 556860212 /nfs/dbraw/zinc/86/02/12/556860212.db2.gz LLSYDPWNAMSSFL-HNNXBMFYSA-N 0 0 425.514 3.781 50 0 IHAARN O=C(CC1CCCC1)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033114015 556861009 /nfs/dbraw/zinc/86/10/09/556861009.db2.gz HKAUXCIUFVTTAL-UHFFFAOYSA-N 0 0 442.541 3.805 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(SC)cc1 ZINC000033124796 556864179 /nfs/dbraw/zinc/86/41/79/556864179.db2.gz JLROASRMTISICD-LJQANCHMSA-N 0 0 427.501 3.567 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128098 556865070 /nfs/dbraw/zinc/86/50/70/556865070.db2.gz MFUTYEBJDUPMEY-MRXNPFEDSA-N 0 0 439.537 3.986 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033125159 556866319 /nfs/dbraw/zinc/86/63/19/556866319.db2.gz NDXYPZZDWFBDJO-UHFFFAOYSA-N 0 0 427.888 3.837 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033125361 556866476 /nfs/dbraw/zinc/86/64/76/556866476.db2.gz RULXEHNBBXPZRU-HNNXBMFYSA-N 0 0 427.888 3.917 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 ZINC000033131436 556871843 /nfs/dbraw/zinc/87/18/43/556871843.db2.gz BUJMKNNNKFLVER-UHFFFAOYSA-N 0 0 440.974 3.729 50 0 IHAARN Cc1cccc(-c2nc(C3CCN(C(=O)[C@@H](NC(=O)c4ccco4)C(C)C)CC3)no2)c1 ZINC000033139577 556874685 /nfs/dbraw/zinc/87/46/85/556874685.db2.gz UPJAZTOHLHGOQF-FQEVSTJZSA-N 0 0 436.512 3.799 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2cc(C)ccc2C)CC3)cc1 ZINC000033140441 556876134 /nfs/dbraw/zinc/87/61/34/556876134.db2.gz RGUPZYDULBZFNE-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)cc1 ZINC000033142085 556877667 /nfs/dbraw/zinc/87/76/67/556877667.db2.gz MHUWRXBWIISYQX-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN Ic1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 ZINC000071260587 556879397 /nfs/dbraw/zinc/87/93/97/556879397.db2.gz JDWABETXSITHSN-UHFFFAOYSA-N 0 0 439.326 3.833 50 0 IHAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)cc1 ZINC000033169867 556885045 /nfs/dbraw/zinc/88/50/45/556885045.db2.gz ZYIVYQQRLHMVSC-GFCCVEGCSA-N 0 0 445.248 3.744 50 0 IHAARN Cc1ccccc1S(=O)(=O)c1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc21 ZINC000033249440 556889383 /nfs/dbraw/zinc/88/93/83/556889383.db2.gz GNQGAQAKYXMCJO-UHFFFAOYSA-N 0 0 430.913 3.502 50 0 IHAARN CCOC(=O)C1CCN(c2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)CC1 ZINC000033250510 556891455 /nfs/dbraw/zinc/89/14/55/556891455.db2.gz KCHDILKLTJNVBE-KRWDZBQOSA-N 0 0 445.585 3.577 50 0 IHAARN COc1ccc(NC(=O)Cn2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1OC ZINC000033251052 556891740 /nfs/dbraw/zinc/89/17/40/556891740.db2.gz XQOGKZFWELQIDU-UHFFFAOYSA-N 0 0 435.402 3.688 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000033251919 556892286 /nfs/dbraw/zinc/89/22/86/556892286.db2.gz SYJSVEQRTVYBLT-SFHVURJKSA-N 0 0 438.933 3.539 50 0 IHAARN Cc1cccc(CNC(=O)C2CCN(c3ccc4nnc(-c5cccc(C)c5)n4n3)CC2)c1 ZINC000033260229 556896945 /nfs/dbraw/zinc/89/69/45/556896945.db2.gz KZKJGDACIFPGOX-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN CCOc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000033262354 556902012 /nfs/dbraw/zinc/90/20/12/556902012.db2.gz SFQACODDMCMBIM-UHFFFAOYSA-N 0 0 440.507 3.692 50 0 IHAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000036391564 556906976 /nfs/dbraw/zinc/90/69/76/556906976.db2.gz ZGTZWCWCLMJSHG-CEOUIICOSA-N 0 0 435.929 3.748 50 0 IHAARN CCCCC(=O)N[C@H](NC(=S)Nc1cc(OC)ccc1OC)C(Cl)(Cl)Cl ZINC000019800003 556917195 /nfs/dbraw/zinc/91/71/95/556917195.db2.gz AXEDSBMOGCCINF-CQSZACIVSA-N 0 0 442.796 3.993 50 0 IHAARN Cc1nn2c(ncc3c2ccn(-c2ccc4c(c2)OCCO4)c3=O)c1-c1ccc(F)cc1 ZINC000019821341 556924429 /nfs/dbraw/zinc/92/44/29/556924429.db2.gz RUHZTMABHBRVPG-UHFFFAOYSA-N 0 0 428.423 3.919 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857139 556931401 /nfs/dbraw/zinc/93/14/01/556931401.db2.gz RZUJQKSVIHGNNF-MRXNPFEDSA-N 0 0 426.460 3.886 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857106 556931426 /nfs/dbraw/zinc/93/14/26/556931426.db2.gz JWCIVKVRFCHYAC-INIZCTEOSA-N 0 0 437.359 3.630 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859943 556932406 /nfs/dbraw/zinc/93/24/06/556932406.db2.gz NLUPQYQZXIDGTF-CYBMUJFWSA-N 0 0 428.888 3.799 50 0 IHAARN O=C(CO[C@@H]1O[C@H](c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000019866084 556934512 /nfs/dbraw/zinc/93/45/12/556934512.db2.gz QCVUQRFCMXPTAY-PZXVYJQKSA-N 0 0 448.471 3.544 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1CCCN1CCOCC1 ZINC000019882242 556937301 /nfs/dbraw/zinc/93/73/01/556937301.db2.gz BNTWMTBPYPZMJE-NRFANRHFSA-N 0 0 438.911 3.714 50 0 IHAARN CCOc1ccc(OCc2ccc(C3N=NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000020028596 556967666 /nfs/dbraw/zinc/96/76/66/556967666.db2.gz BSVFKJPSKLSUAW-UHFFFAOYSA-N 0 0 444.557 3.527 50 0 IHAARN O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1Cc1ccccc1)CCCC4 ZINC000020029332 556968417 /nfs/dbraw/zinc/96/84/17/556968417.db2.gz BRBMMVABLVHOOD-UHFFFAOYSA-N 0 0 432.549 3.770 50 0 IHAARN O=C1C[C@@H]2Sc3ccc(Cl)cc3N=C2N1CCN1CCN(c2ccccc2)CC1 ZINC000020030910 556968864 /nfs/dbraw/zinc/96/88/64/556968864.db2.gz UETVAGQRHIDKPG-FQEVSTJZSA-N 0 0 426.973 3.899 50 0 IHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000072446757 556973303 /nfs/dbraw/zinc/97/33/03/556973303.db2.gz VPLLCENKBRGHCF-LJQANCHMSA-N 0 0 441.578 3.773 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)c1C ZINC000072442162 556973449 /nfs/dbraw/zinc/97/34/49/556973449.db2.gz KZMTXJQFYIJEDP-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)ccc2=O)cc1 ZINC000033264877 556974825 /nfs/dbraw/zinc/97/48/25/556974825.db2.gz ZIDBVBPUICABTH-UHFFFAOYSA-N 0 0 437.931 3.857 50 0 IHAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccco2)c1)NCc1ccccc1 ZINC000033265066 556975013 /nfs/dbraw/zinc/97/50/13/556975013.db2.gz KFTKONWNGBYZRX-UHFFFAOYSA-N 0 0 446.532 3.804 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1 ZINC000033266541 556977152 /nfs/dbraw/zinc/97/71/52/556977152.db2.gz UTMXFUHRCVXUTB-UHFFFAOYSA-N 0 0 447.564 3.999 50 0 IHAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccncc5)CC4)nccn3n2)cc1C ZINC000033266661 556977767 /nfs/dbraw/zinc/97/77/67/556977767.db2.gz DPUNGEKMHDELNP-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C2CC2)cc1 ZINC000011234653 556979151 /nfs/dbraw/zinc/97/91/51/556979151.db2.gz ZYAPVHLCKYCYFF-JOCHJYFZSA-N 0 0 430.545 3.802 50 0 IHAARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103493 556981065 /nfs/dbraw/zinc/98/10/65/556981065.db2.gz IRUSARGJGGKHKR-AUUYWEPGSA-N 0 0 442.878 3.924 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc1Cl ZINC000033267471 556981854 /nfs/dbraw/zinc/98/18/54/556981854.db2.gz KUZPXVYSGFMUJK-AWEZNQCLSA-N 0 0 439.903 3.625 50 0 IHAARN COC(=O)c1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000020117115 556987069 /nfs/dbraw/zinc/98/70/69/556987069.db2.gz WENCNENAEZSJDU-KRWDZBQOSA-N 0 0 430.892 3.883 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023054841 556988789 /nfs/dbraw/zinc/98/87/89/556988789.db2.gz ABCRVMBXOMLYFH-UHFFFAOYSA-N 0 0 429.520 3.806 50 0 IHAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@H](C2CC2)N2CCCC2)cs1 ZINC000097164514 556994573 /nfs/dbraw/zinc/99/45/73/556994573.db2.gz OSGIWAMPLYUWSG-FQEVSTJZSA-N 0 0 429.542 3.754 50 0 IHAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@@H](C2CC2)N2CCCC2)cs1 ZINC000097164513 556994596 /nfs/dbraw/zinc/99/45/96/556994596.db2.gz OSGIWAMPLYUWSG-HXUWFJFHSA-N 0 0 429.542 3.754 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000020356801 557010781 /nfs/dbraw/zinc/01/07/81/557010781.db2.gz LRGBTCGIDJBQFQ-OOCSTFOJSA-N 0 0 437.587 3.530 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4ccc(C(C)C)cc4)CC3)cc(=O)oc2c1 ZINC000020407840 557013748 /nfs/dbraw/zinc/01/37/48/557013748.db2.gz LRGHLAFNUSZIDV-UHFFFAOYSA-N 0 0 433.552 3.981 50 0 IHAARN COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1 ZINC000045991619 557016996 /nfs/dbraw/zinc/01/69/96/557016996.db2.gz MJAHLERQDVIHKB-UHFFFAOYSA-N 0 0 432.480 3.978 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(OC)c1 ZINC000045992501 557018232 /nfs/dbraw/zinc/01/82/32/557018232.db2.gz WIHWMXITEUPMHU-NSHDSACASA-N 0 0 438.406 3.719 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000023137928 557018268 /nfs/dbraw/zinc/01/82/68/557018268.db2.gz DIZJLUZYORHTAG-UHFFFAOYSA-N 0 0 438.528 3.505 50 0 IHAARN O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000023135768 557018860 /nfs/dbraw/zinc/01/88/60/557018860.db2.gz SJCAKRAZYONTQV-UHFFFAOYSA-N 0 0 430.913 3.950 50 0 IHAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)cc21 ZINC000032943706 557020929 /nfs/dbraw/zinc/02/09/29/557020929.db2.gz QXXAPZDCRHKCHV-UHFFFAOYSA-N 0 0 445.335 3.848 50 0 IHAARN O=C(CC1CCCCC1)Nc1c2c(nn1CC(=O)NCCc1ccccc1)CSC2 ZINC000023139685 557022274 /nfs/dbraw/zinc/02/22/74/557022274.db2.gz QSPBAHKBTFJFCC-UHFFFAOYSA-N 0 0 426.586 3.898 50 0 IHAARN COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 ZINC000023139576 557022299 /nfs/dbraw/zinc/02/22/99/557022299.db2.gz VYDMJOKPECRSIW-UHFFFAOYSA-N 0 0 442.585 3.864 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(COc3ccccc3)o2)C1 ZINC000023140418 557022951 /nfs/dbraw/zinc/02/29/51/557022951.db2.gz HYUYKBSGMKNPFJ-QGZVFWFLSA-N 0 0 443.525 3.534 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@H]3CCCN(C(C)=O)C3)n2)cc1 ZINC000010744977 557023571 /nfs/dbraw/zinc/02/35/71/557023571.db2.gz FZHHNBWFCDULLB-KSSFIOAISA-N 0 0 429.542 3.501 50 0 IHAARN O=C(Cc1ccccc1Cl)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 ZINC000023139470 557024412 /nfs/dbraw/zinc/02/44/12/557024412.db2.gz NMHSNYOEWLBGFH-UHFFFAOYSA-N 0 0 440.956 3.781 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3cc(Cl)ccc3n2)s1)c1ccccc1 ZINC000046031625 557024473 /nfs/dbraw/zinc/02/44/73/557024473.db2.gz PRDTVXWDZDDSCX-UHFFFAOYSA-N 0 0 429.914 3.744 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccc(F)cc1Cl)CSC2)NCc1ccccc1 ZINC000023139521 557024423 /nfs/dbraw/zinc/02/44/23/557024423.db2.gz NMBDLAGAQSWDFQ-UHFFFAOYSA-N 0 0 444.919 3.991 50 0 IHAARN O=C(Nc1nc2c(cc(F)cc2F)s1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010756882 557024537 /nfs/dbraw/zinc/02/45/37/557024537.db2.gz PUYZTODPPZWBAS-JTQLQIEISA-N 0 0 443.522 3.675 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)CC2)c1 ZINC000046043777 557025140 /nfs/dbraw/zinc/02/51/40/557025140.db2.gz YJSIVFWPOIDEIH-LJQANCHMSA-N 0 0 441.959 3.550 50 0 IHAARN Cc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1S(=O)(=O)NCc1ccccc1 ZINC000021746167 557026538 /nfs/dbraw/zinc/02/65/38/557026538.db2.gz CZQSGORWYWTKAE-UHFFFAOYSA-N 0 0 444.582 3.776 50 0 IHAARN COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 ZINC000023145140 557026874 /nfs/dbraw/zinc/02/68/74/557026874.db2.gz SOACEQJYOMKNIV-UHFFFAOYSA-N 0 0 440.544 3.985 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2N(C)C1=O ZINC000046053895 557026992 /nfs/dbraw/zinc/02/69/92/557026992.db2.gz SMCXXLBYUDJVFX-UHFFFAOYSA-N 0 0 439.581 3.584 50 0 IHAARN Cc1noc(C)c1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000023146260 557027145 /nfs/dbraw/zinc/02/71/45/557027145.db2.gz RPCAPMJJJOZGDS-UHFFFAOYSA-N 0 0 435.452 3.942 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 ZINC000046059010 557029878 /nfs/dbraw/zinc/02/98/78/557029878.db2.gz QUOUZVHPLCISEY-UHFFFAOYSA-N 0 0 430.551 3.971 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(F)cc2)CC(=O)N3)c1 ZINC000046074821 557031056 /nfs/dbraw/zinc/03/10/56/557031056.db2.gz RKYLWFQRFILZLP-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074704 557031110 /nfs/dbraw/zinc/03/11/10/557031110.db2.gz WZJUDEXNWSYPFN-AWEZNQCLSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074707 557031131 /nfs/dbraw/zinc/03/11/31/557031131.db2.gz WZJUDEXNWSYPFN-CQSZACIVSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1 ZINC000046074947 557031482 /nfs/dbraw/zinc/03/14/82/557031482.db2.gz SGYCGRFTWDMXFL-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000046075353 557031895 /nfs/dbraw/zinc/03/18/95/557031895.db2.gz XTKWAFYZCMSVBJ-HNNXBMFYSA-N 0 0 438.484 3.574 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21 ZINC000046081268 557035566 /nfs/dbraw/zinc/03/55/66/557035566.db2.gz SYJJPEFGFMDXNB-UHFFFAOYSA-N 0 0 439.899 3.538 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000046124047 557037507 /nfs/dbraw/zinc/03/75/07/557037507.db2.gz FRUFUZFCXONUCM-CQSZACIVSA-N 0 0 448.595 3.729 50 0 IHAARN CCN(C(=O)CSc1nnnn1CCc1cccs1)c1nc2ccccc2s1 ZINC000010858666 557040771 /nfs/dbraw/zinc/04/07/71/557040771.db2.gz ARYQOBJQWMBHMB-UHFFFAOYSA-N 0 0 430.584 3.732 50 0 IHAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc21 ZINC000017245469 557044305 /nfs/dbraw/zinc/04/43/05/557044305.db2.gz ROBJJLGUVDRCNM-CQSZACIVSA-N 0 0 445.566 3.978 50 0 IHAARN CCn1c2cc(NC(=O)CC(C)C)c(S(=O)(=O)c3ccc(C)cc3)cc2n(CC)c1=O ZINC000046146274 557044543 /nfs/dbraw/zinc/04/45/43/557044543.db2.gz ISVQKOHRRAWGED-UHFFFAOYSA-N 0 0 443.569 3.969 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000017281793 557044652 /nfs/dbraw/zinc/04/46/52/557044652.db2.gz SJFZQUUYRDTERQ-SXEONFLVSA-N 0 0 429.513 3.870 50 0 IHAARN O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc1nncs1 ZINC000033270745 557047777 /nfs/dbraw/zinc/04/77/77/557047777.db2.gz ZRZPJVFNINUUFF-UHFFFAOYSA-N 0 0 430.540 3.908 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1ccncc1 ZINC000048248466 557048166 /nfs/dbraw/zinc/04/81/66/557048166.db2.gz BKZMRYFWBPTVKJ-LJQANCHMSA-N 0 0 438.528 3.536 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(C(=O)NCc2ccc(F)cc2)n1 ZINC000033273390 557051574 /nfs/dbraw/zinc/05/15/74/557051574.db2.gz AWAJDMSLRXMRIX-UHFFFAOYSA-N 0 0 445.882 3.807 50 0 IHAARN O=c1[nH]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc(Cl)cc12 ZINC000022934117 557051648 /nfs/dbraw/zinc/05/16/48/557051648.db2.gz MCRCPAMYKGBELU-UHFFFAOYSA-N 0 0 436.865 3.913 50 0 IHAARN Cc1ccccc1C(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000033273643 557052199 /nfs/dbraw/zinc/05/21/99/557052199.db2.gz WTWZMZITUKJGBJ-UHFFFAOYSA-N 0 0 432.524 3.986 50 0 IHAARN Cc1cc(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000048252750 557052248 /nfs/dbraw/zinc/05/22/48/557052248.db2.gz KESTYJQLJDMDOO-QGZVFWFLSA-N 0 0 429.567 3.830 50 0 IHAARN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 ZINC000017305845 557052292 /nfs/dbraw/zinc/05/22/92/557052292.db2.gz BXEDEPVVCNXHBZ-HNNXBMFYSA-N 0 0 428.334 3.970 50 0 IHAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(N4CCNC4=O)c3)CCCC2)cc1C ZINC000048253680 557052519 /nfs/dbraw/zinc/05/25/19/557052519.db2.gz ARWYLZWSTDTRKK-UHFFFAOYSA-N 0 0 441.553 3.558 50 0 IHAARN COc1ccc(NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1N1CCCCC1=O ZINC000048253737 557052539 /nfs/dbraw/zinc/05/25/39/557052539.db2.gz WFCQKVCWJSLJIO-UHFFFAOYSA-N 0 0 448.527 3.731 50 0 IHAARN Cc1nc2ccc(NC(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2s1 ZINC000048253964 557052588 /nfs/dbraw/zinc/05/25/88/557052588.db2.gz MLEZWVBNQDOEQQ-UHFFFAOYSA-N 0 0 448.545 3.719 50 0 IHAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 ZINC000017299180 557052717 /nfs/dbraw/zinc/05/27/17/557052717.db2.gz RUBMNYLTEQXULD-KRWDZBQOSA-N 0 0 441.885 3.934 50 0 IHAARN CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cn2)n1 ZINC000048287518 557053193 /nfs/dbraw/zinc/05/31/93/557053193.db2.gz IWFIUKBTZUHLPI-UHFFFAOYSA-N 0 0 430.862 3.622 50 0 IHAARN COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000017307867 557053883 /nfs/dbraw/zinc/05/38/83/557053883.db2.gz XTKVVOLZWKRQOT-CQSZACIVSA-N 0 0 434.583 3.705 50 0 IHAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c12 ZINC000048290846 557055272 /nfs/dbraw/zinc/05/52/72/557055272.db2.gz PDASKINWRNMEKO-OAQYLSRUSA-N 0 0 432.455 3.897 50 0 IHAARN Cc1cc(-c2cc(C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 ZINC000048274412 557055831 /nfs/dbraw/zinc/05/58/31/557055831.db2.gz GHTASVCKMARHGV-OAQYLSRUSA-N 0 0 432.480 3.967 50 0 IHAARN Cc1cc(=O)c(C(=O)NCc2coc(-c3cccs3)n2)nn1-c1ccc(Cl)cc1 ZINC000010880095 557057059 /nfs/dbraw/zinc/05/70/59/557057059.db2.gz JLCJBILJEZALJY-UHFFFAOYSA-N 0 0 426.885 3.841 50 0 IHAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2C1 ZINC000017316604 557057273 /nfs/dbraw/zinc/05/72/73/557057273.db2.gz AGOLDJSNXPJUCX-UHFFFAOYSA-N 0 0 430.570 3.709 50 0 IHAARN CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1F)CCN(Cc1ccccc1)C2 ZINC000033277320 557058937 /nfs/dbraw/zinc/05/89/37/557058937.db2.gz QGLGAVOKXLCQPI-UHFFFAOYSA-N 0 0 434.515 3.703 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(C)ccc2OC)c3=O)cc1 ZINC000033277758 557059475 /nfs/dbraw/zinc/05/94/75/557059475.db2.gz LDHQDVSWXDWJQE-UHFFFAOYSA-N 0 0 432.480 3.960 50 0 IHAARN CCNC(=O)COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC ZINC000048311582 557061304 /nfs/dbraw/zinc/06/13/04/557061304.db2.gz QIRYTFGFDBOMRA-RPWUZVMVSA-N 0 0 440.540 3.587 50 0 IHAARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000023080011 557062404 /nfs/dbraw/zinc/06/24/04/557062404.db2.gz QJYBANGDYIBJLY-UHFFFAOYSA-N 0 0 440.540 3.772 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(CN2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)cc1 ZINC000033280364 557062915 /nfs/dbraw/zinc/06/29/15/557062915.db2.gz RMHXGIJBKQRBJF-SFHVURJKSA-N 0 0 445.567 3.759 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000048302287 557063365 /nfs/dbraw/zinc/06/33/65/557063365.db2.gz WRIUSJGKZLKNKS-HNJRGHQBSA-N 0 0 435.540 3.631 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4cccc(F)c4)n3c2)cc1 ZINC000033284600 557063900 /nfs/dbraw/zinc/06/39/00/557063900.db2.gz GVWUYNSHYKCRMU-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)nc(N3CCC[C@@H](C)C3)c3ccccc32)cc1Cl ZINC000033287352 557064431 /nfs/dbraw/zinc/06/44/31/557064431.db2.gz OWZKTVGDMDSMAA-OAHLLOKOSA-N 0 0 440.931 3.934 50 0 IHAARN CCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287557 557064933 /nfs/dbraw/zinc/06/49/33/557064933.db2.gz HXNKWSATFCZFNK-OAHLLOKOSA-N 0 0 442.585 3.800 50 0 IHAARN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000023128430 557065834 /nfs/dbraw/zinc/06/58/34/557065834.db2.gz IIDMCGSLIMOVIL-KRWDZBQOSA-N 0 0 427.451 3.661 50 0 IHAARN COc1cccc(S(=O)(=O)N2CCc3nc(NC(=O)c4sccc4C)sc3C2)c1 ZINC000033282585 557068109 /nfs/dbraw/zinc/06/81/09/557068109.db2.gz FBPGAOQMUIQNNY-UHFFFAOYSA-N 0 0 449.579 3.521 50 0 IHAARN CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 ZINC000048326491 557068658 /nfs/dbraw/zinc/06/86/58/557068658.db2.gz IJOKDHYEYXWRGQ-UHFFFAOYSA-N 0 0 440.519 3.775 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)N1CCOCC1 ZINC000048331649 557069442 /nfs/dbraw/zinc/06/94/42/557069442.db2.gz MSCZPEXEYAZSBI-XMMPIXPASA-N 0 0 440.544 3.570 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000048361878 557074292 /nfs/dbraw/zinc/07/42/92/557074292.db2.gz BNHQVJHKGOGHEW-INIZCTEOSA-N 0 0 436.537 3.552 50 0 IHAARN CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010886437 557074532 /nfs/dbraw/zinc/07/45/32/557074532.db2.gz TZYHSLVBHXUCET-UHFFFAOYSA-N 0 0 439.462 3.845 50 0 IHAARN C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)NCc1cccs1 ZINC000010886918 557074608 /nfs/dbraw/zinc/07/46/08/557074608.db2.gz RJZQGPHOQSKTQJ-CQSZACIVSA-N 0 0 427.501 3.813 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000033298911 557074923 /nfs/dbraw/zinc/07/49/23/557074923.db2.gz BTSWVEHXRJOLDC-UHFFFAOYSA-N 0 0 446.959 3.553 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000033299026 557075090 /nfs/dbraw/zinc/07/50/90/557075090.db2.gz NVZYCFVRBQWRBT-UHFFFAOYSA-N 0 0 430.960 3.934 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2s1 ZINC000033299066 557075423 /nfs/dbraw/zinc/07/54/23/557075423.db2.gz VBNTWFSOHMZSOH-UHFFFAOYSA-N 0 0 436.580 3.770 50 0 IHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1 ZINC000011286409 557076924 /nfs/dbraw/zinc/07/69/24/557076924.db2.gz FXOUMHODGVXUAV-RTBURBONSA-N 0 0 438.553 3.748 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)nsc3c2=O)cc1 ZINC000033300034 557078540 /nfs/dbraw/zinc/07/85/40/557078540.db2.gz JJCLLASTJJIVFA-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN O=S(=O)(c1cccn2c(SCc3c(F)cccc3Cl)nnc12)N1CCCC1 ZINC000033300324 557079447 /nfs/dbraw/zinc/07/94/47/557079447.db2.gz PWCNZVQFFYGGOK-UHFFFAOYSA-N 0 0 426.926 3.599 50 0 IHAARN NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)N2 ZINC000097112471 557081557 /nfs/dbraw/zinc/08/15/57/557081557.db2.gz RYUMSKGUUPEYPU-FYJGNVAPSA-N 0 0 442.500 3.679 50 0 IHAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000023296825 557082860 /nfs/dbraw/zinc/08/28/60/557082860.db2.gz JMZLFQJYUXZERA-UHFFFAOYSA-N 0 0 446.532 3.600 50 0 IHAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(SC)cc3)c2c1=O ZINC000048989657 557083350 /nfs/dbraw/zinc/08/33/50/557083350.db2.gz IJWRCZIOMIOACS-UHFFFAOYSA-N 0 0 432.549 3.923 50 0 IHAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1)C1CC1 ZINC000023329246 557084370 /nfs/dbraw/zinc/08/43/70/557084370.db2.gz FHCLPNLLBHGEBN-NSHDSACASA-N 0 0 436.559 3.539 50 0 IHAARN O=C(/C=C/c1ccco1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000023337436 557084868 /nfs/dbraw/zinc/08/48/68/557084868.db2.gz LEBVILMWXYURMS-BWSGXRDBSA-N 0 0 435.568 3.656 50 0 IHAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756649 557084965 /nfs/dbraw/zinc/08/49/65/557084965.db2.gz QCFULWBMHFQTRJ-YKSBVNFPSA-N 0 0 438.524 3.819 50 0 IHAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000049007697 557085982 /nfs/dbraw/zinc/08/59/82/557085982.db2.gz PRKHIBSOMUZJMI-UHFFFAOYSA-N 0 0 441.944 3.779 50 0 IHAARN Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)nc12 ZINC000049008628 557086608 /nfs/dbraw/zinc/08/66/08/557086608.db2.gz BOHYFLSVJLJMQE-UHFFFAOYSA-N 0 0 444.278 3.937 50 0 IHAARN O=C(CNC(=O)Cc1ccccc1)Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1 ZINC000033307240 557086741 /nfs/dbraw/zinc/08/67/41/557086741.db2.gz SGENDHUFDLDBBO-UHFFFAOYSA-N 0 0 442.475 3.613 50 0 IHAARN CCc1ccccc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O ZINC000049009022 557086826 /nfs/dbraw/zinc/08/68/26/557086826.db2.gz KUZKNHUPJUJLSY-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN CCOc1ccccc1NC(=O)Nc1nnc(-c2cccc(S(=O)(=O)C(C)C)c2)o1 ZINC000049025964 557087868 /nfs/dbraw/zinc/08/78/68/557087868.db2.gz YWYREULHUOSDJH-UHFFFAOYSA-N 0 0 430.486 3.961 50 0 IHAARN C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049025915 557087986 /nfs/dbraw/zinc/08/79/86/557087986.db2.gz LZKHOELUQGWQML-ZDUSSCGKSA-N 0 0 435.377 3.825 50 0 IHAARN COc1cc(/C=C\C(=O)NCCCC(=O)Nc2cccc3cccnc32)cc(OC)c1OC ZINC000049030694 557089231 /nfs/dbraw/zinc/08/92/31/557089231.db2.gz COMJLDAJMMTBTK-QXMHVHEDSA-N 0 0 449.507 3.809 50 0 IHAARN COc1ccccc1-c1cc(C(=O)NCCCC(=O)Nc2cccc3cccnc32)[nH]n1 ZINC000049030728 557089235 /nfs/dbraw/zinc/08/92/35/557089235.db2.gz RBJYTNNJLFQCJD-UHFFFAOYSA-N 0 0 429.480 3.782 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)c1 ZINC000049002244 557089843 /nfs/dbraw/zinc/08/98/43/557089843.db2.gz JIUKVKAGJYSUJX-UHFFFAOYSA-N 0 0 446.551 3.833 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411292 557091434 /nfs/dbraw/zinc/09/14/34/557091434.db2.gz KTGCWFFRVSWQRW-QFIPXVFZSA-N 0 0 441.491 3.947 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000023417439 557091641 /nfs/dbraw/zinc/09/16/41/557091641.db2.gz BAKGDDPNJHAOQC-UHFFFAOYSA-N 0 0 425.554 3.819 50 0 IHAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1=O ZINC000010910613 557091691 /nfs/dbraw/zinc/09/16/91/557091691.db2.gz SSDWYSYQPICWMR-UHFFFAOYSA-N 0 0 447.438 3.756 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000023434036 557092091 /nfs/dbraw/zinc/09/20/91/557092091.db2.gz MPKAVTDFKIZZPP-HNAYVOBHSA-N 0 0 441.553 3.723 50 0 IHAARN COc1cc(OC)cc(-c2noc(CCn3nc(-c4cccc(Cl)c4)ccc3=O)n2)c1 ZINC000033309683 557092307 /nfs/dbraw/zinc/09/23/07/557092307.db2.gz QOGWVHYSEFAREQ-UHFFFAOYSA-N 0 0 438.871 3.874 50 0 IHAARN CCOc1cccc(-c2noc(Cn3ncn4nc(-c5ccc(C)cc5C)cc4c3=O)n2)c1 ZINC000049004331 557092536 /nfs/dbraw/zinc/09/25/36/557092536.db2.gz SGBVTXVAXWDQKF-UHFFFAOYSA-N 0 0 442.479 3.672 50 0 IHAARN CSc1ccc(-c2noc(Cn3ncn4nc(-c5cc(C)ccc5C)cc4c3=O)n2)cc1 ZINC000049004344 557092628 /nfs/dbraw/zinc/09/26/28/557092628.db2.gz TXKJBMPAFOVPAL-UHFFFAOYSA-N 0 0 444.520 3.995 50 0 IHAARN CCc1noc(Cn2cnc3c4cc(OC)ccc4n(Cc4ccccc4C)c3c2=O)n1 ZINC000033311858 557095136 /nfs/dbraw/zinc/09/51/36/557095136.db2.gz FPZYPXDKGNZZDS-UHFFFAOYSA-N 0 0 429.480 3.710 50 0 IHAARN O=C(C1=NN(Cc2ccccc2Cl)c2ccccc2S1(=O)=O)N1CCCCCC1 ZINC000049402587 557097985 /nfs/dbraw/zinc/09/79/85/557097985.db2.gz QCISQNCXPGJHFU-UHFFFAOYSA-N 0 0 431.945 3.850 50 0 IHAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCC(C)CC2)CC1=O ZINC000033317557 557099361 /nfs/dbraw/zinc/09/93/61/557099361.db2.gz AKGWTBREYBAVKG-IBGZPJMESA-N 0 0 446.551 3.824 50 0 IHAARN COc1cccc(-c2cc(=O)n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)n2)c1 ZINC000049404752 557099784 /nfs/dbraw/zinc/09/97/84/557099784.db2.gz AFUGIVOQMJCPLJ-UHFFFAOYSA-N 0 0 443.887 3.537 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nccn2C(F)F)c1 ZINC000011337349 557100572 /nfs/dbraw/zinc/10/05/72/557100572.db2.gz NDKBVJJECQETJZ-UHFFFAOYSA-N 0 0 435.452 3.850 50 0 IHAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000072191640 557100807 /nfs/dbraw/zinc/10/08/07/557100807.db2.gz QRXMEMGISOKGHI-MRXNPFEDSA-N 0 0 444.586 3.612 50 0 IHAARN CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)Nc1nccs1 ZINC000072191664 557101166 /nfs/dbraw/zinc/10/11/66/557101166.db2.gz PKKYFUYIZBYXLQ-UHFFFAOYSA-N 0 0 431.587 3.978 50 0 IHAARN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1C ZINC000049406364 557101555 /nfs/dbraw/zinc/10/15/55/557101555.db2.gz AQAHWHIIOJSWQI-UHFFFAOYSA-N 0 0 431.540 3.536 50 0 IHAARN Cc1ccccc1CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000023638602 557101876 /nfs/dbraw/zinc/10/18/76/557101876.db2.gz FVARQXSSICUZMI-QHCPKHFHSA-N 0 0 447.604 3.742 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)[nH]n2)cc1 ZINC000049406683 557102117 /nfs/dbraw/zinc/10/21/17/557102117.db2.gz YJYZMBSRTTXTFF-UHFFFAOYSA-N 0 0 432.524 3.818 50 0 IHAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000049408593 557103746 /nfs/dbraw/zinc/10/37/46/557103746.db2.gz VFJGGNXTCFBRNT-UHFFFAOYSA-N 0 0 436.390 3.681 50 0 IHAARN O=C1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1Cc1ccccc1 ZINC000033320875 557104505 /nfs/dbraw/zinc/10/45/05/557104505.db2.gz FGVHBRLHTGPBOR-VXKWHMMOSA-N 0 0 441.531 3.992 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2c(Nc2ccccc2C)n1 ZINC000049410635 557105818 /nfs/dbraw/zinc/10/58/18/557105818.db2.gz MBOFXNPZPKHFCH-UHFFFAOYSA-N 0 0 440.866 3.683 50 0 IHAARN CCc1ccccc1NC(=O)CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000049411558 557106921 /nfs/dbraw/zinc/10/69/21/557106921.db2.gz NUQNTHHZWHWTOG-UHFFFAOYSA-N 0 0 440.500 3.522 50 0 IHAARN COCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000017674161 557107162 /nfs/dbraw/zinc/10/71/62/557107162.db2.gz LSHRUCVVEFSMCY-GOSISDBHSA-N 0 0 431.945 3.618 50 0 IHAARN CCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000033326408 557108452 /nfs/dbraw/zinc/10/84/52/557108452.db2.gz ITVLJMDVOJANTD-IBGZPJMESA-N 0 0 435.592 3.804 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)cc1 ZINC000010921710 557109701 /nfs/dbraw/zinc/10/97/01/557109701.db2.gz QDNFZRUOBXONNT-UHFFFAOYSA-N 0 0 438.340 3.629 50 0 IHAARN O=C(Nc1nncs1)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000049546651 557111723 /nfs/dbraw/zinc/11/17/23/557111723.db2.gz SGVWQJJMBXLISY-UHFFFAOYSA-N 0 0 433.266 3.668 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(CC(C)C)s2)C12CCCC2 ZINC000049550838 557113291 /nfs/dbraw/zinc/11/32/91/557113291.db2.gz XIDSAVUSFMINMI-LJQANCHMSA-N 0 0 442.585 3.874 50 0 IHAARN Cc1ccc(OCCNC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000023763821 557115323 /nfs/dbraw/zinc/11/53/23/557115323.db2.gz DHFFAXOQOQHRHP-UHFFFAOYSA-N 0 0 442.869 3.973 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000033331958 557116612 /nfs/dbraw/zinc/11/66/12/557116612.db2.gz NTSFFQMVOFRTAF-LLJLJFOGSA-N 0 0 429.561 3.959 50 0 IHAARN O=C(Nc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1)c1cccs1 ZINC000023805781 557117437 /nfs/dbraw/zinc/11/74/37/557117437.db2.gz JRPZEGQRSVNQET-UHFFFAOYSA-N 0 0 427.570 3.765 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3)o2)N2CCOCC2)cc1 ZINC000023873368 557122292 /nfs/dbraw/zinc/12/22/92/557122292.db2.gz XBQZHYXYPYQPGO-HSZRJFAPSA-N 0 0 436.508 3.671 50 0 IHAARN O=C(NCCCn1ccnc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023873314 557122315 /nfs/dbraw/zinc/12/23/15/557122315.db2.gz PHMVPMUSNGODEA-UHFFFAOYSA-N 0 0 439.510 3.668 50 0 IHAARN O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCN(c2ccccc2)CC1 ZINC000000631425 557122729 /nfs/dbraw/zinc/12/27/29/557122729.db2.gz DHHHXBXLUZNJKZ-UHFFFAOYSA-N 0 0 439.512 3.589 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000000631051 557123035 /nfs/dbraw/zinc/12/30/35/557123035.db2.gz WVZCBSSBRRDPJB-IRXDYDNUSA-N 0 0 430.570 3.970 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000023883037 557123433 /nfs/dbraw/zinc/12/34/33/557123433.db2.gz GVPWBEYFCQEDNG-QFIPXVFZSA-N 0 0 433.508 3.644 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000018468015 557124859 /nfs/dbraw/zinc/12/48/59/557124859.db2.gz OAWFCJPZEZJJII-UHFFFAOYSA-N 0 0 431.539 3.944 50 0 IHAARN O=C(Cn1nc(-n2ccc3ccccc32)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000206689354 557126559 /nfs/dbraw/zinc/12/65/59/557126559.db2.gz YFVRSNWIADIDCD-UHFFFAOYSA-N 0 0 430.361 3.984 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000206681801 557126936 /nfs/dbraw/zinc/12/69/36/557126936.db2.gz XSVAWEOUJSLYLF-UHFFFAOYSA-N 0 0 434.926 3.958 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1c3ccccc3C(=O)C1=O)CC2 ZINC000023956463 557127519 /nfs/dbraw/zinc/12/75/19/557127519.db2.gz AJJTURIEULPZSM-XMMPIXPASA-N 0 0 428.488 3.838 50 0 IHAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023957307 557128101 /nfs/dbraw/zinc/12/81/01/557128101.db2.gz FUPHHOHVVULZJO-UHFFFAOYSA-N 0 0 438.531 3.918 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)cc1 ZINC000011373069 557128769 /nfs/dbraw/zinc/12/87/69/557128769.db2.gz RQKIVRJBSQAZOM-UHFFFAOYSA-N 0 0 441.557 3.895 50 0 IHAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206693097 557129298 /nfs/dbraw/zinc/12/92/98/557129298.db2.gz SODIIJQRVAOVNQ-CYBMUJFWSA-N 0 0 432.723 3.525 50 0 IHAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1cccnc1 ZINC000000656148 557129560 /nfs/dbraw/zinc/12/95/60/557129560.db2.gz SKNKXOGORHSSDL-UHFFFAOYSA-N 0 0 446.326 3.678 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1C ZINC000023990183 557130142 /nfs/dbraw/zinc/13/01/42/557130142.db2.gz DFWLROPKLZZGBC-CYBMUJFWSA-N 0 0 439.541 3.603 50 0 IHAARN COc1ccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000023993995 557130544 /nfs/dbraw/zinc/13/05/44/557130544.db2.gz ZLJXARZVWGLJLU-HXUWFJFHSA-N 0 0 444.491 3.579 50 0 IHAARN Cc1c(CNC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cnn1C ZINC000000672138 557133240 /nfs/dbraw/zinc/13/32/40/557133240.db2.gz ZWAHQSXXIMZXTQ-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)o2)cc1 ZINC000024753897 557133701 /nfs/dbraw/zinc/13/37/01/557133701.db2.gz LPXOUCQULKNIEF-UHFFFAOYSA-N 0 0 428.510 3.978 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000017973034 557135914 /nfs/dbraw/zinc/13/59/14/557135914.db2.gz BNSUYCNFKBAVTQ-UHFFFAOYSA-N 0 0 447.535 3.943 50 0 IHAARN Cc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)cc1 ZINC000009160342 557136592 /nfs/dbraw/zinc/13/65/92/557136592.db2.gz JFSYJNLUXXYIQU-UHFFFAOYSA-N 0 0 439.519 3.556 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)C)c3)n2N)c(OC)c1 ZINC000024788304 557139897 /nfs/dbraw/zinc/13/98/97/557139897.db2.gz TXWZLFZEBKEEIO-UHFFFAOYSA-N 0 0 427.530 3.530 50 0 IHAARN CN(CCOc1ccccc1Cl)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000024185337 557140077 /nfs/dbraw/zinc/14/00/77/557140077.db2.gz HDSQSEHYQWDEBY-UHFFFAOYSA-N 0 0 425.916 3.927 50 0 IHAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024193352 557140436 /nfs/dbraw/zinc/14/04/36/557140436.db2.gz RGMHPRPCMDGKQP-UHFFFAOYSA-N 0 0 435.471 3.760 50 0 IHAARN C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 ZINC000011427117 557146372 /nfs/dbraw/zinc/14/63/72/557146372.db2.gz ZHJYMKWQVDQBHK-GJZGRUSLSA-N 0 0 442.541 3.788 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)NC1CCCCC1 ZINC000004814671 557151553 /nfs/dbraw/zinc/15/15/53/557151553.db2.gz HSYDBKOMTRVASC-UHFFFAOYSA-N 0 0 429.590 3.637 50 0 IHAARN O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1Cc1ccccc1 ZINC000000723956 557152079 /nfs/dbraw/zinc/15/20/79/557152079.db2.gz YOJIBZCVHZTAGH-UHFFFAOYSA-N 0 0 438.652 3.723 50 0 IHAARN COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1OC ZINC000024607816 557153650 /nfs/dbraw/zinc/15/36/50/557153650.db2.gz RZWFWNQLUHWOMI-UHFFFAOYSA-N 0 0 442.468 3.657 50 0 IHAARN CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608459 557153909 /nfs/dbraw/zinc/15/39/09/557153909.db2.gz SFZJHFVTYGKMBG-UHFFFAOYSA-N 0 0 433.039 3.530 50 0 IHAARN O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000043957201 557154096 /nfs/dbraw/zinc/15/40/96/557154096.db2.gz KNDXCOQJBBTBOI-UHFFFAOYSA-N 0 0 426.897 3.668 50 0 IHAARN C[C@@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000011498427 557154127 /nfs/dbraw/zinc/15/41/27/557154127.db2.gz NQNWFTAGCRGTFL-OAHLLOKOSA-N 0 0 425.510 3.972 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610700 557154852 /nfs/dbraw/zinc/15/48/52/557154852.db2.gz DMNOLRXJJOFBFN-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000024612967 557155656 /nfs/dbraw/zinc/15/56/56/557155656.db2.gz MKHDJWOSPONLBL-UHFFFAOYSA-N 0 0 434.533 3.793 50 0 IHAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613259 557155790 /nfs/dbraw/zinc/15/57/90/557155790.db2.gz RKPYDLMSHUOBSY-UHFFFAOYSA-N 0 0 430.973 3.860 50 0 IHAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000095399203 557156809 /nfs/dbraw/zinc/15/68/09/557156809.db2.gz JCCUCNSTZNBEPR-LJQANCHMSA-N 0 0 426.879 3.867 50 0 IHAARN COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(I)nc2c1 ZINC000095476311 557157570 /nfs/dbraw/zinc/15/75/70/557157570.db2.gz ZFIFGRQCIVUJOW-UHFFFAOYSA-N 0 0 449.336 3.894 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)o1 ZINC000010954946 557157567 /nfs/dbraw/zinc/15/75/67/557157567.db2.gz ZJERFRSTGPBPQH-SPLOXXLWSA-N 0 0 433.420 3.972 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccnc1OCC(F)(F)F ZINC000024678184 557158331 /nfs/dbraw/zinc/15/83/31/557158331.db2.gz XOTBDKCNQHXEHO-UHFFFAOYSA-N 0 0 433.180 3.809 50 0 IHAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709239 557159801 /nfs/dbraw/zinc/15/98/01/557159801.db2.gz KEHAACORCKCZOE-QFIPXVFZSA-N 0 0 431.492 3.893 50 0 IHAARN O=S(=O)(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(Cl)ccc1Cl ZINC000206791702 557163700 /nfs/dbraw/zinc/16/37/00/557163700.db2.gz YMXGWFFTRPFAIZ-LBPRGKRZSA-N 0 0 440.274 3.964 50 0 IHAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 ZINC000206802079 557165154 /nfs/dbraw/zinc/16/51/54/557165154.db2.gz AWMDUYGDMAUUFU-XJKSGUPXSA-N 0 0 446.525 3.749 50 0 IHAARN CCOc1cccc(COC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1OC(F)F ZINC000024842355 557173576 /nfs/dbraw/zinc/17/35/76/557173576.db2.gz LWJUSMAZKADCBE-UHFFFAOYSA-N 0 0 426.412 3.998 50 0 IHAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)ccc2c1 ZINC000024924363 557179527 /nfs/dbraw/zinc/17/95/27/557179527.db2.gz ZCMHURPSIJIFBQ-SFHVURJKSA-N 0 0 432.520 3.741 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024925556 557179722 /nfs/dbraw/zinc/17/97/22/557179722.db2.gz OWPOVHUTPNYZIZ-QHCPKHFHSA-N 0 0 433.895 3.999 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000003170705 557181767 /nfs/dbraw/zinc/18/17/67/557181767.db2.gz XUTQPDXSBGBOOT-HSZRJFAPSA-N 0 0 426.582 3.629 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000000784708 557184852 /nfs/dbraw/zinc/18/48/52/557184852.db2.gz GHWFMACUBIZHQO-UHFFFAOYSA-N 0 0 427.435 3.754 50 0 IHAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3C)oc21 ZINC000009263514 557184898 /nfs/dbraw/zinc/18/48/98/557184898.db2.gz RVLJKPUHIZBKNC-UHFFFAOYSA-N 0 0 438.465 3.696 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccccc2C)CC1 ZINC000024977180 557184970 /nfs/dbraw/zinc/18/49/70/557184970.db2.gz RNPGGQDRECUOLZ-JOCHJYFZSA-N 0 0 429.948 3.509 50 0 IHAARN CC[C@@H](Sc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccccc1 ZINC000009302498 557185409 /nfs/dbraw/zinc/18/54/09/557185409.db2.gz MIYBOWCHVYBRFE-RDTXWAMCSA-N 0 0 441.532 3.955 50 0 IHAARN Cc1cccc(C)c1OCc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009303682 557186091 /nfs/dbraw/zinc/18/60/91/557186091.db2.gz DZGMCXNOFLWAHY-HNNXBMFYSA-N 0 0 440.525 3.859 50 0 IHAARN COc1cccc(-c2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccccc2)c1 ZINC000024985788 557186425 /nfs/dbraw/zinc/18/64/25/557186425.db2.gz BLAICWJVNYOOTL-CQSZACIVSA-N 0 0 448.556 3.629 50 0 IHAARN Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000009328085 557186999 /nfs/dbraw/zinc/18/69/99/557186999.db2.gz JYJKJSSQOJPBPS-UHFFFAOYSA-N 0 0 448.592 3.950 50 0 IHAARN COCCn1c(=O)c2c3c(sc2nc1SCC(=O)N(C)C1=CCCC1)CCCC3 ZINC000024988719 557187024 /nfs/dbraw/zinc/18/70/24/557187024.db2.gz FMFHAPZBLJEERC-UHFFFAOYSA-N 0 0 433.599 3.602 50 0 IHAARN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccccc1F ZINC000025045436 557190411 /nfs/dbraw/zinc/19/04/11/557190411.db2.gz NEHBOIRASAODJY-KRWDZBQOSA-N 0 0 428.460 3.981 50 0 IHAARN Cc1cccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000025057093 557192480 /nfs/dbraw/zinc/19/24/80/557192480.db2.gz KQYKXBXHYNCUKD-GOSISDBHSA-N 0 0 428.554 3.526 50 0 IHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000100861250 557193103 /nfs/dbraw/zinc/19/31/03/557193103.db2.gz YZLCKQURNUUKKJ-XTQSDGFTSA-N 0 0 449.573 3.931 50 0 IHAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000024894093 557193865 /nfs/dbraw/zinc/19/38/65/557193865.db2.gz SFFWUPPUYJDRCI-CQSZACIVSA-N 0 0 425.286 3.831 50 0 IHAARN COC(=O)c1cccc2c1CCCN2C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000025193074 557199436 /nfs/dbraw/zinc/19/94/36/557199436.db2.gz WGMKVLOUCPSKBD-UHFFFAOYSA-N 0 0 437.883 3.574 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000025264917 557201752 /nfs/dbraw/zinc/20/17/52/557201752.db2.gz XMQXPQKVUUYWLP-UHFFFAOYSA-N 0 0 448.508 3.664 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccccc1OC ZINC000100938837 557202714 /nfs/dbraw/zinc/20/27/14/557202714.db2.gz JGYVYBICUAGJFL-NRFANRHFSA-N 0 0 441.553 3.750 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1Cl ZINC000025377664 557206276 /nfs/dbraw/zinc/20/62/76/557206276.db2.gz ZKKRIEWIBCHXAQ-FQEVSTJZSA-N 0 0 446.956 3.940 50 0 IHAARN CCCCN1C(=O)C[C@@H](C(=O)NCCCn2cnc3ccccc32)[C@@H]1c1ccc(OC)cc1 ZINC000025400315 557208225 /nfs/dbraw/zinc/20/82/25/557208225.db2.gz JAAXHYGPVIVLLD-BWKNWUBXSA-N 0 0 448.567 3.941 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000011612149 557208650 /nfs/dbraw/zinc/20/86/50/557208650.db2.gz OPZATTQTXJPKCU-UHFFFAOYSA-N 0 0 438.571 3.824 50 0 IHAARN Cc1sc2[nH]c(CN(C)CC(=O)NCc3ccco3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000025423215 557208962 /nfs/dbraw/zinc/20/89/62/557208962.db2.gz PERPOAFITIMVOQ-UHFFFAOYSA-N 0 0 436.537 3.610 50 0 IHAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000010986005 557211493 /nfs/dbraw/zinc/21/14/93/557211493.db2.gz ANSWLLXGUCVHOI-UHFFFAOYSA-N 0 0 431.521 3.805 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097161532 557212681 /nfs/dbraw/zinc/21/26/81/557212681.db2.gz ZVSLPBKKAWWYHR-HSZRJFAPSA-N 0 0 436.531 3.580 50 0 IHAARN COc1ccc(C2=NN[C@H](c3ccc4c(c3)OCCCO4)[C@H]2O)c(OCc2ccccc2)c1 ZINC000025575579 557215631 /nfs/dbraw/zinc/21/56/31/557215631.db2.gz NSCYFZBTMVNIKH-AOYPEHQESA-N 0 0 446.503 3.845 50 0 IHAARN Cc1ccccc1Oc1nc2c(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n2C)n1C ZINC000010003316 557218903 /nfs/dbraw/zinc/21/89/03/557218903.db2.gz SMGZEVMPSPJAKQ-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 IHAARN O=C(Nc1cc(F)ccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011650109 557219471 /nfs/dbraw/zinc/21/94/71/557219471.db2.gz CCSPNOHOOMJMHP-MRXNPFEDSA-N 0 0 445.285 3.519 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247803488 557219747 /nfs/dbraw/zinc/21/97/47/557219747.db2.gz XIVOZKMHLOASRV-SXGZJXTBSA-N 0 0 426.563 3.625 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025641824 557220292 /nfs/dbraw/zinc/22/02/92/557220292.db2.gz SFAWFRQNEVCEJF-IBGZPJMESA-N 0 0 429.517 3.583 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025807588 557227168 /nfs/dbraw/zinc/22/71/68/557227168.db2.gz PSFRILHKBSVNMC-AWEZNQCLSA-N 0 0 446.550 3.751 50 0 IHAARN CCc1ccc(-c2nc(CC(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC000025818242 557227744 /nfs/dbraw/zinc/22/77/44/557227744.db2.gz NNKZCZJDALTXNG-LJQANCHMSA-N 0 0 444.578 3.724 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccccc1F ZINC000011435296 557229138 /nfs/dbraw/zinc/22/91/38/557229138.db2.gz LEQSDFMVDSSBBF-UHFFFAOYSA-N 0 0 438.546 3.740 50 0 IHAARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000011480251 557229452 /nfs/dbraw/zinc/22/94/52/557229452.db2.gz MNJYXTFTFRNSOD-KRWDZBQOSA-N 0 0 447.491 3.767 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc43)cc(=O)oc2c1 ZINC000011460098 557229530 /nfs/dbraw/zinc/22/95/30/557229530.db2.gz LXIZIMJKVQVRRJ-UHFFFAOYSA-N 0 0 434.404 3.972 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025904085 557229769 /nfs/dbraw/zinc/22/97/69/557229769.db2.gz HLGIQSCSQKBOHT-HSZRJFAPSA-N 0 0 431.517 3.676 50 0 IHAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 ZINC000011612951 557230270 /nfs/dbraw/zinc/23/02/70/557230270.db2.gz WTHDMFMWNYFILC-LJQANCHMSA-N 0 0 443.544 3.599 50 0 IHAARN CCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1 ZINC000011693450 557232566 /nfs/dbraw/zinc/23/25/66/557232566.db2.gz WREQHEWNNGTQIP-UHFFFAOYSA-N 0 0 432.480 3.993 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000026056910 557232985 /nfs/dbraw/zinc/23/29/85/557232985.db2.gz KVWNSJFRMMDDNE-UHFFFAOYSA-N 0 0 442.471 3.850 50 0 IHAARN C[C@@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccccc2)o1 ZINC000026054826 557233007 /nfs/dbraw/zinc/23/30/07/557233007.db2.gz WPKMTYHQQFTNOD-LJQCHSNASA-N 0 0 438.528 3.999 50 0 IHAARN O=C(CSCc1nc2ccccc2s1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000026059484 557233281 /nfs/dbraw/zinc/23/32/81/557233281.db2.gz RQVBNYQJGUVCIF-UHFFFAOYSA-N 0 0 425.579 3.951 50 0 IHAARN COc1ccc(CN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100085045 557234252 /nfs/dbraw/zinc/23/42/52/557234252.db2.gz AJYDNWVASUCXNO-JOCHJYFZSA-N 0 0 432.451 3.809 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000098211409 557234888 /nfs/dbraw/zinc/23/48/88/557234888.db2.gz VULCIYCXICBXLC-UHFFFAOYSA-N 0 0 430.420 3.775 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nccn3-c3ccccc3)ccc21 ZINC000026128102 557235831 /nfs/dbraw/zinc/23/58/31/557235831.db2.gz SNUHNFICUQIUFW-UHFFFAOYSA-N 0 0 427.551 3.560 50 0 IHAARN O=C1C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100068115 557239106 /nfs/dbraw/zinc/23/91/06/557239106.db2.gz LBNNWMALJNOMGV-HXRGIAOBSA-N 0 0 444.362 3.956 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000026461413 557241946 /nfs/dbraw/zinc/24/19/46/557241946.db2.gz YYJCWEBBJSXGDC-RNODOKPDSA-N 0 0 437.514 3.714 50 0 IHAARN COc1cc(Br)c(CC(=O)NC2(c3noc(C)n3)CCCCC2)cc1OC ZINC000026491612 557242584 /nfs/dbraw/zinc/24/25/84/557242584.db2.gz CLRBLRDJKJNTMW-UHFFFAOYSA-N 0 0 438.322 3.676 50 0 IHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000026521052 557242862 /nfs/dbraw/zinc/24/28/62/557242862.db2.gz SEHKTWGTQBVONC-XMMPIXPASA-N 0 0 425.548 3.863 50 0 IHAARN O=C(CCCSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1cccs1 ZINC000026681377 557246497 /nfs/dbraw/zinc/24/64/97/557246497.db2.gz HRYZTQFABPNJEU-UHFFFAOYSA-N 0 0 428.583 3.980 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)cc1 ZINC000026719992 557247116 /nfs/dbraw/zinc/24/71/16/557247116.db2.gz RSHRBKFZQVKNSO-UHFFFAOYSA-N 0 0 430.545 3.525 50 0 IHAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000026777955 557248098 /nfs/dbraw/zinc/24/80/98/557248098.db2.gz XEMIIEZQNRFUNR-JOCHJYFZSA-N 0 0 439.855 3.777 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)cs2)cc1 ZINC000026870031 557249691 /nfs/dbraw/zinc/24/96/91/557249691.db2.gz JLFFCRIMPZVROP-HXUWFJFHSA-N 0 0 437.521 3.527 50 0 IHAARN CC(C)c1cc2c(nc(CSCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)[nH]c2=O)s1 ZINC000604418686 557250809 /nfs/dbraw/zinc/25/08/09/557250809.db2.gz HYGYETZFYMPEBZ-QKKBWIMNSA-N 0 0 435.615 3.907 50 0 IHAARN CCn1c(CSc2ncnc3ccsc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000026958726 557252123 /nfs/dbraw/zinc/25/21/23/557252123.db2.gz VVCKMVQVMCMHHB-UHFFFAOYSA-N 0 0 433.584 3.604 50 0 IHAARN COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 ZINC000018254292 557254321 /nfs/dbraw/zinc/25/43/21/557254321.db2.gz MNUQIVBNPSXMPK-HSZRJFAPSA-N 0 0 433.508 3.959 50 0 IHAARN COc1ccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(OC)c2)cc1 ZINC000101113905 557256298 /nfs/dbraw/zinc/25/62/98/557256298.db2.gz XUNNAOAYYDOFSH-HPNDGRJYSA-N 0 0 430.464 3.528 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 ZINC000027063089 557256346 /nfs/dbraw/zinc/25/63/46/557256346.db2.gz CNJYFLXIOPWNOH-SFHVURJKSA-N 0 0 439.581 3.509 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000027142719 557257886 /nfs/dbraw/zinc/25/78/86/557257886.db2.gz FYFBXWNQWZLCMS-XMMPIXPASA-N 0 0 431.536 3.902 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000011021018 557258839 /nfs/dbraw/zinc/25/88/39/557258839.db2.gz NQJURZUXBYTZQF-CYBMUJFWSA-N 0 0 429.933 3.583 50 0 IHAARN O=C(COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCCCCCC1 ZINC000027237094 557259153 /nfs/dbraw/zinc/25/91/53/557259153.db2.gz BLZPQCCYJNFXKM-RTWAWAEBSA-N 0 0 426.557 3.718 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000100398638 557259958 /nfs/dbraw/zinc/25/99/58/557259958.db2.gz RYAFGJQWHNFHMC-WTNAPCKOSA-N 0 0 446.503 3.633 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)N[C@H]1CCOc2ccccc21 ZINC000027317155 557260029 /nfs/dbraw/zinc/26/00/29/557260029.db2.gz KXKYLUBSADHALF-HNNXBMFYSA-N 0 0 445.342 3.966 50 0 IHAARN CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000027365077 557261269 /nfs/dbraw/zinc/26/12/69/557261269.db2.gz QZHCADQNBQNZLR-UHFFFAOYSA-N 0 0 443.905 3.544 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H]([C@H]3CC(C)=C4C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]4C3)C2=O)cc1 ZINC000100543210 557263999 /nfs/dbraw/zinc/26/39/99/557263999.db2.gz CPQIYYIWZOCUGT-UCIDMZFESA-N 0 0 442.515 3.955 50 0 IHAARN O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000100551935 557264225 /nfs/dbraw/zinc/26/42/25/557264225.db2.gz DWLSSGQHFBTHTQ-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CN(C)Cc1cnn(-c3ccccc3)c1)CCCC2 ZINC000027550784 557265230 /nfs/dbraw/zinc/26/52/30/557265230.db2.gz XWGANNHKSCZMKD-UHFFFAOYSA-N 0 0 438.553 3.670 50 0 IHAARN COC(=O)C[C@]1(C(=O)OC)SC(Nc2ccccc2)=NN1c1nc2ccccc2s1 ZINC000027586395 557266956 /nfs/dbraw/zinc/26/69/56/557266956.db2.gz VOFZLBGHCLVGSQ-HXUWFJFHSA-N 0 0 442.522 3.665 50 0 IHAARN CCOC(=O)c1sc(N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000000822185 557268603 /nfs/dbraw/zinc/26/86/03/557268603.db2.gz DRKOQECXUDDYKD-AWEZNQCLSA-N 0 0 445.752 3.654 50 0 IHAARN COc1cccc(CNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000013012237 557269029 /nfs/dbraw/zinc/26/90/29/557269029.db2.gz GASOSZFAVAYNDO-SDNWHVSQSA-N 0 0 428.554 3.590 50 0 IHAARN O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027743789 557272301 /nfs/dbraw/zinc/27/23/01/557272301.db2.gz PYXCSQCVOWYWKP-HNNXBMFYSA-N 0 0 446.327 3.727 50 0 IHAARN COc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)c(OC)c1 ZINC000000829619 557272283 /nfs/dbraw/zinc/27/22/83/557272283.db2.gz RWYLMSFRNPNWIL-DHDCSXOGSA-N 0 0 435.217 3.653 50 0 IHAARN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027745702 557272479 /nfs/dbraw/zinc/27/24/79/557272479.db2.gz PDHGTYCLIVPCDB-KRWDZBQOSA-N 0 0 442.364 3.897 50 0 IHAARN COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000100818611 557276661 /nfs/dbraw/zinc/27/66/61/557276661.db2.gz OHNHTPFJJGKPLR-RYRKJORJSA-N 0 0 438.530 3.549 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000031507466 557289594 /nfs/dbraw/zinc/28/95/94/557289594.db2.gz XBUNMIYMJGHMIX-VOTSOKGWSA-N 0 0 428.916 3.620 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000101628308 557293054 /nfs/dbraw/zinc/29/30/54/557293054.db2.gz YXMVUTFPQUPCJP-KDURUIRLSA-N 0 0 430.501 3.610 50 0 IHAARN COc1ccccc1CNc1nn2c(nc(CNc3cccc(C(F)(F)F)c3)cc2=O)[nH]1 ZINC000101796614 557298697 /nfs/dbraw/zinc/29/86/97/557298697.db2.gz VLIWHRZKCRAICS-UHFFFAOYSA-N 0 0 444.417 3.669 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c1 ZINC000102081119 557298766 /nfs/dbraw/zinc/29/87/66/557298766.db2.gz BOFQNRMVJLPPBU-LPTQZCDUSA-N 0 0 435.476 3.661 50 0 IHAARN COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC ZINC000014084896 557300007 /nfs/dbraw/zinc/30/00/07/557300007.db2.gz ZENGVXCFAWGGCD-UHFFFAOYSA-N 0 0 432.542 3.685 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014093482 557302469 /nfs/dbraw/zinc/30/24/69/557302469.db2.gz DWWGFSMWOXUMCL-NSHDSACASA-N 0 0 428.568 3.963 50 0 IHAARN CCOc1ccc(CN(C(=O)c2ccccc2C)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878085 557304322 /nfs/dbraw/zinc/30/43/22/557304322.db2.gz DSGYEULPNNVZLC-UHFFFAOYSA-N 0 0 431.496 3.589 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1cccc(F)c1 ZINC000102745894 557306754 /nfs/dbraw/zinc/30/67/54/557306754.db2.gz CSPHGUZUECBPQW-HXUWFJFHSA-N 0 0 429.517 3.880 50 0 IHAARN O=C1C2[C@H](c3cccnc3)N[C@H](c3cccnc3)C1[C@@H](c1cccnc1)N[C@H]2c1cccnc1 ZINC000102059698 557309227 /nfs/dbraw/zinc/30/92/27/557309227.db2.gz LDJCBJLZNMUUBF-DMLNUTCASA-N 0 0 448.530 3.540 50 0 IHAARN COc1cc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2ccc(C)s2)c(OC)cc1Cl ZINC000220976522 557312750 /nfs/dbraw/zinc/31/27/50/557312750.db2.gz DUWCUYSWSYIJHP-SFHVURJKSA-N 0 0 445.932 3.899 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(=O)c1ccco1 ZINC000014199066 557316637 /nfs/dbraw/zinc/31/66/37/557316637.db2.gz OSPFMDWIJPGCKV-UHFFFAOYSA-N 0 0 441.509 3.779 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 ZINC000103699067 557318014 /nfs/dbraw/zinc/31/80/14/557318014.db2.gz OZENKDBZZCUWAR-IWMITWMQSA-N 0 0 435.476 3.661 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c(OC)c1 ZINC000033078159 557323678 /nfs/dbraw/zinc/32/36/78/557323678.db2.gz DBSVCUIBWDEVSH-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1cccc(C)c1 ZINC000033125510 557324643 /nfs/dbraw/zinc/32/46/43/557324643.db2.gz GXFCFTKLHQXALB-HXUWFJFHSA-N 0 0 425.916 3.977 50 0 IHAARN COc1cccc(CNC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128202 557324974 /nfs/dbraw/zinc/32/49/74/557324974.db2.gz YDJXATFRTIFXEB-OAHLLOKOSA-N 0 0 443.956 4.000 50 0 IHAARN O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131424 557325415 /nfs/dbraw/zinc/32/54/15/557325415.db2.gz IFGQFZYMFBCEAN-UHFFFAOYSA-N 0 0 432.901 3.608 50 0 IHAARN O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccccc2Cl)o1 ZINC000102443055 557325833 /nfs/dbraw/zinc/32/58/33/557325833.db2.gz GXXNHWFZCZXWMF-UHFFFAOYSA-N 0 0 427.869 3.895 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033169884 557326592 /nfs/dbraw/zinc/32/65/92/557326592.db2.gz HBYVIUJWXDRDSZ-AWEZNQCLSA-N 0 0 426.860 3.569 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251899 557327371 /nfs/dbraw/zinc/32/73/71/557327371.db2.gz SNBDUGUKIMNQNP-GOSISDBHSA-N 0 0 427.353 3.853 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NC2CCCC2)cc1OC ZINC000033268889 557328578 /nfs/dbraw/zinc/32/85/78/557328578.db2.gz ZIWXYLDQAOJBFW-UHFFFAOYSA-N 0 0 426.542 3.873 50 0 IHAARN COC(=O)c1ccc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc1 ZINC000072309597 557330816 /nfs/dbraw/zinc/33/08/16/557330816.db2.gz RIGCRWQVFDBASA-UHFFFAOYSA-N 0 0 438.461 3.811 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000033310520 557333908 /nfs/dbraw/zinc/33/39/08/557333908.db2.gz ORAUCIXKVDBGES-FQEVSTJZSA-N 0 0 438.524 3.623 50 0 IHAARN COc1cc(C2=N/C(=C/c3ccc(F)c(Br)c3)C(=O)O2)cc(OC)c1OC ZINC000033466973 557334954 /nfs/dbraw/zinc/33/49/54/557334954.db2.gz MLRDKXLFDLSGTL-VGOFMYFVSA-N 0 0 436.233 3.959 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000003396336 557335779 /nfs/dbraw/zinc/33/57/79/557335779.db2.gz FDJNCCGJOWIIRN-JXFKEZNVSA-N 0 0 437.565 3.890 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033411704 557338637 /nfs/dbraw/zinc/33/86/37/557338637.db2.gz KXXLZXWQIFCPGD-YFHOEESVSA-N 0 0 442.563 3.594 50 0 IHAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1 ZINC000023331783 557343865 /nfs/dbraw/zinc/34/38/65/557343865.db2.gz VRQGERQNHNFPTJ-UHFFFAOYSA-N 0 0 436.537 3.757 50 0 IHAARN O=C(CN1CCN(Cc2cccs2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000023365568 557350535 /nfs/dbraw/zinc/35/05/35/557350535.db2.gz VBQJNWPEXDZZIY-UHFFFAOYSA-N 0 0 434.537 3.906 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000102570087 557354767 /nfs/dbraw/zinc/35/47/67/557354767.db2.gz UNIVTLIREBHSFL-IYBDPMFKSA-N 0 0 449.454 3.642 50 0 IHAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 ZINC000220818933 557367125 /nfs/dbraw/zinc/36/71/25/557367125.db2.gz MGRODLCOMBHNBQ-FQEVSTJZSA-N 0 0 446.551 3.977 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2CCc3ccccc3C2)nc1 ZINC000102728501 557370545 /nfs/dbraw/zinc/37/05/45/557370545.db2.gz MRNANNGWIAVWGW-UHFFFAOYSA-N 0 0 442.544 3.766 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102734985 557372424 /nfs/dbraw/zinc/37/24/24/557372424.db2.gz VQCOQBCTHBUVPH-YTFSRNRJSA-N 0 0 448.450 3.894 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccsc1 ZINC000102746364 557378523 /nfs/dbraw/zinc/37/85/23/557378523.db2.gz JKWODYCYGCLTJF-LPHOPBHVSA-N 0 0 447.582 3.571 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=Nc2ncnn21 ZINC000102798687 557389465 /nfs/dbraw/zinc/38/94/65/557389465.db2.gz NDMPQWKHFRYCEW-INIZCTEOSA-N 0 0 430.249 3.947 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O ZINC000011694142 557392148 /nfs/dbraw/zinc/39/21/48/557392148.db2.gz YXVNJWYQVZFJET-UHFFFAOYSA-N 0 0 444.894 3.640 50 0 IHAARN Cc1cc(N2CCN([C@@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)CC2)nc(C(C)C)n1 ZINC000102835447 557394368 /nfs/dbraw/zinc/39/43/68/557394368.db2.gz ALWSGGPNEVISMC-JOCHJYFZSA-N 0 0 443.551 3.516 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956585 557398446 /nfs/dbraw/zinc/39/84/46/557398446.db2.gz FZPFOZSNSCASIF-UHFFFAOYSA-N 0 0 449.458 3.627 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cccc(C)c1C ZINC000004943697 557412925 /nfs/dbraw/zinc/41/29/25/557412925.db2.gz WCWYIJSFVPPOFS-UHFFFAOYSA-N 0 0 425.485 3.798 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cc(C)cc(C)c1 ZINC000004943545 557413017 /nfs/dbraw/zinc/41/30/17/557413017.db2.gz VYCHEZPTIBKBSF-UHFFFAOYSA-N 0 0 425.485 3.798 50 0 IHAARN CCn1c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2sc1=O ZINC000064946799 557421488 /nfs/dbraw/zinc/42/14/88/557421488.db2.gz VNSWPPDLFHSPKS-UHFFFAOYSA-N 0 0 427.345 3.955 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000103143573 557423260 /nfs/dbraw/zinc/42/32/60/557423260.db2.gz YOFUAKMQUDFWNX-JENIJYKNSA-N 0 0 443.617 3.884 50 0 IHAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1=O ZINC000014152767 557423644 /nfs/dbraw/zinc/42/36/44/557423644.db2.gz BRGFAOWRXRZGDA-UHFFFAOYSA-N 0 0 439.393 3.997 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3s2)cc1Br ZINC000014239413 557433459 /nfs/dbraw/zinc/43/34/59/557433459.db2.gz ABUHABVNXRVBTR-UHFFFAOYSA-N 0 0 427.345 3.888 50 0 IHAARN Cc1cc(NC(=O)Cn2nc(N3CCCC3)c3ccccc3c2=O)ccc1Br ZINC000065134238 557439508 /nfs/dbraw/zinc/43/95/08/557439508.db2.gz OQTWUEDFCCFTLD-UHFFFAOYSA-N 0 0 441.329 3.706 50 0 IHAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000103988722 557446241 /nfs/dbraw/zinc/44/62/41/557446241.db2.gz AYGFGNSZNSXOQQ-YKSBVNFPSA-N 0 0 437.584 3.746 50 0 IHAARN Cc1[nH]nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)c1C ZINC000096341499 557451912 /nfs/dbraw/zinc/45/19/12/557451912.db2.gz JYBDDPZBPCWOMB-UHFFFAOYSA-N 0 0 434.562 3.713 50 0 IHAARN C/C=C\c1ccc(OC[C@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 ZINC000104223728 557453487 /nfs/dbraw/zinc/45/34/87/557453487.db2.gz WMQMCRPTMLJPRC-GJEJWFRCSA-N 0 0 449.494 3.812 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000051316426 557464208 /nfs/dbraw/zinc/46/42/08/557464208.db2.gz JBLULPAXESURDA-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000051316711 557464703 /nfs/dbraw/zinc/46/47/03/557464703.db2.gz DVYDXRDLKNTQEM-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN CC[C@H](C)[C@@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O ZINC000018363074 557498728 /nfs/dbraw/zinc/49/87/28/557498728.db2.gz JBLVBDDEGYYHOH-DJJJIMSYSA-N 0 0 437.427 3.630 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000014867349 557509051 /nfs/dbraw/zinc/50/90/51/557509051.db2.gz PSODPSSMBGUDGL-UHFFFAOYSA-N 0 0 441.500 3.637 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000014867498 557514208 /nfs/dbraw/zinc/51/42/08/557514208.db2.gz HTCNEIXCYAFCMW-UHFFFAOYSA-N 0 0 445.919 3.967 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3ccc(C)cc3C)nc3cccnc32)c1 ZINC000047146172 557517498 /nfs/dbraw/zinc/51/74/98/557517498.db2.gz JZHFWSUFQHRRSV-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)c1 ZINC000047146189 557517547 /nfs/dbraw/zinc/51/75/47/557517547.db2.gz MUBSNTXPCNKFOG-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)n2)o1 ZINC000012052615 557525657 /nfs/dbraw/zinc/52/56/57/557525657.db2.gz KSQULJDTFPWPGN-UHFFFAOYSA-N 0 0 433.873 3.716 50 0 IHAARN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[S@](=O)Cc1csc(Br)c1 ZINC000107348484 557535633 /nfs/dbraw/zinc/53/56/33/557535633.db2.gz BVNLKEHEZQEKCT-IGMCBMAUSA-N 0 0 428.373 3.788 50 0 IHAARN COC(=O)c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000044859715 557538484 /nfs/dbraw/zinc/53/84/84/557538484.db2.gz ZECFAKUEZWQVNI-KRWDZBQOSA-N 0 0 430.892 3.883 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000109049955 557545667 /nfs/dbraw/zinc/54/56/67/557545667.db2.gz KFCRDOJWKYRVPL-ZRGWGRIASA-N 0 0 427.383 3.550 50 0 IHAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000045943040 557552201 /nfs/dbraw/zinc/55/22/01/557552201.db2.gz MDUDFXLABANXNH-UHFFFAOYSA-N 0 0 439.468 3.738 50 0 IHAARN Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1 ZINC000039572992 557651452 /nfs/dbraw/zinc/65/14/52/557651452.db2.gz BKTFSRDMVKFTJH-MRXNPFEDSA-N 0 0 444.553 3.631 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000000627670 557656903 /nfs/dbraw/zinc/65/69/03/557656903.db2.gz DOOMGAMTFDRVME-FQEVSTJZSA-N 0 0 443.521 3.708 50 0 IHAARN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000040145324 557702583 /nfs/dbraw/zinc/70/25/83/557702583.db2.gz ZVCOHNLNGFMZCF-ZCCKZZATSA-N 0 0 428.507 3.898 50 0 IHAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000040266572 557708179 /nfs/dbraw/zinc/70/81/79/557708179.db2.gz NQLBAMGZOMNTJY-QFIPXVFZSA-N 0 0 427.888 3.676 50 0 IHAARN CC(C)c1c(C(=O)N2CCN(c3ncncc3Cl)CC2)cnn1-c1ccc(F)cc1 ZINC000225384663 557717010 /nfs/dbraw/zinc/71/70/10/557717010.db2.gz YMYKAJBLKBZRDV-UHFFFAOYSA-N 0 0 428.899 3.541 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000225414519 557720165 /nfs/dbraw/zinc/72/01/65/557720165.db2.gz KAZCOCJQGQOORQ-MAUKXSAKSA-N 0 0 436.478 3.877 50 0 IHAARN CCNC(=O)N(C)c1cccc(NC(=O)CCC(=O)N2CCSc3ccccc32)c1 ZINC000225432218 557722391 /nfs/dbraw/zinc/72/23/91/557722391.db2.gz IMTZPTVCJKUFKZ-UHFFFAOYSA-N 0 0 426.542 3.710 50 0 IHAARN Cc1cccc(CC2(O)CCN(C(=O)COc3ccccc3OCC(F)(F)F)CC2)c1 ZINC000225433176 557722532 /nfs/dbraw/zinc/72/25/32/557722532.db2.gz REIGGILVQWAPCD-UHFFFAOYSA-N 0 0 437.458 3.911 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@H](c2ccccc2Cl)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000028724828 557722828 /nfs/dbraw/zinc/72/28/28/557722828.db2.gz LYSGVXSHICUBJI-FQEVSTJZSA-N 0 0 443.956 3.909 50 0 IHAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000225538558 557738465 /nfs/dbraw/zinc/73/84/65/557738465.db2.gz FEIVBKUKTJNIIF-DEOSSOPVSA-N 0 0 449.501 3.780 50 0 IHAARN O=C(CCc1ccccc1Br)NC[C@H](O)c1cccc(Br)c1 ZINC000225736991 557770775 /nfs/dbraw/zinc/77/07/75/557770775.db2.gz QZRAWBRLLQTQFV-INIZCTEOSA-N 0 0 427.136 3.994 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3cccc3)nc2)[C@@H](c2cccnc2)C1 ZINC000225738755 557770934 /nfs/dbraw/zinc/77/09/34/557770934.db2.gz NXFOBEHZNOLSCX-HXUWFJFHSA-N 0 0 433.512 3.702 50 0 IHAARN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000226815393 557809469 /nfs/dbraw/zinc/80/94/69/557809469.db2.gz UIBYGIRRCNPPCR-YTFSRNRJSA-N 0 0 430.460 3.842 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 ZINC000000846231 557829085 /nfs/dbraw/zinc/82/90/85/557829085.db2.gz STKOGXRFGPSVMY-HTAPYJJXSA-N 0 0 437.540 3.714 50 0 IHAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000014068132 557836944 /nfs/dbraw/zinc/83/69/44/557836944.db2.gz CODOVNOUHLWOIS-KNQAVFIVSA-N 0 0 431.458 3.908 50 0 IHAARN CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 ZINC000239331373 557844036 /nfs/dbraw/zinc/84/40/36/557844036.db2.gz KNPYMOWDLIKHOY-PXNSSMCTSA-N 0 0 438.549 3.745 50 0 IHAARN COCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC000240871401 557845775 /nfs/dbraw/zinc/84/57/75/557845775.db2.gz IKHLQILFFDNLAI-QGZVFWFLSA-N 0 0 442.539 3.711 50 0 IHAARN CCOc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000242324372 557847732 /nfs/dbraw/zinc/84/77/32/557847732.db2.gz ZASABIPYTWBGDG-UHFFFAOYSA-N 0 0 430.551 3.897 50 0 IHAARN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000000873159 557848016 /nfs/dbraw/zinc/84/80/16/557848016.db2.gz HJOAIOKXFVRDAL-UHFFFAOYSA-N 0 0 445.520 3.797 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(OC)c1 ZINC000000877588 557848457 /nfs/dbraw/zinc/84/84/57/557848457.db2.gz NGPGCGHMTPBTHS-UHFFFAOYSA-N 0 0 445.566 3.622 50 0 IHAARN COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000886956 557855753 /nfs/dbraw/zinc/85/57/53/557855753.db2.gz OHELSVFOVUYPDC-UHFFFAOYSA-N 0 0 436.961 3.802 50 0 IHAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001076727 562920316 /nfs/dbraw/zinc/92/03/16/562920316.db2.gz LIZKXMHIBZECLW-AWEZNQCLSA-N 0 0 428.945 3.841 50 0 IHAARN CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001243042 562921041 /nfs/dbraw/zinc/92/10/41/562921041.db2.gz XHQGXJOJEASMNJ-OAHLLOKOSA-N 0 0 426.567 3.973 50 0 IHAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000001425723 562921874 /nfs/dbraw/zinc/92/18/74/562921874.db2.gz DXTCNGZILVGYAE-CQSZACIVSA-N 0 0 428.945 3.841 50 0 aggregator IHAARN COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4cccc(OC)c4)n3)cc2)c1 ZINC000001425917 562921886 /nfs/dbraw/zinc/92/18/86/562921886.db2.gz PQWNXNLTWBTKHS-UHFFFAOYSA-N 0 0 430.464 3.763 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001773381 562924614 /nfs/dbraw/zinc/92/46/14/562924614.db2.gz WDBSUQQXYGRRAC-HNNXBMFYSA-N 0 0 431.510 3.844 50 0 IHAARN COc1ccc(OCC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2OC)cc1 ZINC000002231042 562926513 /nfs/dbraw/zinc/92/65/13/562926513.db2.gz FTWWXBRJAWFLBD-UHFFFAOYSA-N 0 0 445.475 3.635 50 0 IHAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc32)cc1S(N)(=O)=O ZINC000002314534 562926926 /nfs/dbraw/zinc/92/69/26/562926926.db2.gz ONSWFCUAGPGBRU-UHFFFAOYSA-N 0 0 434.477 3.725 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(Cc2ccco2)c1=O)CCCCC3)Nc1ccccc1 ZINC000002341438 562927090 /nfs/dbraw/zinc/92/70/90/562927090.db2.gz YCSRTHAGBVGRFC-UHFFFAOYSA-N 0 0 449.532 3.774 50 0 aggregator IHAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1ccccc1C)CC(C)(C)OC3 ZINC000002383866 562927291 /nfs/dbraw/zinc/92/72/91/562927291.db2.gz HPYCOOAKYGYCSC-UHFFFAOYSA-N 0 0 438.553 3.702 50 0 IHAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NNc1cc(-c2ccccc2)nc(C)n1 ZINC000002396724 562927367 /nfs/dbraw/zinc/92/73/67/562927367.db2.gz XJAVAOBOTQPWTJ-UHFFFAOYSA-N 0 0 444.499 3.660 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000002631981 562928856 /nfs/dbraw/zinc/92/88/56/562928856.db2.gz KCZFEJUSOGYPLN-UHFFFAOYSA-N 0 0 433.559 3.581 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F ZINC000003025006 562931843 /nfs/dbraw/zinc/93/18/43/562931843.db2.gz OQFIYKSJXRRGPF-UHFFFAOYSA-N 0 0 426.897 3.833 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C ZINC000003323671 562934223 /nfs/dbraw/zinc/93/42/23/562934223.db2.gz JVPHBRFLWFNKRQ-UHFFFAOYSA-N 0 0 434.467 3.807 50 0 aggregator IHAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000003361916 562934854 /nfs/dbraw/zinc/93/48/54/562934854.db2.gz LOXKQFUSRQYFQU-UHFFFAOYSA-N 0 0 442.821 3.887 50 0 aggregator IHAARN CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC000003417329 562935503 /nfs/dbraw/zinc/93/55/03/562935503.db2.gz RIXIQBVYVSLIRF-UHFFFAOYSA-N 0 0 448.957 3.758 50 0 IHAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCCOCC)cc1OC ZINC000004035230 562941049 /nfs/dbraw/zinc/94/10/49/562941049.db2.gz AAPDXRXFWHZHLN-DEOSSOPVSA-N 0 0 446.588 3.955 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000006147921 562946354 /nfs/dbraw/zinc/94/63/54/562946354.db2.gz QIHHNONCRDTKPQ-CQSZACIVSA-N 0 0 447.582 3.856 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c1 ZINC000006443440 562946710 /nfs/dbraw/zinc/94/67/10/562946710.db2.gz FPMDABHYTXKVGL-UHFFFAOYSA-N 0 0 441.557 3.792 50 0 IHAARN CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)CC1 ZINC000006577368 562947644 /nfs/dbraw/zinc/94/76/44/562947644.db2.gz SJRUQZAWWAAFJG-UHFFFAOYSA-N 0 0 427.549 3.686 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000006940723 562948610 /nfs/dbraw/zinc/94/86/10/562948610.db2.gz GVBHHWBHTLZXFM-PMACEKPBSA-N 0 0 425.573 3.872 50 0 IHAARN Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1 ZINC000008586933 562950205 /nfs/dbraw/zinc/95/02/05/562950205.db2.gz PBNGVUVUEVZGCG-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc21 ZINC000008588017 562950617 /nfs/dbraw/zinc/95/06/17/562950617.db2.gz MIMPCXYJQSQTNH-QFIPXVFZSA-N 0 0 434.927 3.902 50 0 IHAARN COc1cc(CNC(=O)c2cnc(SC)nc2-c2ccccc2)cc(OC)c1OC ZINC000008590930 562951913 /nfs/dbraw/zinc/95/19/13/562951913.db2.gz GPMXGZINJAATTF-UHFFFAOYSA-N 0 0 425.510 3.821 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1 ZINC000008592854 562952485 /nfs/dbraw/zinc/95/24/85/562952485.db2.gz AUJOMXQCULDSBG-UHFFFAOYSA-N 0 0 444.534 3.812 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCc1ccccc1Cl ZINC000008597708 562954056 /nfs/dbraw/zinc/95/40/56/562954056.db2.gz JPTPOJBBCOEQPF-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN Cc1ccc2[nH]c(CSc3nnc(NC(=O)COc4ccccc4)s3)cc(=O)c2c1 ZINC000008598059 562954165 /nfs/dbraw/zinc/95/41/65/562954165.db2.gz LYEFUMZNQJRNRL-UHFFFAOYSA-N 0 0 438.534 3.998 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2ccccc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000008601692 562955548 /nfs/dbraw/zinc/95/55/48/562955548.db2.gz NMXPZYHKIAQPQM-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4cc(F)ccc4F)c(=O)n3n2)c1 ZINC000008601924 562955738 /nfs/dbraw/zinc/95/57/38/562955738.db2.gz BJIKPHXBCNOSTR-UHFFFAOYSA-N 0 0 445.429 3.937 50 0 IHAARN Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1C ZINC000008605565 562956818 /nfs/dbraw/zinc/95/68/18/562956818.db2.gz RZTQULUQWOTGLJ-UHFFFAOYSA-N 0 0 427.526 3.938 50 0 IHAARN COc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 ZINC000008607115 562957233 /nfs/dbraw/zinc/95/72/33/562957233.db2.gz ZSRAROGKEWJBLA-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN COC(=O)CCN(c1ccccc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008611620 562958711 /nfs/dbraw/zinc/95/87/11/562958711.db2.gz XJIXENABQUHPBX-HSZRJFAPSA-N 0 0 438.549 3.776 50 0 IHAARN COc1c(Cl)cc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008612159 562958968 /nfs/dbraw/zinc/95/89/68/562958968.db2.gz IFLQVZHWEFMCCH-AWEZNQCLSA-N 0 0 446.327 3.971 50 0 IHAARN C=Cc1ccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)ccc2=O)cc1 ZINC000008654840 562960259 /nfs/dbraw/zinc/96/02/59/562960259.db2.gz ZBHKAMYTZFVQFA-UHFFFAOYSA-N 0 0 437.565 3.941 50 0 IHAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Br)o3)co2)n1 ZINC000008683882 562962097 /nfs/dbraw/zinc/96/20/97/562962097.db2.gz NKTZTQXAXSFVDT-UHFFFAOYSA-N 0 0 437.271 3.914 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)n1 ZINC000008693882 562963699 /nfs/dbraw/zinc/96/36/99/562963699.db2.gz JCBWFUDCLOMGHC-UHFFFAOYSA-N 0 0 432.933 3.645 50 0 IHAARN CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccccn4)c12)OC(C)(C)CC3 ZINC000008791406 562964190 /nfs/dbraw/zinc/96/41/90/562964190.db2.gz MJAUXSBPRZFFSF-UHFFFAOYSA-N 0 0 436.508 3.939 50 0 biogenic IHAARN CC(=O)c1cccc(NC(=O)COc2cc3oc(=O)c(C[C@H](C)O)c(C)c3cc2Cl)c1 ZINC000008830220 562964795 /nfs/dbraw/zinc/96/47/95/562964795.db2.gz ZEOTTYLCJGDTHS-LBPRGKRZSA-N 0 0 443.883 3.898 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000008878083 562965694 /nfs/dbraw/zinc/96/56/94/562965694.db2.gz MOUXCHDFJJVLRM-LBPRGKRZSA-N 0 0 445.869 3.547 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1ccccc1 ZINC000008897368 562965826 /nfs/dbraw/zinc/96/58/26/562965826.db2.gz BOEDCQYIXGOQJR-AREMUKBSSA-N 0 0 443.503 3.566 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000009405536 562970050 /nfs/dbraw/zinc/97/00/50/562970050.db2.gz MNJRVXATZCEAAP-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1Cl ZINC000009441020 562971177 /nfs/dbraw/zinc/97/11/77/562971177.db2.gz PZAQOPLVVLPOCK-LBPRGKRZSA-N 0 0 438.958 3.884 50 0 IHAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000009491413 562972080 /nfs/dbraw/zinc/97/20/80/562972080.db2.gz ZBTZSFSAJJVZHX-UHFFFAOYSA-N 0 0 445.566 3.857 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000009508728 562972542 /nfs/dbraw/zinc/97/25/42/562972542.db2.gz COYOGPFJFCHIOZ-UHFFFAOYSA-N 0 0 441.325 3.999 50 0 IHAARN COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)COC)c1C ZINC000009540422 562973086 /nfs/dbraw/zinc/97/30/86/562973086.db2.gz HJAHNBLVBFQIME-INIZCTEOSA-N 0 0 443.569 3.644 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000009625013 562974331 /nfs/dbraw/zinc/97/43/31/562974331.db2.gz GMMIAGRMABIORI-GOSISDBHSA-N 0 0 446.569 3.502 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)ccc1C ZINC000009644296 562974741 /nfs/dbraw/zinc/97/47/41/562974741.db2.gz RHVNKHSSYZPGFR-CQSZACIVSA-N 0 0 447.582 3.711 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1Cl ZINC000009673945 562975328 /nfs/dbraw/zinc/97/53/28/562975328.db2.gz JEMMQNXYEHOOCH-UHFFFAOYSA-N 0 0 434.880 3.831 50 0 IHAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O ZINC000013009311 562984032 /nfs/dbraw/zinc/98/40/32/562984032.db2.gz BDLKAVKORHZDKA-DLBZAZTESA-N 0 0 425.504 3.789 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000013011515 562984125 /nfs/dbraw/zinc/98/41/25/562984125.db2.gz HCBLACKLBQNGEY-UHFFFAOYSA-N 0 0 436.942 3.808 50 0 IHAARN CCOc1cc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc(Cl)c1OC ZINC000013012998 562984170 /nfs/dbraw/zinc/98/41/70/562984170.db2.gz KOLALRQXBMUWMA-CMDGGOBGSA-N 0 0 436.961 3.987 50 0 IHAARN CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000013102288 562984436 /nfs/dbraw/zinc/98/44/36/562984436.db2.gz KOTQDXOXUNHJPR-HMPZBHLVSA-N 0 0 435.517 3.591 50 0 IHAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)NCCCN1CCOCC1 ZINC000020321669 563024456 /nfs/dbraw/zinc/02/44/56/563024456.db2.gz AYTLBHGVMJZICO-UHFFFAOYSA-N 0 0 434.005 3.698 50 0 IHAARN Cc1cc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000024683089 563027274 /nfs/dbraw/zinc/02/72/74/563027274.db2.gz VVZNXYGUUYATNG-UHFFFAOYSA-N 0 0 444.553 3.582 50 0 IHAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000026829352 563037160 /nfs/dbraw/zinc/03/71/60/563037160.db2.gz JGZRPRSJSQLFBO-DYZSFVSISA-N 0 0 430.585 3.962 50 0 in-vitro IHAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccnc4ccc(C)cc43)C2)CC1 ZINC000055225712 563142426 /nfs/dbraw/zinc/14/24/26/563142426.db2.gz MZACRUMRLLLMJX-NRFANRHFSA-N 0 0 444.579 3.979 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 ZINC000058012553 563143288 /nfs/dbraw/zinc/14/32/88/563143288.db2.gz HQOSKHNFITZBGB-FQEVSTJZSA-N 0 0 430.888 3.587 50 0 IHAARN COC(=O)C1CCN(C(=O)CN(C)Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000018939281 568627182 /nfs/dbraw/zinc/62/71/82/568627182.db2.gz UQXFPAADMIHWQK-UHFFFAOYSA-N 0 0 449.345 3.553 50 0 IHAARN Cc1c(-c2ccccc2)sc2ncn(Cc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c12 ZINC000018960018 568630250 /nfs/dbraw/zinc/63/02/50/568630250.db2.gz MSMKJXSFKJTVDB-UHFFFAOYSA-N 0 0 439.562 3.732 50 0 IHAARN Cc1cc(N2CCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)nc(C(C)C)n1 ZINC000015032349 568632939 /nfs/dbraw/zinc/63/29/39/568632939.db2.gz VQYQDDZWOKZLGI-UHFFFAOYSA-N 0 0 436.604 3.659 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000025084039 568635528 /nfs/dbraw/zinc/63/55/28/568635528.db2.gz JIYMTWRWXCRPGV-CQSZACIVSA-N 0 0 432.398 3.766 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000000909678 568636573 /nfs/dbraw/zinc/63/65/73/568636573.db2.gz QYEAVLGOFFNYSF-FQEVSTJZSA-N 0 0 425.485 3.596 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)Nc2cccc3nsnc32)c1 ZINC000019077179 568637346 /nfs/dbraw/zinc/63/73/46/568637346.db2.gz CMOTVBZKQRHTJM-UHFFFAOYSA-N 0 0 438.465 3.671 50 0 IHAARN CCCCn1c(SCC(=O)Nc2cccc3nsnc32)nc2ccccc2c1=O ZINC000019077443 568638546 /nfs/dbraw/zinc/63/85/46/568638546.db2.gz RYHOJIGIZUDOTG-UHFFFAOYSA-N 0 0 425.539 3.932 50 0 IHAARN Cc1sc2ncnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1C ZINC000000952958 568645087 /nfs/dbraw/zinc/64/50/87/568645087.db2.gz SQIKBPWNFAZIKL-UHFFFAOYSA-N 0 0 439.566 3.837 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2ccccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000025160166 568645506 /nfs/dbraw/zinc/64/55/06/568645506.db2.gz OFYCBCRZVHHKTG-CYBMUJFWSA-N 0 0 442.006 3.924 50 0 IHAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025245035 568649088 /nfs/dbraw/zinc/64/90/88/568649088.db2.gz KFHYDEOJOOGAAW-UHFFFAOYSA-N 0 0 427.810 3.835 50 0 IHAARN Nc1cc(=O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1CCc1ccccc1 ZINC000001076718 568656759 /nfs/dbraw/zinc/65/67/59/568656759.db2.gz ZUWJQSPRPYDVER-UHFFFAOYSA-N 0 0 430.533 3.952 50 0 IHAARN COC(=O)[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1c1ccc(=O)oc1 ZINC000257346917 568730874 /nfs/dbraw/zinc/73/08/74/568730874.db2.gz FCBMOZHERSIGKF-FIRVSDCBSA-N 0 0 444.568 3.641 50 0 IHAARN Cc1cc(=O)oc2c(I)c(OC(=O)COc3ccccc3)ccc12 ZINC000001183314 568736215 /nfs/dbraw/zinc/73/62/15/568736215.db2.gz PWYZIOISLHBWNQ-UHFFFAOYSA-N 0 0 436.201 3.690 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1OC ZINC000025618672 568741677 /nfs/dbraw/zinc/74/16/77/568741677.db2.gz GXPWQSHJFGHUAB-KRWDZBQOSA-N 0 0 441.553 3.846 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003319469 568745997 /nfs/dbraw/zinc/74/59/97/568745997.db2.gz ALYBOLRGUAPOFG-JTQLQIEISA-N 0 0 446.784 3.798 50 0 IHAARN CCCn1nc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c2ccccc2c1=O ZINC000003324260 568746008 /nfs/dbraw/zinc/74/60/08/568746008.db2.gz QJMOSQCWDWLOFP-UHFFFAOYSA-N 0 0 449.429 3.827 50 0 IHAARN CCOc1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 ZINC000044096992 568748289 /nfs/dbraw/zinc/74/82/89/568748289.db2.gz ZDNJNIXBFVAHGQ-UHFFFAOYSA-N 0 0 447.417 3.512 50 0 IHAARN COc1ccc(OCc2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000044227202 568750125 /nfs/dbraw/zinc/75/01/25/568750125.db2.gz IKNCVLABUWVZAL-UHFFFAOYSA-N 0 0 438.267 3.659 50 0 IHAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NCCC1=CCCCC1 ZINC000003502844 568750375 /nfs/dbraw/zinc/75/03/75/568750375.db2.gz FACMMLHNFXAJFJ-AREMUKBSSA-N 0 0 431.536 3.683 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(Br)s1 ZINC000003536772 568750459 /nfs/dbraw/zinc/75/04/59/568750459.db2.gz AIAOAEDWARFGJQ-UHFFFAOYSA-N 0 0 425.333 3.860 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614842 568751611 /nfs/dbraw/zinc/75/16/11/568751611.db2.gz USPHTITUESVSAY-IWXKUNQBSA-N 0 0 444.443 3.653 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)ccc1OC(C)=O ZINC000003636551 568752144 /nfs/dbraw/zinc/75/21/44/568752144.db2.gz UXLXVMBCDQBBCY-BFUOFWGJSA-N 0 0 446.525 3.611 50 0 IHAARN COc1cc(OC)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Br ZINC000003667789 568753913 /nfs/dbraw/zinc/75/39/13/568753913.db2.gz YURZDTINXIYEAB-ZROIWOOFSA-N 0 0 425.348 3.857 50 0 IHAARN CCOC(=O)N[C@](Nc1ccc(OC(F)(F)Cl)cc1)(C(=O)OCC)C(F)(F)F ZINC000003672610 568754277 /nfs/dbraw/zinc/75/42/77/568754277.db2.gz DPXDMGABDLXUHY-CYBMUJFWSA-N 0 0 434.745 3.834 50 0 IHAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000025638350 568755069 /nfs/dbraw/zinc/75/50/69/568755069.db2.gz CORCFEGNQVGKLG-UHFFFAOYSA-N 0 0 443.750 3.851 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc(C)c4ccc(C)cc4n3)CC2)cc1OC ZINC000299765899 568756232 /nfs/dbraw/zinc/75/62/32/568756232.db2.gz ZDXZVWAIOQRFJF-UHFFFAOYSA-N 0 0 434.540 3.797 50 0 IHAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N(C)Cc1nccs1)C2 ZINC000299768454 568756409 /nfs/dbraw/zinc/75/64/09/568756409.db2.gz VJOIKSNKOPCQEC-CYBMUJFWSA-N 0 0 440.550 3.564 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000015350640 568758703 /nfs/dbraw/zinc/75/87/03/568758703.db2.gz CFKDUEBUWLYLGO-XUZZJYLKSA-N 0 0 449.551 3.648 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000015391093 568761521 /nfs/dbraw/zinc/76/15/21/568761521.db2.gz HBMXJLHZROAAGW-QGZVFWFLSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1 ZINC000001244146 568774682 /nfs/dbraw/zinc/77/46/82/568774682.db2.gz KDIHKOJVKFRYSX-QGZVFWFLSA-N 0 0 439.331 3.577 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cccc(Br)c4)c3CO2)cc1 ZINC000263615575 568776091 /nfs/dbraw/zinc/77/60/91/568776091.db2.gz DBUYMUWBMSJVSF-QGZVFWFLSA-N 0 0 429.274 3.573 50 0 IHAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1OC(F)(F)F ZINC000263616115 568776947 /nfs/dbraw/zinc/77/69/47/568776947.db2.gz HDRKDWVTBHKZJP-UHFFFAOYSA-N 0 0 433.361 3.741 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000263619485 568778181 /nfs/dbraw/zinc/77/81/81/568778181.db2.gz YWPLYQZTUOAIMQ-QGZVFWFLSA-N 0 0 433.556 3.711 50 0 IHAARN C[C@H](Sc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3)C(=O)Nc1ccccc1 ZINC000001306053 568779272 /nfs/dbraw/zinc/77/92/72/568779272.db2.gz GEKIMBWRYIPDRR-LBPRGKRZSA-N 0 0 439.566 3.641 50 0 IHAARN O=C(CCSCc1cn2ccccc2n1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000025761683 568779683 /nfs/dbraw/zinc/77/96/83/568779683.db2.gz KFCGGDBHNRZUOY-UHFFFAOYSA-N 0 0 436.581 3.513 50 0 IHAARN COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001321052 568779970 /nfs/dbraw/zinc/77/99/70/568779970.db2.gz WNGOPCLCAAPWNW-CYBMUJFWSA-N 0 0 426.542 3.651 50 0 IHAARN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1 ZINC000001360453 568782143 /nfs/dbraw/zinc/78/21/43/568782143.db2.gz UTMBYPWTTFSWPO-OAHLLOKOSA-N 0 0 433.917 3.967 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cnc(-n2cccn2)cn1 ZINC000083867573 568784006 /nfs/dbraw/zinc/78/40/06/568784006.db2.gz HWZGZJYTFFJJTF-UHFFFAOYSA-N 0 0 435.491 3.787 50 0 IHAARN CN1C[C@H](C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CC1=O ZINC000083877388 568784224 /nfs/dbraw/zinc/78/42/24/568784224.db2.gz YSWASCBVRHZFPB-SNVBAGLBSA-N 0 0 432.249 3.813 50 0 IHAARN CN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000001409723 568787535 /nfs/dbraw/zinc/78/75/35/568787535.db2.gz BZTXRIWCALTEKM-FQEVSTJZSA-N 0 0 435.524 3.845 50 0 IHAARN Cn1ncc2c3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](c4cccs4)N5)nn3cnc21 ZINC000002802455 568789432 /nfs/dbraw/zinc/78/94/32/568789432.db2.gz YUUSYKXMQBOZFY-ZWNOBZJWSA-N 0 0 445.434 3.596 50 0 IHAARN CCc1cccc(CC)c1NC(=O)Cn1nc(-c2ccc(C)c(NC(C)=O)c2)ccc1=O ZINC000016647448 568790821 /nfs/dbraw/zinc/79/08/21/568790821.db2.gz RKSBYOTWWXZLFT-UHFFFAOYSA-N 0 0 432.524 3.941 50 0 IHAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc4c(c3)OCO4)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427012 568793943 /nfs/dbraw/zinc/79/39/43/568793943.db2.gz HMJFZFRRRYKMCS-ILBGXUMGSA-N 0 0 449.459 3.971 50 0 IHAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000084372750 568797522 /nfs/dbraw/zinc/79/75/22/568797522.db2.gz DSPYTVZLSXWPRV-LJQANCHMSA-N 0 0 430.277 3.988 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1F ZINC000015579489 568798854 /nfs/dbraw/zinc/79/88/54/568798854.db2.gz KETBFERVTSNVII-UHFFFAOYSA-N 0 0 427.295 3.625 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cc(Cl)ccc1O ZINC000084674077 568799846 /nfs/dbraw/zinc/79/98/46/568799846.db2.gz JFCAPXWCKGSFSK-QFIPXVFZSA-N 0 0 427.888 3.763 50 0 IHAARN C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000084678312 568799866 /nfs/dbraw/zinc/79/98/66/568799866.db2.gz UGVTWHMTDWFFFF-MEDUHNTESA-N 0 0 449.364 3.935 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2c1C ZINC000084795585 568801500 /nfs/dbraw/zinc/80/15/00/568801500.db2.gz UTQUVGNEULOPIQ-CQSZACIVSA-N 0 0 444.601 3.960 50 0 IHAARN CCOc1ccc(NCc2nnc(-c3ccc(F)cc3)o2)cc1S(=O)(=O)N1CCCC1 ZINC000084810932 568801688 /nfs/dbraw/zinc/80/16/88/568801688.db2.gz IMMNXTDDWVMUKF-UHFFFAOYSA-N 0 0 446.504 3.671 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000015669048 568801729 /nfs/dbraw/zinc/80/17/29/568801729.db2.gz SPJZQXYTVBLPPU-OAQYLSRUSA-N 0 0 425.510 3.981 50 0 IHAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1 ZINC000015670283 568802157 /nfs/dbraw/zinc/80/21/57/568802157.db2.gz RBMNHRSQCAFUCC-GOSISDBHSA-N 0 0 426.480 3.906 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000015671320 568802769 /nfs/dbraw/zinc/80/27/69/568802769.db2.gz DYVQOCFNSSNXBH-UHFFFAOYSA-N 0 0 427.530 3.794 50 0 IHAARN COc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000015678123 568804535 /nfs/dbraw/zinc/80/45/35/568804535.db2.gz MEVZAQPTHQCQGJ-RUZDIDTESA-N 0 0 440.588 3.766 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1cnn2c1ncc1c2CC[C@H](C)C1 ZINC000015723274 568812126 /nfs/dbraw/zinc/81/21/26/568812126.db2.gz QFJPQFWNHYFVGG-LBPRGKRZSA-N 0 0 429.318 3.555 50 0 IHAARN O=C(NCc1cccc(Br)c1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000015727991 568812929 /nfs/dbraw/zinc/81/29/29/568812929.db2.gz NPPKROHWJHUZJC-UHFFFAOYSA-N 0 0 446.374 3.624 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c(OC)c1 ZINC000015730848 568814311 /nfs/dbraw/zinc/81/43/11/568814311.db2.gz BWMBHXQUISXIKQ-JTQLQIEISA-N 0 0 442.946 3.838 50 0 IHAARN CCN(CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2)c1ccccc1 ZINC000015731140 568814675 /nfs/dbraw/zinc/81/46/75/568814675.db2.gz WPKXBHZOQDMSGZ-MRXNPFEDSA-N 0 0 433.599 3.562 50 0 IHAARN CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NC3CCCC3)cc2)C1=O ZINC000015732888 568815413 /nfs/dbraw/zinc/81/54/13/568815413.db2.gz LZDLHQPLOOAMOC-UHFFFAOYSA-N 0 0 442.512 3.601 50 0 IHAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000015732590 568815423 /nfs/dbraw/zinc/81/54/23/568815423.db2.gz VKWHACGSKZJJBK-UHFFFAOYSA-N 0 0 435.509 3.523 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c(Cl)c1 ZINC000015732616 568815610 /nfs/dbraw/zinc/81/56/10/568815610.db2.gz LZAGRDWZSRMQBF-UHFFFAOYSA-N 0 0 443.891 3.916 50 0 IHAARN CCSc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1CCOC ZINC000085393033 568817078 /nfs/dbraw/zinc/81/70/78/568817078.db2.gz QUICLWAOTNTQDZ-UHFFFAOYSA-N 0 0 442.566 3.895 50 0 IHAARN Cn1ncc(NCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085392153 568817089 /nfs/dbraw/zinc/81/70/89/568817089.db2.gz VNNCRZBTWYBDTI-UHFFFAOYSA-N 0 0 434.374 3.912 50 0 IHAARN Nc1nc(CSCC(=O)Nc2ccccc2Br)nc(Nc2ccccc2)n1 ZINC000019223715 568817306 /nfs/dbraw/zinc/81/73/06/568817306.db2.gz VADRXHADNYYJDU-UHFFFAOYSA-N 0 0 445.346 3.832 50 0 IHAARN C[C@H](NC(=O)CN1c2ccccc2Sc2ncccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000015736037 568817311 /nfs/dbraw/zinc/81/73/11/568817311.db2.gz DKMFMNGQKXMSFU-HNNXBMFYSA-N 0 0 447.516 3.842 50 0 IHAARN O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774128 568823144 /nfs/dbraw/zinc/82/31/44/568823144.db2.gz PHUNQOZSBCJPJL-VWLOTQADSA-N 0 0 441.531 3.729 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780731 568825230 /nfs/dbraw/zinc/82/52/30/568825230.db2.gz XMVIWFFABZTNDE-HXUWFJFHSA-N 0 0 431.535 3.710 50 0 IHAARN CCc1ccc(N2CC[C@H](C(=O)NCc3cc(Br)ccc3OC)C2=O)cc1 ZINC000015782637 568826298 /nfs/dbraw/zinc/82/62/98/568826298.db2.gz PCIJASUVRGHYRB-GOSISDBHSA-N 0 0 431.330 3.689 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@@H]1CCCO1 ZINC000085704109 568835452 /nfs/dbraw/zinc/83/54/52/568835452.db2.gz FVPLPWNFIMUOCD-HNNXBMFYSA-N 0 0 437.525 3.863 50 0 IHAARN O=C(N/C(=C/C=C\c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000101065392 568837132 /nfs/dbraw/zinc/83/71/32/568837132.db2.gz DLUJQPACKBLSCO-HAOHWQEVSA-N 0 0 441.325 3.635 50 0 IHAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085875275 568838135 /nfs/dbraw/zinc/83/81/35/568838135.db2.gz TUIXUCMTNRXEGM-INIZCTEOSA-N 0 0 427.478 3.736 50 0 biogenic IHAARN COc1cnc(CSc2ncccn2)cc1OCC(=O)NCc1ccccc1Cl ZINC000015824351 568840384 /nfs/dbraw/zinc/84/03/84/568840384.db2.gz RNXNOPPKWJQDGM-UHFFFAOYSA-N 0 0 430.917 3.521 50 0 IHAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)Nc1ccccc1F ZINC000015824411 568840386 /nfs/dbraw/zinc/84/03/86/568840386.db2.gz NUQSKDKVPREHGJ-UHFFFAOYSA-N 0 0 428.489 3.946 50 0 IHAARN COc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c1 ZINC000015827866 568841146 /nfs/dbraw/zinc/84/11/46/568841146.db2.gz NGTLUNWHYVQOQU-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2ccccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000015829327 568841200 /nfs/dbraw/zinc/84/12/00/568841200.db2.gz AFWRETIDDAKVEZ-IBGZPJMESA-N 0 0 431.492 3.662 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000248157856 568843836 /nfs/dbraw/zinc/84/38/36/568843836.db2.gz MZGVLPUBHKJFOJ-YCAMKHIRSA-N 0 0 435.483 3.757 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1ccc(-c2ccccc2)cc1 ZINC000254402839 568843967 /nfs/dbraw/zinc/84/39/67/568843967.db2.gz KQSZOQSYWIEUIS-RCTAOEEJSA-N 0 0 447.494 3.951 50 0 IHAARN CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 ZINC000015858288 568846419 /nfs/dbraw/zinc/84/64/19/568846419.db2.gz WVLOMMFUPFWIGT-UHFFFAOYSA-N 0 0 435.933 3.505 50 0 IHAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2n1-c1ccccc1 ZINC000006147793 568846421 /nfs/dbraw/zinc/84/64/21/568846421.db2.gz PXAYKBGHPHHLDR-UHFFFAOYSA-N 0 0 434.521 3.837 50 0 IHAARN Cc1ccccc1OCCSc1nnc(Cc2c(C)nc3c(C)cccn3c2=O)n1C ZINC000015859251 568847254 /nfs/dbraw/zinc/84/72/54/568847254.db2.gz DGXGWPJIBFQKSS-UHFFFAOYSA-N 0 0 435.553 3.510 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nn1 ZINC000015880859 568854433 /nfs/dbraw/zinc/85/44/33/568854433.db2.gz BKHOXLVEOVRSHR-UHFFFAOYSA-N 0 0 446.326 3.952 50 0 IHAARN COc1ccccc1-c1ccc2nnc(SCC(=O)N3CCCc4ccccc43)n2n1 ZINC000015881699 568855880 /nfs/dbraw/zinc/85/58/80/568855880.db2.gz NTYXTVCBSYCMJI-UHFFFAOYSA-N 0 0 431.521 3.871 50 0 IHAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2nnc(C)s2)cc1=O ZINC000015883859 568858075 /nfs/dbraw/zinc/85/80/75/568858075.db2.gz JNIXUOFTHXSSAO-UHFFFAOYSA-N 0 0 430.555 3.565 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cs1 ZINC000015883850 568858093 /nfs/dbraw/zinc/85/80/93/568858093.db2.gz VIUNHAMTCJEMEK-UHFFFAOYSA-N 0 0 431.539 3.561 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000015933019 568858886 /nfs/dbraw/zinc/85/88/86/568858886.db2.gz SMRZTZUFKIFZAK-UHFFFAOYSA-N 0 0 446.878 3.814 50 0 IHAARN COc1ccc2cc3c(N)nn(C(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)c3nc2c1 ZINC000015974211 568861282 /nfs/dbraw/zinc/86/12/82/568861282.db2.gz JVKFUZJYVJNRHF-VMPITWQZSA-N 0 0 434.452 3.555 50 0 IHAARN O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000016001968 568862260 /nfs/dbraw/zinc/86/22/60/568862260.db2.gz DOIWCWBAYBRXHI-UHFFFAOYSA-N 0 0 441.505 3.552 50 0 IHAARN O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414891 568862485 /nfs/dbraw/zinc/86/24/85/568862485.db2.gz OYLPCSFVYCOKFA-FQEVSTJZSA-N 0 0 432.517 3.544 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(C)cc(C)c3)co2)s1 ZINC000016047758 568869149 /nfs/dbraw/zinc/86/91/49/568869149.db2.gz ZNZVBIORJOOVLY-UHFFFAOYSA-N 0 0 445.522 3.968 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 ZINC000016047687 568869257 /nfs/dbraw/zinc/86/92/57/568869257.db2.gz SIAVLISTVFDHOF-UHFFFAOYSA-N 0 0 449.554 3.596 50 0 IHAARN NC(=O)Cn1c(-c2cccs2)nn(CN2CCC(CCc3ccccc3)CC2)c1=S ZINC000012944590 568870599 /nfs/dbraw/zinc/87/05/99/568870599.db2.gz DWBHUNKBCKPVKV-UHFFFAOYSA-N 0 0 441.626 3.930 50 0 IHAARN COc1ccc(N(CCC(=O)Nc2cccnc2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000006191310 568876398 /nfs/dbraw/zinc/87/63/98/568876398.db2.gz JASLTQHTJLPVJY-UHFFFAOYSA-N 0 0 445.928 3.968 50 0 IHAARN Cc1nn(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(C)c1-c1ccsc1 ZINC000575612322 568879343 /nfs/dbraw/zinc/87/93/43/568879343.db2.gz AXODUORTUPLIAB-UHFFFAOYSA-N 0 0 439.509 3.655 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c(Cl)cc1Cl ZINC000575613588 568879752 /nfs/dbraw/zinc/87/97/52/568879752.db2.gz UIDDATWZJFAKHA-HXUWFJFHSA-N 0 0 444.380 3.895 50 0 IHAARN COc1ccc(N2CCn3c(SCC(=O)Nc4cc(Cl)ccc4OC)nnc32)cc1 ZINC000009574053 568884157 /nfs/dbraw/zinc/88/41/57/568884157.db2.gz HMYPWAFQUYIVHH-UHFFFAOYSA-N 0 0 445.932 3.831 50 0 IHAARN CCOC(=O)CN(C(=O)COC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 ZINC000010886896 568884542 /nfs/dbraw/zinc/88/45/42/568884542.db2.gz NBURGBPKARFKDT-JLHYYAGUSA-N 0 0 446.297 3.602 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NCc3nn(C4CCCC4)c(=O)c4ccccc34)c2O1 ZINC000090504258 568886516 /nfs/dbraw/zinc/88/65/16/568886516.db2.gz ALPKISNIUSPWJE-UHFFFAOYSA-N 0 0 447.535 3.920 50 0 IHAARN Clc1cc2c(cc1CN=Nc1nc(N3CCCCC3)nc(N3CCCCC3)n1)OCO2 ZINC000016383130 568886531 /nfs/dbraw/zinc/88/65/31/568886531.db2.gz NRVVHLUUTHUHBV-UHFFFAOYSA-N 0 0 443.939 3.680 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccccc5)n[nH]4)CC3)nc2)no1 ZINC000090558858 568887804 /nfs/dbraw/zinc/88/78/04/568887804.db2.gz KWWCKELEBJBYBB-UHFFFAOYSA-N 0 0 443.511 3.608 50 0 IHAARN Cc1ccccc1-c1noc(Cn2cccc2C(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000090591901 568888459 /nfs/dbraw/zinc/88/84/59/568888459.db2.gz OHKYEGKGABIRLZ-UHFFFAOYSA-N 0 0 445.498 3.996 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc21 ZINC000012977207 568891098 /nfs/dbraw/zinc/89/10/98/568891098.db2.gz WLRTYVGWSUEUSA-OAHLLOKOSA-N 0 0 443.573 3.615 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000013135502 568892963 /nfs/dbraw/zinc/89/29/63/568892963.db2.gz YTWAQPGLAZXVOB-FMIVXFBMSA-N 0 0 444.553 3.839 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000064227620 568893995 /nfs/dbraw/zinc/89/39/95/568893995.db2.gz FDSIIYLSNZHBJC-LTJFPGKXSA-N 0 0 441.915 3.628 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012987937 568895260 /nfs/dbraw/zinc/89/52/60/568895260.db2.gz FPRTZRLRTMAGLW-UHFFFAOYSA-N 0 0 425.510 3.542 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012990235 568895341 /nfs/dbraw/zinc/89/53/41/568895341.db2.gz VYKCHQSBSPDPSY-UHFFFAOYSA-N 0 0 449.514 3.977 50 0 IHAARN CC(C)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000012998713 568897766 /nfs/dbraw/zinc/89/77/66/568897766.db2.gz GPMXPDUZMTWNEF-DEOSSOPVSA-N 0 0 432.568 3.685 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc4c(s3)CCC4)C2=O)cc1 ZINC000096398805 568899058 /nfs/dbraw/zinc/89/90/58/568899058.db2.gz HRAFIMLVWMBGIJ-WOJGMQOQSA-N 0 0 428.535 3.712 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000013011866 568901036 /nfs/dbraw/zinc/90/10/36/568901036.db2.gz WBFKHWQZKLHFJP-UHFFFAOYSA-N 0 0 428.554 3.854 50 0 IHAARN CCCNC(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC ZINC000013018364 568901932 /nfs/dbraw/zinc/90/19/32/568901932.db2.gz IISVMEAPHOHHAN-CQSZACIVSA-N 0 0 431.583 3.778 50 0 IHAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)OCCOc4ccccc4)c(=O)c32)C1 ZINC000001785016 568907469 /nfs/dbraw/zinc/90/74/69/568907469.db2.gz JKLCVIQHFZMIMG-HNNXBMFYSA-N 0 0 441.553 3.626 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239339059 568911208 /nfs/dbraw/zinc/91/12/08/568911208.db2.gz LQEIJWJNUWOURT-XAISMOLKSA-N 0 0 448.556 3.524 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC2 ZINC000245255488 568913729 /nfs/dbraw/zinc/91/37/29/568913729.db2.gz ITNDKFHGMQYHEW-QAQDUYKDSA-N 0 0 432.561 3.920 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000245257069 568914217 /nfs/dbraw/zinc/91/42/17/568914217.db2.gz WICAFJARVFFQNN-SAABIXHNSA-N 0 0 441.553 3.900 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000245309787 568914514 /nfs/dbraw/zinc/91/45/14/568914514.db2.gz GJZVOTCXZHCVEC-UAFMIMERSA-N 0 0 426.394 3.810 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3OC)cc2)cc1 ZINC000089365293 568921283 /nfs/dbraw/zinc/92/12/83/568921283.db2.gz QTMZTSACZUTUDF-UHFFFAOYSA-N 0 0 427.478 3.748 50 0 IHAARN COc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@H]1O ZINC000089420778 568924363 /nfs/dbraw/zinc/92/43/63/568924363.db2.gz PPHHIPAERXJIBA-IINYFYTJSA-N 0 0 437.705 3.624 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000001115949 568924560 /nfs/dbraw/zinc/92/45/60/568924560.db2.gz SFKJKNKTPACGPW-UHFFFAOYSA-N 0 0 434.492 3.937 50 0 biogenic IHAARN COC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CCCC2 ZINC000000729798 568924623 /nfs/dbraw/zinc/92/46/23/568924623.db2.gz XKRUGOZTCXPZTP-UHFFFAOYSA-N 0 0 427.478 3.846 50 0 biogenic IHAARN COc1cc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc(OC)c1OC ZINC000001148974 568924743 /nfs/dbraw/zinc/92/47/43/568924743.db2.gz QNNMRNJQKZRRPT-HNNXBMFYSA-N 0 0 433.464 3.667 50 0 biogenic IHAARN COc1ccc(CCNC(=O)COc2c(=O)c3ccccc3oc2-c2ccco2)cc1OC ZINC000001994431 568924831 /nfs/dbraw/zinc/92/48/31/568924831.db2.gz JTOIJKGNVLTFKB-UHFFFAOYSA-N 0 0 449.459 3.808 50 0 IHAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)NCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000016611178 568925756 /nfs/dbraw/zinc/92/57/56/568925756.db2.gz BTTYNRPWWJAGCW-HXUWFJFHSA-N 0 0 438.553 3.706 50 0 IHAARN COc1cccc(CNC(=O)CSc2nc3ccccc3c3nc(-c4ccco4)nn32)c1 ZINC000089470048 568926569 /nfs/dbraw/zinc/92/65/69/568926569.db2.gz ZBOKEWMJAYORAM-UHFFFAOYSA-N 0 0 445.504 3.955 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(=O)NC(C)C)c(=O)c12 ZINC000064439302 568928244 /nfs/dbraw/zinc/92/82/44/568928244.db2.gz CTNIVTFKRKRYBX-UHFFFAOYSA-N 0 0 443.916 3.661 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 ZINC000064439126 568928448 /nfs/dbraw/zinc/92/84/48/568928448.db2.gz ZGIGMJKVJCSPAT-UHFFFAOYSA-N 0 0 435.509 3.542 50 0 IHAARN COc1cccc(CNC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000064473109 568930409 /nfs/dbraw/zinc/93/04/09/568930409.db2.gz KMGFSLIBRPUQRE-UHFFFAOYSA-N 0 0 433.487 3.667 50 0 IHAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000006547751 568930951 /nfs/dbraw/zinc/93/09/51/568930951.db2.gz XADRACODGWZAHS-PMACEKPBSA-N 0 0 445.560 3.698 50 0 IHAARN CCCCn1c2nc(-c3ccc(OCC(C)C)c(OCC)c3)n(CC)c2c(=O)[nH]c1=O ZINC000006567060 568931736 /nfs/dbraw/zinc/93/17/36/568931736.db2.gz JTMQJBBYUIMAOR-UHFFFAOYSA-N 0 0 428.533 3.807 50 0 IHAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1S(=O)(=O)c1ccccc1 ZINC000064558112 568932037 /nfs/dbraw/zinc/93/20/37/568932037.db2.gz BJRBPZDJDRTOMI-OAQYLSRUSA-N 0 0 449.484 3.742 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(F)c2)CC3)cc1 ZINC000064566024 568932795 /nfs/dbraw/zinc/93/27/95/568932795.db2.gz JJHWBSKLSYEZGJ-UHFFFAOYSA-N 0 0 443.544 3.640 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)CCc1ccccc1)C2 ZINC000064566161 568932999 /nfs/dbraw/zinc/93/29/99/568932999.db2.gz ANFHVPBZQCDAEZ-UHFFFAOYSA-N 0 0 431.471 3.794 50 0 IHAARN Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3ccccc3C)CC4)o2)cc1 ZINC000064566614 568933594 /nfs/dbraw/zinc/93/35/94/568933594.db2.gz CEBYFEJTBCPVPO-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN COc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)O2)c1OC(C)=O ZINC000064567822 568933886 /nfs/dbraw/zinc/93/38/86/568933886.db2.gz OPDBPTJHLSHUQD-IBGZPJMESA-N 0 0 433.258 3.622 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O ZINC000006600201 568935649 /nfs/dbraw/zinc/93/56/49/568935649.db2.gz GCHWFCCIKAHYIZ-UHFFFAOYSA-N 0 0 439.537 3.757 50 0 IHAARN COc1ccc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)cc1 ZINC000064593259 568935756 /nfs/dbraw/zinc/93/57/56/568935756.db2.gz HFWMWMURKIAJRS-UHFFFAOYSA-N 0 0 434.521 3.789 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1C ZINC000064593557 568935841 /nfs/dbraw/zinc/93/58/41/568935841.db2.gz PTPUMUSZLUMSNO-UHFFFAOYSA-N 0 0 433.537 3.845 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)Nc4cc(C)cc(C)c4)nnc3c2=O)cc1 ZINC000064593943 568936172 /nfs/dbraw/zinc/93/61/72/568936172.db2.gz VKUJEFMOGRFMRO-UHFFFAOYSA-N 0 0 449.536 3.627 50 0 IHAARN Cc1nc(Cl)ccc1C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000089536885 568936726 /nfs/dbraw/zinc/93/67/26/568936726.db2.gz DOUAHBHWDAHYEI-KRWDZBQOSA-N 0 0 427.854 3.866 50 0 IHAARN C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccccc1 ZINC000089573973 568937951 /nfs/dbraw/zinc/93/79/51/568937951.db2.gz PQWNJZYJSCDBCV-AWEZNQCLSA-N 0 0 430.507 3.733 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689888 568938371 /nfs/dbraw/zinc/93/83/71/568938371.db2.gz ORHNUUUEJBLSCN-UHFFFAOYSA-N 0 0 444.377 3.582 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000016690084 568938597 /nfs/dbraw/zinc/93/85/97/568938597.db2.gz PROBWPJLHIIKBT-SFHVURJKSA-N 0 0 428.558 3.732 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c(Cl)cc1O2 ZINC000064604722 568938918 /nfs/dbraw/zinc/93/89/18/568938918.db2.gz ZZXUACKFTXPPJL-STQMWFEESA-N 0 0 436.917 3.804 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000064605082 568939058 /nfs/dbraw/zinc/93/90/58/568939058.db2.gz OUMPKGYNBAYOJJ-UHFFFAOYSA-N 0 0 428.851 3.690 50 0 IHAARN CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000064605066 568939071 /nfs/dbraw/zinc/93/90/71/568939071.db2.gz VQSCETZOBPPEKJ-UHFFFAOYSA-N 0 0 428.851 3.690 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)cc1 ZINC000064605296 568939430 /nfs/dbraw/zinc/93/94/30/568939430.db2.gz AINMJTRWDJBWKT-UHFFFAOYSA-N 0 0 440.450 3.730 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cc(C)ccc2C)o1 ZINC000064666447 568942723 /nfs/dbraw/zinc/94/27/23/568942723.db2.gz WPGKJXNGKFJMDB-QFIPXVFZSA-N 0 0 438.549 3.637 50 0 IHAARN Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000064758996 568951764 /nfs/dbraw/zinc/95/17/64/568951764.db2.gz HUDOWIXHPOWHRP-UHFFFAOYSA-N 0 0 440.551 3.856 50 0 IHAARN COCCCNc1c(-c2ccc(C)cc2)nc2sc(C(=O)N3CCOCC3)c(C)n21 ZINC000064761221 568952299 /nfs/dbraw/zinc/95/22/99/568952299.db2.gz BOHVGASXWCOPQT-UHFFFAOYSA-N 0 0 428.558 3.600 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CC1)C1CC1 ZINC000036117880 568955934 /nfs/dbraw/zinc/95/59/34/568955934.db2.gz JGFQFCXMQIBYMU-LJQANCHMSA-N 0 0 440.565 3.663 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)COC ZINC000036118823 568956078 /nfs/dbraw/zinc/95/60/78/568956078.db2.gz BZDCMPBKEPFNLI-FQEVSTJZSA-N 0 0 444.597 3.755 50 0 IHAARN Cc1cccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000064788141 568956646 /nfs/dbraw/zinc/95/66/46/568956646.db2.gz NJLWWVSHLKEACC-QHCPKHFHSA-N 0 0 429.520 3.869 50 0 IHAARN CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)CC1 ZINC000064789537 568956836 /nfs/dbraw/zinc/95/68/36/568956836.db2.gz UAGZJTNXYZAVQS-MRXNPFEDSA-N 0 0 428.920 3.630 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)COC ZINC000036120432 568957456 /nfs/dbraw/zinc/95/74/56/568957456.db2.gz LSIBWRLBGAJISL-QFBILLFUSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)C ZINC000036123115 568958477 /nfs/dbraw/zinc/95/84/77/568958477.db2.gz PCRAJTLJPUULNY-LJQANCHMSA-N 0 0 433.549 3.832 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036123802 568958680 /nfs/dbraw/zinc/95/86/80/568958680.db2.gz IFZHCJRYKNPKSL-HXUWFJFHSA-N 0 0 445.560 3.834 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCCC2)cc1 ZINC000064793268 568959579 /nfs/dbraw/zinc/95/95/79/568959579.db2.gz XCMAFAOPKKJFAX-QHCPKHFHSA-N 0 0 428.540 3.753 50 0 IHAARN CCCCNC(=O)CN1c2nnnn2[C@@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1 ZINC000064793472 568959724 /nfs/dbraw/zinc/95/97/24/568959724.db2.gz LTYONFBNPWYNMT-HXUWFJFHSA-N 0 0 440.910 3.832 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c1 ZINC000064799947 568961216 /nfs/dbraw/zinc/96/12/16/568961216.db2.gz VPIHOPDCSNZMEV-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN COc1cccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146494 568962715 /nfs/dbraw/zinc/96/27/15/568962715.db2.gz JPJKNEIDNDKGRE-GGAORHGYSA-N 0 0 426.557 3.866 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000006727220 568965874 /nfs/dbraw/zinc/96/58/74/568965874.db2.gz YZMQMEOJQKQASH-UHFFFAOYSA-N 0 0 428.620 3.525 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c(OC)c1 ZINC000064819104 568966051 /nfs/dbraw/zinc/96/60/51/568966051.db2.gz IUIVXPHLYQJWBS-UHFFFAOYSA-N 0 0 446.429 3.628 50 0 IHAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccccc1 ZINC000036158627 568966773 /nfs/dbraw/zinc/96/67/73/568966773.db2.gz ZSJFQEVALGRBHX-SFHVURJKSA-N 0 0 441.597 3.653 50 0 IHAARN O=C(NCCc1ccccc1Cl)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000064839189 568969468 /nfs/dbraw/zinc/96/94/68/568969468.db2.gz ZGNSBBAUSJRIEJ-UHFFFAOYSA-N 0 0 436.943 3.737 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000064838544 568970038 /nfs/dbraw/zinc/97/00/38/568970038.db2.gz WYCZPNCBZJQZPL-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN CN(CCc1noc(COc2ccccc2)n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000064841562 568970419 /nfs/dbraw/zinc/97/04/19/568970419.db2.gz IVOVZXIWHZPYIY-UHFFFAOYSA-N 0 0 429.542 3.809 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)c(C)c1 ZINC000064841860 568970439 /nfs/dbraw/zinc/97/04/39/568970439.db2.gz LKOXPDRCGBEULK-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc1 ZINC000064841945 568970602 /nfs/dbraw/zinc/97/06/02/568970602.db2.gz SCSJWAPSGNQTDY-UHFFFAOYSA-N 0 0 433.505 3.774 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2Cc1ccccc1 ZINC000064859540 568972425 /nfs/dbraw/zinc/97/24/25/568972425.db2.gz ITODQOSDKLBUMX-UHFFFAOYSA-N 0 0 427.504 3.734 50 0 biogenic IHAARN CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036206519 568973153 /nfs/dbraw/zinc/97/31/53/568973153.db2.gz HFLPQRZPKPFWJN-QGZVFWFLSA-N 0 0 429.586 3.876 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036209475 568973682 /nfs/dbraw/zinc/97/36/82/568973682.db2.gz TTXXFHMBHNMSGU-UTKZUKDTSA-N 0 0 441.597 3.622 50 0 IHAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862138 568973826 /nfs/dbraw/zinc/97/38/26/568973826.db2.gz NSUVORIAAYMHGB-UHFFFAOYSA-N 0 0 427.570 3.878 50 0 IHAARN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862257 568974181 /nfs/dbraw/zinc/97/41/81/568974181.db2.gz RIVSNRMVHPYGNA-UHFFFAOYSA-N 0 0 443.569 3.579 50 0 IHAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1 ZINC000064866158 568974259 /nfs/dbraw/zinc/97/42/59/568974259.db2.gz FDZOVKWQANWQEI-UHFFFAOYSA-N 0 0 426.494 3.964 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210029 568974482 /nfs/dbraw/zinc/97/44/82/568974482.db2.gz ZYXVULJWJNNXHM-KKSFZXQISA-N 0 0 435.996 3.638 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccc(C)cc1 ZINC000064866810 568974813 /nfs/dbraw/zinc/97/48/13/568974813.db2.gz RZTQABDDDBDVRM-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036212330 568976151 /nfs/dbraw/zinc/97/61/51/568976151.db2.gz CXDAGROAFRRLPC-OAQYLSRUSA-N 0 0 441.597 3.576 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036213093 568976796 /nfs/dbraw/zinc/97/67/96/568976796.db2.gz GDLJJZWUIYCYDN-LAUBAEHRSA-N 0 0 441.597 3.622 50 0 IHAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000036235564 568979178 /nfs/dbraw/zinc/97/91/78/568979178.db2.gz FRDCLVRENDHFQJ-UHFFFAOYSA-N 0 0 444.583 3.985 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000064888201 568979428 /nfs/dbraw/zinc/97/94/28/568979428.db2.gz BZNHRFWEPXWJGE-UHFFFAOYSA-N 0 0 437.521 3.699 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N[C@H]3CCCc4ccccc43)n2)cc1C ZINC000064891954 568982870 /nfs/dbraw/zinc/98/28/70/568982870.db2.gz OFRRDJQYQKUOAE-QFIPXVFZSA-N 0 0 444.535 3.696 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000036250415 568983715 /nfs/dbraw/zinc/98/37/15/568983715.db2.gz ZRHNRPPDOIXQBH-VWLOTQADSA-N 0 0 425.617 3.581 50 0 IHAARN CCN(CC)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036250181 568983752 /nfs/dbraw/zinc/98/37/52/568983752.db2.gz CWPDDVAYTFPZQG-HXUWFJFHSA-N 0 0 439.522 3.890 50 0 IHAARN Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000036255305 568985072 /nfs/dbraw/zinc/98/50/72/568985072.db2.gz YCBJZMLLOYTYGO-SANMLTNESA-N 0 0 433.596 3.557 50 0 IHAARN CCc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4ccc(CC)cc4)n3)CC2)cc1 ZINC000064927361 568987099 /nfs/dbraw/zinc/98/70/99/568987099.db2.gz ABHBGJKDMOJENQ-UHFFFAOYSA-N 0 0 444.579 3.890 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4C)CC3)ccc2=O)cc1 ZINC000064927354 568987101 /nfs/dbraw/zinc/98/71/01/568987101.db2.gz ZPPNDENBAITKLH-UHFFFAOYSA-N 0 0 430.552 3.636 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000064928800 568987813 /nfs/dbraw/zinc/98/78/13/568987813.db2.gz CRHZWTPBDCXQGU-IBGZPJMESA-N 0 0 436.943 3.727 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064929936 568988238 /nfs/dbraw/zinc/98/82/38/568988238.db2.gz ALDVUPPZHVFFAF-GOSISDBHSA-N 0 0 440.500 3.980 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929893 568988322 /nfs/dbraw/zinc/98/83/22/568988322.db2.gz WSNWLEYYDIOCTO-QGZVFWFLSA-N 0 0 428.464 3.975 50 0 IHAARN Cc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064930268 568988689 /nfs/dbraw/zinc/98/86/89/568988689.db2.gz SEZVZFDLPBSXBF-MRXNPFEDSA-N 0 0 436.493 3.805 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NCc2ccco2)s1 ZINC000064930874 568989228 /nfs/dbraw/zinc/98/92/28/568989228.db2.gz FQBHGAZKXFBQDC-OAHLLOKOSA-N 0 0 433.440 3.708 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3)s2)cc1C ZINC000064940950 568989375 /nfs/dbraw/zinc/98/93/75/568989375.db2.gz MBFSSPXAYNCDPU-SFHVURJKSA-N 0 0 442.566 3.933 50 0 IHAARN O=C(NCc1ccccc1F)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681107 568991483 /nfs/dbraw/zinc/99/14/83/568991483.db2.gz OXZYKYKXQFMFGC-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681143 568991692 /nfs/dbraw/zinc/99/16/92/568991692.db2.gz OQTVIROARRTCRI-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN COc1cccc(Cn2c3cc(C(=O)NCc4cccs4)ccc3n3nccc3c2=O)c1 ZINC000169681134 568991759 /nfs/dbraw/zinc/99/17/59/568991759.db2.gz YLUQHEOUVCPSDT-UHFFFAOYSA-N 0 0 444.516 3.698 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)o1 ZINC000169681142 568991793 /nfs/dbraw/zinc/99/17/93/568991793.db2.gz XVUHOBFMELIVSB-UHFFFAOYSA-N 0 0 430.439 3.668 50 0 IHAARN COc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cn2)cc1 ZINC000064942621 568992212 /nfs/dbraw/zinc/99/22/12/568992212.db2.gz DOCNCDBGWFPHGV-UHFFFAOYSA-N 0 0 432.885 3.837 50 0 IHAARN CCOc1ccccc1Cn1c2nn(Cc3ccc(C)cc3)c(=O)n2c2ccsc2c1=O ZINC000064946604 568993621 /nfs/dbraw/zinc/99/36/21/568993621.db2.gz QGEMFZREUXKCDM-UHFFFAOYSA-N 0 0 446.532 3.676 50 0 IHAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)C2=O)cc1 ZINC000064950731 568996122 /nfs/dbraw/zinc/99/61/22/568996122.db2.gz AYPKWNKVBWOBHQ-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310388 568996664 /nfs/dbraw/zinc/99/66/64/568996664.db2.gz GKKQSTDIRCISHM-NRFANRHFSA-N 0 0 444.963 3.958 50 0 IHAARN Cc1ccc(NC(=O)N2CCN([C@H](C(=O)N(C)Cc3ccco3)C3CCCC3)CC2)cc1 ZINC000036310943 568996907 /nfs/dbraw/zinc/99/69/07/568996907.db2.gz XZFXPDYEXCIEOS-QHCPKHFHSA-N 0 0 438.572 3.955 50 0 IHAARN CC(C)NC(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000064956984 568999265 /nfs/dbraw/zinc/99/92/65/568999265.db2.gz WRUJZEFAJYSNSZ-UHFFFAOYSA-N 0 0 435.315 3.698 50 0 IHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C)s2)no1 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CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986900 569082472 /nfs/dbraw/zinc/08/24/72/569082472.db2.gz GSLMQVZZDYJCTB-UHFFFAOYSA-N 0 0 440.525 3.866 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987264 569082479 /nfs/dbraw/zinc/08/24/79/569082479.db2.gz QFFHTKRRIQNNPD-UHFFFAOYSA-N 0 0 438.553 3.843 50 0 IHAARN COc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C(C)C)c3ccccc31)OCCCO2 ZINC000064987079 569082544 /nfs/dbraw/zinc/08/25/44/569082544.db2.gz RMVLBBCHGBBMEG-UHFFFAOYSA-N 0 0 436.508 3.966 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O ZINC000064987694 569082664 /nfs/dbraw/zinc/08/26/64/569082664.db2.gz WZJXSFWVHPTRFG-UHFFFAOYSA-N 0 0 444.466 3.727 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000064987704 569082692 /nfs/dbraw/zinc/08/26/92/569082692.db2.gz XQJOQAAEPHUWQY-UHFFFAOYSA-N 0 0 440.503 3.897 50 0 IHAARN COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@@H]2C)cc1 ZINC000064990263 569083238 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COC(=O)c1ccccc1NC(=O)COc1nc(C)nc2onc(-c3ccc(F)cc3)c21 ZINC000065024721 569089678 /nfs/dbraw/zinc/08/96/78/569089678.db2.gz FYYMMXGBDXPGPP-UHFFFAOYSA-N 0 0 436.399 3.536 50 0 IHAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026783 569089951 /nfs/dbraw/zinc/08/99/51/569089951.db2.gz CNIAOHAOVBCBQN-GOSISDBHSA-N 0 0 440.935 3.728 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCC3)n2)c1 ZINC000065024943 569090291 /nfs/dbraw/zinc/09/02/91/569090291.db2.gz DKFHIQANOINGEW-UHFFFAOYSA-N 0 0 432.480 3.923 50 0 IHAARN COc1ccc(OC)c(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)c1 ZINC000065029798 569091136 /nfs/dbraw/zinc/09/11/36/569091136.db2.gz FCDPELVLFPUVAS-UHFFFAOYSA-N 0 0 426.448 3.872 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2cccc(SC)c2)c2cc(OC)c(OC)cc2n1 ZINC000065033487 569091967 /nfs/dbraw/zinc/09/19/67/569091967.db2.gz OPUJMXZDNMCLAW-UHFFFAOYSA-N 0 0 442.493 3.778 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c(=O)c2c1 ZINC000065034767 569092246 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50 0 IHAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(Br)c1 ZINC000169759552 569094036 /nfs/dbraw/zinc/09/40/36/569094036.db2.gz XNQOCQAJZDCWQS-KRWDZBQOSA-N 0 0 429.293 3.987 50 0 IHAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C2=C1C(=O)OC2 ZINC000169758986 569094062 /nfs/dbraw/zinc/09/40/62/569094062.db2.gz GLUZONJNACFPCS-HSZRJFAPSA-N 0 0 449.507 3.526 50 0 IHAARN COc1cccc(CN(C[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)C(C)C)c1 ZINC000006873520 569094865 /nfs/dbraw/zinc/09/48/65/569094865.db2.gz XZKVTEHUHMQJDS-HXUWFJFHSA-N 0 0 426.513 3.890 50 0 IHAARN COc1ccc(CNC(=O)CCc2nc3onc(C)c3c(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000065056669 569094970 /nfs/dbraw/zinc/09/49/70/569094970.db2.gz GLWAJSQJYNALHT-HZPDHXFCSA-N 0 0 437.544 3.666 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000065059600 569096216 /nfs/dbraw/zinc/09/62/16/569096216.db2.gz JQHHPAUVIRHPBU-HSZRJFAPSA-N 0 0 432.561 3.885 50 0 IHAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 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SCCOPEOHSFIWMZ-APWZRJJASA-N 0 0 428.330 3.869 50 0 IHAARN Cc1nc2c3ccccc3nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)n2n1 ZINC000036395245 569098694 /nfs/dbraw/zinc/09/86/94/569098694.db2.gz VDUMPEBCWBNROS-UHFFFAOYSA-N 0 0 433.476 3.528 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075145 569099498 /nfs/dbraw/zinc/09/94/98/569099498.db2.gz GCSDKLURNHYYFA-SANMLTNESA-N 0 0 430.504 3.982 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077503 569100298 /nfs/dbraw/zinc/10/02/98/569100298.db2.gz VMGVBMSVEWMTFB-AWEZNQCLSA-N 0 0 448.566 3.629 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078292 569100540 /nfs/dbraw/zinc/10/05/40/569100540.db2.gz LJBFHJYZIAGNCA-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065077807 569100607 /nfs/dbraw/zinc/10/06/07/569100607.db2.gz OFRZKCBWEQHPPX-CQSZACIVSA-N 0 0 432.567 3.874 50 0 IHAARN Cc1cccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1 ZINC000169775305 569101703 /nfs/dbraw/zinc/10/17/03/569101703.db2.gz PNHAWSLPMUOFNO-UHFFFAOYSA-N 0 0 426.520 3.662 50 0 IHAARN O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778022 569102477 /nfs/dbraw/zinc/10/24/77/569102477.db2.gz RLQCGOJYLNKZDY-GOSISDBHSA-N 0 0 425.452 3.564 50 0 IHAARN O=C(c1cc(F)ccc1Cl)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778015 569102563 /nfs/dbraw/zinc/10/25/63/569102563.db2.gz FQXAKZZFLOUYCA-HNNXBMFYSA-N 0 0 438.850 3.875 50 0 IHAARN O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000169778402 569102611 /nfs/dbraw/zinc/10/26/11/569102611.db2.gz BXRHHVRVSKUQND-UHFFFAOYSA-N 0 0 445.376 3.688 50 0 IHAARN O=C(c1c(F)cccc1F)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169778637 569102749 /nfs/dbraw/zinc/10/27/49/569102749.db2.gz ANQIXRSHSUJIPQ-UHFFFAOYSA-N 0 0 436.422 3.751 50 0 IHAARN O=C(N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)o1 ZINC000169780773 569103151 /nfs/dbraw/zinc/10/31/51/569103151.db2.gz PSPRWQWMRFBOET-AWEZNQCLSA-N 0 0 433.281 3.970 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000169779753 569103329 /nfs/dbraw/zinc/10/33/29/569103329.db2.gz DBARORMTCWTRFP-UHFFFAOYSA-N 0 0 446.429 3.787 50 0 IHAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000065097643 569103947 /nfs/dbraw/zinc/10/39/47/569103947.db2.gz OIARKAOGDXBPLF-UHFFFAOYSA-N 0 0 446.554 3.760 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C ZINC000065100118 569104918 /nfs/dbraw/zinc/10/49/18/569104918.db2.gz SEFCWPOLBYBINN-UHFFFAOYSA-N 0 0 436.497 3.580 50 0 IHAARN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100043 569104979 /nfs/dbraw/zinc/10/49/79/569104979.db2.gz MIVLZKWTGMALHF-UHFFFAOYSA-N 0 0 426.889 3.916 50 0 IHAARN CC1CCC(NC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)CC1 ZINC000006901501 569105673 /nfs/dbraw/zinc/10/56/73/569105673.db2.gz JNOMTHNNGSGJPB-UHFFFAOYSA-N 0 0 431.602 3.901 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CCCC2)c1=O ZINC000065101529 569105851 /nfs/dbraw/zinc/10/58/51/569105851.db2.gz KLRATYFCLWYFCM-UHFFFAOYSA-N 0 0 446.551 3.643 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccccc3)c3ccccc32)cc1OC ZINC000065101793 569105951 /nfs/dbraw/zinc/10/59/51/569105951.db2.gz CCJBDSKZGKPFMQ-UHFFFAOYSA-N 0 0 444.491 3.665 50 0 IHAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036420479 569106406 /nfs/dbraw/zinc/10/64/06/569106406.db2.gz KEGBXCHDKWXVDT-UONOGXRCSA-N 0 0 446.910 3.502 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2F)c1 ZINC000065116128 569107227 /nfs/dbraw/zinc/10/72/27/569107227.db2.gz CMAAOBXQVDBVPL-UHFFFAOYSA-N 0 0 433.461 3.811 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2cccc(OC)c2)c1 ZINC000065116347 569107263 /nfs/dbraw/zinc/10/72/63/569107263.db2.gz KPPRWDCCAZWNPR-UHFFFAOYSA-N 0 0 443.525 3.658 50 0 IHAARN Cc1nc(-c2csc(S(=O)(=O)NCCC(C)C)c2)sc1C(=O)N1CCCC1 ZINC000065116954 569107523 /nfs/dbraw/zinc/10/75/23/569107523.db2.gz JTKDADPTIZCPPU-UHFFFAOYSA-N 0 0 427.617 3.740 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1 ZINC000065112091 569107910 /nfs/dbraw/zinc/10/79/10/569107910.db2.gz RVIZZISUPHDMKM-UHFFFAOYSA-N 0 0 427.501 3.933 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ncn3n2)c(C)c1 ZINC000065112655 569108205 /nfs/dbraw/zinc/10/82/05/569108205.db2.gz FKHNTUPRVDSUGD-UHFFFAOYSA-N 0 0 432.871 3.927 50 0 IHAARN COc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)cc1 ZINC000065112746 569108300 /nfs/dbraw/zinc/10/83/00/569108300.db2.gz KSINIDYCAYLWJM-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2c1=O ZINC000065113544 569108421 /nfs/dbraw/zinc/10/84/21/569108421.db2.gz YSJSOIBQXIDNGT-UHFFFAOYSA-N 0 0 434.471 3.679 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc(C(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000065131183 569109255 /nfs/dbraw/zinc/10/92/55/569109255.db2.gz VJDFCNWGLCZAGI-UHFFFAOYSA-N 0 0 430.505 3.603 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3cc(C)cc(C)c3)nn2)C1 ZINC000065132094 569109745 /nfs/dbraw/zinc/10/97/45/569109745.db2.gz LVGWRKKYGXOTOM-GOSISDBHSA-N 0 0 441.601 3.567 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3ccccc3Cl)nn2)C1 ZINC000065131963 569109757 /nfs/dbraw/zinc/10/97/57/569109757.db2.gz PVURFAMZJKFKQK-OAHLLOKOSA-N 0 0 447.992 3.603 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)C1 ZINC000065132117 569109841 /nfs/dbraw/zinc/10/98/41/569109841.db2.gz VJKLOXQPKKXDDA-OAHLLOKOSA-N 0 0 447.992 3.603 50 0 IHAARN COc1cccc(N2CCN(c3cc(SCC(=O)Nc4cccc(C)c4)ncn3)CC2)c1 ZINC000065133084 569109961 /nfs/dbraw/zinc/10/99/61/569109961.db2.gz OXVSTKBPRSATQZ-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130017 569110260 /nfs/dbraw/zinc/11/02/60/569110260.db2.gz ABPQONFHPVXGPP-UHFFFAOYSA-N 0 0 425.916 3.706 50 0 IHAARN CC(C)n1c(=O)oc2cc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)ccc21 ZINC000065138293 569110502 /nfs/dbraw/zinc/11/05/02/569110502.db2.gz UFYKNDLDRCNAHZ-UHFFFAOYSA-N 0 0 426.860 3.738 50 0 IHAARN CC(=O)Nc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000065150117 569110973 /nfs/dbraw/zinc/11/09/73/569110973.db2.gz KYBRSCBNUNINHG-UHFFFAOYSA-N 0 0 441.944 3.779 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C(C)C)cc4)nccn3c2=O)cc1 ZINC000065150691 569111222 /nfs/dbraw/zinc/11/12/22/569111222.db2.gz BSKHIGDPTLMNBC-UHFFFAOYSA-N 0 0 447.495 3.844 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)[C@H](C(=O)N1CCCC1)C2 ZINC000065166938 569112608 /nfs/dbraw/zinc/11/26/08/569112608.db2.gz IMPMJWZFEBHNNM-NRFANRHFSA-N 0 0 439.943 3.878 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)Cc2cccc(Cl)c2)C3)cc1 ZINC000065169110 569112651 /nfs/dbraw/zinc/11/26/51/569112651.db2.gz VRGXEGIJSIVRKY-UHFFFAOYSA-N 0 0 429.929 3.694 50 0 IHAARN CCn1cc(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)c2cccnc21 ZINC000065164615 569112797 /nfs/dbraw/zinc/11/27/97/569112797.db2.gz PGOBNKLGYXXVLI-UHFFFAOYSA-N 0 0 441.373 3.819 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)c(Cl)c1 ZINC000065171038 569112846 /nfs/dbraw/zinc/11/28/46/569112846.db2.gz DDKODXVYWFXGQG-UHFFFAOYSA-N 0 0 425.901 3.824 50 0 IHAARN Cc1ccc(NC(=O)C2=NN(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)CC2)cc1 ZINC000065197774 569114954 /nfs/dbraw/zinc/11/49/54/569114954.db2.gz JSVIRDUYXRQAQC-UHFFFAOYSA-N 0 0 432.402 3.569 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3c2=O)cc1 ZINC000065196559 569115708 /nfs/dbraw/zinc/11/57/08/569115708.db2.gz FBUSONAOFBDQMK-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN O=C(N[C@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1ccccc1Br ZINC000065209421 569116110 /nfs/dbraw/zinc/11/61/10/569116110.db2.gz DZMJMPVDEYFCHX-KRWDZBQOSA-N 0 0 427.302 3.952 50 0 IHAARN COc1cccc(CN2CCc3c(cc(C(=O)Nc4cc(OC)cc(OC)c4)n3C)C2)c1 ZINC000065210982 569116358 /nfs/dbraw/zinc/11/63/58/569116358.db2.gz GBSAEBLDKJRVGL-UHFFFAOYSA-N 0 0 435.524 3.862 50 0 IHAARN COc1ccc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)cc1OC ZINC000065220472 569117265 /nfs/dbraw/zinc/11/72/65/569117265.db2.gz REZNGOPLGNYHLU-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN CCn1nc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c2ccccc21 ZINC000065219546 569117305 /nfs/dbraw/zinc/11/73/05/569117305.db2.gz ASWLFPXACYSYRF-UHFFFAOYSA-N 0 0 433.533 3.960 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000007001677 569117496 /nfs/dbraw/zinc/11/74/96/569117496.db2.gz KBBOHROMOVEHKE-VOIUYBSRSA-N 0 0 427.545 3.991 50 0 IHAARN CSc1ccc(Cl)c(C(=O)N2CCC(c3cc4n(n3)CCCN(C)C4=O)CC2)c1 ZINC000065225733 569117911 /nfs/dbraw/zinc/11/79/11/569117911.db2.gz CQQWPNWSLDXEEI-UHFFFAOYSA-N 0 0 432.977 3.754 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(SC)cc4)CC3)o2)cc1 ZINC000065229802 569118243 /nfs/dbraw/zinc/11/82/43/569118243.db2.gz ZQCRSPLYTREZDI-UHFFFAOYSA-N 0 0 438.553 4.000 50 0 IHAARN CN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2C1=O ZINC000065241532 569118745 /nfs/dbraw/zinc/11/87/45/569118745.db2.gz VZQZXLKNCNUGIP-UHFFFAOYSA-N 0 0 429.885 3.596 50 0 IHAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3cccs3)cc2C1=O ZINC000065241630 569118902 /nfs/dbraw/zinc/11/89/02/569118902.db2.gz UJZULHUETAQYCE-UHFFFAOYSA-N 0 0 429.523 3.784 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O ZINC000065232485 569119112 /nfs/dbraw/zinc/11/91/12/569119112.db2.gz LIDHVMKSVMOIBW-UHFFFAOYSA-N 0 0 432.505 3.990 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)cc1OC ZINC000065235703 569119234 /nfs/dbraw/zinc/11/92/34/569119234.db2.gz ZYKVGDPFDRDMHN-INIZCTEOSA-N 0 0 429.476 3.894 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)CCCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239207 569120129 /nfs/dbraw/zinc/12/01/29/569120129.db2.gz JYGSLCUNVSNBND-KRWDZBQOSA-N 0 0 431.602 3.875 50 0 IHAARN C=C1C(N2CCCN(C(=O)C[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239278 569120356 /nfs/dbraw/zinc/12/03/56/569120356.db2.gz XJFLRWDFFIYUHX-HNNXBMFYSA-N 0 0 437.993 3.783 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)cc1 ZINC000065240790 569120892 /nfs/dbraw/zinc/12/08/92/569120892.db2.gz HZUQIPMPVWYJON-UHFFFAOYSA-N 0 0 435.553 3.743 50 0 IHAARN O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)o1)N1CCN(c2ccccc2F)CC1 ZINC000065246470 569121791 /nfs/dbraw/zinc/12/17/91/569121791.db2.gz RGVSMIAENJVPJA-UHFFFAOYSA-N 0 0 446.504 3.637 50 0 IHAARN Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000065254274 569122568 /nfs/dbraw/zinc/12/25/68/569122568.db2.gz GITLYKQANHOCRB-UHFFFAOYSA-N 0 0 428.496 3.948 50 0 IHAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c12 ZINC000036616887 569122830 /nfs/dbraw/zinc/12/28/30/569122830.db2.gz SPWHNFVNEYCVGA-UHFFFAOYSA-N 0 0 425.920 3.896 50 0 IHAARN COc1cccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c2)c1 ZINC000036611082 569123450 /nfs/dbraw/zinc/12/34/50/569123450.db2.gz PNPNZOFYWCTZMI-FQEVSTJZSA-N 0 0 426.366 3.695 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3c(C)noc3n2)cc1 ZINC000036613850 569123953 /nfs/dbraw/zinc/12/39/53/569123953.db2.gz XISCIXLGVHUXAD-UHFFFAOYSA-N 0 0 443.507 3.560 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)c(OC)n1 ZINC000065260043 569125006 /nfs/dbraw/zinc/12/50/06/569125006.db2.gz PZZJIECVRZOMLB-DEOSSOPVSA-N 0 0 437.544 3.617 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC000013129404 569125229 /nfs/dbraw/zinc/12/52/29/569125229.db2.gz YPBPWPPEAWOCPY-QFIPXVFZSA-N 0 0 425.506 3.967 50 0 IHAARN COc1cc([C@H](CC(=O)NCCC2=CCCCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729716 569125803 /nfs/dbraw/zinc/12/58/03/569125803.db2.gz GGQSWJGCEZKDKF-SFHVURJKSA-N 0 0 427.497 3.897 50 0 biogenic IHAARN COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2OC)cc1 ZINC000524729799 569125954 /nfs/dbraw/zinc/12/59/54/569125954.db2.gz JQWOOKXVLUIFEZ-FQEVSTJZSA-N 0 0 449.503 3.773 50 0 biogenic IHAARN Cc1ccc(OC(F)F)c(NC(=O)CCn2c3nn(C)cc3c(C(F)F)cc2=O)c1 ZINC000036621409 569126198 /nfs/dbraw/zinc/12/61/98/569126198.db2.gz FJZCEWFVPHLANP-UHFFFAOYSA-N 0 0 426.370 3.611 50 0 IHAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCSc1ccccc1 ZINC000524732335 569126849 /nfs/dbraw/zinc/12/68/49/569126849.db2.gz MYJAQEGVCJPMKA-QHCPKHFHSA-N 0 0 443.528 3.710 50 0 IHAARN CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)c(OC)c3)CC2)ncn1 ZINC000065274249 569128373 /nfs/dbraw/zinc/12/83/73/569128373.db2.gz UBCPGAPZLUKZJN-UHFFFAOYSA-N 0 0 427.549 3.951 50 0 IHAARN C=C1C(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271820 569128626 /nfs/dbraw/zinc/12/86/26/569128626.db2.gz QUHFKDNHZPPMTE-UHFFFAOYSA-N 0 0 442.516 3.585 50 0 IHAARN C=C1C(N2CCCN(C(=O)NC3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271933 569128847 /nfs/dbraw/zinc/12/88/47/569128847.db2.gz XSRKMIULVGPGBI-UHFFFAOYSA-N 0 0 444.601 3.518 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC3)CC1 ZINC000065273319 569129406 /nfs/dbraw/zinc/12/94/06/569129406.db2.gz VCFCSVCBPJEDER-HNNXBMFYSA-N 0 0 432.977 3.517 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273585 569129763 /nfs/dbraw/zinc/12/97/63/569129763.db2.gz IJDLTKASCCAONL-SFHVURJKSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)ccc1F ZINC000065273665 569130028 /nfs/dbraw/zinc/13/00/28/569130028.db2.gz IZJRMLMTTKZNNW-INIZCTEOSA-N 0 0 444.576 3.639 50 0 IHAARN COc1ccc(NC(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)c(OC)c1 ZINC000065283401 569130160 /nfs/dbraw/zinc/13/01/60/569130160.db2.gz XFOZICRNCPLDKK-UHFFFAOYSA-N 0 0 430.555 3.822 50 0 IHAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000065295308 569131386 /nfs/dbraw/zinc/13/13/86/569131386.db2.gz LKHKPCLLJJJAMX-UHFFFAOYSA-N 0 0 432.450 3.542 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)sc12 ZINC000065297241 569131711 /nfs/dbraw/zinc/13/17/11/569131711.db2.gz OPXYFHIDHRCPFI-GOSISDBHSA-N 0 0 447.564 3.907 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cc3c4[nH]cccc-4c(=O)n3-c3ccccc3)CC2)c1 ZINC000065307541 569132390 /nfs/dbraw/zinc/13/23/90/569132390.db2.gz QIJVEPQJAKDBJI-HSZRJFAPSA-N 0 0 442.519 3.531 50 0 IHAARN Cc1ccc(CC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)cc1 ZINC000065315614 569134266 /nfs/dbraw/zinc/13/42/66/569134266.db2.gz XELKGZLKQHVEOB-UHFFFAOYSA-N 0 0 430.552 3.827 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccccc4)s3)C2)cc1 ZINC000036705274 569134411 /nfs/dbraw/zinc/13/44/11/569134411.db2.gz FQWWEAIQDMUZQG-KRWDZBQOSA-N 0 0 429.567 3.706 50 0 IHAARN CCCn1c(SCC(=O)NC2CCCCC2)nc2nc(N3CCCCC3)sc2c1=O ZINC000065319524 569134888 /nfs/dbraw/zinc/13/48/88/569134888.db2.gz WAALTLSPYCPNEB-UHFFFAOYSA-N 0 0 449.646 3.794 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000065315114 569135734 /nfs/dbraw/zinc/13/57/34/569135734.db2.gz OURHARORJMUSEG-UHFFFAOYSA-N 0 0 437.512 3.886 50 0 IHAARN O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)cc1F ZINC000065315236 569135810 /nfs/dbraw/zinc/13/58/10/569135810.db2.gz CGDWQDMNRDRVSB-UHFFFAOYSA-N 0 0 441.475 3.716 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000065319872 569136010 /nfs/dbraw/zinc/13/60/10/569136010.db2.gz DPIOSPASJMDUIS-UHFFFAOYSA-N 0 0 443.598 3.821 50 0 IHAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)NC1CCCCC1 ZINC000065320010 569136050 /nfs/dbraw/zinc/13/60/50/569136050.db2.gz MARWQELHRTWWEO-UHFFFAOYSA-N 0 0 435.619 3.575 50 0 IHAARN COc1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1 ZINC000065320221 569136052 /nfs/dbraw/zinc/13/60/52/569136052.db2.gz XUOGMRQZMZYOQD-UHFFFAOYSA-N 0 0 442.523 3.779 50 0 IHAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000065322399 569136617 /nfs/dbraw/zinc/13/66/17/569136617.db2.gz FTMDUDXJQYUDBK-UHFFFAOYSA-N 0 0 442.947 3.949 50 0 IHAARN CN(C(=O)CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 ZINC000036712362 569137338 /nfs/dbraw/zinc/13/73/38/569137338.db2.gz POXJBPVZNREAMA-UHFFFAOYSA-N 0 0 439.928 3.576 50 0 IHAARN CCN(CC)c1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cn1 ZINC000065567333 569139791 /nfs/dbraw/zinc/13/97/91/569139791.db2.gz DQXHNHNUDIPRFW-INIZCTEOSA-N 0 0 426.439 3.508 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@](C)=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000170591798 569141057 /nfs/dbraw/zinc/14/10/57/569141057.db2.gz SSAMRVVGGPHPRE-MODXFSQWSA-N 0 0 449.576 3.975 50 0 IHAARN COC(=O)c1cccc(C(C)(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000170596298 569141895 /nfs/dbraw/zinc/14/18/95/569141895.db2.gz IGPAMCGJORJYCH-UHFFFAOYSA-N 0 0 448.541 3.709 50 0 IHAARN COc1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)cc(Cl)c1OCC(N)=O ZINC000170596152 569141896 /nfs/dbraw/zinc/14/18/96/569141896.db2.gz JYBAEWKGBUISNJ-HRAATJIYSA-N 0 0 430.932 3.902 50 0 IHAARN Cc1ccc(-c2noc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2)cc1F ZINC000170602348 569143316 /nfs/dbraw/zinc/14/33/16/569143316.db2.gz LUSIMVBIPUTVQS-OAHLLOKOSA-N 0 0 432.496 3.585 50 0 IHAARN O=C(OCc1cccnc1Cl)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000170611264 569145135 /nfs/dbraw/zinc/14/51/35/569145135.db2.gz NUXUDTLISZXGHL-UHFFFAOYSA-N 0 0 427.869 3.653 50 0 IHAARN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000170611809 569145165 /nfs/dbraw/zinc/14/51/65/569145165.db2.gz WOEBTMWJOOJHBW-ABAIWWIYSA-N 0 0 431.539 3.730 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc2cc(Br)cnc2[nH]1 ZINC000170629751 569148850 /nfs/dbraw/zinc/14/88/50/569148850.db2.gz AWKQRTDEYKLINP-NWDGAFQWSA-N 0 0 437.338 3.609 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)CC1 ZINC000009882074 569149556 /nfs/dbraw/zinc/14/95/56/569149556.db2.gz YCRDKZGINTXNNQ-UHFFFAOYSA-N 0 0 439.541 3.601 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009884057 569150251 /nfs/dbraw/zinc/15/02/51/569150251.db2.gz FZBIVUCLFPDITE-LJQANCHMSA-N 0 0 433.851 3.907 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)cn3C)CC2)c(C)c1 ZINC000071287828 569150884 /nfs/dbraw/zinc/15/08/84/569150884.db2.gz SPYYNPGQNXIHOB-UHFFFAOYSA-N 0 0 431.536 3.544 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000010220662 569152946 /nfs/dbraw/zinc/15/29/46/569152946.db2.gz WRDRATGSQAWFMG-UHFFFAOYSA-N 0 0 431.539 3.688 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CSC3)cc1 ZINC000010220897 569153037 /nfs/dbraw/zinc/15/30/37/569153037.db2.gz FAAGPBVLLOIQSN-UHFFFAOYSA-N 0 0 426.542 3.573 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000010218916 569153596 /nfs/dbraw/zinc/15/35/96/569153596.db2.gz UBUGJOKYHJJDQA-UHFFFAOYSA-N 0 0 448.497 3.871 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000010219465 569153726 /nfs/dbraw/zinc/15/37/26/569153726.db2.gz BURMRQXQEYQSEP-UHFFFAOYSA-N 0 0 432.523 3.630 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2nnc(C)s2)cc1=O ZINC000010254734 569154220 /nfs/dbraw/zinc/15/42/20/569154220.db2.gz SKOBQCCUMOOYEO-UHFFFAOYSA-N 0 0 430.555 3.565 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1 ZINC000071794098 569154310 /nfs/dbraw/zinc/15/43/10/569154310.db2.gz ZJGFJJRUBCKMMC-UNMCSNQZSA-N 0 0 435.528 3.614 50 0 IHAARN O=C(NCc1nnc2n1CCC2)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000071823359 569154687 /nfs/dbraw/zinc/15/46/87/569154687.db2.gz DZIJCIHLGDKZTF-UHFFFAOYSA-N 0 0 431.265 3.848 50 0 IHAARN COC(=O)c1cc(C)sc1NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000013324909 569155000 /nfs/dbraw/zinc/15/50/00/569155000.db2.gz SUQAFMDZCFXSOB-UHFFFAOYSA-N 0 0 437.949 3.855 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013801153 569157141 /nfs/dbraw/zinc/15/71/41/569157141.db2.gz UYGOBXFGAHHFEN-UHFFFAOYSA-N 0 0 445.441 3.823 50 0 IHAARN O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2 ZINC000013801750 569157193 /nfs/dbraw/zinc/15/71/93/569157193.db2.gz LAAZHVCQKAXBIV-UHFFFAOYSA-N 0 0 426.860 3.504 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1F ZINC000013850451 569157260 /nfs/dbraw/zinc/15/72/60/569157260.db2.gz JFLIRDZIPAKOGW-UHFFFAOYSA-N 0 0 448.541 3.946 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)N(C)CC(=O)NCc3ccco3)c2oc1-c1ccccc1 ZINC000014049856 569157612 /nfs/dbraw/zinc/15/76/12/569157612.db2.gz QUECCZSEVKGFAT-UHFFFAOYSA-N 0 0 430.460 3.750 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000014404775 569159007 /nfs/dbraw/zinc/15/90/07/569159007.db2.gz AXGABAZLMSIZQD-QHCPKHFHSA-N 0 0 437.471 3.589 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014629454 569159607 /nfs/dbraw/zinc/15/96/07/569159607.db2.gz LKGRNVPXQWWWNS-UHFFFAOYSA-N 0 0 430.533 3.965 50 0 IHAARN Cc1ccc(N(C(=O)CCN(C)Cc2ccc(F)cc2F)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000089643211 569160326 /nfs/dbraw/zinc/16/03/26/569160326.db2.gz CCSYAEXELYXIMN-NRFANRHFSA-N 0 0 448.535 3.747 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3C)CC2)c(C)c1 ZINC000089696855 569161354 /nfs/dbraw/zinc/16/13/54/569161354.db2.gz MLYWLKZKQYCCGH-UHFFFAOYSA-N 0 0 432.611 3.545 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000014670756 569161620 /nfs/dbraw/zinc/16/16/20/569161620.db2.gz SSSPCNAXORGBNZ-VWLOTQADSA-N 0 0 442.515 3.948 50 0 IHAARN CCOC(=O)c1c2cc(OC(=O)[C@H]3CCS(=O)(=O)C3)ccc2oc1-c1ccccc1 ZINC000014671049 569161678 /nfs/dbraw/zinc/16/16/78/569161678.db2.gz JQKWZLYLDJNGNO-HNNXBMFYSA-N 0 0 428.462 3.617 50 0 IHAARN O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C(=O)N1CCCSCC1 ZINC000089762087 569162406 /nfs/dbraw/zinc/16/24/06/569162406.db2.gz URJDBSRMETXSST-UHFFFAOYSA-N 0 0 443.697 3.608 50 0 IHAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)ccn2n1 ZINC000016842009 569163349 /nfs/dbraw/zinc/16/33/49/569163349.db2.gz NZDGUWQCNAYERX-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016843836 569163742 /nfs/dbraw/zinc/16/37/42/569163742.db2.gz IMVSVYGAAQZYCX-UHFFFAOYSA-N 0 0 439.468 3.723 50 0 IHAARN Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(-c2nc3ccc(F)cc3s2)n1 ZINC000016851139 569164901 /nfs/dbraw/zinc/16/49/01/569164901.db2.gz YEWZCEXINDXUHM-UHFFFAOYSA-N 0 0 449.467 3.835 50 0 IHAARN COc1cc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1Br ZINC000089904887 569167222 /nfs/dbraw/zinc/16/72/22/569167222.db2.gz VBPGHEUJHAOUGL-SSINHNECSA-N 0 0 426.332 3.695 50 0 IHAARN COc1ccc(CCNC(=O)CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000089920278 569167814 /nfs/dbraw/zinc/16/78/14/569167814.db2.gz PNLVMZQNBSNBDQ-PXNSSMCTSA-N 0 0 444.572 3.631 50 0 IHAARN COc1ccc(CC(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1OC ZINC000016959819 569168055 /nfs/dbraw/zinc/16/80/55/569168055.db2.gz KCGWCTYWMBVXOX-UHFFFAOYSA-N 0 0 440.500 3.516 50 0 IHAARN CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@H](C)O[C@@H](C)C1)C2 ZINC000089936783 569168234 /nfs/dbraw/zinc/16/82/34/569168234.db2.gz FEWQGEUZGBVJLL-IRXDYDNUSA-N 0 0 431.540 3.765 50 0 IHAARN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000014731242 569170467 /nfs/dbraw/zinc/17/04/67/569170467.db2.gz RRPDPFUMCKQYQV-OAQYLSRUSA-N 0 0 444.564 3.546 50 0 IHAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc32)c(C)c1 ZINC000017025808 569170916 /nfs/dbraw/zinc/17/09/16/569170916.db2.gz KXIRDMWHNOJJGR-UHFFFAOYSA-N 0 0 432.524 3.571 50 0 IHAARN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)cc1 ZINC000017155262 569174983 /nfs/dbraw/zinc/17/49/83/569174983.db2.gz MOZVQSPTUWJONT-UHFFFAOYSA-N 0 0 429.299 3.960 50 0 IHAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000017170063 569175398 /nfs/dbraw/zinc/17/53/98/569175398.db2.gz YZNSCAWDLNNFFD-IBGZPJMESA-N 0 0 433.482 3.561 50 0 IHAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000017170066 569175415 /nfs/dbraw/zinc/17/54/15/569175415.db2.gz YZNSCAWDLNNFFD-LJQANCHMSA-N 0 0 433.482 3.561 50 0 IHAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)C(=O)Nc1cc(C)on1 ZINC000017230598 569176113 /nfs/dbraw/zinc/17/61/13/569176113.db2.gz OEPLWWFNMRJVQU-LJQANCHMSA-N 0 0 447.447 3.666 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NCc1ccco1 ZINC000001064122 569176516 /nfs/dbraw/zinc/17/65/16/569176516.db2.gz HIUXJXIXOIEZDI-UHFFFAOYSA-N 0 0 441.534 3.590 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([C@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000001221203 569176857 /nfs/dbraw/zinc/17/68/57/569176857.db2.gz HIQQVVDOGSFVSV-FUCONIRXSA-N 0 0 425.484 3.627 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002869303 569177461 /nfs/dbraw/zinc/17/74/61/569177461.db2.gz CHXVKWVZILPCDQ-MRXNPFEDSA-N 0 0 426.494 3.793 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1)c1ccccc1 ZINC000003105093 569177700 /nfs/dbraw/zinc/17/77/00/569177700.db2.gz WZOLLYHOWOEBTH-HNNXBMFYSA-N 0 0 448.928 3.668 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000006238465 569178314 /nfs/dbraw/zinc/17/83/14/569178314.db2.gz UVFVKMOMHPOSNK-GZTJUZNOSA-N 0 0 442.338 3.915 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O)C(=O)OC ZINC000002090550 569178650 /nfs/dbraw/zinc/17/86/50/569178650.db2.gz SZHWVGDRJNYEGJ-NYHFZMIOSA-N 0 0 439.464 3.668 50 0 biogenic IHAARN CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O)C(=O)OC ZINC000002090548 569178653 /nfs/dbraw/zinc/17/86/53/569178653.db2.gz SZHWVGDRJNYEGJ-QRQCRPRQSA-N 0 0 439.464 3.668 50 0 biogenic IHAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc43)cc2oc1=O ZINC000002094490 569179170 /nfs/dbraw/zinc/17/91/70/569179170.db2.gz QVBMRKZWEISUQY-UHFFFAOYSA-N 0 0 433.460 3.879 50 0 biogenic IHAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCOC(C)C)CC(=O)N32)c1 ZINC000002098070 569179417 /nfs/dbraw/zinc/17/94/17/569179417.db2.gz DBXZDYKMJUYJPN-OZXSUGGESA-N 0 0 445.563 3.976 50 0 biogenic IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2sc(C)c(C)c2c1=O ZINC000002371728 569180821 /nfs/dbraw/zinc/18/08/21/569180821.db2.gz JHGWIUAZGVVQAP-UHFFFAOYSA-N 0 0 433.555 3.843 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002109081 569181684 /nfs/dbraw/zinc/18/16/84/569181684.db2.gz CUWCCCONWHQQCC-UYPAYLBCSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002110705 569181991 /nfs/dbraw/zinc/18/19/91/569181991.db2.gz GLMODHLCNVGQDF-NIYFSFCBSA-N 0 0 433.504 3.992 50 0 biogenic IHAARN CCOC(=O)COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002117912 569182550 /nfs/dbraw/zinc/18/25/50/569182550.db2.gz ZDXMPSDIDSYDBU-UHFFFAOYSA-N 0 0 436.416 3.825 50 0 biogenic IHAARN COc1ccc(Br)c(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c1 ZINC000207997198 569183780 /nfs/dbraw/zinc/18/37/80/569183780.db2.gz HERGWUWIXVCVAU-OAHLLOKOSA-N 0 0 444.285 3.747 50 0 IHAARN CCOc1cc2c(cc1OCC)CN(CN1C(=O)N[C@@]3(C1=O)[C@H](C)CCC[C@@H]3C)CC2 ZINC000252457417 569184282 /nfs/dbraw/zinc/18/42/82/569184282.db2.gz HEPBKGWTGLOXJF-CZKAHXPPSA-N 0 0 429.561 3.546 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252458422 569184406 /nfs/dbraw/zinc/18/44/06/569184406.db2.gz GRIWLCJIIVCHKX-PXNSSMCTSA-N 0 0 435.524 3.749 50 0 IHAARN O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000252489762 569186694 /nfs/dbraw/zinc/18/66/94/569186694.db2.gz JZLAYPYOXBEPPF-VQTJNVASSA-N 0 0 435.455 3.776 50 0 IHAARN O=C(CSc1nc2cc(F)ccc2c2nnnn21)Nc1nc2ccc(Cl)cc2s1 ZINC000252488953 569186784 /nfs/dbraw/zinc/18/67/84/569186784.db2.gz JCOJETHQMFTZQT-UHFFFAOYSA-N 0 0 445.892 3.806 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1c(C)[nH]nc1-c1ccc(OC)cc1 ZINC000252498375 569187961 /nfs/dbraw/zinc/18/79/61/569187961.db2.gz RAOMFCIBPHMMGH-QGZVFWFLSA-N 0 0 447.539 3.810 50 0 IHAARN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)CC1 ZINC000252513182 569189029 /nfs/dbraw/zinc/18/90/29/569189029.db2.gz XWHFAMPRUKSDRK-YPAWHYETSA-N 0 0 447.583 3.535 50 0 IHAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc3cccnc31)C2=O ZINC000170647407 569189310 /nfs/dbraw/zinc/18/93/10/569189310.db2.gz XFASOVMXYUSYLI-MHECFPHRSA-N 0 0 438.528 3.740 50 0 IHAARN COCc1nc(C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000037399072 569194298 /nfs/dbraw/zinc/19/42/98/569194298.db2.gz IKENSLGALIYMRO-UHFFFAOYSA-N 0 0 439.604 3.769 50 0 IHAARN O=C(C1CCC1)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000037400863 569195012 /nfs/dbraw/zinc/19/50/12/569195012.db2.gz KOULUBINXOQTQD-HXUWFJFHSA-N 0 0 447.528 3.901 50 0 IHAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000037422542 569195510 /nfs/dbraw/zinc/19/55/10/569195510.db2.gz ZUSPMNWZQVMXRQ-INIZCTEOSA-N 0 0 441.908 3.639 50 0 IHAARN O=C(CCNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1cccnc1 ZINC000037425946 569195700 /nfs/dbraw/zinc/19/57/00/569195700.db2.gz KMKCHUXQDGZVJG-UHFFFAOYSA-N 0 0 449.458 3.737 50 0 IHAARN COc1ccccc1Nc1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cs1 ZINC000037435556 569196170 /nfs/dbraw/zinc/19/61/70/569196170.db2.gz LODWUZVONKJLMP-OAHLLOKOSA-N 0 0 440.525 3.657 50 0 IHAARN O=C(c1cccc(F)c1)N1CCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000037554627 569200412 /nfs/dbraw/zinc/20/04/12/569200412.db2.gz IGMVWMROESMYDM-UHFFFAOYSA-N 0 0 442.454 3.639 50 0 IHAARN COc1ccc(CCNC(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000002211204 569201169 /nfs/dbraw/zinc/20/11/69/569201169.db2.gz YPPMLHSXPRRZOW-UHFFFAOYSA-N 0 0 447.539 3.812 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602817 569202495 /nfs/dbraw/zinc/20/24/95/569202495.db2.gz ZGKQKQMIWCQJSY-NVQXNPDNSA-N 0 0 436.552 3.553 50 0 IHAARN O=C1N[C@H](c2cccc(Br)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000195531420 569204236 /nfs/dbraw/zinc/20/42/36/569204236.db2.gz QFHWXDRJPSSTMX-VBQJREDUSA-N 0 0 443.219 3.553 50 0 IHAARN COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc21 ZINC000002223616 569204772 /nfs/dbraw/zinc/20/47/72/569204772.db2.gz ZBQPQCSZDZWWJP-UHFFFAOYSA-N 0 0 427.453 3.526 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252672067 569209995 /nfs/dbraw/zinc/20/99/95/569209995.db2.gz PBUUFPPCLHPYIE-SFHVURJKSA-N 0 0 444.965 3.513 50 0 IHAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 ZINC000002231597 569210678 /nfs/dbraw/zinc/21/06/78/569210678.db2.gz NQDWLJXYRCCWIN-IAGOWNOFSA-N 0 0 437.887 3.740 50 0 IHAARN COC(=O)c1cn(NC(=O)c2cc(-c3ccco3)nc3ccccc32)c(=O)c2ccccc12 ZINC000003630890 569211896 /nfs/dbraw/zinc/21/18/96/569211896.db2.gz ALBRLOKVRULVOU-UHFFFAOYSA-N 0 0 439.427 3.980 50 0 IHAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c32)CO1 ZINC000002235633 569212058 /nfs/dbraw/zinc/21/20/58/569212058.db2.gz PJXGDUTZYNMTDP-QFIPXVFZSA-N 0 0 442.610 3.966 50 0 IHAARN CC(=O)Nc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002235287 569212101 /nfs/dbraw/zinc/21/21/01/569212101.db2.gz AGMSQBBKEVQNBG-UHFFFAOYSA-N 0 0 444.535 3.951 50 0 IHAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000027427235 569213169 /nfs/dbraw/zinc/21/31/69/569213169.db2.gz KNJMHCMBJOPSTD-UHFFFAOYSA-N 0 0 447.473 3.590 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(N1CCOCC1)O2 ZINC000002270491 569217105 /nfs/dbraw/zinc/21/71/05/569217105.db2.gz GHVINQXMZGIXBH-UHFFFAOYSA-N 0 0 434.340 3.581 50 0 IHAARN CCOC(=O)[C@](NC(=O)N(C1=NCC(C)(C)S1)c1cccc(C)c1)(OC)C(F)(F)F ZINC000002270370 569217153 /nfs/dbraw/zinc/21/71/53/569217153.db2.gz RHDNTURYKSGKIW-SFHVURJKSA-N 0 0 447.479 3.861 50 0 biogenic IHAARN COc1ccc(CCNC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc32)cc1 ZINC000002287745 569263960 /nfs/dbraw/zinc/26/39/60/569263960.db2.gz UAZBOUZGKYOZOL-UHFFFAOYSA-N 0 0 441.491 3.789 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nc(C(C)(C)C)cs1)C=C2 ZINC000253394856 569264468 /nfs/dbraw/zinc/26/44/68/569264468.db2.gz AGRAIFUHCVGEEL-UHFFFAOYSA-N 0 0 429.542 3.842 50 0 biogenic IHAARN Cc1cc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(Cl)cc1Cl ZINC000253401675 569264940 /nfs/dbraw/zinc/26/49/40/569264940.db2.gz NKJTWSVOQLIWTC-INIZCTEOSA-N 0 0 435.398 3.963 50 0 IHAARN COCCNC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002301785 569271428 /nfs/dbraw/zinc/27/14/28/569271428.db2.gz RZODMPHKMWQQHB-RYUDHWBXSA-N 0 0 447.255 3.682 50 0 IHAARN CN(C)C(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000027566722 569272885 /nfs/dbraw/zinc/27/28/85/569272885.db2.gz FUPIHVNYRVTANJ-GKWUYRECSA-N 0 0 441.591 3.676 50 0 IHAARN COc1cccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@@](O)(C(F)(F)F)C2)c1 ZINC000027570402 569273223 /nfs/dbraw/zinc/27/32/23/569273223.db2.gz VQQLURCMESRZBH-NRFANRHFSA-N 0 0 436.430 3.887 50 0 IHAARN CC(C)CCNC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000002334888 569274663 /nfs/dbraw/zinc/27/46/63/569274663.db2.gz AXFPCORDYUTVST-UHFFFAOYSA-N 0 0 431.496 3.703 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018020569 569284131 /nfs/dbraw/zinc/28/41/31/569284131.db2.gz BJYIMQPZJLUZFU-XIGIHCPSSA-N 0 0 438.483 3.526 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC ZINC000002365982 569288283 /nfs/dbraw/zinc/28/82/83/569288283.db2.gz YJCLNMFONCIAIZ-GJZGRUSLSA-N 0 0 430.306 3.786 50 0 IHAARN COc1ccc(NC(=O)COc2cc3oc(=O)c(C[C@H](C)O)c(C)c3cc2Cl)cc1 ZINC000002373402 569289252 /nfs/dbraw/zinc/28/92/52/569289252.db2.gz UULGQYGSLFXUDO-LBPRGKRZSA-N 0 0 431.872 3.704 50 0 IHAARN CCc1cc(=O)oc2cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002375832 569289351 /nfs/dbraw/zinc/28/93/51/569289351.db2.gz VHWONOHWHHLHEA-UHFFFAOYSA-N 0 0 449.912 3.591 50 0 IHAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)CN1Cc1cccc(O)c1 ZINC000055118932 569289499 /nfs/dbraw/zinc/28/94/99/569289499.db2.gz ANTLRDHJEPYRFN-UPVQGACJSA-N 0 0 448.494 3.744 50 0 IHAARN COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n3n2)cc1OC ZINC000002383735 569293964 /nfs/dbraw/zinc/29/39/64/569293964.db2.gz CAIXXLWIJZXFQG-NDENLUEZSA-N 0 0 449.463 3.782 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002390929 569297673 /nfs/dbraw/zinc/29/76/73/569297673.db2.gz UXLUMINOBNLPDQ-ROUUACIJSA-N 0 0 437.887 3.740 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000002413099 569301162 /nfs/dbraw/zinc/30/11/62/569301162.db2.gz MPFZGPWAVMEACJ-KRWDZBQOSA-N 0 0 445.319 3.650 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 ZINC000002415684 569301359 /nfs/dbraw/zinc/30/13/59/569301359.db2.gz JFHYOTANLREDCT-INIZCTEOSA-N 0 0 436.537 3.795 50 0 IHAARN COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000011990351 569303407 /nfs/dbraw/zinc/30/34/07/569303407.db2.gz UJBKWKSNHFBNFC-OAQYLSRUSA-N 0 0 448.527 3.929 50 0 IHAARN COc1cc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc(OC)c1OC ZINC000013037046 569307622 /nfs/dbraw/zinc/30/76/22/569307622.db2.gz WEZDCCXIRMABAC-AWEZNQCLSA-N 0 0 427.432 3.730 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013042329 569308216 /nfs/dbraw/zinc/30/82/16/569308216.db2.gz NYVPCNYAEWKANG-HNAYVOBHSA-N 0 0 434.533 3.621 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000013042331 569308260 /nfs/dbraw/zinc/30/82/60/569308260.db2.gz NYVPCNYAEWKANG-DNVCBOLYSA-N 0 0 434.533 3.621 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013075372 569309273 /nfs/dbraw/zinc/30/92/73/569309273.db2.gz UPVSRNBBFFSTDB-UHFFFAOYSA-N 0 0 430.526 3.715 50 0 IHAARN CCCCn1c2nc(COc3cc(Cl)ccc3Cl)n(CCC)c2c(=O)[nH]c1=O ZINC000013113103 569310635 /nfs/dbraw/zinc/31/06/35/569310635.db2.gz RIDGNERJHGIIEG-UHFFFAOYSA-N 0 0 425.316 3.982 50 0 IHAARN Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000013149135 569312179 /nfs/dbraw/zinc/31/21/79/569312179.db2.gz KMEGLPABZIYOIZ-UHFFFAOYSA-N 0 0 434.279 3.587 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c2C)no1 ZINC000013150023 569312264 /nfs/dbraw/zinc/31/22/64/569312264.db2.gz UJNWHUPISVPAQK-UHFFFAOYSA-N 0 0 430.390 3.946 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013164568 569312414 /nfs/dbraw/zinc/31/24/14/569312414.db2.gz SGMANIULPDUZSL-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN COc1cc(C(=O)N2CCC[C@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OC)c1OC ZINC000013356479 569313672 /nfs/dbraw/zinc/31/36/72/569313672.db2.gz HDACBKRPFMQYIR-VWLOTQADSA-N 0 0 440.540 3.580 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CN2c3cc(CC(C)C)sc3SCC2=O)c1 ZINC000013358709 569313716 /nfs/dbraw/zinc/31/37/16/569313716.db2.gz GZUQGLBTAUBXOV-UHFFFAOYSA-N 0 0 434.583 3.719 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)CC)cc1 ZINC000013365840 569314270 /nfs/dbraw/zinc/31/42/70/569314270.db2.gz AYSOQPDKPBJCNI-INIZCTEOSA-N 0 0 444.553 3.575 50 0 IHAARN CCc1nn2c(nc(COc3ccc(NC(=O)c4ccccc4OC)cc3)cc2=O)s1 ZINC000013368160 569314461 /nfs/dbraw/zinc/31/44/61/569314461.db2.gz LAFIYNMFOCPKOR-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)cc1 ZINC000328590516 569316813 /nfs/dbraw/zinc/31/68/13/569316813.db2.gz LBMXJFHHSPTJGH-UHFFFAOYSA-N 0 0 441.889 3.503 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000328592894 569317279 /nfs/dbraw/zinc/31/72/79/569317279.db2.gz FEDHSCWQCBKDEV-XJKCOSOUSA-N 0 0 432.546 3.789 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2Br)c(C)c1 ZINC000328594002 569317416 /nfs/dbraw/zinc/31/74/16/569317416.db2.gz HRLMQZIUTSCMOG-UHFFFAOYSA-N 0 0 428.304 3.744 50 0 IHAARN Cn1cc(CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)cn1 ZINC000078705929 569318292 /nfs/dbraw/zinc/31/82/92/569318292.db2.gz LJPVYRBTCNEVCR-UHFFFAOYSA-N 0 0 430.493 3.521 50 0 IHAARN O=C(c1cc(-c2ccco2)on1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000078869381 569319544 /nfs/dbraw/zinc/31/95/44/569319544.db2.gz COMDQDPIBXTHGQ-UHFFFAOYSA-N 0 0 425.876 3.584 50 0 IHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000078879481 569320040 /nfs/dbraw/zinc/32/00/40/569320040.db2.gz HPMBFDPHFLZFPM-CVEARBPZSA-N 0 0 442.990 3.722 50 0 IHAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000078969804 569320969 /nfs/dbraw/zinc/32/09/69/569320969.db2.gz QFBODVHEBPEOMQ-GJZGRUSLSA-N 0 0 426.888 3.585 50 0 IHAARN CS(=O)(=O)NCC[C@H]1CCCCN1c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000079017460 569322115 /nfs/dbraw/zinc/32/21/15/569322115.db2.gz SEPCSIFHBSIMMS-MRXNPFEDSA-N 0 0 434.562 3.796 50 0 IHAARN Cc1c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cccnc21 ZINC000079025353 569322809 /nfs/dbraw/zinc/32/28/09/569322809.db2.gz UWPPTCBAMOAWJW-HNNXBMFYSA-N 0 0 439.479 3.589 50 0 IHAARN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000079059311 569323881 /nfs/dbraw/zinc/32/38/81/569323881.db2.gz DXGAJCDEXQJSRP-UHFFFAOYSA-N 0 0 445.564 3.689 50 0 IHAARN COc1ccc([C@H](CNS(=O)(=O)CC[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000079095550 569325241 /nfs/dbraw/zinc/32/52/41/569325241.db2.gz TZWZGMIKTFWGJW-CTNGQTDRSA-N 0 0 428.554 3.797 50 0 IHAARN Cc1c(C(=O)N(C)CCOCc2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000079094149 569325243 /nfs/dbraw/zinc/32/52/43/569325243.db2.gz LTASNTCBJJRMAG-UHFFFAOYSA-N 0 0 425.554 3.782 50 0 IHAARN COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)c1 ZINC000079112471 569326360 /nfs/dbraw/zinc/32/63/60/569326360.db2.gz CZAUBOSUMBOUST-HXUWFJFHSA-N 0 0 429.542 3.791 50 0 IHAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cccc3c2n(c1=O)CCC3 ZINC000079192988 569328098 /nfs/dbraw/zinc/32/80/98/569328098.db2.gz SNIIEFSKLMHYCI-XXBNENTESA-N 0 0 443.455 3.510 50 0 biogenic IHAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCOC(=O)C(C)(C)C)c2c1 ZINC000019792939 569329384 /nfs/dbraw/zinc/32/93/84/569329384.db2.gz CIIVANSTYYGLJX-UHFFFAOYSA-N 0 0 430.501 3.980 50 0 IHAARN CCCOc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793734 569329440 /nfs/dbraw/zinc/32/94/40/569329440.db2.gz VROXMBGJOCUFHZ-UHFFFAOYSA-N 0 0 449.551 3.672 50 0 IHAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2 ZINC000079491807 569331318 /nfs/dbraw/zinc/33/13/18/569331318.db2.gz NKUUXSDYCCADBX-UHFFFAOYSA-N 0 0 429.480 3.584 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000002463320 569331789 /nfs/dbraw/zinc/33/17/89/569331789.db2.gz LZDIDLGNXREJNR-AUUYWEPGSA-N 0 0 432.542 3.942 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1N ZINC000020051098 569332875 /nfs/dbraw/zinc/33/28/75/569332875.db2.gz FLPPPXUIAWFXND-HNNXBMFYSA-N 0 0 437.569 3.516 50 0 IHAARN Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1 ZINC000020153134 569353443 /nfs/dbraw/zinc/35/34/43/569353443.db2.gz NOLZCSQUYFSYBL-UHFFFAOYSA-N 0 0 449.457 3.631 50 0 IHAARN CCn1nccc1-c1nc(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000390827053 569353820 /nfs/dbraw/zinc/35/38/20/569353820.db2.gz DRPMJPADKMEGFE-UHFFFAOYSA-N 0 0 433.434 3.921 50 0 IHAARN O=S(=O)(CCOc1ccccc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390827543 569353918 /nfs/dbraw/zinc/35/39/18/569353918.db2.gz ZCSIPLLIMYQASH-UHFFFAOYSA-N 0 0 440.569 3.599 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C ZINC000390828531 569353923 /nfs/dbraw/zinc/35/39/23/569353923.db2.gz RSDGERGQCCHZNQ-JTQLQIEISA-N 0 0 430.313 3.530 50 0 IHAARN CN1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)CC1 ZINC000020181119 569355242 /nfs/dbraw/zinc/35/52/42/569355242.db2.gz RHJUFEYYJIXUHN-XSFVSMFZSA-N 0 0 427.957 3.594 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NC[C@@H](C)c1ccccc1 ZINC000020241820 569358031 /nfs/dbraw/zinc/35/80/31/569358031.db2.gz MVWXRDFOPPTOEA-QGZVFWFLSA-N 0 0 426.538 3.793 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(C(C)C)cc1 ZINC000020322764 569360419 /nfs/dbraw/zinc/36/04/19/569360419.db2.gz FIWYEBIGNBIWSR-UHFFFAOYSA-N 0 0 446.617 3.805 50 0 IHAARN Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1 ZINC000020323200 569360421 /nfs/dbraw/zinc/36/04/21/569360421.db2.gz SOJRCKUASLXVPZ-UHFFFAOYSA-N 0 0 443.956 3.598 50 0 IHAARN O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000095349222 569361632 /nfs/dbraw/zinc/36/16/32/569361632.db2.gz NBKRXGXOZTYFKP-UHFFFAOYSA-N 0 0 428.536 3.922 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095350285 569361736 /nfs/dbraw/zinc/36/17/36/569361736.db2.gz ZPNVMSGTQVRBOI-GFCCVEGCSA-N 0 0 435.274 3.524 50 0 IHAARN CCCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 ZINC000020387977 569363316 /nfs/dbraw/zinc/36/33/16/569363316.db2.gz MBCCGLMXAILSJI-UHFFFAOYSA-N 0 0 438.601 3.992 50 0 IHAARN COc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000095393868 569363522 /nfs/dbraw/zinc/36/35/22/569363522.db2.gz VKKNHQYVQHYCQE-DLBZAZTESA-N 0 0 428.533 3.646 50 0 IHAARN COc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(Br)cc3C)n2)cc1 ZINC000020414511 569364298 /nfs/dbraw/zinc/36/42/98/569364298.db2.gz MXMPLWZPZQARII-UHFFFAOYSA-N 0 0 431.290 3.891 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O ZINC000095405523 569364418 /nfs/dbraw/zinc/36/44/18/569364418.db2.gz KWZCAMFASZLIQG-WAIKUNEKSA-N 0 0 449.523 3.600 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417351 569364903 /nfs/dbraw/zinc/36/49/03/569364903.db2.gz KBEZJIGBJXVAFV-XCGNWRKASA-N 0 0 438.547 3.943 50 0 IHAARN COc1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)c1 ZINC000020417258 569364945 /nfs/dbraw/zinc/36/49/45/569364945.db2.gz FQNPJJHNKIXMSM-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3cccs3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417749 569365071 /nfs/dbraw/zinc/36/50/71/569365071.db2.gz HSXISCMVIIFJEF-UHFFFAOYSA-N 0 0 440.956 3.894 50 0 IHAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000095418175 569365483 /nfs/dbraw/zinc/36/54/83/569365483.db2.gz LOWPMWZNOWODFU-UHFFFAOYSA-N 0 0 427.819 3.712 50 0 IHAARN COc1cc(CN2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1c(C)noc1C ZINC000095430316 569366183 /nfs/dbraw/zinc/36/61/83/569366183.db2.gz JPEDIQGCWQERHS-UHFFFAOYSA-N 0 0 435.524 3.837 50 0 IHAARN Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 ZINC000095452751 569368075 /nfs/dbraw/zinc/36/80/75/569368075.db2.gz DDJUJXYCHHYRPQ-UNMCSNQZSA-N 0 0 433.556 3.738 50 0 IHAARN COc1ccc(C(=O)OCc2cc(C)nc3ccccc23)nc1I ZINC000095455612 569368721 /nfs/dbraw/zinc/36/87/21/569368721.db2.gz WJEJCHHZVAMBEY-UHFFFAOYSA-N 0 0 434.233 3.908 50 0 IHAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)CCCO2 ZINC000095458708 569369237 /nfs/dbraw/zinc/36/92/37/569369237.db2.gz OTVUYHZBJGETLR-UHFFFAOYSA-N 0 0 442.459 3.668 50 0 IHAARN CCOC(=O)c1cn(C)nc1NC(=O)CSc1cc(C)c(Br)cc1C ZINC000095462391 569370111 /nfs/dbraw/zinc/37/01/11/569370111.db2.gz SHBPBVAGLAFYAR-UHFFFAOYSA-N 0 0 426.336 3.707 50 0 IHAARN CC(C)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000095471644 569371985 /nfs/dbraw/zinc/37/19/85/569371985.db2.gz SCNHCGUICUHCBP-UHFFFAOYSA-N 0 0 432.542 3.766 50 0 IHAARN COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c21 ZINC000095479859 569373839 /nfs/dbraw/zinc/37/38/39/569373839.db2.gz POHHEPQUUUQVCE-SJORKVTESA-N 0 0 446.956 3.655 50 0 IHAARN Cc1nnc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)s1 ZINC000095481958 569374205 /nfs/dbraw/zinc/37/42/05/569374205.db2.gz CONLQXMOYSWIIO-UHFFFAOYSA-N 0 0 429.531 3.586 50 0 IHAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000020645385 569374799 /nfs/dbraw/zinc/37/47/99/569374799.db2.gz GOXQIJRMIARJJY-UHFFFAOYSA-N 0 0 428.602 3.647 50 0 IHAARN CCn1c2ccccc2nc1[C@H](C)NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095941269 569375386 /nfs/dbraw/zinc/37/53/86/569375386.db2.gz VXQILJIZBBQQMY-INIZCTEOSA-N 0 0 434.569 3.997 50 0 IHAARN O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3ccsc32)CC1)c1ccccc1 ZINC000095948995 569376558 /nfs/dbraw/zinc/37/65/58/569376558.db2.gz UNOAEDSCNTXEGK-UHFFFAOYSA-N 0 0 442.488 3.657 50 0 IHAARN CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c32)CC1 ZINC000095949010 569376567 /nfs/dbraw/zinc/37/65/67/569376567.db2.gz LKUBJPNZPZOZFG-UHFFFAOYSA-N 0 0 436.525 3.625 50 0 IHAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095976771 569377593 /nfs/dbraw/zinc/37/75/93/569377593.db2.gz JAGLLGGBGUNWPL-UHFFFAOYSA-N 0 0 449.573 3.576 50 0 IHAARN CCOc1ccccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000095993583 569378496 /nfs/dbraw/zinc/37/84/96/569378496.db2.gz 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50 0 IHAARN CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000096274229 569388190 /nfs/dbraw/zinc/38/81/90/569388190.db2.gz UTSVNQJAYZEPGR-CRAIPNDOSA-N 0 0 444.582 3.678 50 0 IHAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)[C@@]3(Cl)C[C@@H]3F)c2)n1 ZINC000096278463 569389124 /nfs/dbraw/zinc/38/91/24/569389124.db2.gz XOGFVFXDVWRDSJ-LAUBAEHRSA-N 0 0 448.857 3.757 50 0 IHAARN Cc1cc([C@@H]2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)C2CC2)ccc1F ZINC000096281561 569389909 /nfs/dbraw/zinc/38/99/09/569389909.db2.gz JTFXIYHBZLDUJM-FPOVZHCZSA-N 0 0 438.499 3.869 50 0 IHAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2cccc(F)c2)c1=O ZINC000096281314 569389924 /nfs/dbraw/zinc/38/99/24/569389924.db2.gz YFXGHGVFCJPLQH-UHFFFAOYSA-N 0 0 442.441 3.861 50 0 IHAARN CCNC(=O)N(CCOC)Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000096290837 569391039 /nfs/dbraw/zinc/39/10/39/569391039.db2.gz IKOZUWJXXWGEHE-UHFFFAOYSA-N 0 0 440.949 3.594 50 0 IHAARN O=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000096301280 569392063 /nfs/dbraw/zinc/39/20/63/569392063.db2.gz PBKQHHYLMZAAEB-IBGZPJMESA-N 0 0 448.350 3.534 50 0 IHAARN Cc1c2c(nn1-c1cccc(C(F)(F)F)c1)c(=O)n(CC(=O)Nc1ccccc1)nc2C ZINC000096306045 569392193 /nfs/dbraw/zinc/39/21/93/569392193.db2.gz HYFFMIJDXGBCIB-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000096316772 569392828 /nfs/dbraw/zinc/39/28/28/569392828.db2.gz HMXADPVUCBLIOK-UHFFFAOYSA-N 0 0 437.588 3.892 50 0 IHAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317397 569393317 /nfs/dbraw/zinc/39/33/17/569393317.db2.gz WLIOXMBPQGZMHX-UHFFFAOYSA-N 0 0 431.943 3.897 50 0 IHAARN CC[C@@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317386 569393368 /nfs/dbraw/zinc/39/33/68/569393368.db2.gz GSTSEJASZYDEAI-OAHLLOKOSA-N 0 0 448.970 3.977 50 0 IHAARN CCc1nc(CN(CC(C)C)C(=O)NC(C)(C)C)[nH]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317643 569393606 /nfs/dbraw/zinc/39/36/06/569393606.db2.gz WVHCQQTZQASGFT-UHFFFAOYSA-N 0 0 428.577 3.898 50 0 IHAARN CCc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000096318242 569393730 /nfs/dbraw/zinc/39/37/30/569393730.db2.gz XZPALUOIIQSKGS-UHFFFAOYSA-N 0 0 431.467 3.801 50 0 IHAARN CC(C)(C)NC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000096324471 569395841 /nfs/dbraw/zinc/39/58/41/569395841.db2.gz UBHVNNRUAYKOAP-UHFFFAOYSA-N 0 0 440.544 3.948 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1ccc(C(=O)NCc2ccc(C)o2)cc1 ZINC000096324495 569395916 /nfs/dbraw/zinc/39/59/16/569395916.db2.gz DDUUCEYXMQCSCP-UHFFFAOYSA-N 0 0 426.542 3.712 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2 ZINC000096331494 569396445 /nfs/dbraw/zinc/39/64/45/569396445.db2.gz ONTYXWNZVNBFKI-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000096372444 569397867 /nfs/dbraw/zinc/39/78/67/569397867.db2.gz FDZMBSWXHBTPTQ-UHFFFAOYSA-N 0 0 428.467 3.761 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000096398495 569399699 /nfs/dbraw/zinc/39/96/99/569399699.db2.gz IQTWKQMASINGDF-KRWDZBQOSA-N 0 0 443.588 3.823 50 0 IHAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000096399481 569399977 /nfs/dbraw/zinc/39/99/77/569399977.db2.gz YDBLTCOWYMITQE-UHFFFAOYSA-N 0 0 435.596 3.809 50 0 IHAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000096839807 569402479 /nfs/dbraw/zinc/40/24/79/569402479.db2.gz BXRPFKLTFLBYCL-UHFFFAOYSA-N 0 0 449.555 3.778 50 0 IHAARN CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000097164751 569403292 /nfs/dbraw/zinc/40/32/92/569403292.db2.gz OMAFYZQCQUQKKF-APWZRJJASA-N 0 0 433.915 3.579 50 0 IHAARN C[C@@H](O)c1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)s1 ZINC000225683021 569406971 /nfs/dbraw/zinc/40/69/71/569406971.db2.gz SCDPZLZFNSLLSB-MRXNPFEDSA-N 0 0 435.611 3.766 50 0 IHAARN Cc1nc2c(c(N3CCC(NS(=O)(=O)c4cccc(Cl)c4C)CC3)n1)CCCC2 ZINC000225740363 569407910 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Cc1cc2c(nc(C)n(NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c2=O)s1 ZINC000002778062 569420961 /nfs/dbraw/zinc/42/09/61/569420961.db2.gz FXVZKJGOBPLLRL-MRVPVSSYSA-N 0 0 433.843 3.583 50 0 IHAARN Cc1nn(C)cc1/C=C1/N=C(SCC(=O)Nc2cc(C)ccc2C)N(CC(C)C)C1=O ZINC000002785938 569421336 /nfs/dbraw/zinc/42/13/36/569421336.db2.gz SKNKDIGMNXJSGI-KEBDBYFISA-N 0 0 439.585 3.912 50 0 IHAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000002787794 569421429 /nfs/dbraw/zinc/42/14/29/569421429.db2.gz OKOLEGASVMKXQL-UHFFFAOYSA-N 0 0 428.283 3.530 50 0 IHAARN CCSc1nnc(C(F)F)n1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002791030 569421819 /nfs/dbraw/zinc/42/18/19/569421819.db2.gz FNUDRUFPOLJYHD-LURJTMIESA-N 0 0 432.806 3.836 50 0 IHAARN COc1ccccc1C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 ZINC000002887465 569424182 /nfs/dbraw/zinc/42/41/82/569424182.db2.gz DLBVJPNTTWRXKN-UHFFFAOYSA-N 0 0 443.455 3.993 50 0 IHAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCCC1 ZINC000002927024 569425793 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IHAARN CCOc1cc(/C=C2\NC(=S)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000002978163 569433623 /nfs/dbraw/zinc/43/36/23/569433623.db2.gz XVQGBMLJOSAEEP-DHDCSXOGSA-N 0 0 433.327 3.772 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(I)cc3)n[nH]2)c(OC)c1 ZINC000057413004 569433789 /nfs/dbraw/zinc/43/37/89/569433789.db2.gz ZWKHBIMINGANBV-UHFFFAOYSA-N 0 0 449.248 3.951 50 0 IHAARN CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 ZINC000057425928 569434458 /nfs/dbraw/zinc/43/44/58/569434458.db2.gz OVKDJZUBKVSRIC-UHFFFAOYSA-N 0 0 431.583 3.866 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCCCC2)cc1 ZINC000057425968 569434492 /nfs/dbraw/zinc/43/44/92/569434492.db2.gz AXZJKUBJFYQMKQ-UHFFFAOYSA-N 0 0 429.567 3.620 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1ccccc1Cl ZINC000057426714 569434692 /nfs/dbraw/zinc/43/46/92/569434692.db2.gz CIYQUTLPHSOCBH-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN CN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)c1ccccc1 ZINC000057427896 569434807 /nfs/dbraw/zinc/43/48/07/569434807.db2.gz 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COc1ccc([C@H](C)NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000057486534 569436477 /nfs/dbraw/zinc/43/64/77/569436477.db2.gz WVPKDRWHJKSDAD-KRWDZBQOSA-N 0 0 445.523 3.592 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000057486497 569436489 /nfs/dbraw/zinc/43/64/89/569436489.db2.gz WQLVLZYXGVJUDD-UHFFFAOYSA-N 0 0 431.496 3.743 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H](C)CCc3ccccc3)c2=O)c1 ZINC000057490136 569437134 /nfs/dbraw/zinc/43/71/34/569437134.db2.gz ACSZXLZQNAPWFM-SFHVURJKSA-N 0 0 447.560 3.660 50 0 IHAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000057491685 569437383 /nfs/dbraw/zinc/43/73/83/569437383.db2.gz GSKVPGAHGMRVKZ-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c1 ZINC000057492403 569437435 /nfs/dbraw/zinc/43/74/35/569437435.db2.gz ZBDVLACLNCLXJM-UHFFFAOYSA-N 0 0 448.548 3.535 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1F ZINC000003031865 569437782 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3.732 50 0 IHAARN O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057681175 569440942 /nfs/dbraw/zinc/44/09/42/569440942.db2.gz MUPPBOCMLXSDOC-MRXNPFEDSA-N 0 0 432.423 3.945 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000003190315 569441447 /nfs/dbraw/zinc/44/14/47/569441447.db2.gz OEYHHWCQMQUJJZ-HRAATJIYSA-N 0 0 425.529 3.617 50 0 IHAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000057838657 569441778 /nfs/dbraw/zinc/44/17/78/569441778.db2.gz ZGNJPJBTJGFUAH-SFHVURJKSA-N 0 0 440.975 3.612 50 0 IHAARN COc1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(OC)c2)cc1 ZINC000003223921 569442101 /nfs/dbraw/zinc/44/21/01/569442101.db2.gz AIVVJTDWSCPWIB-UHFFFAOYSA-N 0 0 430.460 3.647 50 0 IHAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1 ZINC000003227472 569442180 /nfs/dbraw/zinc/44/21/80/569442180.db2.gz UMKVLNXDRQKFQM-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN CCc1ccc(OCc2nnc(SCC(=O)NCC(F)(F)F)n2CC(C)C)cc1 ZINC000003251321 569442896 /nfs/dbraw/zinc/44/28/96/569442896.db2.gz ZGWAIYIJRGYFAP-UHFFFAOYSA-N 0 0 430.496 3.846 50 0 IHAARN CCOc1c(Br)cc(CN[C@H](C(N)=O)c2ccccc2)cc1Br ZINC000058007842 569444713 /nfs/dbraw/zinc/44/47/13/569444713.db2.gz FHHPXWVUJCHMTL-HNNXBMFYSA-N 0 0 442.151 3.927 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000058082717 569446836 /nfs/dbraw/zinc/44/68/36/569446836.db2.gz DDNCPOZYZWPPQX-UHFFFAOYSA-N 0 0 429.904 3.881 50 0 IHAARN C[C@@H](NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)no1 ZINC000670438222 569446841 /nfs/dbraw/zinc/44/68/41/569446841.db2.gz CONSIEDOVNVJGH-QGZVFWFLSA-N 0 0 434.496 3.619 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c2oc1-c1ccccc1 ZINC000003359098 569447767 /nfs/dbraw/zinc/44/77/67/569447767.db2.gz GFLQKRWRAKSXNR-HOTGVXAUSA-N 0 0 435.476 3.561 50 0 IHAARN CCc1c(C)sc2nc(SCc3nc(=O)c4c5c(sc4[nH]3)CCC5)n(C)c(=O)c12 ZINC000003367405 569448209 /nfs/dbraw/zinc/44/82/09/569448209.db2.gz 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COC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc2c1=O ZINC000003396461 569449490 /nfs/dbraw/zinc/44/94/90/569449490.db2.gz YYKFWTBTTOHXKE-AWEZNQCLSA-N 0 0 425.510 3.537 50 0 IHAARN O=C(CNC(c1ccccc1)c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000058172481 569449689 /nfs/dbraw/zinc/44/96/89/569449689.db2.gz SKIXNGLFVXPGOE-QHCPKHFHSA-N 0 0 434.561 3.586 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O ZINC000003404464 569449891 /nfs/dbraw/zinc/44/98/91/569449891.db2.gz ISZLALJRMDNLJN-YUNKPMOVSA-N 0 0 426.344 3.746 50 0 IHAARN Cc1cc(C)n2c(nnc2S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1 ZINC000003407054 569449918 /nfs/dbraw/zinc/44/99/18/569449918.db2.gz CQLRRLXXDKOWPS-INIZCTEOSA-N 0 0 429.933 3.708 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC[C@@H]1CCCO1 ZINC000003412967 569450138 /nfs/dbraw/zinc/45/01/38/569450138.db2.gz JBEZRQFSXJSXJN-INIZCTEOSA-N 0 0 432.933 3.627 50 0 IHAARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000003418398 569450326 /nfs/dbraw/zinc/45/03/26/569450326.db2.gz UUTUZYYWGDENPR-IFXJQAMLSA-N 0 0 430.501 3.731 50 0 IHAARN O=C(COc1ccccc1)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000003422997 569450459 /nfs/dbraw/zinc/45/04/59/569450459.db2.gz XRNPDYJNKJHVFK-UHFFFAOYSA-N 0 0 431.208 3.602 50 0 IHAARN CCc1c(C)sc2nc(SCC(=O)NC3CC3)n(-c3ccc(O)cc3C)c(=O)c12 ZINC000003433632 569450949 /nfs/dbraw/zinc/45/09/49/569450949.db2.gz WNUHEFSMVSIWQB-UHFFFAOYSA-N 0 0 429.567 3.703 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1C1CC1 ZINC000003437370 569451037 /nfs/dbraw/zinc/45/10/37/569451037.db2.gz HYVQTDHTDFHTAT-UHFFFAOYSA-N 0 0 444.553 3.654 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1=O ZINC000003437339 569451041 /nfs/dbraw/zinc/45/10/41/569451041.db2.gz ZZHNSFZIJIYQRJ-GOSISDBHSA-N 0 0 447.535 3.650 50 0 IHAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)s2)c1 ZINC000003439488 569451094 /nfs/dbraw/zinc/45/10/94/569451094.db2.gz MDOIAALFRMXURQ-LBPRGKRZSA-N 0 0 444.538 3.816 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000003445093 569451340 /nfs/dbraw/zinc/45/13/40/569451340.db2.gz REUWSMMBBPOPPO-SFHVURJKSA-N 0 0 432.318 3.801 50 0 IHAARN Cc1sc2nc(C)nc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2c1C ZINC000003449286 569451536 /nfs/dbraw/zinc/45/15/36/569451536.db2.gz OGAHLCJGOSBRTJ-UHFFFAOYSA-N 0 0 449.623 3.930 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 ZINC000003451886 569451648 /nfs/dbraw/zinc/45/16/48/569451648.db2.gz UORFAIUHCJEZGZ-OAHLLOKOSA-N 0 0 443.425 3.997 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 ZINC000003451881 569451662 /nfs/dbraw/zinc/45/16/62/569451662.db2.gz UORFAIUHCJEZGZ-HNNXBMFYSA-N 0 0 443.425 3.997 50 0 IHAARN O=C(CSc1nnnn1Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000030967616 569451759 /nfs/dbraw/zinc/45/17/59/569451759.db2.gz FZCSGAMOMFXJSG-UHFFFAOYSA-N 0 0 444.492 3.854 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000003466346 569452003 /nfs/dbraw/zinc/45/20/03/569452003.db2.gz IKSCYGNCJPDXPV-UHFFFAOYSA-N 0 0 443.598 3.778 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)s1 ZINC000030997069 569452150 /nfs/dbraw/zinc/45/21/50/569452150.db2.gz GLQXULDPJBUYMA-HXUWFJFHSA-N 0 0 430.595 3.773 50 0 IHAARN CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000003472582 569452172 /nfs/dbraw/zinc/45/21/72/569452172.db2.gz AUFJXSARSHCURA-MRXNPFEDSA-N 0 0 432.542 3.909 50 0 IHAARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 ZINC000003488107 569452457 /nfs/dbraw/zinc/45/24/57/569452457.db2.gz WJELRDPJLISYAP-CQSZACIVSA-N 0 0 436.420 3.753 50 0 IHAARN COc1cc2c(cc1NC(=O)COC(=O)[C@H]1COc3ccccc3O1)oc1ccccc12 ZINC000003497429 569452693 /nfs/dbraw/zinc/45/26/93/569452693.db2.gz DXXKEYYFKRZJAH-JOCHJYFZSA-N 0 0 433.416 3.916 50 0 IHAARN O=C(CCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1cccs1 ZINC000031031974 569452733 /nfs/dbraw/zinc/45/27/33/569452733.db2.gz LCXFBZPHTABZSC-UHFFFAOYSA-N 0 0 427.522 3.994 50 0 IHAARN Cc1cc(C)cc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)c1 ZINC000003519952 569453161 /nfs/dbraw/zinc/45/31/61/569453161.db2.gz DMDLEKFICNNMHK-UHFFFAOYSA-N 0 0 441.516 3.857 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000003528837 569453325 /nfs/dbraw/zinc/45/33/25/569453325.db2.gz PWTNDMRIJTWFFO-QGZVFWFLSA-N 0 0 438.549 3.536 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000003536115 569453468 /nfs/dbraw/zinc/45/34/68/569453468.db2.gz HJGLCQBXBLWQDV-UHFFFAOYSA-N 0 0 430.489 3.975 50 0 IHAARN CC(C)[C@@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000003542321 569453626 /nfs/dbraw/zinc/45/36/26/569453626.db2.gz PHKNVHBNCLZDCW-MRXNPFEDSA-N 0 0 439.585 3.513 50 0 IHAARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003543013 569453696 /nfs/dbraw/zinc/45/36/96/569453696.db2.gz DZQSWVYMPZLIRM-UHFFFAOYSA-N 0 0 434.279 3.628 50 0 IHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000003547543 569453741 /nfs/dbraw/zinc/45/37/41/569453741.db2.gz JVTSWVOMOXEPKU-UHFFFAOYSA-N 0 0 447.322 3.731 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003556676 569453930 /nfs/dbraw/zinc/45/39/30/569453930.db2.gz ZKCOVKAPYVGJSY-UHFFFAOYSA-N 0 0 428.941 3.569 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 ZINC000003565287 569454117 /nfs/dbraw/zinc/45/41/17/569454117.db2.gz AQUDVDMONLCBSL-LBPRGKRZSA-N 0 0 447.467 3.582 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000031179085 569454483 /nfs/dbraw/zinc/45/44/83/569454483.db2.gz ZJDBGXAKBSDXMN-CQSZACIVSA-N 0 0 447.507 3.527 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000003587238 569454539 /nfs/dbraw/zinc/45/45/39/569454539.db2.gz LMIBDLJRISYVTO-UHFFFAOYSA-N 0 0 446.488 3.892 50 0 IHAARN CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000003595148 569454699 /nfs/dbraw/zinc/45/46/99/569454699.db2.gz YXTHGYMFCOUBLI-HXUWFJFHSA-N 0 0 436.295 3.798 50 0 IHAARN CCOc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1OC ZINC000031195813 569454705 /nfs/dbraw/zinc/45/47/05/569454705.db2.gz NYKAIMSRUOQFIX-UHFFFAOYSA-N 0 0 425.266 3.971 50 0 IHAARN CCOC(=O)[C@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)Cc1ccccc1 ZINC000058438222 569454774 /nfs/dbraw/zinc/45/47/74/569454774.db2.gz LPSNALVBDRDNLI-FQEVSTJZSA-N 0 0 425.529 3.502 50 0 IHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(OC)c1 ZINC000003606821 569454896 /nfs/dbraw/zinc/45/48/96/569454896.db2.gz JRPBDJSKTRDSKN-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN CSCC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000031507556 569456629 /nfs/dbraw/zinc/45/66/29/569456629.db2.gz TUNDDBBNJMQVEH-KRWDZBQOSA-N 0 0 437.974 3.844 50 0 IHAARN Cc1cc(N2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)nc(C(C)C)n1 ZINC000031532370 569456696 /nfs/dbraw/zinc/45/66/96/569456696.db2.gz VAYWCOGIAHHNBI-UHFFFAOYSA-N 0 0 435.597 3.847 50 0 IHAARN COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000031662415 569456961 /nfs/dbraw/zinc/45/69/61/569456961.db2.gz QAIALEMUCQLMTF-UHFFFAOYSA-N 0 0 427.892 3.748 50 0 IHAARN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(Br)c1 ZINC000031721756 569457130 /nfs/dbraw/zinc/45/71/30/569457130.db2.gz OSAMGRLFLIRDMD-UHFFFAOYSA-N 0 0 444.372 3.966 50 0 IHAARN Cc1sc2[nH]c([C@@H](C)n3nnc(-c4ccc(Br)cc4)n3)nc(=O)c2c1C ZINC000031731646 569457147 /nfs/dbraw/zinc/45/71/47/569457147.db2.gz SOEQHMFGUUHDKR-SECBINFHSA-N 0 0 431.319 3.627 50 0 IHAARN Cc1ccc(-c2noc([C@H](C)N3CCN(Cn4nc5ccccn5c4=S)CC3)n2)cc1 ZINC000031784200 569457408 /nfs/dbraw/zinc/45/74/08/569457408.db2.gz QTYGPYBRWHRIIL-KRWDZBQOSA-N 0 0 435.557 3.560 50 0 IHAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 ZINC000031808278 569457574 /nfs/dbraw/zinc/45/75/74/569457574.db2.gz BRSJYZIMEDSRGM-XMMPIXPASA-N 0 0 430.508 3.981 50 0 IHAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 ZINC000031808283 569457628 /nfs/dbraw/zinc/45/76/28/569457628.db2.gz BRSJYZIMEDSRGM-DEOSSOPVSA-N 0 0 430.508 3.981 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000031812026 569457739 /nfs/dbraw/zinc/45/77/39/569457739.db2.gz WDTFLXNRSWSCJC-OAHLLOKOSA-N 0 0 445.430 3.641 50 0 IHAARN COc1ccc(CNC(=O)c2nc(-c3ccc(Cn4nc(C)cc4C)cc3)no2)cc1OC ZINC000032096179 569459902 /nfs/dbraw/zinc/45/99/02/569459902.db2.gz QEQDGBLUGOCFCD-UHFFFAOYSA-N 0 0 447.495 3.545 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 ZINC000032104710 569460175 /nfs/dbraw/zinc/46/01/75/569460175.db2.gz LMRRLRYRAUOIIY-UHFFFAOYSA-N 0 0 428.924 3.765 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43c4ccccc4N(C)C3=O)sc2c1 ZINC000032102884 569460195 /nfs/dbraw/zinc/46/01/95/569460195.db2.gz AAVXKQUVWCAZIV-QFIPXVFZSA-N 0 0 431.477 3.745 50 0 IHAARN COc1cc2cc([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2cc1OC ZINC000004171888 569460608 /nfs/dbraw/zinc/46/06/08/569460608.db2.gz WOHXGVWAACVQRU-HNNXBMFYSA-N 0 0 435.889 3.609 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1OC ZINC000032442033 569461731 /nfs/dbraw/zinc/46/17/31/569461731.db2.gz QWJLFONBVXSYJU-UHFFFAOYSA-N 0 0 427.522 3.899 50 0 IHAARN COC(=O)c1cnc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)s1 ZINC000032494102 569461869 /nfs/dbraw/zinc/46/18/69/569461869.db2.gz AMXFPCLYQXCKBD-ZDUSSCGKSA-N 0 0 430.313 3.630 50 0 IHAARN COc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2[C@@H](C)N2CCCCC2)cc1 ZINC000008132733 569462258 /nfs/dbraw/zinc/46/22/58/569462258.db2.gz DNMRWDXJIFDNDT-SJORKVTESA-N 0 0 431.606 3.828 50 0 IHAARN COc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2[C@@H](C)N2CCCCC2)cc1 ZINC000008132732 569462286 /nfs/dbraw/zinc/46/22/86/569462286.db2.gz DNMRWDXJIFDNDT-IAGOWNOFSA-N 0 0 431.606 3.828 50 0 IHAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)nn1-c1ccc(F)cc1 ZINC000038486465 569462791 /nfs/dbraw/zinc/46/27/91/569462791.db2.gz VNPBTQRQOSUAKC-UHFFFAOYSA-N 0 0 428.379 3.971 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1 ZINC000038486854 569462812 /nfs/dbraw/zinc/46/28/12/569462812.db2.gz JEMWJMRNFZCVRW-UHFFFAOYSA-N 0 0 448.483 3.923 50 0 IHAARN O=C(CCc1nnc2c3cc(-c4ccccc4)nn3ccn12)NCc1ccccc1Cl ZINC000038487036 569462860 /nfs/dbraw/zinc/46/28/60/569462860.db2.gz KXYCZLFZKCNRJR-UHFFFAOYSA-N 0 0 430.899 3.946 50 0 IHAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000038487351 569462912 /nfs/dbraw/zinc/46/29/12/569462912.db2.gz BYXQGFPRXVJRHG-UHFFFAOYSA-N 0 0 444.926 3.945 50 0 IHAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)N1CCn2c3ccccc3nc21 ZINC000038510142 569463149 /nfs/dbraw/zinc/46/31/49/569463149.db2.gz BXDGNDNRHNUZRI-UHFFFAOYSA-N 0 0 435.484 3.864 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000067197217 569464398 /nfs/dbraw/zinc/46/43/98/569464398.db2.gz LNBYGVUJNFKACA-UHFFFAOYSA-N 0 0 431.492 3.786 50 0 IHAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000067198660 569464438 /nfs/dbraw/zinc/46/44/38/569464438.db2.gz KMLOTISNYGMKNT-UHFFFAOYSA-N 0 0 442.313 3.937 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205071 569464589 /nfs/dbraw/zinc/46/45/89/569464589.db2.gz ZLJZZZMCDWNSHI-NRFANRHFSA-N 0 0 425.916 3.569 50 0 IHAARN COc1ccccc1CCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067205909 569464682 /nfs/dbraw/zinc/46/46/82/569464682.db2.gz PBLMMMUZZYIWGT-UHFFFAOYSA-N 0 0 435.480 3.813 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)ncn3n2)cc1 ZINC000067208943 569464753 /nfs/dbraw/zinc/46/47/53/569464753.db2.gz XKTYGTMZMXIBEC-UHFFFAOYSA-N 0 0 441.413 3.778 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1Cl ZINC000067226063 569465226 /nfs/dbraw/zinc/46/52/26/569465226.db2.gz PFUVWZUGGHPKEM-LBPRGKRZSA-N 0 0 431.949 3.690 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)c1 ZINC000067235802 569465388 /nfs/dbraw/zinc/46/53/88/569465388.db2.gz UINHEOLONVZKLN-UHFFFAOYSA-N 0 0 434.883 3.897 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 ZINC000067236806 569465426 /nfs/dbraw/zinc/46/54/26/569465426.db2.gz QQFRCCAOXGXDKG-UHFFFAOYSA-N 0 0 432.505 3.956 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 ZINC000067236339 569465447 /nfs/dbraw/zinc/46/54/47/569465447.db2.gz WWSCPKQCBJZQCM-UHFFFAOYSA-N 0 0 438.509 3.804 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c(OC)c1 ZINC000067237955 569465581 /nfs/dbraw/zinc/46/55/81/569465581.db2.gz XCUPARYQGFJUDP-UHFFFAOYSA-N 0 0 444.557 3.827 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000067238454 569465597 /nfs/dbraw/zinc/46/55/97/569465597.db2.gz QRFUXYSKXIZMRX-UHFFFAOYSA-N 0 0 430.530 3.581 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCOc2ccc(C)cc21 ZINC000067238482 569465635 /nfs/dbraw/zinc/46/56/35/569465635.db2.gz BLRVWGPDLVJTND-UHFFFAOYSA-N 0 0 426.542 3.659 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC ZINC000067238872 569465644 /nfs/dbraw/zinc/46/56/44/569465644.db2.gz YOHOAOVVBGWAGX-CQSZACIVSA-N 0 0 442.541 3.912 50 0 IHAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)cc1 ZINC000038655320 569465869 /nfs/dbraw/zinc/46/58/69/569465869.db2.gz YJWPILJLXPYXNJ-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1Nc1cc(C)cc(C)c1 ZINC000067246378 569465988 /nfs/dbraw/zinc/46/59/88/569465988.db2.gz UMMKFQRJGMAETE-UHFFFAOYSA-N 0 0 434.496 3.728 50 0 IHAARN O=S(=O)(c1nnn2c1nc(NCc1ccccc1F)c1ccccc12)c1ccccc1 ZINC000067261329 569466542 /nfs/dbraw/zinc/46/65/42/569466542.db2.gz QIJZRUDXLFYUHO-UHFFFAOYSA-N 0 0 433.468 3.862 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 ZINC000067261814 569466653 /nfs/dbraw/zinc/46/66/53/569466653.db2.gz UQKSCJHEEXDODX-MRXNPFEDSA-N 0 0 429.480 3.838 50 0 IHAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000067293783 569467781 /nfs/dbraw/zinc/46/77/81/569467781.db2.gz FZSQOZOCCRMFIG-ZRZCPFIBSA-N 0 0 438.480 3.600 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000038725760 569468296 /nfs/dbraw/zinc/46/82/96/569468296.db2.gz OZOJOQYQQPPVJS-ROUUACIJSA-N 0 0 433.335 3.847 50 0 IHAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067301654 569468303 /nfs/dbraw/zinc/46/83/03/569468303.db2.gz WJYBGZOFWQBIJW-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)Cn1c(=O)cc(-c3nc(C4CC4)no3)c3ccccc31)CCO2 ZINC000067317893 569468459 /nfs/dbraw/zinc/46/84/59/569468459.db2.gz FHEGPEHPAKLDLV-UHFFFAOYSA-N 0 0 442.475 3.663 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067319852 569468553 /nfs/dbraw/zinc/46/85/53/569468553.db2.gz MGXIOSQADXJBNC-UHFFFAOYSA-N 0 0 428.558 3.922 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000008661539 569469861 /nfs/dbraw/zinc/46/98/61/569469861.db2.gz KJIMBULJZUJOJV-LLVKDONJSA-N 0 0 447.351 3.689 50 0 IHAARN COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2nccn2C)c1 ZINC000008707650 569470639 /nfs/dbraw/zinc/47/06/39/569470639.db2.gz OSGCZHRVBCVOGC-NRFANRHFSA-N 0 0 443.569 3.803 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000008709247 569470733 /nfs/dbraw/zinc/47/07/33/569470733.db2.gz XBFGWORSNOHGFV-UHFFFAOYSA-N 0 0 435.958 3.808 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1 ZINC000008718017 569471276 /nfs/dbraw/zinc/47/12/76/569471276.db2.gz PWDFPSKACUKNLC-OAQYLSRUSA-N 0 0 444.940 3.754 50 0 IHAARN Cc1ccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000008718612 569471315 /nfs/dbraw/zinc/47/13/15/569471315.db2.gz UISVGMXVFIMPRT-UHFFFAOYSA-N 0 0 445.357 3.805 50 0 IHAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)[nH]c1Cc1ccccc1 ZINC000008720179 569471538 /nfs/dbraw/zinc/47/15/38/569471538.db2.gz YJNCXDCPOLAVJD-INIZCTEOSA-N 0 0 432.553 3.859 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000008720290 569471580 /nfs/dbraw/zinc/47/15/80/569471580.db2.gz UZGWOERJTOGEEP-AWEZNQCLSA-N 0 0 431.539 3.896 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)C3CCCCC3)ccc2C)c1 ZINC000008720257 569471609 /nfs/dbraw/zinc/47/16/09/569471609.db2.gz YCSYHAYNZCFYMG-UHFFFAOYSA-N 0 0 443.569 3.739 50 0 IHAARN c1ccc(-c2noc(CCCSc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1 ZINC000008720820 569471669 /nfs/dbraw/zinc/47/16/69/569471669.db2.gz IXNBBWOAMHSNIE-UHFFFAOYSA-N 0 0 448.552 3.879 50 0 IHAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008721392 569471710 /nfs/dbraw/zinc/47/17/10/569471710.db2.gz ZAAIMSGJZJEFOK-UHFFFAOYSA-N 0 0 437.462 3.954 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000008726152 569472228 /nfs/dbraw/zinc/47/22/28/569472228.db2.gz CUAVHGDENXTNCX-UHFFFAOYSA-N 0 0 441.988 3.925 50 0 IHAARN O=C(COc1cccc(Oc2ccccc2)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000008735941 569472722 /nfs/dbraw/zinc/47/27/22/569472722.db2.gz QAVHTCCOJTZGAB-IBGZPJMESA-N 0 0 429.538 3.816 50 0 IHAARN CCOC(=O)c1sc2nc(COC(=O)Cc3c(F)cccc3Cl)nc(N)c2c1C ZINC000008747396 569473100 /nfs/dbraw/zinc/47/31/00/569473100.db2.gz CSDUFHZVIKOYPG-UHFFFAOYSA-N 0 0 437.880 3.837 50 0 IHAARN CN1CC(=O)N(CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O ZINC000008749777 569473272 /nfs/dbraw/zinc/47/32/72/569473272.db2.gz HCKQABYIGZHCIQ-UHFFFAOYSA-N 0 0 446.301 3.854 50 0 IHAARN O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000008749056 569473290 /nfs/dbraw/zinc/47/32/90/569473290.db2.gz NLELDJXGWXERSR-OAHLLOKOSA-N 0 0 445.928 3.598 50 0 IHAARN CCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C)c1ccc(F)cc1 ZINC000008749948 569473341 /nfs/dbraw/zinc/47/33/41/569473341.db2.gz ULCCDFOPLPQKHT-UHFFFAOYSA-N 0 0 436.325 3.820 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000008754153 569473819 /nfs/dbraw/zinc/47/38/19/569473819.db2.gz FWOTWTPRXAEYRS-UHFFFAOYSA-N 0 0 426.494 3.747 50 0 IHAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)NCc1ccco1 ZINC000008754607 569473882 /nfs/dbraw/zinc/47/38/82/569473882.db2.gz HTAXEEKISVSDBJ-UHFFFAOYSA-N 0 0 428.492 3.829 50 0 IHAARN CCc1cccc(CC)c1NC(=O)c1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008763859 569474574 /nfs/dbraw/zinc/47/45/74/569474574.db2.gz MCDJBKHDWNPHPW-INIZCTEOSA-N 0 0 429.538 3.794 50 0 IHAARN COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000008770512 569475140 /nfs/dbraw/zinc/47/51/40/569475140.db2.gz KSTLZZRFTVZKEK-ATJXCDBQSA-N 0 0 442.928 3.573 50 0 IHAARN COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)cc2)cc1 ZINC000008771729 569475246 /nfs/dbraw/zinc/47/52/46/569475246.db2.gz HZXSBYXYXOBLLH-NRFANRHFSA-N 0 0 449.532 3.818 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008772350 569475296 /nfs/dbraw/zinc/47/52/96/569475296.db2.gz FNILJXJHCBPAAD-NRFANRHFSA-N 0 0 431.521 3.560 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008778244 569475453 /nfs/dbraw/zinc/47/54/53/569475453.db2.gz GFECFWDIQFPHCD-SFHVURJKSA-N 0 0 449.594 3.552 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCc2sccc2[C@H]1C1CC1 ZINC000008778579 569475555 /nfs/dbraw/zinc/47/55/55/569475555.db2.gz VCWKZZRGDRDZIS-JOCHJYFZSA-N 0 0 444.626 3.877 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000008783027 569475842 /nfs/dbraw/zinc/47/58/42/569475842.db2.gz QBYXNSNDXPZKOC-LLVKDONJSA-N 0 0 431.739 3.896 50 0 IHAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCCn4ccnc4)c(=O)oc12)CCCC3 ZINC000008791863 569476292 /nfs/dbraw/zinc/47/62/92/569476292.db2.gz XNMXREKGAUBKHR-UHFFFAOYSA-N 0 0 433.508 3.980 50 0 biogenic IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)c12)OC(C)(C)CC3 ZINC000008791919 569476318 /nfs/dbraw/zinc/47/63/18/569476318.db2.gz NGUSDKDYLGLUBN-UHFFFAOYSA-N 0 0 433.464 3.521 50 0 biogenic IHAARN CC1(C)CCc2c(cc(OCC(=O)NCc3cccnc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008792043 569476357 /nfs/dbraw/zinc/47/63/57/569476357.db2.gz CZMWFCVRVCIBEO-UHFFFAOYSA-N 0 0 448.519 3.866 50 0 biogenic IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000008825751 569477437 /nfs/dbraw/zinc/47/74/37/569477437.db2.gz DHXOAIZRVIWRPL-UHFFFAOYSA-N 0 0 445.834 3.625 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1C ZINC000008838481 569478306 /nfs/dbraw/zinc/47/83/06/569478306.db2.gz RDECXHSLDHRFLH-ZDUSSCGKSA-N 0 0 445.324 3.614 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000008845944 569478917 /nfs/dbraw/zinc/47/89/17/569478917.db2.gz KJDFUSFERFAAIP-NRFANRHFSA-N 0 0 426.428 3.720 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000008845943 569478933 /nfs/dbraw/zinc/47/89/33/569478933.db2.gz KJDFUSFERFAAIP-OAQYLSRUSA-N 0 0 426.428 3.720 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000008847984 569479151 /nfs/dbraw/zinc/47/91/51/569479151.db2.gz WMTOELXBTQEJCN-UHFFFAOYSA-N 0 0 441.487 3.738 50 0 IHAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cs2)cc1 ZINC000008851391 569479394 /nfs/dbraw/zinc/47/93/94/569479394.db2.gz MYXQPUATNOIDCT-UHFFFAOYSA-N 0 0 427.551 3.741 50 0 IHAARN COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000008855799 569479738 /nfs/dbraw/zinc/47/97/38/569479738.db2.gz WSDSXZOQBURJJE-UHFFFAOYSA-N 0 0 444.597 3.851 50 0 IHAARN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000008876333 569481119 /nfs/dbraw/zinc/48/11/19/569481119.db2.gz JJTCYRWWBGWERI-YCRNBWNJSA-N 0 0 445.629 3.728 50 0 biogenic IHAARN CC1(C)CCc2c(cc(OCC(=O)Nc3nccs3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008878973 569481309 /nfs/dbraw/zinc/48/13/09/569481309.db2.gz LPQFFTZCYXBAID-UHFFFAOYSA-N 0 0 426.494 3.859 50 0 biogenic IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCn3cnc4ccccc43)c2)c1 ZINC000039564082 569481783 /nfs/dbraw/zinc/48/17/83/569481783.db2.gz JMQFQLMBGJTIEI-UHFFFAOYSA-N 0 0 448.548 3.884 50 0 IHAARN CC1CCC(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000039639711 569481838 /nfs/dbraw/zinc/48/18/38/569481838.db2.gz KSJOLOPKRGCWDJ-CGNZLSCGSA-N 0 0 426.557 3.620 50 0 IHAARN CCn1c2ccc(C(=O)OCC(=O)c3cccc(Br)c3)cc2nc(C)c1=O ZINC000039977886 569482172 /nfs/dbraw/zinc/48/21/72/569482172.db2.gz RZTUNKJWKZGAJM-UHFFFAOYSA-N 0 0 429.270 3.527 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@@H](C)C2 ZINC000039981629 569482258 /nfs/dbraw/zinc/48/22/58/569482258.db2.gz LDSIEGNOAQVYSO-LAUBAEHRSA-N 0 0 448.519 3.659 50 0 IHAARN O=C(CCC(=O)c1ccc(Br)cc1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000040013530 569482558 /nfs/dbraw/zinc/48/25/58/569482558.db2.gz DMOQYONVLBXPLY-UHFFFAOYSA-N 0 0 443.341 3.833 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000040025000 569482787 /nfs/dbraw/zinc/48/27/87/569482787.db2.gz BTBJYRVOIKYQLH-GKVSMKOHSA-N 0 0 433.508 3.747 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000040024938 569482841 /nfs/dbraw/zinc/48/28/41/569482841.db2.gz OGDQLEQAENFLNM-UHFFFAOYSA-N 0 0 434.452 3.901 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CNC(=O)NCc1ccccc1 ZINC000040040453 569483432 /nfs/dbraw/zinc/48/34/32/569483432.db2.gz VQVMPUGZFJKVAB-LJQANCHMSA-N 0 0 444.535 3.958 50 0 IHAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000040046923 569483610 /nfs/dbraw/zinc/48/36/10/569483610.db2.gz DQNWQXMPPCFQNJ-UHFFFAOYSA-N 0 0 447.377 3.917 50 0 IHAARN COc1ccc(CNC(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1OC ZINC000008899618 569484060 /nfs/dbraw/zinc/48/40/60/569484060.db2.gz MHIZXTWCGOCRQH-UHFFFAOYSA-N 0 0 449.532 3.767 50 0 IHAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)no2)cc1 ZINC000040050112 569484187 /nfs/dbraw/zinc/48/41/87/569484187.db2.gz ZAWGSPPVSRBZKU-FQEVSTJZSA-N 0 0 441.285 3.775 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCc2ccccc21 ZINC000008901473 569484280 /nfs/dbraw/zinc/48/42/80/569484280.db2.gz MWLSPXSVVXFGLY-WMZOPIPTSA-N 0 0 435.549 3.645 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccsc2)Cc2ccco2)cc1 ZINC000040050830 569484308 /nfs/dbraw/zinc/48/43/08/569484308.db2.gz WDNPBDQLVNCIBP-UHFFFAOYSA-N 0 0 448.566 3.589 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040057766 569484630 /nfs/dbraw/zinc/48/46/30/569484630.db2.gz IQJJHOLSSSVYCJ-HOTGVXAUSA-N 0 0 428.407 3.506 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)cc1 ZINC000008908251 569484697 /nfs/dbraw/zinc/48/46/97/569484697.db2.gz UDPWESIHGRTCEF-OAHLLOKOSA-N 0 0 440.550 3.831 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 ZINC000040059509 569484742 /nfs/dbraw/zinc/48/47/42/569484742.db2.gz RNWVZSNVSQZITC-UHFFFAOYSA-N 0 0 441.513 3.765 50 0 IHAARN O=C(NCc1ccccc1Br)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000008911603 569484895 /nfs/dbraw/zinc/48/48/95/569484895.db2.gz QALRDWMNCAJCTL-OAHLLOKOSA-N 0 0 446.374 3.624 50 0 IHAARN COc1ccc2c(c1)sc1ncc(C(=O)NCCc3ccc(SC)cc3)c(=O)n21 ZINC000008911948 569484934 /nfs/dbraw/zinc/48/49/34/569484934.db2.gz ZJDDRULOBGHRML-UHFFFAOYSA-N 0 0 425.535 3.612 50 0 IHAARN C=C1C(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008912012 569484973 /nfs/dbraw/zinc/48/49/73/569484973.db2.gz CPJQBORFVMSWRJ-MRXNPFEDSA-N 0 0 443.613 3.747 50 0 IHAARN CCN(Cc1ccc(Br)s1)C(=O)C[C@@H](NC(N)=O)c1ccccc1F ZINC000040071997 569485851 /nfs/dbraw/zinc/48/58/51/569485851.db2.gz INLUXBJSCDASPM-CQSZACIVSA-N 0 0 428.327 3.798 50 0 IHAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3nc4ccccc4s3)cc(C(C)C)nc21 ZINC000040072548 569485961 /nfs/dbraw/zinc/48/59/61/569485961.db2.gz GDKPFVIYKVOXQH-UHFFFAOYSA-N 0 0 438.509 3.585 50 0 IHAARN O=C(c1ccc(Br)cc1)N(C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008917413 569486019 /nfs/dbraw/zinc/48/60/19/569486019.db2.gz UIQQJKCBRKHTIM-QTWIXLPOSA-N 0 0 434.355 3.792 50 0 IHAARN O=C(NCc1cccnc1OC1CCCC1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000040089419 569487080 /nfs/dbraw/zinc/48/70/80/569487080.db2.gz OLQLRFYGWNMOAG-UHFFFAOYSA-N 0 0 425.510 3.528 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000008924931 569487199 /nfs/dbraw/zinc/48/71/99/569487199.db2.gz AEEFMQWKNRTLNJ-HXUWFJFHSA-N 0 0 447.516 3.996 50 0 IHAARN Cn1c(Oc2ccc(-c3ccccc3)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C ZINC000008926258 569487232 /nfs/dbraw/zinc/48/72/32/569487232.db2.gz SEGKANOUWLOYFQ-UHFFFAOYSA-N 0 0 438.487 3.941 50 0 IHAARN CCS(=O)(=O)N(C)CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040094793 569487477 /nfs/dbraw/zinc/48/74/77/569487477.db2.gz LFTGUFQMWOECQB-UHFFFAOYSA-N 0 0 428.476 3.774 50 0 IHAARN Cn1ncc2c1ncnc2N1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000040099110 569487582 /nfs/dbraw/zinc/48/75/82/569487582.db2.gz KMJXPXWKCZNMNI-UHFFFAOYSA-N 0 0 429.484 3.510 50 0 IHAARN CC1=CC=CN2C(=O)[C@@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)N=C12 ZINC000008932000 569487631 /nfs/dbraw/zinc/48/76/31/569487631.db2.gz QMTXBKXRPPYIEJ-JOCHJYFZSA-N 0 0 436.309 3.832 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCc1ccc(F)cc1 ZINC000008933044 569487762 /nfs/dbraw/zinc/48/77/62/569487762.db2.gz JJEWLLWYTVOSAA-UHFFFAOYSA-N 0 0 440.478 3.855 50 0 IHAARN Cc1csc(=O)n1CCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040107177 569488438 /nfs/dbraw/zinc/48/84/38/569488438.db2.gz SGIKDSLACPBMJB-LJQANCHMSA-N 0 0 427.595 3.586 50 0 IHAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000008941735 569488632 /nfs/dbraw/zinc/48/86/32/569488632.db2.gz QLMMSVLKFSBQSU-SFHVURJKSA-N 0 0 438.549 3.848 50 0 IHAARN CC(C)(CNC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(Br)cc1 ZINC000040113416 569488999 /nfs/dbraw/zinc/48/89/99/569488999.db2.gz HJSALGCGTDFGLG-UHFFFAOYSA-N 0 0 429.318 3.921 50 0 IHAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000069055328 569489946 /nfs/dbraw/zinc/48/99/46/569489946.db2.gz XIWGDCTZSSOIRY-LBMSDSGBSA-N 0 0 426.542 3.586 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)NCc1ccc(F)cc1)c2=O ZINC000008955800 569490184 /nfs/dbraw/zinc/49/01/84/569490184.db2.gz ICQHMSCLUJAHNP-UHFFFAOYSA-N 0 0 436.512 3.901 50 0 IHAARN CCOc1ccccc1NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000040135413 569490665 /nfs/dbraw/zinc/49/06/65/569490665.db2.gz VOJVDSHTGDFPIE-UHFFFAOYSA-N 0 0 431.920 3.734 50 0 IHAARN CCCCCOc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000008964465 569491299 /nfs/dbraw/zinc/49/12/99/569491299.db2.gz HLGFEKDHPNYQTH-WVXKDWSHSA-N 0 0 435.517 3.591 50 0 biogenic IHAARN C[C@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc2ccccc2c1 ZINC000008966121 569491669 /nfs/dbraw/zinc/49/16/69/569491669.db2.gz VWKVKWZULGDCHU-KRWDZBQOSA-N 0 0 433.508 3.698 50 0 IHAARN CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 ZINC000008966002 569491671 /nfs/dbraw/zinc/49/16/71/569491671.db2.gz WQVUMJWWRMDRCY-VWLOTQADSA-N 0 0 449.507 3.618 50 0 IHAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)CCn2c(C)csc2=O)cs1 ZINC000008966351 569491796 /nfs/dbraw/zinc/49/17/96/569491796.db2.gz MEXWDWFXYLFRQB-UHFFFAOYSA-N 0 0 447.538 3.501 50 0 IHAARN Cc1ccnc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000040147010 569492417 /nfs/dbraw/zinc/49/24/17/569492417.db2.gz CFVZQHXTNIIQOR-UHFFFAOYSA-N 0 0 426.567 3.995 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040149831 569492695 /nfs/dbraw/zinc/49/26/95/569492695.db2.gz GQGQQWYRTQYQDH-FQEVSTJZSA-N 0 0 432.904 3.815 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1F ZINC000008977282 569492999 /nfs/dbraw/zinc/49/29/99/569492999.db2.gz JCDKSZDLHVHQIL-UHFFFAOYSA-N 0 0 446.525 3.895 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008979644 569493108 /nfs/dbraw/zinc/49/31/08/569493108.db2.gz KULCHSFIIPXIKR-IBGZPJMESA-N 0 0 432.549 3.774 50 0 IHAARN COc1ccc(Br)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000008985195 569494773 /nfs/dbraw/zinc/49/47/73/569494773.db2.gz DSPDZSOMYWPJRB-UHFFFAOYSA-N 0 0 441.347 3.739 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000008988535 569494930 /nfs/dbraw/zinc/49/49/30/569494930.db2.gz LIFRBWNJQFYJGK-UHFFFAOYSA-N 0 0 446.916 3.588 50 0 IHAARN COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC000008988192 569494952 /nfs/dbraw/zinc/49/49/52/569494952.db2.gz UBAVIMYNZVRULR-QGZVFWFLSA-N 0 0 445.368 3.621 50 0 IHAARN O=C(Cn1c2ccccc2nc1[C@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCCC1 ZINC000009002101 569496039 /nfs/dbraw/zinc/49/60/39/569496039.db2.gz WRDZPYCQFGLHQD-NRFANRHFSA-N 0 0 430.552 3.607 50 0 IHAARN O=C(/C=C\c1ccccc1)NCCn1ncc2c1ncn(Cc1cccc3ccccc31)c2=O ZINC000009016554 569496830 /nfs/dbraw/zinc/49/68/30/569496830.db2.gz LOHFFGHHSKDYPH-YPKPFQOOSA-N 0 0 449.514 3.624 50 0 IHAARN Cc1c(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)c(C(N)=O)nn1C ZINC000040267119 569497418 /nfs/dbraw/zinc/49/74/18/569497418.db2.gz NENLBLVKQJPNPH-UHFFFAOYSA-N 0 0 427.917 3.798 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1ccc2c(c1)CCCC2 ZINC000009056266 569498979 /nfs/dbraw/zinc/49/89/79/569498979.db2.gz XFUCPRGRXSBKJA-CQSZACIVSA-N 0 0 425.533 3.646 50 0 IHAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009058088 569499241 /nfs/dbraw/zinc/49/92/41/569499241.db2.gz BXWKEHRSVWPMRH-UHFFFAOYSA-N 0 0 432.973 3.976 50 0 IHAARN CCOC(=O)CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355809 569499902 /nfs/dbraw/zinc/49/99/02/569499902.db2.gz SCAPHMJTFOKSBD-UHFFFAOYSA-N 0 0 430.313 3.775 50 0 IHAARN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355166 569499763 /nfs/dbraw/zinc/49/97/63/569499763.db2.gz BFSORYOKTFDQGW-UHFFFAOYSA-N 0 0 426.517 3.739 50 0 IHAARN O=c1/c(=C/c2ccncc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000009111407 569502293 /nfs/dbraw/zinc/50/22/93/569502293.db2.gz ATXHTPXZIHDDQC-PZHBDVNGSA-N 0 0 427.554 3.775 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccco3)Cc3ccccc3)C(=O)[C@H]2C)cc1 ZINC000009112252 569502398 /nfs/dbraw/zinc/50/23/98/569502398.db2.gz KIWCIOTZICFWME-LJQANCHMSA-N 0 0 431.492 3.974 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(C)c3)o2)cc1OC ZINC000009115372 569502678 /nfs/dbraw/zinc/50/26/78/569502678.db2.gz IJWODQDYEHIMAV-PMERELPUSA-N 0 0 427.522 3.886 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)c(OC)c1 ZINC000009115490 569502759 /nfs/dbraw/zinc/50/27/59/569502759.db2.gz BIYHUYDLDOXNSS-PMERELPUSA-N 0 0 427.522 3.886 50 0 IHAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2csc(NC(=O)c3cccc(Cl)c3)n2)C1 ZINC000040428185 569503208 /nfs/dbraw/zinc/50/32/08/569503208.db2.gz XDMSOHMRJVETNO-OAHLLOKOSA-N 0 0 448.976 3.769 50 0 IHAARN CN1OC[C@H](S(=O)(=O)NCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000245328882 569504096 /nfs/dbraw/zinc/50/40/96/569504096.db2.gz QNXHNVLMCWGPBQ-BJKOFHAPSA-N 0 0 438.549 3.672 50 0 IHAARN COc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccco2)c1 ZINC000009126937 569505080 /nfs/dbraw/zinc/50/50/80/569505080.db2.gz LVCIYSWQFMRVPI-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1Cc1ccco1 ZINC000009129351 569505701 /nfs/dbraw/zinc/50/57/01/569505701.db2.gz QMOMYSQRRPKUHC-HSZRJFAPSA-N 0 0 437.521 3.774 50 0 IHAARN CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccc(Cl)cc1 ZINC000009130411 569506043 /nfs/dbraw/zinc/50/60/43/569506043.db2.gz OFTUPFUZFXWKSW-IBGZPJMESA-N 0 0 425.920 3.560 50 0 IHAARN CCOC(=O)Cn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)ccc21 ZINC000069414227 569506206 /nfs/dbraw/zinc/50/62/06/569506206.db2.gz ALDGFXUPHPSLCI-INIZCTEOSA-N 0 0 439.899 3.849 50 0 IHAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450479 569506322 /nfs/dbraw/zinc/50/63/22/569506322.db2.gz MVIRLISNZCQGLC-LRDDRELGSA-N 0 0 441.391 3.605 50 0 IHAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)c(C)o1 ZINC000069458933 569506617 /nfs/dbraw/zinc/50/66/17/569506617.db2.gz FTLXJEWJKJJADO-UHFFFAOYSA-N 0 0 436.468 3.732 50 0 IHAARN COc1cccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)c1 ZINC000009131696 569506940 /nfs/dbraw/zinc/50/69/40/569506940.db2.gz CYAUTUCXZHVDKY-SFHVURJKSA-N 0 0 439.512 3.932 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009132479 569507008 /nfs/dbraw/zinc/50/70/08/569507008.db2.gz GCBYVUAVCFYQOZ-MRXNPFEDSA-N 0 0 435.505 3.513 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc1O2 ZINC000009135115 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COc1ccc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)c(OC)c1 ZINC000009639964 569555266 /nfs/dbraw/zinc/55/52/66/569555266.db2.gz DOWUGYJXSQJUPA-UHFFFAOYSA-N 0 0 425.510 3.597 50 0 IHAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCCOC(C)C)Cc4ccco4)c3c2c1 ZINC000009641088 569555559 /nfs/dbraw/zinc/55/55/59/569555559.db2.gz VQJYLFURBFHQQK-UHFFFAOYSA-N 0 0 437.496 3.888 50 0 IHAARN O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)Nc1ccc(Cl)cc1 ZINC000009640924 569555587 /nfs/dbraw/zinc/55/55/87/569555587.db2.gz CRCXMERAPGJDHS-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN CC1CCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)CC1 ZINC000009641295 569555605 /nfs/dbraw/zinc/55/56/05/569555605.db2.gz VCXCFVYMKJDNTI-UHFFFAOYSA-N 0 0 439.585 3.733 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000009645946 569556200 /nfs/dbraw/zinc/55/62/00/569556200.db2.gz FRIKFYHXRDAGPU-UHFFFAOYSA-N 0 0 444.534 3.677 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nn1 ZINC000009650601 569556535 /nfs/dbraw/zinc/55/65/35/569556535.db2.gz VWPRXRGOLFICMG-UHFFFAOYSA-N 0 0 445.566 3.663 50 0 IHAARN O=C(NCc1ccco1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663761 569557285 /nfs/dbraw/zinc/55/72/85/569557285.db2.gz GASORTPXGDEGKK-UHFFFAOYSA-N 0 0 442.450 3.849 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000009664567 569557440 /nfs/dbraw/zinc/55/74/40/569557440.db2.gz COAJSFPTFPAHHY-IBGZPJMESA-N 0 0 440.714 3.730 50 0 IHAARN Cn1nc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccccc2c1=O ZINC000009664609 569557459 /nfs/dbraw/zinc/55/74/59/569557459.db2.gz JWBZCTMCPOUNEA-OAQYLSRUSA-N 0 0 431.423 3.609 50 0 IHAARN CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009669452 569558042 /nfs/dbraw/zinc/55/80/42/569558042.db2.gz YMQYAIHPPSFDDD-FOIQADDNSA-N 0 0 440.521 3.582 50 0 IHAARN CCCCn1c(COC(=O)c2ccc(Cl)s2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009670086 569558237 /nfs/dbraw/zinc/55/82/37/569558237.db2.gz GAILFWDUEQOOJG-UHFFFAOYSA-N 0 0 427.935 3.556 50 0 IHAARN COc1cc(CN(C)C(=O)c2n[nH]c(=O)c3ccccc32)ccc1OCc1ccccc1 ZINC000009670607 569558349 /nfs/dbraw/zinc/55/83/49/569558349.db2.gz AKHVRPBGLUCNDW-UHFFFAOYSA-N 0 0 429.476 3.783 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c(C)n1Cc1ccco1 ZINC000009670729 569558403 /nfs/dbraw/zinc/55/84/03/569558403.db2.gz CJVYPIZVPIIXDZ-UHFFFAOYSA-N 0 0 443.521 3.645 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009671048 569558452 /nfs/dbraw/zinc/55/84/52/569558452.db2.gz RYTIMPUMCUAMMI-OAQYLSRUSA-N 0 0 432.476 3.507 50 0 IHAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3F)cc2C1=O ZINC000009670881 569558458 /nfs/dbraw/zinc/55/84/58/569558458.db2.gz JTRXIHZYVHLVCK-UHFFFAOYSA-N 0 0 446.862 3.917 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C ZINC000009671295 569558485 /nfs/dbraw/zinc/55/84/85/569558485.db2.gz SCFCEIFLAWDBOH-LLVKDONJSA-N 0 0 427.526 3.587 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@@H]2c2ccccc2F)C1=O ZINC000009671851 569558678 /nfs/dbraw/zinc/55/86/78/569558678.db2.gz YGUUTTDEXUENTQ-OFNKIYASSA-N 0 0 441.528 3.647 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccc(F)cc1 ZINC000009673913 569559036 /nfs/dbraw/zinc/55/90/36/569559036.db2.gz BNDHTURTNIQCMR-UHFFFAOYSA-N 0 0 438.843 3.662 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)NCCCN(CC)c3cccc(C)c3)cc2C[C@@H]1C ZINC000009676647 569559436 /nfs/dbraw/zinc/55/94/36/569559436.db2.gz JWFYFCUIMBFQQQ-IBGZPJMESA-N 0 0 443.613 3.878 50 0 IHAARN CCCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1O ZINC000009680200 569560118 /nfs/dbraw/zinc/56/01/18/569560118.db2.gz IKQBYDIEKJKVDR-UHFFFAOYSA-N 0 0 441.553 3.982 50 0 IHAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccc5c(c4)OCO5)cc3c2=O)cc1 ZINC000009686059 569560711 /nfs/dbraw/zinc/56/07/11/569560711.db2.gz YKPZKMOCROSXIQ-UHFFFAOYSA-N 0 0 443.459 3.743 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)cc1 ZINC000009689971 569560886 /nfs/dbraw/zinc/56/08/86/569560886.db2.gz CPSXXCUULFOHKD-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN CCOc1ccc(CCNC(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)cc1OCC ZINC000009693039 569561151 /nfs/dbraw/zinc/56/11/51/569561151.db2.gz AZVVLSODVAVYRG-UHFFFAOYSA-N 0 0 433.508 3.790 50 0 IHAARN O=C1CCCCCN1Cc1nnc(SCc2cn3ccccc3n2)n1-c1ccccn1 ZINC000009701592 569561266 /nfs/dbraw/zinc/56/12/66/569561266.db2.gz SDFQFXPRHKCNHS-UHFFFAOYSA-N 0 0 433.541 3.505 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 ZINC000009704283 569561504 /nfs/dbraw/zinc/56/15/04/569561504.db2.gz VFVQHCOKISLAEX-UHFFFAOYSA-N 0 0 439.537 3.893 50 0 IHAARN CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1 ZINC000009708646 569561928 /nfs/dbraw/zinc/56/19/28/569561928.db2.gz PNUCXFSENRRZCA-OAHLLOKOSA-N 0 0 442.537 3.841 50 0 IHAARN O=C(COc1ccc(Br)cc1F)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009709135 569561987 /nfs/dbraw/zinc/56/19/87/569561987.db2.gz BJRBVEANXYLODP-UHFFFAOYSA-N 0 0 432.253 3.594 50 0 IHAARN COc1ccc(CCNC(=O)CSc2ccc3nc(-c4ccccc4)cn3n2)cc1OC ZINC000009712886 569562386 /nfs/dbraw/zinc/56/23/86/569562386.db2.gz PEXBMZVIZLLBLA-UHFFFAOYSA-N 0 0 448.548 3.865 50 0 IHAARN NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009714749 569562853 /nfs/dbraw/zinc/56/28/53/569562853.db2.gz USNZUAKKDNJBMT-UHFFFAOYSA-N 0 0 435.461 3.585 50 0 IHAARN NC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009714848 569562950 /nfs/dbraw/zinc/56/29/50/569562950.db2.gz QQSAYCPAVQPILY-UHFFFAOYSA-N 0 0 435.914 3.554 50 0 IHAARN COCCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000009716012 569563162 /nfs/dbraw/zinc/56/31/62/569563162.db2.gz QBKZYCSRGZMWDZ-UHFFFAOYSA-N 0 0 443.297 3.584 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 ZINC000009720674 569563311 /nfs/dbraw/zinc/56/33/11/569563311.db2.gz OAMCYGYOVJLUPD-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000009722768 569563470 /nfs/dbraw/zinc/56/34/70/569563470.db2.gz WDOYZPZGJDRHKF-UHFFFAOYSA-N 0 0 437.953 3.562 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000009724182 569563666 /nfs/dbraw/zinc/56/36/66/569563666.db2.gz DCPCITUYWWVBOZ-NRFANRHFSA-N 0 0 440.883 3.913 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NCC3CCN(c4nc5ccccc5o4)CC3)c2O1 ZINC000070932341 569564140 /nfs/dbraw/zinc/56/41/40/569564140.db2.gz KCCURHNLDJQFRD-UHFFFAOYSA-N 0 0 435.524 3.953 50 0 IHAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000070933779 569564158 /nfs/dbraw/zinc/56/41/58/569564158.db2.gz AMLGLFZINYVWGR-UHFFFAOYSA-N 0 0 443.356 3.611 50 0 IHAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000009729290 569564199 /nfs/dbraw/zinc/56/41/99/569564199.db2.gz ACEIYHKEFXXJJU-QGZVFWFLSA-N 0 0 425.489 3.708 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1OC ZINC000009737892 569564830 /nfs/dbraw/zinc/56/48/30/569564830.db2.gz PSYQGMKKPRIKCQ-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000009740512 569565133 /nfs/dbraw/zinc/56/51/33/569565133.db2.gz AESQSBIBEIKFDP-LJQANCHMSA-N 0 0 439.942 3.735 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000009742619 569565424 /nfs/dbraw/zinc/56/54/24/569565424.db2.gz WGUZXJOCJLLOQO-HNNXBMFYSA-N 0 0 448.012 3.957 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1cc(F)ccc1F ZINC000009742555 569565448 /nfs/dbraw/zinc/56/54/48/569565448.db2.gz LRLNAVPFBBECQD-HNNXBMFYSA-N 0 0 449.547 3.581 50 0 IHAARN O=C(COc1cccc2c1CCNC2=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000009743405 569565470 /nfs/dbraw/zinc/56/54/70/569565470.db2.gz VLTBGRZMHIKUOV-HXUWFJFHSA-N 0 0 449.507 3.930 50 0 IHAARN O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NCc1ccc(F)cc1 ZINC000009743719 569565561 /nfs/dbraw/zinc/56/55/61/569565561.db2.gz YDSSLGNTBKJLFO-UHFFFAOYSA-N 0 0 435.481 3.869 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)NC2CCCCC2)ccc1F ZINC000009748384 569565918 /nfs/dbraw/zinc/56/59/18/569565918.db2.gz SKZBISLPMBRSLR-GOSISDBHSA-N 0 0 425.570 3.699 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009749019 569565958 /nfs/dbraw/zinc/56/59/58/569565958.db2.gz WGWWEVVDZGTUBQ-UHFFFAOYSA-N 0 0 444.520 3.673 50 0 IHAARN COc1cccc(NC(=O)CSc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)c1 ZINC000009761397 569566187 /nfs/dbraw/zinc/56/61/87/569566187.db2.gz PCKLMFJRYCFIAJ-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)cc1 ZINC000009761497 569566268 /nfs/dbraw/zinc/56/62/68/569566268.db2.gz WMPKRMHJTZTUGC-UHFFFAOYSA-N 0 0 444.354 3.712 50 0 IHAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nnc(C(=O)NCC(F)(F)F)n3)cc2)cc1 ZINC000071004566 569566591 /nfs/dbraw/zinc/56/65/91/569566591.db2.gz HCURNOMWSDJLOL-UHFFFAOYSA-N 0 0 446.433 3.504 50 0 IHAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000009765560 569566821 /nfs/dbraw/zinc/56/68/21/569566821.db2.gz DQLIKKANESXBIC-IRXDYDNUSA-N 0 0 433.533 3.658 50 0 IHAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N(C)C ZINC000009765669 569566828 /nfs/dbraw/zinc/56/68/28/569566828.db2.gz YRFKHSGYRKYSEO-QHCPKHFHSA-N 0 0 438.549 3.773 50 0 IHAARN COc1ccc(-c2cc3ncnc(Sc4nnnn4C[C@@H]4CCCO4)c3s2)cc1 ZINC000009779248 569567381 /nfs/dbraw/zinc/56/73/81/569567381.db2.gz KREZXJCVJYJZQE-AWEZNQCLSA-N 0 0 426.527 3.684 50 0 IHAARN CCc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)n[nH]2)cc1 ZINC000009780299 569567423 /nfs/dbraw/zinc/56/74/23/569567423.db2.gz BZFYHWXHIVKOPW-UHFFFAOYSA-N 0 0 439.932 3.999 50 0 IHAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009782770 569567719 /nfs/dbraw/zinc/56/77/19/569567719.db2.gz VGMLKTCGBILGQO-UHFFFAOYSA-N 0 0 444.944 3.622 50 0 IHAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009782663 569567752 /nfs/dbraw/zinc/56/77/52/569567752.db2.gz MCGFOBHYYGCSQL-UHFFFAOYSA-N 0 0 435.509 3.754 50 0 IHAARN O=C(CSc1ncnc2cc(-c3ccc(Br)cc3)sc21)N1CCNC1=O ZINC000009783702 569567831 /nfs/dbraw/zinc/56/78/31/569567831.db2.gz IBZKMSSGNSUECB-UHFFFAOYSA-N 0 0 449.355 3.765 50 0 IHAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009789133 569568048 /nfs/dbraw/zinc/56/80/48/569568048.db2.gz CKGXORUBYNHKTH-UHFFFAOYSA-N 0 0 433.439 3.890 50 0 IHAARN Cn1c2nc3oc(-c4ccccc4)cn3c2c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000009789625 569568128 /nfs/dbraw/zinc/56/81/28/569568128.db2.gz OPSLDXIOSFRWMW-UHFFFAOYSA-N 0 0 441.274 3.963 50 0 IHAARN Cn1c2nc3oc(-c4ccc(Cl)cc4)cn3c2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000009789761 569568198 /nfs/dbraw/zinc/56/81/98/569568198.db2.gz OVIHPHKBWSOQST-UHFFFAOYSA-N 0 0 441.274 3.963 50 0 IHAARN O=C(CSc1ccc2ccccc2n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009793507 569568309 /nfs/dbraw/zinc/56/83/09/569568309.db2.gz GUOXXTLAYNPXGS-IBGZPJMESA-N 0 0 426.563 3.543 50 0 IHAARN COc1ccc(C)cc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 ZINC000009793042 569568350 /nfs/dbraw/zinc/56/83/50/569568350.db2.gz XZMDGPWHECILGJ-OAHLLOKOSA-N 0 0 444.582 3.700 50 0 IHAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009795121 569568390 /nfs/dbraw/zinc/56/83/90/569568390.db2.gz IXVXWTVRBAYVNC-LJQANCHMSA-N 0 0 442.972 3.899 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)ccc21 ZINC000009797558 569568512 /nfs/dbraw/zinc/56/85/12/569568512.db2.gz COERZNLAMHIJPU-UHFFFAOYSA-N 0 0 434.561 3.961 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccco2)cc1 ZINC000009834487 569570554 /nfs/dbraw/zinc/57/05/54/569570554.db2.gz NYULMHATRUEKOR-QHCPKHFHSA-N 0 0 438.549 3.973 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009834379 569570579 /nfs/dbraw/zinc/57/05/79/569570579.db2.gz PGJUOOYELLAIQR-OAQYLSRUSA-N 0 0 430.439 3.815 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4cccnc4)n3C3CC3)n2)cc1 ZINC000009835664 569570710 /nfs/dbraw/zinc/57/07/10/569570710.db2.gz PMQJYNVZIBBSJG-UHFFFAOYSA-N 0 0 431.529 3.787 50 0 IHAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(-n4cnnn4)cc3)c2n1 ZINC000009836794 569570778 /nfs/dbraw/zinc/57/07/78/569570778.db2.gz UUGOUWYFQWKWPX-UHFFFAOYSA-N 0 0 429.267 3.843 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccncc3)cs2)ccc1F ZINC000009868978 569572352 /nfs/dbraw/zinc/57/23/52/569572352.db2.gz BMRASIFTVLFNRN-UHFFFAOYSA-N 0 0 434.518 3.627 50 0 IHAARN COc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c(OC)c1 ZINC000009872603 569572508 /nfs/dbraw/zinc/57/25/08/569572508.db2.gz UEPPTFTXRGRQJH-UHFFFAOYSA-N 0 0 443.887 3.955 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009884401 569572716 /nfs/dbraw/zinc/57/27/16/569572716.db2.gz MROKLWVYFRNZAJ-MRXNPFEDSA-N 0 0 440.927 3.713 50 0 IHAARN COc1cccc2c1ccn2CCC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000071280334 569573584 /nfs/dbraw/zinc/57/35/84/569573584.db2.gz MAAZITFTRVKIQX-UHFFFAOYSA-N 0 0 427.526 3.609 50 0 IHAARN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc2sc(NCc4ccccc4)nn2c3=O)C1 ZINC000009939900 569573920 /nfs/dbraw/zinc/57/39/20/569573920.db2.gz BTNIPBYEXUHMPJ-OAHLLOKOSA-N 0 0 433.537 3.788 50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000009940192 569573936 /nfs/dbraw/zinc/57/39/36/569573936.db2.gz BBLUQDPOZWNJTF-ZWKOTPCHSA-N 0 0 425.337 3.910 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 ZINC000009951099 569574427 /nfs/dbraw/zinc/57/44/27/569574427.db2.gz MIUIDOOSSKHJBW-HNNXBMFYSA-N 0 0 432.505 3.588 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC[C@@H]1c1ccccc1 ZINC000009956959 569574802 /nfs/dbraw/zinc/57/48/02/569574802.db2.gz KFNJLEVZRIKSQP-OAQYLSRUSA-N 0 0 434.508 3.729 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@@H]1c1ccccc1 ZINC000009957540 569574803 /nfs/dbraw/zinc/57/48/03/569574803.db2.gz DIJUDEAMDASESJ-HXUWFJFHSA-N 0 0 434.508 3.729 50 0 IHAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(C)ccc3C)C3=C2C(=O)OC3)cc1 ZINC000071326858 569575010 /nfs/dbraw/zinc/57/50/10/569575010.db2.gz YRPMTGSDSMXHJK-NRFANRHFSA-N 0 0 437.521 3.541 50 0 IHAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3Cl)C3=C2C(=O)OC3)cc1 ZINC000071326794 569575034 /nfs/dbraw/zinc/57/50/34/569575034.db2.gz ICHDNWOBOCJZJL-LJQANCHMSA-N 0 0 443.912 3.578 50 0 IHAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1CC(=O)Nc1ccc(C)c(F)c1 ZINC000071326977 569575040 /nfs/dbraw/zinc/57/50/40/569575040.db2.gz NTAKNGNIFQSZES-UHFFFAOYSA-N 0 0 435.381 3.944 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1Cl ZINC000071327241 569575237 /nfs/dbraw/zinc/57/52/37/569575237.db2.gz QTMGXKOOSNEYDS-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN CCCn1c2sc3c(c2c(=O)n(-c2ccc(CC)cc2)c1=O)CCN(C(=O)OCC)C3 ZINC000009960251 569575360 /nfs/dbraw/zinc/57/53/60/569575360.db2.gz UHGBARGEQAQPPV-UHFFFAOYSA-N 0 0 441.553 3.701 50 0 IHAARN O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000071328229 569575538 /nfs/dbraw/zinc/57/55/38/569575538.db2.gz NMKNYEFYBKRAEH-UHFFFAOYSA-N 0 0 443.551 3.834 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)CC2)c1 ZINC000071328492 569575552 /nfs/dbraw/zinc/57/55/52/569575552.db2.gz ULVFZAZJEXGHEN-UHFFFAOYSA-N 0 0 426.314 3.561 50 0 IHAARN C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071328951 569575559 /nfs/dbraw/zinc/57/55/59/569575559.db2.gz PPDQZYWHIUGMSP-OAHLLOKOSA-N 0 0 425.920 3.680 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000009963820 569575859 /nfs/dbraw/zinc/57/58/59/569575859.db2.gz YQSLIDXSROTBSU-UHFFFAOYSA-N 0 0 426.856 3.970 50 0 IHAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000009968751 569575940 /nfs/dbraw/zinc/57/59/40/569575940.db2.gz MAICFPAHCLVTBX-UHFFFAOYSA-N 0 0 446.558 3.982 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009970180 569576186 /nfs/dbraw/zinc/57/61/86/569576186.db2.gz SDSOSWKUFFNFNG-LJQANCHMSA-N 0 0 426.520 3.520 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000010007620 569577019 /nfs/dbraw/zinc/57/70/19/569577019.db2.gz HGQCHMPXBGPWOP-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1-c1ccccc1 ZINC000010035156 569577374 /nfs/dbraw/zinc/57/73/74/569577374.db2.gz IYWXJKAKIUFLQB-UHFFFAOYSA-N 0 0 425.905 3.541 50 0 IHAARN COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000010077593 569577636 /nfs/dbraw/zinc/57/76/36/569577636.db2.gz QXOMTTKBJBGOHA-UHFFFAOYSA-N 0 0 444.597 3.598 50 0 IHAARN COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 ZINC000010077613 569577648 /nfs/dbraw/zinc/57/76/48/569577648.db2.gz PNMJLLSKVLFYOP-UHFFFAOYSA-N 0 0 438.549 3.788 50 0 IHAARN COc1cccc(-n2c(=O)c3c4c(sc3nc2S[C@@H]2CCCCNC2=O)CCC4)c1 ZINC000010091458 569577703 /nfs/dbraw/zinc/57/77/03/569577703.db2.gz CIMLHZSIDVPLFO-QGZVFWFLSA-N 0 0 441.578 3.705 50 0 IHAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010187024 569578512 /nfs/dbraw/zinc/57/85/12/569578512.db2.gz PBBOIEAERAVXOD-ZDUSSCGKSA-N 0 0 447.563 3.556 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2cccc(C(F)(F)F)c2)c3=O)cc1C ZINC000010252080 569579826 /nfs/dbraw/zinc/57/98/26/569579826.db2.gz HAQQNHIJFXYDCB-UHFFFAOYSA-N 0 0 427.386 3.602 50 0 IHAARN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000010272040 569580113 /nfs/dbraw/zinc/58/01/13/569580113.db2.gz KVVAEROSHDQFDR-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4OC)c3C)n2)cc1OC ZINC000010273831 569580288 /nfs/dbraw/zinc/58/02/88/569580288.db2.gz CNPHPYIZXUQAKO-UHFFFAOYSA-N 0 0 427.848 3.972 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)NC(=O)CO5)c(=O)c23)cc1 ZINC000010275387 569580379 /nfs/dbraw/zinc/58/03/79/569580379.db2.gz AODHJQWOHXKVHC-UHFFFAOYSA-N 0 0 431.473 3.647 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1Cc1ccccc1Cl ZINC000010276227 569580392 /nfs/dbraw/zinc/58/03/92/569580392.db2.gz RPQIMHRPRXWZCK-QGZVFWFLSA-N 0 0 445.976 3.947 50 0 IHAARN CCOc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 ZINC000071768605 569580768 /nfs/dbraw/zinc/58/07/68/569580768.db2.gz UYYXVIHFPDHAKK-UHFFFAOYSA-N 0 0 446.511 3.944 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)cc1 ZINC000071768960 569580863 /nfs/dbraw/zinc/58/08/63/569580863.db2.gz NONLLNJRXJSJNW-UHFFFAOYSA-N 0 0 433.508 3.828 50 0 IHAARN O=C(Nc1ccc(Cl)c2ncsc21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010337223 569581198 /nfs/dbraw/zinc/58/11/98/569581198.db2.gz ABTUZGHLOHNYFJ-LBPRGKRZSA-N 0 0 427.960 3.803 50 0 IHAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375287 569581539 /nfs/dbraw/zinc/58/15/39/569581539.db2.gz MRSKYSYDQLBMDM-UHFFFAOYSA-N 0 0 434.561 3.788 50 0 IHAARN CN(c1ccc(OCC(=O)OCCOc2ccccc2)cc1)S(=O)(=O)c1cccs1 ZINC000010382168 569581782 /nfs/dbraw/zinc/58/17/82/569581782.db2.gz YMWJWWVPCHXRFX-UHFFFAOYSA-N 0 0 447.534 3.574 50 0 IHAARN Nc1c(Cl)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl ZINC000071811206 569581863 /nfs/dbraw/zinc/58/18/63/569581863.db2.gz HEZUNVIJNBBZQQ-UHFFFAOYSA-N 0 0 434.370 3.603 50 0 IHAARN COc1cc(CCC(=O)OCc2nc3sc(C)c(C)c3c(N)n2)cc(OC)c1OC ZINC000010393984 569581897 /nfs/dbraw/zinc/58/18/97/569581897.db2.gz UCNNAFUZVVJNMG-UHFFFAOYSA-N 0 0 431.514 3.592 50 0 IHAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000010401465 569581922 /nfs/dbraw/zinc/58/19/22/569581922.db2.gz RTZQSFPATKDXIM-UHFFFAOYSA-N 0 0 445.537 3.957 50 0 IHAARN CN(CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000010422145 569582003 /nfs/dbraw/zinc/58/20/03/569582003.db2.gz DWTMBYMCGWKHEW-UHFFFAOYSA-N 0 0 439.468 3.893 50 0 IHAARN COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OC(F)F ZINC000010441004 569582206 /nfs/dbraw/zinc/58/22/06/569582206.db2.gz MNLWJFWZQLAXRT-UHFFFAOYSA-N 0 0 433.192 3.831 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000010446315 569582237 /nfs/dbraw/zinc/58/22/37/569582237.db2.gz XPZUGJXHDZSUQP-UHFFFAOYSA-N 0 0 427.936 3.753 50 0 IHAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010444295 569582241 /nfs/dbraw/zinc/58/22/41/569582241.db2.gz BRSPBNIJCDAZIZ-UHFFFAOYSA-N 0 0 446.503 3.538 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)c(-n4cccc4)c3)CC2)cc1 ZINC000010488086 569582513 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3.794 50 0 IHAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2nncn2C2CCCCC2)CC1 ZINC000077197352 569586179 /nfs/dbraw/zinc/58/61/79/569586179.db2.gz MYHWNYXSXGZWMW-UHFFFAOYSA-N 0 0 426.952 3.876 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3nnn(-c4ccccc4F)c3-c3ccccn3)CC2)c1 ZINC000077199884 569586257 /nfs/dbraw/zinc/58/62/57/569586257.db2.gz JGZRHAXUWCYHTH-UHFFFAOYSA-N 0 0 442.498 3.739 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000077200418 569586397 /nfs/dbraw/zinc/58/63/97/569586397.db2.gz OSCNAOSLPLMLIT-RBUKOAKNSA-N 0 0 434.489 3.867 50 0 IHAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C[C@H]2CCCO2)CC1 ZINC000021808583 569587138 /nfs/dbraw/zinc/58/71/38/569587138.db2.gz DDDQGTNMNKJGBT-YEDWXKIVSA-N 0 0 429.586 3.791 50 0 IHAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C[C@@H]2CCCO2)CC1 ZINC000021808577 569587181 /nfs/dbraw/zinc/58/71/81/569587181.db2.gz DDDQGTNMNKJGBT-YKVYIFSYSA-N 0 0 429.586 3.791 50 0 IHAARN O=C(CN(C(=O)C1CC1)C1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 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132279557 /nfs/dbraw/zinc/27/95/57/132279557.db2.gz QKYLFVLQWJLEBS-MJGOQNOKSA-N 0 0 425.504 3.870 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3cccc(F)c3)CC1)C[C@@H](C)O2 ZINC000006842333 132279596 /nfs/dbraw/zinc/27/95/96/132279596.db2.gz HTCTXZDTHXUYAT-QGZVFWFLSA-N 0 0 425.504 3.870 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccco3)CC2)c2cc(C)ccc2O1 ZINC000006847052 132279855 /nfs/dbraw/zinc/27/98/55/132279855.db2.gz NVTWTNCITIRAMF-LJQANCHMSA-N 0 0 425.529 3.756 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000007950238 132280662 /nfs/dbraw/zinc/28/06/62/132280662.db2.gz CTTIWFSOWTWUML-JOCHJYFZSA-N 0 0 427.570 3.859 50 0 IHAARN COc1cc(OC)c(NC(=O)c2c(C)oc3nc(C)nc(N4CCOCC4)c32)cc1Cl ZINC000008596726 132285268 /nfs/dbraw/zinc/28/52/68/132285268.db2.gz MWZGQFNMKWYNOM-UHFFFAOYSA-N 0 0 446.891 3.599 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)N1CCN(c2ccccc2F)CC1 ZINC000008617235 132288871 /nfs/dbraw/zinc/28/88/71/132288871.db2.gz SOVPLMMFBDREKX-UHFFFAOYSA-N 0 0 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Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)cc1C ZINC000009210785 132308937 /nfs/dbraw/zinc/30/89/37/132308937.db2.gz UCCXARLYPUZANI-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009228416 132310000 /nfs/dbraw/zinc/31/00/00/132310000.db2.gz UOQGCWQZEZLOKS-UHFFFAOYSA-N 0 0 425.460 3.509 50 0 IHAARN O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NC1CCCC1 ZINC000009250361 132310582 /nfs/dbraw/zinc/31/05/82/132310582.db2.gz AQKBASWCUHZMKD-UHFFFAOYSA-N 0 0 435.343 3.684 50 0 IHAARN Cc1c(C)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2oc1=O ZINC000009252924 132311122 /nfs/dbraw/zinc/31/11/22/132311122.db2.gz OTMVSRJRIBSOGC-UHFFFAOYSA-N 0 0 426.900 3.791 50 0 IHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009254587 132311232 /nfs/dbraw/zinc/31/12/32/132311232.db2.gz IDOQFLAGYWXCIM-UHFFFAOYSA-N 0 0 445.548 3.823 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000009322965 132313691 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50 0 IHAARN O=C(c1cccc(Nc2nc3ccccc3n3cnnc23)c1)N1CCN(c2ccccc2)CC1 ZINC000009561305 132321505 /nfs/dbraw/zinc/32/15/05/132321505.db2.gz STMUGCLAJPGSBP-UHFFFAOYSA-N 0 0 449.518 3.984 50 0 IHAARN O=C(/C=C/c1cccs1)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009585950 132322391 /nfs/dbraw/zinc/32/23/91/132322391.db2.gz YKPFPROKWCLNHA-GQCTYLIASA-N 0 0 440.443 3.799 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N(C)Cc3ccccc3)cc12 ZINC000009597550 132322761 /nfs/dbraw/zinc/32/27/61/132322761.db2.gz YJSTWRJJOOVNJM-UHFFFAOYSA-N 0 0 446.551 3.757 50 0 IHAARN COc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1OC ZINC000009708847 132326847 /nfs/dbraw/zinc/32/68/47/132326847.db2.gz YITCQLAFBRTKJK-UHFFFAOYSA-N 0 0 436.516 3.829 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782533 132328965 /nfs/dbraw/zinc/32/89/65/132328965.db2.gz SOZCLZZSVSANJP-LBPRGKRZSA-N 0 0 425.539 3.807 50 0 IHAARN O=C(c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)N1CCN(c2ccccn2)CC1 ZINC000009882083 132330715 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519702064 /nfs/dbraw/zinc/70/20/64/519702064.db2.gz XMKZQXBPEWPUSB-UHFFFAOYSA-N 0 0 445.567 3.980 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)ccc1C ZINC000016648450 519703015 /nfs/dbraw/zinc/70/30/15/519703015.db2.gz SLKBBYLDHULYKA-UHFFFAOYSA-N 0 0 444.413 3.835 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)n2)c(F)c1 ZINC000012809856 519708339 /nfs/dbraw/zinc/70/83/39/519708339.db2.gz JTVPGRVECBMGNC-QGZVFWFLSA-N 0 0 442.472 3.744 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000035537392 519708717 /nfs/dbraw/zinc/70/87/17/519708717.db2.gz QSXCTSAGNZPZAE-MRXNPFEDSA-N 0 0 434.496 3.869 50 0 IHAARN CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042000 519714808 /nfs/dbraw/zinc/71/48/08/519714808.db2.gz SRKIOEPVPFUVFR-ZWKOTPCHSA-N 0 0 448.441 3.815 50 0 IHAARN CC(=O)Nc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)sc2c1 ZINC000001113332 519735311 /nfs/dbraw/zinc/73/53/11/519735311.db2.gz LJKAAIAYFOBFDJ-UHFFFAOYSA-N 0 0 426.567 3.696 50 0 IHAARN CC(=O)Nc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)c1 ZINC000021657349 519741186 /nfs/dbraw/zinc/74/11/86/519741186.db2.gz SOTHWXKJZAVFMT-CQSZACIVSA-N 0 0 430.302 3.708 50 0 IHAARN CC(C)OCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000012879448 519762732 /nfs/dbraw/zinc/76/27/32/519762732.db2.gz QXQCUMLJMJMYMO-HSZRJFAPSA-N 0 0 435.524 3.531 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000033012000 519779364 /nfs/dbraw/zinc/77/93/64/519779364.db2.gz ZUJNMJGUFQYHCJ-UHFFFAOYSA-N 0 0 442.566 3.986 50 0 IHAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1nc2ccccc2[nH]1 ZINC000012628719 519818163 /nfs/dbraw/zinc/81/81/63/519818163.db2.gz SLPVGHWVAPHHQE-INIZCTEOSA-N 0 0 426.439 3.787 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009631207 519820413 /nfs/dbraw/zinc/82/04/13/519820413.db2.gz BGNWBCAFYMODNO-INIZCTEOSA-N 0 0 446.809 3.888 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1 ZINC000035588260 519878656 /nfs/dbraw/zinc/87/86/56/519878656.db2.gz KXAUJFMYHBBQRY-UHFFFAOYSA-N 0 0 431.558 3.625 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)[C@H](C(=O)N(C)C)C2 ZINC000065167044 519878713 /nfs/dbraw/zinc/87/87/13/519878713.db2.gz DFTNXYDCFCSSPQ-FQEVSTJZSA-N 0 0 427.932 3.734 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000035961772 519883190 /nfs/dbraw/zinc/88/31/90/519883190.db2.gz OTHPKWMKGKOMKS-JOCHJYFZSA-N 0 0 440.519 3.571 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F ZINC000035947259 519883373 /nfs/dbraw/zinc/88/33/73/519883373.db2.gz WITYYZZHMVRWTN-LJQANCHMSA-N 0 0 446.548 3.633 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000035947189 519883374 /nfs/dbraw/zinc/88/33/74/519883374.db2.gz XHCOEMOEJZEKKW-FQEVSTJZSA-N 0 0 442.585 3.802 50 0 IHAARN CC(C)c1nnc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1Cc1ccco1 ZINC000022133477 519890882 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CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CSc1nc2ccccc2s1 ZINC000012638970 520245149 /nfs/dbraw/zinc/24/51/49/520245149.db2.gz OOYLKGVNWQISEN-UHFFFAOYSA-N 0 0 441.534 3.696 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000012744692 520339331 /nfs/dbraw/zinc/33/93/31/520339331.db2.gz PLYYCGWRGFHUKT-UHFFFAOYSA-N 0 0 428.895 3.752 50 0 IHAARN CCN(CC(=O)Nc1cccc2nsnc21)CC(=O)Nc1ccccc1C(F)(F)F ZINC000019108748 520365591 /nfs/dbraw/zinc/36/55/91/520365591.db2.gz GZTGXTXOECSUFM-UHFFFAOYSA-N 0 0 437.447 3.609 50 0 IHAARN CCCOc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccccc3Cl)CC2)nn1 ZINC000012440303 520387140 /nfs/dbraw/zinc/38/71/40/520387140.db2.gz XNEBQRNIFYOYEB-UHFFFAOYSA-N 0 0 441.919 3.845 50 0 IHAARN CCCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)c1 ZINC000012291662 520466158 /nfs/dbraw/zinc/46/61/58/520466158.db2.gz IVOIDBVVNSDLPP-WFXMLNOXSA-N 0 0 436.430 3.888 50 0 IHAARN CCCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)c1 ZINC000035993551 520466469 /nfs/dbraw/zinc/46/64/69/520466469.db2.gz IVOIDBVVNSDLPP-LQWHRVPQSA-N 0 0 436.430 3.888 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(CC)cc2)c2ncnn2[C@H]1c1ccccc1 ZINC000021349866 520475190 /nfs/dbraw/zinc/47/51/90/520475190.db2.gz SMCWXHJJFFEDDY-QHCPKHFHSA-N 0 0 445.523 3.726 50 0 IHAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 ZINC000012906393 520495108 /nfs/dbraw/zinc/49/51/08/520495108.db2.gz WRSWIVSNKNJFMW-GJZGRUSLSA-N 0 0 449.642 3.722 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000022248620 520565173 /nfs/dbraw/zinc/56/51/73/520565173.db2.gz BAAJVFPEXJDCBI-GFCCVEGCSA-N 0 0 441.475 3.931 50 0 IHAARN CCOc1c(Br)cc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000012909269 520593121 /nfs/dbraw/zinc/59/31/21/520593121.db2.gz AGETXXICRNYIGL-UHFFFAOYSA-N 0 0 437.677 3.736 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045612 520664098 /nfs/dbraw/zinc/66/40/98/520664098.db2.gz QBISNWJPIOLBLC-NHCUHLMSSA-N 0 0 428.504 3.615 50 0 IHAARN CCOc1cc(C(=O)Nc2nn3c(nnc3-c3ccco3)s2)cc(OCC)c1OCC ZINC000020486447 520670913 /nfs/dbraw/zinc/67/09/13/520670913.db2.gz FDVPTIINIUHVOW-UHFFFAOYSA-N 0 0 443.485 3.894 50 0 IHAARN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 ZINC000001093130 520685225 /nfs/dbraw/zinc/68/52/25/520685225.db2.gz HJLLIXPXDJITJH-YWZLYKJASA-N 0 0 444.519 3.553 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000017281931 520795651 /nfs/dbraw/zinc/79/56/51/520795651.db2.gz KEBQQPBIPPWOSN-UHFFFAOYSA-N 0 0 446.960 3.529 50 0 IHAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCCOC)c3C)cc1OCC ZINC000021913919 520803440 /nfs/dbraw/zinc/80/34/40/520803440.db2.gz OSQPEEWATQBHSY-UHFFFAOYSA-N 0 0 426.517 3.577 50 0 IHAARN CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(CC(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000021913088 520841704 /nfs/dbraw/zinc/84/17/04/520841704.db2.gz RTFKHGVQLMVVIF-UHFFFAOYSA-N 0 0 430.501 3.799 50 0 IHAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000012933863 520851096 /nfs/dbraw/zinc/85/10/96/520851096.db2.gz LTHKRJXYIWPQMI-QFIPXVFZSA-N 0 0 449.544 3.972 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1C ZINC000020932448 520858300 /nfs/dbraw/zinc/85/83/00/520858300.db2.gz DKAVOZXEQPJHHN-HXUWFJFHSA-N 0 0 426.513 3.503 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1CC ZINC000020932055 520858633 /nfs/dbraw/zinc/85/86/33/520858633.db2.gz VQRRGAFRMCBJEG-OAQYLSRUSA-N 0 0 440.540 3.757 50 0 IHAARN CCCCOc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 ZINC000017270920 520872243 /nfs/dbraw/zinc/87/22/43/520872243.db2.gz MJWHDHRPWGTUOK-UHFFFAOYSA-N 0 0 433.555 3.978 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000012625788 520907390 /nfs/dbraw/zinc/90/73/90/520907390.db2.gz LQKRVQKQYQVHPM-UHFFFAOYSA-N 0 0 444.572 3.852 50 0 IHAARN CCOC(=O)N1CCC(N(CCOC)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020687012 520922548 /nfs/dbraw/zinc/92/25/48/520922548.db2.gz ZUWJKBZTFLJBKL-UHFFFAOYSA-N 0 0 433.496 3.972 50 0 IHAARN CCOC(=O)N1CCC(N(CCOC)C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000020687034 520922616 /nfs/dbraw/zinc/92/26/16/520922616.db2.gz AYBKVXBAVWPYPW-UHFFFAOYSA-N 0 0 429.970 3.615 50 0 IHAARN CC1CCN(C(=O)CCCN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)CC1 ZINC000021645719 520973537 /nfs/dbraw/zinc/97/35/37/520973537.db2.gz WDKABGOCKXGPBF-UHFFFAOYSA-N 0 0 433.556 3.817 50 0 IHAARN CC1CCN(C(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)cc2)CC1 ZINC000035458209 520989283 /nfs/dbraw/zinc/98/92/83/520989283.db2.gz DVPLEOMOIDSMAC-QHCPKHFHSA-N 0 0 431.536 3.710 50 0 IHAARN CC1CCN(c2nc3ncnc(SCC(=O)NCCc4ccccc4)c3s2)CC1 ZINC000035533343 521048493 /nfs/dbraw/zinc/04/84/93/521048493.db2.gz JZDGMHIYDIDKGJ-UHFFFAOYSA-N 0 0 427.599 3.774 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)cc1 ZINC000021537409 521067419 /nfs/dbraw/zinc/06/74/19/521067419.db2.gz NXGWXEWXIVOKQY-UHFFFAOYSA-N 0 0 435.509 3.523 50 0 IHAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCOC)c3)C2)cc1 ZINC000033035160 521085359 /nfs/dbraw/zinc/08/53/59/521085359.db2.gz DCPAHIRNNGNVMN-FQEVSTJZSA-N 0 0 425.529 3.873 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F ZINC000035961498 521089155 /nfs/dbraw/zinc/08/91/55/521089155.db2.gz LMWKKPINWQTFJU-NRFANRHFSA-N 0 0 429.467 3.528 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035948235 521089430 /nfs/dbraw/zinc/08/94/30/521089430.db2.gz ZBDJJUMURXRFAW-SFHVURJKSA-N 0 0 433.961 3.964 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1S(=O)(=O)N(C)C ZINC000012777809 521100662 /nfs/dbraw/zinc/10/06/62/521100662.db2.gz VDIRYOQVCSBHTA-CQSZACIVSA-N 0 0 440.949 3.703 50 0 IHAARN CCOc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 ZINC000012816092 521165130 /nfs/dbraw/zinc/16/51/30/521165130.db2.gz RKXSRCYYEYTEPW-UHFFFAOYSA-N 0 0 444.553 3.516 50 0 IHAARN CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000012814721 521171972 /nfs/dbraw/zinc/17/19/72/521171972.db2.gz IUQFPBKLFWMOHG-INIZCTEOSA-N 0 0 425.481 3.578 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccccc2C(=O)OC)C1 ZINC000012372967 521183812 /nfs/dbraw/zinc/18/38/12/521183812.db2.gz BHMAZXOLKYJWLU-XMMPIXPASA-N 0 0 427.472 3.641 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000012803606 521191673 /nfs/dbraw/zinc/19/16/73/521191673.db2.gz HTFGZDPWRRMEIR-UHFFFAOYSA-N 0 0 443.525 3.622 50 0 IHAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1 ZINC000035944724 521206696 /nfs/dbraw/zinc/20/66/96/521206696.db2.gz NFENIGNLPLRBOT-QFIPXVFZSA-N 0 0 439.556 3.931 50 0 IHAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)CC(C)C)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005799 521207045 /nfs/dbraw/zinc/20/70/45/521207045.db2.gz FYDIWMGXSRYTGS-UHFFFAOYSA-N 0 0 430.593 3.602 50 0 IHAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCN(C(=O)OCC)CC3)s2)c1C ZINC000020893461 521260738 /nfs/dbraw/zinc/26/07/38/521260738.db2.gz QJWZKQNKJVYRCX-UHFFFAOYSA-N 0 0 433.578 3.511 50 0 IHAARN CCOc1ccc2c(c1)SC1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(N3CCCCC3)N21 ZINC000012412264 521291574 /nfs/dbraw/zinc/29/15/74/521291574.db2.gz AMYNJSJLZPHWAV-SFHVURJKSA-N 0 0 442.463 3.641 50 0 IHAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4csc(C)n4)CC3)nc(C)c2c1 ZINC000011908843 521301299 /nfs/dbraw/zinc/30/12/99/521301299.db2.gz NKSHKTOVKCAYOB-UHFFFAOYSA-N 0 0 425.558 3.635 50 0 IHAARN CCOc1ccc2nc(NC(=O)Cn3ncc4c5cc(C)ccc5[nH]c4c3=O)sc2c1 ZINC000020574547 521305059 /nfs/dbraw/zinc/30/50/59/521305059.db2.gz ABVJHBSOABMBQE-UHFFFAOYSA-N 0 0 433.493 3.833 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O ZINC000012549983 521325207 /nfs/dbraw/zinc/32/52/07/521325207.db2.gz BJHQFCNRUHDBTL-OAQYLSRUSA-N 0 0 444.329 3.943 50 0 IHAARN CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccccc1 ZINC000012340551 521333921 /nfs/dbraw/zinc/33/39/21/521333921.db2.gz MOBKKWWSLMVASV-UHFFFAOYSA-N 0 0 426.542 3.636 50 0 in-vitro IHAARN CCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012566767 521343991 /nfs/dbraw/zinc/34/39/91/521343991.db2.gz HDWBVWSIUCNEEP-IAGOWNOFSA-N 0 0 442.006 3.758 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000018150881 521344659 /nfs/dbraw/zinc/34/46/59/521344659.db2.gz RFGYDWQCFIQVIO-DTQAZKPQSA-N 0 0 430.545 3.887 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2cccc(F)c2)c1C ZINC000035992682 521363501 /nfs/dbraw/zinc/36/35/01/521363501.db2.gz BLYIZKJFHOXGCD-UHFFFAOYSA-N 0 0 437.471 3.868 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000036003886 521363633 /nfs/dbraw/zinc/36/36/33/521363633.db2.gz BTYPTTZYXWRESX-QGZVFWFLSA-N 0 0 434.558 3.726 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)C(=O)c2ccccc2Cl)c1C ZINC000035993238 521365607 /nfs/dbraw/zinc/36/56/07/521365607.db2.gz MSQMKFOSCPXVPK-HNNXBMFYSA-N 0 0 434.920 3.822 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1c(F)c(F)cc(F)c1F ZINC000021409676 521388021 /nfs/dbraw/zinc/38/80/21/521388021.db2.gz XDHONAUZULIFEE-UHFFFAOYSA-N 0 0 449.378 3.594 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C(=O)COc3ccc(Cl)cc31)CCCC2 ZINC000001105301 521415719 /nfs/dbraw/zinc/41/57/19/521415719.db2.gz OEIVWKDHDRDKQL-UHFFFAOYSA-N 0 0 448.928 3.821 50 0 IHAARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC)cc2OC)n1C ZINC000017095893 521441353 /nfs/dbraw/zinc/44/13/53/521441353.db2.gz LPKZYIAEIAGYOM-UHFFFAOYSA-N 0 0 428.514 3.629 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000018270554 521445741 /nfs/dbraw/zinc/44/57/41/521445741.db2.gz CQBKZUYMTLSJGQ-UHFFFAOYSA-N 0 0 439.570 3.819 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000012783024 521453853 /nfs/dbraw/zinc/45/38/53/521453853.db2.gz UPZMBLTTWTUSGY-UHFFFAOYSA-N 0 0 440.809 3.575 50 0 IHAARN CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000020486750 521486511 /nfs/dbraw/zinc/48/65/11/521486511.db2.gz XCMICSNNSXATIH-SDNWHVSQSA-N 0 0 428.539 3.714 50 0 IHAARN CCOc1ccccc1CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 ZINC000021640418 521487920 /nfs/dbraw/zinc/48/79/20/521487920.db2.gz VDKSEMLLESJKPF-UHFFFAOYSA-N 0 0 447.558 3.899 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000012903790 521498992 /nfs/dbraw/zinc/49/89/92/521498992.db2.gz QAVXQPJWWUKBGR-UHFFFAOYSA-N 0 0 447.520 3.939 50 0 IHAARN CCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O ZINC000012099765 521524834 /nfs/dbraw/zinc/52/48/34/521524834.db2.gz OXLBUSSSXMBALD-AJTFRIOCSA-N 0 0 448.563 3.610 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)ccc21 ZINC000035535085 521534828 /nfs/dbraw/zinc/53/48/28/521534828.db2.gz QYNIWPKWUQEDNY-UHFFFAOYSA-N 0 0 441.487 3.973 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)NCCCn2c3ncccc3nc2C(F)(F)F)c1 ZINC000033263832 521541177 /nfs/dbraw/zinc/54/11/77/521541177.db2.gz QPRWFXFTDBJNLK-UHFFFAOYSA-N 0 0 435.406 3.839 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3cccc(C)c3)nsc2c1=O ZINC000033268099 521553752 /nfs/dbraw/zinc/55/37/52/521553752.db2.gz LFMHAQLFZHRFNN-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000023336055 521600296 /nfs/dbraw/zinc/60/02/96/521600296.db2.gz OJHBAFMKFWLMHQ-UHFFFAOYSA-N 0 0 438.915 3.812 50 0 IHAARN CCOC(=O)c1nc2onc(CC)c2c(NCc2cc(Br)ccc2OC)n1 ZINC000035507343 521600650 /nfs/dbraw/zinc/60/06/50/521600650.db2.gz DGSMNNOXCCPZIS-UHFFFAOYSA-N 0 0 435.278 3.740 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC000022520105 521608467 /nfs/dbraw/zinc/60/84/67/521608467.db2.gz LCTAJNPQEVLOHJ-AWEZNQCLSA-N 0 0 435.432 3.646 50 0 IHAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000021686175 521614623 /nfs/dbraw/zinc/61/46/23/521614623.db2.gz YXCNYRROGMSVPW-UHFFFAOYSA-N 0 0 430.917 3.597 50 0 IHAARN CCC(CC)c1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)s1 ZINC000022691694 521636460 /nfs/dbraw/zinc/63/64/60/521636460.db2.gz IPZMEPPCQOXQGH-AWEZNQCLSA-N 0 0 442.632 3.851 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000022691001 521639740 /nfs/dbraw/zinc/63/97/40/521639740.db2.gz DNKCCNAGIQSPSQ-INIZCTEOSA-N 0 0 446.598 3.856 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4cccc(C)c4C)SC3)ccc21 ZINC000012607117 521668479 /nfs/dbraw/zinc/66/84/79/521668479.db2.gz WZIFPZZJZQYUPE-UHFFFAOYSA-N 0 0 428.583 3.935 50 0 IHAARN CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc3ccc(F)cc3s2)c1 ZINC000021685263 521691897 /nfs/dbraw/zinc/69/18/97/521691897.db2.gz JJDQMKHYWFDZAN-UHFFFAOYSA-N 0 0 444.513 3.975 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2nc(C)cs2)n1CCc1ccccc1 ZINC000012441609 521694435 /nfs/dbraw/zinc/69/44/35/521694435.db2.gz PWVCXZKLSJZYCC-KRWDZBQOSA-N 0 0 432.615 3.877 50 0 IHAARN CCCN([C@@H](C)C(=O)c1c(C)c(C(=O)OC)n(CC)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036025798 521696535 /nfs/dbraw/zinc/69/65/35/521696535.db2.gz IHTIHRNZJKVRHO-SFHVURJKSA-N 0 0 448.585 3.892 50 0 IHAARN CCCN(Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012515178 521696813 /nfs/dbraw/zinc/69/68/13/521696813.db2.gz ZJQNODZPTROEIE-KRWDZBQOSA-N 0 0 448.639 3.988 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928155 521703487 /nfs/dbraw/zinc/70/34/87/521703487.db2.gz IUXCDPYDSFCONU-FGZHOGPDSA-N 0 0 440.540 3.928 50 0 IHAARN CCOCCCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000035405727 521706219 /nfs/dbraw/zinc/70/62/19/521706219.db2.gz IVFFHUBJGHZQEY-QHCPKHFHSA-N 0 0 443.544 3.799 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1C ZINC000012793083 521750666 /nfs/dbraw/zinc/75/06/66/521750666.db2.gz FZAKRHCFQDIIDW-UHFFFAOYSA-N 0 0 427.482 3.916 50 0 IHAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(CCC(C)C)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000036018957 521751960 /nfs/dbraw/zinc/75/19/60/521751960.db2.gz OYTHIZGFRHDNBY-GOSISDBHSA-N 0 0 448.585 3.737 50 0 IHAARN COCCSc1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)c3c[nH]cn3)CC2)n1 ZINC000012151136 521780073 /nfs/dbraw/zinc/78/00/73/521780073.db2.gz DKAHSFKMTBAFBR-UHFFFAOYSA-N 0 0 441.532 3.764 50 0 IHAARN CCc1ccccc1N1C[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1=O ZINC000024323960 521854852 /nfs/dbraw/zinc/85/48/52/521854852.db2.gz XTKXHVNVYFZOSF-KRWDZBQOSA-N 0 0 428.916 3.733 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000035362772 521870032 /nfs/dbraw/zinc/87/00/32/521870032.db2.gz RDYUBJQFFCILIS-UHFFFAOYSA-N 0 0 425.598 3.976 50 0 IHAARN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1 ZINC000000668848 521887964 /nfs/dbraw/zinc/88/79/64/521887964.db2.gz ZDOWNBOODFBWDA-JTQLQIEISA-N 0 0 426.252 3.973 50 0 IHAARN COC(=O)c1cc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 ZINC000016194039 521892549 /nfs/dbraw/zinc/89/25/49/521892549.db2.gz NNJDZHZUDCLFJJ-UHFFFAOYSA-N 0 0 444.553 3.679 50 0 IHAARN COc1cc(-c2ncc(C(=O)NC(C)C)c(N3CCCC[C@@H]3C)n2)cc(OC)c1OC ZINC000035987889 521905772 /nfs/dbraw/zinc/90/57/72/521905772.db2.gz XSXDBCDMDCXGKR-HNNXBMFYSA-N 0 0 428.533 3.686 50 0 IHAARN COc1cc(-c2nnc(S[C@@H]3CCc4ccccc4NC3=O)o2)cc(OC)c1OC ZINC000020726421 521911598 /nfs/dbraw/zinc/91/15/98/521911598.db2.gz ZMRUEYIWGXRHIB-QGZVFWFLSA-N 0 0 427.482 3.808 50 0 IHAARN COc1cc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc(Cl)c1OC ZINC000012864179 521927034 /nfs/dbraw/zinc/92/70/34/521927034.db2.gz GOSCGOHESNTIRP-CMDGGOBGSA-N 0 0 428.916 3.791 50 0 IHAARN CC[C@H](C)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 ZINC000022962974 522039343 /nfs/dbraw/zinc/03/93/43/522039343.db2.gz IEFOGEOUQHXEOJ-UWJYYQICSA-N 0 0 430.570 3.680 50 0 IHAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCc1ccccc1F ZINC000012415114 522056975 /nfs/dbraw/zinc/05/69/75/522056975.db2.gz OMPYFZUICZVMDS-UHFFFAOYSA-N 0 0 429.517 3.613 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1OC ZINC000012406612 522058535 /nfs/dbraw/zinc/05/85/35/522058535.db2.gz TTYZRHLEKVSSDP-UHFFFAOYSA-N 0 0 442.537 3.845 50 0 IHAARN COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c3ccccc3[nH]c2c1=O ZINC000017026292 522072801 /nfs/dbraw/zinc/07/28/01/522072801.db2.gz WIRDZGFWGCHQTH-UHFFFAOYSA-N 0 0 436.537 3.872 50 0 IHAARN COc1cc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)cc(OC)c1Br ZINC000012507226 522145422 /nfs/dbraw/zinc/14/54/22/522145422.db2.gz JCRBKPHAVUDJDL-SFHVURJKSA-N 0 0 448.292 3.858 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012863736 522224009 /nfs/dbraw/zinc/22/40/09/522224009.db2.gz KRWAWXQYQCTCSQ-BZQUYTCOSA-N 0 0 430.508 3.936 50 0 biogenic IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)[C@H](C)n1nc(C)cc1C)C2 ZINC000011964544 522252425 /nfs/dbraw/zinc/25/24/25/522252425.db2.gz MIKPYPQTKAQQGD-ICSRJNTNSA-N 0 0 447.535 3.943 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000020721355 522375239 /nfs/dbraw/zinc/37/52/39/522375239.db2.gz JLTFFELJKDPHEW-DPZKZMLUSA-N 0 0 439.343 3.961 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000020716990 522375294 /nfs/dbraw/zinc/37/52/94/522375294.db2.gz ZRFGYEOLMPCITA-DPZKZMLUSA-N 0 0 439.343 3.961 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NCCNC(=O)c2cccc(F)c2)n1 ZINC000036025943 522467891 /nfs/dbraw/zinc/46/78/91/522467891.db2.gz JBPZQHWKMNUBDY-UHFFFAOYSA-N 0 0 432.503 3.976 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(F)ccc1F ZINC000012794509 522502601 /nfs/dbraw/zinc/50/26/01/522502601.db2.gz CZJOCAFXUPTVSV-UHFFFAOYSA-N 0 0 442.793 3.896 50 0 IHAARN COc1cc(C[C@]2(CCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CCC(=O)N2)ccc1F ZINC000012156366 522504395 /nfs/dbraw/zinc/50/43/95/522504395.db2.gz XYBUGXMRQPHXFY-UQBPGWFLSA-N 0 0 442.506 3.961 50 0 IHAARN CN(CC(=O)Nc1ccc(I)cc1)Cc1nc2ccccc2s1 ZINC000012866383 522506430 /nfs/dbraw/zinc/50/64/30/522506430.db2.gz YJANSJYZCGCPMH-UHFFFAOYSA-N 0 0 437.306 3.971 50 0 IHAARN CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)cc(Cl)cc2C)CC1 ZINC000001027831 522507851 /nfs/dbraw/zinc/50/78/51/522507851.db2.gz VGKDMZQVTVLFJU-UHFFFAOYSA-N 0 0 444.988 3.973 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 ZINC000016818793 522513857 /nfs/dbraw/zinc/51/38/57/522513857.db2.gz ZJUWQFRARDJOEM-CYBMUJFWSA-N 0 0 432.933 3.709 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 ZINC000012606240 522516740 /nfs/dbraw/zinc/51/67/40/522516740.db2.gz BIQQGRVKJPPFGV-KRWDZBQOSA-N 0 0 431.964 3.953 50 0 IHAARN COc1cc(Cl)ccc1C(=O)N1CCN(Cc2noc(-c3ccc(C)cc3)n2)CC1 ZINC000033327610 522544747 /nfs/dbraw/zinc/54/47/47/522544747.db2.gz UWXYJVSFNIJUMH-UHFFFAOYSA-N 0 0 426.904 3.665 50 0 IHAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)COC ZINC000035972519 522637280 /nfs/dbraw/zinc/63/72/80/522637280.db2.gz SWWWUBZMWSOSMO-UHFFFAOYSA-N 0 0 441.503 3.988 50 0 IHAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(Cc5ccccc5)CC4)c3c2)o1 ZINC000035462235 522718508 /nfs/dbraw/zinc/71/85/08/522718508.db2.gz SMBHYXUNPKSLCE-UHFFFAOYSA-N 0 0 429.524 3.598 50 0 IHAARN CN(CCCN1CCOCC1)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000020906446 522753940 /nfs/dbraw/zinc/75/39/40/522753940.db2.gz IEJFZKYNYPBASO-UHFFFAOYSA-N 0 0 427.932 3.866 50 0 IHAARN CN(CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1)c1ccccc1 ZINC000021872532 522767716 /nfs/dbraw/zinc/76/77/16/522767716.db2.gz ZQYDYQVKLNNBSJ-UHFFFAOYSA-N 0 0 446.576 3.977 50 0 IHAARN CCc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000012429978 522782570 /nfs/dbraw/zinc/78/25/70/522782570.db2.gz DJNZOFDSZKQYOZ-MRXNPFEDSA-N 0 0 429.521 3.879 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(n3c4ncccc4nc3[C@@H]3CCCO3)CC2)c1 ZINC000012151673 522847371 /nfs/dbraw/zinc/84/73/71/522847371.db2.gz CLRRNVLFAFYPTL-NRFANRHFSA-N 0 0 436.512 3.777 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)c(F)c1 ZINC000012523221 522867967 /nfs/dbraw/zinc/86/79/67/522867967.db2.gz JUQYPVHPXNQOAE-LJQANCHMSA-N 0 0 432.448 3.619 50 0 IHAARN COC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012919081 522890049 /nfs/dbraw/zinc/89/00/49/522890049.db2.gz APGKZKXGMIMOIY-HNAYVOBHSA-N 0 0 437.462 3.617 50 0 IHAARN COC(=O)C1CC[NH+]([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851761 522919568 /nfs/dbraw/zinc/91/95/68/522919568.db2.gz LFAIDZLWYUQCPG-QGZVFWFLSA-N 0 0 438.509 3.731 50 0 IHAARN COc1cc2[nH]c3c(ncn(CCC(=O)Nc4ccc(Cl)cc4)c3=O)c2cc1OC ZINC000035424016 522988084 /nfs/dbraw/zinc/98/80/84/522988084.db2.gz GYCJZOCQAACJJU-UHFFFAOYSA-N 0 0 426.860 3.577 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012658099 522992384 /nfs/dbraw/zinc/99/23/84/522992384.db2.gz RCWVBSJVWABCAG-IBGZPJMESA-N 0 0 440.540 3.931 50 0 biogenic IHAARN COc1cc2c(cc1OC)CN(C(=O)COc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2 ZINC000012899918 523026381 /nfs/dbraw/zinc/02/63/81/523026381.db2.gz FJTSASPRTIHUFB-UHFFFAOYSA-N 0 0 437.492 3.699 50 0 biogenic IHAARN CCn1c(-c2ccc(Cl)cc2)nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1=S ZINC000012792303 523082545 /nfs/dbraw/zinc/08/25/45/523082545.db2.gz AWQLRURADNMYTO-QGZVFWFLSA-N 0 0 443.038 3.857 50 0 IHAARN CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000009667834 523085961 /nfs/dbraw/zinc/08/59/61/523085961.db2.gz VLPVHGWNBMWQGU-LLVKDONJSA-N 0 0 426.449 3.918 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000021112748 523106318 /nfs/dbraw/zinc/10/63/18/523106318.db2.gz GJHSJBOQBJVAND-UHFFFAOYSA-N 0 0 442.493 3.664 50 0 IHAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1=O ZINC000012677321 523106871 /nfs/dbraw/zinc/10/68/71/523106871.db2.gz TWYABRFPMGVMSJ-IBGZPJMESA-N 0 0 448.548 3.547 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cccc(C(C)=O)c1 ZINC000021112785 523109098 /nfs/dbraw/zinc/10/90/98/523109098.db2.gz UWDUSUQDDBBBTO-UHFFFAOYSA-N 0 0 442.493 3.664 50 0 IHAARN CCn1c(C(=O)N[C@H](C)CCc2ccccc2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561276 523118189 /nfs/dbraw/zinc/11/81/89/523118189.db2.gz FJSMAVQQPLFDRU-QGZVFWFLSA-N 0 0 427.570 3.663 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2F)c(C)n3C)cc1 ZINC000035448806 523122925 /nfs/dbraw/zinc/12/29/25/523122925.db2.gz HYJCSQAZPCTFHF-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN COc1ccc(-c2coc3cc(OCCN4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC ZINC000020621773 523157761 /nfs/dbraw/zinc/15/77/61/523157761.db2.gz IPRUUBMACLENNN-IRXDYDNUSA-N 0 0 439.508 3.965 50 0 biogenic IHAARN COc1ccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)cc1OC ZINC000012527607 523196758 /nfs/dbraw/zinc/19/67/58/523196758.db2.gz KQXCMHRCRUGRLK-UHFFFAOYSA-N 0 0 439.537 3.845 50 0 IHAARN COCc1nc2cccnc2n1C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012191134 523216615 /nfs/dbraw/zinc/21/66/15/523216615.db2.gz FQAVWHPEDSCZTH-OAHLLOKOSA-N 0 0 428.920 3.862 50 0 IHAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000032950446 523217675 /nfs/dbraw/zinc/21/76/75/523217675.db2.gz CWJMMUPQCQEQMI-UHFFFAOYSA-N 0 0 442.585 3.901 50 0 IHAARN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000012933615 523225071 /nfs/dbraw/zinc/22/50/71/523225071.db2.gz VTWZATPSLNQARZ-UHFFFAOYSA-N 0 0 435.977 3.856 50 0 IHAARN COc1ccc(-c2nn(CN(C)Cc3ccc(OC)c(OC)c3)c(=S)o2)c(OC)c1 ZINC000020632941 523248193 /nfs/dbraw/zinc/24/81/93/523248193.db2.gz LVTLYMDECNPZOP-UHFFFAOYSA-N 0 0 431.514 3.996 50 0 IHAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000035684876 523249271 /nfs/dbraw/zinc/24/92/71/523249271.db2.gz VFYDFSZVGCAJPU-LJQANCHMSA-N 0 0 433.468 3.997 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)c4ccc(F)c(Cl)c4)cc3=O)s2)cc1 ZINC000041078149 523249729 /nfs/dbraw/zinc/24/97/29/523249729.db2.gz QAAATLIGOYVTIE-UHFFFAOYSA-N 0 0 444.875 3.549 50 0 IHAARN CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC[C@H]2c2ccccn2)nn1 ZINC000012164745 523254068 /nfs/dbraw/zinc/25/40/68/523254068.db2.gz SACOQNABIMKMET-NRFANRHFSA-N 0 0 435.503 3.780 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)o2)cc1 ZINC000018480242 523268153 /nfs/dbraw/zinc/26/81/53/523268153.db2.gz MOUXSMXOEDZANZ-SJCJKPOMSA-N 0 0 425.466 3.853 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1cccc(O)c1 ZINC000012559440 523270246 /nfs/dbraw/zinc/27/02/46/523270246.db2.gz IVIHSQCTVAQPAE-AQTBWJFISA-N 0 0 447.944 3.520 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012552054 523275686 /nfs/dbraw/zinc/27/56/86/523275686.db2.gz VBPGGGCAGXDTBL-UHFFFAOYSA-N 0 0 438.505 3.531 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1=O ZINC000022583606 523282294 /nfs/dbraw/zinc/28/22/94/523282294.db2.gz CRWJFBNYJVEBIG-UHFFFAOYSA-N 0 0 438.959 3.645 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1OC ZINC000021531460 523286258 /nfs/dbraw/zinc/28/62/58/523286258.db2.gz IEEXHOFSHSSKEV-UHFFFAOYSA-N 0 0 442.560 3.805 50 0 IHAARN COc1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)n2)cc1OC ZINC000012415003 523295154 /nfs/dbraw/zinc/29/51/54/523295154.db2.gz PHLUJJGISMKHEY-UHFFFAOYSA-N 0 0 440.456 3.936 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)n2)cc1OC ZINC000013362631 523298039 /nfs/dbraw/zinc/29/80/39/523298039.db2.gz ZJCJAGAMVNGVEV-UHFFFAOYSA-N 0 0 444.438 3.887 50 0 IHAARN COc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000021168927 523314919 /nfs/dbraw/zinc/31/49/19/523314919.db2.gz YXVFXBFOQJKBFE-UHFFFAOYSA-N 0 0 439.497 3.944 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3F)c3ccccc3c2=O)c(OC)c1 ZINC000020768830 523342407 /nfs/dbraw/zinc/34/24/07/523342407.db2.gz CKUIJTGDIPUJFO-UHFFFAOYSA-N 0 0 437.402 3.933 50 0 IHAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC000036006253 523345826 /nfs/dbraw/zinc/34/58/26/523345826.db2.gz VEBMEKNMKYEGLC-UHFFFAOYSA-N 0 0 448.571 3.705 50 0 IHAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)cc(C)c1 ZINC000021855420 523363058 /nfs/dbraw/zinc/36/30/58/523363058.db2.gz DQWLBUBTUFQRDJ-SANMLTNESA-N 0 0 446.551 3.739 50 0 IHAARN CN(Cc1ccco1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000012195294 523427954 /nfs/dbraw/zinc/42/79/54/523427954.db2.gz MYNGWZGQLUJBRE-OAQYLSRUSA-N 0 0 434.414 3.506 50 0 IHAARN COCCCn1c(C(=O)NCc2ccccc2Cl)cc2c1nc1c(C)cccn1c2=O ZINC000012421598 523500150 /nfs/dbraw/zinc/50/01/50/523500150.db2.gz UTJVRHCFQSPHRV-UHFFFAOYSA-N 0 0 438.915 3.578 50 0 IHAARN COC(=O)[C@@H](CCSC)NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl ZINC000041156285 523574980 /nfs/dbraw/zinc/57/49/80/523574980.db2.gz KUATXZYFPXVLPL-OAHLLOKOSA-N 0 0 439.990 3.755 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 ZINC000012551861 523574947 /nfs/dbraw/zinc/57/49/47/523574947.db2.gz VMDPDMHZEHZCBX-LJQANCHMSA-N 0 0 438.499 3.617 50 0 IHAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Cc1ccccc1 ZINC000035809350 523645088 /nfs/dbraw/zinc/64/50/88/523645088.db2.gz GNWUCPHJOUATIL-UHFFFAOYSA-N 0 0 448.563 3.877 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F)C(=O)C(C)C ZINC000035961491 523652652 /nfs/dbraw/zinc/65/26/52/523652652.db2.gz TWNZTLUONBSUCM-JOCHJYFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1)C(=O)C(C)C ZINC000035961600 523653410 /nfs/dbraw/zinc/65/34/10/523653410.db2.gz GQTDGFXEELNWMW-QFIPXVFZSA-N 0 0 425.504 3.634 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)NC(C)C ZINC000035948969 523655391 /nfs/dbraw/zinc/65/53/91/523655391.db2.gz MILYGOBPSLEPQM-QGZVFWFLSA-N 0 0 448.614 3.862 50 0 IHAARN CCc1c(-c2ccccc2)n(-c2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000000720088 523676332 /nfs/dbraw/zinc/67/63/32/523676332.db2.gz QDMKSFGLJQCAOX-UHFFFAOYSA-N 0 0 433.899 3.558 50 0 biogenic,in-vitro IHAARN COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1Br ZINC000012925735 523723731 /nfs/dbraw/zinc/72/37/31/523723731.db2.gz TZQPGFVIRKMLBY-IBGZPJMESA-N 0 0 433.346 3.569 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)c(OC)c1OC ZINC000012712451 523727397 /nfs/dbraw/zinc/72/73/97/523727397.db2.gz XHIYFIYYKLMTKJ-QGZVFWFLSA-N 0 0 443.450 3.984 50 0 IHAARN CN1C2=NCCN2c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)cc2C1=O ZINC000021883708 523738514 /nfs/dbraw/zinc/73/85/14/523738514.db2.gz LCWXHJSYQSFWLB-UHFFFAOYSA-N 0 0 448.486 3.811 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000012551039 523755900 /nfs/dbraw/zinc/75/59/00/523755900.db2.gz XCVPKRQXYYXWPH-YOEHRIQHSA-N 0 0 446.525 3.533 50 0 IHAARN CCc1cc(C(=O)NC[C@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)n(C)n1 ZINC000014995507 523768012 /nfs/dbraw/zinc/76/80/12/523768012.db2.gz MFJICXKFZIKDPQ-OAHLLOKOSA-N 0 0 443.960 3.548 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1S(=O)(=O)NC(C)C ZINC000021438267 523773930 /nfs/dbraw/zinc/77/39/30/523773930.db2.gz IZLYNVUJIQFHRL-UHFFFAOYSA-N 0 0 434.901 3.803 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000026873711 523779081 /nfs/dbraw/zinc/77/90/81/523779081.db2.gz AAZLDYXOSMUSLY-UHFFFAOYSA-N 0 0 427.486 3.505 50 0 IHAARN COc1ccc(C)cc1CN(C)c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000012744013 523809608 /nfs/dbraw/zinc/80/96/08/523809608.db2.gz NPUMLHQTYLCCRM-UHFFFAOYSA-N 0 0 438.597 3.966 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766699 523820469 /nfs/dbraw/zinc/82/04/69/523820469.db2.gz OZZBCPGPKPUGTO-QFIPXVFZSA-N 0 0 449.576 3.919 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233193 523828210 /nfs/dbraw/zinc/82/82/10/523828210.db2.gz LKZHLEHNWXTOPI-INIZCTEOSA-N 0 0 447.520 3.575 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659323 523828291 /nfs/dbraw/zinc/82/82/91/523828291.db2.gz SPQFIBGLSMVCJV-UHFFFAOYSA-N 0 0 425.466 3.622 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 ZINC000012922547 523857101 /nfs/dbraw/zinc/85/71/01/523857101.db2.gz UGAHASHXODSHMZ-UHFFFAOYSA-N 0 0 426.542 3.956 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000035947591 523875860 /nfs/dbraw/zinc/87/58/60/523875860.db2.gz DBSQAMYFHCIOQF-NRFANRHFSA-N 0 0 435.455 3.877 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c(OC)c1OC ZINC000012852262 523908825 /nfs/dbraw/zinc/90/88/25/523908825.db2.gz PIAKMUVCFSSSJS-UHFFFAOYSA-N 0 0 439.537 3.913 50 0 IHAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1CCc1ccc(Cl)cc1 ZINC000035405788 523914435 /nfs/dbraw/zinc/91/44/35/523914435.db2.gz XHUNLATZLSHQNQ-JOCHJYFZSA-N 0 0 445.972 3.576 50 0 IHAARN COCCNC(=O)c1ccc(OC2CCN(Cc3cccc(C(C)=O)c3)CC2)c(Cl)c1 ZINC000012430977 523926314 /nfs/dbraw/zinc/92/63/14/523926314.db2.gz OUSMYQBLSGPPBR-UHFFFAOYSA-N 0 0 444.959 3.962 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC ZINC000021834355 523926577 /nfs/dbraw/zinc/92/65/77/523926577.db2.gz YELLCQDCGPXHIC-UHFFFAOYSA-N 0 0 427.526 3.721 50 0 IHAARN CC[C@H](C)N1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021866449 523948054 /nfs/dbraw/zinc/94/80/54/523948054.db2.gz UAKCJZTYHZPSKA-BSEYFRJRSA-N 0 0 442.535 3.811 50 0 IHAARN COc1ccc(CCNC(=O)[C@@]2(C)CCC(=O)N2Cc2ccc(F)cc2Cl)cc1OC ZINC000012730966 523966331 /nfs/dbraw/zinc/96/63/31/523966331.db2.gz ZACNCUOEUMFYIQ-HSZRJFAPSA-N 0 0 448.922 3.736 50 0 IHAARN COc1ccc(CCNC(=O)c2sc(=S)n(-c3ccccc3F)c2N)cc1OC ZINC000032952197 523972506 /nfs/dbraw/zinc/97/25/06/523972506.db2.gz GUQTXCZPNAGLKP-UHFFFAOYSA-N 0 0 433.530 3.979 50 0 IHAARN CCc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768836 523975206 /nfs/dbraw/zinc/97/52/06/523975206.db2.gz ZGDWJVSULHUHJT-MRXNPFEDSA-N 0 0 440.565 3.739 50 0 IHAARN COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 ZINC000012873011 523985695 /nfs/dbraw/zinc/98/56/95/523985695.db2.gz BGCDTOSHNMNQDL-UHFFFAOYSA-N 0 0 439.581 3.881 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@H]12 ZINC000035871258 523990074 /nfs/dbraw/zinc/99/00/74/523990074.db2.gz MABHRRZESVNLRZ-QKYXUNIQSA-N 0 0 432.490 3.883 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1F ZINC000012766943 523999735 /nfs/dbraw/zinc/99/97/35/523999735.db2.gz WVSRVEGNEANKEB-UHFFFAOYSA-N 0 0 434.533 3.527 50 0 IHAARN COc1ccc(CN2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1F ZINC000022784157 524031895 /nfs/dbraw/zinc/03/18/95/524031895.db2.gz ZDUGQCBEKXHFNY-GOSISDBHSA-N 0 0 443.588 3.869 50 0 IHAARN COc1ccc(CN2CCN(Cc3cc(=O)c4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000020916128 524033011 /nfs/dbraw/zinc/03/30/11/524033011.db2.gz YYGFLIPPKVQDFV-QFIPXVFZSA-N 0 0 435.568 3.635 50 0 IHAARN COc1ccc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)cc1 ZINC000022931558 524033101 /nfs/dbraw/zinc/03/31/01/524033101.db2.gz PFEWSXYBFLIPAO-UHFFFAOYSA-N 0 0 446.576 3.978 50 0 IHAARN COc1ccc(CN2CCOCC2)cc1OCC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000020601668 524035891 /nfs/dbraw/zinc/03/58/91/524035891.db2.gz PTDBKFONIFTHTJ-FQEVSTJZSA-N 0 0 428.529 3.584 50 0 IHAARN CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(I)cc1 ZINC000012416627 524047125 /nfs/dbraw/zinc/04/71/25/524047125.db2.gz VHGTVAZCSAJJRB-KRWDZBQOSA-N 0 0 444.276 3.676 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)c(OC)c1 ZINC000012094147 524048498 /nfs/dbraw/zinc/04/84/98/524048498.db2.gz OEZYHYBJHZAHCV-KRWDZBQOSA-N 0 0 443.544 3.764 50 0 IHAARN COc1ccc(CNC(=O)COC(=O)c2ccsc2-n2c(C)ccc2C)cc1OC ZINC000022533203 524052380 /nfs/dbraw/zinc/05/23/80/524052380.db2.gz PAHZQBMIZYPBMB-UHFFFAOYSA-N 0 0 428.510 3.646 50 0 IHAARN COc1ccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000035533630 524053851 /nfs/dbraw/zinc/05/38/51/524053851.db2.gz ICULGEHYDJONRB-AWEZNQCLSA-N 0 0 443.598 3.740 50 0 IHAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)c4cccc(Br)c4)CC3)c2c1 ZINC000032996686 524103860 /nfs/dbraw/zinc/10/38/60/524103860.db2.gz RRJIBFSXAWQKQC-UHFFFAOYSA-N 0 0 444.354 3.965 50 0 IHAARN Cc1cccc(-c2ccc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nn2)c1 ZINC000035398436 524108682 /nfs/dbraw/zinc/10/86/82/524108682.db2.gz MBKCRQYHZVTENQ-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000012562378 524116334 /nfs/dbraw/zinc/11/63/34/524116334.db2.gz JXPVSDZTCOWLNX-UHFFFAOYSA-N 0 0 427.961 3.918 50 0 IHAARN Cc1ccc(C)c(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020979594 524119211 /nfs/dbraw/zinc/11/92/11/524119211.db2.gz UVFURMYKUDCQCN-MOPGFXCFSA-N 0 0 438.471 3.930 50 0 IHAARN Cc1ccc(C)c(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020979576 524120295 /nfs/dbraw/zinc/12/02/95/524120295.db2.gz UVFURMYKUDCQCN-RBUKOAKNSA-N 0 0 438.471 3.930 50 0 IHAARN Cc1cccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(Oc3ccc4c(c3)OCO4)n2)c1 ZINC000035989784 524121336 /nfs/dbraw/zinc/12/13/36/524121336.db2.gz ZAOQYZCTZBDRJH-SFHVURJKSA-N 0 0 433.464 3.882 50 0 IHAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nn32)c1 ZINC000033260238 524128551 /nfs/dbraw/zinc/12/85/51/524128551.db2.gz URKWMLWJTRSJBN-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Br)c1 ZINC000012889799 524135201 /nfs/dbraw/zinc/13/52/01/524135201.db2.gz WNXUINJNAVHBSW-UHFFFAOYSA-N 0 0 432.362 3.595 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccco4)nc23)c1 ZINC000020516438 524197882 /nfs/dbraw/zinc/19/78/82/524197882.db2.gz OZXIXNXTMDCHGM-UHFFFAOYSA-N 0 0 439.522 3.994 50 0 IHAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c1 ZINC000012775452 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COc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn32)cc1OC ZINC000013362731 524712477 /nfs/dbraw/zinc/71/24/77/524712477.db2.gz SGKXHEJHNROCQR-UHFFFAOYSA-N 0 0 431.496 3.994 50 0 IHAARN COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012516867 524776660 /nfs/dbraw/zinc/77/66/60/524776660.db2.gz WCXKNEUMTLDELG-HNNXBMFYSA-N 0 0 427.526 3.667 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)c1 ZINC000023909069 524827781 /nfs/dbraw/zinc/82/77/81/524827781.db2.gz ZSOSMMQICVCOMJ-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000021656473 524832709 /nfs/dbraw/zinc/83/27/09/524832709.db2.gz FLKBAKYIXRPNHV-SFHVURJKSA-N 0 0 448.523 3.819 50 0 IHAARN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1 ZINC000012525828 524867312 /nfs/dbraw/zinc/86/73/12/524867312.db2.gz PTBQMCBFBXDFKU-ZIAGYGMSSA-N 0 0 442.459 3.756 50 0 IHAARN COc1ccc(OC)c([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000017197825 524899313 /nfs/dbraw/zinc/89/93/13/524899313.db2.gz YJRHKCGDMIEMAF-CMJOXMDJSA-N 0 0 439.537 3.669 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000022799830 524913067 /nfs/dbraw/zinc/91/30/67/524913067.db2.gz GMTZVTJMLSKZJT-GZKVFJCDSA-N 0 0 449.595 3.698 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045280 524916522 /nfs/dbraw/zinc/91/65/22/524916522.db2.gz YONPYYGRRBHOQI-NHCUHLMSSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCCC(C)C)c1 ZINC000036045589 524917425 /nfs/dbraw/zinc/91/74/25/524917425.db2.gz GSSBUJIKLYNSLF-RTWAWAEBSA-N 0 0 442.531 3.861 50 0 IHAARN Cc1ccc(N2C(NC3=NC4=Nc5ccccc5C4=N3)=N[C@@]23c2ccccc2NC3=O)cc1C ZINC000012407278 524933201 /nfs/dbraw/zinc/93/32/01/524933201.db2.gz IXPAHXMTOBNOIM-SANMLTNESA-N 0 0 445.486 3.777 50 0 IHAARN Cc1cccc2c1ncn(CC(=O)OCC(=O)Nc1ccc(Oc3ccccc3)cc1)c2=O ZINC000018397855 524966492 /nfs/dbraw/zinc/96/64/92/524966492.db2.gz YDOJFNSBPUWXMP-UHFFFAOYSA-N 0 0 443.459 3.679 50 0 IHAARN C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(S(C)(=O)=O)cc1 ZINC000012559694 524994133 /nfs/dbraw/zinc/99/41/33/524994133.db2.gz IHTPQBSMQHXNHA-HNNXBMFYSA-N 0 0 439.562 3.886 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1OC ZINC000015358385 525015348 /nfs/dbraw/zinc/01/53/48/525015348.db2.gz VOFPDFBYQUVREC-UHFFFAOYSA-N 0 0 443.468 3.667 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4OC)s3)CC2)cc1 ZINC000035597013 525021962 /nfs/dbraw/zinc/02/19/62/525021962.db2.gz IPXAMLHJAWCTLT-UHFFFAOYSA-N 0 0 445.566 3.791 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccc(C)cc1 ZINC000012914573 525027729 /nfs/dbraw/zinc/02/77/29/525027729.db2.gz DZISBOWMQATQIK-UHFFFAOYSA-N 0 0 430.570 3.841 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1cccc(C(F)(F)F)c1)nc2C ZINC000012228543 525032989 /nfs/dbraw/zinc/03/29/89/525032989.db2.gz UJJZSWHQOCXZDK-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000012593270 525043493 /nfs/dbraw/zinc/04/34/93/525043493.db2.gz QDGOCCVGGADIFB-UHFFFAOYSA-N 0 0 425.492 3.953 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000012803282 525045566 /nfs/dbraw/zinc/04/55/66/525045566.db2.gz AUVCDSOMFSMKIE-RBUKOAKNSA-N 0 0 434.536 3.757 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000012803276 525046448 /nfs/dbraw/zinc/04/64/48/525046448.db2.gz AUVCDSOMFSMKIE-RTBURBONSA-N 0 0 434.536 3.757 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000015906494 525049438 /nfs/dbraw/zinc/04/94/38/525049438.db2.gz SQTZMEJTBPEGQV-OKILXGFUSA-N 0 0 442.459 3.756 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)cc1OC ZINC000011955319 525071475 /nfs/dbraw/zinc/07/14/75/525071475.db2.gz ZVVDALWAIYGVST-QGZVFWFLSA-N 0 0 449.479 3.524 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2F)c2cccs2)cc1 ZINC000015780807 525091374 /nfs/dbraw/zinc/09/13/74/525091374.db2.gz IAUPAJNNMRHPPH-SFHVURJKSA-N 0 0 437.489 3.980 50 0 IHAARN Cc1cc(NC(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000040062754 525101793 /nfs/dbraw/zinc/10/17/93/525101793.db2.gz ZCXFMUMHGVAHFW-BTKRWWFXSA-N 0 0 445.488 3.815 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1F ZINC000035425122 525108009 /nfs/dbraw/zinc/10/80/09/525108009.db2.gz VHNXGWYSFDHROT-UHFFFAOYSA-N 0 0 443.438 3.923 50 0 IHAARN Cc1cc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000021273616 525136369 /nfs/dbraw/zinc/13/63/69/525136369.db2.gz BJXLITHEMZOKFW-UHFFFAOYSA-N 0 0 437.880 3.605 50 0 IHAARN Cc1cc(NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)n(-c2ccc(C)cc2)n1 ZINC000012794525 525159147 /nfs/dbraw/zinc/15/91/47/525159147.db2.gz GDDGJJGNPACFQI-UHFFFAOYSA-N 0 0 433.541 3.812 50 0 IHAARN C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 ZINC000012782718 525160873 /nfs/dbraw/zinc/16/08/73/525160873.db2.gz IUIGUKFIVQFEDY-IRXDYDNUSA-N 0 0 440.515 3.758 50 0 IHAARN Cc1cc(NC(=O)Cc2cccs2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012921583 525164716 /nfs/dbraw/zinc/16/47/16/525164716.db2.gz QHZFJKMYWUPULZ-UHFFFAOYSA-N 0 0 428.535 3.894 50 0 IHAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 ZINC000014394928 525173837 /nfs/dbraw/zinc/17/38/37/525173837.db2.gz HQEBXSHMCGOQKB-RBNVVWFDSA-N 0 0 448.523 3.547 50 0 IHAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC000036762560 525225060 /nfs/dbraw/zinc/22/50/60/525225060.db2.gz JPIUAGHLOIWSOG-UHFFFAOYSA-N 0 0 438.553 3.578 50 0 IHAARN Cc1cc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1Br ZINC000012775995 525229358 /nfs/dbraw/zinc/22/93/58/525229358.db2.gz XCXVNABXDGKNGM-OAHLLOKOSA-N 0 0 431.377 3.761 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c(OC)c1 ZINC000015670328 525235892 /nfs/dbraw/zinc/23/58/92/525235892.db2.gz KBDOGSAREUCWGC-SFHVURJKSA-N 0 0 442.479 3.524 50 0 IHAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1F ZINC000012560757 525244926 /nfs/dbraw/zinc/24/49/26/525244926.db2.gz ZVBPRVSYXBYQCE-UHFFFAOYSA-N 0 0 428.441 3.916 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc3c(cc2Br)OCO3)c1 ZINC000012582264 525248664 /nfs/dbraw/zinc/24/86/64/525248664.db2.gz IVNNOQBHKIXQQH-UHFFFAOYSA-N 0 0 447.690 3.592 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059820 525254809 /nfs/dbraw/zinc/25/48/09/525254809.db2.gz BIYUVEABGBFIHG-VXKWHMMOSA-N 0 0 438.568 3.998 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059732 525257085 /nfs/dbraw/zinc/25/70/85/525257085.db2.gz RBZIIQFVSVQXKF-SFTDATJTSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059811 525257231 /nfs/dbraw/zinc/25/72/31/525257231.db2.gz NNELAFXLGBSAON-BJKOFHAPSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(COc3ccc(F)cc3)o2)n1 ZINC000016678013 525276278 /nfs/dbraw/zinc/27/62/78/525276278.db2.gz BNQZLMJJXYFVPQ-UHFFFAOYSA-N 0 0 439.476 3.899 50 0 IHAARN Cc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000012793536 525278750 /nfs/dbraw/zinc/27/87/50/525278750.db2.gz CCQOPHNZTFFUEP-UHFFFAOYSA-N 0 0 445.368 3.814 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c(F)c1 ZINC000012734587 525298367 /nfs/dbraw/zinc/29/83/67/525298367.db2.gz DCGCIDDFKCQGIF-UHFFFAOYSA-N 0 0 428.272 3.788 50 0 IHAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 ZINC000032970936 525298897 /nfs/dbraw/zinc/29/88/97/525298897.db2.gz YKFUYJBGOJUHLW-WZONZLPQSA-N 0 0 440.503 3.910 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000012935158 525325569 /nfs/dbraw/zinc/32/55/69/525325569.db2.gz QZLRHCBWXFMNOZ-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 ZINC000022471139 525369121 /nfs/dbraw/zinc/36/91/21/525369121.db2.gz KKEJFLZLDFBMFG-UGKGYDQZSA-N 0 0 447.539 3.578 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)C1 ZINC000014378474 525387472 /nfs/dbraw/zinc/38/74/72/525387472.db2.gz MRFSZXWJYLCFMH-GASCZTMLSA-N 0 0 433.599 3.941 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(F)ccc2Br)c1C ZINC000014643872 525390238 /nfs/dbraw/zinc/39/02/38/525390238.db2.gz NTEIHLBHKFETBW-UHFFFAOYSA-N 0 0 429.311 3.708 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC2CC2)c(OC)c1 ZINC000036061935 525421949 /nfs/dbraw/zinc/42/19/49/525421949.db2.gz ZXKSDACQDZXVSW-UXHICEINSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1ccc(OCCSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1 ZINC000021127246 525425199 /nfs/dbraw/zinc/42/51/99/525425199.db2.gz NNGNYQJIBSTAAB-UHFFFAOYSA-N 0 0 439.581 3.598 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035529801 525432487 /nfs/dbraw/zinc/43/24/87/525432487.db2.gz FEOFREAGXWNSFN-UHFFFAOYSA-N 0 0 447.560 3.819 50 0 IHAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCCOC(C)C)cc1 ZINC000020939022 525441259 /nfs/dbraw/zinc/44/12/59/525441259.db2.gz UPCLAGWRLZZPNL-DEOSSOPVSA-N 0 0 449.551 3.663 50 0 IHAARN Cc1cccn2cc(CN3CCN(C(=O)Cc4ccc5ccccc5c4)CCC3=O)nc12 ZINC000012162226 525471112 /nfs/dbraw/zinc/47/11/12/525471112.db2.gz UOQGUPXMONGUGF-UHFFFAOYSA-N 0 0 426.520 3.600 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000015390785 525526864 /nfs/dbraw/zinc/52/68/64/525526864.db2.gz OBLVRCSMNIROHH-HXUWFJFHSA-N 0 0 434.989 3.941 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000021705909 525529146 /nfs/dbraw/zinc/52/91/46/525529146.db2.gz XLGQYLGVWCQNQW-GTJPDFRWSA-N 0 0 432.307 3.738 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)c1 ZINC000035596945 525534888 /nfs/dbraw/zinc/53/48/88/525534888.db2.gz FSONELVFOLIXPH-KRWDZBQOSA-N 0 0 441.509 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1C ZINC000035596943 525535070 /nfs/dbraw/zinc/53/50/70/525535070.db2.gz DHLZGIGGWSPPHO-KRWDZBQOSA-N 0 0 441.509 3.650 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000035911077 525550250 /nfs/dbraw/zinc/55/02/50/525550250.db2.gz SKXHRHIGKQHCIB-ZJSXRUAMSA-N 0 0 437.584 3.734 50 0 IHAARN CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035877035 525551054 /nfs/dbraw/zinc/55/10/54/525551054.db2.gz MKQCTEQDNIYCNA-FGZHOGPDSA-N 0 0 425.598 3.701 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000012762237 525553250 /nfs/dbraw/zinc/55/32/50/525553250.db2.gz NLFYBTLLXYUERB-WOJBJXKFSA-N 0 0 432.973 3.792 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(F)c4)sc3C2)cc1 ZINC000021654722 525554489 /nfs/dbraw/zinc/55/44/89/525554489.db2.gz VVIAGYSCDJCXLB-UHFFFAOYSA-N 0 0 431.514 3.590 50 0 IHAARN Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000012217339 525569202 /nfs/dbraw/zinc/56/92/02/525569202.db2.gz FRXAYNJORZSCFI-UHFFFAOYSA-N 0 0 427.574 3.640 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(C)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535220 525604818 /nfs/dbraw/zinc/60/48/18/525604818.db2.gz OCBMPAFHPJWIII-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000020606599 525614692 /nfs/dbraw/zinc/61/46/92/525614692.db2.gz YFXVWHXCZMLBIG-QGZVFWFLSA-N 0 0 435.267 3.932 50 0 IHAARN COc1ccc2cc(C(=O)NCC(=O)Nc3ccccc3Br)c(C)nc2c1 ZINC000012769911 525623536 /nfs/dbraw/zinc/62/35/36/525623536.db2.gz GAUDKPHUVJXQBY-UHFFFAOYSA-N 0 0 428.286 3.683 50 0 IHAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000024611918 525656903 /nfs/dbraw/zinc/65/69/03/525656903.db2.gz BNHGKWRUNROWSY-UHFFFAOYSA-N 0 0 446.638 3.754 50 0 IHAARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)sc2nc3n(c(=O)c12)CCC3 ZINC000012856207 525669434 /nfs/dbraw/zinc/66/94/34/525669434.db2.gz VDGSDHURZJDELF-SNVBAGLBSA-N 0 0 449.891 3.689 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccccc3C)cc(=O)n2o1 ZINC000035448190 525671830 /nfs/dbraw/zinc/67/18/30/525671830.db2.gz VYMHFLZYSRIGAJ-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)CCc4ccccc4)cc3)cc(=O)n2o1 ZINC000015772218 525672631 /nfs/dbraw/zinc/67/26/31/525672631.db2.gz XXSZVVVLYDRFGZ-UHFFFAOYSA-N 0 0 431.448 3.524 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)nc23)cc1 ZINC000033309378 525674319 /nfs/dbraw/zinc/67/43/19/525674319.db2.gz AHZDLMBCKPSAQB-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4c(C)cccc4C)c3)cc(=O)n2o1 ZINC000035378582 525674406 /nfs/dbraw/zinc/67/44/06/525674406.db2.gz BYAVIRFWVIJOBV-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)cc(=O)n2o1 ZINC000035429583 525675424 /nfs/dbraw/zinc/67/54/24/525675424.db2.gz JILLBPYZRGIIJQ-UHFFFAOYSA-N 0 0 432.462 3.523 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(C)cc2)c(C)n3C)c1 ZINC000035448591 525711161 /nfs/dbraw/zinc/71/11/61/525711161.db2.gz UWQRAUAJAMWZOH-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1cccc(-c2cn3c(C(=O)NCc4nnc(-c5ccccc5)[nH]4)csc3n2)c1 ZINC000012446936 525716070 /nfs/dbraw/zinc/71/60/70/525716070.db2.gz ZUXKHAHIPFOFNE-UHFFFAOYSA-N 0 0 430.493 3.787 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)ccn3n2)cc1 ZINC000012414409 525735919 /nfs/dbraw/zinc/73/59/19/525735919.db2.gz HUQOSZGLTQYQHT-UHFFFAOYSA-N 0 0 437.297 3.873 50 0 IHAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nn2)cc1 ZINC000035398188 525753401 /nfs/dbraw/zinc/75/34/01/525753401.db2.gz SNANRMALPKGZTF-FQEVSTJZSA-N 0 0 430.508 3.714 50 0 IHAARN CSCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000015707615 525764647 /nfs/dbraw/zinc/76/46/47/525764647.db2.gz JKCGVLHBSNTCNI-UHFFFAOYSA-N 0 0 425.482 3.534 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(F)c3)CC2)c1 ZINC000035769156 525803950 /nfs/dbraw/zinc/80/39/50/525803950.db2.gz AVDWZDCEAIQKQN-UHFFFAOYSA-N 0 0 434.515 3.794 50 0 IHAARN COc1cccc(C(=O)Nc2cccc([C@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1 ZINC000035707618 525836864 /nfs/dbraw/zinc/83/68/64/525836864.db2.gz MGVAXJLXVIZHFI-OAQYLSRUSA-N 0 0 437.496 3.869 50 0 IHAARN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000022290210 525855540 /nfs/dbraw/zinc/85/55/40/525855540.db2.gz RFJOVUBFRHCZRG-UHFFFAOYSA-N 0 0 428.587 3.623 50 0 IHAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccccc5)CC4)nn32)cc1 ZINC000033260261 525861338 /nfs/dbraw/zinc/86/13/38/525861338.db2.gz YAHJWEMCJCPWRR-UHFFFAOYSA-N 0 0 426.524 3.633 50 0 IHAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NC4CCCC4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655341 525871525 /nfs/dbraw/zinc/87/15/25/525871525.db2.gz BFGXMEXEDDHIGC-UHFFFAOYSA-N 0 0 443.507 3.789 50 0 IHAARN C[C@@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1 ZINC000021414987 525895754 /nfs/dbraw/zinc/89/57/54/525895754.db2.gz SIXQOAMMGWCKAE-CQSZACIVSA-N 0 0 439.443 3.572 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1-c1ccccc1 ZINC000040088215 525930737 /nfs/dbraw/zinc/93/07/37/525930737.db2.gz YNYANJFMAZLKIZ-LBPRGKRZSA-N 0 0 435.709 3.767 50 0 IHAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)N2CCc4ccccc42)nc3C(C)C)cc1C ZINC000012229135 525931881 /nfs/dbraw/zinc/93/18/81/525931881.db2.gz WYNPKZDCHPFDKZ-UHFFFAOYSA-N 0 0 441.535 3.912 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000020868166 525932823 /nfs/dbraw/zinc/93/28/23/525932823.db2.gz RYIBVLALZRYABV-HXUWFJFHSA-N 0 0 427.508 3.861 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1ccc(F)cc1)nc2C ZINC000020563677 525934217 /nfs/dbraw/zinc/93/42/17/525934217.db2.gz AQTONHRIBZYFAR-QGZVFWFLSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(=O)N[C@@H]1CCCc3ccccc31)nc2C ZINC000020563632 525934570 /nfs/dbraw/zinc/93/45/70/525934570.db2.gz RROYXCDDBLIAKS-JOCHJYFZSA-N 0 0 441.535 3.701 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4F)cc3)cc2=O)s1 ZINC000021633286 525941326 /nfs/dbraw/zinc/94/13/26/525941326.db2.gz DULIQFMAGUQWCD-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2=O)s1 ZINC000021633214 525942070 /nfs/dbraw/zinc/94/20/70/525942070.db2.gz CNSIRPYVCNBZET-UHFFFAOYSA-N 0 0 425.491 3.735 50 0 IHAARN C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000012800548 525952942 /nfs/dbraw/zinc/95/29/42/525952942.db2.gz FRGRJQVDPGDRSM-QZTJIDSGSA-N 0 0 441.487 3.833 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000033385247 525955787 /nfs/dbraw/zinc/95/57/87/525955787.db2.gz PNKYCPMEPYHNHV-RAOBZKRQSA-N 0 0 430.913 3.960 50 0 IHAARN Cc1c2ccc(OCC(=O)Nc3ccccc3C(N)=O)cc2oc(=O)c1Cc1ccccc1 ZINC000012888068 525965721 /nfs/dbraw/zinc/96/57/21/525965721.db2.gz FGFYSLCIRKEBMK-UHFFFAOYSA-N 0 0 442.471 3.809 50 0 biogenic IHAARN CSc1ccc(CNC(=O)CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000035374843 525995851 /nfs/dbraw/zinc/99/58/51/525995851.db2.gz MYWJKHVFZHHLOS-UHFFFAOYSA-N 0 0 440.956 3.979 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012601008 526012609 /nfs/dbraw/zinc/01/26/09/526012609.db2.gz GQPRVEZNWDVPBY-CYBMUJFWSA-N 0 0 439.566 3.731 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1C ZINC000012777054 526035578 /nfs/dbraw/zinc/03/55/78/526035578.db2.gz AXMXRYQPLUROBK-UHFFFAOYSA-N 0 0 435.568 3.666 50 0 IHAARN C[C@H](C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000035287166 526070208 /nfs/dbraw/zinc/07/02/08/526070208.db2.gz UPNLMSNJAIQOAC-ZMXOQZSUSA-N 0 0 440.543 3.740 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1F)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937537 526086426 /nfs/dbraw/zinc/08/64/26/526086426.db2.gz HINRCHCIJVOFBE-QGZVFWFLSA-N 0 0 443.544 3.832 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)c3=O)c2c1 ZINC000035424243 526110061 /nfs/dbraw/zinc/11/00/61/526110061.db2.gz ZRLRPYGOTPLNQW-UHFFFAOYSA-N 0 0 449.942 3.579 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(CC(C)(C)C)s4)CC3=O)c2c1 ZINC000021785362 526112753 /nfs/dbraw/zinc/11/27/53/526112753.db2.gz NLPZPRZGAHPSHZ-MRXNPFEDSA-N 0 0 439.585 3.946 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(CN4c5ccnn5CCC4=O)cc3)c2c1 ZINC000035373738 526114488 /nfs/dbraw/zinc/11/44/88/526114488.db2.gz ISJAPNUEDWFHEU-UHFFFAOYSA-N 0 0 427.508 3.582 50 0 IHAARN COc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862545 526139777 /nfs/dbraw/zinc/13/97/77/526139777.db2.gz IOPOIOPNFVBBKA-AREMUKBSSA-N 0 0 446.551 3.925 50 0 IHAARN Cc1cc(=O)n2nc(C3CCCCC3)nc2n1CC(=O)Nc1ccc(Br)cc1 ZINC000021803117 526142057 /nfs/dbraw/zinc/14/20/57/526142057.db2.gz HHPQFUBBDKSUJV-UHFFFAOYSA-N 0 0 444.333 3.648 50 0 IHAARN COc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c1 ZINC000033277999 526185890 /nfs/dbraw/zinc/18/58/90/526185890.db2.gz DVOOTUXJFSYSBW-UHFFFAOYSA-N 0 0 449.511 3.688 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000012854266 526205365 /nfs/dbraw/zinc/20/53/65/526205365.db2.gz NXEMOFOAVWHRCX-RXFWQSSRSA-N 0 0 449.551 3.640 50 0 IHAARN COc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000012809061 526206354 /nfs/dbraw/zinc/20/63/54/526206354.db2.gz DMRAGZUTFPEOFA-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)cc(=O)n2c1 ZINC000041086270 526250867 /nfs/dbraw/zinc/25/08/67/526250867.db2.gz DCZHLOGNFSXUCP-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000012928803 526258319 /nfs/dbraw/zinc/25/83/19/526258319.db2.gz RHKKPHKSXAXHQV-GUYCJALGSA-N 0 0 429.380 3.542 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009665722 526258772 /nfs/dbraw/zinc/25/87/72/526258772.db2.gz IKCQPAZVCIGFOU-IBGZPJMESA-N 0 0 435.929 3.536 50 0 IHAARN Cc1nn(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12 ZINC000012916036 526268938 /nfs/dbraw/zinc/26/89/38/526268938.db2.gz RCXNWYNXDNDDFR-KRWDZBQOSA-N 0 0 440.503 3.835 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)cc12 ZINC000012736335 526289777 /nfs/dbraw/zinc/28/97/77/526289777.db2.gz FPZGGJVSZJJZFL-NRFANRHFSA-N 0 0 440.613 3.850 50 0 IHAARN Cc1nn([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466908 526301819 /nfs/dbraw/zinc/30/18/19/526301819.db2.gz PNPOWQMBTCWVGF-SFHVURJKSA-N 0 0 446.576 3.825 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 ZINC000012766133 526308112 /nfs/dbraw/zinc/30/81/12/526308112.db2.gz WJLYHLABWDPHFI-INIZCTEOSA-N 0 0 446.479 3.507 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000012774242 526308483 /nfs/dbraw/zinc/30/84/83/526308483.db2.gz CCKOIRAPMLIAOU-KRWDZBQOSA-N 0 0 438.553 3.846 50 0 IHAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575473 526314506 /nfs/dbraw/zinc/31/45/06/526314506.db2.gz KYIQVABLKFCBCY-UHFFFAOYSA-N 0 0 433.943 3.922 50 0 IHAARN O=C(NCCS(=O)(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000091695069 526369173 /nfs/dbraw/zinc/36/91/73/526369173.db2.gz FJABLGDILWBQEC-UHFFFAOYSA-N 0 0 427.231 3.611 50 0 IHAARN O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)NCCC1=CCCCC1 ZINC000035514951 526378570 /nfs/dbraw/zinc/37/85/70/526378570.db2.gz QNWOCVMCERWYTJ-UHFFFAOYSA-N 0 0 441.601 3.517 50 0 IHAARN Cc1csc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)n1 ZINC000012140571 526385998 /nfs/dbraw/zinc/38/59/98/526385998.db2.gz YTQBFOWCBSMYHG-UHFFFAOYSA-N 0 0 444.607 3.993 50 0 IHAARN S=c1n(CN2CCN(C/C=C/c3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000022029573 526387809 /nfs/dbraw/zinc/38/78/09/526387809.db2.gz ZMXQQIMLLNVVPA-QPJJXVBHSA-N 0 0 426.977 3.740 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033268489 526394720 /nfs/dbraw/zinc/39/47/20/526394720.db2.gz JHOSHNIGEBJPEC-QHCPKHFHSA-N 0 0 446.532 3.543 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012194954 526395031 /nfs/dbraw/zinc/39/50/31/526395031.db2.gz PNPORJRYTAHIER-UHFFFAOYSA-N 0 0 431.945 3.724 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195511 526395362 /nfs/dbraw/zinc/39/53/62/526395362.db2.gz CXCILSKABUQSJZ-UHFFFAOYSA-N 0 0 431.945 3.724 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012194971 526403577 /nfs/dbraw/zinc/40/35/77/526403577.db2.gz YLCDEVIHVATOFW-UHFFFAOYSA-N 0 0 427.353 3.896 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cc2n(n1)CCN(Cc1ccccc1)C2=O ZINC000034810831 526405427 /nfs/dbraw/zinc/40/54/27/526405427.db2.gz SJSKXNNJLUAMPT-UHFFFAOYSA-N 0 0 443.334 3.818 50 0 IHAARN O=C(NCCc1ccc(F)cc1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012245131 526409919 /nfs/dbraw/zinc/40/99/19/526409919.db2.gz GYKQOZGRJNMWMA-UHFFFAOYSA-N 0 0 439.531 3.701 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1 ZINC000012844542 526468695 /nfs/dbraw/zinc/46/86/95/526468695.db2.gz NNOMEIDANBWEPA-HXUWFJFHSA-N 0 0 428.529 3.542 50 0 IHAARN O=C([C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000035483095 526469431 /nfs/dbraw/zinc/46/94/31/526469431.db2.gz BRYHIWVMOXTNKK-XMMPIXPASA-N 0 0 441.579 3.704 50 0 IHAARN O=C([C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000238937213 526486632 /nfs/dbraw/zinc/48/66/32/526486632.db2.gz UHYPVKIPAUTKAJ-MXVIHJGJSA-N 0 0 448.542 3.691 50 0 IHAARN c1ccc2oc(-c3ccc(Nc4nc(N5CCCC5)nc(N5CCOCC5)n4)cc3)nc2c1 ZINC000001115084 526520190 /nfs/dbraw/zinc/52/01/90/526520190.db2.gz UQOQQAFEPRTGIR-UHFFFAOYSA-N 0 0 443.511 3.860 50 0 IHAARN O=C(CCS(=O)(=O)c1cccc2nonc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021090226 526538877 /nfs/dbraw/zinc/53/88/77/526538877.db2.gz XRRRFNLBQAKATA-UHFFFAOYSA-N 0 0 433.795 3.698 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1)NCc1ccccc1F ZINC000014967876 526553588 /nfs/dbraw/zinc/55/35/88/526553588.db2.gz OQPNNYDEUCOBJP-IBGZPJMESA-N 0 0 434.515 3.960 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N[C@H](CCn1ccnc1)c1ccccc1 ZINC000012099891 526564558 /nfs/dbraw/zinc/56/45/58/526564558.db2.gz VWTYABMSCRKZEZ-QPPBQGQZSA-N 0 0 436.581 3.864 50 0 IHAARN O=C(CC[C@H]1CCCN(Cc2c(F)ccc(F)c2F)C1)N1CCN(c2ccccn2)CC1 ZINC000012714103 526569821 /nfs/dbraw/zinc/56/98/21/526569821.db2.gz UZSFGNQUFLPCBE-GOSISDBHSA-N 0 0 446.517 3.840 50 0 IHAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000012408660 526577191 /nfs/dbraw/zinc/57/71/91/526577191.db2.gz HBIPDXNYDAIBRN-UHFFFAOYSA-N 0 0 425.916 3.504 50 0 IHAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000020902066 526581299 /nfs/dbraw/zinc/58/12/99/526581299.db2.gz UEEDRULRMFCDEZ-JOCHJYFZSA-N 0 0 434.927 3.589 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 ZINC000022908093 526582171 /nfs/dbraw/zinc/58/21/71/526582171.db2.gz HKYUYCWHZQAKRW-OAQYLSRUSA-N 0 0 425.598 3.803 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F ZINC000022908279 526582417 /nfs/dbraw/zinc/58/24/17/526582417.db2.gz IVZJAJGFNIXTTE-HXUWFJFHSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCCC[C@@H]1c1cccnc1 ZINC000012448488 526604520 /nfs/dbraw/zinc/60/45/20/526604520.db2.gz TYMAPNGKKOWPQC-JOCHJYFZSA-N 0 0 430.468 3.597 50 0 IHAARN O=C(CCc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012525317 526652842 /nfs/dbraw/zinc/65/28/42/526652842.db2.gz DSPHCNDNJADGDW-UHFFFAOYSA-N 0 0 437.503 3.961 50 0 IHAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1nnc2ccccn21 ZINC000021402207 526658008 /nfs/dbraw/zinc/65/80/08/526658008.db2.gz VSYLCUZLYPWVQO-UHFFFAOYSA-N 0 0 430.295 3.983 50 0 IHAARN O=C(CCc1nnc(CCc2ccccc2)o1)N[C@H](CCn1ccnc1)c1ccccc1 ZINC000012445668 526664135 /nfs/dbraw/zinc/66/41/35/526664135.db2.gz HOUXNBSSYJKZQW-JOCHJYFZSA-N 0 0 429.524 3.932 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000018118441 526668338 /nfs/dbraw/zinc/66/83/38/526668338.db2.gz CPURLCJHAXMGBL-UHFFFAOYSA-N 0 0 430.486 3.906 50 0 IHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c12 ZINC000022319791 526677933 /nfs/dbraw/zinc/67/79/33/526677933.db2.gz ROURZLDOKSUDEY-NRFANRHFSA-N 0 0 442.475 3.694 50 0 IHAARN O=C(CCn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCCc1ccc(Cl)cc1 ZINC000032933609 526684456 /nfs/dbraw/zinc/68/44/56/526684456.db2.gz NTRUIZNVWXZAMS-UHFFFAOYSA-N 0 0 440.862 3.593 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676899 526697663 /nfs/dbraw/zinc/69/76/63/526697663.db2.gz ZNFXTSSOEDGGMT-UHFFFAOYSA-N 0 0 428.492 3.749 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035483006 526698899 /nfs/dbraw/zinc/69/88/99/526698899.db2.gz VWKLGZJTAOAZFO-GOSISDBHSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168797 526700247 /nfs/dbraw/zinc/70/02/47/526700247.db2.gz WSEQKDJPWNZWJY-SFHVURJKSA-N 0 0 448.548 3.889 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000021531181 526700303 /nfs/dbraw/zinc/70/03/03/526700303.db2.gz JKEAXEVCJBNXOE-UHFFFAOYSA-N 0 0 448.504 3.885 50 0 IHAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCC(c2ccncc2)CC1 ZINC000012448692 526705843 /nfs/dbraw/zinc/70/58/43/526705843.db2.gz BIYKIHMABCRDOH-UHFFFAOYSA-N 0 0 433.552 3.881 50 0 IHAARN O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012736605 526706762 /nfs/dbraw/zinc/70/67/62/526706762.db2.gz RMTQFKNRYJASRM-UHFFFAOYSA-N 0 0 449.488 3.512 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000020888914 526713630 /nfs/dbraw/zinc/71/36/30/526713630.db2.gz QFQDVMDCBXAABN-QHCPKHFHSA-N 0 0 438.487 3.937 50 0 IHAARN O=C(NCc1cccc(F)c1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000015678047 526720093 /nfs/dbraw/zinc/72/00/93/526720093.db2.gz SOAKAQYLMHQEHM-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000012816990 526760797 /nfs/dbraw/zinc/76/07/97/526760797.db2.gz RKWKWLMFRUVQKY-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000035362712 526766714 /nfs/dbraw/zinc/76/67/14/526766714.db2.gz OMBGKXXMKPMPQI-UHFFFAOYSA-N 0 0 441.553 3.576 50 0 IHAARN O=C(c1ccccc1)N1c2ccccc2C[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000021154979 526795633 /nfs/dbraw/zinc/79/56/33/526795633.db2.gz FIGXXCFYZOHCNN-XMMPIXPASA-N 0 0 429.495 3.746 50 0 IHAARN O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)c1ccccc1F ZINC000021708330 526809683 /nfs/dbraw/zinc/80/96/83/526809683.db2.gz KOTBSFYJXQDYIQ-GOSISDBHSA-N 0 0 427.526 3.781 50 0 IHAARN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)OCc1nc2ccccc2n1C(F)F ZINC000014902498 526855215 /nfs/dbraw/zinc/85/52/15/526855215.db2.gz UUZNOJZXHRJHNQ-UHFFFAOYSA-N 0 0 427.329 3.923 50 0 IHAARN O=C(c1ccsc1)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020996929 526861615 /nfs/dbraw/zinc/86/16/15/526861615.db2.gz CHZDWMBOBWAJDE-ILHLOOHCSA-N 0 0 449.620 3.848 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C3CCCCC3)c2c1C ZINC000022201114 526892221 /nfs/dbraw/zinc/89/22/21/526892221.db2.gz MWHGRKRCPIMGJS-UHFFFAOYSA-N 0 0 445.618 3.783 50 0 IHAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015719801 526900087 /nfs/dbraw/zinc/90/00/87/526900087.db2.gz OJYRRDGGZMGWLF-UHFFFAOYSA-N 0 0 447.969 3.610 50 0 IHAARN Cc1nc(COc2ccccc2C=CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cs1 ZINC000012780625 526910262 /nfs/dbraw/zinc/91/02/62/526910262.db2.gz DVIIMSUYGWXZNR-VAWYXSNFSA-N 0 0 446.532 3.939 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000035479459 526914717 /nfs/dbraw/zinc/91/47/17/526914717.db2.gz FZEXOFMIOZJJRE-HSZRJFAPSA-N 0 0 428.536 3.918 50 0 IHAARN NC(=O)NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000035128527 526925983 /nfs/dbraw/zinc/92/59/83/526925983.db2.gz ZLOLQKJWMUTVAG-QINSGFPZSA-N 0 0 433.439 3.603 50 0 IHAARN O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)N[C@H](CO)Cc1ccccc1 ZINC000012296902 526945271 /nfs/dbraw/zinc/94/52/71/526945271.db2.gz VFDRAKWXEWCQRT-NRFANRHFSA-N 0 0 429.472 3.559 50 0 biogenic IHAARN Cc1nc(N2CCC[C@H]2C(=O)NCc2cccc(-n3cccn3)c2)nc2ccc(F)cc12 ZINC000012149559 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3.604 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nccn1-c1cccc(Cl)c1)CCC2 ZINC000012629300 527021346 /nfs/dbraw/zinc/02/13/46/527021346.db2.gz YZVKLNZYHAOVCD-UHFFFAOYSA-N 0 0 432.958 3.906 50 0 IHAARN O=C1C[C@@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCO2 ZINC000012416028 527024650 /nfs/dbraw/zinc/02/46/50/527024650.db2.gz ODQWKXHQNAKHGX-GFCCVEGCSA-N 0 0 428.242 3.748 50 0 IHAARN O=C1N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000012636197 527039021 /nfs/dbraw/zinc/03/90/21/527039021.db2.gz VWYILPZCEBAWJO-HOTGVXAUSA-N 0 0 430.835 3.971 50 0 IHAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccccc2O)CC1 ZINC000012603755 527056893 /nfs/dbraw/zinc/05/68/93/527056893.db2.gz YVJMORRYHPSVLE-UHFFFAOYSA-N 0 0 448.592 3.898 50 0 IHAARN O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NC1CCCCC1 ZINC000020831544 527084605 /nfs/dbraw/zinc/08/46/05/527084605.db2.gz QCVQUADFLUJELK-UHFFFAOYSA-N 0 0 447.568 3.601 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012526874 527091244 /nfs/dbraw/zinc/09/12/44/527091244.db2.gz MVHVXEGOIWVJPO-INIZCTEOSA-N 0 0 447.442 3.666 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2ccco2)OCC3(C)C)c(=O)n(C)c1=O ZINC000033582162 527091217 /nfs/dbraw/zinc/09/12/17/527091217.db2.gz SXXKLLUJJBAWPY-FQEVSTJZSA-N 0 0 439.899 3.807 50 0 IHAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012789442 527095137 /nfs/dbraw/zinc/09/51/37/527095137.db2.gz KGNVUPPQUCVTDI-UYAOXDASSA-N 0 0 443.960 3.503 50 0 IHAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012789424 527095865 /nfs/dbraw/zinc/09/58/65/527095865.db2.gz KGNVUPPQUCVTDI-ICSRJNTNSA-N 0 0 443.960 3.503 50 0 IHAARN O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 ZINC000041155086 527098683 /nfs/dbraw/zinc/09/86/83/527098683.db2.gz NDGSEJRUKXJGKD-GOSISDBHSA-N 0 0 448.504 3.817 50 0 IHAARN Cc1nc2cc(C(=O)N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 ZINC000089721628 527117680 /nfs/dbraw/zinc/11/76/80/527117680.db2.gz RWOAFUWTAXCTIQ-AUSIDOKSSA-N 0 0 428.536 3.949 50 0 IHAARN Cn1c2nc(Oc3ccccc3Cl)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000693368 527122892 /nfs/dbraw/zinc/12/28/92/527122892.db2.gz ONKQPFCSYYDIFA-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 IHAARN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCn1cnc2ccccc21 ZINC000012548266 527146068 /nfs/dbraw/zinc/14/60/68/527146068.db2.gz ZCXXRDKWLXAONT-HXUWFJFHSA-N 0 0 448.470 3.993 50 0 IHAARN O=S(=O)(N=S1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000020443153 527205875 /nfs/dbraw/zinc/20/58/75/527205875.db2.gz DSFATGMAXPMUDW-UHFFFAOYSA-N 0 0 437.896 3.765 50 0 IHAARN O=S(=O)(NC[C@H](c1c[nH]c2ccccc21)c1cccnc1)c1cccc2nsnc21 ZINC000033062504 527227189 /nfs/dbraw/zinc/22/71/89/527227189.db2.gz DNFYSZVCCLGGDM-INIZCTEOSA-N 0 0 435.534 3.678 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014906168 527240113 /nfs/dbraw/zinc/24/01/13/527240113.db2.gz YNPTXCKMPBDNLO-UHFFFAOYSA-N 0 0 446.422 3.764 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020685744 527283210 /nfs/dbraw/zinc/28/32/10/527283210.db2.gz SZMGQTIJKQYDFG-UHFFFAOYSA-N 0 0 448.532 3.680 50 0 IHAARN O=C(Cc1ccccc1)OCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018098370 527283480 /nfs/dbraw/zinc/28/34/80/527283480.db2.gz VAFYDXBWCNHHKH-TXFWVUOCSA-N 0 0 437.495 3.665 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000035534415 527284914 /nfs/dbraw/zinc/28/49/14/527284914.db2.gz NNGZBYXNQYTODI-UHFFFAOYSA-N 0 0 428.876 3.602 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000015821896 527289004 /nfs/dbraw/zinc/28/90/04/527289004.db2.gz KSNMWVWEGLECFV-UHFFFAOYSA-N 0 0 433.443 3.709 50 0 IHAARN O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2cccc(Br)c2)C1 ZINC000012535738 527311599 /nfs/dbraw/zinc/31/15/99/527311599.db2.gz SXSWMWBLFQFSSA-AUUYWEPGSA-N 0 0 449.370 3.510 50 0 IHAARN NS(=O)(=O)c1ccc(CNC(=O)CCn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000020738688 527311778 /nfs/dbraw/zinc/31/17/78/527311778.db2.gz DSUCVMOOVWRYHH-UHFFFAOYSA-N 0 0 433.533 3.662 50 0 IHAARN O=S1(=O)CC[C@H](NCc2cc3ccc(Cl)cc3nc2OCCc2ccccc2)C1 ZINC000012247534 527312666 /nfs/dbraw/zinc/31/26/66/527312666.db2.gz ASFZNQNCXGWGTE-FQEVSTJZSA-N 0 0 430.957 3.786 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000021709999 527327800 /nfs/dbraw/zinc/32/78/00/527327800.db2.gz DMFHKSWYEWWUDT-KRWDZBQOSA-N 0 0 425.916 3.723 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012779065 527343380 /nfs/dbraw/zinc/34/33/80/527343380.db2.gz VDXRQDWXUSDUKY-UHFFFAOYSA-N 0 0 442.884 3.563 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)s1 ZINC000033113453 527345091 /nfs/dbraw/zinc/34/50/91/527345091.db2.gz IQSCRECGDXXTHI-CZUORRHYSA-N 0 0 449.964 3.512 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995010 527351177 /nfs/dbraw/zinc/35/11/77/527351177.db2.gz XOEHSPODMRZXSJ-OAQYLSRUSA-N 0 0 449.507 3.902 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NCc1ccccc1Cl ZINC000012375521 527351351 /nfs/dbraw/zinc/35/13/51/527351351.db2.gz IESHIHPXXZTGIU-UHFFFAOYSA-N 0 0 437.927 3.597 50 0 biogenic,in-vitro IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCCC3)Nc1ccccc1 ZINC000012322128 527362633 /nfs/dbraw/zinc/36/26/33/527362633.db2.gz FKMRMHIUXUBZFG-UHFFFAOYSA-N 0 0 445.504 3.883 50 0 IHAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000033267536 527410488 /nfs/dbraw/zinc/41/04/88/527410488.db2.gz UGNXHTPMFQUASK-UHFFFAOYSA-N 0 0 434.393 3.788 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000016278457 527413054 /nfs/dbraw/zinc/41/30/54/527413054.db2.gz ZIKPTAFFKNDJRP-FQEVSTJZSA-N 0 0 431.423 3.809 50 0 IHAARN Cn1ccnc1[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000012540424 527464443 /nfs/dbraw/zinc/46/44/43/527464443.db2.gz NQHQGXFCJPMNND-MRXNPFEDSA-N 0 0 440.750 3.904 50 0 IHAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000035871324 527493933 /nfs/dbraw/zinc/49/39/33/527493933.db2.gz NHTMUPWSDQXLJY-FPOVZHCZSA-N 0 0 433.449 3.991 50 0 IHAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907784 527494265 /nfs/dbraw/zinc/49/42/65/527494265.db2.gz SXZFEQNHHKIKGS-UWJYYQICSA-N 0 0 433.449 3.991 50 0 IHAARN O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012829151 527511501 /nfs/dbraw/zinc/51/15/01/527511501.db2.gz JRUSIUZICURKEU-AWEZNQCLSA-N 0 0 437.562 3.591 50 0 IHAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)Nc1ccc(F)cc1 ZINC000015869266 527536531 /nfs/dbraw/zinc/53/65/31/527536531.db2.gz YMXTUMBWGKWYIU-UHFFFAOYSA-N 0 0 428.474 3.850 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000012544991 527539858 /nfs/dbraw/zinc/53/98/58/527539858.db2.gz NOOUNQYPRXLENX-UHFFFAOYSA-N 0 0 431.584 3.578 50 0 IHAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCCN1CCOCC1 ZINC000022056545 527646163 /nfs/dbraw/zinc/64/61/63/527646163.db2.gz QBZGUHLGMHOROJ-FMIVXFBMSA-N 0 0 434.515 3.530 50 0 IHAARN O=C(/C=C\c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033294957 527654308 /nfs/dbraw/zinc/65/43/08/527654308.db2.gz FVLPXUQOYNZACE-YWEYNIOJSA-N 0 0 429.314 3.535 50 0 IHAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn(-c2ccccc2)c1=O ZINC000002248385 534944387 /nfs/dbraw/zinc/94/43/87/534944387.db2.gz MVMLPBBDZUVBSA-UHFFFAOYSA-N 0 0 448.548 3.683 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(F)cc1F ZINC000009530287 535003330 /nfs/dbraw/zinc/00/33/30/535003330.db2.gz TYQCIYPKIKLECX-UHFFFAOYSA-N 0 0 425.482 3.611 50 0 IHAARN CCN1C(=O)c2ccccc2N(CC(=O)OC)[P@@]1(=O)C(=S)Nc1ccc(OC)cc1 ZINC000000642794 535439254 /nfs/dbraw/zinc/43/92/54/535439254.db2.gz JLSWSRMTWYYCFY-GDLZYMKVSA-N 0 0 447.453 3.740 50 0 IHAARN CCOc1c(Cl)cc(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1OC ZINC000009907723 535653180 /nfs/dbraw/zinc/65/31/80/535653180.db2.gz XKXYXLOZLFITLV-UHFFFAOYSA-N 0 0 434.920 3.983 50 0 IHAARN CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013629539 535963281 /nfs/dbraw/zinc/96/32/81/535963281.db2.gz YGHXWBNDVAYEMF-QFIPXVFZSA-N 0 0 442.519 3.967 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000013646350 536869405 /nfs/dbraw/zinc/86/94/05/536869405.db2.gz LUYCHCFOKHATNT-UHFFFAOYSA-N 0 0 428.554 3.853 50 0 IHAARN COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)cc1OC ZINC000011695279 536896767 /nfs/dbraw/zinc/89/67/67/536896767.db2.gz HEHDFTRMPJNWOY-UHFFFAOYSA-N 0 0 432.524 3.740 50 0 IHAARN COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000000783988 537063746 /nfs/dbraw/zinc/06/37/46/537063746.db2.gz HNOCRTTZBPUBHY-UHFFFAOYSA-N 0 0 441.959 3.550 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 ZINC000000633772 555516037 /nfs/dbraw/zinc/51/60/37/555516037.db2.gz VSAJOACPRGPKDT-UHFFFAOYSA-N 0 0 427.482 3.577 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)o2)cc1 ZINC000000633782 555516081 /nfs/dbraw/zinc/51/60/81/555516081.db2.gz RMMANASMLLCVIM-UHFFFAOYSA-N 0 0 441.509 3.965 50 0 IHAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl ZINC000000636674 555516990 /nfs/dbraw/zinc/51/69/90/555516990.db2.gz WEMDJERCOAOLQJ-UHFFFAOYSA-N 0 0 442.968 3.890 50 0 IHAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Br)c1 ZINC000000646478 555521063 /nfs/dbraw/zinc/52/10/63/555521063.db2.gz RYOWSDIUHAYQJY-KRWDZBQOSA-N 0 0 425.290 3.672 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000000665013 555527987 /nfs/dbraw/zinc/52/79/87/555527987.db2.gz PBUUFPPCLHPYIE-QMJOVRGKSA-N 0 0 444.965 3.513 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000664804 555528010 /nfs/dbraw/zinc/52/80/10/555528010.db2.gz SIWCTDIXRQWLJK-RTBURBONSA-N 0 0 438.549 3.982 50 0 IHAARN COc1cccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000670027 555530441 /nfs/dbraw/zinc/53/04/41/555530441.db2.gz FDLPSBGEKWBSIA-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(I)c1 ZINC000000678814 555536334 /nfs/dbraw/zinc/53/63/34/555536334.db2.gz FLMRBOJKHQYONO-UHFFFAOYSA-N 0 0 432.670 3.777 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000682147 555538043 /nfs/dbraw/zinc/53/80/43/555538043.db2.gz XFQMHJQHEDZQQA-UHFFFAOYSA-N 0 0 438.505 3.844 50 0 IHAARN C[C@@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F ZINC000009283282 555544370 /nfs/dbraw/zinc/54/43/70/555544370.db2.gz MECWFYHBBXZWEP-OAHLLOKOSA-N 0 0 446.434 3.806 50 0 IHAARN COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000000717132 555548782 /nfs/dbraw/zinc/54/87/82/555548782.db2.gz NSWGSDPDMCMKIV-INIZCTEOSA-N 0 0 437.492 3.978 50 0 IHAARN Cc1cccc(CN(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000780512 555554767 /nfs/dbraw/zinc/55/47/67/555554767.db2.gz UAPJPAUDKHXZTN-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN CC[C@H](C(=O)OC(C)C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791253 555557079 /nfs/dbraw/zinc/55/70/79/555557079.db2.gz RPSNHLNSNCIJCG-OAHLLOKOSA-N 0 0 443.525 3.930 50 0 IHAARN CC[C@@H](C(=O)OC(C)C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791252 555557082 /nfs/dbraw/zinc/55/70/82/555557082.db2.gz RPSNHLNSNCIJCG-HNNXBMFYSA-N 0 0 443.525 3.930 50 0 IHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000000791153 555557099 /nfs/dbraw/zinc/55/70/99/555557099.db2.gz PGDMYFGCAXDJNI-UHFFFAOYSA-N 0 0 439.415 3.601 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1Cl ZINC000000797724 555558307 /nfs/dbraw/zinc/55/83/07/555558307.db2.gz BAWSVFSJTCYBHU-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000000821426 555563824 /nfs/dbraw/zinc/56/38/24/555563824.db2.gz IXNAOYFPYVHBQD-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c(C)c1 ZINC000000829987 555566047 /nfs/dbraw/zinc/56/60/47/555566047.db2.gz RFZXCYHITRFYMH-INIZCTEOSA-N 0 0 430.298 3.845 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OC ZINC000000839592 555567606 /nfs/dbraw/zinc/56/76/06/555567606.db2.gz VDHYLJUOKQNBTB-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000000862839 555572965 /nfs/dbraw/zinc/57/29/65/555572965.db2.gz KZXJQOZJHHGTAY-SFHVURJKSA-N 0 0 431.876 3.632 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000000877131 555576519 /nfs/dbraw/zinc/57/65/19/555576519.db2.gz HTZPJXMQTSZSKP-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000884647 555578635 /nfs/dbraw/zinc/57/86/35/555578635.db2.gz LJZWKJKPIRDSJM-AEFFLSMTSA-N 0 0 432.450 3.824 50 0 IHAARN COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Br)c1O ZINC000000896481 555580306 /nfs/dbraw/zinc/58/03/06/555580306.db2.gz STQIJGUENXZKNT-INIZCTEOSA-N 0 0 439.306 3.619 50 0 IHAARN O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCCCC1)N1CCCCC1 ZINC000000969099 555591158 /nfs/dbraw/zinc/59/11/58/555591158.db2.gz PBEHOHKOBWOEDJ-UHFFFAOYSA-N 0 0 444.626 3.839 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000001011229 555602014 /nfs/dbraw/zinc/60/20/14/555602014.db2.gz RYUCKNKFMZQXEV-KBPBESRZSA-N 0 0 438.899 3.542 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2Cl)cc1 ZINC000001014091 555602514 /nfs/dbraw/zinc/60/25/14/555602514.db2.gz NTYOIIPHEWXAJG-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)Nc1cccc(F)c1 ZINC000009698770 555602994 /nfs/dbraw/zinc/60/29/94/555602994.db2.gz MFLWCTGVYYYWQC-UHFFFAOYSA-N 0 0 436.370 3.561 50 0 IHAARN Cc1c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c(=O)n(-c2ccccc2)n1C ZINC000001018824 555603096 /nfs/dbraw/zinc/60/30/96/555603096.db2.gz ROWFRCRUUVFPTQ-UHFFFAOYSA-N 0 0 435.509 3.574 50 0 IHAARN O=C(c1nn(-c2cccc(Cl)c2)c2nc(=O)c(Cc3ccccc3)nn12)c1ccccc1 ZINC000001035578 555608085 /nfs/dbraw/zinc/60/80/85/555608085.db2.gz VVVUXUYIPRZYFS-UHFFFAOYSA-N 0 0 441.878 3.750 50 0 IHAARN O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000001037011 555608413 /nfs/dbraw/zinc/60/84/13/555608413.db2.gz POZHZNDYSZPAOQ-UHFFFAOYSA-N 0 0 427.353 3.505 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000001076388 555624243 /nfs/dbraw/zinc/62/42/43/555624243.db2.gz VSZXSKKACWLDCL-KXZPLDGJSA-N 0 0 427.456 3.936 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000001076386 555624278 /nfs/dbraw/zinc/62/42/78/555624278.db2.gz VSZXSKKACWLDCL-MDRWGITRSA-N 0 0 427.456 3.936 50 0 IHAARN O=C1N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000001096631 555628114 /nfs/dbraw/zinc/62/81/14/555628114.db2.gz PNTDTKMOCWCINB-HOTGVXAUSA-N 0 0 430.835 3.971 50 0 IHAARN COC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(C(=O)OC)c1C ZINC000001113027 555633026 /nfs/dbraw/zinc/63/30/26/555633026.db2.gz QEGKEFIWLNLHHG-LLVKDONJSA-N 0 0 425.890 3.998 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 ZINC000001114779 555633775 /nfs/dbraw/zinc/63/37/75/555633775.db2.gz GJWLBUQJIONCPB-HXUWFJFHSA-N 0 0 435.505 3.819 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001116676 555634600 /nfs/dbraw/zinc/63/46/00/555634600.db2.gz SNLQOPVMQPZDDR-UHFFFAOYSA-N 0 0 441.347 3.561 50 0 IHAARN COc1cc(NC(=S)NC(=O)COc2cccc(C)c2C)ccc1NC(=O)C(C)C ZINC000001117368 555635100 /nfs/dbraw/zinc/63/51/00/555635100.db2.gz JCFYXAOXHIQHGW-UHFFFAOYSA-N 0 0 429.542 3.799 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000001125993 555640720 /nfs/dbraw/zinc/64/07/20/555640720.db2.gz IFCMSUBYAGPCQH-JXMROGBWSA-N 0 0 441.509 3.815 50 0 IHAARN CCOC(=O)[C@H](C)Oc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000001126911 555641663 /nfs/dbraw/zinc/64/16/63/555641663.db2.gz PBDIOUHECIALBJ-HRAATJIYSA-N 0 0 437.496 3.592 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000001135202 555646511 /nfs/dbraw/zinc/64/65/11/555646511.db2.gz DRCVFZZBKSCSGP-UHFFFAOYSA-N 0 0 426.469 3.862 50 0 IHAARN CCCN1C(=O)c2ccc(C(=O)Nc3ccccc3I)cc2C1=O ZINC000001136521 555647156 /nfs/dbraw/zinc/64/71/56/555647156.db2.gz UPFUMOMKZHJFSK-UHFFFAOYSA-N 0 0 434.233 3.550 50 0 IHAARN O=C(C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000001138221 555648193 /nfs/dbraw/zinc/64/81/93/555648193.db2.gz WKCAISIXWAIGKJ-AREMUKBSSA-N 0 0 429.472 3.508 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2OC)cc1 ZINC000001150219 555656183 /nfs/dbraw/zinc/65/61/83/555656183.db2.gz SGQVVBDIVYZINS-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001154419 555658180 /nfs/dbraw/zinc/65/81/80/555658180.db2.gz SURFZYMQPMFCRN-UHFFFAOYSA-N 0 0 432.517 3.990 50 0 IHAARN COC(=O)Cc1c(C)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)c(C)c2oc1=O ZINC000001156115 555658584 /nfs/dbraw/zinc/65/85/84/555658584.db2.gz ICKBMHJVMQHFRB-UHFFFAOYSA-N 0 0 442.464 3.730 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000001156393 555658960 /nfs/dbraw/zinc/65/89/60/555658960.db2.gz FKFSKISLPWFMOJ-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001157412 555659885 /nfs/dbraw/zinc/65/98/85/555659885.db2.gz VKRHCYROFVQHSM-QHCPKHFHSA-N 0 0 446.528 3.579 50 0 aggregator IHAARN COc1cccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001169127 555665680 /nfs/dbraw/zinc/66/56/80/555665680.db2.gz VYVYLKQQDQIORP-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000001171329 555666692 /nfs/dbraw/zinc/66/66/92/555666692.db2.gz FEIRMYBHAUZCIB-UHFFFAOYSA-N 0 0 430.570 3.848 50 0 IHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)OC)cc1Br ZINC000001171477 555666950 /nfs/dbraw/zinc/66/69/50/555666950.db2.gz KAINLQWUDVSNLS-UHFFFAOYSA-N 0 0 437.315 3.761 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000001191882 555675821 /nfs/dbraw/zinc/67/58/21/555675821.db2.gz ULOXEONHUKPZND-SFHVURJKSA-N 0 0 447.944 3.797 50 0 IHAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3 ZINC000001198706 555677967 /nfs/dbraw/zinc/67/79/67/555677967.db2.gz SZBWDWOXIHPCJX-UHFFFAOYSA-N 0 0 432.571 3.755 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001202646 555679060 /nfs/dbraw/zinc/67/90/60/555679060.db2.gz WPTHSSQZPKKFLL-OAQYLSRUSA-N 0 0 438.505 3.664 50 0 IHAARN CC(C)c1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000001219818 555685338 /nfs/dbraw/zinc/68/53/38/555685338.db2.gz IIKCVHRDQCVDOX-UHFFFAOYSA-N 0 0 425.348 3.977 50 0 IHAARN O=C1c2cccc(Cl)c2C(=O)N1c1cccc(N2C(=O)c3cccc(Cl)c3C2=O)n1 ZINC000001225263 555685964 /nfs/dbraw/zinc/68/59/64/555685964.db2.gz WEMKDPCCBQQODX-UHFFFAOYSA-N 0 0 438.226 3.990 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000001245381 555687457 /nfs/dbraw/zinc/68/74/57/555687457.db2.gz USDSTFUAZQDQDO-ODLFYWEKSA-N 0 0 426.494 3.996 50 0 IHAARN CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000001289731 555688998 /nfs/dbraw/zinc/68/89/98/555688998.db2.gz PXKSZHVBELLBQP-HNNXBMFYSA-N 0 0 430.888 3.582 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001773770 555714008 /nfs/dbraw/zinc/71/40/08/555714008.db2.gz FMMULICEBVUPKK-HNNXBMFYSA-N 0 0 431.510 3.844 50 0 IHAARN COc1ccc(Cl)cc1C(=O)NCCCCNC(=O)c1cc(Cl)ccc1OC ZINC000002086085 555740010 /nfs/dbraw/zinc/74/00/10/555740010.db2.gz YDYHPCKUEJYTHX-UHFFFAOYSA-N 0 0 425.312 3.951 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)cc1Cl ZINC000071890432 555744716 /nfs/dbraw/zinc/74/47/16/555744716.db2.gz IJHJBGSFJVVFCD-QGZVFWFLSA-N 0 0 434.993 3.925 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000002196780 555757172 /nfs/dbraw/zinc/75/71/72/555757172.db2.gz ZVWRCCRQDPJKTK-UHFFFAOYSA-N 0 0 443.521 3.854 50 0 IHAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1OC ZINC000002235186 555760562 /nfs/dbraw/zinc/76/05/62/555760562.db2.gz MVLFNOQKGLMAHM-KRWDZBQOSA-N 0 0 435.461 3.720 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002403956 555776173 /nfs/dbraw/zinc/77/61/73/555776173.db2.gz FRXPGTINIQJCAB-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000002438097 555779076 /nfs/dbraw/zinc/77/90/76/555779076.db2.gz BPUGUXOTHQCXCM-UHFFFAOYSA-N 0 0 434.525 3.778 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000002648321 555791047 /nfs/dbraw/zinc/79/10/47/555791047.db2.gz RJYRBAZTHJIKIY-HNNXBMFYSA-N 0 0 445.313 3.601 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000002648322 555791077 /nfs/dbraw/zinc/79/10/77/555791077.db2.gz RJYRBAZTHJIKIY-OAHLLOKOSA-N 0 0 445.313 3.601 50 0 IHAARN COc1cccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)c1 ZINC000034667811 555792007 /nfs/dbraw/zinc/79/20/07/555792007.db2.gz XDPTZFGVMBNLSM-UHFFFAOYSA-N 0 0 431.496 3.697 50 0 IHAARN COc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCc3ccccn3)cc2)cc1 ZINC000034675890 555794000 /nfs/dbraw/zinc/79/40/00/555794000.db2.gz SIOSNCDXGVHDPI-UHFFFAOYSA-N 0 0 443.547 3.935 50 0 IHAARN CC1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)COc2ccccc2)CC3)CC1 ZINC000034679202 555798832 /nfs/dbraw/zinc/79/88/32/555798832.db2.gz YLGUOPICXGAFMT-UHFFFAOYSA-N 0 0 449.599 3.667 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 ZINC000002699681 555800510 /nfs/dbraw/zinc/80/05/10/555800510.db2.gz RFJQUXVEMDLAAQ-XWCAUFEOSA-N 0 0 431.517 3.971 50 0 IHAARN O=c1c2c(ncn2Cc2cccc(F)c2)n(-c2ccccc2)c(=O)n1CCc1ccccc1 ZINC000034693431 555806845 /nfs/dbraw/zinc/80/68/45/555806845.db2.gz JXBKJLAEKDPNSF-UHFFFAOYSA-N 0 0 440.478 3.779 50 0 IHAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)nc1)c1cccc(F)c1 ZINC000034680799 555813794 /nfs/dbraw/zinc/81/37/94/555813794.db2.gz RVXCZRRNALNLDO-UHFFFAOYSA-N 0 0 436.462 3.965 50 0 IHAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681061 555813991 /nfs/dbraw/zinc/81/39/91/555813991.db2.gz BXPWMLIDFXAWIP-UHFFFAOYSA-N 0 0 426.423 3.558 50 0 IHAARN O=C(Nc1ccccc1)N1CCO[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685875 555820897 /nfs/dbraw/zinc/82/08/97/555820897.db2.gz UQXNQJVWRKYRFH-OAQYLSRUSA-N 0 0 448.489 3.760 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000002836341 555832981 /nfs/dbraw/zinc/83/29/81/555832981.db2.gz QTNPJHLLVZFNPX-UHFFFAOYSA-N 0 0 442.522 3.616 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000002839710 555834611 /nfs/dbraw/zinc/83/46/11/555834611.db2.gz MCRYSWCMCYRSEL-UHFFFAOYSA-N 0 0 438.505 3.530 50 0 IHAARN COC(=O)C(C)(C)[C@@H]1c2c(ccc3ccccc32)OC(=O)[C@H]1C(=O)NCc1ccccc1 ZINC000002841584 555835793 /nfs/dbraw/zinc/83/57/93/555835793.db2.gz YNDZCVDCPKJDSR-FGZHOGPDSA-N 0 0 431.488 3.974 50 0 IHAARN CCc1c(C)sc(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C(=O)OC ZINC000002853033 555840397 /nfs/dbraw/zinc/84/03/97/555840397.db2.gz MSYCKCXYXKNBOY-UHFFFAOYSA-N 0 0 447.582 3.687 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000002858871 555843274 /nfs/dbraw/zinc/84/32/74/555843274.db2.gz FJLGWSLQOLJLJA-UHFFFAOYSA-N 0 0 448.372 3.836 50 0 aggregator IHAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NCc4ccc5c(c4)OCO5)c32)C1 ZINC000002862198 555845393 /nfs/dbraw/zinc/84/53/93/555845393.db2.gz FIKSALYFDSJOMW-GFCCVEGCSA-N 0 0 427.551 3.953 50 0 IHAARN O=C(CSc1ncc(-c2ccccc2)nn1)Nc1nnc(COc2ccccc2)s1 ZINC000002864488 555846462 /nfs/dbraw/zinc/84/64/62/555846462.db2.gz JDNYSICCRGZVAL-UHFFFAOYSA-N 0 0 436.522 3.700 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C ZINC000002865545 555847093 /nfs/dbraw/zinc/84/70/93/555847093.db2.gz MMMYRBUQCJGRIE-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COc1cc(C=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000002869090 555849069 /nfs/dbraw/zinc/84/90/69/555849069.db2.gz ZZUZRIPHDJHKHS-UHFFFAOYSA-N 0 0 439.249 3.747 50 0 IHAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000002880209 555854508 /nfs/dbraw/zinc/85/45/08/555854508.db2.gz GPAFJPSWKMSUDC-CQSZACIVSA-N 0 0 438.933 3.537 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(OCc2ccccc2)cc1 ZINC000002885156 555857795 /nfs/dbraw/zinc/85/77/95/555857795.db2.gz CQXXRPVVCKATOY-UHFFFAOYSA-N 0 0 446.475 3.949 50 0 IHAARN CCCCOc1ccc(C(=O)OCC(C)(C)NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000002997575 555876339 /nfs/dbraw/zinc/87/63/39/555876339.db2.gz JUMQIULJBGSOOG-UHFFFAOYSA-N 0 0 430.526 3.540 50 0 IHAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002998237 555876987 /nfs/dbraw/zinc/87/69/87/555876987.db2.gz YIPRJPXUTGUOCL-UHFFFAOYSA-N 0 0 430.423 3.884 50 0 IHAARN COC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003012393 555879324 /nfs/dbraw/zinc/87/93/24/555879324.db2.gz CKLTVXYXDNAAIT-MRVPVSSYSA-N 0 0 435.558 3.788 50 0 IHAARN COC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003012391 555879374 /nfs/dbraw/zinc/87/93/74/555879374.db2.gz CKLTVXYXDNAAIT-QMMMGPOBSA-N 0 0 435.558 3.788 50 0 IHAARN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000071892599 555886617 /nfs/dbraw/zinc/88/66/17/555886617.db2.gz MNGJYGZNVFQZOG-XMMPIXPASA-N 0 0 439.519 3.701 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000003190294 555895628 /nfs/dbraw/zinc/89/56/28/555895628.db2.gz RDCPOBPBJLVOAN-FQEVSTJZSA-N 0 0 425.529 3.617 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000003190296 555895637 /nfs/dbraw/zinc/89/56/37/555895637.db2.gz RDCPOBPBJLVOAN-HXUWFJFHSA-N 0 0 425.529 3.617 50 0 IHAARN O=C(NCCc1ccccc1)c1cc2n(n1)CCN(Cc1ccccc1C(F)(F)F)C2=O ZINC000034811618 555909404 /nfs/dbraw/zinc/90/94/04/555909404.db2.gz YJIMHSYNZFIEHE-UHFFFAOYSA-N 0 0 442.441 3.530 50 0 IHAARN COc1c(C)cc(-c2ccc3nc(C(=O)N4CCN(c5ccccn5)CC4)cn3c2)cc1C ZINC000034831179 555912275 /nfs/dbraw/zinc/91/22/75/555912275.db2.gz NUXBBPDSNSAVTR-UHFFFAOYSA-N 0 0 441.535 3.984 50 0 IHAARN CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC4(CC3)OCCO4)n2n1 ZINC000034833348 555912945 /nfs/dbraw/zinc/91/29/45/555912945.db2.gz GXIGUCLJGIJYIP-UHFFFAOYSA-N 0 0 438.503 3.812 50 0 IHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3F)COC23CCC(C)CC3)c1 ZINC000034921153 555931462 /nfs/dbraw/zinc/93/14/62/555931462.db2.gz FRRISGASCSQIBX-ONWYWGCKSA-N 0 0 440.515 3.898 50 0 IHAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(-n3[nH]c(=O)c(C)c3C)n2)cc1 ZINC000004082720 555959236 /nfs/dbraw/zinc/95/92/36/555959236.db2.gz CHBYZRJINZCOBD-UHFFFAOYSA-N 0 0 433.472 3.884 50 0 IHAARN O=C1N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000004199431 555975665 /nfs/dbraw/zinc/97/56/65/555975665.db2.gz PNTDTKMOCWCINB-CVEARBPZSA-N 0 0 430.835 3.971 50 0 IHAARN CN1CCc2c(sc3nc(NC(=O)c4ccc(OC(F)(F)F)cc4)sc(=O)c32)C1 ZINC000004481177 555996893 /nfs/dbraw/zinc/99/68/93/555996893.db2.gz NHOPSWBYHHOYIF-UHFFFAOYSA-N 0 0 441.456 3.857 50 0 IHAARN CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1 ZINC000004528775 555999594 /nfs/dbraw/zinc/99/95/94/555999594.db2.gz WQBPSJIAFZCNBR-UHFFFAOYSA-N 0 0 426.594 3.838 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000004670423 556005672 /nfs/dbraw/zinc/00/56/72/556005672.db2.gz SZBIMARYEXFDCY-TVHGACNRSA-N 0 0 427.541 3.778 50 0 IHAARN COc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 ZINC000004733126 556008837 /nfs/dbraw/zinc/00/88/37/556008837.db2.gz NWNVNPDMHWCRBP-GOTSBHOMSA-N 0 0 447.491 3.657 50 0 IHAARN O=C(NCCOc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005345194 556046702 /nfs/dbraw/zinc/04/67/02/556046702.db2.gz BQXGCPOIYQWJFO-UHFFFAOYSA-N 0 0 430.913 3.950 50 0 IHAARN CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005443073 556054297 /nfs/dbraw/zinc/05/42/97/556054297.db2.gz QWKCNUFXNHPOQF-KNQAVFIVSA-N 0 0 429.582 3.849 50 0 IHAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCN(C)CC2)o1 ZINC000006173974 556079219 /nfs/dbraw/zinc/07/92/19/556079219.db2.gz CFJUJTIFUAFTLW-UHFFFAOYSA-N 0 0 431.945 3.888 50 0 IHAARN CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O ZINC000006173555 556079250 /nfs/dbraw/zinc/07/92/50/556079250.db2.gz YJLCNFNUZLPIKF-XNTDXEJSSA-N 0 0 435.299 3.839 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000006237899 556081691 /nfs/dbraw/zinc/08/16/91/556081691.db2.gz WYNWXUJOSDIHGE-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006286886 556083976 /nfs/dbraw/zinc/08/39/76/556083976.db2.gz LQNPWLVTDAGCTJ-UHFFFAOYSA-N 0 0 439.562 3.731 50 0 IHAARN C[C@@H](OC(=O)c1c[nH]c2ccccc21)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018594870 556107472 /nfs/dbraw/zinc/10/74/72/556107472.db2.gz GZMZVHKPDWAOEE-LLVKDONJSA-N 0 0 431.370 3.717 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 ZINC000002694872 556121110 /nfs/dbraw/zinc/12/11/10/556121110.db2.gz JGSYOEZJORRBKF-UHFFFAOYSA-N 0 0 449.554 3.596 50 0 IHAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OC(F)F ZINC000002700341 556121434 /nfs/dbraw/zinc/12/14/34/556121434.db2.gz FBZLDIUJHGUBPH-SFHVURJKSA-N 0 0 427.411 3.816 50 0 IHAARN Cc1ccsc1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000002708967 556124455 /nfs/dbraw/zinc/12/44/55/556124455.db2.gz FCBUCTYPTWVZRX-BXBHGGAKSA-N 0 0 444.603 3.618 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(C)c(Cl)c1)c2=O ZINC000002712307 556125711 /nfs/dbraw/zinc/12/57/11/556125711.db2.gz CNQAGJXZWOFLKP-OAHLLOKOSA-N 0 0 442.899 3.932 50 0 IHAARN Cc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2)s1 ZINC000002720619 556127117 /nfs/dbraw/zinc/12/71/17/556127117.db2.gz PKRUIIXQICGEBV-UHFFFAOYSA-N 0 0 448.533 3.758 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCCNC(=S)Nc1ccn(Cc2ccccc2F)n1 ZINC000002728130 556133640 /nfs/dbraw/zinc/13/36/40/556133640.db2.gz QTQWPLWIMXULLS-UHFFFAOYSA-N 0 0 440.470 3.971 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)C(=O)N2CC(C)C)c1 ZINC000002785091 556138351 /nfs/dbraw/zinc/13/83/51/556138351.db2.gz BKYANUDCKGXBPS-DJKKODMXSA-N 0 0 425.558 3.604 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Br)s1 ZINC000002804149 556143098 /nfs/dbraw/zinc/14/30/98/556143098.db2.gz IVBFDCLNMNSIJL-UHFFFAOYSA-N 0 0 426.361 3.792 50 0 IHAARN Cc1cccc(C)c1O[C@H](C)C(=O)NC[C@@H](C)NC(=O)[C@@H](C)Oc1c(C)cccc1C ZINC000008163785 556151504 /nfs/dbraw/zinc/15/15/04/556151504.db2.gz GZYXHVUWYJISGZ-NJDAHSKKSA-N 0 0 426.557 3.776 50 0 IHAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000008396387 556163577 /nfs/dbraw/zinc/16/35/77/556163577.db2.gz SPEZJZNDUGDVFQ-RSYJBZMQSA-N 0 0 429.479 3.905 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000008396956 556163864 /nfs/dbraw/zinc/16/38/64/556163864.db2.gz OXNGQUFZANUFTQ-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000008398197 556164790 /nfs/dbraw/zinc/16/47/90/556164790.db2.gz MKXGCRKBHUHYGT-UHFFFAOYSA-N 0 0 426.469 3.788 50 0 IHAARN CCOC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433049 556172393 /nfs/dbraw/zinc/17/23/93/556172393.db2.gz ZSZKOKPABFKBKF-ABSDTBQOSA-N 0 0 438.402 3.605 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(C)C ZINC000008440950 556176775 /nfs/dbraw/zinc/17/67/75/556176775.db2.gz KBVXSXCPHXDCBZ-HTAPYJJXSA-N 0 0 439.556 3.864 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008449731 556180984 /nfs/dbraw/zinc/18/09/84/556180984.db2.gz VIFFUYWQLKQEFA-XFDIAKHOSA-N 0 0 429.472 3.655 50 0 IHAARN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000008449910 556181062 /nfs/dbraw/zinc/18/10/62/556181062.db2.gz LWLFJFSXWLTJNX-RWFYYTQISA-N 0 0 435.863 3.691 50 0 IHAARN CCOC(=O)C1C(c2ccc(OC)cc2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000008453710 556184795 /nfs/dbraw/zinc/18/47/95/556184795.db2.gz GRNWJEIPVIQCKC-SFHVURJKSA-N 0 0 431.286 3.786 50 0 IHAARN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 ZINC000008591871 556189327 /nfs/dbraw/zinc/18/93/27/556189327.db2.gz ZBBSIZWOMQZSIB-HXUWFJFHSA-N 0 0 436.418 3.726 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000008664582 556197633 /nfs/dbraw/zinc/19/76/33/556197633.db2.gz LSWPNGDWFOUYEI-UHFFFAOYSA-N 0 0 443.472 3.706 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000008690737 556200531 /nfs/dbraw/zinc/20/05/31/556200531.db2.gz PVBRULDDFBPVHE-MNWMYKRDSA-N 0 0 435.505 3.784 50 0 IHAARN CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000008784370 556215328 /nfs/dbraw/zinc/21/53/28/556215328.db2.gz VNVJYSAWHHDJHD-LSDHHAIUSA-N 0 0 448.552 3.879 50 0 IHAARN CCCCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816090 556217449 /nfs/dbraw/zinc/21/74/49/556217449.db2.gz BEQOAYKRTWCJOF-GOSISDBHSA-N 0 0 449.617 3.665 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009045942 556242809 /nfs/dbraw/zinc/24/28/09/556242809.db2.gz 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O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(I)cc1 ZINC000009288355 556272739 /nfs/dbraw/zinc/27/27/39/556272739.db2.gz PSHXTRRSUGTGEV-UHFFFAOYSA-N 0 0 427.223 3.665 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)c1 ZINC000009305594 556276584 /nfs/dbraw/zinc/27/65/84/556276584.db2.gz UDYKJKNWXWGNRK-UHFFFAOYSA-N 0 0 445.548 3.938 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccc(C)cc1 ZINC000009307390 556277209 /nfs/dbraw/zinc/27/72/09/556277209.db2.gz PWIZTVVYYHVUMO-UHFFFAOYSA-N 0 0 439.541 3.971 50 0 IHAARN COc1ccc2c(cc(C(=O)NCCCC(=O)Nc3ccc(OC)c(Cl)c3)n2C)c1 ZINC000013692288 556281962 /nfs/dbraw/zinc/28/19/62/556281962.db2.gz QUHGUNUOJGNHKU-UHFFFAOYSA-N 0 0 429.904 3.998 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(NC(C)=O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000009341117 556283408 /nfs/dbraw/zinc/28/34/08/556283408.db2.gz KLIMSIJWWXVTSR-AREMUKBSSA-N 0 0 428.488 3.846 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000009348867 556283974 /nfs/dbraw/zinc/28/39/74/556283974.db2.gz MGEBWTKKCVQFLO-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000009371530 556286163 /nfs/dbraw/zinc/28/61/63/556286163.db2.gz ICSNGXRQDZCWLO-UHFFFAOYSA-N 0 0 434.286 3.993 50 0 IHAARN CCOc1ccccc1OCc1nn2c(nnc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000009432007 556291175 /nfs/dbraw/zinc/29/11/75/556291175.db2.gz ZOAFCYJWWUHTGL-UHFFFAOYSA-N 0 0 442.497 3.856 50 0 IHAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 ZINC000009444270 556292170 /nfs/dbraw/zinc/29/21/70/556292170.db2.gz CGAQYZLBULBDOA-JOCHJYFZSA-N 0 0 439.479 3.575 50 0 IHAARN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000013726771 556293288 /nfs/dbraw/zinc/29/32/88/556293288.db2.gz DFNGYJFFBFOERS-NOZRDPDXSA-N 0 0 430.548 3.809 50 0 IHAARN COC(=O)[C@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013727087 556293544 /nfs/dbraw/zinc/29/35/44/556293544.db2.gz UHPSUEWIPLWRLL-MRXNPFEDSA-N 0 0 430.840 3.993 50 0 IHAARN COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(C)cc23)cc(C(=O)OC)c1 ZINC000009481878 556293725 /nfs/dbraw/zinc/29/37/25/556293725.db2.gz SBCZUXCPOXMKHV-UHFFFAOYSA-N 0 0 425.510 3.579 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000009525865 556296443 /nfs/dbraw/zinc/29/64/43/556296443.db2.gz AEGUCJPXYFENFN-GFCCVEGCSA-N 0 0 437.279 3.537 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000009541028 556297401 /nfs/dbraw/zinc/29/74/01/556297401.db2.gz JFJAVTHJVCKYLQ-MRXNPFEDSA-N 0 0 429.590 3.717 50 0 IHAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccncc1 ZINC000013736328 556297842 /nfs/dbraw/zinc/29/78/42/556297842.db2.gz UOKABJFTDHDBKR-UHFFFAOYSA-N 0 0 441.553 3.930 50 0 IHAARN CCCCc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)[nH]1 ZINC000009554146 556298033 /nfs/dbraw/zinc/29/80/33/556298033.db2.gz ZTHJULMSVGNKAR-UHFFFAOYSA-N 0 0 449.172 3.798 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(Br)c(OC)c1OC ZINC000009559794 556298255 /nfs/dbraw/zinc/29/82/55/556298255.db2.gz CJIDGDANHKPZDU-VIFPVBQESA-N 0 0 436.258 3.678 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013757801 556301122 /nfs/dbraw/zinc/30/11/22/556301122.db2.gz QODSFRKLSWYKOD-VXNXHJTFSA-N 0 0 444.487 3.751 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000009661539 556304588 /nfs/dbraw/zinc/30/45/88/556304588.db2.gz UGFWUQKBFNOXBP-UHFFFAOYSA-N 0 0 432.480 3.818 50 0 IHAARN CCc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009667481 556304905 /nfs/dbraw/zinc/30/49/05/556304905.db2.gz GZVIVYGOBRCIFM-OAQYLSRUSA-N 0 0 433.552 3.788 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000009720609 556307585 /nfs/dbraw/zinc/30/75/85/556307585.db2.gz YJGZCZWTDVUDBD-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1 ZINC000009830275 556310353 /nfs/dbraw/zinc/31/03/53/556310353.db2.gz LJHLEIUCSGTUBK-UHFFFAOYSA-N 0 0 434.492 3.989 50 0 IHAARN O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000013807099 556311563 /nfs/dbraw/zinc/31/15/63/556311563.db2.gz DKWSYHLLRYQTAA-AIFLQVKLSA-N 0 0 443.890 3.638 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(Cn4cncn4)cc3)c12 ZINC000032752692 556313345 /nfs/dbraw/zinc/31/33/45/556313345.db2.gz KURZHEXBVHOAOT-UHFFFAOYSA-N 0 0 443.536 3.575 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000032753083 556314165 /nfs/dbraw/zinc/31/41/65/556314165.db2.gz UVHWQBMOWTUTJG-PXNSSMCTSA-N 0 0 442.512 3.649 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2ncn(Cc2noc(-c4ccc(Cl)cc4)n2)c3=O)c1 ZINC000032753051 556314215 /nfs/dbraw/zinc/31/42/15/556314215.db2.gz ILDKSRBRHHMFLQ-UHFFFAOYSA-N 0 0 432.871 3.951 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000009892540 556315691 /nfs/dbraw/zinc/31/56/91/556315691.db2.gz INPBLBMFLZEDDY-UHFFFAOYSA-N 0 0 428.913 3.699 50 0 IHAARN O=C(N[C@H](C(=O)NC1=NCCS1)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000009909550 556316608 /nfs/dbraw/zinc/31/66/08/556316608.db2.gz ROKYQAIEUGWJDW-IYZRDUGGSA-N 0 0 431.989 3.874 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCOC)cc1 ZINC000009934041 556317575 /nfs/dbraw/zinc/31/75/75/556317575.db2.gz SJZGBNGXUYVZAY-OAQYLSRUSA-N 0 0 439.512 3.596 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)c1 ZINC000009934239 556317778 /nfs/dbraw/zinc/31/77/78/556317778.db2.gz PDQXMWXAWPBJDA-HXUWFJFHSA-N 0 0 437.496 3.746 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)c1 ZINC000009934218 556317903 /nfs/dbraw/zinc/31/79/03/556317903.db2.gz HZRBQOKAJCBNLF-FQEVSTJZSA-N 0 0 437.496 3.685 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000013844999 556318840 /nfs/dbraw/zinc/31/88/40/556318840.db2.gz AHBXKCTWGDFLTO-UHFFFAOYSA-N 0 0 438.549 3.788 50 0 IHAARN COc1ccc(-c2noc(CNc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 ZINC000032759359 556319208 /nfs/dbraw/zinc/31/92/08/556319208.db2.gz QKYZRYYNHXOEAS-UHFFFAOYSA-N 0 0 442.541 3.840 50 0 IHAARN NC(=O)Cn1c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc2c1=O ZINC000032753233 556322157 /nfs/dbraw/zinc/32/21/57/556322157.db2.gz NJAWDIZMMMIDKS-UHFFFAOYSA-N 0 0 444.335 3.532 50 0 IHAARN CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754877 556324081 /nfs/dbraw/zinc/32/40/81/556324081.db2.gz VBMZEBTUOGIQBB-LJQANCHMSA-N 0 0 438.509 3.737 50 0 IHAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(OC)c1 ZINC000032764403 556331476 /nfs/dbraw/zinc/33/14/76/556331476.db2.gz HHESPPYIPBFCLO-CQSZACIVSA-N 0 0 441.509 3.911 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000032765638 556332931 /nfs/dbraw/zinc/33/29/31/556332931.db2.gz YTSXTZYJTXTNCI-FOIQADDNSA-N 0 0 438.553 3.535 50 0 IHAARN COCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC000032769467 556334153 /nfs/dbraw/zinc/33/41/53/556334153.db2.gz AKGIVSNGZQUGRA-UHFFFAOYSA-N 0 0 443.301 3.780 50 0 IHAARN NC(=O)CCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000032774582 556336684 /nfs/dbraw/zinc/33/66/84/556336684.db2.gz HGXFEDCCBASVRZ-JOCHJYFZSA-N 0 0 443.569 3.805 50 0 IHAARN O=C(CCN1C(=O)COc2ccccc21)OCc1csc(COc2ccc(F)cc2)n1 ZINC000032776283 556337338 /nfs/dbraw/zinc/33/73/38/556337338.db2.gz ZMYSVSGVJQNXSL-UHFFFAOYSA-N 0 0 442.468 3.720 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000013944365 556341737 /nfs/dbraw/zinc/34/17/37/556341737.db2.gz BANKKVOJSNWYCM-GFCCVEGCSA-N 0 0 428.901 3.973 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000013949220 556344151 /nfs/dbraw/zinc/34/41/51/556344151.db2.gz IAXIVAWACQTDAH-IRXDYDNUSA-N 0 0 436.599 3.771 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4ncc[nH]4)s3)C2)cc1OC ZINC000011663272 556344280 /nfs/dbraw/zinc/34/42/80/556344280.db2.gz HNIQHBCZZPJAHA-OAHLLOKOSA-N 0 0 425.510 3.891 50 0 IHAARN CSc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011668146 556346541 /nfs/dbraw/zinc/34/65/41/556346541.db2.gz CPZOKFNFMMUKEI-SFHVURJKSA-N 0 0 426.586 3.532 50 0 IHAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)C(=O)c3ccccc3)cc2)n1 ZINC000011770886 556350219 /nfs/dbraw/zinc/35/02/19/556350219.db2.gz KCLYVNMBSWVSTN-QFIPXVFZSA-N 0 0 430.508 3.692 50 0 IHAARN COc1ccc(CN(C)C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000011783191 556351330 /nfs/dbraw/zinc/35/13/30/556351330.db2.gz VYTXYONIALYSFW-XMMPIXPASA-N 0 0 444.959 3.987 50 0 IHAARN Cc1ccccc1C[C@H](C1CCN(C(=O)CCC(C)C)CC1)N(C)C(=O)Cn1cccn1 ZINC000011783085 556351361 /nfs/dbraw/zinc/35/13/61/556351361.db2.gz DALHTDJZXOQYNV-XMMPIXPASA-N 0 0 438.616 3.936 50 0 IHAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)N[C@H](CCn1ccnc1)c1ccccc1 ZINC000011790008 556355279 /nfs/dbraw/zinc/35/52/79/556355279.db2.gz RGTPPVHBFNUVHJ-QPPBQGQZSA-N 0 0 436.581 3.864 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 ZINC000014018081 556355996 /nfs/dbraw/zinc/35/59/96/556355996.db2.gz JTOXVVPJEBLRKF-OWJWWREXSA-N 0 0 433.533 3.862 50 0 IHAARN O=C(CCC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1)NCc1ccc(F)cc1 ZINC000011819774 556361578 /nfs/dbraw/zinc/36/15/78/556361578.db2.gz VFNIBMHSYQQJJA-UHFFFAOYSA-N 0 0 434.515 3.960 50 0 IHAARN O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC(OCc2ccccn2)CC1 ZINC000011821548 556362850 /nfs/dbraw/zinc/36/28/50/556362850.db2.gz QMJGOMFFXGHNML-UHFFFAOYSA-N 0 0 427.508 3.696 50 0 IHAARN O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000014085160 556364231 /nfs/dbraw/zinc/36/42/31/556364231.db2.gz IBVICRSVRPSYIS-MRXNPFEDSA-N 0 0 448.894 3.538 50 0 IHAARN CCCO[C@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 ZINC000011873337 556369771 /nfs/dbraw/zinc/36/97/71/556369771.db2.gz SHANZFLLEKFVIJ-NRFANRHFSA-N 0 0 444.572 3.506 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(F)cc2)cc1 ZINC000014112757 556370141 /nfs/dbraw/zinc/37/01/41/556370141.db2.gz UUGISWJVDVKBOH-UHFFFAOYSA-N 0 0 446.544 3.622 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000011881446 556373191 /nfs/dbraw/zinc/37/31/91/556373191.db2.gz ZNOLUZBJTOBYBI-CRWWQRIJSA-N 0 0 448.563 3.705 50 0 IHAARN COc1cccc(C[C@]2(CCC(=O)N3CCC[C@H](C(=O)c4ccccc4)C3)CCC(=O)N2)c1 ZINC000011882445 556373664 /nfs/dbraw/zinc/37/36/64/556373664.db2.gz FUAZVCVCKMGZRE-WXVAWEFUSA-N 0 0 448.563 3.788 50 0 IHAARN CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032573781 556373877 /nfs/dbraw/zinc/37/38/77/556373877.db2.gz CCRXNWHXPQYDDA-OAQYLSRUSA-N 0 0 447.539 3.989 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000011935618 556378293 /nfs/dbraw/zinc/37/82/93/556378293.db2.gz DQUNDIGQXZXPBR-VWLOTQADSA-N 0 0 441.547 3.775 50 0 IHAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 ZINC000014167104 556380038 /nfs/dbraw/zinc/38/00/38/556380038.db2.gz AIFCLJHNHTWDOG-HJPURHCSSA-N 0 0 428.554 3.569 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)cc1OC ZINC000011955323 556380657 /nfs/dbraw/zinc/38/06/57/556380657.db2.gz ZVVDALWAIYGVST-KRWDZBQOSA-N 0 0 449.479 3.524 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cnc(SC)nc3)C2)c(OC)c1 ZINC000011953725 556380690 /nfs/dbraw/zinc/38/06/90/556380690.db2.gz RXQWBGXFBPINKC-QGZVFWFLSA-N 0 0 444.601 3.524 50 0 IHAARN COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)/C=C/c2cccc(F)c2F)C3)nn1 ZINC000011970557 556382524 /nfs/dbraw/zinc/38/25/24/556382524.db2.gz PQUVRSJJHWSGNM-DBWMJRBXSA-N 0 0 437.446 3.872 50 0 IHAARN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000011972186 556382565 /nfs/dbraw/zinc/38/25/65/556382565.db2.gz IJBFRTWXKXFMRM-FQEVSTJZSA-N 0 0 426.944 3.950 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000014184484 556384491 /nfs/dbraw/zinc/38/44/91/556384491.db2.gz NRTAGYSCKWKKGT-UHFFFAOYSA-N 0 0 432.835 3.599 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000014185649 556385421 /nfs/dbraw/zinc/38/54/21/556385421.db2.gz RZPHHUUVYMXPRK-LJQANCHMSA-N 0 0 427.303 3.944 50 0 IHAARN O=C(CSc1ccncc1)N1CCC2(C[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000012025250 556387354 /nfs/dbraw/zinc/38/73/54/556387354.db2.gz FPFVNTWIAOXGSX-OAQYLSRUSA-N 0 0 447.564 3.627 50 0 IHAARN O=C(CN[C@H](c1cccs1)c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000014197845 556389039 /nfs/dbraw/zinc/38/90/39/556389039.db2.gz BABRYUNQKRUTIO-OFNKIYASSA-N 0 0 440.590 3.647 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000014198160 556389408 /nfs/dbraw/zinc/38/94/08/556389408.db2.gz QMGJHEVYJQFQTR-OAHLLOKOSA-N 0 0 439.541 3.688 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN[C@H](C)c1ccccc1Cl ZINC000014199190 556390290 /nfs/dbraw/zinc/39/02/90/556390290.db2.gz DABDGGPPZYGMSO-CYBMUJFWSA-N 0 0 438.753 3.816 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000014200635 556391118 /nfs/dbraw/zinc/39/11/18/556391118.db2.gz GFWJJPPXUZWTHT-UHFFFAOYSA-N 0 0 434.414 3.610 50 0 IHAARN Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1CCc1ccc(Cl)cc1 ZINC000014202183 556392382 /nfs/dbraw/zinc/39/23/82/556392382.db2.gz NYLCWOYBLMUPHJ-UHFFFAOYSA-N 0 0 427.976 3.738 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014202100 556392393 /nfs/dbraw/zinc/39/23/93/556392393.db2.gz GOBNOUVKZBLXIK-NHCUHLMSSA-N 0 0 441.524 3.636 50 0 IHAARN O=C(COc1nc(-c2ccccc2)n2ccncc12)Nc1cc2c(cc1Cl)OCCO2 ZINC000032810335 556396668 /nfs/dbraw/zinc/39/66/68/556396668.db2.gz HMRNMPBWYGAPRR-UHFFFAOYSA-N 0 0 436.855 3.838 50 0 IHAARN O=S(=O)(NCCCOc1ccccc1)c1cc(Br)ccc1Br ZINC000032811128 556398312 /nfs/dbraw/zinc/39/83/12/556398312.db2.gz LXMWYWRVZVAQID-UHFFFAOYSA-N 0 0 449.164 3.959 50 0 IHAARN COCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000014236750 556399415 /nfs/dbraw/zinc/39/94/15/556399415.db2.gz QTXVZSRAJLPOIE-UHFFFAOYSA-N 0 0 426.473 3.833 50 0 IHAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014237291 556399632 /nfs/dbraw/zinc/39/96/32/556399632.db2.gz XKGSGBZTQLVOJW-IBGZPJMESA-N 0 0 434.558 3.967 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3ccc(OC(F)F)cc3)cc2)c1C ZINC000032818988 556399645 /nfs/dbraw/zinc/39/96/45/556399645.db2.gz PLVFNLAWKOQEFE-UHFFFAOYSA-N 0 0 443.450 3.931 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O ZINC000014241494 556401758 /nfs/dbraw/zinc/40/17/58/556401758.db2.gz FRJNWEOTHRYULY-DZGCQCFKSA-N 0 0 427.888 3.550 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000014242385 556402876 /nfs/dbraw/zinc/40/28/76/556402876.db2.gz ICWKXCILXAXXOT-UHFFFAOYSA-N 0 0 448.972 3.811 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c1C ZINC000022930840 556403838 /nfs/dbraw/zinc/40/38/38/556403838.db2.gz DSDIREZBKBURBC-UHFFFAOYSA-N 0 0 428.964 3.542 50 0 IHAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000014245405 556405163 /nfs/dbraw/zinc/40/51/63/556405163.db2.gz ROZYOYYYOJHAGZ-CGTJXYLNSA-N 0 0 440.556 3.841 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)NCCSCc2ccc(Br)s2)s1 ZINC000014245986 556405836 /nfs/dbraw/zinc/40/58/36/556405836.db2.gz OLKXSMOYYPDWPG-UHFFFAOYSA-N 0 0 433.418 3.660 50 0 IHAARN COc1ccc(N2CCN(CC(=O)N3CCS[C@H](c4ccccc4C)CC3)C2=O)cc1 ZINC000219295540 556409167 /nfs/dbraw/zinc/40/91/67/556409167.db2.gz ACTQBNYDXXXOEF-QFIPXVFZSA-N 0 0 439.581 3.952 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219317978 556409314 /nfs/dbraw/zinc/40/93/14/556409314.db2.gz SZBKLGSHPBTAQG-LJQANCHMSA-N 0 0 440.537 3.536 50 0 IHAARN CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc(-c4ccco4)n3C)CC2)cc1 ZINC000014252160 556409579 /nfs/dbraw/zinc/40/95/79/556409579.db2.gz LZOKNNQSWDCBMP-UHFFFAOYSA-N 0 0 439.585 3.635 50 0 IHAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000014254875 556410372 /nfs/dbraw/zinc/41/03/72/556410372.db2.gz GZDIMXNLKIUSCQ-SFHVURJKSA-N 0 0 439.364 3.731 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCn1ccc2ccccc21 ZINC000032819427 556411943 /nfs/dbraw/zinc/41/19/43/556411943.db2.gz XFOZARUVPSFMFX-UHFFFAOYSA-N 0 0 444.461 3.854 50 0 IHAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000032820053 556412177 /nfs/dbraw/zinc/41/21/77/556412177.db2.gz DTQVZUQAEFFGNZ-XMMPIXPASA-N 0 0 428.488 3.809 50 0 IHAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O ZINC000032820586 556412416 /nfs/dbraw/zinc/41/24/16/556412416.db2.gz JGWDIKSFKXHBHK-HSZRJFAPSA-N 0 0 438.553 3.538 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000032648812 556413630 /nfs/dbraw/zinc/41/36/30/556413630.db2.gz ODEBALRPOYXJDS-AWEZNQCLSA-N 0 0 432.293 3.917 50 0 IHAARN COc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1OC(F)F ZINC000014361513 556414773 /nfs/dbraw/zinc/41/47/73/556414773.db2.gz AQWIYGWTWNJJOU-UHFFFAOYSA-N 0 0 433.451 3.935 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H](C)O)cc1 ZINC000032672256 556415037 /nfs/dbraw/zinc/41/50/37/556415037.db2.gz DOWHNIQZXMNCJQ-KBPBESRZSA-N 0 0 431.945 3.858 50 0 IHAARN COC(=O)c1ccc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000032665984 556417319 /nfs/dbraw/zinc/41/73/19/556417319.db2.gz CQUXLQANHHDIPL-FQEVSTJZSA-N 0 0 441.434 3.893 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl ZINC000032836581 556418278 /nfs/dbraw/zinc/41/82/78/556418278.db2.gz DPBQLVDYTSNIOH-UHFFFAOYSA-N 0 0 435.933 3.508 50 0 IHAARN CCCn1c2ccccc2n(CC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1=O ZINC000032836952 556418473 /nfs/dbraw/zinc/41/84/73/556418473.db2.gz QBICYWHAOHUBMA-NRFANRHFSA-N 0 0 437.931 3.506 50 0 IHAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000012972301 556419205 /nfs/dbraw/zinc/41/92/05/556419205.db2.gz IHVBVNSTSYXKCV-LJQANCHMSA-N 0 0 439.364 3.731 50 0 IHAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 ZINC000012974658 556420530 /nfs/dbraw/zinc/42/05/30/556420530.db2.gz STLCYJZRBKDSFN-SFHVURJKSA-N 0 0 437.359 3.771 50 0 IHAARN CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)c1=O ZINC000012975269 556421103 /nfs/dbraw/zinc/42/11/03/556421103.db2.gz UAQIOHDEUNTHHQ-UHFFFAOYSA-N 0 0 429.476 3.923 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012978056 556422803 /nfs/dbraw/zinc/42/28/03/556422803.db2.gz NYLUQCANRLCGQB-HJFDCUHHSA-N 0 0 439.556 3.800 50 0 IHAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000012978912 556423323 /nfs/dbraw/zinc/42/33/23/556423323.db2.gz WIAAPAJQGBAQRJ-UHFFFAOYSA-N 0 0 430.570 3.728 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1F ZINC000012979295 556423712 /nfs/dbraw/zinc/42/37/12/556423712.db2.gz XDUFGPWCKPUCBG-UHFFFAOYSA-N 0 0 426.477 3.584 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c(C)c1 ZINC000012981449 556424517 /nfs/dbraw/zinc/42/45/17/556424517.db2.gz VRCVUFIZIHTHNJ-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012984893 556426164 /nfs/dbraw/zinc/42/61/64/556426164.db2.gz HIOOSUJFTDUESC-UHFFFAOYSA-N 0 0 437.927 3.898 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012984926 556426242 /nfs/dbraw/zinc/42/62/42/556426242.db2.gz UDCSINIKSVQZNR-UHFFFAOYSA-N 0 0 441.959 3.852 50 0 IHAARN Nc1nc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nc2sccc21 ZINC000032841111 556426821 /nfs/dbraw/zinc/42/68/21/556426821.db2.gz RSJQBANIXVAIRK-ZDUSSCGKSA-N 0 0 425.495 3.930 50 0 IHAARN CCNC(=O)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000012987976 556427900 /nfs/dbraw/zinc/42/79/00/556427900.db2.gz FNCHYUADVQRSGD-UHFFFAOYSA-N 0 0 425.341 3.627 50 0 IHAARN COc1cc(OC)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1Cl ZINC000012989094 556428189 /nfs/dbraw/zinc/42/81/89/556428189.db2.gz AZFYZIYHYPBFFS-UHFFFAOYSA-N 0 0 433.917 3.715 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012994482 556430002 /nfs/dbraw/zinc/43/00/02/556430002.db2.gz VTEWGVYIXPBCKK-QHCPKHFHSA-N 0 0 442.581 3.850 50 0 IHAARN CCOc1cc2c(cc1COC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)O[C@H](C)C2 ZINC000032848677 556430840 /nfs/dbraw/zinc/43/08/40/556430840.db2.gz OTOARZGUMIHUAT-MRXNPFEDSA-N 0 0 445.537 3.550 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000014688213 556432689 /nfs/dbraw/zinc/43/26/89/556432689.db2.gz ZFWJVNDTBIUFPK-UHFFFAOYSA-N 0 0 434.602 3.672 50 0 IHAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc2c(c1)OCCO2 ZINC000032856011 556433312 /nfs/dbraw/zinc/43/33/12/556433312.db2.gz VBSNNLRWVXKBRW-KRWDZBQOSA-N 0 0 438.427 3.596 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000027833458 556433937 /nfs/dbraw/zinc/43/39/37/556433937.db2.gz BDYDNHLAARKELU-UHFFFAOYSA-N 0 0 436.477 3.607 50 0 IHAARN O=C(CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)cc1 ZINC000027828404 556433987 /nfs/dbraw/zinc/43/39/87/556433987.db2.gz OTMKOBATXWBRKE-UHFFFAOYSA-N 0 0 447.304 3.536 50 0 IHAARN COc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC000027956589 556435894 /nfs/dbraw/zinc/43/58/94/556435894.db2.gz CKCMHJLETOOIAL-MRXNPFEDSA-N 0 0 437.489 3.530 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)NCc2ccccc2F)c2ccccc2c1=O ZINC000013014367 556437098 /nfs/dbraw/zinc/43/70/98/556437098.db2.gz JLKXFLVUKXOPJC-UHFFFAOYSA-N 0 0 439.487 3.589 50 0 IHAARN CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)CC2 ZINC000014732874 556437480 /nfs/dbraw/zinc/43/74/80/556437480.db2.gz LSANAAQMGNMETH-HNNXBMFYSA-N 0 0 445.947 3.784 50 0 IHAARN COc1ccccc1OCCNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000027977857 556438117 /nfs/dbraw/zinc/43/81/17/556438117.db2.gz RCADVHOZEZMTPD-UHFFFAOYSA-N 0 0 444.582 3.561 50 0 IHAARN COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000013017696 556438671 /nfs/dbraw/zinc/43/86/71/556438671.db2.gz IAJBYHRKOZZSSD-UHFFFAOYSA-N 0 0 444.443 3.755 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000013028545 556441582 /nfs/dbraw/zinc/44/15/82/556441582.db2.gz VJOVOYLDJDKHRP-FQEVSTJZSA-N 0 0 429.524 3.659 50 0 IHAARN O=C1CN(Cc2cccc(F)c2F)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014747484 556441954 /nfs/dbraw/zinc/44/19/54/556441954.db2.gz VLFMDQMZPYGLAK-QFIPXVFZSA-N 0 0 437.490 3.790 50 0 IHAARN Cc1ccc(-c2nnc(SCCCNc3c[nH]c(=O)[nH]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000028047648 556443041 /nfs/dbraw/zinc/44/30/41/556443041.db2.gz HGGBKRUSWRHYBD-UHFFFAOYSA-N 0 0 448.552 3.522 50 0 IHAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)cs2)cc1 ZINC000013038053 556443847 /nfs/dbraw/zinc/44/38/47/556443847.db2.gz SVTNQUASGDLWOY-UHFFFAOYSA-N 0 0 446.573 3.841 50 0 IHAARN CCOc1ccccc1OCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1 ZINC000013039653 556445308 /nfs/dbraw/zinc/44/53/08/556445308.db2.gz KTADRUIHHKACRK-FQEVSTJZSA-N 0 0 440.540 3.727 50 0 IHAARN Cc1cc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1C(C)C ZINC000032859792 556446330 /nfs/dbraw/zinc/44/63/30/556446330.db2.gz XNEKNXIUSGPEKB-SFHVURJKSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014800656 556446557 /nfs/dbraw/zinc/44/65/57/556446557.db2.gz ZGDYQCKBYZKULI-UHFFFAOYSA-N 0 0 443.594 3.802 50 0 IHAARN CSCc1nnc(SCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)o1 ZINC000032860382 556447470 /nfs/dbraw/zinc/44/74/70/556447470.db2.gz HTNXPMBFHCSNKN-UHFFFAOYSA-N 0 0 428.583 3.522 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000013057834 556449452 /nfs/dbraw/zinc/44/94/52/556449452.db2.gz ZGMCIVJQENRSLO-UHFFFAOYSA-N 0 0 442.566 3.751 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000032868906 556449522 /nfs/dbraw/zinc/44/95/22/556449522.db2.gz KRGCDIWQFDAJPG-OAQYLSRUSA-N 0 0 448.548 3.997 50 0 IHAARN COc1ccc(CN(C)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1 ZINC000013058799 556449845 /nfs/dbraw/zinc/44/98/45/556449845.db2.gz REEJRIXDAPZNIF-UHFFFAOYSA-N 0 0 443.547 3.861 50 0 IHAARN CC(C)c1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccco1 ZINC000032865342 556450343 /nfs/dbraw/zinc/45/03/43/556450343.db2.gz YBYOOOVCGGBXKS-IBGZPJMESA-N 0 0 426.542 3.735 50 0 IHAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)s1 ZINC000032865732 556451039 /nfs/dbraw/zinc/45/10/39/556451039.db2.gz MBMJASHHQKWPLJ-UHFFFAOYSA-N 0 0 433.580 3.802 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1Cn1ccnc1 ZINC000032865694 556451058 /nfs/dbraw/zinc/45/10/58/556451058.db2.gz FZIPRAVWRLKCDW-UHFFFAOYSA-N 0 0 438.535 3.993 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1S(=O)(=O)N1CCCCCC1 ZINC000013072111 556453740 /nfs/dbraw/zinc/45/37/40/556453740.db2.gz ZUCWPPOELYGKOF-UHFFFAOYSA-N 0 0 449.598 3.848 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000028419361 556454381 /nfs/dbraw/zinc/45/43/81/556454381.db2.gz CJHAWGDBJMUQNQ-CQSZACIVSA-N 0 0 435.962 3.965 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013074861 556455358 /nfs/dbraw/zinc/45/53/58/556455358.db2.gz FXENOZQUODGJDS-INIZCTEOSA-N 0 0 446.878 3.828 50 0 IHAARN COC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 ZINC000014890309 556456255 /nfs/dbraw/zinc/45/62/55/556456255.db2.gz NQXVVZMOMNVEBN-UHFFFAOYSA-N 0 0 449.507 3.582 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000028677930 556458669 /nfs/dbraw/zinc/45/86/69/556458669.db2.gz LGAZXYAGAFCMSK-OAHLLOKOSA-N 0 0 437.569 3.999 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)CNC(=O)c3cccs3)n2)cc1 ZINC000013100463 556459838 /nfs/dbraw/zinc/45/98/38/556459838.db2.gz BRRZZAILDWKMDI-ZDUSSCGKSA-N 0 0 443.550 3.734 50 0 IHAARN CCOc1ccc2nc(NC(=O)CN3C(=S)N=NC3c3ccc(OC)cc3)sc2c1 ZINC000028835274 556462069 /nfs/dbraw/zinc/46/20/69/556462069.db2.gz BNDDBGSQBXKBBI-UHFFFAOYSA-N 0 0 441.538 3.890 50 0 IHAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn2ccccc2n1)c1cccs1 ZINC000028834729 556462126 /nfs/dbraw/zinc/46/21/26/556462126.db2.gz VGPRUCGVCNXILA-FQEVSTJZSA-N 0 0 443.532 3.535 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc(C)c(CC(N)=O)s2)cs1 ZINC000032871389 556462637 /nfs/dbraw/zinc/46/26/37/556462637.db2.gz BERMEMFJEXXAAD-UHFFFAOYSA-N 0 0 444.607 3.593 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)sc1CC(N)=O ZINC000032871385 556462802 /nfs/dbraw/zinc/46/28/02/556462802.db2.gz XDFIDIPKXFPORH-MRVPVSSYSA-N 0 0 432.340 3.500 50 0 IHAARN C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000013112558 556465251 /nfs/dbraw/zinc/46/52/51/556465251.db2.gz MOAUPROLBBRUJK-QGZVFWFLSA-N 0 0 432.476 3.602 50 0 IHAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013113404 556466515 /nfs/dbraw/zinc/46/65/15/556466515.db2.gz MOBXTYDMQITMTG-UHFFFAOYSA-N 0 0 439.320 3.886 50 0 IHAARN CCOC(=O)Nc1cccc(C(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000029131481 556468229 /nfs/dbraw/zinc/46/82/29/556468229.db2.gz LDOSWBUFDQSTKM-HXUWFJFHSA-N 0 0 438.484 3.525 50 0 IHAARN Cn1cccc1C(=O)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000013117050 556469100 /nfs/dbraw/zinc/46/91/00/556469100.db2.gz JIJVXMMBHUYRLU-UHFFFAOYSA-N 0 0 426.498 3.885 50 0 IHAARN O=C(CN1C(=O)CSc2ccccc21)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000029242781 556470636 /nfs/dbraw/zinc/47/06/36/556470636.db2.gz CJEHRSOMQLHAAO-UHFFFAOYSA-N 0 0 439.518 3.659 50 0 IHAARN Cc1nonc1CN(C)[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000014988998 556474015 /nfs/dbraw/zinc/47/40/15/556474015.db2.gz RRYZNFXVBHTZIG-SFHVURJKSA-N 0 0 449.580 3.772 50 0 IHAARN CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc32)[C@H](O)[C@@H]1c1ccc(OC)cc1 ZINC000013122287 556474868 /nfs/dbraw/zinc/47/48/68/556474868.db2.gz DULZPFDNCTYXTA-DQEYMECFSA-N 0 0 449.507 3.558 50 0 IHAARN C[C@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1F ZINC000072285041 556475729 /nfs/dbraw/zinc/47/57/29/556475729.db2.gz ATBXKIJJMSWDIG-IBGZPJMESA-N 0 0 436.256 3.755 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029474563 556476070 /nfs/dbraw/zinc/47/60/70/556476070.db2.gz MIICGUPDGWUTGW-HNNXBMFYSA-N 0 0 432.571 3.547 50 0 IHAARN CNc1nnc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000013127767 556476338 /nfs/dbraw/zinc/47/63/38/556476338.db2.gz IDMBGOWXCMWGTK-ZDUSSCGKSA-N 0 0 427.555 3.802 50 0 IHAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029569426 556478020 /nfs/dbraw/zinc/47/80/20/556478020.db2.gz ZGOVSQDWAHVYKH-UHFFFAOYSA-N 0 0 446.478 3.743 50 0 IHAARN CN(Cc1ccco1)C(=O)c1cc2nc(C3CCC3)n(C)c2c(NC(=O)[C@@H]2CCCO2)c1 ZINC000014998672 556478966 /nfs/dbraw/zinc/47/89/66/556478966.db2.gz QUIACTAWRUAZBM-FQEVSTJZSA-N 0 0 436.512 3.824 50 0 IHAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000029636596 556479503 /nfs/dbraw/zinc/47/95/03/556479503.db2.gz LKDJHBFCMOXIDT-OAQYLSRUSA-N 0 0 439.585 3.686 50 0 IHAARN CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCOCC1 ZINC000029768559 556482184 /nfs/dbraw/zinc/48/21/84/556482184.db2.gz WSCVCJYNLSAHEN-UHFFFAOYSA-N 0 0 449.525 3.983 50 0 IHAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc2c(c1)OCO2 ZINC000032874046 556482349 /nfs/dbraw/zinc/48/23/49/556482349.db2.gz YBBCOQDZUDJARA-CQSZACIVSA-N 0 0 438.553 3.914 50 0 IHAARN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000072290125 556485644 /nfs/dbraw/zinc/48/56/44/556485644.db2.gz WYRJESIAGKHBMQ-UHFFFAOYSA-N 0 0 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3.742 50 0 IHAARN Cc1nc2cc(OCc3cc(C(=O)N(C)CCc4c(C)n[nH]c4C)no3)ccc2s1 ZINC000015075288 556498812 /nfs/dbraw/zinc/49/88/12/556498812.db2.gz HWUNKTVVYMCOOB-UHFFFAOYSA-N 0 0 425.514 3.826 50 0 IHAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3scnc3C)C2)c1 ZINC000015075485 556499215 /nfs/dbraw/zinc/49/92/15/556499215.db2.gz DZDWLYCTKHCSTR-SFHVURJKSA-N 0 0 429.586 3.728 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015080005 556500680 /nfs/dbraw/zinc/50/06/80/556500680.db2.gz BSXHHLIUPTWCNW-UHFFFAOYSA-N 0 0 448.850 3.632 50 0 IHAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000030669392 556501753 /nfs/dbraw/zinc/50/17/53/556501753.db2.gz QRBKRWRPUAQGJG-MOPGFXCFSA-N 0 0 434.565 3.894 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000032878896 556502563 /nfs/dbraw/zinc/50/25/63/556502563.db2.gz WYOAOGKYBFIFPP-UHFFFAOYSA-N 0 0 437.974 3.704 50 0 IHAARN CCOc1cc2c(cc1NC(=O)CCc1c(C)nc3c(c(OC)nn3C)c1C)O[C@@H](C)C2 ZINC000030726772 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IHAARN C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000030822309 556506722 /nfs/dbraw/zinc/50/67/22/556506722.db2.gz KGOFVDGUWQVJKG-RUZDIDTESA-N 0 0 443.576 3.936 50 0 IHAARN Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030851993 556508987 /nfs/dbraw/zinc/50/89/87/556508987.db2.gz DPLNZNPTOUJISB-HNNXBMFYSA-N 0 0 432.402 3.507 50 0 IHAARN C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000032883741 556509605 /nfs/dbraw/zinc/50/96/05/556509605.db2.gz WPYNVEWCTFHKES-KRWDZBQOSA-N 0 0 437.569 3.980 50 0 IHAARN O=C(c1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2ccccc21)N1CCOCC1 ZINC000032888328 556510732 /nfs/dbraw/zinc/51/07/32/556510732.db2.gz FETBYPGLAAPYHE-UHFFFAOYSA-N 0 0 441.535 3.968 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc1C(N)=O ZINC000072294545 556510733 /nfs/dbraw/zinc/51/07/33/556510733.db2.gz DYSVRPLFNBBNKX-UHFFFAOYSA-N 0 0 435.549 3.700 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000013533328 556512887 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435.524 3.749 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC000032892837 556520413 /nfs/dbraw/zinc/52/04/13/556520413.db2.gz KIRAQNQKXASVJX-INIZCTEOSA-N 0 0 425.489 3.761 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000013568852 556521225 /nfs/dbraw/zinc/52/12/25/556521225.db2.gz CIKZMZWXZRBDEE-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN C[S@](=O)C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000072298103 556521597 /nfs/dbraw/zinc/52/15/97/556521597.db2.gz UAFNMVMWUGAGGB-PZGXJGMVSA-N 0 0 441.574 3.510 50 0 IHAARN COc1ccc2[nH]cc([C@@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)Nc4ncnn43)c2c1 ZINC000013570632 556521791 /nfs/dbraw/zinc/52/17/91/556521791.db2.gz LJGGGOAAYAGOSO-HXUWFJFHSA-N 0 0 434.887 3.751 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1ccccc1OCC)(Nc1ccc(F)cc1)C(F)(F)F ZINC000003103566 556522830 /nfs/dbraw/zinc/52/28/30/556522830.db2.gz XMQROMUHPZJWIQ-LJQANCHMSA-N 0 0 428.382 3.888 50 0 IHAARN C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000015372431 556523415 /nfs/dbraw/zinc/52/34/15/556523415.db2.gz MVDXAXHEAVPINB-IBGZPJMESA-N 0 0 429.567 3.582 50 0 IHAARN COc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000013572867 556523516 /nfs/dbraw/zinc/52/35/16/556523516.db2.gz HCCWRYAMNCKOGP-QHCPKHFHSA-N 0 0 445.519 3.569 50 0 IHAARN O=C(CSCc1ccc(Cl)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000015378258 556523576 /nfs/dbraw/zinc/52/35/76/556523576.db2.gz RADYRFIDZFUOJB-INIZCTEOSA-N 0 0 430.016 3.851 50 0 IHAARN CC(C)CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000060104118 556528264 /nfs/dbraw/zinc/52/82/64/556528264.db2.gz HSFWLAODUAAHDC-CRAIPNDOSA-N 0 0 436.599 3.675 50 0 IHAARN Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nn12 ZINC000032088280 556528425 /nfs/dbraw/zinc/52/84/25/556528425.db2.gz GREIOMIDFSXYGX-GFCCVEGCSA-N 0 0 438.841 3.960 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 ZINC000015447888 556528556 /nfs/dbraw/zinc/52/85/56/556528556.db2.gz QELFSOSJMFGCGH-HSZRJFAPSA-N 0 0 432.549 3.631 50 0 IHAARN CN(C)C(=O)[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000015449883 556528785 /nfs/dbraw/zinc/52/87/85/556528785.db2.gz JLBCOUDBZKRNJQ-KRWDZBQOSA-N 0 0 426.870 3.705 50 0 IHAARN CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000015449884 556528859 /nfs/dbraw/zinc/52/88/59/556528859.db2.gz JLBCOUDBZKRNJQ-QGZVFWFLSA-N 0 0 426.870 3.705 50 0 IHAARN O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCc1ccc(Cl)cc1 ZINC000013592018 556530075 /nfs/dbraw/zinc/53/00/75/556530075.db2.gz PVRAYHRZSCZDNV-UHFFFAOYSA-N 0 0 438.940 3.817 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013591873 556530114 /nfs/dbraw/zinc/53/01/14/556530114.db2.gz DTRQURRXEMXZLL-INIZCTEOSA-N 0 0 425.872 3.793 50 0 IHAARN Cc1nc(NC(=O)CN2C(=O)CSc3ccccc32)sc1-c1nccn1C(F)F ZINC000032899774 556531347 /nfs/dbraw/zinc/53/13/47/556531347.db2.gz ZFYNIBHOHDXFME-UHFFFAOYSA-N 0 0 435.481 3.788 50 0 IHAARN O=C1c2ccccc2N[C@H](c2cc3c(c(Br)c2)OCO3)N1C[C@@H]1CCCO1 ZINC000015503796 556531615 /nfs/dbraw/zinc/53/16/15/556531615.db2.gz BOHMAYFVEBJQKT-DJJJIMSYSA-N 0 0 431.286 3.923 50 0 IHAARN O=C(CCSc1nnc2ccc(C(F)(F)F)cn21)Nc1ccc(N2CCCC2=O)cc1 ZINC000032899847 556531633 /nfs/dbraw/zinc/53/16/33/556531633.db2.gz ZIYCJIWXVFXXIS-UHFFFAOYSA-N 0 0 449.458 3.996 50 0 IHAARN CC(C)Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)no1 ZINC000013596012 556532023 /nfs/dbraw/zinc/53/20/23/556532023.db2.gz DIYRDLPUSYTFCV-LJQANCHMSA-N 0 0 426.561 3.602 50 0 IHAARN COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000015518917 556532878 /nfs/dbraw/zinc/53/28/78/556532878.db2.gz VUEVANXEHIYCHN-OAQYLSRUSA-N 0 0 439.556 3.521 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013615235 556535305 /nfs/dbraw/zinc/53/53/05/556535305.db2.gz BYGVXSJBCSSPQT-UHFFFAOYSA-N 0 0 433.382 3.668 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc21 ZINC000015599813 556537230 /nfs/dbraw/zinc/53/72/30/556537230.db2.gz BQLNWMSBHRYWKW-IBGZPJMESA-N 0 0 441.578 3.986 50 0 IHAARN C[C@@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000032901768 556537462 /nfs/dbraw/zinc/53/74/62/556537462.db2.gz IJMCXTJARXDQQV-GFCCVEGCSA-N 0 0 427.931 3.614 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000015621304 556538947 /nfs/dbraw/zinc/53/89/47/556538947.db2.gz PDKPKVUVMGPLIA-AWEZNQCLSA-N 0 0 437.359 3.725 50 0 IHAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000032902945 556541238 /nfs/dbraw/zinc/54/12/38/556541238.db2.gz ZQFXEGDGRAVHFH-MGPUTAFESA-N 0 0 442.441 3.798 50 0 IHAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000032902947 556541450 /nfs/dbraw/zinc/54/14/50/556541450.db2.gz ZQFXEGDGRAVHFH-FOIQADDNSA-N 0 0 442.441 3.798 50 0 IHAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000013653652 556545732 /nfs/dbraw/zinc/54/57/32/556545732.db2.gz DTRZSWNIQGRJOL-QFIPXVFZSA-N 0 0 431.492 3.730 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 ZINC000013655991 556546358 /nfs/dbraw/zinc/54/63/58/556546358.db2.gz HMZSGZQGLXOMFR-IBGZPJMESA-N 0 0 432.524 3.936 50 0 IHAARN Cn1ccnc1C[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000072303153 556546987 /nfs/dbraw/zinc/54/69/87/556546987.db2.gz XZZXSSVMRQYENX-KRWDZBQOSA-N 0 0 431.277 3.739 50 0 IHAARN Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1NC(=O)NCC(C)(C)C[C@H](C)O ZINC000072304720 556549266 /nfs/dbraw/zinc/54/92/66/556549266.db2.gz RUXHQGARJRMQIH-IRXDYDNUSA-N 0 0 436.597 3.832 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NC1CCCCCC1 ZINC000015779775 556551069 /nfs/dbraw/zinc/55/10/69/556551069.db2.gz UXCMJDUBKKWAKA-UHFFFAOYSA-N 0 0 427.936 3.695 50 0 IHAARN O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032906361 556552218 /nfs/dbraw/zinc/55/22/18/556552218.db2.gz UVUXYYLXJVUTIU-ZDUSSCGKSA-N 0 0 439.256 3.720 50 0 IHAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOCCOc1ccccc1C ZINC000015800544 556553013 /nfs/dbraw/zinc/55/30/13/556553013.db2.gz FISZBCROSXSURQ-ZHZULCJRSA-N 0 0 428.510 3.617 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000032905891 556556733 /nfs/dbraw/zinc/55/67/33/556556733.db2.gz KHOJDQLCBWTGOH-UHFFFAOYSA-N 0 0 427.526 3.548 50 0 IHAARN O=C([C@@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)N1CCSCC1 ZINC000033266383 556557569 /nfs/dbraw/zinc/55/75/69/556557569.db2.gz HBHHPYMVWMVDDQ-QGZVFWFLSA-N 0 0 441.988 3.842 50 0 IHAARN CC[C@](C)(CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 ZINC000072306339 556559934 /nfs/dbraw/zinc/55/99/34/556559934.db2.gz BHLGMVGAYDXUOD-YADARESESA-N 0 0 431.577 3.925 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000072307244 556562101 /nfs/dbraw/zinc/56/21/01/556562101.db2.gz XDZNMDWLEBRIAO-FGZHOGPDSA-N 0 0 430.570 3.676 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000072307247 556562131 /nfs/dbraw/zinc/56/21/31/556562131.db2.gz XDZNMDWLEBRIAO-VXKWHMMOSA-N 0 0 430.570 3.676 50 0 IHAARN O=C(CN(CCc1ccccc1)c1ccc(O)cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000072308363 556566202 /nfs/dbraw/zinc/56/62/02/556566202.db2.gz VAWPZLLLAWMQCI-UHFFFAOYSA-N 0 0 429.520 3.972 50 0 IHAARN O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccnn1Cc1cccs1 ZINC000072309185 556569695 /nfs/dbraw/zinc/56/96/95/556569695.db2.gz DAAMIWJWWFHCSE-UHFFFAOYSA-N 0 0 446.532 3.827 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000032960624 556570838 /nfs/dbraw/zinc/57/08/38/556570838.db2.gz ZTNVPSHRMBIICY-UHFFFAOYSA-N 0 0 443.525 3.681 50 0 IHAARN Cn1c(CCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc2ccccc21 ZINC000032960861 556571159 /nfs/dbraw/zinc/57/11/59/556571159.db2.gz KNXZJAITESDXQT-UHFFFAOYSA-N 0 0 438.487 3.593 50 0 IHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000015989874 556571478 /nfs/dbraw/zinc/57/14/78/556571478.db2.gz WVTYDKLYPZOZOS-CQSZACIVSA-N 0 0 429.926 3.919 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000015997379 556572043 /nfs/dbraw/zinc/57/20/43/556572043.db2.gz CFGBGAAYZVHDEH-CHWSQXEVSA-N 0 0 426.897 3.529 50 0 IHAARN O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000002830507 556574983 /nfs/dbraw/zinc/57/49/83/556574983.db2.gz ILVCPMQHHNULJG-UHFFFAOYSA-N 0 0 441.380 3.753 50 0 IHAARN COc1ccc(NC(=O)C2(NC(=O)c3cc4c(C)nn(C)c4s3)CCCC2)cc1OC ZINC000072310328 556575632 /nfs/dbraw/zinc/57/56/32/556575632.db2.gz QDJYNOGBCXVFRR-UHFFFAOYSA-N 0 0 442.541 3.642 50 0 IHAARN CC(C)OCCOC[C@H](O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000072310422 556576113 /nfs/dbraw/zinc/57/61/13/556576113.db2.gz QGLCMTYXLWKIGT-GOSISDBHSA-N 0 0 444.553 3.945 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N(c1ccccc1)C1CCCCC1 ZINC000016046693 556580403 /nfs/dbraw/zinc/58/04/03/556580403.db2.gz ZGKLLSYTHWVXCL-QHCPKHFHSA-N 0 0 444.535 3.997 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(C)c1 ZINC000016100968 556582974 /nfs/dbraw/zinc/58/29/74/556582974.db2.gz KRSDUEJLOONUPF-UHFFFAOYSA-N 0 0 444.578 3.925 50 0 IHAARN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C[C@H](C)O1 ZINC000034858856 556584041 /nfs/dbraw/zinc/58/40/41/556584041.db2.gz YNSAWRRUGSATTC-KBPBESRZSA-N 0 0 440.924 3.554 50 0 IHAARN C[C@@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccccc2)C[C@H](C)O1 ZINC000034921907 556586566 /nfs/dbraw/zinc/58/65/66/556586566.db2.gz IUAPSJYMLKIQFN-IYBDPMFKSA-N 0 0 432.480 3.865 50 0 IHAARN COC(=O)C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccc(OC)c(OC)c1 ZINC000016181933 556587257 /nfs/dbraw/zinc/58/72/57/556587257.db2.gz SVZQGHIPOUWTNE-QGZVFWFLSA-N 0 0 431.872 3.554 50 0 IHAARN O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000032971503 556589344 /nfs/dbraw/zinc/58/93/44/556589344.db2.gz YURODVSNEUUKJU-UHFFFAOYSA-N 0 0 436.537 3.844 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl ZINC000032913720 556594946 /nfs/dbraw/zinc/59/49/46/556594946.db2.gz NGCIYIZNTYPTLE-RYUDHWBXSA-N 0 0 441.290 3.709 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016262137 556595185 /nfs/dbraw/zinc/59/51/85/556595185.db2.gz JLEVCUGRYKXOCB-PKOBYXMFSA-N 0 0 446.338 3.732 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016262134 556595218 /nfs/dbraw/zinc/59/52/18/556595218.db2.gz JLEVCUGRYKXOCB-MJGOQNOKSA-N 0 0 446.338 3.732 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000032974259 556596470 /nfs/dbraw/zinc/59/64/70/556596470.db2.gz VTKNZZMLVBJEIA-KRWDZBQOSA-N 0 0 440.540 3.832 50 0 IHAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@@H]1c1ccccc1 ZINC000036358283 556597327 /nfs/dbraw/zinc/59/73/27/556597327.db2.gz ZBOFSXWQFDNKRP-ZEQRLZLVSA-N 0 0 437.503 3.876 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCN1CCCC1=O ZINC000016347098 556601575 /nfs/dbraw/zinc/60/15/75/556601575.db2.gz GCVMFZAFEQVFFX-UHFFFAOYSA-N 0 0 431.583 3.891 50 0 IHAARN CC[C@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000016381599 556603809 /nfs/dbraw/zinc/60/38/09/556603809.db2.gz GWLMNMGLBDBMGE-SFHVURJKSA-N 0 0 433.346 3.920 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC ZINC000016406435 556606071 /nfs/dbraw/zinc/60/60/71/556606071.db2.gz XDSNENLHEZBCRK-ZDUSSCGKSA-N 0 0 428.407 3.868 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000016447516 556608044 /nfs/dbraw/zinc/60/80/44/556608044.db2.gz QSMJYUSRIQMURX-UHFFFAOYSA-N 0 0 432.505 3.604 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2Cl)CC1 ZINC000016447956 556608240 /nfs/dbraw/zinc/60/82/40/556608240.db2.gz CYKIHLANFAQLID-UHFFFAOYSA-N 0 0 431.920 3.668 50 0 IHAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000032987985 556608716 /nfs/dbraw/zinc/60/87/16/556608716.db2.gz YHHFQEWWBGNFNC-IBGZPJMESA-N 0 0 428.916 3.985 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000032996052 556611226 /nfs/dbraw/zinc/61/12/26/556611226.db2.gz ZPJVQRRBHICFPR-UHFFFAOYSA-N 0 0 442.427 3.704 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000016499303 556613042 /nfs/dbraw/zinc/61/30/42/556613042.db2.gz AJKTVHVMNRDNFU-SFHVURJKSA-N 0 0 437.507 3.894 50 0 IHAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCc4ccccc43)n2)cc1NC(=O)C(C)C ZINC000016648512 556620023 /nfs/dbraw/zinc/62/00/23/556620023.db2.gz SJCNKPZHTIQLOB-SFHVURJKSA-N 0 0 444.535 3.964 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000016681146 556623764 /nfs/dbraw/zinc/62/37/64/556623764.db2.gz QCXJVDJSTXINTG-UHFFFAOYSA-N 0 0 425.832 3.963 50 0 IHAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)o2)c1 ZINC000016684113 556625178 /nfs/dbraw/zinc/62/51/78/556625178.db2.gz IUEXXBJEUHPDNT-UHFFFAOYSA-N 0 0 440.525 3.805 50 0 IHAARN CCOC(=O)Cc1nc2n(c(=O)c1C(=O)OCC)-c1ccccc1Sc1ccccc1-2 ZINC000039257728 556627553 /nfs/dbraw/zinc/62/75/53/556627553.db2.gz NYINJBWXRVEFMV-UHFFFAOYSA-N 0 0 436.489 3.646 50 0 IHAARN O=C(c1ccccc1)c1cc(Cl)ccc1-n1cnnc1CN1C(=O)c2ccccc2C1=O ZINC000039254031 556627574 /nfs/dbraw/zinc/62/75/74/556627574.db2.gz PEKIJLFAGGYWKY-UHFFFAOYSA-N 0 0 442.862 3.948 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016742194 556636013 /nfs/dbraw/zinc/63/60/13/556636013.db2.gz GAEXQPAVMQMABH-HXUWFJFHSA-N 0 0 433.545 3.852 50 0 IHAARN COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1OC ZINC000040391891 556638066 /nfs/dbraw/zinc/63/80/66/556638066.db2.gz CYQTYEPMRCUIMT-UHFFFAOYSA-N 0 0 445.454 3.619 50 0 IHAARN COc1ccccc1N(CCC(N)=O)C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000016768329 556640095 /nfs/dbraw/zinc/64/00/95/556640095.db2.gz SJQPZIGNELUZOP-UHFFFAOYSA-N 0 0 447.866 3.763 50 0 IHAARN COC(=O)C[C@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414654 556640158 /nfs/dbraw/zinc/64/01/58/556640158.db2.gz ZMCWUVKBJRUGKG-HXUWFJFHSA-N 0 0 431.492 3.676 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 ZINC000016818794 556645013 /nfs/dbraw/zinc/64/50/13/556645013.db2.gz ZJUWQFRARDJOEM-ZDUSSCGKSA-N 0 0 432.933 3.709 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O ZINC000038487394 556649091 /nfs/dbraw/zinc/64/90/91/556649091.db2.gz VIMVHRUYPBORDV-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN O=C(CCc1ccccc1)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000032924941 556649394 /nfs/dbraw/zinc/64/93/94/556649394.db2.gz GPUGCSSKSISRBG-UHFFFAOYSA-N 0 0 429.358 3.732 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)cc1 ZINC000011737921 556649875 /nfs/dbraw/zinc/64/98/75/556649875.db2.gz RDBWQXOSILBISX-UHFFFAOYSA-N 0 0 439.472 3.557 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccncc2)ccc1=O ZINC000011746536 556650039 /nfs/dbraw/zinc/65/00/39/556650039.db2.gz GVFYBKWSTZZAEL-UHFFFAOYSA-N 0 0 431.521 3.557 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)c(OC)c1 ZINC000038487867 556650607 /nfs/dbraw/zinc/65/06/07/556650607.db2.gz IKQSCFINFWDNIQ-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016962301 556651238 /nfs/dbraw/zinc/65/12/38/556651238.db2.gz AOPTVWPKVBPHOP-CQSZACIVSA-N 0 0 438.899 3.929 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 ZINC000011757715 556651804 /nfs/dbraw/zinc/65/18/04/556651804.db2.gz ORWITYJPCYUPCK-UHFFFAOYSA-N 0 0 445.610 3.771 50 0 IHAARN COCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000011758031 556651986 /nfs/dbraw/zinc/65/19/86/556651986.db2.gz OJHSFIMJDXAYFH-UHFFFAOYSA-N 0 0 435.553 3.524 50 0 IHAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N(C)Cc2ccsc2)c1 ZINC000011789421 556655217 /nfs/dbraw/zinc/65/52/17/556655217.db2.gz BUAVEVLQTHYMNG-UHFFFAOYSA-N 0 0 426.542 3.759 50 0 IHAARN C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)C1 ZINC000032926860 556655734 /nfs/dbraw/zinc/65/57/34/556655734.db2.gz GKKFRBIDUJIAFE-QGZVFWFLSA-N 0 0 440.617 3.739 50 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3.540 50 0 IHAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000044803371 556667893 /nfs/dbraw/zinc/66/78/93/556667893.db2.gz CBRKLEPTCLNVAK-UHFFFAOYSA-N 0 0 441.528 3.828 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@H]2COc3ccccc3O2)nc1 ZINC000248137278 556669027 /nfs/dbraw/zinc/66/90/27/556669027.db2.gz RYEIBLYNYQIXKD-IBGZPJMESA-N 0 0 439.537 3.573 50 0 IHAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCCC2 ZINC000011915980 556673087 /nfs/dbraw/zinc/67/30/87/556673087.db2.gz VTOVXIAINIEXCO-UHFFFAOYSA-N 0 0 439.493 3.665 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(-c2ccc(CC)cc2)ccc1=O ZINC000011915087 556674115 /nfs/dbraw/zinc/67/41/15/556674115.db2.gz PSBSPJRAJAGZAT-UHFFFAOYSA-N 0 0 425.510 3.902 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100795705 556674696 /nfs/dbraw/zinc/67/46/96/556674696.db2.gz HTXFPJPGGJPTLZ-QRVBRYPASA-N 0 0 432.307 3.538 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000011917555 556674747 /nfs/dbraw/zinc/67/47/47/556674747.db2.gz UANLJKMFYPOPTH-UHFFFAOYSA-N 0 0 436.917 3.884 50 0 IHAARN COc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000032933270 556676595 /nfs/dbraw/zinc/67/65/95/556676595.db2.gz FQIRPCBILXBOPX-CQSZACIVSA-N 0 0 437.418 3.507 50 0 IHAARN NC(=O)c1ccn(-c2cccc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)c2)n1 ZINC000032931915 556676951 /nfs/dbraw/zinc/67/69/51/556676951.db2.gz XUAZMNPSLBJWNQ-UHFFFAOYSA-N 0 0 438.447 3.669 50 0 IHAARN C[C@H](OC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000011962806 556677140 /nfs/dbraw/zinc/67/71/40/556677140.db2.gz WXAVILHNQGNHPZ-SFHVURJKSA-N 0 0 443.503 3.968 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996864 556678827 /nfs/dbraw/zinc/67/88/27/556678827.db2.gz IKNALHUTTROKCV-KRWDZBQOSA-N 0 0 445.928 3.824 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996885 556678854 /nfs/dbraw/zinc/67/88/54/556678854.db2.gz BIFUWIVMSMGVLT-GOSISDBHSA-N 0 0 439.537 3.787 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996852 556678871 /nfs/dbraw/zinc/67/88/71/556678871.db2.gz AACNDTTZCAEWGZ-SFHVURJKSA-N 0 0 439.537 3.787 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 ZINC000017723761 556679029 /nfs/dbraw/zinc/67/90/29/556679029.db2.gz NTYHAIHECWWSLF-IWMITWMQSA-N 0 0 435.476 3.661 50 0 IHAARN CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000017945972 556680271 /nfs/dbraw/zinc/68/02/71/556680271.db2.gz AMOGBGJHRBHSPG-CYBMUJFWSA-N 0 0 431.949 3.826 50 0 IHAARN Cc1nnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)cc(C)c4n3)n2)s1 ZINC000017879162 556680273 /nfs/dbraw/zinc/68/02/73/556680273.db2.gz KCQMYZPSDXDTJU-UHFFFAOYSA-N 0 0 425.543 3.834 50 0 IHAARN O=C(OCc1cn2cc(Cl)ccc2n1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097654836 556685964 /nfs/dbraw/zinc/68/59/64/556685964.db2.gz SCXDHCHARFZRHN-YBFXNURJSA-N 0 0 446.854 3.976 50 0 IHAARN CCc1nnc(C(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2)s1 ZINC000033022491 556687338 /nfs/dbraw/zinc/68/73/38/556687338.db2.gz NJEQHRDQDDWKNU-CYBMUJFWSA-N 0 0 438.509 3.615 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000018220149 556687659 /nfs/dbraw/zinc/68/76/59/556687659.db2.gz BLIOYRUWGJMEOB-QHCPKHFHSA-N 0 0 434.536 3.840 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4OCC)ccn3n2)cc1 ZINC000046005097 556688954 /nfs/dbraw/zinc/68/89/54/556688954.db2.gz KPOLVVMOYMLTBD-UHFFFAOYSA-N 0 0 432.480 3.599 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005424 556689629 /nfs/dbraw/zinc/68/96/29/556689629.db2.gz KPOZYCXJPBIAHZ-AWEZNQCLSA-N 0 0 439.878 3.880 50 0 IHAARN CN(C)C(=O)N[C@@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000000825911 556689945 /nfs/dbraw/zinc/68/99/45/556689945.db2.gz AYNSHXBSAGJWLW-SECBINFHSA-N 0 0 436.508 3.671 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCC(CC(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)CC2)[nH]1 ZINC000033024300 556694811 /nfs/dbraw/zinc/69/48/11/556694811.db2.gz NHXUYMYYIBIMEB-NRFANRHFSA-N 0 0 436.600 3.920 50 0 IHAARN O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024257378 556696525 /nfs/dbraw/zinc/69/65/25/556696525.db2.gz AYGFDGXLXXZGIY-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000137521334 556696933 /nfs/dbraw/zinc/69/69/33/556696933.db2.gz VZAFSPQRRKUHIT-YTFSRNRJSA-N 0 0 430.460 3.760 50 0 IHAARN COc1cc([C@@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253470717 556697576 /nfs/dbraw/zinc/69/75/76/556697576.db2.gz ATQORFOXGWUXRS-MRXNPFEDSA-N 0 0 441.411 3.691 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CCCC2)n3C)cc1 ZINC000033025848 556701714 /nfs/dbraw/zinc/70/17/14/556701714.db2.gz XQAQHLKMUZEXDP-UHFFFAOYSA-N 0 0 434.540 3.748 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2F)c1 ZINC000072318871 556709206 /nfs/dbraw/zinc/70/92/06/556709206.db2.gz FDZZKGAZXJDZJL-LLVKDONJSA-N 0 0 432.311 3.786 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Br)c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138564089 556719130 /nfs/dbraw/zinc/71/91/30/556719130.db2.gz OQJKGILEFIBHHE-RCCFBDPRSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2N2CCCN12 ZINC000138560959 556719160 /nfs/dbraw/zinc/71/91/60/556719160.db2.gz ZAUDIALSROPSAO-YQVWRLOYSA-N 0 0 432.307 3.538 50 0 IHAARN CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000060350878 556719613 /nfs/dbraw/zinc/71/96/13/556719613.db2.gz YHVWFBKCVFRSDD-FQEVSTJZSA-N 0 0 440.487 3.508 50 0 IHAARN CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)n2)cc1 ZINC000061718267 556724567 /nfs/dbraw/zinc/72/45/67/556724567.db2.gz PSPGJZOOZWJUFU-UHFFFAOYSA-N 0 0 426.567 3.996 50 0 IHAARN O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072328694 556726470 /nfs/dbraw/zinc/72/64/70/556726470.db2.gz QMCFZXBKPFRCBW-UHFFFAOYSA-N 0 0 429.293 3.941 50 0 IHAARN O=C(NCc1nc(Cc2ccccc2)no1)c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000061721192 556729609 /nfs/dbraw/zinc/72/96/09/556729609.db2.gz GWGZYJILIWEYIS-UHFFFAOYSA-N 0 0 444.278 3.871 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2)co1 ZINC000078873632 556735750 /nfs/dbraw/zinc/73/57/50/556735750.db2.gz QASXVXFNJBVEBN-UHFFFAOYSA-N 0 0 433.917 3.941 50 0 IHAARN Fc1ccc([C@@H]2NC3=NCN(CCc4ccccc4)CN3c3nc4ccccc4n32)cc1 ZINC000019320925 556736303 /nfs/dbraw/zinc/73/63/03/556736303.db2.gz PWPNBYQDZLLXGS-HSZRJFAPSA-N 0 0 426.499 3.961 50 0 IHAARN COc1ccc(Br)cc1C1N2CC3(C)CN1CC(c1ccccc1)(C2)C3=O ZINC000019330448 556736952 /nfs/dbraw/zinc/73/69/52/556736952.db2.gz YGTBPZMZKSOGHC-UHFFFAOYSA-N 0 0 427.342 3.615 50 0 IHAARN CSc1ncc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cn1 ZINC000055224981 556738275 /nfs/dbraw/zinc/73/82/75/556738275.db2.gz ZNBPMIWDWCMUAW-UHFFFAOYSA-N 0 0 426.586 3.868 50 0 IHAARN COc1cc(-c2nc(CN3CCN(c4ccccc4F)CC3)c(C)o2)cc2c1OCO2 ZINC000055244889 556738702 /nfs/dbraw/zinc/73/87/02/556738702.db2.gz IACIIPJSLQTMKT-UHFFFAOYSA-N 0 0 425.460 3.849 50 0 IHAARN Cc1ccc(C2(c3noc(CN(Cc4ccncc4)C[C@@H]4CCC(=O)N4)n3)CCCC2)cc1 ZINC000055343573 556740438 /nfs/dbraw/zinc/74/04/38/556740438.db2.gz OZTZLRLGDIVGCP-QFIPXVFZSA-N 0 0 445.567 3.914 50 0 IHAARN Cc1cccn2c(CN(C)Cc3cccnc3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055575304 556742468 /nfs/dbraw/zinc/74/24/68/556742468.db2.gz AEMUCGYKAVSHCF-UHFFFAOYSA-N 0 0 427.552 3.984 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)c1ccc(Cl)cc1)n2C ZINC000033048091 556743502 /nfs/dbraw/zinc/74/35/02/556743502.db2.gz AYNACSXHWOMDOR-UHFFFAOYSA-N 0 0 448.976 3.529 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(Cl)cc1 ZINC000057487112 556747831 /nfs/dbraw/zinc/74/78/31/556747831.db2.gz YUHQSAGORNBXBG-UHFFFAOYSA-N 0 0 436.855 3.904 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057486629 556747861 /nfs/dbraw/zinc/74/78/61/556747861.db2.gz CJRAEQOPNYAXNC-UHFFFAOYSA-N 0 0 449.461 3.832 50 0 IHAARN O=C(NCc1nc(Cc2ccccc2)no1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000057991268 556750947 /nfs/dbraw/zinc/75/09/47/556750947.db2.gz XOPNZWLFIIDLKM-UHFFFAOYSA-N 0 0 435.434 3.543 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000058017447 556754276 /nfs/dbraw/zinc/75/42/76/556754276.db2.gz QREZDNDUAFXPEP-HRAATJIYSA-N 0 0 440.521 3.526 50 0 IHAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)-c3ccccc3C4)c(=O)c21 ZINC000019431937 556755679 /nfs/dbraw/zinc/75/56/79/556755679.db2.gz JEPOFTKHFRIMHQ-UHFFFAOYSA-N 0 0 428.444 3.929 50 0 IHAARN CCc1c(C(=O)NC[C@@H](O)COc2cccc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000058112113 556758992 /nfs/dbraw/zinc/75/89/92/556758992.db2.gz HCABIHBXMUHALX-HXUWFJFHSA-N 0 0 433.483 3.897 50 0 IHAARN C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000058135813 556760514 /nfs/dbraw/zinc/76/05/14/556760514.db2.gz OJLQYPYTFMFMNS-SNVBAGLBSA-N 0 0 426.903 3.899 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058157755 556763292 /nfs/dbraw/zinc/76/32/92/556763292.db2.gz RPPWTWFKUGGZIG-UHFFFAOYSA-N 0 0 445.317 3.968 50 0 IHAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000058160577 556764718 /nfs/dbraw/zinc/76/47/18/556764718.db2.gz ISWFONOVBBYTPZ-UHFFFAOYSA-N 0 0 449.576 3.789 50 0 IHAARN COc1ccc(-c2nnc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000062007223 556765330 /nfs/dbraw/zinc/76/53/30/556765330.db2.gz UGXFSJWHPRVQST-UHFFFAOYSA-N 0 0 446.429 3.655 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3csc(Nc4cccnc4)n3)sc2c1 ZINC000062022581 556765928 /nfs/dbraw/zinc/76/59/28/556765928.db2.gz UKUVVFFEXFBDCX-UHFFFAOYSA-N 0 0 431.524 3.547 50 0 IHAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 ZINC000062022865 556766332 /nfs/dbraw/zinc/76/63/32/556766332.db2.gz ARXCAEXVBZAKGI-AWEZNQCLSA-N 0 0 446.433 3.545 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 ZINC000058166681 556766858 /nfs/dbraw/zinc/76/68/58/556766858.db2.gz OZSLEDUERNPDLR-UHFFFAOYSA-N 0 0 425.510 3.972 50 0 IHAARN CCC(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000058171497 556768302 /nfs/dbraw/zinc/76/83/02/556768302.db2.gz MVQHTIYFSQCARL-UHFFFAOYSA-N 0 0 434.496 3.519 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)Cc3csc(N4CCCC4=O)n3)c2cc1Cl ZINC000019476476 556768466 /nfs/dbraw/zinc/76/84/66/556768466.db2.gz OZHVOYAZLLJIBN-UHFFFAOYSA-N 0 0 432.885 3.624 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccncc3)cc2C[C@@H]1C ZINC000058218365 556772788 /nfs/dbraw/zinc/77/27/88/556772788.db2.gz BGAFWIIEVBXAND-IBGZPJMESA-N 0 0 449.576 3.813 50 0 IHAARN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000058225054 556773842 /nfs/dbraw/zinc/77/38/42/556773842.db2.gz LVYUNTPDTDPJFF-KRWDZBQOSA-N 0 0 427.508 3.501 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000058230461 556774062 /nfs/dbraw/zinc/77/40/62/556774062.db2.gz GLMHXUUSWYSUQK-UHFFFAOYSA-N 0 0 430.464 3.945 50 0 IHAARN CCOC(=O)Nc1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000058294846 556778076 /nfs/dbraw/zinc/77/80/76/556778076.db2.gz RUKPEOWCHAKMFY-INIZCTEOSA-N 0 0 441.406 3.835 50 0 IHAARN CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058313235 556780116 /nfs/dbraw/zinc/78/01/16/556780116.db2.gz UFCXLUFILHBZGB-KRWDZBQOSA-N 0 0 437.519 3.798 50 0 IHAARN O=C(NCc1ccccc1OC(F)F)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000058328346 556781206 /nfs/dbraw/zinc/78/12/06/556781206.db2.gz IUMJPARPTUDHLN-UHFFFAOYSA-N 0 0 439.484 3.784 50 0 IHAARN CC[C@@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C)N1CCOCC1 ZINC000058405248 556785873 /nfs/dbraw/zinc/78/58/73/556785873.db2.gz GGHXKRDKCXAJAU-CEYNDMKZSA-N 0 0 444.620 3.736 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@](C)(c4cccs4)C3=O)cc2)cc1 ZINC000058423657 556787685 /nfs/dbraw/zinc/78/76/85/556787685.db2.gz CBWDICSOLYCJMP-JOCHJYFZSA-N 0 0 440.546 3.857 50 0 IHAARN O=C1NC2(CCCCC2)C(=O)N1CCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000058572004 556790333 /nfs/dbraw/zinc/79/03/33/556790333.db2.gz MHBXHPWGTLGPGV-UHFFFAOYSA-N 0 0 440.500 3.588 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)Cc3ncc(-c4ccc(F)cc4)o3)no2)cc1 ZINC000058617777 556790525 /nfs/dbraw/zinc/79/05/25/556790525.db2.gz NZQKVQDGAXXXDG-UHFFFAOYSA-N 0 0 429.429 3.654 50 0 IHAARN Cc1csc([C@@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 ZINC000058820690 556792315 /nfs/dbraw/zinc/79/23/15/556792315.db2.gz CDNCBYVBOXVLNC-PBHICJAKSA-N 0 0 434.867 3.845 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1ccccc1Br ZINC000019533597 556793693 /nfs/dbraw/zinc/79/36/93/556793693.db2.gz LKYJYPNFVRLCHB-UHFFFAOYSA-N 0 0 445.361 3.558 50 0 IHAARN COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000002050312 556798395 /nfs/dbraw/zinc/79/83/95/556798395.db2.gz HLKMOTUBOBRWCM-LJQANCHMSA-N 0 0 437.443 3.807 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000059370098 556799059 /nfs/dbraw/zinc/79/90/59/556799059.db2.gz BMQPUKFNHSTVLQ-FQEVSTJZSA-N 0 0 449.576 3.687 50 0 IHAARN COc1cc(C(=O)NCCn2ccc3cc(Br)ccc32)cc(OC)c1OC ZINC000072400570 556799246 /nfs/dbraw/zinc/79/92/46/556799246.db2.gz BYMPRCSWHJGBNJ-UHFFFAOYSA-N 0 0 433.302 3.860 50 0 IHAARN CCOC(=O)c1csc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)n1 ZINC000072401321 556800147 /nfs/dbraw/zinc/80/01/47/556800147.db2.gz HGNPXHPEXXNLKY-UHFFFAOYSA-N 0 0 449.488 3.885 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CCC(=O)Nc1ccccc1F ZINC000059744922 556803906 /nfs/dbraw/zinc/80/39/06/556803906.db2.gz ALACSHVRSWJUBT-UHFFFAOYSA-N 0 0 435.908 3.917 50 0 IHAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000003322518 556810439 /nfs/dbraw/zinc/81/04/39/556810439.db2.gz VBVRCKBBFHXTBV-UHFFFAOYSA-N 0 0 449.459 3.739 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(CC(C)C)C(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000011203990 556811780 /nfs/dbraw/zinc/81/17/80/556811780.db2.gz FDWGXMQUBHATNY-SFHVURJKSA-N 0 0 429.502 3.691 50 0 IHAARN O=C(Cc1c(F)cccc1Cl)N1CCc2[nH]c3cc(-c4ccccc4)nn3c(=O)c2C1 ZINC000097942082 556812705 /nfs/dbraw/zinc/81/27/05/556812705.db2.gz HEGHENAWYWATDV-UHFFFAOYSA-N 0 0 436.874 3.610 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000011208971 556814133 /nfs/dbraw/zinc/81/41/33/556814133.db2.gz VZFUXCIACIEIPA-UHFFFAOYSA-N 0 0 439.537 3.960 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1F ZINC000097943884 556814918 /nfs/dbraw/zinc/81/49/18/556814918.db2.gz PWFSOOLIUGTREK-QFIPXVFZSA-N 0 0 429.879 3.514 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000033067859 556820074 /nfs/dbraw/zinc/82/00/74/556820074.db2.gz DELQZZFZQDPMHI-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN COc1cc(C(=O)Nc2cccnc2-n2cc(Br)cn2)ccc1OC(F)F ZINC000072403720 556826667 /nfs/dbraw/zinc/82/66/67/556826667.db2.gz PCRPGEOSTQMNIU-UHFFFAOYSA-N 0 0 439.216 3.892 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019597021 556830987 /nfs/dbraw/zinc/83/09/87/556830987.db2.gz QKNZYNUXHZUADG-UHFFFAOYSA-N 0 0 449.576 3.741 50 0 IHAARN Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3C2=O)cc1 ZINC000019624358 556831945 /nfs/dbraw/zinc/83/19/45/556831945.db2.gz OXZRYTMNFWBRLD-UHFFFAOYSA-N 0 0 439.515 3.754 50 0 IHAARN CCc1cc2c(nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(CC)c2=O)s1 ZINC000334160887 556837045 /nfs/dbraw/zinc/83/70/45/556837045.db2.gz OEHPISGRQJSSQN-UHFFFAOYSA-N 0 0 431.539 3.542 50 0 IHAARN C=C1c2ccccc2C(=O)N1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000062581993 556838121 /nfs/dbraw/zinc/83/81/21/556838121.db2.gz BAIKJVLRZVHKKE-UHFFFAOYSA-N 0 0 444.457 3.656 50 0 IHAARN O=C1NNC(=O)[C@@H]2[C@@H]1C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000096602744 556838402 /nfs/dbraw/zinc/83/84/02/556838402.db2.gz BSEQVLIOKBFFRT-DIOPXHOYSA-N 0 0 448.114 3.524 50 0 IHAARN FC(F)(F)Oc1cccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)c1 ZINC000072404847 556838436 /nfs/dbraw/zinc/83/84/36/556838436.db2.gz WGTNAGOQRPCXGS-UHFFFAOYSA-N 0 0 445.224 3.828 50 0 IHAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC000011211550 556842375 /nfs/dbraw/zinc/84/23/75/556842375.db2.gz QYTQNHDFDBEWAS-OAQYLSRUSA-N 0 0 435.549 3.708 50 0 IHAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC000011211577 556842379 /nfs/dbraw/zinc/84/23/79/556842379.db2.gz QYTQNHDFDBEWAS-NRFANRHFSA-N 0 0 435.549 3.708 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)ncn2)n1 ZINC000067604666 556844131 /nfs/dbraw/zinc/84/41/31/556844131.db2.gz HVDXEZOCPFXENT-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN CC[C@H](NC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000096833081 556846993 /nfs/dbraw/zinc/84/69/93/556846993.db2.gz WLGHYKPPLHSCAD-QHCPKHFHSA-N 0 0 429.992 3.912 50 0 IHAARN O=S(=O)(c1ccc(Nc2cccc(-c3nnc4n3CCCCC4)c2)nc1)N1CCCC1 ZINC000008826435 556849495 /nfs/dbraw/zinc/84/94/95/556849495.db2.gz KJPSUSDEHJDUMS-UHFFFAOYSA-N 0 0 438.557 3.595 50 0 IHAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(C)o2)CC1 ZINC000033069358 556850806 /nfs/dbraw/zinc/85/08/06/556850806.db2.gz IUUFQJYLAAUCAJ-UHFFFAOYSA-N 0 0 449.555 3.963 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000008879562 556851926 /nfs/dbraw/zinc/85/19/26/556851926.db2.gz JKCDUQKQKPKOSA-WTEVXDJOSA-N 0 0 447.922 3.785 50 0 biogenic IHAARN Cc1ccc(N2CCN(C(=O)c3cnc(N4CCOCC4)c4ccccc34)CC2)c(C)c1 ZINC000033073082 556852495 /nfs/dbraw/zinc/85/24/95/556852495.db2.gz GTKGHMIRDIXWKQ-UHFFFAOYSA-N 0 0 430.552 3.651 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4c(C)cccc4CC)CC3)c2c1 ZINC000033088035 556855813 /nfs/dbraw/zinc/85/58/13/556855813.db2.gz KGHJZCVCSUJDDE-UHFFFAOYSA-N 0 0 447.579 3.983 50 0 IHAARN CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087518 556857468 /nfs/dbraw/zinc/85/74/68/556857468.db2.gz CCXKEZTWMWWAQL-UHFFFAOYSA-N 0 0 430.555 3.596 50 0 IHAARN CCN1c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033088711 556857985 /nfs/dbraw/zinc/85/79/85/556857985.db2.gz RNKMXURTPCNXQM-UHFFFAOYSA-N 0 0 436.533 3.863 50 0 biogenic IHAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NCCC(C)C)C3)s2)cc1 ZINC000033113163 556859765 /nfs/dbraw/zinc/85/97/65/556859765.db2.gz GIBGKGVJMSIXGX-OAHLLOKOSA-N 0 0 431.562 3.734 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)s1 ZINC000033113187 556859856 /nfs/dbraw/zinc/85/98/56/556859856.db2.gz FGXUIYWSSOTEAU-CZUORRHYSA-N 0 0 449.964 3.512 50 0 IHAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)NCCc3ccccc3)C2)s1 ZINC000033113544 556860342 /nfs/dbraw/zinc/86/03/42/556860342.db2.gz YABBZPOQWOURSL-SFHVURJKSA-N 0 0 435.553 3.922 50 0 IHAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000033113868 556860725 /nfs/dbraw/zinc/86/07/25/556860725.db2.gz WPXHBDRTVSEXDA-INIZCTEOSA-N 0 0 433.508 3.701 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)NCc3ccco3)CC2)s1 ZINC000033114133 556860972 /nfs/dbraw/zinc/86/09/72/556860972.db2.gz AASHLUZRIAXQOM-UHFFFAOYSA-N 0 0 429.477 3.612 50 0 IHAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000033122659 556863675 /nfs/dbraw/zinc/86/36/75/556863675.db2.gz SQMRETJFUZCDGO-UHFFFAOYSA-N 0 0 437.949 3.632 50 0 IHAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000033122794 556863683 /nfs/dbraw/zinc/86/36/83/556863683.db2.gz IOWYPJAIVAVSRB-AWEZNQCLSA-N 0 0 438.465 3.621 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127998 556864814 /nfs/dbraw/zinc/86/48/14/556864814.db2.gz JBLRDEBDZFXOKS-OAQYLSRUSA-N 0 0 443.503 3.780 50 0 IHAARN COCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130052 556868439 /nfs/dbraw/zinc/86/84/39/556868439.db2.gz DXUVCHKUAPAYJH-UHFFFAOYSA-N 0 0 438.549 3.598 50 0 IHAARN Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NC3CCCC3)CC2)cc1 ZINC000033139741 556874889 /nfs/dbraw/zinc/87/48/89/556874889.db2.gz PRAXCFBALZPYLP-UHFFFAOYSA-N 0 0 432.572 3.677 50 0 IHAARN COc1ccc(CCNC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004690208 556881771 /nfs/dbraw/zinc/88/17/71/556881771.db2.gz RJXHKPZOYSUCSI-UHFFFAOYSA-N 0 0 428.573 3.618 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000033173300 556883231 /nfs/dbraw/zinc/88/32/31/556883231.db2.gz DGWFUXMKGZDHTQ-INIZCTEOSA-N 0 0 431.462 3.828 50 0 IHAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000033173385 556883292 /nfs/dbraw/zinc/88/32/92/556883292.db2.gz WJCUCMNVZKZTEQ-UHFFFAOYSA-N 0 0 440.399 3.876 50 0 IHAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(C(F)(F)F)cc4)o3)CC2=O)cc1 ZINC000033169783 556884923 /nfs/dbraw/zinc/88/49/23/556884923.db2.gz ZQEIKYOOOUIXRP-CYBMUJFWSA-N 0 0 446.385 3.870 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC4CCCCCCC4)n3)n2)cc1C ZINC000033170061 556885476 /nfs/dbraw/zinc/88/54/76/556885476.db2.gz PAANSYKOEZJWJK-UHFFFAOYSA-N 0 0 435.528 3.801 50 0 IHAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4Cl)c3)n2)cc1 ZINC000033170494 556885827 /nfs/dbraw/zinc/88/58/27/556885827.db2.gz RSVKHPDDJWEBPR-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN COc1c(I)cc(C(F)(F)F)cc1I ZINC000071793127 556888262 /nfs/dbraw/zinc/88/82/62/556888262.db2.gz XBMZQHBOGXDLDX-UHFFFAOYSA-N 0 0 427.929 3.923 50 0 IHAARN Cc1ccc(S(=O)(=O)n2cc(I)c3c2nccc3Cl)cc1 ZINC000071787965 556888347 /nfs/dbraw/zinc/88/83/47/556888347.db2.gz XCUCPOPYQXVOJN-UHFFFAOYSA-N 0 0 432.670 3.840 50 0 IHAARN CSCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccccc1 ZINC000004704042 556888513 /nfs/dbraw/zinc/88/85/13/556888513.db2.gz LEQVEKMKXOEAKE-GXYHREHHSA-N 0 0 429.582 3.867 50 0 IHAARN O=C(C1=CCCCC1)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000019744921 556891571 /nfs/dbraw/zinc/89/15/71/556891571.db2.gz KFHQRMXTNWZVIE-NRFANRHFSA-N 0 0 427.614 3.521 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033255398 556895056 /nfs/dbraw/zinc/89/50/56/556895056.db2.gz SNCJKQMIIQAENR-UHFFFAOYSA-N 0 0 440.569 3.802 50 0 IHAARN Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255971 556895234 /nfs/dbraw/zinc/89/52/34/556895234.db2.gz JEGBKUHQLZDEGL-UHFFFAOYSA-N 0 0 440.862 3.885 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nn2)nc1 ZINC000072140558 556899398 /nfs/dbraw/zinc/89/93/98/556899398.db2.gz UBVOXMQTXDILQG-UHFFFAOYSA-N 0 0 425.443 3.556 50 0 IHAARN O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000019831813 556927030 /nfs/dbraw/zinc/92/70/30/556927030.db2.gz VHNOBVBILMOHGV-QFIPXVFZSA-N 0 0 434.511 3.619 50 0 IHAARN COc1ccc(CN2CCN(Cc3cc(Br)ccc3OC)CC2)c(OC)c1 ZINC000019831969 556927045 /nfs/dbraw/zinc/92/70/45/556927045.db2.gz AMQLACMDMHPPAD-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN O=C(CCC1CCN(C(=O)C2(N3CCOCC3)CCCCC2)CC1)Nc1ccccc1 ZINC000019839051 556929069 /nfs/dbraw/zinc/92/90/69/556929069.db2.gz CKJXOZBGONGEGQ-UHFFFAOYSA-N 0 0 427.589 3.679 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019840636 556929358 /nfs/dbraw/zinc/92/93/58/556929358.db2.gz GIJBIGSRCDGFKP-AWEZNQCLSA-N 0 0 437.323 3.834 50 0 IHAARN S=C(Nc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019841139 556929831 /nfs/dbraw/zinc/92/98/31/556929831.db2.gz CEZSEZAOBJEAFR-UHFFFAOYSA-N 0 0 434.359 3.692 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 ZINC000019859903 556932428 /nfs/dbraw/zinc/93/24/28/556932428.db2.gz LSQZGMASBAWVRO-QGZVFWFLSA-N 0 0 434.945 3.723 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1CCCN1CCOCC1 ZINC000019882245 556937290 /nfs/dbraw/zinc/93/72/90/556937290.db2.gz BNTWMTBPYPZMJE-OAQYLSRUSA-N 0 0 438.911 3.714 50 0 IHAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c1 ZINC000019939653 556953185 /nfs/dbraw/zinc/95/31/85/556953185.db2.gz LZDBGKKTSDQKDB-SFHVURJKSA-N 0 0 436.581 3.611 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1cc(C)ccn1)C(F)(F)F ZINC000019944146 556954261 /nfs/dbraw/zinc/95/42/61/556954261.db2.gz IBGODQWFGQRTLC-MRXNPFEDSA-N 0 0 436.217 3.970 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccc(F)c4F)oc3C)CC2)cc1 ZINC000019953717 556954491 /nfs/dbraw/zinc/95/44/91/556954491.db2.gz TWYKULBWUAARSW-UHFFFAOYSA-N 0 0 427.451 3.895 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)C1 ZINC000033264524 556973951 /nfs/dbraw/zinc/97/39/51/556973951.db2.gz NBUCVGYUVUBVEA-FQEVSTJZSA-N 0 0 440.975 3.821 50 0 IHAARN COc1ccc(Oc2cc3c(cc2NC(=O)c2ccc(C)cc2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033265696 556976653 /nfs/dbraw/zinc/97/66/53/556976653.db2.gz UELICBLBUZOPMQ-UHFFFAOYSA-N 0 0 445.475 3.599 50 0 IHAARN O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000020094941 556979183 /nfs/dbraw/zinc/97/91/83/556979183.db2.gz RDGDIUWVSIEJRJ-UHFFFAOYSA-N 0 0 442.924 3.682 50 0 IHAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCCCC2)c1 ZINC000013468037 556979201 /nfs/dbraw/zinc/97/92/01/556979201.db2.gz KZDDHLKERHDGEN-UHFFFAOYSA-N 0 0 448.548 3.980 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020100633 556980032 /nfs/dbraw/zinc/98/00/32/556980032.db2.gz LICRWXOSNSCJNF-UHFFFAOYSA-N 0 0 426.460 3.886 50 0 IHAARN CCCCN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC)[C@@H](C)CC ZINC000023044107 556986363 /nfs/dbraw/zinc/98/63/63/556986363.db2.gz FRRMMODZLPECGY-HNNXBMFYSA-N 0 0 440.635 3.613 50 0 IHAARN COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000097105766 556987886 /nfs/dbraw/zinc/98/78/86/556987886.db2.gz BLORHAQFZSMJAX-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cc(Br)ccc2N1 ZINC000097101391 556988253 /nfs/dbraw/zinc/98/82/53/556988253.db2.gz BKAITWQEIJLRHG-UHFFFAOYSA-N 0 0 435.221 3.615 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000023074467 556995360 /nfs/dbraw/zinc/99/53/60/556995360.db2.gz HEJUUZVNIYTWJD-UHFFFAOYSA-N 0 0 428.290 3.724 50 0 IHAARN COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 ZINC000023079644 556996582 /nfs/dbraw/zinc/99/65/82/556996582.db2.gz VNTLPNSQORPHNU-MRXNPFEDSA-N 0 0 438.480 3.770 50 0 IHAARN CN(CCN1CCOCC1)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000020202861 556997911 /nfs/dbraw/zinc/99/79/11/556997911.db2.gz XBEVZQIASGEWGM-UHFFFAOYSA-N 0 0 433.430 3.918 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000011243620 556998425 /nfs/dbraw/zinc/99/84/25/556998425.db2.gz SVFAIJFBRFUMSB-CQSZACIVSA-N 0 0 425.437 3.732 50 0 IHAARN Cc1cc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)ccc1Cl ZINC000023114877 557005611 /nfs/dbraw/zinc/00/56/11/557005611.db2.gz UNLYHJWQLGLMRE-SFHVURJKSA-N 0 0 438.959 3.851 50 0 IHAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c(OC)c1 ZINC000020289858 557005698 /nfs/dbraw/zinc/00/56/98/557005698.db2.gz DQHHCPPJJRDDSA-UHFFFAOYSA-N 0 0 426.542 3.915 50 0 IHAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020307932 557006602 /nfs/dbraw/zinc/00/66/02/557006602.db2.gz OANXQTLIQIHFDQ-HSZRJFAPSA-N 0 0 446.547 3.968 50 0 IHAARN COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)cc4)c3=O)n2)cc1OC ZINC000023125865 557007703 /nfs/dbraw/zinc/00/77/03/557007703.db2.gz VHXLINUTHNJYSQ-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020323785 557007734 /nfs/dbraw/zinc/00/77/34/557007734.db2.gz WFFWZEBVVVJWJD-OAQYLSRUSA-N 0 0 439.512 3.916 50 0 IHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000020356804 557010770 /nfs/dbraw/zinc/01/07/70/557010770.db2.gz CNFKLKCNESNUBZ-SIFUEBAJSA-N 0 0 449.598 3.674 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccccc2)c(Cl)c1 ZINC000020357106 557011096 /nfs/dbraw/zinc/01/10/96/557011096.db2.gz JIHAJWPZAVBWEV-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN CCCSc1nc2sc3c(c2c(N2CCN(CCO)CC2)n1)C[C@@](C)(CC)OC3 ZINC000020358892 557011716 /nfs/dbraw/zinc/01/17/16/557011716.db2.gz DYLLJDRJXNDJSM-OAQYLSRUSA-N 0 0 436.647 3.549 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4ccc(F)c(Cl)c4)CC3)cc(=O)oc2c1 ZINC000020407833 557013793 /nfs/dbraw/zinc/01/37/93/557013793.db2.gz YCRGDLJDOVYBAU-UHFFFAOYSA-N 0 0 443.906 3.650 50 0 IHAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CCN(C)C3 ZINC000020436963 557016615 /nfs/dbraw/zinc/01/66/15/557016615.db2.gz KVYUXKOSQAIYBK-UHFFFAOYSA-N 0 0 431.974 3.848 50 0 IHAARN COc1cc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(OC)c1 ZINC000045992633 557018150 /nfs/dbraw/zinc/01/81/50/557018150.db2.gz JAKOPZZLJOKHJE-LLVKDONJSA-N 0 0 438.406 3.719 50 0 IHAARN CCOc1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(OC)c2)n1 ZINC000023138175 557018515 /nfs/dbraw/zinc/01/85/15/557018515.db2.gz MNHSYSAQYWCNJQ-UHFFFAOYSA-N 0 0 425.510 3.651 50 0 IHAARN CCc1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 ZINC000046004477 557019369 /nfs/dbraw/zinc/01/93/69/557019369.db2.gz AAYWPXSFYQMSNG-UHFFFAOYSA-N 0 0 432.590 3.512 50 0 IHAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(-c3nc(C(C)C)no3)c2)cc1 ZINC000046020308 557020897 /nfs/dbraw/zinc/02/08/97/557020897.db2.gz CMRMIJYSTFCQRB-UHFFFAOYSA-N 0 0 431.514 3.698 50 0 IHAARN COc1cccc(CSc2nc(C)c(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)[nH]2)c1 ZINC000023138565 557021768 /nfs/dbraw/zinc/02/17/68/557021768.db2.gz XMDMHBMMDMKZDN-UHFFFAOYSA-N 0 0 437.521 3.763 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)cc1 ZINC000023138701 557022058 /nfs/dbraw/zinc/02/20/58/557022058.db2.gz VPOQGFAYMIFXEQ-HNNXBMFYSA-N 0 0 437.521 3.899 50 0 IHAARN Cc1nc(S[C@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000023138658 557022128 /nfs/dbraw/zinc/02/21/28/557022128.db2.gz GCCDAXLRMNHDKJ-LJQANCHMSA-N 0 0 448.592 3.823 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000010737368 557022276 /nfs/dbraw/zinc/02/22/76/557022276.db2.gz OSWXYDPDTDUJEO-UHFFFAOYSA-N 0 0 448.548 3.884 50 0 IHAARN COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1 ZINC000023139583 557022367 /nfs/dbraw/zinc/02/23/67/557022367.db2.gz SPNYJVWSVCWNBZ-UHFFFAOYSA-N 0 0 436.537 3.516 50 0 IHAARN CCCCn1c2nc(CCC(=O)Nc3ccccc3Cl)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000010740895 557022426 /nfs/dbraw/zinc/02/24/26/557022426.db2.gz SGGLOONQQKLBHS-UHFFFAOYSA-N 0 0 445.951 3.567 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc(OC)c1 ZINC000032944013 557022672 /nfs/dbraw/zinc/02/26/72/557022672.db2.gz BXVIXPVQMXSXRK-ZDUSSCGKSA-N 0 0 448.566 3.742 50 0 IHAARN CCc1ccccc1NS(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C ZINC000046027410 557023278 /nfs/dbraw/zinc/02/32/78/557023278.db2.gz FOZKTYRKBHVKML-UHFFFAOYSA-N 0 0 437.565 3.998 50 0 IHAARN CCSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139414 557023931 /nfs/dbraw/zinc/02/39/31/557023931.db2.gz PVJRURYNPGAUCG-UHFFFAOYSA-N 0 0 442.566 3.904 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000010748492 557023960 /nfs/dbraw/zinc/02/39/60/557023960.db2.gz ZVVCGFNPWQUFIO-ZDNFIVBRSA-N 0 0 443.544 3.571 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)C2)cc1 ZINC000023142696 557025012 /nfs/dbraw/zinc/02/50/12/557025012.db2.gz BAUNVZYWFJIAEW-IBGZPJMESA-N 0 0 446.507 3.794 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010777241 557025686 /nfs/dbraw/zinc/02/56/86/557025686.db2.gz HDRXYLAWRZLDMH-HNNXBMFYSA-N 0 0 431.330 3.637 50 0 IHAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1ccc(O)cc1)CC(=O)N2 ZINC000046057068 557028625 /nfs/dbraw/zinc/02/86/25/557028625.db2.gz GIKGZBXSKCVZGN-INIZCTEOSA-N 0 0 426.270 3.958 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000046074342 557030723 /nfs/dbraw/zinc/03/07/23/557030723.db2.gz WARRHGSPGJCXMH-GOSISDBHSA-N 0 0 448.548 3.732 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000046074826 557031001 /nfs/dbraw/zinc/03/10/01/557031001.db2.gz OFBZTHXLJMSUPX-KRWDZBQOSA-N 0 0 448.548 3.998 50 0 IHAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000046074956 557031433 /nfs/dbraw/zinc/03/14/33/557031433.db2.gz ZSITWJUYHALNMR-GOSISDBHSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[nH]c(=O)c21 ZINC000046075243 557031461 /nfs/dbraw/zinc/03/14/61/557031461.db2.gz ZENUKFAPGYYCRL-CQSZACIVSA-N 0 0 438.484 3.574 50 0 IHAARN COc1ccc(OC)c(NC(=O)COC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1 ZINC000010836867 557033925 /nfs/dbraw/zinc/03/39/25/557033925.db2.gz PJFUUBMTDCTWSJ-UHFFFAOYSA-N 0 0 434.514 3.854 50 0 IHAARN Cc1cccc(C(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)n3C)c1 ZINC000046145706 557043962 /nfs/dbraw/zinc/04/39/62/557043962.db2.gz JGBKUFRYRDAKTR-UHFFFAOYSA-N 0 0 441.553 3.544 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1C ZINC000051357870 557045330 /nfs/dbraw/zinc/04/53/30/557045330.db2.gz RDRKGIKFAMHSNP-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN O=S1(=O)CCN(C[C@@H]2CCCO2)c2c(Oc3ccc(F)cc3)nc(F)c(Cl)c21 ZINC000024615053 557045710 /nfs/dbraw/zinc/04/57/10/557045710.db2.gz RPXJIMWAUOBBQY-ZDUSSCGKSA-N 0 0 430.860 3.578 50 0 IHAARN Cc1oc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1S(=O)(=O)N1CCCC1 ZINC000048234506 557045999 /nfs/dbraw/zinc/04/59/99/557045999.db2.gz FQLRYKFNCVBCHS-UHFFFAOYSA-N 0 0 445.472 3.951 50 0 IHAARN CSCC[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1nc2ccccc2[nH]1 ZINC000048248139 557048282 /nfs/dbraw/zinc/04/82/82/557048282.db2.gz UGPCUKCFQLNMQY-INIZCTEOSA-N 0 0 430.965 3.831 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)c1 ZINC000033271047 557048504 /nfs/dbraw/zinc/04/85/04/557048504.db2.gz BLJLVBNGQAZTEA-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN CCOc1ccc(CN2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CCO)cc1 ZINC000022926182 557048743 /nfs/dbraw/zinc/04/87/43/557048743.db2.gz MZYZDGJLUIEBJO-IBGZPJMESA-N 0 0 432.948 3.536 50 0 IHAARN COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1N1CCCCC1=O ZINC000048263913 557050627 /nfs/dbraw/zinc/05/06/27/557050627.db2.gz HGTAGHBGGWZWNA-UHFFFAOYSA-N 0 0 426.498 3.895 50 0 IHAARN CC(C)(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000048250073 557051581 /nfs/dbraw/zinc/05/15/81/557051581.db2.gz OIQOJTBKASBTOK-GOSISDBHSA-N 0 0 437.587 3.678 50 0 IHAARN CCC[C@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 ZINC000022933826 557051628 /nfs/dbraw/zinc/05/16/28/557051628.db2.gz OQYWRRNZSVGEQP-XXBNENTESA-N 0 0 427.564 3.998 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)CCc1ccccc1 ZINC000033273621 557052203 /nfs/dbraw/zinc/05/22/03/557052203.db2.gz VFNJCSBQCCAAMR-UHFFFAOYSA-N 0 0 432.524 3.606 50 0 IHAARN COc1ccc(OC2CCN(Cn3c4ccc(Br)cc4oc3=O)CC2)cc1 ZINC000048289167 557054553 /nfs/dbraw/zinc/05/45/53/557054553.db2.gz BFWZECNKSHALQH-UHFFFAOYSA-N 0 0 433.302 3.867 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)Nc1cccc(F)c1 ZINC000033277989 557058551 /nfs/dbraw/zinc/05/85/51/557058551.db2.gz OCHYPWSEOUJVGZ-UHFFFAOYSA-N 0 0 437.475 3.818 50 0 IHAARN CCCn1nc(C(=O)N(c2cnn(C)c2)[C@@H](C)c2cccc(OC)c2)c2ccccc2c1=O ZINC000048309224 557059580 /nfs/dbraw/zinc/05/95/80/557059580.db2.gz NXGGSGSXIZYGHZ-KRWDZBQOSA-N 0 0 445.523 3.957 50 0 IHAARN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CCC1 ZINC000033277551 557059561 /nfs/dbraw/zinc/05/95/61/557059561.db2.gz OGKZZPKPZSZJEF-UHFFFAOYSA-N 0 0 446.569 3.843 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(OC)cc(OC)c2)c3=O)cc1 ZINC000033277703 557059578 /nfs/dbraw/zinc/05/95/78/557059578.db2.gz FPOSOIKXUWPCJS-UHFFFAOYSA-N 0 0 448.479 3.660 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3cc(C)ccc3C)n(C)c(=O)c1n2C ZINC000033287646 557064913 /nfs/dbraw/zinc/06/49/13/557064913.db2.gz RBQGNLDELCRLMK-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN COc1ccc(CN(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C2CC2)cc1 ZINC000048323937 557064994 /nfs/dbraw/zinc/06/49/94/557064994.db2.gz LTECRXNRIGZXHD-UHFFFAOYSA-N 0 0 425.554 3.610 50 0 IHAARN COc1ccc(CCC(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000048325220 557065987 /nfs/dbraw/zinc/06/59/87/557065987.db2.gz ODZYQDZVYZRMBS-KDURUIRLSA-N 0 0 426.557 3.562 50 0 IHAARN Cc1cccc(OCCSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000023138384 557067214 /nfs/dbraw/zinc/06/72/14/557067214.db2.gz AOJOLBCWEHDXPQ-UHFFFAOYSA-N 0 0 439.581 3.598 50 0 IHAARN CC(=O)Nc1cccc(-n2c(S[C@H](C(N)=O)c3ccc(F)cc3)nnc2C2CC2)c1 ZINC000023139798 557067692 /nfs/dbraw/zinc/06/76/92/557067692.db2.gz PFBSPOBKDDYNDN-SFHVURJKSA-N 0 0 425.489 3.561 50 0 IHAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000048331584 557069068 /nfs/dbraw/zinc/06/90/68/557069068.db2.gz DOEBLNGEICYLEO-UHFFFAOYSA-N 0 0 435.496 3.670 50 0 IHAARN CCOc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)o3)CC2=O)cc1 ZINC000033291022 557069165 /nfs/dbraw/zinc/06/91/65/557069165.db2.gz NGEKAKWYLJREQU-CQSZACIVSA-N 0 0 426.860 3.895 50 0 IHAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)o3)CC2=O)cc1 ZINC000033291021 557069171 /nfs/dbraw/zinc/06/91/71/557069171.db2.gz NGEKAKWYLJREQU-AWEZNQCLSA-N 0 0 426.860 3.895 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1OC ZINC000033290864 557069212 /nfs/dbraw/zinc/06/92/12/557069212.db2.gz DAWLSWXDNCJPQO-CYBMUJFWSA-N 0 0 442.859 3.513 50 0 IHAARN CCOC(=O)c1ccc(N2C(=N)S/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)cc1 ZINC000033291476 557069474 /nfs/dbraw/zinc/06/94/74/557069474.db2.gz MFHWCNQQTBGTMX-BCGOONDLSA-N 0 0 442.493 3.945 50 0 IHAARN NC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 ZINC000048332324 557069810 /nfs/dbraw/zinc/06/98/10/557069810.db2.gz FNYPKUKKKMQLLV-UHFFFAOYSA-N 0 0 429.270 3.901 50 0 IHAARN CCOc1ccccc1-c1noc(CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)n1 ZINC000033292199 557070066 /nfs/dbraw/zinc/07/00/66/557070066.db2.gz HPIMGNPBWGZLLF-UHFFFAOYSA-N 0 0 446.492 3.850 50 0 IHAARN COc1cccc([C@H]2[C@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 ZINC000048342262 557070854 /nfs/dbraw/zinc/07/08/54/557070854.db2.gz GOJMGXOMMKGWMT-GOTSBHOMSA-N 0 0 444.959 3.792 50 0 IHAARN Cc1cc(-n2c(C)cc(/C=C/C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)no1 ZINC000023200071 557072940 /nfs/dbraw/zinc/07/29/40/557072940.db2.gz OPBPBLZVRMCIHB-YJJPMGAVSA-N 0 0 440.569 3.655 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4ccncc4)no3)c2C)c(C)o1 ZINC000033296960 557072928 /nfs/dbraw/zinc/07/29/28/557072928.db2.gz AVGNYGWEIWFOLJ-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN Cc1cc(-n2c(C)cc(/C=C/C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)no1 ZINC000023200068 557072992 /nfs/dbraw/zinc/07/29/92/557072992.db2.gz OPBPBLZVRMCIHB-ROUKRRSUSA-N 0 0 440.569 3.655 50 0 IHAARN Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000023236413 557075871 /nfs/dbraw/zinc/07/58/71/557075871.db2.gz PXSFIBZGPAJVLS-MRXNPFEDSA-N 0 0 436.537 3.510 50 0 IHAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000048373933 557076064 /nfs/dbraw/zinc/07/60/64/557076064.db2.gz GEXOQDRZQQLCSC-GOSISDBHSA-N 0 0 444.475 3.709 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000048374958 557076416 /nfs/dbraw/zinc/07/64/16/557076416.db2.gz MHCWFEQRTCURHY-UHFFFAOYSA-N 0 0 429.542 3.770 50 0 IHAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O)NCCc1ccc(Cl)cc1 ZINC000033300118 557078567 /nfs/dbraw/zinc/07/85/67/557078567.db2.gz FGGMDSHKPHOZQI-UHFFFAOYSA-N 0 0 442.903 3.671 50 0 IHAARN O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1cccc(Br)c1 ZINC000033300021 557078598 /nfs/dbraw/zinc/07/85/98/557078598.db2.gz QFSSVFLAPPKFON-UHFFFAOYSA-N 0 0 441.310 3.921 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000023257514 557079949 /nfs/dbraw/zinc/07/99/49/557079949.db2.gz UXGDXHGLGMPBEO-YCRPNKLZSA-N 0 0 439.025 3.613 50 0 IHAARN CC(=O)c1sc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nc1-c1ccccc1 ZINC000023269220 557081203 /nfs/dbraw/zinc/08/12/03/557081203.db2.gz GKIGEARKWQXCAZ-UHFFFAOYSA-N 0 0 440.525 3.548 50 0 IHAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)OCC(=O)Nc1cccc(OC)c1 ZINC000011301102 557081274 /nfs/dbraw/zinc/08/12/74/557081274.db2.gz TZLNZFMQXSYYIK-UHFFFAOYSA-N 0 0 436.493 3.984 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)cc1 ZINC000049002019 557081336 /nfs/dbraw/zinc/08/13/36/557081336.db2.gz NZCCIQSLUABKQI-UHFFFAOYSA-N 0 0 442.475 3.605 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 ZINC000033302473 557084022 /nfs/dbraw/zinc/08/40/22/557084022.db2.gz NNGBNKHCNHEYIE-KRWDZBQOSA-N 0 0 448.548 3.881 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(F)c(F)c2)c(=O)n3C(C)C)no1 ZINC000033306882 557084916 /nfs/dbraw/zinc/08/49/16/557084916.db2.gz NUCIHLOCTCNIPW-UHFFFAOYSA-N 0 0 427.411 3.659 50 0 IHAARN COc1cccc(CNS(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)c1 ZINC000033306447 557084919 /nfs/dbraw/zinc/08/49/19/557084919.db2.gz UJMODLDGHYWLLB-VQHVLOKHSA-N 0 0 447.538 3.660 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3C)no2)c1=O ZINC000049002591 557090411 /nfs/dbraw/zinc/09/04/11/557090411.db2.gz OZRPJSSTOLVGLQ-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2-c2cccnc2)cc1C ZINC000049003593 557091371 /nfs/dbraw/zinc/09/13/71/557091371.db2.gz UMRLTHDCJFRCEC-UHFFFAOYSA-N 0 0 427.464 3.970 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2ccncc2)cc1OC ZINC000049003530 557091447 /nfs/dbraw/zinc/09/14/47/557091447.db2.gz IPYWIUOVPDOUEX-UHFFFAOYSA-N 0 0 447.470 3.724 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)NCc2ccccc2Cl)c1=O ZINC000049004082 557092278 /nfs/dbraw/zinc/09/22/78/557092278.db2.gz VUOFOZKPOGWMDL-UHFFFAOYSA-N 0 0 426.929 3.901 50 0 IHAARN COc1ccc(CNC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)c(OC)c1 ZINC000033309570 557092317 /nfs/dbraw/zinc/09/23/17/557092317.db2.gz FJBAXSOTVDJJQQ-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310615 557094278 /nfs/dbraw/zinc/09/42/78/557094278.db2.gz LQMXCWMRFGGNRH-GOSISDBHSA-N 0 0 446.906 3.635 50 0 IHAARN CCn1c2ccc(C(=O)N(C)Cc3cc(Br)ccc3OC)cc2nc(C)c1=O ZINC000023497448 557094969 /nfs/dbraw/zinc/09/49/69/557094969.db2.gz CHINPQOTTWDUJN-UHFFFAOYSA-N 0 0 444.329 3.768 50 0 IHAARN Cc1ccc(CNC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)cc1C ZINC000033312888 557097640 /nfs/dbraw/zinc/09/76/40/557097640.db2.gz XMXOKTRKNHDQHC-SANMLTNESA-N 0 0 433.596 3.778 50 0 IHAARN NC(=O)c1ccc(C(F)(F)F)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O ZINC000010912527 557097834 /nfs/dbraw/zinc/09/78/34/557097834.db2.gz OVJYXCQLQUNOPU-UHFFFAOYSA-N 0 0 438.409 3.867 50 0 IHAARN CCNC(=O)[C@H](C)OC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000023553125 557098009 /nfs/dbraw/zinc/09/80/09/557098009.db2.gz QNSOCRMJQYWDGC-NSHDSACASA-N 0 0 438.431 3.696 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1Cl ZINC000010914477 557098444 /nfs/dbraw/zinc/09/84/44/557098444.db2.gz NLABTBNPRQSKDG-NEPJUHHUSA-N 0 0 448.306 3.582 50 0 IHAARN CCc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3C)C3=C2C(=O)OC3)cc1 ZINC000049403083 557098898 /nfs/dbraw/zinc/09/88/98/557098898.db2.gz SFFDEVYZTBNWDN-NRFANRHFSA-N 0 0 439.899 3.727 50 0 IHAARN C[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 ZINC000023565079 557098999 /nfs/dbraw/zinc/09/89/99/557098999.db2.gz YTMDZORGXRSVQK-VIFPVBQESA-N 0 0 425.297 3.734 50 0 IHAARN O=C(CSc1ccc(Br)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011341049 557100841 /nfs/dbraw/zinc/10/08/41/557100841.db2.gz ZOJXFYHSGLEHJP-MRXNPFEDSA-N 0 0 440.384 3.762 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc3ccccc32)c1 ZINC000011340904 557100880 /nfs/dbraw/zinc/10/08/80/557100880.db2.gz CRMSBNKWULQPBW-UHFFFAOYSA-N 0 0 446.912 3.539 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)[nH]n2)cc1 ZINC000049406686 557102103 /nfs/dbraw/zinc/10/21/03/557102103.db2.gz HEWQLEOVIVCCPH-UHFFFAOYSA-N 0 0 436.487 3.649 50 0 IHAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000049406808 557102122 /nfs/dbraw/zinc/10/21/22/557102122.db2.gz ZOKQXJLVHRDDPU-UHFFFAOYSA-N 0 0 438.915 3.773 50 0 IHAARN CCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408361 557103061 /nfs/dbraw/zinc/10/30/61/557103061.db2.gz UMYKSBMXDNFTLY-UHFFFAOYSA-N 0 0 426.473 3.663 50 0 IHAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(Cl)cc4)c(=O)n32)c1 ZINC000049410686 557105867 /nfs/dbraw/zinc/10/58/67/557105867.db2.gz RRXAPVHCPDOQCI-UHFFFAOYSA-N 0 0 436.903 3.852 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(C)c(F)c4)n3c2=O)cc1 ZINC000049410757 557106054 /nfs/dbraw/zinc/10/60/54/557106054.db2.gz AWCQAYZVLVKOQE-UHFFFAOYSA-N 0 0 434.475 3.592 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3cccc(Cl)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411439 557106453 /nfs/dbraw/zinc/10/64/53/557106453.db2.gz CPGZIXDZKMXEHF-UHFFFAOYSA-N 0 0 442.928 3.782 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)c(OC)c1 ZINC000023687915 557106996 /nfs/dbraw/zinc/10/69/96/557106996.db2.gz PMDDSZWBBMKLKL-UHFFFAOYSA-N 0 0 437.477 3.733 50 0 IHAARN O=C(NCc1cccnc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421209 557107750 /nfs/dbraw/zinc/10/77/50/557107750.db2.gz ZBYDWBXQADRCMG-GOSISDBHSA-N 0 0 445.548 3.579 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000023710310 557109365 /nfs/dbraw/zinc/10/93/65/557109365.db2.gz NTAWFZMQYAXSKG-UHFFFAOYSA-N 0 0 441.553 3.924 50 0 IHAARN COc1ccc2sc(OC3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2c1 ZINC000049432921 557110214 /nfs/dbraw/zinc/11/02/14/557110214.db2.gz VMGVNHMZOKQCHK-UHFFFAOYSA-N 0 0 435.509 3.569 50 0 IHAARN COc1ccc(N2c3c(sc(=O)n3C)[C@@H](c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000049544319 557110821 /nfs/dbraw/zinc/11/08/21/557110821.db2.gz FYSJOFWBNXWZPW-MRXNPFEDSA-N 0 0 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557114817 /nfs/dbraw/zinc/11/48/17/557114817.db2.gz RVHOKBYQFSRMRV-MRXNPFEDSA-N 0 0 427.451 3.876 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)cc2C1=O ZINC000023220550 557115400 /nfs/dbraw/zinc/11/54/00/557115400.db2.gz WKDZHNVQRGKBSF-UHFFFAOYSA-N 0 0 448.928 3.613 50 0 IHAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000023804864 557116796 /nfs/dbraw/zinc/11/67/96/557116796.db2.gz LZVYKUBESLKUJW-UHFFFAOYSA-N 0 0 427.570 3.977 50 0 IHAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000023805787 557117456 /nfs/dbraw/zinc/11/74/56/557117456.db2.gz GJHJTKWECXWNHL-OAQYLSRUSA-N 0 0 426.582 3.720 50 0 IHAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000023233093 557119885 /nfs/dbraw/zinc/11/98/85/557119885.db2.gz UAXPDMCXUHACHQ-UHFFFAOYSA-N 0 0 444.340 3.540 50 0 IHAARN CCCc1c(C)c2ccc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc2oc1=O ZINC000000627463 557122259 /nfs/dbraw/zinc/12/22/59/557122259.db2.gz KFTLLOXJMPLXSR-UHFFFAOYSA-N 0 0 443.521 3.636 50 0 IHAARN Cc1sc2[nH]c(CN3CCN(C(=O)c4ccco4)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023936605 557126550 /nfs/dbraw/zinc/12/65/50/557126550.db2.gz PLQVDAIKMYHZGS-UHFFFAOYSA-N 0 0 448.548 3.819 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCOCC2)cc1 ZINC000023956250 557127705 /nfs/dbraw/zinc/12/77/05/557127705.db2.gz QLRCCAHHVQTAQG-GOSISDBHSA-N 0 0 443.594 3.992 50 0 IHAARN CCn1nnc2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000023967763 557128019 /nfs/dbraw/zinc/12/80/19/557128019.db2.gz HYQIZUHTHGIEBH-UHFFFAOYSA-N 0 0 425.536 3.999 50 0 IHAARN CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1 ZINC000200552794 557134739 /nfs/dbraw/zinc/13/47/39/557134739.db2.gz AWNXKZVIZARMME-UHFFFAOYSA-N 0 0 425.924 3.861 50 0 in-vitro IHAARN O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(Br)cc1 ZINC000024085386 557135846 /nfs/dbraw/zinc/13/58/46/557135846.db2.gz KWNXKHGQJVBBFS-OAHLLOKOSA-N 0 0 434.311 3.551 50 0 IHAARN C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2ccccc2)cc1 ZINC000206702512 557136213 /nfs/dbraw/zinc/13/62/13/557136213.db2.gz VLYWYMAXKIMJQE-QHCPKHFHSA-N 0 0 445.487 3.987 50 0 IHAARN COc1ccc(OC[C@@H](O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 ZINC000024089978 557136185 /nfs/dbraw/zinc/13/61/85/557136185.db2.gz GODQYGZAUTZNCG-MRXNPFEDSA-N 0 0 440.546 3.988 50 0 IHAARN Cc1c(C(=O)NCc2ccc(-n3cncn3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000060827883 557136254 /nfs/dbraw/zinc/13/62/54/557136254.db2.gz IZTDTKBFCDXVPX-UHFFFAOYSA-N 0 0 426.402 3.710 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1CCCN1CCOCC1 ZINC000024099756 557136949 /nfs/dbraw/zinc/13/69/49/557136949.db2.gz XDXLIJAMBYNUTK-GOSISDBHSA-N 0 0 436.375 3.799 50 0 IHAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000000696899 557137420 /nfs/dbraw/zinc/13/74/20/557137420.db2.gz HWPNZLRPQOJPLW-UHFFFAOYSA-N 0 0 444.447 3.933 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024226258 557141740 /nfs/dbraw/zinc/14/17/40/557141740.db2.gz TWPMAHYPZZBLQL-QFIPXVFZSA-N 0 0 440.494 3.623 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000024231560 557141754 /nfs/dbraw/zinc/14/17/54/557141754.db2.gz MBLJMFLIBSKYAN-CEMLEFRQSA-N 0 0 446.613 3.765 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000024231548 557141785 /nfs/dbraw/zinc/14/17/85/557141785.db2.gz MBLJMFLIBSKYAN-KSEOMHKRSA-N 0 0 446.613 3.765 50 0 IHAARN O=C(CN1CCC(O)CC1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 ZINC000024227328 557141807 /nfs/dbraw/zinc/14/18/07/557141807.db2.gz YDMOLGHHYMTAAX-UHFFFAOYSA-N 0 0 430.552 3.813 50 0 IHAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)C1=O ZINC000024277800 557142950 /nfs/dbraw/zinc/14/29/50/557142950.db2.gz PCEAAAHNZWMTKB-XUZZJYLKSA-N 0 0 437.565 3.553 50 0 IHAARN O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1cccc(I)c1 ZINC000010942273 557144510 /nfs/dbraw/zinc/14/45/10/557144510.db2.gz OOXNWLOQJCZULV-UHFFFAOYSA-N 0 0 435.265 3.690 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccc(CCOC)cc2)cs1 ZINC000011432706 557147342 /nfs/dbraw/zinc/14/73/42/557147342.db2.gz DKAZURYXDYNOQL-UHFFFAOYSA-N 0 0 439.537 3.766 50 0 IHAARN Cc1cc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1C(C)C ZINC000011449681 557148699 /nfs/dbraw/zinc/14/86/99/557148699.db2.gz NFYMLSUVNNDOPY-UHFFFAOYSA-N 0 0 436.599 3.528 50 0 IHAARN COc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)ccc1N1CCCC1=O ZINC000011445819 557148741 /nfs/dbraw/zinc/14/87/41/557148741.db2.gz ZISIEPOODKWBOI-NRFANRHFSA-N 0 0 443.931 3.869 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450682 557149444 /nfs/dbraw/zinc/14/94/44/557149444.db2.gz BTJYIKFURNNMCD-UHFFFAOYSA-N 0 0 442.990 3.528 50 0 IHAARN CSc1ccc(Cl)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000011450757 557149498 /nfs/dbraw/zinc/14/94/98/557149498.db2.gz WEGVHLNVIFYETG-UHFFFAOYSA-N 0 0 431.004 3.707 50 0 IHAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000024512272 557149707 /nfs/dbraw/zinc/14/97/07/557149707.db2.gz FKBWEAXXOSCJFE-UHFFFAOYSA-N 0 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ZINC000024670790 557158287 /nfs/dbraw/zinc/15/82/87/557158287.db2.gz BGDGDQMSIBXCBM-QFIPXVFZSA-N 0 0 433.483 3.784 50 0 IHAARN CCc1c(C)sc2nc(S[C@@H](C)C(=O)NC(=O)NC)n(-c3cccc(C)c3)c(=O)c12 ZINC000011521905 557159247 /nfs/dbraw/zinc/15/92/47/557159247.db2.gz ZXPBFRLBXQXCTG-ZDUSSCGKSA-N 0 0 444.582 3.563 50 0 IHAARN CCCCCSc1nc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2s1 ZINC000072295399 557162706 /nfs/dbraw/zinc/16/27/06/557162706.db2.gz RHKLFGCMZDDTCX-UHFFFAOYSA-N 0 0 442.570 3.661 50 0 IHAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 ZINC000206802036 557165129 /nfs/dbraw/zinc/16/51/29/557165129.db2.gz AWMDUYGDMAUUFU-BBRMVZONSA-N 0 0 446.525 3.749 50 0 IHAARN CCSc1nnc(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)s1 ZINC000024765963 557165196 /nfs/dbraw/zinc/16/51/96/557165196.db2.gz DDDQKJFXEQWCIR-UHFFFAOYSA-N 0 0 425.601 3.992 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)n1CCc1cccs1 ZINC000024834718 557166396 /nfs/dbraw/zinc/16/63/96/557166396.db2.gz ZYNJSOKXPBEFQB-UHFFFAOYSA-N 0 0 445.562 3.852 50 0 IHAARN O=C(NCc1cccnc1-n1cccn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000024792934 557168067 /nfs/dbraw/zinc/16/80/67/557168067.db2.gz SVUAUHZHZXBJOA-UHFFFAOYSA-N 0 0 445.483 3.646 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000024808734 557168447 /nfs/dbraw/zinc/16/84/47/557168447.db2.gz YLZHKBWWIKLMTL-LRTDBIEQSA-N 0 0 449.338 3.533 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1C ZINC000024824566 557169016 /nfs/dbraw/zinc/16/90/16/557169016.db2.gz JCNJRBYWLWWNNK-UHFFFAOYSA-N 0 0 448.523 3.651 50 0 IHAARN O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000008809526 557171326 /nfs/dbraw/zinc/17/13/26/557171326.db2.gz PGYDVKROFXKXTR-CYBMUJFWSA-N 0 0 433.748 3.991 50 0 IHAARN O=C(CCc1nc(-c2ccccc2)no1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024864584 557172237 /nfs/dbraw/zinc/17/22/37/557172237.db2.gz MMJLSDBGLXPLSF-UHFFFAOYSA-N 0 0 432.461 3.635 50 0 IHAARN O=C(COc1ccc(Br)cc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000024868749 557173933 /nfs/dbraw/zinc/17/39/33/557173933.db2.gz OFXITXHGIYFVEF-AWEZNQCLSA-N 0 0 435.293 3.844 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3NS(C)(=O)=O)cs2)cc1 ZINC000024892451 557177292 /nfs/dbraw/zinc/17/72/92/557177292.db2.gz VYTDUCGEFJDQBX-UHFFFAOYSA-N 0 0 431.539 3.583 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 ZINC000024923699 557178972 /nfs/dbraw/zinc/17/89/72/557178972.db2.gz URNUMYTWKNWOBV-HOTGVXAUSA-N 0 0 440.540 3.640 50 0 IHAARN O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)N1CCCCC1 ZINC000000786419 557183096 /nfs/dbraw/zinc/18/30/96/557183096.db2.gz PDBHGWIYXOXOHR-UHFFFAOYSA-N 0 0 448.610 3.703 50 0 IHAARN C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000024971549 557184039 /nfs/dbraw/zinc/18/40/39/557184039.db2.gz ZIQNBYZDXUEAFO-MRXNPFEDSA-N 0 0 433.512 3.517 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 ZINC000009263850 557185192 /nfs/dbraw/zinc/18/51/92/557185192.db2.gz WBZAGJLDOGIDPE-UHFFFAOYSA-N 0 0 439.541 3.700 50 0 IHAARN Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n(C)c21 ZINC000100821271 557187821 /nfs/dbraw/zinc/18/78/21/557187821.db2.gz PMYNTDPDDUDLRM-RTDLDRDPSA-N 0 0 443.594 3.710 50 0 IHAARN CC(C)Cn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1N1CCOCC1 ZINC000069930183 557189677 /nfs/dbraw/zinc/18/96/77/557189677.db2.gz PUHGRVKDLPXFRF-UHFFFAOYSA-N 0 0 443.617 3.689 50 0 IHAARN COc1cccc(C(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1 ZINC000009582683 557190360 /nfs/dbraw/zinc/19/03/60/557190360.db2.gz NQJFBXNAZRKBCS-UHFFFAOYSA-N 0 0 444.944 3.942 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000009541026 557190397 /nfs/dbraw/zinc/19/03/97/557190397.db2.gz JFJAVTHJVCKYLQ-INIZCTEOSA-N 0 0 429.590 3.717 50 0 IHAARN O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000100848381 557191633 /nfs/dbraw/zinc/19/16/33/557191633.db2.gz SSAHOWUXRDKWJH-SQWLQELKSA-N 0 0 444.921 3.591 50 0 IHAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](c3nccn3C)c3cccc(F)c3)c12 ZINC000025053375 557191664 /nfs/dbraw/zinc/19/16/64/557191664.db2.gz WPGFNPZBIZVITP-NRFANRHFSA-N 0 0 444.470 3.929 50 0 IHAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1cc(Cl)sc1Cl ZINC000100877063 557195317 /nfs/dbraw/zinc/19/53/17/557195317.db2.gz ZLURVVQDBIKIJO-MNDPQUGUSA-N 0 0 431.322 3.994 50 0 IHAARN CCCCOc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NO[C@@H]3C2=O)cc1 ZINC000100872747 557195658 /nfs/dbraw/zinc/19/56/58/557195658.db2.gz JMUHLGHJSMADLW-MJGOQNOKSA-N 0 0 443.297 3.921 50 0 IHAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100873062 557195904 /nfs/dbraw/zinc/19/59/04/557195904.db2.gz DKZAVWHCDBXDKI-QOCHGBHMSA-N 0 0 448.342 3.811 50 0 IHAARN COC(=O)c1ccoc1CSc1nnc(N2CCCCC2)n1-c1ccccc1OC ZINC000025143491 557196526 /nfs/dbraw/zinc/19/65/26/557196526.db2.gz GSZCGSFGMUIFTN-UHFFFAOYSA-N 0 0 428.514 3.938 50 0 IHAARN CCCCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 ZINC000025264530 557201761 /nfs/dbraw/zinc/20/17/61/557201761.db2.gz OEAUXYQYVWLPHN-HSZRJFAPSA-N 0 0 435.576 3.592 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000100944670 557203455 /nfs/dbraw/zinc/20/34/55/557203455.db2.gz JFHAEWIPSDQMRS-HXUWFJFHSA-N 0 0 427.526 3.502 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000025378841 557206263 /nfs/dbraw/zinc/20/62/63/557206263.db2.gz NNYXBZWGXUHYAL-CQSZACIVSA-N 0 0 433.555 3.925 50 0 IHAARN CC(=O)c1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000169621119 557208605 /nfs/dbraw/zinc/20/86/05/557208605.db2.gz UAGVTSOSWGDITM-QHCPKHFHSA-N 0 0 426.476 3.851 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000100977244 557210008 /nfs/dbraw/zinc/21/00/08/557210008.db2.gz QVKLBFGOEMTFQC-ZLNRFVROSA-N 0 0 430.460 3.760 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nnc(-c2ccccc2)o1)CC3 ZINC000025453750 557210456 /nfs/dbraw/zinc/21/04/56/557210456.db2.gz KJMCCDWDSFGSMU-UHFFFAOYSA-N 0 0 430.464 3.522 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(Br)s1 ZINC000025474255 557211861 /nfs/dbraw/zinc/21/18/61/557211861.db2.gz XNQFFXJBGSRDJY-UHFFFAOYSA-N 0 0 429.645 3.661 50 0 IHAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)c1 ZINC000011617401 557213003 /nfs/dbraw/zinc/21/30/03/557213003.db2.gz IQPKJAGPLGDOEN-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101025969 557214504 /nfs/dbraw/zinc/21/45/04/557214504.db2.gz UELMKLYKBHWQJF-ZLNRFVROSA-N 0 0 430.460 3.760 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011650051 557219435 /nfs/dbraw/zinc/21/94/35/557219435.db2.gz SBFJPHSETADAKT-INIZCTEOSA-N 0 0 445.285 3.519 50 0 IHAARN CC(=O)c1ccc(N2CCN(Cc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)CC2)cc1 ZINC000025765403 557225191 /nfs/dbraw/zinc/22/51/91/557225191.db2.gz FACYSLVRQVYMQN-UHFFFAOYSA-N 0 0 430.430 3.879 50 0 IHAARN Cc1ccc(-c2cc(C(=O)OCC(=O)NCCc3ccc(OC(F)F)cc3)n[nH]2)cc1 ZINC000011494541 557229524 /nfs/dbraw/zinc/22/95/24/557229524.db2.gz NJSQICPEJUUOAA-UHFFFAOYSA-N 0 0 429.423 3.502 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000011528006 557229749 /nfs/dbraw/zinc/22/97/49/557229749.db2.gz ZKSKRFYDORXBHK-PBHICJAKSA-N 0 0 437.993 3.873 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4ccsc4)n3)CC2)cc1 ZINC000025917135 557230095 /nfs/dbraw/zinc/23/00/95/557230095.db2.gz ALHWHOSHMDNMLD-UHFFFAOYSA-N 0 0 447.607 3.717 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018033897 557230376 /nfs/dbraw/zinc/23/03/76/557230376.db2.gz JHOANXJVAKMHAI-ZRBLBEILSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)cc1 ZINC000072303316 557230426 /nfs/dbraw/zinc/23/04/26/557230426.db2.gz LNIRKGOQIGTSCS-YPAWHYETSA-N 0 0 429.520 3.856 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000025956352 557230935 /nfs/dbraw/zinc/23/09/35/557230935.db2.gz CACFMTIMCKDEGP-BWKNWUBXSA-N 0 0 446.576 3.952 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccccc3NC(=O)Cc3ccccc3)cc(=O)n12 ZINC000026004799 557231798 /nfs/dbraw/zinc/23/17/98/557231798.db2.gz WNHAWRZZJAJTTC-UHFFFAOYSA-N 0 0 433.489 3.603 50 0 IHAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4c(OC)cccc4OC)c3)cn2n1 ZINC000011693453 557232462 /nfs/dbraw/zinc/23/24/62/557232462.db2.gz QMXAANNSQIFIFM-UHFFFAOYSA-N 0 0 434.452 3.683 50 0 IHAARN CN(Cc1nccn1C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000018060215 557234037 /nfs/dbraw/zinc/23/40/37/557234037.db2.gz BJPBQEVKPLCGAQ-UHFFFAOYSA-N 0 0 440.598 3.622 50 0 IHAARN CNC(=O)c1ccc(CN(C(=O)c2cc(C)nc3c2nc2n3CCCCC2)C2CC2)cc1 ZINC000026123525 557235582 /nfs/dbraw/zinc/23/55/82/557235582.db2.gz GMMBSMSYIJZAEM-UHFFFAOYSA-N 0 0 431.540 3.631 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(Br)o4)CC3)n[nH]2)cc1 ZINC000098212753 557235725 /nfs/dbraw/zinc/23/57/25/557235725.db2.gz CBEWOKZSWYNOHP-UHFFFAOYSA-N 0 0 445.317 3.840 50 0 IHAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2cnccn2)CC1 ZINC000026148859 557236353 /nfs/dbraw/zinc/23/63/53/557236353.db2.gz WZVRWYNLOJVMQR-LJQANCHMSA-N 0 0 432.553 3.683 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000018099437 557236699 /nfs/dbraw/zinc/23/66/99/557236699.db2.gz FKYHBPDMPKAHGR-UHFFFAOYSA-N 0 0 434.521 3.646 50 0 IHAARN O=C(NCCc1nccn1Cc1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000026216923 557237360 /nfs/dbraw/zinc/23/73/60/557237360.db2.gz SQSZSXRJYNBQFM-UHFFFAOYSA-N 0 0 436.519 3.697 50 0 IHAARN O=C(NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)Nc1cccc(Cl)c1 ZINC000583649508 557240382 /nfs/dbraw/zinc/24/03/82/557240382.db2.gz PRMMEHVRQVBWSA-AWEZNQCLSA-N 0 0 443.866 3.700 50 0 IHAARN O=C1C[C@H](N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100129807 557241942 /nfs/dbraw/zinc/24/19/42/557241942.db2.gz UYOGDSACQAGFGL-IBGZPJMESA-N 0 0 436.314 3.582 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cncn2)cc1 ZINC000018159557 557243887 /nfs/dbraw/zinc/24/38/87/557243887.db2.gz JETYYIYNBQBDNG-CYBMUJFWSA-N 0 0 439.928 3.743 50 0 IHAARN CCCNc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 ZINC000026618046 557245575 /nfs/dbraw/zinc/24/55/75/557245575.db2.gz BZRHKDHHRXSFNE-OAHLLOKOSA-N 0 0 434.587 3.977 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000026767742 557247821 /nfs/dbraw/zinc/24/78/21/557247821.db2.gz FMHIFYORQNMIPW-OAHLLOKOSA-N 0 0 429.567 3.978 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000026796717 557249157 /nfs/dbraw/zinc/24/91/57/557249157.db2.gz OWHGDFRCDFHYND-RDTXWAMCSA-N 0 0 427.476 3.914 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000018220957 557252273 /nfs/dbraw/zinc/25/22/73/557252273.db2.gz JISRKVSUBGMFMG-UHFFFAOYSA-N 0 0 445.515 3.964 50 0 IHAARN CCCCCn1c(CCC(=O)N[C@@H]2CCCC[C@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000026978692 557253139 /nfs/dbraw/zinc/25/31/39/557253139.db2.gz UTEGXHZKUTWGQM-QZTJIDSGSA-N 0 0 445.608 3.504 50 0 IHAARN COc1cccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2ccccc2OC)c1 ZINC000101113920 557256362 /nfs/dbraw/zinc/25/63/62/557256362.db2.gz LCXUJEIZRIMZKW-HPNDGRJYSA-N 0 0 430.464 3.528 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)c1C ZINC000101160909 557257389 /nfs/dbraw/zinc/25/73/89/557257389.db2.gz LAICHFGQFGCDCX-UHFFFAOYSA-N 0 0 438.553 3.915 50 0 IHAARN CCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccncc1 ZINC000027606269 557267591 /nfs/dbraw/zinc/26/75/91/557267591.db2.gz GAJZVXPFEXZCFQ-UHFFFAOYSA-N 0 0 445.519 3.658 50 0 IHAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1 ZINC000100659474 557268823 /nfs/dbraw/zinc/26/88/23/557268823.db2.gz CPEZEKKRZZXPJI-AEFFLSMTSA-N 0 0 448.449 3.569 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cc(C)on2)CC1 ZINC000022928424 557271670 /nfs/dbraw/zinc/27/16/70/557271670.db2.gz UHSAXDLKOXFCLZ-XMMPIXPASA-N 0 0 434.540 3.798 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)cc1Cl ZINC000027742615 557272329 /nfs/dbraw/zinc/27/23/29/557272329.db2.gz RJQZAQLUGTZPHB-UHFFFAOYSA-N 0 0 437.930 3.735 50 0 IHAARN O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027745967 557272551 /nfs/dbraw/zinc/27/25/51/557272551.db2.gz XCXDTLZWDYHKME-MRXNPFEDSA-N 0 0 446.327 3.727 50 0 IHAARN CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 ZINC000027794759 557274757 /nfs/dbraw/zinc/27/47/57/557274757.db2.gz DXLZCEAFWJBRJE-UHFFFAOYSA-N 0 0 434.315 3.828 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101403760 557281416 /nfs/dbraw/zinc/28/14/16/557281416.db2.gz WZUOKAMVLLRRDP-YQQAZPJKSA-N 0 0 443.396 3.907 50 0 IHAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031039487 557281415 /nfs/dbraw/zinc/28/14/15/557281415.db2.gz JIUHDDDXTAMCRA-UHFFFAOYSA-N 0 0 429.423 3.566 50 0 IHAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1Cl ZINC000011665755 557291007 /nfs/dbraw/zinc/29/10/07/557291007.db2.gz YRWNOTFXDXOZCJ-UHFFFAOYSA-N 0 0 434.670 3.926 50 0 IHAARN CC(C)[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101800210 557298815 /nfs/dbraw/zinc/29/88/15/557298815.db2.gz MWXMWHXFDBTRDD-HXUWFJFHSA-N 0 0 433.961 3.543 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C2CCCCC2)c1C ZINC000014085438 557300255 /nfs/dbraw/zinc/30/02/55/557300255.db2.gz KDRJWNOXFZETGM-OAHLLOKOSA-N 0 0 436.603 3.772 50 0 IHAARN CCOc1ccccc1NC(=O)CN1c2ncccc2N=C(c2cccc(OC)c2)CC1=O ZINC000101881805 557305701 /nfs/dbraw/zinc/30/57/01/557305701.db2.gz ZRXAOHSNJFABMG-UHFFFAOYSA-N 0 0 444.491 3.985 50 0 IHAARN COc1cc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2ccc(C)s2)c(OC)cc1Cl ZINC000220976459 557312830 /nfs/dbraw/zinc/31/28/30/557312830.db2.gz DUWCUYSWSYIJHP-GOSISDBHSA-N 0 0 445.932 3.899 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000014180275 557313961 /nfs/dbraw/zinc/31/39/61/557313961.db2.gz AUGUSSNAXUWXDX-UHFFFAOYSA-N 0 0 443.459 3.694 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(F)cc1 ZINC000102255696 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3.782 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000014227404 557325532 /nfs/dbraw/zinc/32/55/32/557325532.db2.gz VAMWUCSSTHRYMO-UHFFFAOYSA-N 0 0 443.425 3.686 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc32)c(C)c1 ZINC000014228010 557326828 /nfs/dbraw/zinc/32/68/28/557326828.db2.gz BXWIXRTXEMKGPZ-IBGZPJMESA-N 0 0 431.536 3.567 50 0 IHAARN CC(C)NC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2F)c1 ZINC000033264989 557328289 /nfs/dbraw/zinc/32/82/89/557328289.db2.gz PFFKIZXWYILADV-UHFFFAOYSA-N 0 0 426.517 3.558 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000024563764 557329439 /nfs/dbraw/zinc/32/94/39/557329439.db2.gz IIOWVAJTTCPALO-UHFFFAOYSA-N 0 0 429.471 3.698 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312819 557332648 /nfs/dbraw/zinc/33/26/48/557332648.db2.gz ZKCQRLSUIHEEBV-HSZRJFAPSA-N 0 0 441.959 3.899 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1 ZINC000023336813 557349105 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CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000102864761 557403913 /nfs/dbraw/zinc/40/39/13/557403913.db2.gz HSENALUPARAQJF-FUSWZUCDSA-N 0 0 426.594 3.716 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1 ZINC000033530538 557408183 /nfs/dbraw/zinc/40/81/83/557408183.db2.gz XCBDKUQLMWHYBE-SANMLTNESA-N 0 0 446.547 3.931 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000103142301 557423251 /nfs/dbraw/zinc/42/32/51/557423251.db2.gz FYFHXTJHRWZTQY-XYJFISCASA-N 0 0 429.590 3.576 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000103414085 557436504 /nfs/dbraw/zinc/43/65/04/557436504.db2.gz KJRMECBDBVHDDI-DHIUTWEWSA-N 0 0 433.552 3.738 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(C(=O)OC)ccc3F)cc2)c1C ZINC000024575795 557459879 /nfs/dbraw/zinc/45/98/79/557459879.db2.gz DQAJAJJWGDAOSD-UHFFFAOYSA-N 0 0 425.416 3.535 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000051316430 557464327 /nfs/dbraw/zinc/46/43/27/557464327.db2.gz TVELASYBHNLTPH-UHFFFAOYSA-N 0 0 449.536 3.801 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1F ZINC000051316815 557465867 /nfs/dbraw/zinc/46/58/67/557465867.db2.gz UNUYRYUCRXWFKG-UHFFFAOYSA-N 0 0 445.426 3.565 50 0 IHAARN Cc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)nnn1-c1ccc(Br)cc1 ZINC000051317456 557469180 /nfs/dbraw/zinc/46/91/80/557469180.db2.gz RQXQVUZMLARKLL-UHFFFAOYSA-N 0 0 440.345 3.609 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000105009124 557470631 /nfs/dbraw/zinc/47/06/31/557470631.db2.gz YJQQLLGOULXGMQ-DHIUTWEWSA-N 0 0 437.515 3.921 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)C1 ZINC000105008234 557471759 /nfs/dbraw/zinc/47/17/59/557471759.db2.gz RAAABUKBLQOBPM-NZQKXSOJSA-N 0 0 437.515 3.779 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC 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448.571 3.589 50 0 IHAARN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Br)c2)no1 ZINC000012028746 557524721 /nfs/dbraw/zinc/52/47/21/557524721.db2.gz NSYWWICCUQGTRU-KRWDZBQOSA-N 0 0 428.286 3.725 50 0 IHAARN CC[C@@H](C(=O)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O)c1ccccc1 ZINC000012071470 557526634 /nfs/dbraw/zinc/52/66/34/557526634.db2.gz OJXCLHOFRQTJRR-HXUWFJFHSA-N 0 0 449.942 3.605 50 0 IHAARN Ic1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000012082530 557527677 /nfs/dbraw/zinc/52/76/77/557527677.db2.gz SOQJJEISZHCVMH-UHFFFAOYSA-N 0 0 432.265 3.815 50 0 IHAARN CC(C)C[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000107135634 557534846 /nfs/dbraw/zinc/53/48/46/557534846.db2.gz BQNWWMSIFUQHFF-VUHPKUFZSA-N 0 0 439.581 3.709 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000107177333 557535459 /nfs/dbraw/zinc/53/54/59/557535459.db2.gz UTHLGSOXEIDBAC-VNTMZGSJSA-N 0 0 426.394 3.684 50 0 IHAARN COc1cc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)O2)cc(OC)c1OC ZINC000045253672 557543026 /nfs/dbraw/zinc/54/30/26/557543026.db2.gz FWLQLYQYQAYJSA-LJQANCHMSA-N 0 0 435.274 3.714 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000108990366 557545123 /nfs/dbraw/zinc/54/51/23/557545123.db2.gz XZKZNCDDTGTCIB-ZIAGYGMSSA-N 0 0 446.910 3.502 50 0 IHAARN COc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)cc1Cl ZINC000045925878 557550415 /nfs/dbraw/zinc/55/04/15/557550415.db2.gz YMMUZLTXKMTXOW-UHFFFAOYSA-N 0 0 447.929 3.539 50 0 IHAARN O=C(NCc1cccc(Cl)c1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000045970025 557557598 /nfs/dbraw/zinc/55/75/98/557557598.db2.gz MEPGPTFUHKNQRG-UHFFFAOYSA-N 0 0 432.867 3.874 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000040018250 557679154 /nfs/dbraw/zinc/67/91/54/557679154.db2.gz TWAOZWWRQYWUBR-UHFFFAOYSA-N 0 0 449.532 3.771 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1 ZINC000040135630 557699643 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ZINC000001214800 568739520 /nfs/dbraw/zinc/73/95/20/568739520.db2.gz KBMQLBIFPDEPEX-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN NC(=O)CCn1c(-c2ccco2)nn(CN2CCC(CCc3ccccc3)CC2)c1=S ZINC000031653216 568741361 /nfs/dbraw/zinc/74/13/61/568741361.db2.gz GORWMSQTLATUOD-UHFFFAOYSA-N 0 0 439.585 3.852 50 0 IHAARN CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002167905 568742979 /nfs/dbraw/zinc/74/29/79/568742979.db2.gz KPLKQFSNDBEMII-UHFFFAOYSA-N 0 0 435.760 3.974 50 0 IHAARN O=C(COC(=O)c1ccccc1I)Nc1ccc(F)c(Cl)c1 ZINC000003231655 568743306 /nfs/dbraw/zinc/74/33/06/568743306.db2.gz PBIKIDJKEGBGGI-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(C(F)(F)F)c2)c1 ZINC000003253110 568744024 /nfs/dbraw/zinc/74/40/24/568744024.db2.gz UYLDGRDXJIKBIM-UHFFFAOYSA-N 0 0 426.460 3.796 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003259183 568744120 /nfs/dbraw/zinc/74/41/20/568744120.db2.gz LBLBAEIVQJTZKX-UHFFFAOYSA-N 0 0 438.311 3.598 50 0 IHAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000043987406 568745183 /nfs/dbraw/zinc/74/51/83/568745183.db2.gz RNIPMSHJUYWNSI-UHFFFAOYSA-N 0 0 449.580 3.788 50 0 IHAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)NCc1ccco1 ZINC000003311822 568745818 /nfs/dbraw/zinc/74/58/18/568745818.db2.gz NZTDMXPFMAYLAW-UHFFFAOYSA-N 0 0 435.505 3.786 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nc2)no1 ZINC000044094905 568748088 /nfs/dbraw/zinc/74/80/88/568748088.db2.gz FQXZQQIBZOXNGX-UHFFFAOYSA-N 0 0 437.569 3.916 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003372614 568748374 /nfs/dbraw/zinc/74/83/74/568748374.db2.gz NUOBNKHURJYICY-UHFFFAOYSA-N 0 0 449.488 3.555 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000003462186 568749765 /nfs/dbraw/zinc/74/97/65/568749765.db2.gz FOJRJDWDVZFULN-UHFFFAOYSA-N 0 0 440.477 3.501 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 ZINC000003493885 568750091 /nfs/dbraw/zinc/75/00/91/568750091.db2.gz WGGSGPKVFVVTGP-UHFFFAOYSA-N 0 0 427.526 3.801 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccnc1Cl ZINC000003500251 568750226 /nfs/dbraw/zinc/75/02/26/568750226.db2.gz MAIMCQWFSATHGI-UHFFFAOYSA-N 0 0 432.933 3.602 50 0 IHAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003569894 568750675 /nfs/dbraw/zinc/75/06/75/568750675.db2.gz ASURLRXLVRZQSI-UHFFFAOYSA-N 0 0 439.320 3.995 50 0 IHAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000003636705 568752274 /nfs/dbraw/zinc/75/22/74/568752274.db2.gz XVSHPUHKOCXVDA-IEBWSBKVSA-N 0 0 446.525 3.612 50 0 IHAARN C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000019161213 568752654 /nfs/dbraw/zinc/75/26/54/568752654.db2.gz NAQKVVSBDSUHRQ-KGLIPLIRSA-N 0 0 428.872 3.548 50 0 IHAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 ZINC000003649035 568752669 /nfs/dbraw/zinc/75/26/69/568752669.db2.gz HBEFIFIAJBWMHF-QNGOZBTKSA-N 0 0 449.532 3.860 50 0 IHAARN CN(Cc1cccs1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000299759899 568755730 /nfs/dbraw/zinc/75/57/30/568755730.db2.gz ORFFESDHWGPIMI-HSZRJFAPSA-N 0 0 428.529 3.875 50 0 IHAARN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cccc(-c5cncnc5)c4O3)cc2)n1 ZINC000299764994 568756156 /nfs/dbraw/zinc/75/61/56/568756156.db2.gz XLWDTOVACIJIRG-QHCPKHFHSA-N 0 0 439.519 3.739 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000299801018 568758023 /nfs/dbraw/zinc/75/80/23/568758023.db2.gz WXNYUYAVKUNEMR-ZEWVGQQJSA-N 0 0 443.591 3.673 50 0 IHAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccc(O)cc2)c2ccccc21 ZINC000263586676 568759472 /nfs/dbraw/zinc/75/94/72/568759472.db2.gz WWJKSIGNZYAONN-NRFANRHFSA-N 0 0 437.540 3.679 50 0 biogenic IHAARN CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015436888 568762061 /nfs/dbraw/zinc/76/20/61/568762061.db2.gz WDHAEADGNKLBRK-UHFFFAOYSA-N 0 0 444.553 3.862 50 0 IHAARN Cc1cc2sc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc2c(C)c1 ZINC000012651063 568774357 /nfs/dbraw/zinc/77/43/57/568774357.db2.gz MARFNPZPDDAXKH-INIZCTEOSA-N 0 0 429.567 3.953 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cccc(Br)c4)c3CO2)cc1 ZINC000263615574 568776089 /nfs/dbraw/zinc/77/60/89/568776089.db2.gz DBUYMUWBMSJVSF-KRWDZBQOSA-N 0 0 429.274 3.573 50 0 IHAARN Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CC2)c(C)c1 ZINC000025778168 568779656 /nfs/dbraw/zinc/77/96/56/568779656.db2.gz MQTHCHWQMLEXIL-UHFFFAOYSA-N 0 0 426.538 3.778 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 ZINC000019171912 568782356 /nfs/dbraw/zinc/78/23/56/568782356.db2.gz RZUJMYKUMLGNIH-OASJLCFRSA-N 0 0 439.515 3.758 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O ZINC000001391169 568785144 /nfs/dbraw/zinc/78/51/44/568785144.db2.gz NDTHEQABTKGHLN-UHFFFAOYSA-N 0 0 432.810 3.802 50 0 IHAARN C[C@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391977 568785350 /nfs/dbraw/zinc/78/53/50/568785350.db2.gz UBUNVIARSXBIGL-KRWDZBQOSA-N 0 0 435.851 3.663 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(C(F)(F)F)ccc3=O)cc2)cc1 ZINC000001400121 568785872 /nfs/dbraw/zinc/78/58/72/568785872.db2.gz QMHBZKKFWADMOH-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(CS(=O)(=O)NCC(C)C)c3)no2)cc1 ZINC000223231204 568786243 /nfs/dbraw/zinc/78/62/43/568786243.db2.gz FNFYTNXRDWYJBH-UHFFFAOYSA-N 0 0 443.525 3.678 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)cc1 ZINC000083944077 568786539 /nfs/dbraw/zinc/78/65/39/568786539.db2.gz KXDNNPYCRKIFHE-UHFFFAOYSA-N 0 0 445.567 3.520 50 0 IHAARN CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000001426390 568793966 /nfs/dbraw/zinc/79/39/66/568793966.db2.gz CAHNXZQIVHCZDE-IBGZPJMESA-N 0 0 438.509 3.535 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)CSc4ccccc43)s2)cs1 ZINC000025944074 568795181 /nfs/dbraw/zinc/79/51/81/568795181.db2.gz JESIQOUUDKIBJL-UHFFFAOYSA-N 0 0 429.592 3.978 50 0 IHAARN Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)s3)cc2)n[nH]1 ZINC000084205606 568796042 /nfs/dbraw/zinc/79/60/42/568796042.db2.gz XNWRRJRZBDPBCJ-KRWDZBQOSA-N 0 0 446.554 3.672 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 ZINC000084240495 568796327 /nfs/dbraw/zinc/79/63/27/568796327.db2.gz SSPWJHNLHWSCDW-FQEVSTJZSA-N 0 0 440.540 3.897 50 0 IHAARN Cc1occc1C(=O)Nc1nc(CC(=O)N2CCC(O)(c3ccccc3C)CC2)cs1 ZINC000084235203 568796623 /nfs/dbraw/zinc/79/66/23/568796623.db2.gz WPCUAHWONVDPJH-UHFFFAOYSA-N 0 0 439.537 3.658 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2-c2ccccc2C)cc1 ZINC000004212863 568796904 /nfs/dbraw/zinc/79/69/04/568796904.db2.gz YSEAUFQDWIBTMZ-IBGZPJMESA-N 0 0 438.553 3.639 50 0 IHAARN Cc1nccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000084290726 568797011 /nfs/dbraw/zinc/79/70/11/568797011.db2.gz JJIOUBGESVEINA-UHFFFAOYSA-N 0 0 432.299 3.633 50 0 IHAARN Cn1c2ccc(F)cc2nc1-c1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000084311190 568797029 /nfs/dbraw/zinc/79/70/29/568797029.db2.gz SFNBBYIZHPHMTK-UHFFFAOYSA-N 0 0 443.434 3.971 50 0 IHAARN O=C(NC[C@H](O)c1cc2ccccc2s1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000084595011 568799030 /nfs/dbraw/zinc/79/90/30/568799030.db2.gz KVNHLXSVQYEYTD-HKUYNNGSSA-N 0 0 426.513 3.742 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000015595378 568799171 /nfs/dbraw/zinc/79/91/71/568799171.db2.gz KBEOALSGMZYBTF-HXUWFJFHSA-N 0 0 444.553 3.512 50 0 IHAARN CCN(C(=O)COc1ccc(I)cc1)[C@H](C)c1cccc(O)c1 ZINC000084760701 568801063 /nfs/dbraw/zinc/80/10/63/568801063.db2.gz DTADUYDUIKPOAG-CYBMUJFWSA-N 0 0 425.266 3.985 50 0 IHAARN Cc1nn(-c2nc(C)c(C(=O)N3CCN(C)CC3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000015669176 568801984 /nfs/dbraw/zinc/80/19/84/568801984.db2.gz FLVKVEHZONTQNA-UHFFFAOYSA-N 0 0 444.004 3.886 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000015680761 568806531 /nfs/dbraw/zinc/80/65/31/568806531.db2.gz BUPOSKWOMAENDO-UHFFFAOYSA-N 0 0 429.307 3.982 50 0 IHAARN CC1CCC(NC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000015722540 568812073 /nfs/dbraw/zinc/81/20/73/568812073.db2.gz MEMICMYDNCQJTI-UHFFFAOYSA-N 0 0 431.602 3.901 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000015725880 568812279 /nfs/dbraw/zinc/81/22/79/568812279.db2.gz YIVKLUWAUFYXFV-UHFFFAOYSA-N 0 0 435.977 3.602 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccc(OC)cc1 ZINC000005091100 568812764 /nfs/dbraw/zinc/81/27/64/568812764.db2.gz WBICTIBDGZJKQJ-GCJKJVERSA-N 0 0 428.529 3.737 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc2S1 ZINC000015730920 568814308 /nfs/dbraw/zinc/81/43/08/568814308.db2.gz VAZCHHINQRSDSV-OAHLLOKOSA-N 0 0 442.566 3.516 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(F)c3)ncc2S1(=O)=O ZINC000015731759 568814559 /nfs/dbraw/zinc/81/45/59/568814559.db2.gz YCUMUHQARXDCQY-UHFFFAOYSA-N 0 0 444.513 3.542 50 0 IHAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n32)c1 ZINC000015732548 568815269 /nfs/dbraw/zinc/81/52/69/568815269.db2.gz RAZXUTDGSVURNR-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN COc1ccc(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c2nc(C)cc3C)c(OC)c1 ZINC000015735950 568816808 /nfs/dbraw/zinc/81/68/08/568816808.db2.gz FYLAOTXLTUSUOI-UHFFFAOYSA-N 0 0 447.539 3.789 50 0 IHAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767576 568821969 /nfs/dbraw/zinc/82/19/69/568821969.db2.gz RLEWXLMLUADAJI-UHFFFAOYSA-N 0 0 431.458 3.790 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3C)cc2C[C@H]1C ZINC000015769022 568822105 /nfs/dbraw/zinc/82/21/05/568822105.db2.gz HCWRZIHGJLNVEC-OAHLLOKOSA-N 0 0 432.517 3.624 50 0 IHAARN CCN(C(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccccc1 ZINC000015768826 568822117 /nfs/dbraw/zinc/82/21/17/568822117.db2.gz BRQGLQNCJFEPDI-QGZVFWFLSA-N 0 0 440.565 3.591 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3C)cc2C[C@@H]1C ZINC000015769018 568822171 /nfs/dbraw/zinc/82/21/71/568822171.db2.gz HCWRZIHGJLNVEC-HNNXBMFYSA-N 0 0 432.517 3.624 50 0 IHAARN CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)c1 ZINC000015771526 568822575 /nfs/dbraw/zinc/82/25/75/568822575.db2.gz QEACNIICRZNPPW-UHFFFAOYSA-N 0 0 428.514 3.760 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)CCC)cc3)cc2=O)s1 ZINC000015771876 568822652 /nfs/dbraw/zinc/82/26/52/568822652.db2.gz OKPCJHLUCBHJDJ-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)N1CCc2ccccc2C1 ZINC000015776240 568823849 /nfs/dbraw/zinc/82/38/49/568823849.db2.gz PXVANYLEWDFZRZ-UHFFFAOYSA-N 0 0 446.942 3.907 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2F)c2cccs2)cc1 ZINC000015780809 568825218 /nfs/dbraw/zinc/82/52/18/568825218.db2.gz IAUPAJNNMRHPPH-GOSISDBHSA-N 0 0 437.489 3.980 50 0 IHAARN COc1cccc(OC)c1C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000015781251 568825793 /nfs/dbraw/zinc/82/57/93/568825793.db2.gz ZNXVYZFSVSZWEJ-FQEVSTJZSA-N 0 0 447.484 3.689 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 ZINC000015783920 568826563 /nfs/dbraw/zinc/82/65/63/568826563.db2.gz HSTMDKKWEWCNJP-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000085628331 568828445 /nfs/dbraw/zinc/82/84/45/568828445.db2.gz JOQYTOZAQFVVSV-LBPRGKRZSA-N 0 0 445.292 3.680 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(Cl)c5)c(=O)n4ccn3n2)cc1 ZINC000085643099 568829494 /nfs/dbraw/zinc/82/94/94/568829494.db2.gz AYDGSLPZIFEYSB-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(Nc2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc3occc32)cc1 ZINC000085651131 568831899 /nfs/dbraw/zinc/83/18/99/568831899.db2.gz GTASIUYINOGXJP-UHFFFAOYSA-N 0 0 446.463 3.771 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2cccc(F)c2)c1C ZINC000085712553 568835538 /nfs/dbraw/zinc/83/55/38/568835538.db2.gz WJYSEXQSGVTIMR-UHFFFAOYSA-N 0 0 434.489 3.931 50 0 IHAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2OC)cc(=O)c1O ZINC000085875282 568838156 /nfs/dbraw/zinc/83/81/56/568838156.db2.gz TUIXUCMTNRXEGM-MRXNPFEDSA-N 0 0 427.478 3.736 50 0 biogenic IHAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc(OC)c1OC ZINC000002502854 568838363 /nfs/dbraw/zinc/83/83/63/568838363.db2.gz GHQBJWWIMAZMHI-IBGZPJMESA-N 0 0 448.541 3.562 50 0 IHAARN CCCCCOc1ccccc1/C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O ZINC000002366026 568838382 /nfs/dbraw/zinc/83/83/82/568838382.db2.gz DSGPCOKNHRAGGG-RCCKNPSSSA-N 0 0 449.532 3.860 50 0 IHAARN COc1cc(/C=C/C(=O)Nc2ccc(I)cc2)cc(OC)c1OC ZINC000001929667 568842002 /nfs/dbraw/zinc/84/20/02/568842002.db2.gz UFMOJXVDMSFBOV-RUDMXATFSA-N 0 0 439.249 3.969 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCCOc2ccccc2)S1 ZINC000015833008 568842529 /nfs/dbraw/zinc/84/25/29/568842529.db2.gz GHGUOSNZOAJKLL-NRFANRHFSA-N 0 0 427.526 3.844 50 0 IHAARN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000043191188 568842949 /nfs/dbraw/zinc/84/29/49/568842949.db2.gz OGSVCVZBYHYNOJ-NDBXHCKUSA-N 0 0 449.510 3.930 50 0 IHAARN O=C(CSC(=S)N1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000045067876 568843100 /nfs/dbraw/zinc/84/31/00/568843100.db2.gz JUICZQJITVKXJM-KRWDZBQOSA-N 0 0 449.598 3.915 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2COc3ccc(OC)cc32)nnc1[C@H](C)c1ccccc1 ZINC000045068221 568843160 /nfs/dbraw/zinc/84/31/60/568843160.db2.gz HGPVBPJQZNUMAN-DNVCBOLYSA-N 0 0 438.553 3.800 50 0 IHAARN COc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@@H](COCc3ccccc3)O[C@H]2OC)cc1 ZINC000257355522 568844088 /nfs/dbraw/zinc/84/40/88/568844088.db2.gz BAIZHVCQJXUTMV-ZSXJVMONSA-N 0 0 444.524 3.689 50 0 IHAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)C1=O ZINC000015843025 568844694 /nfs/dbraw/zinc/84/46/94/568844694.db2.gz WBAIBKJQXRRKQE-SFHVURJKSA-N 0 0 434.517 3.846 50 0 IHAARN COc1cccc(C=NNc2cn[nH]c(=O)c2Br)c1OCc1ccccc1F ZINC000006143403 568845711 /nfs/dbraw/zinc/84/57/11/568845711.db2.gz WLHJGURTDBPYPM-UHFFFAOYSA-N 0 0 447.264 3.705 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(F)c(F)c1)C[C@@H]1CSCN12 ZINC000015862159 568848363 /nfs/dbraw/zinc/84/83/63/568848363.db2.gz BBPLGQFSINLKDF-RQVMVGKASA-N 0 0 429.492 3.560 50 0 biogenic IHAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000015865422 568850120 /nfs/dbraw/zinc/85/01/20/568850120.db2.gz UCUMIURZDKQDBB-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc2nc(COc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)cc(=O)n2c1 ZINC000015865513 568850384 /nfs/dbraw/zinc/85/03/84/568850384.db2.gz MGFOZCQYLJRSET-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000015866071 568850776 /nfs/dbraw/zinc/85/07/76/568850776.db2.gz QPYPYKXIOLMING-UHFFFAOYSA-N 0 0 447.866 3.793 50 0 IHAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1 ZINC000006173434 568850846 /nfs/dbraw/zinc/85/08/46/568850846.db2.gz QFUYQCLINKITEN-UHFFFAOYSA-N 0 0 444.582 3.777 50 0 IHAARN CCOc1cc(Br)c(CC(=O)NCc2nc3ccccc3n2C)cc1OCC ZINC000049590151 568856519 /nfs/dbraw/zinc/85/65/19/568856519.db2.gz VMWKHHARSFTSHZ-UHFFFAOYSA-N 0 0 446.345 3.992 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882844 568857399 /nfs/dbraw/zinc/85/73/99/568857399.db2.gz MBWRNTSBCFPYEM-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)S1(=O)=O ZINC000575414198 568861139 /nfs/dbraw/zinc/86/11/39/568861139.db2.gz NZCOBHKELHELMN-UHFFFAOYSA-N 0 0 446.381 3.861 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000015972125 568861549 /nfs/dbraw/zinc/86/15/49/568861549.db2.gz FSXFFARJUOASMZ-FMKFIRIRSA-N 0 0 425.916 3.927 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000102050300 568866260 /nfs/dbraw/zinc/86/62/60/568866260.db2.gz VMZBZFJGHWKWHN-JNINTMOKSA-N 0 0 433.464 3.706 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1C ZINC000012937887 568867465 /nfs/dbraw/zinc/86/74/65/568867465.db2.gz ULCYIEXRMKUQKS-SFHVURJKSA-N 0 0 431.945 3.857 50 0 IHAARN CC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1ccccc1 ZINC000016097366 568870344 /nfs/dbraw/zinc/87/03/44/568870344.db2.gz IETCMJLRSHRBQN-VJOZSWGJSA-N 0 0 438.505 3.762 50 0 IHAARN C[C@]1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1(Cl)Cl ZINC000012945715 568870964 /nfs/dbraw/zinc/87/09/64/568870964.db2.gz UKGJVWKAVRBXDD-QGZVFWFLSA-N 0 0 429.735 3.618 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012950538 568872153 /nfs/dbraw/zinc/87/21/53/568872153.db2.gz GLFSZXHAPCCXQW-GOSISDBHSA-N 0 0 428.554 3.723 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575611671 568879143 /nfs/dbraw/zinc/87/91/43/568879143.db2.gz FQPVDYYOIVTGEC-OAHLLOKOSA-N 0 0 444.251 3.870 50 0 IHAARN Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1-c1ccsc1 ZINC000575612510 568879324 /nfs/dbraw/zinc/87/93/24/568879324.db2.gz GCHQUICCPZKTFU-QGZVFWFLSA-N 0 0 426.517 3.537 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(F)cc4F)nnc32)cc1 ZINC000009574054 568884152 /nfs/dbraw/zinc/88/41/52/568884152.db2.gz CHCNNRMIHFDBRB-UHFFFAOYSA-N 0 0 431.468 3.838 50 0 IHAARN O=S(=O)(c1ccc(Br)s1)N1CC(Oc2nc3ccccc3s2)C1 ZINC000090594375 568889131 /nfs/dbraw/zinc/88/91/31/568889131.db2.gz IELAYFKRTIXUFK-UHFFFAOYSA-N 0 0 431.358 3.572 50 0 IHAARN CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000032579156 568889538 /nfs/dbraw/zinc/88/95/38/568889538.db2.gz BVQNEVWWIHGZBL-QGZVFWFLSA-N 0 0 446.642 3.945 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607151 568889653 /nfs/dbraw/zinc/88/96/53/568889653.db2.gz LDPLGDSSHREUCY-UHFFFAOYSA-N 0 0 430.505 3.686 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)N3CCC(CSc4nc(C)cs4)CC3)CC2=O)c1 ZINC000090608112 568890986 /nfs/dbraw/zinc/89/09/86/568890986.db2.gz CGUGZQSXVFMMJV-QGZVFWFLSA-N 0 0 445.610 3.844 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000137772247 568892733 /nfs/dbraw/zinc/89/27/33/568892733.db2.gz DUBAAHJGMOUHKK-ODAXIHTASA-N 0 0 439.446 3.587 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(C)cc1 ZINC000006338614 568893139 /nfs/dbraw/zinc/89/31/39/568893139.db2.gz UKSRGAMRVPPIGT-UHFFFAOYSA-N 0 0 432.571 3.523 50 0 IHAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000013001461 568898855 /nfs/dbraw/zinc/89/88/55/568898855.db2.gz OLABGXPSEWQKLP-SECBINFHSA-N 0 0 438.880 3.779 50 0 IHAARN C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F ZINC000013011613 568901090 /nfs/dbraw/zinc/90/10/90/568901090.db2.gz TZVHDBSOZUODAO-NSHDSACASA-N 0 0 425.361 3.854 50 0 IHAARN O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000013019901 568902055 /nfs/dbraw/zinc/90/20/55/568902055.db2.gz OKNWADYFNIHBNC-UHFFFAOYSA-N 0 0 426.875 3.996 50 0 IHAARN CN(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035723651 568908394 /nfs/dbraw/zinc/90/83/94/568908394.db2.gz CMFHDVIDWWDIDM-INIZCTEOSA-N 0 0 429.933 3.680 50 0 IHAARN CC[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000390832739 568909423 /nfs/dbraw/zinc/90/94/23/568909423.db2.gz VLYRJXLHVQQJKA-DHIUTWEWSA-N 0 0 430.504 3.796 50 0 IHAARN COC(=O)[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2OC)C([N+](=O)[O-])=C2CCCCN2[C@]1(C)O ZINC000239203194 568910741 /nfs/dbraw/zinc/91/07/41/568910741.db2.gz RXVZXHIEEBHUIS-ZRGWGRIASA-N 0 0 445.299 3.571 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000239309408 568911090 /nfs/dbraw/zinc/91/10/90/568911090.db2.gz HOWMAEFMTWUHGU-LZLYRXPVSA-N 0 0 438.530 3.631 50 0 IHAARN C[C@@H]1CCC[C@H]([N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000242339134 568912744 /nfs/dbraw/zinc/91/27/44/568912744.db2.gz ZFEVUIHAYNXJLX-WWMYMODYSA-N 0 0 437.540 3.780 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@@H]([C@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@H]3C2)C1=O ZINC000245255642 568913737 /nfs/dbraw/zinc/91/37/37/568913737.db2.gz JQRMVDOOOSTCBW-XHOYROJHSA-N 0 0 442.515 3.955 50 0 IHAARN O=C(CN1c2ccccc2OCCC1=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000026792239 568916781 /nfs/dbraw/zinc/91/67/81/568916781.db2.gz YHWBBKDFIQTGSE-UHFFFAOYSA-N 0 0 436.468 3.956 50 0 IHAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000089396212 568922323 /nfs/dbraw/zinc/92/23/23/568922323.db2.gz FZUQNFLZDSVJHN-INIZCTEOSA-N 0 0 431.817 3.929 50 0 IHAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001916992 568922449 /nfs/dbraw/zinc/92/24/49/568922449.db2.gz POVHEEFITRQMCN-SFHVURJKSA-N 0 0 428.872 3.533 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccco3)c2)cc1 ZINC000089453605 568925295 /nfs/dbraw/zinc/92/52/95/568925295.db2.gz MORVVQHVLAZZAH-UHFFFAOYSA-N 0 0 441.509 3.942 50 0 IHAARN CCOC(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000016609074 568925373 /nfs/dbraw/zinc/92/53/73/568925373.db2.gz LYICEAZFHZCPIZ-QFIPXVFZSA-N 0 0 437.565 3.956 50 0 IHAARN C[C@@H]1S[C@]2(c3ccccc3NC2=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O ZINC000016608212 568925434 /nfs/dbraw/zinc/92/54/34/568925434.db2.gz GVQWJQUIHKMDJM-LMKMVOKYSA-N 0 0 443.528 3.890 50 0 IHAARN O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000016614788 568925897 /nfs/dbraw/zinc/92/58/97/568925897.db2.gz YMLSHVGSCDEBHF-UHFFFAOYSA-N 0 0 447.473 3.590 50 0 IHAARN COc1ccc(Nc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)s2)cc1 ZINC000016629857 568926816 /nfs/dbraw/zinc/92/68/16/568926816.db2.gz WPSKKOXXTKANNA-UHFFFAOYSA-N 0 0 443.554 3.829 50 0 IHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000064438454 568928283 /nfs/dbraw/zinc/92/82/83/568928283.db2.gz DSYQQFYDIRMISH-UHFFFAOYSA-N 0 0 427.932 3.560 50 0 IHAARN Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2)c(C)c1Cl ZINC000089520876 568929776 /nfs/dbraw/zinc/92/97/76/568929776.db2.gz DKNRMEZTZAEDQC-UHFFFAOYSA-N 0 0 427.844 3.667 50 0 IHAARN CCCCn1c(-c2ccc(OCCC)c(OCC)c2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000006567021 568931678 /nfs/dbraw/zinc/93/16/78/568931678.db2.gz RRUFUDASNZITKH-UHFFFAOYSA-N 0 0 428.533 3.951 50 0 IHAARN COc1cccc(CNC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1 ZINC000064565901 568932642 /nfs/dbraw/zinc/93/26/42/568932642.db2.gz LMCRCGBAUNMJRF-UHFFFAOYSA-N 0 0 438.503 3.553 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(COc4cccc(F)c4)nn3C)C2)c1 ZINC000064566038 568932772 /nfs/dbraw/zinc/93/27/72/568932772.db2.gz DROAKCHHEFKNRK-UHFFFAOYSA-N 0 0 429.517 3.502 50 0 IHAARN COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c(C)c1 ZINC000064566150 568933001 /nfs/dbraw/zinc/93/30/01/568933001.db2.gz JKIPUGHFDZWRCJ-UHFFFAOYSA-N 0 0 447.470 3.792 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1 ZINC000064566344 568933196 /nfs/dbraw/zinc/93/31/96/568933196.db2.gz QYLAKFADBDMERJ-HNNXBMFYSA-N 0 0 447.470 3.628 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)CSc1ccccc1)C2 ZINC000064566328 568933204 /nfs/dbraw/zinc/93/32/04/568933204.db2.gz LOIRFBSQIMHWGD-UHFFFAOYSA-N 0 0 431.521 3.814 50 0 IHAARN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)C2=O)CC1 ZINC000064567187 568933316 /nfs/dbraw/zinc/93/33/16/568933316.db2.gz CNHYNLRVUGRKNK-UHFFFAOYSA-N 0 0 437.927 3.759 50 0 IHAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580566 568934424 /nfs/dbraw/zinc/93/44/24/568934424.db2.gz NHGFJBDQEQTUON-UHFFFAOYSA-N 0 0 445.585 3.841 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4cccc(Cl)c4)nnc3c2=O)cc1 ZINC000064593819 568936264 /nfs/dbraw/zinc/93/62/64/568936264.db2.gz ACYQVOOEOMRCRT-UHFFFAOYSA-N 0 0 440.912 3.907 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C3 ZINC000100792108 568936582 /nfs/dbraw/zinc/93/65/82/568936582.db2.gz GISSEHZAJRJWSY-HXUWFJFHSA-N 0 0 443.425 3.886 50 0 biogenic IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1N ZINC000006602785 568937421 /nfs/dbraw/zinc/93/74/21/568937421.db2.gz FKWCUNJUQVACEQ-UHFFFAOYSA-N 0 0 425.562 3.573 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000016690070 568938534 /nfs/dbraw/zinc/93/85/34/568938534.db2.gz LBZWKNDPUBTGPH-PBHICJAKSA-N 0 0 432.521 3.562 50 0 IHAARN COCCCN1COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2C1 ZINC000054313671 568938773 /nfs/dbraw/zinc/93/87/73/568938773.db2.gz ZZIFFOBOFLLQHM-UHFFFAOYSA-N 0 0 425.481 3.974 50 0 biogenic IHAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000064605268 568939597 /nfs/dbraw/zinc/93/95/97/568939597.db2.gz HLOUNXXRZKIBKR-QGZVFWFLSA-N 0 0 430.508 3.655 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3c(C)[nH]c4ccccc34)C(=O)O2)c1 ZINC000027055127 568940364 /nfs/dbraw/zinc/94/03/64/568940364.db2.gz WDKVUQKEKLSGJI-KGENOOAVSA-N 0 0 437.521 3.851 50 0 IHAARN O=C(NCc1ccccc1)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1 ZINC000064611861 568941433 /nfs/dbraw/zinc/94/14/33/568941433.db2.gz SLDUNYKIKZVDML-UHFFFAOYSA-N 0 0 431.540 3.660 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)c2cc(C)c(C)cc2N1 ZINC000064661214 568942479 /nfs/dbraw/zinc/94/24/79/568942479.db2.gz JNRYXORUZCVBQO-UHFFFAOYSA-N 0 0 425.460 3.595 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2cc(C)c(C)cc2N1 ZINC000064661210 568942580 /nfs/dbraw/zinc/94/25/80/568942580.db2.gz VLWMLXDAXMIBBE-UHFFFAOYSA-N 0 0 445.878 3.940 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)c(Cl)c1 ZINC000064710060 568944636 /nfs/dbraw/zinc/94/46/36/568944636.db2.gz MNNMWAMGQYKJMS-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000036083712 568947431 /nfs/dbraw/zinc/94/74/31/568947431.db2.gz SEFGGJYKKCHJEU-FQEVSTJZSA-N 0 0 432.423 3.566 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C(C)C)cc2s1 ZINC000036092595 568951626 /nfs/dbraw/zinc/95/16/26/568951626.db2.gz OPAAQZNJXROOFK-ZEWMMAHBSA-N 0 0 437.631 3.849 50 0 IHAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)NCc1ccc(F)cc1F ZINC000064759296 568951848 /nfs/dbraw/zinc/95/18/48/568951848.db2.gz NQHXLSMFINQIIO-UHFFFAOYSA-N 0 0 425.414 3.932 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)CC ZINC000036117993 568955937 /nfs/dbraw/zinc/95/59/37/568955937.db2.gz TUTFGCXYEUDMMU-GOSISDBHSA-N 0 0 430.570 3.910 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)CC ZINC000036117991 568955955 /nfs/dbraw/zinc/95/59/55/568955955.db2.gz TUTFGCXYEUDMMU-SFHVURJKSA-N 0 0 430.570 3.910 50 0 IHAARN Cc1ccc([C@H]2OCC(C)(C)n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000064788174 568956594 /nfs/dbraw/zinc/95/65/94/568956594.db2.gz VHIOVADUOVUGHP-JOCHJYFZSA-N 0 0 433.508 3.770 50 0 IHAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccc(C)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000064788175 568956656 /nfs/dbraw/zinc/95/66/56/568956656.db2.gz VHIOVADUOVUGHP-QFIPXVFZSA-N 0 0 433.508 3.770 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119533 568956804 /nfs/dbraw/zinc/95/68/04/568956804.db2.gz ZFUYAAAZYRCHIT-HXUWFJFHSA-N 0 0 430.570 3.528 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119532 568956832 /nfs/dbraw/zinc/95/68/32/568956832.db2.gz ZFUYAAAZYRCHIT-FQEVSTJZSA-N 0 0 430.570 3.528 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000064789924 568957156 /nfs/dbraw/zinc/95/71/56/568957156.db2.gz PXEJZKJTZCTVSL-OAHLLOKOSA-N 0 0 432.480 3.705 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H]1CCCO1 ZINC000036122068 568958144 /nfs/dbraw/zinc/95/81/44/568958144.db2.gz MTPLCBFFQNUCNV-CTNGQTDRSA-N 0 0 442.581 3.589 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC(C)C ZINC000036122623 568958216 /nfs/dbraw/zinc/95/82/16/568958216.db2.gz BHGWYYMFOLDUJK-HXUWFJFHSA-N 0 0 429.586 3.940 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036123517 568958640 /nfs/dbraw/zinc/95/86/40/568958640.db2.gz LBHJNCCVGNWLFU-IBGZPJMESA-N 0 0 433.549 3.832 50 0 IHAARN Cc1ccccc1CNC(=O)CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792566 568959363 /nfs/dbraw/zinc/95/93/63/568959363.db2.gz SNWUBGNVZWXHJD-XMMPIXPASA-N 0 0 436.519 3.748 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@H]1CCCO1)C(=O)NC(C)(C)C ZINC000006723172 568963291 /nfs/dbraw/zinc/96/32/91/568963291.db2.gz LAXTVSWYXJAMBY-HXUWFJFHSA-N 0 0 430.593 3.980 50 0 IHAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036150790 568963991 /nfs/dbraw/zinc/96/39/91/568963991.db2.gz XRQBUVPAWXKJJX-UHFFFAOYSA-N 0 0 427.545 3.734 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155605 568966317 /nfs/dbraw/zinc/96/63/17/568966317.db2.gz ZBQSSJLIMGTJJC-RDPSFJRHSA-N 0 0 449.551 3.746 50 0 IHAARN COc1cc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc(OC)c1OC ZINC000064819979 568966785 /nfs/dbraw/zinc/96/67/85/568966785.db2.gz AOIGQBJLHSUCTH-UHFFFAOYSA-N 0 0 441.459 3.616 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1 ZINC000036159947 568967303 /nfs/dbraw/zinc/96/73/03/568967303.db2.gz ABZLOQXXCREWTB-KRWDZBQOSA-N 0 0 441.597 3.761 50 0 IHAARN Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccccc3C(F)(F)F)no2)cc1 ZINC000064841267 568969648 /nfs/dbraw/zinc/96/96/48/568969648.db2.gz HZLGURVLZJCEFM-UHFFFAOYSA-N 0 0 425.432 3.927 50 0 IHAARN Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(Br)s3)no2)cc1 ZINC000064841276 568969698 /nfs/dbraw/zinc/96/96/98/568969698.db2.gz JYRUICWXRWCBQJ-UHFFFAOYSA-N 0 0 442.360 3.732 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 ZINC000064841346 568969949 /nfs/dbraw/zinc/96/99/49/568969949.db2.gz QDXCTKUECAUHCV-UHFFFAOYSA-N 0 0 442.324 3.915 50 0 IHAARN COc1ccc(OC)c(NC(=O)N(C)CCc2noc(COc3ccc(F)cc3)n2)c1 ZINC000064840524 568970005 /nfs/dbraw/zinc/97/00/05/568970005.db2.gz PWPFXZNVVRVXKN-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)N3CCCCCC3)CC2)cc(OC)c1OC ZINC000064846728 568972281 /nfs/dbraw/zinc/97/22/81/568972281.db2.gz USSRQNAQVUTIRB-UHFFFAOYSA-N 0 0 433.549 3.749 50 0 IHAARN CCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1C ZINC000064859380 568972441 /nfs/dbraw/zinc/97/24/41/568972441.db2.gz GAQBRIXBHJUTNV-UHFFFAOYSA-N 0 0 443.551 3.559 50 0 IHAARN Cc1sc2nc(CN(CCC(C)C)C[C@H](O)COc3ccccc3)[nH]c(=O)c2c1C ZINC000036207046 568972777 /nfs/dbraw/zinc/97/27/77/568972777.db2.gz MKOKVDQDCKLTFL-SFHVURJKSA-N 0 0 429.586 3.889 50 0 IHAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862032 568973831 /nfs/dbraw/zinc/97/38/31/568973831.db2.gz JNIPAYHHOPMACD-UHFFFAOYSA-N 0 0 429.542 3.901 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210785 568975193 /nfs/dbraw/zinc/97/51/93/568975193.db2.gz RSRWKZQHVBHUSB-WMZHIEFXSA-N 0 0 429.605 3.539 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210794 568975414 /nfs/dbraw/zinc/97/54/14/568975414.db2.gz QVAUWRPWUXQPKW-YKSBVNFPSA-N 0 0 449.595 3.807 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211979 568975782 /nfs/dbraw/zinc/97/57/82/568975782.db2.gz FTMJEBDSSUHGNE-XXBNENTESA-N 0 0 435.568 3.561 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)NCc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869542 568976191 /nfs/dbraw/zinc/97/61/91/568976191.db2.gz UECJCSVDWJWXQH-UHFFFAOYSA-N 0 0 425.510 3.647 50 0 IHAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036213529 568977408 /nfs/dbraw/zinc/97/74/08/568977408.db2.gz VRHBSYHWOFXJJD-FQEVSTJZSA-N 0 0 442.585 3.625 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 ZINC000064872576 568978121 /nfs/dbraw/zinc/97/81/21/568978121.db2.gz BVBSYRYLBCHOBY-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(COc2ccc(=O)n(-c3ccc(C(=O)NCc4ccc(C)o4)cc3)n2)cc1 ZINC000064873339 568978292 /nfs/dbraw/zinc/97/82/92/568978292.db2.gz SDVGBBKHHVWJPD-UHFFFAOYSA-N 0 0 445.475 3.652 50 0 IHAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(Cl)c1 ZINC000064889098 568980233 /nfs/dbraw/zinc/98/02/33/568980233.db2.gz RICQOFKDURSQLY-UHFFFAOYSA-N 0 0 446.960 3.893 50 0 IHAARN CC(C)Cn1c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2[nH]c(=O)c1=O ZINC000064890950 568980954 /nfs/dbraw/zinc/98/09/54/568980954.db2.gz PYHQHPURJJZFHJ-UHFFFAOYSA-N 0 0 441.285 3.825 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251948 568984001 /nfs/dbraw/zinc/98/40/01/568984001.db2.gz SEHGUTLQMZLRCB-JXFKEZNVSA-N 0 0 439.522 3.937 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036252936 568984266 /nfs/dbraw/zinc/98/42/66/568984266.db2.gz SLXCUIFBOHRWMZ-VWLOTQADSA-N 0 0 433.596 3.671 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255752 568985098 /nfs/dbraw/zinc/98/50/98/568985098.db2.gz HXGGNTWTGFOPKR-HXUWFJFHSA-N 0 0 437.506 3.644 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000064924800 568986455 /nfs/dbraw/zinc/98/64/55/568986455.db2.gz SMOUEWINDORADW-UHFFFAOYSA-N 0 0 436.535 3.658 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927554 568987272 /nfs/dbraw/zinc/98/72/72/568987272.db2.gz RTEZINMGQBDHTA-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928776 568987810 /nfs/dbraw/zinc/98/78/10/568987810.db2.gz ZDBRZCWJRCQJNY-QGZVFWFLSA-N 0 0 428.964 3.941 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4C)ncn3)CC2)cc1 ZINC000064929272 568988118 /nfs/dbraw/zinc/98/81/18/568988118.db2.gz ZBRGCHXCIKQFOA-UHFFFAOYSA-N 0 0 436.581 3.915 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929965 568988289 /nfs/dbraw/zinc/98/82/89/568988289.db2.gz CTVSMOGXBKYKKP-KRWDZBQOSA-N 0 0 426.473 3.915 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064931041 568989232 /nfs/dbraw/zinc/98/92/32/568989232.db2.gz PCXPOVOCFUIISP-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1ccc(Cl)cc1 ZINC000064945750 568992919 /nfs/dbraw/zinc/99/29/19/568992919.db2.gz CUQLJRQIKLYNAJ-UHFFFAOYSA-N 0 0 427.917 3.667 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4cccc(F)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946557 568993515 /nfs/dbraw/zinc/99/35/15/568993515.db2.gz VIPBIZKVNYWQIS-UHFFFAOYSA-N 0 0 434.496 3.671 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4cccc(C)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946550 568993626 /nfs/dbraw/zinc/99/36/26/568993626.db2.gz LRORBQHZGLZCKE-UHFFFAOYSA-N 0 0 430.533 3.840 50 0 IHAARN O=C(CSc1ccc(N2CCc3ccccc3C2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000064945314 568993692 /nfs/dbraw/zinc/99/36/92/568993692.db2.gz SAXPGTJILYUTLK-UHFFFAOYSA-N 0 0 434.521 3.541 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311187 568997049 /nfs/dbraw/zinc/99/70/49/568997049.db2.gz HTELNTJHHMCWET-QFIPXVFZSA-N 0 0 427.495 3.920 50 0 IHAARN COc1cc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc(OC)c1OC ZINC000064951894 568997077 /nfs/dbraw/zinc/99/70/77/568997077.db2.gz VCWOXTYGRKROFR-CYBMUJFWSA-N 0 0 429.860 3.936 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)cc1 ZINC000036311922 568997252 /nfs/dbraw/zinc/99/72/52/568997252.db2.gz YKMNOPDMYXOACJ-DEOSSOPVSA-N 0 0 449.551 3.679 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1 ZINC000006809021 568998097 /nfs/dbraw/zinc/99/80/97/568998097.db2.gz MRFJNEHWLDYOHY-UHFFFAOYSA-N 0 0 428.577 3.846 50 0 IHAARN COc1cccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000036311692 568998422 /nfs/dbraw/zinc/99/84/22/568998422.db2.gz REYWYMNIEOEUFF-HSZRJFAPSA-N 0 0 439.531 3.790 50 0 IHAARN COCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccco1 ZINC000036314274 568998932 /nfs/dbraw/zinc/99/89/32/568998932.db2.gz BHWZQHGNCSMGEK-UHFFFAOYSA-N 0 0 439.512 3.759 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3ccc(C)cc3)cc2C[C@@H]1C ZINC000064959399 568999636 /nfs/dbraw/zinc/99/96/36/568999636.db2.gz WZPNVWXMBBOYQI-SFHVURJKSA-N 0 0 437.565 3.621 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 ZINC000064959030 568999842 /nfs/dbraw/zinc/99/98/42/568999842.db2.gz JSDUSQHAFWBGSE-UHFFFAOYSA-N 0 0 447.564 3.999 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064959699 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Cc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000064991591 569084608 /nfs/dbraw/zinc/08/46/08/569084608.db2.gz RDNKSDZUFVTPKI-UHFFFAOYSA-N 0 0 444.582 3.875 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(COc2ccc(C(=O)NC3CC3)cc2)o1 ZINC000036358669 569085250 /nfs/dbraw/zinc/08/52/50/569085250.db2.gz UXNULASGMMGNJV-UHFFFAOYSA-N 0 0 440.521 3.572 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(CCc4ccccc4)c3=O)n2)cc1 ZINC000064998896 569085475 /nfs/dbraw/zinc/08/54/75/569085475.db2.gz DDPGVBYCSQCQOP-UHFFFAOYSA-N 0 0 438.487 3.813 50 0 IHAARN COc1cccc(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000750 569086029 /nfs/dbraw/zinc/08/60/29/569086029.db2.gz GRELOAAJUXQTBG-UHFFFAOYSA-N 0 0 430.504 3.931 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc2c1OCCO2 ZINC000036360471 569086480 /nfs/dbraw/zinc/08/64/80/569086480.db2.gz LJDNGBGKWIUIAC-LBPRGKRZSA-N 0 0 427.848 3.528 50 0 IHAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3ccccc3F)co1)CC2 ZINC000036359730 569086575 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IHAARN O=C(CSc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)NC1CCCC1 ZINC000065025984 569090820 /nfs/dbraw/zinc/09/08/20/569090820.db2.gz TXMVHGFTXNJKIW-UHFFFAOYSA-N 0 0 431.993 3.608 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)Nc1ccc(F)c(F)c1 ZINC000065025847 569090827 /nfs/dbraw/zinc/09/08/27/569090827.db2.gz QCTXVJQHETXVFK-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CNC(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CCC2)cc1 ZINC000065029624 569091070 /nfs/dbraw/zinc/09/10/70/569091070.db2.gz SRTIOXCJNVPOGH-UHFFFAOYSA-N 0 0 426.948 3.862 50 0 IHAARN COc1ccc(Cn2nnc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc32)cc1 ZINC000065030211 569091200 /nfs/dbraw/zinc/09/12/00/569091200.db2.gz SUYOEXBNUKFLMN-UHFFFAOYSA-N 0 0 445.498 3.590 50 0 IHAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036517 569092568 /nfs/dbraw/zinc/09/25/68/569092568.db2.gz NTJHQXNYKJASCW-UHFFFAOYSA-N 0 0 444.582 3.802 50 0 IHAARN C[C@@H](Cc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1N)c1ccccc1 ZINC000006865272 569092625 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COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 ZINC000065059215 569095921 /nfs/dbraw/zinc/09/59/21/569095921.db2.gz PMXFWLWUFTXAMZ-XMMPIXPASA-N 0 0 444.597 3.728 50 0 IHAARN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000036390330 569096553 /nfs/dbraw/zinc/09/65/53/569096553.db2.gz APYYYIBWUNKNQM-OAQYLSRUSA-N 0 0 442.544 3.914 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)cc1 ZINC000065062641 569097185 /nfs/dbraw/zinc/09/71/85/569097185.db2.gz XMLXQNKIMBCAFO-UHFFFAOYSA-N 0 0 438.553 3.759 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ccc(C)cc3)C2)s1 ZINC000036391522 569097318 /nfs/dbraw/zinc/09/73/18/569097318.db2.gz QXGNOSFNYFWMGG-QGZVFWFLSA-N 0 0 438.640 3.674 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21)N1CCCC1 ZINC000065075998 569099181 /nfs/dbraw/zinc/09/91/81/569099181.db2.gz HHZNKUMNURAUFS-UHFFFAOYSA-N 0 0 440.866 3.953 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21 ZINC000065075698 569099724 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Cc1ccc(CNC(=O)CSc2nnc(-c3cn(C)nc3-c3ccc(C)cc3)n2C)cc1 ZINC000065099359 569105074 /nfs/dbraw/zinc/10/50/74/569105074.db2.gz LAUMSLMDAREBOC-UHFFFAOYSA-N 0 0 446.580 3.908 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000006904321 569105811 /nfs/dbraw/zinc/10/58/11/569105811.db2.gz GMCHMIAPWREGBP-FPAXGFGJSA-N 0 0 425.484 3.856 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21 ZINC000065102062 569105986 /nfs/dbraw/zinc/10/59/86/569105986.db2.gz PONAQSIHWNTHNE-UHFFFAOYSA-N 0 0 434.496 3.566 50 0 IHAARN O=C(c1noc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc21)N1CCCCC1 ZINC000065115288 569106776 /nfs/dbraw/zinc/10/67/76/569106776.db2.gz NKTRHOVQYZLMAV-UHFFFAOYSA-N 0 0 425.510 3.595 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000065116133 569107182 /nfs/dbraw/zinc/10/71/82/569107182.db2.gz VIEWKOBJBGEELX-UHFFFAOYSA-N 0 0 441.509 3.622 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1 ZINC000065111885 569107798 /nfs/dbraw/zinc/10/77/98/569107798.db2.gz OSRWNWHQBPESGV-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)no2)c1 ZINC000065112206 569108033 /nfs/dbraw/zinc/10/80/33/569108033.db2.gz UKQYXEKDRLAHGK-UHFFFAOYSA-N 0 0 435.452 3.592 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000065112134 569108039 /nfs/dbraw/zinc/10/80/39/569108039.db2.gz RJBOWCQAYSJLPT-UHFFFAOYSA-N 0 0 427.501 3.933 50 0 IHAARN CCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc2ccccc21 ZINC000065113218 569108334 /nfs/dbraw/zinc/10/83/34/569108334.db2.gz KFMOOOJPHARTQN-UHFFFAOYSA-N 0 0 428.895 3.561 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3)c2c1=O ZINC000065113515 569108438 /nfs/dbraw/zinc/10/84/38/569108438.db2.gz XASKDGBJUMGWSN-UHFFFAOYSA-N 0 0 430.508 3.849 50 0 IHAARN O=C(c1cc2c(s1)CCCC2)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118194 569108893 /nfs/dbraw/zinc/10/88/93/569108893.db2.gz SKDXBUXFDUULKU-UHFFFAOYSA-N 0 0 435.553 3.912 50 0 IHAARN CCc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cn2)cc1 ZINC000065131201 569109278 /nfs/dbraw/zinc/10/92/78/569109278.db2.gz OUOPBCGKJPPSRE-UHFFFAOYSA-N 0 0 426.542 3.718 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(C)c3)no2)CC1 ZINC000065131010 569109291 /nfs/dbraw/zinc/10/92/91/569109291.db2.gz KPHMPFQFUNHXSS-UHFFFAOYSA-N 0 0 449.555 3.866 50 0 IHAARN Cc1cc(C)cc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)c1 ZINC000065131254 569109394 /nfs/dbraw/zinc/10/93/94/569109394.db2.gz RIYDFLRKMJYSPR-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN Cc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1C ZINC000065131250 569109438 /nfs/dbraw/zinc/10/94/38/569109438.db2.gz KWEUMIKCHTWDHW-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)C1 ZINC000065132025 569109708 /nfs/dbraw/zinc/10/97/08/569109708.db2.gz GAQPPHMKOCNJFL-OAHLLOKOSA-N 0 0 447.992 3.603 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc2c(c1)OCO2 ZINC000065136754 569110279 /nfs/dbraw/zinc/11/02/79/569110279.db2.gz IKGMRBXSDSPXGJ-INIZCTEOSA-N 0 0 427.476 3.895 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H](c3noc(-c4ccc(F)cc4)n3)C2)cc1OC ZINC000065149443 569110957 /nfs/dbraw/zinc/11/09/57/569110957.db2.gz NLBNXAOAXHRCCQ-KRWDZBQOSA-N 0 0 425.460 3.842 50 0 IHAARN Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)nc12 ZINC000065150791 569111444 /nfs/dbraw/zinc/11/14/44/569111444.db2.gz WCSPZAXZRGSJRH-UHFFFAOYSA-N 0 0 443.385 3.649 50 0 IHAARN Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)nc23)c1 ZINC000065150843 569111495 /nfs/dbraw/zinc/11/14/95/569111495.db2.gz OHXKRGFXGDOOPR-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN Cc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)NC4CCCC4)n3)CC2)c1 ZINC000065151391 569111742 /nfs/dbraw/zinc/11/17/42/569111742.db2.gz MKDFWCOYEGKZNB-UHFFFAOYSA-N 0 0 425.602 3.571 50 0 IHAARN COC(=O)c1cccc(NC(=O)CSc2nccc(N3CCc4ccccc4C3)n2)c1 ZINC000065151450 569111792 /nfs/dbraw/zinc/11/17/92/569111792.db2.gz KHCUWCMGTVGNPM-UHFFFAOYSA-N 0 0 434.521 3.557 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/nfs/dbraw/zinc/11/43/09/569114309.db2.gz PYDLFADGAODWFU-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC000065178647 569114475 /nfs/dbraw/zinc/11/44/75/569114475.db2.gz VGYDPMMNXZHWJU-OAQYLSRUSA-N 0 0 436.552 3.791 50 0 IHAARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065198999 569115061 /nfs/dbraw/zinc/11/50/61/569115061.db2.gz PBPWPMLQGBDESP-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196562 569115726 /nfs/dbraw/zinc/11/57/26/569115726.db2.gz YYCAVOVXUVPIKG-UHFFFAOYSA-N 0 0 446.269 3.951 50 0 IHAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(N3CCSCC3)o2)c(C)c1 ZINC000065209391 569116083 /nfs/dbraw/zinc/11/60/83/569116083.db2.gz KGKUVVIFDLFAFM-FQEVSTJZSA-N 0 0 438.553 3.654 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)c1OC ZINC000065210361 569116340 /nfs/dbraw/zinc/11/63/40/569116340.db2.gz HTAKJDDDWPXWDM-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN Cc1nc(-c2cccnc2SCC(=O)N2CCN(c3ccccc3Cl)CC2)no1 ZINC000065211154 569116478 /nfs/dbraw/zinc/11/64/78/569116478.db2.gz ANKVRGMZDNONTA-UHFFFAOYSA-N 0 0 429.933 3.534 50 0 IHAARN Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC(C)CC5)nc4)no3)CC2)c1 ZINC000065216163 569117005 /nfs/dbraw/zinc/11/70/05/569117005.db2.gz VCWSPKWWZIHZFO-UHFFFAOYSA-N 0 0 432.572 3.999 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2cc(F)cc(F)c2)s1 ZINC000065217448 569117181 /nfs/dbraw/zinc/11/71/81/569117181.db2.gz PHRSEOISILQDDW-UHFFFAOYSA-N 0 0 448.520 3.918 50 0 IHAARN O=C(C1CCN(c2cncnc2N2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000065226319 569117907 /nfs/dbraw/zinc/11/79/07/569117907.db2.gz SORLABQFZVNORF-UHFFFAOYSA-N 0 0 433.600 3.775 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)o2)cc1 ZINC000065229574 569118159 /nfs/dbraw/zinc/11/81/59/569118159.db2.gz WYEOTVSFSRUOLM-UHFFFAOYSA-N 0 0 431.540 3.610 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)Nc4ccc(OC)cc4OC)CC3)o2)cc1 ZINC000065229730 569118267 /nfs/dbraw/zinc/11/82/67/569118267.db2.gz GSRSTLVHWAATEQ-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3ccc(F)c(F)c3)nc2C)cc1 ZINC000065233040 569119092 /nfs/dbraw/zinc/11/90/92/569119092.db2.gz KEVLFRWTVVJELT-UHFFFAOYSA-N 0 0 431.464 3.850 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000036585661 569120120 /nfs/dbraw/zinc/12/01/20/569120120.db2.gz BBSBWZMPGUYGRJ-HXUWFJFHSA-N 0 0 447.564 3.943 50 0 IHAARN C=C1C(N2CCC(NC(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239220 569120224 /nfs/dbraw/zinc/12/02/24/569120224.db2.gz MICJGMDZZWRVSP-UHFFFAOYSA-N 0 0 435.977 3.584 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239472 569120484 /nfs/dbraw/zinc/12/04/84/569120484.db2.gz JBBDRHGEQNGFDH-UHFFFAOYSA-N 0 0 449.985 3.723 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239491 569120596 /nfs/dbraw/zinc/12/05/96/569120596.db2.gz LVOPBDGQYYQFCT-UHFFFAOYSA-N 0 0 443.594 3.686 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239547 569120635 /nfs/dbraw/zinc/12/06/35/569120635.db2.gz OOAITNZQBRFMGM-UHFFFAOYSA-N 0 0 437.565 3.570 50 0 IHAARN C=C1C(N2CCCN(C(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239502 569120652 /nfs/dbraw/zinc/12/06/52/569120652.db2.gz PGHRZACSFZLUQN-UHFFFAOYSA-N 0 0 429.586 3.501 50 0 IHAARN O=C(Cn1c(=O)c2cc(-c3cccs3)nn2c2ncccc21)NCc1ccccc1Cl ZINC000065240305 569120746 /nfs/dbraw/zinc/12/07/46/569120746.db2.gz FAWSTQFLIQEPHG-UHFFFAOYSA-N 0 0 449.923 3.743 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CC[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)CC2)c1 ZINC000065245284 569121610 /nfs/dbraw/zinc/12/16/10/569121610.db2.gz PFCBZBKCYGBMBE-NRFANRHFSA-N 0 0 448.615 3.705 50 0 IHAARN CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3OC)C2)ncn1 ZINC000065242460 569121625 /nfs/dbraw/zinc/12/16/25/569121625.db2.gz DAECXKLCNGRNNP-QGZVFWFLSA-N 0 0 427.549 3.951 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(-c4nnc(C(C)C)o4)co3)CC2)c1 ZINC000065246595 569121788 /nfs/dbraw/zinc/12/17/88/569121788.db2.gz FLKKSMZXBIRMDO-UHFFFAOYSA-N 0 0 430.530 3.581 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000036601971 569121804 /nfs/dbraw/zinc/12/18/04/569121804.db2.gz QXRIMOQDJPEFPI-HRAATJIYSA-N 0 0 447.564 3.943 50 0 IHAARN O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065246486 569121827 /nfs/dbraw/zinc/12/18/27/569121827.db2.gz HHYHYEKIWYOPCY-UHFFFAOYSA-N 0 0 446.504 3.637 50 0 IHAARN CC[C@@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1nc(C(F)(F)F)cc1C ZINC000036614994 569122453 /nfs/dbraw/zinc/12/24/53/569122453.db2.gz PKDBISVMIFZCEE-AWEZNQCLSA-N 0 0 448.467 3.708 50 0 IHAARN O=C(Nc1ccc(Br)cn1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000036615431 569122563 /nfs/dbraw/zinc/12/25/63/569122563.db2.gz HRFWBTWJZGAATA-CYBMUJFWSA-N 0 0 425.080 3.738 50 0 IHAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1cnn(Cc2cn(C)nc2C)c1 ZINC000036616381 569122888 /nfs/dbraw/zinc/12/28/88/569122888.db2.gz JKTDWOQOQBGTLF-UHFFFAOYSA-N 0 0 446.559 3.956 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613253 569123727 /nfs/dbraw/zinc/12/37/27/569123727.db2.gz JSZDWMZYLHLHEW-UHFFFAOYSA-N 0 0 441.535 3.602 50 0 IHAARN CCn1ncc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C ZINC000036613308 569123752 /nfs/dbraw/zinc/12/37/52/569123752.db2.gz WTITYQWJNRHQCP-AWEZNQCLSA-N 0 0 432.528 3.968 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCCC2 ZINC000013149840 569125775 /nfs/dbraw/zinc/12/57/75/569125775.db2.gz UMYWVIBNPBWQIZ-UHFFFAOYSA-N 0 0 441.538 3.668 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N1CCc2ccccc2C1 ZINC000524731285 569126505 /nfs/dbraw/zinc/12/65/05/569126505.db2.gz RLMXAVAKHLGGCW-VWLOTQADSA-N 0 0 437.499 3.776 50 0 biogenic IHAARN COc1ccc2c(c1)c(-c1csc(NC(=O)COc3coc(C)cc3=O)n1)c(C)n2C ZINC000524733954 569128016 /nfs/dbraw/zinc/12/80/16/569128016.db2.gz ICYHFJJCXMJHEK-UHFFFAOYSA-N 0 0 439.493 3.898 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cn4ccnc(-c5ccc(C)cc5)c4n3)CC2)c1 ZINC000065274585 569128489 /nfs/dbraw/zinc/12/84/89/569128489.db2.gz GVMSQDIPRJDDLT-UHFFFAOYSA-N 0 0 427.508 3.676 50 0 IHAARN O=C(C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1)N1CCOCC1 ZINC000065272055 569128946 /nfs/dbraw/zinc/12/89/46/569128946.db2.gz LHRYSWAKVJUHCX-UHFFFAOYSA-N 0 0 426.517 3.573 50 0 IHAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000065272342 569128989 /nfs/dbraw/zinc/12/89/89/569128989.db2.gz OOMFPRIQXYXISX-UHFFFAOYSA-N 0 0 441.491 3.907 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1Cl ZINC000065272740 569129125 /nfs/dbraw/zinc/12/91/25/569129125.db2.gz QLUOSYDLJJFUAY-CYBMUJFWSA-N 0 0 434.945 3.626 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(CC)c2)CC3)CC1 ZINC000065273463 569129603 /nfs/dbraw/zinc/12/96/03/569129603.db2.gz UJYDBTVUXSHHJH-KRWDZBQOSA-N 0 0 426.586 3.508 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)cc2)CC3)CC1 ZINC000065273482 569129629 /nfs/dbraw/zinc/12/96/29/569129629.db2.gz WQDYFAGUWJUDDY-CQSZACIVSA-N 0 0 432.977 3.599 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC3)CC1 ZINC000065273617 569129856 /nfs/dbraw/zinc/12/98/56/569129856.db2.gz XSCKNYLUCMYKBC-HNNXBMFYSA-N 0 0 447.004 3.845 50 0 IHAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273650 569129874 /nfs/dbraw/zinc/12/98/74/569129874.db2.gz QKZKXIRWOPUYGW-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273626 569129902 /nfs/dbraw/zinc/12/99/02/569129902.db2.gz RONSMEDAZFZDNB-GOSISDBHSA-N 0 0 440.613 3.754 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)cc1 ZINC000065273704 569129984 /nfs/dbraw/zinc/12/99/84/569129984.db2.gz HCTBQJJBQXEMFD-GOSISDBHSA-N 0 0 438.597 3.644 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000065291957 569130552 /nfs/dbraw/zinc/13/05/52/569130552.db2.gz WSGFMWWUVAHFGB-FQEVSTJZSA-N 0 0 428.504 3.843 50 0 IHAARN CCn1c(=O)c2cc(C(=O)Nc3ccc(OC)c(C(F)(F)F)c3)nn2c2ccccc21 ZINC000065292291 569130741 /nfs/dbraw/zinc/13/07/41/569130741.db2.gz MQCPVIUFSUFCCN-UHFFFAOYSA-N 0 0 430.386 3.949 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCc3ccc4c(c3)OCO4)sc12 ZINC000065293982 569131177 /nfs/dbraw/zinc/13/11/77/569131177.db2.gz QQKHUOWPIVQKQT-UHFFFAOYSA-N 0 0 449.536 3.580 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4cccs4)CC3)sc12 ZINC000065296951 569131600 /nfs/dbraw/zinc/13/16/00/569131600.db2.gz QHIVEPJQEBUBJQ-UHFFFAOYSA-N 0 0 427.530 3.953 50 0 IHAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)n32)cc1 ZINC000065307818 569132491 /nfs/dbraw/zinc/13/24/91/569132491.db2.gz FQJSGKSOAFGEPO-UHFFFAOYSA-N 0 0 440.866 3.683 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 ZINC000065307892 569132625 /nfs/dbraw/zinc/13/26/25/569132625.db2.gz IDGDLJZNCZZSBM-UHFFFAOYSA-N 0 0 440.866 3.683 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCC(C)C)C2)cc1 ZINC000065306772 569133512 /nfs/dbraw/zinc/13/35/12/569133512.db2.gz LJFAZQDTEFEBRT-IBGZPJMESA-N 0 0 438.597 3.803 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)CC1 ZINC000065315299 569134022 /nfs/dbraw/zinc/13/40/22/569134022.db2.gz KRCBTWQYUNMSET-UHFFFAOYSA-N 0 0 447.992 3.603 50 0 IHAARN O=C(c1cnc2ccccc2n1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000036704707 569134286 /nfs/dbraw/zinc/13/42/86/569134286.db2.gz NYQRHURVZLPBRV-UHFFFAOYSA-N 0 0 433.512 3.850 50 0 IHAARN O=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccccc1Cl ZINC000036705815 569134570 /nfs/dbraw/zinc/13/45/70/569134570.db2.gz RQVMPIWDIOSJEW-UHFFFAOYSA-N 0 0 426.889 3.860 50 0 IHAARN CCOc1c(C)cc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700444 569135300 /nfs/dbraw/zinc/13/53/00/569135300.db2.gz MDQIGIZVHSUILP-QHCPKHFHSA-N 0 0 446.613 3.834 50 0 IHAARN Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)nn2)c(C)c1 ZINC000036701794 569135641 /nfs/dbraw/zinc/13/56/41/569135641.db2.gz UHRCKUJAMPSYJZ-ATVHPVEESA-N 0 0 434.565 3.883 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 ZINC000065319758 569135926 /nfs/dbraw/zinc/13/59/26/569135926.db2.gz SHBKOAKORPWZEB-UHFFFAOYSA-N 0 0 443.598 3.844 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)N3CCCC[C@H]3C)n(Cc3cccs3)c(=O)c21 ZINC000065321344 569136466 /nfs/dbraw/zinc/13/64/66/569136466.db2.gz IQLBQYRVLHPULC-CQSZACIVSA-N 0 0 445.614 3.524 50 0 IHAARN O=C(Cc1c(F)cccc1Cl)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 ZINC000036709973 569137353 /nfs/dbraw/zinc/13/73/53/569137353.db2.gz GSLPCGJLKJHMJU-UHFFFAOYSA-N 0 0 436.965 3.734 50 0 IHAARN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000065562999 569139300 /nfs/dbraw/zinc/13/93/00/569139300.db2.gz XBMFHSOGLGGRIS-UHFFFAOYSA-N 0 0 429.929 3.799 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037181193 569140714 /nfs/dbraw/zinc/14/07/14/569140714.db2.gz DOZBKLMEJWOGOJ-ROUUACIJSA-N 0 0 437.565 3.774 50 0 IHAARN COc1ccc(OC)c2c1CN(C(=O)c1cc3ccc(Br)cc3[nH]1)C[C@@H]2O ZINC000170593468 569141283 /nfs/dbraw/zinc/14/12/83/569141283.db2.gz SRVDKVDAXDTPKK-INIZCTEOSA-N 0 0 431.286 3.637 50 0 IHAARN CN(CC(=O)Nc1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000170600617 569142934 /nfs/dbraw/zinc/14/29/34/569142934.db2.gz QMMJTFKXLVIPQO-UHFFFAOYSA-N 0 0 447.488 3.987 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(CC(C)(C)O)C[C@H]3C)cc12 ZINC000170602459 569143318 /nfs/dbraw/zinc/14/33/18/569143318.db2.gz PWTRMTZNXZQENI-OAHLLOKOSA-N 0 0 444.576 3.511 50 0 IHAARN Cn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000170607974 569144094 /nfs/dbraw/zinc/14/40/94/569144094.db2.gz SROLHJMBUBDLNC-CALCHBBNSA-N 0 0 449.898 3.757 50 0 IHAARN COc1cccc(C(=O)Nc2cnn(C[C@@H]3CCCCN3C(=O)c3cccc(OC)c3)c2)c1 ZINC000170611343 569145240 /nfs/dbraw/zinc/14/52/40/569145240.db2.gz UTHYNAXWPDEFJR-NRFANRHFSA-N 0 0 448.523 3.848 50 0 IHAARN COc1cccc(C(=O)Nc2cnn(C[C@H]3CCCCN3C(=O)c3cccc(OC)c3)c2)c1 ZINC000170611344 569145284 /nfs/dbraw/zinc/14/52/84/569145284.db2.gz UTHYNAXWPDEFJR-OAQYLSRUSA-N 0 0 448.523 3.848 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)C(C)(C)C)CC1 ZINC000037276948 569145378 /nfs/dbraw/zinc/14/53/78/569145378.db2.gz NVFMJVCSDPWKSF-UHFFFAOYSA-N 0 0 437.584 3.799 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccc(Cl)cc2)c(=O)n1CC1CC1 ZINC000037279699 569145697 /nfs/dbraw/zinc/14/56/97/569145697.db2.gz KYRRNZYHAQLXKV-UHFFFAOYSA-N 0 0 442.853 3.739 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614382 569146363 /nfs/dbraw/zinc/14/63/63/569146363.db2.gz NVBYRMKXCVJIMG-NRFANRHFSA-N 0 0 437.544 3.534 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000170625508 569148441 /nfs/dbraw/zinc/14/84/41/569148441.db2.gz CLEKVIHQXXZSMX-QFIPXVFZSA-N 0 0 427.456 3.974 50 0 IHAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000170631032 569148740 /nfs/dbraw/zinc/14/87/40/569148740.db2.gz CEJFHOFJBXLBQF-UHFFFAOYSA-N 0 0 440.540 3.627 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 ZINC000009870804 569149483 /nfs/dbraw/zinc/14/94/83/569149483.db2.gz XVOXTMOHMFHGRR-UHFFFAOYSA-N 0 0 446.540 3.956 50 0 IHAARN O=C(Oc1ccc(-c2nnco2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009882268 569149512 /nfs/dbraw/zinc/14/95/12/569149512.db2.gz LHRGWRUVDXEVOO-UHFFFAOYSA-N 0 0 447.472 3.707 50 0 IHAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 ZINC000009910333 569150459 /nfs/dbraw/zinc/15/04/59/569150459.db2.gz MFAKDDTYHHXEGJ-WHEQGISXSA-N 0 0 445.491 3.649 50 0 IHAARN COCCn1ccc2c1cccc2NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O ZINC000071286900 569150886 /nfs/dbraw/zinc/15/08/86/569150886.db2.gz GAXQGWXMAXNDBS-UHFFFAOYSA-N 0 0 436.899 3.804 50 0 IHAARN O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NC1CCCCCCC1 ZINC000071286776 569150936 /nfs/dbraw/zinc/15/09/36/569150936.db2.gz BGHMUELXUYWZSU-UHFFFAOYSA-N 0 0 436.600 3.932 50 0 IHAARN COc1ccc(CNC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)cc1OC ZINC000071288825 569151049 /nfs/dbraw/zinc/15/10/49/569151049.db2.gz HANHECPWEFZQLG-UHFFFAOYSA-N 0 0 444.487 3.947 50 0 IHAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2C1 ZINC000010220663 569152926 /nfs/dbraw/zinc/15/29/26/569152926.db2.gz VRDSLXGQRLHYDR-CQSZACIVSA-N 0 0 445.566 3.934 50 0 IHAARN COc1cn(CC(=O)NCc2ccc(C)cc2)c(CSc2nc(C)cs2)cc1=O ZINC000010254663 569154189 /nfs/dbraw/zinc/15/41/89/569154189.db2.gz NHXHZCYCWSNGQE-UHFFFAOYSA-N 0 0 429.567 3.539 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cs1 ZINC000010254648 569154194 /nfs/dbraw/zinc/15/41/94/569154194.db2.gz FYTLBWGKWZUFMG-UHFFFAOYSA-N 0 0 445.566 3.952 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1OC ZINC000010499953 569154771 /nfs/dbraw/zinc/15/47/71/569154771.db2.gz MTPLKRSEKKNEMB-UHFFFAOYSA-N 0 0 425.510 3.916 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)NCc4ccccc4)sc3C2)cc1 ZINC000013360532 569155282 /nfs/dbraw/zinc/15/52/82/569155282.db2.gz KTHSFOORNHBDPD-UHFFFAOYSA-N 0 0 442.566 3.520 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000013572387 569155675 /nfs/dbraw/zinc/15/56/75/569155675.db2.gz IDYRLVHBJVAJJH-KURKYZTESA-N 0 0 441.622 3.930 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000013572328 569155767 /nfs/dbraw/zinc/15/57/67/569155767.db2.gz JAKZODKKELKSIE-CABCVRRESA-N 0 0 448.013 3.886 50 0 IHAARN O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(I)cc1 ZINC000013577272 569155934 /nfs/dbraw/zinc/15/59/34/569155934.db2.gz XQLKEXFYPRPEDF-INIZCTEOSA-N 0 0 431.233 3.517 50 0 IHAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2F)s1 ZINC000013793375 569156990 /nfs/dbraw/zinc/15/69/90/569156990.db2.gz LGHVRQZWYKUZIQ-QGZVFWFLSA-N 0 0 447.557 3.783 50 0 IHAARN COc1ccc(NC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC ZINC000013801743 569157129 /nfs/dbraw/zinc/15/71/29/569157129.db2.gz VMWZTCOKXXRULG-UHFFFAOYSA-N 0 0 442.903 3.793 50 0 IHAARN C[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)N1CCc2ccccc2C1 ZINC000014147370 569157927 /nfs/dbraw/zinc/15/79/27/569157927.db2.gz NEUQOSQXNPGGEC-QGZVFWFLSA-N 0 0 433.508 3.561 50 0 IHAARN CN(Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000014285538 569158531 /nfs/dbraw/zinc/15/85/31/569158531.db2.gz BXVOXRGKFYHMPO-SFHVURJKSA-N 0 0 449.001 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 ZINC000089614453 569159842 /nfs/dbraw/zinc/15/98/42/569159842.db2.gz JZHGOIKTLIGOMI-UHFFFAOYSA-N 0 0 430.551 3.929 50 0 IHAARN CC(C)(C)[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000089642940 569160372 /nfs/dbraw/zinc/16/03/72/569160372.db2.gz HLPZZKHEKVUEMK-CQSZACIVSA-N 0 0 438.410 3.590 50 0 IHAARN Cc1ccc(C(=O)NC(=N)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000089651173 569160545 /nfs/dbraw/zinc/16/05/45/569160545.db2.gz GYNBVPWCMMCTEC-UHFFFAOYSA-N 0 0 437.924 3.717 50 0 IHAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)c(Cl)cc3C)nn2)cc1 ZINC000016838936 569162894 /nfs/dbraw/zinc/16/28/94/569162894.db2.gz YYKGFHHBBYBNDL-UHFFFAOYSA-N 0 0 447.944 3.780 50 0 IHAARN O=C(Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(O)CC3)cc2)c1)c1cccs1 ZINC000089780576 569162901 /nfs/dbraw/zinc/16/29/01/569162901.db2.gz MTHFMBLKMTUMPY-UHFFFAOYSA-N 0 0 449.532 3.850 50 0 IHAARN O=c1c2sccc2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1C1CC1 ZINC000016843342 569163545 /nfs/dbraw/zinc/16/35/45/569163545.db2.gz HGEOWUZDGUXTGG-UHFFFAOYSA-N 0 0 426.479 3.864 50 0 IHAARN Cc1ccc2nc(NC(=O)CCc3csc(NC(=O)c4ccc(=O)[nH]c4)n3)sc2c1 ZINC000016851303 569164941 /nfs/dbraw/zinc/16/49/41/569164941.db2.gz OKWHLKSLRYUOHJ-UHFFFAOYSA-N 0 0 439.522 3.573 50 0 IHAARN O=C(C[C@@H]1OC(=O)c2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 ZINC000089857843 569165925 /nfs/dbraw/zinc/16/59/25/569165925.db2.gz CXKGPAMUVIMRFD-SFHVURJKSA-N 0 0 430.298 3.873 50 0 IHAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)sc2=S)c1 ZINC000016944995 569166930 /nfs/dbraw/zinc/16/69/30/569166930.db2.gz NLBUAXBHVVDADT-UHFFFAOYSA-N 0 0 445.522 3.526 50 0 IHAARN Cc1nn(C(=O)c2ccccc2Br)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000016976457 569168805 /nfs/dbraw/zinc/16/88/05/569168805.db2.gz XISPSXABKWATIK-UHFFFAOYSA-N 0 0 440.363 3.516 50 0 IHAARN CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1csc(CC(=O)NC)n1 ZINC000089969379 569169378 /nfs/dbraw/zinc/16/93/78/569169378.db2.gz WXJMLTBMMQFECL-GOSISDBHSA-N 0 0 444.384 3.865 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000089969064 569169365 /nfs/dbraw/zinc/16/93/65/569169365.db2.gz PSOMMGQYVHPMJQ-UHFFFAOYSA-N 0 0 441.505 3.531 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1OC ZINC000016992197 569169556 /nfs/dbraw/zinc/16/95/56/569169556.db2.gz DHZUNONXORDEFE-UHFFFAOYSA-N 0 0 443.500 3.572 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1OC ZINC000017012525 569170596 /nfs/dbraw/zinc/17/05/96/569170596.db2.gz KMJJNYKQADRMHL-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000017043777 569171639 /nfs/dbraw/zinc/17/16/39/569171639.db2.gz QXATXXJODSVBTF-HXUWFJFHSA-N 0 0 439.512 3.740 50 0 IHAARN Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n(C)c21 ZINC000017135808 569174500 /nfs/dbraw/zinc/17/45/00/569174500.db2.gz PMYNTDPDDUDLRM-MTLKIYMJSA-N 0 0 443.594 3.710 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(Cl)s1 ZINC000017155187 569174958 /nfs/dbraw/zinc/17/49/58/569174958.db2.gz WWDSYBPBTMTBQA-UHFFFAOYSA-N 0 0 442.950 3.833 50 0 IHAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000017156369 569175087 /nfs/dbraw/zinc/17/50/87/569175087.db2.gz IARGYMRMVQEJPH-UHFFFAOYSA-N 0 0 436.898 3.605 50 0 IHAARN Cc1nc(NC(=O)c2c(Br)c3ccccc3n2C)sc1SCC(N)=O ZINC000170634506 569175124 /nfs/dbraw/zinc/17/51/24/569175124.db2.gz GLDKSYFKKAZGMZ-UHFFFAOYSA-N 0 0 439.360 3.535 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000017156387 569175163 /nfs/dbraw/zinc/17/51/63/569175163.db2.gz WZVQQSJFPVDHFO-AWEZNQCLSA-N 0 0 447.900 3.687 50 0 IHAARN O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000017178436 569175543 /nfs/dbraw/zinc/17/55/43/569175543.db2.gz VDJAHUWHVQVWDP-HXUWFJFHSA-N 0 0 449.473 3.614 50 0 IHAARN COc1ccc(-c2nc(N3CCCC3)nc3nn(Cc4ccccc4)c(N)c32)cc1OC ZINC000037358023 569175637 /nfs/dbraw/zinc/17/56/37/569175637.db2.gz UJLPUYLDCMYDCB-UHFFFAOYSA-N 0 0 430.512 3.741 50 0 IHAARN COc1ccccc1-c1nc(NC[C@H]2CCCO2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358157 569176033 /nfs/dbraw/zinc/17/60/33/569176033.db2.gz PWKFQCHVOMAWBC-MRXNPFEDSA-N 0 0 434.475 3.803 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OS(C)(=O)=O ZINC000002823629 569177421 /nfs/dbraw/zinc/17/74/21/569177421.db2.gz FVOWTHPCRSBGBX-SFQUDFHCSA-N 0 0 429.494 3.676 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000170636939 569178306 /nfs/dbraw/zinc/17/83/06/569178306.db2.gz BGIMDOJRPHIVDF-DOMZBBRYSA-N 0 0 446.935 3.907 50 0 IHAARN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002094094 569179051 /nfs/dbraw/zinc/17/90/51/569179051.db2.gz QEYMZICNDBICLO-SFHVURJKSA-N 0 0 427.478 3.747 50 0 biogenic IHAARN CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 ZINC000002105683 569181018 /nfs/dbraw/zinc/18/10/18/569181018.db2.gz KWADPUSLUQDVEO-BCHFMIIMSA-N 0 0 436.552 3.521 50 0 biogenic IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N23)cc1OC ZINC000002107415 569181330 /nfs/dbraw/zinc/18/13/30/569181330.db2.gz GELZNRNXZQLXCV-NBGIEHNGSA-N 0 0 447.535 3.526 50 0 biogenic IHAARN COc1ccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4cccc(OC)c4)c3c2N)cc1 ZINC000037360509 569181426 /nfs/dbraw/zinc/18/14/26/569181426.db2.gz SVFYFDDBIJXTJC-LJQANCHMSA-N 0 0 446.511 3.673 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(N3CCNC3=O)ccc2Cl)c(OC)c1 ZINC000170640805 569181482 /nfs/dbraw/zinc/18/14/82/569181482.db2.gz KRJIAMMXFYTNPR-IBGZPJMESA-N 0 0 429.904 3.864 50 0 IHAARN CCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)C1=O ZINC000002108455 569181704 /nfs/dbraw/zinc/18/17/04/569181704.db2.gz NJCYRDFGCFLQBR-DHLKQENFSA-N 0 0 431.536 3.588 50 0 biogenic IHAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000002116805 569182455 /nfs/dbraw/zinc/18/24/55/569182455.db2.gz WWFBZEVRTRVXLX-SQJMNOBHSA-N 0 0 441.487 3.655 50 0 biogenic IHAARN CC[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OC ZINC000002132507 569185019 /nfs/dbraw/zinc/18/50/19/569185019.db2.gz BTYHVYXEVYVEEP-VBURHUQHSA-N 0 0 437.492 3.931 50 0 biogenic IHAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cc(OC)ccc4OC)c(=O)n3n2)cc1 ZINC000002259632 569185736 /nfs/dbraw/zinc/18/57/36/569185736.db2.gz KRMDUJBQMSWWHK-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN O=S(=O)(NC[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000252484075 569186442 /nfs/dbraw/zinc/18/64/42/569186442.db2.gz FNLYWTHYKONOMT-XMMPIXPASA-N 0 0 439.556 3.668 50 0 IHAARN COc1cc(-c2nc(C(=O)NCCCO)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000002160115 569187840 /nfs/dbraw/zinc/18/78/40/569187840.db2.gz YFKVDYPJGFYADT-UHFFFAOYSA-N 0 0 435.480 3.521 50 0 biogenic IHAARN CC(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000252538800 569190213 /nfs/dbraw/zinc/19/02/13/569190213.db2.gz NIGKAFULWBVKMN-VQTJNVASSA-N 0 0 433.512 3.947 50 0 IHAARN O=C1N[C@](NC2CCCCC2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000002192300 569190609 /nfs/dbraw/zinc/19/06/09/569190609.db2.gz HKROOWLNNBAHNU-HNNXBMFYSA-N 0 0 425.329 3.822 50 0 IHAARN Cc1ccc2nc(CSCC(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C3CC3)cn2c1 ZINC000252549515 569190876 /nfs/dbraw/zinc/19/08/76/569190876.db2.gz RKFAFOAJHREPQP-SFHVURJKSA-N 0 0 432.590 3.638 50 0 IHAARN CC(C)S(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cc1 ZINC000037400184 569194780 /nfs/dbraw/zinc/19/47/80/569194780.db2.gz OZOJDNGRQOQGGR-LJQANCHMSA-N 0 0 435.517 3.764 50 0 IHAARN CC(C)S(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)cc1 ZINC000037400189 569194855 /nfs/dbraw/zinc/19/48/55/569194855.db2.gz QOIYJYRWFVSASC-OAQYLSRUSA-N 0 0 435.517 3.764 50 0 IHAARN COc1nc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)cc2ccccc21 ZINC000170682952 569195465 /nfs/dbraw/zinc/19/54/65/569195465.db2.gz PXRKLPTWLVTWBH-UTKZUKDTSA-N 0 0 429.480 3.631 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](CC)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037423628 569195677 /nfs/dbraw/zinc/19/56/77/569195677.db2.gz FEPJUGSIKQTTBJ-ACJLOTCBSA-N 0 0 431.895 3.811 50 0 IHAARN Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(CC(=O)NCc2ccco2)c1C ZINC000037427996 569195857 /nfs/dbraw/zinc/19/58/57/569195857.db2.gz CVUGAYRLWGRNHA-PLRJNAJWSA-N 0 0 437.443 3.836 50 0 IHAARN Cc1cn(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)/c(=N/C(=O)c2cccc(C)c2)s1 ZINC000037437954 569196389 /nfs/dbraw/zinc/19/63/89/569196389.db2.gz FFJKSCKBTVVVGZ-MCMRFMRISA-N 0 0 449.576 3.865 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)C2CCCC2)CC1 ZINC000037525167 569198959 /nfs/dbraw/zinc/19/89/59/569198959.db2.gz GADNJOGWKQWQFD-UHFFFAOYSA-N 0 0 449.595 3.943 50 0 biogenic IHAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002231772 569210779 /nfs/dbraw/zinc/21/07/79/569210779.db2.gz UPLKQIXODFYQPU-QZTJIDSGSA-N 0 0 437.887 3.740 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002249885 569214907 /nfs/dbraw/zinc/21/49/07/569214907.db2.gz CYGSIFGDUIMDIJ-PKOBYXMFSA-N 0 0 432.542 3.942 50 0 IHAARN COC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F ZINC000002262218 569215931 /nfs/dbraw/zinc/21/59/31/569215931.db2.gz LAQMMBVEQNCROF-KRWDZBQOSA-N 0 0 425.388 3.928 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCN3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002266767 569216352 /nfs/dbraw/zinc/21/63/52/569216352.db2.gz XWZYDCOEDHNBEC-UHFFFAOYSA-N 0 0 449.580 3.794 50 0 IHAARN O=C1OC(c2ccc(I)cc2)=N/C1=C\c1ccc(Br)o1 ZINC000027500240 569216527 /nfs/dbraw/zinc/21/65/27/569216527.db2.gz XOPRREJJEHSDNX-XFFZJAGNSA-N 0 0 444.022 3.991 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002274256 569217758 /nfs/dbraw/zinc/21/77/58/569217758.db2.gz IPNUCBYVUVCVQQ-HNNXBMFYSA-N 0 0 430.551 3.810 50 0 IHAARN CC(C)CCn1ccc2c1cccc2OCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000253410393 569265773 /nfs/dbraw/zinc/26/57/73/569265773.db2.gz NGUADZCEPJYYGZ-UXHICEINSA-N 0 0 433.552 3.874 50 0 biogenic IHAARN CS(=O)(=O)Cc1noc(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)n1 ZINC000253426789 569267398 /nfs/dbraw/zinc/26/73/98/569267398.db2.gz AYQZNWNMGLTWBG-UHFFFAOYSA-N 0 0 441.340 3.518 50 0 IHAARN CCOc1ccc(NC(=S)NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002347803 569281071 /nfs/dbraw/zinc/28/10/71/569281071.db2.gz YGHQUGAZSIBXDR-INIZCTEOSA-N 0 0 429.523 3.557 50 0 IHAARN COc1cc(-c2nc3s/c(=C\c4cccc5ccccc45)c(=O)n3n2)cc(OC)c1OC ZINC000002355657 569285805 /nfs/dbraw/zinc/28/58/05/569285805.db2.gz HOKOZIFBBNVZAJ-MOSHPQCFSA-N 0 0 445.500 3.545 50 0 IHAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OC ZINC000002363492 569287787 /nfs/dbraw/zinc/28/77/87/569287787.db2.gz VPMKXSOWKILHJM-ZHZULCJRSA-N 0 0 436.537 3.728 50 0 IHAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC ZINC000002369863 569288854 /nfs/dbraw/zinc/28/88/54/569288854.db2.gz WZAJVUOUSRJKON-HKWRFOASSA-N 0 0 436.537 3.728 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)C1 ZINC000008663753 569290061 /nfs/dbraw/zinc/29/00/61/569290061.db2.gz ZJOVOPTWEFSCSN-OAHLLOKOSA-N 0 0 442.566 3.878 50 0 IHAARN O=C(CC(=O)NC(=O)c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl ZINC000008887826 569291902 /nfs/dbraw/zinc/29/19/02/569291902.db2.gz IEMIMFCUIJNNKY-UHFFFAOYSA-N 0 0 448.089 3.903 50 0 IHAARN CC(C)CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O ZINC000009466517 569296617 /nfs/dbraw/zinc/29/66/17/569296617.db2.gz DUSFXIMEYYKAIE-UHFFFAOYSA-N 0 0 438.981 3.812 50 0 IHAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)cc(OC)c1OC ZINC000002410806 569300721 /nfs/dbraw/zinc/30/07/21/569300721.db2.gz HAUFFYRIGRFVBY-HNNXBMFYSA-N 0 0 433.464 3.667 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1OC ZINC000002418475 569301745 /nfs/dbraw/zinc/30/17/45/569301745.db2.gz KGOLAQRDFCVESM-OAHLLOKOSA-N 0 0 448.479 3.509 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1C ZINC000013009979 569306715 /nfs/dbraw/zinc/30/67/15/569306715.db2.gz QTSUTPGCAMORLH-UHFFFAOYSA-N 0 0 436.497 3.524 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1c(F)cccc1Cl ZINC000013010251 569306746 /nfs/dbraw/zinc/30/67/46/569306746.db2.gz GNDWLONLFUNBOH-UHFFFAOYSA-N 0 0 429.835 3.762 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000013042340 569308256 /nfs/dbraw/zinc/30/82/56/569308256.db2.gz OFNVLXGAVYYABP-UHFFFAOYSA-N 0 0 436.599 3.977 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@@H](C)O1 ZINC000013146438 569311845 /nfs/dbraw/zinc/31/18/45/569311845.db2.gz BKCXNDKPVSOVNB-ZIAGYGMSSA-N 0 0 442.459 3.756 50 0 IHAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000013356128 569313667 /nfs/dbraw/zinc/31/36/67/569313667.db2.gz KOHGZRGMJFPWIW-UHFFFAOYSA-N 0 0 425.485 3.899 50 0 IHAARN O=C(Nc1ccc(SCc2cc(=O)n3ccccc3n2)cc1)c1ccc2c(c1)OCO2 ZINC000013365381 569314264 /nfs/dbraw/zinc/31/42/64/569314264.db2.gz HMULSAXWIZZNHD-UHFFFAOYSA-N 0 0 431.473 3.968 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000013370262 569314954 /nfs/dbraw/zinc/31/49/54/569314954.db2.gz BZKGSAIOBUPRSV-UHFFFAOYSA-N 0 0 446.598 3.908 50 0 IHAARN CCC[C@H](C(=O)N1CCC(F)(c2ccccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328591652 569317112 /nfs/dbraw/zinc/31/71/12/569317112.db2.gz GHSGPSSZMAERHY-LJQANCHMSA-N 0 0 448.583 3.590 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)NCCCCc1nc(-c3cccnc3)cs1)C2=O ZINC000078752105 569318913 /nfs/dbraw/zinc/31/89/13/569318913.db2.gz JJWFGONQHLJJFI-UHFFFAOYSA-N 0 0 448.548 3.639 50 0 IHAARN COCc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)c1 ZINC000078878088 569319861 /nfs/dbraw/zinc/31/98/61/569319861.db2.gz JTUMDGYLTUCDMP-HXUWFJFHSA-N 0 0 444.329 3.763 50 0 IHAARN Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)C(F)(F)F ZINC000078968506 569320843 /nfs/dbraw/zinc/32/08/43/569320843.db2.gz DMBUOKKGQRBEHD-NHYWBVRUSA-N 0 0 434.256 3.987 50 0 IHAARN COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000078996201 569321714 /nfs/dbraw/zinc/32/17/14/569321714.db2.gz DGQJDKXCEFALPA-YVEFUNNKSA-N 0 0 434.286 3.501 50 0 IHAARN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000079022727 569322548 /nfs/dbraw/zinc/32/25/48/569322548.db2.gz TVJOCIDVNVBXQE-HNNXBMFYSA-N 0 0 437.496 3.683 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000079052270 569323458 /nfs/dbraw/zinc/32/34/58/569323458.db2.gz DQYVXOKSPWVSBM-IERDGZPVSA-N 0 0 444.578 3.939 50 0 IHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 ZINC000079074250 569324679 /nfs/dbraw/zinc/32/46/79/569324679.db2.gz ABTYPZBWCWVRPU-UZLBHIALSA-N 0 0 427.917 3.671 50 0 IHAARN COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@H]3C2)c(OC)c1 ZINC000254410552 569325132 /nfs/dbraw/zinc/32/51/32/569325132.db2.gz HARNOLVNZSGSSF-DYLHXGEVSA-N 0 0 434.536 3.829 50 0 IHAARN CCC[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000079106870 569325840 /nfs/dbraw/zinc/32/58/40/569325840.db2.gz CWTYBWFALWEASO-GOSISDBHSA-N 0 0 445.585 3.506 50 0 IHAARN COc1ccccc1-c1nnc(SCCC(=O)Nc2cccc(Br)c2)n1N ZINC000079107260 569325921 /nfs/dbraw/zinc/32/59/21/569325921.db2.gz DKWQFCNFENZISE-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2)n1 ZINC000079478701 569330855 /nfs/dbraw/zinc/33/08/55/569330855.db2.gz GOBCDDGEGOQSIP-UHFFFAOYSA-N 0 0 437.525 3.629 50 0 IHAARN COc1ccccc1NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000020103978 569334150 /nfs/dbraw/zinc/33/41/50/569334150.db2.gz NNYAXQFXDZYDCZ-UHFFFAOYSA-N 0 0 440.507 3.612 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)cc1 ZINC000390826804 569353835 /nfs/dbraw/zinc/35/38/35/569353835.db2.gz PSDZDDHNVYPVRQ-UHFFFAOYSA-N 0 0 438.553 3.781 50 0 IHAARN O=C(Cc1ccccc1Br)NC1CCN(c2nc3cccnc3s2)CC1 ZINC000390827234 569353919 /nfs/dbraw/zinc/35/39/19/569353919.db2.gz FUZOMTUPPPAYDH-UHFFFAOYSA-N 0 0 431.359 3.782 50 0 IHAARN Cc1cc2ccccc2n1CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829725 569354178 /nfs/dbraw/zinc/35/41/78/569354178.db2.gz GDQPBLCJFPFECJ-QFIPXVFZSA-N 0 0 428.529 3.867 50 0 IHAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000390831085 569354293 /nfs/dbraw/zinc/35/42/93/569354293.db2.gz PNSMHSZHLCSABB-AWEZNQCLSA-N 0 0 440.399 3.695 50 0 IHAARN O=C(Cc1nnc(-c2ccc(Br)cc2)o1)NCCc1c[nH]c2ccccc12 ZINC000020178115 569354623 /nfs/dbraw/zinc/35/46/23/569354623.db2.gz RNRLPUBHCQFIHN-UHFFFAOYSA-N 0 0 425.286 3.882 50 0 biogenic IHAARN CCN(CCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1cccc(C)c1 ZINC000020179104 569354786 /nfs/dbraw/zinc/35/47/86/569354786.db2.gz MRGZWQNOODKJCE-UHFFFAOYSA-N 0 0 442.991 3.919 50 0 IHAARN CN(C(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)C1CCCCC1 ZINC000020215776 569356721 /nfs/dbraw/zinc/35/67/21/569356721.db2.gz RXNYULYWGUQDGG-XIGIHCPSSA-N 0 0 428.532 3.670 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241450 569357860 /nfs/dbraw/zinc/35/78/60/569357860.db2.gz ADEHMAIUABPCSA-SSEXGKCCSA-N 0 0 446.956 3.920 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241700 569358043 /nfs/dbraw/zinc/35/80/43/569358043.db2.gz WMYQBZUFFBUDPA-IWAYBZMOSA-N 0 0 442.537 3.793 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020377701 569362292 /nfs/dbraw/zinc/36/22/92/569362292.db2.gz CIPVNMWIMZJGBT-OAQYLSRUSA-N 0 0 449.507 3.902 50 0 IHAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000080356987 569363290 /nfs/dbraw/zinc/36/32/90/569363290.db2.gz DFNGYJFFBFOERS-UKILVPOCSA-N 0 0 430.548 3.809 50 0 IHAARN COC(=O)[C@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000095405165 569364424 /nfs/dbraw/zinc/36/44/24/569364424.db2.gz NLGQBPSPAOZWAG-WMZHIEFXSA-N 0 0 449.532 3.791 50 0 IHAARN Cc1c2cnn(CC(=O)Nc3cc(F)ccc3F)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417349 569364917 /nfs/dbraw/zinc/36/49/17/569364917.db2.gz PSXDWIBGAHVOEP-UHFFFAOYSA-N 0 0 440.425 3.919 50 0 IHAARN Cc1c2cnn(CC(=O)N3CCc4ccccc4C3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417238 569364953 /nfs/dbraw/zinc/36/49/53/569364953.db2.gz CREIKSJWEAQDGZ-UHFFFAOYSA-N 0 0 444.510 3.587 50 0 IHAARN Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000020437230 569365564 /nfs/dbraw/zinc/36/55/64/569365564.db2.gz LBFNHSXVBBVFBG-HNNXBMFYSA-N 0 0 448.354 3.943 50 0 IHAARN CC1(C)OC[C@@H](CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)O1 ZINC000095427471 569365971 /nfs/dbraw/zinc/36/59/71/569365971.db2.gz WOXUVWDILIRAMJ-CQSZACIVSA-N 0 0 446.598 3.815 50 0 IHAARN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000095454968 569368574 /nfs/dbraw/zinc/36/85/74/569368574.db2.gz QCODRCLXMCVEFT-CQSZACIVSA-N 0 0 445.449 3.840 50 0 IHAARN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000095457628 569369042 /nfs/dbraw/zinc/36/90/42/569369042.db2.gz AKEPYGOPRGTWSJ-NCXUSEDFSA-N 0 0 432.565 3.868 50 0 IHAARN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000095457629 569369049 /nfs/dbraw/zinc/36/90/49/569369049.db2.gz AKEPYGOPRGTWSJ-MKXGPGLRSA-N 0 0 432.565 3.868 50 0 IHAARN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCc3ccc(F)c(F)c32)s1 ZINC000095457515 569369069 /nfs/dbraw/zinc/36/90/69/569369069.db2.gz KSJGTAXMJCCDAH-UHFFFAOYSA-N 0 0 442.553 3.873 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](c4nncn4C4CC4)C3)s2)cs1 ZINC000095461611 569369819 /nfs/dbraw/zinc/36/98/19/569369819.db2.gz BKTIUSFHZRDWMA-ZDUSSCGKSA-N 0 0 435.600 3.675 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cncnc1-c1ccccc1 ZINC000095462467 569370180 /nfs/dbraw/zinc/37/01/80/569370180.db2.gz LLFIZFNMNIOHSO-UHFFFAOYSA-N 0 0 425.286 3.583 50 0 IHAARN CC(C)[C@@H](O)C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000095463275 569370249 /nfs/dbraw/zinc/37/02/49/569370249.db2.gz OZLLYWAZUMVJOK-MAUKXSAKSA-N 0 0 427.372 3.759 50 0 IHAARN Cc1c(NC(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000095466199 569370775 /nfs/dbraw/zinc/37/07/75/569370775.db2.gz ICDUEBQMTUJROZ-MRXNPFEDSA-N 0 0 448.449 3.569 50 0 IHAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095476542 569372985 /nfs/dbraw/zinc/37/29/85/569372985.db2.gz VOWNFMPEBMBRON-SFHVURJKSA-N 0 0 449.946 3.783 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccco1 ZINC000095479154 569373638 /nfs/dbraw/zinc/37/36/38/569373638.db2.gz MHMZJLPOHFJINJ-UHFFFAOYSA-N 0 0 427.302 3.756 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000095480603 569373943 /nfs/dbraw/zinc/37/39/43/569373943.db2.gz LGNGWSXHQOBCKW-OAHLLOKOSA-N 0 0 445.361 3.878 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4c3ccn4C)cc2)cc1 ZINC000095480945 569374057 /nfs/dbraw/zinc/37/40/57/569374057.db2.gz IJPLNZJNKVNNCU-UHFFFAOYSA-N 0 0 449.532 3.918 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896161 569375165 /nfs/dbraw/zinc/37/51/65/569375165.db2.gz RSKCQEHDXXOCEG-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000095939042 569375209 /nfs/dbraw/zinc/37/52/09/569375209.db2.gz VNGZOSIHKOWZAE-UHFFFAOYSA-N 0 0 438.572 3.744 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2ncccc2O)cc1 ZINC000095946565 569376158 /nfs/dbraw/zinc/37/61/58/569376158.db2.gz ODVUCQVJSBNLKX-OAQYLSRUSA-N 0 0 444.491 3.892 50 0 IHAARN COc1ccc(OCCN2CCN([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000095947596 569376461 /nfs/dbraw/zinc/37/64/61/569376461.db2.gz QNGPHFRDHJOEGY-GOSISDBHSA-N 0 0 440.519 3.950 50 0 IHAARN O=S(=O)(NCc1ccnc(N2CCCCCC2)c1)c1ccc(F)cc1Br ZINC000095952899 569376743 /nfs/dbraw/zinc/37/67/43/569376743.db2.gz KEQQIAPAVZRSFW-UHFFFAOYSA-N 0 0 442.354 3.842 50 0 IHAARN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095989114 569378131 /nfs/dbraw/zinc/37/81/31/569378131.db2.gz IENNALOZXIBXFD-IIBYNOLFSA-N 0 0 434.943 3.946 50 0 IHAARN CC(C)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095989117 569378218 /nfs/dbraw/zinc/37/82/18/569378218.db2.gz IENNALOZXIBXFD-KKSFZXQISA-N 0 0 434.943 3.946 50 0 IHAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCO[C@@H](C(C)C)C3)nc2n1 ZINC000095994535 569378429 /nfs/dbraw/zinc/37/84/29/569378429.db2.gz CJFRYEWZWXKQLQ-LJQANCHMSA-N 0 0 425.558 3.530 50 0 IHAARN COc1cc(OC)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000096008120 569379586 /nfs/dbraw/zinc/37/95/86/569379586.db2.gz JBUFSQLIDDPYTG-IBGZPJMESA-N 0 0 425.403 3.945 50 0 IHAARN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)c12 ZINC000096011131 569379789 /nfs/dbraw/zinc/37/97/89/569379789.db2.gz PXNWOHRJWVZKNJ-KRWDZBQOSA-N 0 0 449.490 3.508 50 0 IHAARN O=C(OC1CCN(c2nncc3ccccc32)CC1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000096013445 569380385 /nfs/dbraw/zinc/38/03/85/569380385.db2.gz LBSADQGBCGPWOL-AWEZNQCLSA-N 0 0 445.445 3.620 50 0 IHAARN C[C@@H](C(=O)Nc1cc(-n2ccc3ccccc32)ncn1)n1nc(-c2cccs2)ccc1=O ZINC000096025275 569380659 /nfs/dbraw/zinc/38/06/59/569380659.db2.gz LEPJDBSWRDTJFK-HNNXBMFYSA-N 0 0 442.504 3.905 50 0 IHAARN O=C(Nc1ccc(Cl)cc1F)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095771 569381059 /nfs/dbraw/zinc/38/10/59/569381059.db2.gz SJYZAMLSUSVCAW-WKPIXPDZSA-N 0 0 429.926 3.514 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ncccc4Cl)CC3)CC2=O)cc1C ZINC000096096871 569381354 /nfs/dbraw/zinc/38/13/54/569381354.db2.gz PHPGZAROZHBAQS-KRWDZBQOSA-N 0 0 427.932 3.775 50 0 IHAARN O=C(c1nccc2ccccc21)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105565 569382403 /nfs/dbraw/zinc/38/24/03/569382403.db2.gz ZJPLQAICRQQRJP-UHFFFAOYSA-N 0 0 448.910 3.615 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000096116704 569383869 /nfs/dbraw/zinc/38/38/69/569383869.db2.gz IXCIPJWUUATRFN-ACJLOTCBSA-N 0 0 433.530 3.511 50 0 IHAARN CSCC[C@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)c1nnc2ccccn21 ZINC000096117598 569384079 /nfs/dbraw/zinc/38/40/79/569384079.db2.gz QXXORBKIRCERDF-IBGZPJMESA-N 0 0 435.553 3.887 50 0 IHAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117734 569384263 /nfs/dbraw/zinc/38/42/63/569384263.db2.gz DNDPYEHOIXWJFG-SCLBCKFNSA-N 0 0 433.530 3.915 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2[nH]1 ZINC000096118476 569384532 /nfs/dbraw/zinc/38/45/32/569384532.db2.gz WQXTZFPFSJEBSX-ZDUSSCGKSA-N 0 0 432.933 3.637 50 0 IHAARN O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C1(c2ccccc2)CCOCC1 ZINC000096121462 569385079 /nfs/dbraw/zinc/38/50/79/569385079.db2.gz HANRIQNQHQUNMW-UHFFFAOYSA-N 0 0 430.552 3.689 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CC[C@@H](OC)C4)cc3)n(C)n2)c1 ZINC000096122236 569385293 /nfs/dbraw/zinc/38/52/93/569385293.db2.gz LCZPGIKKOLBERX-LJQANCHMSA-N 0 0 436.512 3.582 50 0 IHAARN CC[C@@H](C)[C@H]1NC2(CCN(C(=O)c3cccc(OC)c3)CC2)N(Cc2ccccc2)C1=O ZINC000096210968 569386651 /nfs/dbraw/zinc/38/66/51/569386651.db2.gz HTYPKZOMUBNIJJ-AUSIDOKSSA-N 0 0 435.568 3.674 50 0 IHAARN COc1ccc(S(=O)(=O)CCNC(=O)CCc2cn(C(C)C)c3ccccc23)cc1 ZINC000096231281 569387503 /nfs/dbraw/zinc/38/75/03/569387503.db2.gz SUKUCBQZMUFIAT-UHFFFAOYSA-N 0 0 428.554 3.754 50 0 IHAARN C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nc2ccccc2n1C ZINC000096232149 569387705 /nfs/dbraw/zinc/38/77/05/569387705.db2.gz MKLRCLJZDKUJKX-AWEZNQCLSA-N 0 0 446.960 3.648 50 0 IHAARN CCCCN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(=O)c1ccco1 ZINC000096276151 569388503 /nfs/dbraw/zinc/38/85/03/569388503.db2.gz NHBIGDQILSMSMN-UHFFFAOYSA-N 0 0 429.473 3.840 50 0 IHAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)[C@]3(Cl)C[C@@H]3F)c2)n1 ZINC000096278462 569389077 /nfs/dbraw/zinc/38/90/77/569389077.db2.gz XOGFVFXDVWRDSJ-UWJYYQICSA-N 0 0 448.857 3.757 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1)C(C)=O ZINC000096279395 569389307 /nfs/dbraw/zinc/38/93/07/569389307.db2.gz YMFYUJCISSFLLV-QFIPXVFZSA-N 0 0 443.931 3.521 50 0 IHAARN CC(C)n1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)c(F)c2)c1=O ZINC000096280817 569389667 /nfs/dbraw/zinc/38/96/67/569389667.db2.gz BUCLGRTUNOWXSV-UHFFFAOYSA-N 0 0 430.842 3.910 50 0 IHAARN CCn1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1-c1cccc(OC)c1 ZINC000096288660 569390431 /nfs/dbraw/zinc/39/04/31/569390431.db2.gz JUVGOWQZGYGKTB-UHFFFAOYSA-N 0 0 438.553 3.738 50 0 IHAARN COCc1nnc(NC(=O)c2cnn(-c3cc(F)ccc3Cl)c2-n2cccc2)s1 ZINC000096301030 569392059 /nfs/dbraw/zinc/39/20/59/569392059.db2.gz LTBDEALBSNACOV-UHFFFAOYSA-N 0 0 432.868 3.706 50 0 IHAARN COc1ccc(C)cc1/C=C\C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 ZINC000096311084 569392668 /nfs/dbraw/zinc/39/26/68/569392668.db2.gz YGZMYCPIRCNNGI-XFFZJAGNSA-N 0 0 449.507 3.576 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)cc1F)c(=O)n2CC(=O)N[C@@H](C)c1ccccc1 ZINC000096318137 569393706 /nfs/dbraw/zinc/39/37/06/569393706.db2.gz XXUJEGDISHNZFC-INIZCTEOSA-N 0 0 449.457 3.616 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)cc1F)c(=O)n2CC(=O)N[C@H](C)c1ccccc1 ZINC000096318138 569393789 /nfs/dbraw/zinc/39/37/89/569393789.db2.gz XXUJEGDISHNZFC-MRXNPFEDSA-N 0 0 449.457 3.616 50 0 IHAARN Cc1[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000096319998 569393960 /nfs/dbraw/zinc/39/39/60/569393960.db2.gz HXOPELQXWXRXCK-UHFFFAOYSA-N 0 0 431.436 3.567 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1 ZINC000096322550 569394667 /nfs/dbraw/zinc/39/46/67/569394667.db2.gz OFVPNCUHCZBYBH-UHFFFAOYSA-N 0 0 440.507 3.881 50 0 IHAARN Cc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(C(C)C)cc4)nn3ccn2c1=O ZINC000096322548 569394682 /nfs/dbraw/zinc/39/46/82/569394682.db2.gz XTJIADGZAONZTP-UHFFFAOYSA-N 0 0 440.507 3.881 50 0 IHAARN O=c1ccc(-c2cccc(Br)c2)nn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000096322819 569394890 /nfs/dbraw/zinc/39/48/90/569394890.db2.gz ZKJUTUQJMMWKEY-UHFFFAOYSA-N 0 0 427.233 3.910 50 0 IHAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)N1CCC3(CC1)OCCO3)N2Cc1ccc(F)cc1 ZINC000096323014 569395054 /nfs/dbraw/zinc/39/50/54/569395054.db2.gz BPNLIWLYCMGCAC-OAQYLSRUSA-N 0 0 440.515 3.657 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 ZINC000096323171 569395101 /nfs/dbraw/zinc/39/51/01/569395101.db2.gz OTYNAZVJYACUGG-UHFFFAOYSA-N 0 0 445.972 3.867 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1cc(F)ccc1F)C2 ZINC000096331478 569396439 /nfs/dbraw/zinc/39/64/39/569396439.db2.gz RUQGAUKOLMVYRE-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C(=O)Nc1ccc(Cl)cc1)O2 ZINC000096336016 569396815 /nfs/dbraw/zinc/39/68/15/569396815.db2.gz METNQRVYFVYZHC-QUCCMNQESA-N 0 0 425.824 3.862 50 0 IHAARN Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)c1 ZINC000096372488 569397961 /nfs/dbraw/zinc/39/79/61/569397961.db2.gz BKAQVGSRHYIXEL-UHFFFAOYSA-N 0 0 439.519 3.634 50 0 IHAARN CCc1ccccc1S(=O)(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1 ZINC000096372700 569398001 /nfs/dbraw/zinc/39/80/01/569398001.db2.gz JCUWEIVTZKZSLF-UHFFFAOYSA-N 0 0 447.626 3.690 50 0 IHAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000096386001 569398295 /nfs/dbraw/zinc/39/82/95/569398295.db2.gz QBGKQZKXSPEUIM-UHFFFAOYSA-N 0 0 434.927 3.567 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000096386956 569398778 /nfs/dbraw/zinc/39/87/78/569398778.db2.gz VQJDALNBPACSCG-HXUWFJFHSA-N 0 0 431.492 3.815 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1OC ZINC000096396940 569399236 /nfs/dbraw/zinc/39/92/36/569399236.db2.gz UDBVXIDDPFRWEJ-UHFFFAOYSA-N 0 0 441.528 3.646 50 0 IHAARN Cc1oc(C2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc1C(=O)N(C)C ZINC000096397024 569399336 /nfs/dbraw/zinc/39/93/36/569399336.db2.gz IUMCFCXZGJCCCM-UHFFFAOYSA-N 0 0 435.322 3.859 50 0 IHAARN CCc1ccc(OCC(=O)Nc2n[nH]c(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096398948 569399798 /nfs/dbraw/zinc/39/97/98/569399798.db2.gz CIFODHGXUMDYRB-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/40/34/81/569403481.db2.gz OXTJJOFHRMSDGN-UHFFFAOYSA-N 0 0 431.489 3.890 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)c1 ZINC000002493463 569405568 /nfs/dbraw/zinc/40/55/68/569405568.db2.gz VVAAJLJOQVDCGD-UHFFFAOYSA-N 0 0 440.502 3.902 50 0 IHAARN Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc(C(F)(F)F)n1 ZINC000225733433 569407672 /nfs/dbraw/zinc/40/76/72/569407672.db2.gz UTRPMBVHIRLPNP-UHFFFAOYSA-N 0 0 449.260 3.838 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3cc(Br)cs3)CC2)cc(C(F)(F)F)n1 ZINC000225733242 569407683 /nfs/dbraw/zinc/40/76/83/569407683.db2.gz SCKPYDMIPNOAFV-UHFFFAOYSA-N 0 0 435.269 3.590 50 0 IHAARN Cc1nc2c(c(N3CCC(NC(=O)c4cc(Br)cs4)CC3)n1)CCCC2 ZINC000225739098 569407809 /nfs/dbraw/zinc/40/78/09/569407809.db2.gz ZXFFBXGYISILTK-UHFFFAOYSA-N 0 0 435.391 3.887 50 0 IHAARN O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)N1CCN(c2ncccn2)CC1 ZINC000028227323 569409167 /nfs/dbraw/zinc/40/91/67/569409167.db2.gz ASLUXCZQDWVUKE-UHFFFAOYSA-N 0 0 433.295 3.918 50 0 IHAARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228557 569409336 /nfs/dbraw/zinc/40/93/36/569409336.db2.gz BXDRPPSBTICQEX-FXAWDEMLSA-N 0 0 441.524 3.962 50 0 IHAARN O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000028291863 569409590 /nfs/dbraw/zinc/40/95/90/569409590.db2.gz UATYYSAKCYULHF-UHFFFAOYSA-N 0 0 443.091 3.772 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)n1 ZINC000002617882 569410360 /nfs/dbraw/zinc/41/03/60/569410360.db2.gz NVLDHUHIILFOQE-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000002617292 569410402 /nfs/dbraw/zinc/41/04/02/569410402.db2.gz FOEQKWGTXFPQSX-UHFFFAOYSA-N 0 0 446.569 3.702 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000002620371 569410918 /nfs/dbraw/zinc/41/09/18/569410918.db2.gz QQLBTAVLOILZGU-UHFFFAOYSA-N 0 0 449.467 3.928 50 0 IHAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1Cl ZINC000002624396 569411541 /nfs/dbraw/zinc/41/15/41/569411541.db2.gz OKSIRINECSGSGO-INIZCTEOSA-N 0 0 445.306 3.885 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)CNC(=O)C3CCCCC3)ccc21 ZINC000002626662 569411769 /nfs/dbraw/zinc/41/17/69/569411769.db2.gz XILLZRVSIODAKZ-UHFFFAOYSA-N 0 0 435.524 3.993 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)Nc1ccc2c(c1)OCO2 ZINC000002625942 569411815 /nfs/dbraw/zinc/41/18/15/569411815.db2.gz AYBGTKYOHDUOGD-UHFFFAOYSA-N 0 0 433.287 3.694 50 0 IHAARN COCCNC(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc21 ZINC000002628880 569411944 /nfs/dbraw/zinc/41/19/44/569411944.db2.gz ASUFBXNFKKAWKO-UHFFFAOYSA-N 0 0 444.487 3.983 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)c2cc3ccccc3o2)cc1 ZINC000002641264 569413646 /nfs/dbraw/zinc/41/36/46/569413646.db2.gz QJZCKYFVVBYMIC-SDNWHVSQSA-N 0 0 441.505 3.903 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000002647593 569414452 /nfs/dbraw/zinc/41/44/52/569414452.db2.gz MJKMKJDXOUYAFS-PPHZAIPVSA-N 0 0 439.515 3.654 50 0 IHAARN CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCC3 ZINC000002655972 569415499 /nfs/dbraw/zinc/41/54/99/569415499.db2.gz WDNJIUMUUCRWTC-UHFFFAOYSA-N 0 0 443.550 3.816 50 0 IHAARN CC(C)N(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1 ZINC000002664807 569416453 /nfs/dbraw/zinc/41/64/53/569416453.db2.gz TYTOPQJZVJEXGD-UHFFFAOYSA-N 0 0 427.504 3.924 50 0 IHAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000230059458 569419696 /nfs/dbraw/zinc/41/96/96/569419696.db2.gz AYMRJRDJJQJWPU-CABCVRRESA-N 0 0 443.388 3.905 50 0 IHAARN CCSc1nnc(C(F)F)n1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000002791127 569421741 /nfs/dbraw/zinc/42/17/41/569421741.db2.gz FRQLRDNLONFVHI-UHFFFAOYSA-N 0 0 439.345 3.630 50 0 IHAARN Cc1nn(CCNC(=S)Nc2cnn(Cc3ccccc3C)c2)c(C)c1Br ZINC000002798918 569422218 /nfs/dbraw/zinc/42/22/18/569422218.db2.gz IKHHGOJXWGKEEJ-UHFFFAOYSA-N 0 0 447.406 3.802 50 0 IHAARN O=C(NCCSCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000028867781 569422967 /nfs/dbraw/zinc/42/29/67/569422967.db2.gz LCYIRUDPJUCPOZ-UHFFFAOYSA-N 0 0 427.551 3.546 50 0 IHAARN O=C(NCCCSc1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000028974758 569423974 /nfs/dbraw/zinc/42/39/74/569423974.db2.gz QTGBUFNQPKETJD-UHFFFAOYSA-N 0 0 427.551 3.795 50 0 IHAARN COc1ccccc1CNC(=O)c1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C ZINC000002911256 569425021 /nfs/dbraw/zinc/42/50/21/569425021.db2.gz FCGBCBTZFZYFJG-UHFFFAOYSA-N 0 0 437.496 3.892 50 0 IHAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccc(I)cc2)Nc2nnnn21 ZINC000002918347 569425309 /nfs/dbraw/zinc/42/53/09/569425309.db2.gz VWKFCYZMPWQLRE-JKSUJKDBSA-N 0 0 447.280 3.823 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCC2=CCCCC2)c2ccco2)cc1 ZINC000002938535 569426537 /nfs/dbraw/zinc/42/65/37/569426537.db2.gz ATOHPPOFSKRIEI-FQEVSTJZSA-N 0 0 432.542 3.705 50 0 IHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000057063806 569429431 /nfs/dbraw/zinc/42/94/31/569429431.db2.gz AOBVDOWUCACEEV-INIZCTEOSA-N 0 0 438.503 3.633 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 ZINC000227003275 569431019 /nfs/dbraw/zinc/43/10/19/569431019.db2.gz SJYOMKDOCATNDX-RULNRJAQSA-N 0 0 433.382 3.753 50 0 IHAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3F)/c(=N/c3ccc4c(c3)OCO4)oc12 ZINC000002953200 569432270 /nfs/dbraw/zinc/43/22/70/569432270.db2.gz KADRZDIXIZEZHH-PNHLSOANSA-N 0 0 447.422 3.981 50 0 IHAARN CCOc1ccc([C@H]2NC(=O)N=C(CN3CC=C(c4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415350 569434109 /nfs/dbraw/zinc/43/41/09/569434109.db2.gz PQIPTWRBXSSOBF-XMMPIXPASA-N 0 0 447.535 3.656 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000057426756 569434674 /nfs/dbraw/zinc/43/46/74/569434674.db2.gz QUNLYKDYGCOUJD-UHFFFAOYSA-N 0 0 437.496 3.613 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccccc1C(F)(F)F ZINC000057428722 569434931 /nfs/dbraw/zinc/43/49/31/569434931.db2.gz CGGSNDKKRWEKKG-UHFFFAOYSA-N 0 0 445.422 3.871 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000057428827 569434977 /nfs/dbraw/zinc/43/49/77/569434977.db2.gz GYWSZTMWGUSQCH-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1cc(F)ccc1Cl ZINC000057428935 569435009 /nfs/dbraw/zinc/43/50/09/569435009.db2.gz BYVLIOAETSTZMR-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000057462933 569435428 /nfs/dbraw/zinc/43/54/28/569435428.db2.gz YBOJJWUGPSXELA-UHFFFAOYSA-N 0 0 444.894 3.508 50 0 IHAARN O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccccc1Cl ZINC000057473192 569435668 /nfs/dbraw/zinc/43/56/68/569435668.db2.gz FCCHXBWMTNTSSA-UHFFFAOYSA-N 0 0 439.924 3.760 50 0 IHAARN CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC000057473071 569435689 /nfs/dbraw/zinc/43/56/89/569435689.db2.gz IYLCKHWLHNOBHE-UHFFFAOYSA-N 0 0 427.932 3.514 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Br)n2)cc1C ZINC000057486138 569436384 /nfs/dbraw/zinc/43/63/84/569436384.db2.gz JPJXWHSMHCOHMI-UHFFFAOYSA-N 0 0 426.314 3.606 50 0 IHAARN CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000057486024 569436404 /nfs/dbraw/zinc/43/64/04/569436404.db2.gz UGJZXYWKFZXZKR-UHFFFAOYSA-N 0 0 425.432 3.538 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C)c3)n2)cc1OC ZINC000057487199 569436665 /nfs/dbraw/zinc/43/66/65/569436665.db2.gz IKNWHTLYFAOPLX-UHFFFAOYSA-N 0 0 432.480 3.847 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 ZINC000057490100 569437121 /nfs/dbraw/zinc/43/71/21/569437121.db2.gz ABUIZTRYQJKGQN-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc(F)cc2)CN1C ZINC000230100440 569437217 /nfs/dbraw/zinc/43/72/17/569437217.db2.gz XVVLECVLYLGIIY-KIVTUJJHSA-N 0 0 431.467 3.605 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O)c1ccccc1 ZINC000057491022 569437277 /nfs/dbraw/zinc/43/72/77/569437277.db2.gz KFKFISYAMSBLJO-UHFFFAOYSA-N 0 0 433.533 3.884 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000057491388 569437295 /nfs/dbraw/zinc/43/72/95/569437295.db2.gz BEZNXSVXQWZOTJ-UHFFFAOYSA-N 0 0 439.924 3.920 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000057491236 569437308 /nfs/dbraw/zinc/43/73/08/569437308.db2.gz LURJSJXLMSCUBL-UHFFFAOYSA-N 0 0 447.516 3.672 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2C)c1=O ZINC000057493442 569437563 /nfs/dbraw/zinc/43/75/63/569437563.db2.gz PGISTXQGKLFTHE-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000057493419 569437576 /nfs/dbraw/zinc/43/75/76/569437576.db2.gz RMCYOYATXXPZPD-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)ccc1F ZINC000057494448 569437713 /nfs/dbraw/zinc/43/77/13/569437713.db2.gz OZQPJWPKCXGIOH-UHFFFAOYSA-N 0 0 445.422 3.578 50 0 IHAARN COc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc2F)c1 ZINC000003032113 569437750 /nfs/dbraw/zinc/43/77/50/569437750.db2.gz SIFROKPXFNTTKA-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003032519 569437818 /nfs/dbraw/zinc/43/78/18/569437818.db2.gz KEKKXIQFSWRGAE-JOCHJYFZSA-N 0 0 442.512 3.560 50 0 IHAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1OC ZINC000003037763 569437973 /nfs/dbraw/zinc/43/79/73/569437973.db2.gz QOJBFEYFCNIEOM-HSZRJFAPSA-N 0 0 426.513 3.932 50 0 IHAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(Nc2cccc(F)c2)n1 ZINC000057506198 569438270 /nfs/dbraw/zinc/43/82/70/569438270.db2.gz PSXZYMRZDHPGHJ-UHFFFAOYSA-N 0 0 449.255 3.975 50 0 IHAARN COc1cccc(NC(=O)c2nnn(Cc3nc(-c4cccc(Cl)c4)oc3C)c2N)c1 ZINC000057511838 569438660 /nfs/dbraw/zinc/43/86/60/569438660.db2.gz BGYZVSUDEXZHMW-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN COc1cc(NC(=O)Cn2c(=O)cc(C)nc2-c2cccc(Cl)c2)cc(OC)c1OC ZINC000057526954 569439088 /nfs/dbraw/zinc/43/90/88/569439088.db2.gz UQPQPRPTJPTKDK-UHFFFAOYSA-N 0 0 443.887 3.537 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3C(c3ccccc3)=NCC2=O)c1 ZINC000003051383 569439199 /nfs/dbraw/zinc/43/91/99/569439199.db2.gz HYJQLFKTIQDHTF-UHFFFAOYSA-N 0 0 429.476 3.527 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)c(C)c(C)nc2-c2cccc(Cl)c2)c(OC)c1 ZINC000057527928 569439239 /nfs/dbraw/zinc/43/92/39/569439239.db2.gz IDCGLRVNAFPUTJ-UHFFFAOYSA-N 0 0 427.888 3.836 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003051650 569439289 /nfs/dbraw/zinc/43/92/89/569439289.db2.gz ORQRXLABLQTYLW-UHFFFAOYSA-N 0 0 431.473 3.707 50 0 IHAARN O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000057681174 569440915 /nfs/dbraw/zinc/44/09/15/569440915.db2.gz MUPPBOCMLXSDOC-INIZCTEOSA-N 0 0 432.423 3.945 50 0 IHAARN CCN(C(=O)[C@@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000057739586 569441158 /nfs/dbraw/zinc/44/11/58/569441158.db2.gz CMUZUWNRSRAHOS-SYGKUVGHSA-N 0 0 444.641 3.990 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003252810 569442990 /nfs/dbraw/zinc/44/29/90/569442990.db2.gz WWHAHMZKMZBKQN-LJQANCHMSA-N 0 0 437.805 3.691 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2O1 ZINC000003262034 569443292 /nfs/dbraw/zinc/44/32/92/569443292.db2.gz ZOXWRIRTOCKNOY-UHFFFAOYSA-N 0 0 425.268 3.663 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003263401 569443318 /nfs/dbraw/zinc/44/33/18/569443318.db2.gz LLWLHOYPXHMDET-MRXNPFEDSA-N 0 0 429.549 3.806 50 0 IHAARN CN(c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1)S(=O)(=O)c1cccs1 ZINC000003264236 569443374 /nfs/dbraw/zinc/44/33/74/569443374.db2.gz GMKJFVWLMHHKGJ-UHFFFAOYSA-N 0 0 442.562 3.537 50 0 IHAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC(=O)NC(C)(C)C)CCCC3)cc1 ZINC000003280814 569443887 /nfs/dbraw/zinc/44/38/87/569443887.db2.gz CMOZISUQIHOROT-UHFFFAOYSA-N 0 0 444.553 3.959 50 0 IHAARN Cc1cccc(C)c1NC(=S)NNC(=S)NC(=O)c1ccccc1Br ZINC000003281419 569443892 /nfs/dbraw/zinc/44/38/92/569443892.db2.gz PUVQCWDZRIRSRH-UHFFFAOYSA-N 0 0 437.388 3.572 50 0 IHAARN COCCCNC(=O)CN(C)[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000057986458 569443944 /nfs/dbraw/zinc/44/39/44/569443944.db2.gz BYUZFRLODRTNPE-HXUWFJFHSA-N 0 0 438.355 3.758 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(N)s1)C[C@H](C)CC2 ZINC000003291259 569444441 /nfs/dbraw/zinc/44/44/41/569444441.db2.gz HVBAHOGBCKKYIM-RKDXNWHRSA-N 0 0 426.589 3.603 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000003293722 569444560 /nfs/dbraw/zinc/44/45/60/569444560.db2.gz OEZCLLTWXXTCJJ-UHFFFAOYSA-N 0 0 431.521 3.669 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C)c1cccc(OC)c1 ZINC000058018847 569445097 /nfs/dbraw/zinc/44/50/97/569445097.db2.gz YYWHQYOAZPNBPS-SFHVURJKSA-N 0 0 430.501 3.630 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000003307368 569445311 /nfs/dbraw/zinc/44/53/11/569445311.db2.gz PUMCPUBHTBWCHV-UHFFFAOYSA-N 0 0 438.505 3.975 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@H](C)C2 ZINC000003312980 569445585 /nfs/dbraw/zinc/44/55/85/569445585.db2.gz IYEIKIUPQJNBJY-STQMWFEESA-N 0 0 431.510 3.939 50 0 IHAARN CCc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)cc1 ZINC000003313707 569445619 /nfs/dbraw/zinc/44/56/19/569445619.db2.gz NURCDZQIXCXSCX-UHFFFAOYSA-N 0 0 441.516 3.803 50 0 IHAARN CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000003331636 569446481 /nfs/dbraw/zinc/44/64/81/569446481.db2.gz NELDKIDNOVGACA-UHFFFAOYSA-N 0 0 425.301 3.777 50 0 IHAARN CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(Br)cc2)cc1 ZINC000003346071 569447103 /nfs/dbraw/zinc/44/71/03/569447103.db2.gz SNXSPHWTTRYIBP-UHFFFAOYSA-N 0 0 433.331 3.673 50 0 IHAARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@H](C)CCC[C@H]2C)c1 ZINC000003351870 569447431 /nfs/dbraw/zinc/44/74/31/569447431.db2.gz WQNVDSSCSKTUNE-IAGOWNOFSA-N 0 0 432.542 3.761 50 0 IHAARN Cc1cc(C)n2nc(C(=O)OCC(=O)c3c4ccccc4n(C)c3-c3ccccc3)nc2n1 ZINC000003354969 569447575 /nfs/dbraw/zinc/44/75/75/569447575.db2.gz AUHCAMUBCPAPQN-UHFFFAOYSA-N 0 0 439.475 3.940 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1 ZINC000003357992 569447700 /nfs/dbraw/zinc/44/77/00/569447700.db2.gz WYVWZHYJHIVZCU-UHFFFAOYSA-N 0 0 432.904 3.991 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c2oc1-c1ccccc1 ZINC000003359097 569447735 /nfs/dbraw/zinc/44/77/35/569447735.db2.gz GFLQKRWRAKSXNR-HZPDHXFCSA-N 0 0 435.476 3.561 50 0 IHAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(F)c(Br)c1 ZINC000058111081 569447823 /nfs/dbraw/zinc/44/78/23/569447823.db2.gz CFNIAXQXQWSBGK-SNVBAGLBSA-N 0 0 426.311 3.658 50 0 IHAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003372881 569448550 /nfs/dbraw/zinc/44/85/50/569448550.db2.gz XDBKMCCFVWXBCJ-UHFFFAOYSA-N 0 0 433.416 3.644 50 0 IHAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000058157869 569448998 /nfs/dbraw/zinc/44/89/98/569448998.db2.gz KMLLLIPVSZYCHR-UHFFFAOYSA-N 0 0 445.932 3.552 50 0 IHAARN CCCCn1c2nc(CN(C)c3ccc(Oc4ccccc4)cc3)n(C)c2c(=O)[nH]c1=O ZINC000058161198 569449238 /nfs/dbraw/zinc/44/92/38/569449238.db2.gz WACJNQPFSDZJDZ-UHFFFAOYSA-N 0 0 433.512 3.652 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000003399539 569449534 /nfs/dbraw/zinc/44/95/34/569449534.db2.gz LYQWVSFHXRIEIT-IERDGZPVSA-N 0 0 442.537 3.594 50 0 IHAARN COc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(OC)c1OC ZINC000003403894 569449881 /nfs/dbraw/zinc/44/98/81/569449881.db2.gz HIPSSXWOSOWIMS-UHFFFAOYSA-N 0 0 429.391 3.733 50 0 IHAARN COc1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c1 ZINC000030899475 569450765 /nfs/dbraw/zinc/45/07/65/569450765.db2.gz VUKTVWUPYMHGDE-UHFFFAOYSA-N 0 0 442.313 3.537 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003439162 569451099 /nfs/dbraw/zinc/45/10/99/569451099.db2.gz BLLZNUHBNDPCET-UHFFFAOYSA-N 0 0 431.521 3.993 50 0 IHAARN CC(C)c1noc([C@H](C)NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)n1 ZINC000670444419 569451209 /nfs/dbraw/zinc/45/12/09/569451209.db2.gz ZJNOGWVITVLZGD-QMMMGPOBSA-N 0 0 436.437 3.968 50 0 IHAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(F)cc1 ZINC000003464839 569451927 /nfs/dbraw/zinc/45/19/27/569451927.db2.gz GBJLFULULKUFFT-UHFFFAOYSA-N 0 0 439.892 3.693 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000003482012 569452317 /nfs/dbraw/zinc/45/23/17/569452317.db2.gz ZPTAWOPXDUXRDB-UHFFFAOYSA-N 0 0 443.908 3.858 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)CCc3c(C)nc4cc(C)nn4c3C)CC2)cc1 ZINC000031004397 569452340 /nfs/dbraw/zinc/45/23/40/569452340.db2.gz CBMPDGPGBPMEIK-UHFFFAOYSA-N 0 0 434.540 3.717 50 0 IHAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003487003 569452459 /nfs/dbraw/zinc/45/24/59/569452459.db2.gz VGWVOVKUAPDNMN-UHFFFAOYSA-N 0 0 427.448 3.541 50 0 IHAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)NC(C)C ZINC000003489904 569452461 /nfs/dbraw/zinc/45/24/61/569452461.db2.gz LTTIBVQPLYIVEN-UHFFFAOYSA-N 0 0 431.945 3.973 50 0 IHAARN CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 ZINC000003489417 569452462 /nfs/dbraw/zinc/45/24/62/569452462.db2.gz QGMWUORARHIHGO-UHFFFAOYSA-N 0 0 426.542 3.960 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2Cl)cc1 ZINC000003492338 569452608 /nfs/dbraw/zinc/45/26/08/569452608.db2.gz MWGLTRNVZKQSNU-UHFFFAOYSA-N 0 0 444.944 3.547 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl ZINC000003496787 569452652 /nfs/dbraw/zinc/45/26/52/569452652.db2.gz SGWBWPGTIMTAEP-UHFFFAOYSA-N 0 0 439.328 3.802 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000003528836 569453309 /nfs/dbraw/zinc/45/33/09/569453309.db2.gz PWTNDMRIJTWFFO-KRWDZBQOSA-N 0 0 438.549 3.536 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCc1cccs1 ZINC000003579958 569454333 /nfs/dbraw/zinc/45/43/33/569454333.db2.gz QDUQEACGNJYTBI-UHFFFAOYSA-N 0 0 425.510 3.995 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000003611702 569454978 /nfs/dbraw/zinc/45/49/78/569454978.db2.gz PNFAGLWGSBBSCJ-UHFFFAOYSA-N 0 0 430.570 3.536 50 0 IHAARN O=C(Cn1cc(C=C2NC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCC1 ZINC000003642008 569455544 /nfs/dbraw/zinc/45/55/44/569455544.db2.gz ABRSPYUWVNLGFS-ZHZULCJRSA-N 0 0 430.533 3.937 50 0 IHAARN COc1ccc(OC)c(CNC(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000003645896 569455629 /nfs/dbraw/zinc/45/56/29/569455629.db2.gz PSSLPTDLVVJILS-UHFFFAOYSA-N 0 0 438.553 3.627 50 0 IHAARN O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003654241 569455753 /nfs/dbraw/zinc/45/57/53/569455753.db2.gz FTGFGGGBMQEJNN-UHFFFAOYSA-N 0 0 443.477 3.958 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000031662515 569457004 /nfs/dbraw/zinc/45/70/04/569457004.db2.gz TURAJGWIQCCSNN-UHFFFAOYSA-N 0 0 441.431 3.543 50 0 IHAARN Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1SCC(N)=O ZINC000031798346 569457450 /nfs/dbraw/zinc/45/74/50/569457450.db2.gz FZNUVNOWFNKKTB-UHFFFAOYSA-N 0 0 443.579 3.990 50 0 IHAARN CC[C@](C)(CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCOCC1 ZINC000031927485 569458454 /nfs/dbraw/zinc/45/84/54/569458454.db2.gz PVYMMUPBFBFILA-RUZDIDTESA-N 0 0 442.556 3.514 50 0 IHAARN CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032092080 569459627 /nfs/dbraw/zinc/45/96/27/569459627.db2.gz IIWNEJREJIPOMJ-UHFFFAOYSA-N 0 0 429.505 3.921 50 0 IHAARN COc1ccccc1CCNC(=O)c1nc(-c2ccc(Cn3nc(C)cc3C)cc2)no1 ZINC000032094847 569459762 /nfs/dbraw/zinc/45/97/62/569459762.db2.gz OBIPTVCATWOZND-UHFFFAOYSA-N 0 0 431.496 3.579 50 0 IHAARN COc1ccc(CNC(=O)c2nc(-c3ccc(COc4c(=O)ccoc4C)cc3)no2)cc1 ZINC000032101183 569460063 /nfs/dbraw/zinc/46/00/63/569460063.db2.gz KCEVYWMFLRGOHV-UHFFFAOYSA-N 0 0 447.447 3.516 50 0 IHAARN COc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000032116785 569460296 /nfs/dbraw/zinc/46/02/96/569460296.db2.gz DHAILMIUPVLARC-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000004177374 569460704 /nfs/dbraw/zinc/46/07/04/569460704.db2.gz MTCOJWDNGNGTCT-UHFFFAOYSA-N 0 0 449.488 3.609 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000032408796 569461607 /nfs/dbraw/zinc/46/16/07/569461607.db2.gz SABHEBUHQDVRSR-UHFFFAOYSA-N 0 0 438.484 3.766 50 0 IHAARN COc1cc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc(OC)c1OC ZINC000008130848 569462212 /nfs/dbraw/zinc/46/22/12/569462212.db2.gz HZCPIUOOPBSSBU-HSZRJFAPSA-N 0 0 429.513 3.930 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000038487505 569462878 /nfs/dbraw/zinc/46/28/78/569462878.db2.gz JMWZKSHIRGAQNR-UHFFFAOYSA-N 0 0 433.855 3.641 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 ZINC000038488534 569463070 /nfs/dbraw/zinc/46/30/70/569463070.db2.gz XJADDVBNZBWWCH-UHFFFAOYSA-N 0 0 425.554 3.957 50 0 IHAARN COc1ccc(CCNC(=O)N2CCN(c3nc4c(cc(F)cc4F)s3)CC2)cc1 ZINC000038548447 569463951 /nfs/dbraw/zinc/46/39/51/569463951.db2.gz PQDCNFQDQYIKHE-UHFFFAOYSA-N 0 0 432.496 3.657 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1nc2c(s1)CCCC2 ZINC000038549193 569464010 /nfs/dbraw/zinc/46/40/10/569464010.db2.gz KUEZMUSAWVWFGN-UHFFFAOYSA-N 0 0 442.522 3.641 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1C ZINC000067218401 569464992 /nfs/dbraw/zinc/46/49/92/569464992.db2.gz CSOIOMIHZWEZRY-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000038632739 569465058 /nfs/dbraw/zinc/46/50/58/569465058.db2.gz NLSVWUPQSFHTMF-HSZRJFAPSA-N 0 0 440.565 3.550 50 0 IHAARN O=[N+]([O-])c1cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)ccc1Cl ZINC000008454006 569465167 /nfs/dbraw/zinc/46/51/67/569465167.db2.gz SYVWUJOUGAJLFI-UHFFFAOYSA-N 0 0 444.927 3.860 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(Cl)c1 ZINC000067226175 569465298 /nfs/dbraw/zinc/46/52/98/569465298.db2.gz AZWYWPCHZABHDT-ZDUSSCGKSA-N 0 0 431.949 3.690 50 0 IHAARN Cc1cc2nc(SCC(=O)N3CCOc4ccc(C)cc43)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237779 569465534 /nfs/dbraw/zinc/46/55/34/569465534.db2.gz IGCMUVNJYOQYHL-UHFFFAOYSA-N 0 0 426.542 3.515 50 0 IHAARN Cc1cc2nc(SCC(=O)NC3CCC(C)CC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067239414 569465691 /nfs/dbraw/zinc/46/56/91/569465691.db2.gz NSVZUAPCQWGIQE-UHFFFAOYSA-N 0 0 428.533 3.948 50 0 IHAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4cccc(OC)c4)s3)c2C)cc1 ZINC000038654993 569465787 /nfs/dbraw/zinc/46/57/87/569465787.db2.gz RJYDSRLVMAZICA-UHFFFAOYSA-N 0 0 449.536 3.955 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)c(C)c1 ZINC000067255616 569466046 /nfs/dbraw/zinc/46/60/46/569466046.db2.gz LOGBQVOPPNRDIQ-UHFFFAOYSA-N 0 0 433.537 3.915 50 0 IHAARN COc1ccc(-c2nc(C)cc(SCC(=O)NCc3cccc(OC)c3OC)n2)cc1 ZINC000067257683 569466103 /nfs/dbraw/zinc/46/61/03/569466103.db2.gz ILZXYTIKTIBPOG-UHFFFAOYSA-N 0 0 439.537 3.886 50 0 IHAARN Cc1c(C)c2c(OCC(=O)NCCCOC(C)C)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008490503 569466121 /nfs/dbraw/zinc/46/61/21/569466121.db2.gz KDHAVEZFAXSEIG-UHFFFAOYSA-N 0 0 431.529 3.824 50 0 biogenic IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N[C@H](C)c4ccc(F)cc4)ccn3n2)cc1 ZINC000067261229 569466448 /nfs/dbraw/zinc/46/64/48/569466448.db2.gz RIHGPCIFLQOEFO-QGZVFWFLSA-N 0 0 448.498 3.968 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(CC)cc4)ccn3n2)cc1 ZINC000067261170 569466482 /nfs/dbraw/zinc/46/64/82/569466482.db2.gz AKKOYGNUNLLMMJ-UHFFFAOYSA-N 0 0 444.535 3.831 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCc5ccccc5C4)ccn3n2)cc1C ZINC000067262247 569466629 /nfs/dbraw/zinc/46/66/29/569466629.db2.gz DMDGNSJWTHEPEN-UHFFFAOYSA-N 0 0 426.520 3.755 50 0 IHAARN COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067298841 569468062 /nfs/dbraw/zinc/46/80/62/569468062.db2.gz XDHNZPMKDYQNGK-WGJYXZIMSA-N 0 0 428.872 3.942 50 0 IHAARN CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000067299760 569468148 /nfs/dbraw/zinc/46/81/48/569468148.db2.gz YXMPXAAEVPRZSW-UHFFFAOYSA-N 0 0 432.549 3.993 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c1C ZINC000067301723 569468326 /nfs/dbraw/zinc/46/83/26/569468326.db2.gz QUIQKNRSGZHBHS-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)NCc3ccc(Cl)cc3)c2c(=O)n1CC(C)C ZINC000067320046 569468584 /nfs/dbraw/zinc/46/85/84/569468584.db2.gz WPNCTAXXKIQSCS-UHFFFAOYSA-N 0 0 432.977 3.854 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1C ZINC000067322155 569468689 /nfs/dbraw/zinc/46/86/89/569468689.db2.gz VUBWDLOQGQUBQN-UHFFFAOYSA-N 0 0 434.283 3.793 50 0 IHAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(Cl)cc21 ZINC000038860528 569469321 /nfs/dbraw/zinc/46/93/21/569469321.db2.gz QSAHCEVLJSYPHT-MRXNPFEDSA-N 0 0 448.850 3.915 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccc(F)cc5)o4)CC3)CC2=O)cc1 ZINC000038904680 569469399 /nfs/dbraw/zinc/46/93/99/569469399.db2.gz PDTKEVWWXGMSLW-LJQANCHMSA-N 0 0 448.498 3.943 50 0 IHAARN CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1)C(C)C ZINC000008623265 569469486 /nfs/dbraw/zinc/46/94/86/569469486.db2.gz GDJSCLKFBHRFPG-HSZRJFAPSA-N 0 0 442.947 3.980 50 0 IHAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 ZINC000008657487 569469722 /nfs/dbraw/zinc/46/97/22/569469722.db2.gz NSMKBMROFDEPDB-BJKOFHAPSA-N 0 0 439.475 3.903 50 0 IHAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 ZINC000008657485 569469746 /nfs/dbraw/zinc/46/97/46/569469746.db2.gz NSMKBMROFDEPDB-ZEQRLZLVSA-N 0 0 439.475 3.903 50 0 IHAARN Cc1ccc(-n2ccnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000008709746 569470830 /nfs/dbraw/zinc/47/08/30/569470830.db2.gz QUFMLQYAEFFJOP-IBGZPJMESA-N 0 0 447.626 3.540 50 0 IHAARN Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2Cl)c1 ZINC000008720476 569471571 /nfs/dbraw/zinc/47/15/71/569471571.db2.gz GMKNQCKYVHVTNG-CYBMUJFWSA-N 0 0 429.933 3.880 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c(C)s1 ZINC000008720435 569471603 /nfs/dbraw/zinc/47/16/03/569471603.db2.gz RRZHYRSKVUFZIK-UHFFFAOYSA-N 0 0 432.546 3.896 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nnc2N2CCCC2)cc1 ZINC000008720345 569471613 /nfs/dbraw/zinc/47/16/13/569471613.db2.gz LNRWYGJLXYDDFZ-UHFFFAOYSA-N 0 0 427.599 3.688 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000008728343 569472406 /nfs/dbraw/zinc/47/24/06/569472406.db2.gz UMSNCVRVVBIZDW-HSZRJFAPSA-N 0 0 427.504 3.793 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21 ZINC000008752060 569473520 /nfs/dbraw/zinc/47/35/20/569473520.db2.gz OBURMPOKFSCBDA-DJJJIMSYSA-N 0 0 440.546 3.803 50 0 IHAARN O=C(COC(=O)c1cc(O)c2ccccc2c1O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008755763 569473988 /nfs/dbraw/zinc/47/39/88/569473988.db2.gz DCJOEAAUYUOHGN-UHFFFAOYSA-N 0 0 448.475 3.719 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cnc12 ZINC000008762330 569474305 /nfs/dbraw/zinc/47/43/05/569474305.db2.gz ZQAKZNFRROQYER-UHFFFAOYSA-N 0 0 442.523 3.719 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000008777999 569475462 /nfs/dbraw/zinc/47/54/62/569475462.db2.gz CYXIWMMECLFHTN-JAXLGGSGSA-N 0 0 448.519 3.687 50 0 IHAARN CCNC(=O)NC(=O)[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)c1ccccc1 ZINC000008780136 569475595 /nfs/dbraw/zinc/47/55/95/569475595.db2.gz YMYTYNUIVGLGJZ-SFHVURJKSA-N 0 0 434.525 3.679 50 0 IHAARN Cc1nn(C)c2nc(C)cc(C3N=NC(=S)N3c3cnn(Cc4ccc(F)cc4)c3)c12 ZINC000008782560 569475797 /nfs/dbraw/zinc/47/57/97/569475797.db2.gz YICWSRDJRPRVIR-UHFFFAOYSA-N 0 0 434.504 3.505 50 0 IHAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4ccncc4)ccc23)cc1 ZINC000008789957 569476005 /nfs/dbraw/zinc/47/60/05/569476005.db2.gz OFCBORQFFQLNDX-UHFFFAOYSA-N 0 0 430.460 3.867 50 0 biogenic IHAARN CCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 ZINC000008824577 569477186 /nfs/dbraw/zinc/47/71/86/569477186.db2.gz TZLPAUAMVHGXHI-UHFFFAOYSA-N 0 0 435.509 3.589 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)c1C ZINC000008826331 569477596 /nfs/dbraw/zinc/47/75/96/569477596.db2.gz LJFPSEZISBFCNN-QFIPXVFZSA-N 0 0 429.511 3.685 50 0 IHAARN CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000008843917 569478528 /nfs/dbraw/zinc/47/85/28/569478528.db2.gz MKXQMLIQBVUQCC-HXUWFJFHSA-N 0 0 445.541 3.553 50 0 IHAARN Cc1ccccc1OCc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n[nH]1 ZINC000008850238 569479302 /nfs/dbraw/zinc/47/93/02/569479302.db2.gz QJVIVNFUZIOKQN-HNNXBMFYSA-N 0 0 437.525 3.548 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000008869160 569480446 /nfs/dbraw/zinc/48/04/46/569480446.db2.gz QAUSIYGPXTXXSW-LJQANCHMSA-N 0 0 427.551 3.910 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000008869164 569480455 /nfs/dbraw/zinc/48/04/55/569480455.db2.gz QAUSIYGPXTXXSW-IBGZPJMESA-N 0 0 427.551 3.910 50 0 IHAARN O=C(C[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000008869970 569480468 /nfs/dbraw/zinc/48/04/68/569480468.db2.gz JCWHCTLMSYXTAF-NRFANRHFSA-N 0 0 437.517 3.565 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 ZINC000008879666 569481374 /nfs/dbraw/zinc/48/13/74/569481374.db2.gz VXQGHQRTMLUYOU-UHFFFAOYSA-N 0 0 439.581 3.964 50 0 IHAARN CC(C)(C)c1ccc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)cc1 ZINC000039566512 569481748 /nfs/dbraw/zinc/48/17/48/569481748.db2.gz JWKMWVNYWWYCQC-UHFFFAOYSA-N 0 0 430.551 3.953 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000039975750 569482132 /nfs/dbraw/zinc/48/21/32/569482132.db2.gz SBNVPUJJNMAACP-NRFANRHFSA-N 0 0 437.496 3.742 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000039994096 569482365 /nfs/dbraw/zinc/48/23/65/569482365.db2.gz GSAIHPCQFCETBC-UHFFFAOYSA-N 0 0 437.565 3.684 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040005351 569482429 /nfs/dbraw/zinc/48/24/29/569482429.db2.gz NGANSOGNBRQJHC-CYBMUJFWSA-N 0 0 445.463 3.711 50 0 IHAARN Cc1cc(NC(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)no1 ZINC000040013142 569482581 /nfs/dbraw/zinc/48/25/81/569482581.db2.gz OFQSHMJNSLWPRH-UHFFFAOYSA-N 0 0 429.480 3.606 50 0 IHAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000040017909 569482631 /nfs/dbraw/zinc/48/26/31/569482631.db2.gz VUJHHPYZKFWKPZ-OAHLLOKOSA-N 0 0 442.589 3.752 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000040025150 569482818 /nfs/dbraw/zinc/48/28/18/569482818.db2.gz YZEDHDZFPRQPNU-UHFFFAOYSA-N 0 0 432.459 3.990 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000008882955 569482972 /nfs/dbraw/zinc/48/29/72/569482972.db2.gz MIFMNKAIWHBPKQ-LIRRHRJNSA-N 0 0 437.323 3.704 50 0 IHAARN Cc1[nH]c(=S)sc1CC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000040037497 569483276 /nfs/dbraw/zinc/48/32/76/569483276.db2.gz HKXLOYZHYAHTGG-UHFFFAOYSA-N 0 0 430.624 3.751 50 0 IHAARN Cc1ccccc1-n1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000008893006 569483607 /nfs/dbraw/zinc/48/36/07/569483607.db2.gz UQMFIWFFEHQOAR-GOSISDBHSA-N 0 0 441.944 3.938 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008894724 569483757 /nfs/dbraw/zinc/48/37/57/569483757.db2.gz OPIYTSIOYLYJMK-SFHVURJKSA-N 0 0 441.487 3.522 50 0 IHAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008895569 569483808 /nfs/dbraw/zinc/48/38/08/569483808.db2.gz AATYVJNCGZTESZ-OAHLLOKOSA-N 0 0 437.543 3.803 50 0 IHAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000040056803 569484538 /nfs/dbraw/zinc/48/45/38/569484538.db2.gz GFEHCPMXUNLSGB-HNNXBMFYSA-N 0 0 441.528 3.737 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)CCCN2C(=O)c4ccccc4C2=O)CSC3)cc1 ZINC000008909928 569484762 /nfs/dbraw/zinc/48/47/62/569484762.db2.gz XHUCBYLVMFSDMB-UHFFFAOYSA-N 0 0 446.532 3.942 50 0 IHAARN Cc1ccc(-c2nc(C(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)cs2)cc1 ZINC000040069394 569485350 /nfs/dbraw/zinc/48/53/50/569485350.db2.gz BCRVPMSGGAAYDH-UHFFFAOYSA-N 0 0 429.567 3.735 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1C ZINC000040071831 569485836 /nfs/dbraw/zinc/48/58/36/569485836.db2.gz HPWCYCUSSWCYDJ-KRWDZBQOSA-N 0 0 444.553 3.708 50 0 IHAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008917295 569486004 /nfs/dbraw/zinc/48/60/04/569486004.db2.gz OIIXVYQBYXKKJV-MRXNPFEDSA-N 0 0 430.254 3.835 50 0 IHAARN COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(C)cc2)ncc1Cl ZINC000008917466 569486063 /nfs/dbraw/zinc/48/60/63/569486063.db2.gz YRLKBSVBFBRONT-UHFFFAOYSA-N 0 0 431.901 3.673 50 0 IHAARN CC(=O)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918614 569486360 /nfs/dbraw/zinc/48/63/60/569486360.db2.gz WXVQQCGVNGJNII-KALPRAJFSA-N 0 0 449.510 3.952 50 0 biogenic IHAARN Cc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)c(C)c1 ZINC000040083201 569486659 /nfs/dbraw/zinc/48/66/59/569486659.db2.gz SYIAFCJDLZWISU-UHFFFAOYSA-N 0 0 427.570 3.582 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O ZINC000040088989 569486983 /nfs/dbraw/zinc/48/69/83/569486983.db2.gz NLASMCQYOIYNML-OAHLLOKOSA-N 0 0 439.903 3.538 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000008924515 569487184 /nfs/dbraw/zinc/48/71/84/569487184.db2.gz RGSOAEFFMYQUML-UHFFFAOYSA-N 0 0 437.569 3.597 50 0 IHAARN NC(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 ZINC000040093432 569487464 /nfs/dbraw/zinc/48/74/64/569487464.db2.gz JRDKZJIIKPZPEP-UHFFFAOYSA-N 0 0 426.270 3.665 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)NCc1ccccc1 ZINC000008933448 569487803 /nfs/dbraw/zinc/48/78/03/569487803.db2.gz OSOWRLYWYFOZSE-UHFFFAOYSA-N 0 0 440.478 3.855 50 0 IHAARN COc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2)cc1 ZINC000008935674 569487995 /nfs/dbraw/zinc/48/79/95/569487995.db2.gz INAVBOBNVMFKSI-HSZRJFAPSA-N 0 0 425.506 3.924 50 0 IHAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000040110565 569488728 /nfs/dbraw/zinc/48/87/28/569488728.db2.gz OYNPIQCPQFMBEB-UHFFFAOYSA-N 0 0 428.448 3.965 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)o2)cc1 ZINC000008944036 569488839 /nfs/dbraw/zinc/48/88/39/569488839.db2.gz CGBGOIKNBSPDNA-UHFFFAOYSA-N 0 0 440.525 3.633 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2c(F)cccc2Cl)c(N2CCCCC2)n1 ZINC000008945817 569489092 /nfs/dbraw/zinc/48/90/92/569489092.db2.gz CDMDZRYTOWGTHF-UHFFFAOYSA-N 0 0 448.955 3.761 50 0 IHAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nc(-c3ccccn3)cs2)cs1 ZINC000040129211 569489811 /nfs/dbraw/zinc/48/98/11/569489811.db2.gz KNDRWFRFCJSXPJ-UHFFFAOYSA-N 0 0 425.495 3.997 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(C)cc1C)nn(CC(=O)Nc1ccc3c(c1)OCO3)c2=O ZINC000008955782 569490162 /nfs/dbraw/zinc/49/01/62/569490162.db2.gz LBCMONUDKXIWGX-UHFFFAOYSA-N 0 0 448.504 3.813 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c1 ZINC000008955995 569490172 /nfs/dbraw/zinc/49/01/72/569490172.db2.gz SIBJMNCWROVYBF-UHFFFAOYSA-N 0 0 442.522 3.546 50 0 IHAARN NC(=O)c1cc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl ZINC000040132834 569490423 /nfs/dbraw/zinc/49/04/23/569490423.db2.gz LGUXJXZCBREDLL-NSHDSACASA-N 0 0 426.826 3.708 50 0 IHAARN CCCCOc1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1OC ZINC000040134285 569490480 /nfs/dbraw/zinc/49/04/80/569490480.db2.gz GJQUJXDKUUFMJE-UHFFFAOYSA-N 0 0 425.934 3.861 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2C1=O ZINC000040134904 569490613 /nfs/dbraw/zinc/49/06/13/569490613.db2.gz JYWDOGJAYUMBRD-UHFFFAOYSA-N 0 0 432.480 3.648 50 0 IHAARN COc1cccc(CNC(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008965212 569491338 /nfs/dbraw/zinc/49/13/38/569491338.db2.gz BWYLAEXGVZSLAG-GOSISDBHSA-N 0 0 430.508 3.690 50 0 IHAARN CC[C@H](C(=O)NCCCN(CC)c1cccc(C)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965059 569491352 /nfs/dbraw/zinc/49/13/52/569491352.db2.gz TWVTUOVDUUMNNR-HXUWFJFHSA-N 0 0 449.555 3.843 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c1CCCCC2)N1CCN(C(=O)c2ccccc2)CC1 ZINC000040140825 569491636 /nfs/dbraw/zinc/49/16/36/569491636.db2.gz QZMRWHJHJVKJFG-UHFFFAOYSA-N 0 0 428.536 3.739 50 0 IHAARN O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000008966080 569491686 /nfs/dbraw/zinc/49/16/86/569491686.db2.gz BNOFSBGRIITTEN-FQEVSTJZSA-N 0 0 448.870 3.665 50 0 IHAARN O=C(CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000040149535 569492543 /nfs/dbraw/zinc/49/25/43/569492543.db2.gz FRMSFYVUHUNFMB-RUZDIDTESA-N 0 0 442.519 3.722 50 0 IHAARN Cc1nc2ccccc2nc1S(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000040152229 569493438 /nfs/dbraw/zinc/49/34/38/569493438.db2.gz PNHFUTNOMUZMQP-LLVKDONJSA-N 0 0 438.336 3.896 50 0 IHAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000040156850 569494183 /nfs/dbraw/zinc/49/41/83/569494183.db2.gz JDFILYCUNCHMFQ-QFIPXVFZSA-N 0 0 427.508 3.696 50 0 IHAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n1C ZINC000008981175 569494474 /nfs/dbraw/zinc/49/44/74/569494474.db2.gz GYXGLYJZMZGQJM-AWEZNQCLSA-N 0 0 436.537 3.763 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000008985167 569494746 /nfs/dbraw/zinc/49/47/46/569494746.db2.gz QLLGHOQSOKIJMQ-NSHDSACASA-N 0 0 445.342 3.996 50 0 IHAARN CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2cccc(Br)c2)CC1 ZINC000008989739 569494950 /nfs/dbraw/zinc/49/49/50/569494950.db2.gz YTYVSHWYSFDXTP-UHFFFAOYSA-N 0 0 445.357 3.985 50 0 IHAARN COc1cc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc(OC)c1 ZINC000008990177 569495014 /nfs/dbraw/zinc/49/50/14/569495014.db2.gz JVHCISVJJYXOJV-SFHVURJKSA-N 0 0 435.524 3.995 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccccn1 ZINC000008992497 569495346 /nfs/dbraw/zinc/49/53/46/569495346.db2.gz JMCHSTHUEOHSGV-FQEVSTJZSA-N 0 0 443.322 3.913 50 0 IHAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000008992720 569495365 /nfs/dbraw/zinc/49/53/65/569495365.db2.gz FKBQPWYWUKOMRT-OAQYLSRUSA-N 0 0 438.553 3.715 50 0 IHAARN COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 ZINC000008993663 569495514 /nfs/dbraw/zinc/49/55/14/569495514.db2.gz GYRIRRQIMAUWTC-MOPGFXCFSA-N 0 0 436.986 3.666 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009005294 569496121 /nfs/dbraw/zinc/49/61/21/569496121.db2.gz VXYLLLUTOFFHSX-OAQYLSRUSA-N 0 0 444.578 3.500 50 0 IHAARN Cn1c2nc(SCc3ccc4ccccc4c3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000009013175 569496596 /nfs/dbraw/zinc/49/65/96/569496596.db2.gz LIYLDHANWQRADI-UHFFFAOYSA-N 0 0 428.517 3.917 50 0 IHAARN Cn1c2nc3n(cc(-c4ccccc4)n3CC34CC5CC(CC(C5)C3)C4)c2c(=O)n(C)c1=O ZINC000009019395 569496917 /nfs/dbraw/zinc/49/69/17/569496917.db2.gz LNLLROHIKXCTDO-UHFFFAOYSA-N 0 0 443.551 3.570 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3cc(C)c(Br)c(C)c3)n2)cc1 ZINC000009031571 569497113 /nfs/dbraw/zinc/49/71/13/569497113.db2.gz AVQKXPDLJJPAES-UHFFFAOYSA-N 0 0 446.301 3.820 50 0 IHAARN COc1ccc(C2(CNC(=O)C(=O)N[C@@H](C)CCc3ccccc3)CCCC2)cc1OC ZINC000009033164 569497169 /nfs/dbraw/zinc/49/71/69/569497169.db2.gz VHCDTJKKEKJWJX-IBGZPJMESA-N 0 0 438.568 3.769 50 0 biogenic IHAARN COc1cc(OC)cc(-c2nnc3sc([C@H](C)n4cc(Br)c(C)n4)nn32)c1 ZINC000040266919 569497255 /nfs/dbraw/zinc/49/72/55/569497255.db2.gz QQDDYJJLIBEGMT-JTQLQIEISA-N 0 0 449.334 3.747 50 0 IHAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(=O)N2 ZINC000040283540 569497852 /nfs/dbraw/zinc/49/78/52/569497852.db2.gz LJFNGPUBISPMNM-LBPRGKRZSA-N 0 0 429.362 3.641 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000040313066 569498932 /nfs/dbraw/zinc/49/89/32/569498932.db2.gz GSDAULLTINYRGA-SFHVURJKSA-N 0 0 445.537 3.808 50 0 biogenic IHAARN Cc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)n2N)cc1 ZINC000009056257 569498967 /nfs/dbraw/zinc/49/89/67/569498967.db2.gz VYUBUNOMDWZXNI-AWEZNQCLSA-N 0 0 438.582 3.889 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056213 569498989 /nfs/dbraw/zinc/49/89/89/569498989.db2.gz SECPWYDAFSKXHA-UHFFFAOYSA-N 0 0 433.493 3.678 50 0 IHAARN O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC(c1ccccc1)c1ccccc1 ZINC000009065892 569499704 /nfs/dbraw/zinc/49/97/04/569499704.db2.gz XYWOMBVFAQRVDI-GOSISDBHSA-N 0 0 443.503 3.857 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000009094861 569501256 /nfs/dbraw/zinc/50/12/56/569501256.db2.gz UCBQBXRTLMDTLV-QFIPXVFZSA-N 0 0 438.549 3.922 50 0 IHAARN CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000009098062 569501546 /nfs/dbraw/zinc/50/15/46/569501546.db2.gz XSQNKPKEZXPVJJ-JTSKRJEESA-N 0 0 435.524 3.796 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000245258105 569501688 /nfs/dbraw/zinc/50/16/88/569501688.db2.gz JNMFLVDQBJNKSV-UKEXBGPQSA-N 0 0 434.558 3.611 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101617 569501771 /nfs/dbraw/zinc/50/17/71/569501771.db2.gz FVIIWPYKIZIXCM-HXUWFJFHSA-N 0 0 427.451 3.697 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCc4ccccc4)[C@H]3C2)c1 ZINC000245279457 569502082 /nfs/dbraw/zinc/50/20/82/569502082.db2.gz FUGGKNAXBBYLOD-AHKZPQOWSA-N 0 0 441.575 3.922 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)c(C)c1 ZINC000009116509 569502913 /nfs/dbraw/zinc/50/29/13/569502913.db2.gz UZPJSFGGZYOCAR-UHFFFAOYSA-N 0 0 443.459 3.806 50 0 IHAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(OCC)cc2)c1=O ZINC000009116530 569503007 /nfs/dbraw/zinc/50/30/07/569503007.db2.gz ZMFXJEFEDPUNDN-UHFFFAOYSA-N 0 0 435.480 3.747 50 0 IHAARN Cc1cccc(N2CC[N@H+]([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)C[C@H]2C)c1 ZINC000245312996 569503024 /nfs/dbraw/zinc/50/30/24/569503024.db2.gz YVBYTYWPSWCLGU-AGILITTLSA-N 0 0 427.614 3.795 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCCCOC(C)C)CC4)sc3n2)cc1 ZINC000009117313 569503120 /nfs/dbraw/zinc/50/31/20/569503120.db2.gz FCEONFWVDBRTRN-UHFFFAOYSA-N 0 0 441.601 3.914 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccco5)C4)sc3n2)cc1 ZINC000009117430 569503152 /nfs/dbraw/zinc/50/31/52/569503152.db2.gz MOSBTZNHQMZCAX-MRXNPFEDSA-N 0 0 437.525 3.592 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 ZINC000009118355 569503307 /nfs/dbraw/zinc/50/33/07/569503307.db2.gz QEVQYZXZUFYFBQ-UHFFFAOYSA-N 0 0 437.565 3.848 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000009124757 569504431 /nfs/dbraw/zinc/50/44/31/569504431.db2.gz VBSNCPQZFLBSLM-UHFFFAOYSA-N 0 0 444.553 3.664 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000009126224 569504892 /nfs/dbraw/zinc/50/48/92/569504892.db2.gz JAXOUQKYHQJIGI-UHFFFAOYSA-N 0 0 426.476 3.731 50 0 IHAARN O=C(OCc1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009128473 569505466 /nfs/dbraw/zinc/50/54/66/569505466.db2.gz JXWGXLPSGHKOJF-UHFFFAOYSA-N 0 0 428.535 3.952 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)NCc3ccc(C)cc3)c(Br)cc2C[C@H]1C ZINC000040450619 569506341 /nfs/dbraw/zinc/50/63/41/569506341.db2.gz QIGCTMDKYRQLNE-CYBMUJFWSA-N 0 0 437.359 3.534 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)NCc3ccc(C)cc3)c(Br)cc2C[C@@H]1C ZINC000040450618 569506343 /nfs/dbraw/zinc/50/63/43/569506343.db2.gz QIGCTMDKYRQLNE-ZDUSSCGKSA-N 0 0 437.359 3.534 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3ncnn32)ccc1O ZINC000040485084 569506814 /nfs/dbraw/zinc/50/68/14/569506814.db2.gz PSKSQFXSYXWXOR-OAQYLSRUSA-N 0 0 435.484 3.709 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000009131647 569506942 /nfs/dbraw/zinc/50/69/42/569506942.db2.gz UKEJXXUJSNMWTK-AWEZNQCLSA-N 0 0 425.441 3.932 50 0 IHAARN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1ccccc1F ZINC000009152060 569507672 /nfs/dbraw/zinc/50/76/72/569507672.db2.gz DJQHJDYGVWCHHN-MRXNPFEDSA-N 0 0 446.529 3.540 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152890 569507929 /nfs/dbraw/zinc/50/79/29/569507929.db2.gz YSNAGWUILUYHGZ-QWHCGFSZSA-N 0 0 436.530 3.758 50 0 IHAARN Cn1c2ccccc2c(C(=O)COC(=O)c2ccccc2-n2cnnn2)c1-c1ccccc1 ZINC000009155426 569508252 /nfs/dbraw/zinc/50/82/52/569508252.db2.gz OODVNQKBGNZOFQ-UHFFFAOYSA-N 0 0 437.459 3.861 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009156488 569508364 /nfs/dbraw/zinc/50/83/64/569508364.db2.gz XRUNMXNEEJSOPC-CQSZACIVSA-N 0 0 435.293 3.608 50 0 IHAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000009169965 569509228 /nfs/dbraw/zinc/50/92/28/569509228.db2.gz XCRYEYXMFZSQOZ-NSHDSACASA-N 0 0 430.309 3.672 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000009184159 569509915 /nfs/dbraw/zinc/50/99/15/569509915.db2.gz BEYZFFIZPKDPJF-UHFFFAOYSA-N 0 0 433.917 3.584 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009184947 569510014 /nfs/dbraw/zinc/51/00/14/569510014.db2.gz WYNFSGMLPGCVNH-FQEVSTJZSA-N 0 0 433.545 3.718 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000009191194 569510671 /nfs/dbraw/zinc/51/06/71/569510671.db2.gz HDNOEZFXVUVNKJ-KRWDZBQOSA-N 0 0 442.364 3.897 50 0 IHAARN Cc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4C)c(=O)[nH]3)CC2)cc1 ZINC000009195505 569510980 /nfs/dbraw/zinc/51/09/80/569510980.db2.gz NCSAFBFMGHKTAK-UHFFFAOYSA-N 0 0 442.523 3.612 50 0 IHAARN O=S(=O)(c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)nc1)N1CCCCC1 ZINC000009207560 569511451 /nfs/dbraw/zinc/51/14/51/569511451.db2.gz QNUUAFGTVKBRFP-UHFFFAOYSA-N 0 0 441.582 3.866 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)c(OC)c1 ZINC000009218135 569512389 /nfs/dbraw/zinc/51/23/89/569512389.db2.gz VAVMFXFKJJNUNS-UHFFFAOYSA-N 0 0 431.901 3.849 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000009219822 569512460 /nfs/dbraw/zinc/51/24/60/569512460.db2.gz OYNCBTLZHOFFCG-UHFFFAOYSA-N 0 0 446.482 3.852 50 0 IHAARN Cc1cccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)c1 ZINC000009220826 569512609 /nfs/dbraw/zinc/51/26/09/569512609.db2.gz BODOPHWNOIWCRC-INIZCTEOSA-N 0 0 448.552 3.502 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009226436 569513312 /nfs/dbraw/zinc/51/33/12/569513312.db2.gz PZPXLTBESKNVFX-CABCVRRESA-N 0 0 432.567 3.785 50 0 IHAARN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000009232929 569513773 /nfs/dbraw/zinc/51/37/73/569513773.db2.gz JTDPHKWVSCOHKX-UHFFFAOYSA-N 0 0 444.988 3.771 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N(CC)CC)cc1 ZINC000009238475 569514322 /nfs/dbraw/zinc/51/43/22/569514322.db2.gz TZJCQTPOHJIBBK-WOJBJXKFSA-N 0 0 437.569 3.971 50 0 IHAARN CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000009238714 569514398 /nfs/dbraw/zinc/51/43/98/569514398.db2.gz VGIBQERBPUDXEA-ROUUACIJSA-N 0 0 443.960 3.892 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(F)cc2)cc1 ZINC000009239314 569514523 /nfs/dbraw/zinc/51/45/23/569514523.db2.gz KHBYPWIZBOQYLB-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c[nH]nc4c3)nnc2-c2cnccn2)cc1 ZINC000009243141 569514746 /nfs/dbraw/zinc/51/47/46/569514746.db2.gz QJUMXLGBGUIVBG-UHFFFAOYSA-N 0 0 442.508 3.640 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC ZINC000009250734 569515704 /nfs/dbraw/zinc/51/57/04/569515704.db2.gz RMJDYBLQFZASES-NRFANRHFSA-N 0 0 425.510 3.981 50 0 IHAARN Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000009252666 569516035 /nfs/dbraw/zinc/51/60/35/569516035.db2.gz LPMHUBRGUGSNFA-MSOLQXFVSA-N 0 0 429.307 3.918 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009252785 569516105 /nfs/dbraw/zinc/51/61/05/569516105.db2.gz PCKQZLGJAVOVNN-CYBMUJFWSA-N 0 0 425.441 3.670 50 0 IHAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009255283 569516543 /nfs/dbraw/zinc/51/65/43/569516543.db2.gz OZMDZJFIKBPMGV-UHFFFAOYSA-N 0 0 436.512 3.998 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000009255377 569516558 /nfs/dbraw/zinc/51/65/58/569516558.db2.gz RXUGOCVONHKKPA-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccco2)cc1 ZINC000009260346 569516892 /nfs/dbraw/zinc/51/68/92/569516892.db2.gz MJFLPRMTGXUIEP-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN CSc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C ZINC000009263276 569517125 /nfs/dbraw/zinc/51/71/25/569517125.db2.gz ZDHOGMYDIMJQFI-UHFFFAOYSA-N 0 0 441.582 3.506 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)Nc1nccs1 ZINC000009264084 569517317 /nfs/dbraw/zinc/51/73/17/569517317.db2.gz PMLRZKPHVGJFMS-CQSZACIVSA-N 0 0 444.586 3.672 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cc1C ZINC000009273705 569518085 /nfs/dbraw/zinc/51/80/85/569518085.db2.gz MAOQYVJUGVJJHZ-KRWDZBQOSA-N 0 0 440.565 3.794 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccccn1 ZINC000009284156 569519032 /nfs/dbraw/zinc/51/90/32/569519032.db2.gz MUXMWIPCMVZPPA-UHFFFAOYSA-N 0 0 435.549 3.977 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)CCc4ccccc4)nc(C)n3n2)cc1 ZINC000009287466 569519289 /nfs/dbraw/zinc/51/92/89/569519289.db2.gz SASVNXULWKLGEF-GOSISDBHSA-N 0 0 443.551 3.566 50 0 IHAARN Cc1ccc(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c(Br)c1 ZINC000009562315 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449.573 3.568 50 0 IHAARN COc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3ccsc3c2=O)cc1 ZINC000009474643 569539013 /nfs/dbraw/zinc/53/90/13/569539013.db2.gz ARUHNAGDRFQIPO-UHFFFAOYSA-N 0 0 448.529 3.756 50 0 IHAARN COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000009480120 569539423 /nfs/dbraw/zinc/53/94/23/569539423.db2.gz VHLWVUYEBDYEGG-JTQLQIEISA-N 0 0 427.787 3.912 50 0 IHAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1Cl ZINC000009491511 569540366 /nfs/dbraw/zinc/54/03/66/569540366.db2.gz RPSFIKZWQUCDRO-UHFFFAOYSA-N 0 0 440.725 3.620 50 0 IHAARN Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000009492453 569540587 /nfs/dbraw/zinc/54/05/87/569540587.db2.gz SCCZFVOZOSQWAL-KRWDZBQOSA-N 0 0 425.934 3.616 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1OCC(C)C ZINC000009499525 569541445 /nfs/dbraw/zinc/54/14/45/569541445.db2.gz ZIMKWCAQBFNFDP-UHFFFAOYSA-N 0 0 434.558 3.931 50 0 IHAARN CNC(=O)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000009502411 569541663 /nfs/dbraw/zinc/54/16/63/569541663.db2.gz RIIFFRRPZMYFNR-UHFFFAOYSA-N 0 0 425.492 3.566 50 0 IHAARN CCOc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009506930 569541876 /nfs/dbraw/zinc/54/18/76/569541876.db2.gz PPNSQDZXIQWKFI-UHFFFAOYSA-N 0 0 445.537 3.690 50 0 IHAARN CCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 ZINC000009507021 569541921 /nfs/dbraw/zinc/54/19/21/569541921.db2.gz ZZTAWGDQJIIQTG-UHFFFAOYSA-N 0 0 430.555 3.958 50 0 IHAARN COc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009507618 569542079 /nfs/dbraw/zinc/54/20/79/569542079.db2.gz YQHHLNZQQULJRB-UHFFFAOYSA-N 0 0 426.419 3.921 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCC2 ZINC000009507806 569542131 /nfs/dbraw/zinc/54/21/31/569542131.db2.gz MPTUVKRFMWWHJP-UHFFFAOYSA-N 0 0 441.538 3.668 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009508350 569542289 /nfs/dbraw/zinc/54/22/89/569542289.db2.gz WXJQSJRHGMQCGL-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)C(C)C)cc1 ZINC000009510530 569542770 /nfs/dbraw/zinc/54/27/70/569542770.db2.gz ZZBSPPLURDAZQC-NRFANRHFSA-N 0 0 443.521 3.627 50 0 IHAARN O=C(NCc1cccc(Br)c1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770517 569542792 /nfs/dbraw/zinc/54/27/92/569542792.db2.gz IHUCSHHPELDCMH-AWEZNQCLSA-N 0 0 431.359 3.987 50 0 IHAARN Cc1csc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)n1 ZINC000009516585 569543517 /nfs/dbraw/zinc/54/35/17/569543517.db2.gz BABOCNHMVJACBN-UHFFFAOYSA-N 0 0 439.921 3.975 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)n(-c2ccccc2)n1 ZINC000009516399 569543436 /nfs/dbraw/zinc/54/34/36/569543436.db2.gz OIHQFLVZVQQHEB-UHFFFAOYSA-N 0 0 431.525 3.900 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000009517101 569543564 /nfs/dbraw/zinc/54/35/64/569543564.db2.gz BBGZSDMLXBKWKK-OAHLLOKOSA-N 0 0 446.912 3.601 50 0 IHAARN COc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)COc3ccccc3)cc2)cc1 ZINC000009517186 569543587 /nfs/dbraw/zinc/54/35/87/569543587.db2.gz WGIWUVKFMAYFIO-UHFFFAOYSA-N 0 0 443.459 3.748 50 0 IHAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000009517747 569543763 /nfs/dbraw/zinc/54/37/63/569543763.db2.gz DPEYQXQRSUWNCL-UHFFFAOYSA-N 0 0 447.520 3.934 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C ZINC000009517983 569543843 /nfs/dbraw/zinc/54/38/43/569543843.db2.gz OTCRHLHITVVLJN-INIZCTEOSA-N 0 0 439.566 3.834 50 0 IHAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522441 569544424 /nfs/dbraw/zinc/54/44/24/569544424.db2.gz HENABPWVWSGRMU-HNNXBMFYSA-N 0 0 426.494 3.788 50 0 IHAARN O=C(CSc1ncc(CO)n1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000009529126 569544791 /nfs/dbraw/zinc/54/47/91/569544791.db2.gz UFEWSWOWBMWMHJ-UHFFFAOYSA-N 0 0 432.343 3.917 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000009532584 569545380 /nfs/dbraw/zinc/54/53/80/569545380.db2.gz FYDAYUIKOPIWFJ-HFJWLAOPSA-N 0 0 429.520 3.744 50 0 IHAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C)c4C)n3N)n[nH]2)cc1 ZINC000009540851 569545814 /nfs/dbraw/zinc/54/58/14/569545814.db2.gz UHDGNPRXIIWXSU-UHFFFAOYSA-N 0 0 433.541 3.705 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3F)c2)cc1 ZINC000009545247 569546069 /nfs/dbraw/zinc/54/60/69/569546069.db2.gz QGEQISMEKOBTGP-UHFFFAOYSA-N 0 0 428.485 3.589 50 0 IHAARN Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 ZINC000009545823 569546158 /nfs/dbraw/zinc/54/61/58/569546158.db2.gz XHZDOQYIEDBKER-SANMLTNESA-N 0 0 427.504 3.932 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2CC)c1 ZINC000009546055 569546179 /nfs/dbraw/zinc/54/61/79/569546179.db2.gz CMPQKYQQGLQYQA-UHFFFAOYSA-N 0 0 446.598 3.818 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 ZINC000009547924 569546457 /nfs/dbraw/zinc/54/64/57/569546457.db2.gz JPGPDXFRJUZKBH-UHFFFAOYSA-N 0 0 440.297 3.870 50 0 IHAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009548802 569546474 /nfs/dbraw/zinc/54/64/74/569546474.db2.gz VMBVELCWSZZTFW-UHFFFAOYSA-N 0 0 429.476 3.974 50 0 IHAARN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559483 569546985 /nfs/dbraw/zinc/54/69/85/569546985.db2.gz XNKHGXDPQNUSMF-ZDUSSCGKSA-N 0 0 443.388 3.858 50 0 IHAARN CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000009559531 569546999 /nfs/dbraw/zinc/54/69/99/569546999.db2.gz OGZZPFPTVDFSPK-UHFFFAOYSA-N 0 0 431.377 3.893 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)c4c(F)cccc4F)n3n2)cc1OC ZINC000009568899 569547428 /nfs/dbraw/zinc/54/74/28/569547428.db2.gz NVAHRYCSNRBRLK-UHFFFAOYSA-N 0 0 444.463 3.726 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)COc4ccc(Cl)cc4)n3n2)cc1 ZINC000009568955 569547509 /nfs/dbraw/zinc/54/75/09/569547509.db2.gz BZFNRFVLMBSIST-UHFFFAOYSA-N 0 0 442.928 3.858 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c(C)c1 ZINC000009569010 569547532 /nfs/dbraw/zinc/54/75/32/569547532.db2.gz VPJDBFKXEMNZSS-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)/C=C/c4ccc5c(c4)OCO5)n3n2)c1 ZINC000009569029 569547544 /nfs/dbraw/zinc/54/75/44/569547544.db2.gz PKNIUZPHEZTVNN-SOFGYWHQSA-N 0 0 432.505 3.867 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)c(=O)n(-c2ccccc2)n1C ZINC000009575463 569547933 /nfs/dbraw/zinc/54/79/33/569547933.db2.gz DVZALXACYORLGL-INIZCTEOSA-N 0 0 439.537 3.765 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009581682 569549170 /nfs/dbraw/zinc/54/91/70/569549170.db2.gz HYJPFYACUTXPFZ-AKJBCIBTSA-N 0 0 445.519 3.956 50 0 IHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccccc1C(=O)NC1CC1 ZINC000009583992 569549330 /nfs/dbraw/zinc/54/93/30/569549330.db2.gz OIKGQVZJBHAXSK-UHFFFAOYSA-N 0 0 443.503 3.801 50 0 IHAARN COCCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009584249 569549365 /nfs/dbraw/zinc/54/93/65/569549365.db2.gz TWUZMKAWWKFPNX-UHFFFAOYSA-N 0 0 430.961 3.962 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=C(Cl)CCCC1 ZINC000009584668 569549437 /nfs/dbraw/zinc/54/94/37/569549437.db2.gz SFGCSWMZOZTAIE-UHFFFAOYSA-N 0 0 442.965 3.500 50 0 IHAARN COc1cc(CN(C)C(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(F)F ZINC000009584946 569549505 /nfs/dbraw/zinc/54/95/05/569549505.db2.gz LPADJQFECHNGAD-UHFFFAOYSA-N 0 0 426.847 3.729 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc2-c2ccncc2)cc1C ZINC000009587251 569549808 /nfs/dbraw/zinc/54/98/08/569549808.db2.gz DJQDVIIUBNNAQK-UHFFFAOYSA-N 0 0 438.557 3.663 50 0 IHAARN Cc1cccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1C ZINC000009587804 569549820 /nfs/dbraw/zinc/54/98/20/569549820.db2.gz ONAFNAYCWPKCGL-UHFFFAOYSA-N 0 0 444.553 3.582 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 ZINC000070656024 569550115 /nfs/dbraw/zinc/55/01/15/569550115.db2.gz NFIACDQQUBLYIH-ZDUSSCGKSA-N 0 0 439.932 3.781 50 0 IHAARN Cc1cc(C)n2c(CNC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)nnc2n1 ZINC000009592864 569550326 /nfs/dbraw/zinc/55/03/26/569550326.db2.gz XZKSWBWRIZJRIK-UHFFFAOYSA-N 0 0 429.509 3.585 50 0 IHAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1nc(-c2ccccc2)cs1 ZINC000009593496 569550402 /nfs/dbraw/zinc/55/04/02/569550402.db2.gz BKPXTSKWQXDJQK-CYBMUJFWSA-N 0 0 433.584 3.983 50 0 IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H]4CCOC(C)(C)C4)c12)OC(C)(C)CC3 ZINC000070666435 569550626 /nfs/dbraw/zinc/55/06/26/569550626.db2.gz BPWXANDMCYDCCJ-OAHLLOKOSA-N 0 0 429.513 3.658 50 0 biogenic IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H]4CCOC(C)(C)C4)c12)OC(C)(C)CC3 ZINC000070666436 569550653 /nfs/dbraw/zinc/55/06/53/569550653.db2.gz BPWXANDMCYDCCJ-HNNXBMFYSA-N 0 0 429.513 3.658 50 0 biogenic IHAARN CCOC(=O)c1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000009597742 569550972 /nfs/dbraw/zinc/55/09/72/569550972.db2.gz PMIWOVRBYBZSBJ-IBGZPJMESA-N 0 0 444.534 3.583 50 0 IHAARN COc1ccc(NC(=O)Cn2c3sc(C)c(C)c3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000009599111 569551144 /nfs/dbraw/zinc/55/11/44/569551144.db2.gz MSSHKMUAFUKJBP-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NCc2ccc(F)cc2)s1 ZINC000009600167 569551414 /nfs/dbraw/zinc/55/14/14/569551414.db2.gz PKQJWXRUWLTXPH-UHFFFAOYSA-N 0 0 430.530 3.657 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)cc1 ZINC000009600188 569551458 /nfs/dbraw/zinc/55/14/58/569551458.db2.gz SUVURWTWZCGFHW-UHFFFAOYSA-N 0 0 444.513 3.792 50 0 IHAARN Cc1ccccc1NC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009607975 569552093 /nfs/dbraw/zinc/55/20/93/569552093.db2.gz FJPCDQAHIWMDEZ-UHFFFAOYSA-N 0 0 444.582 3.723 50 0 IHAARN CCOC(=O)[C@@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)c(C)c2)c1C ZINC000009610262 569552536 /nfs/dbraw/zinc/55/25/36/569552536.db2.gz RFTRDZWNBVPPSY-LJQANCHMSA-N 0 0 436.556 3.963 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)CC1 ZINC000009611126 569552737 /nfs/dbraw/zinc/55/27/37/569552737.db2.gz CRTWZQSTUBGRFC-UHFFFAOYSA-N 0 0 427.526 3.587 50 0 IHAARN COc1ccc(Cn2c(CCC(=O)NCc3ccccc3OC)nc3cccnc32)cc1 ZINC000009612150 569552794 /nfs/dbraw/zinc/55/27/94/569552794.db2.gz YWCVTZNAIRYJKS-UHFFFAOYSA-N 0 0 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440.927 3.698 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=Cc4cc(Cl)ccc4OC3)ccc21 ZINC000017735979 517355509 /nfs/dbraw/zinc/35/55/09/517355509.db2.gz UTHVUDQSZLHRQW-CYBMUJFWSA-N 0 0 425.868 3.839 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(COc3cccc(C)c3)o1)OCO2 ZINC000012738944 518294963 /nfs/dbraw/zinc/29/49/63/518294963.db2.gz ZFUJGZZCSWCNDW-UHFFFAOYSA-N 0 0 441.465 3.619 50 0 IHAARN CC(=O)c1ccc(N2CCN(CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)c(F)c1 ZINC000012516712 518349118 /nfs/dbraw/zinc/34/91/18/518349118.db2.gz IAAHUXPTKUUSKR-UHFFFAOYSA-N 0 0 449.526 3.972 50 0 IHAARN CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000012787745 518392264 /nfs/dbraw/zinc/39/22/64/518392264.db2.gz ZRSLRBZNJSPRKV-IAGOWNOFSA-N 0 0 444.553 3.858 50 0 IHAARN C/C=C(\C)C(=O)N1CCN(c2nc3cc(Cl)c(Cl)cc3nc2C(=O)OCC)CC1 ZINC000022670397 518482733 /nfs/dbraw/zinc/48/27/33/518482733.db2.gz ANWXQTZPIHYKRA-UUILKARUSA-N 0 0 437.327 3.728 50 0 IHAARN CC(C)(C)C(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012513886 518555475 /nfs/dbraw/zinc/55/54/75/518555475.db2.gz LSSQYGCQQAQTSP-UHFFFAOYSA-N 0 0 426.922 3.593 50 0 IHAARN CC(C)(C)OC(=O)Oc1ccc(I)nc1I ZINC000035270433 518844727 /nfs/dbraw/zinc/84/47/27/518844727.db2.gz OTQYIMVKIVIVNJ-UHFFFAOYSA-N 0 0 447.010 3.605 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc(C(C)C)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000036024858 519472075 /nfs/dbraw/zinc/47/20/75/519472075.db2.gz SUHNFVCVTQLSHY-UHFFFAOYSA-N 0 0 426.952 3.897 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2ccccc2S(C)(=O)=O)cs1)c1ccccc1F ZINC000012728844 519479444 /nfs/dbraw/zinc/47/94/44/519479444.db2.gz ISJBTLAIUVDLPP-UHFFFAOYSA-N 0 0 448.497 3.727 50 0 IHAARN CC(=O)N1CCC(N(CCCOC(C)C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000020686394 519511125 /nfs/dbraw/zinc/51/11/25/519511125.db2.gz LYGYQGUKZKFNBW-UHFFFAOYSA-N 0 0 438.634 3.801 50 0 IHAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)c1 ZINC000020468357 519526808 /nfs/dbraw/zinc/52/68/08/519526808.db2.gz QOOJSRHYECGGEG-MRXNPFEDSA-N 0 0 449.536 3.905 50 0 IHAARN CC(=O)N1c2ccccc2[C@]2(S[C@H](C)C(=O)N2c2ccc(Br)cc2)C1=O ZINC000012416878 519640906 /nfs/dbraw/zinc/64/09/06/519640906.db2.gz DWWFVFVURDLLJO-WYRIXSBYSA-N 0 0 431.311 3.664 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3cc(C)ccc3C)c2)S1 ZINC000020896512 519643379 /nfs/dbraw/zinc/64/33/79/519643379.db2.gz CQKZMYIRQBZFSZ-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C)cc3C)cc2)S1 ZINC000020895572 519643466 /nfs/dbraw/zinc/64/34/66/519643466.db2.gz FKIUOGRAZHJEHV-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021858506 519661440 /nfs/dbraw/zinc/66/14/40/519661440.db2.gz BTMVACPKQKCQDB-SANMLTNESA-N 0 0 447.535 3.947 50 0 IHAARN CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012919425 519667125 /nfs/dbraw/zinc/66/71/25/519667125.db2.gz QOPIVGZNVILUEL-UHFFFAOYSA-N 0 0 447.926 3.666 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 ZINC000035527724 519709883 /nfs/dbraw/zinc/70/98/83/519709883.db2.gz ZRMONNHTAIQHML-LJQANCHMSA-N 0 0 447.495 3.673 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000014252743 519732820 /nfs/dbraw/zinc/73/28/20/519732820.db2.gz BRNANZZIYNKVSE-CYBMUJFWSA-N 0 0 425.348 3.627 50 0 IHAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065167295 519734531 /nfs/dbraw/zinc/73/45/31/519734531.db2.gz NIKULSUTNZDTTH-JOCHJYFZSA-N 0 0 439.943 3.878 50 0 IHAARN CC(=O)Nc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 ZINC000033293247 519741189 /nfs/dbraw/zinc/74/11/89/519741189.db2.gz NQHVQVTYBLYKNV-GFCCVEGCSA-N 0 0 428.901 3.900 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012999681 519798550 /nfs/dbraw/zinc/79/85/50/519798550.db2.gz YZSQYGPBGRLFPC-JOCHJYFZSA-N 0 0 439.531 3.523 50 0 IHAARN CC(C)[C@@H]1NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N(Cc2ccccc2)C1=O ZINC000036019870 519806593 /nfs/dbraw/zinc/80/65/93/519806593.db2.gz KOSBOSIYAOZDQZ-NRFANRHFSA-N 0 0 425.960 3.929 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)OCCCO2 ZINC000012789345 519818697 /nfs/dbraw/zinc/81/86/97/519818697.db2.gz APIJYOPABUXTDS-SFHVURJKSA-N 0 0 434.587 3.879 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 ZINC000020910012 519820480 /nfs/dbraw/zinc/82/04/80/519820480.db2.gz NKRDJWULRSUHKF-FQEVSTJZSA-N 0 0 427.936 3.710 50 0 IHAARN CC(C)c1ccc(Nc2nn(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(=S)s2)cc1 ZINC000012552309 519837817 /nfs/dbraw/zinc/83/78/17/519837817.db2.gz SWJQDYXAEDSZKA-GOSISDBHSA-N 0 0 447.630 3.822 50 0 IHAARN CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243309 519900360 /nfs/dbraw/zinc/90/03/60/519900360.db2.gz NHARBVXEWABNSW-UHFFFAOYSA-N 0 0 434.517 3.820 50 0 IHAARN CCNC(=S)N(CC)Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C ZINC000036040644 519902871 /nfs/dbraw/zinc/90/28/71/519902871.db2.gz QEZDRIIRAXSRBB-UHFFFAOYSA-N 0 0 436.647 3.538 50 0 IHAARN CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CCCC)sc3n2)cc1 ZINC000015771880 519914401 /nfs/dbraw/zinc/91/44/01/519914401.db2.gz PKLNGAUSYVPZJI-UHFFFAOYSA-N 0 0 442.541 3.979 50 0 IHAARN CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)Cc2cccc3ncccc23)c1 ZINC000012155201 519940086 /nfs/dbraw/zinc/94/00/86/519940086.db2.gz MBNKIHIDTOVLAP-UHFFFAOYSA-N 0 0 434.540 3.778 50 0 IHAARN CC(C)n1cnc2nc(COc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n21 ZINC000021797033 520052368 /nfs/dbraw/zinc/05/23/68/520052368.db2.gz QQZGVAYODWRMPM-UHFFFAOYSA-N 0 0 437.887 3.957 50 0 IHAARN CCCCCN(CCC(=O)N1CCN(c2ccccc2Cl)CC1)C(=O)c1cnccn1 ZINC000035819632 520159276 /nfs/dbraw/zinc/15/92/76/520159276.db2.gz LCIUCBIXKWVYSL-UHFFFAOYSA-N 0 0 443.979 3.501 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000012641375 520317378 /nfs/dbraw/zinc/31/73/78/520317378.db2.gz LWXOQAUHEDVVBX-UHFFFAOYSA-N 0 0 435.937 3.684 50 0 IHAARN CCCCN(C(=O)c1ccc(C)cc1)C1(C(=O)NCc2ccccc2)CCN(C(C)=O)CC1 ZINC000021100677 520359006 /nfs/dbraw/zinc/35/90/06/520359006.db2.gz UJMVWTQWEUPWLX-UHFFFAOYSA-N 0 0 449.595 3.935 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000012759587 520367761 /nfs/dbraw/zinc/36/77/61/520367761.db2.gz SBDKRVINWHDHCD-UHFFFAOYSA-N 0 0 433.430 3.933 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 ZINC000012411332 520390305 /nfs/dbraw/zinc/39/03/05/520390305.db2.gz YLCBHJVFRHHRLT-NRFANRHFSA-N 0 0 439.581 3.864 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000020602374 520487329 /nfs/dbraw/zinc/48/73/29/520487329.db2.gz OQGQHYIOJVJBDK-SRKIZSPNSA-N 0 0 436.533 3.515 50 0 IHAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559095 520511122 /nfs/dbraw/zinc/51/11/22/520511122.db2.gz HXIQUBYDRKFUJW-JOCHJYFZSA-N 0 0 439.581 3.874 50 0 IHAARN CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c[nH]2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012793876 520527137 /nfs/dbraw/zinc/52/71/37/520527137.db2.gz RWRDHDDMYIUFFQ-IBGZPJMESA-N 0 0 438.509 3.942 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 ZINC000012180630 520528256 /nfs/dbraw/zinc/52/82/56/520528256.db2.gz KUPDNOHSPXTQKZ-UHFFFAOYSA-N 0 0 442.990 3.942 50 0 IHAARN CC1(C)C[C@@H]([C@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 ZINC000012662042 520529424 /nfs/dbraw/zinc/52/94/24/520529424.db2.gz FFFLGCIQNOKFSM-RTWAWAEBSA-N 0 0 448.563 3.853 50 0 biogenic IHAARN CCN(CC)C(=O)c1cc(NC(=O)C(C)C)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001124 520545530 /nfs/dbraw/zinc/54/55/30/520545530.db2.gz SEIMXCYHNCFMAF-UHFFFAOYSA-N 0 0 442.604 3.602 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC1 ZINC000012385737 520557645 /nfs/dbraw/zinc/55/76/45/520557645.db2.gz SIYJAJWJRUCXTC-UHFFFAOYSA-N 0 0 445.947 3.927 50 0 IHAARN CCOC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697033 520580999 /nfs/dbraw/zinc/58/09/99/520580999.db2.gz YIMIGGQSRVTMAL-NRFANRHFSA-N 0 0 432.948 3.900 50 0 IHAARN CCOc1cc(Br)c(CC(=O)OCc2ccc(C(N)=O)cc2)cc1OCC ZINC000016547785 520649941 /nfs/dbraw/zinc/64/99/41/520649941.db2.gz UPKMQEHMRPDRQG-UHFFFAOYSA-N 0 0 436.302 3.631 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000015604701 520750254 /nfs/dbraw/zinc/75/02/54/520750254.db2.gz ALNZKVDXDJNEFE-UHFFFAOYSA-N 0 0 436.512 3.759 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)ccc1OC ZINC000009443219 520783978 /nfs/dbraw/zinc/78/39/78/520783978.db2.gz XSJAIXSVAUZKIZ-QGZVFWFLSA-N 0 0 447.553 3.771 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000012392566 520792662 /nfs/dbraw/zinc/79/26/62/520792662.db2.gz CGVUNRFAJJMPLR-UHFFFAOYSA-N 0 0 436.549 3.754 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000012788848 520805147 /nfs/dbraw/zinc/80/51/47/520805147.db2.gz RKWJEWAKLFMUAU-UHFFFAOYSA-N 0 0 434.558 3.738 50 0 IHAARN CCOc1ccc(CCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000032995329 520948452 /nfs/dbraw/zinc/94/84/52/520948452.db2.gz VVIUBIPXSHXULR-UHFFFAOYSA-N 0 0 438.553 3.871 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(C)cc4)ccc3n2CC)CC1 ZINC000020893332 520956112 /nfs/dbraw/zinc/95/61/12/520956112.db2.gz BHJNMZAPAPQVPD-UHFFFAOYSA-N 0 0 449.555 3.891 50 0 IHAARN CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012731483 520962390 /nfs/dbraw/zinc/96/23/90/520962390.db2.gz AWATYRUUMLOAAV-IBGZPJMESA-N 0 0 435.446 3.823 50 0 IHAARN CCOc1ccc(CN(CC)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1OC ZINC000022474711 520964856 /nfs/dbraw/zinc/96/48/56/520964856.db2.gz GJDMLPJNZUKTQB-KRWDZBQOSA-N 0 0 425.529 3.680 50 0 IHAARN CCOc1ccc(CN(CC)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1OC ZINC000022474713 520965463 /nfs/dbraw/zinc/96/54/63/520965463.db2.gz GJDMLPJNZUKTQB-QGZVFWFLSA-N 0 0 425.529 3.680 50 0 IHAARN CCN(CCCNC(=O)CCn1cnc2c3ccccc3[nH]c2c1=O)c1cccc(C)c1 ZINC000035424147 521017910 /nfs/dbraw/zinc/01/79/10/521017910.db2.gz FAVISMUEKMOBBW-UHFFFAOYSA-N 0 0 431.540 3.609 50 0 IHAARN CCC(=O)N1c2ccccc2[C@@]2(SCC(=O)N2c2ccc(Br)cc2)C1=O ZINC000012418287 521169030 /nfs/dbraw/zinc/16/90/30/521169030.db2.gz MQUOJYNJXUTROO-LJQANCHMSA-N 0 0 431.311 3.665 50 0 IHAARN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)C3(C)CC3)CC2)[C@H]1OCc1cccnc1 ZINC000012246999 521183476 /nfs/dbraw/zinc/18/34/76/521183476.db2.gz CDYQEVSYSPYAFK-RPWUZVMVSA-N 0 0 447.579 3.908 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cccc(C)c43)CC2)cc1 ZINC000012805806 521192889 /nfs/dbraw/zinc/19/28/89/521192889.db2.gz XRAMLQORHCYVCG-UHFFFAOYSA-N 0 0 442.581 3.774 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(C)nc12 ZINC000035924639 521217440 /nfs/dbraw/zinc/21/74/40/521217440.db2.gz FGSGLUDMRHTOLB-SFHVURJKSA-N 0 0 446.507 3.803 50 0 IHAARN CCN(C[C@@H]1CCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012716285 521220574 /nfs/dbraw/zinc/22/05/74/521220574.db2.gz ZCYMSYXVEWXCDP-NRFANRHFSA-N 0 0 434.584 3.876 50 0 IHAARN CCOc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1OCC ZINC000036758729 521221648 /nfs/dbraw/zinc/22/16/48/521221648.db2.gz NKDPEBCIZCBSEI-QGZVFWFLSA-N 0 0 448.585 3.842 50 0 IHAARN CCOc1ccc([C@@H](CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530580 521226736 /nfs/dbraw/zinc/22/67/36/521226736.db2.gz JDQVKKHQHLAEHQ-JOCHJYFZSA-N 0 0 445.519 3.893 50 0 IHAARN CCC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000012763655 521239192 /nfs/dbraw/zinc/23/91/92/521239192.db2.gz XUSBNNBMWYAFRY-UHFFFAOYSA-N 0 0 427.272 3.596 50 0 IHAARN CCOc1ccc([C@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1OCC ZINC000036758730 521256296 /nfs/dbraw/zinc/25/62/96/521256296.db2.gz NKDPEBCIZCBSEI-KRWDZBQOSA-N 0 0 448.585 3.842 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1OC ZINC000012781979 521262087 /nfs/dbraw/zinc/26/20/87/521262087.db2.gz ULTBZDQDFGJTHH-IBGZPJMESA-N 0 0 448.947 3.559 50 0 IHAARN CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c(C)c2c1 ZINC000012819406 521309330 /nfs/dbraw/zinc/30/93/30/521309330.db2.gz SAIQRZNIWSWMCZ-UHFFFAOYSA-N 0 0 439.487 3.676 50 0 IHAARN CCCCc1nn2c(nc(CSc3nnc(-c4ccc(OC)cc4)n3C)cc2=O)s1 ZINC000021643580 521312970 /nfs/dbraw/zinc/31/29/70/521312970.db2.gz XGNHUDOPMNPYGI-UHFFFAOYSA-N 0 0 442.570 3.590 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)n1 ZINC000015879790 521344911 /nfs/dbraw/zinc/34/49/11/521344911.db2.gz BDKQRBBFNHWTLW-LBPRGKRZSA-N 0 0 449.598 3.816 50 0 IHAARN CCOc1cccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000035404671 521350166 /nfs/dbraw/zinc/35/01/66/521350166.db2.gz VDESYQHFKXAQFQ-UHFFFAOYSA-N 0 0 434.515 3.816 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCCOC)C(=O)c2cccc(OC)c2)c1C ZINC000036003569 521362773 /nfs/dbraw/zinc/36/27/73/521362773.db2.gz XEUCBWYUBCLRRP-QGZVFWFLSA-N 0 0 444.528 3.567 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000012568143 521371122 /nfs/dbraw/zinc/37/11/22/521371122.db2.gz YQMYTPAAHONPJE-HNNXBMFYSA-N 0 0 448.541 3.707 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(F)cc3)ccc1=O)CCCC2 ZINC000011914394 521419573 /nfs/dbraw/zinc/41/95/73/521419573.db2.gz HTLCVUDREOJYFC-UHFFFAOYSA-N 0 0 441.484 3.741 50 0 IHAARN CCOC(=O)c1cc(CN2c3cc(C(=O)OC)ccc3Sc3ccccc3C2=O)on1 ZINC000021089188 521432355 /nfs/dbraw/zinc/43/23/55/521432355.db2.gz BPHMPHNSDRRCIN-UHFFFAOYSA-N 0 0 438.461 3.950 50 0 IHAARN CCOc1cccc2c1cc(C(=O)NCCN1CCOCC1)n2Cc1ccccc1Cl ZINC000035928301 521435342 /nfs/dbraw/zinc/43/53/42/521435342.db2.gz KREJZBMFWHWCBL-UHFFFAOYSA-N 0 0 441.959 3.804 50 0 IHAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000021871147 521491124 /nfs/dbraw/zinc/49/11/24/521491124.db2.gz IUHCOLYBHGCTMK-INIZCTEOSA-N 0 0 428.554 3.988 50 0 IHAARN CCOc1ccccc1CNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000033312901 521492159 /nfs/dbraw/zinc/49/21/59/521492159.db2.gz TUTZNOODMANQKE-AREMUKBSSA-N 0 0 449.595 3.559 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(CC)nnc23)cc1 ZINC000035426707 521498551 /nfs/dbraw/zinc/49/85/51/521498551.db2.gz XPPDLJXOWNCOHL-UHFFFAOYSA-N 0 0 435.509 3.747 50 0 IHAARN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1 ZINC000020990241 521521607 /nfs/dbraw/zinc/52/16/07/521521607.db2.gz SKFAEBNKIHLQBH-UHFFFAOYSA-N 0 0 426.494 3.973 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2nc(-c3ccc(Cl)cc3)nn2c(=O)cc1C ZINC000021802615 521535065 /nfs/dbraw/zinc/53/50/65/521535065.db2.gz YJLWSZDWVVHAPQ-UHFFFAOYSA-N 0 0 437.887 3.557 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012731807 521544138 /nfs/dbraw/zinc/54/41/38/521544138.db2.gz UZMAIMZPQCOPHX-QGZVFWFLSA-N 0 0 438.524 3.778 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000032964068 521554316 /nfs/dbraw/zinc/55/43/16/521554316.db2.gz IDIMPFVRYQYDDA-CQSZACIVSA-N 0 0 427.526 3.619 50 0 IHAARN CCOC(=O)c1cnc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc1N ZINC000012517138 521573856 /nfs/dbraw/zinc/57/38/56/521573856.db2.gz OVQPXMLZCOFUBC-LBPRGKRZSA-N 0 0 430.530 3.584 50 0 IHAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012447258 521595621 /nfs/dbraw/zinc/59/56/21/521595621.db2.gz QYSBLHSPBOEQNM-OAHLLOKOSA-N 0 0 448.951 3.879 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000012813627 521619065 /nfs/dbraw/zinc/61/90/65/521619065.db2.gz KYBHQNWPJJCEQA-AWEZNQCLSA-N 0 0 443.500 3.967 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1noc(-c2ccc(C)cc2)n1 ZINC000012629793 521637818 /nfs/dbraw/zinc/63/78/18/521637818.db2.gz YRKKKEJJBTXCFV-UHFFFAOYSA-N 0 0 443.554 3.744 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012564408 521668415 /nfs/dbraw/zinc/66/84/15/521668415.db2.gz TWCGKSZNFSIXCK-QHCPKHFHSA-N 0 0 441.597 3.782 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OC)cc2)cc1 ZINC000035769876 521686341 /nfs/dbraw/zinc/68/63/41/521686341.db2.gz LGFIGCJKAMAURO-UHFFFAOYSA-N 0 0 429.494 3.859 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2nc(C)cs2)n1CCc1ccccc1 ZINC000012441611 521694411 /nfs/dbraw/zinc/69/44/11/521694411.db2.gz PWVCXZKLSJZYCC-QGZVFWFLSA-N 0 0 432.615 3.877 50 0 IHAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)CC1CC1 ZINC000036040506 521739539 /nfs/dbraw/zinc/73/95/39/521739539.db2.gz FHBUKGDQIJOIDQ-UHFFFAOYSA-N 0 0 446.617 3.763 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)c1C ZINC000035484089 521749317 /nfs/dbraw/zinc/74/93/17/521749317.db2.gz IJXCFLDKIRSOEJ-MRXNPFEDSA-N 0 0 425.529 3.538 50 0 IHAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NC(C)C)cnc2n1Cc1ccccc1 ZINC000014543781 521767232 /nfs/dbraw/zinc/76/72/32/521767232.db2.gz XJDXZSJRQDVJSF-LJQANCHMSA-N 0 0 436.512 3.809 50 0 IHAARN COC(=O)c1cc(C)sc1NC(=O)Cn1nc(C)c2c1nc(C)cc2C(F)(F)F ZINC000020602193 521829334 /nfs/dbraw/zinc/82/93/34/521829334.db2.gz IEWHXKUIHHTGCS-UHFFFAOYSA-N 0 0 426.420 3.862 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012562694 521862242 /nfs/dbraw/zinc/86/22/42/521862242.db2.gz IVVZKZATZGQWOE-SFHVURJKSA-N 0 0 442.991 3.510 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000012749811 521899922 /nfs/dbraw/zinc/89/99/22/521899922.db2.gz PDMCSBWKPJAQPF-UHFFFAOYSA-N 0 0 437.408 3.847 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 ZINC000022769064 521979405 /nfs/dbraw/zinc/97/94/05/521979405.db2.gz HEKNYUUKHLEFDJ-UHFFFAOYSA-N 0 0 426.450 3.695 50 0 IHAARN COCC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000012315118 521986099 /nfs/dbraw/zinc/98/60/99/521986099.db2.gz LMOVAJNWXDOAOM-OAQYLSRUSA-N 0 0 433.618 3.904 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036026617 521987332 /nfs/dbraw/zinc/98/73/32/521987332.db2.gz LMJYTIOXZYCGTN-HYBUGGRVSA-N 0 0 449.595 3.717 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026583 521987864 /nfs/dbraw/zinc/98/78/64/521987864.db2.gz HSUDBJXFJIYAAW-YKSBVNFPSA-N 0 0 449.595 3.717 50 0 IHAARN COc1cc(Br)c(CC(=O)N[C@H](c2nccn2C)c2ccccc2)cc1OC ZINC000012507222 522022220 /nfs/dbraw/zinc/02/22/20/522022220.db2.gz SYKUOBGFJRUDGY-FQEVSTJZSA-N 0 0 444.329 3.648 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)cc1OC ZINC000036731034 522023470 /nfs/dbraw/zinc/02/34/70/522023470.db2.gz GYBCVJSTSUJOIO-AWEZNQCLSA-N 0 0 440.359 3.865 50 0 IHAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O ZINC000012538162 522043481 /nfs/dbraw/zinc/04/34/81/522043481.db2.gz BHYNISNZYVEFRQ-PMACEKPBSA-N 0 0 435.568 3.910 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012852220 522043712 /nfs/dbraw/zinc/04/37/12/522043712.db2.gz XRBOHEJCAXBAOG-ROUUACIJSA-N 0 0 447.576 3.673 50 0 IHAARN COc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc(OC)c1OC ZINC000023140236 522074622 /nfs/dbraw/zinc/07/46/22/522074622.db2.gz OIPBLCXNFAOXJA-CYBMUJFWSA-N 0 0 429.498 3.844 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c1 ZINC000022765803 522113936 /nfs/dbraw/zinc/11/39/36/522113936.db2.gz LOLKWAGGPYVRSA-SNVBAGLBSA-N 0 0 435.263 3.712 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)cc2)no1 ZINC000035552822 522147696 /nfs/dbraw/zinc/14/76/96/522147696.db2.gz BLRBPLGLTYNDOD-UHFFFAOYSA-N 0 0 428.895 3.983 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1Cl)n(C[C@@H](C)O)c2=O ZINC000012776114 522185912 /nfs/dbraw/zinc/18/59/12/522185912.db2.gz HYUFZFFMFHWPGS-LLVKDONJSA-N 0 0 436.892 3.649 50 0 IHAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012892984 522213477 /nfs/dbraw/zinc/21/34/77/522213477.db2.gz SPUMOIOGFGITLK-UHFFFAOYSA-N 0 0 445.544 3.881 50 0 IHAARN CN(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012556256 522222744 /nfs/dbraw/zinc/22/27/44/522222744.db2.gz GHTBOCLUZWKNPA-UHFFFAOYSA-N 0 0 429.586 3.889 50 0 IHAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000012932698 522254422 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COc1ccc(CC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1 ZINC000033291264 523912902 /nfs/dbraw/zinc/91/29/02/523912902.db2.gz IQMWUTCCPJPJBN-OAHLLOKOSA-N 0 0 438.509 3.502 50 0 IHAARN COCCNC(=O)c1cccc(OC2CCN(Cc3ccccc3OC(F)F)CC2)c1 ZINC000012592199 523928743 /nfs/dbraw/zinc/92/87/43/523928743.db2.gz SHGMAZACVFIPCL-UHFFFAOYSA-N 0 0 434.483 3.708 50 0 IHAARN COc1ccc(CCCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1C ZINC000017750443 523938755 /nfs/dbraw/zinc/93/87/55/523938755.db2.gz VTXLBEATSZWMNE-UHFFFAOYSA-N 0 0 435.553 3.836 50 0 IHAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000012331307 523951993 /nfs/dbraw/zinc/95/19/93/523951993.db2.gz XMWSUKKELDSAEW-QFIPXVFZSA-N 0 0 449.576 3.617 50 0 IHAARN COc1ccc(CCN2Cc3cc(NC(=O)Cc4cccs4)ccc3OCC2=O)cc1 ZINC000035886102 523952488 /nfs/dbraw/zinc/95/24/88/523952488.db2.gz NXPKIOQNMOIARZ-UHFFFAOYSA-N 0 0 436.533 3.902 50 0 IHAARN COc1ccc(CCN2Cc3cc(NC(=O)C(C)C)ccc3O[C@H](C)C2=O)cc1OC ZINC000035873558 523952724 /nfs/dbraw/zinc/95/27/24/523952724.db2.gz OCZCJPKKBMJHBI-MRXNPFEDSA-N 0 0 426.513 3.651 50 0 IHAARN COc1ccc(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012886840 523955282 /nfs/dbraw/zinc/95/52/82/523955282.db2.gz TYQDJSBNPWDSCF-UHFFFAOYSA-N 0 0 437.462 3.693 50 0 IHAARN COc1ccc(CCc2nn3c(Cn4c(C)nc5ccccc54)nnc3s2)cc1OC ZINC000012323765 523984451 /nfs/dbraw/zinc/98/44/51/523984451.db2.gz MMYJTVPUEKAIQO-UHFFFAOYSA-N 0 0 434.525 3.695 50 0 IHAARN COc1ccc(CN(C(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)C2CC2)cc1 ZINC000022092193 523988396 /nfs/dbraw/zinc/98/83/96/523988396.db2.gz RCEHATNVBZNCRY-OAQYLSRUSA-N 0 0 429.586 3.971 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000759 524021834 /nfs/dbraw/zinc/02/18/34/524021834.db2.gz NUGGRZGLOCCTCL-UHFFFAOYSA-N 0 0 439.899 3.992 50 0 IHAARN COc1ccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1 ZINC000035533628 524053705 /nfs/dbraw/zinc/05/37/05/524053705.db2.gz ICULGEHYDJONRB-CQSZACIVSA-N 0 0 443.598 3.740 50 0 IHAARN CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000021360899 524063459 /nfs/dbraw/zinc/06/34/59/524063459.db2.gz BGHXYEUGUNCYSG-UHFFFAOYSA-N 0 0 445.567 4.000 50 0 IHAARN CCc1cccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 ZINC000012932723 524071748 /nfs/dbraw/zinc/07/17/48/524071748.db2.gz SEHWIOSXPSLOKO-LJQANCHMSA-N 0 0 431.492 3.764 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000015613975 524088932 /nfs/dbraw/zinc/08/89/32/524088932.db2.gz LPVFWGDNQAMBAP-RLJZQAMKSA-N 0 0 428.529 3.555 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC2CC2)c1OC ZINC000036054540 524121166 /nfs/dbraw/zinc/12/11/66/524121166.db2.gz QUNXCIBUKXRIMR-PMACEKPBSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 ZINC000022906754 524131195 /nfs/dbraw/zinc/13/11/95/524131195.db2.gz HCPMBGJWHNSGOA-DEOSSOPVSA-N 0 0 428.536 3.553 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCc3ccco3)C2)c1 ZINC000033175441 524138578 /nfs/dbraw/zinc/13/85/78/524138578.db2.gz FHASWEALTMJWNK-KRWDZBQOSA-N 0 0 448.548 3.881 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000012772312 524190934 /nfs/dbraw/zinc/19/09/34/524190934.db2.gz BVODGVXGMCUMRZ-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)OCc3nnsc3Cl)cc2)c1 ZINC000022033845 524197984 /nfs/dbraw/zinc/19/79/84/524197984.db2.gz HEJZNTHVLIFBIV-UHFFFAOYSA-N 0 0 438.914 3.933 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C(=O)N2 ZINC000020556701 524233227 /nfs/dbraw/zinc/23/32/27/524233227.db2.gz OUVSMZXWTRDZCB-UHFFFAOYSA-N 0 0 426.904 3.600 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(c1cccc(C)c1)C(=O)N2 ZINC000035432313 524233553 /nfs/dbraw/zinc/23/35/53/524233553.db2.gz LZZLBUBOMJQIMY-UHFFFAOYSA-N 0 0 426.904 3.600 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012767883 524241821 /nfs/dbraw/zinc/24/18/21/524241821.db2.gz XOMQLDQNUHEJBY-JLCFBVMHSA-N 0 0 448.350 3.898 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@H](CO)c4ccccc4)cc3)c(=O)oc21 ZINC000012296691 524255632 /nfs/dbraw/zinc/25/56/32/524255632.db2.gz JYSSZIWYJNLSFR-JOCHJYFZSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(C)cc1)c(C)n2C ZINC000035448416 524269798 /nfs/dbraw/zinc/26/97/98/524269798.db2.gz YRVOBKXPELRHRW-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000012598724 524279172 /nfs/dbraw/zinc/27/91/72/524279172.db2.gz UHNSCAUMKCJJPD-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 ZINC000022906803 524279363 /nfs/dbraw/zinc/27/93/63/524279363.db2.gz QSKWPXWCHFGQAI-DEOSSOPVSA-N 0 0 442.563 3.861 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC000012998685 524284128 /nfs/dbraw/zinc/28/41/28/524284128.db2.gz RFNMPZZSNLWPAL-IBGZPJMESA-N 0 0 441.959 3.711 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3cccc(F)c3)c2c(=O)n(C2CCCC2)c1=O ZINC000034693575 524304256 /nfs/dbraw/zinc/30/42/56/524304256.db2.gz UMRYZUPKNONSIR-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN COc1ccccc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000024750296 524312846 /nfs/dbraw/zinc/31/28/46/524312846.db2.gz QNRQWBKQHICDDQ-DHZHZOJOSA-N 0 0 438.915 3.756 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908000 524325312 /nfs/dbraw/zinc/32/53/12/524325312.db2.gz PBEMKKAOSOHBBD-IBGZPJMESA-N 0 0 446.569 3.974 50 0 IHAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)c2n1 ZINC000020992873 524342724 /nfs/dbraw/zinc/34/27/24/524342724.db2.gz VDENHSSEAQYSPG-NRFANRHFSA-N 0 0 429.524 3.796 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)CCC(=O)NCc1cccc(Br)c1 ZINC000021880318 524347544 /nfs/dbraw/zinc/34/75/44/524347544.db2.gz WEZDBUMFFDVGMV-UHFFFAOYSA-N 0 0 448.386 3.996 50 0 IHAARN COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 ZINC000021633100 524357840 /nfs/dbraw/zinc/35/78/40/524357840.db2.gz BHOYEBGOERNYEO-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000020898242 524358448 /nfs/dbraw/zinc/35/84/48/524358448.db2.gz KOVVPHHZPSIEEX-INIZCTEOSA-N 0 0 432.473 3.520 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000020898240 524359442 /nfs/dbraw/zinc/35/94/42/524359442.db2.gz KOVVPHHZPSIEEX-MRXNPFEDSA-N 0 0 432.473 3.520 50 0 IHAARN Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1 ZINC000020153120 524365161 /nfs/dbraw/zinc/36/51/61/524365161.db2.gz GMQDMCBPHZPTRY-UHFFFAOYSA-N 0 0 427.504 3.661 50 0 IHAARN COc1ccccc1CCNC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440891 524411996 /nfs/dbraw/zinc/41/19/96/524411996.db2.gz NKGIMWVCBQVMCC-UHFFFAOYSA-N 0 0 425.916 3.711 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c(OC)c1 ZINC000012820838 524447045 /nfs/dbraw/zinc/44/70/45/524447045.db2.gz YCPGBLNRLGVYOM-LLVKDONJSA-N 0 0 431.901 3.959 50 0 IHAARN COc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021861867 524447348 /nfs/dbraw/zinc/44/73/48/524447348.db2.gz VWJAZDHEZQBTIW-VWLOTQADSA-N 0 0 432.524 3.518 50 0 IHAARN COc1ccccc1CNC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000012779448 524461129 /nfs/dbraw/zinc/46/11/29/524461129.db2.gz YFLDASXRPBQEKR-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN COc1ccccc1CNC(=O)CCc1c(C)n(C)c2cc(-c3ccccc3C)nn2c1=O ZINC000035448785 524461968 /nfs/dbraw/zinc/46/19/68/524461968.db2.gz GWNGSWBKNAVWNW-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1Cl ZINC000015656632 524471588 /nfs/dbraw/zinc/47/15/88/524471588.db2.gz TXULCFDSAVOCTB-UHFFFAOYSA-N 0 0 444.887 3.666 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012923564 524529876 /nfs/dbraw/zinc/52/98/76/524529876.db2.gz BXYFYIIUBOCUQM-INIZCTEOSA-N 0 0 436.524 3.503 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccco3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000035833227 524536112 /nfs/dbraw/zinc/53/61/12/524536112.db2.gz MERCIVODUDVRBD-BJESRGMDSA-N 0 0 440.455 3.687 50 0 IHAARN Cc1cccc(N2CCN(C(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)C[C@@H]2C)c1 ZINC000015679182 524546343 /nfs/dbraw/zinc/54/63/43/524546343.db2.gz LBLZAVCKXJHUFP-SFHVURJKSA-N 0 0 449.507 3.633 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2c(=S)[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000012540734 524547086 /nfs/dbraw/zinc/54/70/86/524547086.db2.gz WFEZLQQVKCPNGZ-UHFFFAOYSA-N 0 0 443.960 3.618 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)C(C)C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036043710 524549129 /nfs/dbraw/zinc/54/91/29/524549129.db2.gz KXWXBIWJYKMJCV-XZOQPEGZSA-N 0 0 449.595 3.550 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000033282788 524627175 /nfs/dbraw/zinc/62/71/75/524627175.db2.gz YOEICEZPWRCRAA-UHFFFAOYSA-N 0 0 445.972 3.846 50 0 IHAARN COc1ccccc1OC1CCN(C(=O)CC[C@@]2(Cc3ccccc3)CCC(=O)N2)CC1 ZINC000011839871 524654955 /nfs/dbraw/zinc/65/49/55/524654955.db2.gz AWRCGLBAMXNDMX-AREMUKBSSA-N 0 0 436.552 3.737 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)n1 ZINC000020575218 524656908 /nfs/dbraw/zinc/65/69/08/524656908.db2.gz CVHWODYNIJRZEB-INIZCTEOSA-N 0 0 432.459 3.982 50 0 IHAARN COc1ccccc1OCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1 ZINC000035398114 524677863 /nfs/dbraw/zinc/67/78/63/524677863.db2.gz NAPJSQOHRZGFGO-NRFANRHFSA-N 0 0 446.551 3.872 50 0 IHAARN Cc1ccc(Cl)c(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c1 ZINC000012800881 524711585 /nfs/dbraw/zinc/71/15/85/524711585.db2.gz LHHKCPQKTHIBQX-UHFFFAOYSA-N 0 0 428.872 3.885 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1ccco1 ZINC000035961058 524750130 /nfs/dbraw/zinc/75/01/30/524750130.db2.gz BCVXMFKHEVETSN-FQEVSTJZSA-N 0 0 435.455 3.877 50 0 IHAARN C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020607006 524769806 /nfs/dbraw/zinc/76/98/06/524769806.db2.gz QYEHOKYKQIWYTI-SSDOTTSWSA-N 0 0 425.358 3.687 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc(N4CCCC4=O)n3)n2)c1 ZINC000018085290 524794202 /nfs/dbraw/zinc/79/42/02/524794202.db2.gz MBWWZBZBQIYTAV-UHFFFAOYSA-N 0 0 444.538 3.592 50 0 IHAARN COc1ccc(OC)c(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)c1 ZINC000012519863 524828805 /nfs/dbraw/zinc/82/88/05/524828805.db2.gz OMEDRCVKLOXOKZ-UHFFFAOYSA-N 0 0 435.553 3.797 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000021656468 524833402 /nfs/dbraw/zinc/83/34/02/524833402.db2.gz FLKBAKYIXRPNHV-GOSISDBHSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2/C(Cl)=C\c2ccccc2)c1 ZINC000033438061 524847875 /nfs/dbraw/zinc/84/78/75/524847875.db2.gz DXTLISBQCZZRHQ-MBNYPGIVSA-N 0 0 427.888 3.878 50 0 IHAARN COc1ccc(OC)c(NC(=O)CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)c1 ZINC000012390663 524849525 /nfs/dbraw/zinc/84/95/25/524849525.db2.gz UUIGCNFMWSQJMZ-UHFFFAOYSA-N 0 0 442.903 3.545 50 0 IHAARN C[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000012381084 524874079 /nfs/dbraw/zinc/87/40/79/524874079.db2.gz CWQLNBKLFKBGNE-RPNTZMPASA-N 0 0 446.478 3.845 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 ZINC000020608141 524883274 /nfs/dbraw/zinc/88/32/74/524883274.db2.gz VRMACXGJIJYJLK-BLVKFPJESA-N 0 0 433.302 3.837 50 0 IHAARN COc1ccc(OC)c([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000017197819 524900198 /nfs/dbraw/zinc/90/01/98/524900198.db2.gz YJRHKCGDMIEMAF-WNSKOXEYSA-N 0 0 439.537 3.669 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000012777652 524901214 /nfs/dbraw/zinc/90/12/14/524901214.db2.gz DBWBNDYLJNVDND-LBPRGKRZSA-N 0 0 432.933 3.782 50 0 IHAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012564471 524918585 /nfs/dbraw/zinc/91/85/85/524918585.db2.gz ALBVDGQTLRITGL-GOSISDBHSA-N 0 0 435.402 3.989 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000021657803 524925307 /nfs/dbraw/zinc/92/53/07/524925307.db2.gz FCIYZCCGEALBJQ-UHFFFAOYSA-N 0 0 441.553 3.888 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000021268537 524948898 /nfs/dbraw/zinc/94/88/98/524948898.db2.gz SILRDHYVZKQFAU-QWHCGFSZSA-N 0 0 448.292 3.623 50 0 IHAARN COc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(C)(C)C)c1 ZINC000013145920 524972175 /nfs/dbraw/zinc/97/21/75/524972175.db2.gz HUNSFKVPFRDKDJ-JOCHJYFZSA-N 0 0 440.584 3.757 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O ZINC000021759505 524974343 /nfs/dbraw/zinc/97/43/43/524974343.db2.gz GDPKXWYEDZKLSX-CWTRNNRKSA-N 0 0 427.423 3.661 50 0 IHAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1Cl ZINC000021171845 524987079 /nfs/dbraw/zinc/98/70/79/524987079.db2.gz PBJYJNCFJJODJL-GOSISDBHSA-N 0 0 438.959 3.851 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3c(C)cccc3C)n2n1 ZINC000017136101 525012683 /nfs/dbraw/zinc/01/26/83/525012683.db2.gz HXVNBXZHIDEUBG-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)Cn1c(=O)oc2ccccc21 ZINC000012112159 525032891 /nfs/dbraw/zinc/03/28/91/525032891.db2.gz FYDDCNLDUCVPPF-SFHVURJKSA-N 0 0 430.508 3.919 50 0 IHAARN C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 ZINC000022908293 525044462 /nfs/dbraw/zinc/04/44/62/525044462.db2.gz OWLAWQJLNWHFKW-XMSQKQJNSA-N 0 0 433.577 3.841 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1OC ZINC000020605493 525060771 /nfs/dbraw/zinc/06/07/71/525060771.db2.gz RNLGLCSPUZRFHV-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN Cc1ccccc1C(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCC3)n2C)c1 ZINC000012629543 525062817 /nfs/dbraw/zinc/06/28/17/525062817.db2.gz LRYQRDBVBLTLQM-UHFFFAOYSA-N 0 0 435.553 3.757 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012647806 525068189 /nfs/dbraw/zinc/06/81/89/525068189.db2.gz DERDKRRHSWJXSM-UHFFFAOYSA-N 0 0 438.496 3.855 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(Cl)cc1Cl ZINC000012763371 525070094 /nfs/dbraw/zinc/07/00/94/525070094.db2.gz KYYWVYHNEHXFOM-CYBMUJFWSA-N 0 0 444.384 3.610 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c(F)c1 ZINC000022373423 525078822 /nfs/dbraw/zinc/07/88/22/525078822.db2.gz JZKOLBYDRHYDPZ-UHFFFAOYSA-N 0 0 426.517 3.640 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)c(C)c1 ZINC000035532848 525084069 /nfs/dbraw/zinc/08/40/69/525084069.db2.gz XKCDYEBUTIDPFW-UHFFFAOYSA-N 0 0 431.612 3.987 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(-n2ccnc2)cc1 ZINC000032970944 525126237 /nfs/dbraw/zinc/12/62/37/525126237.db2.gz QFYXNRDSZDAZML-CQSZACIVSA-N 0 0 449.492 3.621 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(-n2cncn2)cc1 ZINC000012913547 525132054 /nfs/dbraw/zinc/13/20/54/525132054.db2.gz PANVOYNHFHPEQS-FXAWDEMLSA-N 0 0 425.492 3.651 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)n(-c2ccccc2)n1 ZINC000012599382 525159240 /nfs/dbraw/zinc/15/92/40/525159240.db2.gz DRMZDKHBBTXHPE-UHFFFAOYSA-N 0 0 431.525 3.900 50 0 IHAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCCCCC3)cc2Cl)CC1 ZINC000012210177 525164819 /nfs/dbraw/zinc/16/48/19/525164819.db2.gz UIRVOEDUAAYSJZ-UHFFFAOYSA-N 0 0 428.982 3.549 50 0 IHAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(-n2cncn2)cc1 ZINC000012913538 525167605 /nfs/dbraw/zinc/16/76/05/525167605.db2.gz PANVOYNHFHPEQS-PXNSSMCTSA-N 0 0 425.492 3.651 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2c3ccccc3nc3c2CCCC3)N2CCOCC2)cc1 ZINC000032969218 525184769 /nfs/dbraw/zinc/18/47/69/525184769.db2.gz ATSTXCNPVADIPA-RUZDIDTESA-N 0 0 445.563 3.926 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc43)OC(=O)[C@]21C(=O)N1CCOCC1 ZINC000012384138 525234581 /nfs/dbraw/zinc/23/45/81/525234581.db2.gz KGGKQXXXUWSSQX-GDKKVTFASA-N 0 0 441.483 3.590 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(O)c2)cc1 ZINC000012486885 525239429 /nfs/dbraw/zinc/23/94/29/525239429.db2.gz AMGBEAICPNBKRY-QHCPKHFHSA-N 0 0 430.460 3.936 50 0 IHAARN CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccc(F)cc2F)O3)cc1 ZINC000012100251 525241999 /nfs/dbraw/zinc/24/19/99/525241999.db2.gz KCXVOENMJREDKD-SFHVURJKSA-N 0 0 443.471 3.769 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c4ccccc4oc3c2=O)c(OC)c1 ZINC000012929394 525245634 /nfs/dbraw/zinc/24/56/34/525245634.db2.gz CELGWHRPLFMJLC-SFHVURJKSA-N 0 0 433.464 3.524 50 0 IHAARN Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444269 525251587 /nfs/dbraw/zinc/25/15/87/525251587.db2.gz SLLYHASBNRFJEJ-UHFFFAOYSA-N 0 0 445.870 3.509 50 0 IHAARN COc1ccc([C@@H]2CSCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000020744662 525256670 /nfs/dbraw/zinc/25/66/70/525256670.db2.gz BJPRUUFYBYLISZ-FQEVSTJZSA-N 0 0 425.506 3.806 50 0 biogenic IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059731 525257280 /nfs/dbraw/zinc/25/72/80/525257280.db2.gz RBZIIQFVSVQXKF-LEWJYISDSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccccc1Nc1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cs1 ZINC000023908927 525274612 /nfs/dbraw/zinc/27/46/12/525274612.db2.gz BQUSIKDITHZXEH-UHFFFAOYSA-N 0 0 442.610 3.843 50 0 IHAARN Cc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000001054959 525328064 /nfs/dbraw/zinc/32/80/64/525328064.db2.gz HHIDKPHPOQTXOE-UHFFFAOYSA-N 0 0 445.321 3.728 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c2c1[C@@H](C)CC2=O ZINC000012738280 525397806 /nfs/dbraw/zinc/39/78/06/525397806.db2.gz OTNWBMMBHCSSIZ-HRCADAONSA-N 0 0 443.569 3.768 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035961716 525405952 /nfs/dbraw/zinc/40/59/52/525405952.db2.gz WRVUISMNEDEXFH-OAQYLSRUSA-N 0 0 426.492 3.562 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012683587 525440625 /nfs/dbraw/zinc/44/06/25/525440625.db2.gz JJQBFNOSOXIFGQ-IBGZPJMESA-N 0 0 439.581 3.753 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012781064 525440938 /nfs/dbraw/zinc/44/09/38/525440938.db2.gz YCSYZWUOQSSMMH-MRXNPFEDSA-N 0 0 440.521 3.689 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000012765196 525464408 /nfs/dbraw/zinc/46/44/08/525464408.db2.gz KCHLODOKQPIHMZ-GOSISDBHSA-N 0 0 428.554 3.526 50 0 IHAARN COc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2c1 ZINC000035562183 525479171 /nfs/dbraw/zinc/47/91/71/525479171.db2.gz CCVWGYALECLITK-UHFFFAOYSA-N 0 0 442.313 3.537 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)c2c1 ZINC000033258816 525492009 /nfs/dbraw/zinc/49/20/09/525492009.db2.gz HIBHNLWLFTVQLM-UHFFFAOYSA-N 0 0 432.524 3.561 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c(=O)oc2c1 ZINC000012351124 525496968 /nfs/dbraw/zinc/49/69/68/525496968.db2.gz HBHHNPOGQOAVOY-QGZVFWFLSA-N 0 0 449.503 3.954 50 0 IHAARN Cc1n[nH]cc1CCCNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000012576024 525500423 /nfs/dbraw/zinc/50/04/23/525500423.db2.gz UBJQONGDVZTOAP-HNNXBMFYSA-N 0 0 440.617 3.725 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914970 525507079 /nfs/dbraw/zinc/50/70/79/525507079.db2.gz BDZQOBNIKNLFOT-VIFPVBQESA-N 0 0 439.267 3.900 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1C ZINC000012926358 525519942 /nfs/dbraw/zinc/51/99/42/525519942.db2.gz OKJJRNXJJKZURT-HXUWFJFHSA-N 0 0 428.598 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)C2)s1 ZINC000012858230 525535770 /nfs/dbraw/zinc/53/57/70/525535770.db2.gz HVSHUQRIZMCHFY-JSGCOSHPSA-N 0 0 439.628 3.677 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911128 525551288 /nfs/dbraw/zinc/55/12/88/525551288.db2.gz RNPYIIHNVGVQTG-ILBGXUMGSA-N 0 0 447.604 3.983 50 0 IHAARN CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035877034 525551490 /nfs/dbraw/zinc/55/14/90/525551490.db2.gz MKQCTEQDNIYCNA-YADHBBJMSA-N 0 0 425.598 3.701 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccccc3F)CC1)c1cccn1-2 ZINC000035399366 525553083 /nfs/dbraw/zinc/55/30/83/525553083.db2.gz PGALKGFCIDGJTG-UHFFFAOYSA-N 0 0 427.501 3.731 50 0 biogenic IHAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc21 ZINC000021277675 525590881 /nfs/dbraw/zinc/59/08/81/525590881.db2.gz KKXFHWLRPVQSIA-KRWDZBQOSA-N 0 0 433.371 3.890 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 ZINC000021100349 525607707 /nfs/dbraw/zinc/60/77/07/525607707.db2.gz GBIHHLPATSGLNB-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(C[C@@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 ZINC000012748351 525641902 /nfs/dbraw/zinc/64/19/02/525641902.db2.gz DLYTZJZWQHZBAE-RLWLMLJZSA-N 0 0 448.519 3.672 50 0 IHAARN Cc1cc2nc(COc3ccccc3NC(=O)COc3cc(C)ccc3C)cc(=O)n2o1 ZINC000035378564 525674214 /nfs/dbraw/zinc/67/42/14/525674214.db2.gz YTJXPYKXUORQBE-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c12 ZINC000020946881 525678773 /nfs/dbraw/zinc/67/87/73/525678773.db2.gz XDHNNJCKPXCUPQ-UHFFFAOYSA-N 0 0 434.927 3.816 50 0 IHAARN Cc1cc2oc(=O)cc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)c2cc1C(C)C ZINC000018623388 525690620 /nfs/dbraw/zinc/69/06/20/525690620.db2.gz UTKSBDGCEVZKKD-AWEZNQCLSA-N 0 0 448.566 3.877 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616422 525702806 /nfs/dbraw/zinc/70/28/06/525702806.db2.gz FYIHDFXJMNVSOM-OAHLLOKOSA-N 0 0 432.528 3.584 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F ZINC000020898231 525718695 /nfs/dbraw/zinc/71/86/95/525718695.db2.gz ODXMBKFVDPIWAU-OAHLLOKOSA-N 0 0 434.514 3.680 50 0 IHAARN COc1cccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cs2)c1OC ZINC000012522982 525721694 /nfs/dbraw/zinc/72/16/94/525721694.db2.gz QRYVYKJPWCBEAE-UHFFFAOYSA-N 0 0 425.510 3.916 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)cc3C)c(C)o2)c1 ZINC000020241950 525725134 /nfs/dbraw/zinc/72/51/34/525725134.db2.gz WGGXWUVUKOKFSC-UHFFFAOYSA-N 0 0 428.510 3.829 50 0 IHAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)c1 ZINC000020807480 525726069 /nfs/dbraw/zinc/72/60/69/525726069.db2.gz WDMDCCZYZDXUHQ-UHFFFAOYSA-N 0 0 434.901 3.673 50 0 IHAARN COc1cccc(-c2nc(Cn3cnc4nc5c(cc4c3=O)C[C@@H](C)CC5)c(C)o2)c1OC ZINC000033059750 525726986 /nfs/dbraw/zinc/72/69/86/525726986.db2.gz PUWFOTZZWYNRIO-AWEZNQCLSA-N 0 0 446.507 3.945 50 0 IHAARN COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)c1 ZINC000020180851 525766600 /nfs/dbraw/zinc/76/66/00/525766600.db2.gz LOCWMCQAHOBVTL-JJIBRWJFSA-N 0 0 428.488 3.821 50 0 biogenic IHAARN Cc1c(Cl)cccc1NC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2 ZINC000021807683 525767921 /nfs/dbraw/zinc/76/79/21/525767921.db2.gz JHPJOYMNSPVJGR-UHFFFAOYSA-N 0 0 433.899 3.647 50 0 IHAARN COc1cccc(C(=O)Cn2c3ccccc3n(CC(=O)c3cccc(OC)c3)c2=N)c1 ZINC000012371529 525788207 /nfs/dbraw/zinc/78/82/07/525788207.db2.gz PLBSLMHLVLOAQQ-UHFFFAOYSA-N 0 0 429.476 3.705 50 0 IHAARN COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)c1 ZINC000012744936 525796965 /nfs/dbraw/zinc/79/69/65/525796965.db2.gz POCNLDJHLSBTQV-QHCPKHFHSA-N 0 0 448.523 3.695 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1 ZINC000012878270 525811948 /nfs/dbraw/zinc/81/19/48/525811948.db2.gz JDQYYKKKXXEPCO-UHFFFAOYSA-N 0 0 427.595 3.933 50 0 IHAARN Cc1c(NC(=O)CCSc2nccn2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012753776 525833129 /nfs/dbraw/zinc/83/31/29/525833129.db2.gz VEQVOBSJHIUEBC-UHFFFAOYSA-N 0 0 433.537 3.791 50 0 IHAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(CC(C)C)c3ccccc3)s2)c1 ZINC000020486618 525839135 /nfs/dbraw/zinc/83/91/35/525839135.db2.gz NXPBDVUVIFRNSJ-UHFFFAOYSA-N 0 0 446.554 3.650 50 0 IHAARN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000012630376 525871388 /nfs/dbraw/zinc/87/13/88/525871388.db2.gz MXWPMMYLNJOFOT-UHFFFAOYSA-N 0 0 445.850 3.957 50 0 IHAARN C[C@@H](OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000021461601 525890220 /nfs/dbraw/zinc/89/02/20/525890220.db2.gz DXMBFWCGLNEZQV-SNVBAGLBSA-N 0 0 437.308 3.994 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)NC(=O)NC1CCCCC1 ZINC000021867213 525895674 /nfs/dbraw/zinc/89/56/74/525895674.db2.gz IBJVNBKIRHJAPB-CQSZACIVSA-N 0 0 449.598 3.726 50 0 IHAARN C[C@@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1F ZINC000021414687 525896147 /nfs/dbraw/zinc/89/61/47/525896147.db2.gz YEZPMZLTOYPDRF-CQSZACIVSA-N 0 0 439.443 3.572 50 0 IHAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NCC(C)C)nnc2N2CCCCC2)cc1 ZINC000012537410 525900976 /nfs/dbraw/zinc/90/09/76/525900976.db2.gz RWKAOJXSWRKQEG-KRWDZBQOSA-N 0 0 444.605 3.528 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N4CCCC[C@H]4CO)c(C)c32)c1 ZINC000012210910 525902268 /nfs/dbraw/zinc/90/22/68/525902268.db2.gz UHDYMVULECXRHB-KRWDZBQOSA-N 0 0 440.569 3.650 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)NCc4ccncc4)c(C)c32)c1 ZINC000012247667 525903897 /nfs/dbraw/zinc/90/38/97/525903897.db2.gz JUBZMWAXSRYYLF-UHFFFAOYSA-N 0 0 433.537 3.988 50 0 IHAARN COc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000035527364 525930638 /nfs/dbraw/zinc/93/06/38/525930638.db2.gz AMTQDISQPWXWLL-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nn(C)c(=O)c3ccccc32)cc1C ZINC000012746514 525932661 /nfs/dbraw/zinc/93/26/61/525932661.db2.gz SLPFVZWWUUAZLM-NRFANRHFSA-N 0 0 427.508 3.543 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NC1CCCCCC1)c2=O ZINC000021097488 525935298 /nfs/dbraw/zinc/93/52/98/525935298.db2.gz AZMXXCNIMNWFOZ-UHFFFAOYSA-N 0 0 427.936 3.691 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1ccccc1F)nc2C ZINC000020563682 525935527 /nfs/dbraw/zinc/93/55/27/525935527.db2.gz CMXLDOZVYHXCAX-QGZVFWFLSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@H](C(=O)NCc3ccco3)C1)nnc2C ZINC000020564806 525937929 /nfs/dbraw/zinc/93/79/29/525937929.db2.gz LXGYSEBVBVLXQD-SFHVURJKSA-N 0 0 430.512 3.558 50 0 IHAARN COc1cccc(CN2CCN(Cc3nc(-c4cccs4)oc3C)C[C@@H]2CCO)c1 ZINC000020601521 525946763 /nfs/dbraw/zinc/94/67/63/525946763.db2.gz AMRRSPNTQQKCEX-IBGZPJMESA-N 0 0 427.570 3.789 50 0 IHAARN COc1cccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1OC ZINC000021530220 525965878 /nfs/dbraw/zinc/96/58/78/525965878.db2.gz BGOOBWJDOLNEEO-UHFFFAOYSA-N 0 0 447.535 3.897 50 0 IHAARN Cc1c2ccccc2[nH]c1C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000035562257 525974841 /nfs/dbraw/zinc/97/48/41/525974841.db2.gz FUPOEKHYTMSDJQ-UHFFFAOYSA-N 0 0 426.314 3.837 50 0 IHAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000021601460 526002142 /nfs/dbraw/zinc/00/21/42/526002142.db2.gz ZZWIRAGXCCRAEU-LLVKDONJSA-N 0 0 438.962 3.586 50 0 IHAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O ZINC000012600948 526009099 /nfs/dbraw/zinc/00/90/99/526009099.db2.gz ZHDKBVFURPBVHU-TZMCWYRMSA-N 0 0 447.630 3.727 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Br)cc1F ZINC000012903661 526040704 /nfs/dbraw/zinc/04/07/04/526040704.db2.gz UGYNSLWIISGAOD-CYBMUJFWSA-N 0 0 432.297 3.800 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)no1 ZINC000021995480 526069417 /nfs/dbraw/zinc/06/94/17/526069417.db2.gz XXNIVBKFZVAVKM-UHFFFAOYSA-N 0 0 442.541 3.817 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000012793639 526073253 /nfs/dbraw/zinc/07/32/53/526073253.db2.gz VWNOJGBXPISMQS-KRWDZBQOSA-N 0 0 441.487 3.755 50 0 IHAARN CSc1cccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2C2CCCC2)c1 ZINC000033265340 526113820 /nfs/dbraw/zinc/11/38/20/526113820.db2.gz NJWVKTAPMCHBAN-UHFFFAOYSA-N 0 0 429.571 3.698 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)CCCn3c4ccccc4c4cnn(C)c(=O)c43)c2c1 ZINC000035397006 526114174 /nfs/dbraw/zinc/11/41/74/526114174.db2.gz OZZUGYHMGCXECR-UHFFFAOYSA-N 0 0 441.535 3.817 50 0 IHAARN Cc1ccc2c(c1)CCN1C(=O)CN(C(=S)Nc3ccc(Br)cc3)C[C@@H]21 ZINC000022647814 526150043 /nfs/dbraw/zinc/15/00/43/526150043.db2.gz DYTXDFWYQNALAQ-SFHVURJKSA-N 0 0 430.371 3.896 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C)cs4)cs3)CC2)c1 ZINC000033297603 526155441 /nfs/dbraw/zinc/15/54/41/526155441.db2.gz XTVQPVFXMLLMOK-UHFFFAOYSA-N 0 0 435.596 3.700 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCc4ccccc4)[C@@H]3C2)c1 ZINC000035869968 526159346 /nfs/dbraw/zinc/15/93/46/526159346.db2.gz DUNYZZHGZWDJBS-AHWVRZQESA-N 0 0 427.548 3.879 50 0 IHAARN Cc1ccc(C(=O)NCCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1F ZINC000012744776 526166284 /nfs/dbraw/zinc/16/62/84/526166284.db2.gz GHLIEZYAYIOCIN-UHFFFAOYSA-N 0 0 425.485 3.608 50 0 IHAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Br)cc1 ZINC000012782196 526175368 /nfs/dbraw/zinc/17/53/68/526175368.db2.gz BZBZCFVHHOGPSJ-LLVKDONJSA-N 0 0 436.375 3.557 50 0 IHAARN Cc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)cc1F ZINC000041089891 526183445 /nfs/dbraw/zinc/18/34/45/526183445.db2.gz ZIDRSPRRCJCKMG-UHFFFAOYSA-N 0 0 428.876 3.849 50 0 IHAARN COc1cccc(NC(=O)Cn2cnc3c4ccc(-c5cccnc5)nc4sc3c2=O)c1 ZINC000035462826 526184219 /nfs/dbraw/zinc/18/42/19/526184219.db2.gz YAYSNNAGMQOPPV-UHFFFAOYSA-N 0 0 443.488 3.716 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000012854280 526204527 /nfs/dbraw/zinc/20/45/27/526204527.db2.gz NXEMOFOAVWHRCX-IBVKSMDESA-N 0 0 449.551 3.640 50 0 IHAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)N1CCC[C@H](C)C1 ZINC000035399998 526216567 /nfs/dbraw/zinc/21/65/67/526216567.db2.gz WRWUWCQNIVPHFV-IBGZPJMESA-N 0 0 428.536 3.966 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000012904898 526217482 /nfs/dbraw/zinc/21/74/82/526217482.db2.gz DHAWTYUYEKCVSR-QGZVFWFLSA-N 0 0 437.540 3.585 50 0 IHAARN CSc1nc2ccccc2n1CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022802376 526217982 /nfs/dbraw/zinc/21/79/82/526217982.db2.gz AIYNYIRZNLTZAU-UHFFFAOYSA-N 0 0 429.977 3.625 50 0 IHAARN CSc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1-c1ccc(F)cc1 ZINC000022144071 526219843 /nfs/dbraw/zinc/21/98/43/526219843.db2.gz HBKOFZGMUUQNIO-UHFFFAOYSA-N 0 0 435.488 3.974 50 0 IHAARN Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000021128848 526245739 /nfs/dbraw/zinc/24/57/39/526245739.db2.gz IBLUCZIXYIVSHE-GOSISDBHSA-N 0 0 433.508 3.872 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 ZINC000012785707 526247076 /nfs/dbraw/zinc/24/70/76/526247076.db2.gz PTQHEJYQTGHNSY-IBGZPJMESA-N 0 0 449.551 3.942 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)c4ccc(C(F)(F)F)cc4)CC[C@@H]32)nn1C ZINC000012454213 526248663 /nfs/dbraw/zinc/24/86/63/526248663.db2.gz XDZCEGRBOWPWMA-APWZRJJASA-N 0 0 434.462 3.514 50 0 IHAARN Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c1cnn2-c1ccc(F)cc1 ZINC000012228323 526268204 /nfs/dbraw/zinc/26/82/04/526268204.db2.gz ZIESCTJUCCTUFU-UHFFFAOYSA-N 0 0 445.376 3.687 50 0 IHAARN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012754152 526276727 /nfs/dbraw/zinc/27/67/27/526276727.db2.gz PFANLXQGNWZILI-UHFFFAOYSA-N 0 0 438.952 3.629 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3F)c12 ZINC000012781345 526308454 /nfs/dbraw/zinc/30/84/54/526308454.db2.gz NHAXAYNQYMXLLP-HNNXBMFYSA-N 0 0 442.516 3.677 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000012805889 526308779 /nfs/dbraw/zinc/30/87/79/526308779.db2.gz LLFKQUKJXJMJRY-SFHVURJKSA-N 0 0 438.553 3.846 50 0 IHAARN Cc1nn2c(nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2=O)s1 ZINC000020859157 526311558 /nfs/dbraw/zinc/31/15/58/526311558.db2.gz CQOQZHZNPHKLBZ-UHFFFAOYSA-N 0 0 426.885 3.944 50 0 IHAARN O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000021904442 526357288 /nfs/dbraw/zinc/35/72/88/526357288.db2.gz YAXRRKKYMONZLA-UHFFFAOYSA-N 0 0 443.352 3.587 50 0 IHAARN O=C(CCC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1)NCc1ccccc1Cl ZINC000021531443 526393730 /nfs/dbraw/zinc/39/37/30/526393730.db2.gz ONMWUEJIOAAXHP-UHFFFAOYSA-N 0 0 445.850 3.968 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCCN(C(=O)c4cccs4)CC3)n12 ZINC000034700082 526410453 /nfs/dbraw/zinc/41/04/53/526410453.db2.gz RNACVJKMWLDROT-UHFFFAOYSA-N 0 0 426.933 3.653 50 0 IHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000021146572 526460984 /nfs/dbraw/zinc/46/09/84/526460984.db2.gz QDWSLYFVKYJCQJ-BQYQJAHWSA-N 0 0 437.587 3.530 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCc1ccccn1 ZINC000033332008 526468330 /nfs/dbraw/zinc/46/83/30/526468330.db2.gz GRADWKDWEBXTFT-UHFFFAOYSA-N 0 0 439.313 3.508 50 0 IHAARN c1ccc(CN2CCO[C@@H](CSc3nnc(CN4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000012512785 526471039 /nfs/dbraw/zinc/47/10/39/526471039.db2.gz ZFYLMEGZRWUSRM-HSZRJFAPSA-N 0 0 449.624 3.856 50 0 IHAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1N1CCOCC1 ZINC000012534843 526497499 /nfs/dbraw/zinc/49/74/99/526497499.db2.gz OADYNKSGYFHIPW-UHFFFAOYSA-N 0 0 445.991 3.838 50 0 IHAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1sc2ccccc2c1Cl ZINC000021976233 526509789 /nfs/dbraw/zinc/50/97/89/526509789.db2.gz BLPLLBBLXLKTAL-UHFFFAOYSA-N 0 0 434.926 3.727 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC000012567845 526523005 /nfs/dbraw/zinc/52/30/05/526523005.db2.gz KPOBQANFDMCJIL-UHFFFAOYSA-N 0 0 435.524 3.707 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000012887726 526554452 /nfs/dbraw/zinc/55/44/52/526554452.db2.gz JMMWUYTXHYDHSG-JTQLQIEISA-N 0 0 428.436 3.844 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2)no1 ZINC000035556604 526576256 /nfs/dbraw/zinc/57/62/56/526576256.db2.gz SLTPJMAEOPJDDG-UHFFFAOYSA-N 0 0 427.302 3.770 50 0 IHAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000012321262 526577595 /nfs/dbraw/zinc/57/75/95/526577595.db2.gz LRYIDQIVIMKDGP-UHFFFAOYSA-N 0 0 440.341 3.848 50 0 IHAARN Cc1nc(-c2cccc(N3C[C@H](C(=O)NCc4ccc(OC(C)C)cc4)CC3=O)c2)no1 ZINC000021885144 526584269 /nfs/dbraw/zinc/58/42/69/526584269.db2.gz FPFUKBXHFDASBS-LJQANCHMSA-N 0 0 434.496 3.502 50 0 IHAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(c2ncccn2)CC1 ZINC000001073973 526593514 /nfs/dbraw/zinc/59/35/14/526593514.db2.gz DFRQLOPPQWMLGS-UHFFFAOYSA-N 0 0 430.899 3.703 50 0 IHAARN O=C(CCc1ccccc1)Nc1c2c(nn1CC(=O)NCCc1ccccc1)CSC2 ZINC000035596870 526611004 /nfs/dbraw/zinc/61/10/04/526611004.db2.gz ZDBAGHDGWHFJFL-UHFFFAOYSA-N 0 0 434.565 3.560 50 0 IHAARN Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc(Cl)cc2Cl)[nH]c(=O)c1C ZINC000012127121 526626334 /nfs/dbraw/zinc/62/63/34/526626334.db2.gz CIHOPXSWWDLCOV-UHFFFAOYSA-N 0 0 448.310 3.774 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc2c(cc1Br)OCCO2 ZINC000015610200 526643579 /nfs/dbraw/zinc/64/35/79/526643579.db2.gz LFJYBTJQYWHQSN-UHFFFAOYSA-N 0 0 448.248 3.981 50 0 IHAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533256 526644514 /nfs/dbraw/zinc/64/45/14/526644514.db2.gz AQNHWCMCUAGGND-UHFFFAOYSA-N 0 0 445.445 3.822 50 0 IHAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1F ZINC000033062725 526650929 /nfs/dbraw/zinc/65/09/29/526650929.db2.gz FNJJPVYFHVKFGN-UHFFFAOYSA-N 0 0 441.843 3.546 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012791832 526661111 /nfs/dbraw/zinc/66/11/11/526661111.db2.gz PEYSLZOOTXBTTF-UHFFFAOYSA-N 0 0 433.331 3.519 50 0 IHAARN O=C(CCn1c(=O)c2cccn2c2cccnc21)Nc1ccc(Br)cc1F ZINC000020512503 526667033 /nfs/dbraw/zinc/66/70/33/526667033.db2.gz LVQGNVDPDMFCHX-UHFFFAOYSA-N 0 0 429.249 3.580 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1nc2ccccc2s1 ZINC000023441889 526683744 /nfs/dbraw/zinc/68/37/44/526683744.db2.gz BDDOSIFSKPVKMG-UHFFFAOYSA-N 0 0 444.310 3.902 50 0 IHAARN Cc1nonc1C(=O)NCc1nnc(SCC2CCCCC2)n1-c1ccc(F)cc1 ZINC000012056942 526702486 /nfs/dbraw/zinc/70/24/86/526702486.db2.gz KDJOYHTZOGLYQX-UHFFFAOYSA-N 0 0 430.509 3.700 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1ccccc1Cl ZINC000035402467 526710847 /nfs/dbraw/zinc/71/08/47/526710847.db2.gz LNAUWTNEQOIUNV-UHFFFAOYSA-N 0 0 429.929 3.653 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000012751235 526725773 /nfs/dbraw/zinc/72/57/73/526725773.db2.gz KVINXGLZNOWNBW-UHFFFAOYSA-N 0 0 434.464 3.903 50 0 IHAARN O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)C[S@]2=O ZINC000020736157 526738616 /nfs/dbraw/zinc/73/86/16/526738616.db2.gz DAHBYEIEDDVYPV-SSEXGKCCSA-N 0 0 438.936 3.924 50 0 IHAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012927735 526774762 /nfs/dbraw/zinc/77/47/62/526774762.db2.gz UDJJYXIGUHMGPZ-XMMPIXPASA-N 0 0 444.487 3.603 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1Cc1ccccc1 ZINC000022799990 526775018 /nfs/dbraw/zinc/77/50/18/526775018.db2.gz MDIKZKMAXVUXDP-UHFFFAOYSA-N 0 0 441.575 3.969 50 0 IHAARN O=C(CN1CCN(c2nc3cc(Cl)ccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000035601061 526783146 /nfs/dbraw/zinc/78/31/46/526783146.db2.gz PFZHFAFAEHLVBO-UHFFFAOYSA-N 0 0 429.929 3.726 50 0 IHAARN O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012591811 526793927 /nfs/dbraw/zinc/79/39/27/526793927.db2.gz CLAIVUZXYLEQQU-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022608864 526798689 /nfs/dbraw/zinc/79/86/89/526798689.db2.gz HUVKXFPWQGYNJA-DEOSSOPVSA-N 0 0 434.511 3.619 50 0 IHAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccccc1Cl ZINC000024607946 526826667 /nfs/dbraw/zinc/82/66/67/526826667.db2.gz FVFRZDXJNGIILG-UHFFFAOYSA-N 0 0 430.888 3.971 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 ZINC000021676609 526844126 /nfs/dbraw/zinc/84/41/26/526844126.db2.gz GFGFQBVJIVSDQI-KRWDZBQOSA-N 0 0 443.862 3.939 50 0 IHAARN O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)cc1 ZINC000057381174 526890137 /nfs/dbraw/zinc/89/01/37/526890137.db2.gz DPTHGRAFPCPAMM-HSZRJFAPSA-N 0 0 425.891 3.913 50 0 IHAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(F)ccc1F ZINC000023295582 526906002 /nfs/dbraw/zinc/90/60/02/526906002.db2.gz NFEYFJGLZPNCKQ-UHFFFAOYSA-N 0 0 443.372 3.777 50 0 IHAARN O=C(COC(=O)CCN1C(=O)S/C(=C/c2cccs2)C1=O)NC1CCCCCC1 ZINC000035681437 526907657 /nfs/dbraw/zinc/90/76/57/526907657.db2.gz ZLEJTAUQRDEISO-FOWTUZBSSA-N 0 0 436.555 3.557 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)c2)cs1 ZINC000089712516 526909103 /nfs/dbraw/zinc/90/91/03/526909103.db2.gz BJMAPECNEFCJMO-LAUBAEHRSA-N 0 0 425.554 3.646 50 0 IHAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000020990456 526914166 /nfs/dbraw/zinc/91/41/66/526914166.db2.gz HNDQZSCSORQQCS-UHFFFAOYSA-N 0 0 438.814 3.864 50 0 IHAARN O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccc2c(c1)NC(=O)CO2 ZINC000012884090 526914961 /nfs/dbraw/zinc/91/49/61/526914961.db2.gz CMHBRPUNNQMJNL-UHFFFAOYSA-N 0 0 428.400 3.865 50 0 IHAARN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012596326 526998376 /nfs/dbraw/zinc/99/83/76/526998376.db2.gz ZZEUZEIVCOQDSC-HNNXBMFYSA-N 0 0 433.261 3.756 50 0 IHAARN O=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022783245 527017769 /nfs/dbraw/zinc/01/77/69/527017769.db2.gz UYOGDSACQAGFGL-LJQANCHMSA-N 0 0 436.314 3.582 50 0 IHAARN O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000012631268 527027028 /nfs/dbraw/zinc/02/70/28/527027028.db2.gz JCCUCNSTZNBEPR-IBGZPJMESA-N 0 0 426.879 3.867 50 0 IHAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020676717 527031608 /nfs/dbraw/zinc/03/16/08/527031608.db2.gz GNJAEMKVAXSTJF-NRFANRHFSA-N 0 0 425.554 3.794 50 0 IHAARN O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)N1CCN(c2ccccc2)CC1 ZINC000022417213 527031699 /nfs/dbraw/zinc/03/16/99/527031699.db2.gz VNLWSOLCBJKIEO-UHFFFAOYSA-N 0 0 446.576 3.568 50 0 IHAARN NC(=O)c1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2Cl)cc1 ZINC000012933621 527050833 /nfs/dbraw/zinc/05/08/33/527050833.db2.gz KWWXJZJFRAPAFT-QFIPXVFZSA-N 0 0 448.906 3.749 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)Nc1ccc2c(c1)OCCO2 ZINC000012537630 527051254 /nfs/dbraw/zinc/05/12/54/527051254.db2.gz VSIBLUMROKGVCS-UHFFFAOYSA-N 0 0 447.314 3.736 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1ccccc1F ZINC000017190003 527056231 /nfs/dbraw/zinc/05/62/31/527056231.db2.gz BTNYNTZRFMVTPM-UHFFFAOYSA-N 0 0 427.526 3.810 50 0 IHAARN O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)NCCCc1ccccc1 ZINC000021657188 527072237 /nfs/dbraw/zinc/07/22/37/527072237.db2.gz RIHLJRTWLGROEP-UHFFFAOYSA-N 0 0 447.608 3.644 50 0 IHAARN Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000016192567 527080650 /nfs/dbraw/zinc/08/06/50/527080650.db2.gz ADPLQEKGYQOOKE-UHFFFAOYSA-N 0 0 441.944 3.759 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccnc1 ZINC000012376089 527087414 /nfs/dbraw/zinc/08/74/14/527087414.db2.gz MDXULLQKIQULMN-OAQYLSRUSA-N 0 0 430.430 3.692 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1 ZINC000012376095 527087782 /nfs/dbraw/zinc/08/77/82/527087782.db2.gz BQCZUWKNPWVRAK-OAQYLSRUSA-N 0 0 427.382 3.757 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000009253569 527093766 /nfs/dbraw/zinc/09/37/66/527093766.db2.gz CPWHQSFRPTXYRY-UHFFFAOYSA-N 0 0 447.351 3.901 50 0 IHAARN NC(=O)c1ncn2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(Br)c1 ZINC000012551100 527103778 /nfs/dbraw/zinc/10/37/78/527103778.db2.gz JEQCCLCOBZLUPA-UHFFFAOYSA-N 0 0 436.269 3.510 50 0 IHAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000012849350 527113022 /nfs/dbraw/zinc/11/30/22/527113022.db2.gz RMATYRAKTHFZCA-UHFFFAOYSA-N 0 0 449.902 3.820 50 0 IHAARN O=C1c2ccccc2S(=O)(=O)c2cc(-c3nn4c(nnc4-c4ccccc4)s3)ccc21 ZINC000012274129 527135519 /nfs/dbraw/zinc/13/55/19/527135519.db2.gz VMVLNZJCRZQBQB-UHFFFAOYSA-N 0 0 444.497 3.897 50 0 IHAARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 ZINC000020936058 527150168 /nfs/dbraw/zinc/15/01/68/527150168.db2.gz GQFMKRJECCRFQP-HXUWFJFHSA-N 0 0 432.549 3.579 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000015350589 527157119 /nfs/dbraw/zinc/15/71/19/527157119.db2.gz UFFCRSXQFDXNJN-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN O=C(Nc1ccc(CNC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1)c1ccco1 ZINC000022384789 527169335 /nfs/dbraw/zinc/16/93/35/527169335.db2.gz QNONOEBFUWGBQG-UHFFFAOYSA-N 0 0 433.493 3.872 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012812568 527174832 /nfs/dbraw/zinc/17/48/32/527174832.db2.gz DNKWNHKWZQVBCY-AWEZNQCLSA-N 0 0 429.325 3.703 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000012642760 527198207 /nfs/dbraw/zinc/19/82/07/527198207.db2.gz UEROATPOXDQOFA-UHFFFAOYSA-N 0 0 440.429 3.931 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000035074973 527203567 /nfs/dbraw/zinc/20/35/67/527203567.db2.gz OTQVZPBQAZFKFV-RBSFLKMASA-N 0 0 428.466 3.768 50 0 IHAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000021603078 527226354 /nfs/dbraw/zinc/22/63/54/527226354.db2.gz IXCCMYMCWFEFSJ-GOSISDBHSA-N 0 0 432.567 3.750 50 0 IHAARN O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000022767400 527227157 /nfs/dbraw/zinc/22/71/57/527227157.db2.gz LUNUHDINJRQVCD-JOCHJYFZSA-N 0 0 428.579 3.767 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000012764897 527256755 /nfs/dbraw/zinc/25/67/55/527256755.db2.gz OGTPGFGEWGKSJP-KRWDZBQOSA-N 0 0 445.441 3.692 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012783349 527279655 /nfs/dbraw/zinc/27/96/55/527279655.db2.gz OMQNGOWLEPHWEZ-INIZCTEOSA-N 0 0 429.416 3.882 50 0 IHAARN NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)cc2Cl)c1 ZINC000021464719 527306369 /nfs/dbraw/zinc/30/63/69/527306369.db2.gz CMTOKMXIUIXFML-UHFFFAOYSA-N 0 0 439.114 3.760 50 0 IHAARN O=S1(=O)C[C@H]2N=C(N(Cc3ccc(F)cc3Cl)c3ccc(F)cc3)S[C@H]2C1 ZINC000021523078 527316060 /nfs/dbraw/zinc/31/60/60/527316060.db2.gz GYKYOTUXBWRJMC-SJORKVTESA-N 0 0 428.913 3.893 50 0 IHAARN NS(=O)(=O)c1ccsc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012751603 527323926 /nfs/dbraw/zinc/32/39/26/527323926.db2.gz KDZKUEBFAADONW-UHFFFAOYSA-N 0 0 429.548 3.848 50 0 IHAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2ncccn2)CC1 ZINC000012922947 527332290 /nfs/dbraw/zinc/33/22/90/527332290.db2.gz CRXKKGPBUBNXNH-UHFFFAOYSA-N 0 0 433.459 3.510 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015584423 527371091 /nfs/dbraw/zinc/37/10/91/527371091.db2.gz SDGVETILZDMCFJ-HXUWFJFHSA-N 0 0 434.945 3.847 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)ccc21 ZINC000015784442 527374114 /nfs/dbraw/zinc/37/41/14/527374114.db2.gz QEKRHBWMBVSATH-FQEVSTJZSA-N 0 0 429.586 3.586 50 0 IHAARN Cn1cccc1C(=O)NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012690694 527387617 /nfs/dbraw/zinc/38/76/17/527387617.db2.gz YBWXYHKJLJOFNX-UHFFFAOYSA-N 0 0 442.556 3.758 50 0 IHAARN O=C(Nc1ccccc1)c1ccc(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000016685083 527398715 /nfs/dbraw/zinc/39/87/15/527398715.db2.gz QMNFMQAFALUWAZ-UHFFFAOYSA-N 0 0 441.578 3.507 50 0 IHAARN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012544806 527417293 /nfs/dbraw/zinc/41/72/93/527417293.db2.gz NOZTXHNKBGBMNJ-UHFFFAOYSA-N 0 0 442.884 3.563 50 0 IHAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000012854771 527427035 /nfs/dbraw/zinc/42/70/35/527427035.db2.gz GSJOARLXXJNFGP-UHFFFAOYSA-N 0 0 428.279 3.587 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000012578238 527451258 /nfs/dbraw/zinc/45/12/58/527451258.db2.gz WFHISSOHKQRKJF-SFHVURJKSA-N 0 0 435.286 3.502 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 ZINC000012577407 527452644 /nfs/dbraw/zinc/45/26/44/527452644.db2.gz HCCBRLPBHBUACP-INIZCTEOSA-N 0 0 435.240 3.683 50 0 IHAARN O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000017583971 527455278 /nfs/dbraw/zinc/45/52/78/527455278.db2.gz COUUSBJCCVDILP-UHFFFAOYSA-N 0 0 447.866 3.793 50 0 IHAARN O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013007149 527495949 /nfs/dbraw/zinc/49/59/49/527495949.db2.gz VNFDOKWXSADPTK-ZYTNRUGMSA-N 0 0 435.568 3.725 50 0 IHAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000035480140 527513603 /nfs/dbraw/zinc/51/36/03/527513603.db2.gz QHWAXURWQSUUER-UHFFFAOYSA-N 0 0 439.581 3.838 50 0 IHAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000033308115 527518474 /nfs/dbraw/zinc/51/84/74/527518474.db2.gz FZWAQLRBNNYQAO-UHFFFAOYSA-N 0 0 425.558 3.675 50 0 IHAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)N(C)Cc1ccccc1 ZINC000033307964 527519198 /nfs/dbraw/zinc/51/91/98/527519198.db2.gz ZJCGTQUFIDTJCK-UHFFFAOYSA-N 0 0 433.537 3.767 50 0 IHAARN Cn1nc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c2ccccc2c1=O ZINC000013145851 527545188 /nfs/dbraw/zinc/54/51/88/527545188.db2.gz BPPUKGZFIGHAEV-UHFFFAOYSA-N 0 0 442.850 3.523 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000014795489 527547201 /nfs/dbraw/zinc/54/72/01/527547201.db2.gz CIVQXICHPXMNTA-UHFFFAOYSA-N 0 0 432.933 3.645 50 0 IHAARN OCC[C@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1F ZINC000020996481 527573328 /nfs/dbraw/zinc/57/33/28/527573328.db2.gz HPTKXHBGQGWEFY-QFIPXVFZSA-N 0 0 428.939 3.734 50 0 IHAARN Nc1ncnc2sc3c(c21)CCN(C(=O)c1ccc(-n2cnc4ccccc42)cc1)C3 ZINC000012582516 527576579 /nfs/dbraw/zinc/57/65/79/527576579.db2.gz CRVHCTMHMHYXBG-UHFFFAOYSA-N 0 0 426.505 3.811 50 0 IHAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012860904 527616542 /nfs/dbraw/zinc/61/65/42/527616542.db2.gz NTUUSFBPISBMIL-JZLODUJNSA-N 0 0 426.460 3.850 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012468095 527635850 /nfs/dbraw/zinc/63/58/50/527635850.db2.gz CDYNYQKRVDTUKK-ROUUACIJSA-N 0 0 432.450 3.824 50 0 IHAARN Cn1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 ZINC000014519361 527654950 /nfs/dbraw/zinc/65/49/50/527654950.db2.gz RGZKNJVXJKXLDL-OAQYLSRUSA-N 0 0 425.448 3.584 50 0 IHAARN CC(C)CCn1nc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)c2ccccc2c1=O ZINC000009509896 534991423 /nfs/dbraw/zinc/99/14/23/534991423.db2.gz DMYCLGRVTKDGKV-GOSISDBHSA-N 0 0 447.535 3.967 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)N1CCCc2ccccc21 ZINC000009530281 535003593 /nfs/dbraw/zinc/00/35/93/535003593.db2.gz ZSHBRBUNBRSJDT-UHFFFAOYSA-N 0 0 429.567 3.674 50 0 IHAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000003295550 535140963 /nfs/dbraw/zinc/14/09/63/535140963.db2.gz IDBCNQXPPBXVCX-UHFFFAOYSA-N 0 0 436.508 3.911 50 0 IHAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1 ZINC000009969413 535832194 /nfs/dbraw/zinc/83/21/94/535832194.db2.gz WQDGKGYRDKNUJV-UHFFFAOYSA-N 0 0 439.581 3.781 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccc(F)c1 ZINC000013956264 535995251 /nfs/dbraw/zinc/99/52/51/535995251.db2.gz BNAFIDAMLCKEPS-UHFFFAOYSA-N 0 0 441.532 3.672 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000006846682 536116884 /nfs/dbraw/zinc/11/68/84/536116884.db2.gz DSKJWAZBCWZQSK-FQEVSTJZSA-N 0 0 425.504 3.952 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c2ccccc2O1 ZINC000013115686 536367810 /nfs/dbraw/zinc/36/78/10/536367810.db2.gz MTBJLROFQKQCFA-NRFANRHFSA-N 0 0 444.516 3.755 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1 ZINC000002693044 536642170 /nfs/dbraw/zinc/64/21/70/536642170.db2.gz CAFLQBRCCUPFTD-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)O[C@@H](C)C2 ZINC000014171642 536888857 /nfs/dbraw/zinc/88/88/57/536888857.db2.gz VWRPWZJMRFZACS-VFQAQYNWSA-N 0 0 447.457 3.794 50 0 IHAARN COc1cc(NC(=S)NC(=O)c2cccc(C)c2OC)ccc1NC(=O)c1ccco1 ZINC000000623553 555511407 /nfs/dbraw/zinc/51/14/07/555511407.db2.gz FRFAJYWCDRKVKG-UHFFFAOYSA-N 0 0 439.493 3.984 50 0 IHAARN Cn1c2nc(SCc3c(F)cccc3Cl)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000629296 555514040 /nfs/dbraw/zinc/51/40/40/555514040.db2.gz OGGOKIXWIHZOMM-UHFFFAOYSA-N 0 0 444.919 3.567 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000642340 555519028 /nfs/dbraw/zinc/51/90/28/555519028.db2.gz WYXCSLSMNAQWDA-UHFFFAOYSA-N 0 0 447.923 3.751 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1 ZINC000000645652 555520494 /nfs/dbraw/zinc/52/04/94/555520494.db2.gz ATOJVTPBGCURSN-UHFFFAOYSA-N 0 0 431.466 3.668 50 0 IHAARN CCOc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)o2)cc1 ZINC000000653671 555524102 /nfs/dbraw/zinc/52/41/02/555524102.db2.gz QPFAWZZMIDBGTK-IBGZPJMESA-N 0 0 430.354 3.678 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000000655636 555524780 /nfs/dbraw/zinc/52/47/80/555524780.db2.gz SUKJVSWWLNHYKF-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1 ZINC000000665992 555528583 /nfs/dbraw/zinc/52/85/83/555528583.db2.gz JSZLWQGELWALLZ-IBGZPJMESA-N 0 0 443.503 3.617 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000000666014 555528626 /nfs/dbraw/zinc/52/86/26/555528626.db2.gz RTBUNLWSCHEFBY-UHFFFAOYSA-N 0 0 434.561 3.683 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)NCCc2ccccc2)n1C ZINC000000667459 555529241 /nfs/dbraw/zinc/52/92/41/555529241.db2.gz KNNPPYNSXRVKQL-UHFFFAOYSA-N 0 0 440.569 3.552 50 0 IHAARN Cn1c2nc(SCc3ccc(F)cc3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000000677968 555535724 /nfs/dbraw/zinc/53/57/24/555535724.db2.gz DWNJBASZMJOCHA-UHFFFAOYSA-N 0 0 444.919 3.567 50 0 biogenic IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 ZINC000000687541 555540747 /nfs/dbraw/zinc/54/07/47/555540747.db2.gz IBQIKBYNUBPDAB-UHFFFAOYSA-N 0 0 440.525 3.610 50 0 IHAARN CCc1cc2c(cc1OC(=O)N1CCOCC1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000703827 555543926 /nfs/dbraw/zinc/54/39/26/555543926.db2.gz OWRJUIFKRPETOV-UHFFFAOYSA-N 0 0 437.448 3.625 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CC(C)(C)OC2 ZINC000000717327 555549211 /nfs/dbraw/zinc/54/92/11/555549211.db2.gz FLRAHBUDZNPBKZ-AWEZNQCLSA-N 0 0 435.542 3.981 50 0 biogenic IHAARN O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccccc2F)CC1 ZINC000000720112 555549775 /nfs/dbraw/zinc/54/97/75/555549775.db2.gz NSFVUNGTIDFZJL-UHFFFAOYSA-N 0 0 431.261 3.657 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3ccccn31)C[C@H](C)CC2 ZINC000000723997 555550819 /nfs/dbraw/zinc/55/08/19/555550819.db2.gz YYZIUMVIQKUMHB-GFCCVEGCSA-N 0 0 430.555 3.823 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000000778597 555554447 /nfs/dbraw/zinc/55/44/47/555554447.db2.gz JZHZIPFHIOAFKO-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN CCc1nnc2sc(-c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)nn12 ZINC000000815710 555562045 /nfs/dbraw/zinc/56/20/45/555562045.db2.gz GPBBYHZWMYMKGO-UHFFFAOYSA-N 0 0 439.497 3.693 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000824507 555564827 /nfs/dbraw/zinc/56/48/27/555564827.db2.gz PUMPLYRHZDLXRH-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1C ZINC000000837348 555567401 /nfs/dbraw/zinc/56/74/01/555567401.db2.gz NNWRWSVGZNKRGE-UHFFFAOYSA-N 0 0 430.555 3.796 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Br)c1O ZINC000000844386 555568740 /nfs/dbraw/zinc/56/87/40/555568740.db2.gz BAOKMQXGGXJCFB-MEBBXXQBSA-N 0 0 441.322 3.769 50 0 IHAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(=O)OCC)c1C ZINC000000846881 555569591 /nfs/dbraw/zinc/56/95/91/555569591.db2.gz VGONAAGMJGHGRO-VQHVLOKHSA-N 0 0 431.466 3.791 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000860597 555572075 /nfs/dbraw/zinc/57/20/75/555572075.db2.gz VOOSGOKCXVXTQC-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000862589 555572967 /nfs/dbraw/zinc/57/29/67/555572967.db2.gz GEVFSCXMJQZUHK-FQEVSTJZSA-N 0 0 427.526 3.534 50 0 IHAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3N2)cc1 ZINC000000866427 555573961 /nfs/dbraw/zinc/57/39/61/555573961.db2.gz MYSSZSBGYFKEBC-GOEBONIOSA-N 0 0 426.464 3.741 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000879268 555576853 /nfs/dbraw/zinc/57/68/53/555576853.db2.gz JJIYOCBRZGTLQO-UHFFFAOYSA-N 0 0 446.569 3.610 50 0 IHAARN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000891952 555579774 /nfs/dbraw/zinc/57/97/74/555579774.db2.gz SMFFQWVPBAQGMX-UHFFFAOYSA-N 0 0 432.542 3.666 50 0 IHAARN CC(=O)Oc1ccc(C(=O)N(C(=O)c2ccc(OC(C)=O)cc2)c2cc(C)ccn2)cc1 ZINC000000898044 555580546 /nfs/dbraw/zinc/58/05/46/555580546.db2.gz DHYUIUDXVMJVAM-UHFFFAOYSA-N 0 0 432.432 3.728 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)Nc1cccc(Cl)c1 ZINC000000915378 555583148 /nfs/dbraw/zinc/58/31/48/555583148.db2.gz FRKDHMHHPPJIPQ-QGZVFWFLSA-N 0 0 429.933 3.903 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000009584565 555591562 /nfs/dbraw/zinc/59/15/62/555591562.db2.gz YFZKDDZPSQZEGM-INIZCTEOSA-N 0 0 428.554 3.999 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000986083 555594890 /nfs/dbraw/zinc/59/48/90/555594890.db2.gz ZZZUJTCYTZDWJR-UHFFFAOYSA-N 0 0 444.468 3.655 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000000993292 555597531 /nfs/dbraw/zinc/59/75/31/555597531.db2.gz HJVJNMRZYCZMLA-YLJYHZDGSA-N 0 0 437.492 3.728 50 0 IHAARN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000001030016 555605439 /nfs/dbraw/zinc/60/54/39/555605439.db2.gz NPYFAQWMCOXPLB-UHFFFAOYSA-N 0 0 429.391 3.980 50 0 IHAARN COc1cccc(OC)c1NC(=O)NC(=O)c1c(OC)c(Cl)cc(Cl)c1OC ZINC000001031338 555606000 /nfs/dbraw/zinc/60/60/00/555606000.db2.gz UVTCYQKAPJYOGA-UHFFFAOYSA-N 0 0 429.256 3.990 50 0 IHAARN Cc1cc(C)cc(NC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000001033846 555607174 /nfs/dbraw/zinc/60/71/74/555607174.db2.gz HZBVCLVIIMJLGZ-SFHVURJKSA-N 0 0 449.338 3.971 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2nc(=O)c(Cc3ccc(Cl)cc3)nn12)c1ccccc1 ZINC000001035579 555608129 /nfs/dbraw/zinc/60/81/29/555608129.db2.gz PIOBVFDAGCMMGQ-UHFFFAOYSA-N 0 0 441.878 3.750 50 0 IHAARN COC(=O)c1scc(S(=O)(=O)C(C)C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000001037582 555608797 /nfs/dbraw/zinc/60/87/97/555608797.db2.gz BXPDXOHCCPOJND-UHFFFAOYSA-N 0 0 435.445 3.988 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)s2)s1 ZINC000001039510 555609336 /nfs/dbraw/zinc/60/93/36/555609336.db2.gz DQKXSNSENLQSRW-UHFFFAOYSA-N 0 0 436.646 3.538 50 0 IHAARN COc1ccc(Br)c(-c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c1 ZINC000001047031 555611113 /nfs/dbraw/zinc/61/11/13/555611113.db2.gz ORTLEDPRCAUNLS-UHFFFAOYSA-N 0 0 427.251 3.621 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000001061022 555616336 /nfs/dbraw/zinc/61/63/36/555616336.db2.gz FHSWLUVZNNHKEV-UHFFFAOYSA-N 0 0 438.461 3.728 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1OC ZINC000001066472 555618821 /nfs/dbraw/zinc/61/88/21/555618821.db2.gz GNPNXIYKSSKDIF-UHFFFAOYSA-N 0 0 445.519 3.919 50 0 IHAARN C[C@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000001068210 555619329 /nfs/dbraw/zinc/61/93/29/555619329.db2.gz COUKLZMONLHDCX-CYBMUJFWSA-N 0 0 442.610 3.964 50 0 IHAARN Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1C ZINC000001073092 555622293 /nfs/dbraw/zinc/62/22/93/555622293.db2.gz VEQNKWAEAKUOAD-AWEZNQCLSA-N 0 0 425.348 3.859 50 0 IHAARN Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000001074106 555623231 /nfs/dbraw/zinc/62/32/31/555623231.db2.gz WTPKOZVIKGALSH-UHFFFAOYSA-N 0 0 432.505 3.813 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000001077022 555624598 /nfs/dbraw/zinc/62/45/98/555624598.db2.gz NPSOUWWDUCSPDQ-UHFFFAOYSA-N 0 0 445.504 3.831 50 0 IHAARN O=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCOc1ccccc1 ZINC000001104706 555629258 /nfs/dbraw/zinc/62/92/58/555629258.db2.gz OTDKGDPNWPCXTL-RAXLEYEMSA-N 0 0 441.246 4.000 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000001108229 555629847 /nfs/dbraw/zinc/62/98/47/555629847.db2.gz CMQUWUBORMVNLZ-UHFFFAOYSA-N 0 0 445.504 3.847 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC000001111481 555631783 /nfs/dbraw/zinc/63/17/83/555631783.db2.gz PZHVAJAZPNCZOP-UHFFFAOYSA-N 0 0 443.338 3.773 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1C ZINC000001115117 555633969 /nfs/dbraw/zinc/63/39/69/555633969.db2.gz WPTJWXVCAPTQKG-AWEZNQCLSA-N 0 0 434.277 3.900 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001121592 555638281 /nfs/dbraw/zinc/63/82/81/555638281.db2.gz ATIMWOUDQQNPFV-UHFFFAOYSA-N 0 0 438.505 3.692 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(Br)c1 ZINC000001121921 555638553 /nfs/dbraw/zinc/63/85/53/555638553.db2.gz ZBJOKUQNWFMNHY-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(C)cc2)cc1 ZINC000001123029 555638823 /nfs/dbraw/zinc/63/88/23/555638823.db2.gz CBQOBFYTTRQDAF-UHFFFAOYSA-N 0 0 430.570 3.848 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000001123908 555639385 /nfs/dbraw/zinc/63/93/85/555639385.db2.gz ZEPSFWPZUCMAAI-UHFFFAOYSA-N 0 0 426.538 3.986 50 0 IHAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O ZINC000001125851 555640575 /nfs/dbraw/zinc/64/05/75/555640575.db2.gz PFBOVRCOYPTICR-CEITULEQSA-N 0 0 428.304 3.834 50 0 IHAARN Cc1cc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)ccc1Br ZINC000001128051 555642588 /nfs/dbraw/zinc/64/25/88/555642588.db2.gz ZRONZCGTJDZOMM-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)c(C)c1 ZINC000001128676 555642734 /nfs/dbraw/zinc/64/27/34/555642734.db2.gz CMCMVIIDIIBJHY-QGZVFWFLSA-N 0 0 437.569 3.962 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 ZINC000001130865 555644468 /nfs/dbraw/zinc/64/44/68/555644468.db2.gz BIHQUUYJDLBJQH-UHFFFAOYSA-N 0 0 438.549 3.900 50 0 IHAARN C[C@H]1CCCCN1C(=O)c1cc(I)ccc1NC(=O)c1cccnc1 ZINC000001132632 555645441 /nfs/dbraw/zinc/64/54/41/555645441.db2.gz XZIHKJZKWYMORM-ZDUSSCGKSA-N 0 0 449.292 3.953 50 0 IHAARN O=S(=O)(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000001136208 555647164 /nfs/dbraw/zinc/64/71/64/555647164.db2.gz GTIYDKVTMORNIK-UHFFFAOYSA-N 0 0 448.610 3.795 50 0 IHAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000001142541 555650933 /nfs/dbraw/zinc/65/09/33/555650933.db2.gz CBZSQNRUFDHTBP-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000001148020 555654691 /nfs/dbraw/zinc/65/46/91/555654691.db2.gz QNMVTOOINSMZIZ-OAHLLOKOSA-N 0 0 439.541 3.528 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000001150530 555656186 /nfs/dbraw/zinc/65/61/86/555656186.db2.gz YFNRULPEHJMRAX-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(Br)cc1 ZINC000001153205 555657420 /nfs/dbraw/zinc/65/74/20/555657420.db2.gz IPPCJJQJGVOROO-ZDUSSCGKSA-N 0 0 436.689 3.882 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000001153010 555657512 /nfs/dbraw/zinc/65/75/12/555657512.db2.gz GEOMCYTYXCHSNS-UHFFFAOYSA-N 0 0 446.931 3.986 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(C)c(C)c3)S2)cc1 ZINC000001153115 555657562 /nfs/dbraw/zinc/65/75/62/555657562.db2.gz LIMSSFOFKIBEHG-SFHVURJKSA-N 0 0 425.510 3.919 50 0 IHAARN COc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2C1=O ZINC000001154047 555657857 /nfs/dbraw/zinc/65/78/57/555657857.db2.gz NFPIOCJYQDSDSB-UHFFFAOYSA-N 0 0 433.391 3.675 50 0 IHAARN O=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000001158185 555660165 /nfs/dbraw/zinc/66/01/65/555660165.db2.gz JMRSJTBJRPQWOR-UHFFFAOYSA-N 0 0 434.277 3.782 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000001159899 555661176 /nfs/dbraw/zinc/66/11/76/555661176.db2.gz JDNBLVJDCLEQCI-UHFFFAOYSA-N 0 0 436.324 3.899 50 0 IHAARN COc1cccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001160671 555661535 /nfs/dbraw/zinc/66/15/35/555661535.db2.gz HWQPEMKSBBELAT-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000001163209 555662983 /nfs/dbraw/zinc/66/29/83/555662983.db2.gz DCJHWTWBPDRTFY-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2c(F)cccc2Cl)cc1 ZINC000001163605 555663331 /nfs/dbraw/zinc/66/33/31/555663331.db2.gz HILJSCCUHOSHGR-UHFFFAOYSA-N 0 0 438.952 3.991 50 0 IHAARN COc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001164713 555663570 /nfs/dbraw/zinc/66/35/70/555663570.db2.gz CEMAVWMKNPBAKH-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc(Br)c1O ZINC000001170937 555666427 /nfs/dbraw/zinc/66/64/27/555666427.db2.gz ONBLJPMYJKPZAU-PSLIRLAXSA-N 0 0 427.295 3.523 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001176444 555669774 /nfs/dbraw/zinc/66/97/74/555669774.db2.gz QNVJEYMUDVBBPY-NRFANRHFSA-N 0 0 447.874 3.973 50 0 IHAARN CCOc1c(I)cc(/C=C2\SC(=O)N(CC)C2=O)cc1OC ZINC000001180728 555671687 /nfs/dbraw/zinc/67/16/87/555671687.db2.gz UZXCTCXIEFCSRA-WQLSENKSSA-N 0 0 433.267 3.755 50 0 IHAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000001188973 555675176 /nfs/dbraw/zinc/67/51/76/555675176.db2.gz LEONNAOJNAKFCH-QGZVFWFLSA-N 0 0 437.290 3.682 50 0 IHAARN COc1ccc(CCNC(=O)COc2ccc(Cl)cc2Br)cc1OC ZINC000001212063 555682503 /nfs/dbraw/zinc/68/25/03/555682503.db2.gz IYNVLWSXQCNSQG-UHFFFAOYSA-N 0 0 428.710 3.857 50 0 IHAARN CC(=O)Oc1ccccc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000001215614 555683615 /nfs/dbraw/zinc/68/36/15/555683615.db2.gz TVUQPWDKTVCQJG-UHFFFAOYSA-N 0 0 426.384 3.581 50 0 IHAARN COc1ccc(/C=C2\N=C(c3ccccc3I)OC2=O)cc1OC ZINC000001307075 555689700 /nfs/dbraw/zinc/68/97/00/555689700.db2.gz KPCVSSVRAMWPAX-ZROIWOOFSA-N 0 0 435.217 3.653 50 0 IHAARN Cn1c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2n(C)c1=O ZINC000001416739 555695265 /nfs/dbraw/zinc/69/52/65/555695265.db2.gz MZCFCZVAYFMRNP-RQZCQDPDSA-N 0 0 431.876 3.906 50 0 IHAARN CCOC(=O)C1=C(CNc2ccc(C)c(Cl)c2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422881 555695586 /nfs/dbraw/zinc/69/55/86/555695586.db2.gz QGBIPJSKHPRBEM-HXUWFJFHSA-N 0 0 443.887 3.660 50 0 IHAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccn1)Nc1ccc(F)cc1 ZINC000001442537 555698177 /nfs/dbraw/zinc/69/81/77/555698177.db2.gz XRWDFUVZLQVTQJ-FQEVSTJZSA-N 0 0 434.496 3.752 50 0 IHAARN O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 ZINC000001445394 555698687 /nfs/dbraw/zinc/69/86/87/555698687.db2.gz DZMWAZDONAEOKN-UHFFFAOYSA-N 0 0 426.538 3.874 50 0 IHAARN CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)ccc1O ZINC000001459581 555700299 /nfs/dbraw/zinc/70/02/99/555700299.db2.gz FVNKCHQWEQJFKI-UHFFFAOYSA-N 0 0 441.455 3.643 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458426 555700334 /nfs/dbraw/zinc/70/03/34/555700334.db2.gz LEMUJQKQJCOLGK-OAQYLSRUSA-N 0 0 444.572 3.708 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001778252 555714378 /nfs/dbraw/zinc/71/43/78/555714378.db2.gz QZMVCWOAJDDBIM-HNNXBMFYSA-N 0 0 447.509 3.544 50 0 IHAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(F)c2)n2nc(CCCO)nc2N1 ZINC000001890479 555722672 /nfs/dbraw/zinc/72/26/72/555722672.db2.gz HHZPPIPHIGKKIS-HXUWFJFHSA-N 0 0 441.894 3.923 50 0 IHAARN COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1O ZINC000002057832 555731037 /nfs/dbraw/zinc/73/10/37/555731037.db2.gz ZXCTXNAJJZYGNM-LJQANCHMSA-N 0 0 446.887 3.647 50 0 biogenic,in-vitro IHAARN COc1cc(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)cc(Br)c1O ZINC000002076864 555736018 /nfs/dbraw/zinc/73/60/18/555736018.db2.gz GVKFYUUKRPNKQT-NVNXTCNLSA-N 0 0 431.311 3.550 50 0 IHAARN NC(=O)c1cnc(N2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c(Cl)c1 ZINC000071890508 555745931 /nfs/dbraw/zinc/74/59/31/555745931.db2.gz BMFXYSMXQNXPFM-OAHLLOKOSA-N 0 0 427.867 3.797 50 0 IHAARN CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC(C)=C(C(=O)OCC)[C@@H](c3ccccc3)N12 ZINC000002181272 555753805 /nfs/dbraw/zinc/75/38/05/555753805.db2.gz CPAJPJGFKGKVHJ-OAQYLSRUSA-N 0 0 446.507 3.942 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)C1=O ZINC000002205397 555757710 /nfs/dbraw/zinc/75/77/10/555757710.db2.gz RNQDQMDGHBXUFC-NRFANRHFSA-N 0 0 448.313 3.684 50 0 IHAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(N)=O)cc4)c3n2)cc1 ZINC000002338298 555769948 /nfs/dbraw/zinc/76/99/48/555769948.db2.gz AFPSTWBPQOQVDU-UHFFFAOYSA-N 0 0 437.406 3.694 50 0 IHAARN CCc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000002348631 555770928 /nfs/dbraw/zinc/77/09/28/555770928.db2.gz QWKCNUFXNHPOQF-UGKGYDQZSA-N 0 0 429.582 3.849 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cncc(Br)c1 ZINC000002653596 555792432 /nfs/dbraw/zinc/79/24/32/555792432.db2.gz MGBRLXRWGJGUPU-UHFFFAOYSA-N 0 0 430.224 3.952 50 0 IHAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl ZINC000002706997 555800797 /nfs/dbraw/zinc/80/07/97/555800797.db2.gz GILBFFGEKJRDCL-GFCCVEGCSA-N 0 0 440.780 3.618 50 0 IHAARN Cc1nn(C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1Br ZINC000002709714 555801105 /nfs/dbraw/zinc/80/11/05/555801105.db2.gz RSLLZHICSMCZKH-SFHVURJKSA-N 0 0 429.314 3.933 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000002730023 555803693 /nfs/dbraw/zinc/80/36/93/555803693.db2.gz KZJXQLIJSZFLAY-IBGZPJMESA-N 0 0 429.517 3.571 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002730075 555803731 /nfs/dbraw/zinc/80/37/31/555803731.db2.gz RITBPPNUKFRUIG-IBGZPJMESA-N 0 0 445.972 3.738 50 0 IHAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccccc2C)cc1 ZINC000034693397 555806515 /nfs/dbraw/zinc/80/65/15/555806515.db2.gz ZVKIFXBANVIEPM-UHFFFAOYSA-N 0 0 444.535 3.895 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccc(Cl)cc2)c1=O ZINC000034694194 555809500 /nfs/dbraw/zinc/80/95/00/555809500.db2.gz OXVJKYQADLFPRS-UHFFFAOYSA-N 0 0 444.869 3.985 50 0 IHAARN O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccc(I)cc1 ZINC000002755862 555811205 /nfs/dbraw/zinc/81/12/05/555811205.db2.gz WFHSGAYEFAWZTL-UHFFFAOYSA-N 0 0 447.166 3.844 50 0 IHAARN COCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683377 555818712 /nfs/dbraw/zinc/81/87/12/555818712.db2.gz GMSVDTVZKIBJFC-UHFFFAOYSA-N 0 0 442.556 3.665 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)C1CCC1 ZINC000034706557 555821674 /nfs/dbraw/zinc/82/16/74/555821674.db2.gz XDGPAEIHIRUYHD-HNNXBMFYSA-N 0 0 432.553 3.843 50 0 IHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3cccnc3)C[C@H](c3ccccc3)C2)cc1 ZINC000034709553 555823720 /nfs/dbraw/zinc/82/37/20/555823720.db2.gz XGJMDAXCSWFLIG-XZOQPEGZSA-N 0 0 429.520 3.653 50 0 IHAARN Cc1ccccc1OCCOc1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)nn1 ZINC000002815726 555828743 /nfs/dbraw/zinc/82/87/43/555828743.db2.gz AQBOCMQGCGWABJ-UHFFFAOYSA-N 0 0 439.520 3.861 50 0 IHAARN CCCCOc1ccc(Br)cc1[C@H]1NC(=S)N=C(C)C1C(=O)OCC ZINC000002818545 555829403 /nfs/dbraw/zinc/82/94/03/555829403.db2.gz OOHGBNTZKMEMRD-MRXNPFEDSA-N 0 0 427.364 3.984 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(NC(C)=O)c3)n2C)cc1 ZINC000002826471 555831499 /nfs/dbraw/zinc/83/14/99/555831499.db2.gz KJBPAAODECDCBM-AWEZNQCLSA-N 0 0 439.541 3.959 50 0 IHAARN CSc1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000002855846 555841403 /nfs/dbraw/zinc/84/14/03/555841403.db2.gz UTPASAPYBBLYNI-UHFFFAOYSA-N 0 0 429.361 3.576 50 0 IHAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000002860534 555844129 /nfs/dbraw/zinc/84/41/29/555844129.db2.gz AWKNWRPWAHSSQW-UHFFFAOYSA-N 0 0 449.330 3.559 50 0 IHAARN CCOc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(SC)cc1 ZINC000002869146 555849006 /nfs/dbraw/zinc/84/90/06/555849006.db2.gz RJRLJUDLCRLBIO-UHFFFAOYSA-N 0 0 436.599 3.917 50 0 IHAARN COc1ccc(OCCSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)cc1 ZINC000002869137 555849057 /nfs/dbraw/zinc/84/90/57/555849057.db2.gz JYTQTKUGXBYSDU-AWEZNQCLSA-N 0 0 430.505 3.625 50 0 IHAARN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCCC2=O)c1 ZINC000002871190 555849753 /nfs/dbraw/zinc/84/97/53/555849753.db2.gz SRWJYBGDDXXOLY-UHFFFAOYSA-N 0 0 449.290 3.781 50 0 IHAARN Cc1cc(C)cc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000002876293 555852499 /nfs/dbraw/zinc/85/24/99/555852499.db2.gz SHOMDBMFDVZLNF-HXUWFJFHSA-N 0 0 428.598 3.939 50 0 IHAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCc2ccccc2C1 ZINC000002882035 555855885 /nfs/dbraw/zinc/85/58/85/555855885.db2.gz BZAMGVNWTBAIJH-UHFFFAOYSA-N 0 0 442.581 3.570 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000002883236 555856546 /nfs/dbraw/zinc/85/65/46/555856546.db2.gz FEECNOIJOJYRCM-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CSc1nc(=NN2C(=O)c3ccccc3C2=O)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000002883139 555856554 /nfs/dbraw/zinc/85/65/54/555856554.db2.gz GQLVJBRUWBHLHR-UHFFFAOYSA-N 0 0 426.523 3.888 50 0 IHAARN COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccncc3)n2)cc1 ZINC000002885215 555857822 /nfs/dbraw/zinc/85/78/22/555857822.db2.gz MOBOICBBXAVHFX-UHFFFAOYSA-N 0 0 444.495 3.603 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000002890507 555859546 /nfs/dbraw/zinc/85/95/46/555859546.db2.gz WICGOQLPXPCYKM-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN CC(=O)Nc1cccc(NC(=S)N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c1 ZINC000002905326 555861273 /nfs/dbraw/zinc/86/12/73/555861273.db2.gz COFYMRJKILXNKU-LBPRGKRZSA-N 0 0 439.796 3.790 50 0 IHAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000002986154 555873957 /nfs/dbraw/zinc/87/39/57/555873957.db2.gz YVJMIMUYNXPLMB-UHFFFAOYSA-N 0 0 441.958 3.514 50 0 IHAARN COc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000002991578 555875195 /nfs/dbraw/zinc/87/51/95/555875195.db2.gz XLIAFOWFSWGCMP-UHFFFAOYSA-N 0 0 436.599 3.538 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 ZINC000002997902 555876620 /nfs/dbraw/zinc/87/66/20/555876620.db2.gz XYHNUKJSDFXKMC-JOCHJYFZSA-N 0 0 446.459 3.894 50 0 IHAARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1OC ZINC000002999714 555877660 /nfs/dbraw/zinc/87/76/60/555877660.db2.gz OHJADRFFGIZWFG-UHFFFAOYSA-N 0 0 426.263 3.744 50 0 biogenic,in-vitro IHAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003130655 555890223 /nfs/dbraw/zinc/89/02/23/555890223.db2.gz UXPYOQDAKWJFSP-AWEZNQCLSA-N 0 0 440.780 3.618 50 0 IHAARN O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1 ZINC000003143972 555891743 /nfs/dbraw/zinc/89/17/43/555891743.db2.gz BZMJLKPYYXYNET-UHFFFAOYSA-N 0 0 446.422 3.745 50 0 IHAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000003191089 555895954 /nfs/dbraw/zinc/89/59/54/555895954.db2.gz OGMUPLWFNQRDCA-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN Cc1cccc(C(=O)N2CCc3nc(N4CCOCC4)nc(Oc4cccc(F)c4)c3C2)c1 ZINC000034759598 555903830 /nfs/dbraw/zinc/90/38/30/555903830.db2.gz VACSONLTNBSCAE-UHFFFAOYSA-N 0 0 448.498 3.752 50 0 IHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1)N1CCOCC1 ZINC000034760947 555904058 /nfs/dbraw/zinc/90/40/58/555904058.db2.gz WGNLIPXVDFMLRT-UYRXBGFRSA-N 0 0 426.469 3.535 50 0 IHAARN COCC(=O)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccc(C)cc32)CC1 ZINC000034813710 555910670 /nfs/dbraw/zinc/91/06/70/555910670.db2.gz XHCDIQVNDAJJBE-UHFFFAOYSA-N 0 0 433.430 3.988 50 0 IHAARN CCc1[nH]nc(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034794956 555917473 /nfs/dbraw/zinc/91/74/73/555917473.db2.gz PJNYBJCZOPZPEO-UHFFFAOYSA-N 0 0 425.485 3.855 50 0 IHAARN O=C(Cc1ccccc1)N1CCN(Cc2noc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000034904667 555919234 /nfs/dbraw/zinc/91/92/34/555919234.db2.gz PBSQWYZTVDBZQO-UHFFFAOYSA-N 0 0 431.323 3.930 50 0 IHAARN CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000034906081 555920334 /nfs/dbraw/zinc/92/03/34/555920334.db2.gz IKATWBFVHWGNNQ-CVEARBPZSA-N 0 0 436.965 3.736 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)CC(C)C)cc1 ZINC000034857454 555924629 /nfs/dbraw/zinc/92/46/29/555924629.db2.gz KBDSKDBJBODSMY-QFIPXVFZSA-N 0 0 426.557 3.974 50 0 IHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C ZINC000034863354 555925138 /nfs/dbraw/zinc/92/51/38/555925138.db2.gz RVLRAAOTKCFQBD-IIDMSEBBSA-N 0 0 431.562 3.559 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670139 555945491 /nfs/dbraw/zinc/94/54/91/555945491.db2.gz BAOPTUUBTPHMIU-QFIPXVFZSA-N 0 0 427.382 3.618 50 0 IHAARN CCCCOC(=O)c1cccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000003953481 555951547 /nfs/dbraw/zinc/95/15/47/555951547.db2.gz JOEATBKKSNKBFF-UHFFFAOYSA-N 0 0 446.525 3.796 50 0 IHAARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 ZINC000004083936 555959614 /nfs/dbraw/zinc/95/96/14/555959614.db2.gz ZSRBNFBSUHAJRC-GOSISDBHSA-N 0 0 431.286 3.699 50 0 IHAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004112346 555963377 /nfs/dbraw/zinc/96/33/77/555963377.db2.gz UTHOPROUGTUCHE-YCFYUYSTSA-N 0 0 432.557 3.927 50 0 IHAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2cccc(Br)c2)NC(=O)N1 ZINC000004113598 555963834 /nfs/dbraw/zinc/96/38/34/555963834.db2.gz LJEIVVWWCMRFPD-GOSISDBHSA-N 0 0 445.269 3.549 50 0 IHAARN Cc1cc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000010552465 555976010 /nfs/dbraw/zinc/97/60/10/555976010.db2.gz CSRKMPKMHZSRIV-UHFFFAOYSA-N 0 0 430.476 3.933 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2OCc2noc(C)n2)c1C ZINC000010562249 556068964 /nfs/dbraw/zinc/06/89/64/556068964.db2.gz QLNJHYAGKCRVHO-AWEZNQCLSA-N 0 0 425.441 3.533 50 0 IHAARN CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000006073868 556073459 /nfs/dbraw/zinc/07/34/59/556073459.db2.gz KTOAOSYCUATONE-UHFFFAOYSA-N 0 0 449.120 3.938 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000006064613 556073550 /nfs/dbraw/zinc/07/35/50/556073550.db2.gz LTYYYZDURMWPGK-UHFFFAOYSA-N 0 0 431.901 3.578 50 0 IHAARN O=c1nc(CCN2C(=O)c3cccc4cccc(c43)C2=O)[nH]c2sc3c(c21)CCCC3 ZINC000006142218 556077495 /nfs/dbraw/zinc/07/74/95/556077495.db2.gz HFXSEGVJFPYSAP-UHFFFAOYSA-N 0 0 429.501 3.855 50 0 IHAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000002337626 556081422 /nfs/dbraw/zinc/08/14/22/556081422.db2.gz DNTFZYHBFPICSG-SANMLTNESA-N 0 0 445.471 3.821 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 ZINC000006292409 556084142 /nfs/dbraw/zinc/08/41/42/556084142.db2.gz LKIVFNXKPJBDEH-MRXNPFEDSA-N 0 0 437.521 3.801 50 0 IHAARN COC(=O)Cn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000018592669 556108876 /nfs/dbraw/zinc/10/88/76/556108876.db2.gz SXDBYIYZWAXEBY-ZDUSSCGKSA-N 0 0 445.928 3.651 50 0 IHAARN NC(=O)c1c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)sc2c1CCCC2 ZINC000002703742 556123054 /nfs/dbraw/zinc/12/30/54/556123054.db2.gz LYYTXJGRHDWGIG-FQEVSTJZSA-N 0 0 439.562 3.838 50 0 IHAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccccc1C(F)(F)F)c2=O ZINC000002712236 556125375 /nfs/dbraw/zinc/12/53/75/556125375.db2.gz QOJBPEYMXDOWOW-UHFFFAOYSA-N 0 0 448.397 3.601 50 0 IHAARN COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c(OC)c1 ZINC000002716355 556130811 /nfs/dbraw/zinc/13/08/11/556130811.db2.gz AJZLLYUBZIWISU-UHFFFAOYSA-N 0 0 446.503 3.920 50 0 IHAARN CCc1c(C)sc2nc(C)n(NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)c(=O)c12 ZINC000002781815 556138133 /nfs/dbraw/zinc/13/81/33/556138133.db2.gz MJYBHXDMAOBVGG-UHFFFAOYSA-N 0 0 447.870 3.585 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccccc2s1 ZINC000002768232 556139909 /nfs/dbraw/zinc/13/99/09/556139909.db2.gz PTHBUJGHUVWRGL-QGZVFWFLSA-N 0 0 425.510 3.623 50 0 IHAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCn4cc(C)cn4)c3n2)cc1 ZINC000002795452 556145600 /nfs/dbraw/zinc/14/56/00/556145600.db2.gz NRCHOPXHBNPVAH-UHFFFAOYSA-N 0 0 440.454 3.668 50 0 IHAARN CC[C@@H](C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1)n1cc(Br)cn1 ZINC000002808651 556146717 /nfs/dbraw/zinc/14/67/17/556146717.db2.gz LOELGCCHZRUXNJ-INIZCTEOSA-N 0 0 444.362 3.759 50 0 IHAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3ccc(OC)cc3OC)c2c1C ZINC000002912218 556148819 /nfs/dbraw/zinc/14/88/19/556148819.db2.gz DBKPYBVVEGECLP-UHFFFAOYSA-N 0 0 445.497 3.653 50 0 IHAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Br)c(C)c4)n(C)c3nc12 ZINC000002917435 556149057 /nfs/dbraw/zinc/14/90/57/556149057.db2.gz CSFINUPXWLNROX-UHFFFAOYSA-N 0 0 425.286 3.818 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3cc(C)c4ccccc4n31)CC2 ZINC000002890833 556149425 /nfs/dbraw/zinc/14/94/25/556149425.db2.gz GAQRLAFMQNFKHU-UHFFFAOYSA-N 0 0 448.548 3.885 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3ccc4ccccc4n31)CC2 ZINC000002890832 556149546 /nfs/dbraw/zinc/14/95/46/556149546.db2.gz AZXGKFCZJAQWLW-UHFFFAOYSA-N 0 0 434.521 3.577 50 0 IHAARN CCCCc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000003007735 556156981 /nfs/dbraw/zinc/15/69/81/556156981.db2.gz SONFQOSJCPGASO-UHFFFAOYSA-N 0 0 447.535 3.664 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3F)cc2)cc1 ZINC000008384410 556160235 /nfs/dbraw/zinc/16/02/35/556160235.db2.gz BIVBECTZHNXQLA-UHFFFAOYSA-N 0 0 428.437 3.942 50 0 IHAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3n2)c1 ZINC000008396913 556163963 /nfs/dbraw/zinc/16/39/63/556163963.db2.gz ULWYJGOHMGKKDL-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008400770 556166270 /nfs/dbraw/zinc/16/62/70/556166270.db2.gz XOZVUMILKWBLEZ-UHFFFAOYSA-N 0 0 443.960 3.921 50 0 IHAARN O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000008424385 556167939 /nfs/dbraw/zinc/16/79/39/556167939.db2.gz VUHUMWPLMVQDLQ-GGAORHGYSA-N 0 0 445.471 3.714 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008425825 556168576 /nfs/dbraw/zinc/16/85/76/556168576.db2.gz FQKKRMLEYKXHRJ-GFCAVMEOSA-N 0 0 446.572 3.706 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000008449742 556181015 /nfs/dbraw/zinc/18/10/15/556181015.db2.gz PGTFTONWDNTEMZ-SGNKAXLRSA-N 0 0 431.488 3.879 50 0 IHAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)c1 ZINC000008599524 556190702 /nfs/dbraw/zinc/19/07/02/556190702.db2.gz LICYYFAUNUCCAP-JOCHJYFZSA-N 0 0 446.482 3.938 50 0 IHAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000008599831 556191022 /nfs/dbraw/zinc/19/10/22/556191022.db2.gz KGQLDMVFEHYSJF-FQEVSTJZSA-N 0 0 443.459 3.782 50 0 IHAARN CCOC(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1NC(=S)NC(=O)OCC ZINC000008648846 556196621 /nfs/dbraw/zinc/19/66/21/556196621.db2.gz VFIQKAQJODZPOH-UHFFFAOYSA-N 0 0 426.564 3.870 50 0 IHAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000008722534 556203394 /nfs/dbraw/zinc/20/33/94/556203394.db2.gz CDXLCWHQUHSOSU-UHFFFAOYSA-N 0 0 441.480 3.795 50 0 IHAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000010607873 556215299 /nfs/dbraw/zinc/21/52/99/556215299.db2.gz RDKQTJNZBADHCQ-KRWDZBQOSA-N 0 0 436.508 3.832 50 0 IHAARN CCCCOc1ccc(OCCNC(=O)[C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 ZINC000008815929 556217399 /nfs/dbraw/zinc/21/73/99/556217399.db2.gz KYXWRTFVYJULNV-LJQANCHMSA-N 0 0 442.512 3.504 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000097478427 556224279 /nfs/dbraw/zinc/22/42/79/556224279.db2.gz ZLODGQSEXIHXBD-CBPXPLCBSA-N 0 0 428.419 3.817 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000009075478 556245095 /nfs/dbraw/zinc/24/50/95/556245095.db2.gz LTRNGPZUYFPGMH-UHFFFAOYSA-N 0 0 425.514 3.570 50 0 IHAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc(OCC)c1OCC ZINC000009113720 556247819 /nfs/dbraw/zinc/24/78/19/556247819.db2.gz KCZWIDOHVCWNCT-UHFFFAOYSA-N 0 0 445.541 3.968 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009197224 556255292 /nfs/dbraw/zinc/25/52/92/556255292.db2.gz FZHAKYCOUQIITQ-MSOLQXFVSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197186 556255349 /nfs/dbraw/zinc/25/53/49/556255349.db2.gz SZOCQUQPMLFMIZ-QZTJIDSGSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009197690 556255877 /nfs/dbraw/zinc/25/58/77/556255877.db2.gz WYMFHUAREPBESY-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231913 556261279 /nfs/dbraw/zinc/26/12/79/556261279.db2.gz RPKOJHQQKKZKFT-HNNXBMFYSA-N 0 0 445.313 3.546 50 0 IHAARN CCn1c(CCC(=O)Nc2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000009262798 556269839 /nfs/dbraw/zinc/26/98/39/556269839.db2.gz VXFIIZULNFWYAR-UHFFFAOYSA-N 0 0 442.516 3.992 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)cc1 ZINC000009287999 556272463 /nfs/dbraw/zinc/27/24/63/556272463.db2.gz CRUHWXXAMWQTLU-HXUWFJFHSA-N 0 0 437.496 3.685 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)cc1 ZINC000009288000 556272614 /nfs/dbraw/zinc/27/26/14/556272614.db2.gz CRUHWXXAMWQTLU-FQEVSTJZSA-N 0 0 437.496 3.685 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Br)c3)[nH]2)cc1 ZINC000009302492 556275972 /nfs/dbraw/zinc/27/59/72/556275972.db2.gz DZPDPIDFDMKEAR-UHFFFAOYSA-N 0 0 433.331 3.897 50 0 IHAARN CC1(C)Cc2sc3c(ncn(CC(=O)c4ccc(Br)cc4)c3=O)c2CO1 ZINC000013686199 556276391 /nfs/dbraw/zinc/27/63/91/556276391.db2.gz WQHZSNVKBWSSQL-UHFFFAOYSA-N 0 0 433.327 3.955 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccc(C)c1 ZINC000009307554 556277586 /nfs/dbraw/zinc/27/75/86/556277586.db2.gz MZQXBUJYGHTXJA-UHFFFAOYSA-N 0 0 439.541 3.971 50 0 IHAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000013693184 556282633 /nfs/dbraw/zinc/28/26/33/556282633.db2.gz UIGAHOWCOBVOKH-UHFFFAOYSA-N 0 0 449.488 3.953 50 0 IHAARN Cc1c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C ZINC000009354638 556284809 /nfs/dbraw/zinc/28/48/09/556284809.db2.gz QJVRQGGLDAZMQM-UHFFFAOYSA-N 0 0 438.597 3.904 50 0 IHAARN O=C(NCc1ccccn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000009410572 556288180 /nfs/dbraw/zinc/28/81/80/556288180.db2.gz MDRYMFTVWPUVFC-KBXCAEBGSA-N 0 0 445.401 3.597 50 0 IHAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccn4)c3N2)cc1 ZINC000009411000 556288488 /nfs/dbraw/zinc/28/84/88/556288488.db2.gz QVSNFGNZVHFXDI-MSOLQXFVSA-N 0 0 431.418 3.877 50 0 IHAARN CCc1cc(I)ccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000009493464 556294793 /nfs/dbraw/zinc/29/47/93/556294793.db2.gz RLGNEBAHZGBIRJ-SOFGYWHQSA-N 0 0 426.279 3.973 50 0 IHAARN COc1ccc2[nH]cc(CCn3ccc4c(cnc5nc(-c6ccccc6)nn54)c3=O)c2c1 ZINC000013733157 556296858 /nfs/dbraw/zinc/29/68/58/556296858.db2.gz VXRKGMGOZCPOJW-UHFFFAOYSA-N 0 0 436.475 3.839 50 0 IHAARN O=C(COc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC000009545517 556297372 /nfs/dbraw/zinc/29/73/72/556297372.db2.gz WTTGMLFWUHVVER-ATVHPVEESA-N 0 0 448.447 3.520 50 0 IHAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OCCSC)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559814 556298300 /nfs/dbraw/zinc/29/83/00/556298300.db2.gz WLJWDJWWGNFSFK-CYBMUJFWSA-N 0 0 433.526 3.781 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 ZINC000009601204 556302475 /nfs/dbraw/zinc/30/24/75/556302475.db2.gz PFIQKDRCOLLGLQ-CQSZACIVSA-N 0 0 443.960 3.999 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009601685 556302682 /nfs/dbraw/zinc/30/26/82/556302682.db2.gz RFJWWBFQOYSKJP-UHFFFAOYSA-N 0 0 446.525 3.796 50 0 IHAARN Cc1cc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)ccc1Br ZINC000009661366 556304400 /nfs/dbraw/zinc/30/44/00/556304400.db2.gz CFPYCIIWQRIRMT-UHFFFAOYSA-N 0 0 437.297 3.999 50 0 IHAARN CCn1c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2nc(C)c1=O ZINC000032738193 556307461 /nfs/dbraw/zinc/30/74/61/556307461.db2.gz HIXSVJQSGGZTEW-UHFFFAOYSA-N 0 0 447.322 3.742 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000032738655 556308618 /nfs/dbraw/zinc/30/86/18/556308618.db2.gz VAPJPRWWWREPBS-ROUUACIJSA-N 0 0 428.554 3.646 50 0 IHAARN Cc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000013805406 556311220 /nfs/dbraw/zinc/31/12/20/556311220.db2.gz IJPNUJIOHRCEAT-FQEVSTJZSA-N 0 0 445.972 3.944 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000032745216 556314852 /nfs/dbraw/zinc/31/48/52/556314852.db2.gz DFAKHTMCIXFFAW-UHFFFAOYSA-N 0 0 440.525 3.666 50 0 IHAARN COc1cccc(-c2nnn(CC(=O)N(CCc3ccccc3)Cc3cccs3)n2)c1 ZINC000032745323 556315107 /nfs/dbraw/zinc/31/51/07/556315107.db2.gz BMTJAPLOHNNDHC-UHFFFAOYSA-N 0 0 433.537 3.682 50 0 IHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1cccnc1 ZINC000009892731 556315703 /nfs/dbraw/zinc/31/57/03/556315703.db2.gz BYLMJKLQSCKQDX-UHFFFAOYSA-N 0 0 441.896 3.548 50 0 IHAARN COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000009905435 556315826 /nfs/dbraw/zinc/31/58/26/556315826.db2.gz KWUTYEDIYRDPHR-OAQYLSRUSA-N 0 0 449.511 3.848 50 0 IHAARN O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000032747557 556316296 /nfs/dbraw/zinc/31/62/96/556316296.db2.gz RXKHQNOFJCDKTN-UHFFFAOYSA-N 0 0 428.895 3.806 50 0 IHAARN Cc1ccc(Cn2cc(C(=O)NCCC(=O)N3CCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000032747564 556316354 /nfs/dbraw/zinc/31/63/54/556316354.db2.gz VZJCQCOMUBEPAO-UHFFFAOYSA-N 0 0 430.552 3.958 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)c1 ZINC000009934217 556317933 /nfs/dbraw/zinc/31/79/33/556317933.db2.gz HZRBQOKAJCBNLF-HXUWFJFHSA-N 0 0 437.496 3.685 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CN(C)CCOc3cccc(Cl)c3)s2)cc1 ZINC000032753108 556317929 /nfs/dbraw/zinc/31/79/29/556317929.db2.gz KPBAWKVOCSNZQU-UHFFFAOYSA-N 0 0 432.933 3.963 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000032759179 556318759 /nfs/dbraw/zinc/31/87/59/556318759.db2.gz DPKYUIZAWBKVNB-QGZVFWFLSA-N 0 0 434.359 3.795 50 0 IHAARN Cc1ccc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C ZINC000032759272 556319177 /nfs/dbraw/zinc/31/91/77/556319177.db2.gz LLTNADYSJCLSCA-JOCHJYFZSA-N 0 0 429.563 3.775 50 0 IHAARN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000010001869 556320427 /nfs/dbraw/zinc/32/04/27/556320427.db2.gz HEASFOTXCKHELO-LFIBNONCSA-N 0 0 436.533 3.868 50 0 IHAARN COc1cc(NC(=O)Nc2nccn(-c3ccc(Br)cc3)c2=O)cc(OC)c1 ZINC000065060697 556322179 /nfs/dbraw/zinc/32/21/79/556322179.db2.gz YWWRFANIWYBGDI-UHFFFAOYSA-N 0 0 445.273 3.656 50 0 IHAARN CN(C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000032754418 556323444 /nfs/dbraw/zinc/32/34/44/556323444.db2.gz OZFWRUPRMPUXBR-QFIPXVFZSA-N 0 0 425.960 3.634 50 0 IHAARN CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754878 556324089 /nfs/dbraw/zinc/32/40/89/556324089.db2.gz VBMZEBTUOGIQBB-IBGZPJMESA-N 0 0 438.509 3.737 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c4c(cccc4c2=O)-c2ccccc2-3)cc1 ZINC000010233274 556328359 /nfs/dbraw/zinc/32/83/59/556328359.db2.gz RTBBEDSVQYPOQR-UHFFFAOYSA-N 0 0 425.444 3.859 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)cc1 ZINC000010295479 556329716 /nfs/dbraw/zinc/32/97/16/556329716.db2.gz BJNXBMRAOTVHNQ-HXUWFJFHSA-N 0 0 429.484 3.837 50 0 IHAARN O=C(NCc1cccnc1-n1ccnc1)c1cc(Br)c(Br)s1 ZINC000032778085 556331196 /nfs/dbraw/zinc/33/11/96/556331196.db2.gz TUDTZSXPJZQHRO-UHFFFAOYSA-N 0 0 442.136 3.784 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCc2sccc2[C@@H]1C ZINC000032764763 556331941 /nfs/dbraw/zinc/33/19/41/556331941.db2.gz QDNKOTDMAHBVRM-HNNXBMFYSA-N 0 0 432.615 3.877 50 0 IHAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)CC1=O ZINC000010461822 556335603 /nfs/dbraw/zinc/33/56/03/556335603.db2.gz QUCDTOGCFKPXCA-KRWDZBQOSA-N 0 0 439.512 3.543 50 0 IHAARN O=C(NCc1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008671522 556340242 /nfs/dbraw/zinc/34/02/42/556340242.db2.gz ZOOSKMZFJZCSAR-UHFFFAOYSA-N 0 0 434.561 3.726 50 0 IHAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)N1CCCCC1 ZINC000011412054 556340912 /nfs/dbraw/zinc/34/09/12/556340912.db2.gz FZQXIEFPZJKCOF-UHFFFAOYSA-N 0 0 435.981 3.627 50 0 IHAARN O=C(OCc1nnc(-c2ccc(Br)cc2)o1)c1cc(=O)[nH]c2ccccc21 ZINC000011459764 556341490 /nfs/dbraw/zinc/34/14/90/556341490.db2.gz LIVJETQYIYYUMI-UHFFFAOYSA-N 0 0 426.226 3.698 50 0 IHAARN CSCc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)o1 ZINC000011665358 556345995 /nfs/dbraw/zinc/34/59/95/556345995.db2.gz BCIGXOBKOZSOOH-GOSISDBHSA-N 0 0 429.586 3.871 50 0 IHAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)N1 ZINC000013960040 556346961 /nfs/dbraw/zinc/34/69/61/556346961.db2.gz BQRVWFQTSYBUHJ-HNNXBMFYSA-N 0 0 437.205 3.699 50 0 IHAARN O=C(CCSCc1cc(=O)n2c(n1)sc1c2CCCC1)N1CCc2ccccc21 ZINC000032778762 556351797 /nfs/dbraw/zinc/35/17/97/556351797.db2.gz CAOYVLHMWRSODQ-UHFFFAOYSA-N 0 0 425.579 3.847 50 0 IHAARN COC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000011788042 556354199 /nfs/dbraw/zinc/35/41/99/556354199.db2.gz UNYLTXSCLNMVQM-AMGIVPHBSA-N 0 0 448.563 3.610 50 0 IHAARN Cn1c(C(=O)NC[C@@H]2CCC3(CCN(C(=O)Cc4ccccc4)CC3)O2)cc2ccccc21 ZINC000011787329 556354218 /nfs/dbraw/zinc/35/42/18/556354218.db2.gz XNTOSJHGRZMZQV-QFIPXVFZSA-N 0 0 445.563 3.691 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000014068773 556360015 /nfs/dbraw/zinc/36/00/15/556360015.db2.gz APBRYQNAYRRBLH-LJQANCHMSA-N 0 0 425.504 3.799 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)N3CCc4ccccc4C3)c2=O)cc1 ZINC000014071424 556361180 /nfs/dbraw/zinc/36/11/80/556361180.db2.gz HYMAMWFIAXWRDA-UHFFFAOYSA-N 0 0 439.515 3.912 50 0 IHAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014083786 556363619 /nfs/dbraw/zinc/36/36/19/556363619.db2.gz BEXOVKDJLWTITC-UHFFFAOYSA-N 0 0 435.549 3.615 50 0 IHAARN O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000014113813 556370520 /nfs/dbraw/zinc/37/05/20/556370520.db2.gz YLTRYTDMZMHQPJ-FQEVSTJZSA-N 0 0 426.866 3.824 50 0 IHAARN CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1nc2ccccc2s1 ZINC000014114735 556370535 /nfs/dbraw/zinc/37/05/35/556370535.db2.gz SRTKJODCWFJVAY-UHFFFAOYSA-N 0 0 448.548 3.914 50 0 IHAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000014121203 556371965 /nfs/dbraw/zinc/37/19/65/556371965.db2.gz ADPHHFOWEGIKQE-QHCPKHFHSA-N 0 0 440.478 3.731 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2N)cc1 ZINC000014125637 556373562 /nfs/dbraw/zinc/37/35/62/556373562.db2.gz NVYOIMWMZZCNCI-HNNXBMFYSA-N 0 0 437.569 3.516 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1N1CCCC1=O ZINC000014129012 556374159 /nfs/dbraw/zinc/37/41/59/556374159.db2.gz KKXWISHFULYZEF-UHFFFAOYSA-N 0 0 447.944 3.504 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)cs1 ZINC000014129151 556374280 /nfs/dbraw/zinc/37/42/80/556374280.db2.gz ASUCUFJYYDSIIN-MRXNPFEDSA-N 0 0 435.505 3.881 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1 ZINC000011913156 556375978 /nfs/dbraw/zinc/37/59/78/556375978.db2.gz KGQUANFVRBGRGO-HXUWFJFHSA-N 0 0 445.485 3.631 50 0 IHAARN CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000014138975 556376171 /nfs/dbraw/zinc/37/61/71/556376171.db2.gz XZKRKXNYPYVQKM-UHFFFAOYSA-N 0 0 438.018 3.540 50 0 IHAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000011933355 556376917 /nfs/dbraw/zinc/37/69/17/556376917.db2.gz FYJSARQXVLJNFA-OAHLLOKOSA-N 0 0 430.936 3.824 50 0 IHAARN CC1=C(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)OCCO1 ZINC000011934461 556377636 /nfs/dbraw/zinc/37/76/36/556377636.db2.gz GOWPXRISOQFINT-HNNXBMFYSA-N 0 0 426.435 3.941 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000014161338 556378233 /nfs/dbraw/zinc/37/82/33/556378233.db2.gz UHSCXSRJOSKKHH-FQEVSTJZSA-N 0 0 426.476 3.846 50 0 IHAARN O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000011936603 556378648 /nfs/dbraw/zinc/37/86/48/556378648.db2.gz MIQDTKGKVKBDRL-SFHVURJKSA-N 0 0 425.483 3.879 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)CSc2ccncc2)C1 ZINC000011936975 556379177 /nfs/dbraw/zinc/37/91/77/556379177.db2.gz PRMBHELMPAICBP-HSZRJFAPSA-N 0 0 428.554 3.597 50 0 IHAARN CCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000014166144 556379842 /nfs/dbraw/zinc/37/98/42/556379842.db2.gz PNVDLLRXLGKMQI-UHFFFAOYSA-N 0 0 436.599 3.775 50 0 IHAARN COc1ccc(C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccc(OC)cc2)cc1 ZINC000014168410 556380505 /nfs/dbraw/zinc/38/05/05/556380505.db2.gz JTFUFRRGUWUURQ-QFIPXVFZSA-N 0 0 429.480 3.598 50 0 IHAARN C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000014168961 556380815 /nfs/dbraw/zinc/38/08/15/556380815.db2.gz PNOWRPVDLVYQCU-FQEVSTJZSA-N 0 0 439.515 3.603 50 0 IHAARN Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000011968093 556382134 /nfs/dbraw/zinc/38/21/34/556382134.db2.gz SWVQMCUUASGPOU-UHFFFAOYSA-N 0 0 429.590 3.830 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCc2cccs2)cc1 ZINC000014182900 556383090 /nfs/dbraw/zinc/38/30/90/556383090.db2.gz NGPBKWVIRVYZLK-UHFFFAOYSA-N 0 0 444.578 3.701 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)N(C)C ZINC000014183712 556383444 /nfs/dbraw/zinc/38/34/44/556383444.db2.gz BGRHAYHIGQMXJA-JOCHJYFZSA-N 0 0 448.567 3.554 50 0 IHAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 ZINC000014183843 556383747 /nfs/dbraw/zinc/38/37/47/556383747.db2.gz WAJSDDKHFUUUKD-HHHXNRCGSA-N 0 0 441.531 3.991 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000014184550 556384527 /nfs/dbraw/zinc/38/45/27/556384527.db2.gz GLJHLTBNOJHBKQ-UHFFFAOYSA-N 0 0 438.343 3.980 50 0 IHAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)Cc3cccs3)cc2)CC1 ZINC000012019847 556386786 /nfs/dbraw/zinc/38/67/86/556386786.db2.gz CBFDSBNMKKQGPN-QGZVFWFLSA-N 0 0 430.570 3.515 50 0 IHAARN O=C(CN1C(=O)CSC1=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000012022812 556386977 /nfs/dbraw/zinc/38/69/77/556386977.db2.gz ZVGIDYJAVFKSLY-NRFANRHFSA-N 0 0 441.459 3.616 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000014189202 556387299 /nfs/dbraw/zinc/38/72/99/556387299.db2.gz MNNUPMFNEPCQMC-CYBMUJFWSA-N 0 0 441.738 3.671 50 0 IHAARN CCOc1ccc(OCCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000014190565 556388141 /nfs/dbraw/zinc/38/81/41/556388141.db2.gz UULVLLQGXNPXRR-UHFFFAOYSA-N 0 0 432.929 3.878 50 0 IHAARN C[C@@]1(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012042394 556391441 /nfs/dbraw/zinc/39/14/41/556391441.db2.gz RSTDJSUCDATTSP-NRFANRHFSA-N 0 0 449.935 3.904 50 0 IHAARN COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)c2ccc(C(C)=O)s2)CC3)c1 ZINC000012050597 556392044 /nfs/dbraw/zinc/39/20/44/556392044.db2.gz AIZCAOLUVFJFSU-LJQANCHMSA-N 0 0 440.565 3.561 50 0 IHAARN CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012052312 556392843 /nfs/dbraw/zinc/39/28/43/556392843.db2.gz XIKHHNWADDFDJE-UHFFFAOYSA-N 0 0 444.535 3.682 50 0 IHAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC[C@@H]1C(=O)NCC(F)(F)F ZINC000032809572 556394533 /nfs/dbraw/zinc/39/45/33/556394533.db2.gz LYWGHGMFEZTQGM-CQSZACIVSA-N 0 0 431.867 3.676 50 0 IHAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O ZINC000014228401 556395818 /nfs/dbraw/zinc/39/58/18/556395818.db2.gz FCWUPQCXVLLYGK-UYAOXDASSA-N 0 0 448.592 3.550 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N(C)Cc3ccccc3C)c2c1 ZINC000014241472 556401745 /nfs/dbraw/zinc/40/17/45/556401745.db2.gz RCQGBALUBSVZHK-UHFFFAOYSA-N 0 0 441.553 3.552 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000022930015 556403576 /nfs/dbraw/zinc/40/35/76/556403576.db2.gz OMHVGYRISXEPGH-UHFFFAOYSA-N 0 0 428.964 3.542 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014244113 556403743 /nfs/dbraw/zinc/40/37/43/556403743.db2.gz DZRSCUCKNIPLKE-CJNGLKHVSA-N 0 0 440.587 3.641 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244254 556403904 /nfs/dbraw/zinc/40/39/04/556403904.db2.gz FXDUGTSPQYDLFG-SFHVURJKSA-N 0 0 447.560 3.764 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1OC ZINC000014244469 556404269 /nfs/dbraw/zinc/40/42/69/556404269.db2.gz CXNXCEWYCULAQM-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000014245046 556404718 /nfs/dbraw/zinc/40/47/18/556404718.db2.gz FMAYNNLBCMZXOA-ZDUSSCGKSA-N 0 0 426.460 3.770 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014245029 556404734 /nfs/dbraw/zinc/40/47/34/556404734.db2.gz VAMUULYQXAVBBO-HXUWFJFHSA-N 0 0 444.457 3.713 50 0 IHAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219264264 556405137 /nfs/dbraw/zinc/40/51/37/556405137.db2.gz XVYVWWNCDODJOR-IBGZPJMESA-N 0 0 437.587 3.678 50 0 IHAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3cccs3)n2)cc1 ZINC000014246535 556406578 /nfs/dbraw/zinc/40/65/78/556406578.db2.gz WCKFTZDMRCXUSP-UHFFFAOYSA-N 0 0 448.508 3.691 50 0 IHAARN CCOc1c(Br)cc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1OC ZINC000014246787 556406614 /nfs/dbraw/zinc/40/66/14/556406614.db2.gz ZUEBVSBRNNQILX-UHFFFAOYSA-N 0 0 434.334 3.782 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)sc2c1CCC2 ZINC000032593629 556407245 /nfs/dbraw/zinc/40/72/45/556407245.db2.gz MURJUXRWKMMUFU-UHFFFAOYSA-N 0 0 431.491 3.702 50 0 IHAARN COCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 ZINC000014249160 556407982 /nfs/dbraw/zinc/40/79/82/556407982.db2.gz MNMBFSRDECMBCB-UHFFFAOYSA-N 0 0 436.541 3.625 50 0 IHAARN COc1ccc(CNC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1 ZINC000032616651 556409148 /nfs/dbraw/zinc/40/91/48/556409148.db2.gz TZFPKFFHBZDBBS-UHFFFAOYSA-N 0 0 445.928 3.844 50 0 IHAARN Cc1cc(C)c2c(c1)oc1c(c2=O)[C@@H](c2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000032622230 556409712 /nfs/dbraw/zinc/40/97/12/556409712.db2.gz OSMDPLIJPSJAPL-HSZRJFAPSA-N 0 0 432.520 3.677 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000014252975 556409834 /nfs/dbraw/zinc/40/98/34/556409834.db2.gz GBCGGRYQLNZJGN-OAHLLOKOSA-N 0 0 436.961 3.627 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC000014252972 556409859 /nfs/dbraw/zinc/40/98/59/556409859.db2.gz GBCGGRYQLNZJGN-HNNXBMFYSA-N 0 0 436.961 3.627 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)no2)cc1 ZINC000032622780 556409918 /nfs/dbraw/zinc/40/99/18/556409918.db2.gz LHABZMVQVMBCLK-IBGZPJMESA-N 0 0 427.526 3.605 50 0 IHAARN CC[C@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000032670050 556414144 /nfs/dbraw/zinc/41/41/44/556414144.db2.gz HTBGNLAMGRIYMD-IRXDYDNUSA-N 0 0 439.516 3.524 50 0 IHAARN CCOc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1S(=O)(=O)N(CC)CC ZINC000032674764 556415371 /nfs/dbraw/zinc/41/53/71/556415371.db2.gz MILZPACDYCBJPQ-UHFFFAOYSA-N 0 0 447.557 3.524 50 0 IHAARN O=C(CN1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1)N1CCCC1 ZINC000032829615 556416441 /nfs/dbraw/zinc/41/64/41/556416441.db2.gz AEXBZQYPWVRJOG-UHFFFAOYSA-N 0 0 439.560 3.632 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nnc(NCc2ccccc2)s1 ZINC000012974351 556420328 /nfs/dbraw/zinc/42/03/28/556420328.db2.gz NANHDULHBKRLLH-QGZVFWFLSA-N 0 0 445.566 3.893 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N(C)C)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000012974685 556420566 /nfs/dbraw/zinc/42/05/66/556420566.db2.gz LDQPAGUWHOSVNM-UHFFFAOYSA-N 0 0 447.607 3.674 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000012977532 556422520 /nfs/dbraw/zinc/42/25/20/556422520.db2.gz SSRMCDCQXCCBIR-UHFFFAOYSA-N 0 0 443.594 3.887 50 0 IHAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)OC)cnc2n1C[C@@H]1CCCO1 ZINC000014541541 556425928 /nfs/dbraw/zinc/42/59/28/556425928.db2.gz FPKYYQSNHKMHRU-YOEHRIQHSA-N 0 0 446.548 3.576 50 0 IHAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000032847829 556430320 /nfs/dbraw/zinc/43/03/20/556430320.db2.gz CYOLZJRJKGZSTD-UHFFFAOYSA-N 0 0 440.546 3.593 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012995613 556430766 /nfs/dbraw/zinc/43/07/66/556430766.db2.gz KNFJBVBKVNJFMY-SFHVURJKSA-N 0 0 431.945 3.802 50 0 IHAARN CCOc1cc2c(cc1COC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)O[C@@H](C)C2 ZINC000032848679 556430805 /nfs/dbraw/zinc/43/08/05/556430805.db2.gz OTOARZGUMIHUAT-INIZCTEOSA-N 0 0 445.537 3.550 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012995839 556431124 /nfs/dbraw/zinc/43/11/24/556431124.db2.gz JWDQLPBKLDBRSO-INIZCTEOSA-N 0 0 438.336 3.860 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 ZINC000012998687 556432314 /nfs/dbraw/zinc/43/23/14/556432314.db2.gz RFNMPZZSNLWPAL-LJQANCHMSA-N 0 0 441.959 3.711 50 0 IHAARN Cc1ccc(OCCN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000013002527 556434190 /nfs/dbraw/zinc/43/41/90/556434190.db2.gz KHNQHYDPHIAPJA-UHFFFAOYSA-N 0 0 436.961 3.584 50 0 IHAARN CSCC[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000013010229 556435733 /nfs/dbraw/zinc/43/57/33/556435733.db2.gz WZUOKAMVLLRRDP-UXLLHSPISA-N 0 0 443.396 3.907 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c1 ZINC000027956312 556436015 /nfs/dbraw/zinc/43/60/15/556436015.db2.gz SWBGUNLZVHDFAP-YJBOKZPZSA-N 0 0 433.574 3.666 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@H](C)C(C)(C)O)cnc2n1CC(C)C ZINC000014744497 556440482 /nfs/dbraw/zinc/44/04/82/556440482.db2.gz KFIPFRIODQYGJX-CQSZACIVSA-N 0 0 442.516 3.896 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000013026889 556440541 /nfs/dbraw/zinc/44/05/41/556440541.db2.gz SQAJYPUQJXXKKP-QFIPXVFZSA-N 0 0 447.520 3.529 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000013028542 556441665 /nfs/dbraw/zinc/44/16/65/556441665.db2.gz VJOVOYLDJDKHRP-HXUWFJFHSA-N 0 0 429.524 3.659 50 0 IHAARN O=C1CN(Cc2cccc(F)c2F)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014747483 556441903 /nfs/dbraw/zinc/44/19/03/556441903.db2.gz VLFMDQMZPYGLAK-JOCHJYFZSA-N 0 0 437.490 3.790 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000013029694 556441881 /nfs/dbraw/zinc/44/18/81/556441881.db2.gz YPPQKGWWIUGKBO-ZDUSSCGKSA-N 0 0 442.522 3.595 50 0 IHAARN Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C(C)C ZINC000013037888 556443575 /nfs/dbraw/zinc/44/35/75/556443575.db2.gz OWUTVHHCHLNVEM-UHFFFAOYSA-N 0 0 446.569 3.513 50 0 IHAARN CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000014752155 556443694 /nfs/dbraw/zinc/44/36/94/556443694.db2.gz XVDGYIRZVRZQKE-UHFFFAOYSA-N 0 0 429.923 3.950 50 0 IHAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000028131339 556444014 /nfs/dbraw/zinc/44/40/14/556444014.db2.gz BZZOFRFEJIXKGB-MRXNPFEDSA-N 0 0 426.498 3.682 50 0 IHAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000013038262 556444116 /nfs/dbraw/zinc/44/41/16/556444116.db2.gz PEUUBPFVURCGFK-INIZCTEOSA-N 0 0 449.912 3.943 50 0 IHAARN CC(C)Cn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1N1CCOCC1 ZINC000028189601 556444921 /nfs/dbraw/zinc/44/49/21/556444921.db2.gz KCGAGOFRTJVQIU-UHFFFAOYSA-N 0 0 434.953 3.766 50 0 IHAARN O=C(COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)Nc1cccc(F)c1 ZINC000013039089 556445121 /nfs/dbraw/zinc/44/51/21/556445121.db2.gz XBWOWPQQCWXCMS-UHFFFAOYSA-N 0 0 440.402 3.778 50 0 IHAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028228511 556446361 /nfs/dbraw/zinc/44/63/61/556446361.db2.gz LQBQJARPEVBOQR-FXAWDEMLSA-N 0 0 439.936 3.852 50 0 IHAARN COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c(OC)c1 ZINC000032860126 556446580 /nfs/dbraw/zinc/44/65/80/556446580.db2.gz GEPGSWHZCPSJLR-AWEZNQCLSA-N 0 0 431.920 3.877 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000032860140 556447020 /nfs/dbraw/zinc/44/70/20/556447020.db2.gz HDKYXMMRUSNBPA-ROUUACIJSA-N 0 0 436.556 3.833 50 0 IHAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O ZINC000013041678 556447787 /nfs/dbraw/zinc/44/77/87/556447787.db2.gz JYEFKGYDESQIIY-UHFFFAOYSA-N 0 0 440.466 3.631 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)N(C)C ZINC000028288208 556447982 /nfs/dbraw/zinc/44/79/82/556447982.db2.gz FKZAJAMMVYXVNV-MRXNPFEDSA-N 0 0 445.313 3.597 50 0 IHAARN COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 ZINC000013059745 556450401 /nfs/dbraw/zinc/45/04/01/556450401.db2.gz NBXQZIQUHQYXJS-HOTGVXAUSA-N 0 0 445.537 3.784 50 0 IHAARN Cc1cccn2cc(CN3C(=O)N[C@@](C)(CCc4ccc(OC(F)F)cc4)C3=O)nc12 ZINC000013059634 556450408 /nfs/dbraw/zinc/45/04/08/556450408.db2.gz DLCHLTZLHQYKCU-QFIPXVFZSA-N 0 0 428.439 3.687 50 0 IHAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000013068314 556452287 /nfs/dbraw/zinc/45/22/87/556452287.db2.gz YNPPEQWOLATGEI-UHFFFAOYSA-N 0 0 426.494 3.671 50 0 IHAARN Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=S)n1C1CCCCC1 ZINC000013070804 556453468 /nfs/dbraw/zinc/45/34/68/556453468.db2.gz NMDXTOJBTVCSKL-UHFFFAOYSA-N 0 0 449.646 3.500 50 0 IHAARN COc1ccc(Cc2nn(CN(C)CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc1 ZINC000013072596 556454097 /nfs/dbraw/zinc/45/40/97/556454097.db2.gz NYLOYDZQANSZRT-UHFFFAOYSA-N 0 0 432.933 3.986 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc2ccccc2n1C(F)F ZINC000028452550 556455024 /nfs/dbraw/zinc/45/50/24/556455024.db2.gz FWJQHSCWZKMIKR-UHFFFAOYSA-N 0 0 438.525 3.750 50 0 IHAARN COc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)ccc1OC(F)F ZINC000013076000 556455694 /nfs/dbraw/zinc/45/56/94/556455694.db2.gz HDPDXLJXCLDNIL-UHFFFAOYSA-N 0 0 428.317 3.852 50 0 IHAARN O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000072275262 556455743 /nfs/dbraw/zinc/45/57/43/556455743.db2.gz DBWSMZJVYFGRQK-UHFFFAOYSA-N 0 0 426.517 3.848 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nc2ccccc2nc1N1CCCC1 ZINC000032958423 556456072 /nfs/dbraw/zinc/45/60/72/556456072.db2.gz OUGNDQLGSUULOP-UHFFFAOYSA-N 0 0 437.931 3.972 50 0 IHAARN COc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000013097536 556458231 /nfs/dbraw/zinc/45/82/31/556458231.db2.gz UVXIULCXRQVPPE-QCYTXABWSA-N 0 0 431.554 3.564 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)CCCN(C)S(=O)(=O)c3cccs3)c2cc1C ZINC000011032911 556460688 /nfs/dbraw/zinc/46/06/88/556460688.db2.gz SPOFCSLNLOYTIH-UHFFFAOYSA-N 0 0 449.550 3.615 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000013109504 556462904 /nfs/dbraw/zinc/46/29/04/556462904.db2.gz YKFFAIUSIUSYTQ-KRWDZBQOSA-N 0 0 435.911 3.909 50 0 IHAARN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000013109636 556463364 /nfs/dbraw/zinc/46/33/64/556463364.db2.gz XZNAPHDQENTRFB-UHFFFAOYSA-N 0 0 444.560 3.524 50 0 IHAARN CN(CCc1ccccn1)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000014975562 556468428 /nfs/dbraw/zinc/46/84/28/556468428.db2.gz VBUISPOPLYAYIK-UHFFFAOYSA-N 0 0 430.537 3.978 50 0 IHAARN CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3N3CCCCC3)[nH]c(=O)c21 ZINC000029155034 556468890 /nfs/dbraw/zinc/46/88/90/556468890.db2.gz QSRPRXNQHFOXMH-UHFFFAOYSA-N 0 0 438.528 3.624 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1nc2ccc(F)cc2s1 ZINC000013117099 556469106 /nfs/dbraw/zinc/46/91/06/556469106.db2.gz YNPCZEZCZUFNER-UHFFFAOYSA-N 0 0 430.442 3.945 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)on1 ZINC000029191898 556469669 /nfs/dbraw/zinc/46/96/69/556469669.db2.gz ZVIMCZRJDWEJRP-UHFFFAOYSA-N 0 0 425.455 3.537 50 0 IHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013119761 556471802 /nfs/dbraw/zinc/47/18/02/556471802.db2.gz RCJOKXIGCKJXPH-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN Cc1nonc1CN(C)[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000014988995 556473978 /nfs/dbraw/zinc/47/39/78/556473978.db2.gz RRYZNFXVBHTZIG-GOSISDBHSA-N 0 0 449.580 3.772 50 0 IHAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cc(Cl)c[nH]1 ZINC000029408248 556474732 /nfs/dbraw/zinc/47/47/32/556474732.db2.gz CCOYBFKIQWNBTR-UHFFFAOYSA-N 0 0 447.900 3.883 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(OC)cc1)N2 ZINC000013127242 556476154 /nfs/dbraw/zinc/47/61/54/556476154.db2.gz IVTWYJRMCCRDBE-ROUUACIJSA-N 0 0 427.892 3.671 50 0 IHAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000029475493 556476184 /nfs/dbraw/zinc/47/61/84/556476184.db2.gz AQNRBRBDCPUOQR-UHFFFAOYSA-N 0 0 429.473 3.733 50 0 IHAARN C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000029494888 556476983 /nfs/dbraw/zinc/47/69/83/556476983.db2.gz LDVUGMSUCNVPOP-LBPRGKRZSA-N 0 0 444.336 3.806 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013128071 556477126 /nfs/dbraw/zinc/47/71/26/556477126.db2.gz DVGXBUDEIZOUNN-UHFFFAOYSA-N 0 0 430.501 3.726 50 0 IHAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cnn1-c1cccc(C)c1 ZINC000029542403 556477849 /nfs/dbraw/zinc/47/78/49/556477849.db2.gz GBKCYLHTMQIQIY-UHFFFAOYSA-N 0 0 445.567 3.502 50 0 IHAARN COC(=O)c1cccc(COC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c1 ZINC000029558667 556477926 /nfs/dbraw/zinc/47/79/26/556477926.db2.gz WDIBISPSSOPBID-UHFFFAOYSA-N 0 0 430.522 3.920 50 0 IHAARN Cc1ccsc1C(=O)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000015001145 556479829 /nfs/dbraw/zinc/47/98/29/556479829.db2.gz IYBPOZCRUYDATH-QGZVFWFLSA-N 0 0 428.583 3.897 50 0 IHAARN CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)s1 ZINC000015008152 556482346 /nfs/dbraw/zinc/48/23/46/556482346.db2.gz YSVFLFPKIYKOND-UHFFFAOYSA-N 0 0 441.731 3.562 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000029777558 556482496 /nfs/dbraw/zinc/48/24/96/556482496.db2.gz CHJQOGSBJSEYHD-QHCPKHFHSA-N 0 0 443.906 3.827 50 0 IHAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)c2)n1 ZINC000015008884 556482634 /nfs/dbraw/zinc/48/26/34/556482634.db2.gz VGKMCKCYEBXOTE-VWLOTQADSA-N 0 0 434.540 3.712 50 0 IHAARN Cc1c(C(=O)NCc2nc3ccccc3n2C)sc2nc(Cc3ccccc3)nc(N)c12 ZINC000072289561 556483864 /nfs/dbraw/zinc/48/38/64/556483864.db2.gz OBXSZBLRMGOZKH-UHFFFAOYSA-N 0 0 442.548 3.989 50 0 IHAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCCN3CCOCC3)n2)CCCC4)n1 ZINC000013140535 556485654 /nfs/dbraw/zinc/48/56/54/556485654.db2.gz XMSTVSOSVZXCOC-UHFFFAOYSA-N 0 0 429.615 3.797 50 0 IHAARN COc1ccc(-c2nc(Cn3c4ccccc4nc3S(C)(=O)=O)cs2)cc1OC ZINC000029898563 556485787 /nfs/dbraw/zinc/48/57/87/556485787.db2.gz IIJCFVAXBXOJKF-UHFFFAOYSA-N 0 0 429.523 3.629 50 0 IHAARN Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccn3)CC2)cc1 ZINC000015017772 556486989 /nfs/dbraw/zinc/48/69/89/556486989.db2.gz QQVZPBOOJKLMCV-AHKZPQOWSA-N 0 0 440.547 3.978 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cs2)cc1OC ZINC000029950445 556487001 /nfs/dbraw/zinc/48/70/01/556487001.db2.gz JLXTYTGAEBUPSF-UHFFFAOYSA-N 0 0 443.916 3.662 50 0 IHAARN C[C@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019126 556487605 /nfs/dbraw/zinc/48/76/05/556487605.db2.gz CLRPZTSERMTHGS-CYBMUJFWSA-N 0 0 442.928 3.930 50 0 IHAARN Cc1sc2nc([C@@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C ZINC000013146475 556488393 /nfs/dbraw/zinc/48/83/93/556488393.db2.gz MFLDCOSQJBXJDF-YGRLFVJLSA-N 0 0 429.523 3.709 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1N1CCOCC1 ZINC000030013086 556489212 /nfs/dbraw/zinc/48/92/12/556489212.db2.gz RCUAJLBNYBFHIH-JOCHJYFZSA-N 0 0 426.520 3.961 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)C1 ZINC000013148612 556490030 /nfs/dbraw/zinc/49/00/30/556490030.db2.gz OMLKZIRMEGBRCL-IYBDPMFKSA-N 0 0 433.501 3.532 50 0 IHAARN Cc1cc(C)c(-c2cc(NC(=O)CN3CCC[C@H](C(N)=O)C3)n(-c3ccccc3)n2)cc1C ZINC000013148726 556490375 /nfs/dbraw/zinc/49/03/75/556490375.db2.gz GDOKEAXRYWEWCR-FQEVSTJZSA-N 0 0 445.567 3.600 50 0 IHAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCCOc1ccc(Br)cc1 ZINC000013149467 556490924 /nfs/dbraw/zinc/49/09/24/556490924.db2.gz LHECQPQPBKGZQM-UHFFFAOYSA-N 0 0 436.346 3.704 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000013149824 556491618 /nfs/dbraw/zinc/49/16/18/556491618.db2.gz WWKKOAKRYQQEBT-UHFFFAOYSA-N 0 0 442.475 3.755 50 0 in-vitro IHAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000013163328 556493325 /nfs/dbraw/zinc/49/33/25/556493325.db2.gz QWOBYFIOFGMOAH-LBPRGKRZSA-N 0 0 432.527 3.809 50 0 IHAARN COc1ccc(C)cc1-n1c(S[C@@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O ZINC000011066556 556493681 /nfs/dbraw/zinc/49/36/81/556493681.db2.gz JRHIAYBFXCMMBN-ZDUSSCGKSA-N 0 0 431.945 3.925 50 0 IHAARN O=C(CCc1nc2ccccc2s1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013163829 556494785 /nfs/dbraw/zinc/49/47/85/556494785.db2.gz YWBYNWQXVZIPIM-UHFFFAOYSA-N 0 0 437.521 3.835 50 0 IHAARN O=C(NCc1ccccc1)NC1(C(=O)Nc2cccc(CN3CCCC3=O)c2)CCCC1 ZINC000030480692 556495201 /nfs/dbraw/zinc/49/52/01/556495201.db2.gz CYDBHMIOWFNEGO-UHFFFAOYSA-N 0 0 434.540 3.560 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OCc2cscn2)cc1 ZINC000013164092 556495784 /nfs/dbraw/zinc/49/57/84/556495784.db2.gz CRMFEEIKPHTZTJ-UHFFFAOYSA-N 0 0 443.550 3.759 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 ZINC000013164330 556496083 /nfs/dbraw/zinc/49/60/83/556496083.db2.gz QXZFWCRMQQTOCS-LBPRGKRZSA-N 0 0 446.529 3.988 50 0 IHAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)CSc2ccncc2)CC1 ZINC000015071969 556496733 /nfs/dbraw/zinc/49/67/33/556496733.db2.gz NIXBXALJTHWYBP-UHFFFAOYSA-N 0 0 428.554 3.815 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)[C@@H](c3ccco3)C2)cc1 ZINC000013165258 556498332 /nfs/dbraw/zinc/49/83/32/556498332.db2.gz FTYNESRMMNMLHG-HXUWFJFHSA-N 0 0 446.438 3.922 50 0 IHAARN O=C(c1ccccc1F)N1CCN(Cn2nc3c(Cl)cc(Cl)cn3c2=S)CC1 ZINC000030587182 556498682 /nfs/dbraw/zinc/49/86/82/556498682.db2.gz HVTSSGPSVNMBNR-UHFFFAOYSA-N 0 0 440.331 3.727 50 0 IHAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000030592591 556499025 /nfs/dbraw/zinc/49/90/25/556499025.db2.gz HBTFRPLUXLZSAR-LBPRGKRZSA-N 0 0 447.388 3.741 50 0 IHAARN Cn1c2nc(SCCCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000013230620 556500389 /nfs/dbraw/zinc/50/03/89/556500389.db2.gz MSHSRQQUHFBUQV-UHFFFAOYSA-N 0 0 440.956 3.850 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNc1ccc(C(C)=O)cc1 ZINC000015085057 556502324 /nfs/dbraw/zinc/50/23/24/556502324.db2.gz DZRTZHBDCPHPLD-UHFFFAOYSA-N 0 0 441.528 3.574 50 0 IHAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC)cc1OC ZINC000030713700 556502332 /nfs/dbraw/zinc/50/23/32/556502332.db2.gz YWZDZOHVLOTWLN-YVLHZVERSA-N 0 0 446.912 3.505 50 0 IHAARN Cc1nc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C ZINC000032878903 556502599 /nfs/dbraw/zinc/50/25/99/556502599.db2.gz NNSQEULOXHLVPF-GFCCVEGCSA-N 0 0 434.566 3.833 50 0 IHAARN c1coc(CNc2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)s2)c1 ZINC000030795732 556506080 /nfs/dbraw/zinc/50/60/80/556506080.db2.gz BPBRINALYKBVNP-LBPRGKRZSA-N 0 0 429.556 3.836 50 0 IHAARN CC(C)[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC000015182961 556508720 /nfs/dbraw/zinc/50/87/20/556508720.db2.gz OAFUEYLVZNXHSK-KRWDZBQOSA-N 0 0 445.404 3.693 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc3c4ccccc4[nH]c3n2)nc1C ZINC000013494681 556508862 /nfs/dbraw/zinc/50/88/62/556508862.db2.gz BSCAGMZZPXMMQE-SNVBAGLBSA-N 0 0 442.526 3.567 50 0 IHAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032882695 556509384 /nfs/dbraw/zinc/50/93/84/556509384.db2.gz KRZPNXLHWNNNSW-UHFFFAOYSA-N 0 0 442.519 3.823 50 0 IHAARN COc1ccc(-c2nn(CN3CCC4(CC3)OCCO4)c(=S)n2-c2ccccc2)cc1 ZINC000015188746 556509719 /nfs/dbraw/zinc/50/97/19/556509719.db2.gz XIEMRCOKZJQMDB-UHFFFAOYSA-N 0 0 438.553 3.875 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013510983 556510309 /nfs/dbraw/zinc/51/03/09/556510309.db2.gz CXDZGSPIWCBYEJ-QGZVFWFLSA-N 0 0 428.337 3.588 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccc(F)cc1 ZINC000013514363 556511364 /nfs/dbraw/zinc/51/13/64/556511364.db2.gz OXBRXNAUVDHRIQ-ODAXIHTASA-N 0 0 439.446 3.576 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3nnc4ccccn43)c12 ZINC000032888492 556511415 /nfs/dbraw/zinc/51/14/15/556511415.db2.gz UVVQOFOYTPWIND-FQEVSTJZSA-N 0 0 437.507 3.964 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000032895183 556514614 /nfs/dbraw/zinc/51/46/14/556514614.db2.gz MALZJHPKIYWVJI-GOSISDBHSA-N 0 0 428.554 3.981 50 0 IHAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000032895880 556515865 /nfs/dbraw/zinc/51/58/65/556515865.db2.gz UEQPGAQAUKUYKM-UHFFFAOYSA-N 0 0 433.555 3.904 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 ZINC000032892745 556520331 /nfs/dbraw/zinc/52/03/31/556520331.db2.gz MTYLINLYYUAXFO-UHFFFAOYSA-N 0 0 442.497 3.791 50 0 IHAARN COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(Cl)c1OCC(N)=O ZINC000011076043 556520885 /nfs/dbraw/zinc/52/08/85/556520885.db2.gz YNNPBPXZUWAUQE-UHFFFAOYSA-N 0 0 439.899 3.624 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)c2c1 ZINC000013572002 556522618 /nfs/dbraw/zinc/52/26/18/556522618.db2.gz MLYIMNIDAIJADH-BKUYFWCQSA-N 0 0 449.532 3.962 50 0 IHAARN CCCc1noc(CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)n1 ZINC000072297631 556522964 /nfs/dbraw/zinc/52/29/64/556522964.db2.gz WIXOGXSTCMHEJR-NRFANRHFSA-N 0 0 434.540 3.735 50 0 IHAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@H](C)n3nc(C)cc3C)c(F)c2)n1 ZINC000072300839 556523604 /nfs/dbraw/zinc/52/36/04/556523604.db2.gz JQRYQZDEEMTBRP-ROUUACIJSA-N 0 0 440.523 3.876 50 0 IHAARN Cc1cccc(N=C2NN=C(c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CS2)c1C ZINC000015404206 556524586 /nfs/dbraw/zinc/52/45/86/556524586.db2.gz SXQQEKNZWIBKFJ-AWEZNQCLSA-N 0 0 428.583 3.933 50 0 IHAARN COc1ccccc1[C@@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000013574688 556524646 /nfs/dbraw/zinc/52/46/46/556524646.db2.gz RZSXSEIXFVIEHE-QHCPKHFHSA-N 0 0 445.519 3.569 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)c2c1 ZINC000013576124 556525832 /nfs/dbraw/zinc/52/58/32/556525832.db2.gz ALIDMXKPBWHMEW-JAIQZWGSSA-N 0 0 435.505 3.572 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000015425796 556527205 /nfs/dbraw/zinc/52/72/05/556527205.db2.gz QDIVBXGNRCLBEH-UHFFFAOYSA-N 0 0 439.320 3.873 50 0 IHAARN CN(C)S(=O)(=O)c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000015439844 556528238 /nfs/dbraw/zinc/52/82/38/556528238.db2.gz LCCYBGOWBKXAPO-UHFFFAOYSA-N 0 0 434.867 3.582 50 0 IHAARN COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000013592553 556530678 /nfs/dbraw/zinc/53/06/78/556530678.db2.gz KQDWRQLIGNCFEK-BWKNWUBXSA-N 0 0 446.434 3.924 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)COc2cccc3ccccc32)c2nccn2C)c1 ZINC000015520124 556532846 /nfs/dbraw/zinc/53/28/46/556532846.db2.gz WNYAYVUPNKQWFC-XMMPIXPASA-N 0 0 431.492 3.875 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000015536277 556533528 /nfs/dbraw/zinc/53/35/28/556533528.db2.gz XBEOCROQNFXJRE-MRXNPFEDSA-N 0 0 430.533 3.972 50 0 IHAARN O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000015584535 556536184 /nfs/dbraw/zinc/53/61/84/556536184.db2.gz NTGUZCFXADHETD-UHFFFAOYSA-N 0 0 430.327 3.865 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)c(F)c1 ZINC000032579602 556541479 /nfs/dbraw/zinc/54/14/79/556541479.db2.gz LYWGBEYTWGWXSB-UHFFFAOYSA-N 0 0 441.532 3.791 50 0 IHAARN Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000015704852 556544586 /nfs/dbraw/zinc/54/45/86/556544586.db2.gz IDIQABPGBYEYIF-UHFFFAOYSA-N 0 0 438.347 3.579 50 0 IHAARN Cn1ccnc1C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000072303154 556547017 /nfs/dbraw/zinc/54/70/17/556547017.db2.gz XZZXSSVMRQYENX-QGZVFWFLSA-N 0 0 431.277 3.739 50 0 IHAARN O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000032905471 556548756 /nfs/dbraw/zinc/54/87/56/556548756.db2.gz DXUQNXUKOFMCFO-UHFFFAOYSA-N 0 0 439.943 3.935 50 0 IHAARN C/C=C/c1ccc(OC[C@@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 ZINC000072305042 556549879 /nfs/dbraw/zinc/54/98/79/556549879.db2.gz WMQMCRPTMLJPRC-OQBYNLHGSA-N 0 0 449.494 3.812 50 0 IHAARN Cc1c(Cl)c(CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)nc2ccccc12 ZINC000032905069 556550204 /nfs/dbraw/zinc/55/02/04/556550204.db2.gz FVKZSLNRQYTYDY-AWEZNQCLSA-N 0 0 445.976 3.677 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)Nc1ccc(F)cc1 ZINC000015779769 556551194 /nfs/dbraw/zinc/55/11/94/556551194.db2.gz KVRFIDMVCLQBEP-UHFFFAOYSA-N 0 0 425.851 3.634 50 0 IHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cn2ncsc2=S)CC1 ZINC000032906178 556551862 /nfs/dbraw/zinc/55/18/62/556551862.db2.gz JAZISJOSZKNMSS-UHFFFAOYSA-N 0 0 438.644 3.686 50 0 IHAARN Cc1cc(-c2csc(C)n2)c(C)n1CCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032906387 556552227 /nfs/dbraw/zinc/55/22/27/556552227.db2.gz HQVPCWADBYCUKZ-UHFFFAOYSA-N 0 0 435.553 3.822 50 0 IHAARN O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033089059 556554086 /nfs/dbraw/zinc/55/40/86/556554086.db2.gz UEDUNMVTURALCL-UHFFFAOYSA-N 0 0 427.426 3.539 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000015859895 556558581 /nfs/dbraw/zinc/55/85/81/556558581.db2.gz WNMWXEVWBYXTEA-HNNXBMFYSA-N 0 0 431.286 3.715 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000015859898 556558588 /nfs/dbraw/zinc/55/85/88/556558588.db2.gz GMRGJDFXBWECFD-OAHLLOKOSA-N 0 0 431.286 3.715 50 0 IHAARN COCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274632 556558671 /nfs/dbraw/zinc/55/86/71/556558671.db2.gz JNURHKVDEZMYGO-UHFFFAOYSA-N 0 0 430.570 3.579 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c1 ZINC000015869489 556560009 /nfs/dbraw/zinc/56/00/09/556560009.db2.gz PTCMKLKHIPFTKT-UHFFFAOYSA-N 0 0 436.533 3.844 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)OCCC(C)C ZINC000072306762 556560380 /nfs/dbraw/zinc/56/03/80/556560380.db2.gz GIGIIIAJRNJHJJ-UGSOOPFHSA-N 0 0 439.350 3.582 50 0 IHAARN COc1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1OC ZINC000072306930 556560866 /nfs/dbraw/zinc/56/08/66/556560866.db2.gz NGUFQSITFKIYOD-LJQANCHMSA-N 0 0 433.346 3.920 50 0 IHAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccnc2S(C)(=O)=O)cc1 ZINC000072307048 556561239 /nfs/dbraw/zinc/56/12/39/556561239.db2.gz FIVAEVWEEGNDDM-UHFFFAOYSA-N 0 0 449.916 3.770 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000033412225 556564072 /nfs/dbraw/zinc/56/40/72/556564072.db2.gz WBHMDQHEXBGRDR-SFHVURJKSA-N 0 0 439.599 3.940 50 0 IHAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCNC(=O)c1ccccc1 ZINC000032908214 556564597 /nfs/dbraw/zinc/56/45/97/556564597.db2.gz LFQSRZHOFZSTLY-JOCHJYFZSA-N 0 0 449.938 3.747 50 0 IHAARN C[C@H](NC(=O)CNC(=O)CN(CCc1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1 ZINC000072308366 556566233 /nfs/dbraw/zinc/56/62/33/556566233.db2.gz CTRZONQIQTUTDI-IBGZPJMESA-N 0 0 449.526 3.574 50 0 IHAARN CCc1nnc(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000015963205 556569723 /nfs/dbraw/zinc/56/97/23/556569723.db2.gz RLIDOWGENVGSQP-UHFFFAOYSA-N 0 0 430.555 3.633 50 0 IHAARN Cc1cccc(OCCSCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1 ZINC000032909398 556573318 /nfs/dbraw/zinc/57/33/18/556573318.db2.gz XKPYZXXUFUZJRM-UHFFFAOYSA-N 0 0 436.599 3.613 50 0 IHAARN COc1cc(C(=O)NCCOc2cc(C)cc(C)c2)c(Br)c(OC)c1OC ZINC000001748274 556574692 /nfs/dbraw/zinc/57/46/92/556574692.db2.gz KIKHOMUPJRRQNU-UHFFFAOYSA-N 0 0 438.318 3.901 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016044402 556578607 /nfs/dbraw/zinc/57/86/07/556578607.db2.gz KAXRYRBGNFTPEI-UHFFFAOYSA-N 0 0 443.447 3.679 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccccc3)ccc2Cl)C1 ZINC000016051175 556581443 /nfs/dbraw/zinc/58/14/43/556581443.db2.gz XGTMXOJUFADSMM-OAHLLOKOSA-N 0 0 435.929 3.800 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1I ZINC000016097603 556582796 /nfs/dbraw/zinc/58/27/96/556582796.db2.gz TWDMKCFFEDJLJD-UHFFFAOYSA-N 0 0 445.278 3.562 50 0 IHAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)C(C)(C)C)no2)cc(OC)c1OC ZINC000034922295 556586798 /nfs/dbraw/zinc/58/67/98/556586798.db2.gz ZDMVMQZISGAVLA-QGZVFWFLSA-N 0 0 432.517 3.921 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000032967251 556588035 /nfs/dbraw/zinc/58/80/35/556588035.db2.gz UEBQQCGGZCHHBI-WMZOPIPTSA-N 0 0 426.344 3.760 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 ZINC000032970934 556589009 /nfs/dbraw/zinc/58/90/09/556589009.db2.gz YKFUYJBGOJUHLW-JPYJTQIMSA-N 0 0 440.503 3.910 50 0 IHAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc(F)c4)cc2)N3)C1 ZINC000004587011 556598867 /nfs/dbraw/zinc/59/88/67/556598867.db2.gz HECLEHFXPNFZFH-HXUWFJFHSA-N 0 0 437.496 3.948 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000032975630 556600178 /nfs/dbraw/zinc/60/01/78/556600178.db2.gz OYUNKJKKGMRYGY-RTBURBONSA-N 0 0 430.501 3.610 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000037400429 556602868 /nfs/dbraw/zinc/60/28/68/556602868.db2.gz NHTOADSXPDNSBI-UHFFFAOYSA-N 0 0 444.509 3.788 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 ZINC000016361897 556602934 /nfs/dbraw/zinc/60/29/34/556602934.db2.gz XONAIBOTHJCMGZ-UHFFFAOYSA-N 0 0 436.961 3.802 50 0 IHAARN C[C@@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016366664 556603620 /nfs/dbraw/zinc/60/36/20/556603620.db2.gz HJKPDOICNWCJHX-ZHHULCEESA-N 0 0 430.526 3.672 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000016369122 556603652 /nfs/dbraw/zinc/60/36/52/556603652.db2.gz WLHRLQUJPPDQKK-UHFFFAOYSA-N 0 0 440.554 3.569 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[C@H](C)Cc2ccco2)s1 ZINC000032987328 556607233 /nfs/dbraw/zinc/60/72/33/556607233.db2.gz ZKHITBHAVBZRPL-CQSZACIVSA-N 0 0 430.555 3.672 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016447475 556607746 /nfs/dbraw/zinc/60/77/46/556607746.db2.gz YNMPAGLFIKMPQW-XMMPIXPASA-N 0 0 439.559 3.973 50 0 IHAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OCC)cc2Br)NC(=O)N1 ZINC000016448765 556609004 /nfs/dbraw/zinc/60/90/04/556609004.db2.gz JWCQQSQMRKOZNI-QGZVFWFLSA-N 0 0 441.322 3.828 50 0 IHAARN CCCCOc1cc(Br)c([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC ZINC000016474779 556610262 /nfs/dbraw/zinc/61/02/62/556610262.db2.gz FMNLHPZEJHPWGE-MRXNPFEDSA-N 0 0 443.363 3.602 50 0 IHAARN COc1ccc([C@H](NC(=O)Cn2c(CSC)nc3ccccc32)c2nccn2C)cc1 ZINC000016476677 556610677 /nfs/dbraw/zinc/61/06/77/556610677.db2.gz NSFYDNYKXUYFLX-QFIPXVFZSA-N 0 0 435.553 3.547 50 0 IHAARN Cc1ccc2snc(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2c1 ZINC000032996705 556612397 /nfs/dbraw/zinc/61/23/97/556612397.db2.gz BRSBIJUBWGQIDW-UHFFFAOYSA-N 0 0 443.594 3.677 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000013496442 556612631 /nfs/dbraw/zinc/61/26/31/556612631.db2.gz HSCXWVCBXQDGDC-ZLNRFVROSA-N 0 0 443.478 3.702 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cs1 ZINC000016505797 556613029 /nfs/dbraw/zinc/61/30/29/556613029.db2.gz ADWLYIIGDFNNTB-UHFFFAOYSA-N 0 0 444.534 3.692 50 0 IHAARN CCCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)/C=C/c1ccccc1 ZINC000016613278 556618251 /nfs/dbraw/zinc/61/82/51/556618251.db2.gz QSQWBNUUWSCOBH-NTEUORMPSA-N 0 0 439.943 3.815 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)cc1 ZINC000247905832 556620072 /nfs/dbraw/zinc/62/00/72/556620072.db2.gz HSQWAVCKTRMKLK-PMOQBDJRSA-N 0 0 436.552 3.836 50 0 IHAARN CSCC[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000016646099 556620061 /nfs/dbraw/zinc/62/00/61/556620061.db2.gz FPBOXHFNXNWQMM-WMZOPIPTSA-N 0 0 426.567 3.976 50 0 IHAARN COc1ccccc1N1CN(C[C@H]2CCCO2)Cn2c(=O)c(Cc3ccccc3)c(C)nc21 ZINC000038830129 556621241 /nfs/dbraw/zinc/62/12/41/556621241.db2.gz HUTPZHYPEXZLSV-OAQYLSRUSA-N 0 0 446.551 3.699 50 0 IHAARN COc1cccc(-n2ccnc2SCc2nc(N)nc(Nc3ccccc3OC)n2)c1 ZINC000016660987 556621305 /nfs/dbraw/zinc/62/13/05/556621305.db2.gz BHZZLIPOFXDMLJ-UHFFFAOYSA-N 0 0 435.513 3.693 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c(OC)c1 ZINC000032999107 556627339 /nfs/dbraw/zinc/62/73/39/556627339.db2.gz WUHPZIVTCZDYBL-UHFFFAOYSA-N 0 0 449.511 3.985 50 0 IHAARN COc1cc(CN2CCN(Cc3ccc(OC(C)C)cc3)C[C@H]2CCO)cc(OC)c1 ZINC000039362996 556628039 /nfs/dbraw/zinc/62/80/39/556628039.db2.gz FYWAUZBYVZFDBN-JOCHJYFZSA-N 0 0 428.573 3.560 50 0 IHAARN Cc1ccc(N2C(=O)N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)[C@H]2C)cc1 ZINC000016694964 556628564 /nfs/dbraw/zinc/62/85/64/556628564.db2.gz JGNGXNWWMIDYCM-QGZVFWFLSA-N 0 0 446.473 3.951 50 0 IHAARN COc1ccc2[nH]c(CN3CCN(Cc4ccc(F)c(F)c4)[C@H](CCO)C3)c(C)c2c1 ZINC000039447691 556628685 /nfs/dbraw/zinc/62/86/85/556628685.db2.gz HQDDULPFRDGCDJ-GOSISDBHSA-N 0 0 429.511 3.832 50 0 IHAARN O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000016732842 556632205 /nfs/dbraw/zinc/63/22/05/556632205.db2.gz ATTCHYLYEJALJR-PDGQHHTCSA-N 0 0 433.876 3.639 50 0 IHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000033771203 556632296 /nfs/dbraw/zinc/63/22/96/556632296.db2.gz BRDOKRFIOOWEFV-XMMPIXPASA-N 0 0 432.495 3.860 50 0 IHAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(-c3ccncc3)nn12 ZINC000016734343 556632886 /nfs/dbraw/zinc/63/28/86/556632886.db2.gz RILSBMJSGIXSTK-QNGOZBTKSA-N 0 0 448.511 3.613 50 0 IHAARN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040387931 556636327 /nfs/dbraw/zinc/63/63/27/556636327.db2.gz UERDYRQWTPCVPX-UHFFFAOYSA-N 0 0 439.475 3.666 50 0 IHAARN Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1O ZINC000011711889 556643277 /nfs/dbraw/zinc/64/32/77/556643277.db2.gz SUVGGVBSBBZVQJ-KRWDZBQOSA-N 0 0 432.476 3.987 50 0 IHAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)N(C)c4ccccc4)c3n2)cc1 ZINC000040484902 556644066 /nfs/dbraw/zinc/64/40/66/556644066.db2.gz NYHQFAROVTZTGD-UHFFFAOYSA-N 0 0 438.487 3.988 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 ZINC000016840880 556645824 /nfs/dbraw/zinc/64/58/24/556645824.db2.gz SZRCLUCEDCGQIT-UHFFFAOYSA-N 0 0 432.505 3.862 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)C1 ZINC000037600621 556646205 /nfs/dbraw/zinc/64/62/05/556646205.db2.gz YEDHIWDLNDXSAT-QHCPKHFHSA-N 0 0 448.563 3.974 50 0 IHAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011726382 556646956 /nfs/dbraw/zinc/64/69/56/556646956.db2.gz WTPGZCWQGGPNKN-XTQSDGFTSA-N 0 0 447.557 3.778 50 0 IHAARN O=C([C@H]1COc2ccccc2C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016962591 556651165 /nfs/dbraw/zinc/65/11/65/556651165.db2.gz BAQLCAZONLRNTH-CQSZACIVSA-N 0 0 425.838 3.654 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1c(C)nsc1NC ZINC000016974694 556651809 /nfs/dbraw/zinc/65/18/09/556651809.db2.gz TWMKUOXWXWRXJO-UHFFFAOYSA-N 0 0 449.510 3.787 50 0 IHAARN Cc1ccc(C)c(CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000011758211 556652528 /nfs/dbraw/zinc/65/25/28/556652528.db2.gz HVHRMVQHAOJFDW-UHFFFAOYSA-N 0 0 436.512 3.742 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccccc3F)c(=O)c12 ZINC000032999262 556653008 /nfs/dbraw/zinc/65/30/08/556653008.db2.gz UTKIUQRSBCXNLR-UHFFFAOYSA-N 0 0 436.462 3.789 50 0 IHAARN CCOCCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032925857 556655204 /nfs/dbraw/zinc/65/52/04/556655204.db2.gz KTNLKJOFZGFYJC-UHFFFAOYSA-N 0 0 425.451 3.554 50 0 IHAARN COc1ccccc1Nc1nc2sc(C(=O)NCCNC(=O)c3ccco3)cc2s1 ZINC000032928419 556656901 /nfs/dbraw/zinc/65/69/01/556656901.db2.gz VOIMRSRSFUSJFW-UHFFFAOYSA-N 0 0 442.522 3.863 50 0 IHAARN O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000011825419 556658906 /nfs/dbraw/zinc/65/89/06/556658906.db2.gz DJSADAQRRLTGBE-UHFFFAOYSA-N 0 0 449.964 3.759 50 0 IHAARN COc1cccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000011826104 556658915 /nfs/dbraw/zinc/65/89/15/556658915.db2.gz MNMQZOIITDWKQX-QFIPXVFZSA-N 0 0 446.544 3.599 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000033011525 556659325 /nfs/dbraw/zinc/65/93/25/556659325.db2.gz PZINOZAUWWBUDJ-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN COc1cc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc(OC)c1OC ZINC000011835039 556659339 /nfs/dbraw/zinc/65/93/39/556659339.db2.gz NWCVGCRUTYLBPT-UHFFFAOYSA-N 0 0 441.509 3.993 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000033011748 556659876 /nfs/dbraw/zinc/65/98/76/556659876.db2.gz HANLWYWDPHIIGP-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN O=C(NCc1cccc(F)c1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018593 556665492 /nfs/dbraw/zinc/66/54/92/556665492.db2.gz ACRHYCJRYMSVNL-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc(N)c2c1C ZINC000046581221 556668150 /nfs/dbraw/zinc/66/81/50/556668150.db2.gz REEJXVZQIOTXNH-CQSZACIVSA-N 0 0 443.598 3.846 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100771323 556668730 /nfs/dbraw/zinc/66/87/30/556668730.db2.gz QHWCEOJNUJKGCS-LMMKCTJWSA-N 0 0 432.307 3.538 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc(O)cc2)sc2c1CCCC2 ZINC000017125289 556668885 /nfs/dbraw/zinc/66/88/85/556668885.db2.gz ALFMGPVKHURIMO-CYBMUJFWSA-N 0 0 431.510 3.622 50 0 IHAARN O=c1c2ncccc2n(Cc2ccc(Br)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000017170310 556671384 /nfs/dbraw/zinc/67/13/84/556671384.db2.gz PDBJHDVLZQJZAN-UHFFFAOYSA-N 0 0 440.272 3.556 50 0 IHAARN CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O ZINC000011914911 556674144 /nfs/dbraw/zinc/67/41/44/556674144.db2.gz MXCNQTZATOTCCI-QHCPKHFHSA-N 0 0 437.496 3.777 50 0 IHAARN O=C(CCn1ccnc1)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000032935154 556677975 /nfs/dbraw/zinc/67/79/75/556677975.db2.gz AJTRPORLNXYLJW-UHFFFAOYSA-N 0 0 433.390 3.500 50 0 IHAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325846 556680503 /nfs/dbraw/zinc/68/05/03/556680503.db2.gz KWELQNRPVSJHKJ-LJQANCHMSA-N 0 0 439.537 3.787 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000010625956 556681918 /nfs/dbraw/zinc/68/19/18/556681918.db2.gz MIOMSIZTPINXEN-UHFFFAOYSA-N 0 0 431.901 3.946 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018085204 556683375 /nfs/dbraw/zinc/68/33/75/556683375.db2.gz ARZHICNHPZMVIN-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000245241032 556683872 /nfs/dbraw/zinc/68/38/72/556683872.db2.gz WMFXLMDQUNVGID-LEHBWIKQSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1 ZINC000226762655 556685431 /nfs/dbraw/zinc/68/54/31/556685431.db2.gz LBJPKDMUEIGHAZ-DEOSSOPVSA-N 0 0 437.565 3.664 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000072313116 556688198 /nfs/dbraw/zinc/68/81/98/556688198.db2.gz RZGZYJCRMKJDKB-IBGZPJMESA-N 0 0 440.525 3.588 50 0 IHAARN C[C@H](CC(=O)Nc1cccc(Cl)c1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005490 556689562 /nfs/dbraw/zinc/68/95/62/556689562.db2.gz NKAIFZORGGWNRG-AWEZNQCLSA-N 0 0 439.878 3.880 50 0 IHAARN COc1cc2ncn(CCCC(=O)Nc3c(C)cccc3OC(F)F)c(=O)c2cc1OC ZINC000060340862 556709312 /nfs/dbraw/zinc/70/93/12/556709312.db2.gz XIRCFTQXQBRGGI-UHFFFAOYSA-N 0 0 447.438 3.742 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138557170 556718827 /nfs/dbraw/zinc/71/88/27/556718827.db2.gz YOZPXADXKLIWKS-RCCFBDPRSA-N 0 0 435.833 3.894 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000072325226 556722912 /nfs/dbraw/zinc/72/29/12/556722912.db2.gz FWCYJKJWDHWXGS-SFHVURJKSA-N 0 0 425.506 3.793 50 0 biogenic IHAARN COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 ZINC000072325759 556723995 /nfs/dbraw/zinc/72/39/95/556723995.db2.gz QZFLLTQIZGZKIC-FQEVSTJZSA-N 0 0 426.538 3.631 50 0 biogenic IHAARN COc1cccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)c1 ZINC000061719949 556726812 /nfs/dbraw/zinc/72/68/12/556726812.db2.gz QVVKBIMVRCFVGC-UHFFFAOYSA-N 0 0 428.496 3.655 50 0 IHAARN CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Br)c2)cc1OCC ZINC000072330935 556727934 /nfs/dbraw/zinc/72/79/34/556727934.db2.gz ACITUFUCGMFNLY-UHFFFAOYSA-N 0 0 436.302 3.971 50 0 IHAARN COc1cc(C2=N/C(=C/c3ccccc3OC(=O)c3ccco3)C(=O)O2)cc(OC)c1OC ZINC000000881391 556733091 /nfs/dbraw/zinc/73/30/91/556733091.db2.gz ZZLGQHNDAXKDJP-LFIBNONCSA-N 0 0 449.415 3.869 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000019297519 556734782 /nfs/dbraw/zinc/73/47/82/556734782.db2.gz HEHHJFUABSZDBD-UHFFFAOYSA-N 0 0 442.899 3.961 50 0 IHAARN COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000078822338 556736634 /nfs/dbraw/zinc/73/66/34/556736634.db2.gz UJLIRIJNXPWUOV-HYBUGGRVSA-N 0 0 426.557 3.696 50 0 IHAARN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)n(-c2ccccc2)n1 ZINC000078994044 556737020 /nfs/dbraw/zinc/73/70/20/556737020.db2.gz CIYCTADUNGQRFV-GOSISDBHSA-N 0 0 443.507 3.952 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCOc2cccc(F)c21 ZINC000079104306 556737204 /nfs/dbraw/zinc/73/72/04/556737204.db2.gz YIACPSFCEIMHEU-UHFFFAOYSA-N 0 0 438.908 3.693 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000033047762 556743120 /nfs/dbraw/zinc/74/31/20/556743120.db2.gz KDVGBVKVYGLMFO-UHFFFAOYSA-N 0 0 434.867 3.878 50 0 IHAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013854537 556746245 /nfs/dbraw/zinc/74/62/45/556746245.db2.gz ISMOWOKQYITTKU-UHFFFAOYSA-N 0 0 443.547 3.959 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000072333038 556749449 /nfs/dbraw/zinc/74/94/49/556749449.db2.gz KOHORSRFEGNGIB-QGZVFWFLSA-N 0 0 426.860 3.743 50 0 IHAARN COC(=O)c1cn(CC(=O)NCCc2ccc(F)c(Br)c2)c2ccccc12 ZINC000058003808 556752282 /nfs/dbraw/zinc/75/22/82/556752282.db2.gz HLRJYYBTEBQUNB-UHFFFAOYSA-N 0 0 433.277 3.688 50 0 IHAARN COCCn1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)ccc1=O ZINC000058061810 556756102 /nfs/dbraw/zinc/75/61/02/556756102.db2.gz FSHLRFGTJZEPSA-JOCHJYFZSA-N 0 0 445.519 3.547 50 0 IHAARN O=C(NCc1cccnc1-n1cncn1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000058086254 556757391 /nfs/dbraw/zinc/75/73/91/556757391.db2.gz LCKPSJRSCJNTBW-UHFFFAOYSA-N 0 0 445.449 3.993 50 0 IHAARN O=C(c1ccc(F)cc1)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)C[C@H]2CCCC[C@@H]21 ZINC000058150243 556761989 /nfs/dbraw/zinc/76/19/89/556761989.db2.gz PEDMDBCQTVWJKR-QDSKXPNFSA-N 0 0 435.543 3.948 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCc2nc(-c3cccs3)no2)n1 ZINC000061997052 556763423 /nfs/dbraw/zinc/76/34/23/556763423.db2.gz QOOWDUVOEBZCCL-UHFFFAOYSA-N 0 0 440.348 3.783 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000058160757 556764647 /nfs/dbraw/zinc/76/46/47/556764647.db2.gz QHMKXIMZJZEZJB-HOTGVXAUSA-N 0 0 432.362 3.860 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1 ZINC000062006950 556765105 /nfs/dbraw/zinc/76/51/05/556765105.db2.gz VFMVGZXPPMOJNY-UHFFFAOYSA-N 0 0 440.931 3.996 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2snc(-c3ccc(OC)cc3)c2N)CC1 ZINC000062007114 556765117 /nfs/dbraw/zinc/76/51/17/556765117.db2.gz WEZRMBOBYKYPLZ-UHFFFAOYSA-N 0 0 438.553 3.762 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 ZINC000062007398 556765668 /nfs/dbraw/zinc/76/56/68/556765668.db2.gz ODKOFDBSNTZVQF-UHFFFAOYSA-N 0 0 438.915 3.740 50 0 biogenic IHAARN CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 ZINC000062022818 556765986 /nfs/dbraw/zinc/76/59/86/556765986.db2.gz IJFCYMDLRNCXKC-OAHLLOKOSA-N 0 0 449.540 3.526 50 0 IHAARN CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000058167028 556767137 /nfs/dbraw/zinc/76/71/37/556767137.db2.gz WIHHBRRHBMIBSS-UHFFFAOYSA-N 0 0 449.507 3.686 50 0 IHAARN CC(C)(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)n1cc(Br)cn1 ZINC000058171279 556768270 /nfs/dbraw/zinc/76/82/70/556768270.db2.gz AKJDYBLIPGJCPW-UHFFFAOYSA-N 0 0 440.363 3.736 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058172417 556768556 /nfs/dbraw/zinc/76/85/56/556768556.db2.gz MTEWGFBJGMGODZ-UHFFFAOYSA-N 0 0 436.581 3.530 50 0 IHAARN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000058175736 556769506 /nfs/dbraw/zinc/76/95/06/556769506.db2.gz VVFDFANZCUIVJM-UHFFFAOYSA-N 0 0 425.441 3.831 50 0 IHAARN CCOC(=O)[C@@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc21 ZINC000058215818 556772601 /nfs/dbraw/zinc/77/26/01/556772601.db2.gz QBQAPTDFTJFJIS-VWLOTQADSA-N 0 0 445.519 3.799 50 0 IHAARN COC(=O)CCN(Cc1ccccc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000058298327 556778606 /nfs/dbraw/zinc/77/86/06/556778606.db2.gz VODCSRLVLJXSLF-UHFFFAOYSA-N 0 0 427.482 3.624 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnccc3OC)cc2)cc1 ZINC000058305348 556779076 /nfs/dbraw/zinc/77/90/76/556779076.db2.gz LDXFKHLVCMUJPV-UHFFFAOYSA-N 0 0 427.482 3.542 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@@](C)(c4cccs4)C3=O)cc2)cc1 ZINC000058423659 556787736 /nfs/dbraw/zinc/78/77/36/556787736.db2.gz CBWDICSOLYCJMP-QFIPXVFZSA-N 0 0 440.546 3.857 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)OCc1csc(-c2ccccn2)n1 ZINC000058785382 556791902 /nfs/dbraw/zinc/79/19/02/556791902.db2.gz LOMPAHWTCBTNFZ-UHFFFAOYSA-N 0 0 428.535 3.601 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H]4CCCC[C@H]4C)cc3C2=O)c1 ZINC000011184909 556792259 /nfs/dbraw/zinc/79/22/59/556792259.db2.gz OIGSXDCTTRQHGT-IERDGZPVSA-N 0 0 448.519 3.956 50 0 IHAARN Cc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)n(-c2ccccc2)n1 ZINC000019535688 556793958 /nfs/dbraw/zinc/79/39/58/556793958.db2.gz KFVYKHFGPKRNEU-UHFFFAOYSA-N 0 0 429.977 3.652 50 0 IHAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000059374069 556799183 /nfs/dbraw/zinc/79/91/83/556799183.db2.gz XDAFTQYJFJAYNW-KRWDZBQOSA-N 0 0 446.617 3.929 50 0 IHAARN C[C@@H](C(=O)NCCn1ccc2ccc(Br)cc21)N1Cc2ccccc2C1=O ZINC000072401304 556800282 /nfs/dbraw/zinc/80/02/82/556800282.db2.gz YPFXWCLSWSIGPZ-AWEZNQCLSA-N 0 0 426.314 3.565 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cccc(OC(F)F)c1 ZINC000003249898 556804933 /nfs/dbraw/zinc/80/49/33/556804933.db2.gz NETWQKDOFSFWBG-UHFFFAOYSA-N 0 0 427.425 3.939 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOc1ccccc1-c1ccccc1 ZINC000060113560 556806512 /nfs/dbraw/zinc/80/65/12/556806512.db2.gz UYUOMHKAFKZXOO-RRPUWOKSSA-N 0 0 439.581 3.574 50 0 IHAARN Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1F ZINC000011201190 556809484 /nfs/dbraw/zinc/80/94/84/556809484.db2.gz KYJBMWFFVZIWSY-UHFFFAOYSA-N 0 0 444.572 3.730 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCCOc1ccc(F)cc1 ZINC000011202425 556809977 /nfs/dbraw/zinc/80/99/77/556809977.db2.gz ZMADSVFPLFVZJR-UHFFFAOYSA-N 0 0 447.459 3.930 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2Br)cc1 ZINC000003450683 556816072 /nfs/dbraw/zinc/81/60/72/556816072.db2.gz KNZQJSZNCRPQOR-UHFFFAOYSA-N 0 0 433.302 3.761 50 0 IHAARN COc1cc(NC(=O)CCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc(OC)c1 ZINC000033061311 556816996 /nfs/dbraw/zinc/81/69/96/556816996.db2.gz FSDGJAFOOOZAHQ-UHFFFAOYSA-N 0 0 426.498 3.687 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000033067991 556820328 /nfs/dbraw/zinc/82/03/28/556820328.db2.gz JPXKCCUCEJAHFD-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccc2nc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)cc(=O)n2c1 ZINC000033068155 556820604 /nfs/dbraw/zinc/82/06/04/556820604.db2.gz VCEKLESTSJKAGT-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN CC(C)N(C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000005572463 556826672 /nfs/dbraw/zinc/82/66/72/556826672.db2.gz NFHKTFXOWKFQGN-UHFFFAOYSA-N 0 0 426.488 3.663 50 0 IHAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(=O)N2 ZINC000072404978 556839412 /nfs/dbraw/zinc/83/94/12/556839412.db2.gz JIBMUFDYBXKILZ-LLVKDONJSA-N 0 0 429.362 3.869 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCC2 ZINC000072405656 556840807 /nfs/dbraw/zinc/84/08/07/556840807.db2.gz DHRJSAIXFZICFJ-LJQANCHMSA-N 0 0 425.554 3.769 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2C(C)C)cc1 ZINC000008766727 556845896 /nfs/dbraw/zinc/84/58/96/556845896.db2.gz WSCFNNGYULABCM-UHFFFAOYSA-N 0 0 431.562 3.785 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 ZINC000008780246 556846395 /nfs/dbraw/zinc/84/63/95/556846395.db2.gz OCRLVONERIOFBH-UHFFFAOYSA-N 0 0 449.602 3.798 50 0 IHAARN Cc1oc(-c2cccs2)nc1CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096837145 556846959 /nfs/dbraw/zinc/84/69/59/556846959.db2.gz ZOZDJEITLAKOTK-DHDCSXOGSA-N 0 0 429.567 3.830 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(c2nc3cc(Br)ccc3[nH]2)CC1 ZINC000033071241 556851440 /nfs/dbraw/zinc/85/14/40/556851440.db2.gz HIZRPRWZLMGMNO-UHFFFAOYSA-N 0 0 443.345 3.867 50 0 IHAARN COc1ccccc1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000033087818 556855441 /nfs/dbraw/zinc/85/54/41/556855441.db2.gz XLBAHERAOCKEJG-UHFFFAOYSA-N 0 0 445.566 3.533 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CS(=O)(=O)C3)cc1 ZINC000004659392 556858306 /nfs/dbraw/zinc/85/83/06/556858306.db2.gz VXPSKHCOGZRETE-UHFFFAOYSA-N 0 0 425.554 3.764 50 0 IHAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000033122792 556863536 /nfs/dbraw/zinc/86/35/36/556863536.db2.gz IOWYPJAIVAVSRB-CQSZACIVSA-N 0 0 438.465 3.621 50 0 IHAARN Cc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1F ZINC000033122529 556863626 /nfs/dbraw/zinc/86/36/26/556863626.db2.gz JKQSTDMREDPVAN-UHFFFAOYSA-N 0 0 425.913 3.762 50 0 IHAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000033122656 556863690 /nfs/dbraw/zinc/86/36/90/556863690.db2.gz ILQBQONHUZDIGL-UHFFFAOYSA-N 0 0 431.558 3.595 50 0 IHAARN COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128201 556865288 /nfs/dbraw/zinc/86/52/88/556865288.db2.gz OTNHHRVZFCQALY-HNNXBMFYSA-N 0 0 443.956 4.000 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033141810 556878225 /nfs/dbraw/zinc/87/82/25/556878225.db2.gz VEAGASZFZVFAIY-UHFFFAOYSA-N 0 0 444.534 3.921 50 0 IHAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 ZINC000033153852 556878598 /nfs/dbraw/zinc/87/85/98/556878598.db2.gz NEVCHRJYFQUKMZ-QNGOZBTKSA-N 0 0 449.532 3.860 50 0 IHAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000033168967 556881136 /nfs/dbraw/zinc/88/11/36/556881136.db2.gz JUUCGFZTMWQSRF-LJQANCHMSA-N 0 0 446.507 3.839 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)CC1 ZINC000033172537 556882844 /nfs/dbraw/zinc/88/28/44/556882844.db2.gz RTDJYSLWJFMULO-UHFFFAOYSA-N 0 0 447.564 3.869 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000033173298 556883335 /nfs/dbraw/zinc/88/33/35/556883335.db2.gz DGWFUXMKGZDHTQ-MRXNPFEDSA-N 0 0 431.462 3.828 50 0 IHAARN COc1cccc(N2CCN(c3cc(SCC(=O)Nc4ccccc4)ncn3)CC2)c1 ZINC000033174770 556884486 /nfs/dbraw/zinc/88/44/86/556884486.db2.gz HLNIKNDYYCBRAV-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)C1 ZINC000033169489 556884761 /nfs/dbraw/zinc/88/47/61/556884761.db2.gz BBNRDFUUDGBUPW-CQSZACIVSA-N 0 0 428.601 3.761 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)NC3CCCCC3)CC2)c1C ZINC000033170136 556885469 /nfs/dbraw/zinc/88/54/69/556885469.db2.gz UZTLCWZMZGXVAU-UHFFFAOYSA-N 0 0 439.629 3.961 50 0 IHAARN CCOc1ccccc1CNC(=O)c1ccc(-c2nc3cccnc3n(CC)c2=O)cc1 ZINC000033170289 556885609 /nfs/dbraw/zinc/88/56/09/556885609.db2.gz GXKFSEQYOXDLLG-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1 ZINC000033170488 556885952 /nfs/dbraw/zinc/88/59/52/556885952.db2.gz VAGOZLWJZYRAEQ-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1 ZINC000033249302 556889030 /nfs/dbraw/zinc/88/90/30/556889030.db2.gz SPSXVMSRBBFYTQ-UHFFFAOYSA-N 0 0 442.512 3.803 50 0 IHAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1 ZINC000033249426 556889325 /nfs/dbraw/zinc/88/93/25/556889325.db2.gz IBSFQTVDFSXHSO-UHFFFAOYSA-N 0 0 442.512 3.632 50 0 IHAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000033258665 556896371 /nfs/dbraw/zinc/89/63/71/556896371.db2.gz DZJNZKPWTBHSQQ-UHFFFAOYSA-N 0 0 443.463 3.767 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)ncn2)c1C ZINC000072115847 556897918 /nfs/dbraw/zinc/89/79/18/556897918.db2.gz FKMFYQXNYLETHM-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN O=C(Cn1nc2ccc(Sc3ccccc3)nn2c1=O)Nc1ccccc1C(F)(F)F ZINC000033261748 556899627 /nfs/dbraw/zinc/89/96/27/556899627.db2.gz INVKWQXIVRDKDL-UHFFFAOYSA-N 0 0 445.426 3.700 50 0 IHAARN CCCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793289 556915721 /nfs/dbraw/zinc/91/57/21/556915721.db2.gz QOAGOBNZFFMORK-UHFFFAOYSA-N 0 0 433.552 3.721 50 0 IHAARN COC(=O)c1ccccc1NC(=O)NCCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000033263719 556917513 /nfs/dbraw/zinc/91/75/13/556917513.db2.gz YBBBKJIKRIBQHY-UHFFFAOYSA-N 0 0 443.507 3.939 50 0 IHAARN COc1cc(NC(=O)NCc2cccc(NC(=O)c3ccco3)c2)ccc1N1CCCC1=O ZINC000069841611 556923889 /nfs/dbraw/zinc/92/38/89/556923889.db2.gz LIXQSKAKTYPZIO-UHFFFAOYSA-N 0 0 448.479 3.989 50 0 IHAARN COc1cc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O ZINC000019823826 556925145 /nfs/dbraw/zinc/92/51/45/556925145.db2.gz SWTBCAFFRDSLER-UHFFFAOYSA-N 0 0 446.547 3.886 50 0 IHAARN COc1ccc(-c2cc(-c3nnc4sc(-c5c(OC)cccc5OC)nn43)[nH]n2)cc1 ZINC000019827728 556926283 /nfs/dbraw/zinc/92/62/83/556926283.db2.gz PREJXDMSFVOMOQ-UHFFFAOYSA-N 0 0 434.481 3.936 50 0 IHAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019836665 556928272 /nfs/dbraw/zinc/92/82/72/556928272.db2.gz ACFXJDXUHHKESG-UHFFFAOYSA-N 0 0 426.379 3.854 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 ZINC000019859904 556932484 /nfs/dbraw/zinc/93/24/84/556932484.db2.gz LSQZGMASBAWVRO-KRWDZBQOSA-N 0 0 434.945 3.723 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1 ZINC000019899879 556941630 /nfs/dbraw/zinc/94/16/30/556941630.db2.gz INKFNGXPLFWEDG-NRFANRHFSA-N 0 0 428.536 3.720 50 0 IHAARN O=C1C[C@@H](c2cccs2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000019899903 556941738 /nfs/dbraw/zinc/94/17/38/556941738.db2.gz QNGBYPTUMIAJPT-KRWDZBQOSA-N 0 0 448.548 3.502 50 0 IHAARN CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)c1ccccc1 ZINC000019925988 556945016 /nfs/dbraw/zinc/94/50/16/556945016.db2.gz NKWFAXXKXNGIAT-UHFFFAOYSA-N 0 0 444.582 3.548 50 0 IHAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019929738 556947882 /nfs/dbraw/zinc/94/78/82/556947882.db2.gz BUGZAOXJKSBMNV-UHFFFAOYSA-N 0 0 430.932 3.881 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 ZINC000072436848 556972673 /nfs/dbraw/zinc/97/26/73/556972673.db2.gz CEYJLQIQVZRLMH-UHFFFAOYSA-N 0 0 438.919 3.548 50 0 IHAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)C1 ZINC000033264339 556973933 /nfs/dbraw/zinc/97/39/33/556973933.db2.gz HALWUTPBSYUOCO-HSZRJFAPSA-N 0 0 434.584 3.946 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)C1 ZINC000033264490 556973959 /nfs/dbraw/zinc/97/39/59/556973959.db2.gz LMXKFEWDGTZPPB-FQEVSTJZSA-N 0 0 440.975 3.821 50 0 IHAARN CCCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000011234791 556979142 /nfs/dbraw/zinc/97/91/42/556979142.db2.gz SKVPJCSOWLNNRV-INIZCTEOSA-N 0 0 438.619 3.751 50 0 IHAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000020100727 556980377 /nfs/dbraw/zinc/98/03/77/556980377.db2.gz LLEHFHGKRSCUKH-UHFFFAOYSA-N 0 0 427.614 3.938 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000097112525 556989543 /nfs/dbraw/zinc/98/95/43/556989543.db2.gz PXJOXZVPJZDJBQ-HXUWFJFHSA-N 0 0 448.548 3.884 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c2c1 ZINC000020177493 556995727 /nfs/dbraw/zinc/99/57/27/556995727.db2.gz BGGNUUGWYYQCTL-UHFFFAOYSA-N 0 0 449.551 3.565 50 0 IHAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCCc1ccc2c(c1)OCCO2 ZINC000011241569 556997021 /nfs/dbraw/zinc/99/70/21/556997021.db2.gz WMNCZCXXRXROJR-UHFFFAOYSA-N 0 0 449.887 3.981 50 0 IHAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCCC[C@H]1CCn1cccn1 ZINC000077387128 556999341 /nfs/dbraw/zinc/99/93/41/556999341.db2.gz ZNALYRXMAILWMH-IBGZPJMESA-N 0 0 432.528 3.742 50 0 IHAARN C[C@H]1CCc2c(sc3nc(CCC(=O)NCCc4c[nH]c5ccccc45)[nH]c(=O)c32)C1 ZINC000023126472 557008214 /nfs/dbraw/zinc/00/82/14/557008214.db2.gz IRYZGSKUHVVKIE-AWEZNQCLSA-N 0 0 434.565 3.882 50 0 IHAARN Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)nn12 ZINC000020352453 557009240 /nfs/dbraw/zinc/00/92/40/557009240.db2.gz PYEMCMNDLXRIBH-UHFFFAOYSA-N 0 0 427.917 3.818 50 0 IHAARN O=c1ccc(-c2ccc(Br)cc2)nn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000023126874 557011341 /nfs/dbraw/zinc/01/13/41/557011341.db2.gz WFTQGQKFURISNE-UHFFFAOYSA-N 0 0 427.233 3.910 50 0 IHAARN Cn1c2cc(NC(=O)Nc3ccccc3Br)c(N3CCCC3)cc2n(C)c1=O ZINC000045994400 557014700 /nfs/dbraw/zinc/01/47/00/557014700.db2.gz DXLSGZZTZPVOPK-UHFFFAOYSA-N 0 0 444.333 3.884 50 0 IHAARN Cc1cc(N2CCN([C@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)CC2)nc(C(C)C)n1 ZINC000011267217 557015165 /nfs/dbraw/zinc/01/51/65/557015165.db2.gz ALWSGGPNEVISMC-QFIPXVFZSA-N 0 0 443.551 3.516 50 0 IHAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000032943524 557019513 /nfs/dbraw/zinc/01/95/13/557019513.db2.gz IKMRYTLPFSIMPZ-UHFFFAOYSA-N 0 0 439.464 3.996 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(COc2ccccc2)o1 ZINC000010701918 557019844 /nfs/dbraw/zinc/01/98/44/557019844.db2.gz PNYOSMXRBPWNBS-UHFFFAOYSA-N 0 0 435.480 3.918 50 0 IHAARN O=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)Nc1ccnn1Cc1ccccc1Cl ZINC000010714012 557020321 /nfs/dbraw/zinc/02/03/21/557020321.db2.gz ZFKCTTJCSSUBAN-UHFFFAOYSA-N 0 0 448.262 3.762 50 0 IHAARN COc1ccc(-c2nc(CC(=O)NCCn3c(C)nc4ccccc43)cs2)cc1OC ZINC000010737170 557021964 /nfs/dbraw/zinc/02/19/64/557021964.db2.gz WYMKHOZBYLELLR-UHFFFAOYSA-N 0 0 436.537 3.844 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCc3ccc(SC)cc3)n2C)c1 ZINC000046023089 557023005 /nfs/dbraw/zinc/02/30/05/557023005.db2.gz MNRINFMCLDLMSB-UHFFFAOYSA-N 0 0 445.610 3.861 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)N3CCN(C)CC3)cc(-c3ccccc3)c12 ZINC000046016661 557023300 /nfs/dbraw/zinc/02/33/00/557023300.db2.gz YEHXORJJMHGHBI-UHFFFAOYSA-N 0 0 441.535 3.549 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)N3CCN(c4ccccc4)CC3)cc(C)c12 ZINC000046016798 557023344 /nfs/dbraw/zinc/02/33/44/557023344.db2.gz KQZFHVKOAIPEEQ-UHFFFAOYSA-N 0 0 441.535 3.765 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCCCC1 ZINC000046027396 557023380 /nfs/dbraw/zinc/02/33/80/557023380.db2.gz CHGOSZPZHLGVLI-UHFFFAOYSA-N 0 0 429.586 3.636 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)CCc4ccccc4)s3)nc12 ZINC000046031554 557024421 /nfs/dbraw/zinc/02/44/21/557024421.db2.gz OGZKVJIVDPNZDZ-UHFFFAOYSA-N 0 0 437.550 3.718 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc(OCC)c1OCC ZINC000010751126 557025010 /nfs/dbraw/zinc/02/50/10/557025010.db2.gz IEJWXCMFDRILSS-UHFFFAOYSA-N 0 0 447.484 3.695 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000010765915 557025157 /nfs/dbraw/zinc/02/51/57/557025157.db2.gz WKORTARAXQSNAP-UHFFFAOYSA-N 0 0 432.489 3.872 50 0 IHAARN Cc1cc(Cl)c(C)c(S(=O)(=O)Oc2ccccc2C(=O)N2CCOCC2)c1Cl ZINC000010761920 557025196 /nfs/dbraw/zinc/02/51/96/557025196.db2.gz UEPFDMKTGPXYFF-UHFFFAOYSA-N 0 0 444.336 3.850 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000046044605 557025447 /nfs/dbraw/zinc/02/54/47/557025447.db2.gz PYRNHPKWHWGPRT-AWEZNQCLSA-N 0 0 449.320 3.765 50 0 IHAARN COc1ccc(CCNC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000023145199 557026852 /nfs/dbraw/zinc/02/68/52/557026852.db2.gz RYHMFIWUAUYGOO-UHFFFAOYSA-N 0 0 442.610 3.950 50 0 IHAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)c1 ZINC000046053952 557027409 /nfs/dbraw/zinc/02/74/09/557027409.db2.gz ZTLJFXXRIXAYBV-UHFFFAOYSA-N 0 0 426.494 3.944 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032945029 557028351 /nfs/dbraw/zinc/02/83/51/557028351.db2.gz UBCKMPMRUFHCSK-CQSZACIVSA-N 0 0 433.430 3.918 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074558 557030736 /nfs/dbraw/zinc/03/07/36/557030736.db2.gz FIPDWYPTDXFUOB-HNNXBMFYSA-N 0 0 440.912 3.780 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2F)CC(=O)N3)cc1 ZINC000046074938 557031476 /nfs/dbraw/zinc/03/14/76/557031476.db2.gz AKWWYLHVPCTPPI-AWEZNQCLSA-N 0 0 438.484 3.574 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2C[C@H]1C ZINC000009676660 557031637 /nfs/dbraw/zinc/03/16/37/557031637.db2.gz FYTDPAKKBYMDPG-CYBMUJFWSA-N 0 0 437.359 3.962 50 0 IHAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000046079126 557034147 /nfs/dbraw/zinc/03/41/47/557034147.db2.gz PUQVHKVGZSDNSV-UHFFFAOYSA-N 0 0 430.386 3.526 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc2c(c1)CCCC2 ZINC000017192331 557037300 /nfs/dbraw/zinc/03/73/00/557037300.db2.gz UDFAMKMUMJCUBI-UHFFFAOYSA-N 0 0 438.578 3.858 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)s2)cc1 ZINC000046124228 557037424 /nfs/dbraw/zinc/03/74/24/557037424.db2.gz LEMPCTJNVBQLES-CQSZACIVSA-N 0 0 448.595 3.729 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1ccccn1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243752 557043661 /nfs/dbraw/zinc/04/36/61/557043661.db2.gz PJYJZYRMVZZOJO-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccccc2C)n(C)c(=O)n3C)cc1 ZINC000046145981 557044359 /nfs/dbraw/zinc/04/43/59/557044359.db2.gz FWPGYOXWVWYJAF-UHFFFAOYSA-N 0 0 449.532 3.579 50 0 IHAARN CCn1c2cc(NC(=O)c3ccco3)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145865 557044386 /nfs/dbraw/zinc/04/43/86/557044386.db2.gz BOFAJSDCHAJMTH-UHFFFAOYSA-N 0 0 439.493 3.521 50 0 IHAARN C[C@H]1C[C@H](C)CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000017244996 557044461 /nfs/dbraw/zinc/04/44/61/557044461.db2.gz SVNXDWKLDMLSNG-RYUDHWBXSA-N 0 0 449.019 3.515 50 0 IHAARN COc1cc(OC)c(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1Cl ZINC000017295399 557046344 /nfs/dbraw/zinc/04/63/44/557046344.db2.gz KGXWSOPIAGETEE-HNNXBMFYSA-N 0 0 441.915 3.550 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000048249338 557048695 /nfs/dbraw/zinc/04/86/95/557048695.db2.gz IXUUHYBKCBTMPP-OAQYLSRUSA-N 0 0 438.547 3.770 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000022928797 557048909 /nfs/dbraw/zinc/04/89/09/557048909.db2.gz UFXTWVWLXZJXNE-UHFFFAOYSA-N 0 0 438.524 3.945 50 0 IHAARN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022932466 557050598 /nfs/dbraw/zinc/05/05/98/557050598.db2.gz GTMZZRPPEPMQGW-WIYYLYMNSA-N 0 0 434.609 3.996 50 0 IHAARN Cc1cccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)c1C ZINC000033273361 557051555 /nfs/dbraw/zinc/05/15/55/557051555.db2.gz YRLMCVIENWLIJG-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN Cc1ccc([C@@H]2[C@@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C ZINC000048251013 557051888 /nfs/dbraw/zinc/05/18/88/557051888.db2.gz WDHUKSGVZAOITP-DNQXCXABSA-N 0 0 426.532 3.886 50 0 IHAARN Cc1cc(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000048252753 557052227 /nfs/dbraw/zinc/05/22/27/557052227.db2.gz KESTYJQLJDMDOO-KRWDZBQOSA-N 0 0 429.567 3.830 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 ZINC000033272957 557052831 /nfs/dbraw/zinc/05/28/31/557052831.db2.gz KYTFBGVHNBTOSW-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCN(C)CC2)o1 ZINC000022938480 557053325 /nfs/dbraw/zinc/05/33/25/557053325.db2.gz VASFEFNQZBFEMO-LJQANCHMSA-N 0 0 428.920 3.615 50 0 IHAARN Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275002 557053521 /nfs/dbraw/zinc/05/35/21/557053521.db2.gz FMVKWKNFXCZOPS-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2oc3c(ccc4ccccc34)c2C)cc1 ZINC000022987586 557055987 /nfs/dbraw/zinc/05/59/87/557055987.db2.gz BDNJTAXGIBFMSN-UHFFFAOYSA-N 0 0 438.505 3.611 50 0 IHAARN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000023013966 557057748 /nfs/dbraw/zinc/05/77/48/557057748.db2.gz KUYQOZXLEALNEP-IBGZPJMESA-N 0 0 437.565 3.526 50 0 IHAARN CCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(N4CCOCC4)nc3)c2C)cc1 ZINC000033277390 557059261 /nfs/dbraw/zinc/05/92/61/557059261.db2.gz QOUVYASUNFRPJF-UHFFFAOYSA-N 0 0 434.540 3.654 50 0 IHAARN CS(=O)(=O)c1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)c2ccccn21 ZINC000048310876 557060600 /nfs/dbraw/zinc/06/06/00/557060600.db2.gz GVIOALHFKQUDES-UHFFFAOYSA-N 0 0 432.505 3.684 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000048311396 557060932 /nfs/dbraw/zinc/06/09/32/557060932.db2.gz IGCPLNSOYJXKHZ-FQEVSTJZSA-N 0 0 428.895 3.736 50 0 IHAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000023079949 557062430 /nfs/dbraw/zinc/06/24/30/557062430.db2.gz IYLNXCOAEWILIJ-GDBMZVCRSA-N 0 0 443.594 3.921 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1 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CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 ZINC000033289675 557071265 /nfs/dbraw/zinc/07/12/65/557071265.db2.gz HRVBCSOYBBENKV-LJQANCHMSA-N 0 0 447.495 3.673 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2s1 ZINC000033299064 557075403 /nfs/dbraw/zinc/07/54/03/557075403.db2.gz PETIJPIFYJFMNP-UHFFFAOYSA-N 0 0 428.532 3.728 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 ZINC000033299166 557075552 /nfs/dbraw/zinc/07/55/52/557075552.db2.gz RBKNQMIBALYVFT-OAQYLSRUSA-N 0 0 444.535 3.879 50 0 IHAARN CC(C)c1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(F)cc4)no2)c3=O)cc1 ZINC000033293106 557076059 /nfs/dbraw/zinc/07/60/59/557076059.db2.gz CQMXWKBABYDKJY-UHFFFAOYSA-N 0 0 430.443 3.943 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@H](C)O1 ZINC000060674239 557076741 /nfs/dbraw/zinc/07/67/41/557076741.db2.gz XQUPNPJLIVFUQG-YRNRMSPPSA-N 0 0 434.583 3.523 50 0 IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C 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CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cnc3ccccc3c2)c1 ZINC000023353474 557086666 /nfs/dbraw/zinc/08/66/66/557086666.db2.gz ZOQSUMWVGIAKBZ-UHFFFAOYSA-N 0 0 438.553 3.728 50 0 IHAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3c(C)cccc3C)nc12 ZINC000049009104 557087176 /nfs/dbraw/zinc/08/71/76/557087176.db2.gz LLYKQNXHOLYXAD-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000010905156 557087973 /nfs/dbraw/zinc/08/79/73/557087973.db2.gz JVXUXHZVUJYSMX-UHFFFAOYSA-N 0 0 441.535 3.850 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O ZINC000049002473 557090233 /nfs/dbraw/zinc/09/02/33/557090233.db2.gz WHSRIKHBFKHRKC-UHFFFAOYSA-N 0 0 434.427 3.660 50 0 IHAARN COc1ccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1OC ZINC000023384351 557090316 /nfs/dbraw/zinc/09/03/16/557090316.db2.gz TYBUMYZYUAROEH-UHFFFAOYSA-N 0 0 445.519 3.589 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023396654 557090366 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3.903 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000023538194 557096428 /nfs/dbraw/zinc/09/64/28/557096428.db2.gz SIEOKXRGQXHVKE-UHFFFAOYSA-N 0 0 448.567 3.678 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000033312752 557096542 /nfs/dbraw/zinc/09/65/42/557096542.db2.gz KVSXBUGIEQDKHF-QFIPXVFZSA-N 0 0 445.485 3.543 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1 ZINC000023560238 557098728 /nfs/dbraw/zinc/09/87/28/557098728.db2.gz MXOSCDMDRKZTFV-INIZCTEOSA-N 0 0 439.537 3.532 50 0 IHAARN c1ccc2c(c1)c(Cc1ccncc1)nnc2N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033315029 557098914 /nfs/dbraw/zinc/09/89/14/557098914.db2.gz KDNQDGFHWXQNJL-UHFFFAOYSA-N 0 0 439.519 3.667 50 0 IHAARN COc1ccc(N2C(=O)C(=O)N(CN(C)C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000023610438 557101128 /nfs/dbraw/zinc/10/11/28/557101128.db2.gz VOCXPUZUJINMCS-UHFFFAOYSA-N 0 0 429.476 3.669 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1)c1cccc(Cl)c1 ZINC000049406159 557101231 /nfs/dbraw/zinc/10/12/31/557101231.db2.gz UJSPXLCIYJRQJF-UHFFFAOYSA-N 0 0 444.322 3.609 50 0 IHAARN COCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O ZINC000023632987 557101792 /nfs/dbraw/zinc/10/17/92/557101792.db2.gz PYEZQSDZZUELSM-ZDUSSCGKSA-N 0 0 442.566 3.811 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)c1C ZINC000085620663 557102171 /nfs/dbraw/zinc/10/21/71/557102171.db2.gz RNBLZVLTIOAENS-QGZVFWFLSA-N 0 0 445.947 3.630 50 0 IHAARN COc1cccc(CNC(=O)c2nnn(-c3ccc(SC)cc3)c2-c2ccccn2)c1 ZINC000049406939 557102450 /nfs/dbraw/zinc/10/24/50/557102450.db2.gz KKSAWRAQRBUDMX-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccc(F)cc3)cn12 ZINC000049408538 557103416 /nfs/dbraw/zinc/10/34/16/557103416.db2.gz CEYAZHQMYSXPPM-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408628 557103704 /nfs/dbraw/zinc/10/37/04/557103704.db2.gz ZALWADUJQHSHMN-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN Cc1nc(C)c(C(=O)N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)s1 ZINC000585147524 557104873 /nfs/dbraw/zinc/10/48/73/557104873.db2.gz CMFGCFXFEZRHEC-UHFFFAOYSA-N 0 0 426.517 3.675 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C ZINC000017659120 557105593 /nfs/dbraw/zinc/10/55/93/557105593.db2.gz GBTVKWVBUHTWBF-IUODEOHRSA-N 0 0 443.481 3.677 50 0 IHAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3cccc(C)c3)ccc2n1C ZINC000033320994 557105796 /nfs/dbraw/zinc/10/57/96/557105796.db2.gz YJZITVINQIBRTJ-UHFFFAOYSA-N 0 0 436.556 3.994 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2nc3cc(C)nc(Nc4cc(C)cc(C)c4)n3c2=O)c1 ZINC000049410659 557105880 /nfs/dbraw/zinc/10/58/80/557105880.db2.gz NWMHRYKZZHLNCW-UHFFFAOYSA-N 0 0 430.512 3.531 50 0 IHAARN Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1cc(-c2nc(C(C)C)no2)ccn1 ZINC000049420824 557107223 /nfs/dbraw/zinc/10/72/23/557107223.db2.gz WMKWRTCLOZBALR-UHFFFAOYSA-N 0 0 428.496 3.948 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325511 557107574 /nfs/dbraw/zinc/10/75/74/557107574.db2.gz LRIUSJMBDAYZAB-HXUWFJFHSA-N 0 0 427.570 3.838 50 0 IHAARN Cc1nc2nc(-c3ccccc3Cl)nn2c(C)c1CC(=O)N(CCO)Cc1ccccc1 ZINC000086069660 557108047 /nfs/dbraw/zinc/10/80/47/557108047.db2.gz LWFNMYUPDBVPJT-UHFFFAOYSA-N 0 0 449.942 3.625 50 0 IHAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(OC)cc4OC)c(C)n3n2)cc1 ZINC000086069739 557108089 /nfs/dbraw/zinc/10/80/89/557108089.db2.gz DYDHDMJXBIEOIH-UHFFFAOYSA-N 0 0 447.495 3.615 50 0 IHAARN CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2n1C(C)C ZINC000409413006 557109469 /nfs/dbraw/zinc/10/94/69/557109469.db2.gz LWJKEIDPOGVZNG-XMMPIXPASA-N 0 0 435.572 3.956 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3noc(-c4cccc(C)c4)n3)CC2)c1 ZINC000033327678 557110547 /nfs/dbraw/zinc/11/05/47/557110547.db2.gz QMYGHFSHAQPWSD-UHFFFAOYSA-N 0 0 433.512 3.854 50 0 IHAARN COc1cc(N2c3c(sc(=O)n3C)[C@@H](c3ccccc3F)CC2=O)cc(OC)c1OC ZINC000049547317 557112142 /nfs/dbraw/zinc/11/21/42/557112142.db2.gz LSZPCNBIKGTEAE-CQSZACIVSA-N 0 0 444.484 3.812 50 0 IHAARN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000023738018 557112281 /nfs/dbraw/zinc/11/22/81/557112281.db2.gz CZRUYRLRYKJVFL-JOCHJYFZSA-N 0 0 438.549 3.820 50 0 IHAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cc(-c2ccco2)on1 ZINC000049511406 557114158 /nfs/dbraw/zinc/11/41/58/557114158.db2.gz ZPRDHMDRCHNQMT-UHFFFAOYSA-N 0 0 449.488 3.934 50 0 IHAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000049592615 557114803 /nfs/dbraw/zinc/11/48/03/557114803.db2.gz WPHCCCWSNIQMRR-UHFFFAOYSA-N 0 0 444.457 3.610 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000033331922 557116250 /nfs/dbraw/zinc/11/62/50/557116250.db2.gz SEDAKFSWGUBXBG-YOHDVBOVSA-N 0 0 429.561 3.959 50 0 IHAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023817467 557118019 /nfs/dbraw/zinc/11/80/19/557118019.db2.gz WPPWEPAWIYQCSR-UHFFFAOYSA-N 0 0 446.532 3.506 50 0 IHAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014898046 557118374 /nfs/dbraw/zinc/11/83/74/557118374.db2.gz WLCUWKGBPUUKJY-VMPITWQZSA-N 0 0 425.489 3.653 50 0 IHAARN CCOc1cc(CO)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000001148326 557119375 /nfs/dbraw/zinc/11/93/75/557119375.db2.gz BMRXGYKRSFPDLM-UHFFFAOYSA-N 0 0 441.265 3.508 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC000001196070 557120023 /nfs/dbraw/zinc/12/00/23/557120023.db2.gz DYVYOJKDUTUKMU-MRXNPFEDSA-N 0 0 436.249 3.893 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(=O)n3ccsc3n1)CC2 ZINC000023866986 557121682 /nfs/dbraw/zinc/12/16/82/557121682.db2.gz FHUMZYYKNHXCOC-QHCPKHFHSA-N 0 0 433.533 3.921 50 0 IHAARN CCCNC(=O)[C@H](C)NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000017800782 557122993 /nfs/dbraw/zinc/12/29/93/557122993.db2.gz FCTSRTPQHGPVMJ-AWEZNQCLSA-N 0 0 449.345 3.681 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000023908794 557125283 /nfs/dbraw/zinc/12/52/83/557125283.db2.gz WPANZNCUODYMOY-ZRZAMGCNSA-N 0 0 426.520 3.880 50 0 IHAARN CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000023909126 557125501 /nfs/dbraw/zinc/12/55/01/557125501.db2.gz ZRCUQWGDMFFAGB-RUZDIDTESA-N 0 0 447.560 3.987 50 0 IHAARN CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000023909123 557125537 /nfs/dbraw/zinc/12/55/37/557125537.db2.gz ZRCUQWGDMFFAGB-VWLOTQADSA-N 0 0 447.560 3.987 50 0 IHAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000023934936 557126212 /nfs/dbraw/zinc/12/62/12/557126212.db2.gz QGSNSUNVJIKTDR-HXUWFJFHSA-N 0 0 436.581 3.597 50 0 IHAARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000206696772 557128830 /nfs/dbraw/zinc/12/88/30/557128830.db2.gz HHNRZSGBFZBJTM-QGZVFWFLSA-N 0 0 425.959 3.676 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(N4CCCC4)n3C3CC3)c2C)no1 ZINC000011377782 557129900 /nfs/dbraw/zinc/12/99/00/557129900.db2.gz XBLIESASICTBGK-UHFFFAOYSA-N 0 0 426.546 3.892 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017952952 557130525 /nfs/dbraw/zinc/13/05/25/557130525.db2.gz ILJJGQCDYHLQGO-ZRBLBEILSA-N 0 0 442.471 3.833 50 0 IHAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000023994404 557130617 /nfs/dbraw/zinc/13/06/17/557130617.db2.gz JNVXJYTZVCLINQ-UHFFFAOYSA-N 0 0 439.580 3.578 50 0 IHAARN CN1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2nc3ccccc3nc21 ZINC000010934744 557133587 /nfs/dbraw/zinc/13/35/87/557133587.db2.gz WEGHAKZKRUBPTE-UHFFFAOYSA-N 0 0 442.523 3.861 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000024094484 557136727 /nfs/dbraw/zinc/13/67/27/557136727.db2.gz BUQAVIYEEWFPBC-KRWDZBQOSA-N 0 0 437.521 3.934 50 0 IHAARN CCc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C(C)C)cc1 ZINC000024778050 557138047 /nfs/dbraw/zinc/13/80/47/557138047.db2.gz KEHGGQXQYWUPKZ-QFIPXVFZSA-N 0 0 431.602 3.502 50 0 IHAARN O=C(c1ccccc1I)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024141904 557138241 /nfs/dbraw/zinc/13/82/41/557138241.db2.gz SRFUGBSPCUFTEL-UHFFFAOYSA-N 0 0 440.325 3.546 50 0 IHAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177588 557139744 /nfs/dbraw/zinc/13/97/44/557139744.db2.gz PZVXZUXMZGVYQN-UHFFFAOYSA-N 0 0 444.531 3.995 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024192924 557140101 /nfs/dbraw/zinc/14/01/01/557140101.db2.gz WAFQKMKNCAEQGK-JOCHJYFZSA-N 0 0 436.483 3.508 50 0 IHAARN O=C(CCSc1ccc(F)cc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000024286604 557143284 /nfs/dbraw/zinc/14/32/84/557143284.db2.gz ZNTTUTWNMDLSKY-UHFFFAOYSA-N 0 0 430.501 3.914 50 0 IHAARN Cc1ccc(-n2ccnc2SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000011424784 557146267 /nfs/dbraw/zinc/14/62/67/557146267.db2.gz XJUHAJJTNPYUCF-UHFFFAOYSA-N 0 0 449.580 3.958 50 0 IHAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(F)c1 ZINC000011424348 557146290 /nfs/dbraw/zinc/14/62/90/557146290.db2.gz GWOINITWIUDBGQ-UHFFFAOYSA-N 0 0 431.537 3.922 50 0 IHAARN O=C(NCc1ccccc1Cn1ccnc1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000024437701 557146965 /nfs/dbraw/zinc/14/69/65/557146965.db2.gz QQLRSCDRVJKKFW-UHFFFAOYSA-N 0 0 440.482 3.977 50 0 IHAARN CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000011438437 557147754 /nfs/dbraw/zinc/14/77/54/557147754.db2.gz FTVLBEODXTWIOP-UHFFFAOYSA-N 0 0 425.666 3.856 50 0 IHAARN CCOc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1 ZINC000024498180 557148698 /nfs/dbraw/zinc/14/86/98/557148698.db2.gz YPGDGUNBNKCNEG-UHFFFAOYSA-N 0 0 433.556 3.511 50 0 IHAARN O=C(CCNC(=O)NC1CCCCC1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000024500074 557148793 /nfs/dbraw/zinc/14/87/93/557148793.db2.gz UJCLWCXFNKJHHH-UHFFFAOYSA-N 0 0 441.601 3.662 50 0 IHAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n(C[C@@H]2CCCO2)c1C ZINC000024514145 557149686 /nfs/dbraw/zinc/14/96/86/557149686.db2.gz FBWLENZBCWSPSD-YOEHRIQHSA-N 0 0 428.558 3.535 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C ZINC000072288899 557150030 /nfs/dbraw/zinc/15/00/30/557150030.db2.gz IKYYCSWXQPEQTI-VLYLVFLISA-N 0 0 434.584 3.958 50 0 IHAARN Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)sc2cccc(F)c12 ZINC000011451453 557150162 /nfs/dbraw/zinc/15/01/62/557150162.db2.gz MQLRFCFFQJBAGD-UHFFFAOYSA-N 0 0 438.571 3.993 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000024538316 557150690 /nfs/dbraw/zinc/15/06/90/557150690.db2.gz ZOHJVYSTQXWYRC-FUHWJXTLSA-N 0 0 432.952 3.926 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1 ZINC000024575867 557151390 /nfs/dbraw/zinc/15/13/90/557151390.db2.gz HTZKVOYDAPREQL-IBGZPJMESA-N 0 0 441.959 3.550 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011464718 557151880 /nfs/dbraw/zinc/15/18/80/557151880.db2.gz SCUMMNOZKQSESL-UHFFFAOYSA-N 0 0 442.821 3.975 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000011497323 557153719 /nfs/dbraw/zinc/15/37/19/557153719.db2.gz OECNJNBTMKEXKT-UHFFFAOYSA-N 0 0 432.885 3.533 50 0 IHAARN C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000011498418 557154156 /nfs/dbraw/zinc/15/41/56/557154156.db2.gz NQNWFTAGCRGTFL-HNNXBMFYSA-N 0 0 425.510 3.972 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024613363 557155758 /nfs/dbraw/zinc/15/57/58/557155758.db2.gz OGBDCOQFIMDXPM-UHFFFAOYSA-N 0 0 438.952 3.646 50 0 IHAARN O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000024657716 557157680 /nfs/dbraw/zinc/15/76/80/557157680.db2.gz JXBOISNKLOXKML-VWLOTQADSA-N 0 0 440.547 3.972 50 0 IHAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709243 557159710 /nfs/dbraw/zinc/15/97/10/557159710.db2.gz KEHAACORCKCZOE-JOCHJYFZSA-N 0 0 431.492 3.893 50 0 IHAARN Cc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c(C)c12 ZINC000011535384 557160630 /nfs/dbraw/zinc/16/06/30/557160630.db2.gz FJWVDXZJEAMKNH-UHFFFAOYSA-N 0 0 445.523 3.988 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([S@@](=O)C(C)C)cc3)CC2)cc1F ZINC000072294500 557161028 /nfs/dbraw/zinc/16/10/28/557161028.db2.gz GYACFBLHKVVMQX-WJOKGBTCSA-N 0 0 444.572 3.819 50 0 IHAARN COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(C)c1 ZINC000095929361 557161974 /nfs/dbraw/zinc/16/19/74/557161974.db2.gz CDUQVQPFRWZPLR-HSZRJFAPSA-N 0 0 428.492 3.965 50 0 IHAARN COc1cc(OC)c(CCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c(OC)c1 ZINC000206773123 557162119 /nfs/dbraw/zinc/16/21/19/557162119.db2.gz OOWSCDUINMJTRK-MRXNPFEDSA-N 0 0 439.512 3.571 50 0 IHAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1OC ZINC000024753647 557162921 /nfs/dbraw/zinc/16/29/21/557162921.db2.gz RKIJDRLLTAWSCG-HNNXBMFYSA-N 0 0 426.332 3.992 50 0 IHAARN Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000024761145 557164267 /nfs/dbraw/zinc/16/42/67/557164267.db2.gz RWKXAFIOKMSLGV-UHFFFAOYSA-N 0 0 426.517 3.621 50 0 IHAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000206805883 557165284 /nfs/dbraw/zinc/16/52/84/557165284.db2.gz XGCFUAFTLZWRIB-IAQYHMDHSA-N 0 0 448.299 3.516 50 0 IHAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000206805838 557165356 /nfs/dbraw/zinc/16/53/56/557165356.db2.gz XGCFUAFTLZWRIB-ABAIWWIYSA-N 0 0 448.299 3.516 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000024837672 557166409 /nfs/dbraw/zinc/16/64/09/557166409.db2.gz WGLTVYPJYHFXRD-UHFFFAOYSA-N 0 0 433.917 3.844 50 0 IHAARN C[C@H]1CCc2nc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)sc2C1 ZINC000024775950 557166661 /nfs/dbraw/zinc/16/66/61/557166661.db2.gz QJRFIBFAFZRFFZ-LBPRGKRZSA-N 0 0 425.601 3.756 50 0 IHAARN O=S(=O)(c1ccccc1)N(C[C@@H](O)COc1ccccc1)c1nc2ccccc2s1 ZINC000024829597 557170147 /nfs/dbraw/zinc/17/01/47/557170147.db2.gz KBZVIPDOZFFCDH-QGZVFWFLSA-N 0 0 440.546 3.932 50 0 IHAARN COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(OC)c1OC ZINC000024834946 557171924 /nfs/dbraw/zinc/17/19/24/557171924.db2.gz OGRFXEWAZFADQY-QFIPXVFZSA-N 0 0 429.513 3.930 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000024835603 557171989 /nfs/dbraw/zinc/17/19/89/557171989.db2.gz ASEZDIJYOJUMFS-UHFFFAOYSA-N 0 0 439.522 3.785 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2Cl)cc1OCC ZINC000024836385 557172262 /nfs/dbraw/zinc/17/22/62/557172262.db2.gz HIONBIXBZFGOCP-UHFFFAOYSA-N 0 0 444.912 3.536 50 0 IHAARN Cc1cccc2c(=O)n(CC(=O)NCc3ccc(-c4nc5ccccc5s4)o3)cnc12 ZINC000024883798 557177022 /nfs/dbraw/zinc/17/70/22/557177022.db2.gz MMEVPHUCVUOWKS-UHFFFAOYSA-N 0 0 430.489 3.891 50 0 IHAARN COC(=O)c1occc1COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000024895533 557177347 /nfs/dbraw/zinc/17/73/47/557177347.db2.gz GHSWFXHWBXFGBU-CYBMUJFWSA-N 0 0 429.372 3.631 50 0 IHAARN O=C(NCc1nnc2n1CCCCC2)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000024925091 557179742 /nfs/dbraw/zinc/17/97/42/557179742.db2.gz CHNMSIWSFLSHKA-UHFFFAOYSA-N 0 0 426.524 3.846 50 0 IHAARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c(C)c1 ZINC000024978208 557184859 /nfs/dbraw/zinc/18/48/59/557184859.db2.gz PAUGQQWAQPMXFT-CYBMUJFWSA-N 0 0 430.921 3.761 50 0 IHAARN Cc1nnc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)s1 ZINC000009263893 557185165 /nfs/dbraw/zinc/18/51/65/557185165.db2.gz OXHPKQVAOKLMBS-UHFFFAOYSA-N 0 0 440.554 3.746 50 0 IHAARN Cc1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000024979183 557185232 /nfs/dbraw/zinc/18/52/32/557185232.db2.gz IKFJVPRDJRCWMB-QGZVFWFLSA-N 0 0 429.542 3.910 50 0 IHAARN CC[C@H](Sc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccccc1 ZINC000009302499 557185450 /nfs/dbraw/zinc/18/54/50/557185450.db2.gz MIYBOWCHVYBRFE-KSSFIOAISA-N 0 0 441.532 3.955 50 0 IHAARN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 ZINC000024984160 557185852 /nfs/dbraw/zinc/18/58/52/557185852.db2.gz VVPLGTPMXKUBNN-UHFFFAOYSA-N 0 0 438.553 3.694 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1nccn1-c1cc(C)cc(C)c1 ZINC000024989264 557187348 /nfs/dbraw/zinc/18/73/48/557187348.db2.gz UUDRXANBTIRIOB-UHFFFAOYSA-N 0 0 441.553 3.923 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc2c(cc1Br)OCCO2 ZINC000024991485 557187690 /nfs/dbraw/zinc/18/76/90/557187690.db2.gz VHWQQVSUTCMSMA-UHFFFAOYSA-N 0 0 435.318 3.690 50 0 IHAARN COc1cccc(C(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 ZINC000009582776 557190521 /nfs/dbraw/zinc/19/05/21/557190521.db2.gz BWFJZUYEMDXSQL-FQEVSTJZSA-N 0 0 438.553 3.926 50 0 IHAARN Cc1ccc(C(=O)[C@@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1 ZINC000025054312 557191736 /nfs/dbraw/zinc/19/17/36/557191736.db2.gz GLFKUYANOZCWQC-DEOSSOPVSA-N 0 0 433.508 3.555 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@H](C)C2 ZINC000025054323 557192171 /nfs/dbraw/zinc/19/21/71/557192171.db2.gz BUKJVRCGISGZLE-RYUDHWBXSA-N 0 0 448.516 3.955 50 0 IHAARN CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000096280282 557194025 /nfs/dbraw/zinc/19/40/25/557194025.db2.gz GPPDCANLJOQHIU-LJQANCHMSA-N 0 0 425.495 3.548 50 0 IHAARN CCN1c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC(C)(C)C1=O ZINC000010972093 557197341 /nfs/dbraw/zinc/19/73/41/557197341.db2.gz MMTDVXBYVWUYPE-UHFFFAOYSA-N 0 0 428.485 3.736 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(=O)N[C@@H](C)c1ccccc1 ZINC000096318020 557199097 /nfs/dbraw/zinc/19/90/97/557199097.db2.gz DMMLKGZTGFWWSN-KRWDZBQOSA-N 0 0 447.922 3.992 50 0 IHAARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000025191072 557199403 /nfs/dbraw/zinc/19/94/03/557199403.db2.gz JEWMYTZIRMIVJZ-UHFFFAOYSA-N 0 0 431.492 3.503 50 0 IHAARN CC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000025247920 557201195 /nfs/dbraw/zinc/20/11/95/557201195.db2.gz FRRCGOWOESOYFJ-UHFFFAOYSA-N 0 0 430.530 3.576 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)ccc12 ZINC000025319850 557203459 /nfs/dbraw/zinc/20/34/59/557203459.db2.gz KAVPMWJFJKUWIQ-UHFFFAOYSA-N 0 0 438.871 3.997 50 0 IHAARN O=C(COc1ccc(N2CCCC2=O)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000025320950 557203921 /nfs/dbraw/zinc/20/39/21/557203921.db2.gz PVRJFMTVBUQICF-UHFFFAOYSA-N 0 0 436.508 3.892 50 0 IHAARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)c2ccccc2)CC1 ZINC000011608050 557208094 /nfs/dbraw/zinc/20/80/94/557208094.db2.gz AHYJSGANPCKERH-UHFFFAOYSA-N 0 0 428.916 3.958 50 0 IHAARN CCCCN(CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025400248 557208240 /nfs/dbraw/zinc/20/82/40/557208240.db2.gz AHMDXPFSPCWQQP-UHFFFAOYSA-N 0 0 438.528 3.530 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025401674 557208273 /nfs/dbraw/zinc/20/82/73/557208273.db2.gz UBSHVRGKTIKWNV-HSZRJFAPSA-N 0 0 443.547 3.706 50 0 IHAARN COc1cc(Cl)ccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000169772270 557212127 /nfs/dbraw/zinc/21/21/27/557212127.db2.gz OHSHYBBWSJYUBQ-UHFFFAOYSA-N 0 0 428.842 3.865 50 0 IHAARN c1nc(SCc2ccccc2)nn1-c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000025496481 557212332 /nfs/dbraw/zinc/21/23/32/557212332.db2.gz JPNCHDDPBBUEHX-UHFFFAOYSA-N 0 0 436.589 3.725 50 0 IHAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1OC(F)(F)F ZINC000025534142 557213441 /nfs/dbraw/zinc/21/34/41/557213441.db2.gz JIQKHRGTJDWJKX-LLVKDONJSA-N 0 0 441.475 3.693 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(C)cc2Br)CC1 ZINC000170623932 557217482 /nfs/dbraw/zinc/21/74/82/557217482.db2.gz IHDGPNJTGIKPLQ-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000025670554 557221192 /nfs/dbraw/zinc/22/11/92/557221192.db2.gz SYHCIXCRWLWSNS-UHFFFAOYSA-N 0 0 427.523 3.804 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)C1CCCCC1 ZINC000010626992 557223999 /nfs/dbraw/zinc/22/39/99/557223999.db2.gz MQXIVLGPYIXOAL-UHFFFAOYSA-N 0 0 436.574 3.702 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)[C@@H]1CCCO1 ZINC000025807179 557227156 /nfs/dbraw/zinc/22/71/56/557227156.db2.gz MKPQUVSMFCBCGO-UNMCSNQZSA-N 0 0 436.508 3.943 50 0 IHAARN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000011135985 557227279 /nfs/dbraw/zinc/22/72/79/557227279.db2.gz MFBBCHOHPOUTHP-UHFFFAOYSA-N 0 0 434.448 3.752 50 0 IHAARN O=C(CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)N1CCC(c2ccccc2)=N1 ZINC000025843694 557228411 /nfs/dbraw/zinc/22/84/11/557228411.db2.gz PDOWMRUFKMOECW-UHFFFAOYSA-N 0 0 429.524 3.686 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccc(F)cc2)c1 ZINC000011440050 557229184 /nfs/dbraw/zinc/22/91/84/557229184.db2.gz BKRYXHREXLRZPE-UHFFFAOYSA-N 0 0 429.897 3.745 50 0 IHAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000025898330 557229494 /nfs/dbraw/zinc/22/94/94/557229494.db2.gz UCRFEGWXONIIFG-NRFANRHFSA-N 0 0 426.563 3.834 50 0 IHAARN Cn1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000025911955 557230002 /nfs/dbraw/zinc/23/00/02/557230002.db2.gz XWMYNJBHKUNEAX-UHFFFAOYSA-N 0 0 445.519 3.984 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)C(C)C ZINC000025922238 557230351 /nfs/dbraw/zinc/23/03/51/557230351.db2.gz MUVQHDZPKWRJIX-IBGZPJMESA-N 0 0 447.329 3.922 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cccc2ncccc21 ZINC000025948718 557230707 /nfs/dbraw/zinc/23/07/07/557230707.db2.gz FQTLRHRQZLZEPK-UHFFFAOYSA-N 0 0 430.430 3.941 50 0 IHAARN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000072255848 557231622 /nfs/dbraw/zinc/23/16/22/557231622.db2.gz HUVSHTUSLOKTIF-VIFPVBQESA-N 0 0 443.227 3.958 50 0 IHAARN C[C@H](Sc1ncnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000011678466 557231851 /nfs/dbraw/zinc/23/18/51/557231851.db2.gz YLVFFHKGALOZIL-VIFPVBQESA-N 0 0 432.481 3.884 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(F)ccc3F)n2)cc1OC ZINC000011693369 557232204 /nfs/dbraw/zinc/23/22/04/557232204.db2.gz VPHQXIRXJSUXMD-UHFFFAOYSA-N 0 0 429.423 3.625 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 ZINC000026013256 557232261 /nfs/dbraw/zinc/23/22/61/557232261.db2.gz LJJZWDLUPBCJIK-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)c1Cl ZINC000026038769 557232540 /nfs/dbraw/zinc/23/25/40/557232540.db2.gz OKWQHIKLUZHGLY-UHFFFAOYSA-N 0 0 443.912 3.793 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCOc2ccccc2)C3=O)cc1 ZINC000011694104 557233093 /nfs/dbraw/zinc/23/30/93/557233093.db2.gz SNCKPQCJDCNYDV-UHFFFAOYSA-N 0 0 449.551 3.590 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)CCc4ccccc4OC)CC3)n[nH]2)cc1 ZINC000098212782 557236007 /nfs/dbraw/zinc/23/60/07/557236007.db2.gz FIUZRLGSRRRYSN-UHFFFAOYSA-N 0 0 434.540 3.812 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000026461420 557241981 /nfs/dbraw/zinc/24/19/81/557241981.db2.gz YYJCWEBBJSXGDC-ZUOKHONESA-N 0 0 437.514 3.714 50 0 IHAARN C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000026480914 557242316 /nfs/dbraw/zinc/24/23/16/557242316.db2.gz GJRJYKCLNHHVNY-DJCSNXPJSA-N 0 0 428.480 3.771 50 0 IHAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000026563011 557244778 /nfs/dbraw/zinc/24/47/78/557244778.db2.gz KYNWBGJMURNVHO-GOSISDBHSA-N 0 0 426.948 3.933 50 0 IHAARN CCCNc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 ZINC000026618051 557245508 /nfs/dbraw/zinc/24/55/08/557245508.db2.gz BZRHKDHHRXSFNE-HNNXBMFYSA-N 0 0 434.587 3.977 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000100199365 557246999 /nfs/dbraw/zinc/24/69/99/557246999.db2.gz ZQLRBDFBTJEEDC-FQEVSTJZSA-N 0 0 432.351 3.752 50 0 IHAARN CCOC(=O)c1c(C)oc2ncn(C[C@@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c21 ZINC000026698846 557247075 /nfs/dbraw/zinc/24/70/75/557247075.db2.gz IUGFZCMQXRSDIM-MRXNPFEDSA-N 0 0 445.475 3.644 50 0 IHAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 ZINC000604404777 557247740 /nfs/dbraw/zinc/24/77/40/557247740.db2.gz RRLBNDVYKRUYHB-NXMSCROESA-N 0 0 426.520 3.770 50 0 biogenic IHAARN CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)cc4OC)c(=O)n3n2)cc1 ZINC000026779645 557248530 /nfs/dbraw/zinc/24/85/30/557248530.db2.gz JOEHLUBSYUWTBE-DEDYPNTBSA-N 0 0 437.521 3.562 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)cs2)cc1 ZINC000026870023 557249704 /nfs/dbraw/zinc/24/97/04/557249704.db2.gz JLFFCRIMPZVROP-FQEVSTJZSA-N 0 0 437.521 3.527 50 0 IHAARN CNC(=O)c1ccc(CN(C(=O)Cn2c3ccccc3nc2SC(F)F)C2CC2)cc1 ZINC000026900166 557250459 /nfs/dbraw/zinc/25/04/59/557250459.db2.gz DPRKGFATICOJKP-UHFFFAOYSA-N 0 0 444.507 3.902 50 0 IHAARN CCCCCOc1ccccc1/C=c1\sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O ZINC000026896345 557250509 /nfs/dbraw/zinc/25/05/09/557250509.db2.gz YIHDOGDQAFDBOB-RUAJRXAUSA-N 0 0 449.532 3.780 50 0 IHAARN CCCCNC(=O)C1CCN(C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 ZINC000026984785 557253098 /nfs/dbraw/zinc/25/30/98/557253098.db2.gz ZWYCTRXQJMGKQN-UHFFFAOYSA-N 0 0 439.585 3.774 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000018230198 557253419 /nfs/dbraw/zinc/25/34/19/557253419.db2.gz GHYUXSGNBFGVKH-UHFFFAOYSA-N 0 0 427.888 3.925 50 0 IHAARN CCNC(=O)c1c(N[C@@H](NC(=O)OCC)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000027017121 557253885 /nfs/dbraw/zinc/25/38/85/557253885.db2.gz AXMNZUNSBZUWMT-IBGZPJMESA-N 0 0 429.542 3.744 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2OC)cc1 ZINC000027016794 557253960 /nfs/dbraw/zinc/25/39/60/557253960.db2.gz NQWGJKFVEALLCW-OAQYLSRUSA-N 0 0 445.475 3.700 50 0 IHAARN Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000018246785 557254065 /nfs/dbraw/zinc/25/40/65/557254065.db2.gz ZCSOHTBUGBVCLK-QHCPKHFHSA-N 0 0 437.540 3.532 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000000813770 557254952 /nfs/dbraw/zinc/25/49/52/557254952.db2.gz KNXHOZVUSBBFSM-ZDUSSCGKSA-N 0 0 435.981 3.501 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c2ccccc2nc(=O)n1C[C@@H]1CCCO1 ZINC000101113784 557256372 /nfs/dbraw/zinc/25/63/72/557256372.db2.gz CMMPFKKEKADNSP-PSNMVERHSA-N 0 0 433.295 3.948 50 0 IHAARN COc1ccc(Oc2cc(NC(=O)c3nn(C)c(=O)c4ccccc43)ccc2OC)cc1 ZINC000027182192 557258522 /nfs/dbraw/zinc/25/85/22/557258522.db2.gz WQIXXGZGKRYLDM-UHFFFAOYSA-N 0 0 431.448 3.995 50 0 IHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@@H]2c1cc(Cl)ccc1Cl ZINC000100415261 557260157 /nfs/dbraw/zinc/26/01/57/557260157.db2.gz RYHHLDNNRPQMFE-HNNXBMFYSA-N 0 0 440.286 3.940 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)c1 ZINC000027371171 557261319 /nfs/dbraw/zinc/26/13/19/557261319.db2.gz BKGDCIZIRIGTJD-MRXNPFEDSA-N 0 0 428.514 3.548 50 0 IHAARN COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F ZINC000027541876 557264791 /nfs/dbraw/zinc/26/47/91/557264791.db2.gz HNMIHFZXSTXRKC-HNNXBMFYSA-N 0 0 439.453 3.998 50 0 IHAARN CCOc1ccc(-c2nc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)cs2)cc1 ZINC000027556108 557265073 /nfs/dbraw/zinc/26/50/73/557265073.db2.gz CWAQOFBSSRQZJF-AWEZNQCLSA-N 0 0 429.567 3.807 50 0 IHAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000027667182 557270903 /nfs/dbraw/zinc/27/09/03/557270903.db2.gz IXAGQYANRMIASY-FQEVSTJZSA-N 0 0 448.592 3.972 50 0 IHAARN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101203833 557284700 /nfs/dbraw/zinc/28/47/00/557284700.db2.gz YOZPXADXKLIWKS-SQNIBIBYSA-N 0 0 435.833 3.894 50 0 IHAARN CN(C(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1)C1CCCCC1 ZINC000014023307 557284742 /nfs/dbraw/zinc/28/47/42/557284742.db2.gz QSNROZLKVKQOBB-UHFFFAOYSA-N 0 0 444.553 3.636 50 0 IHAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000023323203 557285343 /nfs/dbraw/zinc/28/53/43/557285343.db2.gz NGYMFIQMOSETIL-IBGZPJMESA-N 0 0 432.524 3.658 50 0 IHAARN COc1cccc(CNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1OC ZINC000072306931 557296016 /nfs/dbraw/zinc/29/60/16/557296016.db2.gz NGUFQSITFKIYOD-IBGZPJMESA-N 0 0 433.346 3.920 50 0 IHAARN C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000013113106 557296337 /nfs/dbraw/zinc/29/63/37/557296337.db2.gz MRBNTRMQHFRSKC-MSOLQXFVSA-N 0 0 437.565 3.529 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1c(C)nc2[nH]c(NCc3ccccc3)nn2c1=O ZINC000101834517 557301391 /nfs/dbraw/zinc/30/13/91/557301391.db2.gz HDFYVFGUGDPECW-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(F)cc1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000023136709 557306109 /nfs/dbraw/zinc/30/61/09/557306109.db2.gz QAGDVFIBOVMLDW-OAHLLOKOSA-N 0 0 431.489 3.507 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102745940 557307158 /nfs/dbraw/zinc/30/71/58/557307158.db2.gz WCWZRGSCUUMQJX-NRFANRHFSA-N 0 0 441.553 3.750 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000102127780 557312902 /nfs/dbraw/zinc/31/29/02/557312902.db2.gz VSOLFFLYFKYGJG-NHCUHLMSSA-N 0 0 446.588 3.589 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000014167613 557312994 /nfs/dbraw/zinc/31/29/94/557312994.db2.gz NZJFVXUOZCGSDG-FQEVSTJZSA-N 0 0 441.557 3.508 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000014179849 557313865 /nfs/dbraw/zinc/31/38/65/557313865.db2.gz YXKNKUKIQXMMMA-SFHVURJKSA-N 0 0 437.359 3.939 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 ZINC000014200209 557317299 /nfs/dbraw/zinc/31/72/99/557317299.db2.gz LJNVHHRBMLOEFL-UHFFFAOYSA-N 0 0 436.580 3.629 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000102288917 557317495 /nfs/dbraw/zinc/31/74/95/557317495.db2.gz XZQOPEOFLHTPHE-PMACEKPBSA-N 0 0 432.586 3.623 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102338695 557319297 /nfs/dbraw/zinc/31/92/97/557319297.db2.gz SDEZFJPLCKCJJP-PMACEKPBSA-N 0 0 440.565 3.851 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccc(F)cc1 ZINC000032987164 557321578 /nfs/dbraw/zinc/32/15/78/557321578.db2.gz QLEKDUILRXWQFL-UHFFFAOYSA-N 0 0 434.493 3.618 50 0 IHAARN Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)NCCC(C)C)CC2)cc1 ZINC000033139754 557325800 /nfs/dbraw/zinc/32/58/00/557325800.db2.gz RLPNIBIDLUQVIG-UHFFFAOYSA-N 0 0 434.588 3.780 50 0 IHAARN Cc1ccccc1NC(=O)N(C)CCc1noc(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000033273367 557328847 /nfs/dbraw/zinc/32/88/47/557328847.db2.gz RDEXRXUEENWHKT-UHFFFAOYSA-N 0 0 427.892 3.668 50 0 IHAARN CC(C)CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2C1=O ZINC000014241600 557329191 /nfs/dbraw/zinc/32/91/91/557329191.db2.gz FVQUWHYMPYKKCY-IBGZPJMESA-N 0 0 447.535 3.820 50 0 IHAARN Cc1ccc(C)c(OC[C@H](O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c1C ZINC000014251382 557330440 /nfs/dbraw/zinc/33/04/40/557330440.db2.gz WYJPLNGKDZNJIF-HNNXBMFYSA-N 0 0 430.595 3.941 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCc3c(c(COCc4ccc(C)cc4)nn3C)C2)c1 ZINC000033282685 557331820 /nfs/dbraw/zinc/33/18/20/557331820.db2.gz DCZUIBKWDYGZKA-UHFFFAOYSA-N 0 0 435.524 3.661 50 0 IHAARN O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCCN(c2nc3ncccc3o2)CC1 ZINC000033324497 557332832 /nfs/dbraw/zinc/33/28/32/557332832.db2.gz YZVJSYSZKNTSEK-UHFFFAOYSA-N 0 0 430.468 3.503 50 0 IHAARN O=C(COc1ccccc1)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O ZINC000033469836 557335207 /nfs/dbraw/zinc/33/52/07/557335207.db2.gz WTTGMLFWUHVVER-SFQUDFHCSA-N 0 0 448.447 3.520 50 0 IHAARN COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccoc3C)C2=O)cc1OC ZINC000033670060 557344665 /nfs/dbraw/zinc/34/46/65/557344665.db2.gz BSQZCWNSFRYJHU-CPNJWEJPSA-N 0 0 431.448 3.580 50 0 IHAARN Nc1c(N(CCC2=CCCCC2)C(=O)C[C@@H]2C=CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000014633431 557345951 /nfs/dbraw/zinc/34/59/51/557345951.db2.gz VAYTZTZWUWPRJU-HXUWFJFHSA-N 0 0 448.567 3.747 50 0 IHAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccccc1CN1CCOCC1 ZINC000023882920 557376929 /nfs/dbraw/zinc/37/69/29/557376929.db2.gz FNDGWFRYDBFVAJ-UHFFFAOYSA-N 0 0 449.599 3.710 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)c(C)c1 ZINC000247883877 557390228 /nfs/dbraw/zinc/39/02/28/557390228.db2.gz SFGQGXXDKSJPDS-TXNPELCJSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)c1 ZINC000011694826 557392928 /nfs/dbraw/zinc/39/29/28/557392928.db2.gz FTMPJZDZMYJWJV-ZUSMLRIVSA-N 0 0 427.892 3.607 50 0 IHAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1 ZINC000011694690 557393000 /nfs/dbraw/zinc/39/30/00/557393000.db2.gz USMIMXNNOHNFQI-UHFFFAOYSA-N 0 0 439.946 3.876 50 0 IHAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n(C(C)C)n1 ZINC000011695187 557393217 /nfs/dbraw/zinc/39/32/17/557393217.db2.gz CAWWUCICJNNSSG-UHFFFAOYSA-N 0 0 426.542 3.845 50 0 IHAARN O=C(CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F ZINC000011695785 557393908 /nfs/dbraw/zinc/39/39/08/557393908.db2.gz ZSBXXGGARVAEJJ-UHFFFAOYSA-N 0 0 431.874 3.565 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(Cc2ccccc2)N[C@@H]3c2ccccc2)cc1 ZINC000102871069 557395502 /nfs/dbraw/zinc/39/55/02/557395502.db2.gz SOIABYWLHAPPRM-WXFUMESZSA-N 0 0 427.504 3.705 50 0 IHAARN CN(C)S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Cl)cc1 ZINC000033428910 557396723 /nfs/dbraw/zinc/39/67/23/557396723.db2.gz FFTQEORBHCDXLU-UHFFFAOYSA-N 0 0 441.340 3.852 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCC1 ZINC000013956654 557398462 /nfs/dbraw/zinc/39/84/62/557398462.db2.gz ZVRPEXOQRUXASJ-MRXNPFEDSA-N 0 0 429.590 3.635 50 0 IHAARN CN1c2ccccc2C(C)(C)[C@@]12CC(c1cccc(S(=O)(=O)N3CCCC3)c1)=NO2 ZINC000004871588 557399975 /nfs/dbraw/zinc/39/99/75/557399975.db2.gz VYSDLSSWHAOVRU-QHCPKHFHSA-N 0 0 425.554 3.719 50 0 aggregator IHAARN COCCCn1c(=N)c2cc(OC)c(OC)cc2nc1SCc1cccc(OC)c1 ZINC000100330706 557400230 /nfs/dbraw/zinc/40/02/30/557400230.db2.gz XASIJNMICADCGC-UHFFFAOYSA-N 0 0 429.542 3.870 50 0 IHAARN C[C@H](OC(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000033504118 557402460 /nfs/dbraw/zinc/40/24/60/557402460.db2.gz MGVPKEDLJJCVLC-JNWMYZIBSA-N 0 0 436.233 3.901 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1 ZINC000004910293 557403762 /nfs/dbraw/zinc/40/37/62/557403762.db2.gz GVIVSALYJRXKTG-QFIPXVFZSA-N 0 0 430.520 3.798 50 0 IHAARN O=C(COC(=O)c1c[nH]c2ccc(Br)cc12)N1CCC[C@H](C(F)(F)F)C1 ZINC000061061380 557409054 /nfs/dbraw/zinc/40/90/54/557409054.db2.gz MPSHQUGWCGONGJ-JTQLQIEISA-N 0 0 433.224 3.888 50 0 IHAARN COCCCn1c(C(=O)Nc2cc(C)ccc2OC)cc2c1nc1c(C)cccn1c2=O ZINC000033554565 557411044 /nfs/dbraw/zinc/41/10/44/557411044.db2.gz WUCHPPURWDLEDZ-UHFFFAOYSA-N 0 0 434.496 3.563 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000103029449 557416646 /nfs/dbraw/zinc/41/66/46/557416646.db2.gz UYUDDEFGNRZNAD-RTBURBONSA-N 0 0 435.549 3.969 50 0 IHAARN CCCNC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)c2ccccc2O1 ZINC000103425050 557437040 /nfs/dbraw/zinc/43/70/40/557437040.db2.gz XOPLEFXKOPWWSC-XUZZJYLKSA-N 0 0 449.576 3.748 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000103505248 557438095 /nfs/dbraw/zinc/43/80/95/557438095.db2.gz GDICJEDWBSWSJM-HHMKSANPSA-N 0 0 440.543 3.741 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)N(CCO)Cc1ccccc1)COC(C)(C)C2 ZINC000024545102 557442121 /nfs/dbraw/zinc/44/21/21/557442121.db2.gz ZEEMOQOZRJPTPW-UHFFFAOYSA-N 0 0 432.542 3.803 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000104086049 557449895 /nfs/dbraw/zinc/44/98/95/557449895.db2.gz GDICJEDWBSWSJM-GYPHRDCTSA-N 0 0 440.543 3.741 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000100090988 557454090 /nfs/dbraw/zinc/45/40/90/557454090.db2.gz ZTLSBLCLYFIIBS-KSZLIROESA-N 0 0 446.732 3.638 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCc4ccccc4)[C@@H]3C2)c1 ZINC000104915977 557464778 /nfs/dbraw/zinc/46/47/78/557464778.db2.gz FUGGKNAXBBYLOD-VPUSJEBWSA-N 0 0 441.575 3.922 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000051317305 557468635 /nfs/dbraw/zinc/46/86/35/557468635.db2.gz IUKMDHZCUPQVGD-UHFFFAOYSA-N 0 0 449.912 3.854 50 0 IHAARN CN(C)c1ccc(NS(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000105049434 557473995 /nfs/dbraw/zinc/47/39/95/557473995.db2.gz XHXIYZAGMVDEAN-ZWKOTPCHSA-N 0 0 429.464 3.500 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914487 557513789 /nfs/dbraw/zinc/51/37/89/557513789.db2.gz ITPSUGANTNQADQ-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)cc1 ZINC000106183716 557521554 /nfs/dbraw/zinc/52/15/54/557521554.db2.gz QBHFPDIZTXWYSJ-IAGOWNOFSA-N 0 0 446.598 3.858 50 0 IHAARN O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817629 557522600 /nfs/dbraw/zinc/52/26/00/557522600.db2.gz RFMJRWIOWZQVRV-LJQANCHMSA-N 0 0 444.447 3.517 50 0 IHAARN O=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000025183830 557529019 /nfs/dbraw/zinc/52/90/19/557529019.db2.gz FQSHIKXYRKFKPQ-UHFFFAOYSA-N 0 0 448.980 3.608 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(OC)cc3)C2)no1 ZINC000106893477 557532913 /nfs/dbraw/zinc/53/29/13/557532913.db2.gz DZKLWLAVGSBTFT-SJLPKXTDSA-N 0 0 435.528 3.796 50 0 IHAARN COc1ccccc1C1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000211092863 557533879 /nfs/dbraw/zinc/53/38/79/557533879.db2.gz GGTBCWMCQCIFTF-UHFFFAOYSA-N 0 0 445.459 3.621 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 ZINC000044097033 557534739 /nfs/dbraw/zinc/53/47/39/557534739.db2.gz PORYGIXYNJVNRE-UHFFFAOYSA-N 0 0 437.809 3.766 50 0 IHAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Br)c1=O ZINC000044840881 557539286 /nfs/dbraw/zinc/53/92/86/557539286.db2.gz TYSAMIRTOJVJBF-CQSZACIVSA-N 0 0 444.329 3.844 50 0 IHAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000044840248 557539347 /nfs/dbraw/zinc/53/93/47/557539347.db2.gz QQXHUUYKCXCRLL-CYBMUJFWSA-N 0 0 430.302 3.535 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2F)cc1 ZINC000044920761 557540903 /nfs/dbraw/zinc/54/09/03/557540903.db2.gz DSNURIXGSFBRCU-UHFFFAOYSA-N 0 0 429.498 3.790 50 0 IHAARN COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1OC ZINC000045702732 557545429 /nfs/dbraw/zinc/54/54/29/557545429.db2.gz QJZVZHBAIRAQSB-MAUKXSAKSA-N 0 0 430.932 3.626 50 0 IHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000045899460 557546192 /nfs/dbraw/zinc/54/61/92/557546192.db2.gz KBTKHZWRMZBXHE-UHFFFAOYSA-N 0 0 441.531 3.578 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC(C)C)cc2)c1=O ZINC000045899226 557546234 /nfs/dbraw/zinc/54/62/34/557546234.db2.gz UMJUHEVRPNKXHO-UHFFFAOYSA-N 0 0 441.531 3.576 50 0 IHAARN COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000005753740 557547085 /nfs/dbraw/zinc/54/70/85/557547085.db2.gz KKZATDPOLLCYPZ-NRFANRHFSA-N 0 0 425.485 3.596 50 0 IHAARN NC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943218 557552336 /nfs/dbraw/zinc/55/23/36/557552336.db2.gz IAUGAQAVJNDGGH-UHFFFAOYSA-N 0 0 432.299 3.934 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1cccc(Cl)c1)C(=O)CS2 ZINC000045960752 557554601 /nfs/dbraw/zinc/55/46/01/557554601.db2.gz KETWXDOUULGCFB-UHFFFAOYSA-N 0 0 445.972 3.577 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(=O)oc2c1 ZINC000040017427 557678929 /nfs/dbraw/zinc/67/89/29/557678929.db2.gz IURHPPQFPHAVDP-GOSISDBHSA-N 0 0 448.519 3.920 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2oc3c(c2C)C(=O)CCC3)cc1OCC ZINC000040129718 557697802 /nfs/dbraw/zinc/69/78/02/557697802.db2.gz VNIPDIMEXXICLO-UHFFFAOYSA-N 0 0 428.485 3.615 50 0 IHAARN O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000040152469 557704347 /nfs/dbraw/zinc/70/43/47/557704347.db2.gz CRTVCJSOICDKOC-INIZCTEOSA-N 0 0 429.473 3.520 50 0 IHAARN COCCCN1Cc2cccc(NS(=O)(=O)Cc3cccc(Br)c3)c2C1 ZINC000225400280 557718457 /nfs/dbraw/zinc/71/84/57/557718457.db2.gz SSCQXKYAUSAAHM-UHFFFAOYSA-N 0 0 439.375 3.743 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)cc12 ZINC000225442327 557723203 /nfs/dbraw/zinc/72/32/03/557723203.db2.gz BIZQSWZVWNCHPZ-RCDICMHDSA-N 0 0 429.517 3.614 50 0 IHAARN O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000225444613 557723517 /nfs/dbraw/zinc/72/35/17/557723517.db2.gz ZYONWDKAAUFBIP-HNNXBMFYSA-N 0 0 430.220 3.866 50 0 IHAARN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000225444650 557723567 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Cc1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C(=O)Nc1ccccc1Br ZINC000227156045 557812631 /nfs/dbraw/zinc/81/26/31/557812631.db2.gz UDSWNLQQMASHQR-GFCCVEGCSA-N 0 0 448.342 3.960 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000000846200 557829105 /nfs/dbraw/zinc/82/91/05/557829105.db2.gz YARUPLLRZRBPCJ-QFIPXVFZSA-N 0 0 449.507 3.611 50 0 IHAARN Cn1c2nc(Sc3ccccc3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000000851292 557830815 /nfs/dbraw/zinc/83/08/15/557830815.db2.gz ODCPRRLLZVUONK-UHFFFAOYSA-N 0 0 447.347 3.940 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000229640475 557832752 /nfs/dbraw/zinc/83/27/52/557832752.db2.gz SPKUQJMVPBZLSA-STXHMFSFSA-N 0 0 428.579 3.849 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C)N1CCOCC1 ZINC000229831838 557833323 /nfs/dbraw/zinc/83/33/23/557833323.db2.gz GGHXKRDKCXAJAU-MPCDZSKCSA-N 0 0 444.620 3.736 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000000869842 557840834 /nfs/dbraw/zinc/84/08/34/557840834.db2.gz ZYHMMZKXEPBCHZ-UHFFFAOYSA-N 0 0 443.447 3.779 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000239351913 557844309 /nfs/dbraw/zinc/84/43/09/557844309.db2.gz AAMMBBSCMOHWGA-PZPFTHLGSA-N 0 0 429.561 3.728 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000239351914 557844319 /nfs/dbraw/zinc/84/43/19/557844319.db2.gz AAMMBBSCMOHWGA-RDBAUFEQSA-N 0 0 429.561 3.728 50 0 IHAARN COc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000877194 557848403 /nfs/dbraw/zinc/84/84/03/557848403.db2.gz MIYXDGXOXDXLQP-NJNPRVFISA-N 0 0 428.554 3.504 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000136938201 557848441 /nfs/dbraw/zinc/84/84/41/557848441.db2.gz ZTLSBLCLYFIIBS-OKZBNKHCSA-N 0 0 446.732 3.638 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cnc12 ZINC000025062069 557862558 /nfs/dbraw/zinc/86/25/58/557862558.db2.gz LFVVPQFWULWZKI-UHFFFAOYSA-N 0 0 442.523 3.719 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000921458 560180029 /nfs/dbraw/zinc/18/00/29/560180029.db2.gz RGYQVFLEJPGKKC-QHCPKHFHSA-N 0 0 436.533 3.758 50 0 biogenic,in-vitro IHAARN Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)COc2ccccc2C)c2ccccc2)cc1 ZINC000002250897 562926659 /nfs/dbraw/zinc/92/66/59/562926659.db2.gz NQMLVCYHYURMMV-AREMUKBSSA-N 0 0 431.488 3.966 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002290343 562926796 /nfs/dbraw/zinc/92/67/96/562926796.db2.gz ZSSUVBRNIFWDQX-UHFFFAOYSA-N 0 0 437.459 3.815 50 0 aggregator IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2Cc2ccccc2)c1 ZINC000002625202 562928681 /nfs/dbraw/zinc/92/86/81/562928681.db2.gz FEABXFDWPBAQMQ-INIZCTEOSA-N 0 0 437.569 3.882 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)c1 ZINC000002627854 562928731 /nfs/dbraw/zinc/92/87/31/562928731.db2.gz YECKBYOABQDXET-UHFFFAOYSA-N 0 0 432.523 3.599 50 0 IHAARN O=S1(=O)C[C@H]2N=C(N(Cc3ccc(F)cc3Cl)c3ccccc3F)S[C@@H]2C1 ZINC000002698796 562929838 /nfs/dbraw/zinc/92/98/38/562929838.db2.gz MNAGRIWQWCHDEM-NVXWUHKLSA-N 0 0 428.913 3.893 50 0 IHAARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(C(=O)OC)cc1 ZINC000002976782 562931403 /nfs/dbraw/zinc/93/14/03/562931403.db2.gz KHNOGLRWCOJTBC-HXUWFJFHSA-N 0 0 427.497 3.795 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)NCc2ccc(C)cc2)c1 ZINC000003044353 562932161 /nfs/dbraw/zinc/93/21/61/562932161.db2.gz DPHHYENCLKKWQW-UHFFFAOYSA-N 0 0 429.476 3.705 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000003048373 562932280 /nfs/dbraw/zinc/93/22/80/562932280.db2.gz HCVALNOVDFWEML-UHFFFAOYSA-N 0 0 434.901 3.668 50 0 IHAARN O=C(COC(=O)Cc1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003233323 562933098 /nfs/dbraw/zinc/93/30/98/562933098.db2.gz ALEMTSYRWWPXQA-UHFFFAOYSA-N 0 0 438.146 3.869 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003285482 562933694 /nfs/dbraw/zinc/93/36/94/562933694.db2.gz XKBZESWEBYPURN-HNNXBMFYSA-N 0 0 438.436 3.783 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1C[C@H]1CCCO1 ZINC000003492925 562936278 /nfs/dbraw/zinc/93/62/78/562936278.db2.gz GIXHWKYBMULRCW-QGZVFWFLSA-N 0 0 431.949 3.888 50 0 aggregator IHAARN CCOC(=O)[C@](O)(c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003639386 562937138 /nfs/dbraw/zinc/93/71/38/562937138.db2.gz FNQMOBGENWIGGW-LJQANCHMSA-N 0 0 445.459 3.523 50 0 IHAARN COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1 ZINC000006577671 562947803 /nfs/dbraw/zinc/94/78/03/562947803.db2.gz PASLVDANCAJCEE-UHFFFAOYSA-N 0 0 444.509 3.529 50 0 IHAARN COCCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000006914194 562948510 /nfs/dbraw/zinc/94/85/10/562948510.db2.gz BIEYEXJBBQRMJJ-UHFFFAOYSA-N 0 0 425.554 3.697 50 0 IHAARN Cc1ccccc1CSCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008587423 562950273 /nfs/dbraw/zinc/95/02/73/562950273.db2.gz WTXQBPDLQVWOSH-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)O[C@H](C)C3)cc1 ZINC000008590227 562951543 /nfs/dbraw/zinc/95/15/43/562951543.db2.gz ICENXWSXIJRVQI-GFCCVEGCSA-N 0 0 426.856 3.865 50 0 IHAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000008590584 562951790 /nfs/dbraw/zinc/95/17/90/562951790.db2.gz RTPRJIBXELWHDF-UHFFFAOYSA-N 0 0 431.945 3.959 50 0 IHAARN C[C@H](CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000008593809 562952836 /nfs/dbraw/zinc/95/28/36/562952836.db2.gz ANEASNUCFUZTOE-LJQANCHMSA-N 0 0 439.581 3.736 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000008597204 562954001 /nfs/dbraw/zinc/95/40/01/562954001.db2.gz WUDKNQGLEDNTEY-UHFFFAOYSA-N 0 0 448.338 3.989 50 0 IHAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2cccc(F)c2)CC1 ZINC000008598664 562954376 /nfs/dbraw/zinc/95/43/76/562954376.db2.gz FOSNDSHTOVVOGS-UHFFFAOYSA-N 0 0 449.530 3.811 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1OC ZINC000008600332 562955035 /nfs/dbraw/zinc/95/50/35/562955035.db2.gz AFKMRFHNVFNPNP-UHFFFAOYSA-N 0 0 446.525 3.505 50 0 IHAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2ccccc2Cl)nc2cccnc21 ZINC000008600385 562955068 /nfs/dbraw/zinc/95/50/68/562955068.db2.gz YNIBVEMVUGESNM-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)c1 ZINC000008601208 562955245 /nfs/dbraw/zinc/95/52/45/562955245.db2.gz IKJWYJBBEIMINI-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)cc4C)n3n2)c1 ZINC000008601523 562955434 /nfs/dbraw/zinc/95/54/34/562955434.db2.gz KGPDJSNEEBRRED-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)c(C)c1 ZINC000008601796 562955675 /nfs/dbraw/zinc/95/56/75/562955675.db2.gz NAGJXELCPYDXAO-UHFFFAOYSA-N 0 0 434.565 3.831 50 0 IHAARN COc1cc(OC)cc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000008609315 562957776 /nfs/dbraw/zinc/95/77/76/562957776.db2.gz QHMBCIUXMQDLCY-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN COc1ccc(Cc2nc3c4cnn(-c5ccccc5Br)c4ncn3n2)cc1 ZINC000008611999 562958827 /nfs/dbraw/zinc/95/88/27/562958827.db2.gz UDQLUXSIEHHBTN-UHFFFAOYSA-N 0 0 435.285 3.825 50 0 IHAARN COc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c(OC)cc3oc2=O)cc1OC ZINC000008612585 562959252 /nfs/dbraw/zinc/95/92/52/562959252.db2.gz WXCCKJPNQTZFSS-UHFFFAOYSA-N 0 0 431.872 3.640 50 0 IHAARN CCOC(=O)c1ccc2[nH]c(CSc3nnc(-c4cccc(F)c4)n3C)cc(=O)c2c1 ZINC000008617301 562959763 /nfs/dbraw/zinc/95/97/63/562959763.db2.gz TXGVMXSMDADTDV-UHFFFAOYSA-N 0 0 438.484 3.932 50 0 IHAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000008619214 562959853 /nfs/dbraw/zinc/95/98/53/562959853.db2.gz BRCGLTYYVZIHQA-UHFFFAOYSA-N 0 0 448.444 3.918 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3cc(Cl)ccc3n2)s1)c1cccc(F)c1 ZINC000008619602 562959931 /nfs/dbraw/zinc/95/99/31/562959931.db2.gz QASDFNYVDDXQRB-UHFFFAOYSA-N 0 0 447.904 3.883 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000008619651 562959958 /nfs/dbraw/zinc/95/99/58/562959958.db2.gz PCUFFLMEFZEQTM-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc(-c2nc(CSCC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 ZINC000008671784 562960985 /nfs/dbraw/zinc/96/09/85/562960985.db2.gz GHCPQRLVVSVPHL-UHFFFAOYSA-N 0 0 426.494 3.937 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)cc1 ZINC000008673546 562961232 /nfs/dbraw/zinc/96/12/32/562961232.db2.gz PFJINDAEWPFQHM-UHFFFAOYSA-N 0 0 433.559 3.926 50 0 IHAARN O=S1(=O)C[C@@H]2N=C(N(Cc3c(F)cccc3Cl)c3ccccc3F)S[C@@H]2C1 ZINC000008685129 562962315 /nfs/dbraw/zinc/96/23/15/562962315.db2.gz DEVCPJJPBHURQL-DOTOQJQBSA-N 0 0 428.913 3.893 50 0 IHAARN CCN(CC)c1ccc(NC(=O)C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000008691018 562963330 /nfs/dbraw/zinc/96/33/30/562963330.db2.gz PUHNSADTGAGTGY-UHFFFAOYSA-N 0 0 445.560 3.940 50 0 IHAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000008722361 562963822 /nfs/dbraw/zinc/96/38/22/562963822.db2.gz XZYQNPRZDUHCFV-GOSISDBHSA-N 0 0 447.513 3.717 50 0 IHAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCCN4CCCC4=O)c(=O)oc3c2C)c1C ZINC000008789948 562964112 /nfs/dbraw/zinc/96/41/12/562964112.db2.gz QUMQGUKQKPMFHH-UHFFFAOYSA-N 0 0 438.524 3.834 50 0 biogenic IHAARN O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1 ZINC000008822705 562964430 /nfs/dbraw/zinc/96/44/30/562964430.db2.gz RDORAWTWYKNYKN-UHFFFAOYSA-N 0 0 438.456 3.616 50 0 IHAARN Cc1cccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)c1 ZINC000008830451 562964775 /nfs/dbraw/zinc/96/47/75/562964775.db2.gz WQKACSWDVZSCFK-UHFFFAOYSA-N 0 0 443.506 3.660 50 0 IHAARN COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccccc1F)C2 ZINC000009228931 562968373 /nfs/dbraw/zinc/96/83/73/562968373.db2.gz TUIRCACGBZVQEV-UHFFFAOYSA-N 0 0 435.455 3.965 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000009507157 562972488 /nfs/dbraw/zinc/97/24/88/562972488.db2.gz HOCINNMBZXIEMC-HXUWFJFHSA-N 0 0 432.542 3.527 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000009673330 562975237 /nfs/dbraw/zinc/97/52/37/562975237.db2.gz KVBBYHPAYRZSOB-SFTDATJTSA-N 0 0 440.590 3.832 50 0 IHAARN CN(Cc1cccnc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000009713976 562975815 /nfs/dbraw/zinc/97/58/15/562975815.db2.gz JOZILPGZAQYBBU-UHFFFAOYSA-N 0 0 433.892 3.947 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1OC ZINC000009827893 562977237 /nfs/dbraw/zinc/97/72/37/562977237.db2.gz BQKJZUHMJGWBHC-UHFFFAOYSA-N 0 0 426.450 3.863 50 0 IHAARN CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337350 562978618 /nfs/dbraw/zinc/97/86/18/562978618.db2.gz DNWFAYPREILVDY-UHFFFAOYSA-N 0 0 444.003 3.623 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3Cc4cc(-c5cnccn5)ccc4O3)cc2)n1 ZINC000011978342 562980064 /nfs/dbraw/zinc/98/00/64/562980064.db2.gz QOMNQYBBKFNVGI-QFIPXVFZSA-N 0 0 425.492 3.680 50 0 IHAARN O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012027105 562980376 /nfs/dbraw/zinc/98/03/76/562980376.db2.gz POXNRYHFHIMNAJ-SFHVURJKSA-N 0 0 436.449 3.985 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)C[C@H](C)O1 ZINC000012948692 562983590 /nfs/dbraw/zinc/98/35/90/562983590.db2.gz SPRHWVJCQMBKBB-HOTGVXAUSA-N 0 0 440.993 3.758 50 0 IHAARN COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@H]1CCCO1 ZINC000013152704 562985521 /nfs/dbraw/zinc/98/55/21/562985521.db2.gz XTOAWMVAZOOIGP-IEQXMEILSA-N 0 0 437.521 3.968 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000013154884 562985563 /nfs/dbraw/zinc/98/55/63/562985563.db2.gz ALLMJLPXYLHGGR-BGYRXZFFSA-N 0 0 442.581 3.938 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)C3=CSCCO3)C[C@@H]2C)c1 ZINC000015942589 563019653 /nfs/dbraw/zinc/01/96/53/563019653.db2.gz UBIURSYLNRJNDN-SFHVURJKSA-N 0 0 437.565 3.889 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1cccc(F)c1)nc2C ZINC000015942943 563019774 /nfs/dbraw/zinc/01/97/74/563019774.db2.gz WILRLJJYRYJYQN-UHFFFAOYSA-N 0 0 447.514 3.743 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCC(C)CC3)c(C)o2)cc1OC ZINC000015944351 563020276 /nfs/dbraw/zinc/02/02/76/563020276.db2.gz FEFZZUMXQVUUJV-KJYPBKGBSA-N 0 0 434.558 3.611 50 0 IHAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)on1 ZINC000036383430 563094196 /nfs/dbraw/zinc/09/41/96/563094196.db2.gz XPSFDKNRXVAPLK-UHFFFAOYSA-N 0 0 426.542 3.679 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000056946345 563142948 /nfs/dbraw/zinc/14/29/48/563142948.db2.gz VSKOAULWADDVPZ-JOCHJYFZSA-N 0 0 443.544 3.569 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 ZINC000058012554 563143312 /nfs/dbraw/zinc/14/33/12/563143312.db2.gz HQOSKHNFITZBGB-HXUWFJFHSA-N 0 0 430.888 3.587 50 0 IHAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000044973652 568625435 /nfs/dbraw/zinc/62/54/35/568625435.db2.gz QKUVNSOPDOVMBI-GOSISDBHSA-N 0 0 435.505 3.772 50 0 IHAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000585150262 568627749 /nfs/dbraw/zinc/62/77/49/568627749.db2.gz ILCZFOYMVRBRAA-UHFFFAOYSA-N 0 0 441.491 3.693 50 0 IHAARN Cc1ccc(NC(=O)C2=C(Nc3ccc4c(c3)OCCO4)c3ccccc3S2(=O)=O)cc1 ZINC000015019223 568630209 /nfs/dbraw/zinc/63/02/09/568630209.db2.gz BGIOAPSDDOVCGM-UHFFFAOYSA-N 0 0 448.500 3.973 50 0 IHAARN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1S(N)(=O)=O ZINC000015026594 568632340 /nfs/dbraw/zinc/63/23/40/568632340.db2.gz RVKORULZHMCBCU-UHFFFAOYSA-N 0 0 438.534 3.809 50 0 IHAARN O=C(CCCNS(=O)(=O)c1cccc2nsnc21)Nc1ccc2ccccc2c1 ZINC000019077738 568638122 /nfs/dbraw/zinc/63/81/22/568638122.db2.gz UDDVPEJDLBUPEU-UHFFFAOYSA-N 0 0 426.523 3.542 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940695 568641690 /nfs/dbraw/zinc/64/16/90/568641690.db2.gz PBFONSBVHCJMIJ-MRXNPFEDSA-N 0 0 444.720 3.540 50 0 IHAARN COc1cc(CN(C)C(=O)CN2C(=O)COc3ccccc32)ccc1OCc1ccccc1 ZINC000025280798 568650805 /nfs/dbraw/zinc/65/08/05/568650805.db2.gz FXSYIXWLQBCYIE-UHFFFAOYSA-N 0 0 446.503 3.658 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000001019744 568651252 /nfs/dbraw/zinc/65/12/52/568651252.db2.gz VXAJHUMQKGRMFV-QZTJIDSGSA-N 0 0 444.597 3.648 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)c1C ZINC000025312453 568652858 /nfs/dbraw/zinc/65/28/58/568652858.db2.gz YYCLBKDGVKCYIA-UHFFFAOYSA-N 0 0 442.581 3.747 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)s2)cs1 ZINC000025322467 568653436 /nfs/dbraw/zinc/65/34/36/568653436.db2.gz XFHGBFMVCZJIRR-OAHLLOKOSA-N 0 0 429.567 3.984 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000001090460 568658642 /nfs/dbraw/zinc/65/86/42/568658642.db2.gz MGPRFFURVQETOW-DEOSSOPVSA-N 0 0 436.533 3.606 50 0 IHAARN COc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000001144234 568662390 /nfs/dbraw/zinc/66/23/90/568662390.db2.gz LJNRZNUINSENNG-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(OC(F)F)cc3)n2)cc1 ZINC000261490628 568734095 /nfs/dbraw/zinc/73/40/95/568734095.db2.gz QFYJWMPVHVAGSL-UHFFFAOYSA-N 0 0 430.411 3.996 50 0 IHAARN CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000031685349 568741640 /nfs/dbraw/zinc/74/16/40/568741640.db2.gz LIHREFUVUDLAFE-UHFFFAOYSA-N 0 0 428.495 3.564 50 0 IHAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1 ZINC000003249562 568743682 /nfs/dbraw/zinc/74/36/82/568743682.db2.gz XZRPVBGOCXARMJ-UHFFFAOYSA-N 0 0 443.550 3.886 50 0 IHAARN COc1cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc(OC)c1OC ZINC000003265764 568744243 /nfs/dbraw/zinc/74/42/43/568744243.db2.gz RUUUGKUHRHPIRE-UHFFFAOYSA-N 0 0 439.537 3.980 50 0 IHAARN O=C(c1ccccc1F)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000043962575 568744663 /nfs/dbraw/zinc/74/46/63/568744663.db2.gz ISFAZECOXXQJOX-UHFFFAOYSA-N 0 0 444.450 3.675 50 0 IHAARN COC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)NCc3ccc(OC)cc3)c2c1C ZINC000003309554 568745847 /nfs/dbraw/zinc/74/58/47/568745847.db2.gz QAAPNFMDXWZIPV-GFCCVEGCSA-N 0 0 445.566 3.900 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003319471 568746005 /nfs/dbraw/zinc/74/60/05/568746005.db2.gz ALYBOLRGUAPOFG-SNVBAGLBSA-N 0 0 446.784 3.798 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O ZINC000003339827 568746516 /nfs/dbraw/zinc/74/65/16/568746516.db2.gz ZEJMDXNCJHEYLZ-UHFFFAOYSA-N 0 0 441.553 3.871 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000044097990 568748380 /nfs/dbraw/zinc/74/83/80/568748380.db2.gz BBYBUGBEULCBIM-UHFFFAOYSA-N 0 0 438.919 3.694 50 0 IHAARN CCOc1cc(C(=O)N[C@H](C)C(=O)Nc2nc3ccccc3[nH]2)cc(OCC)c1OCC ZINC000044168896 568749142 /nfs/dbraw/zinc/74/91/42/568749142.db2.gz NAHNMDROIQNXMX-CQSZACIVSA-N 0 0 440.500 3.516 50 0 IHAARN O=C(NCCN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000044226883 568749994 /nfs/dbraw/zinc/74/99/94/568749994.db2.gz OCVXVNPLUNIVMH-UHFFFAOYSA-N 0 0 448.592 3.595 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000003595036 568751356 /nfs/dbraw/zinc/75/13/56/568751356.db2.gz RMXDAMJQTHTKMZ-HXUWFJFHSA-N 0 0 428.360 3.901 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1 ZINC000003582304 568751414 /nfs/dbraw/zinc/75/14/14/568751414.db2.gz ONQOORPVXNRJHB-UHFFFAOYSA-N 0 0 430.464 3.969 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614849 568751590 /nfs/dbraw/zinc/75/15/90/568751590.db2.gz USPHTITUESVSAY-QQRRWSATSA-N 0 0 444.443 3.653 50 0 IHAARN COC[C@@H](C)NC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000003645241 568752562 /nfs/dbraw/zinc/75/25/62/568752562.db2.gz KCSSNSKUZNWNJX-LLVKDONJSA-N 0 0 443.447 3.524 50 0 IHAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)[C@H]2CCC(=O)N2)CCCCC1 ZINC000003771326 568754615 /nfs/dbraw/zinc/75/46/15/568754615.db2.gz FAPJVTURQFBWLU-HXUWFJFHSA-N 0 0 437.540 3.845 50 0 IHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/75/76/41/568757641.db2.gz KERDHQROAZXCAJ-PKTZIBPZSA-N 0 0 446.551 3.908 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cn1 ZINC000059003001 568759846 /nfs/dbraw/zinc/75/98/46/568759846.db2.gz DGKRXWIYALNGIS-HNNXBMFYSA-N 0 0 445.445 3.978 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(Br)cc4)c3CO2)cc1 ZINC000263617088 568777029 /nfs/dbraw/zinc/77/70/29/568777029.db2.gz MADBYCIUJLFAAX-QGZVFWFLSA-N 0 0 429.274 3.573 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Cl)cc2Cl)N2CCCN32)cc1 ZINC000248379325 568782335 /nfs/dbraw/zinc/78/23/35/568782335.db2.gz MNDQEJIRPBOIAS-SLFFLAALSA-N 0 0 446.334 3.928 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000083867813 568784118 /nfs/dbraw/zinc/78/41/18/568784118.db2.gz GCDIKJVTMBULKO-UHFFFAOYSA-N 0 0 439.356 3.735 50 0 IHAARN Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)C(S(=O)(=O)c1ccccc1)=C(N)O2 ZINC000001402112 568786742 /nfs/dbraw/zinc/78/67/42/568786742.db2.gz NLCGMDXGTBWFJT-KRWDZBQOSA-N 0 0 429.881 3.728 50 0 IHAARN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[S@@](=O)Cc1csc(Br)c1 ZINC000083967131 568787383 /nfs/dbraw/zinc/78/73/83/568787383.db2.gz BVNLKEHEZQEKCT-NPNATVITSA-N 0 0 428.373 3.788 50 0 IHAARN Cc1cc(=O)c(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC(C)(C)C)nn1-c1ccccc1F ZINC000084072161 568791507 /nfs/dbraw/zinc/79/15/07/568791507.db2.gz FPYBGTPWDCMIAN-HXUWFJFHSA-N 0 0 449.482 3.593 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccccc1OC ZINC000004781535 568792106 /nfs/dbraw/zinc/79/21/06/568792106.db2.gz KUJHEMGTCFQFDX-ICSRJNTNSA-N 0 0 428.529 3.737 50 0 IHAARN Cc1cc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O ZINC000084089961 568792338 /nfs/dbraw/zinc/79/23/38/568792338.db2.gz BYPOAPJTTFSVQL-QHCPKHFHSA-N 0 0 429.520 3.913 50 0 IHAARN CCOC(=O)c1c(N)nn(C(=O)c2ccc(Br)cc2)c1-c1ccc(OC)cc1 ZINC000001432907 568795153 /nfs/dbraw/zinc/79/51/53/568795153.db2.gz ZKKOBIIVVNEJSS-UHFFFAOYSA-N 0 0 444.285 3.769 50 0 IHAARN Cn1c(SCc2noc([C@@H]3COc4ccccc4O3)n2)nnc1-c1ccccc1F ZINC000084307040 568796961 /nfs/dbraw/zinc/79/69/61/568796961.db2.gz AYCALINEWCFNCR-INIZCTEOSA-N 0 0 425.445 3.809 50 0 IHAARN CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)cc1 ZINC000084509866 568798338 /nfs/dbraw/zinc/79/83/38/568798338.db2.gz KQGYEFKQUTZKHL-LJQANCHMSA-N 0 0 425.920 3.822 50 0 IHAARN O=C(Nc1ccc(O)c(C(=O)NCCCOCCc2ccccc2)c1)OCC(F)(F)F ZINC000084529192 568798429 /nfs/dbraw/zinc/79/84/29/568798429.db2.gz QXLMPOJTNRJBQR-UHFFFAOYSA-N 0 0 440.418 3.882 50 0 IHAARN Fc1ccc(OCc2noc(CN3CCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000084603645 568799247 /nfs/dbraw/zinc/79/92/47/568799247.db2.gz MBNPWJUBVATBGO-UHFFFAOYSA-N 0 0 425.489 3.720 50 0 IHAARN CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3ccn(CC(=O)NC)c3c1)O[C@H](C)C2 ZINC000084805184 568801481 /nfs/dbraw/zinc/80/14/81/568801481.db2.gz GDRAINAUOOONGS-IQIBNGDESA-N 0 0 433.508 3.761 50 0 IHAARN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1 ZINC000015669383 568801908 /nfs/dbraw/zinc/80/19/08/568801908.db2.gz PKVIXPWTLOOORB-UHFFFAOYSA-N 0 0 437.521 3.628 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)ccc1O ZINC000015670299 568802397 /nfs/dbraw/zinc/80/23/97/568802397.db2.gz PSKYNTIEWCXZGJ-QGZVFWFLSA-N 0 0 442.479 3.611 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)cc1 ZINC000015670495 568802505 /nfs/dbraw/zinc/80/25/05/568802505.db2.gz KMFUTDSOYJERAB-LJQANCHMSA-N 0 0 442.479 3.524 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@@H]1CCCO1 ZINC000015678091 568804529 /nfs/dbraw/zinc/80/45/29/568804529.db2.gz DBAFPVLXKPGLLO-UQBPGWFLSA-N 0 0 438.572 3.659 50 0 IHAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679365 568805240 /nfs/dbraw/zinc/80/52/40/568805240.db2.gz GMDOZAXQBDOBMI-UHFFFAOYSA-N 0 0 428.895 3.706 50 0 IHAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCc1ccccc1Cl)n2C ZINC000015681809 568806819 /nfs/dbraw/zinc/80/68/19/568806819.db2.gz BOZWFWBZFRCVHY-UHFFFAOYSA-N 0 0 425.916 3.940 50 0 IHAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000015721045 568811843 /nfs/dbraw/zinc/81/18/43/568811843.db2.gz GQDACLRCVQQURJ-NRFANRHFSA-N 0 0 432.451 3.958 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccc(OC)cc1 ZINC000005091108 568812628 /nfs/dbraw/zinc/81/26/28/568812628.db2.gz WBICTIBDGZJKQJ-PGRDOPGGSA-N 0 0 428.529 3.737 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012809332 568813860 /nfs/dbraw/zinc/81/38/60/568813860.db2.gz RZDKLNYCXVKROI-MCADVSAISA-N 0 0 437.584 3.669 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 ZINC000012809319 568813921 /nfs/dbraw/zinc/81/39/21/568813921.db2.gz FYSZAOZMVJGGLI-UHFFFAOYSA-N 0 0 431.536 3.807 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(C)cc3)ncc2S1(=O)=O ZINC000015731753 568814680 /nfs/dbraw/zinc/81/46/80/568814680.db2.gz HFNQWFYUMCOTJZ-UHFFFAOYSA-N 0 0 440.550 3.711 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3C)ncc2S1(=O)=O ZINC000015731751 568814706 /nfs/dbraw/zinc/81/47/06/568814706.db2.gz XSTXIHGWYJGFOX-UHFFFAOYSA-N 0 0 440.550 3.711 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000015732554 568815272 /nfs/dbraw/zinc/81/52/72/568815272.db2.gz GUOMHTYMVPAGJT-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN C=C1C(NCC(=O)N[C@@H]2CCCc3ccccc32)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015735849 568816908 /nfs/dbraw/zinc/81/69/08/568816908.db2.gz OHHTXLSBHCIRTN-OAQYLSRUSA-N 0 0 437.565 3.560 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015742943 568819359 /nfs/dbraw/zinc/81/93/59/568819359.db2.gz MJXYTZXOTBVOPR-UHFFFAOYSA-N 0 0 440.590 3.606 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCC1CCCCC1 ZINC000006066934 568820340 /nfs/dbraw/zinc/82/03/40/568820340.db2.gz UMQFHVQSFLZEAG-SJLPKXTDSA-N 0 0 429.586 3.753 50 0 IHAARN CCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000015772081 568822688 /nfs/dbraw/zinc/82/26/88/568822688.db2.gz OXWFLUMBOOABHP-UHFFFAOYSA-N 0 0 440.525 3.904 50 0 IHAARN COc1ccc([C@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)c(OC)c1OC ZINC000085587497 568825302 /nfs/dbraw/zinc/82/53/02/568825302.db2.gz MZBLMJZBUGWIMV-HXUWFJFHSA-N 0 0 442.497 3.572 50 0 IHAARN COc1ccc(CCC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781118 568825803 /nfs/dbraw/zinc/82/58/03/568825803.db2.gz FBVCYLQBURKELT-JOCHJYFZSA-N 0 0 443.521 3.561 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3F)n2n1 ZINC000015783912 568826522 /nfs/dbraw/zinc/82/65/22/568826522.db2.gz DMUMVSCBUVIUMF-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 ZINC000015783812 568826603 /nfs/dbraw/zinc/82/66/03/568826603.db2.gz CAJWLLNHZQWRIO-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000085628335 568828502 /nfs/dbraw/zinc/82/85/02/568828502.db2.gz JOQYTOZAQFVVSV-GFCCVEGCSA-N 0 0 445.292 3.680 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000085642493 568828844 /nfs/dbraw/zinc/82/88/44/568828844.db2.gz ZSZRQCAALKGJTK-UHFFFAOYSA-N 0 0 448.951 3.793 50 0 IHAARN O=S(=O)(c1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1)N1CCOCC1 ZINC000085642213 568828935 /nfs/dbraw/zinc/82/89/35/568828935.db2.gz DPSHEUAQNDZJTJ-JXMROGBWSA-N 0 0 431.901 3.581 50 0 IHAARN CCOc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1OCC ZINC000085641930 568829052 /nfs/dbraw/zinc/82/90/52/568829052.db2.gz SPQFOTMLILZWLV-UHFFFAOYSA-N 0 0 443.525 3.986 50 0 IHAARN C[C@@H](NC(=O)CN1c2ccccc2N(C(=O)NCc2ccccc2)CC1=O)c1ccccc1 ZINC000015787048 568836409 /nfs/dbraw/zinc/83/64/09/568836409.db2.gz HSFPDFACXCQYOG-LJQANCHMSA-N 0 0 442.519 3.627 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2sc(C)c(C)c2c1=O ZINC000002195608 568836691 /nfs/dbraw/zinc/83/66/91/568836691.db2.gz XBWCCNGTRURSQA-UHFFFAOYSA-N 0 0 430.555 3.784 50 0 IHAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020412026 568837030 /nfs/dbraw/zinc/83/70/30/568837030.db2.gz CREOEBMBSLKTPF-UHFFFAOYSA-N 0 0 444.579 3.547 50 0 IHAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000015823847 568840182 /nfs/dbraw/zinc/84/01/82/568840182.db2.gz SFYXDGBBOVTWSM-UHFFFAOYSA-N 0 0 445.522 3.894 50 0 IHAARN COCc1cc(C)nc2sc3c(nnn(-c4ccc(C(=O)OCC(C)C)cc4)c3=O)c21 ZINC000015835034 568843547 /nfs/dbraw/zinc/84/35/47/568843547.db2.gz INZDSHZYZUITLU-UHFFFAOYSA-N 0 0 438.509 3.658 50 0 IHAARN CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000015861943 568848468 /nfs/dbraw/zinc/84/84/68/568848468.db2.gz WTLFMJUSSZYCQI-UHFFFAOYSA-N 0 0 426.317 3.683 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000015864550 568850339 /nfs/dbraw/zinc/85/03/39/568850339.db2.gz ZPSRHKBXGVQVSX-UHFFFAOYSA-N 0 0 446.550 3.564 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000015864551 568850374 /nfs/dbraw/zinc/85/03/74/568850374.db2.gz IKMNZCUNUCVWSZ-UHFFFAOYSA-N 0 0 446.550 3.510 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000015865518 568850393 /nfs/dbraw/zinc/85/03/93/568850393.db2.gz PIRRTLRBEDXIBB-UHFFFAOYSA-N 0 0 435.505 3.691 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c(OC)c1OC ZINC000015867936 568851200 /nfs/dbraw/zinc/85/12/00/568851200.db2.gz ZJORKZIPJJCADY-ZDUSSCGKSA-N 0 0 436.493 3.982 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cccc(C(C)=O)c3)cs2)c1 ZINC000015881041 568854197 /nfs/dbraw/zinc/85/41/97/568854197.db2.gz DVRPSNZQFASNCN-UHFFFAOYSA-N 0 0 439.493 3.796 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000015881102 568855705 /nfs/dbraw/zinc/85/57/05/568855705.db2.gz DOVXBOPCLLQPHQ-UHFFFAOYSA-N 0 0 438.524 3.893 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)c(C)c1 ZINC000015882284 568856294 /nfs/dbraw/zinc/85/62/94/568856294.db2.gz AKCKFUSZNYGSAC-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882618 568857100 /nfs/dbraw/zinc/85/71/00/568857100.db2.gz ADASMPNJZFUVBI-QHCPKHFHSA-N 0 0 448.954 3.898 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1Br ZINC000012938545 568867846 /nfs/dbraw/zinc/86/78/46/568867846.db2.gz QKQKBZSERXXBQW-RYUDHWBXSA-N 0 0 440.363 3.776 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCc2nnnn2-c2ccccc2)c1 ZINC000012939868 568868914 /nfs/dbraw/zinc/86/89/14/568868914.db2.gz TZHHOGYMHFULLW-UHFFFAOYSA-N 0 0 426.505 3.962 50 0 IHAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCC(C)C)c(O)c3c2)cc1 ZINC000006181490 568868966 /nfs/dbraw/zinc/86/89/66/568868966.db2.gz SXPSPKLWMVGVEF-UHFFFAOYSA-N 0 0 441.553 3.667 50 0 IHAARN CSCC[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2n1C ZINC000575443348 568869021 /nfs/dbraw/zinc/86/90/21/568869021.db2.gz OMZFFSMGPGPPEQ-LJQANCHMSA-N 0 0 426.586 3.881 50 0 IHAARN CC(C)CCNc1nc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cs1 ZINC000012942354 568870272 /nfs/dbraw/zinc/87/02/72/568870272.db2.gz ZQGAWWNNMKTXNA-UHFFFAOYSA-N 0 0 431.497 3.608 50 0 IHAARN Cc1sc2[nH]c([C@@H]3S[C@@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946243 568871078 /nfs/dbraw/zinc/87/10/78/568871078.db2.gz HAMZKWOORWGIQF-SJCJKPOMSA-N 0 0 425.457 3.921 50 0 IHAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000012948916 568871581 /nfs/dbraw/zinc/87/15/81/568871581.db2.gz PXMKVGSEBXDJME-UHFFFAOYSA-N 0 0 425.666 3.759 50 0 IHAARN COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 ZINC000016129370 568871645 /nfs/dbraw/zinc/87/16/45/568871645.db2.gz HJIZMJIHDDASHE-UNMCSNQZSA-N 0 0 448.475 3.816 50 0 IHAARN O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000575609757 568878852 /nfs/dbraw/zinc/87/88/52/568878852.db2.gz GHUCOBRIUTWSCH-IBGZPJMESA-N 0 0 431.535 3.588 50 0 IHAARN CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4ccncc4Cl)C3)C2=O)cc1 ZINC000575611489 568879034 /nfs/dbraw/zinc/87/90/34/568879034.db2.gz YXZFQEYUGZHOAO-IBGZPJMESA-N 0 0 442.947 3.780 50 0 IHAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)n1 ZINC000575613341 568879817 /nfs/dbraw/zinc/87/98/17/568879817.db2.gz GAGPVZORDGERRU-QGZVFWFLSA-N 0 0 436.459 3.925 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000026531941 568880074 /nfs/dbraw/zinc/88/00/74/568880074.db2.gz PQRXPQOYTALLLI-UHFFFAOYSA-N 0 0 426.922 3.640 50 0 IHAARN CCCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006277191 568881617 /nfs/dbraw/zinc/88/16/17/568881617.db2.gz OJXXTIJSTAEHNG-UHFFFAOYSA-N 0 0 446.548 3.797 50 0 IHAARN Cn1cc(CC(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c2ccccc21 ZINC000575617661 568881925 /nfs/dbraw/zinc/88/19/25/568881925.db2.gz QGJUQPHHAPRDST-OAQYLSRUSA-N 0 0 430.957 3.763 50 0 IHAARN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3Br)Cc3ccccc32)cn1 ZINC000575620109 568883005 /nfs/dbraw/zinc/88/30/05/568883005.db2.gz QIMSBFQRVPSQDJ-KRWDZBQOSA-N 0 0 432.343 3.519 50 0 IHAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1csc2ccccc21 ZINC000575622539 568883196 /nfs/dbraw/zinc/88/31/96/568883196.db2.gz ZSKBUFGJJIIZBK-HXUWFJFHSA-N 0 0 426.567 3.668 50 0 IHAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000009599568 568884168 /nfs/dbraw/zinc/88/41/68/568884168.db2.gz HVVQVHXSQCAIMQ-SFHVURJKSA-N 0 0 430.551 3.953 50 0 IHAARN CN(C)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000102444716 568885125 /nfs/dbraw/zinc/88/51/25/568885125.db2.gz BOXIEWKLMNSICF-WJDWOHSUSA-N 0 0 430.460 3.695 50 0 IHAARN O=C(NCCCn1ccnc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000090583510 568888271 /nfs/dbraw/zinc/88/82/71/568888271.db2.gz GVHSYNLOKOCKJI-UHFFFAOYSA-N 0 0 432.402 3.594 50 0 IHAARN O=S(=O)(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1cccs1 ZINC000090591633 568888678 /nfs/dbraw/zinc/88/86/78/568888678.db2.gz VEKRKJGTKOCSLS-UHFFFAOYSA-N 0 0 434.974 3.806 50 0 IHAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H](C)n1nc(-c2ccco2)ccc1=O ZINC000090592955 568889007 /nfs/dbraw/zinc/88/90/07/568889007.db2.gz FSQPSRFAKCEJGJ-AWEZNQCLSA-N 0 0 438.484 3.952 50 0 IHAARN COc1ccc(CNC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000090607594 568889901 /nfs/dbraw/zinc/88/99/01/568889901.db2.gz XGFGYVXDVPBMDE-UHFFFAOYSA-N 0 0 439.434 3.871 50 0 IHAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000090609693 568891573 /nfs/dbraw/zinc/89/15/73/568891573.db2.gz PYMDGOVZGKGWKM-NSHDSACASA-N 0 0 427.448 3.800 50 0 IHAARN CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1cccc(-c3csc(C)n3)c1)CS2 ZINC000090609868 568891586 /nfs/dbraw/zinc/89/15/86/568891586.db2.gz IKYPTIQESKVHME-OAHLLOKOSA-N 0 0 426.567 3.907 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@@H]3CSc4nc(C(C)(C)C)cc(=O)n4C3)sc2c1 ZINC000090609716 568891610 /nfs/dbraw/zinc/89/16/10/568891610.db2.gz YOOJGWCBVLSGMG-LBPRGKRZSA-N 0 0 444.582 3.910 50 0 IHAARN CSc1nc2nc(C)c(CCC(=O)NCCc3ccc(C(F)(F)F)cc3)c(C)n2n1 ZINC000012979298 568891879 /nfs/dbraw/zinc/89/18/79/568891879.db2.gz NXIFKMOLKABVPG-UHFFFAOYSA-N 0 0 437.491 3.773 50 0 IHAARN CC(C)(C)c1cccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012981226 568894435 /nfs/dbraw/zinc/89/44/35/568894435.db2.gz RWHOINJSTAWLCC-HXUWFJFHSA-N 0 0 449.551 3.807 50 0 IHAARN CCCCOc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1OC ZINC000032966457 568895816 /nfs/dbraw/zinc/89/58/16/568895816.db2.gz PCSYTMSMAQLTLW-ACCUITESSA-N 0 0 426.513 3.993 50 0 IHAARN COc1ccccc1/C=C(/C(=O)N1CCN(C(=O)c2cc(C)no2)CC1)c1ccccc1 ZINC000040122776 568896648 /nfs/dbraw/zinc/89/66/48/568896648.db2.gz VSIJCTRDZRPKSL-HEHNFIMWSA-N 0 0 431.492 3.517 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012993415 568897074 /nfs/dbraw/zinc/89/70/74/568897074.db2.gz VIZHRFUQZSFGIO-GOSISDBHSA-N 0 0 429.369 3.654 50 0 IHAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000012999198 568897838 /nfs/dbraw/zinc/89/78/38/568897838.db2.gz CFLMRYQVZRBDCU-UHFFFAOYSA-N 0 0 436.459 3.620 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 ZINC000013022677 568902489 /nfs/dbraw/zinc/90/24/89/568902489.db2.gz GVEKQBYDXBUPBB-LLVKDONJSA-N 0 0 443.352 3.934 50 0 IHAARN CCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000001756719 568905254 /nfs/dbraw/zinc/90/52/54/568905254.db2.gz NMVNWQANXLAMAH-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN COc1ccc(NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000006444330 568907110 /nfs/dbraw/zinc/90/71/10/568907110.db2.gz MDQQGBKQSITHFO-UHFFFAOYSA-N 0 0 447.948 3.829 50 0 IHAARN CCc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239302812 568911092 /nfs/dbraw/zinc/91/10/92/568911092.db2.gz FORVXNHYHDOKPJ-APDHKMKFSA-N 0 0 432.557 3.687 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000239347299 568911168 /nfs/dbraw/zinc/91/11/68/568911168.db2.gz MRIXZMITUCEVGP-YTFSRNRJSA-N 0 0 430.460 3.755 50 0 IHAARN C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000239434052 568911662 /nfs/dbraw/zinc/91/16/62/568911662.db2.gz YXRHBPUTSUELOS-KFWWJZLASA-N 0 0 426.966 3.733 50 0 IHAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241897134 568912514 /nfs/dbraw/zinc/91/25/14/568912514.db2.gz TVVXSNKXYHGULA-XUVXKRRUSA-N 0 0 432.517 3.512 50 0 IHAARN Cc1csc(-c2coc3cc(OC(=O)CNC(=O)OC(C)(C)C)cc(C)c3c2=O)n1 ZINC000001891743 568917626 /nfs/dbraw/zinc/91/76/26/568917626.db2.gz QUCCNSJLJIXWFV-UHFFFAOYSA-N 0 0 430.482 3.963 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)c(F)c1 ZINC000016488652 568918188 /nfs/dbraw/zinc/91/81/88/568918188.db2.gz OEHRCUAPNZBUDY-ZDUSSCGKSA-N 0 0 430.480 3.920 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccc(N2CCCC2=O)cc1 ZINC000016515920 568920555 /nfs/dbraw/zinc/92/05/55/568920555.db2.gz BEAZNBUXVATVJQ-UHFFFAOYSA-N 0 0 430.480 3.794 50 0 IHAARN COCCn1c(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc2ccccc21 ZINC000089335253 568920573 /nfs/dbraw/zinc/92/05/73/568920573.db2.gz BMOUOTBUBCHBKP-LJQANCHMSA-N 0 0 432.929 3.542 50 0 IHAARN CCn1cnnc1C1CCN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000089310067 568920801 /nfs/dbraw/zinc/92/08/01/568920801.db2.gz WOJZIAATSHAWFJ-UHFFFAOYSA-N 0 0 447.587 3.959 50 0 IHAARN COCCOc1ccccc1C(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000089340277 568920926 /nfs/dbraw/zinc/92/09/26/568920926.db2.gz AYAVLWARJYNBKQ-UHFFFAOYSA-N 0 0 425.529 3.728 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000001962712 568923937 /nfs/dbraw/zinc/92/39/37/568923937.db2.gz BXYOLIGVYHYYGK-UHFFFAOYSA-N 0 0 431.444 3.890 50 0 IHAARN COc1cc(I)c(Cl)cc1C(=O)NCCC[C@H]1CCC[C@@H]1O ZINC000089420775 568924428 /nfs/dbraw/zinc/92/44/28/568924428.db2.gz PPHHIPAERXJIBA-YGRLFVJLSA-N 0 0 437.705 3.624 50 0 IHAARN COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000089438693 568924841 /nfs/dbraw/zinc/92/48/41/568924841.db2.gz XNUCTKXRCJWNLU-UHFFFAOYSA-N 0 0 443.443 3.877 50 0 IHAARN C[C@@H]1S[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N(c2ccc(F)cc2)C1=O ZINC000016608100 568925419 /nfs/dbraw/zinc/92/54/19/568925419.db2.gz NUWAGMDIMPIDLW-QMHKHESXSA-N 0 0 425.529 3.937 50 0 IHAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000089512438 568928115 /nfs/dbraw/zinc/92/81/15/568928115.db2.gz XSPSVVYIEOOWHL-AWEZNQCLSA-N 0 0 436.990 3.936 50 0 IHAARN Cc1cccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)c1 ZINC000064438445 568928212 /nfs/dbraw/zinc/92/82/12/568928212.db2.gz LPVIJBITIXZDCG-UHFFFAOYSA-N 0 0 435.568 3.853 50 0 IHAARN Cn1nc(COc2cccc(F)c2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000064566037 568932800 /nfs/dbraw/zinc/93/28/00/568932800.db2.gz HRGCXHLRJXWXAE-UHFFFAOYSA-N 0 0 441.937 3.600 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(Cl)s1)C2 ZINC000064566360 568933182 /nfs/dbraw/zinc/93/31/82/568933182.db2.gz ITFPWNSIVZRBJN-UHFFFAOYSA-N 0 0 439.928 3.974 50 0 IHAARN Cc1ccc(C)c(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)c1 ZINC000064567205 568933348 /nfs/dbraw/zinc/93/33/48/568933348.db2.gz GNPIXGDCSRWYAN-UHFFFAOYSA-N 0 0 431.536 3.722 50 0 IHAARN Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3ccc(C)cc3)CC4)o2)cc1 ZINC000064566607 568933571 /nfs/dbraw/zinc/93/35/71/568933571.db2.gz DUXSCJJTAGXFTF-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580588 568934411 /nfs/dbraw/zinc/93/44/11/568934411.db2.gz PKRWUHBRVPFHBU-UHFFFAOYSA-N 0 0 445.585 3.526 50 0 IHAARN COc1ccccc1-n1ccn2c(S[C@H](C)C(=O)c3ccc(C)c(C)c3)nnc2c1=O ZINC000064593230 568935728 /nfs/dbraw/zinc/93/57/28/568935728.db2.gz HBWVIFCGTQRKNA-MRXNPFEDSA-N 0 0 434.521 3.869 50 0 IHAARN COc1ccccc1-n1ccn2c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)nnc2c1=O ZINC000064593232 568935737 /nfs/dbraw/zinc/93/57/37/568935737.db2.gz HBWVIFCGTQRKNA-INIZCTEOSA-N 0 0 434.521 3.869 50 0 IHAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3OC)ccn12)C(=O)Nc1ccccc1C ZINC000064593104 568935739 /nfs/dbraw/zinc/93/57/39/568935739.db2.gz WVJZPYLPHMTITJ-LJQANCHMSA-N 0 0 449.536 3.707 50 0 IHAARN CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1 ZINC000064593209 568935813 /nfs/dbraw/zinc/93/58/13/568935813.db2.gz JQKGCNDYNMSNAI-UHFFFAOYSA-N 0 0 434.521 3.871 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 ZINC000064593449 568935879 /nfs/dbraw/zinc/93/58/79/568935879.db2.gz UCCFRCAXPPRBNC-UHFFFAOYSA-N 0 0 425.901 3.573 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593616 568936002 /nfs/dbraw/zinc/93/60/02/568936002.db2.gz GBIGFCVJQQOKFP-MRXNPFEDSA-N 0 0 449.536 3.625 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4ccccc4Cl)nnc3c2=O)cc1 ZINC000064593825 568936199 /nfs/dbraw/zinc/93/61/99/568936199.db2.gz HAUNUXUNZZNUAJ-UHFFFAOYSA-N 0 0 440.912 3.907 50 0 IHAARN CCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000064611718 568941436 /nfs/dbraw/zinc/94/14/36/568941436.db2.gz QKCBBYPBXFHOMI-MRXNPFEDSA-N 0 0 440.569 3.793 50 0 IHAARN O=C(NCCc1ccccc1Cl)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665509 568942780 /nfs/dbraw/zinc/94/27/80/568942780.db2.gz ONHACDXIZBFCKQ-UHFFFAOYSA-N 0 0 440.906 3.694 50 0 IHAARN Cn1ncc(Oc2ccc(F)cc2F)c(Nc2cccc(C(=O)NCC3CC3)c2)c1=O ZINC000036071160 568945661 /nfs/dbraw/zinc/94/56/61/568945661.db2.gz ARZGJDRYFBCYKK-UHFFFAOYSA-N 0 0 426.423 3.734 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000064775310 568954549 /nfs/dbraw/zinc/95/45/49/568954549.db2.gz HPAOIVKGLLLZOJ-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(C)=O ZINC000036117548 568955920 /nfs/dbraw/zinc/95/59/20/568955920.db2.gz LVRYFJUTHSEDCT-LJQANCHMSA-N 0 0 430.570 3.766 50 0 IHAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(-c3cccnc3)nc2n1 ZINC000064787552 568956311 /nfs/dbraw/zinc/95/63/11/568956311.db2.gz PEWOQOUXSLITLF-UHFFFAOYSA-N 0 0 439.445 3.840 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036120070 568956995 /nfs/dbraw/zinc/95/69/95/568956995.db2.gz SQYXNKWYFHOPMI-UNMCSNQZSA-N 0 0 442.581 3.589 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)NCC ZINC000036122466 568958167 /nfs/dbraw/zinc/95/81/67/568958167.db2.gz PTTJBRBIBHCEGC-SFHVURJKSA-N 0 0 445.585 3.703 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)COC ZINC000036121461 568958301 /nfs/dbraw/zinc/95/83/01/568958301.db2.gz OJUJHWWABALPOF-UZLBHIALSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036122724 568958303 /nfs/dbraw/zinc/95/83/03/568958303.db2.gz PNYNHAPTHQKALO-FQEVSTJZSA-N 0 0 427.570 3.694 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000036123406 568958643 /nfs/dbraw/zinc/95/86/43/568958643.db2.gz WJFYWTVYDKHYEF-HXUWFJFHSA-N 0 0 445.560 3.834 50 0 IHAARN COc1ccc(NC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)cc1 ZINC000064792505 568959452 /nfs/dbraw/zinc/95/94/52/568959452.db2.gz JGZQFJDGTPWGPS-HSZRJFAPSA-N 0 0 438.491 3.771 50 0 IHAARN CC[C@H]1Cn2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816621 568964114 /nfs/dbraw/zinc/96/41/14/568964114.db2.gz SKQOXFLFZCYILT-AWEZNQCLSA-N 0 0 427.888 3.657 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nc3cnn(C)c3c(=O)n2Cc2ccccc2)c1 ZINC000064817046 568964317 /nfs/dbraw/zinc/96/43/17/568964317.db2.gz MUJBFOUZMVQKGV-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN CC[C@H](C)[C@H](NC[C@H](O)COc1ccccc1C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036155153 568964769 /nfs/dbraw/zinc/96/47/69/568964769.db2.gz XKSDOHPKVSQBOJ-VPKVUBIPSA-N 0 0 439.512 3.890 50 0 IHAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)c1ccccc1 ZINC000036161395 568967420 /nfs/dbraw/zinc/96/74/20/568967420.db2.gz OOSFZCZXHNKDKU-APWZRJJASA-N 0 0 441.597 3.682 50 0 IHAARN O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000064830412 568967890 /nfs/dbraw/zinc/96/78/90/568967890.db2.gz PNAQCDXBMYWQHR-RUZDIDTESA-N 0 0 441.372 3.525 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064838597 568970325 /nfs/dbraw/zinc/97/03/25/568970325.db2.gz SFHAVPMVRUEOPO-UHFFFAOYSA-N 0 0 430.913 3.590 50 0 IHAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCCc1ccccc1)c2=O ZINC000064842068 568970574 /nfs/dbraw/zinc/97/05/74/568970574.db2.gz ZXWRPKUEAQAPDL-UHFFFAOYSA-N 0 0 436.899 3.762 50 0 IHAARN CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000064841938 568970722 /nfs/dbraw/zinc/97/07/22/568970722.db2.gz GFCJSAOSWLSIHV-UHFFFAOYSA-N 0 0 445.516 3.530 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000064847283 568971197 /nfs/dbraw/zinc/97/11/97/568971197.db2.gz GQIFLLPDEPGAML-UHFFFAOYSA-N 0 0 427.476 3.563 50 0 IHAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 ZINC000064862261 568974074 /nfs/dbraw/zinc/97/40/74/568974074.db2.gz FDFWWLBOJKFDOK-UHFFFAOYSA-N 0 0 431.533 3.709 50 0 IHAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000064867227 568975028 /nfs/dbraw/zinc/97/50/28/568975028.db2.gz VUOVZQKZVHWJNN-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN Cc1nc2ccccc2c(=O)n1Cc1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000064867377 568975224 /nfs/dbraw/zinc/97/52/24/568975224.db2.gz JERILBBTIDPFGD-UHFFFAOYSA-N 0 0 427.420 3.649 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1 ZINC000036210852 568975306 /nfs/dbraw/zinc/97/53/06/568975306.db2.gz BVAVZKRKZOHZRK-DEOSSOPVSA-N 0 0 447.579 3.577 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036211965 568975779 /nfs/dbraw/zinc/97/57/79/568975779.db2.gz UYINZXUTNHHMKP-UTKZUKDTSA-N 0 0 441.597 3.622 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036211978 568975849 /nfs/dbraw/zinc/97/58/49/568975849.db2.gz FTMJEBDSSUHGNE-WMZHIEFXSA-N 0 0 435.568 3.561 50 0 IHAARN CC(C)C(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC2CC2)cc1 ZINC000036215334 568977417 /nfs/dbraw/zinc/97/74/17/568977417.db2.gz FKZWVSUJCVWVTQ-LEWJYISDSA-N 0 0 439.487 3.761 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000064872140 568977910 /nfs/dbraw/zinc/97/79/10/568977910.db2.gz AOISJFMJJPXASQ-UHFFFAOYSA-N 0 0 445.566 3.900 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888881 568979734 /nfs/dbraw/zinc/97/97/34/568979734.db2.gz FZBWETXKPBGTJM-UHFFFAOYSA-N 0 0 446.960 3.811 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NC1CCCCCCC1 ZINC000064889033 568980148 /nfs/dbraw/zinc/98/01/48/568980148.db2.gz JCISUMWOPFRKSK-UHFFFAOYSA-N 0 0 434.606 3.686 50 0 IHAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCCC1 ZINC000064889104 568980259 /nfs/dbraw/zinc/98/02/59/568980259.db2.gz ADTPXPMZKNXSMD-UHFFFAOYSA-N 0 0 446.617 3.830 50 0 IHAARN Cc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890496 568981346 /nfs/dbraw/zinc/98/13/46/568981346.db2.gz AWFZNMZVVWQNRE-UHFFFAOYSA-N 0 0 443.507 3.729 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000064892047 568982876 /nfs/dbraw/zinc/98/28/76/568982876.db2.gz HBDMZFRRSRNPIT-OAHLLOKOSA-N 0 0 436.899 3.517 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N[C@@H]3CCCc4ccccc43)n2)cc1C ZINC000064891952 568982936 /nfs/dbraw/zinc/98/29/36/568982936.db2.gz OFRRDJQYQKUOAE-JOCHJYFZSA-N 0 0 444.535 3.696 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3nnc4cccnc43)cc2)CC1 ZINC000064896341 568983601 /nfs/dbraw/zinc/98/36/01/568983601.db2.gz BSZAQFZCWLQKEU-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN CCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250936 568984297 /nfs/dbraw/zinc/98/42/97/568984297.db2.gz FIVWPQDJQDSTOQ-IBGZPJMESA-N 0 0 425.495 3.500 50 0 IHAARN CCN(C)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036250934 568984350 /nfs/dbraw/zinc/98/43/50/568984350.db2.gz FIVWPQDJQDSTOQ-LJQANCHMSA-N 0 0 425.495 3.500 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000036255285 568985082 /nfs/dbraw/zinc/98/50/82/568985082.db2.gz PZZBCCPALLGGNN-XMMPIXPASA-N 0 0 437.559 3.767 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000064924730 568986228 /nfs/dbraw/zinc/98/62/28/568986228.db2.gz YNSSWJFCOLPINF-UHFFFAOYSA-N 0 0 432.572 3.827 50 0 IHAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064925036 568986383 /nfs/dbraw/zinc/98/63/83/568986383.db2.gz XOQWTMBOAYOWGK-UHFFFAOYSA-N 0 0 448.571 3.810 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCc1cccs1 ZINC000064924879 568986479 /nfs/dbraw/zinc/98/64/79/568986479.db2.gz WXIVTMXMIKEVLV-UHFFFAOYSA-N 0 0 438.601 3.622 50 0 IHAARN C[C@@H](NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1)c1ccccc1 ZINC000064927995 568986718 /nfs/dbraw/zinc/98/67/18/568986718.db2.gz YJCRCBKDRAYSEQ-QGZVFWFLSA-N 0 0 436.943 3.980 50 0 IHAARN C[C@H](NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1)c1ccccc1 ZINC000064927994 568986825 /nfs/dbraw/zinc/98/68/25/568986825.db2.gz YJCRCBKDRAYSEQ-KRWDZBQOSA-N 0 0 436.943 3.980 50 0 IHAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1=O ZINC000064926171 568986869 /nfs/dbraw/zinc/98/68/69/568986869.db2.gz NVOBTTXKESNAAR-UHFFFAOYSA-N 0 0 425.920 3.732 50 0 IHAARN CCn1c2ccccc2nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1=O ZINC000064926232 568986894 /nfs/dbraw/zinc/98/68/94/568986894.db2.gz FOVNAEUTAJPMQO-UHFFFAOYSA-N 0 0 445.445 3.789 50 0 IHAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927380 568987059 /nfs/dbraw/zinc/98/70/59/568987059.db2.gz ZFGNLBFLXJNDSD-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927530 568987067 /nfs/dbraw/zinc/98/70/67/568987067.db2.gz UVCFCWJSGSQFOX-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccccc4OC)CC3)ccc2=O)cc1 ZINC000064927331 568987104 /nfs/dbraw/zinc/98/71/04/568987104.db2.gz YRJXWJPTZZKFML-UHFFFAOYSA-N 0 0 432.524 3.659 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000064929787 568988328 /nfs/dbraw/zinc/98/83/28/568988328.db2.gz TUIIAXSDEQFQHA-UHFFFAOYSA-N 0 0 447.004 3.646 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064930036 568988378 /nfs/dbraw/zinc/98/83/78/568988378.db2.gz PQMYYGKGJIIPFV-GOSISDBHSA-N 0 0 440.500 3.980 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064929994 568988420 /nfs/dbraw/zinc/98/84/20/568988420.db2.gz LMHBDLRPZVVMPV-GOSISDBHSA-N 0 0 440.500 3.844 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929993 568988428 /nfs/dbraw/zinc/98/84/28/568988428.db2.gz YLTJLBODFYTSGX-SFHVURJKSA-N 0 0 440.500 3.844 50 0 IHAARN CN(C)c1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929969 568988444 /nfs/dbraw/zinc/98/84/44/568988444.db2.gz FCTVBOVAGFWLCL-SFHVURJKSA-N 0 0 439.516 3.973 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064929988 568988485 /nfs/dbraw/zinc/98/84/85/568988485.db2.gz CXMACZURNXIAAK-QGZVFWFLSA-N 0 0 428.464 3.975 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064930273 568988686 /nfs/dbraw/zinc/98/86/86/568988686.db2.gz HRXAAAFMXJROBL-INIZCTEOSA-N 0 0 436.493 3.805 50 0 IHAARN COc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1 ZINC000064942640 568992270 /nfs/dbraw/zinc/99/22/70/568992270.db2.gz YKLSGQBXVDSGML-UHFFFAOYSA-N 0 0 447.310 3.938 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CSc1ccc(N3CCc4ccccc4C3)nn1)CCO2 ZINC000064945418 568992945 /nfs/dbraw/zinc/99/29/45/568992945.db2.gz LAFQRWPMDXNITP-UHFFFAOYSA-N 0 0 432.549 3.865 50 0 IHAARN CCn1c2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)cc2sc1=O ZINC000064946798 568993738 /nfs/dbraw/zinc/99/37/38/568993738.db2.gz AEUMKBPSOSTXPE-UHFFFAOYSA-N 0 0 427.345 3.955 50 0 IHAARN CC(C)CCn1c2nn(Cc3cccc(C(F)(F)F)c3)c(=O)n2c2ccsc2c1=O ZINC000064946120 568993935 /nfs/dbraw/zinc/99/39/35/568993935.db2.gz IBMHHHIZKXWKMM-UHFFFAOYSA-N 0 0 436.459 3.986 50 0 IHAARN COc1ccc(Cn2c3nn(Cc4cc(C)ccc4C)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946293 568994358 /nfs/dbraw/zinc/99/43/58/568994358.db2.gz NBCBRPHIZXXREN-UHFFFAOYSA-N 0 0 446.532 3.594 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311191 568997068 /nfs/dbraw/zinc/99/70/68/568997068.db2.gz XSTOCBAWMZUHPW-JOCHJYFZSA-N 0 0 427.495 3.920 50 0 IHAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1 ZINC000064952054 568997351 /nfs/dbraw/zinc/99/73/51/568997351.db2.gz CPUXMENLHFVHJD-UHFFFAOYSA-N 0 0 434.539 3.513 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)C3CCCC3)CC2)cc1OC ZINC000036311858 568997407 /nfs/dbraw/zinc/99/74/07/568997407.db2.gz PRVRDDCSQGCKCE-HSZRJFAPSA-N 0 0 443.588 3.536 50 0 IHAARN COc1cc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CC(C)(C)C)CC2)cc(OC)c1 ZINC000036311679 568998257 /nfs/dbraw/zinc/99/82/57/568998257.db2.gz YHXYEAMLRARWAX-HSZRJFAPSA-N 0 0 445.604 3.782 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000064956859 568999254 /nfs/dbraw/zinc/99/92/54/568999254.db2.gz QYGHJLQCOHGDRD-UHFFFAOYSA-N 0 0 426.908 3.533 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21)Nc1ccc(F)c(Cl)c1 ZINC000064956880 568999261 /nfs/dbraw/zinc/99/92/61/568999261.db2.gz BEPIENAJGVFWPI-UHFFFAOYSA-N 0 0 444.898 3.672 50 0 IHAARN COc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000064959203 568999845 /nfs/dbraw/zinc/99/98/45/568999845.db2.gz ZSKHLCRMPDXUCE-OAHLLOKOSA-N 0 0 448.475 3.566 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064959698 569000034 /nfs/dbraw/zinc/00/00/34/569000034.db2.gz HUHYHXCMGVTQQU-SFHVURJKSA-N 0 0 434.515 3.819 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970891 569076403 /nfs/dbraw/zinc/07/64/03/569076403.db2.gz OIVUASXVDZEYMT-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000064971770 569076816 /nfs/dbraw/zinc/07/68/16/569076816.db2.gz OGYYPGQRXCOJCP-UHFFFAOYSA-N 0 0 428.492 3.541 50 0 IHAARN Cc1cc(-c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c2)on1 ZINC000064979679 569078159 /nfs/dbraw/zinc/07/81/59/569078159.db2.gz PGQSUJBYTYRJTJ-UHFFFAOYSA-N 0 0 425.554 3.901 50 0 IHAARN CCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985613 569082018 /nfs/dbraw/zinc/08/20/18/569082018.db2.gz RGSMJYKRVTWYJP-OAQYLSRUSA-N 0 0 430.570 3.857 50 0 IHAARN COc1cc(OC)c(NC(=O)c2cnn3c2ncc2c3CC(C)(C)CC2=O)cc1Cl ZINC000064987395 569082466 /nfs/dbraw/zinc/08/24/66/569082466.db2.gz CCOKMDASYNKLLZ-UHFFFAOYSA-N 0 0 428.876 3.807 50 0 IHAARN Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(F)cc3)n1C)OCCCO2 ZINC000064987129 569082582 /nfs/dbraw/zinc/08/25/82/569082582.db2.gz ORTNESSNPBALAQ-UHFFFAOYSA-N 0 0 428.489 3.822 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4cc(OC)cc(OC)c4)cc32)cc1 ZINC000064989949 569083129 /nfs/dbraw/zinc/08/31/29/569083129.db2.gz INZZZNNHVJBMOJ-UHFFFAOYSA-N 0 0 446.503 3.845 50 0 biogenic IHAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(Cc2ccccc2)CC1 ZINC000036353192 569083934 /nfs/dbraw/zinc/08/39/34/569083934.db2.gz IFCKELSMEIWCOS-QHCPKHFHSA-N 0 0 434.540 3.706 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)cc1 ZINC000036358414 569084953 /nfs/dbraw/zinc/08/49/53/569084953.db2.gz YZKPCTJWRUAFEE-UHFFFAOYSA-N 0 0 429.885 3.836 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1 ZINC000064998838 569085523 /nfs/dbraw/zinc/08/55/23/569085523.db2.gz KBOFCZMREOPWSF-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2)o1 ZINC000036364970 569086954 /nfs/dbraw/zinc/08/69/54/569086954.db2.gz JSGZZZAPGLHXAP-UHFFFAOYSA-N 0 0 444.509 3.507 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(OC)c1 ZINC000065007909 569087339 /nfs/dbraw/zinc/08/73/39/569087339.db2.gz PFTDUFBOZSQUNM-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000065006520 569087506 /nfs/dbraw/zinc/08/75/06/569087506.db2.gz SLUSQBSDILWHKY-MRXNPFEDSA-N 0 0 429.586 3.678 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)ncn2)cc1 ZINC000065007574 569087592 /nfs/dbraw/zinc/08/75/92/569087592.db2.gz QTSPJMNDWHVYSX-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1ccc2oc(-c3noc(C(=O)NCCN4CCc5ccccc5C4)n3)c(C)c2c1 ZINC000065010358 569088135 /nfs/dbraw/zinc/08/81/35/569088135.db2.gz UUWWDKYXRCLZFE-UHFFFAOYSA-N 0 0 432.480 3.588 50 0 IHAARN COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000036369932 569088404 /nfs/dbraw/zinc/08/84/04/569088404.db2.gz WEXNPWLELKGIMA-UHFFFAOYSA-N 0 0 431.496 3.542 50 0 biogenic IHAARN COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C ZINC000036369825 569088431 /nfs/dbraw/zinc/08/84/31/569088431.db2.gz UNCJIVPKRIXNHO-UHFFFAOYSA-N 0 0 437.887 3.592 50 0 biogenic IHAARN COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C ZINC000036370118 569088499 /nfs/dbraw/zinc/08/84/99/569088499.db2.gz TVBIWDKAXXGXMI-UHFFFAOYSA-N 0 0 437.544 3.854 50 0 biogenic IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000036370381 569088569 /nfs/dbraw/zinc/08/85/69/569088569.db2.gz LAAOEHWWDROFND-FUHWJXTLSA-N 0 0 444.557 3.568 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000065023118 569089172 /nfs/dbraw/zinc/08/91/72/569089172.db2.gz UWDVDUAAQDZJBU-OAHLLOKOSA-N 0 0 425.872 3.803 50 0 IHAARN CCc1nc2onc(-c3ccccc3)c2c(OCC(=O)NCc2cc(OC)ccc2OC)n1 ZINC000065024785 569089755 /nfs/dbraw/zinc/08/97/55/569089755.db2.gz IJAWUYUUKWKEHE-UHFFFAOYSA-N 0 0 448.479 3.560 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1 ZINC000065025912 569090812 /nfs/dbraw/zinc/09/08/12/569090812.db2.gz HHWZLTZMFKIUOM-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)NCc4cccs4)nn3)CC2)c1 ZINC000065026155 569090999 /nfs/dbraw/zinc/09/09/99/569090999.db2.gz JDVLFXBSSYNLEM-UHFFFAOYSA-N 0 0 439.610 3.582 50 0 IHAARN CNC(=O)Nc1ccc(C2(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CCC2)cc1 ZINC000065029623 569091075 /nfs/dbraw/zinc/09/10/75/569091075.db2.gz RUNMBSYEFBCMGL-UHFFFAOYSA-N 0 0 426.948 3.862 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030651 569091329 /nfs/dbraw/zinc/09/13/29/569091329.db2.gz MKJXVQYUDOKNSB-UHFFFAOYSA-N 0 0 442.488 3.611 50 0 IHAARN O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)Nc1ccc(Cl)cc1 ZINC000065030703 569091355 /nfs/dbraw/zinc/09/13/55/569091355.db2.gz JTPDDWRYMFISGC-UHFFFAOYSA-N 0 0 443.960 3.802 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000065033442 569091889 /nfs/dbraw/zinc/09/18/89/569091889.db2.gz DXYPNGLZDDZYKA-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN O=C(c1ccc2ccccc2n1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169750935 569092111 /nfs/dbraw/zinc/09/21/11/569092111.db2.gz ITTJEOOFUBZOEH-GOSISDBHSA-N 0 0 437.463 3.631 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)cc1Cl ZINC000065035031 569092468 /nfs/dbraw/zinc/09/24/68/569092468.db2.gz NDBNVMRHNRESOT-UHFFFAOYSA-N 0 0 429.879 3.634 50 0 IHAARN COC(=O)[C@H](C)N(Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12 ZINC000036383387 569092514 /nfs/dbraw/zinc/09/25/14/569092514.db2.gz VKEJOZKTSSZVCH-ZDUSSCGKSA-N 0 0 432.311 3.853 50 0 IHAARN O=C(CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)Nc1ccccc1Cl ZINC000036386926 569093424 /nfs/dbraw/zinc/09/34/24/569093424.db2.gz PYIULOKYNLTLGK-UHFFFAOYSA-N 0 0 438.959 3.927 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(Br)c4)C3)n[nH]2)cc1 ZINC000169754312 569093866 /nfs/dbraw/zinc/09/38/66/569093866.db2.gz IMUCVVCSJQELRZ-QGZVFWFLSA-N 0 0 441.329 3.857 50 0 IHAARN CCOc1cc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)ccc1OC ZINC000169758263 569094350 /nfs/dbraw/zinc/09/43/50/569094350.db2.gz OXKUFQHOBLTYDI-LJQANCHMSA-N 0 0 437.431 3.813 50 0 IHAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C2=C1C(=O)OC2 ZINC000169758185 569094380 /nfs/dbraw/zinc/09/43/80/569094380.db2.gz JIWFPPGJVXPNGN-QHCPKHFHSA-N 0 0 449.507 3.725 50 0 IHAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056711 569094935 /nfs/dbraw/zinc/09/49/35/569094935.db2.gz YHVWIYOTCDWGJO-GJZGRUSLSA-N 0 0 425.508 3.797 50 0 IHAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059326 569096064 /nfs/dbraw/zinc/09/60/64/569096064.db2.gz JVXDYROOUASUOF-LJQANCHMSA-N 0 0 426.991 3.817 50 0 IHAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000006878430 569096268 /nfs/dbraw/zinc/09/62/68/569096268.db2.gz IJFNMHBEIJETEP-UHFFFAOYSA-N 0 0 433.921 3.514 50 0 IHAARN Cc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062054 569096922 /nfs/dbraw/zinc/09/69/22/569096922.db2.gz XJNCOCOWEGIBSQ-UHFFFAOYSA-N 0 0 426.991 3.817 50 0 IHAARN Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccncc3)CC2=O)ccc1Br ZINC000036394292 569098530 /nfs/dbraw/zinc/09/85/30/569098530.db2.gz SCCOPEOHSFIWMZ-QFBILLFUSA-N 0 0 428.330 3.869 50 0 IHAARN CCc1ccc(-n2c(CN3CCN(C(=O)NCCC(C)C)CC3)nc3cccnc32)cc1 ZINC000065075355 569099653 /nfs/dbraw/zinc/09/96/53/569099653.db2.gz VSTHEAAJHAIZLC-UHFFFAOYSA-N 0 0 434.588 3.856 50 0 IHAARN COc1cccc(-c2nc(C3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)no2)c1 ZINC000065076823 569100013 /nfs/dbraw/zinc/10/00/13/569100013.db2.gz UGKVZVMIZCHNMR-UHFFFAOYSA-N 0 0 437.496 3.711 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(COc4ccccc4)n3)ccc21)N1CCCCCC1 ZINC000065076149 569100114 /nfs/dbraw/zinc/10/01/14/569100114.db2.gz DXDRELFNJQQXMT-UHFFFAOYSA-N 0 0 446.511 3.853 50 0 IHAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(N(C)C)nc3)nc2n1 ZINC000036397085 569100118 /nfs/dbraw/zinc/10/01/18/569100118.db2.gz BHUZUQAJLXKECN-UHFFFAOYSA-N 0 0 433.541 3.747 50 0 IHAARN C[C@@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077251 569100212 /nfs/dbraw/zinc/10/02/12/569100212.db2.gz QBPNWGGDRMDFQF-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1ccc(N(C)C(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077508 569100276 /nfs/dbraw/zinc/10/02/76/569100276.db2.gz PRMQRCGYLRGBHT-OAHLLOKOSA-N 0 0 432.567 3.645 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cc(F)ccc3F)ccc2S1 ZINC000065077716 569100617 /nfs/dbraw/zinc/10/06/17/569100617.db2.gz ASZHBAXYSRUSTH-NSHDSACASA-N 0 0 440.493 3.590 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)ccc2S1 ZINC000065077790 569100642 /nfs/dbraw/zinc/10/06/42/569100642.db2.gz GEQDQACSPRBTPV-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(C)c1 ZINC000065077876 569100766 /nfs/dbraw/zinc/10/07/66/569100766.db2.gz HATZBPPDRJZROR-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)NC1CCCCC1 ZINC000036398096 569101037 /nfs/dbraw/zinc/10/10/37/569101037.db2.gz IEVLWXPFLRUPMQ-UHFFFAOYSA-N 0 0 425.620 3.577 50 0 IHAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1Cl ZINC000169772011 569101582 /nfs/dbraw/zinc/10/15/82/569101582.db2.gz AJQZEEODXKIKTL-HXUWFJFHSA-N 0 0 427.844 3.798 50 0 IHAARN CCN(CC)c1ccc(C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)cc1 ZINC000169776127 569102071 /nfs/dbraw/zinc/10/20/71/569102071.db2.gz NDNWWNRYGQTHBW-UHFFFAOYSA-N 0 0 433.516 3.679 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000065084959 569102614 /nfs/dbraw/zinc/10/26/14/569102614.db2.gz MBUFDENYAIRQGN-UHFFFAOYSA-N 0 0 442.562 3.552 50 0 IHAARN CCOc1ccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000169777537 569102926 /nfs/dbraw/zinc/10/29/26/569102926.db2.gz BOKWJDLGCUTFCX-UHFFFAOYSA-N 0 0 444.495 3.871 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000169777562 569103053 /nfs/dbraw/zinc/10/30/53/569103053.db2.gz PMADYNHLNQKTQA-UHFFFAOYSA-N 0 0 443.511 3.538 50 0 IHAARN COc1ccccc1N(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036408663 569103445 /nfs/dbraw/zinc/10/34/45/569103445.db2.gz YPFCQWXLVUUICW-UYAOXDASSA-N 0 0 430.570 3.894 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)N4CCCc5ccccc54)n3C)n2)cc1 ZINC000065099903 569104783 /nfs/dbraw/zinc/10/47/83/569104783.db2.gz FILJMAFQGALUFF-UHFFFAOYSA-N 0 0 446.536 3.912 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccccc4)no3)n2C)cc1 ZINC000065100074 569104901 /nfs/dbraw/zinc/10/49/01/569104901.db2.gz IGYBMARCLVCJFM-UHFFFAOYSA-N 0 0 436.497 3.662 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c(=O)nc(NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000065101942 569106016 /nfs/dbraw/zinc/10/60/16/569106016.db2.gz OFCJTODFXLGTBX-UHFFFAOYSA-N 0 0 442.475 3.684 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000065101844 569106041 /nfs/dbraw/zinc/10/60/41/569106041.db2.gz KJBYJSGNRXGGPM-UHFFFAOYSA-N 0 0 444.466 3.989 50 0 IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115340 569106774 /nfs/dbraw/zinc/10/67/74/569106774.db2.gz PVUHWAPYHHQDPB-UHFFFAOYSA-N 0 0 427.526 3.665 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000065115908 569107029 /nfs/dbraw/zinc/10/70/29/569107029.db2.gz GUQSCUXKHRPYAM-UHFFFAOYSA-N 0 0 433.530 3.786 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000065116025 569107242 /nfs/dbraw/zinc/10/72/42/569107242.db2.gz SNNIUEUUOWQZKQ-AWEZNQCLSA-N 0 0 443.525 3.699 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)no2)c1 ZINC000065112157 569108017 /nfs/dbraw/zinc/10/80/17/569108017.db2.gz LZRXHLCPFIXOIW-UHFFFAOYSA-N 0 0 427.526 3.930 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)c1 ZINC000065112237 569108028 /nfs/dbraw/zinc/10/80/28/569108028.db2.gz MQKPWOCDNIZGEP-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2C[C@@H]3CSCN3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000169793902 569108359 /nfs/dbraw/zinc/10/83/59/569108359.db2.gz BCTXMWHCLXONCY-QRFQSNJMSA-N 0 0 425.579 3.614 50 0 biogenic IHAARN O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1-c1cccc(F)c1 ZINC000065112805 569108363 /nfs/dbraw/zinc/10/83/63/569108363.db2.gz MOJPCFYZHYBOBH-UHFFFAOYSA-N 0 0 438.415 3.590 50 0 IHAARN COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1N ZINC000065113637 569108513 /nfs/dbraw/zinc/10/85/13/569108513.db2.gz LMHZZEIXCOHGTD-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN COc1ccccc1-c1noc(-c2nn(-c3cccc(Br)c3)ccc2=O)n1 ZINC000065129650 569109056 /nfs/dbraw/zinc/10/90/56/569109056.db2.gz CRUKJLWJNLAPIO-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN Cc1cc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)ccc1F ZINC000065130263 569109166 /nfs/dbraw/zinc/10/91/66/569109166.db2.gz DPFPDJNGTYVRNE-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)C1 ZINC000065132196 569109769 /nfs/dbraw/zinc/10/97/69/569109769.db2.gz ZOJQLIBXDOQIGK-GOSISDBHSA-N 0 0 441.601 3.567 50 0 IHAARN CCC(=O)Nc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000065150120 569110946 /nfs/dbraw/zinc/11/09/46/569110946.db2.gz DXEJMLFVZUTBEZ-UHFFFAOYSA-N 0 0 435.553 3.824 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(C)ccc4C)nc23)c(C)c1 ZINC000065151009 569111658 /nfs/dbraw/zinc/11/16/58/569111658.db2.gz GJEZYWIZNOYPJJ-UHFFFAOYSA-N 0 0 433.537 3.915 50 0 IHAARN O=C(CN1C(=O)[C@@](O)(c2ccccc2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000065155756 569111914 /nfs/dbraw/zinc/11/19/14/569111914.db2.gz BMQCBAIQWUUVIJ-JOCHJYFZSA-N 0 0 437.293 3.670 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3ccccc3[C@](O)(c3cccc(Cl)c3)C2=O)cc1 ZINC000065155535 569112420 /nfs/dbraw/zinc/11/24/20/569112420.db2.gz DHPADDRDQBTZHT-XMMPIXPASA-N 0 0 436.895 3.960 50 0 IHAARN CSc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCOCC2)cc1 ZINC000065166232 569112598 /nfs/dbraw/zinc/11/25/98/569112598.db2.gz QZNNGCMQHYVWJY-UHFFFAOYSA-N 0 0 425.554 3.524 50 0 IHAARN O=S(=O)(c1cccc(Br)c1)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065169263 569112673 /nfs/dbraw/zinc/11/26/73/569112673.db2.gz OQDSXYLAXAKLGN-UHFFFAOYSA-N 0 0 430.327 3.653 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 ZINC000065179984 569113578 /nfs/dbraw/zinc/11/35/78/569113578.db2.gz HLYJQQNNBRMIFA-UHFFFAOYSA-N 0 0 436.552 3.707 50 0 IHAARN Cc1ccc2c(c1)N(Cc1cc(F)cc(F)c1)N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000065183337 569113858 /nfs/dbraw/zinc/11/38/58/569113858.db2.gz FNMCFZUJOHECOH-UHFFFAOYSA-N 0 0 447.507 3.639 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c(C)c1 ZINC000065197576 569114865 /nfs/dbraw/zinc/11/48/65/569114865.db2.gz JEGQIKQSRQDUTM-UHFFFAOYSA-N 0 0 435.871 3.869 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c1 ZINC000065195605 569115615 /nfs/dbraw/zinc/11/56/15/569115615.db2.gz ZVHRSXKIQYBEBJ-FQEVSTJZSA-N 0 0 445.519 3.570 50 0 IHAARN Cc1ccc(CN2CCc3c(cc(C(=O)Nc4ccc(N5CCOCC5)cc4)n3C)C2)cc1 ZINC000065210932 569116352 /nfs/dbraw/zinc/11/63/52/569116352.db2.gz KUFXLSORFYPSPA-UHFFFAOYSA-N 0 0 444.579 3.981 50 0 IHAARN O=C(NCCc1cccnc1)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209875 569116547 /nfs/dbraw/zinc/11/65/47/569116547.db2.gz CUPADBYXLCRVRN-UHFFFAOYSA-N 0 0 440.507 3.502 50 0 IHAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(-n2cc(CNC(=O)C3CC3)cn2)cc1 ZINC000065213145 569116875 /nfs/dbraw/zinc/11/68/75/569116875.db2.gz SXIGEAVDYNMCNR-UHFFFAOYSA-N 0 0 426.879 3.621 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2cc(F)ccc2F)s1 ZINC000065217431 569117149 /nfs/dbraw/zinc/11/71/49/569117149.db2.gz DALPJRSNNPVYBW-UHFFFAOYSA-N 0 0 434.493 3.777 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000065217415 569117193 /nfs/dbraw/zinc/11/71/93/569117193.db2.gz HUMIFWLZTBAWNM-UHFFFAOYSA-N 0 0 434.493 3.777 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccc(C)cc5)CC4)CC3)o2)cc1 ZINC000065229585 569118250 /nfs/dbraw/zinc/11/82/50/569118250.db2.gz QPUMJHIURFSWQK-UHFFFAOYSA-N 0 0 445.567 3.919 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 ZINC000036569629 569118323 /nfs/dbraw/zinc/11/83/23/569118323.db2.gz PCJJBHSNLVWRKG-CTNGQTDRSA-N 0 0 438.915 3.505 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000036576395 569118509 /nfs/dbraw/zinc/11/85/09/569118509.db2.gz JLTFFELJKDPHEW-PBQZTSCYSA-N 0 0 439.343 3.961 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1 ZINC000065232242 569118960 /nfs/dbraw/zinc/11/89/60/569118960.db2.gz XBIIKPNTOFKHKO-UHFFFAOYSA-N 0 0 438.528 3.587 50 0 IHAARN O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)NCc1ccc(F)cc1 ZINC000065232501 569119102 /nfs/dbraw/zinc/11/91/02/569119102.db2.gz NZWJCKGWKVMVLY-UHFFFAOYSA-N 0 0 426.498 3.551 50 0 IHAARN CC[C@@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)no1 ZINC000065235836 569119445 /nfs/dbraw/zinc/11/94/45/569119445.db2.gz OOFWPCSHKVAKHD-HXUWFJFHSA-N 0 0 446.555 3.976 50 0 IHAARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000036579825 569119605 /nfs/dbraw/zinc/11/96/05/569119605.db2.gz NUNSYMMDKWBLQK-NZQKXSOJSA-N 0 0 448.548 3.661 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3sccc3C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239194 569120100 /nfs/dbraw/zinc/12/01/00/569120100.db2.gz RVNRSMXWFXUEHS-UHFFFAOYSA-N 0 0 443.594 3.732 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(C)s3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239389 569120493 /nfs/dbraw/zinc/12/04/93/569120493.db2.gz BIWBHUOIIYPXIU-UHFFFAOYSA-N 0 0 447.557 3.517 50 0 IHAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000065242421 569121347 /nfs/dbraw/zinc/12/13/47/569121347.db2.gz RSWAFNYZROGYSQ-KRWDZBQOSA-N 0 0 427.549 3.951 50 0 IHAARN O=S(=O)(c1cc(-c2nnc(C3CCCC3)o2)co1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065246700 569121885 /nfs/dbraw/zinc/12/18/85/569121885.db2.gz MIVMPLTXBWAFIL-UHFFFAOYSA-N 0 0 446.504 3.637 50 0 IHAARN Cc1cc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c2cnn(C)c2n1 ZINC000036616712 569122896 /nfs/dbraw/zinc/12/28/96/569122896.db2.gz PGZRWBXGARJZCY-UHFFFAOYSA-N 0 0 443.280 3.675 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613312 569123725 /nfs/dbraw/zinc/12/37/25/569123725.db2.gz LCTYQBNHOUNIMO-HNNXBMFYSA-N 0 0 446.555 3.832 50 0 IHAARN CCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000065257985 569124224 /nfs/dbraw/zinc/12/42/24/569124224.db2.gz HTKVOSAOTYGGBQ-UHFFFAOYSA-N 0 0 429.883 3.839 50 0 IHAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 ZINC000065258074 569124377 /nfs/dbraw/zinc/12/43/77/569124377.db2.gz SFLXWQYSPKOOMW-UHFFFAOYSA-N 0 0 434.544 3.503 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000013134461 569125556 /nfs/dbraw/zinc/12/55/56/569125556.db2.gz VDWODXCHPVASFK-QGZVFWFLSA-N 0 0 444.553 3.805 50 0 IHAARN CCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccccc4C)CC3)CC2)ncn1 ZINC000065274048 569128292 /nfs/dbraw/zinc/12/82/92/569128292.db2.gz BMAZINORBBVRTQ-UHFFFAOYSA-N 0 0 436.604 3.562 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(C(C)C)c2)CC3)CC1 ZINC000065273359 569129519 /nfs/dbraw/zinc/12/95/19/569129519.db2.gz XXTZWYROWXPGDR-SFHVURJKSA-N 0 0 426.586 3.679 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC3)CC1 ZINC000065273443 569129525 /nfs/dbraw/zinc/12/95/25/569129525.db2.gz NHHXZJKTBKUCNN-HNNXBMFYSA-N 0 0 447.004 3.907 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)c(C)c2)CC3)CC1 ZINC000065273553 569129703 /nfs/dbraw/zinc/12/97/03/569129703.db2.gz GQUHAZJMGKQJSB-HNNXBMFYSA-N 0 0 447.004 3.907 50 0 IHAARN Cc1oc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1C(=O)N1CCC(C)CC1 ZINC000065293838 569130935 /nfs/dbraw/zinc/13/09/35/569130935.db2.gz DWMWJXIPGIDOSO-UHFFFAOYSA-N 0 0 433.574 3.631 50 0 IHAARN Cc1cc(NC(=O)Cn2ncc3c2ncnc3N2CCC(C)CC2)ccc1Br ZINC000065295561 569131521 /nfs/dbraw/zinc/13/15/21/569131521.db2.gz FFKSVDZDZVLFLK-UHFFFAOYSA-N 0 0 443.349 3.772 50 0 IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)NCc1cc(F)ccc1F ZINC000065307576 569132365 /nfs/dbraw/zinc/13/23/65/569132365.db2.gz CNTWYOVEUBBCPJ-HXUWFJFHSA-N 0 0 425.410 3.903 50 0 IHAARN CC(C)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1 ZINC000065304956 569132914 /nfs/dbraw/zinc/13/29/14/569132914.db2.gz IGPOBLRGWSXLSE-UHFFFAOYSA-N 0 0 435.977 3.855 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000036691858 569133883 /nfs/dbraw/zinc/13/38/83/569133883.db2.gz GIZGZKNJFDBDAJ-UHFFFAOYSA-N 0 0 434.452 3.972 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)CC1 ZINC000065315313 569133995 /nfs/dbraw/zinc/13/39/95/569133995.db2.gz GWVGIDNPJIALMI-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1 ZINC000065315452 569134028 /nfs/dbraw/zinc/13/40/28/569134028.db2.gz HCSPVSHPGYPMOW-UHFFFAOYSA-N 0 0 429.565 3.767 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 ZINC000036705263 569134374 /nfs/dbraw/zinc/13/43/74/569134374.db2.gz KMGXQEXMLUEZRV-MRXNPFEDSA-N 0 0 447.557 3.845 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC4CCCCCC4)n3)cc2)CC1 ZINC000065319181 569134764 /nfs/dbraw/zinc/13/47/64/569134764.db2.gz DYKCSNYCJZACPF-UHFFFAOYSA-N 0 0 446.573 3.610 50 0 IHAARN CCCn1c(=O)c2sc(N3CCCCC3)nc2nc1SCC(=O)Nc1ccccc1 ZINC000065319486 569134933 /nfs/dbraw/zinc/13/49/33/569134933.db2.gz KXUIGYBGIHXSBV-UHFFFAOYSA-N 0 0 443.598 3.984 50 0 IHAARN O=C(c1cc2c(s1)CCCC2)N1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065313067 569135101 /nfs/dbraw/zinc/13/51/01/569135101.db2.gz XPHFFUSNZNMLBM-UHFFFAOYSA-N 0 0 435.475 3.651 50 0 IHAARN COc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000065315098 569135672 /nfs/dbraw/zinc/13/56/72/569135672.db2.gz TYDMOKHSPOBECG-UHFFFAOYSA-N 0 0 431.558 3.616 50 0 IHAARN CS(=O)(=O)NCC1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000036709681 569135826 /nfs/dbraw/zinc/13/58/26/569135826.db2.gz MANFWECMQUZMGE-UHFFFAOYSA-N 0 0 428.598 3.680 50 0 IHAARN COC(=O)c1ccc(CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)o1 ZINC000036708509 569135908 /nfs/dbraw/zinc/13/59/08/569135908.db2.gz AAEHETKIHDQEHT-UHFFFAOYSA-N 0 0 428.489 3.614 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)c(C)c1 ZINC000065319808 569135929 /nfs/dbraw/zinc/13/59/29/569135929.db2.gz SCBORWFLXHYWBE-UHFFFAOYSA-N 0 0 443.598 3.646 50 0 IHAARN CCCCNC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(Cl)cc1 ZINC000065321346 569136502 /nfs/dbraw/zinc/13/65/02/569136502.db2.gz NXTLDRVKOWWLQS-UHFFFAOYSA-N 0 0 447.992 3.631 50 0 IHAARN CCC[C@H](C)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000036885034 569138705 /nfs/dbraw/zinc/13/87/05/569138705.db2.gz HJZOANJVZHTLCR-CECAUBDESA-N 0 0 428.554 3.999 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 ZINC000065492592 569138840 /nfs/dbraw/zinc/13/88/40/569138840.db2.gz KEEUQUCYMGMEOJ-UHFFFAOYSA-N 0 0 433.430 3.703 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)CCCC2)c1 ZINC000065521972 569139165 /nfs/dbraw/zinc/13/91/65/569139165.db2.gz PGMVRMBGQWGFNO-KRWDZBQOSA-N 0 0 440.565 3.762 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1 ZINC000065565656 569139412 /nfs/dbraw/zinc/13/94/12/569139412.db2.gz ZHZFTHXALJFIGR-PGRDOPGGSA-N 0 0 448.527 3.691 50 0 IHAARN NC(=O)C1CCN(C2CN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)CC1 ZINC000239593123 569139679 /nfs/dbraw/zinc/13/96/79/569139679.db2.gz DQDGMJXRWAMRAM-UHFFFAOYSA-N 0 0 432.351 3.682 50 0 IHAARN CCN(CC)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cn1 ZINC000065567337 569139770 /nfs/dbraw/zinc/13/97/70/569139770.db2.gz DQXHNHNUDIPRFW-MRXNPFEDSA-N 0 0 426.439 3.508 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037181190 569140717 /nfs/dbraw/zinc/14/07/17/569140717.db2.gz DOZBKLMEJWOGOJ-ZWKOTPCHSA-N 0 0 437.565 3.774 50 0 IHAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000170595945 569141551 /nfs/dbraw/zinc/14/15/51/569141551.db2.gz JOBKIPLYEJEMHH-JENIJYKNSA-N 0 0 446.569 3.507 50 0 IHAARN CO[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)CC[C@H]1C ZINC000170603463 569143622 /nfs/dbraw/zinc/14/36/22/569143622.db2.gz GKVOPNLZNXLSGD-DNVCBOLYSA-N 0 0 436.961 3.662 50 0 IHAARN Cc1c(NCC(=O)N2CCSc3ccccc32)cccc1C(=O)N1CCSCC1 ZINC000170605781 569143710 /nfs/dbraw/zinc/14/37/10/569143710.db2.gz YFMUPZUNDMCUJU-UHFFFAOYSA-N 0 0 427.595 3.735 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1C ZINC000037263742 569144546 /nfs/dbraw/zinc/14/45/46/569144546.db2.gz FAIINTQZAPLNGZ-SFHVURJKSA-N 0 0 445.494 3.786 50 0 IHAARN O=C(NCc1cccnc1)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037288591 569146132 /nfs/dbraw/zinc/14/61/32/569146132.db2.gz AICWRWNLPPXHFI-UHFFFAOYSA-N 0 0 432.499 3.550 50 0 IHAARN CC(C)Cc1nc2cc(NC(=O)CC[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc2[nH]1 ZINC000170625627 569148476 /nfs/dbraw/zinc/14/84/76/569148476.db2.gz ZDJXSFRHYNTCTD-FQEVSTJZSA-N 0 0 447.539 3.643 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1Cl ZINC000009761562 569148987 /nfs/dbraw/zinc/14/89/87/569148987.db2.gz XPYVJYNUZGYEOY-UHFFFAOYSA-N 0 0 437.855 3.904 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000009882334 569149692 /nfs/dbraw/zinc/14/96/92/569149692.db2.gz QBDLYEKBRSEKJS-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN O=C(CCc1c[nH]c2ccccc12)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000009882978 569149856 /nfs/dbraw/zinc/14/98/56/569149856.db2.gz UICLYCVFUIFMEW-UHFFFAOYSA-N 0 0 426.270 3.614 50 0 IHAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)s1 ZINC000009883321 569150008 /nfs/dbraw/zinc/15/00/08/569150008.db2.gz FXEADBRULZSFFM-UHFFFAOYSA-N 0 0 432.596 3.938 50 0 IHAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009883869 569150180 /nfs/dbraw/zinc/15/01/80/569150180.db2.gz QSFXGSLHVGVAAP-LPHOPBHVSA-N 0 0 436.533 3.738 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1 ZINC000071284607 569150790 /nfs/dbraw/zinc/15/07/90/569150790.db2.gz HCVYUTNISDHQTG-UHFFFAOYSA-N 0 0 444.535 3.544 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000010026880 569151666 /nfs/dbraw/zinc/15/16/66/569151666.db2.gz JHHOCKROYGIKSV-UHFFFAOYSA-N 0 0 429.505 3.917 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000010025618 569151692 /nfs/dbraw/zinc/15/16/92/569151692.db2.gz VLFIWOBYSCHZCJ-HXUWFJFHSA-N 0 0 448.610 3.911 50 0 IHAARN CC(C)OCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119439 569152683 /nfs/dbraw/zinc/15/26/83/569152683.db2.gz JOVNJQZCBPGYDZ-UHFFFAOYSA-N 0 0 436.961 3.636 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119444 569152743 /nfs/dbraw/zinc/15/27/43/569152743.db2.gz ZNVVSYMSHUYPFP-CYBMUJFWSA-N 0 0 437.359 3.729 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000010216254 569153129 /nfs/dbraw/zinc/15/31/29/569153129.db2.gz BEOBPJAKMHNDBA-CPJLOUKISA-N 0 0 437.515 3.739 50 0 IHAARN O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1cccc2ccccc21 ZINC000010255382 569154068 /nfs/dbraw/zinc/15/40/68/569154068.db2.gz ALEVUQHKLFUVIY-KRWDZBQOSA-N 0 0 435.549 3.795 50 0 IHAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000010460812 569154797 /nfs/dbraw/zinc/15/47/97/569154797.db2.gz VKUBFGWRPOJYHA-UHFFFAOYSA-N 0 0 441.582 3.612 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(F)cc4)sc3C2)cc1 ZINC000013360361 569155240 /nfs/dbraw/zinc/15/52/40/569155240.db2.gz WSUUUXKZDFIWMR-UHFFFAOYSA-N 0 0 431.514 3.590 50 0 IHAARN COc1ccccc1NC(=O)Cn1nc2c3scc(-c4ccc(F)cc4)c3ncn2c1=O ZINC000013350011 569155260 /nfs/dbraw/zinc/15/52/60/569155260.db2.gz ULEIEDLTKUKARF-UHFFFAOYSA-N 0 0 449.467 3.559 50 0 IHAARN C[C@@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(Cl)c1 ZINC000013572503 569155670 /nfs/dbraw/zinc/15/56/70/569155670.db2.gz KMMQYOMPVVOGJD-KFWWJZLASA-N 0 0 448.013 3.966 50 0 IHAARN COc1cc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc(OC)c1 ZINC000013611263 569156478 /nfs/dbraw/zinc/15/64/78/569156478.db2.gz QGFMTBGHHVGJNA-UHFFFAOYSA-N 0 0 435.484 3.641 50 0 IHAARN C[C@H](OC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2)C(=O)Nc1ncccn1 ZINC000014045419 569157526 /nfs/dbraw/zinc/15/75/26/569157526.db2.gz LCLDUJWTNRAWGQ-ZDUSSCGKSA-N 0 0 442.541 3.730 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000014046057 569157691 /nfs/dbraw/zinc/15/76/91/569157691.db2.gz PSVMDDXLIIFJMZ-UHFFFAOYSA-N 0 0 445.292 3.997 50 0 IHAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000014506288 569159225 /nfs/dbraw/zinc/15/92/25/569159225.db2.gz LKTKAAGQSJQTLQ-UHFFFAOYSA-N 0 0 438.487 3.859 50 0 IHAARN COC(=O)c1ccc(OC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000089637196 569160249 /nfs/dbraw/zinc/16/02/49/569160249.db2.gz ATWNWKXTVGMDNC-UHFFFAOYSA-N 0 0 439.489 3.826 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000016740738 569160845 /nfs/dbraw/zinc/16/08/45/569160845.db2.gz NAQPDMFXSQWJMM-FGGAIWKESA-N 0 0 432.545 3.532 50 0 IHAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)cc1 ZINC000016842754 569163507 /nfs/dbraw/zinc/16/35/07/569163507.db2.gz SSVBJFRMBYOMSN-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2cccc(Br)c2)no1 ZINC000016845635 569163933 /nfs/dbraw/zinc/16/39/33/569163933.db2.gz NLGQSJOJOUFWRI-UHFFFAOYSA-N 0 0 427.233 3.910 50 0 IHAARN CCOc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCOC)n2)cc1 ZINC000016845806 569163940 /nfs/dbraw/zinc/16/39/40/569163940.db2.gz NBLROYVQYQDNIL-UHFFFAOYSA-N 0 0 444.538 3.845 50 0 IHAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000016849663 569164483 /nfs/dbraw/zinc/16/44/83/569164483.db2.gz MVOZZDLERUOKFT-UHFFFAOYSA-N 0 0 441.535 3.719 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)c(OC)c1 ZINC000016944684 569166900 /nfs/dbraw/zinc/16/69/00/569166900.db2.gz QVGRKDZLZFYVTH-UHFFFAOYSA-N 0 0 429.498 3.638 50 0 IHAARN O=S(=O)(c1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1)N1CCOCC1 ZINC000016941086 569166961 /nfs/dbraw/zinc/16/69/61/569166961.db2.gz AMBMPNAZSYHQQP-UHFFFAOYSA-N 0 0 433.530 3.582 50 0 IHAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Cl)cc4)n3n2)cc1 ZINC000016954903 569167673 /nfs/dbraw/zinc/16/76/73/569167673.db2.gz OVZPUNMWFCWVOY-UHFFFAOYSA-N 0 0 448.957 3.641 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN(Cc1ccc(N3CCC[C@H]3C)nc1)C(C)C)[nH]c2=O ZINC000089929875 569167917 /nfs/dbraw/zinc/16/79/17/569167917.db2.gz NHQULQBHGBGQLV-QGZVFWFLSA-N 0 0 449.555 3.504 50 0 IHAARN CCCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2c(C)nn(CC)c2C)cc1OC ZINC000089953475 569168710 /nfs/dbraw/zinc/16/87/10/569168710.db2.gz HRULBYHZIKBLHD-HNNXBMFYSA-N 0 0 430.549 3.913 50 0 IHAARN CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)c1ccc(CNC(C)=O)o1 ZINC000089960808 569169127 /nfs/dbraw/zinc/16/91/27/569169127.db2.gz MUIDLRUEUWMUDF-GOSISDBHSA-N 0 0 441.311 3.989 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)c(C)c1 ZINC000016994292 569169760 /nfs/dbraw/zinc/16/97/60/569169760.db2.gz BSCHAXXPUIEBJH-UHFFFAOYSA-N 0 0 432.596 3.966 50 0 IHAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NCc4ccccc4)c3=O)n2)cc1 ZINC000017011477 569170348 /nfs/dbraw/zinc/17/03/48/569170348.db2.gz QBHUKMYVDAWKQT-UHFFFAOYSA-N 0 0 444.491 3.507 50 0 IHAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2cc(C)cc(C)c2)n1 ZINC000017010709 569170374 /nfs/dbraw/zinc/17/03/74/569170374.db2.gz FLWYZIUTPCVCSI-UHFFFAOYSA-N 0 0 427.508 3.968 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)c(OC)c1 ZINC000017042598 569171609 /nfs/dbraw/zinc/17/16/09/569171609.db2.gz SICHTHJLDCTSHO-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017050925 569171761 /nfs/dbraw/zinc/17/17/61/569171761.db2.gz BCDMADCWWTUJTB-QFIPXVFZSA-N 0 0 443.544 3.569 50 0 IHAARN COc1c(C)cc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)c(C)c1C ZINC000017051727 569171891 /nfs/dbraw/zinc/17/18/91/569171891.db2.gz OLKKNPWXBPUIJD-UHFFFAOYSA-N 0 0 441.553 3.743 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)C[C@@H]2C)cc1 ZINC000037356610 569172255 /nfs/dbraw/zinc/17/22/55/569172255.db2.gz GPWXPUZJXWUGML-KRWDZBQOSA-N 0 0 442.516 3.616 50 0 IHAARN Cc1cc(F)ccc1Oc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)ncn1 ZINC000037357195 569173158 /nfs/dbraw/zinc/17/31/58/569173158.db2.gz RFBUGCVEEAPVFP-QGZVFWFLSA-N 0 0 442.516 3.616 50 0 IHAARN NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)CC1 ZINC000017170577 569175478 /nfs/dbraw/zinc/17/54/78/569175478.db2.gz XYJPFWIWMIUSSM-UHFFFAOYSA-N 0 0 438.915 3.607 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000002869472 569177488 /nfs/dbraw/zinc/17/74/88/569177488.db2.gz YXCCLCZBQSJBCF-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002092277 569178845 /nfs/dbraw/zinc/17/88/45/569178845.db2.gz KFVRFXPTZCOWKF-HXUWFJFHSA-N 0 0 443.521 3.716 50 0 biogenic IHAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002096184 569179197 /nfs/dbraw/zinc/17/91/97/569179197.db2.gz GOPRETXYMFPZDN-OYHNWAKOSA-N 0 0 443.521 3.708 50 0 IHAARN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)COc1cc(Cl)c(Cl)cc1Cl)CC2 ZINC000170639113 569179557 /nfs/dbraw/zinc/17/95/57/569179557.db2.gz HHUKTVRCOQKBSZ-UHFFFAOYSA-N 0 0 449.743 3.523 50 0 IHAARN COc1ccccc1-c1nc(C(=O)NCCCN2CCOCC2)cc2c3ccccc3[nH]c21 ZINC000002113543 569182072 /nfs/dbraw/zinc/18/20/72/569182072.db2.gz AKRZBCWJQQJSSC-UHFFFAOYSA-N 0 0 444.535 3.844 50 0 biogenic IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000025762692 569182322 /nfs/dbraw/zinc/18/23/22/569182322.db2.gz FCVLOLMWNUASKO-UHFFFAOYSA-N 0 0 435.476 3.795 50 0 IHAARN COc1cc(-c2cc(C(=O)NC[C@@H]3CCCN3c3ccccc3)[nH]n2)cc(OC)c1OC ZINC000207992526 569183654 /nfs/dbraw/zinc/18/36/54/569183654.db2.gz OSBRZEBEHCTYIH-SFHVURJKSA-N 0 0 436.512 3.501 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252458386 569184417 /nfs/dbraw/zinc/18/44/17/569184417.db2.gz DYVFDWGLHXSYHP-NJYSJTHYSA-N 0 0 429.561 3.803 50 0 IHAARN Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3-c3csc(C)n3)n2)n1 ZINC000208010207 569184682 /nfs/dbraw/zinc/18/46/82/569184682.db2.gz VWYANNVKYWORFF-OAHLLOKOSA-N 0 0 434.525 3.677 50 0 IHAARN CC(C)C[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000252485276 569186596 /nfs/dbraw/zinc/18/65/96/569186596.db2.gz GPZZYTKRCASDPB-OAQYLSRUSA-N 0 0 431.540 3.967 50 0 IHAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002147307 569186998 /nfs/dbraw/zinc/18/69/98/569186998.db2.gz PGEPMAKQHFTJEB-FQEVSTJZSA-N 0 0 443.521 3.771 50 0 biogenic IHAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002147975 569187081 /nfs/dbraw/zinc/18/70/81/569187081.db2.gz NVWCLVOUKONUCQ-GOSISDBHSA-N 0 0 443.521 3.689 50 0 biogenic IHAARN O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2cccs2)cs1 ZINC000252572588 569191227 /nfs/dbraw/zinc/19/12/27/569191227.db2.gz ZLOUHXOPGKWJDE-CYBMUJFWSA-N 0 0 430.486 3.664 50 0 IHAARN Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002196000 569191344 /nfs/dbraw/zinc/19/13/44/569191344.db2.gz USVRUZJTZAUWCM-CQSZACIVSA-N 0 0 442.928 3.832 50 0 IHAARN CCN1CCN(C(=O)CCN(CC(C)C)c2nc(-c3ccco3)nc3ccccc32)CC1 ZINC000037382444 569191857 /nfs/dbraw/zinc/19/18/57/569191857.db2.gz NQYNBUJDJIEGIV-UHFFFAOYSA-N 0 0 435.572 3.906 50 0 IHAARN CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002206302 569193542 /nfs/dbraw/zinc/19/35/42/569193542.db2.gz DYMQMIZMCASCOW-UHFFFAOYSA-N 0 0 431.496 3.864 50 0 IHAARN O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2ccc(Cl)cc21)Nc1ccc(F)cc1 ZINC000037399108 569194271 /nfs/dbraw/zinc/19/42/71/569194271.db2.gz FKCGNOYVMPNZLX-UHFFFAOYSA-N 0 0 441.821 3.723 50 0 IHAARN COc1nc(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)cc2ccccc21 ZINC000170682956 569195466 /nfs/dbraw/zinc/19/54/66/569195466.db2.gz PXRKLPTWLVTWBH-UWJYYQICSA-N 0 0 429.480 3.631 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](CC)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037423630 569195658 /nfs/dbraw/zinc/19/56/58/569195658.db2.gz FEPJUGSIKQTTBJ-UGSOOPFHSA-N 0 0 431.895 3.811 50 0 IHAARN O=C(CCNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1ccccn1 ZINC000037426220 569195755 /nfs/dbraw/zinc/19/57/55/569195755.db2.gz IKVHXRPRVORLNK-UHFFFAOYSA-N 0 0 449.458 3.737 50 0 IHAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)NC(C)C)c1 ZINC000037442097 569197039 /nfs/dbraw/zinc/19/70/39/569197039.db2.gz RVMOAFNBKHXFJS-FQEVSTJZSA-N 0 0 441.528 3.826 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037511284 569197968 /nfs/dbraw/zinc/19/79/68/569197968.db2.gz UVIOEDNJBFOULU-HUUCEWRRSA-N 0 0 444.915 3.630 50 0 IHAARN CCCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3cc(C)ccc3C)cc21 ZINC000037512888 569198156 /nfs/dbraw/zinc/19/81/56/569198156.db2.gz DNLNJHFTTDQFGI-UHFFFAOYSA-N 0 0 438.524 3.597 50 0 IHAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000037524253 569198626 /nfs/dbraw/zinc/19/86/26/569198626.db2.gz DKAIRAZHDJTWRU-JOCHJYFZSA-N 0 0 435.568 3.557 50 0 IHAARN CC1CCN(C(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000037525703 569199202 /nfs/dbraw/zinc/19/92/02/569199202.db2.gz NHIBSMVDCJMKKB-UHFFFAOYSA-N 0 0 441.597 3.506 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc2sc(Br)cc2n1C[C@@H]1CCCCO1 ZINC000037542073 569199737 /nfs/dbraw/zinc/19/97/37/569199737.db2.gz QDSVCOSVPZSJFB-STQMWFEESA-N 0 0 427.364 3.943 50 0 IHAARN COc1ccc(C(=O)N2CCCN(c3nc4ccccc4c4nnc(C5CC5)n43)CC2)cc1 ZINC000037554445 569200453 /nfs/dbraw/zinc/20/04/53/569200453.db2.gz GUWRHIKMMGMAOQ-UHFFFAOYSA-N 0 0 442.523 3.516 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(C)cc(=O)c3cc(Br)ccc32)cc1 ZINC000002210510 569201058 /nfs/dbraw/zinc/20/10/58/569201058.db2.gz WHSPDPMEDPDJRW-UHFFFAOYSA-N 0 0 443.297 3.888 50 0 IHAARN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037580768 569201971 /nfs/dbraw/zinc/20/19/71/569201971.db2.gz VLMQGBDNPRQBRN-UHFFFAOYSA-N 0 0 434.483 3.626 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000002223181 569204698 /nfs/dbraw/zinc/20/46/98/569204698.db2.gz BBQZDGCBMHQBPP-UHFFFAOYSA-N 0 0 439.468 3.892 50 0 IHAARN COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089788 569205746 /nfs/dbraw/zinc/20/57/46/569205746.db2.gz UBIFNTSFWNUHPJ-AWEZNQCLSA-N 0 0 428.441 3.524 50 0 IHAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000007848707 569205786 /nfs/dbraw/zinc/20/57/86/569205786.db2.gz UGYYVTFLJYJRSL-GOSISDBHSA-N 0 0 426.948 3.933 50 0 IHAARN COCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002228035 569207933 /nfs/dbraw/zinc/20/79/33/569207933.db2.gz WNRYBCZRSFOGLB-UHFFFAOYSA-N 0 0 430.295 3.839 50 0 IHAARN CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252675846 569210299 /nfs/dbraw/zinc/21/02/99/569210299.db2.gz VGPMBGLFJOPDLY-DOTOQJQBSA-N 0 0 427.364 3.892 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CS(=O)(=O)C3)cc1 ZINC000003008535 569212971 /nfs/dbraw/zinc/21/29/71/569212971.db2.gz RENVCCJFOUANFV-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN COc1cc(OC)cc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 ZINC000002247056 569214539 /nfs/dbraw/zinc/21/45/39/569214539.db2.gz WICJWUNIFPNFHG-UHFFFAOYSA-N 0 0 431.496 3.846 50 0 IHAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCCO2 ZINC000002254985 569216781 /nfs/dbraw/zinc/21/67/81/569216781.db2.gz DYEHJMZRLKRADQ-UHFFFAOYSA-N 0 0 429.480 3.600 50 0 IHAARN COc1cc(/C=c2/sc3nc4c(cc(C)cc4C)n3c2=O)cc(Br)c1O ZINC000027520645 569218112 /nfs/dbraw/zinc/21/81/12/569218112.db2.gz GVKFYUUKRPNKQT-OVCLIPMQSA-N 0 0 431.311 3.550 50 0 IHAARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000257347274 569263048 /nfs/dbraw/zinc/26/30/48/569263048.db2.gz CDKRMWAXMJVXDE-VXGRVMGXSA-N 0 0 432.557 3.743 50 0 IHAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253394755 569264581 /nfs/dbraw/zinc/26/45/81/569264581.db2.gz AFZHRHRWBRBYAY-IBGZPJMESA-N 0 0 443.455 3.652 50 0 biogenic IHAARN COc1cc(-c2nc3ccccc3c(=O)n2NCc2ccccc2F)cc(OC)c1OC ZINC000027532160 569266451 /nfs/dbraw/zinc/26/64/51/569266451.db2.gz RKILFMJLHOWPAQ-UHFFFAOYSA-N 0 0 435.455 3.972 50 0 IHAARN Cn1cnc(-c2ccc(NC(=O)c3c(F)ccc(S(=O)(=O)C4CCCC4)c3F)cc2)n1 ZINC000253418681 569266708 /nfs/dbraw/zinc/26/67/08/569266708.db2.gz YYBJYBAKZMDQBO-UHFFFAOYSA-N 0 0 446.479 3.729 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)c3cnc(C4OCCO4)s3)cc2C1=O ZINC000253419814 569266811 /nfs/dbraw/zinc/26/68/11/569266811.db2.gz SHWGHNJWBDWRFW-LBPRGKRZSA-N 0 0 430.482 3.503 50 0 IHAARN Cc1ccn2cc(C(=O)O[C@@H]3CCCC[C@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1 ZINC000253428975 569267661 /nfs/dbraw/zinc/26/76/61/569267661.db2.gz BOWUWKZKWHRDTR-WOJBJXKFSA-N 0 0 432.480 3.924 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002298126 569268374 /nfs/dbraw/zinc/26/83/74/569268374.db2.gz NIXBYPLLRWVKOV-FBHQFGEZSA-N 0 0 432.545 3.532 50 0 IHAARN Cc1cc(NC(=O)c2cc(Cl)nc(N(C)C)c2)c(C(=O)NCC(F)(F)F)cc1F ZINC000253432119 569269148 /nfs/dbraw/zinc/26/91/48/569269148.db2.gz WMOSAKTYTXNCPP-UHFFFAOYSA-N 0 0 432.805 3.793 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000253433655 569269900 /nfs/dbraw/zinc/26/99/00/569269900.db2.gz ZTQSUIMTSVFBAV-LEWJYISDSA-N 0 0 443.588 3.625 50 0 IHAARN COCCNC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002301783 569271469 /nfs/dbraw/zinc/27/14/69/569271469.db2.gz RZODMPHKMWQQHB-NWDGAFQWSA-N 0 0 447.255 3.682 50 0 IHAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCN(c3ccccn3)CC2)cc1C ZINC000027550263 569272028 /nfs/dbraw/zinc/27/20/28/569272028.db2.gz LVNNMOGZWXGUKK-XLNRJJMWSA-N 0 0 446.576 3.880 50 0 IHAARN COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000002340681 569275026 /nfs/dbraw/zinc/27/50/26/569275026.db2.gz ISQGOHVTSZVMGX-IBGZPJMESA-N 0 0 429.856 3.661 50 0 IHAARN Cc1cn(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000253496493 569283151 /nfs/dbraw/zinc/28/31/51/569283151.db2.gz HASJNHZUZNABTN-DEOSSOPVSA-N 0 0 442.515 3.627 50 0 IHAARN Cc1c(C(=O)OC(C)C)sc(NC(=S)NC(=O)c2ccncc2)c1C(=O)OC(C)C ZINC000002374462 569289353 /nfs/dbraw/zinc/28/93/53/569289353.db2.gz KSTIBASYKCXKCE-UHFFFAOYSA-N 0 0 449.554 3.709 50 0 IHAARN COc1cccc(CNC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000009254916 569294832 /nfs/dbraw/zinc/29/48/32/569294832.db2.gz WMSCCTNLKYOVLP-VAWYXSNFSA-N 0 0 437.471 3.510 50 0 IHAARN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)n(-c2ccccc2)n1 ZINC000009633127 569297427 /nfs/dbraw/zinc/29/74/27/569297427.db2.gz KJWGNWJFCBKYJL-FMIVXFBMSA-N 0 0 427.407 3.977 50 0 IHAARN COC(=O)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002399243 569298964 /nfs/dbraw/zinc/29/89/64/569298964.db2.gz PNWBUBKLBCFBAN-UHFFFAOYSA-N 0 0 431.496 3.718 50 0 IHAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NCCOCCO ZINC000002414143 569301312 /nfs/dbraw/zinc/30/13/12/569301312.db2.gz VWRKXZJQMQDIMX-UHFFFAOYSA-N 0 0 440.525 3.772 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1NC(C)=O ZINC000012945302 569305110 /nfs/dbraw/zinc/30/51/10/569305110.db2.gz DLZXEDGYHFKRMK-UHFFFAOYSA-N 0 0 433.711 3.870 50 0 IHAARN CSc1cccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c1 ZINC000012977236 569305636 /nfs/dbraw/zinc/30/56/36/569305636.db2.gz XYXBGRWNNNMGIT-UHFFFAOYSA-N 0 0 440.594 3.915 50 0 IHAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012989206 569305924 /nfs/dbraw/zinc/30/59/24/569305924.db2.gz JLBIXAJGMKAXRA-HXUWFJFHSA-N 0 0 430.526 3.947 50 0 IHAARN CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)c1 ZINC000013009002 569306546 /nfs/dbraw/zinc/30/65/46/569306546.db2.gz JFENBYSQZDOBFI-SFHVURJKSA-N 0 0 438.480 3.907 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)ccc1OC ZINC000013015099 569307019 /nfs/dbraw/zinc/30/70/19/569307019.db2.gz IYSSIFNFBRGCKJ-QHCPKHFHSA-N 0 0 438.549 3.740 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000013039084 569307859 /nfs/dbraw/zinc/30/78/59/569307859.db2.gz SVKJHJYETPLDDP-INIZCTEOSA-N 0 0 446.503 3.750 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3n[nH]nc3c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013112996 569310501 /nfs/dbraw/zinc/31/05/01/569310501.db2.gz BOFBGSKMHDZEFS-UHFFFAOYSA-N 0 0 441.900 3.973 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)c1ccccc1 ZINC000013117048 569310921 /nfs/dbraw/zinc/31/09/21/569310921.db2.gz XWMXYKLMMPRVGC-UHFFFAOYSA-N 0 0 442.928 3.894 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C ZINC000013149459 569312267 /nfs/dbraw/zinc/31/22/67/569312267.db2.gz VZIMUJISUCWBPZ-KRWDZBQOSA-N 0 0 429.476 3.822 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1 ZINC000013361147 569314122 /nfs/dbraw/zinc/31/41/22/569314122.db2.gz NDQYHSLVLQHSAJ-UHFFFAOYSA-N 0 0 439.522 3.718 50 0 IHAARN CCc1nn2c(nc(COc3ccc(NC(=O)c4cccc(OC)c4)cc3)cc2=O)s1 ZINC000013368166 569314607 /nfs/dbraw/zinc/31/46/07/569314607.db2.gz ZXQOKBLLQHOFKT-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000013370265 569314915 /nfs/dbraw/zinc/31/49/15/569314915.db2.gz GIPPJLQGCNSCRF-UHFFFAOYSA-N 0 0 432.571 3.518 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000013370290 569314917 /nfs/dbraw/zinc/31/49/17/569314917.db2.gz ZAYZZYRWWUVXKA-UHFFFAOYSA-N 0 0 446.598 3.514 50 0 IHAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccco1)NCCc1ccccc1 ZINC000013423986 569316062 /nfs/dbraw/zinc/31/60/62/569316062.db2.gz AWMYHQCAZRDGNU-NRFANRHFSA-N 0 0 433.533 3.531 50 0 IHAARN COc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 ZINC000019220870 569316622 /nfs/dbraw/zinc/31/66/22/569316622.db2.gz KSEGNKVLSCBZTG-UHFFFAOYSA-N 0 0 427.451 3.895 50 0 IHAARN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCOc3ccccc32)c1Cl ZINC000078869532 569319548 /nfs/dbraw/zinc/31/95/48/569319548.db2.gz NTSMOCMMPYLLTI-AWEZNQCLSA-N 0 0 444.336 3.667 50 0 IHAARN COc1ccc(CN(C(=O)c2oc(Br)cc2C)c2cnn(C)c2)c(OC)c1 ZINC000078879108 569320028 /nfs/dbraw/zinc/32/00/28/569320028.db2.gz YUOXLOSCBCVYBD-UHFFFAOYSA-N 0 0 434.290 3.948 50 0 IHAARN O=C(CCCNC(=O)OCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000078975703 569321105 /nfs/dbraw/zinc/32/11/05/569321105.db2.gz JCBBBJPSOBWUPY-ISKFKSNPSA-N 0 0 432.524 3.935 50 0 IHAARN COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cs1 ZINC000019537198 569321219 /nfs/dbraw/zinc/32/12/19/569321219.db2.gz RBZCFDXZEHXXBU-UHFFFAOYSA-N 0 0 440.544 3.714 50 0 IHAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)CC(C)(C)O)cc1 ZINC000078995206 569321600 /nfs/dbraw/zinc/32/16/00/569321600.db2.gz MGVIABQCKPCSFJ-UHFFFAOYSA-N 0 0 432.586 3.936 50 0 IHAARN CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H](O)c1ccccc1F ZINC000078994769 569321612 /nfs/dbraw/zinc/32/16/12/569321612.db2.gz YVSBCHPIIDHMSB-NZQKXSOJSA-N 0 0 427.472 3.810 50 0 IHAARN C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000079014474 569321990 /nfs/dbraw/zinc/32/19/90/569321990.db2.gz GSZWQCWLILYVOU-INIZCTEOSA-N 0 0 428.485 3.710 50 0 IHAARN Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000079021176 569322366 /nfs/dbraw/zinc/32/23/66/569322366.db2.gz UTTZZMSIMQBJJL-YOEHRIQHSA-N 0 0 445.520 3.927 50 0 IHAARN O=C(Nc1ccc2n[nH]nc2c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000079021388 569322510 /nfs/dbraw/zinc/32/25/10/569322510.db2.gz RXLKLKOQFQCDOB-UHFFFAOYSA-N 0 0 427.873 3.664 50 0 IHAARN Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000079021190 569322550 /nfs/dbraw/zinc/32/25/50/569322550.db2.gz UTTZZMSIMQBJJL-PBHICJAKSA-N 0 0 445.520 3.927 50 0 IHAARN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000079096283 569325347 /nfs/dbraw/zinc/32/53/47/569325347.db2.gz IDWHBQNFPRCORF-NSHDSACASA-N 0 0 448.393 3.924 50 0 IHAARN COc1ccccc1-n1c(SCCNC(=O)C2CCCC2)nnc1N1CCCCC1 ZINC000079098685 569325410 /nfs/dbraw/zinc/32/54/10/569325410.db2.gz JJYOXRHAVKZVQX-UHFFFAOYSA-N 0 0 429.590 3.665 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCc3nc4cc(Br)cnc4[nH]3)c2c1 ZINC000079493497 569331402 /nfs/dbraw/zinc/33/14/02/569331402.db2.gz WMBBAFXTHHGZHY-UHFFFAOYSA-N 0 0 442.317 3.502 50 0 IHAARN COc1ccc(-c2nnc3n2[C@@H](C(=O)Nc2ccccc2OC(F)F)CC(=O)N3)cc1 ZINC000079491890 569331433 /nfs/dbraw/zinc/33/14/33/569331433.db2.gz FMKVUTFZQBRWQJ-CQSZACIVSA-N 0 0 429.383 3.727 50 0 IHAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(C(C)=O)cc1)C(F)(F)F ZINC000020032605 569332445 /nfs/dbraw/zinc/33/24/45/569332445.db2.gz PFDJULLDFODCAA-FQEVSTJZSA-N 0 0 438.402 3.561 50 0 IHAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062072 569333134 /nfs/dbraw/zinc/33/31/34/569333134.db2.gz XBIIAXLUGHDCBV-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020132897 569335432 /nfs/dbraw/zinc/33/54/32/569335432.db2.gz IBVPBNRCVXHZIQ-ZWKOTPCHSA-N 0 0 425.337 3.910 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N[C@H](c3ccsc3)c3cccs3)cc3c2N1CC3 ZINC000390827435 569353912 /nfs/dbraw/zinc/35/39/12/569353912.db2.gz XPHFUOXEFDMIBW-LJQANCHMSA-N 0 0 430.576 3.713 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(C)cc1 ZINC000020239820 569357635 /nfs/dbraw/zinc/35/76/35/569357635.db2.gz FCYSXXSIFJIENH-UHFFFAOYSA-N 0 0 440.569 3.796 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241702 569358044 /nfs/dbraw/zinc/35/80/44/569358044.db2.gz WMYQBZUFFBUDPA-PBNKOMEISA-N 0 0 442.537 3.793 50 0 IHAARN O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000080328311 569362233 /nfs/dbraw/zinc/36/22/33/569362233.db2.gz ZZDYOAOQXSHBDJ-OAHLLOKOSA-N 0 0 435.355 3.510 50 0 IHAARN CCc1ccc([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NC(=O)C(F)(F)F)cc1 ZINC000020386747 569363162 /nfs/dbraw/zinc/36/31/62/569363162.db2.gz DKVBAMVFHBDDDT-OAQYLSRUSA-N 0 0 447.501 3.703 50 0 IHAARN O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000020416127 569364662 /nfs/dbraw/zinc/36/46/62/569364662.db2.gz SIHLFOYSOJZZDN-IBGZPJMESA-N 0 0 431.540 3.574 50 0 IHAARN CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)N(C)c3cc(C)cc(C)c3)cc2n1C ZINC000095430812 569366180 /nfs/dbraw/zinc/36/61/80/569366180.db2.gz BWYJXDLMPSLMKS-UHFFFAOYSA-N 0 0 435.933 3.845 50 0 IHAARN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000095454967 569368542 /nfs/dbraw/zinc/36/85/42/569368542.db2.gz QCODRCLXMCVEFT-AWEZNQCLSA-N 0 0 445.449 3.840 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(OC)c(F)c2)CC1 ZINC000095456137 569368712 /nfs/dbraw/zinc/36/87/12/569368712.db2.gz ZOVRETNZCJFCPJ-IBGZPJMESA-N 0 0 435.883 3.552 50 0 IHAARN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000095457630 569369096 /nfs/dbraw/zinc/36/90/96/569369096.db2.gz AKEPYGOPRGTWSJ-FCGDIQPGSA-N 0 0 432.565 3.868 50 0 IHAARN CC(C)c1cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)n(-c2ncccn2)n1 ZINC000095461277 569369768 /nfs/dbraw/zinc/36/97/68/569369768.db2.gz RJDKSHXGDGTKBU-LJQANCHMSA-N 0 0 438.919 3.645 50 0 IHAARN Cc1ccnc(-n2cc(S(=O)(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cn2)c1 ZINC000095462037 569369974 /nfs/dbraw/zinc/36/99/74/569369974.db2.gz NUXYFCRFKKCRCF-IRLDBZIGSA-N 0 0 440.569 3.633 50 0 IHAARN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000095462027 569370007 /nfs/dbraw/zinc/37/00/07/569370007.db2.gz FPXQWGCPNKRUIX-NRFANRHFSA-N 0 0 433.476 3.898 50 0 IHAARN COc1cc([C@H](NC(=O)CN(C)Cc2ccccc2)C(F)(F)F)cc(OC)c1OC ZINC000095466237 569370883 /nfs/dbraw/zinc/37/08/83/569370883.db2.gz DHOCOEAGHFKAQV-FQEVSTJZSA-N 0 0 426.435 3.564 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)S1 ZINC000020895852 569374955 /nfs/dbraw/zinc/37/49/55/569374955.db2.gz KIAZDIGTKJYMJT-QGZVFWFLSA-N 0 0 435.864 3.699 50 0 IHAARN COC(=O)C[C@@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 ZINC000095941215 569375390 /nfs/dbraw/zinc/37/53/90/569375390.db2.gz TUYGPFXHQQKCJV-CYBMUJFWSA-N 0 0 431.739 3.997 50 0 IHAARN CC(C)c1ccccc1OCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000095945789 569375916 /nfs/dbraw/zinc/37/59/16/569375916.db2.gz FZAFBMXULRBBMF-UHFFFAOYSA-N 0 0 430.508 3.861 50 0 IHAARN Nc1ncnc2sc3c(c21)CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C3 ZINC000095977260 569377716 /nfs/dbraw/zinc/37/77/16/569377716.db2.gz PNQQHXIQEIKABI-UHFFFAOYSA-N 0 0 432.431 3.901 50 0 IHAARN CC(C)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095989115 569378236 /nfs/dbraw/zinc/37/82/36/569378236.db2.gz IENNALOZXIBXFD-HRAATJIYSA-N 0 0 434.943 3.946 50 0 IHAARN COc1cc([C@H](NC(=O)c2ccc3c(c2)OCCO3)C(F)(F)F)cc(OC)c1OC ZINC000095995567 569378606 /nfs/dbraw/zinc/37/86/06/569378606.db2.gz WMFPRXUGJDCPQP-SFHVURJKSA-N 0 0 427.375 3.517 50 0 IHAARN COc1cc(C)ccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000095997578 569378876 /nfs/dbraw/zinc/37/88/76/569378876.db2.gz YPPYIYCHOYNYCW-RHSMWYFYSA-N 0 0 446.466 3.829 50 0 IHAARN COc1cc(C)ccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F ZINC000095997581 569378878 /nfs/dbraw/zinc/37/88/78/569378878.db2.gz YPPYIYCHOYNYCW-YOEHRIQHSA-N 0 0 446.466 3.829 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000095997631 569378917 /nfs/dbraw/zinc/37/89/17/569378917.db2.gz SSSUOPGVSHLCBU-LSDHHAIUSA-N 0 0 432.933 3.927 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3Br)CC2)c1 ZINC000096097010 569381405 /nfs/dbraw/zinc/38/14/05/569381405.db2.gz DTXCFZZNBOOLCX-UHFFFAOYSA-N 0 0 425.348 3.693 50 0 IHAARN CC(C)(C)c1nccc(CCCNC(=O)CCC(=O)N2CCSc3ccccc32)n1 ZINC000096009805 569379656 /nfs/dbraw/zinc/37/96/56/569379656.db2.gz CRYAIQFPSCWUHV-UHFFFAOYSA-N 0 0 426.586 3.742 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N[C@H]3CCOc4ccccc43)nnc2N2CCCC2)cc1 ZINC000028034163 569380347 /nfs/dbraw/zinc/38/03/47/569380347.db2.gz AIOJDCKWAPKVKY-FQEVSTJZSA-N 0 0 449.580 3.908 50 0 IHAARN COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 ZINC000096096316 569381200 /nfs/dbraw/zinc/38/12/00/569381200.db2.gz LRENTCBFCFBEHW-UHFFFAOYSA-N 0 0 430.404 3.511 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1 ZINC000096096891 569381289 /nfs/dbraw/zinc/38/12/89/569381289.db2.gz OEPJLQHIWSUVMM-UHFFFAOYSA-N 0 0 436.961 3.530 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ncccc4Cl)CC3)CC2=O)cc1C ZINC000096096870 569381294 /nfs/dbraw/zinc/38/12/94/569381294.db2.gz PHPGZAROZHBAQS-QGZVFWFLSA-N 0 0 427.932 3.775 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3cc4ccccc4o3)n(C)n2)c1 ZINC000096097272 569381376 /nfs/dbraw/zinc/38/13/76/569381376.db2.gz LPDIFVDNXKTZGR-HXUWFJFHSA-N 0 0 435.480 3.704 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096097011 569381389 /nfs/dbraw/zinc/38/13/89/569381389.db2.gz ZAPGOVJGFILDAL-UHFFFAOYSA-N 0 0 437.768 3.791 50 0 IHAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@@H](S(=O)(=O)C(C)(C)C)C3)cc2)c1 ZINC000096103453 569381977 /nfs/dbraw/zinc/38/19/77/569381977.db2.gz FHMZIIFZHPXCSI-HXUWFJFHSA-N 0 0 437.583 3.764 50 0 IHAARN O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105223 569382198 /nfs/dbraw/zinc/38/21/98/569382198.db2.gz AMLPCQARWVDORA-UHFFFAOYSA-N 0 0 425.496 3.579 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1F ZINC000096105293 569382273 /nfs/dbraw/zinc/38/22/73/569382273.db2.gz UGEJTPYXLPDEQG-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000096116707 569383771 /nfs/dbraw/zinc/38/37/71/569383771.db2.gz IXCIPJWUUATRFN-SCLBCKFNSA-N 0 0 433.530 3.511 50 0 IHAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cc(F)c(F)c(F)c2)CCO1 ZINC000096116739 569383959 /nfs/dbraw/zinc/38/39/59/569383959.db2.gz IOSIRUUPLUAGQV-QLJPJBMISA-N 0 0 427.448 3.911 50 0 IHAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096117092 569383986 /nfs/dbraw/zinc/38/39/86/569383986.db2.gz DPLDUVBBOXHGEH-UHFFFAOYSA-N 0 0 425.916 3.763 50 0 IHAARN O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1cc3c(c(Cl)c1)OCO3)SCC(=O)N2 ZINC000096118338 569384394 /nfs/dbraw/zinc/38/43/94/569384394.db2.gz IEZWZHNIAUIPHV-MRXNPFEDSA-N 0 0 439.946 3.814 50 0 IHAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cnc2ccc(OC(F)(F)F)cc2c1O ZINC000096118725 569384506 /nfs/dbraw/zinc/38/45/06/569384506.db2.gz XWUFOFGJTXEUGV-UHFFFAOYSA-N 0 0 430.386 3.666 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N(CCc3cccs3)Cc3ccco3)cc3c2N1CC3 ZINC000096119232 569384729 /nfs/dbraw/zinc/38/47/29/569384729.db2.gz OUBGZSGXNKTVLJ-UHFFFAOYSA-N 0 0 442.562 3.610 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)c2O1 ZINC000096121463 569385048 /nfs/dbraw/zinc/38/50/48/569385048.db2.gz NECSNDJTTQPACO-UHFFFAOYSA-N 0 0 446.551 3.733 50 0 IHAARN CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2NC1=O ZINC000096182238 569386042 /nfs/dbraw/zinc/38/60/42/569386042.db2.gz FNMJAVSWIISFRY-FQEVSTJZSA-N 0 0 434.901 3.967 50 0 IHAARN COC(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000096191935 569386186 /nfs/dbraw/zinc/38/61/86/569386186.db2.gz HMRJGNCYLXTAQD-UHFFFAOYSA-N 0 0 439.855 3.791 50 0 IHAARN O=C(c1c(F)cccc1F)N1CCc2nc(N3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096281881 569390160 /nfs/dbraw/zinc/39/01/60/569390160.db2.gz SKWBHRMUPSYGIM-UHFFFAOYSA-N 0 0 441.526 3.934 50 0 IHAARN CC(=O)N1CCN(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000096297684 569391936 /nfs/dbraw/zinc/39/19/36/569391936.db2.gz MMIQRBQNEDUFKS-QXMHVHEDSA-N 0 0 442.563 3.919 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2cccc(C)c2)CC1 ZINC000096316840 569392817 /nfs/dbraw/zinc/39/28/17/569392817.db2.gz KJVSINWPABARLF-UHFFFAOYSA-N 0 0 444.645 3.923 50 0 IHAARN CCNC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cccc(Cl)c2)CC1 ZINC000096317504 569393489 /nfs/dbraw/zinc/39/34/89/569393489.db2.gz GRGVITSTLRYSKL-UHFFFAOYSA-N 0 0 445.995 3.842 50 0 IHAARN Cc1oc2c(ccc3c2CN(CCN2CCOCC2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000096318580 569393839 /nfs/dbraw/zinc/39/38/39/569393839.db2.gz FQEQFGGBZFYBBJ-UHFFFAOYSA-N 0 0 440.927 3.906 50 0 IHAARN O=S(=O)(c1ccc(-c2noc(-c3ccccc3Br)n2)cc1)N1CCCC1 ZINC000096321973 569394292 /nfs/dbraw/zinc/39/42/92/569394292.db2.gz MRVRKZVBWZIUPV-UHFFFAOYSA-N 0 0 434.315 3.951 50 0 IHAARN O=S(=O)(c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1)N1CCCC1 ZINC000096321975 569394294 /nfs/dbraw/zinc/39/42/94/569394294.db2.gz AZBPBHVXWAAJQB-UHFFFAOYSA-N 0 0 448.342 3.874 50 0 IHAARN COc1ccc(C2(c3nc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)no3)CC2)cc1 ZINC000096322018 569394312 /nfs/dbraw/zinc/39/43/12/569394312.db2.gz MYVWQTFYWGTGFM-UHFFFAOYSA-N 0 0 439.537 4.000 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000096322191 569394506 /nfs/dbraw/zinc/39/45/06/569394506.db2.gz LNFDITJITVCQMZ-UHFFFAOYSA-N 0 0 448.951 3.793 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1OC ZINC000096322675 569394830 /nfs/dbraw/zinc/39/48/30/569394830.db2.gz XYYYPTDVBTUJSR-UHFFFAOYSA-N 0 0 426.450 3.988 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)c(C)c3)n2)CC1)c1ccccc1 ZINC000096324199 569395730 /nfs/dbraw/zinc/39/57/30/569395730.db2.gz PGLCKINWQGINFE-HSZRJFAPSA-N 0 0 430.552 3.692 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)NC(C)(C)C)cc2)o1 ZINC000096324494 569395923 /nfs/dbraw/zinc/39/59/23/569395923.db2.gz VLCIZRBOYBHDIZ-UHFFFAOYSA-N 0 0 426.542 3.711 50 0 IHAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1Cl ZINC000096324605 569395952 /nfs/dbraw/zinc/39/59/52/569395952.db2.gz NNWJPTJBNPGRTN-UHFFFAOYSA-N 0 0 439.903 3.625 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096331475 569396401 /nfs/dbraw/zinc/39/64/01/569396401.db2.gz NIMQVGFUFMQCQI-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1ccccc1Cl)C2 ZINC000096331517 569396422 /nfs/dbraw/zinc/39/64/22/569396422.db2.gz NNSMYKIRRNAKEH-UHFFFAOYSA-N 0 0 447.926 3.842 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1cc(F)ccc1F)C2 ZINC000096331495 569396449 /nfs/dbraw/zinc/39/64/49/569396449.db2.gz PYNNLAIGSXORLY-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1cccnc1 ZINC000096372451 569397842 /nfs/dbraw/zinc/39/78/42/569397842.db2.gz AGZJHSNPXUADGC-QGZVFWFLSA-N 0 0 425.492 3.578 50 0 IHAARN CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000096374487 569398147 /nfs/dbraw/zinc/39/81/47/569398147.db2.gz GGJAPHURDOQLGM-UHFFFAOYSA-N 0 0 431.529 3.732 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)cc1OC ZINC000096387057 569398744 /nfs/dbraw/zinc/39/87/44/569398744.db2.gz HCAQZGBAKHQVBJ-FQEVSTJZSA-N 0 0 431.492 3.815 50 0 IHAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000096437977 569400575 /nfs/dbraw/zinc/40/05/75/569400575.db2.gz YQBUSTJGURRCHS-WOJBJXKFSA-N 0 0 444.572 3.788 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000096544268 569401014 /nfs/dbraw/zinc/40/10/14/569401014.db2.gz QMJJIWWCTKKIQQ-GZTJUZNOSA-N 0 0 434.876 3.711 50 0 IHAARN O=C(COc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000096585039 569401828 /nfs/dbraw/zinc/40/18/28/569401828.db2.gz CSARCPQTGHFFDY-STZFKDTASA-N 0 0 431.423 3.941 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097161259 569403150 /nfs/dbraw/zinc/40/31/50/569403150.db2.gz CEFLQRHKYKDYPO-NRFANRHFSA-N 0 0 445.485 3.654 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccccc1F ZINC000002459479 569403530 /nfs/dbraw/zinc/40/35/30/569403530.db2.gz BMPWAESSPQRPJD-UHFFFAOYSA-N 0 0 431.489 3.890 50 0 IHAARN Cn1ccnc1[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000225577775 569404853 /nfs/dbraw/zinc/40/48/53/569404853.db2.gz AVEDTPLSGPOLMF-SFTDATJTSA-N 0 0 430.552 3.832 50 0 IHAARN O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002493460 569405563 /nfs/dbraw/zinc/40/55/63/569405563.db2.gz PPGXMCZXDHCAOW-UHFFFAOYSA-N 0 0 446.893 3.939 50 0 IHAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732810 569407631 /nfs/dbraw/zinc/40/76/31/569407631.db2.gz LNUAJSWEFHJKCM-AWEZNQCLSA-N 0 0 446.385 3.513 50 0 IHAARN Cc1nc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 ZINC000225733503 569407677 /nfs/dbraw/zinc/40/76/77/569407677.db2.gz ZXDLMUQQWKSAHA-UHFFFAOYSA-N 0 0 440.853 3.769 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C\c4ccccc4Br)c(=O)n3n2)cc1 ZINC000002533441 569408235 /nfs/dbraw/zinc/40/82/35/569408235.db2.gz RCRBPRNWKYKVHB-WJDWOHSUSA-N 0 0 428.311 3.527 50 0 IHAARN CCOc1ccc(CN(C(=O)Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000028228301 569409181 /nfs/dbraw/zinc/40/91/81/569409181.db2.gz IQEIOUJCDWHIHO-QFIPXVFZSA-N 0 0 437.561 3.997 50 0 IHAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228553 569409257 /nfs/dbraw/zinc/40/92/57/569409257.db2.gz BXDRPPSBTICQEX-YLJYHZDGSA-N 0 0 441.524 3.962 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 ZINC000028295055 569409650 /nfs/dbraw/zinc/40/96/50/569409650.db2.gz OTQVZPBQAZFKFV-SOUVJXGZSA-N 0 0 428.466 3.768 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2F)cc1 ZINC000002619310 569410724 /nfs/dbraw/zinc/41/07/24/569410724.db2.gz MGTKCZPFAYVBFG-QGZVFWFLSA-N 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CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000004065754 569458611 /nfs/dbraw/zinc/45/86/11/569458611.db2.gz OAVZHJPJKVQRTE-BMLIUANNSA-N 0 0 439.306 3.785 50 0 IHAARN Cn1ncc2c1nc(NCc1ccc(Cl)cc1)nc2N1CCN(c2ccccc2)CC1 ZINC000032091402 569459605 /nfs/dbraw/zinc/45/96/05/569459605.db2.gz MKPGLWOZUZTPFQ-UHFFFAOYSA-N 0 0 433.947 3.955 50 0 IHAARN CC(C)Cc1csc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 ZINC000032101122 569460096 /nfs/dbraw/zinc/46/00/96/569460096.db2.gz QSEKJSNTPRODRH-UHFFFAOYSA-N 0 0 435.553 3.594 50 0 IHAARN O=C1N[C@H](c2ccc(Br)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163283 569460543 /nfs/dbraw/zinc/46/05/43/569460543.db2.gz DNRBHMCGLHWPTR-JJRVBVJISA-N 0 0 443.219 3.553 50 0 IHAARN COc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000004180471 569460715 /nfs/dbraw/zinc/46/07/15/569460715.db2.gz HQWDDDSMSKUCJN-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CCc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183216 569460750 /nfs/dbraw/zinc/46/07/50/569460750.db2.gz UZRHKYIRIYCFOW-QFIPXVFZSA-N 0 0 429.582 3.967 50 0 IHAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000032237333 569460894 /nfs/dbraw/zinc/46/08/94/569460894.db2.gz YIECOVHLCKITNP-UHFFFAOYSA-N 0 0 437.927 3.926 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)C1CCCC1 ZINC000032396792 569461545 /nfs/dbraw/zinc/46/15/45/569461545.db2.gz RIOXTLAURNPTFZ-OAQYLSRUSA-N 0 0 435.567 3.731 50 0 IHAARN COc1ccc(CNC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000008202282 569462398 /nfs/dbraw/zinc/46/23/98/569462398.db2.gz OLXVLZVJFCFCEW-UHFFFAOYSA-N 0 0 425.554 3.809 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCc1ccccc1 ZINC000038486877 569462822 /nfs/dbraw/zinc/46/28/22/569462822.db2.gz GYTOTAZVZCYFIJ-UHFFFAOYSA-N 0 0 432.484 3.592 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c(C)c1 ZINC000038487215 569462837 /nfs/dbraw/zinc/46/28/37/569462837.db2.gz AHUWXCAUWSDTCJ-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000038486985 569462841 /nfs/dbraw/zinc/46/28/41/569462841.db2.gz VVBZGPXVYNDZBK-UHFFFAOYSA-N 0 0 428.521 3.761 50 0 IHAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5)n4ccn3n2)cc1 ZINC000038486988 569462867 /nfs/dbraw/zinc/46/28/67/569462867.db2.gz UANFRKMSJIFBPH-UHFFFAOYSA-N 0 0 430.493 3.783 50 0 IHAARN Cc1ccc(-n2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-c2cccnc2)cc1 ZINC000038487493 569462869 /nfs/dbraw/zinc/46/28/69/569462869.db2.gz HFTWDBSKDVVEQD-UHFFFAOYSA-N 0 0 438.535 3.596 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c1 ZINC000038487219 569462877 /nfs/dbraw/zinc/46/28/77/569462877.db2.gz WVLPXRUGELPNDZ-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN CC(=O)[C@@H]1C(=O)N(c2ccccn2)C(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1 ZINC000008430800 569464179 /nfs/dbraw/zinc/46/41/79/569464179.db2.gz QOVDNPGCDURQNX-XZOQPEGZSA-N 0 0 426.476 3.725 50 0 IHAARN CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000067192637 569464385 /nfs/dbraw/zinc/46/43/85/569464385.db2.gz PQQLQUKFQNCCGH-HNNXBMFYSA-N 0 0 448.552 3.879 50 0 IHAARN Cc1cc2nn(CC(=O)N(C)c3ccccc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000067226450 569465293 /nfs/dbraw/zinc/46/52/93/569465293.db2.gz PKSMNKQPIPPQTK-UHFFFAOYSA-N 0 0 441.413 3.548 50 0 IHAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)N[C@@H](C)CCc2ccccc2)c3=O)c1 ZINC000067235580 569465408 /nfs/dbraw/zinc/46/54/08/569465408.db2.gz IEONIOSESPVOSJ-SFHVURJKSA-N 0 0 444.535 3.548 50 0 IHAARN Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236816 569465413 /nfs/dbraw/zinc/46/54/13/569465413.db2.gz WCBYIWDFGPESJC-UHFFFAOYSA-N 0 0 432.549 3.863 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236917 569465495 /nfs/dbraw/zinc/46/54/95/569465495.db2.gz VBBXPMFLMNREPI-UHFFFAOYSA-N 0 0 440.475 3.709 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 ZINC000067237906 569465539 /nfs/dbraw/zinc/46/55/39/569465539.db2.gz PXTKYNAADWVAGF-OAHLLOKOSA-N 0 0 428.558 3.667 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067238225 569465578 /nfs/dbraw/zinc/46/55/78/569465578.db2.gz TUSIBVRYAGYCFP-UHFFFAOYSA-N 0 0 441.557 3.768 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C ZINC000067238016 569465609 /nfs/dbraw/zinc/46/56/09/569465609.db2.gz RWGXUHFRZFIUNH-UHFFFAOYSA-N 0 0 442.541 3.597 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000067239254 569465685 /nfs/dbraw/zinc/46/56/85/569465685.db2.gz CTGUTLVCZTUOFT-GJZGRUSLSA-N 0 0 428.558 3.982 50 0 IHAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO ZINC000067301523 569468297 /nfs/dbraw/zinc/46/82/97/569468297.db2.gz KJKRLIUNOXHORS-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN COc1ccccc1N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)CC1 ZINC000067287981 569467404 /nfs/dbraw/zinc/46/74/04/569467404.db2.gz MACIPDAGLUAQPA-UHFFFAOYSA-N 0 0 434.515 3.945 50 0 IHAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc4c(c3)OCCO4)oc21 ZINC000067298972 569468089 /nfs/dbraw/zinc/46/80/89/569468089.db2.gz CYTJJXCNGRVREX-LCUIJRPUSA-N 0 0 432.432 3.968 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067320146 569468652 /nfs/dbraw/zinc/46/86/52/569468652.db2.gz CRPPTQGLYGNIMW-MRXNPFEDSA-N 0 0 442.585 3.770 50 0 IHAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2Br)c1C ZINC000067322366 569468654 /nfs/dbraw/zinc/46/86/54/569468654.db2.gz YMOBVBKKZSPQOI-UHFFFAOYSA-N 0 0 442.317 3.802 50 0 IHAARN COc1cc(OC)c(N(C)C(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)cc1Cl ZINC000008596619 569469264 /nfs/dbraw/zinc/46/92/64/569469264.db2.gz UWRDBZLJLOKVQY-UHFFFAOYSA-N 0 0 433.892 3.901 50 0 IHAARN Cc1csc2nc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc(=O)n12 ZINC000008641984 569469552 /nfs/dbraw/zinc/46/95/52/569469552.db2.gz LMSMDSSVYDXTBT-UHFFFAOYSA-N 0 0 430.580 3.544 50 0 IHAARN COc1cc(-c2nnc(S[C@H]3CCOC3=O)n2C2CCCCC2)cc(OC)c1OC ZINC000008645569 569469650 /nfs/dbraw/zinc/46/96/50/569469650.db2.gz MKPNODKNZUPOFQ-KRWDZBQOSA-N 0 0 433.530 3.884 50 0 IHAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 ZINC000008657486 569469727 /nfs/dbraw/zinc/46/97/27/569469727.db2.gz NSMKBMROFDEPDB-DNQXCXABSA-N 0 0 439.475 3.903 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(C)o1)[C@@H]1c3ccccc3CCN1C2=O ZINC000008661702 569469837 /nfs/dbraw/zinc/46/98/37/569469837.db2.gz QPWHPPARJUBKRV-RPWUZVMVSA-N 0 0 446.503 3.758 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(OC)c2)cc1 ZINC000008680420 569470065 /nfs/dbraw/zinc/47/00/65/569470065.db2.gz PVOLATLLMJGAKA-UHFFFAOYSA-N 0 0 448.552 3.838 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1cc2ccccc2o1 ZINC000008708344 569470692 /nfs/dbraw/zinc/47/06/92/569470692.db2.gz ACIICPQWCANECL-CQSZACIVSA-N 0 0 435.509 3.783 50 0 IHAARN CCn1ccnc1SCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000008719923 569471488 /nfs/dbraw/zinc/47/14/88/569471488.db2.gz BUJWCPCZEOLFKS-UHFFFAOYSA-N 0 0 438.553 3.615 50 0 IHAARN CCc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 ZINC000008724347 569472042 /nfs/dbraw/zinc/47/20/42/569472042.db2.gz MWNMFQGTWNILTI-SFHVURJKSA-N 0 0 438.553 3.598 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O ZINC000008734658 569472596 /nfs/dbraw/zinc/47/25/96/569472596.db2.gz HSONPRXCZZXMOQ-ABKXIKBNSA-N 0 0 425.308 3.561 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000008735606 569472649 /nfs/dbraw/zinc/47/26/49/569472649.db2.gz ODEDNXCQCWGJSG-UHFFFAOYSA-N 0 0 437.974 3.704 50 0 IHAARN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000008751525 569473498 /nfs/dbraw/zinc/47/34/98/569473498.db2.gz ZQMJTAHDIUSGDO-LBPRGKRZSA-N 0 0 435.709 3.939 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000008768776 569474980 /nfs/dbraw/zinc/47/49/80/569474980.db2.gz BIZSWYQEEHMKBI-UHFFFAOYSA-N 0 0 430.526 3.826 50 0 IHAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000008777434 569475393 /nfs/dbraw/zinc/47/53/93/569475393.db2.gz LOWGQSHNFATIPC-UHFFFAOYSA-N 0 0 443.503 3.761 50 0 IHAARN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000008778238 569475445 /nfs/dbraw/zinc/47/54/45/569475445.db2.gz TUHAKLBCLDFCNQ-UHFFFAOYSA-N 0 0 436.327 3.669 50 0 IHAARN CC(C)C[C@@H](C(=O)NC1CCCC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789304 569475914 /nfs/dbraw/zinc/47/59/14/569475914.db2.gz JFSKLJMGGBKSBF-CPJSRVTESA-N 0 0 436.556 3.677 50 0 biogenic IHAARN CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC ZINC000008824930 569477292 /nfs/dbraw/zinc/47/72/92/569477292.db2.gz RSNBTKJSNJMCJP-UHFFFAOYSA-N 0 0 447.871 3.898 50 0 IHAARN CC(C)(C)NC(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000008825029 569477311 /nfs/dbraw/zinc/47/73/11/569477311.db2.gz BIPYNTMNUZRFBP-UHFFFAOYSA-N 0 0 449.536 3.502 50 0 IHAARN CCc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)s1 ZINC000008838505 569478344 /nfs/dbraw/zinc/47/83/44/569478344.db2.gz AXJBEQWOQSPSBJ-NSHDSACASA-N 0 0 435.354 3.921 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000008850537 569479330 /nfs/dbraw/zinc/47/93/30/569479330.db2.gz XQZLFXDCDIAZHS-QHCPKHFHSA-N 0 0 425.554 3.659 50 0 IHAARN CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 ZINC000008870928 569480598 /nfs/dbraw/zinc/48/05/98/569480598.db2.gz ZBJKQMNJBQEGJL-UHFFFAOYSA-N 0 0 428.554 3.898 50 0 IHAARN COC(=O)[C@@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000008876921 569481125 /nfs/dbraw/zinc/48/11/25/569481125.db2.gz RMEVSIMKTGSKMF-CYBMUJFWSA-N 0 0 433.464 3.692 50 0 biogenic IHAARN C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008878463 569481296 /nfs/dbraw/zinc/48/12/96/569481296.db2.gz LJGIAIPSDLGHNX-SECBINFHSA-N 0 0 442.854 3.845 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)CC(=O)N(C)C)occ3-c1ccccc1 ZINC000008879921 569481421 /nfs/dbraw/zinc/48/14/21/569481421.db2.gz VGBKVMZHEQPKKJ-UHFFFAOYSA-N 0 0 446.503 3.994 50 0 biogenic IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)cc4oc(=O)c(C)c(C)c34)c2c1 ZINC000008880068 569481451 /nfs/dbraw/zinc/48/14/51/569481451.db2.gz BVPYSYULUBGSPE-UHFFFAOYSA-N 0 0 434.492 3.946 50 0 biogenic IHAARN Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)n2)o1 ZINC000008880715 569481469 /nfs/dbraw/zinc/48/14/69/569481469.db2.gz GFLPDUJFORMODG-OAHLLOKOSA-N 0 0 435.502 3.642 50 0 IHAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000008880692 569481526 /nfs/dbraw/zinc/48/15/26/569481526.db2.gz IJXBQRVHGXOTPS-QUGAMOGWSA-N 0 0 445.519 3.579 50 0 IHAARN CCOn1cnc2c1OC(OCC(=O)c1ccc(Cl)cc1)=NN2c1ccc(OC)cc1 ZINC000039929489 569481923 /nfs/dbraw/zinc/48/19/23/569481923.db2.gz FKNSHVNONJVDEG-UHFFFAOYSA-N 0 0 442.859 3.695 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)NCCOc1ccc(Cl)cc1 ZINC000039983552 569482271 /nfs/dbraw/zinc/48/22/71/569482271.db2.gz XFZYVRADPQNMKY-UHFFFAOYSA-N 0 0 448.306 3.840 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000039995522 569482385 /nfs/dbraw/zinc/48/23/85/569482385.db2.gz ADNBZQXGJBMVKH-QFIPXVFZSA-N 0 0 430.508 3.624 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000039996909 569482450 /nfs/dbraw/zinc/48/24/50/569482450.db2.gz JLGIMJVEBQFUJH-IBGZPJMESA-N 0 0 447.607 3.710 50 0 IHAARN O=C(CCN1C(=S)N=NC1c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000040024241 569482776 /nfs/dbraw/zinc/48/27/76/569482776.db2.gz QGZYWKRYDLTECU-UHFFFAOYSA-N 0 0 428.461 3.900 50 0 IHAARN CC(C)Cn1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000008882372 569482945 /nfs/dbraw/zinc/48/29/45/569482945.db2.gz GYEUWIKRLQKKPI-OAHLLOKOSA-N 0 0 439.537 3.578 50 0 IHAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000040034359 569483210 /nfs/dbraw/zinc/48/32/10/569483210.db2.gz JSSRMFDPKJEASP-UHFFFAOYSA-N 0 0 440.525 3.703 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(Cl)s3)C2)s1 ZINC000040047638 569483743 /nfs/dbraw/zinc/48/37/43/569483743.db2.gz KYKOMXCTEPZRCJ-ZDUSSCGKSA-N 0 0 433.020 3.831 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000008896795 569483944 /nfs/dbraw/zinc/48/39/44/569483944.db2.gz KPFWVHBRECEVQR-UHFFFAOYSA-N 0 0 437.500 3.949 50 0 IHAARN CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000040058792 569484690 /nfs/dbraw/zinc/48/46/90/569484690.db2.gz VKIRPIGATCIZFM-UTKZUKDTSA-N 0 0 428.554 3.885 50 0 IHAARN O=C(NCc1cccc(Br)c1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000008911602 569484931 /nfs/dbraw/zinc/48/49/31/569484931.db2.gz FTVHWMDJIOFCIH-OAHLLOKOSA-N 0 0 446.374 3.624 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)c1 ZINC000008912642 569485043 /nfs/dbraw/zinc/48/50/43/569485043.db2.gz AKVGMXKCQLZXSA-UHFFFAOYSA-N 0 0 441.557 3.818 50 0 IHAARN COc1cc(OC)c(NC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1Cl ZINC000008912613 569485082 /nfs/dbraw/zinc/48/50/82/569485082.db2.gz FULVYXHJCYIBEL-UHFFFAOYSA-N 0 0 447.948 3.855 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008916486 569485789 /nfs/dbraw/zinc/48/57/89/569485789.db2.gz SWVIPWUAHLAHIC-CRAIPNDOSA-N 0 0 439.936 3.771 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1C ZINC000040071830 569485870 /nfs/dbraw/zinc/48/58/70/569485870.db2.gz HPWCYCUSSWCYDJ-QGZVFWFLSA-N 0 0 444.553 3.708 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(Cl)cc2)C(=O)[C@]31C ZINC000008917995 569486129 /nfs/dbraw/zinc/48/61/29/569486129.db2.gz NXJDNQFUZHKANX-DEOSSOPVSA-N 0 0 437.927 3.515 50 0 biogenic IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2cccnc21 ZINC000040073680 569486135 /nfs/dbraw/zinc/48/61/35/569486135.db2.gz NVKJYXBOJUINIU-VWLOTQADSA-N 0 0 428.492 3.953 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2ncccc21 ZINC000040073589 569486151 /nfs/dbraw/zinc/48/61/51/569486151.db2.gz UKNABZCPZKTMNK-VWLOTQADSA-N 0 0 428.492 3.953 50 0 IHAARN CC[C@@H](C)NC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008918487 569486257 /nfs/dbraw/zinc/48/62/57/569486257.db2.gz FVCDBYPBZKFMLK-BZQUYTCOSA-N 0 0 430.508 3.936 50 0 biogenic IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cn(-c2cccc(Br)c2)nn1 ZINC000040079642 569486419 /nfs/dbraw/zinc/48/64/19/569486419.db2.gz PXPBCXWAOYEVRS-UHFFFAOYSA-N 0 0 428.315 3.912 50 0 IHAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000040080240 569486601 /nfs/dbraw/zinc/48/66/01/569486601.db2.gz LBEGRZFWONVKIF-QGZVFWFLSA-N 0 0 427.936 3.762 50 0 IHAARN CCN(C(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccc(F)cc1 ZINC000008931760 569487555 /nfs/dbraw/zinc/48/75/55/569487555.db2.gz IAMDZNAOWZDFLS-UHFFFAOYSA-N 0 0 436.487 3.644 50 0 IHAARN CC1=CC2=N[C@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)C(=O)N2C=C1 ZINC000008931968 569487605 /nfs/dbraw/zinc/48/76/05/569487605.db2.gz GLGSHOBOEMZLKB-JOCHJYFZSA-N 0 0 436.309 3.832 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)C1 ZINC000008933018 569487725 /nfs/dbraw/zinc/48/77/25/569487725.db2.gz WPJYENCRXKUXJD-KDURUIRLSA-N 0 0 428.536 3.904 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C ZINC000008938213 569488217 /nfs/dbraw/zinc/48/82/17/569488217.db2.gz DKAZDSWMIDAGNT-UHFFFAOYSA-N 0 0 446.555 3.847 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2cccc(C(F)(F)F)c2)c(NC(C)C)n1 ZINC000008941568 569488598 /nfs/dbraw/zinc/48/85/98/569488598.db2.gz VTXAIOJRSNFNQI-UHFFFAOYSA-N 0 0 438.479 3.817 50 0 IHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccccc1 ZINC000008944128 569488914 /nfs/dbraw/zinc/48/89/14/569488914.db2.gz QVBUWQUWSFIMDL-UHFFFAOYSA-N 0 0 441.582 3.735 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O ZINC000040116795 569489326 /nfs/dbraw/zinc/48/93/26/569489326.db2.gz IAWIFHKNCWSAPH-HXUWFJFHSA-N 0 0 427.467 3.613 50 0 IHAARN O=C(CCCOc1cccc2ccccc21)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000040129746 569489791 /nfs/dbraw/zinc/48/97/91/569489791.db2.gz GUUUPKFXUFMKFS-IBGZPJMESA-N 0 0 427.522 3.808 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3sc(C)nc3c2=O)cc1 ZINC000008955121 569490133 /nfs/dbraw/zinc/49/01/33/569490133.db2.gz ZEPTUHSVRFOUML-UHFFFAOYSA-N 0 0 448.504 3.562 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1Cl ZINC000040133425 569490430 /nfs/dbraw/zinc/49/04/30/569490430.db2.gz WHAZWIXZHYRVDL-LLVKDONJSA-N 0 0 426.826 3.708 50 0 IHAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008965214 569491368 /nfs/dbraw/zinc/49/13/68/569491368.db2.gz BRBCPIJMDVVTJX-MRXNPFEDSA-N 0 0 430.464 3.732 50 0 IHAARN CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCC1 ZINC000008965681 569491473 /nfs/dbraw/zinc/49/14/73/569491473.db2.gz IEQZTJBDWHPABI-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Oc3ccc(OCCN4CCOCC4)cc3)c12 ZINC000040146334 569492287 /nfs/dbraw/zinc/49/22/87/569492287.db2.gz DNBUNDYVMTYERE-UHFFFAOYSA-N 0 0 449.463 3.721 50 0 IHAARN CN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]c(Cc5ccccc5F)nc4c3)cc2C1=O ZINC000040150149 569493168 /nfs/dbraw/zinc/49/31/68/569493168.db2.gz NQYHQAVOOPMWNS-UHFFFAOYSA-N 0 0 428.423 3.771 50 0 IHAARN COC(=O)C[C@@H](NC(=O)NCCOc1cccc(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000040151574 569493265 /nfs/dbraw/zinc/49/32/65/569493265.db2.gz RHBKZUBLEBIMAG-GOSISDBHSA-N 0 0 440.418 3.876 50 0 IHAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000040156299 569494078 /nfs/dbraw/zinc/49/40/78/569494078.db2.gz VXKMCQOVFXWSMB-UHFFFAOYSA-N 0 0 436.899 3.904 50 0 IHAARN CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000040156196 569494138 /nfs/dbraw/zinc/49/41/38/569494138.db2.gz QRIZLGAXQYWRKH-RDTXWAMCSA-N 0 0 439.375 3.525 50 0 IHAARN COc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)cc1OC ZINC000040157113 569494227 /nfs/dbraw/zinc/49/42/27/569494227.db2.gz XNPWKUIBGSICDM-UHFFFAOYSA-N 0 0 426.332 3.824 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)c2c(C)noc2C)c2c[nH]c3ccccc32)cc1 ZINC000008981876 569494433 /nfs/dbraw/zinc/49/44/33/569494433.db2.gz USMWYCDRTGTHDR-LJQANCHMSA-N 0 0 425.510 3.892 50 0 IHAARN Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000008982685 569494509 /nfs/dbraw/zinc/49/45/09/569494509.db2.gz DHPHWYISNOYFOX-IBGZPJMESA-N 0 0 440.931 3.744 50 0 IHAARN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2c1ccc(Cl)cc1 ZINC000008990545 569494994 /nfs/dbraw/zinc/49/49/94/569494994.db2.gz LWIPMBCNDPMXLH-NRFANRHFSA-N 0 0 432.915 3.847 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000008990298 569495004 /nfs/dbraw/zinc/49/50/04/569495004.db2.gz IKFZMLWCAJFYFU-UHFFFAOYSA-N 0 0 428.448 3.822 50 0 IHAARN Cc1cc(O)c2c(C)c(CC(=O)N3CCN(c4nsc5ccccc54)CC3)c(=O)oc2c1 ZINC000008991210 569495238 /nfs/dbraw/zinc/49/52/38/569495238.db2.gz FCZHQGYGJPVEGL-UHFFFAOYSA-N 0 0 449.532 3.616 50 0 IHAARN COc1ccc(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c(OC)c1 ZINC000008995055 569495656 /nfs/dbraw/zinc/49/56/56/569495656.db2.gz HLYOMFSNYZYSTD-UHFFFAOYSA-N 0 0 425.437 3.617 50 0 IHAARN COc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009006120 569496107 /nfs/dbraw/zinc/49/61/07/569496107.db2.gz PIUXYYOFWIAOEZ-FQEVSTJZSA-N 0 0 430.913 3.689 50 0 IHAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc2c(c1)OCCCO2 ZINC000009028249 569497025 /nfs/dbraw/zinc/49/70/25/569497025.db2.gz UVGNSWHASZJEFF-HNNXBMFYSA-N 0 0 437.521 3.980 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(=O)N2 ZINC000040266860 569497286 /nfs/dbraw/zinc/49/72/86/569497286.db2.gz YCDVBHYHBZJPNX-CQSZACIVSA-N 0 0 425.399 3.652 50 0 IHAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OCC(C)C ZINC000040283797 569497889 /nfs/dbraw/zinc/49/78/89/569497889.db2.gz XMQTXLQUYIGMPS-INIZCTEOSA-N 0 0 447.499 3.785 50 0 IHAARN COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3cccc(NC(C)=O)c3)cn(C3CC3)c21 ZINC000009049773 569498536 /nfs/dbraw/zinc/49/85/36/569498536.db2.gz QALPKCAWORIVDS-UHFFFAOYSA-N 0 0 427.407 3.834 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000009050766 569498606 /nfs/dbraw/zinc/49/86/06/569498606.db2.gz NALGSKPELYSSCS-NRFANRHFSA-N 0 0 433.552 3.707 50 0 IHAARN COCCNc1nnc(SCc2nnc(-c3ccccc3Br)o2)s1 ZINC000009052654 569498767 /nfs/dbraw/zinc/49/87/67/569498767.db2.gz FWHXRQQWWRKAKE-UHFFFAOYSA-N 0 0 428.337 3.701 50 0 IHAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009055693 569498939 /nfs/dbraw/zinc/49/89/39/569498939.db2.gz DTESJRFKWTVYEF-UHFFFAOYSA-N 0 0 428.444 3.900 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000009056223 569498964 /nfs/dbraw/zinc/49/89/64/569498964.db2.gz FVMIRYWGTNWCOP-UHFFFAOYSA-N 0 0 441.491 3.654 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)n2)cc1 ZINC000009056579 569499097 /nfs/dbraw/zinc/49/90/97/569499097.db2.gz IUZOLDYVCFPWKG-PEBXRYMYSA-N 0 0 426.542 3.812 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245228485 569499753 /nfs/dbraw/zinc/49/97/53/569499753.db2.gz ACRSAJGJBWWJCO-QZTZHPFYSA-N 0 0 427.545 3.694 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(F)c(F)c1 ZINC000040355622 569499795 /nfs/dbraw/zinc/49/97/95/569499795.db2.gz CNAUEWIYWRUJJN-UHFFFAOYSA-N 0 0 442.491 3.632 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1cc(F)cc(F)c1 ZINC000040355867 569499871 /nfs/dbraw/zinc/49/98/71/569499871.db2.gz PNWIRXVDFLQOKM-UHFFFAOYSA-N 0 0 442.491 3.632 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000009071675 569500172 /nfs/dbraw/zinc/50/01/72/569500172.db2.gz ZNPVUMVFOCZXAP-MRXNPFEDSA-N 0 0 435.505 3.860 50 0 IHAARN O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009086845 569500656 /nfs/dbraw/zinc/50/06/56/569500656.db2.gz OIZHACYCJSJBLX-JJRVBVJISA-N 0 0 432.320 3.809 50 0 IHAARN COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009094880 569501280 /nfs/dbraw/zinc/50/12/80/569501280.db2.gz AQFPVQVVNSLBDF-OAQYLSRUSA-N 0 0 444.940 3.877 50 0 IHAARN COc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009094881 569501290 /nfs/dbraw/zinc/50/12/90/569501290.db2.gz AQFPVQVVNSLBDF-NRFANRHFSA-N 0 0 444.940 3.877 50 0 IHAARN CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000009098063 569501523 /nfs/dbraw/zinc/50/15/23/569501523.db2.gz XSQNKPKEZXPVJJ-VGOFRKELSA-N 0 0 435.524 3.796 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000040405348 569501647 /nfs/dbraw/zinc/50/16/47/569501647.db2.gz HQVATGSHMIDDRJ-DEOSSOPVSA-N 0 0 449.595 3.823 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000009103425 569501772 /nfs/dbraw/zinc/50/17/72/569501772.db2.gz VZHJARFCAWJBDX-HNNXBMFYSA-N 0 0 427.526 3.947 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000245267419 569501907 /nfs/dbraw/zinc/50/19/07/569501907.db2.gz LQDKNJLLJULMEN-RVKKMQEKSA-N 0 0 443.407 3.545 50 0 IHAARN Cn1c2nc(SCc3ccc4ccccc4c3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000009110397 569502132 /nfs/dbraw/zinc/50/21/32/569502132.db2.gz SPSYDLBJPKCYRV-UHFFFAOYSA-N 0 0 442.544 3.928 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000009112519 569502377 /nfs/dbraw/zinc/50/23/77/569502377.db2.gz FDGYIKUSCMXOQK-CMJOXMDJSA-N 0 0 425.533 3.522 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccccc2)c1=O)Nc1ccccc1 ZINC000009116490 569502919 /nfs/dbraw/zinc/50/29/19/569502919.db2.gz OYSRNJBDQDQSBR-UHFFFAOYSA-N 0 0 425.444 3.596 50 0 IHAARN O=C(NCc1ccco1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000009117239 569503092 /nfs/dbraw/zinc/50/30/92/569503092.db2.gz GZRVDZWDOIHQAP-UHFFFAOYSA-N 0 0 425.489 3.723 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccco5)C4)sc3n2)cc1 ZINC000009117429 569503172 /nfs/dbraw/zinc/50/31/72/569503172.db2.gz MOSBTZNHQMZCAX-INIZCTEOSA-N 0 0 437.525 3.592 50 0 IHAARN CCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1 ZINC000245326992 569503742 /nfs/dbraw/zinc/50/37/42/569503742.db2.gz HRMRASBWPGZQAK-PMACEKPBSA-N 0 0 438.952 3.800 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000009120225 569503766 /nfs/dbraw/zinc/50/37/66/569503766.db2.gz RLIYRAWAQRXEPR-SFHVURJKSA-N 0 0 444.981 3.538 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000009120645 569503978 /nfs/dbraw/zinc/50/39/78/569503978.db2.gz WRMSJWMRSMNBDI-UHFFFAOYSA-N 0 0 446.978 3.570 50 0 IHAARN Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1-c1ccc(C)cc1 ZINC000009121382 569504147 /nfs/dbraw/zinc/50/41/47/569504147.db2.gz CQTANMYARQZVKT-UHFFFAOYSA-N 0 0 441.582 3.654 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000009124753 569504438 /nfs/dbraw/zinc/50/44/38/569504438.db2.gz CFCVHTISBLYSQN-AWEZNQCLSA-N 0 0 447.413 3.687 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000009126924 569505100 /nfs/dbraw/zinc/50/51/00/569505100.db2.gz HOQSUAWQAOTTLJ-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN O=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009127295 569505153 /nfs/dbraw/zinc/50/51/53/569505153.db2.gz LPQSIPHWNDBLFF-UHFFFAOYSA-N 0 0 425.312 3.945 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000009127899 569505276 /nfs/dbraw/zinc/50/52/76/569505276.db2.gz CRTOTGPNEMVHGM-UHFFFAOYSA-N 0 0 442.899 3.987 50 0 IHAARN CN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009127954 569505318 /nfs/dbraw/zinc/50/53/18/569505318.db2.gz JQYVBLQSVUOIMA-UHFFFAOYSA-N 0 0 426.563 3.767 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNc2ccccc2C(C)=O)cc1 ZINC000009128459 569505418 /nfs/dbraw/zinc/50/54/18/569505418.db2.gz MVLIYWLLTUOLEN-UHFFFAOYSA-N 0 0 445.519 3.921 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450420 569506313 /nfs/dbraw/zinc/50/63/13/569506313.db2.gz NDZIBZRMZPDYLJ-UHFFFAOYSA-N 0 0 429.380 3.559 50 0 IHAARN O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC[C@@H]1CCCO1 ZINC000009138304 569507191 /nfs/dbraw/zinc/50/71/91/569507191.db2.gz HGLCSXZDCWAWCW-AWEZNQCLSA-N 0 0 438.343 3.533 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1cccc(F)c1)n2C ZINC000009153800 569508195 /nfs/dbraw/zinc/50/81/95/569508195.db2.gz HEVPJUPWRWBJCM-UHFFFAOYSA-N 0 0 443.478 3.899 50 0 IHAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000009169970 569509208 /nfs/dbraw/zinc/50/92/08/569509208.db2.gz XCRYEYXMFZSQOZ-LLVKDONJSA-N 0 0 430.309 3.672 50 0 IHAARN CSc1nc2sc3c(c2c(SCC(=O)NC[C@H]2CCCO2)n1)CC(C)(C)OC3 ZINC000009158140 569508483 /nfs/dbraw/zinc/50/84/83/569508483.db2.gz QJRSOCGBBSSHEC-LLVKDONJSA-N 0 0 439.628 3.652 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000009172583 569509528 /nfs/dbraw/zinc/50/95/28/569509528.db2.gz VFCIJRXVSYNZJV-AWEZNQCLSA-N 0 0 446.345 3.858 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009174172 569509610 /nfs/dbraw/zinc/50/96/10/569509610.db2.gz OMDIJTYMCSYOGH-UHFFFAOYSA-N 0 0 446.507 3.622 50 0 IHAARN Cc1ccc(Nc2nc(OCCNC(=O)Nc3ccc(Cl)cc3)nc(N(C)C)n2)cc1 ZINC000009185252 569510078 /nfs/dbraw/zinc/51/00/78/569510078.db2.gz CPALEDQJBPDQKK-UHFFFAOYSA-N 0 0 441.923 3.844 50 0 IHAARN COCCCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1nc1ccccn1c2=O ZINC000009186997 569510239 /nfs/dbraw/zinc/51/02/39/569510239.db2.gz IIHJIGJARLBGRR-UHFFFAOYSA-N 0 0 444.413 3.957 50 0 IHAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000009187098 569510255 /nfs/dbraw/zinc/51/02/55/569510255.db2.gz NZIBFMSZEYDFAQ-UHFFFAOYSA-N 0 0 433.541 3.903 50 0 IHAARN CCOc1c(Cl)cc(C(=O)NCCc2cc(OC)c(OC)cc2C(C)=O)cc1OC ZINC000009187455 569510349 /nfs/dbraw/zinc/51/03/49/569510349.db2.gz YOXUKTKXKNYGOQ-UHFFFAOYSA-N 0 0 435.904 3.940 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009197447 569511075 /nfs/dbraw/zinc/51/10/75/569511075.db2.gz PKSKICXSGIJVHW-RTBURBONSA-N 0 0 427.505 3.776 50 0 IHAARN CCCCn1c(CSc2n[nH]c(-c3ccccc3)n2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009200479 569511152 /nfs/dbraw/zinc/51/11/52/569511152.db2.gz AUHHWZHRURGJFY-UHFFFAOYSA-N 0 0 442.570 3.561 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)c1C ZINC000009207573 569511465 /nfs/dbraw/zinc/51/14/65/569511465.db2.gz XBIUJRXVKVFOJM-UHFFFAOYSA-N 0 0 449.598 3.769 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)Nc3cccc(Cl)c3C)ccc21 ZINC000009211628 569511802 /nfs/dbraw/zinc/51/18/02/569511802.db2.gz AAVGQCOIXJZNHJ-ZDUSSCGKSA-N 0 0 434.945 3.748 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000009216893 569512212 /nfs/dbraw/zinc/51/22/12/569512212.db2.gz HIAYQSKLCDOACS-INIZCTEOSA-N 0 0 431.496 3.871 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc(CNC(=O)NC(C)C)cc1 ZINC000009222695 569512767 /nfs/dbraw/zinc/51/27/67/569512767.db2.gz MCVVOWQKYWALJE-UHFFFAOYSA-N 0 0 449.507 3.894 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009226344 569513288 /nfs/dbraw/zinc/51/32/88/569513288.db2.gz BRMYDBOYOGWNND-GJZGRUSLSA-N 0 0 432.567 3.785 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 ZINC000009238483 569514326 /nfs/dbraw/zinc/51/43/26/569514326.db2.gz UZEGDIKKXKRMQF-VQTJNVASSA-N 0 0 435.553 3.725 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239227 569514509 /nfs/dbraw/zinc/51/45/09/569514509.db2.gz LKDRSZWOVUMVKH-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000009239313 569514512 /nfs/dbraw/zinc/51/45/12/569514512.db2.gz KHBYPWIZBOQYLB-RTBURBONSA-N 0 0 427.505 3.776 50 0 IHAARN Cc1nc(Cc2nnc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cs1 ZINC000009244448 569515055 /nfs/dbraw/zinc/51/50/55/569515055.db2.gz WVTNJPLDSHYMPP-UHFFFAOYSA-N 0 0 440.554 3.959 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009244659 569515148 /nfs/dbraw/zinc/51/51/48/569515148.db2.gz IYCQRRJQNJUBJM-UHFFFAOYSA-N 0 0 435.358 3.575 50 0 IHAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OC)c(Br)c1 ZINC000009249808 569515488 /nfs/dbraw/zinc/51/54/88/569515488.db2.gz KYFRCZDQJMFPFV-LLVKDONJSA-N 0 0 438.347 3.528 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)ccc1O ZINC000009249742 569515522 /nfs/dbraw/zinc/51/55/22/569515522.db2.gz KWISPVTXVWUUJM-INIZCTEOSA-N 0 0 437.521 3.651 50 0 IHAARN Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc3c(c2)OCCO3)c1 ZINC000009249951 569515609 /nfs/dbraw/zinc/51/56/09/569515609.db2.gz AZUPJYVBFQUCEA-KRWDZBQOSA-N 0 0 449.532 3.626 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)[C@@H](CC)n2c3ccccc3c3nc(=O)cc(C)n32)c1 ZINC000009251472 569515917 /nfs/dbraw/zinc/51/59/17/569515917.db2.gz HKTTUVARZPEWKP-LJQANCHMSA-N 0 0 432.480 3.724 50 0 IHAARN C=C1C(Nc2ccccc2C(=O)OC)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009251807 569515985 /nfs/dbraw/zinc/51/59/85/569515985.db2.gz QVZBWJFELYPENH-UHFFFAOYSA-N 0 0 435.299 3.821 50 0 IHAARN COc1ccc(CCCc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1C ZINC000009263560 569517142 /nfs/dbraw/zinc/51/71/42/569517142.db2.gz JDGLPEVQELQSAK-AWEZNQCLSA-N 0 0 431.587 3.883 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21 ZINC000009267999 569517520 /nfs/dbraw/zinc/51/75/20/569517520.db2.gz RXUPEMHUSXTKCR-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C)c1 ZINC000009282928 569518798 /nfs/dbraw/zinc/51/87/98/569518798.db2.gz GGMCPAUGPRDJOU-UHFFFAOYSA-N 0 0 440.487 3.777 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3cccs3)c2cc1C(C)C ZINC000009284064 569518992 /nfs/dbraw/zinc/51/89/92/569518992.db2.gz JPGXTHXWQILCFH-UHFFFAOYSA-N 0 0 449.550 3.698 50 0 IHAARN CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)c1 ZINC000009293065 569520171 /nfs/dbraw/zinc/52/01/71/569520171.db2.gz BUSJYWJSGIGCAU-NRFANRHFSA-N 0 0 427.888 3.680 50 0 IHAARN O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000069840489 569520793 /nfs/dbraw/zinc/52/07/93/569520793.db2.gz GZKHDGJUZUTMJS-XMMPIXPASA-N 0 0 444.583 3.959 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000009308467 569521502 /nfs/dbraw/zinc/52/15/02/569521502.db2.gz KFGKDELRGWCOKS-UHFFFAOYSA-N 0 0 435.303 3.546 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009315616 569522184 /nfs/dbraw/zinc/52/21/84/569522184.db2.gz BWQIPJVZIGUCGK-HSZRJFAPSA-N 0 0 427.504 3.793 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)n1 ZINC000009317421 569522326 /nfs/dbraw/zinc/52/23/26/569522326.db2.gz CHNBZEAWXUFLHJ-UHFFFAOYSA-N 0 0 431.499 3.602 50 0 IHAARN O=C(COC(=O)CC1CCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009335209 569523303 /nfs/dbraw/zinc/52/33/03/569523303.db2.gz LAEJGRQPFRZEQW-UHFFFAOYSA-N 0 0 442.965 3.577 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)ccc1C ZINC000009335403 569523358 /nfs/dbraw/zinc/52/33/58/569523358.db2.gz AMHMUZVJEBHVOF-UHFFFAOYSA-N 0 0 446.598 3.941 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(C)n1-c1nc[nH]n1 ZINC000009336613 569523448 /nfs/dbraw/zinc/52/34/48/569523448.db2.gz AWCPSXCKJJMLPW-UHFFFAOYSA-N 0 0 444.904 3.803 50 0 IHAARN O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)Nc2cccc3ncccc32)CC1 ZINC000009340417 569523818 /nfs/dbraw/zinc/52/38/18/569523818.db2.gz ICSDWVUKHOKHCH-UHFFFAOYSA-N 0 0 444.535 3.526 50 0 IHAARN CCCCCOc1ccccc1/C=c1/sc2nc([C@H]3COc4ccccc4O3)nn2c1=O ZINC000009346168 569524193 /nfs/dbraw/zinc/52/41/93/569524193.db2.gz YIHDOGDQAFDBOB-DOAWATSRSA-N 0 0 449.532 3.780 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCN(C(=O)OCC)C2 ZINC000009347585 569524245 /nfs/dbraw/zinc/52/42/45/569524245.db2.gz KDNBYASJGLVEGV-UHFFFAOYSA-N 0 0 432.498 3.700 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCc2ccccc2C1 ZINC000009356498 569525496 /nfs/dbraw/zinc/52/54/96/569525496.db2.gz BEBUEENRFNBYQI-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)c1 ZINC000009364215 569525992 /nfs/dbraw/zinc/52/59/92/569525992.db2.gz RUUQZEKURAFNEZ-UHFFFAOYSA-N 0 0 444.538 3.847 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c(C)c1 ZINC000009365133 569526092 /nfs/dbraw/zinc/52/60/92/569526092.db2.gz QWTNCYJGJHZZCD-UHFFFAOYSA-N 0 0 428.539 3.903 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009365016 569526135 /nfs/dbraw/zinc/52/61/35/569526135.db2.gz JGRFKVYMQHPVDN-INIZCTEOSA-N 0 0 441.487 3.956 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c1 ZINC000009365796 569526169 /nfs/dbraw/zinc/52/61/69/569526169.db2.gz VQHZQAHNFGHAOF-UHFFFAOYSA-N 0 0 448.501 3.678 50 0 IHAARN Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n(C2CCCC2)c1C ZINC000009366849 569526269 /nfs/dbraw/zinc/52/62/69/569526269.db2.gz DFTOQSINLPVFLU-UHFFFAOYSA-N 0 0 435.615 3.928 50 0 IHAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cn1 ZINC000009376589 569527347 /nfs/dbraw/zinc/52/73/47/569527347.db2.gz DFXLNYUKHJRJLL-UHFFFAOYSA-N 0 0 449.891 3.614 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1 ZINC000009381069 569528101 /nfs/dbraw/zinc/52/81/01/569528101.db2.gz WVXICULENOQHCM-UHFFFAOYSA-N 0 0 445.610 3.771 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)CC ZINC000009381612 569528151 /nfs/dbraw/zinc/52/81/51/569528151.db2.gz DGVHMDDJVMBWPC-UHFFFAOYSA-N 0 0 439.415 3.991 50 0 IHAARN O=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009385150 569528385 /nfs/dbraw/zinc/52/83/85/569528385.db2.gz MXDVXHPKGOAACC-UHFFFAOYSA-N 0 0 428.341 3.829 50 0 IHAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)Nc2ccccc2)s1 ZINC000009391070 569528898 /nfs/dbraw/zinc/52/88/98/569528898.db2.gz FHXSZAXHMKOXGX-CLFYSBASSA-N 0 0 440.506 3.650 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 ZINC000009392189 569529073 /nfs/dbraw/zinc/52/90/73/569529073.db2.gz VMUBVHRGSBLQQW-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN O=C1c2ccccc2C(=O)N1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000009393680 569529086 /nfs/dbraw/zinc/52/90/86/569529086.db2.gz XJUNIRHNQRBCJE-ZDUSSCGKSA-N 0 0 426.523 3.531 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000009404856 569529750 /nfs/dbraw/zinc/52/97/50/569529750.db2.gz FCHUYVUNWYPLMJ-XTQSDGFTSA-N 0 0 449.573 3.931 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c1 ZINC000009405361 569529864 /nfs/dbraw/zinc/52/98/64/569529864.db2.gz QWJVFOFBQOORBE-UHFFFAOYSA-N 0 0 437.550 3.644 50 0 IHAARN CC(C)N(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)C1CCCCC1 ZINC000009405436 569529900 /nfs/dbraw/zinc/52/99/00/569529900.db2.gz UIIAXEAJJSJRQO-UHFFFAOYSA-N 0 0 429.586 3.960 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 ZINC000009408529 569530629 /nfs/dbraw/zinc/53/06/29/569530629.db2.gz CXUKGVUXPJHCCR-UHFFFAOYSA-N 0 0 444.535 3.932 50 0 IHAARN CCOc1cc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000009408919 569530709 /nfs/dbraw/zinc/53/07/09/569530709.db2.gz ZIMZOJXVKKUDFO-IQMFZBJNSA-N 0 0 435.480 3.611 50 0 IHAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1OCC ZINC000009409039 569530838 /nfs/dbraw/zinc/53/08/38/569530838.db2.gz ZPGOUKFILNPQQE-HSZRJFAPSA-N 0 0 437.496 3.771 50 0 IHAARN CC(=O)N[C@@H]1c2cc(Br)ccc2N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000009409642 569531057 /nfs/dbraw/zinc/53/10/57/569531057.db2.gz OMYVWZLBVSNBNQ-QGZVFWFLSA-N 0 0 437.677 3.555 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S@@](=O)C3)cc1 ZINC000009413502 569531782 /nfs/dbraw/zinc/53/17/82/569531782.db2.gz UTCSTTZWJWOSHI-MHZLTWQESA-N 0 0 446.326 3.658 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)C[S@@](=O)C3)cc1 ZINC000009413625 569531837 /nfs/dbraw/zinc/53/18/37/569531837.db2.gz MXLJYMOUAYVEJG-PMERELPUSA-N 0 0 435.427 3.914 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)Nc1ccc2c(c1)OCO2 ZINC000009414888 569532065 /nfs/dbraw/zinc/53/20/65/569532065.db2.gz DPKYJTTXKMWTHR-UHFFFAOYSA-N 0 0 439.884 3.904 50 0 IHAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(OC)cc4)nn32)cc1 ZINC000009415265 569532189 /nfs/dbraw/zinc/53/21/89/569532189.db2.gz FVPIPVYTHPZDCR-UHFFFAOYSA-N 0 0 435.509 3.929 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)OCc4ccccc4)nn32)cc1OC ZINC000009415572 569532213 /nfs/dbraw/zinc/53/22/13/569532213.db2.gz GHEWTINZVDTXAA-UHFFFAOYSA-N 0 0 436.493 3.644 50 0 IHAARN CCOc1ccc(N(C(=O)c2cccc(Br)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009415837 569532271 /nfs/dbraw/zinc/53/22/71/569532271.db2.gz FIWHGXRWTYIEEZ-QGZVFWFLSA-N 0 0 436.327 3.805 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)Nc4cccnc4)ccc3c2=O)cc1OC ZINC000009422056 569532858 /nfs/dbraw/zinc/53/28/58/569532858.db2.gz KJJYIUQHUXRACP-UHFFFAOYSA-N 0 0 432.432 3.890 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4cccnc4)ccc3c2=O)cc1OC ZINC000009423360 569532972 /nfs/dbraw/zinc/53/29/72/569532972.db2.gz FYSYTEFPXTVAAA-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 biogenic IHAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4ccncc4)ccc3c2=O)cc1OC ZINC000009423896 569533005 /nfs/dbraw/zinc/53/30/05/569533005.db2.gz NVEFIVBCXOGFKK-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 biogenic IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000009429743 569533774 /nfs/dbraw/zinc/53/37/74/569533774.db2.gz JCVOJJGEGUUJAF-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000009431335 569534148 /nfs/dbraw/zinc/53/41/48/569534148.db2.gz DFCVOSRMQKVGRJ-HZPDHXFCSA-N 0 0 425.934 3.533 50 0 IHAARN CCCCCn1c2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009438590 569534950 /nfs/dbraw/zinc/53/49/50/569534950.db2.gz MFJAVJAGMJFGSF-UHFFFAOYSA-N 0 0 440.569 3.896 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009440750 569535263 /nfs/dbraw/zinc/53/52/63/569535263.db2.gz RKSODOUZVBUMOG-LBPRGKRZSA-N 0 0 438.958 3.884 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000009440885 569535315 /nfs/dbraw/zinc/53/53/15/569535315.db2.gz KWUUVXJNJYBTKM-UHFFFAOYSA-N 0 0 438.505 3.941 50 0 IHAARN CCCCCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1OC ZINC000009441010 569535320 /nfs/dbraw/zinc/53/53/20/569535320.db2.gz SVIGEQWYUFYWRL-HXUWFJFHSA-N 0 0 436.574 3.637 50 0 IHAARN CCn1cc(C(=O)c2cc(C)ccc2O)cc1-c1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000009458519 569536755 /nfs/dbraw/zinc/53/67/55/569536755.db2.gz DKKZMNSLTOALRK-UHFFFAOYSA-N 0 0 433.464 3.674 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000009457206 569536794 /nfs/dbraw/zinc/53/67/94/569536794.db2.gz VPAWLTJPTXDTBZ-MJGOQNOKSA-N 0 0 435.973 3.940 50 0 IHAARN O=C(CSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCCC1 ZINC000009461385 569536986 /nfs/dbraw/zinc/53/69/86/569536986.db2.gz WFAGRDFJTXLEIP-UHFFFAOYSA-N 0 0 438.553 3.897 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009461594 569537080 /nfs/dbraw/zinc/53/70/80/569537080.db2.gz QVAIWXFDCBGFOS-NRFANRHFSA-N 0 0 437.521 3.861 50 0 IHAARN COc1ccc2oc(C(=O)OCC(=O)NC(=O)CCSc3ccccc3)c(C)c2c1 ZINC000009463336 569537416 /nfs/dbraw/zinc/53/74/16/569537416.db2.gz OKGJWEIIRLPURQ-UHFFFAOYSA-N 0 0 427.478 3.732 50 0 IHAARN Cc1c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)sc2nc3n(c(=O)c12)CCC3 ZINC000009465114 569537836 /nfs/dbraw/zinc/53/78/36/569537836.db2.gz VYWQUMMAHMSRDD-UHFFFAOYSA-N 0 0 442.884 3.773 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)on1 ZINC000009466095 569538164 /nfs/dbraw/zinc/53/81/64/569538164.db2.gz WHHJSLOHNFAKAI-UHFFFAOYSA-N 0 0 441.344 3.982 50 0 IHAARN Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]c1Cc1ccccc1 ZINC000009467095 569538330 /nfs/dbraw/zinc/53/83/30/569538330.db2.gz SAXHYHFTVXRYHV-UHFFFAOYSA-N 0 0 443.594 3.622 50 0 IHAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000009468530 569538640 /nfs/dbraw/zinc/53/86/40/569538640.db2.gz KLVPQEHTZGVSMD-UHFFFAOYSA-N 0 0 431.496 3.503 50 0 IHAARN COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000009479963 569539443 /nfs/dbraw/zinc/53/94/43/569539443.db2.gz WZIHEZLHHINAGY-UHFFFAOYSA-N 0 0 432.432 3.521 50 0 IHAARN CN(Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1)S(=O)(=O)c1ccc(F)cc1 ZINC000009485941 569539585 /nfs/dbraw/zinc/53/95/85/569539585.db2.gz MWCCXTCDOTVRDN-UHFFFAOYSA-N 0 0 431.367 3.595 50 0 IHAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000009488431 569539908 /nfs/dbraw/zinc/53/99/08/569539908.db2.gz WWQWVKOUGDHTET-UHFFFAOYSA-N 0 0 433.541 3.651 50 0 IHAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000009492267 569540590 /nfs/dbraw/zinc/54/05/90/569540590.db2.gz GMDLRQQRANCUAR-UHFFFAOYSA-N 0 0 431.703 3.753 50 0 IHAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000009493061 569540670 /nfs/dbraw/zinc/54/06/70/569540670.db2.gz QIIMRCHQRISESG-UHFFFAOYSA-N 0 0 440.569 3.700 50 0 IHAARN CSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000009493446 569540748 /nfs/dbraw/zinc/54/07/48/569540748.db2.gz UKGALCHADUNSIK-UHFFFAOYSA-N 0 0 429.361 3.576 50 0 IHAARN COc1cccc(-n2c(S[C@@H](C)C(N)=O)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000009501014 569541639 /nfs/dbraw/zinc/54/16/39/569541639.db2.gz KEBKCVRHFTWNHV-LBPRGKRZSA-N 0 0 429.567 3.691 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NCc1ccccc1 ZINC000009508227 569542252 /nfs/dbraw/zinc/54/22/52/569542252.db2.gz TUHUVSRPJCXFQR-UHFFFAOYSA-N 0 0 447.314 3.617 50 0 IHAARN CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000009509627 569542646 /nfs/dbraw/zinc/54/26/46/569542646.db2.gz ZGGUYRHEBVKERD-UHFFFAOYSA-N 0 0 426.888 3.674 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc4[nH]cnc4c3)s2)cc1 ZINC000009511888 569542864 /nfs/dbraw/zinc/54/28/64/569542864.db2.gz VUIYDRIMJVFSIN-UHFFFAOYSA-N 0 0 425.495 3.746 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000009512976 569543059 /nfs/dbraw/zinc/54/30/59/569543059.db2.gz ROMFYGIUUXZGSQ-MRXNPFEDSA-N 0 0 444.586 3.662 50 0 IHAARN CCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2cccc(OCC)c2oc1=O ZINC000009517241 569543619 /nfs/dbraw/zinc/54/36/19/569543619.db2.gz GTZNRAJVKVGFNR-UHFFFAOYSA-N 0 0 436.416 3.907 50 0 biogenic IHAARN CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 ZINC000009517685 569543695 /nfs/dbraw/zinc/54/36/95/569543695.db2.gz MZNFTFJYUMEMTR-UHFFFAOYSA-N 0 0 431.934 3.614 50 0 IHAARN CCCCn1c2nc(CCC(=O)Nc3ccc(Cl)cc3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000009520396 569544345 /nfs/dbraw/zinc/54/43/45/569544345.db2.gz HDWPIRZZFSONFF-UHFFFAOYSA-N 0 0 445.951 3.567 50 0 IHAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000009535854 569545556 /nfs/dbraw/zinc/54/55/56/569545556.db2.gz SCIPZTSVAMXBQA-NRFANRHFSA-N 0 0 443.297 3.504 50 0 IHAARN O=C(COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1)NC1CCCCCC1 ZINC000009540538 569545823 /nfs/dbraw/zinc/54/58/23/569545823.db2.gz KMHCZNHHUSTUTR-HSZRJFAPSA-N 0 0 434.536 3.636 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl ZINC000009544900 569546057 /nfs/dbraw/zinc/54/60/57/569546057.db2.gz JISGBUZOVZWBOK-DJJJIMSYSA-N 0 0 438.958 3.948 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2F)cc1 ZINC000009545730 569546150 /nfs/dbraw/zinc/54/61/50/569546150.db2.gz CLACHWKADJJZKW-UHFFFAOYSA-N 0 0 440.500 3.713 50 0 IHAARN COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC ZINC000009545465 569546156 /nfs/dbraw/zinc/54/61/56/569546156.db2.gz RBRUMAJDXUMDAN-UHFFFAOYSA-N 0 0 440.521 3.743 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000009548460 569546421 /nfs/dbraw/zinc/54/64/21/569546421.db2.gz LDBRWNBMPZAOKG-BVZFJXPGSA-N 0 0 449.507 3.680 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2S1 ZINC000009560118 569547077 /nfs/dbraw/zinc/54/70/77/569547077.db2.gz SYCLUIYQIDSNHH-HNNXBMFYSA-N 0 0 441.578 3.524 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009562277 569547305 /nfs/dbraw/zinc/54/73/05/569547305.db2.gz IRSCVZMNNDTSET-UHFFFAOYSA-N 0 0 441.600 3.601 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1OC ZINC000009568839 569547440 /nfs/dbraw/zinc/54/74/40/569547440.db2.gz WDVGDMDKGKHXNR-CYBMUJFWSA-N 0 0 439.390 3.529 50 0 IHAARN COc1cccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1OC ZINC000009568911 569547459 /nfs/dbraw/zinc/54/74/59/569547459.db2.gz SPFYTDWCEAWNRH-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C ZINC000009569009 569547554 /nfs/dbraw/zinc/54/75/54/569547554.db2.gz IWNTUSQAOZHERU-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN O=C(CSc1nnc(NC(=O)c2nc3ccccc3s2)s1)NC1CCCCC1 ZINC000070635058 569548617 /nfs/dbraw/zinc/54/86/17/569548617.db2.gz UFEYTJQECDJMES-UHFFFAOYSA-N 0 0 433.584 3.941 50 0 IHAARN CC(C)[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCCO2 ZINC000009580535 569548794 /nfs/dbraw/zinc/54/87/94/569548794.db2.gz NNPMHCOETKSSME-HXUWFJFHSA-N 0 0 440.525 3.899 50 0 IHAARN Cc1cc(OCC(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc(C)c1Cl ZINC000070637539 569548951 /nfs/dbraw/zinc/54/89/51/569548951.db2.gz LFOBNOAHZZTMQD-UHFFFAOYSA-N 0 0 429.879 3.515 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)ccc1Br ZINC000070638134 569548995 /nfs/dbraw/zinc/54/89/95/569548995.db2.gz BYBDKHMNPRCNTH-HNNXBMFYSA-N 0 0 441.333 3.588 50 0 IHAARN COc1cc([C@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)ccc1OC(=O)c1ccccc1 ZINC000009585225 569549479 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O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccccc1Cl ZINC000009599958 569551370 /nfs/dbraw/zinc/55/13/70/569551370.db2.gz PXMKUJZFYPZLQL-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 ZINC000009599942 569551396 /nfs/dbraw/zinc/55/13/96/569551396.db2.gz MYMSNRLLEXVLRE-UHFFFAOYSA-N 0 0 434.930 3.940 50 0 IHAARN COc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)c1 ZINC000009600047 569551448 /nfs/dbraw/zinc/55/14/48/569551448.db2.gz CZONNEJUGRAGLA-UHFFFAOYSA-N 0 0 442.522 3.732 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1ccncc1 ZINC000009602034 569551661 /nfs/dbraw/zinc/55/16/61/569551661.db2.gz IDUBBGLJOGONCG-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000009605715 569551908 /nfs/dbraw/zinc/55/19/08/569551908.db2.gz QQWWCMTVZHVTLL-UHFFFAOYSA-N 0 0 447.988 3.653 50 0 IHAARN COc1ccc(Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1Br ZINC000009608629 569552191 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569554236 /nfs/dbraw/zinc/55/42/36/569554236.db2.gz VPDSCNIQIPQSCQ-UHFFFAOYSA-N 0 0 429.523 3.732 50 0 IHAARN COCCn1c(SCc2cc(=O)n3c(C)cccc3n2)nnc1-c1ccc(Cl)cc1 ZINC000009633772 569554318 /nfs/dbraw/zinc/55/43/18/569554318.db2.gz NQNGRLPIQRFNNQ-UHFFFAOYSA-N 0 0 441.944 3.854 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000009634477 569554448 /nfs/dbraw/zinc/55/44/48/569554448.db2.gz XEZQOWPPRGULDB-LAUBAEHRSA-N 0 0 440.565 3.792 50 0 IHAARN Cc1nn(C)c2c1[C@@H](c1cccc(Cl)c1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000009634369 569554466 /nfs/dbraw/zinc/55/44/66/569554466.db2.gz BHOBWLLSKXWOOQ-MSOLQXFVSA-N 0 0 429.307 3.918 50 0 IHAARN C=C1C(N2CCC(C(=O)NC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000009642033 569555818 /nfs/dbraw/zinc/55/58/18/569555818.db2.gz RQRLOFGMHLAZHO-UHFFFAOYSA-N 0 0 435.977 3.584 50 0 IHAARN O=C(CSc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009642912 569555900 /nfs/dbraw/zinc/55/59/00/569555900.db2.gz KWUDTBVVNIUZEM-UHFFFAOYSA-N 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ZINC000009664249 569557431 /nfs/dbraw/zinc/55/74/31/569557431.db2.gz CZRFMJLEZOFYKF-FQEVSTJZSA-N 0 0 428.488 3.717 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1C1CC1 ZINC000009666187 569557671 /nfs/dbraw/zinc/55/76/71/569557671.db2.gz BKIJJHPWDMFIIG-UHFFFAOYSA-N 0 0 437.451 3.506 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009666744 569557777 /nfs/dbraw/zinc/55/77/77/569557777.db2.gz FUFYVGBEMILVQF-UHFFFAOYSA-N 0 0 448.566 3.829 50 0 IHAARN Cn1nc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O ZINC000009666712 569557822 /nfs/dbraw/zinc/55/78/22/569557822.db2.gz JXIOOGPOLKBEIR-UHFFFAOYSA-N 0 0 428.279 3.737 50 0 IHAARN CCn1c(CSc2nnc(-c3ccoc3C)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009670015 569558218 /nfs/dbraw/zinc/55/82/18/569558218.db2.gz NZKJXMZJESQBJO-UHFFFAOYSA-N 0 0 447.542 3.550 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3cccnc3Cl)o2)cc(OC)c1OC ZINC000009670526 569558336 /nfs/dbraw/zinc/55/83/36/569558336.db2.gz NIOLNQITXSGNBJ-UHFFFAOYSA-N 0 0 436.877 3.542 50 0 IHAARN COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC ZINC000009673275 569558903 /nfs/dbraw/zinc/55/89/03/569558903.db2.gz UTYLCRMOMNCDLL-FQEVSTJZSA-N 0 0 440.540 3.959 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3C)cc2C[C@H]1C ZINC000009677013 569559464 /nfs/dbraw/zinc/55/94/64/569559464.db2.gz GSPUFCQBABMELB-QGZVFWFLSA-N 0 0 428.554 3.794 50 0 IHAARN O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009679307 569559997 /nfs/dbraw/zinc/55/99/97/569559997.db2.gz OENXHQSMKKHAOH-UHFFFAOYSA-N 0 0 442.508 3.787 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000009681179 569560256 /nfs/dbraw/zinc/56/02/56/569560256.db2.gz FNMACWHIIXLBFM-QFIPXVFZSA-N 0 0 436.537 3.883 50 0 IHAARN COc1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 ZINC000009688387 569560846 /nfs/dbraw/zinc/56/08/46/569560846.db2.gz LZMNCMOWFQSYGB-UHFFFAOYSA-N 0 0 427.460 3.983 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC1CCCCC1 ZINC000009702645 569561299 /nfs/dbraw/zinc/56/12/99/569561299.db2.gz NRQZUPZPHKVRKS-HNNXBMFYSA-N 0 0 426.513 3.610 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009703755 569561343 /nfs/dbraw/zinc/56/13/43/569561343.db2.gz VBHQJMUWNRVTQI-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000009704269 569561486 /nfs/dbraw/zinc/56/14/86/569561486.db2.gz FRRKFBUTTBCDOB-UHFFFAOYSA-N 0 0 444.553 3.582 50 0 IHAARN CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cc(C)cc(C)c3s2)CC1 ZINC000009707710 569561659 /nfs/dbraw/zinc/56/16/59/569561659.db2.gz XHTAWMNKNXFNDG-UHFFFAOYSA-N 0 0 443.594 3.669 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708267 569561823 /nfs/dbraw/zinc/56/18/23/569561823.db2.gz GCFBMEPBSYNAQK-HXUWFJFHSA-N 0 0 439.968 3.938 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 ZINC000009708346 569561956 /nfs/dbraw/zinc/56/19/56/569561956.db2.gz 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COc1ccc(CCNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)cc1OC ZINC000009724597 569563723 /nfs/dbraw/zinc/56/37/23/569563723.db2.gz GYTGAJIKQSKALW-UHFFFAOYSA-N 0 0 434.540 3.592 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCCCC2 ZINC000009729227 569564222 /nfs/dbraw/zinc/56/42/22/569564222.db2.gz YTFBJDXEAOVMBY-UHFFFAOYSA-N 0 0 434.583 3.680 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(-c3csc(Cc4nc5ccccc5n4C)n3)ccc21 ZINC000009731371 569564551 /nfs/dbraw/zinc/56/45/51/569564551.db2.gz WSFYORADGRCGDG-UHFFFAOYSA-N 0 0 438.578 4.000 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)c(C)c2)c2ccco2)cc1 ZINC000009740569 569565155 /nfs/dbraw/zinc/56/51/55/569565155.db2.gz LDMFTITXSKSWNT-HXUWFJFHSA-N 0 0 437.514 3.529 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1OC ZINC000009741341 569565238 /nfs/dbraw/zinc/56/52/38/569565238.db2.gz CQDBVZIEQVKTNW-HXUWFJFHSA-N 0 0 431.535 3.710 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000009742011 569565393 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CCOC(=O)[C@]1(C(F)(F)F)N=C(N2CCCCC2)Oc2c1c(C)nn2-c1ccccc1 ZINC000009761246 569566203 /nfs/dbraw/zinc/56/62/03/569566203.db2.gz DXCGVEDHLIDGRV-HXUWFJFHSA-N 0 0 436.434 3.736 50 0 IHAARN O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)NCc1ccc(F)cc1 ZINC000009761509 569566292 /nfs/dbraw/zinc/56/62/92/569566292.db2.gz DTVTZXLOICRUOG-UHFFFAOYSA-N 0 0 448.317 3.543 50 0 IHAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)cc1 ZINC000071002896 569566581 /nfs/dbraw/zinc/56/65/81/569566581.db2.gz OOGMEOZDJWNPIV-UHFFFAOYSA-N 0 0 432.528 3.885 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009764704 569566761 /nfs/dbraw/zinc/56/67/61/569566761.db2.gz SVRJMQUNAPNDJT-UHFFFAOYSA-N 0 0 442.516 3.613 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 ZINC000009764897 569566787 /nfs/dbraw/zinc/56/67/87/569566787.db2.gz JEJVKESSSYHARL-UHFFFAOYSA-N 0 0 432.505 3.792 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)cc1 ZINC000009764495 569566790 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CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000009951996 569574568 /nfs/dbraw/zinc/57/45/68/569574568.db2.gz MQDRBDAMVULBFI-HNNXBMFYSA-N 0 0 429.546 3.662 50 0 IHAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009957432 569574782 /nfs/dbraw/zinc/57/47/82/569574782.db2.gz OQIUXNLOLCSGTB-QGZVFWFLSA-N 0 0 440.916 3.770 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C ZINC000071327020 569575058 /nfs/dbraw/zinc/57/50/58/569575058.db2.gz MEFGHXPTLJBCOR-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN O=C(Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000009959172 569575127 /nfs/dbraw/zinc/57/51/27/569575127.db2.gz SZUJPCULPMWKKT-UHFFFAOYSA-N 0 0 431.322 3.684 50 0 IHAARN O=C(COCc1nc2ccccc2s1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009960081 569575378 /nfs/dbraw/zinc/57/53/78/569575378.db2.gz WLPLFSLUUDEYCI-UHFFFAOYSA-N 0 0 441.534 3.505 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000009961993 569575627 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50 0 IHAARN COc1ccc2nc(NC(=O)Cn3cc(OCc4ccccc4)c(=O)cc3C)sc2c1 ZINC000072403461 569584715 /nfs/dbraw/zinc/58/47/15/569584715.db2.gz AUOMUUZVJBDXCI-UHFFFAOYSA-N 0 0 435.505 3.993 50 0 IHAARN Cc1cccc2sc(OC3CN(C(=O)c4ccc(S(=O)(=O)C(C)C)cc4)C3)nc21 ZINC000077101041 569585538 /nfs/dbraw/zinc/58/55/38/569585538.db2.gz FRQHYNAEKINSBE-UHFFFAOYSA-N 0 0 430.551 3.690 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000077101176 569585544 /nfs/dbraw/zinc/58/55/44/569585544.db2.gz VZUPAWDTQNZMNW-UHFFFAOYSA-N 0 0 433.409 3.885 50 0 IHAARN CNC(=O)c1cccc(-c2noc(C3CN(C(=O)NCc4cccc5ccccc54)C3)n2)c1 ZINC000077191208 569585941 /nfs/dbraw/zinc/58/59/41/569585941.db2.gz SDBAJXQJANUSJF-UHFFFAOYSA-N 0 0 441.491 3.558 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077197717 569586208 /nfs/dbraw/zinc/58/62/08/569586208.db2.gz OOWJANUKQAIDDZ-LBPRGKRZSA-N 0 0 442.825 3.501 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1 ZINC000077197443 569586225 /nfs/dbraw/zinc/58/62/25/569586225.db2.gz GHRMNMYJDOAQHM-UHFFFAOYSA-N 0 0 448.932 3.932 50 0 IHAARN O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000077198031 569586283 /nfs/dbraw/zinc/58/62/83/569586283.db2.gz XPKAFPGCDHGZAA-UHFFFAOYSA-N 0 0 431.418 3.752 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)COC ZINC000036121958 569587875 /nfs/dbraw/zinc/58/78/75/569587875.db2.gz QYJJAOOEEOQRFS-QUCCMNQESA-N 0 0 444.597 3.835 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)CC(C)C ZINC000036120297 569587895 /nfs/dbraw/zinc/58/78/95/569587895.db2.gz RLMFZPAZHRYXDR-IBGZPJMESA-N 0 0 448.560 3.523 50 0 IHAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(C)=O)CC2)C(=O)N1CCSCC1 ZINC000037604254 569588033 /nfs/dbraw/zinc/58/80/33/569588033.db2.gz VDMNHICZGWNRQF-DNQXCXABSA-N 0 0 438.593 3.913 50 0 IHAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2OC)n1 ZINC000037437089 569588057 /nfs/dbraw/zinc/58/80/57/569588057.db2.gz FMCFRYJWNVXDAA-SFHVURJKSA-N 0 0 438.553 3.763 50 0 IHAARN Cn1c2nc(SCc3ccccc3Cl)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000629649 193862779 /nfs/dbraw/zinc/86/27/79/193862779.db2.gz UUHOKBCMHLMXRK-UHFFFAOYSA-N 0 0 426.929 3.612 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(Cl)ccc2C)cc1 ZINC000000656182 193874723 /nfs/dbraw/zinc/87/47/23/193874723.db2.gz QKBUKCJZLUVVTC-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000009833986 193900722 /nfs/dbraw/zinc/90/07/22/193900722.db2.gz AOJKHWVQNXYHDN-PBHICJAKSA-N 0 0 436.327 3.560 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000051317395 193924386 /nfs/dbraw/zinc/92/43/86/193924386.db2.gz PRQPTLHGWNVQDS-UHFFFAOYSA-N 0 0 425.920 3.590 50 0 IHAARN O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000000810647 132231017 /nfs/dbraw/zinc/23/10/17/132231017.db2.gz CMJWEJCUEKBDFQ-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009512658 132232286 /nfs/dbraw/zinc/23/22/86/132232286.db2.gz OEWXRCHGGWAXBB-UHFFFAOYSA-N 0 0 444.564 3.565 50 0 IHAARN Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(Cl)cc1 ZINC000009518805 132232567 /nfs/dbraw/zinc/23/25/67/132232567.db2.gz XLNLYFPVPPWICN-UHFFFAOYSA-N 0 0 426.929 3.540 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)cc1C ZINC000009518950 132232691 /nfs/dbraw/zinc/23/26/91/132232691.db2.gz XZHCEMIPOUONGP-YRNVUSSQSA-N 0 0 441.535 3.769 50 0 IHAARN Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O ZINC000009519197 132232930 /nfs/dbraw/zinc/23/29/30/132232930.db2.gz LDJMZMDDFZKATO-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cn1c2nc3n(c2c(=O)n(CCCc2ccccc2)c1=O)CCCN3c1cccc(Cl)c1 ZINC000009519178 132232949 /nfs/dbraw/zinc/23/29/49/132232949.db2.gz YVGVFXMBVWJCTM-UHFFFAOYSA-N 0 0 449.942 3.725 50 0 IHAARN Cc1ccc(Cl)cc1N1CCCn2c3c(nc21)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519186 132232951 /nfs/dbraw/zinc/23/29/51/132232951.db2.gz NFQGVWLWUVRZBM-UHFFFAOYSA-N 0 0 449.942 3.643 50 0 IHAARN CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccccc3C)C(C(=O)OC)=C2)cc1 ZINC000001141171 132237231 /nfs/dbraw/zinc/23/72/31/132237231.db2.gz RWGRGWXDKCVAOE-UHFFFAOYSA-N 0 0 435.476 3.889 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1OCC ZINC000009716390 132241204 /nfs/dbraw/zinc/24/12/04/132241204.db2.gz JJNKJZIBPQAKAW-UHFFFAOYSA-N 0 0 447.539 3.980 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000002181457 132248524 /nfs/dbraw/zinc/24/85/24/132248524.db2.gz CVEFCAHCRMJDQG-NRFANRHFSA-N 0 0 427.932 3.583 50 0 IHAARN CCCCNC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc21 ZINC000002365184 132253118 /nfs/dbraw/zinc/25/31/18/132253118.db2.gz BRFOMRQHBSGDTF-UHFFFAOYSA-N 0 0 444.539 3.522 50 0 IHAARN O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(c2ccccc2)CC1 ZINC000002466601 132254681 /nfs/dbraw/zinc/25/46/81/132254681.db2.gz SXJBAPHYDBAHFW-IZZNHLLZSA-N 0 0 437.543 3.872 50 0 IHAARN O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002725309 132256764 /nfs/dbraw/zinc/25/67/64/132256764.db2.gz TZIWMWACNZPQMF-UHFFFAOYSA-N 0 0 427.810 3.859 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)CC1 ZINC000002924259 132258878 /nfs/dbraw/zinc/25/88/78/132258878.db2.gz LLULMUBFSPEURP-CQSZACIVSA-N 0 0 430.574 3.794 50 0 IHAARN CCCCNC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C ZINC000002931260 132259254 /nfs/dbraw/zinc/25/92/54/132259254.db2.gz VSYATCSOSXJPBI-UHFFFAOYSA-N 0 0 427.549 3.995 50 0 IHAARN CCOc1ccc(CCNC(=O)CN2c3cc(C)ccc3O[C@H](CC)C2=O)cc1OCC ZINC000002934043 132259403 /nfs/dbraw/zinc/25/94/03/132259403.db2.gz XAELDVRBWKDDQM-HXUWFJFHSA-N 0 0 440.540 3.655 50 0 IHAARN COc1ccccc1CNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000003057323 132261294 /nfs/dbraw/zinc/26/12/94/132261294.db2.gz DGTUHBKJSMRILU-OEAKJJBVSA-N 0 0 432.451 3.917 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003356839 132264435 /nfs/dbraw/zinc/26/44/35/132264435.db2.gz BVRJLEXCFWLAQG-UHFFFAOYSA-N 0 0 437.544 3.725 50 0 IHAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000003533244 132265993 /nfs/dbraw/zinc/26/59/93/132265993.db2.gz KUEKFZVLODGTNK-MRXNPFEDSA-N 0 0 444.487 3.958 50 0 IHAARN COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC ZINC000003649653 132267151 /nfs/dbraw/zinc/26/71/51/132267151.db2.gz RWDIIKMZPOKEBL-UHFFFAOYSA-N 0 0 437.496 3.658 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003665869 132267454 /nfs/dbraw/zinc/26/74/54/132267454.db2.gz WTYWSTVJEFVZIH-QHCPKHFHSA-N 0 0 437.883 3.862 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1 ZINC000004056351 132269086 /nfs/dbraw/zinc/26/90/86/132269086.db2.gz DEQICXGZEHFHGJ-QHCPKHFHSA-N 0 0 449.595 3.652 50 0 IHAARN O=C([C@@H]1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004057137 132269089 /nfs/dbraw/zinc/26/90/89/132269089.db2.gz QAVZCCLTOANXKU-FQEVSTJZSA-N 0 0 432.351 3.833 50 0 IHAARN CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2Cl)CC1 ZINC000006194200 132276723 /nfs/dbraw/zinc/27/67/23/132276723.db2.gz QHBMYPLSVLTJJK-UHFFFAOYSA-N 0 0 436.339 3.988 50 0 IHAARN Cc1c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000008588357 132282933 /nfs/dbraw/zinc/28/29/33/132282933.db2.gz VAZDPGZXBFNEDN-UHFFFAOYSA-N 0 0 442.972 3.637 50 0 IHAARN CCOc1ccccc1N(C)C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000008591424 132284021 /nfs/dbraw/zinc/28/40/21/132284021.db2.gz UWAVVQIQHYFZBM-SFHVURJKSA-N 0 0 448.571 3.831 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2CCSc3ccc(S(=O)(=O)N4CCCC4)cc32)c1 ZINC000008610969 132288443 /nfs/dbraw/zinc/28/84/43/132288443.db2.gz DKOICRTYTAXPSR-UHFFFAOYSA-N 0 0 445.610 3.639 50 0 IHAARN C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008720348 132291838 /nfs/dbraw/zinc/29/18/38/132291838.db2.gz CBWURARXJGMRJF-INIZCTEOSA-N 0 0 443.598 3.538 50 0 IHAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000008721764 132291994 /nfs/dbraw/zinc/29/19/94/132291994.db2.gz NINZBTNQTZCGBQ-OAQYLSRUSA-N 0 0 429.476 4.000 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000008723905 132292041 /nfs/dbraw/zinc/29/20/41/132292041.db2.gz PRPCHIXDAMYJHU-UHFFFAOYSA-N 0 0 433.581 3.935 50 0 IHAARN COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000008721763 132292063 /nfs/dbraw/zinc/29/20/63/132292063.db2.gz NINZBTNQTZCGBQ-NRFANRHFSA-N 0 0 429.476 4.000 50 0 IHAARN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008756988 132292797 /nfs/dbraw/zinc/29/27/97/132292797.db2.gz AMLNKDMVYRXQOJ-XMHGGMMESA-N 0 0 441.940 3.725 50 0 IHAARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000008904433 132297416 /nfs/dbraw/zinc/29/74/16/132297416.db2.gz NUDOJMHMIAVOSP-UHFFFAOYSA-N 0 0 429.904 3.626 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008912516 132297623 /nfs/dbraw/zinc/29/76/23/132297623.db2.gz MFZZCCTWQNEDPN-UHFFFAOYSA-N 0 0 436.943 3.739 50 0 IHAARN 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CC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccccc1Br ZINC000021653659 519718035 /nfs/dbraw/zinc/71/80/35/519718035.db2.gz DRSRAZGHHPYCTC-UHFFFAOYSA-N 0 0 444.333 3.759 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000021972611 519731039 /nfs/dbraw/zinc/73/10/39/519731039.db2.gz KVGUGGXCSKRCJH-UHFFFAOYSA-N 0 0 438.977 3.642 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000012896894 519731275 /nfs/dbraw/zinc/73/12/75/519731275.db2.gz MCSKFUIHAJPZAZ-UHFFFAOYSA-N 0 0 429.369 3.680 50 0 IHAARN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000021536344 519733657 /nfs/dbraw/zinc/73/36/57/519733657.db2.gz RCDYDVNFAWPSFT-UHFFFAOYSA-N 0 0 443.550 3.684 50 0 IHAARN CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1=O ZINC000012243553 519742514 /nfs/dbraw/zinc/74/25/14/519742514.db2.gz ZWPKXPYLJJEFJI-HSZRJFAPSA-N 0 0 446.551 3.729 50 0 IHAARN CC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccc(Br)c(C)c3)cc12 ZINC000035562423 519756741 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CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000035588165 519854716 /nfs/dbraw/zinc/85/47/16/519854716.db2.gz JXYRMNNTAOIALA-UHFFFAOYSA-N 0 0 443.613 3.965 50 0 IHAARN CCCNC(=O)C1CCN(c2c(NC(=O)CC)c(C)nn2-c2ccc(Cl)cc2)CC1 ZINC000033069431 519867221 /nfs/dbraw/zinc/86/72/21/519867221.db2.gz GZPXWLOSOLAYDJ-UHFFFAOYSA-N 0 0 431.968 3.925 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1Cl)[C@@H](C(=O)N(C)C)C2 ZINC000065167205 519878761 /nfs/dbraw/zinc/87/87/61/519878761.db2.gz WCEQYTYYSCDXGB-HXUWFJFHSA-N 0 0 427.932 3.734 50 0 IHAARN CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000021633609 519880435 /nfs/dbraw/zinc/88/04/35/519880435.db2.gz GZOPNOFUILPDIQ-UHFFFAOYSA-N 0 0 425.510 3.730 50 0 IHAARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035949077 519882270 /nfs/dbraw/zinc/88/22/70/519882270.db2.gz CDSAWOOVQOGGRP-OAQYLSRUSA-N 0 0 426.492 3.563 50 0 IHAARN CCCNC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(F)cc1 ZINC000035963319 519882625 /nfs/dbraw/zinc/88/26/25/519882625.db2.gz LWGRQKYYYUHBFL-NRFANRHFSA-N 0 0 426.492 3.563 50 0 IHAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 ZINC000012411150 519897726 /nfs/dbraw/zinc/89/77/26/519897726.db2.gz HTVPFVSNIFRBPB-UHFFFAOYSA-N 0 0 442.313 3.543 50 0 biogenic,in-vitro IHAARN CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000012601392 519898667 /nfs/dbraw/zinc/89/86/67/519898667.db2.gz GRHPMNHHAQXBLC-VYENPZKTSA-N 0 0 441.578 3.650 50 0 IHAARN CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1=O ZINC000014975148 519901852 /nfs/dbraw/zinc/90/18/52/519901852.db2.gz FIUJBOINKJXRMK-JOCHJYFZSA-N 0 0 443.547 3.666 50 0 IHAARN CCN(C(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O)c1cccc(C)c1 ZINC000020586370 519935578 /nfs/dbraw/zinc/93/55/78/519935578.db2.gz RZKXQVBZRNNCLR-UHFFFAOYSA-N 0 0 442.519 3.526 50 0 IHAARN CC(C)n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000012799495 520146502 /nfs/dbraw/zinc/14/65/02/520146502.db2.gz DBWHGVXOASFWPP-UHFFFAOYSA-N 0 0 430.921 3.891 50 0 IHAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2O1 ZINC000012324776 520275026 /nfs/dbraw/zinc/27/50/26/520275026.db2.gz NEHBVCXZBKBKEV-UHFFFAOYSA-N 0 0 444.915 3.517 50 0 IHAARN CCN(CC(=O)NC(C)C)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000012696432 520322837 /nfs/dbraw/zinc/32/28/37/520322837.db2.gz HZFRHIZWYYTWCC-UHFFFAOYSA-N 0 0 446.573 3.963 50 0 IHAARN CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C12CCCC2 ZINC000078935370 520350147 /nfs/dbraw/zinc/35/01/47/520350147.db2.gz JPDWODODRVNLSH-HZPDHXFCSA-N 0 0 439.482 3.547 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012776813 520353944 /nfs/dbraw/zinc/35/39/44/520353944.db2.gz IRCFYFKEFVJFGL-QGZVFWFLSA-N 0 0 433.961 3.802 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000021224713 520369069 /nfs/dbraw/zinc/36/90/69/520369069.db2.gz OWSNWWMRKHXSHZ-UHFFFAOYSA-N 0 0 428.432 3.557 50 0 IHAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(=O)C1CC1 ZINC000036055607 520370895 /nfs/dbraw/zinc/37/08/95/520370895.db2.gz HFEXXOGBSPOFMN-UHFFFAOYSA-N 0 0 448.523 3.754 50 0 IHAARN CCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1cccc(Cl)c1 ZINC000035077956 520440319 /nfs/dbraw/zinc/44/03/19/520440319.db2.gz LVFQWONLABFGPF-UHFFFAOYSA-N 0 0 434.968 3.988 50 0 IHAARN CCOC(=O)C1(CCOc2ccccc2)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000014964847 520457758 /nfs/dbraw/zinc/45/77/58/520457758.db2.gz JMFFBXPYLUEVSM-UHFFFAOYSA-N 0 0 431.554 3.631 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(F)c1 ZINC000012515933 520478470 /nfs/dbraw/zinc/47/84/70/520478470.db2.gz KARAFEUAXQWLCU-HXUWFJFHSA-N 0 0 428.485 3.870 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035991647 520509179 /nfs/dbraw/zinc/50/91/79/520509179.db2.gz SERJLSWBIOQEBR-JOCHJYFZSA-N 0 0 425.504 3.861 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 ZINC000012180649 520526470 /nfs/dbraw/zinc/52/64/70/520526470.db2.gz HOIGHTSSMWXCGG-UHFFFAOYSA-N 0 0 442.990 3.774 50 0 IHAARN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012934919 520537379 /nfs/dbraw/zinc/53/73/79/520537379.db2.gz WHWQVFDSPNBWKN-DEOSSOPVSA-N 0 0 436.552 3.962 50 0 IHAARN CC1(C)C[C@H](NC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CCO1 ZINC000012744093 520547435 /nfs/dbraw/zinc/54/74/35/520547435.db2.gz JIMIITVSYONMCD-HXUWFJFHSA-N 0 0 434.584 3.923 50 0 IHAARN CCCSCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021861949 520564391 /nfs/dbraw/zinc/56/43/91/520564391.db2.gz MJOQDKZUEMQDDL-QHCPKHFHSA-N 0 0 428.602 3.843 50 0 IHAARN CCCCN1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021866417 520564354 /nfs/dbraw/zinc/56/43/54/520564354.db2.gz OWCGJEBZMACUBD-XMMPIXPASA-N 0 0 442.535 3.812 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C1 ZINC000012596656 520576566 /nfs/dbraw/zinc/57/65/66/520576566.db2.gz QWYQAIVGIGABMD-FQEVSTJZSA-N 0 0 429.524 3.735 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CN2CCOc3ccccc3C2)C1 ZINC000012748521 520577053 /nfs/dbraw/zinc/57/70/53/520577053.db2.gz HQVZVSWAOPHUHH-JOCHJYFZSA-N 0 0 430.552 3.897 50 0 IHAARN CCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000012907728 520592067 /nfs/dbraw/zinc/59/20/67/520592067.db2.gz QRGAVZWBYJMJLZ-CYBMUJFWSA-N 0 0 445.317 3.928 50 0 IHAARN CCCCNC(=O)CN1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000012921261 520617858 /nfs/dbraw/zinc/61/78/58/520617858.db2.gz QYLCUKLWWHPGQA-UHFFFAOYSA-N 0 0 429.615 3.767 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N(C)C ZINC000012863487 520631854 /nfs/dbraw/zinc/63/18/54/520631854.db2.gz OPFQVDSMGMNEDI-YVLHZVERSA-N 0 0 428.872 3.550 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044402 520679867 /nfs/dbraw/zinc/67/98/67/520679867.db2.gz AFYXVWAHFICYSF-SJORKVTESA-N 0 0 446.569 3.546 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc(Cl)c1 ZINC000012527212 520750531 /nfs/dbraw/zinc/75/05/31/520750531.db2.gz IWQYUPUHYNISBZ-UHFFFAOYSA-N 0 0 434.920 3.992 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)ccc1O ZINC000021784169 520777674 /nfs/dbraw/zinc/77/76/74/520777674.db2.gz RXSKUYDELJWKSB-AWEZNQCLSA-N 0 0 441.484 3.780 50 0 IHAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895515 520785125 /nfs/dbraw/zinc/78/51/25/520785125.db2.gz IYDRUAMPJXFSJD-HXUWFJFHSA-N 0 0 431.489 3.804 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)ccc1C ZINC000012812917 520785472 /nfs/dbraw/zinc/78/54/72/520785472.db2.gz WEMOHHHCXROPJB-PKNBQFBNSA-N 0 0 432.542 3.695 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)NCCc1ccccc1)CC2 ZINC000021044194 520800235 /nfs/dbraw/zinc/80/02/35/520800235.db2.gz DKEKKJHPEZYCMO-NRFANRHFSA-N 0 0 440.540 3.899 50 0 IHAARN CCOc1ccc(-c2n[nH]cc2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000033310147 520803736 /nfs/dbraw/zinc/80/37/36/520803736.db2.gz QLSBAZCGMZTWGP-UHFFFAOYSA-N 0 0 425.432 3.973 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSCc2cccc(C)c2)c1 ZINC000012814905 520804938 /nfs/dbraw/zinc/80/49/38/520804938.db2.gz CETDMORKTDWPMI-UHFFFAOYSA-N 0 0 436.599 3.906 50 0 IHAARN CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)on2)cc1 ZINC000020557189 520808019 /nfs/dbraw/zinc/80/80/19/520808019.db2.gz ZRXVAQFGWLXLKV-UHFFFAOYSA-N 0 0 429.436 3.570 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)Cc3cccs3)c2)NC(=O)N1C ZINC000035707594 520814648 /nfs/dbraw/zinc/81/46/48/520814648.db2.gz MAJORHZYXNVFFG-HXUWFJFHSA-N 0 0 427.526 3.851 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)Cc3cccs3)c2)NC(=O)N1C ZINC000035707593 520816321 /nfs/dbraw/zinc/81/63/21/520816321.db2.gz MAJORHZYXNVFFG-FQEVSTJZSA-N 0 0 427.526 3.851 50 0 IHAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(OC)cc3)N2C1=O ZINC000021643789 520894350 /nfs/dbraw/zinc/89/43/50/520894350.db2.gz GOYCTBGLRSURCH-IBGZPJMESA-N 0 0 436.537 3.503 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1Cl ZINC000020932171 520901540 /nfs/dbraw/zinc/90/15/40/520901540.db2.gz XKADZLLXILAPEB-IBGZPJMESA-N 0 0 446.931 3.848 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1CC ZINC000020932050 520901657 /nfs/dbraw/zinc/90/16/57/520901657.db2.gz VQRRGAFRMCBJEG-NRFANRHFSA-N 0 0 440.540 3.757 50 0 IHAARN CCOc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(C)cc3)c2=O)cc1 ZINC000020947332 520986991 /nfs/dbraw/zinc/98/69/91/520986991.db2.gz QBLSQQKUNTUILS-UHFFFAOYSA-N 0 0 444.535 3.828 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cc2c(cc1Br)oc(C)c2C(=O)OCCOC ZINC000002320589 521031773 /nfs/dbraw/zinc/03/17/73/521031773.db2.gz HOVDCIDXYXMONQ-LLVKDONJSA-N 0 0 429.263 3.637 50 0 IHAARN CCCC[C@@H](CC)CNC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012863481 521032813 /nfs/dbraw/zinc/03/28/13/521032813.db2.gz HBPHGEOCKVHMIJ-QLODZENZSA-N 0 0 438.572 3.925 50 0 biogenic IHAARN CCOc1ccc(NC(=O)Cn2c3nc(-c4ccc(Cl)cc4)nn3c(=O)cc2C)cc1 ZINC000021802603 521074986 /nfs/dbraw/zinc/07/49/86/521074986.db2.gz QIZRECYHAMGZKO-UHFFFAOYSA-N 0 0 437.887 3.557 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3nc(-c4ccccc4Cl)nn3c(=O)cc2C)cc1 ZINC000021802704 521075922 /nfs/dbraw/zinc/07/59/22/521075922.db2.gz WJCSVWFLLMXKMY-UHFFFAOYSA-N 0 0 437.887 3.557 50 0 IHAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000035948635 521080466 /nfs/dbraw/zinc/08/04/66/521080466.db2.gz JYLGCEAWVWSXPJ-FQEVSTJZSA-N 0 0 443.931 3.903 50 0 IHAARN CCC(=O)N(c1nnc(SCC(=O)N2CC=C(c3ccccc3)CC2)s1)C1CC1 ZINC000012844711 521090547 /nfs/dbraw/zinc/09/05/47/521090547.db2.gz YSQBMZSFVGQIIU-UHFFFAOYSA-N 0 0 428.583 3.852 50 0 IHAARN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21 ZINC000017247968 521119584 /nfs/dbraw/zinc/11/95/84/521119584.db2.gz WVJAPLJXQWWMOR-UHFFFAOYSA-N 0 0 429.542 3.771 50 0 IHAARN CCC[C@H](NC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)c1cccs1 ZINC000021649795 521130636 /nfs/dbraw/zinc/13/06/36/521130636.db2.gz BCUQRMFFRGDDDD-IBGZPJMESA-N 0 0 447.560 3.931 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc(CC(C)C)n[nH]2)C1 ZINC000012446757 521179794 /nfs/dbraw/zinc/17/97/94/521179794.db2.gz UPDMGHITSCSPIL-XMMPIXPASA-N 0 0 427.545 3.645 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000011843227 521182524 /nfs/dbraw/zinc/18/25/24/521182524.db2.gz AGEOEANSJWTEIN-XMMPIXPASA-N 0 0 427.472 3.966 50 0 IHAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc1 ZINC000021153650 521202737 /nfs/dbraw/zinc/20/27/37/521202737.db2.gz LIFLOBWBCQTCCN-DEOSSOPVSA-N 0 0 439.581 3.502 50 0 IHAARN CCC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035946127 521206009 /nfs/dbraw/zinc/20/60/09/521206009.db2.gz SGSXXVSTELSEDW-UHFFFAOYSA-N 0 0 433.549 3.841 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3OC)cc2)cc1 ZINC000012548523 521211622 /nfs/dbraw/zinc/21/16/22/521211622.db2.gz ZXSNTSSKSPNPKK-UHFFFAOYSA-N 0 0 440.521 3.825 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)c(C)c1 ZINC000035588263 521217554 /nfs/dbraw/zinc/21/75/54/521217554.db2.gz YEEYNEUMDCXUQV-UHFFFAOYSA-N 0 0 431.558 3.543 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(C)c1)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065167025 521219411 /nfs/dbraw/zinc/21/94/11/521219411.db2.gz RMKCSAUXOWMFTI-HSZRJFAPSA-N 0 0 433.552 3.923 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012814479 521248462 /nfs/dbraw/zinc/24/84/62/521248462.db2.gz WDNSVRCTAXQHEX-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(OC)cc4)n3c2=O)cc1 ZINC000035528200 521281264 /nfs/dbraw/zinc/28/12/64/521281264.db2.gz HVRXMNPFILJLDH-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000022853415 521301195 /nfs/dbraw/zinc/30/11/95/521301195.db2.gz WRSLWJOBTJUQPZ-HKUYNNGSSA-N 0 0 442.585 3.986 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)sc2n1 ZINC000021165849 521346807 /nfs/dbraw/zinc/34/68/07/521346807.db2.gz AHNQARFDTZQXAS-UHFFFAOYSA-N 0 0 425.558 3.575 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000012431925 521355803 /nfs/dbraw/zinc/35/58/03/521355803.db2.gz UBBFEXWXRXVVAF-IBGZPJMESA-N 0 0 429.510 3.603 50 0 IHAARN CCCCn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)C(C)(C)C)CC1)CCCC3 ZINC000012322495 521357300 /nfs/dbraw/zinc/35/73/00/521357300.db2.gz XHDOTERHMDCXRM-UHFFFAOYSA-N 0 0 430.618 3.832 50 0 IHAARN CCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)n2)cc1 ZINC000012795650 521387868 /nfs/dbraw/zinc/38/78/68/521387868.db2.gz PVJSNTZCKTWZSN-UHFFFAOYSA-N 0 0 435.557 3.971 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C2CC2)c(C)n1C ZINC000036006546 521388285 /nfs/dbraw/zinc/38/82/85/521388285.db2.gz QXSUVALSKLMZBJ-INIZCTEOSA-N 0 0 428.504 3.968 50 0 IHAARN CCOC(=O)c1cc(C)n(CC(=O)N(C)Cc2cc(Br)ccc2OC)c1C ZINC000020923139 521430409 /nfs/dbraw/zinc/43/04/09/521430409.db2.gz KYRYLIZNZIXBGD-UHFFFAOYSA-N 0 0 437.334 3.711 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)NC(C)(C)C ZINC000036031365 521432935 /nfs/dbraw/zinc/43/29/35/521432935.db2.gz HVDAOTLTICWFTH-UHFFFAOYSA-N 0 0 434.606 3.843 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(OC)c3)c2N)c(C)o1 ZINC000033291761 521440719 /nfs/dbraw/zinc/44/07/19/521440719.db2.gz WMMGWVFOHRCQNN-UHFFFAOYSA-N 0 0 448.483 3.532 50 0 IHAARN CCOc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033011989 521492282 /nfs/dbraw/zinc/49/22/82/521492282.db2.gz CIUKEHYTULDQTA-UHFFFAOYSA-N 0 0 428.539 3.598 50 0 IHAARN CCCN(C)c1cc(COC)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000036061644 521515106 /nfs/dbraw/zinc/51/51/06/521515106.db2.gz QDOWXBFVRSGBGS-HXUWFJFHSA-N 0 0 444.601 3.670 50 0 IHAARN CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O ZINC000012099766 521522857 /nfs/dbraw/zinc/52/28/57/521522857.db2.gz OXLBUSSSXMBALD-CUNXSJBXSA-N 0 0 448.563 3.610 50 0 IHAARN CCOc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000015391225 521533652 /nfs/dbraw/zinc/53/36/52/521533652.db2.gz OCLJHBDOGLCABN-KRWDZBQOSA-N 0 0 432.542 3.666 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)s2)c1 ZINC000035405649 521543447 /nfs/dbraw/zinc/54/34/47/521543447.db2.gz JUIKCAZYIWOMTO-UHFFFAOYSA-N 0 0 436.555 3.742 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000017915240 521550706 /nfs/dbraw/zinc/55/07/06/521550706.db2.gz SJKVLFNVXPDJLV-UHFFFAOYSA-N 0 0 433.430 3.722 50 0 IHAARN CCOC(=O)c1cnc(S[C@H](CC)C(=O)Nc2ccc(Br)cc2)nc1N ZINC000021871589 521575137 /nfs/dbraw/zinc/57/51/37/521575137.db2.gz ZWTBPEFFHQGULM-CYBMUJFWSA-N 0 0 439.335 3.507 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)c1N ZINC000021115347 521579063 /nfs/dbraw/zinc/57/90/63/521579063.db2.gz SPWPCSTXOGNNCG-UHFFFAOYSA-N 0 0 443.301 3.954 50 0 IHAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000022668870 521598386 /nfs/dbraw/zinc/59/83/86/521598386.db2.gz RQUYDPFVPGANGH-LBPRGKRZSA-N 0 0 439.343 3.808 50 0 IHAARN CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)C(C)C)nc1C(F)(F)F ZINC000017096832 521609549 /nfs/dbraw/zinc/60/95/49/521609549.db2.gz HMUVDJXEELPRNU-BQYQJAHWSA-N 0 0 430.452 3.835 50 0 IHAARN CCCn1c(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)nc2ccccc21 ZINC000021597510 521632774 /nfs/dbraw/zinc/63/27/74/521632774.db2.gz YNYIZKZMSMQDGC-GOSISDBHSA-N 0 0 440.569 3.945 50 0 IHAARN CCC1(C)COC2(OC1)c1ccccc1N(CN1CCN(c3ccc(F)cc3)CC1)C2=O ZINC000015226424 521682976 /nfs/dbraw/zinc/68/29/76/521682976.db2.gz VFHPZWHMNDQXSV-UHFFFAOYSA-N 0 0 439.531 3.568 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2)cc1 ZINC000035769886 521686878 /nfs/dbraw/zinc/68/68/78/521686878.db2.gz BGQJWNAVAJLMSH-UHFFFAOYSA-N 0 0 429.494 3.616 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2nc(C)sc2C)n1Cc1ccccc1 ZINC000012302723 521694538 /nfs/dbraw/zinc/69/45/38/521694538.db2.gz XZPXRSFFURGYRN-OAHLLOKOSA-N 0 0 432.615 3.991 50 0 IHAARN CCOCCC[N@H+](C)C1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035450879 521704071 /nfs/dbraw/zinc/70/40/71/521704071.db2.gz CJNIKTZDDQTTQP-UHFFFAOYSA-N 0 0 439.556 3.964 50 0 IHAARN CCN1c2cc(C(=O)N(C)C3CCCCC3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000021368020 521730009 /nfs/dbraw/zinc/73/00/09/521730009.db2.gz GHASJYTXXPCOLB-UHFFFAOYSA-N 0 0 426.538 3.904 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(Cl)c1)C[C@@H]1CSCN12 ZINC000021883318 521731221 /nfs/dbraw/zinc/73/12/21/521731221.db2.gz MZJFYNGCIICUDX-CDMIOBSGSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CCNC(=O)NC(=O)[C@H](C)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000033474650 521742381 /nfs/dbraw/zinc/74/23/81/521742381.db2.gz OEWKPVAAJHAVMZ-RAOBZKRQSA-N 0 0 440.500 3.537 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C ZINC000012263920 521750742 /nfs/dbraw/zinc/75/07/42/521750742.db2.gz MBZJSGIRLVXPFD-CQSZACIVSA-N 0 0 442.443 3.959 50 0 IHAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NC4CC4)n3c2=O)cc1C ZINC000035911812 521805206 /nfs/dbraw/zinc/80/52/06/521805206.db2.gz OWSSNIWSFFWVMU-UHFFFAOYSA-N 0 0 447.564 3.609 50 0 IHAARN CNC(=O)c1ccc(NCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000012812686 521848986 /nfs/dbraw/zinc/84/89/86/521848986.db2.gz CVUDYHVEQHKSIN-UHFFFAOYSA-N 0 0 437.521 3.524 50 0 IHAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(F)ccc21 ZINC000035535128 521880574 /nfs/dbraw/zinc/88/05/74/521880574.db2.gz HDNSGNDSBKZGOS-UHFFFAOYSA-N 0 0 429.451 3.968 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)cc(OC)c1OC ZINC000012248716 521908398 /nfs/dbraw/zinc/90/83/98/521908398.db2.gz ULVMQJQVEGZSQV-UHFFFAOYSA-N 0 0 437.424 3.771 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1OC ZINC000012799314 522024815 /nfs/dbraw/zinc/02/48/15/522024815.db2.gz OMZSYHCXUBRWFX-CYBMUJFWSA-N 0 0 444.372 3.982 50 0 IHAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)CC)CC2)n1)CC[C@H](C)C3 ZINC000035867886 522055519 /nfs/dbraw/zinc/05/55/19/522055519.db2.gz PXUYICYPGZPOJC-GJZGRUSLSA-N 0 0 436.647 3.801 50 0 IHAARN COCCn1c(CN(C)Cc2sccc2C)cnc1S(=O)(=O)CC1CCCCC1 ZINC000011936246 522068032 /nfs/dbraw/zinc/06/80/32/522068032.db2.gz AIUPNYGSVYQBMX-UHFFFAOYSA-N 0 0 439.647 3.885 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccccc1 ZINC000012558490 522073124 /nfs/dbraw/zinc/07/31/24/522073124.db2.gz BVZJUBGWMNCGPW-UHFFFAOYSA-N 0 0 437.569 3.923 50 0 IHAARN COc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl ZINC000012568903 522081630 /nfs/dbraw/zinc/08/16/30/522081630.db2.gz ZQXJXPWQPUWSNI-HXUWFJFHSA-N 0 0 444.959 3.864 50 0 IHAARN COc1cc(C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000020486070 522120442 /nfs/dbraw/zinc/12/04/42/522120442.db2.gz SIIPLNWFDAMBPC-JOCHJYFZSA-N 0 0 447.535 3.637 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000016212410 522269067 /nfs/dbraw/zinc/26/90/67/522269067.db2.gz AJQMGRFGEMRVIL-UHFFFAOYSA-N 0 0 448.516 3.574 50 0 IHAARN COc1cc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C2CC2)ccc1OC(F)F ZINC000021600324 522340916 /nfs/dbraw/zinc/34/09/16/522340916.db2.gz NINOPWCYQMTFED-HNNXBMFYSA-N 0 0 448.441 3.980 50 0 IHAARN COc1cc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc(OC)c1O ZINC000022077906 522360681 /nfs/dbraw/zinc/36/06/81/522360681.db2.gz VPDRKCLGIJXKKB-QHCPKHFHSA-N 0 0 445.523 3.915 50 0 IHAARN CC[C@@H](C)c1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 ZINC000012849977 522430664 /nfs/dbraw/zinc/43/06/64/522430664.db2.gz SNUDUYDCVXPRNM-UZUQRXQVSA-N 0 0 435.576 3.763 50 0 IHAARN COc1cc(CNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000021018975 522431401 /nfs/dbraw/zinc/43/14/01/522431401.db2.gz FCKREOVDQHZLNQ-OAQYLSRUSA-N 0 0 446.503 3.600 50 0 IHAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O ZINC000012769364 522435501 /nfs/dbraw/zinc/43/55/01/522435501.db2.gz SITODKUTWBCCCD-MRXNPFEDSA-N 0 0 434.558 3.954 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012809890 522511860 /nfs/dbraw/zinc/51/18/60/522511860.db2.gz LDCNHEBGDOBELS-UHFFFAOYSA-N 0 0 429.948 3.624 50 0 IHAARN CCc1nc2sc([C@@H](c3ccc(Cl)cc3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853600 522535393 /nfs/dbraw/zinc/53/53/93/522535393.db2.gz QNWBSBFGWPSXLA-MRXNPFEDSA-N 0 0 434.949 3.687 50 0 IHAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1 ZINC000016406186 522706579 /nfs/dbraw/zinc/70/65/79/522706579.db2.gz VAEFDCZWFQCNLK-CYBMUJFWSA-N 0 0 428.407 3.868 50 0 IHAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccc5F)CC4)c3c2)o1 ZINC000035462279 522717781 /nfs/dbraw/zinc/71/77/81/522717781.db2.gz SIJHOJVZOZHLOD-UHFFFAOYSA-N 0 0 433.487 3.742 50 0 IHAARN CCc1nnc(-c2ccc3ccn(CC(=O)Nc4cc(OC)c(OC)c(OC)c4)c3c2)o1 ZINC000035462216 522719462 /nfs/dbraw/zinc/71/94/62/522719462.db2.gz PGJBNHVLLPHGRB-UHFFFAOYSA-N 0 0 436.468 3.918 50 0 IHAARN COc1cc(NC(=O)c2ccc(C)c(I)c2)cc(OC)c1OC ZINC000020740798 522722443 /nfs/dbraw/zinc/72/24/43/522722443.db2.gz JVLLIFXBFCPOSN-UHFFFAOYSA-N 0 0 427.238 3.878 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)CO3)cc(OC)c1OC ZINC000035377203 522726219 /nfs/dbraw/zinc/72/62/19/522726219.db2.gz DJOZMIXUIVSDET-UHFFFAOYSA-N 0 0 448.475 3.890 50 0 IHAARN COc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)ccc1N1CCCC1=O ZINC000024575684 522730882 /nfs/dbraw/zinc/73/08/82/522730882.db2.gz CPRMJQUBFAXLAZ-UHFFFAOYSA-N 0 0 445.401 3.674 50 0 IHAARN COCC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849088 522746479 /nfs/dbraw/zinc/74/64/79/522746479.db2.gz WIOZPEBSSQHWIZ-UHFFFAOYSA-N 0 0 428.602 3.913 50 0 IHAARN COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 ZINC000021784786 522784742 /nfs/dbraw/zinc/78/47/42/522784742.db2.gz JCKAPABMCXOMSS-CQSZACIVSA-N 0 0 443.912 3.904 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012914846 522802834 /nfs/dbraw/zinc/80/28/34/522802834.db2.gz UZEBAXHHNUFCKH-OAHLLOKOSA-N 0 0 431.920 3.646 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012593293 522823653 /nfs/dbraw/zinc/82/36/53/522823653.db2.gz GXTNXIHINNLMNI-UHFFFAOYSA-N 0 0 444.491 3.890 50 0 IHAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000015867938 522832066 /nfs/dbraw/zinc/83/20/66/522832066.db2.gz QOQJWTNTZCXLGH-LBPRGKRZSA-N 0 0 436.493 3.982 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)Cc2nc(-c3ccccc3)oc2C)c2nccn2C)c1 ZINC000012578286 522873501 /nfs/dbraw/zinc/87/35/01/522873501.db2.gz ZYLCSXQKTKTUHZ-HSZRJFAPSA-N 0 0 446.507 3.849 50 0 IHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000041085696 522888155 /nfs/dbraw/zinc/88/81/55/522888155.db2.gz JNCPPRZTQJXLTK-NRFANRHFSA-N 0 0 433.464 3.971 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn23)ccc1OCc1ccccc1 ZINC000012419481 522924854 /nfs/dbraw/zinc/92/48/54/522924854.db2.gz KQQIAIDCEXGELR-INIZCTEOSA-N 0 0 433.489 3.818 50 0 IHAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OC[C@@H]4CCCO4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000012444627 522963526 /nfs/dbraw/zinc/96/35/26/522963526.db2.gz OGMHQPXXLYTHDT-HOCLYGCPSA-N 0 0 443.496 3.597 50 0 IHAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4ccc(C(C)C)cc4)c3=O)c2cc1OC ZINC000035424277 522988531 /nfs/dbraw/zinc/98/85/31/522988531.db2.gz FPNMKANSTJTTPE-UHFFFAOYSA-N 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CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697090 523139384 /nfs/dbraw/zinc/13/93/84/523139384.db2.gz GFIVSJWEEUVJSL-HSZRJFAPSA-N 0 0 438.959 3.842 50 0 IHAARN CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccccc3)CC2)c1=O ZINC000022696927 523139819 /nfs/dbraw/zinc/13/98/19/523139819.db2.gz FNHWNWUAVPNEIR-RUZDIDTESA-N 0 0 433.552 3.802 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000024651964 523148362 /nfs/dbraw/zinc/14/83/62/523148362.db2.gz XNBHPSRWCMEKCZ-VXKWHMMOSA-N 0 0 430.504 3.846 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000065489310 523188366 /nfs/dbraw/zinc/18/83/66/523188366.db2.gz CNVHTFFRIXRBTE-GOSISDBHSA-N 0 0 437.521 3.531 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cs2)cc1OC ZINC000065489315 523188416 /nfs/dbraw/zinc/18/84/16/523188416.db2.gz CNVHTFFRIXRBTE-SFHVURJKSA-N 0 0 437.521 3.531 50 0 IHAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000020893226 523191366 /nfs/dbraw/zinc/19/13/66/523191366.db2.gz OVZJFMMBLSHRPX-UHFFFAOYSA-N 0 0 442.947 3.868 50 0 IHAARN CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 ZINC000012527370 523208839 /nfs/dbraw/zinc/20/88/39/523208839.db2.gz VKJDTCDKHRBOJG-KRWDZBQOSA-N 0 0 441.597 3.810 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3Cl)c(C)o2)cc1 ZINC000020241909 523211071 /nfs/dbraw/zinc/21/10/71/523211071.db2.gz LUZSUQQSYPFWFK-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(OC)cc4)c3C)c(C)o2)cc1 ZINC000012415661 523211808 /nfs/dbraw/zinc/21/18/08/523211808.db2.gz KJXHIPRDHNMVJQ-UHFFFAOYSA-N 0 0 434.452 3.913 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCC(C)CC3)c(C)o2)cc1OC ZINC000015944348 523215171 /nfs/dbraw/zinc/21/51/71/523215171.db2.gz FEFZZUMXQVUUJV-VNVUONTNSA-N 0 0 434.558 3.611 50 0 IHAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012752179 523218947 /nfs/dbraw/zinc/21/89/47/523218947.db2.gz DEHSADRYCRPTTC-UHFFFAOYSA-N 0 0 434.323 3.509 50 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/nfs/dbraw/zinc/29/65/90/523296590.db2.gz QEYIGZHCCNKZLU-NEPJUHHUSA-N 0 0 442.438 3.571 50 0 IHAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)cc1OC ZINC000020597808 523353572 /nfs/dbraw/zinc/35/35/72/523353572.db2.gz MJRVINOKLQAGQX-UHFFFAOYSA-N 0 0 440.460 3.503 50 0 IHAARN COCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C)c(C)c1 ZINC000021855396 523355456 /nfs/dbraw/zinc/35/54/56/523355456.db2.gz YTBLWICLBUZFDA-AREMUKBSSA-N 0 0 446.551 3.739 50 0 IHAARN COCCCNC(=O)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998940 523365214 /nfs/dbraw/zinc/36/52/14/523365214.db2.gz NOTWOHZNIAYPEM-UHFFFAOYSA-N 0 0 429.929 3.803 50 0 IHAARN CN(Cc1cccs1)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000022827281 523442054 /nfs/dbraw/zinc/44/20/54/523442054.db2.gz GWRHLNONWINDTP-UHFFFAOYSA-N 0 0 432.505 3.811 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012741756 523571496 /nfs/dbraw/zinc/57/14/96/523571496.db2.gz SHWYXZAEFWTUQJ-UHFFFAOYSA-N 0 0 449.334 3.853 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c(OC)c1 ZINC000012819681 523591460 /nfs/dbraw/zinc/59/14/60/523591460.db2.gz ZBMIJDODGDYMLW-UHFFFAOYSA-N 0 0 428.514 3.512 50 0 IHAARN COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CC1 ZINC000009799299 523605403 /nfs/dbraw/zinc/60/54/03/523605403.db2.gz POALTMYRPOMVJY-ZDUSSCGKSA-N 0 0 445.566 3.579 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1=O ZINC000012553634 523630138 /nfs/dbraw/zinc/63/01/38/523630138.db2.gz PJTUQKNQZZWMDK-RUZDIDTESA-N 0 0 439.475 3.528 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(C)=O ZINC000035962046 523650749 /nfs/dbraw/zinc/65/07/49/523650749.db2.gz UJYJCSNJMOHBSF-JOCHJYFZSA-N 0 0 443.931 3.521 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1)C(=O)C(C)C ZINC000035947737 523651557 /nfs/dbraw/zinc/65/15/57/523651557.db2.gz GXXVCSBLEATFBR-QHCPKHFHSA-N 0 0 437.540 3.504 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035962569 523652805 /nfs/dbraw/zinc/65/28/05/523652805.db2.gz UTYCVSHSRZRNFS-DEOSSOPVSA-N 0 0 449.551 3.648 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)NC(C)C ZINC000035947188 523652884 /nfs/dbraw/zinc/65/28/84/523652884.db2.gz FONMRWHITCYQRU-HXUWFJFHSA-N 0 0 442.585 3.801 50 0 IHAARN COCCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)C1CC1 ZINC000036051216 523656394 /nfs/dbraw/zinc/65/63/94/523656394.db2.gz YTJJXMFJPKPJMZ-UHFFFAOYSA-N 0 0 446.551 3.980 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000012882927 523712542 /nfs/dbraw/zinc/71/25/42/523712542.db2.gz RLWVDYJVJNTCAE-HNNXBMFYSA-N 0 0 436.961 3.842 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)COC ZINC000035972736 523737243 /nfs/dbraw/zinc/73/72/43/523737243.db2.gz JTQDCNDUCKTJTN-UHFFFAOYSA-N 0 0 439.512 3.603 50 0 IHAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccc(C)cc1 ZINC000036012004 523739630 /nfs/dbraw/zinc/73/96/30/523739630.db2.gz FBULEWVOPULFPS-UHFFFAOYSA-N 0 0 440.496 3.965 50 0 IHAARN CCn1nnc(NCc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)n1 ZINC000015356937 523762013 /nfs/dbraw/zinc/76/20/13/523762013.db2.gz XJLBQAQBLRWLMH-UHFFFAOYSA-N 0 0 432.322 3.964 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026604 523878492 /nfs/dbraw/zinc/87/84/92/523878492.db2.gz MXQBCKUJBOYVBA-CVDCTZTESA-N 0 0 437.559 3.847 50 0 IHAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000012868627 523879842 /nfs/dbraw/zinc/87/98/42/523879842.db2.gz FRXHDQLFTLSUIC-SANMLTNESA-N 0 0 429.472 3.985 50 0 IHAARN COc1ccc(CC(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(C)cc2)cc1OC ZINC000035476712 523890010 /nfs/dbraw/zinc/89/00/10/523890010.db2.gz WAJNJVLOROLKMR-UHFFFAOYSA-N 0 0 445.523 3.843 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl ZINC000020714510 523893354 /nfs/dbraw/zinc/89/33/54/523893354.db2.gz AAVUWMPENOWAJX-YJBOKZPZSA-N 0 0 439.343 3.961 50 0 IHAARN COCCNC(=O)NC(=O)CSc1nc2ccccc2c(Nc2ccccc2Cl)n1 ZINC000016452667 523903815 /nfs/dbraw/zinc/90/38/15/523903815.db2.gz YRESNXGLCYZBNE-UHFFFAOYSA-N 0 0 445.932 3.591 50 0 IHAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000035405765 523921838 /nfs/dbraw/zinc/92/18/38/523921838.db2.gz BCSFHZOURAEWIJ-NRFANRHFSA-N 0 0 431.945 3.534 50 0 IHAARN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000012331311 523951848 /nfs/dbraw/zinc/95/18/48/523951848.db2.gz XMWSUKKELDSAEW-JOCHJYFZSA-N 0 0 449.576 3.617 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4)C[C@H]23)cc1 ZINC000035870642 523966472 /nfs/dbraw/zinc/96/64/72/523966472.db2.gz DTLPHAZFBLJDJI-XNMGPUDCSA-N 0 0 441.575 3.922 50 0 IHAARN CC[C@H](C)NC(=O)CCc1c(C)n(Cc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000021807379 523969902 /nfs/dbraw/zinc/96/99/02/523969902.db2.gz JLWUYIYUFPAWIA-SFHVURJKSA-N 0 0 443.551 3.762 50 0 IHAARN COc1ccc(CCNC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1OC ZINC000020768015 523972233 /nfs/dbraw/zinc/97/22/33/523972233.db2.gz JEKWUYJJCLZPER-UHFFFAOYSA-N 0 0 449.532 3.721 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)cc1 ZINC000035535129 523977024 /nfs/dbraw/zinc/97/70/24/523977024.db2.gz IFTXMQSGWWQVPV-UHFFFAOYSA-N 0 0 429.451 3.968 50 0 IHAARN COC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 ZINC000035350884 524017676 /nfs/dbraw/zinc/01/76/76/524017676.db2.gz LKUVEEAONGORLW-DQLDELGASA-N 0 0 429.266 3.822 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c1C ZINC000036003489 524023168 /nfs/dbraw/zinc/02/31/68/524023168.db2.gz JVJPQJXICNDATN-MRXNPFEDSA-N 0 0 438.480 3.934 50 0 IHAARN CCc1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C(C)C)cc1 ZINC000023767360 524032885 /nfs/dbraw/zinc/03/28/85/524032885.db2.gz CRXAXCPJUQFPJL-SFHVURJKSA-N 0 0 439.375 3.786 50 0 IHAARN CCc1ccc([C@@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2cccc(F)c2)cc1 ZINC000012765476 524033169 /nfs/dbraw/zinc/03/31/69/524033169.db2.gz DVOXVSAXXAFMPB-OAQYLSRUSA-N 0 0 427.501 3.947 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)NC(C)(C)C)cc1 ZINC000036048501 524038364 /nfs/dbraw/zinc/03/83/64/524038364.db2.gz CGSCIHOMHDKXHC-NRFANRHFSA-N 0 0 441.572 3.910 50 0 IHAARN COc1ccc(CNC(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC ZINC000035597714 524057179 /nfs/dbraw/zinc/05/71/79/524057179.db2.gz PVLFZXICVCKJSI-UHFFFAOYSA-N 0 0 440.475 3.982 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc(Br)o3)C2)cc1 ZINC000065058132 524064829 /nfs/dbraw/zinc/06/48/29/524064829.db2.gz GWMWPSAKEZZIJP-HXUWFJFHSA-N 0 0 435.318 3.609 50 0 IHAARN CCc1cccc(CC)c1-n1c(=O)cc(O)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000012636746 524067190 /nfs/dbraw/zinc/06/71/90/524067190.db2.gz ONHUAXAAEWZYLC-UHFFFAOYSA-N 0 0 427.501 3.933 50 0 IHAARN CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1)c1ccccc1 ZINC000023939889 524078126 /nfs/dbraw/zinc/07/81/26/524078126.db2.gz BYQROUKGMUSWPT-QFIPXVFZSA-N 0 0 446.459 3.633 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCCN1CCOCC1)C3=O ZINC000022610856 524099322 /nfs/dbraw/zinc/09/93/22/524099322.db2.gz PLRCKJGXWLDDCF-JOCHJYFZSA-N 0 0 436.483 3.508 50 0 IHAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)c2)c1 ZINC000012442719 524110735 /nfs/dbraw/zinc/11/07/35/524110735.db2.gz FESLBSVFOUWLOK-NRFANRHFSA-N 0 0 446.551 3.885 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054184 524122199 /nfs/dbraw/zinc/12/21/99/524122199.db2.gz WXDBQOWCPOURDX-RBUKOAKNSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)c1 ZINC000016475089 524123068 /nfs/dbraw/zinc/12/30/68/524123068.db2.gz BMINLVMURFZXRO-JOCHJYFZSA-N 0 0 431.536 3.586 50 0 IHAARN Cc1cccc(-c2nnc([C@H](C)OC(=O)CCNC(=O)CCC(=O)c3cccs3)o2)c1 ZINC000021732066 524127982 /nfs/dbraw/zinc/12/79/82/524127982.db2.gz VCGWPVUJSIQFFF-HNNXBMFYSA-N 0 0 441.509 3.880 50 0 IHAARN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000012627293 524144932 /nfs/dbraw/zinc/14/49/32/524144932.db2.gz XGIIHDVXWVVIRL-MRXNPFEDSA-N 0 0 444.582 3.550 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O ZINC000012554050 524153477 /nfs/dbraw/zinc/15/34/77/524153477.db2.gz NYPPYNZVHBINSM-CRICUBBOSA-N 0 0 449.555 3.664 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1 ZINC000035597016 524166150 /nfs/dbraw/zinc/16/61/50/524166150.db2.gz DHTFRLXYDGHCHF-UHFFFAOYSA-N 0 0 429.567 3.706 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054206 524179316 /nfs/dbraw/zinc/17/93/16/524179316.db2.gz YYBXYMFOHFBSGF-WOJBJXKFSA-N 0 0 444.959 3.985 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC2CC2)c1OC ZINC000036054543 524179585 /nfs/dbraw/zinc/17/95/85/524179585.db2.gz QUNXCIBUKXRIMR-WOJBJXKFSA-N 0 0 442.943 3.739 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054183 524181346 /nfs/dbraw/zinc/18/13/46/524181346.db2.gz WXDBQOWCPOURDX-MOPGFXCFSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C(=O)N2 ZINC000020556644 524234466 /nfs/dbraw/zinc/23/44/66/524234466.db2.gz OTESAOKBOCHTOI-UHFFFAOYSA-N 0 0 440.931 3.909 50 0 IHAARN COc1ccc(Cl)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012813024 524243797 /nfs/dbraw/zinc/24/37/97/524243797.db2.gz LFRGKQIRYXMVQG-UHFFFAOYSA-N 0 0 425.798 3.999 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000009666314 524267510 /nfs/dbraw/zinc/26/75/10/524267510.db2.gz CSMFOYNXHWRMND-UHFFFAOYSA-N 0 0 437.525 3.765 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 ZINC000012790375 524272819 /nfs/dbraw/zinc/27/28/19/524272819.db2.gz BVQZVJRIGONVFM-MDZDMXLPSA-N 0 0 429.923 3.892 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000024596764 524273443 /nfs/dbraw/zinc/27/34/43/524273443.db2.gz VJHTZQIUSVQMPW-UHFFFAOYSA-N 0 0 440.521 3.581 50 0 IHAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N(CC3CCC3)C[C@@H]3CCCO3)CCC(=O)N2)c1 ZINC000012099397 524285059 /nfs/dbraw/zinc/28/50/59/524285059.db2.gz JHFHUHQXHYOUTM-OFVILXPXSA-N 0 0 446.563 3.614 50 0 IHAARN COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000035597011 524286121 /nfs/dbraw/zinc/28/61/21/524286121.db2.gz CDNMXOZAMZVJAI-UHFFFAOYSA-N 0 0 433.530 3.921 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c(C)c1 ZINC000015882758 524290679 /nfs/dbraw/zinc/29/06/79/524290679.db2.gz YLLFFPJTMBMVIJ-UHFFFAOYSA-N 0 0 434.565 3.831 50 0 IHAARN COc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)n1 ZINC000012623671 524292991 /nfs/dbraw/zinc/29/29/91/524292991.db2.gz TYGSDRSCIPCQRC-DEOSSOPVSA-N 0 0 428.448 3.866 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c(C)c1 ZINC000012772799 524316511 /nfs/dbraw/zinc/31/65/11/524316511.db2.gz KYUNBJJRIATGLY-UHFFFAOYSA-N 0 0 426.582 3.992 50 0 IHAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1cc(F)cc(F)c1 ZINC000012632449 524348917 /nfs/dbraw/zinc/34/89/17/524348917.db2.gz JLLRYEOOPFPZDE-UHFFFAOYSA-N 0 0 431.464 3.916 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2C ZINC000033025888 524358489 /nfs/dbraw/zinc/35/84/89/524358489.db2.gz NIMQLZXSDJVGGO-UHFFFAOYSA-N 0 0 446.482 3.946 50 0 IHAARN COc1ccc(N(CCC(=O)N2CCCCC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012922253 524365129 /nfs/dbraw/zinc/36/51/29/524365129.db2.gz MXCCFCZRTUPHKL-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000035400136 524368248 /nfs/dbraw/zinc/36/82/48/524368248.db2.gz WLRYNGXHTKDEHB-UHFFFAOYSA-N 0 0 437.565 3.818 50 0 IHAARN C[C@@H](CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995558 524368648 /nfs/dbraw/zinc/36/86/48/524368648.db2.gz XZVJRTCXVZZCRG-KRWDZBQOSA-N 0 0 444.597 3.545 50 0 IHAARN COc1ccccc1CC(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c21 ZINC000012523437 524385627 /nfs/dbraw/zinc/38/56/27/524385627.db2.gz ASRJRFGEJRHLTE-UHFFFAOYSA-N 0 0 439.537 3.575 50 0 IHAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NC2CCCC2)C3=O)c1 ZINC000020574260 524411800 /nfs/dbraw/zinc/41/18/00/524411800.db2.gz YJXRHGLACWZGOW-VWLOTQADSA-N 0 0 449.576 3.642 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016015082 524442081 /nfs/dbraw/zinc/44/20/81/524442081.db2.gz QUVTXOJJOAFUNM-UHFFFAOYSA-N 0 0 444.578 3.850 50 0 IHAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944225 524449320 /nfs/dbraw/zinc/44/93/20/524449320.db2.gz ILPXUJBFPZGMRR-CYBMUJFWSA-N 0 0 428.901 3.973 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527845 524481406 /nfs/dbraw/zinc/48/14/06/524481406.db2.gz YEGPSFNWBPDHDT-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1Cl ZINC000001173636 524491156 /nfs/dbraw/zinc/49/11/56/524491156.db2.gz QRDAGCMILKWWJK-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H]3Cc4cccc(-c5ncccn5)c4O3)c2)n1 ZINC000011975642 524491932 /nfs/dbraw/zinc/49/19/32/524491932.db2.gz RGKRLYKYPATQEX-NRFANRHFSA-N 0 0 425.492 3.680 50 0 IHAARN Cc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2=O)c1 ZINC000020893679 524495486 /nfs/dbraw/zinc/49/54/86/524495486.db2.gz ZYTHXEOPPLMQKN-UHFFFAOYSA-N 0 0 437.565 3.750 50 0 IHAARN COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl ZINC000012562204 524496257 /nfs/dbraw/zinc/49/62/57/524496257.db2.gz MEINQBHETVKXAJ-NRFANRHFSA-N 0 0 443.931 3.567 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000001079174 524510118 /nfs/dbraw/zinc/51/01/18/524510118.db2.gz PRELNDLEHGZOCA-UHFFFAOYSA-N 0 0 440.617 3.569 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(F)cc32)cc1 ZINC000035535387 524513949 /nfs/dbraw/zinc/51/39/49/524513949.db2.gz YXLIJXKUVONWSS-UHFFFAOYSA-N 0 0 443.478 3.700 50 0 IHAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NC3CC3)[C@@H]2C1 ZINC000035871604 524565611 /nfs/dbraw/zinc/56/56/11/524565611.db2.gz SMWNNDMTVRZQQC-RXVVDRJESA-N 0 0 445.485 3.860 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1C ZINC000022935152 524595969 /nfs/dbraw/zinc/59/59/69/524595969.db2.gz OYTUHQIGGYPTSV-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000022783226 524596159 /nfs/dbraw/zinc/59/61/59/524596159.db2.gz KVJNEYLKKCGSBT-SFHVURJKSA-N 0 0 428.964 3.540 50 0 IHAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023411312 524601285 /nfs/dbraw/zinc/60/12/85/524601285.db2.gz FKNHFCUMTDBMPI-HXUWFJFHSA-N 0 0 427.464 3.557 50 0 IHAARN COc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417369 524606433 /nfs/dbraw/zinc/60/64/33/524606433.db2.gz DBHVTMDUVSJCMY-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1OC ZINC000033128263 524606708 /nfs/dbraw/zinc/60/67/08/524606708.db2.gz HYKIRRSEUVJPRW-HNNXBMFYSA-N 0 0 425.510 3.677 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21 ZINC000035535280 524607058 /nfs/dbraw/zinc/60/70/58/524607058.db2.gz VFQKVYKUWKXISD-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)c1 ZINC000035457260 524607808 /nfs/dbraw/zinc/60/78/08/524607808.db2.gz LPFLURNGZUMTHU-UHFFFAOYSA-N 0 0 430.552 3.872 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)c(OC)c1 ZINC000012389412 524634248 /nfs/dbraw/zinc/63/42/48/524634248.db2.gz UHVDIGGOMVLBTF-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000020516295 524650277 /nfs/dbraw/zinc/65/02/77/524650277.db2.gz ZEAZLJDTDHSOOI-UHFFFAOYSA-N 0 0 437.506 3.924 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)N[C@@H](C)c3ccccc3)s2)cc1 ZINC000032986996 524658126 /nfs/dbraw/zinc/65/81/26/524658126.db2.gz AXTMUVOHLGNCEJ-AWEZNQCLSA-N 0 0 442.566 3.910 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012789937 524668006 /nfs/dbraw/zinc/66/80/06/524668006.db2.gz KLZLWEYMTDZWFN-ZHZULCJRSA-N 0 0 444.451 3.537 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012855432 524673680 /nfs/dbraw/zinc/67/36/80/524673680.db2.gz PZEBEKILYVVXEF-HXUWFJFHSA-N 0 0 434.514 3.922 50 0 IHAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)COc4ccccc4)CC3)ncn2)c1 ZINC000036038163 524716238 /nfs/dbraw/zinc/71/62/38/524716238.db2.gz KKLLSNKATHHMAA-UHFFFAOYSA-N 0 0 438.915 3.958 50 0 IHAARN COc1ccc(Nc2nc(N)c(C(=O)c3ccc(OC)c(OC)c3OC)s2)cc1OC ZINC000032948060 524717842 /nfs/dbraw/zinc/71/78/42/524717842.db2.gz DZLBMOUUXXWHRX-UHFFFAOYSA-N 0 0 445.497 3.743 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1C ZINC000012855514 524719332 /nfs/dbraw/zinc/71/93/32/524719332.db2.gz WUDQVDZDBBSLQJ-UHFFFAOYSA-N 0 0 433.508 3.876 50 0 IHAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc21 ZINC000009439277 534804369 /nfs/dbraw/zinc/80/43/69/534804369.db2.gz MXYUIYDWDNMGSN-UHFFFAOYSA-N 0 0 441.372 3.733 50 0 IHAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012880572 524749113 /nfs/dbraw/zinc/74/91/13/524749113.db2.gz ZZHKLMIBJOKNQT-QGZVFWFLSA-N 0 0 449.619 3.974 50 0 IHAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCc3ccccc3C)c(=O)c2=O)cc1 ZINC000033272535 524768734 /nfs/dbraw/zinc/76/87/34/524768734.db2.gz DIAXCMGAORGBHE-UHFFFAOYSA-N 0 0 441.531 3.535 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)c1ccco1 ZINC000035961059 524807914 /nfs/dbraw/zinc/80/79/14/524807914.db2.gz BCVXMFKHEVETSN-HXUWFJFHSA-N 0 0 435.455 3.877 50 0 IHAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(Cc4ccc(F)cc4F)CC3)n2)c1 ZINC000034678201 524824524 /nfs/dbraw/zinc/82/45/24/524824524.db2.gz IWVREISMEDAJLJ-UHFFFAOYSA-N 0 0 444.457 3.970 50 0 IHAARN COc1ccc(OC)c(NC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000033061379 524846423 /nfs/dbraw/zinc/84/64/23/524846423.db2.gz KXYLLHSAFRUMKP-UHFFFAOYSA-N 0 0 430.461 3.518 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c1 ZINC000035142813 524890757 /nfs/dbraw/zinc/89/07/57/524890757.db2.gz RCYIHEJNXCGACT-INIZCTEOSA-N 0 0 444.281 3.798 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC(C)C)c1 ZINC000036045391 524898289 /nfs/dbraw/zinc/89/82/89/524898289.db2.gz WLTIMCXKSCMXKW-PMACEKPBSA-N 0 0 430.932 3.738 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036059407 524898403 /nfs/dbraw/zinc/89/84/03/524898403.db2.gz ZEKZFWJNZZTTCZ-LEWJYISDSA-N 0 0 440.515 3.711 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035948612 524912840 /nfs/dbraw/zinc/91/28/40/524912840.db2.gz DQQIGANAJBOEHO-GOSISDBHSA-N 0 0 429.542 3.557 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 ZINC000012917461 524914127 /nfs/dbraw/zinc/91/41/27/524914127.db2.gz PYUODYAUSLLSQS-QGZVFWFLSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc(OCC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035399548 524928105 /nfs/dbraw/zinc/92/81/05/524928105.db2.gz WNIMFDPQOFCCPW-UHFFFAOYSA-N 0 0 433.508 3.817 50 0 biogenic IHAARN C[C@H](NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2cncn2)cc1 ZINC000012783483 524929231 /nfs/dbraw/zinc/92/92/31/524929231.db2.gz NDEMTAHGBWXBNJ-SELVFMLMSA-N 0 0 435.572 3.557 50 0 IHAARN C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000012784954 524950633 /nfs/dbraw/zinc/95/06/33/524950633.db2.gz YMDWRZWERPPICJ-DZGCQCFKSA-N 0 0 434.480 3.787 50 0 IHAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000022820722 524955866 /nfs/dbraw/zinc/95/58/66/524955866.db2.gz HREGSVGETNXYGE-HXUWFJFHSA-N 0 0 425.573 3.842 50 0 IHAARN COc1ccc(OCCOC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012903372 524962368 /nfs/dbraw/zinc/96/23/68/524962368.db2.gz XITGXAXPKOLRCB-VBSWXYJSSA-N 0 0 427.541 3.825 50 0 IHAARN COc1ccc(OCc2cc(C(=O)NCCc3cn4ccccc4n3)no2)c(Cl)c1 ZINC000020917907 524972258 /nfs/dbraw/zinc/97/22/58/524972258.db2.gz PTQUEGGFGMSCEX-UHFFFAOYSA-N 0 0 426.860 3.536 50 0 IHAARN Cc1ccc(N2C[C@@H](NC(=O)N3CCn4cccc4[C@H]3c3ccccc3F)CC2=O)cc1 ZINC000012361882 524982140 /nfs/dbraw/zinc/98/21/40/524982140.db2.gz KWTOAWSCGSSQQM-MHECFPHRSA-N 0 0 432.499 3.856 50 0 IHAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012816345 525037805 /nfs/dbraw/zinc/03/78/05/525037805.db2.gz ONJCEKVFQQQMJC-UHFFFAOYSA-N 0 0 431.525 3.765 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000012762964 525052073 /nfs/dbraw/zinc/05/20/73/525052073.db2.gz LKAXRLXMUFQNAO-TXEJJXNPSA-N 0 0 444.887 3.668 50 0 IHAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O ZINC000012688929 525078507 /nfs/dbraw/zinc/07/85/07/525078507.db2.gz AIJBBEJGFGTUCW-GFCCVEGCSA-N 0 0 440.550 3.818 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3N(CC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000002686945 525088794 /nfs/dbraw/zinc/08/87/94/525088794.db2.gz OZZQLUNNKVKADI-NRFANRHFSA-N 0 0 446.482 3.929 50 0 IHAARN COc1nn(C)cc1C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000021011236 525090640 /nfs/dbraw/zinc/09/06/40/525090640.db2.gz CGSNCCGPBZJQMH-UHFFFAOYSA-N 0 0 429.449 3.844 50 0 IHAARN COc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCOCC2)cc1 ZINC000012370948 525094563 /nfs/dbraw/zinc/09/45/63/525094563.db2.gz XQQSVDQASBRVHC-UHFFFAOYSA-N 0 0 434.901 3.673 50 0 IHAARN Cc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1S(=O)(=O)N(C)C ZINC000012893340 525095864 /nfs/dbraw/zinc/09/58/64/525095864.db2.gz ABFXMJFKQZMZFU-UHFFFAOYSA-N 0 0 433.530 3.689 50 0 IHAARN C[C@@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000012597242 525112557 /nfs/dbraw/zinc/11/25/57/525112557.db2.gz XSVCNQUXUKDJQO-GOSISDBHSA-N 0 0 437.565 3.914 50 0 IHAARN Cc1cc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)ccc1Br ZINC000012770867 525138689 /nfs/dbraw/zinc/13/86/89/525138689.db2.gz HPWWCCUKCBKWEG-UHFFFAOYSA-N 0 0 444.373 3.724 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000002983579 525150466 /nfs/dbraw/zinc/15/04/66/525150466.db2.gz AGMLYHNBHULHAC-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1Cl ZINC000012895832 525159255 /nfs/dbraw/zinc/15/92/55/525159255.db2.gz DHIYKKDCFFBGMA-CYBMUJFWSA-N 0 0 427.979 3.615 50 0 IHAARN C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccco1 ZINC000021853753 525212660 /nfs/dbraw/zinc/21/26/60/525212660.db2.gz OKEYYWNQFGORKL-AREMUKBSSA-N 0 0 440.503 3.874 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F ZINC000012507214 525217822 /nfs/dbraw/zinc/21/78/22/525217822.db2.gz PXLJAKYEQWWVBA-ZDUSSCGKSA-N 0 0 430.480 3.920 50 0 IHAARN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Br)no1 ZINC000012028742 525229105 /nfs/dbraw/zinc/22/91/05/525229105.db2.gz YMQJHTKRVRGXTE-KRWDZBQOSA-N 0 0 428.286 3.725 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)no1 ZINC000012636519 525229955 /nfs/dbraw/zinc/22/99/55/525229955.db2.gz KUOCOBRLMLVLFH-HNNXBMFYSA-N 0 0 444.536 3.808 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2ccccc2[C@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000020573849 525239164 /nfs/dbraw/zinc/23/91/64/525239164.db2.gz PURVBKYLWKXRBB-VWLOTQADSA-N 0 0 443.528 3.913 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O ZINC000012886541 525240710 /nfs/dbraw/zinc/24/07/10/525240710.db2.gz SZWUNMMTVDOSIP-XMMPIXPASA-N 0 0 449.507 3.610 50 0 IHAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 ZINC000016975177 525241758 /nfs/dbraw/zinc/24/17/58/525241758.db2.gz MYSNGRPZXTVTOZ-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012928211 525252637 /nfs/dbraw/zinc/25/26/37/525252637.db2.gz RMADAFMEYNTSNJ-QFIPXVFZSA-N 0 0 426.563 3.738 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021100107 525280050 /nfs/dbraw/zinc/28/00/50/525280050.db2.gz GUAPMYHQKRVFBU-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc([C@H](CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)NC(C)=O)cc1 ZINC000021395587 525345798 /nfs/dbraw/zinc/34/57/98/525345798.db2.gz BQZAIWLRPGFYAR-KRWDZBQOSA-N 0 0 439.493 3.753 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)N2CCOCC2)cc1 ZINC000012926370 525358648 /nfs/dbraw/zinc/35/86/48/525358648.db2.gz GLKNLIUIDQUHJL-VWLOTQADSA-N 0 0 433.552 3.859 50 0 IHAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 ZINC000065489708 525369373 /nfs/dbraw/zinc/36/93/73/525369373.db2.gz HWXPQEYNQLTXFB-DOMZBBRYSA-N 0 0 427.302 3.867 50 0 IHAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 ZINC000012662399 525435096 /nfs/dbraw/zinc/43/50/96/525435096.db2.gz AVRNXAYFHJFLFS-HRNNMHKYSA-N 0 0 438.568 3.688 50 0 biogenic IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000017162252 525441243 /nfs/dbraw/zinc/44/12/43/525441243.db2.gz SVCYQULFGCRADS-UKRRQHHQSA-N 0 0 440.521 3.615 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)nc12 ZINC000041086130 525463386 /nfs/dbraw/zinc/46/33/86/525463386.db2.gz IOOMJOGQESEHLO-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012863583 525486296 /nfs/dbraw/zinc/48/62/96/525486296.db2.gz NXPNKJSWSLJHNG-UHFFFAOYSA-N 0 0 443.352 3.563 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(OC)c(C)c4oc3=O)c2c1 ZINC000012893485 525493254 /nfs/dbraw/zinc/49/32/54/525493254.db2.gz VOGHCPMMMYEQHT-UHFFFAOYSA-N 0 0 434.492 3.810 50 0 biogenic IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000012707371 525530596 /nfs/dbraw/zinc/53/05/96/525530596.db2.gz KAHOYOQSNWDDSB-QGZVFWFLSA-N 0 0 434.565 3.532 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)C2)s1 ZINC000012858217 525531094 /nfs/dbraw/zinc/53/10/94/525531094.db2.gz HVSHUQRIZMCHFY-GXTWGEPZSA-N 0 0 439.628 3.677 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1C ZINC000035596944 525531268 /nfs/dbraw/zinc/53/12/68/525531268.db2.gz DHLZGIGGWSPPHO-QGZVFWFLSA-N 0 0 441.509 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C ZINC000023030013 525543575 /nfs/dbraw/zinc/54/35/75/525543575.db2.gz VRSNQRRPESCPMF-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020729062 525550219 /nfs/dbraw/zinc/55/02/19/525550219.db2.gz BFPWSFSFFBTRNW-MRXNPFEDSA-N 0 0 426.494 3.694 50 0 IHAARN Cc1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1OC(F)F ZINC000012506459 525552512 /nfs/dbraw/zinc/55/25/12/525552512.db2.gz JSPJIRVPEUEUDA-SFHVURJKSA-N 0 0 429.427 3.512 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cccc(F)c3)CC1)c1cccn1-2 ZINC000035399364 525554046 /nfs/dbraw/zinc/55/40/46/525554046.db2.gz NZPBNPRKISOPIB-UHFFFAOYSA-N 0 0 427.501 3.731 50 0 biogenic IHAARN CSCC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000012557455 525558162 /nfs/dbraw/zinc/55/81/62/525558162.db2.gz WXIDZAJCTGYTRL-QHAWAJNXSA-N 0 0 443.613 3.912 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2cccc(C)c2)cc1 ZINC000021157021 525559518 /nfs/dbraw/zinc/55/95/18/525559518.db2.gz KZCNBYQDEIHADA-XMMPIXPASA-N 0 0 434.561 3.735 50 0 IHAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012438005 525593594 /nfs/dbraw/zinc/59/35/94/525593594.db2.gz OIZIOMXXIWTNIG-ZILOHOTNSA-N 0 0 443.565 3.890 50 0 IHAARN COc1ccc2c(c1)c(CC(=O)N1CCN(C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012797932 525601840 /nfs/dbraw/zinc/60/18/40/525601840.db2.gz ITZXGGAPJFMWMH-UHFFFAOYSA-N 0 0 439.943 3.617 50 0 IHAARN Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274499 525623380 /nfs/dbraw/zinc/62/33/80/525623380.db2.gz VSGUSOYWWUKFFV-QGZVFWFLSA-N 0 0 437.887 3.946 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1 ZINC000021579979 525625414 /nfs/dbraw/zinc/62/54/14/525625414.db2.gz LQAHOPIQLUTGLB-UHFFFAOYSA-N 0 0 445.563 3.832 50 0 IHAARN Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000009888931 525657398 /nfs/dbraw/zinc/65/73/98/525657398.db2.gz FNMAHQUBGRJFGR-UHFFFAOYSA-N 0 0 446.638 3.921 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000003448782 534872829 /nfs/dbraw/zinc/87/28/29/534872829.db2.gz YNOJGWTZEVXGRW-UHFFFAOYSA-N 0 0 429.929 3.602 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)CCc4ccccc4)c3)cc(=O)n2o1 ZINC000041089587 525669829 /nfs/dbraw/zinc/66/98/29/525669829.db2.gz UAKFPGZIHBUVQJ-UHFFFAOYSA-N 0 0 445.475 3.833 50 0 IHAARN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)sc2nc3n(c(=O)c12)CCC3 ZINC000012856214 525670111 /nfs/dbraw/zinc/67/01/11/525670111.db2.gz VDGSDHURZJDELF-JTQLQIEISA-N 0 0 449.891 3.689 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)/C=C/c4ccccc4)c3)cc(=O)n2o1 ZINC000041089578 525671347 /nfs/dbraw/zinc/67/13/47/525671347.db2.gz FCMAVTWKGCXWQT-PKNBQFBNSA-N 0 0 443.459 3.913 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(C)c(F)c4)c3C)cc(=O)n2o1 ZINC000041089636 525672856 /nfs/dbraw/zinc/67/28/56/525672856.db2.gz GJBRDBWAZYOBSD-UHFFFAOYSA-N 0 0 449.438 3.961 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)[C@@H](C)Oc4cccc(C)c4)cc3)cc(=O)n2o1 ZINC000035378610 525673719 /nfs/dbraw/zinc/67/37/19/525673719.db2.gz JMPKMPMSTHORHJ-QGZVFWFLSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccc(F)cc3)c(=O)c12 ZINC000020947443 525676933 /nfs/dbraw/zinc/67/69/33/525676933.db2.gz FVNNEIFMTNXFSH-UHFFFAOYSA-N 0 0 438.890 3.913 50 0 IHAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCCc3cccs3)c(=O)c12 ZINC000020976915 525676962 /nfs/dbraw/zinc/67/69/62/525676962.db2.gz VOPMTBFQUCAJMT-UHFFFAOYSA-N 0 0 440.956 3.878 50 0 IHAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000020869450 525685271 /nfs/dbraw/zinc/68/52/71/525685271.db2.gz GCUUEBLNCNUUCJ-UHFFFAOYSA-N 0 0 436.552 3.662 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3OC)n2)c1 ZINC000015670464 525717856 /nfs/dbraw/zinc/71/78/56/525717856.db2.gz ZBEHYICKIBYSTH-GOSISDBHSA-N 0 0 442.479 3.524 50 0 IHAARN COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)c1OC ZINC000035460002 525720553 /nfs/dbraw/zinc/72/05/53/525720553.db2.gz AEIXNYNQXAFXFV-UHFFFAOYSA-N 0 0 447.495 3.783 50 0 IHAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012763615 525733308 /nfs/dbraw/zinc/73/33/08/525733308.db2.gz NVAUIXIUSUUFBM-CYBMUJFWSA-N 0 0 440.537 3.573 50 0 IHAARN Cc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n3n2)cc1 ZINC000015881696 525756392 /nfs/dbraw/zinc/75/63/92/525756392.db2.gz ZKONYPYGUQEKKG-UHFFFAOYSA-N 0 0 433.493 3.602 50 0 IHAARN Cc1ccc([C@@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012567546 525771635 /nfs/dbraw/zinc/77/16/35/525771635.db2.gz HCFZGPZUQGNCMC-ZCYQVOJMSA-N 0 0 440.609 3.632 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000020893872 525786859 /nfs/dbraw/zinc/78/68/59/525786859.db2.gz FXNPOAHWFXPRCV-MRXNPFEDSA-N 0 0 435.549 3.764 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1OC ZINC000035553115 525803348 /nfs/dbraw/zinc/80/33/48/525803348.db2.gz QQKVZZMDOWBPAK-UHFFFAOYSA-N 0 0 448.523 3.984 50 0 IHAARN COc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)c1 ZINC000022147998 525810541 /nfs/dbraw/zinc/81/05/41/525810541.db2.gz PUDXDHKGQAGQKW-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000022069734 525812029 /nfs/dbraw/zinc/81/20/29/525812029.db2.gz SUPXPMQTGNAQCM-UHFFFAOYSA-N 0 0 431.558 3.764 50 0 IHAARN Cc1c(N2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012372091 525823676 /nfs/dbraw/zinc/82/36/76/525823676.db2.gz WRSKBELJWDFWOP-RUZDIDTESA-N 0 0 445.906 3.992 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc2)c1 ZINC000021632930 525832066 /nfs/dbraw/zinc/83/20/66/525832066.db2.gz TVXLAABSIWFWNC-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@@H](NC(=O)c4ccco4)C(C)C)CC3)n2)cc1 ZINC000035375788 525875279 /nfs/dbraw/zinc/87/52/79/525875279.db2.gz VJQDFXZNKAWASS-FQEVSTJZSA-N 0 0 436.512 3.799 50 0 IHAARN CC(=O)c1cccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)c1 ZINC000009708863 534892728 /nfs/dbraw/zinc/89/27/28/534892728.db2.gz JQYPTYUDXPGKFO-UHFFFAOYSA-N 0 0 432.484 3.601 50 0 IHAARN Cc1c(O)ccc2c(C)c(CCC(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc12 ZINC000020647790 525879785 /nfs/dbraw/zinc/87/97/85/525879785.db2.gz WUGAFHWLPRZJNY-UHFFFAOYSA-N 0 0 436.508 3.519 50 0 IHAARN C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021856916 525887102 /nfs/dbraw/zinc/88/71/02/525887102.db2.gz SYDLVRIDEYHYDA-YWZLYKJASA-N 0 0 439.487 3.812 50 0 IHAARN Cc1ccc(-c2noc3ncn(CCC(=O)N[C@@H]4CCCc5ccccc54)c(=O)c32)cc1 ZINC000032933666 525888500 /nfs/dbraw/zinc/88/85/00/525888500.db2.gz NCYRGBSXNCJFAA-HXUWFJFHSA-N 0 0 428.492 3.944 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)nc1 ZINC000012632318 525898908 /nfs/dbraw/zinc/89/89/08/525898908.db2.gz PHCHOALBGDYDJS-UHFFFAOYSA-N 0 0 430.533 3.540 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)[C@H]4CCOC4)c(C)c32)c1 ZINC000012190326 525902487 /nfs/dbraw/zinc/90/24/87/525902487.db2.gz WAXCUKUWLNFLOS-INIZCTEOSA-N 0 0 426.542 3.524 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)c4c[nH]c5ccccc45)nnc3c2=O)cc1C ZINC000035447921 525915514 /nfs/dbraw/zinc/91/55/14/525915514.db2.gz SJDBGEKSZQRWPV-UHFFFAOYSA-N 0 0 429.505 3.953 50 0 IHAARN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC000012701774 525932196 /nfs/dbraw/zinc/93/21/96/525932196.db2.gz YZQZGQNLRAOQLF-NRFANRHFSA-N 0 0 428.492 3.522 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)C3CCCC3)CC2)c(C)c1 ZINC000036025930 525934882 /nfs/dbraw/zinc/93/48/82/525934882.db2.gz SPTGTSOFIMERKW-UHFFFAOYSA-N 0 0 432.572 3.970 50 0 IHAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2ccccc2F)nc3C2CC2)cc1C ZINC000022768184 525935300 /nfs/dbraw/zinc/93/53/00/525935300.db2.gz WHQUBBMBMHPORZ-UHFFFAOYSA-N 0 0 431.471 3.854 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)NCCC1=CCCCC1)nc2C ZINC000020563609 525936761 /nfs/dbraw/zinc/93/67/61/525936761.db2.gz XWZLRLYRCKEYBD-UHFFFAOYSA-N 0 0 433.556 3.986 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)cc2=O)s1 ZINC000041077409 525941439 /nfs/dbraw/zinc/94/14/39/525941439.db2.gz PXWXXEXOYCHYEP-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN CSc1ccc(-c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(N3CCC(O)CC3)n2)cc1 ZINC000020997730 525947589 /nfs/dbraw/zinc/94/75/89/525947589.db2.gz SYFKPENVFQCPMS-CALCHBBNSA-N 0 0 441.597 3.681 50 0 IHAARN C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018759528 525971105 /nfs/dbraw/zinc/97/11/05/525971105.db2.gz NBHOSQHFOCXAKK-JLEDNIFVSA-N 0 0 448.654 3.610 50 0 IHAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000035533645 525974452 /nfs/dbraw/zinc/97/44/52/525974452.db2.gz NNFALVQFHHWAHO-CQSZACIVSA-N 0 0 443.598 3.740 50 0 IHAARN CSc1ccc(Cc2nnc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)o2)cc1 ZINC000035588372 526009770 /nfs/dbraw/zinc/00/97/70/526009770.db2.gz PGPNJOHJEUQSNS-UHFFFAOYSA-N 0 0 449.529 3.714 50 0 IHAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 ZINC000012553685 526012299 /nfs/dbraw/zinc/01/22/99/526012299.db2.gz HXJMBAYIZLDWQX-QGZVFWFLSA-N 0 0 425.558 3.643 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NCC(F)(F)F ZINC000017880577 526013025 /nfs/dbraw/zinc/01/30/25/526013025.db2.gz BQQMNLLUDDOVTI-LLVKDONJSA-N 0 0 433.887 3.680 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911721 526037193 /nfs/dbraw/zinc/03/71/93/526037193.db2.gz HWVCGJJTFSVPNQ-UHFFFAOYSA-N 0 0 449.580 3.909 50 0 IHAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000022435729 526059986 /nfs/dbraw/zinc/05/99/86/526059986.db2.gz MXAJUZZWMOUYDU-QGZVFWFLSA-N 0 0 433.549 3.903 50 0 IHAARN COc1cccc(Cc2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)c1 ZINC000035460030 526084549 /nfs/dbraw/zinc/08/45/49/526084549.db2.gz BBQQQSIKGASRPX-UHFFFAOYSA-N 0 0 431.496 3.698 50 0 IHAARN COc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000015768087 526110740 /nfs/dbraw/zinc/11/07/40/526110740.db2.gz ZGGOYHUIXOBIRJ-UHFFFAOYSA-N 0 0 434.517 3.903 50 0 IHAARN Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1C ZINC000021848790 526128471 /nfs/dbraw/zinc/12/84/71/526128471.db2.gz QZWCQAQPSVOPGK-UHFFFAOYSA-N 0 0 446.956 3.570 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000012561545 526131771 /nfs/dbraw/zinc/13/17/71/526131771.db2.gz JNOLAZQZUYUOLB-MRXNPFEDSA-N 0 0 432.362 3.745 50 0 IHAARN Cc1ccc2c(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc(=O)oc2c1C ZINC000009665732 526132768 /nfs/dbraw/zinc/13/27/68/526132768.db2.gz LMEZEKYFDLHYSK-UHFFFAOYSA-N 0 0 449.912 3.671 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000001133028 526144140 /nfs/dbraw/zinc/14/41/40/526144140.db2.gz MURFOVNETUOPJY-UHFFFAOYSA-N 0 0 448.548 3.677 50 0 IHAARN Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012786400 526144452 /nfs/dbraw/zinc/14/44/52/526144452.db2.gz YUUGMIYISKWLFN-UHFFFAOYSA-N 0 0 434.508 3.653 50 0 IHAARN COc1cccc(N2CCN(C(=O)CS[C@H]3CCc4ccccc4NC3=O)CC2)c1 ZINC000012324353 526147772 /nfs/dbraw/zinc/14/77/72/526147772.db2.gz OMZAYQMNTYPWDV-NRFANRHFSA-N 0 0 425.554 3.680 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N(C)CCOc3ccc(Br)cc3)ccc12 ZINC000012801305 526148992 /nfs/dbraw/zinc/14/89/92/526148992.db2.gz GOGANZRIXKBPKW-UHFFFAOYSA-N 0 0 446.297 3.780 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 ZINC000012523429 526155415 /nfs/dbraw/zinc/15/54/15/526155415.db2.gz MBGPUHSIMRVCKY-UHFFFAOYSA-N 0 0 434.867 3.878 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 ZINC000012872218 526155742 /nfs/dbraw/zinc/15/57/42/526155742.db2.gz KKPGKFBVYBXHCQ-UHFFFAOYSA-N 0 0 447.560 3.932 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 ZINC000012567357 526172119 /nfs/dbraw/zinc/17/21/19/526172119.db2.gz BDDUGZKZNRDWLB-UHFFFAOYSA-N 0 0 438.553 3.950 50 0 IHAARN COc1cccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000012927803 526173419 /nfs/dbraw/zinc/17/34/19/526173419.db2.gz QIHVQJURLORUOI-UHFFFAOYSA-N 0 0 442.869 3.913 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000022298666 526176032 /nfs/dbraw/zinc/17/60/32/526176032.db2.gz GHFGEPHVCAIRPP-YOEHRIQHSA-N 0 0 438.528 3.767 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 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3.876 50 0 IHAARN Clc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000022698846 526957070 /nfs/dbraw/zinc/95/70/70/526957070.db2.gz DYLHAQVVZYHVNE-UHFFFAOYSA-N 0 0 449.946 3.957 50 0 IHAARN O=C(COc1ccc(F)cc1Cl)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012798438 526961313 /nfs/dbraw/zinc/96/13/13/526961313.db2.gz HOTALMNAOIRZIF-UHFFFAOYSA-N 0 0 432.835 3.715 50 0 IHAARN Cc1nc(N2CCC(NC(=O)c3cc(-c4ccccc4)on3)CC2)cc(C(F)(F)F)n1 ZINC000245131288 526962532 /nfs/dbraw/zinc/96/25/32/526962532.db2.gz VNIRHLQLHGJYHP-UHFFFAOYSA-N 0 0 431.418 3.858 50 0 IHAARN Cc1nc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)sc1CC(N)=O ZINC000022487363 527016028 /nfs/dbraw/zinc/01/60/28/527016028.db2.gz SRFJJCYBXJEXII-SFHVURJKSA-N 0 0 449.648 3.869 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C[C@@H]2CCCO2)c1C ZINC000021568800 527023307 /nfs/dbraw/zinc/02/33/07/527023307.db2.gz HUVRAAMBJVQZGS-RXVVDRJESA-N 0 0 444.601 3.635 50 0 IHAARN O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000022797430 527027936 /nfs/dbraw/zinc/02/79/36/527027936.db2.gz GVFAWVNSPIJDPQ-XBGMYJNYSA-N 0 0 443.469 3.668 50 0 IHAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000013128323 527052580 /nfs/dbraw/zinc/05/25/80/527052580.db2.gz DOGMTKSAGLUZQY-UHFFFAOYSA-N 0 0 448.577 3.589 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012901739 527073089 /nfs/dbraw/zinc/07/30/89/527073089.db2.gz HVRFLJHWMMVOAB-UHFFFAOYSA-N 0 0 441.419 3.868 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)o1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000012766017 527080166 /nfs/dbraw/zinc/08/01/66/527080166.db2.gz VMUXBKLXMHWDEB-UHFFFAOYSA-N 0 0 441.003 3.950 50 0 IHAARN O=C(C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1)N1CCCCC1 ZINC000012781456 527096343 /nfs/dbraw/zinc/09/63/43/527096343.db2.gz IPXYFQZFPPUKCC-MRXNPFEDSA-N 0 0 444.450 3.665 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)cc1F ZINC000012233153 527136261 /nfs/dbraw/zinc/13/62/61/527136261.db2.gz NENDWBXRJSSDPL-CQSZACIVSA-N 0 0 439.447 3.536 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012757969 527158622 /nfs/dbraw/zinc/15/86/22/527158622.db2.gz RXZMVDOTLYTOSD-LLVKDONJSA-N 0 0 447.351 3.689 50 0 IHAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1=O ZINC000033005791 527162744 /nfs/dbraw/zinc/16/27/44/527162744.db2.gz YZRXYEXLSLHUAX-UHFFFAOYSA-N 0 0 438.531 3.716 50 0 IHAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(Cl)cc1 ZINC000012233132 527180434 /nfs/dbraw/zinc/18/04/34/527180434.db2.gz XTKQFWDAOBAVAH-INIZCTEOSA-N 0 0 437.912 3.911 50 0 IHAARN O=S(=O)(Cc1ccccc1)N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012804492 527196207 /nfs/dbraw/zinc/19/62/07/527196207.db2.gz MSYCLUQJEQAGCS-UHFFFAOYSA-N 0 0 431.945 3.643 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000036015036 527202319 /nfs/dbraw/zinc/20/23/19/527202319.db2.gz VBLWJNHVOJBLLP-PKTZIBPZSA-N 0 0 449.457 3.824 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1)c1ccc(F)cc1F ZINC000034667544 527227063 /nfs/dbraw/zinc/22/70/63/527227063.db2.gz VZYPJMSZHGSNIZ-UHFFFAOYSA-N 0 0 428.464 3.636 50 0 IHAARN O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012803002 527242883 /nfs/dbraw/zinc/24/28/83/527242883.db2.gz LXGBRHSSYYVUJJ-MRXNPFEDSA-N 0 0 430.860 3.733 50 0 IHAARN O=S(=O)(c1ccc(-c2ccon2)s1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000015071435 527268459 /nfs/dbraw/zinc/26/84/59/527268459.db2.gz VYMMQLXIJZMRFV-ZDUSSCGKSA-N 0 0 425.482 3.947 50 0 IHAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000020683032 527270294 /nfs/dbraw/zinc/27/02/94/527270294.db2.gz NJHXJSCTYAMGMW-UHFFFAOYSA-N 0 0 426.325 3.641 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000012415231 527272153 /nfs/dbraw/zinc/27/21/53/527272153.db2.gz FLWYKDNJQZNBQR-UHFFFAOYSA-N 0 0 447.900 3.687 50 0 IHAARN O=S(=O)(c1ccc2oc(Nc3ccccc3C(F)(F)F)nc2c1)N1CCOCC1 ZINC000012540711 527281842 /nfs/dbraw/zinc/28/18/42/527281842.db2.gz GVVFETHCSAEIMV-UHFFFAOYSA-N 0 0 427.404 3.611 50 0 IHAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000013121141 527316696 /nfs/dbraw/zinc/31/66/96/527316696.db2.gz XEGCQHHVCVFSDO-UHFFFAOYSA-N 0 0 429.480 3.577 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)C1=CSCCO1 ZINC000021019362 527327829 /nfs/dbraw/zinc/32/78/29/527327829.db2.gz PSFDKZLZINBLEB-UHFFFAOYSA-N 0 0 443.956 3.846 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 ZINC000021354861 527329551 /nfs/dbraw/zinc/32/95/51/527329551.db2.gz KIEVBEUTEKHRKR-UHFFFAOYSA-N 0 0 443.429 3.981 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000012360172 527351570 /nfs/dbraw/zinc/35/15/70/527351570.db2.gz LVNBSVSLPRTIHC-UHFFFAOYSA-N 0 0 427.863 3.669 50 0 biogenic,in-vitro IHAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21)NCc1ccc(F)cc1 ZINC000035535295 527366017 /nfs/dbraw/zinc/36/60/17/527366017.db2.gz UCMGRUQKNOYGHY-UHFFFAOYSA-N 0 0 449.869 3.736 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)ccc21 ZINC000015784349 527374295 /nfs/dbraw/zinc/37/42/95/527374295.db2.gz BTAASGRIOBXMTO-SFHVURJKSA-N 0 0 445.972 3.549 50 0 IHAARN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020995158 527395452 /nfs/dbraw/zinc/39/54/52/527395452.db2.gz BGFDPSAWVYYBHE-OAQYLSRUSA-N 0 0 431.517 3.763 50 0 IHAARN Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000021155900 527401998 /nfs/dbraw/zinc/40/19/98/527401998.db2.gz YWJAODJAINDHBV-JOCHJYFZSA-N 0 0 436.943 3.533 50 0 IHAARN O=C(Cn1nc(Cl)ccc1=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012387345 527415978 /nfs/dbraw/zinc/41/59/78/527415978.db2.gz NNSLAENTDWIPPU-HXUWFJFHSA-N 0 0 435.911 3.685 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2)NCCc1ccccc1 ZINC000023139658 527418398 /nfs/dbraw/zinc/41/83/98/527418398.db2.gz CBTZCHCFKFYDHI-UHFFFAOYSA-N 0 0 442.491 3.519 50 0 IHAARN Cn1ccnc1SCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000020989264 527449395 /nfs/dbraw/zinc/44/93/95/527449395.db2.gz AIEWINAUZYIKJR-UHFFFAOYSA-N 0 0 430.125 3.886 50 0 IHAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)o1 ZINC000035597551 527466277 /nfs/dbraw/zinc/46/62/77/527466277.db2.gz RGMYVZWOKHMWNK-UHFFFAOYSA-N 0 0 436.489 3.871 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012343596 527478278 /nfs/dbraw/zinc/47/82/78/527478278.db2.gz QOJSVKWYSAWWOF-UHFFFAOYSA-N 0 0 440.632 3.961 50 0 IHAARN Cc1ncsc1CCC(=O)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012385821 527483477 /nfs/dbraw/zinc/48/34/77/527483477.db2.gz CBWQRRONUGEJER-UHFFFAOYSA-N 0 0 437.569 3.626 50 0 IHAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1OCc1ccc(F)cc1 ZINC000021128708 527507862 /nfs/dbraw/zinc/50/78/62/527507862.db2.gz DBQDSFWIZKPZOX-UHFFFAOYSA-N 0 0 427.501 3.946 50 0 IHAARN O=C(NC1CCCC1)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000022597770 527508488 /nfs/dbraw/zinc/50/84/88/527508488.db2.gz POEJNADHDKYUMS-HXUWFJFHSA-N 0 0 430.552 3.720 50 0 IHAARN O=C(NC1CCCC1)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063390 527510964 /nfs/dbraw/zinc/51/09/64/527510964.db2.gz JMUJPXOUNKIUQS-SFHVURJKSA-N 0 0 439.459 3.780 50 0 IHAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2ccccc2)n1 ZINC000020946736 527519900 /nfs/dbraw/zinc/51/99/00/527519900.db2.gz PRZHWZPHQXUUQR-UHFFFAOYSA-N 0 0 438.285 3.923 50 0 IHAARN O=C(NC1CCCCCC1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663314 527520515 /nfs/dbraw/zinc/52/05/15/527520515.db2.gz UUFUAERCODJJDI-FQEVSTJZSA-N 0 0 434.540 3.770 50 0 IHAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccccc1Br ZINC000033169797 527537304 /nfs/dbraw/zinc/53/73/04/527537304.db2.gz NJEIDXZDBVSDLK-GFCCVEGCSA-N 0 0 427.258 3.605 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000035990335 527554587 /nfs/dbraw/zinc/55/45/87/527554587.db2.gz YOZSJOCCKLLWNB-UHFFFAOYSA-N 0 0 438.535 3.964 50 0 IHAARN Cn1nc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n(-c2ccccc2)c1=O ZINC000077100562 527557066 /nfs/dbraw/zinc/55/70/66/527557066.db2.gz MFPBYSMDWQTQFJ-HNNXBMFYSA-N 0 0 430.430 3.610 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1c(=O)cc(C)n(Cc2cccnc2)c1CC1CCCC1 ZINC000014994639 527635513 /nfs/dbraw/zinc/63/55/13/527635513.db2.gz KWBALJMTJLKWJX-UHFFFAOYSA-N 0 0 447.583 3.613 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1cc(C)cc(C)c1 ZINC000020945820 527655540 /nfs/dbraw/zinc/65/55/40/527655540.db2.gz DFCDKTCJCREWCF-UHFFFAOYSA-N 0 0 440.569 3.796 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000020239781 527655782 /nfs/dbraw/zinc/65/57/82/527655782.db2.gz WURMKGNHDZHEMC-UHFFFAOYSA-N 0 0 446.960 3.833 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734591 527663829 /nfs/dbraw/zinc/66/38/29/527663829.db2.gz PRNLGSOUCDHSHU-XSFVSMFZSA-N 0 0 439.512 3.653 50 0 IHAARN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)c12 ZINC000021135118 527683405 /nfs/dbraw/zinc/68/34/05/527683405.db2.gz YPUWURYCTODOKC-UHFFFAOYSA-N 0 0 426.590 3.907 50 0 IHAARN Cc1nn(CC(=O)NCc2ccccc2Br)c(=O)c2c3ccccc3sc21 ZINC000020466879 527702357 /nfs/dbraw/zinc/70/23/57/527702357.db2.gz GVZMEDGOZBHXHH-UHFFFAOYSA-N 0 0 442.338 3.999 50 0 IHAARN CC(C)(CC(=O)NCCc1ccccc1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004687691 534984948 /nfs/dbraw/zinc/98/49/48/534984948.db2.gz GARQUWXRUVVKHN-UHFFFAOYSA-N 0 0 425.548 3.640 50 0 IHAARN CC(C)CCn1nc(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c2ccccc2c1=O ZINC000009509895 534990690 /nfs/dbraw/zinc/99/06/90/534990690.db2.gz DMYCLGRVTKDGKV-SFHVURJKSA-N 0 0 447.535 3.967 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3CC[C@H]2C)c1 ZINC000006822457 535629879 /nfs/dbraw/zinc/62/98/79/535629879.db2.gz CSVZJPFEQNXILH-GOSISDBHSA-N 0 0 429.586 3.805 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009153005 536814206 /nfs/dbraw/zinc/81/42/06/536814206.db2.gz ONLFWGVGOBNEOZ-QGZVFWFLSA-N 0 0 434.544 3.725 50 0 IHAARN Cn1c2nc(Oc3ccccc3Cl)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000000622322 555511101 /nfs/dbraw/zinc/51/11/01/555511101.db2.gz XKXUOQXASSACEQ-UHFFFAOYSA-N 0 0 449.269 3.720 50 0 IHAARN CCOc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000000621941 555511136 /nfs/dbraw/zinc/51/11/36/555511136.db2.gz OXUHIUXBHASTCZ-UHFFFAOYSA-N 0 0 441.347 3.561 50 0 IHAARN O=C(N[C@H](Nc1ccc(I)cc1)C(=O)c1ccccc1)c1ccco1 ZINC000000631490 555514923 /nfs/dbraw/zinc/51/49/23/555514923.db2.gz SOEJJZVTVGVTGX-SFHVURJKSA-N 0 0 446.244 3.935 50 0 IHAARN Cn1c2nc(SCc3ccc(F)cc3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000000638220 555517210 /nfs/dbraw/zinc/51/72/10/555517210.db2.gz YFBLAHUBPCYABO-UHFFFAOYSA-N 0 0 430.892 3.556 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)cc1 ZINC000000637429 555517230 /nfs/dbraw/zinc/51/72/30/555517230.db2.gz UMFZEJUSGZNWDB-UHFFFAOYSA-N 0 0 434.565 3.667 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000000655122 555524369 /nfs/dbraw/zinc/52/43/69/555524369.db2.gz GWRRSIATZQQWFG-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 ZINC000000655740 555524756 /nfs/dbraw/zinc/52/47/56/555524756.db2.gz GYGFIVNZAXKTAI-UHFFFAOYSA-N 0 0 438.505 3.866 50 0 IHAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000000670867 555531046 /nfs/dbraw/zinc/53/10/46/555531046.db2.gz OOPHCSLDNULLDE-UHFFFAOYSA-N 0 0 448.953 3.892 50 0 IHAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc(Br)cc1 ZINC000000671805 555531529 /nfs/dbraw/zinc/53/15/29/555531529.db2.gz FCOWOZOVMJFHAR-UHFFFAOYSA-N 0 0 425.304 3.560 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000000672158 555531828 /nfs/dbraw/zinc/53/18/28/555531828.db2.gz AVTDBRYWHUKKSR-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN O=C(COc1ccc2cc(Br)ccc2c1Br)N1CCOCC1 ZINC000000674817 555533672 /nfs/dbraw/zinc/53/36/72/555533672.db2.gz KBMBASSIYHYYFE-UHFFFAOYSA-N 0 0 429.108 3.602 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000000677187 555535432 /nfs/dbraw/zinc/53/54/32/555535432.db2.gz SAPJOCQDGPEISH-UHFFFAOYSA-N 0 0 441.347 3.543 50 0 IHAARN COC(=O)c1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c1 ZINC000000682076 555537700 /nfs/dbraw/zinc/53/77/00/555537700.db2.gz FNMUUHKBIAEURL-UHFFFAOYSA-N 0 0 440.525 3.528 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)CN(C)CC2 ZINC000000778719 555554500 /nfs/dbraw/zinc/55/45/00/555554500.db2.gz HBONRWRXLQKJNI-UHFFFAOYSA-N 0 0 430.555 3.520 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000817126 555563124 /nfs/dbraw/zinc/56/31/24/555563124.db2.gz HYLRRJIGGFASEM-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000000821312 555563908 /nfs/dbraw/zinc/56/39/08/555563908.db2.gz LEAHFCXIINRYEK-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN CCOc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000824077 555564520 /nfs/dbraw/zinc/56/45/20/555564520.db2.gz MRCLSJWPGYABII-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000828326 555565624 /nfs/dbraw/zinc/56/56/24/555565624.db2.gz ZFJNMJYUDWNQHS-CYBMUJFWSA-N 0 0 431.286 3.617 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000829743 555566058 /nfs/dbraw/zinc/56/60/58/555566058.db2.gz UAACSBSZRODFGA-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN Cc1cc(I)ccc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000000831402 555566441 /nfs/dbraw/zinc/56/64/41/555566441.db2.gz VAANKQNGDLYEQG-AWEZNQCLSA-N 0 0 430.286 3.938 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c(C)c1 ZINC000000829988 555566468 /nfs/dbraw/zinc/56/64/68/555566468.db2.gz RFZXCYHITRFYMH-MRXNPFEDSA-N 0 0 430.298 3.845 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000000834687 555566910 /nfs/dbraw/zinc/56/69/10/555566910.db2.gz RDOBUKWUIMDJJK-CQSZACIVSA-N 0 0 431.286 3.617 50 0 IHAARN O=S(=O)(c1ccc(SCCOc2cccc(Br)c2)nc1)N1CCCC1 ZINC000009462721 555574670 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O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Oc1ccccc1 ZINC000001149161 555655627 /nfs/dbraw/zinc/65/56/27/555655627.db2.gz JBAFALYGBYQKRW-UHFFFAOYSA-N 0 0 438.505 3.752 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000001150141 555655849 /nfs/dbraw/zinc/65/58/49/555655849.db2.gz IYPRJTKNYZXLOI-OAQYLSRUSA-N 0 0 449.304 3.951 50 0 IHAARN O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCc1ccc(Cl)cc1 ZINC000001165207 555663529 /nfs/dbraw/zinc/66/35/29/555663529.db2.gz NAZCMRQHLIOMKE-UHFFFAOYSA-N 0 0 448.862 3.614 50 0 IHAARN CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000001168348 555665310 /nfs/dbraw/zinc/66/53/10/555665310.db2.gz MJFSNBVEFYRPBX-CVEARBPZSA-N 0 0 435.705 3.960 50 0 IHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1Br ZINC000001172520 555667916 /nfs/dbraw/zinc/66/79/16/555667916.db2.gz ISWOOWLTCDADPY-UHFFFAOYSA-N 0 0 439.331 3.992 50 0 IHAARN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000001173698 555668469 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CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(I)c2)NC(=S)N1 ZINC000001202829 555679389 /nfs/dbraw/zinc/67/93/89/555679389.db2.gz QGGWJYWJFUVXSN-MRXNPFEDSA-N 0 0 449.317 3.723 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001202872 555679403 /nfs/dbraw/zinc/67/94/03/555679403.db2.gz QUGWISIDPHMWDG-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CC(=O)Oc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 ZINC000001210035 555681835 /nfs/dbraw/zinc/68/18/35/555681835.db2.gz HKXJKAJGMUVWGI-UHFFFAOYSA-N 0 0 426.384 3.581 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCCCC1 ZINC000001210912 555682220 /nfs/dbraw/zinc/68/22/20/555682220.db2.gz NJZLLLMTSANZTD-UHFFFAOYSA-N 0 0 433.508 3.764 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000001220608 555685704 /nfs/dbraw/zinc/68/57/04/555685704.db2.gz VXKAVRVLGKAMMU-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Br ZINC000001230651 555686625 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444.583 3.839 50 0 IHAARN O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1 ZINC000002131936 555746524 /nfs/dbraw/zinc/74/65/24/555746524.db2.gz NXYRMNBUIHSSHA-UHFFFAOYSA-N 0 0 428.488 3.683 50 0 IHAARN COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3ccc(Br)cc3)C2=O)c1 ZINC000002326662 555768919 /nfs/dbraw/zinc/76/89/19/555768919.db2.gz IZFRXQZPXKZHDE-HNNXBMFYSA-N 0 0 435.299 3.869 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)o1)CCC2 ZINC000002332793 555769533 /nfs/dbraw/zinc/76/95/33/555769533.db2.gz NIYHJKFNPHAIBV-UHFFFAOYSA-N 0 0 430.511 3.589 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000002418687 555777432 /nfs/dbraw/zinc/77/74/32/555777432.db2.gz GHYGWTPQHWSGBY-QVKFZJNVSA-N 0 0 439.439 3.674 50 0 IHAARN COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000002529436 555785786 /nfs/dbraw/zinc/78/57/86/555785786.db2.gz YAVTVXMLRMKJOJ-UHFFFAOYSA-N 0 0 446.415 3.647 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000002634639 555790535 /nfs/dbraw/zinc/79/05/35/555790535.db2.gz KGIHATQQNDUKSJ-IBGZPJMESA-N 0 0 446.981 3.834 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)N1CCN(C)CC1 ZINC000034668062 555792053 /nfs/dbraw/zinc/79/20/53/555792053.db2.gz MNHJKQKPEVCZET-UHFFFAOYSA-N 0 0 440.494 3.958 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000002694982 555799791 /nfs/dbraw/zinc/79/97/91/555799791.db2.gz FKVCNDWYCHESJD-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000002707036 555800825 /nfs/dbraw/zinc/80/08/25/555800825.db2.gz YKRSDAVFPMNPMP-LBPRGKRZSA-N 0 0 439.796 3.790 50 0 IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002730074 555803854 /nfs/dbraw/zinc/80/38/54/555803854.db2.gz RITBPPNUKFRUIG-LJQANCHMSA-N 0 0 445.972 3.738 50 0 IHAARN Cc1ccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2cccc(F)c2)cc1 ZINC000034692976 555805664 /nfs/dbraw/zinc/80/56/64/555805664.db2.gz SSMWAFPOBPBNTF-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN CCOC(=O)C1=C(NC(=O)C=Cc2ccc(OC)cc2OC)Nc2ccccc2N=C1C ZINC000034704935 555821644 /nfs/dbraw/zinc/82/16/44/555821644.db2.gz BKFINEZYZMXQBP-QBFSEMIESA-N 0 0 435.480 3.826 50 0 IHAARN CCc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000002813691 555828159 /nfs/dbraw/zinc/82/81/59/555828159.db2.gz UWKUHTGYXMWVJP-UHFFFAOYSA-N 0 0 426.991 3.577 50 0 IHAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(OC)c1 ZINC000002836577 555833189 /nfs/dbraw/zinc/83/31/89/555833189.db2.gz VITAVSITWGVVDH-UHFFFAOYSA-N 0 0 447.329 3.957 50 0 IHAARN Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCO2 ZINC000002846786 555837999 /nfs/dbraw/zinc/83/79/99/555837999.db2.gz QCVIRJQIFSJLLW-BJKOFHAPSA-N 0 0 431.444 3.984 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2nc(C)cc(C)n2)c(C(=O)OC)c1C ZINC000002857423 555842357 /nfs/dbraw/zinc/84/23/57/555842357.db2.gz GTAACCJCPBBVML-UHFFFAOYSA-N 0 0 435.575 3.541 50 0 IHAARN COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(I)cc1C ZINC000002862111 555845385 /nfs/dbraw/zinc/84/53/85/555845385.db2.gz FVUJTQWRTMSYBQ-UHFFFAOYSA-N 0 0 439.249 3.747 50 0 IHAARN CSc1nc(=NNC(=S)NC(=O)c2ccccc2)c2c3c(sc2[nH]1)CCCC3 ZINC000002865198 555846774 /nfs/dbraw/zinc/84/67/74/555846774.db2.gz UXSSOMQZSUUTTI-UHFFFAOYSA-N 0 0 429.596 3.923 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)cc1 ZINC000002870543 555849342 /nfs/dbraw/zinc/84/93/42/555849342.db2.gz JUSKRHFCLYTESN-UHFFFAOYSA-N 0 0 431.739 3.503 50 0 IHAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)COc3ccccc3)c2C(N)=O)C1 ZINC000002881062 555855241 /nfs/dbraw/zinc/85/52/41/555855241.db2.gz WZUQJHQIZOAPIZ-ZDUSSCGKSA-N 0 0 445.610 3.890 50 0 IHAARN Cc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000002883148 555856623 /nfs/dbraw/zinc/85/66/23/555856623.db2.gz IOLGOLFCDMSUEG-FQEVSTJZSA-N 0 0 428.598 3.939 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000002884784 555857518 /nfs/dbraw/zinc/85/75/18/555857518.db2.gz PQGORPWKEAKCGT-LJQANCHMSA-N 0 0 438.549 3.922 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 ZINC000010544934 555863465 /nfs/dbraw/zinc/86/34/65/555863465.db2.gz LTNYKVHNYZNRRM-AVRDEDQJSA-N 0 0 434.540 3.732 50 0 IHAARN Cc1ccc(CSCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000002986787 555874343 /nfs/dbraw/zinc/87/43/43/555874343.db2.gz CEAIAALDVKPTHQ-UHFFFAOYSA-N 0 0 434.627 3.934 50 0 IHAARN CCOC(=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)P(=O)(OCC)OCC ZINC000003103244 555887048 /nfs/dbraw/zinc/88/70/48/555887048.db2.gz CZVHWVYOCJZFLZ-HNNXBMFYSA-N 0 0 429.303 3.643 50 0 IHAARN CN(C)C(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003130740 555890177 /nfs/dbraw/zinc/89/01/77/555890177.db2.gz JSKJDSKKHPNBJZ-VIFPVBQESA-N 0 0 448.601 3.703 50 0 IHAARN Cc1cc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccccc2)CC3)ccc1F ZINC000034758487 555903146 /nfs/dbraw/zinc/90/31/46/555903146.db2.gz PUYBKGGFEYLZJX-UHFFFAOYSA-N 0 0 448.498 3.752 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034811594 555909425 /nfs/dbraw/zinc/90/94/25/555909425.db2.gz IAMWJZYDELSQRI-UHFFFAOYSA-N 0 0 447.297 3.915 50 0 IHAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000034787931 555915960 /nfs/dbraw/zinc/91/59/60/555915960.db2.gz ZYSMKYDZXMRUMF-DEOSSOPVSA-N 0 0 439.625 3.721 50 0 IHAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccs4)cc3C2=O)cc1 ZINC000003471441 555936179 /nfs/dbraw/zinc/93/61/79/555936179.db2.gz RTCZFZIDIDDWRC-UHFFFAOYSA-N 0 0 435.457 3.987 50 0 IHAARN CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000003659090 555944489 /nfs/dbraw/zinc/94/44/89/555944489.db2.gz FOQQTMAQENGEIC-LICLKQGHSA-N 0 0 444.871 3.778 50 0 IHAARN COc1ccccc1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670133 555945458 /nfs/dbraw/zinc/94/54/58/555945458.db2.gz AIHMUMURGVIVAF-HSZRJFAPSA-N 0 0 437.883 3.862 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c(OC)c1 ZINC000004017097 555952843 /nfs/dbraw/zinc/95/28/43/555952843.db2.gz LZTSGXQCEUKPEY-FQEVSTJZSA-N 0 0 428.510 3.667 50 0 IHAARN CCOc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(SCc4ccccc4F)nn32)cc1 ZINC000004176699 555973456 /nfs/dbraw/zinc/97/34/56/555973456.db2.gz CMINDLNKZMHIOO-LJQANCHMSA-N 0 0 439.516 3.882 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000010552375 555974661 /nfs/dbraw/zinc/97/46/61/555974661.db2.gz DCWCMFCASQVJCG-UHFFFAOYSA-N 0 0 441.578 3.643 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000004197109 555975730 /nfs/dbraw/zinc/97/57/30/555975730.db2.gz WVRCLDWKEJPKFN-QGZVFWFLSA-N 0 0 443.521 3.588 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004590943 556003561 /nfs/dbraw/zinc/00/35/61/556003561.db2.gz RBUCWWSWITZUDG-HJFDCUHHSA-N 0 0 425.525 3.629 50 0 IHAARN CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)CC1 ZINC000004821149 556013364 /nfs/dbraw/zinc/01/33/64/556013364.db2.gz MMVFCOWQAHWBHG-UHFFFAOYSA-N 0 0 428.982 3.588 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004977855 556025387 /nfs/dbraw/zinc/02/53/87/556025387.db2.gz RUGQHVBSJUAZKF-GPUVRGFBSA-N 0 0 430.614 3.871 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c1 ZINC000006237897 556081560 /nfs/dbraw/zinc/08/15/60/556081560.db2.gz MVWMWFCKIWZNRM-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3ccco3)n1)CCCC2 ZINC000006492036 556091761 /nfs/dbraw/zinc/09/17/61/556091761.db2.gz FLESOSVUQYPLNP-UHFFFAOYSA-N 0 0 432.527 3.913 50 0 IHAARN COc1ccccc1CN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002419253 556093444 /nfs/dbraw/zinc/09/34/44/556093444.db2.gz IFCXTEDHOXGCCG-UHFFFAOYSA-N 0 0 432.505 3.811 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(OC)c1OC ZINC000006558155 556094102 /nfs/dbraw/zinc/09/41/02/556094102.db2.gz NCJJFFZCIGDWIZ-OAHLLOKOSA-N 0 0 448.541 3.528 50 0 IHAARN CCOC(=O)c1cccc(OCc2c(Br)c(=O)n(-c3ccccc3)n2C)c1 ZINC000002549668 556104738 /nfs/dbraw/zinc/10/47/38/556104738.db2.gz GYDWQXYUEKYILN-UHFFFAOYSA-N 0 0 431.286 3.694 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c1 ZINC000002684307 556118669 /nfs/dbraw/zinc/11/86/69/556118669.db2.gz QNSGVGVMQDKRDB-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)c1 ZINC000002693368 556120905 /nfs/dbraw/zinc/12/09/05/556120905.db2.gz XFGGJBLBYVPMAG-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002710462 556125029 /nfs/dbraw/zinc/12/50/29/556125029.db2.gz XWXUWYZHBNBXIE-MRXNPFEDSA-N 0 0 436.744 3.904 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 ZINC000002711492 556125089 /nfs/dbraw/zinc/12/50/89/556125089.db2.gz FMVHJUZMFXDMIO-UHFFFAOYSA-N 0 0 441.372 3.751 50 0 IHAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc(C(F)(F)F)cc1)c2=O ZINC000002712239 556125435 /nfs/dbraw/zinc/12/54/35/556125435.db2.gz ULWDPBDHZPATNJ-UHFFFAOYSA-N 0 0 448.397 3.601 50 0 IHAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1cc(C)ccc1C ZINC000002724073 556127423 /nfs/dbraw/zinc/12/74/23/556127423.db2.gz LCGJXTJRHVRBLH-UHFFFAOYSA-N 0 0 438.553 3.778 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723410 556128505 /nfs/dbraw/zinc/12/85/05/556128505.db2.gz OHVFDHLKZYJZMT-UHFFFAOYSA-N 0 0 434.905 3.673 50 0 IHAARN CC(C)(C)[C@H](Cn1cccn1)NC(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000002786890 556138860 /nfs/dbraw/zinc/13/88/60/556138860.db2.gz RPIBTQGNFBCWEL-LBPRGKRZSA-N 0 0 444.324 3.888 50 0 IHAARN Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1Cl ZINC000002776953 556140813 /nfs/dbraw/zinc/14/08/13/556140813.db2.gz ONTJRBSRQITDKI-LBPRGKRZSA-N 0 0 447.992 3.997 50 0 IHAARN Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1Cl ZINC000002778627 556141072 /nfs/dbraw/zinc/14/10/72/556141072.db2.gz PSYANFNYUCRMOY-CYBMUJFWSA-N 0 0 447.992 3.846 50 0 IHAARN COc1cccc(OCc2ccc(C(=O)Nn3c(=O)c4ccccc4[nH]c3=S)cc2)c1 ZINC000002807868 556146331 /nfs/dbraw/zinc/14/63/31/556146331.db2.gz RCUAQDITCFWEDJ-UHFFFAOYSA-N 0 0 433.489 3.657 50 0 IHAARN Cc1ccc(Cn2cc(N3C(=S)N=NC3[C@@H](C)n3cc(Br)cn3)cn2)cc1 ZINC000002809654 556147326 /nfs/dbraw/zinc/14/73/26/556147326.db2.gz XDHVLGYHHVNITI-CYBMUJFWSA-N 0 0 444.362 3.678 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 ZINC000003008828 556154824 /nfs/dbraw/zinc/15/48/24/556154824.db2.gz PSQHKCCSFYPPLA-UHFFFAOYSA-N 0 0 445.928 3.994 50 0 IHAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1c(F)cccc1Cl ZINC000003008846 556154868 /nfs/dbraw/zinc/15/48/68/556154868.db2.gz PDMFKMQWHHHYTA-UHFFFAOYSA-N 0 0 440.283 3.999 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@@H]([C@@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C2)C1=O ZINC000008443402 556177996 /nfs/dbraw/zinc/17/79/96/556177996.db2.gz JQRMVDOOOSTCBW-ZBNTXBBCSA-N 0 0 442.515 3.955 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(C)c3c(C)n(-c4ccccc4)nc32)c1 ZINC000008594877 556189878 /nfs/dbraw/zinc/18/98/78/556189878.db2.gz PHSDQJNJYCWQER-UHFFFAOYSA-N 0 0 433.537 3.849 50 0 IHAARN CCOc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003071412 556196651 /nfs/dbraw/zinc/19/66/51/556196651.db2.gz UUOLMOVLAHXKAE-UHFFFAOYSA-N 0 0 438.549 3.640 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1 ZINC000008670921 556198156 /nfs/dbraw/zinc/19/81/56/556198156.db2.gz VMDLLGKOOSMPNK-QFIPXVFZSA-N 0 0 444.491 3.847 50 0 IHAARN O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008680819 556199291 /nfs/dbraw/zinc/19/92/91/556199291.db2.gz XBRZHHNKOHWQPI-UHFFFAOYSA-N 0 0 443.569 3.704 50 0 aggregator IHAARN CCOC(=O)CN1c2ccccc2CC[C@H](Sc2n[nH]c(-c3cccc(C)c3)n2)C1=O ZINC000008681099 556199294 /nfs/dbraw/zinc/19/92/94/556199294.db2.gz JRDAECDPTXTICE-IBGZPJMESA-N 0 0 436.537 3.783 50 0 IHAARN COc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccc(OC)cc2)cc1 ZINC000008721001 556202755 /nfs/dbraw/zinc/20/27/55/556202755.db2.gz UZHJFHNMCWMQMI-BKUYFWCQSA-N 0 0 446.459 3.842 50 0 IHAARN COc1ccc(C=C(NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000008742702 556207785 /nfs/dbraw/zinc/20/77/85/556207785.db2.gz MPINGERPXHJWCQ-CPNJWEJPSA-N 0 0 434.448 3.909 50 0 IHAARN CCn1c(CN(C)Cc2ccc(Cl)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008746489 556209607 /nfs/dbraw/zinc/20/96/07/556209607.db2.gz CCHBGEIDPRKRRW-UHFFFAOYSA-N 0 0 426.995 3.653 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008754181 556210631 /nfs/dbraw/zinc/21/06/31/556210631.db2.gz DQJHJGCPRXSTPI-UHFFFAOYSA-N 0 0 445.006 3.859 50 0 IHAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008767680 556212662 /nfs/dbraw/zinc/21/26/62/556212662.db2.gz SGXKYBLBOXPOPS-HSZRJFAPSA-N 0 0 446.507 3.665 50 0 IHAARN COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccco1 ZINC000009059331 556243482 /nfs/dbraw/zinc/24/34/82/556243482.db2.gz KJBPZUTYDRRMHS-UHFFFAOYSA-N 0 0 426.425 3.819 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009191020 556253499 /nfs/dbraw/zinc/25/34/99/556253499.db2.gz ZXAULXMKGWTYAN-HXUWFJFHSA-N 0 0 449.551 3.542 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197205 556255368 /nfs/dbraw/zinc/25/53/68/556255368.db2.gz SZOCQUQPMLFMIZ-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)c1 ZINC000009198218 556256230 /nfs/dbraw/zinc/25/62/30/556256230.db2.gz ZORGKJDRKZPTHD-HNNXBMFYSA-N 0 0 436.493 3.656 50 0 IHAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)CC1=O ZINC000009198089 556256256 /nfs/dbraw/zinc/25/62/56/556256256.db2.gz VKIAGUAIWAFWLO-QGZVFWFLSA-N 0 0 449.536 3.832 50 0 IHAARN CCOc1cc(-c2noc(CCCC(=O)N3CCCC3)n2)cc(Br)c1OC ZINC000009206584 556257697 /nfs/dbraw/zinc/25/76/97/556257697.db2.gz AZSJMMHHGZKFMX-UHFFFAOYSA-N 0 0 438.322 3.852 50 0 IHAARN COc1ccc(CCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009224861 556258655 /nfs/dbraw/zinc/25/86/55/556258655.db2.gz BHDWNDSXESJHLF-QGZVFWFLSA-N 0 0 436.537 3.947 50 0 IHAARN COc1cc(OC)c(N(C)C(=O)Cn2ncc3c4cc(C)ccc4[nH]c3c2=O)cc1Cl ZINC000009225906 556260088 /nfs/dbraw/zinc/26/00/88/556260088.db2.gz YYHPZBLULPBLEF-UHFFFAOYSA-N 0 0 440.887 3.520 50 0 IHAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)c1 ZINC000009238619 556265032 /nfs/dbraw/zinc/26/50/32/556265032.db2.gz RYPNDJFWVHOCEQ-ZWKOTPCHSA-N 0 0 445.932 3.655 50 0 IHAARN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O ZINC000009265248 556270668 /nfs/dbraw/zinc/27/06/68/556270668.db2.gz PKHVJAHALBZRCH-XSFVSMFZSA-N 0 0 432.455 3.710 50 0 IHAARN COc1ccc(NC2=N[C@H](c3cccc(Br)c3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009291109 556274014 /nfs/dbraw/zinc/27/40/14/556274014.db2.gz IYTXOBHLOHMXMO-SFHVURJKSA-N 0 0 440.301 3.763 50 0 IHAARN COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)c2=O)cc1 ZINC000013687761 556277405 /nfs/dbraw/zinc/27/74/05/556277405.db2.gz KQZYJTUQDXFFLT-KRWDZBQOSA-N 0 0 437.448 3.703 50 0 IHAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013687663 556277457 /nfs/dbraw/zinc/27/74/57/556277457.db2.gz MAEKDXIEJHVKDC-INIZCTEOSA-N 0 0 430.840 3.993 50 0 IHAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 ZINC000009410671 556288414 /nfs/dbraw/zinc/28/84/14/556288414.db2.gz TZBVTOJRWCGAKK-FUHWJXTLSA-N 0 0 448.449 3.569 50 0 IHAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3cccnc3)c2N1 ZINC000009411093 556288715 /nfs/dbraw/zinc/28/87/15/556288715.db2.gz FDISIYUGWSPMCE-FUHWJXTLSA-N 0 0 431.418 3.877 50 0 IHAARN COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCC(C)CC1)CC(C)(C)OC3 ZINC000009411118 556288741 /nfs/dbraw/zinc/28/87/41/556288741.db2.gz AGIHEVHWECDAPY-UHFFFAOYSA-N 0 0 445.585 3.913 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)[C@@H](C(=O)NCc1ccccc1)C2 ZINC000009482375 556293829 /nfs/dbraw/zinc/29/38/29/556293829.db2.gz TYFWEWXRNZDFBZ-JOCHJYFZSA-N 0 0 445.519 3.979 50 0 IHAARN Cn1c(CCCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)C(C)(C)C)ccc21 ZINC000013731914 556296123 /nfs/dbraw/zinc/29/61/23/556296123.db2.gz ATYLOAOKZMTHEY-UHFFFAOYSA-N 0 0 427.936 3.969 50 0 IHAARN COc1cc2c(c3oc(=O)c(CC(=O)N=c4[nH]c5ccccc5[nH]4)c(C)c13)CCC(C)(C)O2 ZINC000013732864 556296474 /nfs/dbraw/zinc/29/64/74/556296474.db2.gz LGZRPTOQXUAXLV-UHFFFAOYSA-N 0 0 447.491 3.693 50 0 IHAARN COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1Cl ZINC000013734498 556297179 /nfs/dbraw/zinc/29/71/79/556297179.db2.gz CIUHENHNRIGAGG-UHFFFAOYSA-N 0 0 427.888 3.802 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(Br)c(OC)c1OC ZINC000009559793 556298251 /nfs/dbraw/zinc/29/82/51/556298251.db2.gz CJIDGDANHKPZDU-SECBINFHSA-N 0 0 436.258 3.678 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000032740880 556302220 /nfs/dbraw/zinc/30/22/20/556302220.db2.gz VOLDOSOHAADHTP-QFIPXVFZSA-N 0 0 425.485 3.502 50 0 IHAARN O=C([C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 ZINC000032741585 556303123 /nfs/dbraw/zinc/30/31/23/556303123.db2.gz DCQCWQUVHHBPMK-IBGZPJMESA-N 0 0 445.928 3.994 50 0 IHAARN Cc1cccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000009663455 556304631 /nfs/dbraw/zinc/30/46/31/556304631.db2.gz HLGSTMPPZFTGGU-FQEVSTJZSA-N 0 0 428.492 3.879 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CCN2C(=O)CSc3ccccc32)c(OC)c1 ZINC000032744742 556304973 /nfs/dbraw/zinc/30/49/73/556304973.db2.gz NNGWWXCUGYXOCZ-GOSISDBHSA-N 0 0 426.538 3.896 50 0 IHAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCn1c(=O)oc2ccccc21 ZINC000032738194 556307439 /nfs/dbraw/zinc/30/74/39/556307439.db2.gz BMAHNKNEJPHPRC-UHFFFAOYSA-N 0 0 429.889 3.556 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)N1CCC(C)CC1)COC(C)(C)C2 ZINC000013800917 556310144 /nfs/dbraw/zinc/31/01/44/556310144.db2.gz DOZCPHNJDDMVFX-UHFFFAOYSA-N 0 0 436.574 3.753 50 0 IHAARN CCOc1ccc(OC(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 ZINC000032752777 556313884 /nfs/dbraw/zinc/31/38/84/556313884.db2.gz YBRKOFYYQJSJIH-UHFFFAOYSA-N 0 0 437.473 3.649 50 0 IHAARN CCC(=O)N(c1ccc(F)cc1)C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000009892298 556315264 /nfs/dbraw/zinc/31/52/64/556315264.db2.gz QMBDXVPLPVTGEK-OAQYLSRUSA-N 0 0 441.478 3.504 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCOC)cc1 ZINC000009934042 556317601 /nfs/dbraw/zinc/31/76/01/556317601.db2.gz SJZGBNGXUYVZAY-NRFANRHFSA-N 0 0 439.512 3.596 50 0 IHAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 ZINC000009934085 556317827 /nfs/dbraw/zinc/31/78/27/556317827.db2.gz MXENDMXHIPTTTB-NRFANRHFSA-N 0 0 432.455 3.895 50 0 IHAARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1 ZINC000009934711 556318226 /nfs/dbraw/zinc/31/82/26/556318226.db2.gz PXBWATPTSWXPGR-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@H]4C)CC3)CC2=O)cc1 ZINC000013844546 556318458 /nfs/dbraw/zinc/31/84/58/556318458.db2.gz AAPLBBOJDUSCMX-KNQAVFIVSA-N 0 0 445.563 3.564 50 0 IHAARN O=C(COc1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009972192 556319519 /nfs/dbraw/zinc/31/95/19/556319519.db2.gz ADKHEIJREXEDPY-INIZCTEOSA-N 0 0 428.337 3.588 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)Nc3nc(C)c(-c4nccn4C(F)F)s3)CC2=O)c1 ZINC000032760300 556320378 /nfs/dbraw/zinc/32/03/78/556320378.db2.gz MKECEDKGMFPBSQ-GFCCVEGCSA-N 0 0 447.467 3.710 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000013856518 556321114 /nfs/dbraw/zinc/32/11/14/556321114.db2.gz POIQZILOGSTIRI-HNNXBMFYSA-N 0 0 445.313 3.601 50 0 IHAARN CCCCn1c2nc(CN[C@H](C)c3ccc(F)cc3)n(CCC(C)C)c2c(=O)[nH]c1=O ZINC000032753392 556322545 /nfs/dbraw/zinc/32/25/45/556322545.db2.gz KDHTVAKSRZXMTM-MRXNPFEDSA-N 0 0 429.540 3.722 50 0 IHAARN O=c1oc2ccccc2n1CCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000032777063 556327565 /nfs/dbraw/zinc/32/75/65/556327565.db2.gz PLFSZLHRKKSENI-AWEZNQCLSA-N 0 0 428.539 3.886 50 0 IHAARN O=C(CCSc1nncn1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000032777173 556328184 /nfs/dbraw/zinc/32/81/84/556328184.db2.gz LRGITDYZCYFGIJ-UHFFFAOYSA-N 0 0 445.951 3.891 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1I ZINC000013896619 556329649 /nfs/dbraw/zinc/32/96/49/556329649.db2.gz RJFRPAULKNKJRW-UHFFFAOYSA-N 0 0 435.308 3.823 50 0 IHAARN C[C@H](C(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000011662308 556343875 /nfs/dbraw/zinc/34/38/75/556343875.db2.gz FRCBNEYUKWHEMQ-KRWDZBQOSA-N 0 0 446.507 3.831 50 0 IHAARN COc1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC ZINC000022925466 556348044 /nfs/dbraw/zinc/34/80/44/556348044.db2.gz HDNDPLZESNLWHH-INIZCTEOSA-N 0 0 426.492 3.772 50 0 IHAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000032784696 556350001 /nfs/dbraw/zinc/35/00/01/556350001.db2.gz MWMYBQLPDRRZHM-UHFFFAOYSA-N 0 0 439.475 3.575 50 0 IHAARN O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000011773362 556350557 /nfs/dbraw/zinc/35/05/57/556350557.db2.gz OKBMTNNNSNTSSH-DEOSSOPVSA-N 0 0 432.564 3.979 50 0 IHAARN COc1ccc(CSCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000032778709 556351840 /nfs/dbraw/zinc/35/18/40/556351840.db2.gz BUCWMFUAXLGHNW-UHFFFAOYSA-N 0 0 429.517 3.894 50 0 IHAARN O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000011784784 556352789 /nfs/dbraw/zinc/35/27/89/556352789.db2.gz HDRSAMGVLBMNFB-OFNKIYASSA-N 0 0 432.499 3.778 50 0 IHAARN CN(C[C@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011813589 556356776 /nfs/dbraw/zinc/35/67/76/556356776.db2.gz PFAAEQZZUGVWGH-HOYKHHGWSA-N 0 0 446.975 3.697 50 0 IHAARN COC(=O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000059928503 556358522 /nfs/dbraw/zinc/35/85/22/556358522.db2.gz WIZCCXNWSFYOGU-UHFFFAOYSA-N 0 0 442.781 3.709 50 0 IHAARN Cc1cccc([C@@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 ZINC000032796549 556361807 /nfs/dbraw/zinc/36/18/07/556361807.db2.gz KDKJWIOCOXCRQA-UXHICEINSA-N 0 0 445.947 3.947 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000014094792 556366486 /nfs/dbraw/zinc/36/64/86/556366486.db2.gz DHTYOHWEEDLCAH-IYBDPMFKSA-N 0 0 429.542 3.564 50 0 IHAARN Cn1cnnc1SCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011844135 556366987 /nfs/dbraw/zinc/36/69/87/556366987.db2.gz CXTYBASNYHJDSB-GOSISDBHSA-N 0 0 436.537 3.821 50 0 IHAARN CCOC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000011859201 556367866 /nfs/dbraw/zinc/36/78/66/556367866.db2.gz ZSZKOKPABFKBKF-ZWOKBUDYSA-N 0 0 438.402 3.605 50 0 IHAARN Cc1sc2nc(C)nc(N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C ZINC000032808488 556368851 /nfs/dbraw/zinc/36/88/51/556368851.db2.gz XJDPJSWBSWTAMG-UHFFFAOYSA-N 0 0 434.562 3.657 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCCn3c(C)csc3=O)cc2)cc1 ZINC000014140404 556376560 /nfs/dbraw/zinc/37/65/60/556376560.db2.gz PJADMGVISTZMNU-UHFFFAOYSA-N 0 0 425.510 3.898 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014161341 556378149 /nfs/dbraw/zinc/37/81/49/556378149.db2.gz RWXZPGHZFPLAGR-JOCHJYFZSA-N 0 0 431.540 3.834 50 0 IHAARN CCOc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1OCC ZINC000014160142 556378168 /nfs/dbraw/zinc/37/81/68/556378168.db2.gz TVRDMCHAEZFFQD-UHFFFAOYSA-N 0 0 446.485 3.876 50 0 IHAARN COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)C2(c4ccccc4)CC2)CC3)c1 ZINC000011965981 556381843 /nfs/dbraw/zinc/38/18/43/556381843.db2.gz RVSBAJRWXZMEOL-HSZRJFAPSA-N 0 0 432.564 3.714 50 0 IHAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)CCc2ccc4c(c2)OCO4)O3)n1 ZINC000011980425 556383562 /nfs/dbraw/zinc/38/35/62/556383562.db2.gz BOEIBIWJVZAGNF-HXUWFJFHSA-N 0 0 431.492 3.542 50 0 IHAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 ZINC000014183844 556383716 /nfs/dbraw/zinc/38/37/16/556383716.db2.gz WAJSDDKHFUUUKD-MHZLTWQESA-N 0 0 441.531 3.991 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000014185536 556385393 /nfs/dbraw/zinc/38/53/93/556385393.db2.gz BRDILISFXJESEJ-UHFFFAOYSA-N 0 0 428.485 3.702 50 0 IHAARN O=c1c2cc(Br)ccc2ncn1C[C@H](O)COc1cccc2ccccc21 ZINC000014186601 556386392 /nfs/dbraw/zinc/38/63/92/556386392.db2.gz YEOJFZMZNSLPBO-INIZCTEOSA-N 0 0 425.282 3.752 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]1c1nnc2ccccn21 ZINC000014189204 556387409 /nfs/dbraw/zinc/38/74/09/556387409.db2.gz MNNUPMFNEPCQMC-ZDUSSCGKSA-N 0 0 441.738 3.671 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CSc1cc(F)ccc1F ZINC000014198461 556389761 /nfs/dbraw/zinc/38/97/61/556389761.db2.gz YSWUJNUFRODEQC-UHFFFAOYSA-N 0 0 429.286 3.917 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(=O)NC(C)C)CC1=O ZINC000012062068 556395185 /nfs/dbraw/zinc/39/51/85/556395185.db2.gz FZZACNYMYZIESC-OAHLLOKOSA-N 0 0 440.931 3.743 50 0 IHAARN O=c1oc2cc(Cl)ccc2n1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014229704 556396675 /nfs/dbraw/zinc/39/66/75/556396675.db2.gz NOQMUSQSFHRLTJ-UHFFFAOYSA-N 0 0 426.826 3.832 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000014230203 556397075 /nfs/dbraw/zinc/39/70/75/556397075.db2.gz STABJOMBVGYWEJ-AREMUKBSSA-N 0 0 443.503 3.592 50 0 IHAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 ZINC000032810828 556397544 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CC[C@@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000032670048 556414208 /nfs/dbraw/zinc/41/42/08/556414208.db2.gz HTBGNLAMGRIYMD-SJORKVTESA-N 0 0 439.516 3.524 50 0 IHAARN COc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc(OC)c1Br ZINC000032830596 556417056 /nfs/dbraw/zinc/41/70/56/556417056.db2.gz IEGYELXHIHPTBC-CYBMUJFWSA-N 0 0 445.317 3.529 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000032665963 556417119 /nfs/dbraw/zinc/41/71/19/556417119.db2.gz BURKHSWRFZMVNN-FQEVSTJZSA-N 0 0 428.485 3.870 50 0 IHAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000229980221 556418453 /nfs/dbraw/zinc/41/84/53/556418453.db2.gz SLJZKUWMQWWDMC-UNWVZKJWSA-N 0 0 429.538 3.715 50 0 IHAARN CC(=O)c1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)cc1 ZINC000014531394 556420617 /nfs/dbraw/zinc/42/06/17/556420617.db2.gz LFDNTMGKZRRKMU-JOCHJYFZSA-N 0 0 440.515 3.554 50 0 IHAARN C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C[C@H](C)O1 ZINC000012978072 556422762 /nfs/dbraw/zinc/42/27/62/556422762.db2.gz CCOVKWRWRBMQSV-QWRGUYRKSA-N 0 0 428.327 3.906 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)O[C@@H](C)C2 ZINC000012978476 556423174 /nfs/dbraw/zinc/42/31/74/556423174.db2.gz YICQKHGXPIJVIL-AWEZNQCLSA-N 0 0 432.542 3.528 50 0 IHAARN CCn1c2ncc(NC[C@H]3CC=CCC3)cc2c(NC(=O)[C@H]2CCOC2)c1C(=O)OC ZINC000014536048 556423486 /nfs/dbraw/zinc/42/34/86/556423486.db2.gz SBBOUNBWORLWKS-HOTGVXAUSA-N 0 0 426.517 3.586 50 0 IHAARN Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)cs1 ZINC000014537276 556423896 /nfs/dbraw/zinc/42/38/96/556423896.db2.gz RMPAVBCZZNVJNL-HXUWFJFHSA-N 0 0 427.570 3.654 50 0 IHAARN CC(=O)c1ccccc1C(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014541286 556425513 /nfs/dbraw/zinc/42/55/13/556425513.db2.gz INULRRZGIKDMTR-OAQYLSRUSA-N 0 0 440.515 3.554 50 0 IHAARN Nc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2sccc21 ZINC000032841115 556426711 /nfs/dbraw/zinc/42/67/11/556426711.db2.gz 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COC(=O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000013000205 556432885 /nfs/dbraw/zinc/43/28/85/556432885.db2.gz JQOABVHCKFQKRB-UHFFFAOYSA-N 0 0 444.553 3.828 50 0 IHAARN O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000027797199 556433107 /nfs/dbraw/zinc/43/31/07/556433107.db2.gz KTUDXUYXZTVYAV-IBGZPJMESA-N 0 0 440.565 3.644 50 0 IHAARN Cc1ccc2nc(CSCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)cc(=O)n2c1 ZINC000032855754 556433192 /nfs/dbraw/zinc/43/31/92/556433192.db2.gz AIELPWGOLQXTDC-UHFFFAOYSA-N 0 0 439.932 3.601 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1cnc2ccsc2c1=O ZINC000032850503 556435475 /nfs/dbraw/zinc/43/54/75/556435475.db2.gz XAJBZNNRFGLVHL-UHFFFAOYSA-N 0 0 429.479 3.595 50 0 IHAARN O=c1[nH]c2c(s1)[C@H](c1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000013016622 556438360 /nfs/dbraw/zinc/43/83/60/556438360.db2.gz SSAHOWUXRDKWJH-IIAWOOMASA-N 0 0 444.921 3.591 50 0 IHAARN COCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)o1 ZINC000014743762 556439933 /nfs/dbraw/zinc/43/99/33/556439933.db2.gz WDGUERXPKUPBOY-QFIPXVFZSA-N 0 0 440.540 3.629 50 0 IHAARN O=C(OCc1c(Cl)cccc1Cl)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000013028294 556441266 /nfs/dbraw/zinc/44/12/66/556441266.db2.gz LQRHXVLASXBIBM-MRXNPFEDSA-N 0 0 439.320 3.650 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCCCCNS(C)(=O)=O)c2ccccc2)c1 ZINC000013037797 556443281 /nfs/dbraw/zinc/44/32/81/556443281.db2.gz XLMRKUPXKISFIZ-JOCHJYFZSA-N 0 0 446.569 3.636 50 0 IHAARN CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2cccc(F)c2)N(c2ccccc2)N1 ZINC000013038466 556444147 /nfs/dbraw/zinc/44/41/47/556444147.db2.gz BIJDFFJLLUNDSO-GOTSBHOMSA-N 0 0 440.478 3.945 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000013038332 556444156 /nfs/dbraw/zinc/44/41/56/556444156.db2.gz MUNBNCLOZOSURI-UHFFFAOYSA-N 0 0 440.569 3.504 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2ccccc2I)CC1 ZINC000028203618 556445505 /nfs/dbraw/zinc/44/55/05/556445505.db2.gz CSHJDVHXAPWXCL-UHFFFAOYSA-N 0 0 436.293 3.652 50 0 IHAARN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 ZINC000072272623 556445567 /nfs/dbraw/zinc/44/55/67/556445567.db2.gz NHVWSFYHGFRXGM-OAQYLSRUSA-N 0 0 434.496 3.937 50 0 IHAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1C ZINC000032859549 556445772 /nfs/dbraw/zinc/44/57/72/556445772.db2.gz RCQQBJFIHTXGEI-FPTDNZKUSA-N 0 0 431.920 3.616 50 0 IHAARN CCCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)c2ccccc12 ZINC000028251957 556447029 /nfs/dbraw/zinc/44/70/29/556447029.db2.gz IHVPHYKWQYOBQS-UHFFFAOYSA-N 0 0 434.558 3.872 50 0 IHAARN COc1ccc(OCc2noc(CN3CCN(Cc4c(F)cccc4Cl)CC3)n2)cc1 ZINC000032868793 556449534 /nfs/dbraw/zinc/44/95/34/556449534.db2.gz PBCARSMOKYYUBQ-UHFFFAOYSA-N 0 0 446.910 3.768 50 0 IHAARN C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000013061062 556450414 /nfs/dbraw/zinc/45/04/14/556450414.db2.gz OJKREUWTEIIUHK-CYBMUJFWSA-N 0 0 438.753 3.850 50 0 IHAARN O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013060699 556450468 /nfs/dbraw/zinc/45/04/68/556450468.db2.gz QNUOXWKWJYBXJW-UHFFFAOYSA-N 0 0 432.508 3.899 50 0 IHAARN C[C@@]1(C2CCN(Cc3cccc(F)c3F)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000014879686 556452862 /nfs/dbraw/zinc/45/28/62/556452862.db2.gz NBXCJOUDHJPYCS-VWLOTQADSA-N 0 0 439.506 3.655 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1C ZINC000013069370 556452892 /nfs/dbraw/zinc/45/28/92/556452892.db2.gz JZXVFWGRHKJCQD-INIZCTEOSA-N 0 0 449.573 3.522 50 0 IHAARN Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1NC(=O)c1ccco1 ZINC000032958301 556454365 /nfs/dbraw/zinc/45/43/65/556454365.db2.gz DPUKYEXFXKPJAQ-CQSZACIVSA-N 0 0 448.431 3.599 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Cl)c1OCC(=O)N(C)C ZINC000013096747 556457267 /nfs/dbraw/zinc/45/72/67/556457267.db2.gz WJXFCXRESQQILH-WQRHYEAKSA-N 0 0 442.899 3.859 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@@H]1C ZINC000013096978 556457704 /nfs/dbraw/zinc/45/77/04/556457704.db2.gz DRZAZUIDDDGNPV-HFAKWTLXSA-N 0 0 428.389 3.999 50 0 IHAARN Cc1nc(SCc2nnc(-c3ccc(Br)s3)o2)sc1CC(N)=O ZINC000032871383 556462811 /nfs/dbraw/zinc/46/28/11/556462811.db2.gz BAFIKLCOKREHGD-UHFFFAOYSA-N 0 0 431.362 3.646 50 0 IHAARN CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 ZINC000028908484 556463512 /nfs/dbraw/zinc/46/35/12/556463512.db2.gz UWKBFDCBTKRPJV-AEFFLSMTSA-N 0 0 427.570 3.650 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959158 556464399 /nfs/dbraw/zinc/46/43/99/556464399.db2.gz RZCFQBYECVAHOX-UHFFFAOYSA-N 0 0 431.423 3.832 50 0 IHAARN Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)n2n1 ZINC000032871563 556466071 /nfs/dbraw/zinc/46/60/71/556466071.db2.gz ZNVZAWKJCZSDFQ-ZDUSSCGKSA-N 0 0 446.536 3.830 50 0 IHAARN CC1(C)C[C@@H](NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CCO1 ZINC000014970552 556466852 /nfs/dbraw/zinc/46/68/52/556466852.db2.gz JJBDGDMTSYKAPE-IBGZPJMESA-N 0 0 443.551 3.993 50 0 IHAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000029085078 556467116 /nfs/dbraw/zinc/46/71/16/556467116.db2.gz XQQHFSHQEUAWFO-HSZRJFAPSA-N 0 0 446.528 3.912 50 0 IHAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc(OC)nc2OC)CC1 ZINC000014973794 556467786 /nfs/dbraw/zinc/46/77/86/556467786.db2.gz XFEDOTSMPGBAMR-UHFFFAOYSA-N 0 0 440.540 3.907 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1c3ccc(F)cc3C(=O)C1=O)CC2 ZINC000013115241 556467901 /nfs/dbraw/zinc/46/79/01/556467901.db2.gz NCRLFKLYTPIYDX-DEOSSOPVSA-N 0 0 446.478 3.977 50 0 IHAARN O=C1COc2ccc(S(=O)(=O)Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000029236743 556470670 /nfs/dbraw/zinc/47/06/70/556470670.db2.gz HEUPSSJUMVBWND-UHFFFAOYSA-N 0 0 441.305 3.823 50 0 IHAARN COc1ccc(NC(=O)c2nnc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)s2)cc1 ZINC000029257939 556470845 /nfs/dbraw/zinc/47/08/45/556470845.db2.gz VEAGHOPZXNIYOH-UHFFFAOYSA-N 0 0 444.822 3.681 50 0 IHAARN O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)CC3CCCC3)cc2)CC1 ZINC000014984531 556472057 /nfs/dbraw/zinc/47/20/57/556472057.db2.gz HYIOPMNWZRAEOW-XMMPIXPASA-N 0 0 441.616 3.691 50 0 IHAARN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000013120224 556472211 /nfs/dbraw/zinc/47/22/11/556472211.db2.gz BMMLBHLXIFZXID-INIZCTEOSA-N 0 0 426.567 3.649 50 0 IHAARN COC(=O)C[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000029334432 556472653 /nfs/dbraw/zinc/47/26/53/556472653.db2.gz XCWJPCQGHXBKKM-IBGZPJMESA-N 0 0 429.904 3.570 50 0 IHAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCn2c3ccccc3nc21 ZINC000029376129 556473574 /nfs/dbraw/zinc/47/35/74/556473574.db2.gz KRTQTFOBPMVGOP-UHFFFAOYSA-N 0 0 433.518 3.583 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 ZINC000013124663 556475093 /nfs/dbraw/zinc/47/50/93/556475093.db2.gz NVXPFZDIDLVPDC-BLLLJJGKSA-N 0 0 429.475 3.711 50 0 IHAARN CCCC[C@H](CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000029431400 556475335 /nfs/dbraw/zinc/47/53/35/556475335.db2.gz QNUHDEZCWVVUQJ-KRWDZBQOSA-N 0 0 436.622 3.572 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CC2)cc1 ZINC000013127000 556475358 /nfs/dbraw/zinc/47/53/58/556475358.db2.gz FYPWQWPDYCRFKA-UHFFFAOYSA-N 0 0 428.554 3.675 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(CN2CCCC2=O)c1 ZINC000029477250 556475985 /nfs/dbraw/zinc/47/59/85/556475985.db2.gz GOCPSFTVESIJCY-UHFFFAOYSA-N 0 0 435.505 3.956 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCc2ccccc21 ZINC000013129364 556479159 /nfs/dbraw/zinc/47/91/59/556479159.db2.gz ASPPJXGPGKDLLJ-QHCPKHFHSA-N 0 0 436.552 3.871 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)cc2s1 ZINC000029648930 556479440 /nfs/dbraw/zinc/47/94/40/556479440.db2.gz LDINLSAUXZVZOT-DOTOQJQBSA-N 0 0 447.582 3.939 50 0 IHAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000013129896 556479574 /nfs/dbraw/zinc/47/95/74/556479574.db2.gz HQVLXTNSXKLYKT-UHFFFAOYSA-N 0 0 443.543 3.947 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)cs2)cc1OC ZINC000013131312 556480483 /nfs/dbraw/zinc/48/04/83/556480483.db2.gz TXSNQTJMVXEIJY-SFHVURJKSA-N 0 0 437.521 3.881 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(-n2ccnc2)c1 ZINC000072287247 556480522 /nfs/dbraw/zinc/48/05/22/556480522.db2.gz SLVMJFYBNNTISA-UHFFFAOYSA-N 0 0 427.302 3.654 50 0 IHAARN CNC(=O)[C@H]1CN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2O1 ZINC000029767323 556481883 /nfs/dbraw/zinc/48/18/83/556481883.db2.gz NDZVLTKIRQMVDD-SECBINFHSA-N 0 0 435.094 3.849 50 0 IHAARN CC(C)n1nc(C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)c2ccccc2c1=O ZINC000013134274 556482379 /nfs/dbraw/zinc/48/23/79/556482379.db2.gz FSPCUDPNXHWIOT-UHFFFAOYSA-N 0 0 446.488 3.557 50 0 IHAARN O=C([C@H]1CC(=O)c2ccccc21)N1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000015008999 556482956 /nfs/dbraw/zinc/48/29/56/556482956.db2.gz DSIXIIUANROHAJ-IBGZPJMESA-N 0 0 430.426 3.637 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000011060929 556483221 /nfs/dbraw/zinc/48/32/21/556483221.db2.gz XXCPJMWLORYTFJ-UHFFFAOYSA-N 0 0 446.960 3.756 50 0 IHAARN O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCN(Cc2ccccc2)CC1 ZINC000029893130 556485855 /nfs/dbraw/zinc/48/58/55/556485855.db2.gz CNYMBUIERRZNJE-UHFFFAOYSA-N 0 0 426.520 3.871 50 0 IHAARN C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1Cl ZINC000013141021 556485957 /nfs/dbraw/zinc/48/59/57/556485957.db2.gz HQQNXCVUPWFJDA-URNNUDQISA-N 0 0 436.911 3.682 50 0 IHAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000029962670 556487613 /nfs/dbraw/zinc/48/76/13/556487613.db2.gz RCIMJMYXNVPFON-OAQYLSRUSA-N 0 0 447.608 3.766 50 0 IHAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc(C3CC3)nc21 ZINC000029962356 556487631 /nfs/dbraw/zinc/48/76/31/556487631.db2.gz WQIGEYJHIVLGLL-UHFFFAOYSA-N 0 0 447.539 3.615 50 0 IHAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc(Cl)cc3)cc(C(C)C)nc21 ZINC000029982170 556487858 /nfs/dbraw/zinc/48/78/58/556487858.db2.gz ZGHFIPJJWVNBCO-UHFFFAOYSA-N 0 0 428.920 3.544 50 0 IHAARN CCOC(=O)Cc1nnc(SCc2nc(-c3ccc(F)cc3)no2)n1Cc1ccco1 ZINC000029987548 556488218 /nfs/dbraw/zinc/48/82/18/556488218.db2.gz TUAHSDAOMMTWNF-UHFFFAOYSA-N 0 0 443.460 3.506 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)c1 ZINC000029984990 556488260 /nfs/dbraw/zinc/48/82/60/556488260.db2.gz JLAUFQDFDVNEAF-UHFFFAOYSA-N 0 0 435.524 3.554 50 0 IHAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl ZINC000032876521 556488822 /nfs/dbraw/zinc/48/88/22/556488822.db2.gz HECDORMXLLVLBH-UHFFFAOYSA-N 0 0 436.924 3.843 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000013149133 556490692 /nfs/dbraw/zinc/49/06/92/556490692.db2.gz KBTDLTYGLYHOAU-ZDUSSCGKSA-N 0 0 448.306 3.975 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O ZINC000013149107 556490774 /nfs/dbraw/zinc/49/07/74/556490774.db2.gz GPMOLHSRDIWQTK-QHCPKHFHSA-N 0 0 436.537 3.981 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013163538 556494072 /nfs/dbraw/zinc/49/40/72/556494072.db2.gz UDVHVRLGECUYIL-UHFFFAOYSA-N 0 0 441.578 3.991 50 0 IHAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2cccc3cnccc32)C[C@H](C)O1 ZINC000015068251 556494210 /nfs/dbraw/zinc/49/42/10/556494210.db2.gz ZZVYYBLZPMWENI-CALCHBBNSA-N 0 0 449.580 3.825 50 0 IHAARN C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000030477866 556495122 /nfs/dbraw/zinc/49/51/22/556495122.db2.gz PRJUWNUTECUHJX-ZDUSSCGKSA-N 0 0 446.516 3.971 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 ZINC000013164329 556496047 /nfs/dbraw/zinc/49/60/47/556496047.db2.gz QXZFWCRMQQTOCS-GFCCVEGCSA-N 0 0 446.529 3.988 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cs2)cc1 ZINC000030568411 556498089 /nfs/dbraw/zinc/49/80/89/556498089.db2.gz PXTXOUIPIJPXNL-UHFFFAOYSA-N 0 0 437.521 3.505 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000030618304 556500164 /nfs/dbraw/zinc/50/01/64/556500164.db2.gz LFBVYBRIIKBTCZ-SFHVURJKSA-N 0 0 433.512 3.755 50 0 IHAARN CCN(c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1)C(C)C ZINC000030637824 556500661 /nfs/dbraw/zinc/50/06/61/556500661.db2.gz LRLOQLDLUGCFOR-UHFFFAOYSA-N 0 0 445.585 3.503 50 0 IHAARN COCCN(C(=O)c1ccc(F)cc1F)[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000072292795 556502407 /nfs/dbraw/zinc/50/24/07/556502407.db2.gz LAWHOQDWOIAKLT-QGZVFWFLSA-N 0 0 442.256 3.730 50 0 IHAARN COC(=O)c1oc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000030738007 556502621 /nfs/dbraw/zinc/50/26/21/556502621.db2.gz WWNFEFHCHFWSTP-UHFFFAOYSA-N 0 0 426.391 3.748 50 0 IHAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000013424054 556505562 /nfs/dbraw/zinc/50/55/62/556505562.db2.gz MKJPSPWANYVPCA-DHDCSXOGSA-N 0 0 438.914 3.563 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011071148 556507522 /nfs/dbraw/zinc/50/75/22/556507522.db2.gz KEGBXCHDKWXVDT-KBPBESRZSA-N 0 0 446.910 3.502 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N(c1nccs1)C1CCCCC1 ZINC000032882927 556509272 /nfs/dbraw/zinc/50/92/72/556509272.db2.gz IPSAUBMMXVDQPH-CQSZACIVSA-N 0 0 427.526 3.939 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000032885732 556510260 /nfs/dbraw/zinc/51/02/60/556510260.db2.gz WYNCMDMYSQWLMY-UHFFFAOYSA-N 0 0 449.598 3.654 50 0 IHAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000032718825 556517868 /nfs/dbraw/zinc/51/78/68/556517868.db2.gz XZJSHFHCGINFDL-IBGZPJMESA-N 0 0 440.590 3.974 50 0 IHAARN CC(=O)Nc1cccc(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 ZINC000003091962 556520058 /nfs/dbraw/zinc/52/00/58/556520058.db2.gz MHAOITVLCAZYAP-AWEZNQCLSA-N 0 0 439.796 3.790 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000013567044 556520678 /nfs/dbraw/zinc/52/06/78/556520678.db2.gz HRPLWLFZJVNXMG-UHFFFAOYSA-N 0 0 428.514 3.603 50 0 IHAARN Cc1cc(Br)ccc1NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000015332793 556521802 /nfs/dbraw/zinc/52/18/02/556521802.db2.gz CWBHHZMVBKESIA-QGZVFWFLSA-N 0 0 443.407 3.518 50 0 IHAARN CC(C)(C)OC(=O)N[C@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000072297671 556522824 /nfs/dbraw/zinc/52/28/24/556522824.db2.gz ZJHMHYQIZSGALD-OAQYLSRUSA-N 0 0 437.540 3.738 50 0 IHAARN O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000013572307 556522875 /nfs/dbraw/zinc/52/28/75/556522875.db2.gz AKRRPROOXZJYCV-OCKHKDLRSA-N 0 0 441.459 3.841 50 0 IHAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(O)c1 ZINC000013573687 556524094 /nfs/dbraw/zinc/52/40/94/556524094.db2.gz ZUZPDZMMJDWLFM-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000015412537 556525152 /nfs/dbraw/zinc/52/51/52/556525152.db2.gz FMHOHHVACFICBH-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 IHAARN COc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c(OC)cc1Br ZINC000031904016 556527746 /nfs/dbraw/zinc/52/77/46/556527746.db2.gz LKVTVEQMHSSNIU-UHFFFAOYSA-N 0 0 425.304 3.670 50 0 IHAARN CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2c1 ZINC000032900447 556529148 /nfs/dbraw/zinc/52/91/48/556529148.db2.gz BDIMDPJDYCFHAC-HNNXBMFYSA-N 0 0 440.500 3.885 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000011082692 556529993 /nfs/dbraw/zinc/52/99/93/556529993.db2.gz YDNRGEIXDAKSAO-UHFFFAOYSA-N 0 0 427.430 3.959 50 0 IHAARN Cc1cc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)nn1C ZINC000013593167 556531010 /nfs/dbraw/zinc/53/10/10/556531010.db2.gz SSHIAQYDIQOIFJ-UHFFFAOYSA-N 0 0 428.968 3.726 50 0 IHAARN COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)cs2)cc1 ZINC000015513194 556532359 /nfs/dbraw/zinc/53/23/59/556532359.db2.gz LTXMGISDUHQCGS-JOCHJYFZSA-N 0 0 437.477 3.515 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccccc1OC ZINC000013607333 556533272 /nfs/dbraw/zinc/53/32/72/556533272.db2.gz OUKLQTPHCFAIQR-IBGZPJMESA-N 0 0 437.525 3.945 50 0 IHAARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1 ZINC000013607800 556533597 /nfs/dbraw/zinc/53/35/97/556533597.db2.gz GMYAYVXAEFEXDN-LJQANCHMSA-N 0 0 437.525 3.945 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032901528 556536747 /nfs/dbraw/zinc/53/67/47/556536747.db2.gz CBKATYDWOHSNHF-JKSBSHDWSA-N 0 0 446.544 3.601 50 0 IHAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000013627466 556537701 /nfs/dbraw/zinc/53/77/01/556537701.db2.gz QCQZDWILBXABDO-KXVHNFKESA-N 0 0 444.462 3.930 50 0 IHAARN O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641438 556542650 /nfs/dbraw/zinc/54/26/50/556542650.db2.gz XYLYVXBOLKUEQZ-UHFFFAOYSA-N 0 0 432.480 3.602 50 0 IHAARN COc1ccc(-c2nc3n(c2C(=O)Nc2cccc4ccccc42)CCS3(=O)=O)cc1 ZINC000015671455 556542681 /nfs/dbraw/zinc/54/26/81/556542681.db2.gz KBUZTXKMVKVYHW-UHFFFAOYSA-N 0 0 433.489 3.752 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([C@@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000015684453 556543055 /nfs/dbraw/zinc/54/30/55/556543055.db2.gz HIQQVVDOGSFVSV-ZCXBTPBDSA-N 0 0 425.484 3.627 50 0 IHAARN O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904392 556543904 /nfs/dbraw/zinc/54/39/04/556543904.db2.gz HSIHKEKQQIPFKZ-GOSISDBHSA-N 0 0 447.926 3.613 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCCc4ccccc43)C2)s1 ZINC000032903924 556545612 /nfs/dbraw/zinc/54/56/12/556545612.db2.gz BBHCYZCFJYEUFN-ICSRJNTNSA-N 0 0 432.611 3.993 50 0 IHAARN CCOC(=O)C1=C(CSc2nncn2-c2ccccc2C)NC(=O)N[C@H]1c1ccccc1 ZINC000032721658 556547276 /nfs/dbraw/zinc/54/72/76/556547276.db2.gz XABMOZFHTMFBAH-FQEVSTJZSA-N 0 0 449.536 3.539 50 0 IHAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000032722077 556547743 /nfs/dbraw/zinc/54/77/43/556547743.db2.gz RYYYFYGBHLQHMI-UHFFFAOYSA-N 0 0 431.876 3.800 50 0 IHAARN O=C(NC[C@@](O)(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072304399 556548444 /nfs/dbraw/zinc/54/84/44/556548444.db2.gz GRXUOEIEIJOEPL-LVXARBLLSA-N 0 0 448.588 3.847 50 0 IHAARN CC(C)(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000032905461 556548849 /nfs/dbraw/zinc/54/88/49/556548849.db2.gz IFDNOHPRAZXBFZ-UHFFFAOYSA-N 0 0 445.357 3.521 50 0 IHAARN Cc1ccc(-c2noc3ncn(CCC(=O)N[C@H]4CCCc5ccccc54)c(=O)c32)cc1 ZINC000032933667 556549551 /nfs/dbraw/zinc/54/95/51/556549551.db2.gz NCYRGBSXNCJFAA-FQEVSTJZSA-N 0 0 428.492 3.944 50 0 IHAARN CCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 ZINC000032906092 556551751 /nfs/dbraw/zinc/55/17/51/556551751.db2.gz GJUKZQDMXXQUMQ-UHFFFAOYSA-N 0 0 426.498 3.628 50 0 IHAARN Cc1cc(NC(=O)COc2ccc(C3=CCN(C(N)=O)CC3)cc2)ccc1Br ZINC000011092349 556553412 /nfs/dbraw/zinc/55/34/12/556553412.db2.gz VALCTRKDSVUWGG-UHFFFAOYSA-N 0 0 444.329 3.943 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)Nc2nccs2)c2ccccc2)c(C)c1 ZINC000072306110 556556805 /nfs/dbraw/zinc/55/68/05/556556805.db2.gz ZGFKVFYGDUXGGO-QGZVFWFLSA-N 0 0 430.555 3.601 50 0 IHAARN CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1Cl ZINC000015859656 556558301 /nfs/dbraw/zinc/55/83/01/556558301.db2.gz FHSPDNYJZIMYKU-GOSISDBHSA-N 0 0 427.888 3.799 50 0 IHAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)Nc3ccc(F)cc3)nn12 ZINC000033274421 556558440 /nfs/dbraw/zinc/55/84/40/556558440.db2.gz KBQZJLKAXPEETJ-UHFFFAOYSA-N 0 0 445.429 3.931 50 0 IHAARN CCCCN1c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2S(=O)(=O)N=C1C ZINC000015867642 556559314 /nfs/dbraw/zinc/55/93/14/556559314.db2.gz GYSIUHOJSUYNFT-UHFFFAOYSA-N 0 0 431.514 3.683 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c1 ZINC000033290506 556559711 /nfs/dbraw/zinc/55/97/11/556559711.db2.gz BJCSJRDDRAIINV-INIZCTEOSA-N 0 0 446.507 3.926 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000071285631 556560396 /nfs/dbraw/zinc/56/03/96/556560396.db2.gz PLOXZIVQHPSCKY-UHFFFAOYSA-N 0 0 449.935 3.863 50 0 IHAARN COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1Cl ZINC000072306874 556560503 /nfs/dbraw/zinc/56/05/03/556560503.db2.gz WEUZDHBIJAGCRJ-UHFFFAOYSA-N 0 0 437.823 3.946 50 0 IHAARN O=C(NCC[S@](=O)Cc1ccccc1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306972 556560788 /nfs/dbraw/zinc/56/07/88/556560788.db2.gz GCWZZKRFZXRRFB-NFQMXDRXSA-N 0 0 449.414 3.651 50 0 IHAARN Cc1csc(=O)n1CC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000032907130 556561539 /nfs/dbraw/zinc/56/15/39/556561539.db2.gz CETCSPVTBLMANE-UHFFFAOYSA-N 0 0 429.445 3.803 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)CN(CCc1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1 ZINC000072308367 556566274 /nfs/dbraw/zinc/56/62/74/556566274.db2.gz CTRZONQIQTUTDI-LJQANCHMSA-N 0 0 449.526 3.574 50 0 IHAARN Cc1nnc(-c2ccc(NC(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)cc2)o1 ZINC000072309736 556572697 /nfs/dbraw/zinc/57/26/97/556572697.db2.gz WVVHICGCBQJYQN-INIZCTEOSA-N 0 0 436.390 3.625 50 0 IHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009668 556573691 /nfs/dbraw/zinc/57/36/91/556573691.db2.gz PCWOXOBCPQLRCR-WKGYELDXSA-N 0 0 449.938 3.696 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000016021237 556575024 /nfs/dbraw/zinc/57/50/24/556575024.db2.gz GLRBRGKHYINNPQ-HZNUMKHLSA-N 0 0 443.613 3.578 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)n1cnnc1SCc1cccc2ccccc21 ZINC000022033795 556577827 /nfs/dbraw/zinc/57/78/27/556577827.db2.gz BAFRDSVFSCPQKH-UHFFFAOYSA-N 0 0 428.473 3.660 50 0 IHAARN CSC[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000016045474 556579638 /nfs/dbraw/zinc/57/96/38/556579638.db2.gz LTPAMGYEPGYYNG-LZWOXQAQSA-N 0 0 429.369 3.516 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000016046881 556580306 /nfs/dbraw/zinc/58/03/06/556580306.db2.gz RUEGGWOHIXHIPL-LJQANCHMSA-N 0 0 434.569 3.933 50 0 IHAARN COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2cccs2)cc1 ZINC000016047150 556580638 /nfs/dbraw/zinc/58/06/38/556580638.db2.gz COULZPOMZGHNPV-UHFFFAOYSA-N 0 0 442.562 3.931 50 0 IHAARN O=S(=O)(c1ccc2oc(SCc3cn4ccccc4n3)nc2c1)N1CCCCC1 ZINC000032911164 556582155 /nfs/dbraw/zinc/58/21/55/556582155.db2.gz JAZCVVXGJMXRPO-UHFFFAOYSA-N 0 0 428.539 3.942 50 0 IHAARN COCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 ZINC000032911089 556582221 /nfs/dbraw/zinc/58/22/21/556582221.db2.gz BMRWBGXDWUYFFJ-MRXNPFEDSA-N 0 0 445.589 3.539 50 0 IHAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)s1 ZINC000016097371 556582679 /nfs/dbraw/zinc/58/26/79/556582679.db2.gz VEVWJHBTESFJKK-STQMWFEESA-N 0 0 440.616 3.569 50 0 IHAARN COc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000011102707 556584072 /nfs/dbraw/zinc/58/40/72/556584072.db2.gz CAWVUPPENDUAQZ-UHFFFAOYSA-N 0 0 425.510 3.571 50 0 IHAARN O=S(=O)(Nc1cccc(I)c1)c1ccc(Br)cc1 ZINC000016130779 556584877 /nfs/dbraw/zinc/58/48/77/556584877.db2.gz OIRBSIRQPPTSOU-UHFFFAOYSA-N 0 0 438.084 3.855 50 0 IHAARN Cn1cnnc1[C@@H]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=S)C1 ZINC000032911759 556585055 /nfs/dbraw/zinc/58/50/55/556585055.db2.gz ZWOLOMLKPBPLBT-QGZVFWFLSA-N 0 0 425.606 3.881 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1cn2cc(Cl)ccc2n1 ZINC000016156750 556586106 /nfs/dbraw/zinc/58/61/06/556586106.db2.gz LZNDCWDWXXNCTK-UHFFFAOYSA-N 0 0 442.928 3.771 50 0 IHAARN C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000071328812 556586783 /nfs/dbraw/zinc/58/67/83/556586783.db2.gz YRFOABQIWQSPHW-OAHLLOKOSA-N 0 0 425.920 3.680 50 0 IHAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)C(C)(C)C)no2)cc(OC)c1OC ZINC000034922294 556586887 /nfs/dbraw/zinc/58/68/87/556586887.db2.gz ZDMVMQZISGAVLA-KRWDZBQOSA-N 0 0 432.517 3.921 50 0 IHAARN CN(c1cccc(NC(=O)CSCc2ccccc2Br)c1)S(C)(=O)=O ZINC000016188753 556588498 /nfs/dbraw/zinc/58/84/98/556588498.db2.gz YIQWCVPWSDFDEP-UHFFFAOYSA-N 0 0 443.388 3.717 50 0 IHAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000032970956 556589104 /nfs/dbraw/zinc/58/91/04/556589104.db2.gz PKSFQCIPERBGFZ-FDDCHVKYSA-N 0 0 434.540 3.903 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cn2)n1 ZINC000032912301 556590980 /nfs/dbraw/zinc/59/09/80/556590980.db2.gz ZUBFYENOCLSNGV-KNEUKCCGSA-N 0 0 436.556 3.762 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCN(C)C(=O)OC(C)(C)C ZINC000032913572 556594256 /nfs/dbraw/zinc/59/42/56/556594256.db2.gz GKVBWZCUQZQGLC-UHFFFAOYSA-N 0 0 439.560 3.805 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)C1 ZINC000100861234 556598098 /nfs/dbraw/zinc/59/80/98/556598098.db2.gz NJVMRSDZOGICRK-ZMCBVEOSSA-N 0 0 447.557 3.541 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)NC(C)(C)C ZINC000032983407 556602039 /nfs/dbraw/zinc/60/20/39/556602039.db2.gz CRGXJLCJUPIELT-LBPRGKRZSA-N 0 0 426.485 3.541 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1Cl ZINC000016361237 556602258 /nfs/dbraw/zinc/60/22/58/556602258.db2.gz ILKYZGIVHAWJKD-UHFFFAOYSA-N 0 0 430.313 3.658 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000016363020 556603152 /nfs/dbraw/zinc/60/31/52/556603152.db2.gz PZJOHNPDCMAISY-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nncn3CCc3cccs3)ccc21 ZINC000011107541 556604831 /nfs/dbraw/zinc/60/48/31/556604831.db2.gz JLUFMYZKKDSSHH-CQSZACIVSA-N 0 0 426.567 3.855 50 0 IHAARN CC(C)[C@@H](NC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032987674 556608047 /nfs/dbraw/zinc/60/80/47/556608047.db2.gz UNGAKOPFMJDSPE-GOSISDBHSA-N 0 0 430.555 3.882 50 0 IHAARN Cc1cc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 ZINC000016454142 556609662 /nfs/dbraw/zinc/60/96/62/556609662.db2.gz WMONFOXBJJQIAA-MRXNPFEDSA-N 0 0 448.614 3.812 50 0 IHAARN COc1ccc([C@H](NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 ZINC000016476414 556610634 /nfs/dbraw/zinc/61/06/34/556610634.db2.gz LSNUDLYTTLOCRL-VWNXMTODSA-N 0 0 430.508 3.599 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC000016476367 556610727 /nfs/dbraw/zinc/61/07/27/556610727.db2.gz SFHHARBCHLQVSG-HXUWFJFHSA-N 0 0 443.931 3.886 50 0 IHAARN CCOc1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)cc1 ZINC000032995988 556611658 /nfs/dbraw/zinc/61/16/58/556611658.db2.gz NWBHJHZMRFOTEV-UHFFFAOYSA-N 0 0 435.509 3.847 50 0 IHAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1)c1ccco1 ZINC000032915922 556613212 /nfs/dbraw/zinc/61/32/12/556613212.db2.gz GUHLAVVNWQGQSJ-UHFFFAOYSA-N 0 0 425.466 3.608 50 0 IHAARN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000060300566 556628467 /nfs/dbraw/zinc/62/84/67/556628467.db2.gz SOHOEYRJMANZGM-UHFFFAOYSA-N 0 0 439.693 3.584 50 0 IHAARN Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1C ZINC000005087753 556631823 /nfs/dbraw/zinc/63/18/23/556631823.db2.gz NLAKHXIEXNUFGH-SFHVURJKSA-N 0 0 426.948 3.594 50 0 IHAARN COc1ccc(CNc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1 ZINC000040287202 556634699 /nfs/dbraw/zinc/63/46/99/556634699.db2.gz PKICDPITCPOWPS-UHFFFAOYSA-N 0 0 426.517 3.865 50 0 IHAARN CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 ZINC000016742069 556635738 /nfs/dbraw/zinc/63/57/38/556635738.db2.gz QVAXQMHTTGOUOW-RUAJRXAUSA-N 0 0 449.532 3.780 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000016789738 556642509 /nfs/dbraw/zinc/64/25/09/556642509.db2.gz WUOXUMCZTWXYRA-BHTYKIPZSA-N 0 0 444.556 3.772 50 0 IHAARN COc1ccc(-c2cc3c(SCC(=O)NCc4ccccc4OC)nccn3n2)cc1 ZINC000016841151 556645817 /nfs/dbraw/zinc/64/58/17/556645817.db2.gz XRGAIDKFGKVHHR-UHFFFAOYSA-N 0 0 434.521 3.822 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3OC)cc12 ZINC000016842089 556646341 /nfs/dbraw/zinc/64/63/41/556646341.db2.gz CRPCEEZJYHWERG-UHFFFAOYSA-N 0 0 448.504 3.922 50 0 IHAARN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(c1=O)S[C@H](C)C2 ZINC000011726546 556647411 /nfs/dbraw/zinc/64/74/11/556647411.db2.gz AOERWNGFAGFPGO-OAHLLOKOSA-N 0 0 433.599 3.582 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccccc3F)c4=O)n2)c1 ZINC000038487722 556649843 /nfs/dbraw/zinc/64/98/43/556649843.db2.gz PENNIVDMWOFTGU-UHFFFAOYSA-N 0 0 428.423 3.903 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000016977495 556652068 /nfs/dbraw/zinc/65/20/68/556652068.db2.gz XLPYNFUFTWNKMA-VAWYXSNFSA-N 0 0 426.523 3.929 50 0 IHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O ZINC000033000233 556653770 /nfs/dbraw/zinc/65/37/70/556653770.db2.gz DXJVCIZGXKNABZ-HSZRJFAPSA-N 0 0 440.931 3.736 50 0 IHAARN Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1Cl ZINC000011760341 556653913 /nfs/dbraw/zinc/65/39/13/556653913.db2.gz APGSWSJWYULMFZ-AWEZNQCLSA-N 0 0 429.373 3.893 50 0 IHAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)c3)csc2n1 ZINC000011769707 556654174 /nfs/dbraw/zinc/65/41/74/556654174.db2.gz SALDIKRHPZVHST-CQSZACIVSA-N 0 0 449.488 3.866 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 ZINC000011771583 556654745 /nfs/dbraw/zinc/65/47/45/556654745.db2.gz ZPYFJIVIFWACNK-UHFFFAOYSA-N 0 0 436.493 3.635 50 0 IHAARN COc1ccc(OC)c(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)c1 ZINC000011794307 556656326 /nfs/dbraw/zinc/65/63/26/556656326.db2.gz NMJLXECYVKXMKY-UHFFFAOYSA-N 0 0 442.497 3.850 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCCc1cccs1 ZINC000033011571 556659639 /nfs/dbraw/zinc/65/96/39/556659639.db2.gz RXHKYDSZODQUAG-UHFFFAOYSA-N 0 0 438.987 3.956 50 0 IHAARN CCn1nccc1-c1cc(C(=O)OC)n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 ZINC000013645707 556660111 /nfs/dbraw/zinc/66/01/11/556660111.db2.gz IIJGFVDXBJVNDD-UHFFFAOYSA-N 0 0 430.390 3.844 50 0 IHAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)N1 ZINC000017101047 556665960 /nfs/dbraw/zinc/66/59/60/556665960.db2.gz OMTONJUTHRXOOE-HNNXBMFYSA-N 0 0 437.205 3.699 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000011867065 556667163 /nfs/dbraw/zinc/66/71/63/556667163.db2.gz GLMODHLCNVGQDF-AFMDSPMNSA-N 0 0 433.504 3.992 50 0 biogenic IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000017134400 556669119 /nfs/dbraw/zinc/66/91/19/556669119.db2.gz JDVVKQXLICKDMU-OXQOHEQNSA-N 0 0 440.565 3.726 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011916703 556674156 /nfs/dbraw/zinc/67/41/56/556674156.db2.gz MTKRXDOQPKHGDF-GOSISDBHSA-N 0 0 430.913 3.825 50 0 IHAARN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000011916793 556674166 /nfs/dbraw/zinc/67/41/66/556674166.db2.gz QOFLAHZIGFBFHA-UHFFFAOYSA-N 0 0 427.917 3.653 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000011917794 556674669 /nfs/dbraw/zinc/67/46/69/556674669.db2.gz DOPVRENZBWFICE-GOSISDBHSA-N 0 0 436.555 3.731 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(OC)cc4)nnc32)cc1 ZINC000017307726 556675017 /nfs/dbraw/zinc/67/50/17/556675017.db2.gz JVCNYTMOXPPLHG-UHFFFAOYSA-N 0 0 425.514 3.568 50 0 IHAARN Cc1cc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000032931460 556675429 /nfs/dbraw/zinc/67/54/29/556675429.db2.gz CRCNZHGPFMPRLG-OAHLLOKOSA-N 0 0 441.601 3.808 50 0 IHAARN C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000011941268 556676523 /nfs/dbraw/zinc/67/65/23/556676523.db2.gz QCCCRICBZCHPEU-LBPRGKRZSA-N 0 0 447.442 3.752 50 0 IHAARN O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000032931926 556676979 /nfs/dbraw/zinc/67/69/79/556676979.db2.gz NHKVJXXTOQMZIU-UHFFFAOYSA-N 0 0 425.492 3.813 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)CC2=O)c1C ZINC000032936676 556678686 /nfs/dbraw/zinc/67/86/86/556678686.db2.gz UQFIMASRWFZWFX-OAHLLOKOSA-N 0 0 443.429 3.895 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996865 556678874 /nfs/dbraw/zinc/67/88/74/556678874.db2.gz AYZYZQCGXCTZAE-OAHLLOKOSA-N 0 0 445.928 3.824 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1OC ZINC000011999104 556679692 /nfs/dbraw/zinc/67/96/92/556679692.db2.gz WQRMBRSBJCZLDY-UHFFFAOYSA-N 0 0 431.492 3.873 50 0 IHAARN Cn1ccnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000225577747 556683097 /nfs/dbraw/zinc/68/30/97/556683097.db2.gz AVEDTPLSGPOLMF-NHCUHLMSSA-N 0 0 430.552 3.832 50 0 IHAARN O=[N+]([O-])c1ccc(CC=CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000001953480 556685884 /nfs/dbraw/zinc/68/58/84/556685884.db2.gz FROVUOXKSLZPNC-MOTGWWFASA-N 0 0 436.520 3.872 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000072313117 556688169 /nfs/dbraw/zinc/68/81/69/556688169.db2.gz RZGZYJCRMKJDKB-LJQANCHMSA-N 0 0 440.525 3.588 50 0 IHAARN NS(=O)(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000072312987 556688352 /nfs/dbraw/zinc/68/83/52/556688352.db2.gz QQGWJCNSQACSPG-UHFFFAOYSA-N 0 0 434.583 3.523 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000072313034 556688807 /nfs/dbraw/zinc/68/88/07/556688807.db2.gz FGZPEAAVMGWVIZ-UHFFFAOYSA-N 0 0 439.368 3.538 50 0 IHAARN O=C(Nc1ccccc1Cl)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293339 556707852 /nfs/dbraw/zinc/70/78/52/556707852.db2.gz GKICDYBGBRWPGB-OAQYLSRUSA-N 0 0 444.938 3.820 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)o1 ZINC000033028354 556708904 /nfs/dbraw/zinc/70/89/04/556708904.db2.gz NJDPVNRQRSIOTR-UHFFFAOYSA-N 0 0 428.466 3.802 50 0 IHAARN CCOc1cc(CNC(=O)C2CCN(c3ncccc3-n3cccc3)CC2)ccc1OC ZINC000033034628 556716737 /nfs/dbraw/zinc/71/67/37/556716737.db2.gz WNIAVGLVSLXIDQ-UHFFFAOYSA-N 0 0 434.540 3.812 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000061718971 556725946 /nfs/dbraw/zinc/72/59/46/556725946.db2.gz XTUSOTHPHHEFML-UHFFFAOYSA-N 0 0 426.933 3.710 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Br)c3)CC2)c1 ZINC000072328690 556726485 /nfs/dbraw/zinc/72/64/85/556726485.db2.gz CUKTTZUTMPLNLU-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000061720279 556727628 /nfs/dbraw/zinc/72/76/28/556727628.db2.gz FGSONWMCNZYUAF-UHFFFAOYSA-N 0 0 439.895 3.996 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(F)cc3)ncc2S1(=O)=O ZINC000033039614 556731311 /nfs/dbraw/zinc/73/13/11/556731311.db2.gz XESYCUWHOXEQNC-UHFFFAOYSA-N 0 0 444.513 3.542 50 0 IHAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc4c3OCCO4)ccc2=O)cc1C ZINC000033039776 556731513 /nfs/dbraw/zinc/73/15/13/556731513.db2.gz NFNATTZDDVNWNT-MRXNPFEDSA-N 0 0 437.521 3.740 50 0 IHAARN Cc1cccc(NC(=O)CSc2ncc3c(n2)-c2cc(C)ccc2N(C)S3(=O)=O)c1 ZINC000033039670 556731557 /nfs/dbraw/zinc/73/15/57/556731557.db2.gz BIFZNIMKSFGNNT-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN COCCn1c(CN(C)[C@@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC(C)(C)C ZINC000055036099 556732310 /nfs/dbraw/zinc/73/23/10/556732310.db2.gz BIWHFEACWDUIAP-KRWDZBQOSA-N 0 0 437.606 3.551 50 0 IHAARN O=C(C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccccc1 ZINC000055053354 556732834 /nfs/dbraw/zinc/73/28/34/556732834.db2.gz PEQSYASNOFWUJZ-OAQYLSRUSA-N 0 0 445.485 3.701 50 0 IHAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000019297517 556734739 /nfs/dbraw/zinc/73/47/39/556734739.db2.gz GPBOCPXKEDGAFE-UHFFFAOYSA-N 0 0 449.334 3.931 50 0 IHAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCCCN2CCOCC2)o1 ZINC000019312334 556735288 /nfs/dbraw/zinc/73/52/88/556735288.db2.gz GGMGARHLMBRGDB-UHFFFAOYSA-N 0 0 441.553 3.617 50 0 IHAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ncccn3)CC2)c1 ZINC000055271700 556739396 /nfs/dbraw/zinc/73/93/96/556739396.db2.gz YQTVXBRKYRMCSN-UHFFFAOYSA-N 0 0 426.524 3.660 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000013795769 556739872 /nfs/dbraw/zinc/73/98/72/556739872.db2.gz SSAMWCQBVFZPSG-UHFFFAOYSA-N 0 0 432.307 3.802 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cc(F)ccc4F)oc3C)CC2)cc1 ZINC000055415000 556741238 /nfs/dbraw/zinc/74/12/38/556741238.db2.gz VWANGSUNSMFHPL-UHFFFAOYSA-N 0 0 427.451 3.895 50 0 IHAARN CCCn1c2ccc(NS(=O)(=O)c3ccc(Br)cc3C)cc2oc1=O ZINC000033048780 556744951 /nfs/dbraw/zinc/74/49/51/556744951.db2.gz AGQWJZRUWYVFJY-UHFFFAOYSA-N 0 0 425.304 3.876 50 0 IHAARN NS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 ZINC000019355804 556745172 /nfs/dbraw/zinc/74/51/72/556745172.db2.gz PKBUFSQMZAZZPW-UKTHLTGXSA-N 0 0 429.519 3.698 50 0 IHAARN CN(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000057487037 556747835 /nfs/dbraw/zinc/74/78/35/556747835.db2.gz FSPWBYLGPHFNAZ-UHFFFAOYSA-N 0 0 431.452 3.639 50 0 IHAARN Cc1ccc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1NS(C)(=O)=O ZINC000060366168 556748162 /nfs/dbraw/zinc/74/81/62/556748162.db2.gz WXSYRXSJBAQJOQ-INIZCTEOSA-N 0 0 435.977 3.585 50 0 IHAARN CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000060369787 556749096 /nfs/dbraw/zinc/74/90/96/556749096.db2.gz FAAOODAUGDKWOT-UHFFFAOYSA-N 0 0 426.629 3.837 50 0 IHAARN COc1ccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1S(=O)(=O)N(C)C ZINC000057993317 556751457 /nfs/dbraw/zinc/75/14/57/556751457.db2.gz XKABHGJPRNSPEM-UHFFFAOYSA-N 0 0 427.526 3.558 50 0 IHAARN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000058024433 556754788 /nfs/dbraw/zinc/75/47/88/556754788.db2.gz QGJPWYMVTIKZLP-UHFFFAOYSA-N 0 0 439.556 3.532 50 0 IHAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000058099355 556757997 /nfs/dbraw/zinc/75/79/97/556757997.db2.gz SOYSQFJFARUSNR-KSSFIOAISA-N 0 0 428.510 3.710 50 0 IHAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000058138944 556760739 /nfs/dbraw/zinc/76/07/39/556760739.db2.gz GCLPFQYTOKHCNJ-UHFFFAOYSA-N 0 0 448.426 3.889 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)Cc1ccccc1 ZINC000058146789 556762001 /nfs/dbraw/zinc/76/20/01/556762001.db2.gz DZBYIYNWKRZBMM-UHFFFAOYSA-N 0 0 426.586 3.863 50 0 IHAARN Cc1ccc(CCC2CCN(C(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)CC2)cc1 ZINC000058151125 556762193 /nfs/dbraw/zinc/76/21/93/556762193.db2.gz HLKSTKQFACEWLU-DEOSSOPVSA-N 0 0 440.609 3.553 50 0 IHAARN O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000058160650 556764619 /nfs/dbraw/zinc/76/46/19/556764619.db2.gz RHTXPCSPLYVWRV-INIZCTEOSA-N 0 0 438.509 3.900 50 0 IHAARN Cc1cc(C(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 ZINC000058160825 556764885 /nfs/dbraw/zinc/76/48/85/556764885.db2.gz ZMRVRXFLLKKZJM-SFHVURJKSA-N 0 0 446.594 3.680 50 0 IHAARN C[C@@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058169868 556767672 /nfs/dbraw/zinc/76/76/72/556767672.db2.gz IVXXXFMEIIPONZ-QVKFZJNVSA-N 0 0 443.956 3.694 50 0 IHAARN O=C(c1ccccc1OCc1ccncc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000058203110 556771485 /nfs/dbraw/zinc/77/14/85/556771485.db2.gz ONGRQIVVPAESDI-UHFFFAOYSA-N 0 0 428.492 3.781 50 0 IHAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058218329 556772798 /nfs/dbraw/zinc/77/27/98/556772798.db2.gz RBXHXPSVXAVVTP-BEFAXECRSA-N 0 0 449.473 3.639 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(CCO)Cc1cc(Br)ccc1F ZINC000058298172 556778608 /nfs/dbraw/zinc/77/86/08/556778608.db2.gz OGQIZDMRJWNJAA-UHFFFAOYSA-N 0 0 445.716 3.683 50 0 IHAARN O=S(=O)(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1F ZINC000058307370 556779339 /nfs/dbraw/zinc/77/93/39/556779339.db2.gz ISEQJTGZPNHBCC-GFCCVEGCSA-N 0 0 431.302 3.532 50 0 IHAARN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000058312343 556780124 /nfs/dbraw/zinc/78/01/24/556780124.db2.gz WCDUNZXTKJKEQM-HUUCEWRRSA-N 0 0 425.367 3.737 50 0 IHAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 ZINC000058414422 556786565 /nfs/dbraw/zinc/78/65/65/556786565.db2.gz ALDBEZULMYILQT-HNNXBMFYSA-N 0 0 428.901 3.846 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000019530131 556791327 /nfs/dbraw/zinc/79/13/27/556791327.db2.gz VIZIUWLHMXGTMF-DEOSSOPVSA-N 0 0 447.535 3.656 50 0 IHAARN Cc1csc([C@@](O)(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C(F)(F)F)n1 ZINC000058811425 556792327 /nfs/dbraw/zinc/79/23/27/556792327.db2.gz TWGKNYGVHWIASJ-INIZCTEOSA-N 0 0 433.477 3.842 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4nccs4)CC3)c3c(C)noc3n2)s1 ZINC000011188247 556792545 /nfs/dbraw/zinc/79/25/45/556792545.db2.gz ZSQNLARLSDHOSV-UHFFFAOYSA-N 0 0 425.539 3.987 50 0 IHAARN O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000011193730 556795849 /nfs/dbraw/zinc/79/58/49/556795849.db2.gz VBTWGLDXCGIXHW-UHFFFAOYSA-N 0 0 448.535 3.604 50 0 IHAARN O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000059251001 556795956 /nfs/dbraw/zinc/79/59/56/556795956.db2.gz YPJSTGQKKPPJDT-SNVBAGLBSA-N 0 0 439.107 3.598 50 0 IHAARN O=C(OCCc1cc2cc(Br)ccc2o1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000059253430 556796167 /nfs/dbraw/zinc/79/61/67/556796167.db2.gz KMIYBKQQZXTAKK-NSHDSACASA-N 0 0 434.208 3.692 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(F)cc3)o2)cc1 ZINC000011195066 556796716 /nfs/dbraw/zinc/79/67/16/556796716.db2.gz SHOBQNAFQADQGF-LBPRGKRZSA-N 0 0 430.461 3.865 50 0 IHAARN CCOC(=O)c1c(C)oc2nc(COC(=O)Cc3cccc(C(F)(F)F)c3)nc(N)c21 ZINC000011198505 556797350 /nfs/dbraw/zinc/79/73/50/556797350.db2.gz AJPSDXNPGLGIIS-UHFFFAOYSA-N 0 0 437.374 3.595 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002059820 556798460 /nfs/dbraw/zinc/79/84/60/556798460.db2.gz FQKKRMLEYKXHRJ-MNJKBJKMSA-N 0 0 446.572 3.706 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000002631459 556801143 /nfs/dbraw/zinc/80/11/43/556801143.db2.gz ZPKLLEVDSYPMCC-AWEZNQCLSA-N 0 0 432.571 3.603 50 0 IHAARN CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)s1 ZINC000072401799 556801617 /nfs/dbraw/zinc/80/16/17/556801617.db2.gz VZXMDPAPBBYZHL-BEFAXECRSA-N 0 0 440.569 3.770 50 0 IHAARN O=C(c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCCCCC2)c1)N1CCCC1 ZINC000033053397 556805029 /nfs/dbraw/zinc/80/50/29/556805029.db2.gz DBAGGWQGGCERJK-UHFFFAOYSA-N 0 0 433.618 3.868 50 0 IHAARN Cc1nn([C@H](C)C(=O)N2CCCCCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033057817 556807739 /nfs/dbraw/zinc/80/77/39/556807739.db2.gz LGCLJOYSKAORMN-LJQANCHMSA-N 0 0 444.539 3.645 50 0 IHAARN O=C(CSc1nc2ccccc2s1)Nc1cccc(C(=O)N2CCC(CO)CC2)c1 ZINC000060380599 556807938 /nfs/dbraw/zinc/80/79/38/556807938.db2.gz NHTVMBKZCOUZOK-UHFFFAOYSA-N 0 0 441.578 3.872 50 0 IHAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000003340959 556813119 /nfs/dbraw/zinc/81/31/19/556813119.db2.gz QXYWPHYDYHLJQQ-UHFFFAOYSA-N 0 0 448.488 3.681 50 0 IHAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 ZINC000072402391 556815681 /nfs/dbraw/zinc/81/56/81/556815681.db2.gz BSJHCMAEYQYJBZ-XMMPIXPASA-N 0 0 446.595 3.939 50 0 IHAARN CC(C)n1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2c1=O ZINC000072402593 556816267 /nfs/dbraw/zinc/81/62/67/556816267.db2.gz MQANWSFSRXGPQJ-UHFFFAOYSA-N 0 0 444.457 3.959 50 0 IHAARN C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F ZINC000003482359 556816606 /nfs/dbraw/zinc/81/66/06/556816606.db2.gz XOJZWCAGTDTOND-AWEZNQCLSA-N 0 0 432.407 3.810 50 0 IHAARN COc1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c(OC)c1 ZINC000033061309 556816969 /nfs/dbraw/zinc/81/69/69/556816969.db2.gz CTVSKIPCUDCCDI-UHFFFAOYSA-N 0 0 426.498 3.687 50 0 IHAARN Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc(=O)oc2c1 ZINC000003511438 556817093 /nfs/dbraw/zinc/81/70/93/556817093.db2.gz JFGPUZFCFYYBBL-UHFFFAOYSA-N 0 0 441.505 3.633 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033061528 556818284 /nfs/dbraw/zinc/81/82/84/556818284.db2.gz NQQKOSRPQHJXLB-UHFFFAOYSA-N 0 0 449.580 3.689 50 0 IHAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)N1CCOCC1 ZINC000003664499 556818328 /nfs/dbraw/zinc/81/83/28/556818328.db2.gz QQPBPOCNDCNZJO-UHFFFAOYSA-N 0 0 431.514 3.639 50 0 IHAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000060390597 556818496 /nfs/dbraw/zinc/81/84/96/556818496.db2.gz YHCNIUXMGJDCHT-RTBURBONSA-N 0 0 435.549 3.857 50 0 IHAARN CSc1cccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c1 ZINC000033062849 556819265 /nfs/dbraw/zinc/81/92/65/556819265.db2.gz ZCJNICPNAZVTJO-UHFFFAOYSA-N 0 0 431.539 3.645 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000064137039 556822740 /nfs/dbraw/zinc/82/27/40/556822740.db2.gz NXXMKOFORGUWMC-BVZALQNUSA-N 0 0 425.916 3.927 50 0 IHAARN O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(Oc2ccccc2)c1)N1CCCCCC1 ZINC000064640168 556825670 /nfs/dbraw/zinc/82/56/70/556825670.db2.gz KMACJCYQCPPWOX-QPPBQGQZSA-N 0 0 446.555 3.684 50 0 IHAARN COc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 ZINC000019595489 556830505 /nfs/dbraw/zinc/83/05/05/556830505.db2.gz ZHDLAOYUVRQZEA-UHFFFAOYSA-N 0 0 439.487 3.764 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cccc(F)c4)cc32)cc1 ZINC000065002670 556830969 /nfs/dbraw/zinc/83/09/69/556830969.db2.gz CPYCPAVJOMGPOA-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(N(C)C)c1 ZINC000019634595 556834367 /nfs/dbraw/zinc/83/43/67/556834367.db2.gz UFWBJPNHHVGZPO-UHFFFAOYSA-N 0 0 441.557 3.779 50 0 IHAARN Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)sc2c1 ZINC000022997585 556838666 /nfs/dbraw/zinc/83/86/66/556838666.db2.gz KDRXXFJVIXRROQ-UHFFFAOYSA-N 0 0 425.554 3.739 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000006924493 556840739 /nfs/dbraw/zinc/84/07/39/556840739.db2.gz AUNLWNNYVOALST-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)n2C)c1 ZINC000019648212 556841284 /nfs/dbraw/zinc/84/12/84/556841284.db2.gz DQRXWKANLIUNBX-UHFFFAOYSA-N 0 0 448.932 3.892 50 0 IHAARN CC(C)Cc1nc2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c(=O)n2n1 ZINC000062639804 556841460 /nfs/dbraw/zinc/84/14/60/556841460.db2.gz PQCUMAQVLBDDDD-UHFFFAOYSA-N 0 0 439.313 3.888 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000011214953 556843078 /nfs/dbraw/zinc/84/30/78/556843078.db2.gz QWZAVFCDXAZDSJ-SFHVURJKSA-N 0 0 437.359 3.581 50 0 IHAARN CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000008778950 556846413 /nfs/dbraw/zinc/84/64/13/556846413.db2.gz ZCIOGJOAQJMVJD-HXUWFJFHSA-N 0 0 445.541 3.553 50 0 IHAARN O=C(OCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000008849651 556849968 /nfs/dbraw/zinc/84/99/68/556849968.db2.gz CVPSCLLHXVKSKH-UHFFFAOYSA-N 0 0 427.416 3.619 50 0 IHAARN CS(=O)(=O)c1cccc2sc(N3CCN(c4nc5c(cccc5F)s4)CC3)nc21 ZINC000008975454 556852174 /nfs/dbraw/zinc/85/21/74/556852174.db2.gz XCHHUSPOYIRORI-UHFFFAOYSA-N 0 0 448.570 3.775 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000033078308 556853228 /nfs/dbraw/zinc/85/32/28/556853228.db2.gz ZLCZJNABWAOTIE-FQEVSTJZSA-N 0 0 449.624 3.815 50 0 IHAARN CCN(C(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1)c1cccc(C)c1 ZINC000033088055 556855692 /nfs/dbraw/zinc/85/56/92/556855692.db2.gz BGGHOYYLAXIPKT-UHFFFAOYSA-N 0 0 433.552 3.581 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3cccc(OC)c3OC)sc2c1 ZINC000033088159 556855909 /nfs/dbraw/zinc/85/59/09/556855909.db2.gz HUFHLUXLQASYKG-AWEZNQCLSA-N 0 0 436.493 3.982 50 0 IHAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(I)cc1)c3=O ZINC000033088864 556858052 /nfs/dbraw/zinc/85/80/52/556858052.db2.gz SGHCXIPUEPTTIM-LLVKDONJSA-N 0 0 430.245 3.976 50 0 IHAARN CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000033129814 556869286 /nfs/dbraw/zinc/86/92/86/556869286.db2.gz QWAGLUXQMCDWDA-UHFFFAOYSA-N 0 0 447.988 3.861 50 0 IHAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000033131332 556871730 /nfs/dbraw/zinc/87/17/30/556871730.db2.gz WIMWEAZMPFZYLY-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2C1=O ZINC000011222121 556874848 /nfs/dbraw/zinc/87/48/48/556874848.db2.gz IQAJIDINRRTMPK-UHFFFAOYSA-N 0 0 443.411 3.564 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)sc1C ZINC000033173858 556883881 /nfs/dbraw/zinc/88/38/81/556883881.db2.gz BMQIIAWYKGNRFR-UHFFFAOYSA-N 0 0 431.461 3.953 50 0 IHAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Br)cc1 ZINC000033169835 556884962 /nfs/dbraw/zinc/88/49/62/556884962.db2.gz SDNBLSQHCSZVLF-CYBMUJFWSA-N 0 0 427.258 3.605 50 0 IHAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(OC)cc3)cc2)nc2cccnc21 ZINC000033170450 556885630 /nfs/dbraw/zinc/88/56/30/556885630.db2.gz KLWOLRRGIXCCFK-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCCCC1 ZINC000033170627 556886078 /nfs/dbraw/zinc/88/60/78/556886078.db2.gz UBPBKVXHEJIBQN-BENRWUELSA-N 0 0 433.530 3.731 50 0 IHAARN O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1I ZINC000033222276 556888544 /nfs/dbraw/zinc/88/85/44/556888544.db2.gz QHMHRQZKPHCNAV-LLVKDONJSA-N 0 0 427.669 3.926 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000033228603 556888563 /nfs/dbraw/zinc/88/85/63/556888563.db2.gz ONHDLVLFJDGAGQ-ZDUSSCGKSA-N 0 0 447.308 3.804 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033251958 556892278 /nfs/dbraw/zinc/89/22/78/556892278.db2.gz FVEUXVYNRGCRBP-GOSISDBHSA-N 0 0 438.933 3.539 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)cc2)no1 ZINC000033258192 556895696 /nfs/dbraw/zinc/89/56/96/556895696.db2.gz HTTUHASOHKIWQB-UHFFFAOYSA-N 0 0 437.500 3.670 50 0 IHAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccccc5)CC4)nn32)c1 ZINC000033260211 556896923 /nfs/dbraw/zinc/89/69/23/556896923.db2.gz ACLRVFACKUMHEA-UHFFFAOYSA-N 0 0 426.524 3.633 50 0 IHAARN CCc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 ZINC000033260429 556897083 /nfs/dbraw/zinc/89/70/83/556897083.db2.gz ZLXQFUMVZSRHTC-UHFFFAOYSA-N 0 0 440.551 3.887 50 0 IHAARN COc1cc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc(OC)c1 ZINC000033263695 556906983 /nfs/dbraw/zinc/90/69/83/556906983.db2.gz ICBMPVOBWQHFDE-UHFFFAOYSA-N 0 0 431.496 3.861 50 0 IHAARN CCOc1ccc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019790222 556914988 /nfs/dbraw/zinc/91/49/88/556914988.db2.gz BCIJOLJCVXGWBV-UHFFFAOYSA-N 0 0 433.346 3.571 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc(OC)c1OC ZINC000019819267 556922451 /nfs/dbraw/zinc/92/24/51/556922451.db2.gz WQMKULAGMUFJAG-UHFFFAOYSA-N 0 0 433.464 3.563 50 0 IHAARN CN1CCN(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)CC1 ZINC000019832010 556927008 /nfs/dbraw/zinc/92/70/08/556927008.db2.gz RHHZONNKRJHDJL-UHFFFAOYSA-N 0 0 444.557 3.554 50 0 IHAARN COc1cc(CN2CCN(Cc3ccc(OC(C)C)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019840635 556929412 /nfs/dbraw/zinc/92/94/12/556929412.db2.gz FYWAUZBYVZFDBN-QFIPXVFZSA-N 0 0 428.573 3.560 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857104 556931388 /nfs/dbraw/zinc/93/13/88/556931388.db2.gz SQZWJVAJCIFUFW-INIZCTEOSA-N 0 0 437.359 3.630 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860318 556932703 /nfs/dbraw/zinc/93/27/03/556932703.db2.gz XCBVRNWMFMOAPO-AWEZNQCLSA-N 0 0 428.888 3.799 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1Cl ZINC000019862747 556933854 /nfs/dbraw/zinc/93/38/54/556933854.db2.gz SIYWJVLHVKPARF-OAHLLOKOSA-N 0 0 440.924 3.668 50 0 IHAARN CC(=O)CSc1nnc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)n1-c1ccccc1 ZINC000019897576 556940605 /nfs/dbraw/zinc/94/06/05/556940605.db2.gz UHEINNIDVMIIIK-QGZVFWFLSA-N 0 0 439.928 3.610 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1 ZINC000019899881 556941666 /nfs/dbraw/zinc/94/16/66/556941666.db2.gz INKFNGXPLFWEDG-OAQYLSRUSA-N 0 0 428.536 3.720 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCOCC2)cc1 ZINC000019902207 556942375 /nfs/dbraw/zinc/94/23/75/556942375.db2.gz YWSICKMQDUXZCS-NRFANRHFSA-N 0 0 432.948 3.534 50 0 IHAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019909569 556942946 /nfs/dbraw/zinc/94/29/46/556942946.db2.gz DDAPYLBPUOOQQB-UHFFFAOYSA-N 0 0 443.352 3.537 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911031 556943066 /nfs/dbraw/zinc/94/30/66/556943066.db2.gz ZXMXJRGZTGKUPC-UHFFFAOYSA-N 0 0 430.411 3.995 50 0 IHAARN CC(=O)Nc1ccc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)sc2c1 ZINC000019913506 556943583 /nfs/dbraw/zinc/94/35/83/556943583.db2.gz VGCZTTFSZAHNRD-UHFFFAOYSA-N 0 0 440.594 3.691 50 0 IHAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1C(F)(F)F ZINC000019912653 556943622 /nfs/dbraw/zinc/94/36/22/556943622.db2.gz SILRDXJUZXFPSM-UHFFFAOYSA-N 0 0 426.192 3.817 50 0 IHAARN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019938182 556952127 /nfs/dbraw/zinc/95/21/27/556952127.db2.gz GHLJVEKNNIWOIL-UHFFFAOYSA-N 0 0 427.570 3.680 50 0 IHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000072442138 556973361 /nfs/dbraw/zinc/97/33/61/556973361.db2.gz MOZNLRYJEKFQPL-UHFFFAOYSA-N 0 0 449.576 3.853 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000033265298 556975251 /nfs/dbraw/zinc/97/52/51/556975251.db2.gz YWTWXRNXDCIETL-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000033265313 556975512 /nfs/dbraw/zinc/97/55/12/556975512.db2.gz GNECXPILBSYPIK-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN C[C@@H](c1ccccc1Cl)N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000097005117 556978954 /nfs/dbraw/zinc/97/89/54/556978954.db2.gz GFMVPDNLLMJOGH-KRWDZBQOSA-N 0 0 440.975 3.550 50 0 IHAARN CSc1nc(N)c2c(n1)N=C1COC(=O)C1[C@@H]2c1cccc(OCc2ccccc2)c1 ZINC000020086860 556979215 /nfs/dbraw/zinc/97/92/15/556979215.db2.gz IZKVXIFJJIYXRX-KRWDZBQOSA-N 0 0 432.505 3.728 50 0 IHAARN Cc1ccc(C2=NC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)NC2=O)cc1 ZINC000033267525 556981477 /nfs/dbraw/zinc/98/14/77/556981477.db2.gz ZHVQCFYLZYXEAL-UHFFFAOYSA-N 0 0 430.430 3.957 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033268553 556985090 /nfs/dbraw/zinc/98/50/90/556985090.db2.gz PWPNVGDFIFARDQ-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000023044123 556986338 /nfs/dbraw/zinc/98/63/38/556986338.db2.gz NFMWLVPRSOBIHX-CYBMUJFWSA-N 0 0 442.566 3.939 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033269077 556987941 /nfs/dbraw/zinc/98/79/41/556987941.db2.gz QQBYCCAWGLKNHX-CQSZACIVSA-N 0 0 431.309 3.997 50 0 IHAARN O=C(NCCCc1ccccc1)c1nnn2c1CO[C@H](c1ccc(Br)cc1)C2 ZINC000097122776 556990626 /nfs/dbraw/zinc/99/06/26/556990626.db2.gz PZJGFXYIJMWQLO-IBGZPJMESA-N 0 0 441.329 3.675 50 0 IHAARN COC(=O)CN[C@@H](c1ccc(C)cc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000097165855 556994799 /nfs/dbraw/zinc/99/47/99/556994799.db2.gz DZPSTCRJXKFPKS-DEOSSOPVSA-N 0 0 438.549 3.956 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(Cc4ncc(C)c(OC)c4C)CC3)c2c1 ZINC000020177558 556995654 /nfs/dbraw/zinc/99/56/54/556995654.db2.gz OSWUNLUQQHBTEL-UHFFFAOYSA-N 0 0 437.540 3.530 50 0 IHAARN Cc1cc(C)nc(CNCc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)n1 ZINC000020203714 556997955 /nfs/dbraw/zinc/99/79/55/556997955.db2.gz KBOHHCPHNUPROL-UHFFFAOYSA-N 0 0 442.567 3.654 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c2c1 ZINC000020213106 556999030 /nfs/dbraw/zinc/99/90/30/556999030.db2.gz SENHPPWKYPUGPX-UHFFFAOYSA-N 0 0 433.552 3.729 50 0 IHAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1cccn1 ZINC000077387124 556999175 /nfs/dbraw/zinc/99/91/75/556999175.db2.gz ZNALYRXMAILWMH-LJQANCHMSA-N 0 0 432.528 3.742 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213956 556999326 /nfs/dbraw/zinc/99/93/26/556999326.db2.gz VPQVCGNSMGMBKM-OAQYLSRUSA-N 0 0 425.916 3.569 50 0 IHAARN O=C(CCSc1ncccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000011253387 557009612 /nfs/dbraw/zinc/00/96/12/557009612.db2.gz MQSOLQOZWWVZBY-UHFFFAOYSA-N 0 0 425.963 3.640 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)NCCC4=CCCCC4)CC3)n2)cc1 ZINC000096941299 557010046 /nfs/dbraw/zinc/01/00/46/557010046.db2.gz IWYSIUINLZRYDM-FQEVSTJZSA-N 0 0 437.588 3.558 50 0 IHAARN CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O ZINC000023126749 557011373 /nfs/dbraw/zinc/01/13/73/557011373.db2.gz NDAANSPIUPNERP-UHFFFAOYSA-N 0 0 444.413 3.936 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2)n3C)cc1 ZINC000020412895 557014473 /nfs/dbraw/zinc/01/44/73/557014473.db2.gz CTRRFTCFHSCFDS-UHFFFAOYSA-N 0 0 442.519 3.872 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)NCc3ccc4c(c3)OCO4)cc(C)c12 ZINC000045990830 557016696 /nfs/dbraw/zinc/01/66/96/557016696.db2.gz YOFVCLVVRLTBTM-UHFFFAOYSA-N 0 0 444.491 3.770 50 0 IHAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c12 ZINC000045991008 557016714 /nfs/dbraw/zinc/01/67/14/557016714.db2.gz DAGNGMAJBYQNPS-UHFFFAOYSA-N 0 0 434.427 3.923 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1 ZINC000045992476 557018237 /nfs/dbraw/zinc/01/82/37/557018237.db2.gz QJCIDJZSMNEHNB-LLVKDONJSA-N 0 0 438.406 3.719 50 0 IHAARN COc1ccc2cc(C(=O)NCc3ccccc3CS(=O)(=O)NC(C)C)ccc2c1 ZINC000010707547 557019377 /nfs/dbraw/zinc/01/93/77/557019377.db2.gz QSLCABKEBATDNU-UHFFFAOYSA-N 0 0 426.538 3.606 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc3C)cc1C ZINC000023137788 557019812 /nfs/dbraw/zinc/01/98/12/557019812.db2.gz GORXILGUERTBEZ-UHFFFAOYSA-N 0 0 446.536 3.570 50 0 IHAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc21 ZINC000032943804 557021787 /nfs/dbraw/zinc/02/17/87/557021787.db2.gz SSOPNFVDRCPRHD-UHFFFAOYSA-N 0 0 427.345 3.709 50 0 IHAARN COc1ccc(CNC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1OC ZINC000046016723 557023315 /nfs/dbraw/zinc/02/33/15/557023315.db2.gz RSHZBINIKDQIBQ-UHFFFAOYSA-N 0 0 446.507 3.750 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C ZINC000046027407 557023337 /nfs/dbraw/zinc/02/33/37/557023337.db2.gz IDJMJQYLROFQNM-UHFFFAOYSA-N 0 0 437.565 3.850 50 0 IHAARN Cc1nc2sccn2c1-c1nnc(SCC(=O)NCc2ccccc2Cl)n1C ZINC000023141463 557023562 /nfs/dbraw/zinc/02/35/62/557023562.db2.gz FLEYIDYGKJSZIC-UHFFFAOYSA-N 0 0 432.962 3.562 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000046027470 557023581 /nfs/dbraw/zinc/02/35/81/557023581.db2.gz ASHVTYNMTUJPQS-UHFFFAOYSA-N 0 0 427.501 3.574 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1cccc3ccccc31)CSC2)NCc1ccco1 ZINC000023139377 557024019 /nfs/dbraw/zinc/02/40/19/557024019.db2.gz XYACLGVOQLQHOW-UHFFFAOYSA-N 0 0 432.505 3.945 50 0 IHAARN Cc1cc(I)ccc1NC(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000010755082 557024384 /nfs/dbraw/zinc/02/43/84/557024384.db2.gz YUQGVQPBOYJNEM-UHFFFAOYSA-N 0 0 449.292 3.542 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010755597 557024677 /nfs/dbraw/zinc/02/46/77/557024677.db2.gz FOSGLVCLNYSJJH-GFCCVEGCSA-N 0 0 429.361 3.550 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c1C ZINC000046046366 557026132 /nfs/dbraw/zinc/02/61/32/557026132.db2.gz HFDWVAPQSWHFFS-LJQANCHMSA-N 0 0 445.604 3.818 50 0 IHAARN NC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153805 557028758 /nfs/dbraw/zinc/02/87/58/557028758.db2.gz TWUADPPPGWAQLP-UHFFFAOYSA-N 0 0 427.476 3.936 50 0 IHAARN O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010811776 557029410 /nfs/dbraw/zinc/02/94/10/557029410.db2.gz ANOIQLJAXVTWLB-LLVKDONJSA-N 0 0 431.992 3.529 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074548 557030492 /nfs/dbraw/zinc/03/04/92/557030492.db2.gz YNQAWSDIJKOGMJ-CYBMUJFWSA-N 0 0 440.912 3.780 50 0 IHAARN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000023157995 557030956 /nfs/dbraw/zinc/03/09/56/557030956.db2.gz IAPCCGCKECZCOG-SNUQEOBHSA-N 0 0 446.573 3.898 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N3)c1 ZINC000046074818 557031123 /nfs/dbraw/zinc/03/11/23/557031123.db2.gz RKYLWFQRFILZLP-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)NCc1ccc(F)cc1 ZINC000017190082 557035782 /nfs/dbraw/zinc/03/57/82/557035782.db2.gz DPVQNIUPNNGFRO-UHFFFAOYSA-N 0 0 440.478 3.855 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046124691 557037406 /nfs/dbraw/zinc/03/74/06/557037406.db2.gz NDCIXNBUYUOAII-INIZCTEOSA-N 0 0 442.566 3.667 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017178236 557037772 /nfs/dbraw/zinc/03/77/72/557037772.db2.gz WNLJHBRBCZXHAZ-UHFFFAOYSA-N 0 0 439.471 3.514 50 0 IHAARN C[C@H]1c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N(CCC3)C1=O ZINC000017247579 557041950 /nfs/dbraw/zinc/04/19/50/557041950.db2.gz RIDRKFPZYYEMAQ-NSHDSACASA-N 0 0 426.416 3.782 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000046145308 557043213 /nfs/dbraw/zinc/04/32/13/557043213.db2.gz VKIBUKRHAHZVCV-UHFFFAOYSA-N 0 0 446.878 3.942 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000046145300 557043232 /nfs/dbraw/zinc/04/32/32/557043232.db2.gz UFKKLSYIGDQXDD-UHFFFAOYSA-N 0 0 446.878 3.942 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000017286987 557045257 /nfs/dbraw/zinc/04/52/57/557045257.db2.gz PUUCRMGVJDAIQQ-UHFFFAOYSA-N 0 0 428.963 3.633 50 0 IHAARN O=S1(=O)CC[C@H](Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)C1 ZINC000048234994 557046399 /nfs/dbraw/zinc/04/63/99/557046399.db2.gz LECIUHOOIVNQOF-LLVKDONJSA-N 0 0 425.919 3.648 50 0 IHAARN Cc1cc(CN2CCN([C@H](C)c3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)no1 ZINC000022919671 557046696 /nfs/dbraw/zinc/04/66/96/557046696.db2.gz GSYKMZLIWIJSGQ-MRXNPFEDSA-N 0 0 435.553 3.827 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSC(C)(C)C)c1 ZINC000022921190 557047309 /nfs/dbraw/zinc/04/73/09/557047309.db2.gz PODXFZOJCFWUBS-UHFFFAOYSA-N 0 0 427.636 3.788 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2n[nH]c(-c3cccnc3)n2)no1 ZINC000033271040 557048481 /nfs/dbraw/zinc/04/84/81/557048481.db2.gz DOVXAALTRRNYQD-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1 ZINC000048260196 557049019 /nfs/dbraw/zinc/04/90/19/557049019.db2.gz QHMQJLSPKKMNCJ-NRFANRHFSA-N 0 0 425.573 3.653 50 0 IHAARN O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc(F)c(F)c1 ZINC000022930461 557049901 /nfs/dbraw/zinc/04/99/01/557049901.db2.gz OYBCTHYYBOKDJU-UHFFFAOYSA-N 0 0 444.345 3.935 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000022931340 557050144 /nfs/dbraw/zinc/05/01/44/557050144.db2.gz PVFODGNWVPUOGV-UHFFFAOYSA-N 0 0 445.563 3.561 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000048288437 557053933 /nfs/dbraw/zinc/05/39/33/557053933.db2.gz GEHQPRFWWUZBTL-GASCZTMLSA-N 0 0 426.542 3.579 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)cs2)o1 ZINC000048290971 557055796 /nfs/dbraw/zinc/05/57/96/557055796.db2.gz YBOCJVLMDZAMSO-MRXNPFEDSA-N 0 0 428.533 3.995 50 0 IHAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N(C)c2ccccc2)cn3C2CC2)CC1 ZINC000051364352 557059290 /nfs/dbraw/zinc/05/92/90/557059290.db2.gz LNCKPGMXGIEZQS-UHFFFAOYSA-N 0 0 448.542 3.894 50 0 IHAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)OCCCO2 ZINC000023054345 557060103 /nfs/dbraw/zinc/06/01/03/557060103.db2.gz FBOZIDUUIPIJTI-SBUREZEXSA-N 0 0 426.488 3.853 50 0 IHAARN CCNC(=O)COc1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC ZINC000048311588 557061197 /nfs/dbraw/zinc/06/11/97/557061197.db2.gz QIRYTFGFDBOMRA-BJKOFHAPSA-N 0 0 440.540 3.587 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)ncn2)c1C ZINC000082230477 557061560 /nfs/dbraw/zinc/06/15/60/557061560.db2.gz QIPITVYWEVFVQT-UHFFFAOYSA-N 0 0 427.512 3.786 50 0 IHAARN CCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O ZINC000033286791 557063895 /nfs/dbraw/zinc/06/38/95/557063895.db2.gz ZJYCDDDQMQZKOZ-GDNBJRDFSA-N 0 0 435.299 3.839 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c1 ZINC000033287415 557064659 /nfs/dbraw/zinc/06/46/59/557064659.db2.gz QYTNQNUUIIVZAY-UHFFFAOYSA-N 0 0 444.491 3.820 50 0 IHAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C[C@@H](C)O1 ZINC000048324517 557065362 /nfs/dbraw/zinc/06/53/62/557065362.db2.gz SLRWYSOQLIGTMR-KNKQGSTJSA-N 0 0 436.556 3.785 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)nc(C)n2)n1 ZINC000023144579 557067994 /nfs/dbraw/zinc/06/79/94/557067994.db2.gz JOJHGTIKUFBLNR-UHFFFAOYSA-N 0 0 439.951 3.903 50 0 IHAARN O=C1c2cc3c(cc2N(CN(Cc2ccccc2C(F)(F)F)C2CC2)C1=O)OCCO3 ZINC000048340474 557070436 /nfs/dbraw/zinc/07/04/36/557070436.db2.gz FXTKQSIKLJZJIQ-UHFFFAOYSA-N 0 0 432.398 3.628 50 0 IHAARN O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000048353967 557072302 /nfs/dbraw/zinc/07/23/02/557072302.db2.gz ATYPGDYBARZHTP-IBGZPJMESA-N 0 0 439.947 3.796 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004749902 557072911 /nfs/dbraw/zinc/07/29/11/557072911.db2.gz LHNIVPDNQDEMJW-NRFANRHFSA-N 0 0 429.582 3.621 50 0 IHAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 ZINC000033297971 557073836 /nfs/dbraw/zinc/07/38/36/557073836.db2.gz MJWMIQGXJPDVEZ-XFXZXTDPSA-N 0 0 429.498 3.916 50 0 IHAARN CN(Cc1cccs1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010886445 557074509 /nfs/dbraw/zinc/07/45/09/557074509.db2.gz MDZNVHLRGKTPQM-UHFFFAOYSA-N 0 0 427.501 3.767 50 0 IHAARN CC(C)Oc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000048374554 557076751 /nfs/dbraw/zinc/07/67/51/557076751.db2.gz HHEBJEGXECQCFQ-UHFFFAOYSA-N 0 0 425.938 3.699 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O ZINC000033300116 557078605 /nfs/dbraw/zinc/07/86/05/557078605.db2.gz QTMAEMLXHNVLEJ-HNNXBMFYSA-N 0 0 436.512 3.797 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccc(F)cc4)c3=O)n2)c1 ZINC000048986496 557082338 /nfs/dbraw/zinc/08/23/38/557082338.db2.gz NXZFYBKRQPDFQQ-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccc(OC)cc1 ZINC000033300573 557082462 /nfs/dbraw/zinc/08/24/62/557082462.db2.gz MPYFKYUIEYYICV-UHFFFAOYSA-N 0 0 433.464 3.800 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CCOC)c(=O)c21 ZINC000048987977 557082813 /nfs/dbraw/zinc/08/28/13/557082813.db2.gz MIFFQEAANKFAFF-UHFFFAOYSA-N 0 0 446.507 3.549 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(F)ccc3C)c2c1=O ZINC000048988094 557082866 /nfs/dbraw/zinc/08/28/66/557082866.db2.gz OHMKXIAVZHXUDF-UHFFFAOYSA-N 0 0 434.471 3.598 50 0 IHAARN Cc1noc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)n1 ZINC000023372173 557088392 /nfs/dbraw/zinc/08/83/92/557088392.db2.gz NPOHRYHQVRDRRE-UHFFFAOYSA-N 0 0 446.257 3.515 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3cccc(Cl)c3C)c2n1 ZINC000049002211 557089906 /nfs/dbraw/zinc/08/99/06/557089906.db2.gz KWKOJXPIJDCHFK-UHFFFAOYSA-N 0 0 438.915 3.541 50 0 IHAARN O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccc(F)cc1F ZINC000049002461 557090139 /nfs/dbraw/zinc/09/01/39/557090139.db2.gz PNWNPOMTNFKYDV-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2c3ccccc3nc21 ZINC000023411221 557091414 /nfs/dbraw/zinc/09/14/14/557091414.db2.gz RZCSZEYYWYVAQM-LJQANCHMSA-N 0 0 426.904 3.951 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000023417515 557091812 /nfs/dbraw/zinc/09/18/12/557091812.db2.gz SHJRSKSNYKCQAP-UHFFFAOYSA-N 0 0 444.560 3.714 50 0 IHAARN O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000033310393 557092987 /nfs/dbraw/zinc/09/29/87/557092987.db2.gz IRDDHWZCKFAZAR-UHFFFAOYSA-N 0 0 428.573 3.747 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)nc23)cc1 ZINC000033309391 557092990 /nfs/dbraw/zinc/09/29/90/557092990.db2.gz QYUHLEGRJMHZBG-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN CSc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000049313061 557094345 /nfs/dbraw/zinc/09/43/45/557094345.db2.gz BJUUGPTZTFXPTQ-RVDMUPIBSA-N 0 0 433.942 3.923 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@H](COc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000033311618 557095629 /nfs/dbraw/zinc/09/56/29/557095629.db2.gz KXDVZUHYHDUZPJ-IBGZPJMESA-N 0 0 440.515 3.758 50 0 IHAARN CC1CCN(C(=O)[C@@H]2c3ccccc3CCN2CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000033312858 557097672 /nfs/dbraw/zinc/09/76/72/557097672.db2.gz BFKAJBLHNVKBKB-QHCPKHFHSA-N 0 0 427.495 3.761 50 0 IHAARN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1C ZINC000049406271 557099882 /nfs/dbraw/zinc/09/98/82/557099882.db2.gz HXBVPKRMAZXYMP-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccnc3)n2-c2ccccc2)cc1 ZINC000072191577 557100538 /nfs/dbraw/zinc/10/05/38/557100538.db2.gz MKAARWBMPMJJAR-UHFFFAOYSA-N 0 0 431.521 3.993 50 0 IHAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000072191641 557100774 /nfs/dbraw/zinc/10/07/74/557100774.db2.gz QRXMEMGISOKGHI-INIZCTEOSA-N 0 0 444.586 3.612 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000049406082 557101229 /nfs/dbraw/zinc/10/12/29/557101229.db2.gz VCYMONOXAASAEO-UHFFFAOYSA-N 0 0 449.530 3.739 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)[nH]n2)c(C)c1 ZINC000049406667 557101936 /nfs/dbraw/zinc/10/19/36/557101936.db2.gz XZGAMFRUMQBJND-UHFFFAOYSA-N 0 0 445.567 3.794 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000033320921 557104875 /nfs/dbraw/zinc/10/48/75/557104875.db2.gz DFKCHGCRRKGCGX-UHFFFAOYSA-N 0 0 442.541 3.711 50 0 IHAARN O=C(Cc1noc2ccccc12)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147573 557105076 /nfs/dbraw/zinc/10/50/76/557105076.db2.gz ZYZJLEMYEQOKIQ-UHFFFAOYSA-N 0 0 446.482 3.672 50 0 IHAARN CCOC(=O)[C@H](CC(C)C)NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000004772803 557105989 /nfs/dbraw/zinc/10/59/89/557105989.db2.gz KSDXAESPAOYKPE-MEPUESOJSA-N 0 0 426.488 3.691 50 0 IHAARN Cc1c(C(=O)Nc2cccc(N3CCCC3=O)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023695980 557107298 /nfs/dbraw/zinc/10/72/98/557107298.db2.gz XZESZGWSIRMZEE-UHFFFAOYSA-N 0 0 429.402 3.974 50 0 IHAARN O=C(NCc1ccncc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421210 557107746 /nfs/dbraw/zinc/10/77/46/557107746.db2.gz ZCWBQRXUQZNNPN-SFHVURJKSA-N 0 0 445.548 3.579 50 0 IHAARN O=S(=O)(CCCc1ccccc1)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000033326475 557108427 /nfs/dbraw/zinc/10/84/27/557108427.db2.gz SJAFLSQKFZIETP-HXUWFJFHSA-N 0 0 449.619 3.815 50 0 IHAARN CC(=O)N(c1nc(COC(=O)C2=NN(C)C(=O)CC2)cs1)c1c(C)cc(C)cc1Cl ZINC000017734330 557113059 /nfs/dbraw/zinc/11/30/59/557113059.db2.gz JLXVDZQXFKYAEJ-UHFFFAOYSA-N 0 0 448.932 3.749 50 0 IHAARN COc1ccc(N2c3c(sc(=O)n3C)[C@@H](c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000049550015 557113001 /nfs/dbraw/zinc/11/30/01/557113001.db2.gz SPZJKAOXVWITTD-QGZVFWFLSA-N 0 0 426.494 3.673 50 0 IHAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000049550937 557113269 /nfs/dbraw/zinc/11/32/69/557113269.db2.gz KBKMVFKDKIIQGL-CYBMUJFWSA-N 0 0 428.901 3.762 50 0 IHAARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](Sc3cccc(N)c3)C1=O)CCCC2 ZINC000113509758 557113776 /nfs/dbraw/zinc/11/37/76/557113776.db2.gz NFWJILBPWGIGIL-MRXNPFEDSA-N 0 0 430.551 3.810 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 ZINC000023750276 557114089 /nfs/dbraw/zinc/11/40/89/557114089.db2.gz WKXCBGGBSKFGPD-UHFFFAOYSA-N 0 0 447.564 3.914 50 0 IHAARN CS(=O)(=O)c1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023757990 557114557 /nfs/dbraw/zinc/11/45/57/557114557.db2.gz LTYZIMXFFJSQAH-UHFFFAOYSA-N 0 0 445.544 3.932 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000023777583 557115697 /nfs/dbraw/zinc/11/56/97/557115697.db2.gz MESIKEMYPMDWEF-NQIIRXRSSA-N 0 0 435.503 3.709 50 0 IHAARN CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000098069051 557116629 /nfs/dbraw/zinc/11/66/29/557116629.db2.gz LPZHUUZXIWDUSW-UHFFFAOYSA-N 0 0 447.564 3.891 50 0 IHAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000033332100 557117014 /nfs/dbraw/zinc/11/70/14/557117014.db2.gz CPDDBEJWRKGFEF-RUZDIDTESA-N 0 0 431.492 3.848 50 0 IHAARN O=C(COC(=O)c1cccnc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000113640069 557118801 /nfs/dbraw/zinc/11/88/01/557118801.db2.gz OJEZZISCWMJGFV-HXUWFJFHSA-N 0 0 446.484 3.546 50 0 IHAARN CCOc1cc(Br)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000033336144 557119006 /nfs/dbraw/zinc/11/90/06/557119006.db2.gz CQLCVRCLNHUTFO-MFOYZWKCSA-N 0 0 431.311 3.627 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1N(C)S(=O)(=O)c1ccccc1 ZINC000008682800 557120951 /nfs/dbraw/zinc/12/09/51/557120951.db2.gz PSDRQKWWPSGGPT-UHFFFAOYSA-N 0 0 436.599 3.612 50 0 IHAARN CCOC(=O)[C@@H](C(C)=O)C(c1ccc(OCCC(C)C)cc1)[C@H](C(C)=O)C(=O)OCC ZINC000005220314 557121927 /nfs/dbraw/zinc/12/19/27/557121927.db2.gz ACWPHFJHVAZJCZ-SFTDATJTSA-N 0 0 434.529 3.732 50 0 biogenic IHAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000023881534 557122783 /nfs/dbraw/zinc/12/27/83/557122783.db2.gz YWAKZRXBNNBRQY-VWLOTQADSA-N 0 0 449.620 3.929 50 0 IHAARN CCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000017800778 557122939 /nfs/dbraw/zinc/12/29/39/557122939.db2.gz FCTSRTPQHGPVMJ-CQSZACIVSA-N 0 0 449.345 3.681 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCOCC2)cc1 ZINC000023908037 557124816 /nfs/dbraw/zinc/12/48/16/557124816.db2.gz CZMMLERPUYBSIQ-RUZDIDTESA-N 0 0 444.531 3.730 50 0 IHAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000000649307 557124918 /nfs/dbraw/zinc/12/49/18/557124918.db2.gz YMOZLUPIMHOABR-UHFFFAOYSA-N 0 0 427.530 3.658 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000023934852 557125991 /nfs/dbraw/zinc/12/59/91/557125991.db2.gz GQVBLQDVWGGAAQ-HXUWFJFHSA-N 0 0 433.556 3.616 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000023956413 557127701 /nfs/dbraw/zinc/12/77/01/557127701.db2.gz OQCZUZHJRKDWJN-UHFFFAOYSA-N 0 0 445.635 3.867 50 0 IHAARN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc(Cl)c1 ZINC000017953425 557130573 /nfs/dbraw/zinc/13/05/73/557130573.db2.gz ZICMLKHLNQERCF-JQBYJRRVSA-N 0 0 428.875 3.877 50 0 IHAARN CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2nc3ccccc3nc21 ZINC000010934793 557133591 /nfs/dbraw/zinc/13/35/91/557133591.db2.gz SGINGPKOKNMXSD-UHFFFAOYSA-N 0 0 442.498 3.930 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nnsc1Cl)n2CC ZINC000024078242 557135467 /nfs/dbraw/zinc/13/54/67/557135467.db2.gz QAYPPRSXWGMSBE-UHFFFAOYSA-N 0 0 446.023 3.884 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2 ZINC000010932328 557136790 /nfs/dbraw/zinc/13/67/90/557136790.db2.gz UJIMJHLFSWJKAA-UHFFFAOYSA-N 0 0 449.573 3.537 50 0 IHAARN O[C@@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000000703741 557138337 /nfs/dbraw/zinc/13/83/37/557138337.db2.gz VXSZACVDGSJGDM-LJQANCHMSA-N 0 0 439.781 3.660 50 0 IHAARN Cc1ccc(-c2ccc(OS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1 ZINC000024249122 557142109 /nfs/dbraw/zinc/14/21/09/557142109.db2.gz WZOYZHHIAZZZOI-UHFFFAOYSA-N 0 0 431.535 3.680 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004764089 557142762 /nfs/dbraw/zinc/14/27/62/557142762.db2.gz YYSYPZWUKZYOPJ-NQIIRXRSSA-N 0 0 426.513 3.576 50 0 IHAARN O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000002469133 557142886 /nfs/dbraw/zinc/14/28/86/557142886.db2.gz HQYNHECOUJQKSP-LLVKDONJSA-N 0 0 447.351 3.689 50 0 IHAARN O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000002469131 557142903 /nfs/dbraw/zinc/14/29/03/557142903.db2.gz HQYNHECOUJQKSP-NSHDSACASA-N 0 0 447.351 3.689 50 0 IHAARN NC(=O)NCc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000024335234 557144517 /nfs/dbraw/zinc/14/45/17/557144517.db2.gz BYZMXVYVSWPPLX-UHFFFAOYSA-N 0 0 425.492 3.638 50 0 IHAARN O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1I ZINC000010943045 557144735 /nfs/dbraw/zinc/14/47/35/557144735.db2.gz MFVUJHLFPCWKIG-UHFFFAOYSA-N 0 0 435.265 3.690 50 0 IHAARN Cc1c(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c(=O)n(-c2ccccc2)n1C ZINC000000712091 557146683 /nfs/dbraw/zinc/14/66/83/557146683.db2.gz ZKYCQJVIHKZTNS-UHFFFAOYSA-N 0 0 442.483 3.915 50 0 IHAARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450650 557149458 /nfs/dbraw/zinc/14/94/58/557149458.db2.gz FEEUYTAZQYTYNX-UHFFFAOYSA-N 0 0 433.382 3.567 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000024809868 557149569 /nfs/dbraw/zinc/14/95/69/557149569.db2.gz RSLQGCPWDJXIOI-UHFFFAOYSA-N 0 0 436.821 3.679 50 0 IHAARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c1 ZINC000011481596 557152819 /nfs/dbraw/zinc/15/28/19/557152819.db2.gz ZBDWVAFLLUFIHJ-UHFFFAOYSA-N 0 0 428.666 3.915 50 0 IHAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607188 557153401 /nfs/dbraw/zinc/15/34/01/557153401.db2.gz GAAHVTGSJMPUGS-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000024611096 557155138 /nfs/dbraw/zinc/15/51/38/557155138.db2.gz MXSBDBATVJURRC-FQEVSTJZSA-N 0 0 428.598 3.674 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613562 557155985 /nfs/dbraw/zinc/15/59/85/557155985.db2.gz YBDNGGOAVCTXOD-UHFFFAOYSA-N 0 0 446.878 3.938 50 0 IHAARN CN1CCN(C(=O)c2nn3c(nc4c(c3C(F)(F)F)CCc3ccccc3-4)c2Cl)CC1 ZINC000095531944 557157883 /nfs/dbraw/zinc/15/78/83/557157883.db2.gz BFKCZWLVMMEVJI-UHFFFAOYSA-N 0 0 449.864 3.555 50 0 IHAARN CCN(CCO)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000024671464 557158377 /nfs/dbraw/zinc/15/83/77/557158377.db2.gz YQXJQGXIYPQRHO-UHFFFAOYSA-N 0 0 435.977 3.785 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)CCn1nnc2ccccc21 ZINC000024704949 557159079 /nfs/dbraw/zinc/15/90/79/557159079.db2.gz NSYXYVUIOUCOJQ-UHFFFAOYSA-N 0 0 430.917 3.807 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)C(C)C ZINC000011534264 557160267 /nfs/dbraw/zinc/16/02/67/557160267.db2.gz FXAUMYVIKCFXEC-QFIPXVFZSA-N 0 0 433.508 3.911 50 0 IHAARN CCOC(=O)Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1Cc1ccccc1 ZINC000024716355 557160501 /nfs/dbraw/zinc/16/05/01/557160501.db2.gz VEZNAQXUZVBDSE-UHFFFAOYSA-N 0 0 444.944 3.816 50 0 IHAARN CCOc1cc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cc(OCC)c1OCC ZINC000206834933 557165983 /nfs/dbraw/zinc/16/59/83/557165983.db2.gz XKFFIQWBSVLOAV-MRXNPFEDSA-N 0 0 433.574 3.986 50 0 IHAARN O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000206947567 557166819 /nfs/dbraw/zinc/16/68/19/557166819.db2.gz URPQEAZPHLWMMM-UHFFFAOYSA-N 0 0 427.551 3.525 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000024776548 557167004 /nfs/dbraw/zinc/16/70/04/557167004.db2.gz WILXJBHDHSPXJC-UHFFFAOYSA-N 0 0 426.542 3.798 50 0 IHAARN Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)o1 ZINC000206969472 557168162 /nfs/dbraw/zinc/16/81/62/557168162.db2.gz INBBVKNXLKIYLB-IBGZPJMESA-N 0 0 429.469 3.596 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 ZINC000206985480 557168430 /nfs/dbraw/zinc/16/84/30/557168430.db2.gz RILSWBUGURPGEC-GQCTYLIASA-N 0 0 434.521 3.732 50 0 IHAARN Cn1c(=O)oc2ccc(S(=O)(=O)N3CCS[C@H](c4ccccc4Cl)CC3)cc21 ZINC000207001758 557170358 /nfs/dbraw/zinc/17/03/58/557170358.db2.gz ZDWXGQJCLCPHIS-SFHVURJKSA-N 0 0 438.958 3.654 50 0 IHAARN O[C@@H](COc1cccc2ccccc21)Cn1nnc(-c2ccccc2Br)n1 ZINC000024831621 557170588 /nfs/dbraw/zinc/17/05/88/557170588.db2.gz DZUHQCODRATGHZ-OAHLLOKOSA-N 0 0 425.286 3.696 50 0 IHAARN CC(C)c1ccc([C@H](NC(=O)Cn2nnn(-c3cccs3)c2=O)c2cccs2)cc1 ZINC000024840021 557173132 /nfs/dbraw/zinc/17/31/32/557173132.db2.gz GCLCDLOVZHVFEC-FQEVSTJZSA-N 0 0 439.566 3.581 50 0 IHAARN O=C(COC(=O)c1ccccc1CSC1=NCCS1)NCCCc1ccccc1 ZINC000024876632 557176271 /nfs/dbraw/zinc/17/62/71/557176271.db2.gz ZTPBLBYOIQYPBR-UHFFFAOYSA-N 0 0 428.579 3.928 50 0 IHAARN COc1ccccc1-c1cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)on1 ZINC000024877163 557176292 /nfs/dbraw/zinc/17/62/92/557176292.db2.gz MZSMTUACYVISNW-UHFFFAOYSA-N 0 0 431.539 3.822 50 0 IHAARN CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1 ZINC000009095957 557181847 /nfs/dbraw/zinc/18/18/47/557181847.db2.gz BOQVXNCJUDGUSG-UHFFFAOYSA-N 0 0 426.527 3.709 50 0 IHAARN Cc1nc2c3ccccc3nc(SCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)n2n1 ZINC000024966008 557183075 /nfs/dbraw/zinc/18/30/75/557183075.db2.gz ZIABVLCSWQSZCA-UHFFFAOYSA-N 0 0 443.536 3.522 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000024969693 557183746 /nfs/dbraw/zinc/18/37/46/557183746.db2.gz ICTPANJVDVQHDY-UHFFFAOYSA-N 0 0 426.432 3.573 50 0 IHAARN Cc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000024971309 557183754 /nfs/dbraw/zinc/18/37/54/557183754.db2.gz CHFPGLDLHLLFEH-UHFFFAOYSA-N 0 0 436.419 3.595 50 0 IHAARN CCOCCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011558506 557183906 /nfs/dbraw/zinc/18/39/06/557183906.db2.gz VKZZAFBIMZIVPQ-LJQANCHMSA-N 0 0 432.521 3.693 50 0 IHAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000024978202 557184943 /nfs/dbraw/zinc/18/49/43/557184943.db2.gz DPKTWNXDAILQIN-MRXNPFEDSA-N 0 0 442.562 3.901 50 0 IHAARN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302720 557185353 /nfs/dbraw/zinc/18/53/53/557185353.db2.gz LGWMHFMKHJKZDM-UHFFFAOYSA-N 0 0 444.586 3.954 50 0 IHAARN CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009302752 557185390 /nfs/dbraw/zinc/18/53/90/557185390.db2.gz IAPPQTXXLGOXJC-GFCCVEGCSA-N 0 0 430.559 3.898 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000024988443 557187075 /nfs/dbraw/zinc/18/70/75/557187075.db2.gz ZIWANFBTKICHAR-UHFFFAOYSA-N 0 0 444.538 3.639 50 0 IHAARN CCSc1nnc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)s1 ZINC000097994249 557187616 /nfs/dbraw/zinc/18/76/16/557187616.db2.gz AAWIGVZHQOPUBI-SDNWHVSQSA-N 0 0 425.499 3.533 50 0 IHAARN O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1ccc(Br)cc1 ZINC000024991289 557187674 /nfs/dbraw/zinc/18/76/74/557187674.db2.gz MULGNHXEVALLEM-LBPRGKRZSA-N 0 0 444.112 3.906 50 0 IHAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000025062744 557193676 /nfs/dbraw/zinc/19/36/76/557193676.db2.gz QIDSLLBLIABCAW-IBGZPJMESA-N 0 0 449.532 3.600 50 0 IHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100876422 557197668 /nfs/dbraw/zinc/19/76/68/557197668.db2.gz YHYJDAAJMBNWAU-LCUIJRPUSA-N 0 0 448.475 3.987 50 0 IHAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000096317327 557199110 /nfs/dbraw/zinc/19/91/10/557199110.db2.gz XLKBMNWIBQXHIF-JOCHJYFZSA-N 0 0 436.600 3.568 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)NN(Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000100896244 557199311 /nfs/dbraw/zinc/19/93/11/557199311.db2.gz SOIABYWLHAPPRM-SMIHKQSGSA-N 0 0 427.504 3.705 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC000025266031 557201789 /nfs/dbraw/zinc/20/17/89/557201789.db2.gz JNRXJPMGFVDUIJ-UHFFFAOYSA-N 0 0 433.883 3.882 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOc2ccccc21 ZINC000025312736 557203524 /nfs/dbraw/zinc/20/35/24/557203524.db2.gz IJCXHIDIZYBPOI-UHFFFAOYSA-N 0 0 426.469 3.595 50 0 IHAARN CC(=O)N1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000025329384 557204574 /nfs/dbraw/zinc/20/45/74/557204574.db2.gz GWIFFRCONHCAFV-NRFANRHFSA-N 0 0 437.367 3.624 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC(F)F)c(OC)c2)c1C ZINC000013985072 557204820 /nfs/dbraw/zinc/20/48/20/557204820.db2.gz GHDCKOCMQKGCAB-LBPRGKRZSA-N 0 0 439.411 3.846 50 0 IHAARN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2cnccn2)CC1 ZINC000025344253 557205304 /nfs/dbraw/zinc/20/53/04/557205304.db2.gz VKDRJCDBFIFGSK-UHFFFAOYSA-N 0 0 429.455 3.900 50 0 IHAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1OCC(F)(F)F ZINC000025351153 557205684 /nfs/dbraw/zinc/20/56/84/557205684.db2.gz FWKHAMAJRHXZTQ-NSHDSACASA-N 0 0 448.492 3.801 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)NC(C)C)nnc2-c2cccc(OC)c2)cc1 ZINC000025390307 557207396 /nfs/dbraw/zinc/20/73/96/557207396.db2.gz NIRDJSFUUVHXFZ-UHFFFAOYSA-N 0 0 426.542 3.958 50 0 IHAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000011603830 557207957 /nfs/dbraw/zinc/20/79/57/557207957.db2.gz NCZUHGCVHXJPBF-UHFFFAOYSA-N 0 0 434.905 3.926 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000011613150 557208850 /nfs/dbraw/zinc/20/88/50/557208850.db2.gz SBGTUILQGBLROH-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN COCCn1c(=S)n(CN2CCN(c3ccccn3)CC2)nc1-c1ccc(Cl)cc1 ZINC000025427115 557209536 /nfs/dbraw/zinc/20/95/36/557209536.db2.gz AHOPAKWEBSPXKY-UHFFFAOYSA-N 0 0 444.992 3.556 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1sccc1-c1ccccc1 ZINC000010986858 557211538 /nfs/dbraw/zinc/21/15/38/557211538.db2.gz WWKZLQSPFMMLTR-UHFFFAOYSA-N 0 0 438.505 3.644 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1OC ZINC000100994685 557212041 /nfs/dbraw/zinc/21/20/41/557212041.db2.gz PXSJQVJGJHFENU-XJUOHMSHSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000025520067 557212656 /nfs/dbraw/zinc/21/26/56/557212656.db2.gz NUHASIXPCQVDFP-UHFFFAOYSA-N 0 0 426.542 3.551 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1C ZINC000025561364 557214857 /nfs/dbraw/zinc/21/48/57/557214857.db2.gz NXFSOXIROXKXKM-UHFFFAOYSA-N 0 0 427.595 3.933 50 0 IHAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000025609048 557219105 /nfs/dbraw/zinc/21/91/05/557219105.db2.gz SYSJFMOJIDXMLF-QHCPKHFHSA-N 0 0 448.542 3.924 50 0 IHAARN COc1cc(C)c(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1OC ZINC000011644123 557219250 /nfs/dbraw/zinc/21/92/50/557219250.db2.gz UKTZEUBNFSNMAJ-UHFFFAOYSA-N 0 0 437.473 3.642 50 0 IHAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Cc2cccc(OC)c2)cc1 ZINC000032949260 557221973 /nfs/dbraw/zinc/22/19/73/557221973.db2.gz CTFVHKWVKNKQRB-NRFANRHFSA-N 0 0 433.504 3.945 50 0 biogenic IHAARN COc1ccc(N(CCC(=O)N[C@@H](C)C2CC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000025771251 557225122 /nfs/dbraw/zinc/22/51/22/557225122.db2.gz ZRGHOVXXLMDPPJ-SFHVURJKSA-N 0 0 430.570 3.812 50 0 IHAARN COc1cc(-c2nnc(COC(=O)Cc3c(F)cccc3Cl)o2)cc(OC)c1OC ZINC000011028343 557226609 /nfs/dbraw/zinc/22/66/09/557226609.db2.gz OUCQCGHYZUUQJL-UHFFFAOYSA-N 0 0 436.823 3.841 50 0 IHAARN Cc1nn(-c2ccc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cc2)c(C)c1Cl ZINC000025815524 557227386 /nfs/dbraw/zinc/22/73/86/557227386.db2.gz SRCJLXUHTDWGEH-GOSISDBHSA-N 0 0 447.944 3.565 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(C)C(=S)N[C@@H]2c2ccc(F)c(Br)c2)no1 ZINC000011204620 557227763 /nfs/dbraw/zinc/22/77/63/557227763.db2.gz HCOTWBOMWWFUKN-OAHLLOKOSA-N 0 0 439.310 3.658 50 0 IHAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000011253245 557227798 /nfs/dbraw/zinc/22/77/98/557227798.db2.gz BVJJUBABYIHNMV-UHFFFAOYSA-N 0 0 440.487 3.996 50 0 IHAARN CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000025898404 557229463 /nfs/dbraw/zinc/22/94/63/557229463.db2.gz CPZISKIRSLJRRS-OAQYLSRUSA-N 0 0 426.563 3.834 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000011528018 557229795 /nfs/dbraw/zinc/22/97/95/557229795.db2.gz ZKSKRFYDORXBHK-WMLDXEAASA-N 0 0 437.993 3.873 50 0 IHAARN Cc1nc(NC(=O)CCNC(=O)NC2CCCCC2)sc1-c1nccn1C(F)F ZINC000025996714 557231902 /nfs/dbraw/zinc/23/19/02/557231902.db2.gz SLEJPOGQIWGKNP-UHFFFAOYSA-N 0 0 426.493 3.671 50 0 IHAARN O=C(CSCc1cc(=O)n2ccsc2n1)NCCSc1ccc(Cl)cc1 ZINC000026073862 557233593 /nfs/dbraw/zinc/23/35/93/557233593.db2.gz OWBOWVBWPTUSTM-UHFFFAOYSA-N 0 0 425.988 3.551 50 0 IHAARN C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018047784 557233672 /nfs/dbraw/zinc/23/36/72/557233672.db2.gz LGHGUBQBEKSQHP-OAHLLOKOSA-N 0 0 441.329 3.632 50 0 IHAARN Cc1ncoc1C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000011661541 557234318 /nfs/dbraw/zinc/23/43/18/557234318.db2.gz IWAHBOSTGJGQQP-UHFFFAOYSA-N 0 0 433.508 3.639 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)c1 ZINC000026121646 557235179 /nfs/dbraw/zinc/23/51/79/557235179.db2.gz ZSDCRMDNNVQYNP-UHFFFAOYSA-N 0 0 436.556 3.855 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)n[nH]2)cc1 ZINC000098212558 557235675 /nfs/dbraw/zinc/23/56/75/557235675.db2.gz INRWSAHEUNGPPQ-UHFFFAOYSA-N 0 0 428.895 3.769 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(Br)c4)CC3)n[nH]2)cc1 ZINC000098212557 557235754 /nfs/dbraw/zinc/23/57/54/557235754.db2.gz VIXPQARUTPQFEN-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)n[nH]2)cc1 ZINC000098212551 557235767 /nfs/dbraw/zinc/23/57/67/557235767.db2.gz RNXSWHVCXUTVJV-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000018097981 557236689 /nfs/dbraw/zinc/23/66/89/557236689.db2.gz JYKHCZXIQIKLBM-QHAWAJNXSA-N 0 0 448.500 3.894 50 0 IHAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000032950479 557236826 /nfs/dbraw/zinc/23/68/26/557236826.db2.gz CKJXLIMLHKVNSY-UHFFFAOYSA-N 0 0 428.558 3.727 50 0 IHAARN O=C(CN1C(=O)COc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110745 557237628 /nfs/dbraw/zinc/23/76/28/557237628.db2.gz LUKUBTFTVTYKFY-UHFFFAOYSA-N 0 0 438.487 3.581 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000026434218 557241048 /nfs/dbraw/zinc/24/10/48/557241048.db2.gz HFKJRUAMQMOMFX-UHFFFAOYSA-N 0 0 440.452 3.821 50 0 IHAARN Cc1cc(C(=O)CN(C)Cc2c(F)cccc2Cl)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000026481471 557242615 /nfs/dbraw/zinc/24/26/15/557242615.db2.gz OVFLWJHARHMZOO-OAHLLOKOSA-N 0 0 426.941 3.572 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000100155047 557244041 /nfs/dbraw/zinc/24/40/41/557244041.db2.gz FYADZYKKODARKU-LJQANCHMSA-N 0 0 449.532 3.594 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000026539213 557244183 /nfs/dbraw/zinc/24/41/83/557244183.db2.gz AQCCZUNPTPDIEN-UHFFFAOYSA-N 0 0 426.513 3.561 50 0 IHAARN COc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1OCc1ccccc1 ZINC000018160851 557244337 /nfs/dbraw/zinc/24/43/37/557244337.db2.gz IMLGUGTWLZHULK-FQEVSTJZSA-N 0 0 434.492 3.532 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000018157643 557244474 /nfs/dbraw/zinc/24/44/74/557244474.db2.gz VXAJHUMQKGRMFV-HDICACEKSA-N 0 0 444.597 3.648 50 0 IHAARN O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000018187663 557246023 /nfs/dbraw/zinc/24/60/23/557246023.db2.gz VXCLYNXHHVLCPH-ASDGIDEWSA-N 0 0 448.522 3.997 50 0 IHAARN O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCSc1ccccc1 ZINC000026779282 557248078 /nfs/dbraw/zinc/24/80/78/557248078.db2.gz ZXYPVKBIEISUGM-UHFFFAOYSA-N 0 0 437.565 3.543 50 0 IHAARN CC(C)OCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604405517 557248916 /nfs/dbraw/zinc/24/89/16/557248916.db2.gz PCMHIDULHWXNQM-HSZRJFAPSA-N 0 0 435.524 3.513 50 0 biogenic IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)c(OC)c1 ZINC000604418777 557250711 /nfs/dbraw/zinc/25/07/11/557250711.db2.gz BFIUPYOSWBIRQG-NRFANRHFSA-N 0 0 434.492 3.948 50 0 IHAARN Cn1ccc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)ccc21 ZINC000604419550 557251540 /nfs/dbraw/zinc/25/15/40/557251540.db2.gz BZXKVOMHEICMOA-DEOSSOPVSA-N 0 0 436.471 3.932 50 0 IHAARN Cc1csc2nc(CN(Cc3ccco3)Cc3ccc(C(=O)NC4CC4)cc3)cc(=O)n12 ZINC000026926690 557251693 /nfs/dbraw/zinc/25/16/93/557251693.db2.gz MAAPZWJXIJCYTF-UHFFFAOYSA-N 0 0 448.548 3.752 50 0 IHAARN O=C(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCc2ccccc2C1 ZINC000026926519 557251754 /nfs/dbraw/zinc/25/17/54/557251754.db2.gz YDAPOCAJQSGBDL-UHFFFAOYSA-N 0 0 443.547 3.759 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000026963175 557252520 /nfs/dbraw/zinc/25/25/20/557252520.db2.gz NIEFVEHXFIPNGQ-UHFFFAOYSA-N 0 0 435.476 3.795 50 0 IHAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000018223044 557253012 /nfs/dbraw/zinc/25/30/12/557253012.db2.gz YGJBABVEHOGTJM-RQWLHQTBSA-N 0 0 425.536 3.965 50 0 IHAARN C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000026991998 557253561 /nfs/dbraw/zinc/25/35/61/557253561.db2.gz NRSLRHDRQPVHST-OAHLLOKOSA-N 0 0 430.936 3.962 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000026987506 557253619 /nfs/dbraw/zinc/25/36/19/557253619.db2.gz WFDBKOBCIVRZGL-UHFFFAOYSA-N 0 0 438.933 3.830 50 0 IHAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3C(=O)c3ccc4c(c3)OCCO4)cc12 ZINC000027094939 557256954 /nfs/dbraw/zinc/25/69/54/557256954.db2.gz CXFGLSSJDQIJIT-UHFFFAOYSA-N 0 0 428.448 3.531 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000000817240 557258227 /nfs/dbraw/zinc/25/82/27/557258227.db2.gz FOUYHXSMRRJVPO-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)n2C[C@@H]2CCCO2)cc1 ZINC000027205057 557258862 /nfs/dbraw/zinc/25/88/62/557258862.db2.gz GCBBYLMOTGNINC-QAPCUYQASA-N 0 0 442.541 3.695 50 0 IHAARN CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)OC)C1=O ZINC000101129954 557261333 /nfs/dbraw/zinc/26/13/33/557261333.db2.gz JCQQDPGNECHNEP-INIZCTEOSA-N 0 0 447.534 3.698 50 0 IHAARN COC(=O)c1sccc1NC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000032953937 557262050 /nfs/dbraw/zinc/26/20/50/557262050.db2.gz LJDYGVZESZICHU-UHFFFAOYSA-N 0 0 426.498 3.872 50 0 IHAARN O=C1C[C@H](Nc2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000100513582 557263358 /nfs/dbraw/zinc/26/33/58/557263358.db2.gz KCKKJVPHCQUOBE-AWEZNQCLSA-N 0 0 426.641 3.689 50 0 IHAARN COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F ZINC000027541878 557264824 /nfs/dbraw/zinc/26/48/24/557264824.db2.gz HNMIHFZXSTXRKC-OAHLLOKOSA-N 0 0 439.453 3.998 50 0 IHAARN O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(SC(F)F)cc1 ZINC000100618910 557265985 /nfs/dbraw/zinc/26/59/85/557265985.db2.gz YICWZNQWROIGLS-SFHVURJKSA-N 0 0 433.480 3.582 50 0 IHAARN COc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281801 557266984 /nfs/dbraw/zinc/26/69/84/557266984.db2.gz GGLVWWUEUPAEBL-UHFFFAOYSA-N 0 0 438.487 3.800 50 0 biogenic IHAARN CC1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000027624244 557267630 /nfs/dbraw/zinc/26/76/30/557267630.db2.gz JRDODFIDQXGDES-UHFFFAOYSA-N 0 0 426.888 3.722 50 0 IHAARN CC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@@H]1c1ccc(Cl)cc1 ZINC000000821706 557268054 /nfs/dbraw/zinc/26/80/54/557268054.db2.gz LXSHMVZWNQKNGG-RBBKRZOGSA-N 0 0 429.973 3.651 50 0 IHAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000000822136 557268534 /nfs/dbraw/zinc/26/85/34/557268534.db2.gz CERQWEFTXOUWJR-UHFFFAOYSA-N 0 0 446.706 3.770 50 0 IHAARN COc1ccc(-c2nsc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000027664647 557270567 /nfs/dbraw/zinc/27/05/67/557270567.db2.gz AELSEWMMADWPHW-UHFFFAOYSA-N 0 0 431.470 3.500 50 0 IHAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000027671779 557270941 /nfs/dbraw/zinc/27/09/41/557270941.db2.gz IFROTYFDYYONHN-HNNXBMFYSA-N 0 0 443.883 3.822 50 0 IHAARN COc1cc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1Br ZINC000022889258 557271895 /nfs/dbraw/zinc/27/18/95/557271895.db2.gz AEYPTNIZYIZRAD-UHFFFAOYSA-N 0 0 444.289 3.707 50 0 IHAARN O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027745977 557272483 /nfs/dbraw/zinc/27/24/83/557272483.db2.gz XCXDTLZWDYHKME-INIZCTEOSA-N 0 0 446.327 3.727 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(CNc2c(=O)c(=O)c2NC2CCCCC2)cc1 ZINC000101320011 557273191 /nfs/dbraw/zinc/27/31/91/557273191.db2.gz YQOKOIOURIMOHB-UHFFFAOYSA-N 0 0 431.536 3.612 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000027792613 557274177 /nfs/dbraw/zinc/27/41/77/557274177.db2.gz VIEAFRCCDMGIIE-SFHVURJKSA-N 0 0 434.540 3.824 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000022973642 557275533 /nfs/dbraw/zinc/27/55/33/557275533.db2.gz YCBAVHOUWAECBP-UHFFFAOYSA-N 0 0 427.888 3.684 50 0 IHAARN CSCC[C@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101404530 557283147 /nfs/dbraw/zinc/28/31/47/557283147.db2.gz IYFQDVNDMFWUTK-IJEWVQPXSA-N 0 0 432.567 3.636 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000101628511 557293387 /nfs/dbraw/zinc/29/33/87/557293387.db2.gz XLWCULIVXYZZJH-OALUTQOASA-N 0 0 444.528 3.919 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)s1 ZINC000031685518 557294118 /nfs/dbraw/zinc/29/41/18/557294118.db2.gz NOFFWUFCQJEWFD-UHFFFAOYSA-N 0 0 426.523 3.933 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)cc1OC(C)C ZINC000031811147 557294123 /nfs/dbraw/zinc/29/41/23/557294123.db2.gz GTXODVHFYJKLHE-CQSZACIVSA-N 0 0 433.472 3.766 50 0 IHAARN CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000101802378 557298981 /nfs/dbraw/zinc/29/89/81/557298981.db2.gz JSGZCMBVRCWEEQ-UHFFFAOYSA-N 0 0 437.887 3.625 50 0 IHAARN Cc1cccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccccc4)nn3c2=O)c1C ZINC000101834548 557301436 /nfs/dbraw/zinc/30/14/36/557301436.db2.gz BDBPAKFWYKRETQ-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccccc1 ZINC000014095625 557302825 /nfs/dbraw/zinc/30/28/25/557302825.db2.gz CUNDPUFTRZXXPP-UHFFFAOYSA-N 0 0 440.496 3.766 50 0 IHAARN Cc1cc2c(cc1C)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945894 557308180 /nfs/dbraw/zinc/30/81/80/557308180.db2.gz ZWLWDBRHLSAHDA-OAQYLSRUSA-N 0 0 430.552 3.871 50 0 IHAARN CC(C)c1ccccc1OC[C@H](O)Cn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 ZINC000101980748 557309830 /nfs/dbraw/zinc/30/98/30/557309830.db2.gz JTRVEBPSCDDFAJ-HXUWFJFHSA-N 0 0 430.504 3.865 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 ZINC000049410745 557311872 /nfs/dbraw/zinc/31/18/72/557311872.db2.gz BRUQQQYOSALEEY-UHFFFAOYSA-N 0 0 434.475 3.646 50 0 IHAARN O=C1CCC[C@]2(O)[C@H]1[C@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 ZINC000102133160 557313294 /nfs/dbraw/zinc/31/32/94/557313294.db2.gz WZFPULSDAOVPET-DYXWJJEUSA-N 0 0 429.314 3.773 50 0 IHAARN CC(C)[C@@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000032670206 557313672 /nfs/dbraw/zinc/31/36/72/557313672.db2.gz MEMVQXHMNQQBSN-OAHLLOKOSA-N 0 0 448.658 3.655 50 0 IHAARN O=C(Nc1cccc(I)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024433073 557317236 /nfs/dbraw/zinc/31/72/36/557317236.db2.gz VCIMOVYXJAJAFS-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Br ZINC000024106252 557322772 /nfs/dbraw/zinc/32/27/72/557322772.db2.gz RKYIDIJLHHCHEV-CYBMUJFWSA-N 0 0 446.388 3.889 50 0 IHAARN CCc1cccc(C)c1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1 ZINC000033062963 557323412 /nfs/dbraw/zinc/32/34/12/557323412.db2.gz BTIMYEDXAHGOOF-UHFFFAOYSA-N 0 0 431.489 3.625 50 0 IHAARN Cn1c2cc(NC(=O)c3cccc(Cl)c3)c(Oc3ccccc3)cc2n(C)c(=O)c1=O ZINC000033265676 557328213 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3.793 50 0 IHAARN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1ccco1 ZINC000023438930 557357377 /nfs/dbraw/zinc/35/73/77/557357377.db2.gz CFFLAAUKUISDMX-UHFFFAOYSA-N 0 0 440.399 3.909 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1cc(F)ccc1F ZINC000023482468 557364305 /nfs/dbraw/zinc/36/43/05/557364305.db2.gz ICTYUMFWLHPDMJ-UHFFFAOYSA-N 0 0 439.345 3.944 50 0 IHAARN Cc1nc(C2(NC(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CCCCC2)no1 ZINC000023508163 557364494 /nfs/dbraw/zinc/36/44/94/557364494.db2.gz ATSIAONTYWDGHU-UHFFFAOYSA-N 0 0 443.507 3.975 50 0 IHAARN CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000023515572 557364636 /nfs/dbraw/zinc/36/46/36/557364636.db2.gz PESKMSBMBMVMFV-ZDUSSCGKSA-N 0 0 433.020 3.714 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102684303 557368558 /nfs/dbraw/zinc/36/85/58/557368558.db2.gz HTXFPJPGGJPTLZ-GUDVDZBRSA-N 0 0 432.307 3.538 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000014683192 557369520 /nfs/dbraw/zinc/36/95/20/557369520.db2.gz VPXDYCHLKFLWKP-IBGZPJMESA-N 0 0 436.537 3.670 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023736664 557372551 /nfs/dbraw/zinc/37/25/51/557372551.db2.gz OPAHKWWDXZLQEZ-UHFFFAOYSA-N 0 0 427.599 3.712 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccsc1 ZINC000102746359 557378603 /nfs/dbraw/zinc/37/86/03/557378603.db2.gz JKWODYCYGCLTJF-QFBILLFUSA-N 0 0 447.582 3.571 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c(OC)c1OC ZINC000102793824 557388443 /nfs/dbraw/zinc/38/84/43/557388443.db2.gz PBOCLYDLTGYJMB-HNNXBMFYSA-N 0 0 444.289 3.517 50 0 IHAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)cc1OC ZINC000011694902 557392217 /nfs/dbraw/zinc/39/22/17/557392217.db2.gz QXSDTSZGRXHZRE-CAYVGHNUSA-N 0 0 441.919 3.997 50 0 IHAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000011695542 557393232 /nfs/dbraw/zinc/39/32/32/557393232.db2.gz 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O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000103014760 557416358 /nfs/dbraw/zinc/41/63/58/557416358.db2.gz ORAGLOOZRWYGIC-ZEVJAHDQSA-N 0 0 427.479 3.888 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(C)cs1 ZINC000103056213 557417010 /nfs/dbraw/zinc/41/70/10/557417010.db2.gz ZRMZOYIOTDZDBP-INIZCTEOSA-N 0 0 442.522 3.991 50 0 IHAARN Cc1nn(C)c2nc(C)cc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCCCC3)c12 ZINC000024496349 557434704 /nfs/dbraw/zinc/43/47/04/557434704.db2.gz PEDNKOJQOHUCSH-UHFFFAOYSA-N 0 0 429.565 3.933 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000103511952 557438160 /nfs/dbraw/zinc/43/81/60/557438160.db2.gz BNCRVEMSACYJEW-KIHHCIJBSA-N 0 0 435.483 3.757 50 0 IHAARN O=C(Nc1ccccc1O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016606456 557441796 /nfs/dbraw/zinc/44/17/96/557441796.db2.gz JTANOCOZQPCVJA-UHFFFAOYSA-N 0 0 429.325 3.738 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1=O ZINC000014780685 557449864 /nfs/dbraw/zinc/44/98/64/557449864.db2.gz IMQLUPIBLDAHID-UHFFFAOYSA-N 0 0 432.446 3.988 50 0 IHAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104099892 557450068 /nfs/dbraw/zinc/45/00/68/557450068.db2.gz ZZKURXAWZTXLPO-ZIAGYGMSSA-N 0 0 446.910 3.502 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1OC ZINC000051318017 557469605 /nfs/dbraw/zinc/46/96/05/557469605.db2.gz YXYMBRXNYGQXSZ-LBPRGKRZSA-N 0 0 445.317 3.846 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c1 ZINC000085737264 557492255 /nfs/dbraw/zinc/49/22/55/557492255.db2.gz XNMFNTFXEQWNRI-KRWDZBQOSA-N 0 0 448.548 3.786 50 0 IHAARN O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000046896384 557512959 /nfs/dbraw/zinc/51/29/59/557512959.db2.gz UGGBCGVFQRHIKT-ZIAGYGMSSA-N 0 0 438.899 3.542 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914734 557513844 /nfs/dbraw/zinc/51/38/44/557513844.db2.gz MJPQIDGMCDHLAD-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000047146908 557518007 /nfs/dbraw/zinc/51/80/07/557518007.db2.gz ZPMUFXIDLFAKTD-UHFFFAOYSA-N 0 0 441.557 3.764 50 0 IHAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019962191 557522710 /nfs/dbraw/zinc/52/27/10/557522710.db2.gz QXYUIXXNJGZQCD-DEOSSOPVSA-N 0 0 438.531 3.916 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)o1 ZINC000012050733 557525442 /nfs/dbraw/zinc/52/54/42/557525442.db2.gz QMHOPYTZNFJGEB-SNVBAGLBSA-N 0 0 442.522 3.724 50 0 IHAARN O=C1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)[C@@H]2C=CC=C[C@@H]2N1 ZINC000107526538 557536479 /nfs/dbraw/zinc/53/64/79/557536479.db2.gz QIFJOGLQNDMZEU-RBUKOAKNSA-N 0 0 433.309 3.859 50 0 IHAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000044840158 557539098 /nfs/dbraw/zinc/53/90/98/557539098.db2.gz QDUSUYHKTKZCBK-LBPRGKRZSA-N 0 0 448.292 3.675 50 0 IHAARN O=C1C[C@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000044903508 557540432 /nfs/dbraw/zinc/54/04/32/557540432.db2.gz IZOPZSDLGDGVFP-OAQYLSRUSA-N 0 0 436.265 3.824 50 0 IHAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccc2c(c1)OCCCO2 ZINC000044920570 557540934 /nfs/dbraw/zinc/54/09/34/557540934.db2.gz MVMSGEYRYMOCRU-UHFFFAOYSA-N 0 0 441.281 3.717 50 0 IHAARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C(C(=O)OC)=C(C)N2 ZINC000044973643 557541978 /nfs/dbraw/zinc/54/19/78/557541978.db2.gz YYSVDTKWYJAMDO-CYBMUJFWSA-N 0 0 436.331 3.649 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000109069691 557545645 /nfs/dbraw/zinc/54/56/45/557545645.db2.gz BZJWQUOOALCTGW-MSOLQXFVSA-N 0 0 437.590 3.863 50 0 IHAARN CCOCCOC(=O)c1nc2ccccc2nc1Nc1cc(OC)c(OC)c(OC)c1 ZINC000045901281 557546703 /nfs/dbraw/zinc/54/67/03/557546703.db2.gz QUCFZECKRPIRQT-UHFFFAOYSA-N 0 0 427.457 3.593 50 0 IHAARN COc1cc(C(=O)Nc2cc3c(cc2SC(C)C)n(C)c(=O)n3C)cc(OC)c1OC ZINC000045940795 557549352 /nfs/dbraw/zinc/54/93/52/557549352.db2.gz YTGCEEHQSPFILX-UHFFFAOYSA-N 0 0 445.541 3.656 50 0 IHAARN CC(C)c1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NCc4ccccc4)n3n2)cc1 ZINC000045925656 557550337 /nfs/dbraw/zinc/55/03/37/557550337.db2.gz KURJYMICCBOITR-UHFFFAOYSA-N 0 0 433.537 3.617 50 0 IHAARN Cc1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)cc1F ZINC000045960693 557554591 /nfs/dbraw/zinc/55/45/91/557554591.db2.gz UTWQSPIAPCJNFU-UHFFFAOYSA-N 0 0 441.528 3.838 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCCC1)C(=O)CS2 ZINC000045960787 557554865 /nfs/dbraw/zinc/55/48/65/557554865.db2.gz DCSKXDIIEBBBBJ-UHFFFAOYSA-N 0 0 431.602 3.836 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1Cl)C(=O)CS2 ZINC000045960776 557554869 /nfs/dbraw/zinc/55/48/69/557554869.db2.gz QGCXPJKVDCEDII-UHFFFAOYSA-N 0 0 431.945 3.899 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCN(c3ncncc3Cl)CC2)c1)C1CCCCC1 ZINC000225384717 557716993 /nfs/dbraw/zinc/71/69/93/557716993.db2.gz JYUPIMUNTUMAJG-UHFFFAOYSA-N 0 0 427.936 3.611 50 0 IHAARN Fc1cccc([C@H](CNc2nc(C(Cl)(Cl)Cl)ns2)N2CCOCC2)c1 ZINC000225388109 557717397 /nfs/dbraw/zinc/71/73/97/557717397.db2.gz CJWDAMQZPOWYNB-LBPRGKRZSA-N 0 0 425.744 3.989 50 0 IHAARN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000225498801 557730542 /nfs/dbraw/zinc/73/05/42/557730542.db2.gz WIIBROZLUUBBMO-UHFFFAOYSA-N 0 0 430.426 3.600 50 0 IHAARN C[C@@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000225508599 557732186 /nfs/dbraw/zinc/73/21/86/557732186.db2.gz LLFGCRDSXLFUCR-RUZDIDTESA-N 0 0 442.475 3.574 50 0 IHAARN C[C@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000225508566 557732190 /nfs/dbraw/zinc/73/21/90/557732190.db2.gz LLFGCRDSXLFUCR-VWLOTQADSA-N 0 0 442.475 3.574 50 0 IHAARN Cc1cc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000225532826 557737618 /nfs/dbraw/zinc/73/76/18/557737618.db2.gz NYNRGYDSDATADP-QUGAMOGWSA-N 0 0 444.535 3.699 50 0 IHAARN CN(CC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1)S(=O)(=O)c1cccnc1 ZINC000225592746 557748973 /nfs/dbraw/zinc/74/89/73/557748973.db2.gz MAOAZHBPLSVJSW-NRFANRHFSA-N 0 0 435.977 3.745 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000225612676 557751940 /nfs/dbraw/zinc/75/19/40/557751940.db2.gz TVNXOWAULKEXQH-SFHVURJKSA-N 0 0 430.867 3.600 50 0 IHAARN CCn1ccnc1CN(C(=O)c1ccccn1)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669207 557760100 /nfs/dbraw/zinc/76/01/00/557760100.db2.gz PFSWZMPOIGVUCZ-LJQANCHMSA-N 0 0 439.560 3.730 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)ccc1C ZINC000225727726 557769604 /nfs/dbraw/zinc/76/96/04/557769604.db2.gz AQONACAUCWPLRP-FCHUYYIVSA-N 0 0 432.586 3.514 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1(C)C ZINC000225773552 557775788 /nfs/dbraw/zinc/77/57/88/557775788.db2.gz XZNXBRWNALAXBS-OAHLLOKOSA-N 0 0 434.562 3.883 50 0 IHAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000000858354 557831632 /nfs/dbraw/zinc/83/16/32/557831632.db2.gz CAOIKVCYBDFTHC-OAQYLSRUSA-N 0 0 437.521 3.678 50 0 aggregator IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229590716 557832763 /nfs/dbraw/zinc/83/27/63/557832763.db2.gz DYVFDWGLHXSYHP-WVXKDWSHSA-N 0 0 429.561 3.803 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000229881434 557833595 /nfs/dbraw/zinc/83/35/95/557833595.db2.gz DURIVYJWBKVZRM-OKYOBFRVSA-N 0 0 429.303 3.829 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229985763 557834697 /nfs/dbraw/zinc/83/46/97/557834697.db2.gz JYKHCZXIQIKLBM-PWRODBHTSA-N 0 0 448.500 3.894 50 0 IHAARN COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCCC2)cc1 ZINC000000870452 557841473 /nfs/dbraw/zinc/84/14/73/557841473.db2.gz VJEZLJNPPCONMD-UHFFFAOYSA-N 0 0 441.532 3.742 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](CNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000239539162 557844757 /nfs/dbraw/zinc/84/47/57/557844757.db2.gz AVPNJILJPFIILA-YDHLFZDLSA-N 0 0 438.318 3.654 50 0 IHAARN C[C@H](CO)[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000241124158 557846027 /nfs/dbraw/zinc/84/60/27/557846027.db2.gz JGAKNYFJPRJODR-DJSGYFEHSA-N 0 0 425.348 3.857 50 0 IHAARN CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1Cl ZINC000242339365 557847736 /nfs/dbraw/zinc/84/77/36/557847736.db2.gz ZHGAOKDXNKVJMM-UHFFFAOYSA-N 0 0 438.914 3.732 50 0 IHAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccncc4)c3n2)c1 ZINC000000883757 557854551 /nfs/dbraw/zinc/85/45/51/557854551.db2.gz CTKGFCHINYWDMB-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)NCCSCc1ccc(Br)s1 ZINC000018704733 557855208 /nfs/dbraw/zinc/85/52/08/557855208.db2.gz PEGXPZGBTPNQDC-UHFFFAOYSA-N 0 0 441.372 3.858 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O ZINC000025048792 557856691 /nfs/dbraw/zinc/85/66/91/557856691.db2.gz VAGWYLASKNIOKD-LBPRGKRZSA-N 0 0 449.989 3.963 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018890657 557862749 /nfs/dbraw/zinc/86/27/49/557862749.db2.gz KJRMECBDBVHDDI-GOTSBHOMSA-N 0 0 433.552 3.738 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2ccc(OC)cc2)cc1 ZINC000000870033 562919453 /nfs/dbraw/zinc/91/94/53/562919453.db2.gz MEIHFWBAEBWTRG-VXKWHMMOSA-N 0 0 444.578 3.552 50 0 IHAARN COC(=O)[C@@H](Cc1ccc(OC(=O)c2ccccc2C)cc1)N1Cc2ccccc2C1=O ZINC000001383738 562921481 /nfs/dbraw/zinc/92/14/81/562921481.db2.gz IYNYDRQKADRTKE-HSZRJFAPSA-N 0 0 429.472 3.954 50 0 IHAARN Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)COc2ccccc2C)c2ccccc2)cc1 ZINC000002250898 562926633 /nfs/dbraw/zinc/92/66/33/562926633.db2.gz NQMLVCYHYURMMV-SANMLTNESA-N 0 0 431.488 3.966 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002649375 562929217 /nfs/dbraw/zinc/92/92/17/562929217.db2.gz DVMJAPRWDMJBST-UHFFFAOYSA-N 0 0 449.532 3.993 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002651746 562929286 /nfs/dbraw/zinc/92/92/86/562929286.db2.gz DNHSOAZINHLYLJ-ZDUSSCGKSA-N 0 0 427.844 3.747 50 0 IHAARN Cc1noc(C)c1COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000002662088 562929633 /nfs/dbraw/zinc/92/96/33/562929633.db2.gz GHKCHBARNZWDNZ-UHFFFAOYSA-N 0 0 441.465 3.503 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000002927929 562930627 /nfs/dbraw/zinc/93/06/27/562930627.db2.gz QQKLKGNIZOVBHM-WIYYLYMNSA-N 0 0 442.606 3.775 50 0 IHAARN COc1ccc(C(=O)Nn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000002974037 562931339 /nfs/dbraw/zinc/93/13/39/562931339.db2.gz CCLDOUBWTUROOV-UHFFFAOYSA-N 0 0 445.500 3.764 50 0 aggregator IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000003024661 562931831 /nfs/dbraw/zinc/93/18/31/562931831.db2.gz ZAQJILPFCSCLPV-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN COc1cc([C@@H]2C(=O)N(C3CCCC3)CC(=O)N2Cc2ccco2)ccc1OC(C)C ZINC000003039824 562932034 /nfs/dbraw/zinc/93/20/34/562932034.db2.gz GXLZCGCXHSFFJU-HSZRJFAPSA-N 0 0 426.513 3.930 50 0 IHAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1 ZINC000003061684 562932408 /nfs/dbraw/zinc/93/24/08/562932408.db2.gz JEBVPCDMZSKJRC-UHFFFAOYSA-N 0 0 430.570 3.652 50 0 IHAARN COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1 ZINC000003311026 562934083 /nfs/dbraw/zinc/93/40/83/562934083.db2.gz MPYWRQURLVGNED-UHFFFAOYSA-N 0 0 427.464 3.747 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1OC ZINC000003367312 562934933 /nfs/dbraw/zinc/93/49/33/562934933.db2.gz OCPGLEJNYXEPHP-UHFFFAOYSA-N 0 0 447.702 3.575 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003532844 562936354 /nfs/dbraw/zinc/93/63/54/562936354.db2.gz FMTQXCHCCAADGX-QGZVFWFLSA-N 0 0 428.432 3.767 50 0 IHAARN CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(NC(=O)C(C)(C)CO)cc1 ZINC000003923823 562939340 /nfs/dbraw/zinc/93/93/40/562939340.db2.gz OSQAKHSYTKBSPB-UHFFFAOYSA-N 0 0 441.553 3.664 50 0 in-man IHAARN CCSc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCC(F)(F)C(F)F)s1 ZINC000004077878 562941543 /nfs/dbraw/zinc/94/15/43/562941543.db2.gz XVACGDDLEMVDMO-RKDXNWHRSA-N 0 0 429.461 3.839 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000004101387 562941862 /nfs/dbraw/zinc/94/18/62/562941862.db2.gz LODAFZDHXLWANX-UHFFFAOYSA-N 0 0 442.444 3.811 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)C[S@@](=O)C3)cc1 ZINC000004105956 562942003 /nfs/dbraw/zinc/94/20/03/562942003.db2.gz GAOQHYRVHVSQBK-ILRSUAPQSA-N 0 0 425.554 3.798 50 0 IHAARN CCOC(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CC ZINC000006467667 562946784 /nfs/dbraw/zinc/94/67/84/562946784.db2.gz BENFIQSABZDVAW-UHFFFAOYSA-N 0 0 447.582 3.863 50 0 IHAARN Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000006577408 562947606 /nfs/dbraw/zinc/94/76/06/562947606.db2.gz RQMTZHAJGAHNSV-UHFFFAOYSA-N 0 0 445.957 3.624 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1 ZINC000006577437 562947614 /nfs/dbraw/zinc/94/76/14/562947614.db2.gz DSEFNYDANLFAMK-UHFFFAOYSA-N 0 0 435.528 3.744 50 0 IHAARN CC(C)N(C(=O)Cn1cc(SCC(=O)NC[C@@H]2CCCO2)c2ccccc21)C(C)C ZINC000006867550 562948479 /nfs/dbraw/zinc/94/84/79/562948479.db2.gz IEDSIRWAACULNF-SFHVURJKSA-N 0 0 431.602 3.674 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC000008583146 562949649 /nfs/dbraw/zinc/94/96/49/562949649.db2.gz KUPSIHIMWUJVFA-UHFFFAOYSA-N 0 0 442.468 3.594 50 0 IHAARN Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000008587405 562950249 /nfs/dbraw/zinc/95/02/49/562950249.db2.gz AKXMNNVRJJZIBY-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN CC[C@H](C)NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000008593554 562952750 /nfs/dbraw/zinc/95/27/50/562952750.db2.gz CWZZEVUFJNDCNL-ZDUSSCGKSA-N 0 0 445.972 3.661 50 0 IHAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2ccc(Cl)s2)nc2cccnc21 ZINC000008600368 562955055 /nfs/dbraw/zinc/95/50/55/562955055.db2.gz NPISWWJDEJECSD-UHFFFAOYSA-N 0 0 448.957 3.682 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601366 562955308 /nfs/dbraw/zinc/95/53/08/562955308.db2.gz RSVPCVBCSHSZBK-IBGZPJMESA-N 0 0 437.876 3.782 50 0 IHAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000008601640 562955530 /nfs/dbraw/zinc/95/55/30/562955530.db2.gz BKQXYCGXITZYRY-UHFFFAOYSA-N 0 0 441.958 3.869 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2ccc(C)c(C)c2)sc2nc(-c3ccccc3)nn12 ZINC000008601678 562955554 /nfs/dbraw/zinc/95/55/54/562955554.db2.gz MOWKHSCSPSFTCL-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1F ZINC000008605485 562956735 /nfs/dbraw/zinc/95/67/35/562956735.db2.gz CTLCCZYMZDQZIY-UHFFFAOYSA-N 0 0 426.471 3.729 50 0 IHAARN O=C(COc1ccccc1Cl)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000008605572 562956800 /nfs/dbraw/zinc/95/68/00/562956800.db2.gz HXZGGBBRWRUKTC-UHFFFAOYSA-N 0 0 433.917 3.974 50 0 IHAARN Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1C ZINC000008605626 562956812 /nfs/dbraw/zinc/95/68/12/562956812.db2.gz BMMKWWVJMNBTCP-UHFFFAOYSA-N 0 0 427.507 3.619 50 0 IHAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCc4ccccc4Cl)cc3C2=O)cc1 ZINC000008608955 562957537 /nfs/dbraw/zinc/95/75/37/562957537.db2.gz NRSAOKNUHHLPFD-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)ccc21 ZINC000008609455 562957829 /nfs/dbraw/zinc/95/78/29/562957829.db2.gz PWQKNHGLRHQJBJ-UHFFFAOYSA-N 0 0 443.544 3.517 50 0 aggregator IHAARN CCOc1ccccc1CNC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 ZINC000008610487 562958202 /nfs/dbraw/zinc/95/82/02/562958202.db2.gz KMZLJRGJKBCMLY-UHFFFAOYSA-N 0 0 439.585 3.877 50 0 IHAARN Cc1ccc2nc(COc3ccc(NC(=O)COc4ccccc4F)cc3)cc(=O)n2c1 ZINC000008619653 562959925 /nfs/dbraw/zinc/95/99/25/562959925.db2.gz SZRVFTUZUQTSNM-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCCC4=CCCCC4)C3=O)ccc2c1 ZINC000008680942 562961645 /nfs/dbraw/zinc/96/16/45/562961645.db2.gz CLYUTYMWLFSQEP-RUZDIDTESA-N 0 0 435.524 3.622 50 0 IHAARN CCCCC(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008681032 562961658 /nfs/dbraw/zinc/96/16/58/562961658.db2.gz IHJWOGSSZPSPPQ-UHFFFAOYSA-N 0 0 444.372 3.605 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccco2)s1 ZINC000008684494 562962179 /nfs/dbraw/zinc/96/21/79/562962179.db2.gz YUPUZEBEHVVDHM-UHFFFAOYSA-N 0 0 446.959 3.628 50 0 IHAARN Cc1nn(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(C)cc1 ZINC000008830341 562964777 /nfs/dbraw/zinc/96/47/77/562964777.db2.gz QGMWGFSCUCAHKN-UHFFFAOYSA-N 0 0 433.530 3.717 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(SC)nn(Cc3ccccc3C)c2NC(C)=O)cc1 ZINC000008831218 562964950 /nfs/dbraw/zinc/96/49/50/562964950.db2.gz URAJHFCAUPDZPM-UHFFFAOYSA-N 0 0 445.566 3.762 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccccc1 ZINC000008860843 562965405 /nfs/dbraw/zinc/96/54/05/562965405.db2.gz IUONQSBGEAMDBB-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN CCc1nc2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cc2nc1CC ZINC000008877639 562965698 /nfs/dbraw/zinc/96/56/98/562965698.db2.gz FDLWJLWEWDIGTN-UHFFFAOYSA-N 0 0 430.430 3.883 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)N(C)C ZINC000009463581 562971548 /nfs/dbraw/zinc/97/15/48/562971548.db2.gz OYAZUJLRPLHDHS-HSZRJFAPSA-N 0 0 432.520 3.724 50 0 IHAARN CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OCC ZINC000009465581 562971633 /nfs/dbraw/zinc/97/16/33/562971633.db2.gz PZQVXVDYHLQRFC-UHFFFAOYSA-N 0 0 439.961 3.660 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2F)c1 ZINC000009468219 562971695 /nfs/dbraw/zinc/97/16/95/562971695.db2.gz GZQQWBMROURWGK-UHFFFAOYSA-N 0 0 442.512 3.898 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000009507153 562972510 /nfs/dbraw/zinc/97/25/10/562972510.db2.gz HOCINNMBZXIEMC-FQEVSTJZSA-N 0 0 432.542 3.527 50 0 IHAARN Cc1ccsc1CN(C)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009723332 562976042 /nfs/dbraw/zinc/97/60/42/562976042.db2.gz ZHJRBBVJOPCOAW-UHFFFAOYSA-N 0 0 433.533 3.511 50 0 IHAARN Cc1cccc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)n1 ZINC000012029743 562980507 /nfs/dbraw/zinc/98/05/07/562980507.db2.gz FNDGZIQUXDYADR-UHFFFAOYSA-N 0 0 436.519 3.939 50 0 IHAARN CCC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C1 ZINC000012072657 562980634 /nfs/dbraw/zinc/98/06/34/562980634.db2.gz ZLPHTIQDSNOTKG-NRFANRHFSA-N 0 0 449.551 3.597 50 0 IHAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21 ZINC000015936433 563018836 /nfs/dbraw/zinc/01/88/36/563018836.db2.gz DWTUJMGEULLDRS-QNGOZBTKSA-N 0 0 437.927 3.944 50 0 IHAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943082 563019890 /nfs/dbraw/zinc/01/98/90/563019890.db2.gz PJFIRNYGRIFIOY-HXUWFJFHSA-N 0 0 431.496 3.797 50 0 IHAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCCc1ccccc1 ZINC000015943874 563020030 /nfs/dbraw/zinc/02/00/30/563020030.db2.gz IBXQMQDDPQVRJZ-UHFFFAOYSA-N 0 0 432.929 3.577 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccccc3Cl)c(C)o2)c1 ZINC000015944269 563020147 /nfs/dbraw/zinc/02/01/47/563020147.db2.gz ZZPWIHSBZAEDPR-UHFFFAOYSA-N 0 0 434.901 3.866 50 0 IHAARN O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000017250459 563021809 /nfs/dbraw/zinc/02/18/09/563021809.db2.gz HJRDQXZKCGCWGO-UHFFFAOYSA-N 0 0 441.601 3.649 50 0 IHAARN Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000019332611 563022597 /nfs/dbraw/zinc/02/25/97/563022597.db2.gz SONAJNQDRUOQHK-JOCHJYFZSA-N 0 0 437.979 3.744 50 0 IHAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(OC)cc1)C3 ZINC000019890931 563023260 /nfs/dbraw/zinc/02/32/60/563023260.db2.gz FCQLMCXEQOUMAV-UHFFFAOYSA-N 0 0 437.492 3.529 50 0 biogenic IHAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)o1 ZINC000020308258 563024463 /nfs/dbraw/zinc/02/44/63/563024463.db2.gz UJWAEERRVJXRGQ-HXUWFJFHSA-N 0 0 442.899 3.615 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056896268 563142685 /nfs/dbraw/zinc/14/26/85/563142685.db2.gz CJHNUDNLJFQKSY-XMMPIXPASA-N 0 0 434.515 3.523 50 0 IHAARN COc1ccccc1N1CCN([C@@H](CNC(=O)Oc2ccccc2)c2cccnc2)CC1 ZINC000058134050 563143388 /nfs/dbraw/zinc/14/33/88/563143388.db2.gz BVQOJJBYAZZTJC-QHCPKHFHSA-N 0 0 432.524 3.742 50 0 IHAARN O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000058085771 563143394 /nfs/dbraw/zinc/14/33/94/563143394.db2.gz MBKJPVCOWJBZMX-FCHUYYIVSA-N 0 0 434.005 3.752 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3ccco3)C2)c(OC)c1 ZINC000012053228 568625208 /nfs/dbraw/zinc/62/52/08/568625208.db2.gz OHBPIHWXASMUEJ-GOSISDBHSA-N 0 0 428.529 3.565 50 0 IHAARN CCCCOc1ccc(NC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 ZINC000585147668 568627190 /nfs/dbraw/zinc/62/71/90/568627190.db2.gz PXTUFZVQXHAONG-UHFFFAOYSA-N 0 0 444.557 3.721 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015068223 568635324 /nfs/dbraw/zinc/63/53/24/568635324.db2.gz HDKNQMRVVNBYPV-JOCHJYFZSA-N 0 0 437.559 3.803 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000025084034 568635663 /nfs/dbraw/zinc/63/56/63/568635663.db2.gz JIYMTWRWXCRPGV-AWEZNQCLSA-N 0 0 432.398 3.766 50 0 IHAARN Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000929946 568637719 /nfs/dbraw/zinc/63/77/19/568637719.db2.gz BQFJIHJXIKTPIJ-UHFFFAOYSA-N 0 0 426.933 3.861 50 0 IHAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc2nsnc21 ZINC000019077383 568638242 /nfs/dbraw/zinc/63/82/42/568638242.db2.gz XTVKLUPWXVVOLL-UHFFFAOYSA-N 0 0 446.945 3.783 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019078466 568638470 /nfs/dbraw/zinc/63/84/70/568638470.db2.gz FXCZJYSNRXXQDP-UHFFFAOYSA-N 0 0 438.465 3.671 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940693 568641598 /nfs/dbraw/zinc/64/15/98/568641598.db2.gz XNHMJBLPICGUAS-MRXNPFEDSA-N 0 0 444.720 3.540 50 0 IHAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501615 568642851 /nfs/dbraw/zinc/64/28/51/568642851.db2.gz OTNAVSJAMNLXPF-FFBGOSLXSA-N 0 0 432.557 3.744 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)CCCC2 ZINC000000951148 568645275 /nfs/dbraw/zinc/64/52/75/568645275.db2.gz PZPAKGWKUZVGQK-UHFFFAOYSA-N 0 0 445.500 3.779 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000000957779 568646043 /nfs/dbraw/zinc/64/60/43/568646043.db2.gz WCWAITOHYUMWIN-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN CC[C@H](C)OC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958425 568646243 /nfs/dbraw/zinc/64/62/43/568646243.db2.gz MIGBIZPOOUFMHB-AWEZNQCLSA-N 0 0 427.526 3.977 50 0 IHAARN Cc1c(N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001103528 568660324 /nfs/dbraw/zinc/66/03/24/568660324.db2.gz CBXOYCOCIJEOIZ-QGZVFWFLSA-N 0 0 443.718 3.616 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000034900456 568739364 /nfs/dbraw/zinc/73/93/64/568739364.db2.gz FBLGXLDNGKXMBB-CEMLEFRQSA-N 0 0 441.616 3.827 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C ZINC000005979921 568739730 /nfs/dbraw/zinc/73/97/30/568739730.db2.gz NFEXPFGARMUUSZ-KSKOPSKJSA-N 0 0 430.545 3.686 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000006005689 568739908 /nfs/dbraw/zinc/73/99/08/568739908.db2.gz YMMIWMCKUCDANQ-INIZCTEOSA-N 0 0 425.558 3.609 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)n3nnc(-c4cccc(C(F)(F)F)c4)n3)ccc21 ZINC000031683643 568741638 /nfs/dbraw/zinc/74/16/38/568741638.db2.gz RCFGJLYWXABMLS-LBPRGKRZSA-N 0 0 429.402 3.712 50 0 IHAARN COC(=O)c1ccc([C@@H]2NC(=S)N(c3ccc(C)c(F)c3)C(C)=C2C(=O)OC)cc1 ZINC000012515163 568742248 /nfs/dbraw/zinc/74/22/48/568742248.db2.gz WDYTWUDOKQPLDJ-IBGZPJMESA-N 0 0 428.485 3.804 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccccc2F)c1 ZINC000003250843 568744086 /nfs/dbraw/zinc/74/40/86/568744086.db2.gz HSCCGVVUZSYXLJ-UHFFFAOYSA-N 0 0 427.453 3.691 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)C(C)(C)C)c2)cc1 ZINC000003263379 568744290 /nfs/dbraw/zinc/74/42/90/568744290.db2.gz DXLNTSJNMPWMIC-UHFFFAOYSA-N 0 0 433.526 3.967 50 0 IHAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)NCCc2ccccc2)cc1 ZINC000044166297 568749230 /nfs/dbraw/zinc/74/92/30/568749230.db2.gz VIBDWNWYFQBWCF-UHFFFAOYSA-N 0 0 436.581 3.853 50 0 IHAARN COc1cccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)c1 ZINC000044166459 568749298 /nfs/dbraw/zinc/74/92/98/568749298.db2.gz IHWOCKWFDNDXAQ-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 ZINC000019165846 568754283 /nfs/dbraw/zinc/75/42/83/568754283.db2.gz VKZXRHILDPLPTQ-CQSZACIVSA-N 0 0 444.944 3.882 50 0 IHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301146 568755078 /nfs/dbraw/zinc/75/50/78/568755078.db2.gz ADCWITHTZAUXGH-HXUWFJFHSA-N 0 0 428.504 3.791 50 0 IHAARN O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)N1CCCN(c2nc3ccccc3o2)CC1 ZINC000299755154 568755321 /nfs/dbraw/zinc/75/53/21/568755321.db2.gz ASVXNSOTEDYPSR-AREMUKBSSA-N 0 0 446.551 3.538 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000299763691 568756231 /nfs/dbraw/zinc/75/62/31/568756231.db2.gz PHJTWGOICAHMBU-MJGOQNOKSA-N 0 0 426.900 3.722 50 0 IHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073162 568760419 /nfs/dbraw/zinc/76/04/19/568760419.db2.gz FZDXWPBMMTUCCU-DFBJGRDBSA-N 0 0 427.541 3.976 50 0 biogenic IHAARN CCNC(=O)COc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 ZINC000025653336 568762276 /nfs/dbraw/zinc/76/22/76/568762276.db2.gz UUJYFTUHCNTKRV-UHFFFAOYSA-N 0 0 440.525 3.746 50 0 IHAARN Cc1ccc(-c2nn3ccn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)c3c2CO)cc1 ZINC000263616594 568776802 /nfs/dbraw/zinc/77/68/02/568776802.db2.gz JPRMMOYPYUXFJC-UHFFFAOYSA-N 0 0 430.508 3.528 50 0 IHAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1ccc(F)cc1Cl ZINC000263617002 568776985 /nfs/dbraw/zinc/77/69/85/568776985.db2.gz LPELUCILRKOKLS-UHFFFAOYSA-N 0 0 430.852 3.505 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(Br)cc4)c3CO2)cc1 ZINC000263617087 568777038 /nfs/dbraw/zinc/77/70/38/568777038.db2.gz MADBYCIUJLFAAX-KRWDZBQOSA-N 0 0 429.274 3.573 50 0 IHAARN O=c1c2cc(-c3ccc(F)cc3)nn2ccn1C[C@@H](O)c1cccc(Br)c1 ZINC000263618794 568777637 /nfs/dbraw/zinc/77/76/37/568777637.db2.gz VPHXJHSYFMUYKD-LJQANCHMSA-N 0 0 428.261 3.798 50 0 IHAARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1Br ZINC000001291833 568778623 /nfs/dbraw/zinc/77/86/23/568778623.db2.gz ZSNGYJXAGQCRGG-KRWDZBQOSA-N 0 0 448.321 3.609 50 0 IHAARN CC(C)C12CN3CC(C(C)C)(CN(C1)C31c3ccccc3N(Cc3ccccc3)C1=O)C2=O ZINC000001322180 568780022 /nfs/dbraw/zinc/78/00/22/568780022.db2.gz WLKQZLUWSALPLZ-UHFFFAOYSA-N 0 0 443.591 3.885 50 0 biogenic IHAARN COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000001321046 568780052 /nfs/dbraw/zinc/78/00/52/568780052.db2.gz KQDVTKGVWJCKNK-CYBMUJFWSA-N 0 0 426.542 3.651 50 0 IHAARN C[C@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000032109473 568781517 /nfs/dbraw/zinc/78/15/17/568781517.db2.gz NRHLKCXDZWXUOZ-YLJYHZDGSA-N 0 0 440.540 3.941 50 0 biogenic IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 ZINC000025866805 568785658 /nfs/dbraw/zinc/78/56/58/568785658.db2.gz NBRAJOXAPDKTMR-UHFFFAOYSA-N 0 0 430.505 3.651 50 0 IHAARN O=C(C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000016626628 568787830 /nfs/dbraw/zinc/78/78/30/568787830.db2.gz UKZJDPWHODYYBM-GOSISDBHSA-N 0 0 449.942 3.511 50 0 IHAARN CCC(C)(C)NC(=O)COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000019183374 568788712 /nfs/dbraw/zinc/78/87/12/568788712.db2.gz NPRXPUFISZACNF-UHFFFAOYSA-N 0 0 426.513 3.728 50 0 IHAARN COC(=O)c1ccc(CN(C)C(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1 ZINC000084067715 568791006 /nfs/dbraw/zinc/79/10/06/568791006.db2.gz KCPMCCSVIMNLHN-UHFFFAOYSA-N 0 0 444.281 3.923 50 0 IHAARN Cc1ccc(CCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1Cl ZINC000025906229 568791009 /nfs/dbraw/zinc/79/10/09/568791009.db2.gz PQPQHGWWOGEAOR-UHFFFAOYSA-N 0 0 426.991 3.612 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F ZINC000084072136 568791579 /nfs/dbraw/zinc/79/15/79/568791579.db2.gz UXYSPZDCFUFBNW-RDJZCZTQSA-N 0 0 431.389 3.985 50 0 IHAARN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2ncccn2)cc1)C[C@H]1CCCO1 ZINC000084199874 568796071 /nfs/dbraw/zinc/79/60/71/568796071.db2.gz BDQWOFSIWSYJCH-GOSISDBHSA-N 0 0 428.489 3.624 50 0 IHAARN O=C(COc1ccc2c(c1)CCC(=O)N2)NC1(c2cccc(Br)c2)CCC1 ZINC000084363367 568797328 /nfs/dbraw/zinc/79/73/28/568797328.db2.gz UKNVVKHOIOYGAN-UHFFFAOYSA-N 0 0 429.314 3.908 50 0 IHAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000084452145 568798023 /nfs/dbraw/zinc/79/80/23/568798023.db2.gz XXXSECBLPLLXTN-CYBMUJFWSA-N 0 0 436.361 3.872 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000084493841 568798093 /nfs/dbraw/zinc/79/80/93/568798093.db2.gz BGWCMTKOCCUWGR-DEOSSOPVSA-N 0 0 431.536 3.751 50 0 IHAARN O=C(CCc1nc(-c2cccnc2)no1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000084535619 568798618 /nfs/dbraw/zinc/79/86/18/568798618.db2.gz RRJIDDLTZWCWDO-HXUWFJFHSA-N 0 0 434.521 3.888 50 0 IHAARN O=C(CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(c2ccccc2)CC1 ZINC000084549551 568798856 /nfs/dbraw/zinc/79/88/56/568798856.db2.gz VXYZAJFEXCIPPG-UHFFFAOYSA-N 0 0 426.520 3.728 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000015639326 568800683 /nfs/dbraw/zinc/80/06/83/568800683.db2.gz CWSXSFWCFDBZLX-INIZCTEOSA-N 0 0 427.551 3.962 50 0 IHAARN CCN(CCCNC(=O)C[C@@H](NC(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000032425712 568801710 /nfs/dbraw/zinc/80/17/10/568801710.db2.gz XBPSWURZVCBQFP-LJQANCHMSA-N 0 0 447.377 3.581 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(F)cc(F)c3)n2)cc1 ZINC000015670244 568802118 /nfs/dbraw/zinc/80/21/18/568802118.db2.gz TYEJYILJMLVXRI-GOSISDBHSA-N 0 0 448.433 3.794 50 0 IHAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1OC ZINC000015670289 568802167 /nfs/dbraw/zinc/80/21/67/568802167.db2.gz BDCHOLGMKISYRF-QGZVFWFLSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1 ZINC000015670083 568802168 /nfs/dbraw/zinc/80/21/68/568802168.db2.gz RQRQMPHKFPXPEP-GOSISDBHSA-N 0 0 426.480 3.824 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)cc(F)c3)n2)c1 ZINC000015670535 568802508 /nfs/dbraw/zinc/80/25/08/568802508.db2.gz VHETUUREWRSSKQ-SFHVURJKSA-N 0 0 448.433 3.794 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)cc1OCC ZINC000015677499 568804521 /nfs/dbraw/zinc/80/45/21/568804521.db2.gz HXBWJRYMTXYVTR-UHFFFAOYSA-N 0 0 435.524 3.503 50 0 IHAARN COc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000015678122 568804527 /nfs/dbraw/zinc/80/45/27/568804527.db2.gz MEVZAQPTHQCQGJ-VWLOTQADSA-N 0 0 440.588 3.766 50 0 IHAARN COc1ccc(CN(C(=O)Nc2ccc(OC)c(OC)c2)C2CCN(C(C)=O)CC2)cc1 ZINC000015679700 568805640 /nfs/dbraw/zinc/80/56/40/568805640.db2.gz QNXWIZYIHCSNEO-UHFFFAOYSA-N 0 0 441.528 3.757 50 0 IHAARN CCOc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)cc1 ZINC000015681796 568806722 /nfs/dbraw/zinc/80/67/22/568806722.db2.gz CPXSRZYKHYOSLK-UHFFFAOYSA-N 0 0 435.524 3.685 50 0 IHAARN COc1cc(C2SCCS2)ccc1OC(=O)CCn1cnc2ccccc2c1=O ZINC000032493216 568811417 /nfs/dbraw/zinc/81/14/17/568811417.db2.gz FQJCZHMKRLAPBW-UHFFFAOYSA-N 0 0 428.535 3.879 50 0 IHAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000015721043 568811897 /nfs/dbraw/zinc/81/18/97/568811897.db2.gz GQDACLRCVQQURJ-OAQYLSRUSA-N 0 0 432.451 3.958 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccc(C)cc4)C3)n2)cc1OC ZINC000015726262 568812345 /nfs/dbraw/zinc/81/23/45/568812345.db2.gz GGMDWPKRVAKGFN-SFHVURJKSA-N 0 0 436.512 3.913 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000015726715 568812524 /nfs/dbraw/zinc/81/25/24/568812524.db2.gz RBXOWANTNWEBAG-HOTGVXAUSA-N 0 0 446.594 3.578 50 0 IHAARN CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015731003 568814375 /nfs/dbraw/zinc/81/43/75/568814375.db2.gz UEIHLHMNFXATGD-OAHLLOKOSA-N 0 0 448.566 3.658 50 0 IHAARN O=C([C@H]1CCC(=O)N1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392592 568816988 /nfs/dbraw/zinc/81/69/88/568816988.db2.gz NJJKDSPTFLLICU-HSZRJFAPSA-N 0 0 426.520 3.836 50 0 IHAARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006054552 568819870 /nfs/dbraw/zinc/81/98/70/568819870.db2.gz GQULZVOIPMOKEX-UHFFFAOYSA-N 0 0 446.598 3.673 50 0 IHAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 ZINC000001465261 568820201 /nfs/dbraw/zinc/82/02/01/568820201.db2.gz ZRCGNSAQZIKJCM-JOCHJYFZSA-N 0 0 439.479 3.575 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001467790 568820381 /nfs/dbraw/zinc/82/03/81/568820381.db2.gz BOROGNYBUZNKBE-INIZCTEOSA-N 0 0 443.750 3.894 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2=O)s1 ZINC000015771478 568822537 /nfs/dbraw/zinc/82/25/37/568822537.db2.gz ZHLBSHXOWFHQLC-UHFFFAOYSA-N 0 0 448.504 3.884 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2=O)s1 ZINC000015771602 568822572 /nfs/dbraw/zinc/82/25/72/568822572.db2.gz XZKFZNXLMUMVDX-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN CC(C)CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 ZINC000015771806 568822582 /nfs/dbraw/zinc/82/25/82/568822582.db2.gz VQAQIEFQFXBREK-UHFFFAOYSA-N 0 0 442.541 3.691 50 0 IHAARN CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CCCC)sc2n1 ZINC000015771952 568822685 /nfs/dbraw/zinc/82/26/85/568822685.db2.gz ZSGDQNBASNHZDT-UHFFFAOYSA-N 0 0 442.541 3.979 50 0 IHAARN CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CCC)sc2n1 ZINC000015772469 568822832 /nfs/dbraw/zinc/82/28/32/568822832.db2.gz VTDLUURBZYCOON-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN C[C@H](CCc1ccco1)NC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776513 568824003 /nfs/dbraw/zinc/82/40/03/568824003.db2.gz JGOAHIXXUCRBNT-MRXNPFEDSA-N 0 0 436.491 3.539 50 0 IHAARN CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000063684953 568826319 /nfs/dbraw/zinc/82/63/19/568826319.db2.gz PLXJMMOGCXMZMU-CQSZACIVSA-N 0 0 432.318 3.577 50 0 IHAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)oc2c1 ZINC000085650050 568831237 /nfs/dbraw/zinc/83/12/37/568831237.db2.gz SPAUNJBSXVDIIX-UHFFFAOYSA-N 0 0 427.570 3.940 50 0 IHAARN O=C(CSC(=S)N1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000038268890 568842925 /nfs/dbraw/zinc/84/29/25/568842925.db2.gz ZPBNYMWOETTYDF-HXUWFJFHSA-N 0 0 425.579 3.715 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000015858281 568846454 /nfs/dbraw/zinc/84/64/54/568846454.db2.gz LFMWZUJBSZUFAY-UHFFFAOYSA-N 0 0 432.807 3.678 50 0 IHAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000015858572 568846613 /nfs/dbraw/zinc/84/66/13/568846613.db2.gz OXAXNBYLBJTDLV-UHFFFAOYSA-N 0 0 432.807 3.678 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc(OC)c1OC ZINC000015867942 568851374 /nfs/dbraw/zinc/85/13/74/568851374.db2.gz CATIPFJQRPKDOI-ZDUSSCGKSA-N 0 0 436.493 3.982 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000015997177 568862103 /nfs/dbraw/zinc/86/21/03/568862103.db2.gz IVIZFPPZXFBPMZ-KAOXLYBCSA-N 0 0 439.446 3.587 50 0 IHAARN Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C1 ZINC000575414592 568862461 /nfs/dbraw/zinc/86/24/61/568862461.db2.gz MRTWUYYZDMDBJK-LJQANCHMSA-N 0 0 425.554 3.543 50 0 IHAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C1 ZINC000575414588 568862470 /nfs/dbraw/zinc/86/24/70/568862470.db2.gz MRTWUYYZDMDBJK-IBGZPJMESA-N 0 0 425.554 3.543 50 0 IHAARN COc1ccc(-c2nc(C(=O)NCC(=O)Nc3c(C)cccc3C)cs2)cc1OC ZINC000012939686 568868727 /nfs/dbraw/zinc/86/87/27/568868727.db2.gz WMIFAOOROFELKS-UHFFFAOYSA-N 0 0 425.510 3.813 50 0 IHAARN O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000575609764 568878899 /nfs/dbraw/zinc/87/88/99/568878899.db2.gz GHUCOBRIUTWSCH-LJQANCHMSA-N 0 0 431.535 3.588 50 0 IHAARN Cc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)N(C)S(=O)(=O)N2C ZINC000575612567 568879376 /nfs/dbraw/zinc/87/93/76/568879376.db2.gz MYZNHYWHAZUJOI-UHFFFAOYSA-N 0 0 444.738 3.794 50 0 IHAARN CCN(CC)c1ccc(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1 ZINC000575612291 568879416 /nfs/dbraw/zinc/87/94/16/568879416.db2.gz LAJJDCWMOJNCBH-GOSISDBHSA-N 0 0 433.350 3.769 50 0 IHAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575613220 568879649 /nfs/dbraw/zinc/87/96/49/568879649.db2.gz PSDVINUQQVSEOL-CYBMUJFWSA-N 0 0 449.330 3.542 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575614259 568879958 /nfs/dbraw/zinc/87/99/58/568879958.db2.gz XWMPODJMIPAXOP-CQSZACIVSA-N 0 0 430.224 3.942 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(C)c(-c4ccco4)c3C)n(C)n2)c1 ZINC000575614946 568881057 /nfs/dbraw/zinc/88/10/57/568881057.db2.gz LLKBMDIXJHRESG-UHFFFAOYSA-N 0 0 449.511 3.608 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)Cc1ccc(F)cc1 ZINC000009466197 568883577 /nfs/dbraw/zinc/88/35/77/568883577.db2.gz CDFBTJVWJRZIDT-UHFFFAOYSA-N 0 0 429.366 3.594 50 0 IHAARN COc1cc(C(=O)Nc2ccc(Br)cc2Cl)cc(Cl)c1OCC(N)=O ZINC000010817701 568884628 /nfs/dbraw/zinc/88/46/28/568884628.db2.gz IBTORKKCBGYSSF-UHFFFAOYSA-N 0 0 448.100 3.881 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1[S@](C)=O ZINC000225246271 568885181 /nfs/dbraw/zinc/88/51/81/568885181.db2.gz PPRYZZXXSPCNCJ-HJWYETAXSA-N 0 0 434.583 3.548 50 0 IHAARN O=C(COc1ccccc1F)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000011613151 568885907 /nfs/dbraw/zinc/88/59/07/568885907.db2.gz BUAOCGAPXNMUGB-UHFFFAOYSA-N 0 0 440.496 3.590 50 0 IHAARN CCSc1nnc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)s1 ZINC000014237832 568893052 /nfs/dbraw/zinc/89/30/52/568893052.db2.gz AAWIGVZHQOPUBI-KAMYIIQDSA-N 0 0 425.499 3.533 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)NCc1ccccc1 ZINC000017179157 568894421 /nfs/dbraw/zinc/89/44/21/568894421.db2.gz NCTGDJNVUOSICH-UHFFFAOYSA-N 0 0 425.901 3.583 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032962483 568895965 /nfs/dbraw/zinc/89/59/65/568895965.db2.gz KBSBYHXIJIJRNK-RDSFPOOSSA-N 0 0 433.596 3.997 50 0 IHAARN CN(C)C(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000040160149 568896561 /nfs/dbraw/zinc/89/65/61/568896561.db2.gz GZOZKHKLMUDVBF-BUHFOSPRSA-N 0 0 428.536 3.879 50 0 IHAARN COC(=O)CCCCCNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012997911 568897042 /nfs/dbraw/zinc/89/70/42/568897042.db2.gz OVDPSXAKTMXLMC-MRXNPFEDSA-N 0 0 446.617 3.794 50 0 IHAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC000077100896 568897511 /nfs/dbraw/zinc/89/75/11/568897511.db2.gz RSTABPOXQXMODV-QGZVFWFLSA-N 0 0 437.931 3.863 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1 ZINC000012998885 568897978 /nfs/dbraw/zinc/89/79/78/568897978.db2.gz WARVIWQJTADBHO-UHFFFAOYSA-N 0 0 428.510 3.694 50 0 IHAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCc1nnnn1-c1ccccc1 ZINC000013002888 568898487 /nfs/dbraw/zinc/89/84/87/568898487.db2.gz CFCATRFFZYFWGM-UHFFFAOYSA-N 0 0 426.933 3.974 50 0 IHAARN CCn1nc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2c1=O ZINC000013000785 568898673 /nfs/dbraw/zinc/89/86/73/568898673.db2.gz VXNLAUKMOXVMAP-UHFFFAOYSA-N 0 0 449.898 3.925 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000013007688 568899459 /nfs/dbraw/zinc/89/94/59/568899459.db2.gz FVAZFZMBRHHLEH-QMMMGPOBSA-N 0 0 425.297 3.950 50 0 IHAARN Cc1cccc(C)c1-n1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc2c1=O ZINC000013007884 568899471 /nfs/dbraw/zinc/89/94/71/568899471.db2.gz YOYNNYOEVNUNKR-OAHLLOKOSA-N 0 0 447.568 3.689 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1cc(Br)cs1 ZINC000013013001 568901185 /nfs/dbraw/zinc/90/11/85/568901185.db2.gz FHVKQGOXSSYWOA-UHFFFAOYSA-N 0 0 447.314 3.692 50 0 IHAARN CCc1cccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000013018009 568901801 /nfs/dbraw/zinc/90/18/01/568901801.db2.gz KDMHNRAYLIJMII-INIZCTEOSA-N 0 0 447.457 3.718 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1Cc1ccccc1 ZINC000013038072 568904417 /nfs/dbraw/zinc/90/44/17/568904417.db2.gz YDQOTRMSNIETJR-HXUWFJFHSA-N 0 0 434.492 3.521 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)CCCC2 ZINC000001786764 568907608 /nfs/dbraw/zinc/90/76/08/568907608.db2.gz DDFDTKVBJLVALF-UHFFFAOYSA-N 0 0 443.554 3.510 50 0 IHAARN COc1ccc(Oc2c(=O)c3ccc(OS(C)(=O)=O)cc3oc2C(F)(F)F)cc1 ZINC000001807446 568908972 /nfs/dbraw/zinc/90/89/72/568908972.db2.gz IXWXDAKTHUSKHR-UHFFFAOYSA-N 0 0 430.356 3.951 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000137849145 568909249 /nfs/dbraw/zinc/90/92/49/568909249.db2.gz UBZIBLXCIWQIKU-RJGXRXQPSA-N 0 0 448.450 3.894 50 0 IHAARN CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000390832890 568909680 /nfs/dbraw/zinc/90/96/80/568909680.db2.gz SMBKYFJNGJMPPQ-FGTMMUONSA-N 0 0 439.597 3.785 50 0 IHAARN COc1ccc([C@H]([C@H]2C(=O)Nc3ccccc3C2=O)[C@@H]2C(=O)Nc3ccccc3C2=O)cc1 ZINC000239302897 568911091 /nfs/dbraw/zinc/91/10/91/568911091.db2.gz FTXPRGHYLBJECD-DKUWSORSSA-N 0 0 440.455 3.681 50 0 IHAARN O=C(NC[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc2c(c1)OCCO2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000241776822 568912380 /nfs/dbraw/zinc/91/23/80/568912380.db2.gz RSZXPNULHWQLHF-AETXQPLOSA-N 0 0 438.568 3.604 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)CC2 ZINC000241447089 568912410 /nfs/dbraw/zinc/91/24/10/568912410.db2.gz NRCYVMSGZMNVFQ-REHUZNOOSA-N 0 0 432.520 3.560 50 0 IHAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245254561 568913451 /nfs/dbraw/zinc/91/34/51/568913451.db2.gz AFBKHIUFLLKDFT-UUIKUFGASA-N 0 0 431.536 3.834 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245313092 568914853 /nfs/dbraw/zinc/91/48/53/568914853.db2.gz ZXOODZDVQKLXTF-MLNNCEHLSA-N 0 0 436.895 3.761 50 0 IHAARN CCOc1ccccc1NC(=O)c1c(C(=O)Nc2ccccc2)sc2nc(C)cc(=O)n21 ZINC000001907080 568919450 /nfs/dbraw/zinc/91/94/50/568919450.db2.gz NAACOABJIGLVLA-UHFFFAOYSA-N 0 0 448.504 3.968 50 0 IHAARN O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2ccncc2Cl)CC1 ZINC000253471260 568920214 /nfs/dbraw/zinc/92/02/14/568920214.db2.gz BRBIRQKYEDVHMY-UHFFFAOYSA-N 0 0 437.768 3.791 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000001917001 568922671 /nfs/dbraw/zinc/92/26/71/568922671.db2.gz HQGLKKCYCDJLHK-GOSISDBHSA-N 0 0 428.872 3.533 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000001931552 568923520 /nfs/dbraw/zinc/92/35/20/568923520.db2.gz GNPMGNCZYUPVLL-SNVBAGLBSA-N 0 0 429.687 3.947 50 0 IHAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccccc1Cl ZINC000001942326 568923693 /nfs/dbraw/zinc/92/36/93/568923693.db2.gz YSQFBOLQOPXLCZ-UHFFFAOYSA-N 0 0 434.835 3.936 50 0 IHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1C ZINC000001971033 568924211 /nfs/dbraw/zinc/92/42/11/568924211.db2.gz RDOGYSYYDRIMSO-UHFFFAOYSA-N 0 0 439.415 3.601 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(-c3ccco3)nn21 ZINC000089473738 568926613 /nfs/dbraw/zinc/92/66/13/568926613.db2.gz KCUKWWVOYTWFCA-UHFFFAOYSA-N 0 0 445.504 3.955 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O ZINC000064439169 568928522 /nfs/dbraw/zinc/92/85/22/568928522.db2.gz DTKWZCFGKBZREY-CYBMUJFWSA-N 0 0 437.525 3.707 50 0 IHAARN Cc1ccc(CNC(=O)CCc2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1 ZINC000064474167 568930166 /nfs/dbraw/zinc/93/01/66/568930166.db2.gz CTISTRBGUKURBU-UHFFFAOYSA-N 0 0 428.540 3.825 50 0 IHAARN O=C(NCc1cc2c(c(Br)c1)OCO2)Nc1cccc(Cn2cccn2)c1 ZINC000064529575 568931218 /nfs/dbraw/zinc/93/12/18/568931218.db2.gz CBAKSJGFLLXERQ-UHFFFAOYSA-N 0 0 429.274 3.744 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1c(F)cccc1F)C2 ZINC000064566146 568932960 /nfs/dbraw/zinc/93/29/60/568932960.db2.gz JBAMUSSZIJEUEH-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN Cc1ccc(CC(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)cc1 ZINC000064566173 568932991 /nfs/dbraw/zinc/93/29/91/568932991.db2.gz OKQTVJVMPBATDX-UHFFFAOYSA-N 0 0 431.471 3.712 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000064566147 568933006 /nfs/dbraw/zinc/93/30/06/568933006.db2.gz ZGBNLDKQSGWVMK-UHFFFAOYSA-N 0 0 435.434 3.543 50 0 IHAARN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000064566399 568933194 /nfs/dbraw/zinc/93/31/94/568933194.db2.gz AGVQQTUDKJMKHY-UHFFFAOYSA-N 0 0 432.406 3.957 50 0 IHAARN CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])CC1 ZINC000064580572 568934560 /nfs/dbraw/zinc/93/45/60/568934560.db2.gz LKLKVBXEVVKLCN-UHFFFAOYSA-N 0 0 445.585 3.643 50 0 IHAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)Nc1ccccc1C ZINC000064593377 568935884 /nfs/dbraw/zinc/93/58/84/568935884.db2.gz NDACQJOILPQAOT-SFHVURJKSA-N 0 0 437.500 3.837 50 0 IHAARN CCc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c1 ZINC000064593586 568936016 /nfs/dbraw/zinc/93/60/16/568936016.db2.gz RVRWQVXGYMAAPS-UHFFFAOYSA-N 0 0 433.537 3.790 50 0 IHAARN CCOC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000016682912 568937789 /nfs/dbraw/zinc/93/77/89/568937789.db2.gz KDYMOWFYMFJXPY-ODLFYWEKSA-N 0 0 437.883 3.951 50 0 IHAARN O=C1CC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)Oc2ccccc21 ZINC000016689633 568938166 /nfs/dbraw/zinc/93/81/66/568938166.db2.gz UHHGMAQSKVVLBX-UHFFFAOYSA-N 0 0 436.327 3.638 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000016690071 568938560 /nfs/dbraw/zinc/93/85/60/568938560.db2.gz BSKKTIHAIIMXPA-AEFFLSMTSA-N 0 0 428.558 3.732 50 0 IHAARN Cc1cccc(NC(=S)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3CC2CC2)c1 ZINC000036029798 568943669 /nfs/dbraw/zinc/94/36/69/568943669.db2.gz ZDQGNRKFZLJBHT-HSZRJFAPSA-N 0 0 448.636 3.937 50 0 IHAARN CN(CC(=O)N1CCCC1)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703856 568944429 /nfs/dbraw/zinc/94/44/29/568944429.db2.gz AEDXZILJYPQYHA-UHFFFAOYSA-N 0 0 430.553 3.866 50 0 IHAARN COCCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(C)c3)c2NC(C)(C)C)s1 ZINC000064703687 568944452 /nfs/dbraw/zinc/94/44/52/568944452.db2.gz PRVKJCARWZQVDA-UHFFFAOYSA-N 0 0 444.605 3.566 50 0 IHAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CC1 ZINC000036071256 568945657 /nfs/dbraw/zinc/94/56/57/568945657.db2.gz FXVOGIOMSSWGGL-UHFFFAOYSA-N 0 0 449.599 3.529 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083494 568947213 /nfs/dbraw/zinc/94/72/13/568947213.db2.gz HSKBYUSWINSGOE-FQEVSTJZSA-N 0 0 432.423 3.566 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000036083516 568947241 /nfs/dbraw/zinc/94/72/41/568947241.db2.gz VBBAHVCUHKWQRF-NRFANRHFSA-N 0 0 426.444 3.621 50 0 IHAARN Cc1ccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064769064 568953188 /nfs/dbraw/zinc/95/31/88/568953188.db2.gz VBIFACRUEKUWBW-UHFFFAOYSA-N 0 0 427.551 3.759 50 0 IHAARN Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)C(C)C)cs2)c1 ZINC000036105168 568953378 /nfs/dbraw/zinc/95/33/78/568953378.db2.gz SOOTZYOUZVTDIV-UHFFFAOYSA-N 0 0 431.602 3.656 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000008440244 568953867 /nfs/dbraw/zinc/95/38/67/568953867.db2.gz RNYIDLLFYDCWRP-QNGOZBTKSA-N 0 0 426.542 3.744 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(-c4cc(F)ccc4F)c3=O)n2)cc1 ZINC000064775239 568954556 /nfs/dbraw/zinc/95/45/56/568954556.db2.gz AZIMKCQGONKTEU-UHFFFAOYSA-N 0 0 446.413 3.837 50 0 IHAARN Cc1csc2nc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)cc(=O)n12 ZINC000064775674 568954684 /nfs/dbraw/zinc/95/46/84/568954684.db2.gz WNNQGOYQCVDYIB-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1 ZINC000036117345 568955756 /nfs/dbraw/zinc/95/57/56/568955756.db2.gz KKGFBLGTWCBNFD-FQEVSTJZSA-N 0 0 428.554 3.663 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC(C)C ZINC000036122622 568958194 /nfs/dbraw/zinc/95/81/94/568958194.db2.gz BHGWYYMFOLDUJK-FQEVSTJZSA-N 0 0 429.586 3.940 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000036123519 568958699 /nfs/dbraw/zinc/95/86/99/568958699.db2.gz LBHJNCCVGNWLFU-LJQANCHMSA-N 0 0 433.549 3.832 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)N1CCc2ccccc2C1 ZINC000064792439 568959202 /nfs/dbraw/zinc/95/92/02/568959202.db2.gz KETZKNVZGGZXNE-RUZDIDTESA-N 0 0 448.530 3.709 50 0 IHAARN CCOc1ccc(NC(=O)CCc2c(C)n(CC)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000064792271 568959259 /nfs/dbraw/zinc/95/92/59/568959259.db2.gz BXFZTXOEGDFXBS-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)N3CCC(C)CC3)c3nnnn32)cc1 ZINC000064793041 568959500 /nfs/dbraw/zinc/95/95/00/568959500.db2.gz OQIHQAFGAJWEJQ-HSZRJFAPSA-N 0 0 428.540 3.691 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NC1CCCC1 ZINC000064792994 568959570 /nfs/dbraw/zinc/95/95/70/568959570.db2.gz JKWKUQJZSIMRIU-OAQYLSRUSA-N 0 0 434.931 3.836 50 0 IHAARN CC(C)CNC(=O)CN1c2nnnn2[C@@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1 ZINC000064793522 568959797 /nfs/dbraw/zinc/95/97/97/568959797.db2.gz VCVQNLUBJGITJP-HXUWFJFHSA-N 0 0 440.910 3.688 50 0 IHAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(OC)c(O)c2)cc1 ZINC000064799117 568960818 /nfs/dbraw/zinc/96/08/18/568960818.db2.gz JAXNIDSULJVLOX-OAHLLOKOSA-N 0 0 445.518 3.778 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)cc1OC ZINC000064799943 568961220 /nfs/dbraw/zinc/96/12/20/568961220.db2.gz APAPQJIHWSPEQA-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)Cc2cccs2)c1 ZINC000006722011 568963054 /nfs/dbraw/zinc/96/30/54/568963054.db2.gz CSUAXWFIZKYXTK-IBGZPJMESA-N 0 0 429.586 3.913 50 0 IHAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036150760 568963962 /nfs/dbraw/zinc/96/39/62/568963962.db2.gz SFHHDTRNKNQXKZ-UHFFFAOYSA-N 0 0 449.507 3.958 50 0 IHAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3cccc4nsnc43)c(C)o2)cc1 ZINC000064817888 568964906 /nfs/dbraw/zinc/96/49/06/568964906.db2.gz OYDCVFMABYSNIB-UHFFFAOYSA-N 0 0 444.538 3.874 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064816270 568965102 /nfs/dbraw/zinc/96/51/02/568965102.db2.gz MAMCGWYIKICKBX-VWLOTQADSA-N 0 0 432.524 3.925 50 0 IHAARN Cc1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)C2=O ZINC000064816458 568965211 /nfs/dbraw/zinc/96/52/11/568965211.db2.gz SMYYZFCVTCEXRK-QFIPXVFZSA-N 0 0 426.879 3.720 50 0 IHAARN COc1cccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000064816448 568965287 /nfs/dbraw/zinc/96/52/87/568965287.db2.gz HYCOJHOISZQNTE-QHCPKHFHSA-N 0 0 438.915 3.589 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(C)cc3C(=O)N2c2cccc(Cl)c2)cc1 ZINC000064816464 568965292 /nfs/dbraw/zinc/96/52/92/568965292.db2.gz BIHQXRUBSKDHAL-QHCPKHFHSA-N 0 0 438.915 3.589 50 0 IHAARN CC(C)(C)OC[C@@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156623 568965481 /nfs/dbraw/zinc/96/54/81/568965481.db2.gz MDBHUZYSHQHXOX-HNNXBMFYSA-N 0 0 445.585 3.635 50 0 IHAARN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1 ZINC000036156942 568965623 /nfs/dbraw/zinc/96/56/23/568965623.db2.gz UJHZIFSCMYKCHI-INIZCTEOSA-N 0 0 427.570 3.514 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818264 568966310 /nfs/dbraw/zinc/96/63/10/568966310.db2.gz ASKWZAJBJCGICM-SFHVURJKSA-N 0 0 434.471 3.635 50 0 IHAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)CC3)n2)cc1 ZINC000064818213 568966411 /nfs/dbraw/zinc/96/64/11/568966411.db2.gz CIDOSHBFLAZKMZ-FQEVSTJZSA-N 0 0 430.508 3.804 50 0 IHAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)CC3)n2)cc1 ZINC000064818212 568966420 /nfs/dbraw/zinc/96/64/20/568966420.db2.gz CIDOSHBFLAZKMZ-HXUWFJFHSA-N 0 0 430.508 3.804 50 0 IHAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COc1ccccc1C ZINC000036159344 568967112 /nfs/dbraw/zinc/96/71/12/568967112.db2.gz KOVAHMUNSYSFBQ-QGZVFWFLSA-N 0 0 441.597 3.824 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166395 568968505 /nfs/dbraw/zinc/96/85/05/568968505.db2.gz KHRYAMQPEADHQE-DEOSSOPVSA-N 0 0 438.549 3.779 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(NCCc4ccc(OC)c(OC)c4)nn3)n2)cc1 ZINC000064837905 568970058 /nfs/dbraw/zinc/97/00/58/568970058.db2.gz SHOUTFFYJIMANU-UHFFFAOYSA-N 0 0 433.468 3.874 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000064838643 568970209 /nfs/dbraw/zinc/97/02/09/568970209.db2.gz NPYJWNIPRIJKOA-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842644 568971099 /nfs/dbraw/zinc/97/10/99/568971099.db2.gz SAGDQFZIKQVTDG-UHFFFAOYSA-N 0 0 432.480 3.932 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)NCc1ccccc1Cl ZINC000064866405 568974496 /nfs/dbraw/zinc/97/44/96/568974496.db2.gz DZNUGVRJNVTLNS-UHFFFAOYSA-N 0 0 448.928 3.792 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210651 568974980 /nfs/dbraw/zinc/97/49/80/568974980.db2.gz MQPACAOOYUAPJF-WMZHIEFXSA-N 0 0 435.568 3.561 50 0 IHAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCO4)c2)c1C ZINC000064867229 568975013 /nfs/dbraw/zinc/97/50/13/568975013.db2.gz RHLWBEVIMPDCKW-UHFFFAOYSA-N 0 0 442.493 3.798 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(C)c2)CC3)cc1OC ZINC000064868420 568975461 /nfs/dbraw/zinc/97/54/61/568975461.db2.gz RNPWIBBDMHPHGR-UHFFFAOYSA-N 0 0 430.551 3.883 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036211829 568975694 /nfs/dbraw/zinc/97/56/94/568975694.db2.gz DMNDAQLZNGMMIW-QFIPXVFZSA-N 0 0 429.605 3.540 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2N1 ZINC000064869288 568975696 /nfs/dbraw/zinc/97/56/96/568975696.db2.gz NIROWEPXSMTVSS-UHFFFAOYSA-N 0 0 427.888 3.883 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2cc(C)c(C)cc2N1 ZINC000064869335 568975830 /nfs/dbraw/zinc/97/58/30/568975830.db2.gz FFGPDJMIEWCZQQ-UHFFFAOYSA-N 0 0 425.460 3.677 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)N[C@H](C)CCc2ccccc2)c2cc(C)c(C)cc2N1 ZINC000064869428 568975956 /nfs/dbraw/zinc/97/59/56/568975956.db2.gz KIWNYJOWZQGACT-LJQANCHMSA-N 0 0 449.551 3.646 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(OC)cc(OC)c2)=Nc2ccccc2N1 ZINC000064869479 568976057 /nfs/dbraw/zinc/97/60/57/568976057.db2.gz SYBYHDKWJYLOHW-UHFFFAOYSA-N 0 0 441.509 3.978 50 0 IHAARN CCc1nc2ccccc2c(=O)n1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000064867662 568977129 /nfs/dbraw/zinc/97/71/29/568977129.db2.gz SYXCHLYSLOSIKC-UHFFFAOYSA-N 0 0 425.286 3.744 50 0 IHAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccco4)cc3)n2)c1 ZINC000064873255 568978277 /nfs/dbraw/zinc/97/82/77/568978277.db2.gz MDVNLSGKHHNWMM-UHFFFAOYSA-N 0 0 429.476 3.685 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(Cl)cc1 ZINC000064889028 568980113 /nfs/dbraw/zinc/98/01/13/568980113.db2.gz GODNDDIZORXPIK-UHFFFAOYSA-N 0 0 434.949 3.749 50 0 IHAARN CC(C)c1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)cc1 ZINC000064892184 568982907 /nfs/dbraw/zinc/98/29/07/568982907.db2.gz OGMFSTWHYKFGJH-SFHVURJKSA-N 0 0 444.535 3.987 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036250535 568983738 /nfs/dbraw/zinc/98/37/38/568983738.db2.gz NVGNUOUSIAKWBE-SANMLTNESA-N 0 0 445.607 3.897 50 0 IHAARN CCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC ZINC000036253459 568984574 /nfs/dbraw/zinc/98/45/74/568984574.db2.gz ANCAZYIHVIMQSR-QGZVFWFLSA-N 0 0 436.622 3.714 50 0 IHAARN O=C(NCc1ccccc1F)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255468 568985066 /nfs/dbraw/zinc/98/50/66/568985066.db2.gz DELQZXZLHGWKHS-HSZRJFAPSA-N 0 0 441.522 3.598 50 0 IHAARN CCOc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)cc1 ZINC000064924609 568986176 /nfs/dbraw/zinc/98/61/76/568986176.db2.gz OQXCPLZEYUGBAG-UHFFFAOYSA-N 0 0 448.571 3.527 50 0 IHAARN COc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924726 568986220 /nfs/dbraw/zinc/98/62/20/568986220.db2.gz ZVHISLVBFVTNEH-UHFFFAOYSA-N 0 0 448.571 3.527 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1-n1nnc2cccnc21 ZINC000064925554 568986547 /nfs/dbraw/zinc/98/65/47/568986547.db2.gz ZUITVHSZGYGDCF-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4cccc(OC)c4)CC3)ccc2=O)cc1 ZINC000064927247 568987038 /nfs/dbraw/zinc/98/70/38/568987038.db2.gz HNZHWTHCDBCYLJ-UHFFFAOYSA-N 0 0 432.524 3.659 50 0 IHAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928888 568987296 /nfs/dbraw/zinc/98/72/96/568987296.db2.gz JFIPFZFZQAAUAN-IBGZPJMESA-N 0 0 436.943 3.727 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928366 568987574 /nfs/dbraw/zinc/98/75/74/568987574.db2.gz AVJOLPVWTCGUBE-KRWDZBQOSA-N 0 0 440.906 3.558 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)c1 ZINC000064929167 568988037 /nfs/dbraw/zinc/98/80/37/568988037.db2.gz YYTOENAXFFPVFF-LJQANCHMSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064929995 568988519 /nfs/dbraw/zinc/98/85/19/568988519.db2.gz LMHBDLRPZVVMPV-SFHVURJKSA-N 0 0 440.500 3.844 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064930254 568988699 /nfs/dbraw/zinc/98/86/99/568988699.db2.gz DXLOGEXWPKILDB-OAHLLOKOSA-N 0 0 440.456 3.636 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)NCc2ccccc2)s1 ZINC000064930533 568989043 /nfs/dbraw/zinc/98/90/43/568989043.db2.gz DRKKYWNJRVPNMN-KRWDZBQOSA-N 0 0 425.489 3.976 50 0 IHAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2S(=O)(=O)c2cccs2)s1 ZINC000064930927 568989306 /nfs/dbraw/zinc/98/93/06/568989306.db2.gz ISTAASVEJSIGND-CYBMUJFWSA-N 0 0 438.531 3.517 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3)s2)cc1C ZINC000064940948 568989513 /nfs/dbraw/zinc/98/95/13/568989513.db2.gz MBFSSPXAYNCDPU-GOSISDBHSA-N 0 0 442.566 3.933 50 0 IHAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)c1ccccc1 ZINC000169679033 568990228 /nfs/dbraw/zinc/99/02/28/568990228.db2.gz OOSFZCZXHNKDKU-QFBILLFUSA-N 0 0 441.597 3.682 50 0 IHAARN Cc1ccc(N2CCN(c3ccc(S(=O)(=O)c4ccc(C)c(C)c4)nn3)CC2)c(C)c1 ZINC000064943020 568992241 /nfs/dbraw/zinc/99/22/41/568992241.db2.gz LYODPLZGSHZOKF-UHFFFAOYSA-N 0 0 436.581 3.870 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c(Cl)c1 ZINC000064945695 568992887 /nfs/dbraw/zinc/99/28/87/568992887.db2.gz SYSDSPXMVDSCCF-UHFFFAOYSA-N 0 0 427.917 3.585 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2ccc(NCc3ccc(F)cc3)nn2)cc1 ZINC000064944976 568993470 /nfs/dbraw/zinc/99/34/70/568993470.db2.gz SCKOUSNDMLRGBF-UHFFFAOYSA-N 0 0 426.473 3.745 50 0 IHAARN O=c1n(Cc2ccc(Cl)cc2)nc2n1c1ccsc1c(=O)n2Cc1ccc(F)cc1 ZINC000064946247 568994060 /nfs/dbraw/zinc/99/40/60/568994060.db2.gz CADQYHYUQIHMHQ-UHFFFAOYSA-N 0 0 440.887 3.762 50 0 IHAARN O=c1n(Cc2ccc(Cl)cc2)nc2n1c1ccsc1c(=O)n2Cc1cccs1 ZINC000064946471 568994231 /nfs/dbraw/zinc/99/42/31/568994231.db2.gz HXOFPFJWVOMJBQ-UHFFFAOYSA-N 0 0 428.926 3.684 50 0 IHAARN C=Cc1ccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(OC)cc3)c2=O)cc1 ZINC000064946308 568994241 /nfs/dbraw/zinc/99/42/41/568994241.db2.gz GXUQIOVIIJYPLM-UHFFFAOYSA-N 0 0 444.516 3.621 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](C)O ZINC000036303810 568994276 /nfs/dbraw/zinc/99/42/76/568994276.db2.gz BUYNLUGSVBRMBD-GOSISDBHSA-N 0 0 425.529 3.811 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2ccccc2C)no1 ZINC000064948494 568994486 /nfs/dbraw/zinc/99/44/86/568994486.db2.gz LLRZYLWENHDAPH-UHFFFAOYSA-N 0 0 439.493 3.788 50 0 IHAARN CC(C)c1nnc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3ccccc3n21 ZINC000064949262 568995009 /nfs/dbraw/zinc/99/50/09/568995009.db2.gz SZCZWOFRCZAEOP-UHFFFAOYSA-N 0 0 435.509 3.903 50 0 IHAARN O=C(COc1ccccc1)N1CCN([C@@H](C(=O)Nc2ccc(F)cc2)C2CCCC2)CC1 ZINC000036311217 568997061 /nfs/dbraw/zinc/99/70/61/568997061.db2.gz FLWFVDNYOLHCSW-XMMPIXPASA-N 0 0 439.531 3.546 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000036311991 568997398 /nfs/dbraw/zinc/99/73/98/568997398.db2.gz ZLPRMMYRGNNNPD-QHCPKHFHSA-N 0 0 442.604 3.723 50 0 IHAARN CCc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4Cl)CC3)[nH]c2=O)cc1 ZINC000036314113 568998901 /nfs/dbraw/zinc/99/89/01/568998901.db2.gz PESUKDJDOQEBJV-UHFFFAOYSA-N 0 0 437.931 3.565 50 0 IHAARN CC(C)(C)c1ccc2oc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nc2c1 ZINC000064957227 568999457 /nfs/dbraw/zinc/99/94/57/568999457.db2.gz VSIXUCSIEVPJMK-UHFFFAOYSA-N 0 0 449.523 3.910 50 0 IHAARN COc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000064959185 568999777 /nfs/dbraw/zinc/99/97/77/568999777.db2.gz JAAIUGRZMGKQTB-OAHLLOKOSA-N 0 0 448.475 3.566 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1F)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971071 569076519 /nfs/dbraw/zinc/07/65/19/569076519.db2.gz VZWOSUFNLKHYJJ-HXUWFJFHSA-N 0 0 433.487 3.606 50 0 IHAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3ccc4c(c3)OCO4)cc2=O)s1 ZINC000064976861 569077247 /nfs/dbraw/zinc/07/72/47/569077247.db2.gz NGVSYBBJIXEGBV-UHFFFAOYSA-N 0 0 449.488 3.933 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C ZINC000064977084 569077364 /nfs/dbraw/zinc/07/73/64/569077364.db2.gz GKYDLJWMNHXADK-UHFFFAOYSA-N 0 0 436.961 3.762 50 0 IHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000064977934 569077783 /nfs/dbraw/zinc/07/77/83/569077783.db2.gz LFCJEYCGXYDWIM-UHFFFAOYSA-N 0 0 443.960 3.693 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000036341435 569079333 /nfs/dbraw/zinc/07/93/33/569079333.db2.gz MWIFPGUJNJAXGY-QFIPXVFZSA-N 0 0 437.540 3.876 50 0 IHAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3ccccc3)C2)c1 ZINC000036342614 569079474 /nfs/dbraw/zinc/07/94/74/569079474.db2.gz IWEPWPCBTMHYOS-DEOSSOPVSA-N 0 0 433.552 3.820 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985321 569081845 /nfs/dbraw/zinc/08/18/45/569081845.db2.gz RESUASPGEFCEJW-NRFANRHFSA-N 0 0 442.924 3.613 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985268 569081847 /nfs/dbraw/zinc/08/18/47/569081847.db2.gz ZQWAGWUDALMUPW-HXUWFJFHSA-N 0 0 428.897 3.935 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985272 569081884 /nfs/dbraw/zinc/08/18/84/569081884.db2.gz IPGRVDXNPGNHCL-FQEVSTJZSA-N 0 0 428.897 3.935 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985269 569081898 /nfs/dbraw/zinc/08/18/98/569081898.db2.gz ZQWAGWUDALMUPW-FQEVSTJZSA-N 0 0 428.897 3.935 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985372 569081999 /nfs/dbraw/zinc/08/19/99/569081999.db2.gz ZKSJLZRCNLSFHK-HXUWFJFHSA-N 0 0 430.432 3.560 50 0 IHAARN O=C1Nc2ccccc2Oc2cc(N3CCCC3)c(S(=O)(=O)N3CCCCC3)cc21 ZINC000064986546 569082176 /nfs/dbraw/zinc/08/21/76/569082176.db2.gz POSDTPNECKAFHM-UHFFFAOYSA-N 0 0 427.526 3.819 50 0 IHAARN Cc1nc(-c2nnn(-c3ccc(C)cc3)c2C)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000064998495 569085148 /nfs/dbraw/zinc/08/51/48/569085148.db2.gz OAJWIWPPOFSQEC-UHFFFAOYSA-N 0 0 447.520 3.975 50 0 IHAARN Cn1cnc2c(C(=O)Nc3cccc(C(F)(F)F)c3)nn(-c3ccc(F)cc3)c2c1=O ZINC000064998394 569085150 /nfs/dbraw/zinc/08/51/50/569085150.db2.gz YCSFWMFFJVINLO-UHFFFAOYSA-N 0 0 431.349 3.529 50 0 IHAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N1CCN(C(C)C)CC1 ZINC000064998708 569085505 /nfs/dbraw/zinc/08/55/05/569085505.db2.gz WLJYBOLGFOFVQH-UHFFFAOYSA-N 0 0 438.601 3.791 50 0 IHAARN CCOCCCNC(=O)c1c(=O)n(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000909 569086159 /nfs/dbraw/zinc/08/61/59/569086159.db2.gz ACEQAHWJNWOHOJ-UHFFFAOYSA-N 0 0 430.932 3.802 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)CCn3sc4ccccc4c3=O)s2)cc1 ZINC000036360492 569086396 /nfs/dbraw/zinc/08/63/96/569086396.db2.gz FYXJVEJZESAPHW-UHFFFAOYSA-N 0 0 426.523 3.543 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000036360683 569086666 /nfs/dbraw/zinc/08/66/66/569086666.db2.gz KAPSCCONFHDGEW-LEWJYISDSA-N 0 0 449.532 3.798 50 0 IHAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000036366868 569087363 /nfs/dbraw/zinc/08/73/63/569087363.db2.gz PKTSCPWLWWPWAL-JOCHJYFZSA-N 0 0 438.503 3.849 50 0 IHAARN COCCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065007031 569087522 /nfs/dbraw/zinc/08/75/22/569087522.db2.gz MEEDWNOEWUDVOT-OAHLLOKOSA-N 0 0 447.576 3.899 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)ncn2)cc1 ZINC000065007545 569087626 /nfs/dbraw/zinc/08/76/26/569087626.db2.gz IJKZTLSGUFTXFL-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)ncn2)c1 ZINC000065007717 569087746 /nfs/dbraw/zinc/08/77/46/569087746.db2.gz TZPPGCFRTLRARA-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)ncn2)c1 ZINC000065007699 569087787 /nfs/dbraw/zinc/08/77/87/569087787.db2.gz XWTLBVHFYILNNI-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C ZINC000036369894 569088453 /nfs/dbraw/zinc/08/84/53/569088453.db2.gz NYXKQFHTPIADPF-UHFFFAOYSA-N 0 0 425.533 3.568 50 0 biogenic IHAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N[C@H](C)C(=O)N4CCCCC4)cc3)ccc21 ZINC000065026901 569089948 /nfs/dbraw/zinc/08/99/48/569089948.db2.gz GKZSZBSEZFALCF-GOSISDBHSA-N 0 0 433.552 3.784 50 0 IHAARN COc1ccc(Cn2nnc3cc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc32)cc1 ZINC000065030187 569091237 /nfs/dbraw/zinc/09/12/37/569091237.db2.gz YHPONSWELFGCIZ-UHFFFAOYSA-N 0 0 448.479 3.766 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)CC1 ZINC000065031256 569091434 /nfs/dbraw/zinc/09/14/34/569091434.db2.gz DTJHDQYZORCXRR-UHFFFAOYSA-N 0 0 433.555 3.539 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1 ZINC000065034605 569092097 /nfs/dbraw/zinc/09/20/97/569092097.db2.gz NPJMJMWNWHUWRT-UHFFFAOYSA-N 0 0 443.544 3.760 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 ZINC000169752544 569093247 /nfs/dbraw/zinc/09/32/47/569093247.db2.gz UWFSNSGTTWGPGH-UHFFFAOYSA-N 0 0 430.508 3.637 50 0 IHAARN COc1ccc(OCC(=O)N2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000169753028 569093398 /nfs/dbraw/zinc/09/33/98/569093398.db2.gz UXFFGQDFQIATOY-UHFFFAOYSA-N 0 0 440.931 3.856 50 0 IHAARN COc1ccc(OCC(=O)N[C@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169753454 569093552 /nfs/dbraw/zinc/09/35/52/569093552.db2.gz IFLVSBQRCFOHOT-SFHVURJKSA-N 0 0 440.931 3.903 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000169753783 569093713 /nfs/dbraw/zinc/09/37/13/569093713.db2.gz SHWUJVYMMWNRQR-QGZVFWFLSA-N 0 0 426.904 3.756 50 0 IHAARN CCOc1ccccc1C(=O)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754944 569093932 /nfs/dbraw/zinc/09/39/32/569093932.db2.gz WBMOPMRBTLPLEX-UHFFFAOYSA-N 0 0 444.329 3.762 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000036389827 569096537 /nfs/dbraw/zinc/09/65/37/569096537.db2.gz DUUBQDCUJLXIEJ-UHFFFAOYSA-N 0 0 437.974 3.871 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)c3ccc(F)cc3F)cn2)c1 ZINC000036390644 569096924 /nfs/dbraw/zinc/09/69/24/569096924.db2.gz ZDRBSWSYMBDKRH-UHFFFAOYSA-N 0 0 425.435 3.815 50 0 IHAARN C[C@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000036393385 569098400 /nfs/dbraw/zinc/09/84/00/569098400.db2.gz YPRWIOHOYNXOIE-HNNXBMFYSA-N 0 0 433.541 3.628 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000065074975 569099457 /nfs/dbraw/zinc/09/94/57/569099457.db2.gz WQGQDHSKIFQEIW-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077644 569100462 /nfs/dbraw/zinc/10/04/62/569100462.db2.gz WRBDVAVOUUOLDS-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1C ZINC000065078197 569100889 /nfs/dbraw/zinc/10/08/89/569100889.db2.gz ZCJCHQKWWSNQAF-AWEZNQCLSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4c[nH]c5ccccc45)ccn3n2)c(C)c1 ZINC000169775746 569101835 /nfs/dbraw/zinc/10/18/35/569101835.db2.gz CKFPZDZUCIDYET-UHFFFAOYSA-N 0 0 439.519 3.620 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5ccccc5n4)ccn3n2)c(C)c1 ZINC000169775720 569101857 /nfs/dbraw/zinc/10/18/57/569101857.db2.gz WCUNPLJAPZIVFI-UHFFFAOYSA-N 0 0 437.503 3.758 50 0 IHAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)cs2)cc1 ZINC000169775476 569101869 /nfs/dbraw/zinc/10/18/69/569101869.db2.gz HALONUGULKLHRO-FQEVSTJZSA-N 0 0 446.532 3.856 50 0 IHAARN CCOc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 ZINC000169775785 569101871 /nfs/dbraw/zinc/10/18/71/569101871.db2.gz LLONSSNRPJYZMY-UHFFFAOYSA-N 0 0 430.508 3.609 50 0 IHAARN Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccncc2)ccc1F ZINC000065083241 569102214 /nfs/dbraw/zinc/10/22/14/569102214.db2.gz VCPCHZOQBMRCLB-UHFFFAOYSA-N 0 0 442.498 3.739 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Nc4ccc(F)cc4)sc3C2)cc1 ZINC000065083474 569102265 /nfs/dbraw/zinc/10/22/65/569102265.db2.gz OOYXEABQPRMMBU-UHFFFAOYSA-N 0 0 446.529 3.982 50 0 IHAARN CCN1c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169780569 569102993 /nfs/dbraw/zinc/10/29/93/569102993.db2.gz BRQVYQWJNKRYLB-QHCPKHFHSA-N 0 0 434.540 3.568 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c2c1[C@@H](C)CC2=O ZINC000036406044 569103310 /nfs/dbraw/zinc/10/33/10/569103310.db2.gz OTNWBMMBHCSSIZ-JYJNAYRXSA-N 0 0 443.569 3.768 50 0 IHAARN COc1ccc2oc(-c3noc(CNS(=O)(=O)c4ccc(Cl)cc4)n3)c(C)c2c1 ZINC000065097235 569103693 /nfs/dbraw/zinc/10/36/93/569103693.db2.gz WZCHBICAGMEKRT-UHFFFAOYSA-N 0 0 433.873 3.932 50 0 IHAARN O=C(Cn1c(=O)nc(NCc2ccc3c(c2)OCO3)c2ccccc21)Nc1cccc(F)c1 ZINC000065101954 569106052 /nfs/dbraw/zinc/10/60/52/569106052.db2.gz LJOQIUJEYMEAMR-UHFFFAOYSA-N 0 0 446.438 3.515 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc(N(C)C)c4)CC3)n2)cc1 ZINC000065111505 569106504 /nfs/dbraw/zinc/10/65/04/569106504.db2.gz KBMUTDOBNFJBCU-UHFFFAOYSA-N 0 0 433.512 3.781 50 0 IHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2onc(C(=O)N3CCCCC3)c2c1 ZINC000065115295 569106762 /nfs/dbraw/zinc/10/67/62/569106762.db2.gz RCSAFJABMFYPPM-UHFFFAOYSA-N 0 0 427.526 3.978 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000065115940 569107019 /nfs/dbraw/zinc/10/70/19/569107019.db2.gz NRBPGCLNDLNYHH-UHFFFAOYSA-N 0 0 437.424 3.696 50 0 IHAARN CCOc1ccc(CNS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)cc1 ZINC000065115895 569107025 /nfs/dbraw/zinc/10/70/25/569107025.db2.gz LFTMFTDZVVXDSB-UHFFFAOYSA-N 0 0 443.525 3.794 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000065116306 569107379 /nfs/dbraw/zinc/10/73/79/569107379.db2.gz RSMULUUVAYTYMF-UHFFFAOYSA-N 0 0 439.537 3.918 50 0 IHAARN O=C(NC1CCCCCCC1)c1nc(CCS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000065117402 569107650 /nfs/dbraw/zinc/10/76/50/569107650.db2.gz PCDHALYLTOYGJM-UHFFFAOYSA-N 0 0 425.938 3.582 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000065112185 569108078 /nfs/dbraw/zinc/10/80/78/569108078.db2.gz RFXMBSQMQFUOSU-UHFFFAOYSA-N 0 0 443.525 3.712 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1-c1ccc(F)cc1 ZINC000065112828 569108323 /nfs/dbraw/zinc/10/83/23/569108323.db2.gz YCMNMDMZFHMNPI-UHFFFAOYSA-N 0 0 438.415 3.590 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21 ZINC000065113432 569108378 /nfs/dbraw/zinc/10/83/78/569108378.db2.gz QHKVZDZKGXKLOM-UHFFFAOYSA-N 0 0 442.475 3.625 50 0 IHAARN CCc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccc(OC)cc4)oc3C)c2N)cc1 ZINC000065113685 569108579 /nfs/dbraw/zinc/10/85/79/569108579.db2.gz GBVXJGAIMOMCEZ-UHFFFAOYSA-N 0 0 432.484 3.695 50 0 IHAARN Cc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000065117849 569108772 /nfs/dbraw/zinc/10/87/72/569108772.db2.gz PCNULTFALJOFAR-UHFFFAOYSA-N 0 0 432.406 3.813 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)C(=O)C3=O)cc2)cc1F ZINC000065130183 569109083 /nfs/dbraw/zinc/10/90/83/569109083.db2.gz XLIPRJZLQHQAPR-UHFFFAOYSA-N 0 0 431.467 3.762 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)cc1F ZINC000065130285 569109197 /nfs/dbraw/zinc/10/91/97/569109197.db2.gz SPGGLWVEWOQZEI-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(CC)cc3)nn2)C1 ZINC000065131960 569109654 /nfs/dbraw/zinc/10/96/54/569109654.db2.gz HWVUTGRVGUYHFQ-SFHVURJKSA-N 0 0 441.601 3.512 50 0 IHAARN CSc1cccc(NC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)c1 ZINC000065129958 569110156 /nfs/dbraw/zinc/11/01/56/569110156.db2.gz FINVJMAZJRLNDT-UHFFFAOYSA-N 0 0 437.565 3.774 50 0 IHAARN CCn1nccc1-c1cccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000065137297 569110370 /nfs/dbraw/zinc/11/03/70/569110370.db2.gz VXSQAHQTTWKSOP-UHFFFAOYSA-N 0 0 443.916 3.752 50 0 IHAARN Cn1c2ccc(-c3noc(CNC(=O)C(c4ccccc4)c4ccccc4)n3)cc2oc1=O ZINC000065138184 569110566 /nfs/dbraw/zinc/11/05/66/569110566.db2.gz SQUBERNANRQXNQ-UHFFFAOYSA-N 0 0 440.459 3.630 50 0 IHAARN O=C(Cn1c(=O)cccc1-c1nc(-c2cccc(F)c2)no1)Nc1cc(F)ccc1F ZINC000065150313 569111063 /nfs/dbraw/zinc/11/10/63/569111063.db2.gz WBRBLOKHJJVKIN-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN O=C(Cn1c(=O)cccc1-c1nc(-c2ccccc2F)no1)Nc1ccc(F)cc1F ZINC000065150340 569111082 /nfs/dbraw/zinc/11/10/82/569111082.db2.gz XYOQCHSKMRFULK-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3cccc(Cl)c3)nc12 ZINC000065151039 569111568 /nfs/dbraw/zinc/11/15/68/569111568.db2.gz SANKCUNVNUGCAF-UHFFFAOYSA-N 0 0 439.928 3.897 50 0 IHAARN CSc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065154435 569112212 /nfs/dbraw/zinc/11/22/12/569112212.db2.gz BJQDVDBGIWZZSW-UHFFFAOYSA-N 0 0 446.532 3.967 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3ccccc3[C@@](O)(c3cccc(Cl)c3)C2=O)cc1 ZINC000065155537 569112496 /nfs/dbraw/zinc/11/24/96/569112496.db2.gz DHPADDRDQBTZHT-DEOSSOPVSA-N 0 0 436.895 3.960 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C3)cc1 ZINC000065169078 569112659 /nfs/dbraw/zinc/11/26/59/569112659.db2.gz SWOQPRMARAPJQS-UHFFFAOYSA-N 0 0 445.928 3.561 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172576 569113274 /nfs/dbraw/zinc/11/32/74/569113274.db2.gz YUFOHZBFTLCBDF-UHFFFAOYSA-N 0 0 432.524 3.763 50 0 IHAARN COc1cc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)cc(OC)c1OC ZINC000065185532 569114281 /nfs/dbraw/zinc/11/42/81/569114281.db2.gz YXTCFISQTSSLMQ-UHFFFAOYSA-N 0 0 426.404 3.851 50 0 IHAARN O=C(CC1CCCCC1)N1CCC[C@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000065179067 569114645 /nfs/dbraw/zinc/11/46/45/569114645.db2.gz QPGYIDHIJOARFF-NRFANRHFSA-N 0 0 428.573 3.747 50 0 IHAARN CCOc1ccccc1C(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1 ZINC000065200590 569115211 /nfs/dbraw/zinc/11/52/11/569115211.db2.gz SAOXPYJAZPCHPD-UHFFFAOYSA-N 0 0 428.602 3.736 50 0 IHAARN CSc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)cc1 ZINC000065195544 569115435 /nfs/dbraw/zinc/11/54/35/569115435.db2.gz GFTPUKZKYBHNFX-QGZVFWFLSA-N 0 0 435.549 3.699 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1cc(F)cc(F)c1 ZINC000065209369 569116127 /nfs/dbraw/zinc/11/61/27/569116127.db2.gz FCIJNIKTDKUFGM-SFHVURJKSA-N 0 0 430.480 3.615 50 0 IHAARN O=C(N[C@@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1cccc(Br)c1 ZINC000065209490 569116238 /nfs/dbraw/zinc/11/62/38/569116238.db2.gz MWBKMHUBQAAIRS-QGZVFWFLSA-N 0 0 427.302 3.952 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCc2cccc(F)c2)cc1 ZINC000065210202 569116282 /nfs/dbraw/zinc/11/62/82/569116282.db2.gz KMMCFTAFBBXSJH-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000065210577 569116355 /nfs/dbraw/zinc/11/63/55/569116355.db2.gz NAXNDXPKVNNDEB-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN CCC(=O)Nc1ccc2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)n2c1 ZINC000065209835 569116444 /nfs/dbraw/zinc/11/64/44/569116444.db2.gz GGNNWIQMNYEELV-UHFFFAOYSA-N 0 0 443.463 3.768 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)Cn1ccc3ccn(Cc4ccccc4C)c3c1=O)CCO2 ZINC000065220321 569117306 /nfs/dbraw/zinc/11/73/06/569117306.db2.gz HGDMMAQSRLISDF-UHFFFAOYSA-N 0 0 427.504 3.894 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c(OC)c1 ZINC000065229560 569118136 /nfs/dbraw/zinc/11/81/36/569118136.db2.gz WTWAKOWCXXTFRL-UHFFFAOYSA-N 0 0 436.512 3.595 50 0 IHAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1=O ZINC000065241614 569118875 /nfs/dbraw/zinc/11/88/75/569118875.db2.gz FODMYOLZGDWSOJ-UHFFFAOYSA-N 0 0 427.482 3.624 50 0 IHAARN COc1ccc(CCC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1 ZINC000065232251 569119027 /nfs/dbraw/zinc/11/90/27/569119027.db2.gz FBLRKSCOCONNAV-UHFFFAOYSA-N 0 0 439.556 3.957 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCCC5)n4)ccn3n2)cc1C ZINC000065235842 569119363 /nfs/dbraw/zinc/11/93/63/569119363.db2.gz PNWHEQIIFGAQQH-UHFFFAOYSA-N 0 0 446.555 3.977 50 0 IHAARN C=C1C(N2CCC(NC(=O)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239180 569120080 /nfs/dbraw/zinc/12/00/80/569120080.db2.gz CAJRYFJJLQXUOL-UHFFFAOYSA-N 0 0 429.586 3.629 50 0 IHAARN C=C1C(N2CCC(NC(=O)C(C)(C)CC)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239218 569120244 /nfs/dbraw/zinc/12/02/44/569120244.db2.gz XNPFFTWSZFEAOM-UHFFFAOYSA-N 0 0 437.993 3.830 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239274 569120401 /nfs/dbraw/zinc/12/04/01/569120401.db2.gz DQLPOOSUGSKJAU-UHFFFAOYSA-N 0 0 437.993 3.783 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239448 569120468 /nfs/dbraw/zinc/12/04/68/569120468.db2.gz RQJCOZKXDDANTG-UHFFFAOYSA-N 0 0 429.586 3.583 50 0 IHAARN O=C(Cn1c(=O)c2cc(-c3cccs3)nn2c2ncccc21)Nc1ccc(F)cc1F ZINC000065240258 569120736 /nfs/dbraw/zinc/12/07/36/569120736.db2.gz PNWIGMOAYPBINW-UHFFFAOYSA-N 0 0 437.431 3.690 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)cc1F ZINC000065240800 569120828 /nfs/dbraw/zinc/12/08/28/569120828.db2.gz TWJMZCMSGFWFFE-UHFFFAOYSA-N 0 0 426.517 3.932 50 0 IHAARN CCc1csc(-c2ccc(N3CCN(C(=O)c4nn(C)c5ccccc54)CC3)nc2)n1 ZINC000065240770 569120861 /nfs/dbraw/zinc/12/08/61/569120861.db2.gz BTXSSGVSCRGXKV-UHFFFAOYSA-N 0 0 432.553 3.617 50 0 IHAARN CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C2)ncn1 ZINC000065244844 569121595 /nfs/dbraw/zinc/12/15/95/569121595.db2.gz QPMFDNRLCDYNPN-OAQYLSRUSA-N 0 0 436.604 3.644 50 0 IHAARN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(c4cccc(C)c4)CC3)C2)ncn1 ZINC000065245068 569121655 /nfs/dbraw/zinc/12/16/55/569121655.db2.gz AKXOEIXTDODMBV-OAQYLSRUSA-N 0 0 436.604 3.562 50 0 IHAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1c(Cl)cnn1Cc1cnn(C)c1 ZINC000036615880 569122666 /nfs/dbraw/zinc/12/26/66/569122666.db2.gz MZCLLNBCPVUHGC-UHFFFAOYSA-N 0 0 438.923 3.603 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCc3cnn(-c4ccccc4)c3)c3cnn(C)c3n2)cc1 ZINC000036616140 569122722 /nfs/dbraw/zinc/12/27/22/569122722.db2.gz IRJGPASOBFQNIH-UHFFFAOYSA-N 0 0 438.491 3.760 50 0 IHAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl ZINC000036616146 569122764 /nfs/dbraw/zinc/12/27/64/569122764.db2.gz NMDZFDVASDOSEF-UHFFFAOYSA-N 0 0 438.923 3.603 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cc(Cl)cn3)c3cnn(C)c3n2)cc1 ZINC000036613337 569123833 /nfs/dbraw/zinc/12/38/33/569123833.db2.gz DWBCTHBWLCBORR-CQSZACIVSA-N 0 0 438.919 3.560 50 0 IHAARN COCCN=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000065259879 569124806 /nfs/dbraw/zinc/12/48/06/569124806.db2.gz NDFKJGCUJKLWCY-QFIPXVFZSA-N 0 0 430.911 3.846 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC2CCCC2)c(OC)n1 ZINC000065259950 569124874 /nfs/dbraw/zinc/12/48/74/569124874.db2.gz HOCBNZLQGSZXPB-RUZDIDTESA-N 0 0 449.555 3.762 50 0 IHAARN COCCN=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Cc1c(F)cccc1Cl)C2 ZINC000065259882 569124878 /nfs/dbraw/zinc/12/48/78/569124878.db2.gz GFMSDLJHDRITPS-HSZRJFAPSA-N 0 0 444.938 3.775 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)c(OC)n1 ZINC000065260042 569124933 /nfs/dbraw/zinc/12/49/33/569124933.db2.gz PZZJIECVRZOMLB-XMMPIXPASA-N 0 0 437.544 3.617 50 0 IHAARN C[C@@H](NC(=O)CCn1c2nn(C)cc2c(C(F)F)cc1=O)c1ccc(-n2cccc2)cc1 ZINC000036621285 569126061 /nfs/dbraw/zinc/12/60/61/569126061.db2.gz SCJLQFKWJARIQM-OAHLLOKOSA-N 0 0 439.466 3.731 50 0 IHAARN COc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c(OC)c1 ZINC000065265965 569127233 /nfs/dbraw/zinc/12/72/33/569127233.db2.gz BEYWDYSQAOOAJC-RUZDIDTESA-N 0 0 436.556 3.510 50 0 IHAARN CCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2ccc(C)c(N3CCCC3=O)c2)C1 ZINC000065271106 569127702 /nfs/dbraw/zinc/12/77/02/569127702.db2.gz RHUGOAHIPWQXJZ-LJQANCHMSA-N 0 0 431.540 3.906 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2cn(C)c(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524734655 569127785 /nfs/dbraw/zinc/12/77/85/569127785.db2.gz ZFVMWHUMJDMKNR-NRFANRHFSA-N 0 0 445.519 3.511 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCC(c3ccccc3)CC1)C=C2 ZINC000524735799 569128176 /nfs/dbraw/zinc/12/81/76/569128176.db2.gz YZNJHGPPMLLGIO-UHFFFAOYSA-N 0 0 434.536 3.856 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000065273481 569129619 /nfs/dbraw/zinc/12/96/19/569129619.db2.gz JNNBIVMIZZCYJI-AWEZNQCLSA-N 0 0 432.977 3.599 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273584 569129692 /nfs/dbraw/zinc/12/96/92/569129692.db2.gz IJDLTKASCCAONL-GOSISDBHSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1F ZINC000065273644 569129921 /nfs/dbraw/zinc/12/99/21/569129921.db2.gz LNXWOAQUVZCDGS-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1oc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C(=O)N1CCC(C)CC1 ZINC000065293846 569131070 /nfs/dbraw/zinc/13/10/70/569131070.db2.gz IOMSYBOTNQXOLG-UHFFFAOYSA-N 0 0 433.574 3.567 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccccc3)CC2)cc1 ZINC000065297158 569131713 /nfs/dbraw/zinc/13/17/13/569131713.db2.gz OEDREMRSIARAAS-UHFFFAOYSA-N 0 0 447.564 3.690 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307875 569132561 /nfs/dbraw/zinc/13/25/61/569132561.db2.gz NZDLVBKSCOKDQR-UHFFFAOYSA-N 0 0 436.903 3.852 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN=C1N1CCN(c2cccc(Cl)c2)CC1 ZINC000065306476 569133282 /nfs/dbraw/zinc/13/32/82/569133282.db2.gz VDVISLBKZGJIHL-UHFFFAOYSA-N 0 0 436.865 3.993 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cc(C)ccc3C)nn2)CC1 ZINC000065315300 569134017 /nfs/dbraw/zinc/13/40/17/569134017.db2.gz NHMNUDXGIKMAEX-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN CC(C)n1nccc1C(=O)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 ZINC000036708152 569134845 /nfs/dbraw/zinc/13/48/45/569134845.db2.gz PYIPXMSTWIUYGV-UHFFFAOYSA-N 0 0 439.463 3.935 50 0 IHAARN CCN(CC)c1nc2nc(SCC(=O)NC3CCCCC3)n(C(C)C)c(=O)c2s1 ZINC000065319456 569134934 /nfs/dbraw/zinc/13/49/34/569134934.db2.gz SLRSMPSZRYADCK-UHFFFAOYSA-N 0 0 437.635 3.821 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cccc(C)c1 ZINC000065319943 569136037 /nfs/dbraw/zinc/13/60/37/569136037.db2.gz STSOHBFPZRXTMX-UHFFFAOYSA-N 0 0 429.571 3.512 50 0 IHAARN CCOc1ccc(-c2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)on2)cc1OCC ZINC000065329537 569136938 /nfs/dbraw/zinc/13/69/38/569136938.db2.gz MRVXLZGACFATDE-UHFFFAOYSA-N 0 0 438.440 3.540 50 0 IHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c12 ZINC000036753000 569137623 /nfs/dbraw/zinc/13/76/23/569137623.db2.gz UXXXQFGVDDGLCD-XMMPIXPASA-N 0 0 441.447 3.505 50 0 IHAARN COc1cc2c3nc(-c4ccccc4)nn3c(=O)n(Cc3ccccc3F)c2cc1OC ZINC000065534788 569139368 /nfs/dbraw/zinc/13/93/68/569139368.db2.gz UKKLNKAQYWNLFP-UHFFFAOYSA-N 0 0 430.439 3.916 50 0 IHAARN C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1)n1cccn1 ZINC000065565653 569139403 /nfs/dbraw/zinc/13/94/03/569139403.db2.gz ZHZFTHXALJFIGR-GCJKJVERSA-N 0 0 448.527 3.691 50 0 IHAARN C[C@@H](Oc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1)c1ccccc1 ZINC000065538133 569139534 /nfs/dbraw/zinc/13/95/34/569139534.db2.gz OAMPNPUDBVEKFK-LJQANCHMSA-N 0 0 445.519 3.875 50 0 IHAARN Cc1cc(NC(=O)N2CCC(c3nc(C)no3)CC2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000170594791 569141586 /nfs/dbraw/zinc/14/15/86/569141586.db2.gz STIJHCNJIQMBSF-UHFFFAOYSA-N 0 0 435.410 3.697 50 0 IHAARN C[C@H](NCc1cc(Br)cc(Br)c1N)c1nnc2n1CCCC2 ZINC000170596334 569141883 /nfs/dbraw/zinc/14/18/83/569141883.db2.gz WOUZWQZZOZWTFB-VIFPVBQESA-N 0 0 429.160 3.572 50 0 IHAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)OC(C)(C)C)C1 ZINC000170607583 569144261 /nfs/dbraw/zinc/14/42/61/569144261.db2.gz GCUPJYBUWHDRGZ-OLZOCXBDSA-N 0 0 427.588 3.592 50 0 IHAARN C[C@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000170609180 569144621 /nfs/dbraw/zinc/14/46/21/569144621.db2.gz WKLHCYYOGKEDPY-CYBMUJFWSA-N 0 0 437.447 3.675 50 0 IHAARN COc1cc(NC(=O)CCNC(=O)C(C)(C)C)c(Br)cc1Br ZINC000170612199 569145910 /nfs/dbraw/zinc/14/59/10/569145910.db2.gz IALLCTWFPCGREH-UHFFFAOYSA-N 0 0 436.144 3.711 50 0 IHAARN CCO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000170615518 569146498 /nfs/dbraw/zinc/14/64/98/569146498.db2.gz UZWVKMVWWQKSCP-AVRDEDQJSA-N 0 0 430.570 3.757 50 0 IHAARN Cn1cc([C@H]2[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCCC3)CCC(=O)N2C)cn1 ZINC000170627121 569148652 /nfs/dbraw/zinc/14/86/52/569148652.db2.gz AKXBIOIPDSJHIC-FPOVZHCZSA-N 0 0 428.964 3.611 50 0 IHAARN CC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000170626638 569148759 /nfs/dbraw/zinc/14/87/59/569148759.db2.gz OOSBQEAIZQFNQH-ZIAGYGMSSA-N 0 0 427.339 3.738 50 0 IHAARN O=C(CCNC(=O)c1cc(F)ccc1Br)NC1(c2nccs2)CCCC1 ZINC000170629094 569148871 /nfs/dbraw/zinc/14/88/71/569148871.db2.gz YIHSPRGMTUBGRU-UHFFFAOYSA-N 0 0 440.338 3.750 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000009869809 569149356 /nfs/dbraw/zinc/14/93/56/569149356.db2.gz PRXDAZJGADKQSQ-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009882150 569149525 /nfs/dbraw/zinc/14/95/25/569149525.db2.gz OPKDPYBHFFMAPD-SFHVURJKSA-N 0 0 446.500 3.659 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)s1 ZINC000010025465 569151564 /nfs/dbraw/zinc/15/15/64/569151564.db2.gz VRPUECWISGOHJI-UHFFFAOYSA-N 0 0 437.546 3.748 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010026798 569151662 /nfs/dbraw/zinc/15/16/62/569151662.db2.gz NDPIPUYWTSPFDO-CQSZACIVSA-N 0 0 449.492 3.829 50 0 IHAARN Cc1cc(O)c(C(c2ccc(Cl)cc2Cl)c2c(O)cc(C)n(C)c2=O)c(=O)n1C ZINC000010217716 569153397 /nfs/dbraw/zinc/15/33/97/569153397.db2.gz TZMPENUXKAJSPM-UHFFFAOYSA-N 0 0 435.307 3.599 50 0 IHAARN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000071823396 569154606 /nfs/dbraw/zinc/15/46/06/569154606.db2.gz NIVJOFNVFPSYHT-UHFFFAOYSA-N 0 0 448.267 3.523 50 0 IHAARN CCOc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 ZINC000013526504 569155494 /nfs/dbraw/zinc/15/54/94/569155494.db2.gz CCDSNTQFQNBJJL-UHFFFAOYSA-N 0 0 437.887 3.652 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000013572242 569155756 /nfs/dbraw/zinc/15/57/56/569155756.db2.gz GAWXOOSDAWRQEC-CABCVRRESA-N 0 0 448.013 3.886 50 0 IHAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1 ZINC000013654639 569156382 /nfs/dbraw/zinc/15/63/82/569156382.db2.gz QCAVZOSLPMRZJP-UHFFFAOYSA-N 0 0 426.519 3.706 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000013714461 569156820 /nfs/dbraw/zinc/15/68/20/569156820.db2.gz ZOUZGQOPFYUBRJ-UHFFFAOYSA-N 0 0 439.899 3.957 50 0 IHAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)[C@H](C)Oc4ccccc4F)c3)cn2n1 ZINC000013710489 569156827 /nfs/dbraw/zinc/15/68/27/569156827.db2.gz WAFSCPHRMJNKTG-AWEZNQCLSA-N 0 0 436.443 3.959 50 0 IHAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)C1 ZINC000013790052 569156992 /nfs/dbraw/zinc/15/69/92/569156992.db2.gz WZBISNZQWTZNMU-MRVPVSSYSA-N 0 0 440.399 3.789 50 0 IHAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 ZINC000013790263 569156999 /nfs/dbraw/zinc/15/69/99/569156999.db2.gz PMXMFZFYEWXDPO-SNVBAGLBSA-N 0 0 434.370 3.727 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1cccc2ncccc21 ZINC000014070229 569157713 /nfs/dbraw/zinc/15/77/13/569157713.db2.gz SWOUSLRBLPAIOF-UHFFFAOYSA-N 0 0 446.414 3.840 50 0 IHAARN O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014253636 569158321 /nfs/dbraw/zinc/15/83/21/569158321.db2.gz RFCXBBWCSSPVLF-UHFFFAOYSA-N 0 0 438.880 3.567 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 ZINC000014259677 569158378 /nfs/dbraw/zinc/15/83/78/569158378.db2.gz XYXQXLMRTBOISC-UHFFFAOYSA-N 0 0 435.528 3.902 50 0 IHAARN Cc1ccc(C)c(OC[C@H](O)Cn2c(CC(=O)NCc3ccccc3)nc3ccccc32)c1 ZINC000014290512 569158542 /nfs/dbraw/zinc/15/85/42/569158542.db2.gz XZNFQWPRZTZILU-JOCHJYFZSA-N 0 0 443.547 3.952 50 0 IHAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000014372542 569158787 /nfs/dbraw/zinc/15/87/87/569158787.db2.gz VYBAEXABGGQHBB-UHFFFAOYSA-N 0 0 430.436 3.509 50 0 IHAARN CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014368364 569158798 /nfs/dbraw/zinc/15/87/98/569158798.db2.gz XNPPLUSZUPAKOZ-LJQANCHMSA-N 0 0 449.598 3.519 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000014404780 569158972 /nfs/dbraw/zinc/15/89/72/569158972.db2.gz AXGABAZLMSIZQD-HSZRJFAPSA-N 0 0 437.471 3.589 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1 ZINC000089690597 569161337 /nfs/dbraw/zinc/16/13/37/569161337.db2.gz XWTFIURRHFLEBM-JOCHJYFZSA-N 0 0 430.570 3.857 50 0 IHAARN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000089764859 569162426 /nfs/dbraw/zinc/16/24/26/569162426.db2.gz XCIWKHAJFXTHFM-LJQANCHMSA-N 0 0 440.544 3.858 50 0 IHAARN COc1ccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000016840336 569163142 /nfs/dbraw/zinc/16/31/42/569163142.db2.gz RDOFFKSUYNFKOW-UHFFFAOYSA-N 0 0 444.491 3.507 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000016840329 569163143 /nfs/dbraw/zinc/16/31/43/569163143.db2.gz IQCULKCARFIDRX-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(Cl)c1 ZINC000016843639 569163729 /nfs/dbraw/zinc/16/37/29/569163729.db2.gz CBXIUTUGCKZFOM-UHFFFAOYSA-N 0 0 431.949 3.916 50 0 IHAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccccc4Cl)c3=O)n2)cc1 ZINC000016843509 569163737 /nfs/dbraw/zinc/16/37/37/569163737.db2.gz QXSPEQZCFUERBJ-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(c2ccc(S(=O)(=O)c3ccccc3)nn2)CC1 ZINC000016847059 569163952 /nfs/dbraw/zinc/16/39/52/569163952.db2.gz LVXXVIIVRHWJQD-UHFFFAOYSA-N 0 0 428.945 3.598 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000016850430 569164623 /nfs/dbraw/zinc/16/46/23/569164623.db2.gz DPFCCVOVVWZCPV-MRXNPFEDSA-N 0 0 443.594 3.970 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000089813177 569165146 /nfs/dbraw/zinc/16/51/46/569165146.db2.gz YCUDBASFMNYUET-JOCHJYFZSA-N 0 0 446.544 3.554 50 0 IHAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCCN1CCCC1=O ZINC000089851071 569166158 /nfs/dbraw/zinc/16/61/58/569166158.db2.gz AUWUMLPMXQNYQC-UHFFFAOYSA-N 0 0 434.565 3.965 50 0 IHAARN CC(C)c1n[nH]c(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1Br ZINC000089891119 569166671 /nfs/dbraw/zinc/16/66/71/569166671.db2.gz FLQDPEDAYGYJDZ-UHFFFAOYSA-N 0 0 425.371 3.597 50 0 IHAARN COc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000016944593 569166898 /nfs/dbraw/zinc/16/68/98/569166898.db2.gz MGQRHHXMWXCAMT-HNNXBMFYSA-N 0 0 441.427 3.680 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)c1 ZINC000016944431 569166945 /nfs/dbraw/zinc/16/69/45/569166945.db2.gz SZJXRLPUCQSRHA-UHFFFAOYSA-N 0 0 429.885 3.921 50 0 IHAARN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2noc(Cc3ccccc3F)n2)CC1 ZINC000089905804 569167234 /nfs/dbraw/zinc/16/72/34/569167234.db2.gz HOQSKHSECHMKJP-OAHLLOKOSA-N 0 0 428.895 3.972 50 0 IHAARN COc1ccccc1[C@@]1(C)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000089917096 569167458 /nfs/dbraw/zinc/16/74/58/569167458.db2.gz RJURBURTPQJKOH-RUZDIDTESA-N 0 0 429.476 3.915 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)c1 ZINC000016960327 569168123 /nfs/dbraw/zinc/16/81/23/569168123.db2.gz ZAJPGXYMUMSSCW-UHFFFAOYSA-N 0 0 433.537 3.781 50 0 IHAARN CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000089941928 569168331 /nfs/dbraw/zinc/16/83/31/569168331.db2.gz XCXLOXGFNSGXGW-UNMCSNQZSA-N 0 0 438.601 3.832 50 0 IHAARN Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)ccc1F ZINC000017011179 569170340 /nfs/dbraw/zinc/17/03/40/569170340.db2.gz DUOPOKZKAUOMLF-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cccc(OC)c4)CC3)n2)cc1 ZINC000017012504 569170585 /nfs/dbraw/zinc/17/05/85/569170585.db2.gz QYZABGCXYXDJDA-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)c1OC ZINC000017042626 569171611 /nfs/dbraw/zinc/17/16/11/569171611.db2.gz KZFMAZSYOUREDX-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN Cc1ccc(-c2ccc(OCCNC(=O)Cc3ccc(Br)cc3)nn2)cc1 ZINC000017051702 569171846 /nfs/dbraw/zinc/17/18/46/569171846.db2.gz JDSHHFDGTJRVSG-UHFFFAOYSA-N 0 0 426.314 3.952 50 0 IHAARN COCc1nc2sc(C(=O)N3CCC(c4ccc(O)cc4)CC3)c(C)c2c(OC)n1 ZINC000170632765 569172133 /nfs/dbraw/zinc/17/21/33/569172133.db2.gz RTEPUDPVGLCSIE-UHFFFAOYSA-N 0 0 427.526 3.880 50 0 IHAARN O=C(Cc1ccccc1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037356638 569172281 /nfs/dbraw/zinc/17/22/81/569172281.db2.gz OJFYBTYWVGHYHW-UHFFFAOYSA-N 0 0 426.879 3.953 50 0 IHAARN O=C(Cc1ccccc1)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CC1 ZINC000037356864 569173042 /nfs/dbraw/zinc/17/30/42/569173042.db2.gz OQEBCFJDSXCBRE-UHFFFAOYSA-N 0 0 426.879 3.953 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1Cl ZINC000017120554 569174282 /nfs/dbraw/zinc/17/42/82/569174282.db2.gz VMRQPDRGNWIOPP-UHFFFAOYSA-N 0 0 445.957 3.779 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)c(C)c3)n2n1 ZINC000017136130 569174492 /nfs/dbraw/zinc/17/44/92/569174492.db2.gz GWRFQSSVXFBDTH-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1C ZINC000017135619 569174493 /nfs/dbraw/zinc/17/44/93/569174493.db2.gz CYKPRXSSWGWSLH-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN COc1ccccc1-c1nc(NC[C@H]2CCCO2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037358088 569175833 /nfs/dbraw/zinc/17/58/33/569175833.db2.gz FIJZYLGYGYITER-QGZVFWFLSA-N 0 0 430.512 3.723 50 0 IHAARN CCOc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 ZINC000017218392 569176205 /nfs/dbraw/zinc/17/62/05/569176205.db2.gz ZCSUTGSFJIXWEC-OAHLLOKOSA-N 0 0 442.541 3.609 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1)c1ccccc1 ZINC000003105095 569177659 /nfs/dbraw/zinc/17/76/59/569177659.db2.gz WZOLLYHOWOEBTH-OAHLLOKOSA-N 0 0 448.928 3.668 50 0 IHAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCOC(C)C)CC(=O)N23)c1 ZINC000002098071 569179420 /nfs/dbraw/zinc/17/94/20/569179420.db2.gz DBXZDYKMJUYJPN-JYFHCDHNSA-N 0 0 445.563 3.976 50 0 biogenic IHAARN CC[C@@H](C)N1CC(=O)N2[C@H](c3cccc(OC)c3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002100644 569179727 /nfs/dbraw/zinc/17/97/27/569179727.db2.gz KOFQMJHFDMHQST-ZNSVGSLASA-N 0 0 447.535 3.669 50 0 biogenic IHAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000002104096 569180245 /nfs/dbraw/zinc/18/02/45/569180245.db2.gz IPZLNMQUSXRPEM-RZPHLTDDSA-N 0 0 441.524 3.927 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)cc1OC ZINC000002107416 569181354 /nfs/dbraw/zinc/18/13/54/569181354.db2.gz GELZNRNXZQLXCV-CPJSRVTESA-N 0 0 447.535 3.526 50 0 biogenic IHAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002114802 569182311 /nfs/dbraw/zinc/18/23/11/569182311.db2.gz VPZXPDKHYMWCMQ-UHFFFAOYSA-N 0 0 428.441 3.631 50 0 biogenic IHAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@@H]1CCCO1)nc2-c1cccc(F)c1F ZINC000037376093 569185598 /nfs/dbraw/zinc/18/55/98/569185598.db2.gz AKWAULWYDGCWRW-HNNXBMFYSA-N 0 0 436.466 3.993 50 0 IHAARN COc1ccc([C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(C)C)cc1OC ZINC000252480696 569186354 /nfs/dbraw/zinc/18/63/54/569186354.db2.gz CDLHOXWTIHKOIK-GCJKJVERSA-N 0 0 439.512 3.627 50 0 IHAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002154336 569187412 /nfs/dbraw/zinc/18/74/12/569187412.db2.gz TWOWLNZKJAGDBM-SOJACNMYSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN CCc1ccc(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000252499609 569188093 /nfs/dbraw/zinc/18/80/93/569188093.db2.gz SCSFYNABGWSQNG-RPWUZVMVSA-N 0 0 427.614 3.661 50 0 IHAARN CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000252506009 569188225 /nfs/dbraw/zinc/18/82/25/569188225.db2.gz VWDALGQZTNHXNE-JYJNAYRXSA-N 0 0 425.342 3.989 50 0 IHAARN Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002196002 569191419 /nfs/dbraw/zinc/19/14/19/569191419.db2.gz USVRUZJTZAUWCM-AWEZNQCLSA-N 0 0 442.928 3.832 50 0 IHAARN COCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000037399064 569194306 /nfs/dbraw/zinc/19/43/06/569194306.db2.gz DGMNPUSSIFLATL-UHFFFAOYSA-N 0 0 444.579 3.955 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C(=O)C(C)C)C(C)C)ccc2OC)cc1 ZINC000037399947 569194810 /nfs/dbraw/zinc/19/48/10/569194810.db2.gz XCBHDQHHLLCKCN-UHFFFAOYSA-N 0 0 435.542 3.865 50 0 IHAARN CC[C@H](C(=O)N[C@@H](C)CC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403451 569194951 /nfs/dbraw/zinc/19/49/51/569194951.db2.gz CXUUBRSXRMMDEX-HNAYVOBHSA-N 0 0 427.932 3.980 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccc(F)cc2)C(=O)C2CCC2)ccc1OC ZINC000037401427 569195126 /nfs/dbraw/zinc/19/51/26/569195126.db2.gz JNAXWDHEHBBHLA-UHFFFAOYSA-N 0 0 435.517 3.892 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@H](C)C(=O)NCc2ccco2)c1 ZINC000037427659 569195850 /nfs/dbraw/zinc/19/58/50/569195850.db2.gz JUAAOEOHHPZPFC-OIKHPULZSA-N 0 0 435.505 3.923 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)N3CCCC3)o2)c1 ZINC000037428327 569196056 /nfs/dbraw/zinc/19/60/56/569196056.db2.gz DWOLVCZUZFSGMB-VHXPQNKSSA-N 0 0 439.537 3.793 50 0 IHAARN Cc1cs/c(=N\C(=O)c2cccc(C)c2)n1Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000037435410 569196165 /nfs/dbraw/zinc/19/61/65/569196165.db2.gz XKGJEWXGRVCICF-YMVPSHTBSA-N 0 0 449.576 3.865 50 0 IHAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(F)c3)C(=O)NC(C)C)C2)cc1OC ZINC000037442319 569197026 /nfs/dbraw/zinc/19/70/26/569197026.db2.gz VYZDKQPAVSPQHH-IBGZPJMESA-N 0 0 429.492 3.956 50 0 IHAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)NC(C)C)C2)cc1OC ZINC000037442321 569197051 /nfs/dbraw/zinc/19/70/51/569197051.db2.gz VYZDKQPAVSPQHH-LJQANCHMSA-N 0 0 429.492 3.956 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252617462 569197797 /nfs/dbraw/zinc/19/77/97/569197797.db2.gz KTENBXQFCAFJKA-VMGBFRSASA-N 0 0 442.540 3.738 50 0 IHAARN C[C@@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)COc1ccc(Cl)cc1 ZINC000037522135 569198309 /nfs/dbraw/zinc/19/83/09/569198309.db2.gz HECRZRJJNQUNDA-CYBMUJFWSA-N 0 0 437.721 3.745 50 0 IHAARN CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000037523735 569198673 /nfs/dbraw/zinc/19/86/73/569198673.db2.gz ZTYNZZAXOYLEQL-UHFFFAOYSA-N 0 0 444.373 3.988 50 0 IHAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC000037524837 569198694 /nfs/dbraw/zinc/19/86/94/569198694.db2.gz VYBKDDVMFFABPX-UHFFFAOYSA-N 0 0 433.508 3.617 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccco3)CC2)cc1 ZINC000037524564 569198869 /nfs/dbraw/zinc/19/88/69/569198869.db2.gz OJDGLDHFAABHDI-UHFFFAOYSA-N 0 0 447.535 3.660 50 0 IHAARN O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1 ZINC000037524529 569198875 /nfs/dbraw/zinc/19/88/75/569198875.db2.gz GQUBSAVQCIQIRY-UHFFFAOYSA-N 0 0 442.563 3.729 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NN1CCOCC1 ZINC000037547361 569200063 /nfs/dbraw/zinc/20/00/63/569200063.db2.gz OWBMMVXQPFNXKJ-UHFFFAOYSA-N 0 0 438.503 3.717 50 0 IHAARN Cc1ccc(C(=O)N2CCCN(c3nc4ccccc4c4nnc(C5CC5)n43)CC2)cc1 ZINC000037554789 569200500 /nfs/dbraw/zinc/20/05/00/569200500.db2.gz QUEBEATVLVESHG-UHFFFAOYSA-N 0 0 426.524 3.816 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)C1 ZINC000037600620 569202383 /nfs/dbraw/zinc/20/23/83/569202383.db2.gz YEDHIWDLNDXSAT-HSZRJFAPSA-N 0 0 448.563 3.974 50 0 IHAARN CC1(C)SC(=S)N(CCc2ccccc2F)[C@@H]1n1oc(=O)n(-c2ccccc2)c1=O ZINC000002217259 569203923 /nfs/dbraw/zinc/20/39/23/569203923.db2.gz HDYQZPBUXYWXSR-QGZVFWFLSA-N 0 0 445.541 3.585 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl ZINC000002220246 569204415 /nfs/dbraw/zinc/20/44/15/569204415.db2.gz AGKYHDFDVLREGQ-UHFFFAOYSA-N 0 0 430.267 3.975 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc2c1OCO2 ZINC000066089790 569205769 /nfs/dbraw/zinc/20/57/69/569205769.db2.gz UBIFNTSFWNUHPJ-CQSZACIVSA-N 0 0 428.441 3.524 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000252635078 569207953 /nfs/dbraw/zinc/20/79/53/569207953.db2.gz WUOXUMCZTWXYRA-LMCJVXRNSA-N 0 0 444.556 3.772 50 0 IHAARN CN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccccc1 ZINC000002238949 569212878 /nfs/dbraw/zinc/21/28/78/569212878.db2.gz GGJHFTOTMWVTIK-MHZLTWQESA-N 0 0 436.467 3.712 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)NCC1N=NC(=S)N1c1ccc(F)cc1 ZINC000027528259 569263619 /nfs/dbraw/zinc/26/36/19/569263619.db2.gz ALRGVCVERRMYIU-UHFFFAOYSA-N 0 0 427.288 3.697 50 0 IHAARN C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000253388768 569264284 /nfs/dbraw/zinc/26/42/84/569264284.db2.gz SHZIIRHXBSCNRY-SHOLWTPKSA-N 0 0 442.464 3.604 50 0 biogenic IHAARN Cc1ccn2cc(C(=O)O[C@H]3CCCC[C@@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1 ZINC000253428972 569267622 /nfs/dbraw/zinc/26/76/22/569267622.db2.gz BOWUWKZKWHRDTR-PMACEKPBSA-N 0 0 432.480 3.924 50 0 IHAARN CCOC(=O)[C@@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1C2CC3CC(C2)CC1C3 ZINC000253429201 569267663 /nfs/dbraw/zinc/26/76/63/569267663.db2.gz QUSQJAIHCDJUOM-OBOATNSCSA-N 0 0 446.632 3.639 50 0 IHAARN COCCNC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002301784 569271393 /nfs/dbraw/zinc/27/13/93/569271393.db2.gz RZODMPHKMWQQHB-VXGBXAGGSA-N 0 0 447.255 3.682 50 0 IHAARN COCCNC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002301786 569271583 /nfs/dbraw/zinc/27/15/83/569271583.db2.gz RZODMPHKMWQQHB-NEPJUHHUSA-N 0 0 447.255 3.682 50 0 IHAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002329003 569274472 /nfs/dbraw/zinc/27/44/72/569274472.db2.gz ZGHJNPVJWXZCOR-SFHVURJKSA-N 0 0 429.524 3.708 50 0 IHAARN CCOc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)ccc1O ZINC000002351260 569282852 /nfs/dbraw/zinc/28/28/52/569282852.db2.gz JQDYHUFDJFGBLK-FQEVSTJZSA-N 0 0 443.883 3.787 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O ZINC000252506584 569288013 /nfs/dbraw/zinc/28/80/13/569288013.db2.gz WBEIBLAEUZKUHK-AVRDEDQJSA-N 0 0 449.551 3.941 50 0 IHAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1Cl ZINC000002366978 569288427 /nfs/dbraw/zinc/28/84/27/569288427.db2.gz AKDVVACRFHZIAJ-UHFFFAOYSA-N 0 0 438.738 3.806 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1OC ZINC000008752756 569290352 /nfs/dbraw/zinc/29/03/52/569290352.db2.gz NOKXBYRANGGOPT-UHFFFAOYSA-N 0 0 438.343 3.944 50 0 IHAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC ZINC000002380792 569291796 /nfs/dbraw/zinc/29/17/96/569291796.db2.gz FFMFCBBDDOGTPD-AREMUKBSSA-N 0 0 446.503 3.676 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000009216602 569294348 /nfs/dbraw/zinc/29/43/48/569294348.db2.gz BPUJZCVPIZAWCK-PKNBQFBNSA-N 0 0 427.353 3.898 50 0 IHAARN COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000027756256 569296791 /nfs/dbraw/zinc/29/67/91/569296791.db2.gz FYNKEMAWKYLHKA-CYBMUJFWSA-N 0 0 446.327 3.971 50 0 IHAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)c1ccccc1OC ZINC000002407275 569300339 /nfs/dbraw/zinc/30/03/39/569300339.db2.gz IQZUPWKMXFLLHP-UHFFFAOYSA-N 0 0 429.476 3.548 50 0 IHAARN Cn1c2cn(-c3ccc4c(c3)OCCO4)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002411613 569300944 /nfs/dbraw/zinc/30/09/44/569300944.db2.gz FVCQFSCGZIBRQE-UHFFFAOYSA-N 0 0 445.519 3.764 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1OC ZINC000002418476 569301723 /nfs/dbraw/zinc/30/17/23/569301723.db2.gz KGOLAQRDFCVESM-HNNXBMFYSA-N 0 0 448.479 3.509 50 0 IHAARN COc1cc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc(OC)c1OC ZINC000002421951 569302101 /nfs/dbraw/zinc/30/21/01/569302101.db2.gz MLBGYKIEPPSZLH-SFHVURJKSA-N 0 0 445.519 3.978 50 0 biogenic IHAARN CCCc1nc2sc3c(nc(SC)nc3N(C[C@H](C)O)C[C@H](C)O)c2c2c1CCC2 ZINC000002427480 569302647 /nfs/dbraw/zinc/30/26/47/569302647.db2.gz OHPDWQQYQUBNCS-STQMWFEESA-N 0 0 446.642 3.971 50 0 IHAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)c1 ZINC000002438001 569303930 /nfs/dbraw/zinc/30/39/30/569303930.db2.gz LQACTOZZXHVFAS-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN O=C(COc1ccc(-c2nccc(-c3ccccn3)n2)cc1)NCc1ccc2c(c1)OCO2 ZINC000012961578 569305387 /nfs/dbraw/zinc/30/53/87/569305387.db2.gz IIYLCPRXAPFVQJ-UHFFFAOYSA-N 0 0 440.459 3.630 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 ZINC000012983250 569305780 /nfs/dbraw/zinc/30/57/80/569305780.db2.gz SBLLWHCUPHKUNN-IBGZPJMESA-N 0 0 442.581 3.696 50 0 IHAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000013005057 569306250 /nfs/dbraw/zinc/30/62/50/569306250.db2.gz GVKBMOOCJUGAFG-XNTDXEJSSA-N 0 0 443.503 3.853 50 0 IHAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)nn2)n1 ZINC000013010167 569306760 /nfs/dbraw/zinc/30/67/60/569306760.db2.gz OBNVBEUZWNBDLS-UHFFFAOYSA-N 0 0 438.488 3.963 50 0 IHAARN CCn1c2ccccc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013037163 569307612 /nfs/dbraw/zinc/30/76/12/569307612.db2.gz XNURJGJLZAEIHH-GHVJWSGMSA-N 0 0 443.594 3.559 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4n(C)c3=S)CC2)cc1 ZINC000013071667 569308982 /nfs/dbraw/zinc/30/89/82/569308982.db2.gz UIMVLFAGIAMZQW-UHFFFAOYSA-N 0 0 444.626 3.797 50 0 IHAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)NCC(C)C)cc1 ZINC000013072993 569309067 /nfs/dbraw/zinc/30/90/67/569309067.db2.gz ACGLIRUWBKNSCT-UHFFFAOYSA-N 0 0 426.542 3.998 50 0 IHAARN CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 ZINC000013095668 569309434 /nfs/dbraw/zinc/30/94/34/569309434.db2.gz BBMGEQYSHQTCRE-CYBMUJFWSA-N 0 0 433.484 3.794 50 0 IHAARN Cc1c(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000013126091 569311111 /nfs/dbraw/zinc/31/11/11/569311111.db2.gz YTJCKFPDHXSEDM-UHFFFAOYSA-N 0 0 445.548 3.981 50 0 IHAARN COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013164964 569312496 /nfs/dbraw/zinc/31/24/96/569312496.db2.gz CKDLHFROIRVICL-PEBXRYMYSA-N 0 0 429.904 3.619 50 0 IHAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013354355 569313439 /nfs/dbraw/zinc/31/34/39/569313439.db2.gz IYHNXBMRZBLMLF-UHFFFAOYSA-N 0 0 447.607 3.589 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)cc(=O)n2o1 ZINC000013368493 569314616 /nfs/dbraw/zinc/31/46/16/569314616.db2.gz VABXAOWBIGCUDO-UHFFFAOYSA-N 0 0 439.855 3.846 50 0 IHAARN Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000013370275 569314932 /nfs/dbraw/zinc/31/49/32/569314932.db2.gz PTPZNCPRSQECGD-UHFFFAOYSA-N 0 0 446.598 3.827 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(OCc2ccccn2)c1 ZINC000328595282 569317715 /nfs/dbraw/zinc/31/77/15/569317715.db2.gz QAERSCDIXDRLHH-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 ZINC000078814442 569319281 /nfs/dbraw/zinc/31/92/81/569319281.db2.gz GBLOGLAVEUQFBT-YADHBBJMSA-N 0 0 435.524 3.912 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078874716 569319542 /nfs/dbraw/zinc/31/95/42/569319542.db2.gz LYOVPLPVRIMWLW-IRXDYDNUSA-N 0 0 442.503 3.531 50 0 IHAARN O=C(CCCOc1ccccc1Br)NCCCN1C(=O)COc2ccccc21 ZINC000078874700 569319592 /nfs/dbraw/zinc/31/95/92/569319592.db2.gz VJFZFOOKFDYOFO-UHFFFAOYSA-N 0 0 447.329 3.540 50 0 IHAARN CC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1 ZINC000078879428 569319997 /nfs/dbraw/zinc/31/99/97/569319997.db2.gz HVPXXWMOSICAQV-UHFFFAOYSA-N 0 0 429.561 3.970 50 0 IHAARN Cc1nnc(-c2cccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)c2)o1 ZINC000078903091 569320240 /nfs/dbraw/zinc/32/02/40/569320240.db2.gz MHFDGSYAISCWMZ-UHFFFAOYSA-N 0 0 436.487 3.661 50 0 IHAARN Cc1nnc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)cc2)o1 ZINC000078903059 569320253 /nfs/dbraw/zinc/32/02/53/569320253.db2.gz WCXLYEOJUFIAMK-UHFFFAOYSA-N 0 0 436.487 3.661 50 0 IHAARN CCO[C@@H](C)c1noc(CN2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000078947700 569320432 /nfs/dbraw/zinc/32/04/32/569320432.db2.gz UYEFGCKKYDMWAE-INIZCTEOSA-N 0 0 429.496 3.669 50 0 IHAARN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000078988810 569321416 /nfs/dbraw/zinc/32/14/16/569321416.db2.gz HRMFKHOGRJSIJK-ZIAGYGMSSA-N 0 0 429.991 3.775 50 0 IHAARN O=C(NCCCOc1cccc2cccnc21)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000079050972 569323380 /nfs/dbraw/zinc/32/33/80/569323380.db2.gz SBODBKKZMNYXRF-UHFFFAOYSA-N 0 0 434.464 3.571 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000079052258 569323576 /nfs/dbraw/zinc/32/35/76/569323576.db2.gz DQYVXOKSPWVSBM-IIBYNOLFSA-N 0 0 444.578 3.939 50 0 IHAARN Cc1cc(NC(=O)CSCC(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)no1 ZINC000079094125 569325252 /nfs/dbraw/zinc/32/52/52/569325252.db2.gz ZQFOGIPMWYWTKS-KRWDZBQOSA-N 0 0 433.574 3.881 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)c1 ZINC000019809947 569329741 /nfs/dbraw/zinc/32/97/41/569329741.db2.gz FDJBUBPELSSZGM-UHFFFAOYSA-N 0 0 443.839 3.850 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)Cn2cc(OCc3ccccc3Cl)c(=O)cc2C)cc1 ZINC000079482481 569330982 /nfs/dbraw/zinc/33/09/82/569330982.db2.gz DLUFVSVOLUAZJP-UHFFFAOYSA-N 0 0 439.899 3.986 50 0 IHAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000079489400 569331299 /nfs/dbraw/zinc/33/12/99/569331299.db2.gz GSEAUGWXPCHLEM-UHFFFAOYSA-N 0 0 446.960 3.509 50 0 IHAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1O ZINC000020036344 569332753 /nfs/dbraw/zinc/33/27/53/569332753.db2.gz CXPAOCJMKSPDNY-VIZOYTHASA-N 0 0 435.249 3.785 50 0 IHAARN COc1cc(Br)ccc1[C@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000020134443 569335720 /nfs/dbraw/zinc/33/57/20/569335720.db2.gz IDLFQHYFIKMCQZ-KRWDZBQOSA-N 0 0 448.321 3.609 50 0 IHAARN O=C(c1cccc(Br)c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390826058 569353770 /nfs/dbraw/zinc/35/37/70/569353770.db2.gz ANQYVGXDAPDQHG-KRWDZBQOSA-N 0 0 426.307 3.590 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)NCCn1cc(-c2nc(-c3cccs3)no2)nn1 ZINC000390827858 569353963 /nfs/dbraw/zinc/35/39/63/569353963.db2.gz LFYUWVCPSHEAHQ-UHFFFAOYSA-N 0 0 447.524 3.677 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214375 569356478 /nfs/dbraw/zinc/35/64/78/569356478.db2.gz ZFUSXPQTQQFCOE-HSZRJFAPSA-N 0 0 435.524 3.708 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccccc3Cl)c(C)o2)cc1 ZINC000020241446 569357873 /nfs/dbraw/zinc/35/78/73/569357873.db2.gz LFQBICHGFCRCEU-GDLZYMKVSA-N 0 0 432.929 3.877 50 0 IHAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1 ZINC000020241660 569358010 /nfs/dbraw/zinc/35/80/10/569358010.db2.gz CHWPHUCKTUEYRJ-GDLZYMKVSA-N 0 0 432.929 3.877 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCCc1ccccc1 ZINC000020241798 569358061 /nfs/dbraw/zinc/35/80/61/569358061.db2.gz FCCWVFOFFXZAKS-UHFFFAOYSA-N 0 0 426.538 3.622 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCC3=CCCCC3)c(C)o2)cc1OC ZINC000020241725 569358074 /nfs/dbraw/zinc/35/80/74/569358074.db2.gz FXPHWOIMOLCWJP-WJOKGBTCSA-N 0 0 446.569 3.923 50 0 IHAARN COc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC000020326451 569360544 /nfs/dbraw/zinc/36/05/44/569360544.db2.gz HJYJLFAPUNJHNQ-LJQANCHMSA-N 0 0 433.555 3.555 50 0 IHAARN CC1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000095350892 569361944 /nfs/dbraw/zinc/36/19/44/569361944.db2.gz AFXIMEREWATREI-GOSISDBHSA-N 0 0 436.599 3.661 50 0 IHAARN Cc1ncsc1-c1nc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000095414810 569365313 /nfs/dbraw/zinc/36/53/13/569365313.db2.gz JZHMEMFCTHJIOY-UHFFFAOYSA-N 0 0 433.559 3.678 50 0 IHAARN CC(C)c1nccc(C2CCN(C(=O)[C@@H](C)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 ZINC000095431195 569366332 /nfs/dbraw/zinc/36/63/32/569366332.db2.gz DGUZIBWMPALZAB-LJQANCHMSA-N 0 0 439.579 3.656 50 0 IHAARN CCCCOc1cccc(CNC(=O)Cc2c(C)nn(-c3cncc(Cl)n3)c2C)c1 ZINC000095432559 569366499 /nfs/dbraw/zinc/36/64/99/569366499.db2.gz FFYBWQBFSUGSNN-UHFFFAOYSA-N 0 0 427.936 3.970 50 0 IHAARN CSc1ccc(C(=O)NCCN(Cc2ccccn2)C(=O)c2ccc(SC)o2)o1 ZINC000095451263 569367795 /nfs/dbraw/zinc/36/77/95/569367795.db2.gz CFFVGMYFFCRVFH-UHFFFAOYSA-N 0 0 431.539 3.784 50 0 IHAARN CSc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccn1 ZINC000095452247 569367884 /nfs/dbraw/zinc/36/78/84/569367884.db2.gz SPZJLKGCYJXBHB-UHFFFAOYSA-N 0 0 445.610 3.722 50 0 IHAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(F)cc2OC)CC1 ZINC000095456132 569368728 /nfs/dbraw/zinc/36/87/28/569368728.db2.gz KRQFPJJXZLPKSJ-LJQANCHMSA-N 0 0 435.883 3.552 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@H]3c3ncc[nH]3)cc2)c1 ZINC000095458560 569369215 /nfs/dbraw/zinc/36/92/15/569369215.db2.gz IFQDYAAKALJUCI-IBGZPJMESA-N 0 0 425.510 3.772 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000095458807 569369245 /nfs/dbraw/zinc/36/92/45/569369245.db2.gz ADUCRQZXZABFMQ-UHFFFAOYSA-N 0 0 442.459 3.680 50 0 IHAARN O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000095461345 569369843 /nfs/dbraw/zinc/36/98/43/569369843.db2.gz MSRRCEIDXCTAAR-OAQYLSRUSA-N 0 0 447.445 3.584 50 0 IHAARN O=C(Nc1ccc2ncc(Cl)n2c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000095464831 569370537 /nfs/dbraw/zinc/37/05/37/569370537.db2.gz NVTLRFOAAFDGCJ-HNNXBMFYSA-N 0 0 447.720 3.994 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cncc(F)c1 ZINC000095465095 569370642 /nfs/dbraw/zinc/37/06/42/569370642.db2.gz YGCHCVWKWZXDQK-CQSZACIVSA-N 0 0 439.940 3.930 50 0 IHAARN CCCOc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC000095469752 569371721 /nfs/dbraw/zinc/37/17/21/569371721.db2.gz QXHLUUWIOJELRN-UHFFFAOYSA-N 0 0 440.540 3.674 50 0 IHAARN O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000095473809 569372502 /nfs/dbraw/zinc/37/25/02/569372502.db2.gz LSRKRPFUWKMAEK-KRWDZBQOSA-N 0 0 449.385 3.809 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc2)cc1 ZINC000095477095 569373254 /nfs/dbraw/zinc/37/32/54/569373254.db2.gz USGPDSHPHQLGNB-UHFFFAOYSA-N 0 0 435.505 3.907 50 0 IHAARN COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095477590 569373353 /nfs/dbraw/zinc/37/33/53/569373353.db2.gz ZDDOGVDAIZLSBN-ZDUSSCGKSA-N 0 0 434.901 3.720 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3I)n2)cc1 ZINC000095482578 569374424 /nfs/dbraw/zinc/37/44/24/569374424.db2.gz INELEVKGKMJTMB-UHFFFAOYSA-N 0 0 449.248 3.622 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2ccc(C)cc2)S1 ZINC000020896205 569375086 /nfs/dbraw/zinc/37/50/86/569375086.db2.gz SGBBDGJPMDWQDU-NRFANRHFSA-N 0 0 427.526 3.844 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2ccc(C)cc2C)S1 ZINC000020896165 569375135 /nfs/dbraw/zinc/37/51/35/569375135.db2.gz FTYLXAINBRTGQC-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2ccccc2Cl)S1 ZINC000020896177 569375143 /nfs/dbraw/zinc/37/51/43/569375143.db2.gz GMALZIDNVMKPKB-IBGZPJMESA-N 0 0 433.917 3.799 50 0 IHAARN Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCc4coc(-c5cccs5)n4)c3)cc21 ZINC000095945780 569375896 /nfs/dbraw/zinc/37/58/96/569375896.db2.gz UTILNDGEHVPAKT-UHFFFAOYSA-N 0 0 431.477 3.575 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000095947105 569376267 /nfs/dbraw/zinc/37/62/67/569376267.db2.gz NZWQPAWKMUACDJ-GGAORHGYSA-N 0 0 435.524 3.703 50 0 IHAARN CN(Cc1nc(-c2ccco2)no1)[C@@H]1CCCC[C@@H]1N(C)Cc1nc(-c2ccco2)no1 ZINC000095995926 569378821 /nfs/dbraw/zinc/37/88/21/569378821.db2.gz UKXAOQPVDFDUKY-IYBDPMFKSA-N 0 0 438.488 3.848 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000095997634 569379046 /nfs/dbraw/zinc/37/90/46/569379046.db2.gz SSSUOPGVSHLCBU-CABCVRRESA-N 0 0 432.933 3.927 50 0 IHAARN Cc1cc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000096006685 569379466 /nfs/dbraw/zinc/37/94/66/569379466.db2.gz RHPGQTWHJLMSCF-LBPRGKRZSA-N 0 0 439.324 3.658 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)s1 ZINC000096024351 569380539 /nfs/dbraw/zinc/38/05/39/569380539.db2.gz YMGFANQVMVSDFR-UHFFFAOYSA-N 0 0 439.609 3.828 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024849 569380613 /nfs/dbraw/zinc/38/06/13/569380613.db2.gz FOOCRPSCPZRLDZ-UHFFFAOYSA-N 0 0 431.739 3.730 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@@H](C)C(=O)NCc2ccccn2)c1 ZINC000096096067 569381043 /nfs/dbraw/zinc/38/10/43/569381043.db2.gz MKEVXKJWAMRPLK-IYEWYVLISA-N 0 0 446.532 3.725 50 0 IHAARN CC(C)Sc1ccc(CC(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 ZINC000096096647 569381230 /nfs/dbraw/zinc/38/12/30/569381230.db2.gz DXXRHVYVCVLMIS-UHFFFAOYSA-N 0 0 442.610 3.968 50 0 IHAARN O=C(c1cccc(Br)c1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103489 569382024 /nfs/dbraw/zinc/38/20/24/569382024.db2.gz YDVZYODPOQGKRS-MRXNPFEDSA-N 0 0 428.735 3.791 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)c1 ZINC000096105554 569382418 /nfs/dbraw/zinc/38/24/18/569382418.db2.gz DWLRBWBHLZDGOL-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN CC(C)n1cc(CC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 ZINC000096116496 569383874 /nfs/dbraw/zinc/38/38/74/569383874.db2.gz VNQNPIJVFADVOQ-QFIPXVFZSA-N 0 0 430.508 3.960 50 0 biogenic IHAARN COc1cccc2cc(C(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)c(=O)oc21 ZINC000096119085 569384710 /nfs/dbraw/zinc/38/47/10/569384710.db2.gz OWZWVWSRAVVNAR-CQSZACIVSA-N 0 0 437.477 3.933 50 0 IHAARN O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(F)c(Cl)c1 ZINC000096121573 569385014 /nfs/dbraw/zinc/38/50/14/569385014.db2.gz CVOUKFLMYCKFBU-UHFFFAOYSA-N 0 0 425.835 3.552 50 0 IHAARN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124096 569385374 /nfs/dbraw/zinc/38/53/74/569385374.db2.gz GFQPPCVHJNZKGK-LJQANCHMSA-N 0 0 425.496 3.579 50 0 IHAARN CCOc1cc(C=CC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)ccc1OC(F)F ZINC000096133942 569385872 /nfs/dbraw/zinc/38/58/72/569385872.db2.gz BGDDXBKQYRLNCV-LUAWRHEFSA-N 0 0 430.411 3.554 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000096211199 569386654 /nfs/dbraw/zinc/38/66/54/569386654.db2.gz DUCOYTMBCBQSRC-DNQXCXABSA-N 0 0 446.613 3.934 50 0 IHAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000096223528 569387311 /nfs/dbraw/zinc/38/73/11/569387311.db2.gz OAXUOIMKQBWYFI-DEOSSOPVSA-N 0 0 441.531 3.836 50 0 IHAARN COC(=O)c1coc(COc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)n1 ZINC000096281007 569389794 /nfs/dbraw/zinc/38/97/94/569389794.db2.gz ORXLCIMZCDMETG-UHFFFAOYSA-N 0 0 437.408 3.774 50 0 IHAARN FC(F)(F)c1cnc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c(Cl)c1 ZINC000096316704 569392710 /nfs/dbraw/zinc/39/27/10/569392710.db2.gz IWCWPBZHCVDYAE-UHFFFAOYSA-N 0 0 446.930 3.987 50 0 IHAARN CC[C@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096317305 569393302 /nfs/dbraw/zinc/39/33/02/569393302.db2.gz FTXUKFQTFKTQSI-SFHVURJKSA-N 0 0 430.618 3.669 50 0 IHAARN COCC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000096317597 569393546 /nfs/dbraw/zinc/39/35/46/569393546.db2.gz DQWQWCYXTMSLPF-UHFFFAOYSA-N 0 0 449.382 3.855 50 0 IHAARN COc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)n1 ZINC000096322278 569394475 /nfs/dbraw/zinc/39/44/75/569394475.db2.gz YWIYRQVWNSIRES-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN CCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)cc1 ZINC000096322265 569394521 /nfs/dbraw/zinc/39/45/21/569394521.db2.gz UWWHBLWPDVAPHW-UHFFFAOYSA-N 0 0 427.464 3.968 50 0 IHAARN COc1cc(NC(=O)N2CCN(Cc3nc4ccc(C)cc4o3)CC2)cc(OC)c1OC ZINC000096323180 569395122 /nfs/dbraw/zinc/39/51/22/569395122.db2.gz JZYRICFOHGGVTC-UHFFFAOYSA-N 0 0 440.500 3.512 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1Cl ZINC000096324786 569396149 /nfs/dbraw/zinc/39/61/49/569396149.db2.gz YWIYVYNPQGSPEI-OAHLLOKOSA-N 0 0 439.903 3.625 50 0 IHAARN CCOc1ccccc1C(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000096331513 569396397 /nfs/dbraw/zinc/39/63/97/569396397.db2.gz HACLKEMSUYKAIT-UHFFFAOYSA-N 0 0 443.507 3.658 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](c3nc(CCNC(=O)C4CCC4)cs3)C2)cc1 ZINC000096373270 569398073 /nfs/dbraw/zinc/39/80/73/569398073.db2.gz PEELSGOFWJTTMC-GOSISDBHSA-N 0 0 427.570 3.630 50 0 IHAARN COc1ccc(OC)c(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1 ZINC000096386945 569398738 /nfs/dbraw/zinc/39/87/38/569398738.db2.gz LQOHLXKWYSCZJG-NRFANRHFSA-N 0 0 431.492 3.815 50 0 IHAARN Cc1oc(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nc1C(=O)N1CCCC1 ZINC000096397145 569399362 /nfs/dbraw/zinc/39/93/62/569399362.db2.gz OEEXYDLKSUBLDN-UHFFFAOYSA-N 0 0 445.585 3.911 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)ccc1F ZINC000096399491 569399971 /nfs/dbraw/zinc/39/99/71/569399971.db2.gz XMAVCMASTQZURL-UHFFFAOYSA-N 0 0 425.532 3.846 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)[nH]n2)cc1 ZINC000096400025 569400233 /nfs/dbraw/zinc/40/02/33/569400233.db2.gz WHSZDGWISAGBIF-UHFFFAOYSA-N 0 0 432.524 3.737 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NC(=O)Nc3ccsc3C(=O)OC)cc2s1 ZINC000096399669 569400275 /nfs/dbraw/zinc/40/02/75/569400275.db2.gz TZAALIFBMVYDCU-UHFFFAOYSA-N 0 0 439.540 3.972 50 0 IHAARN O=S(=O)(c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1)N1CCCC1 ZINC000096562406 569401154 /nfs/dbraw/zinc/40/11/54/569401154.db2.gz IMEOCJQEOYLJGB-UHFFFAOYSA-N 0 0 434.315 3.951 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)Nc2ccc(O)cc2)cc1 ZINC000096582128 569401768 /nfs/dbraw/zinc/40/17/68/569401768.db2.gz ATXIKPGSAFJPOG-STZFKDTASA-N 0 0 448.475 3.828 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)Nc2cccc(O)c2)cc1 ZINC000096594082 569402122 /nfs/dbraw/zinc/40/21/22/569402122.db2.gz YZHZHPPLJXRVCA-BKUYFWCQSA-N 0 0 448.475 3.828 50 0 IHAARN O=C(c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000097010987 569402763 /nfs/dbraw/zinc/40/27/63/569402763.db2.gz IYWYCSDCMZNQEH-OAQYLSRUSA-N 0 0 439.541 3.554 50 0 IHAARN O=C(NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000002474708 569404383 /nfs/dbraw/zinc/40/43/83/569404383.db2.gz HWDOYMMZNYAHKL-DYVFJYSZSA-N 0 0 434.374 3.795 50 0 IHAARN COC(=O)COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002485793 569405060 /nfs/dbraw/zinc/40/50/60/569405060.db2.gz WMNCNYPEBDQNQS-HSZRJFAPSA-N 0 0 438.505 3.554 50 0 IHAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(-c2ccsc2)cc1 ZINC000225620885 569405915 /nfs/dbraw/zinc/40/59/15/569405915.db2.gz ZTYMHMLYANSSBZ-UHFFFAOYSA-N 0 0 441.578 3.641 50 0 IHAARN CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]21 ZINC000002504230 569406246 /nfs/dbraw/zinc/40/62/46/569406246.db2.gz UDNNMKZSAGOAPF-IAGOWNOFSA-N 0 0 428.282 3.663 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 ZINC000028045315 569406485 /nfs/dbraw/zinc/40/64/85/569406485.db2.gz LENAJYLKIYYPCF-LBPRGKRZSA-N 0 0 428.432 3.973 50 0 IHAARN O=C(Cc1ccccc1Br)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225724028 569407396 /nfs/dbraw/zinc/40/73/96/569407396.db2.gz WUPHMJFKGZYGOH-UHFFFAOYSA-N 0 0 443.267 3.586 50 0 IHAARN O=C(c1ccccc1SC(F)F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225742585 569407901 /nfs/dbraw/zinc/40/79/01/569407901.db2.gz GXTAGQGKSATTAI-UHFFFAOYSA-N 0 0 443.523 3.885 50 0 IHAARN CC(C)Sc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000225758986 569408232 /nfs/dbraw/zinc/40/82/32/569408232.db2.gz OAVGCFMAUNTWAY-UHFFFAOYSA-N 0 0 437.565 3.597 50 0 IHAARN O=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225761276 569408326 /nfs/dbraw/zinc/40/83/26/569408326.db2.gz WMPYIUDHUMIFNG-UHFFFAOYSA-N 0 0 427.551 3.525 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1 ZINC000002616623 569410242 /nfs/dbraw/zinc/41/02/42/569410242.db2.gz NJJCRJPTFSTEGG-CHWSQXEVSA-N 0 0 426.897 3.529 50 0 IHAARN COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)C1CCCCC1)oc1ccccc12 ZINC000002619975 569410871 /nfs/dbraw/zinc/41/08/71/569410871.db2.gz JYPXZRGHAKAENH-UHFFFAOYSA-N 0 0 438.480 3.773 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1N)c1ccccc1 ZINC000002629853 569412082 /nfs/dbraw/zinc/41/20/82/569412082.db2.gz ZAZHRZWLAVQTGA-HXUWFJFHSA-N 0 0 446.536 3.843 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21)c1ccccc1 ZINC000002631847 569412466 /nfs/dbraw/zinc/41/24/66/569412466.db2.gz NYMLYUCUPMPTFC-OAHLLOKOSA-N 0 0 449.898 3.643 50 0 IHAARN CN(C(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O)c1ccccc1 ZINC000002633783 569412721 /nfs/dbraw/zinc/41/27/21/569412721.db2.gz VDPXFPSJCZWXLA-UHFFFAOYSA-N 0 0 433.895 3.528 50 0 IHAARN CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002635658 569412888 /nfs/dbraw/zinc/41/28/88/569412888.db2.gz CZGUDIOCUUYKID-UHFFFAOYSA-N 0 0 426.494 3.580 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1 ZINC000002640128 569413579 /nfs/dbraw/zinc/41/35/79/569413579.db2.gz HBEJZJHPOBAMDB-UHFFFAOYSA-N 0 0 425.495 3.995 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000002640785 569413642 /nfs/dbraw/zinc/41/36/42/569413642.db2.gz AFESBZKXFLDMLH-UHFFFAOYSA-N 0 0 438.505 3.975 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000002646862 569414309 /nfs/dbraw/zinc/41/43/09/569414309.db2.gz KBRCMLVNVKFWDS-UHFFFAOYSA-N 0 0 447.494 3.661 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000002647594 569414419 /nfs/dbraw/zinc/41/44/19/569414419.db2.gz MJKMKJDXOUYAFS-WINIVTDRSA-N 0 0 439.515 3.654 50 0 IHAARN CCOCCCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O ZINC000002647575 569414420 /nfs/dbraw/zinc/41/44/20/569414420.db2.gz KGSHEUMGGIJXHH-QGZVFWFLSA-N 0 0 425.554 3.793 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000002652009 569414962 /nfs/dbraw/zinc/41/49/62/569414962.db2.gz GAAMEZVSOGQQLM-UHFFFAOYSA-N 0 0 432.476 3.664 50 0 IHAARN COc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1OCc1ccccc1Cl ZINC000002653292 569415178 /nfs/dbraw/zinc/41/51/78/569415178.db2.gz KMSZUMICGMXHDL-UHFFFAOYSA-N 0 0 429.856 3.994 50 0 IHAARN O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000002657002 569415530 /nfs/dbraw/zinc/41/55/30/569415530.db2.gz URRJGJXWEBJZBA-UHFFFAOYSA-N 0 0 431.517 3.535 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc4nc5c(cc4c3N)CCCC5)CC2)cc1 ZINC000215757947 569415920 /nfs/dbraw/zinc/41/59/20/569415920.db2.gz MJFCPPKHYDHBOL-UHFFFAOYSA-N 0 0 434.565 3.922 50 0 IHAARN O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000002660551 569416014 /nfs/dbraw/zinc/41/60/14/569416014.db2.gz DDEWQLAEXGKOIW-UHFFFAOYSA-N 0 0 437.423 3.971 50 0 IHAARN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(S(=O)(=O)c1ccccc1)c2=O ZINC000002691072 569417033 /nfs/dbraw/zinc/41/70/33/569417033.db2.gz GGOGSPDLBYQVSJ-UHFFFAOYSA-N 0 0 435.501 3.900 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O ZINC000002726224 569418632 /nfs/dbraw/zinc/41/86/32/569418632.db2.gz BBUNVMZBAJAAEQ-OAQYLSRUSA-N 0 0 444.329 3.943 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2)cc1 ZINC000002756079 569420404 /nfs/dbraw/zinc/42/04/04/569420404.db2.gz ZWKDMHPZZROFCY-UHFFFAOYSA-N 0 0 431.452 3.503 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002753673 569420425 /nfs/dbraw/zinc/42/04/25/569420425.db2.gz JDDOBOUNWINRQY-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN Cc1nn(CCNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C)c1Br ZINC000002795709 569422063 /nfs/dbraw/zinc/42/20/63/569422063.db2.gz GKRUAEPYPCBCKW-UHFFFAOYSA-N 0 0 436.741 3.591 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2)c1 ZINC000002922837 569425504 /nfs/dbraw/zinc/42/55/04/569425504.db2.gz ZFTOPDDHXFBPSL-UHFFFAOYSA-N 0 0 426.476 3.675 50 0 IHAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCCC1 ZINC000002927507 569425882 /nfs/dbraw/zinc/42/58/82/569425882.db2.gz XGTIRNHBYPLRSK-OAHLLOKOSA-N 0 0 430.965 3.683 50 0 IHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000002940571 569426633 /nfs/dbraw/zinc/42/66/33/569426633.db2.gz CZAZFCVHEOIKHG-UHFFFAOYSA-N 0 0 432.723 3.914 50 0 IHAARN COc1cc(COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc(OC)c1 ZINC000056949944 569428526 /nfs/dbraw/zinc/42/85/26/569428526.db2.gz OXHMEDKQNXHFJG-UHFFFAOYSA-N 0 0 436.508 3.558 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000056997244 569428790 /nfs/dbraw/zinc/42/87/90/569428790.db2.gz OXRSZSMNYXTIMB-UHFFFAOYSA-N 0 0 442.922 3.995 50 0 IHAARN CCOc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(OCC)c1OCC ZINC000029263378 569429405 /nfs/dbraw/zinc/42/94/05/569429405.db2.gz RUERUVSDYVEMID-UHFFFAOYSA-N 0 0 426.513 3.786 50 0 IHAARN O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccc(Cl)cc1 ZINC000057140284 569429734 /nfs/dbraw/zinc/42/97/34/569429734.db2.gz XDNVBJWXCJFBRH-UHFFFAOYSA-N 0 0 429.351 3.921 50 0 IHAARN COc1cc(OC)cc(-c2noc([C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC000057354843 569431473 /nfs/dbraw/zinc/43/14/73/569431473.db2.gz QIXKDSAKOYUGGJ-SFHVURJKSA-N 0 0 439.493 3.844 50 0 IHAARN CCOC(=O)c1sc2nc(CN(C)CCOc3ccc(Cl)cc3)nc(N)c2c1C ZINC000057373589 569432634 /nfs/dbraw/zinc/43/26/34/569432634.db2.gz IYLIOSSNVWEQTF-UHFFFAOYSA-N 0 0 434.949 3.923 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000057426586 569434614 /nfs/dbraw/zinc/43/46/14/569434614.db2.gz YOBAXHLNSYMBSM-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)c1 ZINC000057427053 569434769 /nfs/dbraw/zinc/43/47/69/569434769.db2.gz HWWGWJRAITYLFZ-UHFFFAOYSA-N 0 0 447.560 3.861 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)Nc1cc(F)ccc1Cl)c2=O ZINC000057428314 569434889 /nfs/dbraw/zinc/43/48/89/569434889.db2.gz VLCXTXCDLQXEMH-UHFFFAOYSA-N 0 0 446.269 3.975 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)no1 ZINC000057428625 569434933 /nfs/dbraw/zinc/43/49/33/569434933.db2.gz IEDGXQXCJULWKI-UHFFFAOYSA-N 0 0 430.486 3.922 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CS(=O)(=O)C3)cc1 ZINC000003008536 569435273 /nfs/dbraw/zinc/43/52/73/569435273.db2.gz CHVSNABYNVEKPR-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 ZINC000057473044 569435698 /nfs/dbraw/zinc/43/56/98/569435698.db2.gz OEFUZQOIFOOKHA-UHFFFAOYSA-N 0 0 447.922 3.918 50 0 IHAARN CCOc1ccc(CCNC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1OCC ZINC000057477358 569435814 /nfs/dbraw/zinc/43/58/14/569435814.db2.gz RUOCFMGFUYIJID-UHFFFAOYSA-N 0 0 439.512 3.864 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 ZINC000057486465 569436470 /nfs/dbraw/zinc/43/64/70/569436470.db2.gz DORKDWZWTVZIIV-UHFFFAOYSA-N 0 0 437.887 3.581 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000057487035 569436599 /nfs/dbraw/zinc/43/65/99/569436599.db2.gz GTEJLNYHHGTQDO-UHFFFAOYSA-N 0 0 432.436 3.971 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491765 569437332 /nfs/dbraw/zinc/43/73/32/569437332.db2.gz YORDLDAGSQIBNN-HNNXBMFYSA-N 0 0 431.945 3.658 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000057491585 569437364 /nfs/dbraw/zinc/43/73/64/569437364.db2.gz ZXFQHFMTRVCTPL-UHFFFAOYSA-N 0 0 439.924 3.839 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1 ZINC000057492386 569437439 /nfs/dbraw/zinc/43/74/39/569437439.db2.gz UAIVNJNBECGQEX-FQEVSTJZSA-N 0 0 445.544 3.634 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O)c1ccccc1 ZINC000057492479 569437480 /nfs/dbraw/zinc/43/74/80/569437480.db2.gz AAFQNHJBXCJYCT-UHFFFAOYSA-N 0 0 433.533 3.884 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c(C)c1 ZINC000057492996 569437528 /nfs/dbraw/zinc/43/75/28/569437528.db2.gz NXINANJNANSVCK-UHFFFAOYSA-N 0 0 425.554 3.622 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)Nc1ccc(Cl)cc1 ZINC000057493968 569437657 /nfs/dbraw/zinc/43/76/57/569437657.db2.gz ZCHBIBLZKKCDIK-UHFFFAOYSA-N 0 0 445.953 3.821 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c1C ZINC000057494590 569437722 /nfs/dbraw/zinc/43/77/22/569437722.db2.gz ZPSONYQDULAVQU-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccc(Cl)cc1 ZINC000057503959 569438151 /nfs/dbraw/zinc/43/81/51/569438151.db2.gz LFADXBOHPSZYAJ-UHFFFAOYSA-N 0 0 446.854 3.505 50 0 IHAARN O=C(Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O)Nc1ccccc1 ZINC000057504569 569438211 /nfs/dbraw/zinc/43/82/11/569438211.db2.gz GDDHAICIIIZCKO-UHFFFAOYSA-N 0 0 446.854 3.505 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n(C)c(=O)c2[nH]1 ZINC000057521331 569438977 /nfs/dbraw/zinc/43/89/77/569438977.db2.gz RLUMVABYZPUTAD-UHFFFAOYSA-N 0 0 430.839 3.973 50 0 IHAARN CC(C)c1nnc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n21 ZINC000057522580 569438992 /nfs/dbraw/zinc/43/89/92/569438992.db2.gz PAEKNTDZKZHABL-UHFFFAOYSA-N 0 0 429.402 3.825 50 0 IHAARN C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2ccc(N(C)C)cc2)C1=O ZINC000003050432 569439149 /nfs/dbraw/zinc/43/91/49/569439149.db2.gz GCOMMKNOMVNOTN-SFHVURJKSA-N 0 0 426.520 3.964 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000003055015 569439367 /nfs/dbraw/zinc/43/93/67/569439367.db2.gz VJHQTZAKEUEXKD-MRLCAUJQSA-N 0 0 427.010 3.929 50 0 IHAARN C[C@H]1C[C@H](C)CN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000003055016 569439376 /nfs/dbraw/zinc/43/93/76/569439376.db2.gz VJHQTZAKEUEXKD-VYMRPNJYSA-N 0 0 427.010 3.929 50 0 IHAARN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000230142804 569439501 /nfs/dbraw/zinc/43/95/01/569439501.db2.gz APHNVLSREYDQGY-OGHNNQOOSA-N 0 0 427.530 3.816 50 0 IHAARN CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000030214930 569441102 /nfs/dbraw/zinc/44/11/02/569441102.db2.gz ACMWNYVONAFDDZ-GFCCVEGCSA-N 0 0 434.265 3.538 50 0 IHAARN COC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003168239 569441125 /nfs/dbraw/zinc/44/11/25/569441125.db2.gz QTCZUQVQKWJSAL-MRVPVSSYSA-N 0 0 435.558 3.788 50 0 IHAARN COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)c(OC)c1 ZINC000003227450 569442202 /nfs/dbraw/zinc/44/22/02/569442202.db2.gz GHMJYUUTEZSOIH-UHFFFAOYSA-N 0 0 431.470 3.500 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003228576 569442236 /nfs/dbraw/zinc/44/22/36/569442236.db2.gz DREDHHQVGHSWKM-UHFFFAOYSA-N 0 0 443.443 3.776 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000003253451 569443033 /nfs/dbraw/zinc/44/30/33/569443033.db2.gz FZNHNBBPQMLAAE-UHFFFAOYSA-N 0 0 444.538 3.867 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(I)cc1 ZINC000003265279 569443330 /nfs/dbraw/zinc/44/33/30/569443330.db2.gz MTWIJXGLVBJNSD-AWEZNQCLSA-N 0 0 437.277 3.586 50 0 IHAARN COC(=O)c1ccc(CNC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003264222 569443385 /nfs/dbraw/zinc/44/33/85/569443385.db2.gz DVEKKHOURFLFEK-UHFFFAOYSA-N 0 0 446.503 3.753 50 0 IHAARN NC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccccc1 ZINC000030564707 569443848 /nfs/dbraw/zinc/44/38/48/569443848.db2.gz BFMKBHBLSOTDDO-ZDUSSCGKSA-N 0 0 431.930 3.584 50 0 IHAARN O=C(CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)Nc1nccs1 ZINC000057987250 569443953 /nfs/dbraw/zinc/44/39/53/569443953.db2.gz IPZMFHUZIOWDFC-UHFFFAOYSA-N 0 0 427.873 3.611 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC2CCCC2)cc1OC ZINC000003286767 569444143 /nfs/dbraw/zinc/44/41/43/569444143.db2.gz YYLRBEQGCOZBLB-UHFFFAOYSA-N 0 0 439.537 3.554 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1C ZINC000003287377 569444191 /nfs/dbraw/zinc/44/41/91/569444191.db2.gz WLZLPAVLVBFIHE-UHFFFAOYSA-N 0 0 431.533 3.518 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000057991256 569444301 /nfs/dbraw/zinc/44/43/01/569444301.db2.gz FGUWKBUODJKPHV-UHFFFAOYSA-N 0 0 446.916 3.897 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC000030590667 569444353 /nfs/dbraw/zinc/44/43/53/569444353.db2.gz WRMPMQZSELIBIU-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)c1 ZINC000003295016 569444603 /nfs/dbraw/zinc/44/46/03/569444603.db2.gz BRWABMYUSXFCNT-UHFFFAOYSA-N 0 0 431.521 3.669 50 0 IHAARN CN(C)S(=O)(=O)c1cc(NC(=O)NCCSCc2ccccc2)ccc1Cl ZINC000058010730 569444813 /nfs/dbraw/zinc/44/48/13/569444813.db2.gz SZRHUDLSBIEWBG-UHFFFAOYSA-N 0 0 427.979 3.645 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000003300823 569445048 /nfs/dbraw/zinc/44/50/48/569445048.db2.gz VKJRUSMLDOSKPO-UHFFFAOYSA-N 0 0 434.823 3.640 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003302681 569445144 /nfs/dbraw/zinc/44/51/44/569445144.db2.gz DKDVSQAXWFDGQF-UHFFFAOYSA-N 0 0 431.521 3.669 50 0 IHAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000003323194 569446079 /nfs/dbraw/zinc/44/60/79/569446079.db2.gz VTIAUBLCIYSNFC-OAHLLOKOSA-N 0 0 443.956 3.735 50 0 IHAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003325680 569446181 /nfs/dbraw/zinc/44/61/81/569446181.db2.gz ZDPUOWSMKXZRQU-UHFFFAOYSA-N 0 0 428.510 3.832 50 0 IHAARN C[C@H](NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)no1 ZINC000670438221 569446811 /nfs/dbraw/zinc/44/68/11/569446811.db2.gz CONSIEDOVNVJGH-KRWDZBQOSA-N 0 0 434.496 3.619 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O ZINC000003362491 569447967 /nfs/dbraw/zinc/44/79/67/569447967.db2.gz KJKOAOMETJYUIJ-HXUWFJFHSA-N 0 0 448.292 3.774 50 0 IHAARN COC[C@H](C)n1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O ZINC000003370456 569448439 /nfs/dbraw/zinc/44/84/39/569448439.db2.gz DOCPNWUJJOMUAG-AWEZNQCLSA-N 0 0 428.510 3.596 50 0 IHAARN Cc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)c3cccn3C)c3ccccc3n2)c(C)c1 ZINC000003379188 569448736 /nfs/dbraw/zinc/44/87/36/569448736.db2.gz KZQDSISXROWTAW-UHFFFAOYSA-N 0 0 441.487 3.971 50 0 IHAARN Cc1ccc(COC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Br)cc1 ZINC000003379757 569448818 /nfs/dbraw/zinc/44/88/18/569448818.db2.gz WSERUZMOOLPWFV-UHFFFAOYSA-N 0 0 426.332 3.801 50 0 IHAARN O=C(OCCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003381143 569448852 /nfs/dbraw/zinc/44/88/52/569448852.db2.gz YRCYKMNYLOPQJM-UHFFFAOYSA-N 0 0 435.242 3.681 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC000003387763 569449050 /nfs/dbraw/zinc/44/90/50/569449050.db2.gz CMPINBYOUJODLJ-FQEVSTJZSA-N 0 0 428.554 3.724 50 0 IHAARN Cn1cnc(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000058157699 569449051 /nfs/dbraw/zinc/44/90/51/569449051.db2.gz RHCZLBMIMSTQMU-HNNXBMFYSA-N 0 0 439.313 3.841 50 0 IHAARN COc1cc(C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)ccc1OC(F)F ZINC000003437421 569451051 /nfs/dbraw/zinc/45/10/51/569451051.db2.gz TUAXIZVLSJBIHU-UHFFFAOYSA-N 0 0 432.404 3.876 50 0 IHAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003449124 569451540 /nfs/dbraw/zinc/45/15/40/569451540.db2.gz AODCIDZYMZWYTG-UHFFFAOYSA-N 0 0 439.371 3.840 50 0 IHAARN O=Cc1coc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(Br)cc2c1=O ZINC000003450904 569451660 /nfs/dbraw/zinc/45/16/60/569451660.db2.gz IKLZQOALJOWTBK-UHFFFAOYSA-N 0 0 443.278 3.897 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)no1 ZINC000003456047 569451802 /nfs/dbraw/zinc/45/18/02/569451802.db2.gz ZSDBBJVLFAWOTB-GOSISDBHSA-N 0 0 449.492 3.807 50 0 IHAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003461962 569451950 /nfs/dbraw/zinc/45/19/50/569451950.db2.gz PKUDZVXOOMHDJX-UHFFFAOYSA-N 0 0 444.443 3.863 50 0 IHAARN O=C(Nc1ccccc1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003473613 569452191 /nfs/dbraw/zinc/45/21/91/569452191.db2.gz AVYWYEMBKKOOSR-UHFFFAOYSA-N 0 0 436.533 3.551 50 0 IHAARN Cc1c(Cl)cccc1-n1c(SCC(=O)N2CCCC2=O)nnc1-c1ccncc1 ZINC000003477147 569452250 /nfs/dbraw/zinc/45/22/50/569452250.db2.gz PVSFWFKGSAIHCK-UHFFFAOYSA-N 0 0 427.917 3.532 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(C)cc1Br ZINC000003491797 569452588 /nfs/dbraw/zinc/45/25/88/569452588.db2.gz YMKATRFKJPOARY-UHFFFAOYSA-N 0 0 448.346 3.781 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2)cc1Cl ZINC000003497156 569452654 /nfs/dbraw/zinc/45/26/54/569452654.db2.gz ACVOSBFAEPFLKK-UHFFFAOYSA-N 0 0 444.944 3.547 50 0 IHAARN CS(=O)(=O)c1ccc(C2(C(=O)NCc3ccc4nsnc4c3)CCCCC2)cc1 ZINC000670444971 569452817 /nfs/dbraw/zinc/45/28/17/569452817.db2.gz KZNAKGFJFHXSED-UHFFFAOYSA-N 0 0 429.567 3.613 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000003522192 569453260 /nfs/dbraw/zinc/45/32/60/569453260.db2.gz RSFWZXXEXCOZNY-UHFFFAOYSA-N 0 0 429.538 3.826 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)sc2C)cc1 ZINC000003554287 569453897 /nfs/dbraw/zinc/45/38/97/569453897.db2.gz QKQYWMQPWRUKIG-UHFFFAOYSA-N 0 0 449.529 3.525 50 0 IHAARN C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000003559189 569454032 /nfs/dbraw/zinc/45/40/32/569454032.db2.gz KOHKKJKOHYHPFI-VIFPVBQESA-N 0 0 434.272 3.720 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2)cc1 ZINC000031151568 569454069 /nfs/dbraw/zinc/45/40/69/569454069.db2.gz DHOZFGCHVHEFCQ-UHFFFAOYSA-N 0 0 448.495 3.684 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2)c1 ZINC000031153045 569454121 /nfs/dbraw/zinc/45/41/21/569454121.db2.gz FNXCFBNQPIOVQV-UHFFFAOYSA-N 0 0 448.495 3.968 50 0 IHAARN CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000003580197 569454294 /nfs/dbraw/zinc/45/42/94/569454294.db2.gz ZWSUUYTWPGZBEA-UHFFFAOYSA-N 0 0 427.595 3.808 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)n1 ZINC000058406638 569454296 /nfs/dbraw/zinc/45/42/96/569454296.db2.gz UQTSMGBNLCGLMP-AWEZNQCLSA-N 0 0 427.448 3.539 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000003598799 569454719 /nfs/dbraw/zinc/45/47/19/569454719.db2.gz YWOJDCHPLZHHOF-UHFFFAOYSA-N 0 0 437.370 3.855 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000003611569 569454987 /nfs/dbraw/zinc/45/49/87/569454987.db2.gz BSMHQEMNDVRHMI-UHFFFAOYSA-N 0 0 429.311 3.871 50 0 IHAARN C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000031310216 569455757 /nfs/dbraw/zinc/45/57/57/569455757.db2.gz NATWGBFEISTQBO-CQSZACIVSA-N 0 0 426.870 3.753 50 0 IHAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4cc(C)c5ccccc5n4)CC3)c[nH]c21 ZINC000031807328 569457503 /nfs/dbraw/zinc/45/75/03/569457503.db2.gz RMQJAUMEEWGWDS-DEOSSOPVSA-N 0 0 430.508 3.981 50 0 IHAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nc(=O)c3c4c(sc3[nH]1)CCCC4)C2 ZINC000031814417 569457903 /nfs/dbraw/zinc/45/79/03/569457903.db2.gz TWDZNXLQYQHOPW-INIZCTEOSA-N 0 0 428.535 3.780 50 0 IHAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000032093196 569459694 /nfs/dbraw/zinc/45/96/94/569459694.db2.gz PIKDSGAYKORBAM-CYBMUJFWSA-N 0 0 427.254 3.547 50 0 IHAARN Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCCc3ccccc3)n2)cc1 ZINC000032097299 569459982 /nfs/dbraw/zinc/45/99/82/569459982.db2.gz SRZXTNPXLSYCOS-UHFFFAOYSA-N 0 0 431.448 3.550 50 0 IHAARN CC1=C[C@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@@H](C)C1 ZINC000004201051 569460919 /nfs/dbraw/zinc/46/09/19/569460919.db2.gz ZHWAMRJQVFCPPU-VXKWHMMOSA-N 0 0 434.621 3.653 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1OC ZINC000038487472 569462913 /nfs/dbraw/zinc/46/29/13/569462913.db2.gz LUFBOCBSPWSHGR-UHFFFAOYSA-N 0 0 429.480 3.585 50 0 IHAARN CCS(=O)(=O)CCCCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000008767609 569474911 /nfs/dbraw/zinc/47/49/11/569474911.db2.gz ALAGDEJOKPYIQW-UHFFFAOYSA-N 0 0 436.481 3.958 50 0 IHAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2nsnc2c1 ZINC000038565184 569464099 /nfs/dbraw/zinc/46/40/99/569464099.db2.gz ISCRQJLPZCOMIP-SFHVURJKSA-N 0 0 447.538 3.837 50 0 IHAARN COc1ccccc1N1CCN(CCNC(=O)Cc2ccc(SC(C)C)cc2)CC1 ZINC000038589573 569464219 /nfs/dbraw/zinc/46/42/19/569464219.db2.gz PVSVHDGTXHMBMS-UHFFFAOYSA-N 0 0 427.614 3.677 50 0 IHAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000067198578 569464452 /nfs/dbraw/zinc/46/44/52/569464452.db2.gz DMHDZHLJAPIIQZ-UHFFFAOYSA-N 0 0 428.286 3.629 50 0 IHAARN COc1cccc(-c2cn(C)c3c2ncn(CC(=O)N[C@H](C)CCc2ccccc2)c3=O)c1 ZINC000067235583 569465390 /nfs/dbraw/zinc/46/53/90/569465390.db2.gz IEONIOSESPVOSJ-GOSISDBHSA-N 0 0 444.535 3.548 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236425 569465458 /nfs/dbraw/zinc/46/54/58/569465458.db2.gz FTLQTWWAVMSNBV-UHFFFAOYSA-N 0 0 430.436 3.683 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067237371 569465514 /nfs/dbraw/zinc/46/55/14/569465514.db2.gz PJNVLNLVAXCVJE-UHFFFAOYSA-N 0 0 438.484 3.901 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)cc1 ZINC000067238704 569465619 /nfs/dbraw/zinc/46/56/19/569465619.db2.gz DSBJACXGHKWMIS-CQSZACIVSA-N 0 0 442.541 3.912 50 0 IHAARN COC(=O)c1cn(Cc2cccc(Cl)c2)nc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000067245722 569465975 /nfs/dbraw/zinc/46/59/75/569465975.db2.gz NOPGUVPFZBSNKJ-UHFFFAOYSA-N 0 0 433.917 3.505 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)nc23)c(C)c1 ZINC000067255631 569466072 /nfs/dbraw/zinc/46/60/72/569466072.db2.gz FAZCMXLAMBREHV-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1F ZINC000067258601 569466146 /nfs/dbraw/zinc/46/61/46/569466146.db2.gz UBJWXEGJEDZWFC-UHFFFAOYSA-N 0 0 429.492 3.980 50 0 IHAARN CCOc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000067260857 569466413 /nfs/dbraw/zinc/46/64/13/569466413.db2.gz SJQGXFGPTRMZBX-UHFFFAOYSA-N 0 0 444.535 3.885 50 0 IHAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5cccs5)CC4)nccn3n2)c1 ZINC000067263431 569466688 /nfs/dbraw/zinc/46/66/88/569466688.db2.gz UYFOHXJJBORQOO-UHFFFAOYSA-N 0 0 447.564 3.999 50 0 IHAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 ZINC000067288959 569467446 /nfs/dbraw/zinc/46/74/46/569467446.db2.gz REFJMZPMFDBVCN-IBGZPJMESA-N 0 0 443.912 3.578 50 0 IHAARN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000067300782 569468238 /nfs/dbraw/zinc/46/82/38/569468238.db2.gz DGWGWIPLLQZRRH-INIZCTEOSA-N 0 0 439.943 3.593 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1CCO ZINC000067300814 569468247 /nfs/dbraw/zinc/46/82/47/569468247.db2.gz UQIPCVAARVBHBS-UHFFFAOYSA-N 0 0 449.404 3.550 50 0 IHAARN CSc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c1 ZINC000067301645 569468321 /nfs/dbraw/zinc/46/83/21/569468321.db2.gz WOMBGERIQLTKTA-UHFFFAOYSA-N 0 0 443.956 3.768 50 0 IHAARN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000067316600 569468401 /nfs/dbraw/zinc/46/84/01/569468401.db2.gz YGUTXWRBFWNNLV-MRXNPFEDSA-N 0 0 439.943 3.593 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 ZINC000067323049 569468737 /nfs/dbraw/zinc/46/87/37/569468737.db2.gz MNUHITZKXHAAJR-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 ZINC000067322997 569468745 /nfs/dbraw/zinc/46/87/45/569468745.db2.gz JZRDOIWHUHQJSB-UHFFFAOYSA-N 0 0 425.876 3.642 50 0 IHAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 ZINC000067323377 569468776 /nfs/dbraw/zinc/46/87/76/569468776.db2.gz YWQDFEXZSCPRQG-UHFFFAOYSA-N 0 0 433.390 3.505 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000067323928 569468778 /nfs/dbraw/zinc/46/87/78/569468778.db2.gz FLSZODILOMWENV-UHFFFAOYSA-N 0 0 432.480 3.918 50 0 IHAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)nnn1CC(=O)Nc1ccc(C)cc1 ZINC000067323533 569468791 /nfs/dbraw/zinc/46/87/91/569468791.db2.gz PHDQYTCMFMTNIX-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc3ccc4ccccc4n31)CCCC2 ZINC000008718020 569471278 /nfs/dbraw/zinc/47/12/78/569471278.db2.gz ACIFMMNNROHBAC-UHFFFAOYSA-N 0 0 437.550 3.653 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2)c1 ZINC000008728984 569472501 /nfs/dbraw/zinc/47/25/01/569472501.db2.gz NOYGELAPCPFABY-UHFFFAOYSA-N 0 0 440.363 3.530 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1OC(F)F ZINC000008735913 569472654 /nfs/dbraw/zinc/47/26/54/569472654.db2.gz SRAQGUTUBHJQML-UHFFFAOYSA-N 0 0 443.435 3.853 50 0 IHAARN CCOc1cc(Br)c(CC(=O)NCc2ccc3c(c2)OCO3)cc1OCC ZINC000008735519 569472685 /nfs/dbraw/zinc/47/26/85/569472685.db2.gz QGZAEGWIKARDQQ-UHFFFAOYSA-N 0 0 436.302 3.834 50 0 IHAARN COc1ccc(/C=C\C(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)cc1OC ZINC000008740198 569472772 /nfs/dbraw/zinc/47/27/72/569472772.db2.gz GCVMEXSUEGULKU-POHAHGRESA-N 0 0 441.524 3.599 50 0 biogenic IHAARN COCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)sc2cccc(F)c21 ZINC000008749172 569473271 /nfs/dbraw/zinc/47/32/71/569473271.db2.gz HHCNHPZSVWTISV-UHFFFAOYSA-N 0 0 436.530 3.998 50 0 IHAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(Cl)s1 ZINC000008749828 569473286 /nfs/dbraw/zinc/47/32/86/569473286.db2.gz LQQMZQOIXFPXGV-CQSZACIVSA-N 0 0 442.006 3.645 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cccc2ccccc21 ZINC000008770999 569475147 /nfs/dbraw/zinc/47/51/47/569475147.db2.gz BMUNLFIZXPIRBM-OWJWWREXSA-N 0 0 433.533 3.862 50 0 IHAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008772205 569475236 /nfs/dbraw/zinc/47/52/36/569475236.db2.gz QFPVJGRXIFCJRI-UHFFFAOYSA-N 0 0 432.929 3.682 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nc(C)nc2ccccc21 ZINC000008824440 569477173 /nfs/dbraw/zinc/47/71/73/569477173.db2.gz VAWSIGIXPQTUPZ-UHFFFAOYSA-N 0 0 435.402 4.000 50 0 IHAARN CCCOc1c(Br)cc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000008825012 569477304 /nfs/dbraw/zinc/47/73/04/569477304.db2.gz ZNDVVPUSTUWIBX-UHFFFAOYSA-N 0 0 448.269 3.657 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000008825361 569477348 /nfs/dbraw/zinc/47/73/48/569477348.db2.gz FZHBRENYVYTLFP-MRDQGFSESA-N 0 0 448.519 3.960 50 0 IHAARN O=C1O[C@@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(Cl)c(Cl)c1 ZINC000008838491 569478350 /nfs/dbraw/zinc/47/83/50/569478350.db2.gz HMMCFUASOCCHES-NSHDSACASA-N 0 0 435.716 3.951 50 0 IHAARN CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000008843916 569478563 /nfs/dbraw/zinc/47/85/63/569478563.db2.gz MKXQMLIQBVUQCC-FQEVSTJZSA-N 0 0 445.541 3.553 50 0 IHAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(OC)cc1 ZINC000008856183 569479754 /nfs/dbraw/zinc/47/97/54/569479754.db2.gz KFJWGTKEJDZFLT-FQEVSTJZSA-N 0 0 443.521 3.830 50 0 IHAARN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-n2cccc2)cc1 ZINC000008862250 569480125 /nfs/dbraw/zinc/48/01/25/569480125.db2.gz WSNXAEXKIHTSJW-UHFFFAOYSA-N 0 0 436.471 3.618 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000008862346 569480146 /nfs/dbraw/zinc/48/01/46/569480146.db2.gz ZGWPPENXRJIVPE-OAHLLOKOSA-N 0 0 444.516 3.889 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O ZINC000008862223 569480166 /nfs/dbraw/zinc/48/01/66/569480166.db2.gz NIIZMVVJIHIQEJ-VWLOTQADSA-N 0 0 440.459 3.997 50 0 IHAARN Cc1cc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2cc1C ZINC000008868934 569480397 /nfs/dbraw/zinc/48/03/97/569480397.db2.gz PMLOQULKSYJSIN-UHFFFAOYSA-N 0 0 428.491 3.675 50 0 IHAARN COc1ccc(N2C[C@@H](CNC(=O)NCc3cccc4ccccc43)OC2=O)cc1OC ZINC000008868443 569480404 /nfs/dbraw/zinc/48/04/04/569480404.db2.gz HVZYMIVMNRMDFQ-LJQANCHMSA-N 0 0 435.480 3.682 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2cccc3ccccc32)C1=O ZINC000008879644 569481373 /nfs/dbraw/zinc/48/13/73/569481373.db2.gz VXHNOFOSXMEKNT-VWLOTQADSA-N 0 0 430.460 3.651 50 0 IHAARN Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1 ZINC000039572993 569481749 /nfs/dbraw/zinc/48/17/49/569481749.db2.gz BKTFSRDMVKFTJH-INIZCTEOSA-N 0 0 444.553 3.631 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000039975749 569482160 /nfs/dbraw/zinc/48/21/60/569482160.db2.gz SBNVPUJJNMAACP-OAQYLSRUSA-N 0 0 437.496 3.742 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(=O)oc2c1 ZINC000040017426 569482613 /nfs/dbraw/zinc/48/26/13/569482613.db2.gz IURHPPQFPHAVDP-SFHVURJKSA-N 0 0 448.519 3.920 50 0 IHAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000040024430 569482768 /nfs/dbraw/zinc/48/27/68/569482768.db2.gz TUTYXMIKYUPOMV-UHFFFAOYSA-N 0 0 433.556 3.692 50 0 IHAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000040024977 569482791 /nfs/dbraw/zinc/48/27/91/569482791.db2.gz GJDZEQLLNFWNTB-UHFFFAOYSA-N 0 0 449.326 3.595 50 0 IHAARN Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)sc1CC(N)=O ZINC000040025088 569482824 /nfs/dbraw/zinc/48/28/24/569482824.db2.gz BGGFLWOBWGRJAD-UHFFFAOYSA-N 0 0 446.623 3.587 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000040024999 569482838 /nfs/dbraw/zinc/48/28/38/569482838.db2.gz BTBJYRVOIKYQLH-NSYGIPOTSA-N 0 0 433.508 3.747 50 0 IHAARN Cc1nn(C(C)(C)C)c(OC(=O)COc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000008884103 569483095 /nfs/dbraw/zinc/48/30/95/569483095.db2.gz PTASBFUAOTYMKC-UHFFFAOYSA-N 0 0 428.510 3.764 50 0 IHAARN Cc1c(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040040214 569483384 /nfs/dbraw/zinc/48/33/84/569483384.db2.gz UFJSFCJIBARYPG-OAHLLOKOSA-N 0 0 446.429 3.798 50 0 IHAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000008892998 569483554 /nfs/dbraw/zinc/48/35/54/569483554.db2.gz GHXLYKFFRFHNOW-UHFFFAOYSA-N 0 0 444.520 3.954 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2cccs2)s1 ZINC000008912410 569485038 /nfs/dbraw/zinc/48/50/38/569485038.db2.gz NELPYZDGXKERJK-UHFFFAOYSA-N 0 0 442.609 3.752 50 0 IHAARN O=C(CCOc1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040069844 569485423 /nfs/dbraw/zinc/48/54/23/569485423.db2.gz QEAVRUBMLGQPGJ-UHFFFAOYSA-N 0 0 425.287 3.886 50 0 IHAARN CCCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000040070267 569485641 /nfs/dbraw/zinc/48/56/41/569485641.db2.gz NDPXROGVNPAJGA-UHFFFAOYSA-N 0 0 432.508 3.897 50 0 IHAARN C[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)c1cc2ccccc2o1 ZINC000040071974 569485838 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444.413 3.602 50 0 IHAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])CC1 ZINC000008932343 569487611 /nfs/dbraw/zinc/48/76/11/569487611.db2.gz XJGUKOBDQKQDTG-UHFFFAOYSA-N 0 0 427.545 3.870 50 0 IHAARN O=C(NC1CCCC1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933701 569487831 /nfs/dbraw/zinc/48/78/31/569487831.db2.gz YQNUUPFYFHHKAO-UHFFFAOYSA-N 0 0 431.540 3.574 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC(C)C)cc1 ZINC000008940376 569488331 /nfs/dbraw/zinc/48/83/31/569488331.db2.gz RPTWCZNMMULIAL-UHFFFAOYSA-N 0 0 428.562 3.587 50 0 IHAARN COc1cc2ncn(CCCC(=O)N3CCC[C@H]3c3ccsc3)c(=O)c2cc1OC ZINC000040107748 569488487 /nfs/dbraw/zinc/48/84/87/569488487.db2.gz DZHHHHNXMZWHOS-SFHVURJKSA-N 0 0 427.526 3.619 50 0 IHAARN C[C@@]1(c2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)NC(=O)NC1=O ZINC000040111082 569488796 /nfs/dbraw/zinc/48/87/96/569488796.db2.gz ZQXAGJDKQKZJIF-NRFANRHFSA-N 0 0 427.551 3.862 50 0 IHAARN COc1cc([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1OC ZINC000040111757 569488864 /nfs/dbraw/zinc/48/88/64/569488864.db2.gz QGYFJEARNIQRQL-CYBMUJFWSA-N 0 0 426.517 3.917 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc(OC)c1C ZINC000040113949 569489063 /nfs/dbraw/zinc/48/90/63/569489063.db2.gz SKUNGWNPTXKUEG-UHFFFAOYSA-N 0 0 428.504 3.628 50 0 IHAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000008950163 569489201 /nfs/dbraw/zinc/48/92/01/569489201.db2.gz YNSIFFWZXUDWSP-AWEZNQCLSA-N 0 0 439.537 3.787 50 0 IHAARN CC1CCN(Cc2csc(NC(=O)c3ccc(OCc4nccn4C)cc3)n2)CC1 ZINC000040119819 569489421 /nfs/dbraw/zinc/48/94/21/569489421.db2.gz JMDSMXBOQOBCGJ-UHFFFAOYSA-N 0 0 425.558 3.940 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000040121964 569489603 /nfs/dbraw/zinc/48/96/03/569489603.db2.gz VEZHSGJCLYUKGU-YJBOKZPZSA-N 0 0 427.932 3.538 50 0 IHAARN O=C(c1cccc(F)c1)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000008952188 569489998 /nfs/dbraw/zinc/48/99/98/569489998.db2.gz BZQNEGBZXJLRFO-JOCHJYFZSA-N 0 0 434.442 3.982 50 0 IHAARN O=C(NCCc1ccccc1F)C1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 ZINC000040142354 569491849 /nfs/dbraw/zinc/49/18/49/569491849.db2.gz MKJVQLHKNHMBRJ-UHFFFAOYSA-N 0 0 427.501 3.753 50 0 IHAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1 ZINC000040145784 569492153 /nfs/dbraw/zinc/49/21/53/569492153.db2.gz RRYBVHPXLSAMCM-UHFFFAOYSA-N 0 0 439.489 3.791 50 0 IHAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000040145707 569492192 /nfs/dbraw/zinc/49/21/92/569492192.db2.gz XNEYMENHSJJKIO-GOSISDBHSA-N 0 0 439.482 3.975 50 0 IHAARN CC(C)CCNC(=O)C1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 ZINC000040146876 569492345 /nfs/dbraw/zinc/49/23/45/569492345.db2.gz GQMDLNYVVFIXNQ-UHFFFAOYSA-N 0 0 433.499 3.953 50 0 IHAARN COC(=O)CN(Cc1ccc(Cl)cc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000040149121 569492410 /nfs/dbraw/zinc/49/24/10/569492410.db2.gz AOZBXHDIBHBBAW-UHFFFAOYSA-N 0 0 447.900 3.887 50 0 IHAARN Cc1nccn1C[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040156067 569494047 /nfs/dbraw/zinc/49/40/47/569494047.db2.gz HNQJBUTXSWZZCE-HNNXBMFYSA-N 0 0 436.478 3.515 50 0 IHAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000040158153 569494535 /nfs/dbraw/zinc/49/45/35/569494535.db2.gz SRALJNUXFGSBPK-UHFFFAOYSA-N 0 0 428.492 3.874 50 0 IHAARN CCOc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1OCC ZINC000008982822 569494591 /nfs/dbraw/zinc/49/45/91/569494591.db2.gz UWVXGLIDFBBNIB-QFIPXVFZSA-N 0 0 435.542 3.931 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc(OC)c1 ZINC000008990176 569494991 /nfs/dbraw/zinc/49/49/91/569494991.db2.gz JVHCISVJJYXOJV-GOSISDBHSA-N 0 0 435.524 3.995 50 0 IHAARN O=C(Oc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040159979 569495080 /nfs/dbraw/zinc/49/50/80/569495080.db2.gz WKXSXBUSKJWCBZ-UHFFFAOYSA-N 0 0 448.335 3.656 50 0 IHAARN COC(=O)c1ccc(OC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000040160266 569495081 /nfs/dbraw/zinc/49/50/81/569495081.db2.gz OFWCHSGLSBXRHW-PSNSNTLYSA-N 0 0 441.524 3.595 50 0 IHAARN C[C@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 ZINC000009001566 569496004 /nfs/dbraw/zinc/49/60/04/569496004.db2.gz KJTBTGMIECEPBR-ZFWWWQNUSA-N 0 0 429.952 3.752 50 0 IHAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCC[C@@H]1C1OCCO1 ZINC000069200562 569496962 /nfs/dbraw/zinc/49/69/62/569496962.db2.gz HKBUBEMNXGAVOS-LJQANCHMSA-N 0 0 428.554 3.619 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(Br)cc3C)n2)cc1 ZINC000009031573 569497089 /nfs/dbraw/zinc/49/70/89/569497089.db2.gz XAVZGBYZWDJRET-UHFFFAOYSA-N 0 0 432.274 3.511 50 0 IHAARN COc1ccc(OC)c(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c1 ZINC000009043255 569497846 /nfs/dbraw/zinc/49/78/46/569497846.db2.gz UAHSRDKVYWCVKW-UHFFFAOYSA-N 0 0 425.437 3.617 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000040287557 569498203 /nfs/dbraw/zinc/49/82/03/569498203.db2.gz GZRDHFDAGWBNAW-FQEVSTJZSA-N 0 0 433.386 3.523 50 0 IHAARN O=C(CCc1ccccc1)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000009048374 569498487 /nfs/dbraw/zinc/49/84/87/569498487.db2.gz JVIWXRCHPASSOZ-IBGZPJMESA-N 0 0 439.821 3.604 50 0 IHAARN CCOC(=O)C(=O)Nc1c(C(=O)OC)sc2nc(-c3ccccc3Cl)nc(C)c21 ZINC000009050456 569498637 /nfs/dbraw/zinc/49/86/37/569498637.db2.gz FLQUOEQVOMNXOK-UHFFFAOYSA-N 0 0 433.873 3.608 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000009056724 569499073 /nfs/dbraw/zinc/49/90/73/569499073.db2.gz MVYVBEIMRSPDKN-UHFFFAOYSA-N 0 0 441.487 3.519 50 0 IHAARN Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccsc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000009056564 569499109 /nfs/dbraw/zinc/49/91/09/569499109.db2.gz KHYCXKWQBKQDBG-UHFFFAOYSA-N 0 0 446.532 3.979 50 0 IHAARN Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc21 ZINC000009060507 569499373 /nfs/dbraw/zinc/49/93/73/569499373.db2.gz QQJQEBHCZCNHOU-UHFFFAOYSA-N 0 0 427.508 3.781 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000069311804 569500259 /nfs/dbraw/zinc/50/02/59/569500259.db2.gz NNYLDKAOXPXHLP-SNVBAGLBSA-N 0 0 434.258 3.851 50 0 IHAARN C[C@@H](Sc1nnc(-c2cc(Br)ccc2O)n1C)C(=O)Nc1nccs1 ZINC000009096086 569501379 /nfs/dbraw/zinc/50/13/79/569501379.db2.gz DKVJIBKSMCPSGN-MRVPVSSYSA-N 0 0 440.348 3.526 50 0 IHAARN O=C(CN1CCc2ccccc2C1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009097126 569501494 /nfs/dbraw/zinc/50/14/94/569501494.db2.gz NWOHMZCYIHWHKW-UHFFFAOYSA-N 0 0 447.988 3.511 50 0 IHAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000009098064 569501513 /nfs/dbraw/zinc/50/15/13/569501513.db2.gz XSQNKPKEZXPVJJ-HTAPYJJXSA-N 0 0 435.524 3.796 50 0 IHAARN O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)N1CCNC1=O ZINC000009111804 569502345 /nfs/dbraw/zinc/50/23/45/569502345.db2.gz CIFRZGSPTCGUGG-UHFFFAOYSA-N 0 0 427.511 3.718 50 0 IHAARN CC(C)n1c2ccccc2nc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009112954 569502477 /nfs/dbraw/zinc/50/24/77/569502477.db2.gz BMAFDIORWKKOGS-GOSISDBHSA-N 0 0 443.594 3.930 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/nfs/dbraw/zinc/50/79/40/569507940.db2.gz NZJYXLDZRDVNET-ZIAGYGMSSA-N 0 0 432.567 3.873 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 ZINC000009155258 569508224 /nfs/dbraw/zinc/50/82/24/569508224.db2.gz AHBQKNVQZNGIKQ-FQEVSTJZSA-N 0 0 441.487 3.606 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009167563 569509008 /nfs/dbraw/zinc/50/90/08/569509008.db2.gz GZSDFSJMXCWVNK-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 ZINC000009193614 569510907 /nfs/dbraw/zinc/51/09/07/569510907.db2.gz TXXFAZIWRHXZCA-SANMLTNESA-N 0 0 427.504 3.932 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NC1CCCC1 ZINC000009194530 569510929 /nfs/dbraw/zinc/51/09/29/569510929.db2.gz YJHALEZUCINZMI-UHFFFAOYSA-N 0 0 448.972 3.525 50 0 IHAARN CSc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000009211643 569511821 /nfs/dbraw/zinc/51/18/21/569511821.db2.gz UUZSKFWUYKBVHW-AWEZNQCLSA-N 0 0 432.567 3.509 50 0 IHAARN COc1cccc(/C=C2/SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000009216162 569512141 /nfs/dbraw/zinc/51/21/41/569512141.db2.gz HXPVBAIURGYNQN-KGENOOAVSA-N 0 0 449.532 3.962 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000009216813 569512184 /nfs/dbraw/zinc/51/21/84/569512184.db2.gz PLJXCAFWRPMCAR-UHFFFAOYSA-N 0 0 437.525 3.545 50 0 IHAARN COc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)sc2c1 ZINC000009218634 569512441 /nfs/dbraw/zinc/51/24/41/569512441.db2.gz ZROCNAYMWPYJCV-GOSISDBHSA-N 0 0 433.555 3.555 50 0 IHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1=O ZINC000009224059 569513108 /nfs/dbraw/zinc/51/31/08/569513108.db2.gz WUNRTESIQGHMLS-RUZDIDTESA-N 0 0 439.475 3.636 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000009226041 569513256 /nfs/dbraw/zinc/51/32/56/569513256.db2.gz MNOMTZNJRFIDJS-RISCZKNCSA-N 0 0 439.379 3.737 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C ZINC000009226415 569513277 /nfs/dbraw/zinc/51/32/77/569513277.db2.gz ANTMXSHRMWXALC-LSDHHAIUSA-N 0 0 432.567 3.785 50 0 IHAARN CC(=O)c1cccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 ZINC000009227497 569513380 /nfs/dbraw/zinc/51/33/80/569513380.db2.gz LZOIHVBSEPBCON-UHFFFAOYSA-N 0 0 436.533 3.561 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1 ZINC000009227537 569513498 /nfs/dbraw/zinc/51/34/98/569513498.db2.gz PAASVBLWYGWNPO-UHFFFAOYSA-N 0 0 436.961 3.552 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000009227760 569513514 /nfs/dbraw/zinc/51/35/14/569513514.db2.gz SZFNFVJBWLXCHZ-AWEZNQCLSA-N 0 0 429.369 3.897 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239205 569514463 /nfs/dbraw/zinc/51/44/63/569514463.db2.gz WFIRXHUAWQCWGW-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1nn(-c2ccccc2)cc1OC ZINC000009244652 569515098 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Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2c1 ZINC000009430812 569534011 /nfs/dbraw/zinc/53/40/11/569534011.db2.gz CHVCIIMVVWHTNX-IAGOWNOFSA-N 0 0 442.537 3.720 50 0 IHAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1 ZINC000009431742 569534232 /nfs/dbraw/zinc/53/42/32/569534232.db2.gz NZBQNTHSLRCFMF-QGZVFWFLSA-N 0 0 426.904 3.931 50 0 IHAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000009440365 569535214 /nfs/dbraw/zinc/53/52/14/569535214.db2.gz KRZAGHRMFCQIOW-UHFFFAOYSA-N 0 0 436.917 3.597 50 0 IHAARN CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009440838 569535243 /nfs/dbraw/zinc/53/52/43/569535243.db2.gz PQTQTSSSYZRJQC-LBPRGKRZSA-N 0 0 436.580 3.644 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NCCc1ccc(F)cc1 ZINC000009442746 569535592 /nfs/dbraw/zinc/53/55/92/569535592.db2.gz HJGHULPHENKYOD-UHFFFAOYSA-N 0 0 435.322 3.824 50 0 IHAARN COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC ZINC000009446615 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435.600 3.835 50 0 IHAARN O=C(NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000009460266 569536940 /nfs/dbraw/zinc/53/69/40/569536940.db2.gz UWJCBTMBZIELHQ-UHFFFAOYSA-N 0 0 445.507 3.612 50 0 IHAARN O=C(CSc1nnnn1Cc1cccs1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000009461389 569537063 /nfs/dbraw/zinc/53/70/63/569537063.db2.gz VUZWJNJIHZVHQC-UHFFFAOYSA-N 0 0 442.473 3.541 50 0 IHAARN Cc1nc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cs1 ZINC000009461942 569537130 /nfs/dbraw/zinc/53/71/30/569537130.db2.gz FVKWDZVQQAFSOR-UHFFFAOYSA-N 0 0 449.598 3.583 50 0 IHAARN Cc1nc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC000009461922 569537145 /nfs/dbraw/zinc/53/71/45/569537145.db2.gz SRZFKWKXDLWLCZ-UHFFFAOYSA-N 0 0 436.599 3.893 50 0 IHAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3Cl)n2N)c(C)c1 ZINC000009463784 569537524 /nfs/dbraw/zinc/53/75/24/569537524.db2.gz XTPIOXDCWIIBLY-UHFFFAOYSA-N 0 0 431.949 3.880 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)c(Br)c1 ZINC000009463725 569537539 /nfs/dbraw/zinc/53/75/39/569537539.db2.gz VLTVOXOELLMXOO-UHFFFAOYSA-N 0 0 436.310 3.600 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000009466416 569538195 /nfs/dbraw/zinc/53/81/95/569538195.db2.gz YAOXMLAHRDMURR-PZPWOCDFSA-N 0 0 444.478 3.629 50 0 IHAARN COc1cccc(-n2cnnc2SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 ZINC000009469058 569538733 /nfs/dbraw/zinc/53/87/33/569538733.db2.gz VUVAMBFGBMZXJQ-IBGZPJMESA-N 0 0 426.542 3.848 50 0 IHAARN CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000009469757 569538847 /nfs/dbraw/zinc/53/88/47/569538847.db2.gz JVHSNHZVVNOINK-HXUWFJFHSA-N 0 0 446.576 3.974 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(Cl)ccn2)c1 ZINC000009469918 569538858 /nfs/dbraw/zinc/53/88/58/569538858.db2.gz DSRIDOJNFUSKFT-UHFFFAOYSA-N 0 0 436.965 3.618 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)Cc3cccc4ccccc43)sc2c1 ZINC000009472133 569538977 /nfs/dbraw/zinc/53/89/77/569538977.db2.gz DUSSETHQELSSKC-UHFFFAOYSA-N 0 0 425.535 3.881 50 0 IHAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000009478556 569539361 /nfs/dbraw/zinc/53/93/61/569539361.db2.gz NSTCUGIFKPNOOB-KRWDZBQOSA-N 0 0 427.555 3.554 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000009487784 569539770 /nfs/dbraw/zinc/53/97/70/569539770.db2.gz GILKAXPPISVCGK-OKYOBFRVSA-N 0 0 446.400 3.680 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC000009488047 569539811 /nfs/dbraw/zinc/53/98/11/569539811.db2.gz JGCMIQVFRZRTDQ-FQEVSTJZSA-N 0 0 440.540 3.725 50 0 IHAARN CCOC(=O)C(Sc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3)=C(C)O ZINC000009487880 569539818 /nfs/dbraw/zinc/53/98/18/569539818.db2.gz DQYSRQZLDZRNDJ-CYBMUJFWSA-N 0 0 426.585 3.877 50 0 IHAARN CCOC(=O)C(Sc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3)=C(C)O ZINC000009487881 569539859 /nfs/dbraw/zinc/53/98/59/569539859.db2.gz DQYSRQZLDZRNDJ-ZDUSSCGKSA-N 0 0 426.585 3.877 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1Cl ZINC000009490034 569540133 /nfs/dbraw/zinc/54/01/33/569540133.db2.gz FAEYYQGMYIGMJL-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)CC1 ZINC000009490680 569540245 /nfs/dbraw/zinc/54/02/45/569540245.db2.gz HCFMGMPHVORIOA-UHFFFAOYSA-N 0 0 446.429 3.830 50 0 IHAARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000009491478 569540413 /nfs/dbraw/zinc/54/04/13/569540413.db2.gz ZYLYQTQUFJDDRW-QGZVFWFLSA-N 0 0 434.521 3.963 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000009491797 569540426 /nfs/dbraw/zinc/54/04/26/569540426.db2.gz LEABFRTXLWVJQQ-UHFFFAOYSA-N 0 0 437.327 3.851 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCc2ccccc21 ZINC000009492102 569540489 /nfs/dbraw/zinc/54/04/89/569540489.db2.gz RPDRHCAUZULWOV-IBGZPJMESA-N 0 0 438.528 3.945 50 0 IHAARN Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009494283 569540874 /nfs/dbraw/zinc/54/08/74/569540874.db2.gz TXFPJZVTOQRBEJ-HNNXBMFYSA-N 0 0 432.929 3.928 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)n1nnc(-c2cccc(OC)c2)n1 ZINC000009500403 569541488 /nfs/dbraw/zinc/54/14/88/569541488.db2.gz AOBRELRIVCVRHT-QFIPXVFZSA-N 0 0 429.480 3.976 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1Cc1ccccc1 ZINC000009500814 569541587 /nfs/dbraw/zinc/54/15/87/569541587.db2.gz NRUNJCRAUNTRQX-UHFFFAOYSA-N 0 0 439.932 3.600 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NCCc1ccc(F)cc1 ZINC000009508078 569542175 /nfs/dbraw/zinc/54/21/75/569542175.db2.gz SPLQCXCAOWYLJB-KRWDZBQOSA-N 0 0 446.573 3.776 50 0 IHAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009508330 569542301 /nfs/dbraw/zinc/54/23/01/569542301.db2.gz WHUOBAVZJUUTCY-UHFFFAOYSA-N 0 0 425.510 3.775 50 0 IHAARN CCCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nc2sc(CC)cc2c1=O ZINC000009508589 569542355 /nfs/dbraw/zinc/54/23/55/569542355.db2.gz AMENOTFOKIAHII-INIZCTEOSA-N 0 0 444.582 3.719 50 0 IHAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009511855 569542857 /nfs/dbraw/zinc/54/28/57/569542857.db2.gz LDMOWVKFRXSQJR-UHFFFAOYSA-N 0 0 446.532 3.695 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000009512970 569543042 /nfs/dbraw/zinc/54/30/42/569543042.db2.gz ROMFYGIUUXZGSQ-INIZCTEOSA-N 0 0 444.586 3.662 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000009513428 569543111 /nfs/dbraw/zinc/54/31/11/569543111.db2.gz NZPFAJOTKNEQSM-ZDUSSCGKSA-N 0 0 440.554 3.592 50 0 IHAARN O=C(C1=C(Cl)CCCC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009513636 569543157 /nfs/dbraw/zinc/54/31/57/569543157.db2.gz TYWVWLDRGSWFAM-UHFFFAOYSA-N 0 0 436.883 3.605 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000009517618 569543701 /nfs/dbraw/zinc/54/37/01/569543701.db2.gz DTXWDAHZLFHISL-UHFFFAOYSA-N 0 0 433.493 3.723 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000009518859 569544173 /nfs/dbraw/zinc/54/41/73/569544173.db2.gz MHSBLARDGGPHOP-LJQANCHMSA-N 0 0 431.536 3.584 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)cc1 ZINC000009521653 569544392 /nfs/dbraw/zinc/54/43/92/569544392.db2.gz GOYAOMQSONBKDX-UHFFFAOYSA-N 0 0 433.537 3.855 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)ccc21 ZINC000009528615 569544686 /nfs/dbraw/zinc/54/46/86/569544686.db2.gz PBJRHFWEDJDNIF-UHFFFAOYSA-N 0 0 431.602 3.808 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1ncc(CO)n1Cc1ccc(F)cc1 ZINC000009529179 569544808 /nfs/dbraw/zinc/54/48/08/569544808.db2.gz UADJVBRZECUXJX-UHFFFAOYSA-N 0 0 435.908 3.956 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1Cl ZINC000009530098 569544985 /nfs/dbraw/zinc/54/49/85/569544985.db2.gz XYKBOWQLAPRADU-SJORKVTESA-N 0 0 435.958 3.581 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccco2)c1 ZINC000009539899 569545667 /nfs/dbraw/zinc/54/56/67/569545667.db2.gz IIPPOBXTGFVENC-UHFFFAOYSA-N 0 0 426.538 3.746 50 0 IHAARN CCCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccccc2c1=O ZINC000009544334 569545973 /nfs/dbraw/zinc/54/59/73/569545973.db2.gz SBYXREQGVOBJGC-UHFFFAOYSA-N 0 0 427.526 3.945 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000009545226 569546066 /nfs/dbraw/zinc/54/60/66/569546066.db2.gz MNUUGTQEPDSDSI-UHFFFAOYSA-N 0 0 438.933 3.521 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000009568960 569547508 /nfs/dbraw/zinc/54/75/08/569547508.db2.gz YZPQFLUXCWUFRZ-UHFFFAOYSA-N 0 0 430.892 3.988 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cc(C)cc(C)c4)n3n2)c1 ZINC000009569079 569547542 /nfs/dbraw/zinc/54/75/42/569547542.db2.gz DIZKMNGDFPGIPI-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN O=c1[nH]c2ccccc2n1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000009576196 569548090 /nfs/dbraw/zinc/54/80/90/569548090.db2.gz FDDNGUINAIWOIB-UHFFFAOYSA-N 0 0 430.302 3.658 50 0 IHAARN COc1cccc(N2C(=O)N[C@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2=O)c1 ZINC000009577009 569548184 /nfs/dbraw/zinc/54/81/84/569548184.db2.gz QBIQDLVNOMMTMH-NRFANRHFSA-N 0 0 449.429 3.942 50 0 IHAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F ZINC000009580343 569548756 /nfs/dbraw/zinc/54/87/56/569548756.db2.gz OQIMVRAALRXDSR-IBGZPJMESA-N 0 0 429.546 3.785 50 0 IHAARN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)n[nH]1)CC2)c1ccco1 ZINC000070638476 569549004 /nfs/dbraw/zinc/54/90/04/569549004.db2.gz VQXWWBAWUMZNSV-UHFFFAOYSA-N 0 0 425.495 3.639 50 0 IHAARN CCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000070638649 569549014 /nfs/dbraw/zinc/54/90/14/569549014.db2.gz PTFUJSPLWGAEOK-UHFFFAOYSA-N 0 0 442.566 3.852 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@H](C)O1 ZINC000009585147 569549477 /nfs/dbraw/zinc/54/94/77/569549477.db2.gz BKCXNDKPVSOVNB-KBPBESRZSA-N 0 0 442.459 3.756 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 ZINC000009585925 569549640 /nfs/dbraw/zinc/54/96/40/569549640.db2.gz RTGWAZIDZBZGDQ-UHFFFAOYSA-N 0 0 428.489 3.919 50 0 IHAARN COc1ccc([C@H]2OC(c3cc(Br)ccc3OC(C)=O)=NN2C(C)=O)cc1 ZINC000009586488 569549683 /nfs/dbraw/zinc/54/96/83/569549683.db2.gz PZOVFBVDNKZYER-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009588957 569549891 /nfs/dbraw/zinc/54/98/91/569549891.db2.gz HVOWYGXPRLGPNU-UHFFFAOYSA-N 0 0 444.487 3.852 50 0 IHAARN CCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000009595445 569550709 /nfs/dbraw/zinc/55/07/09/569550709.db2.gz XYXRPOZRFYHFTN-UHFFFAOYSA-N 0 0 433.556 3.764 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)nc3C)n2)s1 ZINC000009596274 569550839 /nfs/dbraw/zinc/55/08/39/569550839.db2.gz ZTTHYNKZRZDSEP-UHFFFAOYSA-N 0 0 438.538 3.649 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597748 569550967 /nfs/dbraw/zinc/55/09/67/569550967.db2.gz VUIDOEDHKMLRHR-TZIWHRDSSA-N 0 0 426.563 3.962 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000009597741 569550969 /nfs/dbraw/zinc/55/09/69/569550969.db2.gz PMIWOVRBYBZSBJ-LJQANCHMSA-N 0 0 444.534 3.583 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000009598624 569551085 /nfs/dbraw/zinc/55/10/85/569551085.db2.gz QGMHFBXULBNIFS-UHFFFAOYSA-N 0 0 433.533 3.571 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3F)c2=O)cc1 ZINC000009598705 569551097 /nfs/dbraw/zinc/55/10/97/569551097.db2.gz WOQYZERGCNGRFR-UHFFFAOYSA-N 0 0 441.459 3.693 50 0 IHAARN CCCCN(CC)C(=O)Cn1c2sc(C)c(C)c2c(=O)n(CCc2ccccc2)c1=O ZINC000009599054 569551106 /nfs/dbraw/zinc/55/11/06/569551106.db2.gz VIMVFOBRSAMTPQ-UHFFFAOYSA-N 0 0 441.597 3.733 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000009601107 569551539 /nfs/dbraw/zinc/55/15/39/569551539.db2.gz HEJQDZFGWWVFEX-UHFFFAOYSA-N 0 0 441.532 3.715 50 0 IHAARN Cn1c(Oc2ccc(Cl)c(Cl)c2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000009601596 569551670 /nfs/dbraw/zinc/55/16/70/569551670.db2.gz FQFHMHGIWCGCPH-UHFFFAOYSA-N 0 0 449.269 3.720 50 0 biogenic IHAARN CC(C)N(C(=O)Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O)C(C)C ZINC000009603334 569551749 /nfs/dbraw/zinc/55/17/49/569551749.db2.gz RTHXCZNNQOSPJO-UHFFFAOYSA-N 0 0 437.471 3.683 50 0 IHAARN COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2ccc(C)c(C)c2)c1N ZINC000009608680 569552177 /nfs/dbraw/zinc/55/21/77/569552177.db2.gz CKDJMPDVVGGCMT-UHFFFAOYSA-N 0 0 430.306 3.549 50 0 IHAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4cccnc4)c(C)n3n2)c1 ZINC000009609187 569552284 /nfs/dbraw/zinc/55/22/84/569552284.db2.gz CJVNEWPDRUFHTO-UHFFFAOYSA-N 0 0 431.496 3.997 50 0 IHAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009616705 569553276 /nfs/dbraw/zinc/55/32/76/569553276.db2.gz IFJSXJLEZRGAGO-UHFFFAOYSA-N 0 0 435.534 3.826 50 0 IHAARN CC(C)Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccccc1F ZINC000009631670 569553819 /nfs/dbraw/zinc/55/38/19/569553819.db2.gz WFCPLJOXQPURBV-UHFFFAOYSA-N 0 0 441.532 3.858 50 0 IHAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009632705 569554093 /nfs/dbraw/zinc/55/40/93/569554093.db2.gz GCNRODYSZUTXSP-UHFFFAOYSA-N 0 0 448.957 3.895 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009633186 569554163 /nfs/dbraw/zinc/55/41/63/569554163.db2.gz DINCRJVFBJXICZ-UHFFFAOYSA-N 0 0 442.562 3.592 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc(C)c1CC ZINC000009633258 569554233 /nfs/dbraw/zinc/55/42/33/569554233.db2.gz URHCBKPRBVKCRD-UHFFFAOYSA-N 0 0 444.303 3.947 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(C)c3ccccc3CC)c2)on1 ZINC000009638019 569554898 /nfs/dbraw/zinc/55/48/98/569554898.db2.gz VLVPBOHODOVIGJ-UHFFFAOYSA-N 0 0 444.509 3.914 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000009638015 569554906 /nfs/dbraw/zinc/55/49/06/569554906.db2.gz ZUQDIOAWXXHIDZ-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1cc(OC)cc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)c1 ZINC000009638782 569555057 /nfs/dbraw/zinc/55/50/57/569555057.db2.gz OPKVLXQPDAWROV-UHFFFAOYSA-N 0 0 440.460 3.503 50 0 IHAARN Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)o2)cc1 ZINC000009639910 569555252 /nfs/dbraw/zinc/55/52/52/569555252.db2.gz GVPCCHMLEBIROJ-UHFFFAOYSA-N 0 0 441.538 3.618 50 0 IHAARN COc1cc(C)ccc1OCCSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21 ZINC000009641147 569555543 /nfs/dbraw/zinc/55/55/43/569555543.db2.gz IGOQFTLKPFNJIT-UHFFFAOYSA-N 0 0 426.473 3.712 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1Cc1cccs1 ZINC000009643780 569555939 /nfs/dbraw/zinc/55/59/39/569555939.db2.gz TZDXFMYIXAPEJO-GFCCVEGCSA-N 0 0 430.584 3.704 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1Cl ZINC000009662461 569557151 /nfs/dbraw/zinc/55/71/51/569557151.db2.gz BFTKPDRULQLZCD-UHFFFAOYSA-N 0 0 426.922 3.640 50 0 IHAARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664122 569557380 /nfs/dbraw/zinc/55/73/80/569557380.db2.gz LKNLGDURMQKEEO-OAHLLOKOSA-N 0 0 445.591 3.958 50 0 IHAARN CC[C@H](C)[C@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000009665385 569557537 /nfs/dbraw/zinc/55/75/37/569557537.db2.gz JBYQLYUPAYOHQD-AVRDEDQJSA-N 0 0 431.554 3.581 50 0 IHAARN Cc1c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000009666041 569557636 /nfs/dbraw/zinc/55/76/36/569557636.db2.gz CATQESCHKOPXJR-UHFFFAOYSA-N 0 0 434.279 3.587 50 0 IHAARN COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 ZINC000009666102 569557661 /nfs/dbraw/zinc/55/76/61/569557661.db2.gz JVVUIYYWSKJOGV-FQEVSTJZSA-N 0 0 437.279 3.661 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000009668684 569557987 /nfs/dbraw/zinc/55/79/87/569557987.db2.gz HGAYIHPIRDAVBM-FQEVSTJZSA-N 0 0 444.597 3.624 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000009669932 569558160 /nfs/dbraw/zinc/55/81/60/569558160.db2.gz IQAHZRPQJKXQHT-HUUCEWRRSA-N 0 0 443.960 3.711 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000009669987 569558221 /nfs/dbraw/zinc/55/82/21/569558221.db2.gz DUWSVSLEIMWRLI-CYBMUJFWSA-N 0 0 429.567 3.556 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000009671334 569558488 /nfs/dbraw/zinc/55/84/88/569558488.db2.gz PRPNWIXVZRYMME-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN Cc1csc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)cc(=O)n12 ZINC000009671288 569558494 /nfs/dbraw/zinc/55/84/94/569558494.db2.gz BQYRCPLILQALDY-UHFFFAOYSA-N 0 0 439.353 3.636 50 0 IHAARN C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009671811 569558623 /nfs/dbraw/zinc/55/86/23/569558623.db2.gz VWEPHZFBYUPPOI-INIZCTEOSA-N 0 0 427.460 3.648 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1cc(C)n(C2CC2)c1C ZINC000009672257 569558712 /nfs/dbraw/zinc/55/87/12/569558712.db2.gz DGYMOYLFBVWLSN-UHFFFAOYSA-N 0 0 446.598 3.822 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000009672116 569558719 /nfs/dbraw/zinc/55/87/19/569558719.db2.gz FCLUUEHTAHQJIR-UHFFFAOYSA-N 0 0 447.944 3.985 50 0 IHAARN C[C@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@H](C)O1 ZINC000010013974 569577101 /nfs/dbraw/zinc/57/71/01/569577101.db2.gz BLIHUZYNQFKCSS-IUCAKERBSA-N 0 0 445.107 3.567 50 0 IHAARN COc1ccc(-n2nc(C(=O)NCc3cccs3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681864 569560291 /nfs/dbraw/zinc/56/02/91/569560291.db2.gz BUEPTMBBGOJKGG-UHFFFAOYSA-N 0 0 444.516 3.878 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)[C@@H](C)CCc3ccco3)s2)on1 ZINC000009689011 569560898 /nfs/dbraw/zinc/56/08/98/569560898.db2.gz YCBDGMLJJRXRFW-ZDUSSCGKSA-N 0 0 438.527 3.815 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000009690617 569560939 /nfs/dbraw/zinc/56/09/39/569560939.db2.gz ZRCJHWSCGANKKZ-UHFFFAOYSA-N 0 0 446.511 3.841 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)cc1 ZINC000009707903 569561764 /nfs/dbraw/zinc/56/17/64/569561764.db2.gz HGTUBKYZVHPMRD-UHFFFAOYSA-N 0 0 447.520 3.884 50 0 IHAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000009708274 569561901 /nfs/dbraw/zinc/56/19/01/569561901.db2.gz PQJXNQPXZNUNKB-QFIPXVFZSA-N 0 0 433.577 3.717 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Br)c1 ZINC000009710464 569561999 /nfs/dbraw/zinc/56/19/99/569561999.db2.gz ILPSZMCINGLYFU-UHFFFAOYSA-N 0 0 428.290 3.763 50 0 IHAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009712047 569562139 /nfs/dbraw/zinc/56/21/39/569562139.db2.gz LRAXXSCQVBBRQA-UHFFFAOYSA-N 0 0 448.567 3.648 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009714220 569562771 /nfs/dbraw/zinc/56/27/71/569562771.db2.gz MSIRFOVKDOCXTG-MRXNPFEDSA-N 0 0 442.475 3.895 50 0 IHAARN CNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009714849 569562900 /nfs/dbraw/zinc/56/29/00/569562900.db2.gz XWYTWIBERSQJTC-UHFFFAOYSA-N 0 0 449.941 3.814 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 ZINC000009715973 569563135 /nfs/dbraw/zinc/56/31/35/569563135.db2.gz YLRJGBLBORXMLF-UHFFFAOYSA-N 0 0 434.448 3.757 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C ZINC000009715961 569563171 /nfs/dbraw/zinc/56/31/71/569563171.db2.gz CTSUVLDKZDXMCS-UHFFFAOYSA-N 0 0 443.594 3.677 50 0 IHAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000009716330 569563222 /nfs/dbraw/zinc/56/32/22/569563222.db2.gz KGVMNIVOZKYTKF-INIZCTEOSA-N 0 0 425.963 3.606 50 0 IHAARN COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)n2)cc1 ZINC000009722946 569563507 /nfs/dbraw/zinc/56/35/07/569563507.db2.gz XZXHFNRHEYLZFW-XMMPIXPASA-N 0 0 428.448 3.866 50 0 IHAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000009729840 569564335 /nfs/dbraw/zinc/56/43/35/569564335.db2.gz QIPWWGMFDTYGJO-STQMWFEESA-N 0 0 445.472 3.874 50 0 IHAARN COc1cc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000009737403 569564784 /nfs/dbraw/zinc/56/47/84/569564784.db2.gz OPYAGUXWKLEQHT-FQEVSTJZSA-N 0 0 432.476 3.923 50 0 IHAARN COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1 ZINC000009738822 569564903 /nfs/dbraw/zinc/56/49/03/569564903.db2.gz VOIWPAFGIBKHDB-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009740699 569565139 /nfs/dbraw/zinc/56/51/39/569565139.db2.gz UQQNMSRLMSJVRW-GOSISDBHSA-N 0 0 443.905 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000009740505 569565156 /nfs/dbraw/zinc/56/51/56/569565156.db2.gz AESQSBIBEIKFDP-IBGZPJMESA-N 0 0 439.942 3.735 50 0 IHAARN Cc1cccc(-c2nnc(S[C@@H](C(=O)NC(N)=O)c3ccccc3)n2Cc2ccco2)c1 ZINC000009741444 569565249 /nfs/dbraw/zinc/56/52/49/569565249.db2.gz SRTVHQQKUQCCIV-LJQANCHMSA-N 0 0 447.520 3.923 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000009742067 569565362 /nfs/dbraw/zinc/56/53/62/569565362.db2.gz JMVBLDYSOHQYRO-SFHVURJKSA-N 0 0 441.983 3.895 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cccs1 ZINC000009743831 569565547 /nfs/dbraw/zinc/56/55/47/569565547.db2.gz KQQAGVNMYKECCV-FQEVSTJZSA-N 0 0 433.533 3.855 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000009777817 569567149 /nfs/dbraw/zinc/56/71/49/569567149.db2.gz DDAVLUWRVNZVBN-OAHLLOKOSA-N 0 0 442.493 3.733 50 0 IHAARN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000009777814 569567165 /nfs/dbraw/zinc/56/71/65/569567165.db2.gz DDAVLUWRVNZVBN-HNNXBMFYSA-N 0 0 442.493 3.733 50 0 IHAARN COc1ccc(-c2cc3ncnc(Sc4nnnn4C[C@H]4CCCO4)c3s2)cc1 ZINC000009779253 569567370 /nfs/dbraw/zinc/56/73/70/569567370.db2.gz KREZXJCVJYJZQE-CQSZACIVSA-N 0 0 426.527 3.684 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2 ZINC000009782443 569567755 /nfs/dbraw/zinc/56/77/55/569567755.db2.gz WTHCXTHSJQUVHM-UHFFFAOYSA-N 0 0 445.479 3.938 50 0 IHAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009789213 569568038 /nfs/dbraw/zinc/56/80/38/569568038.db2.gz LKCBFUCZKDGNKS-UHFFFAOYSA-N 0 0 449.532 3.959 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009791724 569568265 /nfs/dbraw/zinc/56/82/65/569568265.db2.gz FHRZNAUXNIHLSB-UHFFFAOYSA-N 0 0 430.493 3.645 50 0 IHAARN O=c1c2ccccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1CCCO ZINC000009792667 569568272 /nfs/dbraw/zinc/56/82/72/569568272.db2.gz VUJKIISNLWIOJA-UHFFFAOYSA-N 0 0 428.901 3.775 50 0 IHAARN Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009822670 569569560 /nfs/dbraw/zinc/56/95/60/569569560.db2.gz GADHRXAOVDGZCK-UHFFFAOYSA-N 0 0 425.492 3.601 50 0 IHAARN CCOc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccccc4OC)n3n2)cc1 ZINC000009829094 569569926 /nfs/dbraw/zinc/56/99/26/569569926.db2.gz XTQHCJAOHVWPSS-UHFFFAOYSA-N 0 0 449.536 3.607 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)cc1Cl ZINC000009831225 569570210 /nfs/dbraw/zinc/57/02/10/569570210.db2.gz LWNPLXOMUCEPEQ-SFHVURJKSA-N 0 0 429.929 3.988 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1nn(-c3ccccc3)c(=O)c3ccccc31)CC2 ZINC000009832053 569570271 /nfs/dbraw/zinc/57/02/71/569570271.db2.gz SQRZVAOHQFUBCJ-UHFFFAOYSA-N 0 0 441.487 3.601 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000009833506 569570367 /nfs/dbraw/zinc/57/03/67/569570367.db2.gz ZDKAALZAQLFIOW-CQSZACIVSA-N 0 0 439.541 3.959 50 0 IHAARN CCOc1ccc(N(C(=O)c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833825 569570401 /nfs/dbraw/zinc/57/04/01/569570401.db2.gz XSMGOCSKLVZLKI-KRWDZBQOSA-N 0 0 436.327 3.805 50 0 IHAARN CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1 ZINC000009834861 569570552 /nfs/dbraw/zinc/57/05/52/569570552.db2.gz HXJKCAAMAMXRPF-XMMPIXPASA-N 0 0 441.597 3.734 50 0 IHAARN COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009835140 569570638 /nfs/dbraw/zinc/57/06/38/569570638.db2.gz QKMXMWBMVWJULU-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN Cc1nc2nc(SCC(=O)NCc3ccc(F)cc3)nn2c(C)c1Cc1ccccc1 ZINC000009841243 569570919 /nfs/dbraw/zinc/57/09/19/569570919.db2.gz SQJHOZWFVWLYAY-UHFFFAOYSA-N 0 0 435.528 3.880 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)C1=CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009848423 569571240 /nfs/dbraw/zinc/57/12/40/569571240.db2.gz HLOHKBDHMLTMKL-UHFFFAOYSA-N 0 0 439.306 3.548 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000009857625 569571662 /nfs/dbraw/zinc/57/16/62/569571662.db2.gz BYNMLCZUSRKUJZ-UHFFFAOYSA-N 0 0 436.903 3.612 50 0 IHAARN CNc1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)s1 ZINC000009862010 569571986 /nfs/dbraw/zinc/57/19/86/569571986.db2.gz MWVNWJSAYOOGOL-AWEZNQCLSA-N 0 0 430.555 3.813 50 0 IHAARN CCNC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 ZINC000009872685 569572479 /nfs/dbraw/zinc/57/24/79/569572479.db2.gz DSMOVAWCBZXSOJ-IBGZPJMESA-N 0 0 435.553 3.883 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000009876210 569572615 /nfs/dbraw/zinc/57/26/15/569572615.db2.gz BKJNDPXHPIORGU-HNNXBMFYSA-N 0 0 436.464 3.890 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000009875988 569572634 /nfs/dbraw/zinc/57/26/34/569572634.db2.gz OJXRDZXSQLNPKN-UHFFFAOYSA-N 0 0 447.520 3.685 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000009875949 569572637 /nfs/dbraw/zinc/57/26/37/569572637.db2.gz HYISWQBLFQWRSV-SFHVURJKSA-N 0 0 427.530 3.940 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC000009885476 569572892 /nfs/dbraw/zinc/57/28/92/569572892.db2.gz DSDPXVDQLAXLPP-ZFWWWQNUSA-N 0 0 436.430 3.953 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC000009896658 569573004 /nfs/dbraw/zinc/57/30/04/569573004.db2.gz ZWEIDFGMYSLDBH-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN CCC[C@@H](C(=O)Nc1cc(C)on1)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000009911188 569573210 /nfs/dbraw/zinc/57/32/10/569573210.db2.gz WCJYEESFVYKZJS-HNNXBMFYSA-N 0 0 426.439 3.858 50 0 IHAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000009913695 569573358 /nfs/dbraw/zinc/57/33/58/569573358.db2.gz HFSRILKBEBDPEQ-UHFFFAOYSA-N 0 0 444.534 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Cc1cc2c(nc(SCC(=O)Nc3ccccc3O)n(Cc3ccco3)c2=O)s1 ZINC000009970682 569576200 /nfs/dbraw/zinc/57/62/00/569576200.db2.gz PGHSOMYLDFPWQV-UHFFFAOYSA-N 0 0 427.507 3.844 50 0 IHAARN COc1ccc(NC(=O)C2(N(C(=O)CNC(C)=O)c3ccc(C)cc3)CCCCC2)cc1 ZINC000010013963 569577102 /nfs/dbraw/zinc/57/71/02/569577102.db2.gz KXPFTSVCKBEMAI-UHFFFAOYSA-N 0 0 437.540 3.814 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000010031907 569577311 /nfs/dbraw/zinc/57/73/11/569577311.db2.gz IBCQKJCLIQFHJL-GOSISDBHSA-N 0 0 446.594 3.995 50 0 IHAARN O=S(=O)(c1ccc(SCc2cc(Cl)cc3c2OCOC3)nc1)N1CCCC1 ZINC000010037704 569577461 /nfs/dbraw/zinc/57/74/61/569577461.db2.gz IMCXWZDGJBZXKV-UHFFFAOYSA-N 0 0 426.947 3.678 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc(C)c1C ZINC000010105353 569577886 /nfs/dbraw/zinc/57/78/86/569577886.db2.gz VYYJPSHTLIIMTL-UHFFFAOYSA-N 0 0 435.596 3.635 50 0 IHAARN Cc1ccccc1-c1noc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)n1 ZINC000010200435 569578905 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IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c2)n1 ZINC000071768530 569580748 /nfs/dbraw/zinc/58/07/48/569580748.db2.gz UVIKXMLNMPOXNY-UHFFFAOYSA-N 0 0 442.401 3.829 50 0 IHAARN CCOc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C5CC5)no4)cn3)c2C)c1 ZINC000071768665 569580781 /nfs/dbraw/zinc/58/07/81/569580781.db2.gz APYVNEDXEIUGRM-UHFFFAOYSA-N 0 0 444.495 3.832 50 0 IHAARN COc1ccccc1CNC(=O)c1cnn(-c2ccc(-c3nc(C(C)C)no3)cn2)c1C ZINC000071768678 569580808 /nfs/dbraw/zinc/58/08/08/569580808.db2.gz BJXXDHQPUXURBV-UHFFFAOYSA-N 0 0 432.484 3.688 50 0 IHAARN COc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 ZINC000071768604 569580814 /nfs/dbraw/zinc/58/08/14/569580814.db2.gz YWEGYKKDEIXLGG-UHFFFAOYSA-N 0 0 432.484 3.553 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)ccc3F)C2=O)cc1 ZINC000071768959 569580833 /nfs/dbraw/zinc/58/08/33/569580833.db2.gz OIVYPLZXNVTRFM-UHFFFAOYSA-N 0 0 427.451 3.904 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000010327604 569581004 /nfs/dbraw/zinc/58/10/04/569581004.db2.gz IHVDMJWXONFSRB-UHFFFAOYSA-N 0 0 436.489 3.727 50 0 IHAARN CCN1C(=O)N[C@H](c2cc(Br)ccc2OC)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010353458 569581439 /nfs/dbraw/zinc/58/14/39/569581439.db2.gz SVXQKQIAANFBFE-QGZVFWFLSA-N 0 0 449.305 3.753 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@H]1c1cc2c(c(OC)c1)OCO2 ZINC000010362440 569581497 /nfs/dbraw/zinc/58/14/97/569581497.db2.gz LQSNKGJCOZTNDQ-SFHVURJKSA-N 0 0 446.912 3.960 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000010383288 569581768 /nfs/dbraw/zinc/58/17/68/569581768.db2.gz SORCMEAAHFGJPX-UHFFFAOYSA-N 0 0 444.578 3.607 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)Nc1ccccc1-n1ncc2c1nc[nH]c2=O ZINC000071837492 569582212 /nfs/dbraw/zinc/58/22/12/569582212.db2.gz MKFUREXKPXIWBG-UHFFFAOYSA-N 0 0 427.489 3.993 50 0 IHAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000010470112 569582506 /nfs/dbraw/zinc/58/25/06/569582506.db2.gz MUXATXHXHTWYFA-OAHLLOKOSA-N 0 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ZINC000077198028 569586274 /nfs/dbraw/zinc/58/62/74/569586274.db2.gz CFYSZJFWCLSBGX-UHFFFAOYSA-N 0 0 427.508 3.564 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ncc(C)c(OC)c4C)c3)n2)cc1F ZINC000077200473 569586434 /nfs/dbraw/zinc/58/64/34/569586434.db2.gz HAFADKHMJAJGQZ-UHFFFAOYSA-N 0 0 436.443 3.782 50 0 IHAARN COc1cccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(Cl)cc2Cl)CC3)c1 ZINC000016531284 569586740 /nfs/dbraw/zinc/58/67/40/569586740.db2.gz KHSZXVTZKKELLF-UHFFFAOYSA-N 0 0 444.318 3.875 50 0 IHAARN COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3cc(OC)ccc3OC)C2=O)cc1 ZINC000059377883 569587245 /nfs/dbraw/zinc/58/72/45/569587245.db2.gz UBUGLNAAKCTKKD-WOJGMQOQSA-N 0 0 428.466 3.596 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(C)=O ZINC000036117732 569587821 /nfs/dbraw/zinc/58/78/21/569587821.db2.gz KURPMXXQZLSDHA-VQIMIIECSA-N 0 0 430.570 3.909 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)=O ZINC000036117730 569587855 /nfs/dbraw/zinc/58/78/55/569587855.db2.gz KURPMXXQZLSDHA-LPHOPBHVSA-N 0 0 430.570 3.909 50 0 IHAARN COc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccco3)CC2)c1 ZINC000037524099 569588063 /nfs/dbraw/zinc/58/80/63/569588063.db2.gz XXXYSKBSMBKAFP-UHFFFAOYSA-N 0 0 433.508 3.617 50 0 IHAARN O=C(CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O)Nc1ccc2c(c1)OCO2 ZINC000101880990 569588246 /nfs/dbraw/zinc/58/82/46/569588246.db2.gz KNHQRSRXJSNYAF-UHFFFAOYSA-N 0 0 448.866 3.960 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 ZINC000000630743 193863535 /nfs/dbraw/zinc/86/35/35/193863535.db2.gz YRMLZIZCBRCMOR-UHFFFAOYSA-N 0 0 437.565 3.788 50 0 IHAARN COc1ccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c2)cc1 ZINC000000652805 193873154 /nfs/dbraw/zinc/87/31/54/193873154.db2.gz XBRIPNGKMRKURJ-HXUWFJFHSA-N 0 0 426.366 3.695 50 0 IHAARN CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1 ZINC000009834859 193901396 /nfs/dbraw/zinc/90/13/96/193901396.db2.gz HXJKCAAMAMXRPF-DEOSSOPVSA-N 0 0 441.597 3.734 50 0 IHAARN COc1ccccc1CNc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21 ZINC000009831094 193898209 /nfs/dbraw/zinc/89/82/09/193898209.db2.gz RWCMSAABEFJHCZ-UHFFFAOYSA-N 0 0 427.512 3.954 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1Cl ZINC000009860845 193910879 /nfs/dbraw/zinc/91/08/79/193910879.db2.gz RFXWQTXUVOWKNV-UHFFFAOYSA-N 0 0 434.883 3.683 50 0 IHAARN CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000624829 132227819 /nfs/dbraw/zinc/22/78/19/132227819.db2.gz UOHJTTYUBKMUAQ-UHFFFAOYSA-N 0 0 442.972 3.511 50 0 IHAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009487191 132232133 /nfs/dbraw/zinc/23/21/33/132232133.db2.gz UHYPVKIPAUTKAJ-UHFFFAOYSA-N 0 0 448.542 3.691 50 0 IHAARN O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000009391068 132233934 /nfs/dbraw/zinc/23/39/34/132233934.db2.gz CYQVTXGNEWXDIH-UHFFFAOYSA-N 0 0 442.541 3.930 50 0 IHAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Cl ZINC000000944458 132235994 /nfs/dbraw/zinc/23/59/94/132235994.db2.gz 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COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2Cl)c1 ZINC000003665817 132267356 /nfs/dbraw/zinc/26/73/56/132267356.db2.gz RVPIMCYNTCBPAV-QHCPKHFHSA-N 0 0 437.883 3.862 50 0 IHAARN c1cn2c(cn1)nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004763208 132273650 /nfs/dbraw/zinc/27/36/50/132273650.db2.gz BPTOHTYWLVJMPK-UHFFFAOYSA-N 0 0 429.480 3.748 50 0 IHAARN Cc1ccc(C)c(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000006804175 132279387 /nfs/dbraw/zinc/27/93/87/132279387.db2.gz SIZFHFYOXGTUOV-XZOQPEGZSA-N 0 0 427.614 3.715 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000008614071 132288628 /nfs/dbraw/zinc/28/86/28/132288628.db2.gz ULFDPDSGMBYAAI-UHFFFAOYSA-N 0 0 430.526 3.608 50 0 IHAARN COC(=O)Cc1nc2sc3c(c2c(N2CCN(c4ccccc4F)CC2)n1)CCCC3 ZINC000008814326 132294662 /nfs/dbraw/zinc/29/46/62/132294662.db2.gz NXHQRJDEFQWBHJ-UHFFFAOYSA-N 0 0 440.544 3.751 50 0 IHAARN CN1c2ccccc2C(=O)[C@@H](C(c2cccs2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000008848675 132296201 /nfs/dbraw/zinc/29/62/01/132296201.db2.gz LQPOTKSFVBZUEB-NHCUHLMSSA-N 0 0 444.512 3.783 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 ZINC000008904454 132297413 /nfs/dbraw/zinc/29/74/13/132297413.db2.gz RAAQSCOQDNTLRO-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3cc(C)cc(C)c3)n(C)c2=O)c1 ZINC000009015387 132300845 /nfs/dbraw/zinc/30/08/45/132300845.db2.gz WDIAWVIENKZIBQ-UHFFFAOYSA-N 0 0 443.551 3.720 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211257 132309131 /nfs/dbraw/zinc/30/91/31/132309131.db2.gz LHDZCUGRVPEMDY-NRFANRHFSA-N 0 0 444.583 3.963 50 0 IHAARN C=C1C(N2CCN(c3cccc(C)c3)[C@@H](C)C2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009251789 132310875 /nfs/dbraw/zinc/31/08/75/132310875.db2.gz NNCZWFVTNCNLSS-KRWDZBQOSA-N 0 0 425.554 3.687 50 0 IHAARN Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)c1 ZINC000009282555 132312268 /nfs/dbraw/zinc/31/22/68/132312268.db2.gz BLPZKBFNQVSWOL-UHFFFAOYSA-N 0 0 443.551 3.720 50 0 IHAARN CCOc1ccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(C)cc43)CC2)cc1 ZINC000009405909 132315276 /nfs/dbraw/zinc/31/52/76/132315276.db2.gz SAEMJFXHYPWGQG-UHFFFAOYSA-N 0 0 437.540 3.741 50 0 IHAARN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000009426139 132316669 /nfs/dbraw/zinc/31/66/69/132316669.db2.gz IGFBRXURJMJYAP-UHFFFAOYSA-N 0 0 432.549 3.635 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCCN32)CC1 ZINC000009528758 132320391 /nfs/dbraw/zinc/32/03/91/132320391.db2.gz AGNNMNMILSZSOX-NRFANRHFSA-N 0 0 438.959 3.922 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCCN32)cc1OCC ZINC000009528767 132320414 /nfs/dbraw/zinc/32/04/14/132320414.db2.gz NWJNPVLBUBRZNI-OAQYLSRUSA-N 0 0 437.540 3.768 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528785 132320577 /nfs/dbraw/zinc/32/05/77/132320577.db2.gz DTUGNPCCDPHFSW-OAQYLSRUSA-N 0 0 438.959 3.638 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 ZINC000009529571 132320607 /nfs/dbraw/zinc/32/06/07/132320607.db2.gz RMRTZRKZYYTSJU-UHFFFAOYSA-N 0 0 438.553 3.706 50 0 IHAARN Cc1ccc(N2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)C3=O)C[C@H]2C)cc1 ZINC000009561606 132321596 /nfs/dbraw/zinc/32/15/96/132321596.db2.gz WRYGJWDLUKIZEA-LJQANCHMSA-N 0 0 440.975 3.623 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000009573243 132321940 /nfs/dbraw/zinc/32/19/40/132321940.db2.gz BENHVYHJFPPIKG-UHFFFAOYSA-N 0 0 431.540 3.737 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2nccs2)c1 ZINC000009587797 132322370 /nfs/dbraw/zinc/32/23/70/132322370.db2.gz ITTXWHYDXPCYJS-UHFFFAOYSA-N 0 0 436.603 3.662 50 0 IHAARN COc1ccc(NC(=O)C[C@@H](C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000009849588 132330078 /nfs/dbraw/zinc/33/00/78/132330078.db2.gz VLWBVHFZQKMXMP-QGZVFWFLSA-N 0 0 443.519 3.547 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1csc(-c2cccs2)n1 ZINC000009862977 132330345 /nfs/dbraw/zinc/33/03/45/132330345.db2.gz UASFQHYPBVSJKK-UHFFFAOYSA-N 0 0 428.583 3.779 50 0 IHAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000010057055 132334284 /nfs/dbraw/zinc/33/42/84/132334284.db2.gz LXRMDUKHIOPOOW-UHFFFAOYSA-N 0 0 449.382 3.603 50 0 IHAARN CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1 ZINC000010076156 132334539 /nfs/dbraw/zinc/33/45/39/132334539.db2.gz SFFVFDRIELVHKI-MRXNPFEDSA-N 0 0 428.920 3.630 50 0 IHAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000010232776 132335124 /nfs/dbraw/zinc/33/51/24/132335124.db2.gz GMRWUCAWPHRAKG-UHFFFAOYSA-N 0 0 425.872 3.729 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cc2csc3nc(-c4ccccc4)cn23)CC1 ZINC000010740837 132336336 /nfs/dbraw/zinc/33/63/36/132336336.db2.gz LGIJJUCSVTZZRD-UHFFFAOYSA-N 0 0 432.549 3.963 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c3c(C)noc3n2)s1 ZINC000010720003 132336353 /nfs/dbraw/zinc/33/63/53/132336353.db2.gz LONMMCXVIUKOKF-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000010742313 132336550 /nfs/dbraw/zinc/33/65/50/132336550.db2.gz RXDOEYAJPIIHBZ-SFHVURJKSA-N 0 0 429.923 3.680 50 0 IHAARN Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1F ZINC000010899828 132336666 /nfs/dbraw/zinc/33/66/66/132336666.db2.gz YXQPIXNFTICXIV-UHFFFAOYSA-N 0 0 434.515 3.943 50 0 IHAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)c(C)c1C ZINC000011027660 132337069 /nfs/dbraw/zinc/33/70/69/132337069.db2.gz UVCJRGWVRMBZHU-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000011653250 132338388 /nfs/dbraw/zinc/33/83/88/132338388.db2.gz XWFJFIITYRLFRN-KRWDZBQOSA-N 0 0 444.528 3.735 50 0 IHAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000013012253 132342440 /nfs/dbraw/zinc/34/24/40/132342440.db2.gz UYOVVLAHVHUVPQ-KRWDZBQOSA-N 0 0 436.537 3.790 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)N2CCCCC2)c(C)c1 ZINC000013018519 132342596 /nfs/dbraw/zinc/34/25/96/132342596.db2.gz MUAPDGWQKXGUQU-XXBNENTESA-N 0 0 448.567 3.860 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 ZINC000013663861 132352762 /nfs/dbraw/zinc/35/27/62/132352762.db2.gz FTUAFKXEEVZXAM-UHFFFAOYSA-N 0 0 434.974 3.678 50 0 IHAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000014188964 132356606 /nfs/dbraw/zinc/35/66/06/132356606.db2.gz ANNIROUYXXABDC-UHFFFAOYSA-N 0 0 432.490 3.661 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)Nc1ccccc1)OCO2 ZINC000012640559 518292854 /nfs/dbraw/zinc/29/28/54/518292854.db2.gz JYJXKWBUZZJVRM-UHFFFAOYSA-N 0 0 431.448 3.921 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nc(C3CC3)n(-c3ccccc3)n1)OCO2 ZINC000012814104 518293830 /nfs/dbraw/zinc/29/38/30/518293830.db2.gz RWDFVQQJDHLPIH-UHFFFAOYSA-N 0 0 436.493 3.807 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)cc1 ZINC000021053333 518358997 /nfs/dbraw/zinc/35/89/97/518358997.db2.gz ARKMBHAVGCIJPO-UHFFFAOYSA-N 0 0 441.491 3.620 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21 ZINC000248262447 518592981 /nfs/dbraw/zinc/59/29/81/518592981.db2.gz MVBFBZGUDXDXJB-ZRNYENFQSA-N 0 0 435.911 3.834 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1 ZINC000012850044 518841440 /nfs/dbraw/zinc/84/14/40/518841440.db2.gz JYCYCEFNGVSYIT-UHFFFAOYSA-N 0 0 432.546 3.504 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000012693892 518841642 /nfs/dbraw/zinc/84/16/42/518841642.db2.gz NWOKUHHXIPWEMQ-UHFFFAOYSA-N 0 0 431.514 3.727 50 0 IHAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000012260113 518842813 /nfs/dbraw/zinc/84/28/13/518842813.db2.gz PBTYJUFDRWNJMM-UHFFFAOYSA-N 0 0 431.514 3.826 50 0 IHAARN C=Cc1ccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1 ZINC000020893759 519318801 /nfs/dbraw/zinc/31/88/01/519318801.db2.gz JGWGRZVMIIDVGN-UHFFFAOYSA-N 0 0 435.549 3.695 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000012324460 519391960 /nfs/dbraw/zinc/39/19/60/519391960.db2.gz PJBPPTMXVFKSRD-FQEVSTJZSA-N 0 0 447.564 3.943 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 ZINC000012325139 519392351 /nfs/dbraw/zinc/39/23/51/519392351.db2.gz SLNYEBCANCBHBX-FQEVSTJZSA-N 0 0 447.564 3.943 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000018747078 519482138 /nfs/dbraw/zinc/48/21/38/519482138.db2.gz IQMPCBQQVUSCDH-FQEVSTJZSA-N 0 0 444.495 3.513 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000021871971 519633448 /nfs/dbraw/zinc/63/34/48/519633448.db2.gz XKHFAOMEIAEHSV-INIZCTEOSA-N 0 0 428.554 3.910 50 0 IHAARN CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 ZINC000020530100 519636051 /nfs/dbraw/zinc/63/60/51/519636051.db2.gz BNCUNIHDAJVICL-NSHDSACASA-N 0 0 430.404 3.520 50 0 IHAARN CC(C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccccc1Br ZINC000035770163 519655475 /nfs/dbraw/zinc/65/54/75/519655475.db2.gz BHUHASKGCODDIZ-UHFFFAOYSA-N 0 0 426.332 3.838 50 0 IHAARN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012911619 519657186 /nfs/dbraw/zinc/65/71/86/519657186.db2.gz SJIQVQMAIQCYDL-UHFFFAOYSA-N 0 0 436.552 3.790 50 0 IHAARN CC(C)NC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)CC1 ZINC000033277192 519701160 /nfs/dbraw/zinc/70/11/60/519701160.db2.gz CGLAXWLLDGVAGD-UHFFFAOYSA-N 0 0 447.992 3.602 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3F)n2)ccc1C ZINC000016652079 519702871 /nfs/dbraw/zinc/70/28/71/519702871.db2.gz NHWUSIIAACGTJL-CYBMUJFWSA-N 0 0 426.423 3.655 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)cc1 ZINC000035537414 519708814 /nfs/dbraw/zinc/70/88/14/519708814.db2.gz ZTRURAXCJMVCTE-UHFFFAOYSA-N 0 0 438.459 3.619 50 0 IHAARN CC(C)NC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042001 519716517 /nfs/dbraw/zinc/71/65/17/519716517.db2.gz 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CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000012910269 519733748 /nfs/dbraw/zinc/73/37/48/519733748.db2.gz HYCHDFPCUFTVGD-FQEVSTJZSA-N 0 0 444.553 3.512 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 ZINC000016992207 519741249 /nfs/dbraw/zinc/74/12/49/519741249.db2.gz HGKSQVPAOOYPGV-UHFFFAOYSA-N 0 0 440.500 3.513 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2ccccc2C(=O)NCC(=O)C(C)(C)C)c1 ZINC000012934381 519741955 /nfs/dbraw/zinc/74/19/55/519741955.db2.gz SREAIVMWQIFRKO-UHFFFAOYSA-N 0 0 441.553 3.721 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)c1 ZINC000012769359 519743910 /nfs/dbraw/zinc/74/39/10/519743910.db2.gz YSNHMFVXVWSMCV-GOSISDBHSA-N 0 0 432.318 3.801 50 0 IHAARN CC(C)COC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000032986879 519751205 /nfs/dbraw/zinc/75/12/05/519751205.db2.gz XIQZEQIBBATAQM-QGZVFWFLSA-N 0 0 428.432 3.921 50 0 IHAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012126681 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CCOc1ccccc1CNC(=O)c1cc2cc(S(=O)(=O)N(CC)CC)ccc2n1C ZINC000035561087 521499099 /nfs/dbraw/zinc/49/90/99/521499099.db2.gz UBGXZGWOSDEXJK-UHFFFAOYSA-N 0 0 443.569 3.538 50 0 IHAARN CCN1C(=O)C[C@@](CC(=O)N(C)Cc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O ZINC000012164721 521523622 /nfs/dbraw/zinc/52/36/22/521523622.db2.gz TWTKUKVDTCAUGX-SANMLTNESA-N 0 0 445.519 3.715 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)CCN(Cc1ccccc1)C2 ZINC000035457123 521538858 /nfs/dbraw/zinc/53/88/58/521538858.db2.gz JLVZCLKUEJBCBM-UHFFFAOYSA-N 0 0 430.552 3.701 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)CCN(Cc1ccccc1)C2 ZINC000035457078 521539119 /nfs/dbraw/zinc/53/91/19/521539119.db2.gz YBIKJXPEIHHXCH-UHFFFAOYSA-N 0 0 434.515 3.532 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000035925388 521541980 /nfs/dbraw/zinc/54/19/80/521541980.db2.gz LWUKKMLRKASKJG-UHFFFAOYSA-N 0 0 426.524 3.730 50 0 IHAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012447256 521595431 /nfs/dbraw/zinc/59/54/31/521595431.db2.gz QYSBLHSPBOEQNM-HNNXBMFYSA-N 0 0 448.951 3.879 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1C ZINC000012598900 521612892 /nfs/dbraw/zinc/61/28/92/521612892.db2.gz ZCFCBCYZFBJKFN-UHFFFAOYSA-N 0 0 433.559 3.581 50 0 IHAARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020893392 521629228 /nfs/dbraw/zinc/62/92/28/521629228.db2.gz VUTFHFLEEBCBNC-UHFFFAOYSA-N 0 0 439.516 3.566 50 0 IHAARN CCOC(CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(OC)c1)S2)OCC ZINC000020734358 521632174 /nfs/dbraw/zinc/63/21/74/521632174.db2.gz BKGDFFKSUVHHIB-UDWIEESQSA-N 0 0 442.537 3.909 50 0 IHAARN CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc2c1=O ZINC000012567569 521633009 /nfs/dbraw/zinc/63/30/09/521633009.db2.gz DFLJKOZNNMUMBZ-OAHLLOKOSA-N 0 0 436.537 3.663 50 0 IHAARN CCC(CC)c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)s1 ZINC000012852034 521635835 /nfs/dbraw/zinc/63/58/35/521635835.db2.gz BOPGZDMOYNXFAM-QGZVFWFLSA-N 0 0 436.603 3.932 50 0 IHAARN CCCn1c2nnc(CCC(=O)Nc3ccc(F)c(Cl)c3)n2c2ccsc2c1=O ZINC000035528649 521641299 /nfs/dbraw/zinc/64/12/99/521641299.db2.gz CJJJFUCHNRPSDG-UHFFFAOYSA-N 0 0 433.896 3.880 50 0 IHAARN CCCn1c2nnc(SCc3ccc(N4CCCC4=O)cc3)n2c2ccsc2c1=O ZINC000035529167 521642214 /nfs/dbraw/zinc/64/22/14/521642214.db2.gz VTUIPFHLRLTDFX-UHFFFAOYSA-N 0 0 439.566 3.935 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000009661549 521655987 /nfs/dbraw/zinc/65/59/87/521655987.db2.gz WACAIYMWSUUAMH-UHFFFAOYSA-N 0 0 429.480 3.760 50 0 IHAARN CCC1(CC)C[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1 ZINC000014533312 521691192 /nfs/dbraw/zinc/69/11/92/521691192.db2.gz PRDJSJLRXBRJPD-HXUWFJFHSA-N 0 0 437.588 3.575 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035960679 521739038 /nfs/dbraw/zinc/73/90/38/521739038.db2.gz AZMZBGYBAGRRMX-FQEVSTJZSA-N 0 0 428.920 3.688 50 0 IHAARN CC[C@@H](C(=O)NCc1ccccc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563713 521850992 /nfs/dbraw/zinc/85/09/92/521850992.db2.gz XSNHELZEXSVISS-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000021881991 521867380 /nfs/dbraw/zinc/86/73/80/521867380.db2.gz CXZLNKBRFUSOFD-UHFFFAOYSA-N 0 0 440.569 3.742 50 0 IHAARN CCc1ccccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000020930751 521878362 /nfs/dbraw/zinc/87/83/62/521878362.db2.gz LNQWOTHRXCJCIF-KGLIPLIRSA-N 0 0 432.567 3.873 50 0 IHAARN CCc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000020930756 521879991 /nfs/dbraw/zinc/87/99/91/521879991.db2.gz LNQWOTHRXCJCIF-KBPBESRZSA-N 0 0 432.567 3.873 50 0 IHAARN CCc1ccccc1OCC(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000035378584 521920036 /nfs/dbraw/zinc/92/00/36/521920036.db2.gz YIZXWQOBULBBLZ-UHFFFAOYSA-N 0 0 433.464 3.755 50 0 IHAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000012927325 521999967 /nfs/dbraw/zinc/99/99/67/521999967.db2.gz KUIWYOHRSOJNHN-UHFFFAOYSA-N 0 0 430.501 3.585 50 0 IHAARN COCCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000012415117 522073074 /nfs/dbraw/zinc/07/30/74/522073074.db2.gz CWRLTNZBABGGOQ-UHFFFAOYSA-N 0 0 425.554 3.782 50 0 IHAARN COC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccc(Cl)cc3)C(C(=O)OC)=C2)cc1 ZINC000001132699 522078000 /nfs/dbraw/zinc/07/80/00/522078000.db2.gz AAKKTXLVHXGJSL-UHFFFAOYSA-N 0 0 441.867 3.844 50 0 IHAARN CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000033412224 522097349 /nfs/dbraw/zinc/09/73/49/522097349.db2.gz WBHMDQHEXBGRDR-GOSISDBHSA-N 0 0 439.599 3.940 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(SCC[S@@](=O)c1ccccc1)n(CC(C)C)c2=O ZINC000032938027 522187074 /nfs/dbraw/zinc/18/70/74/522187074.db2.gz IRPFKKAUDCBNTO-PMERELPUSA-N 0 0 444.578 3.739 50 0 IHAARN CN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000012561124 522234833 /nfs/dbraw/zinc/23/48/33/522234833.db2.gz NSACXRUZYXJQMD-UHFFFAOYSA-N 0 0 439.493 3.534 50 0 IHAARN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)ccc1C ZINC000012801185 522271525 /nfs/dbraw/zinc/27/15/25/522271525.db2.gz CAWXAPVJAPLIMC-UHFFFAOYSA-N 0 0 442.522 3.729 50 0 IHAARN CCc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000036002132 522467701 /nfs/dbraw/zinc/46/77/01/522467701.db2.gz RWOCRPMYYXEMCM-UHFFFAOYSA-N 0 0 426.952 3.726 50 0 IHAARN CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)Nc1ccc(F)cc1 ZINC000020686244 522480331 /nfs/dbraw/zinc/48/03/31/522480331.db2.gz PJCIITRZGBXQBV-UHFFFAOYSA-N 0 0 429.879 3.926 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCn1c(=O)oc2ccccc21 ZINC000022916933 522503618 /nfs/dbraw/zinc/50/36/18/522503618.db2.gz IXVBBASIJGGTRI-UHFFFAOYSA-N 0 0 436.295 3.779 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 ZINC000012606238 522515204 /nfs/dbraw/zinc/51/52/04/522515204.db2.gz BIQQGRVKJPPFGV-QGZVFWFLSA-N 0 0 431.964 3.953 50 0 IHAARN COC[C@H](C)Nc1cnc2c(c1)c(NC(=O)c1ccoc1)c(C(=O)OC)n2CC(C)C ZINC000014745442 522630884 /nfs/dbraw/zinc/63/08/84/522630884.db2.gz VVTDQVXUMFLCGJ-AWEZNQCLSA-N 0 0 428.489 3.771 50 0 IHAARN CNc1snc(C)c1C(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000021761904 522731818 /nfs/dbraw/zinc/73/18/18/522731818.db2.gz XQJWDDWDODRYCH-NRFANRHFSA-N 0 0 449.960 3.800 50 0 IHAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1Cl ZINC000002621344 522796313 /nfs/dbraw/zinc/79/63/13/522796313.db2.gz OLNAIPXIQWITLZ-UHFFFAOYSA-N 0 0 440.949 3.711 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl ZINC000021346211 522811552 /nfs/dbraw/zinc/81/15/52/522811552.db2.gz LVNBBIZPWNQNLQ-QGZVFWFLSA-N 0 0 438.933 3.539 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)c1cccnc1SCc1c(C)noc1C ZINC000021704085 522825355 /nfs/dbraw/zinc/82/53/55/522825355.db2.gz BJFPZVXFTZLQKP-UHFFFAOYSA-N 0 0 443.525 3.935 50 0 IHAARN COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCSc4ccccc43)o2)c1 ZINC000012173306 522839909 /nfs/dbraw/zinc/83/99/09/522839909.db2.gz AMFKBEIRPHDSJO-UHFFFAOYSA-N 0 0 429.523 3.985 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)c1 ZINC000009659222 522857915 /nfs/dbraw/zinc/85/79/15/522857915.db2.gz GVBYZZQRBKFQES-AWEZNQCLSA-N 0 0 437.521 3.933 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000012515514 522869564 /nfs/dbraw/zinc/86/95/64/522869564.db2.gz NSECFHMUIPAZIM-LJQANCHMSA-N 0 0 430.913 3.994 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1cccc(C)c1 ZINC000033125512 522869639 /nfs/dbraw/zinc/86/96/39/522869639.db2.gz GXFCFTKLHQXALB-FQEVSTJZSA-N 0 0 425.916 3.977 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(Cl)ccc1OC ZINC000033124713 522870223 /nfs/dbraw/zinc/87/02/23/522870223.db2.gz XPGNDNGDHWDVON-KRWDZBQOSA-N 0 0 431.851 3.830 50 0 IHAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012767343 522888921 /nfs/dbraw/zinc/88/89/21/522888921.db2.gz CQXVAOLRWIZISK-FQEVSTJZSA-N 0 0 449.473 3.646 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2ccccc2F)c1=O ZINC000021788789 522900514 /nfs/dbraw/zinc/90/05/14/522900514.db2.gz GNGBBPCOVWMDGX-UHFFFAOYSA-N 0 0 435.278 3.747 50 0 IHAARN CN(CCOc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021961915 522909239 /nfs/dbraw/zinc/90/92/39/522909239.db2.gz DRAJPHXXOAUEOU-UHFFFAOYSA-N 0 0 448.541 3.517 50 0 IHAARN COc1cc([C@@H](CC(=O)N2CCCCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561581 522913813 /nfs/dbraw/zinc/91/38/13/522913813.db2.gz PRRDGHRJSGKZJM-HXUWFJFHSA-N 0 0 438.524 3.812 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc2sccn23)ccc1OCc1ccccc1 ZINC000012419483 522961306 /nfs/dbraw/zinc/96/13/06/522961306.db2.gz KQQIAIDCEXGELR-MRXNPFEDSA-N 0 0 433.489 3.818 50 0 IHAARN COC(=O)CCCNc1nc(CN2CCN(c3ccc(C)cc3C)CC2)nc2ccccc21 ZINC000020774706 523031371 /nfs/dbraw/zinc/03/13/71/523031371.db2.gz HATMQXCLCDGZON-UHFFFAOYSA-N 0 0 447.583 3.934 50 0 IHAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 ZINC000020730069 523072384 /nfs/dbraw/zinc/07/23/84/523072384.db2.gz YLDGTXWPZIIWID-HSZRJFAPSA-N 0 0 428.448 3.944 50 0 IHAARN CCn1c(C(=O)N[C@@H](C)CCc2ccccc2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561274 523118711 /nfs/dbraw/zinc/11/87/11/523118711.db2.gz FJSMAVQQPLFDRU-KRWDZBQOSA-N 0 0 427.570 3.663 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000035685345 523153835 /nfs/dbraw/zinc/15/38/35/523153835.db2.gz NKQLZAVRQNFSSV-GOSISDBHSA-N 0 0 434.452 3.941 50 0 IHAARN COc1ccc(-c2csc(SCC(=O)N3CCN(c4ccccn4)CC3)n2)cc1 ZINC000012173038 523170778 /nfs/dbraw/zinc/17/07/78/523170778.db2.gz RCALNFZPQQHDBJ-UHFFFAOYSA-N 0 0 426.567 3.655 50 0 IHAARN COc1ccc(-c2nc(C(=O)NCC(=O)Nc3cccc(C)c3C)cs2)cc1OC ZINC000012902766 523190954 /nfs/dbraw/zinc/19/09/54/523190954.db2.gz DNUXJRZPKAQCJH-UHFFFAOYSA-N 0 0 425.510 3.813 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000012125145 523191736 /nfs/dbraw/zinc/19/17/36/523191736.db2.gz TZVDRCWMPCSWJI-IAGOWNOFSA-N 0 0 441.601 3.659 50 0 IHAARN COCCCN(C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004055 523194271 /nfs/dbraw/zinc/19/42/71/523194271.db2.gz IMDBCJYKTVMWSJ-OAHLLOKOSA-N 0 0 434.920 3.822 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c3ccccc3[nH]c2c1=O ZINC000022627931 523226689 /nfs/dbraw/zinc/22/66/89/523226689.db2.gz LWZOCRMCHUAFBZ-UHFFFAOYSA-N 0 0 438.509 3.646 50 0 IHAARN COCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4C)CC2)n1)CCCC3 ZINC000035848965 523230447 /nfs/dbraw/zinc/23/04/47/523230447.db2.gz ZPOUDCCXCPPACW-UHFFFAOYSA-N 0 0 436.581 3.987 50 0 IHAARN COCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc(F)c4)CC2)n1)CCCC3 ZINC000035848989 523231337 /nfs/dbraw/zinc/23/13/37/523231337.db2.gz KSSZCQQLALUWAO-UHFFFAOYSA-N 0 0 440.544 3.818 50 0 IHAARN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1cccc(F)c1 ZINC000035843570 523237777 /nfs/dbraw/zinc/23/77/77/523237777.db2.gz HPKWMWBFKJXPOP-QHCPKHFHSA-N 0 0 432.561 3.947 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000012736338 523242641 /nfs/dbraw/zinc/24/26/41/523242641.db2.gz WKYNCMQBENMBMD-DEOSSOPVSA-N 0 0 448.567 3.635 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3cccc(Cl)c3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641279 523255085 /nfs/dbraw/zinc/25/50/85/523255085.db2.gz GSKISHGXWWPFMZ-UHFFFAOYSA-N 0 0 449.942 3.813 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3ccccc3F)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021040652 523255804 /nfs/dbraw/zinc/25/58/04/523255804.db2.gz JAHYWMZRSHPJJJ-UHFFFAOYSA-N 0 0 447.514 3.607 50 0 IHAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(C(N)=O)cc4)c3)n2)cc1 ZINC000033012402 523276369 /nfs/dbraw/zinc/27/63/69/523276369.db2.gz BQHBOPJEKWVSEJ-UHFFFAOYSA-N 0 0 444.447 3.529 50 0 IHAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 ZINC000033013012 523292218 /nfs/dbraw/zinc/29/22/18/523292218.db2.gz QMHBZALMIRJWQE-UHFFFAOYSA-N 0 0 444.447 3.675 50 0 IHAARN COCCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873464 523295402 /nfs/dbraw/zinc/29/54/02/523295402.db2.gz MPBMZTAOQVLGGE-IBVKSMDESA-N 0 0 431.536 3.544 50 0 biogenic IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC5CCCCC5)CC4)c32)cc1 ZINC000033084925 523304138 /nfs/dbraw/zinc/30/41/38/523304138.db2.gz UDBXXKSNZFWUDT-UHFFFAOYSA-N 0 0 435.528 3.959 50 0 IHAARN COc1ccc(-n2ncc3c2nc(C)nc3NCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000036006186 523353021 /nfs/dbraw/zinc/35/30/21/523353021.db2.gz ASXVNFREGIOXMF-UHFFFAOYSA-N 0 0 436.903 3.628 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)N(c2nc(C)cs2)c2ccccc2)cc1 ZINC000012907434 523356471 /nfs/dbraw/zinc/35/64/71/523356471.db2.gz JUXJDHYUXFWTDV-UHFFFAOYSA-N 0 0 438.538 3.893 50 0 IHAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(C)cc1C ZINC000021855393 523362539 /nfs/dbraw/zinc/36/25/39/523362539.db2.gz QKLCPCIRSJJTRP-SANMLTNESA-N 0 0 446.551 3.739 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000015747448 523393180 /nfs/dbraw/zinc/39/31/80/523393180.db2.gz QYENUWQIXCQUJS-UEICXMAYSA-N 0 0 435.476 3.680 50 0 IHAARN COc1ccc(/C=C2/NC(=S)N(C(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000012504630 523410250 /nfs/dbraw/zinc/41/02/50/523410250.db2.gz YBQOOTWWBXFKCY-VGOFMYFVSA-N 0 0 437.304 3.909 50 0 IHAARN CN(Cc1ccsc1)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000012742778 523483073 /nfs/dbraw/zinc/48/30/73/523483073.db2.gz VFPOLJPLUKHEBL-UHFFFAOYSA-N 0 0 445.957 3.987 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3ccccc3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000020981610 523489277 /nfs/dbraw/zinc/48/92/77/523489277.db2.gz JHLKNUUENVKGLH-UHFFFAOYSA-N 0 0 433.537 3.700 50 0 IHAARN COc1ccc(Br)cc1[C@@H]1NC(=S)N=C(C)C1C(=O)OCc1ccccc1 ZINC000016266285 523508054 /nfs/dbraw/zinc/50/80/54/523508054.db2.gz FHSZHOCTDMSCST-SFHVURJKSA-N 0 0 447.354 3.994 50 0 IHAARN CC[C@]1(c2cccc(OS(=O)(=O)c3ccc(OC)c(OC)c3)c2)CCCCN(C)C1=O ZINC000012366821 523631038 /nfs/dbraw/zinc/63/10/38/523631038.db2.gz DUXUWLXMSKPGLJ-HSZRJFAPSA-N 0 0 447.553 3.762 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035946501 523651649 /nfs/dbraw/zinc/65/16/49/523651649.db2.gz CZKPWEZKUNTFMY-QHCPKHFHSA-N 0 0 439.531 3.943 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccn1C)C(=O)CC(C)(C)C ZINC000035948786 523652705 /nfs/dbraw/zinc/65/27/05/523652705.db2.gz PPAXWCVFIWPQEF-LJQANCHMSA-N 0 0 444.601 3.676 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)CC(C)(C)C ZINC000035945887 523654648 /nfs/dbraw/zinc/65/46/48/523654648.db2.gz XMWPWMFSRCJKIX-KRWDZBQOSA-N 0 0 431.558 3.930 50 0 IHAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)NC(C)(C)C ZINC000036048132 523656819 /nfs/dbraw/zinc/65/68/19/523656819.db2.gz JMRKWZPSFWJBCV-UHFFFAOYSA-N 0 0 449.555 3.934 50 0 IHAARN CCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000020601600 523686594 /nfs/dbraw/zinc/68/65/94/523686594.db2.gz GQQGWWUNGOYSOO-UHFFFAOYSA-N 0 0 435.593 3.787 50 0 IHAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(Br)cc1Cl ZINC000012884127 523737223 /nfs/dbraw/zinc/73/72/23/523737223.db2.gz RXQNJOULBNLVEM-LJQANCHMSA-N 0 0 448.704 3.650 50 0 IHAARN COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc32)cc1OC ZINC000021486778 523772391 /nfs/dbraw/zinc/77/23/91/523772391.db2.gz BOVHEGHIGIZTQK-UHFFFAOYSA-N 0 0 442.899 3.957 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563715 523786300 /nfs/dbraw/zinc/78/63/00/523786300.db2.gz XSNHELZEXSVISS-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000020978836 523854609 /nfs/dbraw/zinc/85/46/09/523854609.db2.gz YBUJZJVSNDULGN-SFHVURJKSA-N 0 0 428.510 3.673 50 0 IHAARN CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1 ZINC000041253986 523856340 /nfs/dbraw/zinc/85/63/40/523856340.db2.gz KAWPHXINUKRIRI-UHFFFAOYSA-N 0 0 440.341 3.942 50 0 IHAARN CCc1ccc(-c2noc(CCC(=O)N[C@H](c3nccn3C)c3cccc(OC)c3)n2)cc1 ZINC000012737016 523863905 /nfs/dbraw/zinc/86/39/05/523863905.db2.gz IOWFJJFGMYCROJ-QHCPKHFHSA-N 0 0 445.523 3.880 50 0 IHAARN COc1ccc(C2=NN(C(=O)COC(=O)c3cccnc3Cl)[C@H](c3ccco3)C2)cc1 ZINC000022110348 523876340 /nfs/dbraw/zinc/87/63/40/523876340.db2.gz HSKLFVNVXLSVLW-SFHVURJKSA-N 0 0 439.855 3.871 50 0 IHAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC(C)C)cc1 ZINC000035766901 523889791 /nfs/dbraw/zinc/88/97/91/523889791.db2.gz FKXVUBGWBBENDQ-HSZRJFAPSA-N 0 0 442.556 3.523 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000020722735 523893812 /nfs/dbraw/zinc/89/38/12/523893812.db2.gz XWUDCZXMYUUTCY-WMZOPIPTSA-N 0 0 439.343 3.961 50 0 IHAARN COCCNC(=O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000022421079 523896790 /nfs/dbraw/zinc/89/67/90/523896790.db2.gz AFVQBIBMLHPNIE-SDXDJHTJSA-N 0 0 447.510 3.743 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC000020714874 523909699 /nfs/dbraw/zinc/90/96/99/523909699.db2.gz KHTZXSJJPXANJV-PZJWPPBQSA-N 0 0 438.915 3.505 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000035877327 523915196 /nfs/dbraw/zinc/91/51/96/523915196.db2.gz BDJPBEGGXNSQNB-UHFFFAOYSA-N 0 0 435.549 3.542 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)Cc1ccc(F)cc1 ZINC000035766967 523925775 /nfs/dbraw/zinc/92/57/75/523925775.db2.gz LSQNIZCFDSMGQH-PGRDOPGGSA-N 0 0 430.520 3.796 50 0 IHAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccc(OC)cc4)ccc3OCC2=O)cc1 ZINC000035886078 523952675 /nfs/dbraw/zinc/95/26/75/523952675.db2.gz XVOIRUHJKGVXQG-UHFFFAOYSA-N 0 0 446.503 3.920 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 ZINC000021599840 523955078 /nfs/dbraw/zinc/95/50/78/523955078.db2.gz VPUBGALPBWSYIV-UHFFFAOYSA-N 0 0 449.584 3.842 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccnc2Cl)cc1OC ZINC000020745852 523971170 /nfs/dbraw/zinc/97/11/70/523971170.db2.gz CQOOCCKZGPZUFQ-UHFFFAOYSA-N 0 0 439.899 3.977 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[nH]2)cc1 ZINC000021716231 523974465 /nfs/dbraw/zinc/97/44/65/523974465.db2.gz UOEHYSMVAFQPKO-UHFFFAOYSA-N 0 0 435.509 3.823 50 0 IHAARN COc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC ZINC000001128227 523978956 /nfs/dbraw/zinc/97/89/56/523978956.db2.gz NYKHZQZVEDDAKR-UHFFFAOYSA-N 0 0 426.565 3.524 50 0 IHAARN CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012808072 523991158 /nfs/dbraw/zinc/99/11/58/523991158.db2.gz BOWUPNWPWMRZNS-GOSISDBHSA-N 0 0 438.553 3.791 50 0 IHAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000016400942 524001639 /nfs/dbraw/zinc/00/16/39/524001639.db2.gz PEEROKBAFPSORK-ZWKOTPCHSA-N 0 0 445.585 3.625 50 0 IHAARN CC[C@H](C)NC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000012866945 524001663 /nfs/dbraw/zinc/00/16/63/524001663.db2.gz FVCDBYPBZKFMLK-MQNRADLISA-N 0 0 430.508 3.936 50 0 biogenic IHAARN COc1ccc(CN(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2)cc1OC ZINC000020665521 524012371 /nfs/dbraw/zinc/01/23/71/524012371.db2.gz FHFPVJVVGDNXTP-UHFFFAOYSA-N 0 0 429.586 3.543 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1 ZINC000022698398 524012430 /nfs/dbraw/zinc/01/24/30/524012430.db2.gz YOHYRJLQTQRSCG-UHFFFAOYSA-N 0 0 437.569 3.602 50 0 IHAARN CCc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012821690 524021674 /nfs/dbraw/zinc/02/16/74/524021674.db2.gz PUMUUNXSMKGNJA-GOSISDBHSA-N 0 0 436.552 3.792 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036003867 524023027 /nfs/dbraw/zinc/02/30/27/524023027.db2.gz OWJCBTLCGMYAPW-QGZVFWFLSA-N 0 0 434.558 3.645 50 0 IHAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COc1ccccc1C(N)=O ZINC000012822296 524024113 /nfs/dbraw/zinc/02/41/13/524024113.db2.gz CZIMYXBYYVVOAU-UHFFFAOYSA-N 0 0 444.896 3.972 50 0 IHAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000035488874 524025717 /nfs/dbraw/zinc/02/57/17/524025717.db2.gz QCQZDWILBXABDO-XZLZDHACSA-N 0 0 444.462 3.930 50 0 IHAARN COc1ccc(CNC(=O)CSCc2ccc(-c3nc(-c4ccncc4)no3)o2)cc1 ZINC000033262410 524053155 /nfs/dbraw/zinc/05/31/55/524053155.db2.gz HEGXIBANKMCXQN-UHFFFAOYSA-N 0 0 436.493 3.950 50 0 IHAARN CCc1cccc(N2C(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2(=O)=O)c1 ZINC000021657822 524071386 /nfs/dbraw/zinc/07/13/86/524071386.db2.gz OAELMWRLFFYISQ-UHFFFAOYSA-N 0 0 441.553 3.833 50 0 IHAARN CCc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 ZINC000012932719 524071878 /nfs/dbraw/zinc/07/18/78/524071878.db2.gz SEHWIOSXPSLOKO-IBGZPJMESA-N 0 0 431.492 3.764 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000035178769 524105764 /nfs/dbraw/zinc/10/57/64/524105764.db2.gz URHCMVTZJVTWDM-HSZRJFAPSA-N 0 0 429.520 3.869 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054208 524120644 /nfs/dbraw/zinc/12/06/44/524120644.db2.gz YYBXYMFOHFBSGF-VQTJNVASSA-N 0 0 444.959 3.985 50 0 IHAARN C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1sc2ccccc2c1=O ZINC000020467325 524125481 /nfs/dbraw/zinc/12/54/81/524125481.db2.gz KZEFDPZRWHJRKN-AWEZNQCLSA-N 0 0 435.471 3.992 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000012791773 524126833 /nfs/dbraw/zinc/12/68/33/524126833.db2.gz VWGWWUPBXBRBPE-UHFFFAOYSA-N 0 0 436.459 3.800 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)c1 ZINC000021355669 524134743 /nfs/dbraw/zinc/13/47/43/524134743.db2.gz AGTLGIZJOHRPDO-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)C2=O ZINC000012680744 524153679 /nfs/dbraw/zinc/15/36/79/524153679.db2.gz XROQYLQZQPBBHA-QDOIMOTRSA-N 0 0 440.569 3.851 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000036040211 524167119 /nfs/dbraw/zinc/16/71/19/524167119.db2.gz OLQMBSNWSZNTKR-NXWNEQKCSA-N 0 0 444.572 3.707 50 0 IHAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4ccc(F)cc4)c(=O)c32)c1 ZINC000032933742 524172947 /nfs/dbraw/zinc/17/29/47/524172947.db2.gz ZTZUQFPPCMILRB-UHFFFAOYSA-N 0 0 442.834 3.881 50 0 IHAARN C[C@@H]1CCCC[C@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 ZINC000012532216 524179433 /nfs/dbraw/zinc/17/94/33/524179433.db2.gz FZJXJELKEJJQFU-DNVCBOLYSA-N 0 0 433.541 3.946 50 0 IHAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012630412 524200866 /nfs/dbraw/zinc/20/08/66/524200866.db2.gz CAZHCELYDATFIT-UHFFFAOYSA-N 0 0 436.599 3.942 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012564852 524225051 /nfs/dbraw/zinc/22/50/51/524225051.db2.gz XONOVODJMUSHHI-NRFANRHFSA-N 0 0 443.931 3.567 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609759 524240909 /nfs/dbraw/zinc/24/09/09/524240909.db2.gz KICHJXHKAGVZJX-GOSISDBHSA-N 0 0 432.561 3.505 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012767874 524242022 /nfs/dbraw/zinc/24/20/22/524242022.db2.gz XOMQLDQNUHEJBY-PEBXRYMYSA-N 0 0 448.350 3.898 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000033296797 524246987 /nfs/dbraw/zinc/24/69/87/524246987.db2.gz KVLLXFAKZFRULN-LJQANCHMSA-N 0 0 432.524 3.857 50 0 IHAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)N4CCC[C@H](C)C4)c3c2=O)cc1 ZINC000035399717 524263369 /nfs/dbraw/zinc/26/33/69/524263369.db2.gz GXAITXMQAQOZAK-SFHVURJKSA-N 0 0 444.535 3.667 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012567990 524308290 /nfs/dbraw/zinc/30/82/90/524308290.db2.gz YGNPCBRNOXEUBE-UHFFFAOYSA-N 0 0 445.548 3.992 50 0 IHAARN C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC000012768380 524356404 /nfs/dbraw/zinc/35/64/04/524356404.db2.gz DRQFIIDGPBKBLS-KRWDZBQOSA-N 0 0 449.473 3.862 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000035840502 524395370 /nfs/dbraw/zinc/39/53/70/524395370.db2.gz RWNHVTYCERGCSB-BJESRGMDSA-N 0 0 440.455 3.687 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020581583 524412096 /nfs/dbraw/zinc/41/20/96/524412096.db2.gz RPAQFZZWAXYVRF-MOPGFXCFSA-N 0 0 438.471 3.930 50 0 IHAARN Cc1cccc(CNC(=O)C[S@@](=O)Cc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000021109765 524419106 /nfs/dbraw/zinc/41/91/06/524419106.db2.gz WQBYRZSLNPXZLY-WJOKGBTCSA-N 0 0 432.549 3.537 50 0 IHAARN C[C@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2C1 ZINC000035684635 524444819 /nfs/dbraw/zinc/44/48/19/524444819.db2.gz QOKNRYODRLZSJR-DZXKJOIRSA-N 0 0 430.595 3.631 50 0 IHAARN Cc1ccc(CN2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)C[C@@H]2CCO)o1 ZINC000020993824 524458592 /nfs/dbraw/zinc/45/85/92/524458592.db2.gz JCJYGIYSYSRSBR-QFIPXVFZSA-N 0 0 426.536 3.598 50 0 IHAARN COc1ccc(NC(=O)C2CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)c(OC)c1 ZINC000021724438 524471512 /nfs/dbraw/zinc/47/15/12/524471512.db2.gz OXSPCCGVBBIGIO-UHFFFAOYSA-N 0 0 436.512 3.913 50 0 IHAARN COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cl ZINC000012798065 524477692 /nfs/dbraw/zinc/47/76/92/524477692.db2.gz IDKXSXSWYGRIAX-UHFFFAOYSA-N 0 0 438.933 3.591 50 0 IHAARN Cc1ccc(CN2c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3OCC2=O)cc1 ZINC000035377465 524484338 /nfs/dbraw/zinc/48/43/38/524484338.db2.gz YOIBWWBCSHBDDB-UHFFFAOYSA-N 0 0 441.531 3.883 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1Cl ZINC000012704390 524485258 /nfs/dbraw/zinc/48/52/58/524485258.db2.gz JNUAFFSKZHGZNW-MRXNPFEDSA-N 0 0 430.936 3.729 50 0 IHAARN COc1ccc(NC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1Cl ZINC000020574596 524489433 /nfs/dbraw/zinc/48/94/33/524489433.db2.gz ALTMSLDXGSZPEZ-UHFFFAOYSA-N 0 0 442.834 3.881 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 ZINC000035483887 524515367 /nfs/dbraw/zinc/51/53/67/524515367.db2.gz VCQKJJSXVRBIKX-UHFFFAOYSA-N 0 0 430.493 3.783 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)nc2n1 ZINC000035375812 524571209 /nfs/dbraw/zinc/57/12/09/524571209.db2.gz PGIHSDORKWJREP-UHFFFAOYSA-N 0 0 432.509 3.724 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1OC ZINC000022506420 524579758 /nfs/dbraw/zinc/57/97/58/524579758.db2.gz OBCMYSHYWTZVAA-UHFFFAOYSA-N 0 0 425.894 3.541 50 0 IHAARN COc1ccccc1N1C[C@@H]2C[C@@H](c3cnn(-c4ccc(F)cc4)c3)N3CCC[C@@]23C1=O ZINC000012570944 524579911 /nfs/dbraw/zinc/57/99/11/524579911.db2.gz SJRICBAZYGSQOC-PZGSVQSZSA-N 0 0 432.499 3.962 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C ZINC000012767119 524587725 /nfs/dbraw/zinc/58/77/25/524587725.db2.gz NKZCABBPHFCRQK-UHFFFAOYSA-N 0 0 438.915 3.522 50 0 IHAARN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC ZINC000012773821 524589091 /nfs/dbraw/zinc/58/90/91/524589091.db2.gz ZCMMYPSPWLRTJJ-SFHVURJKSA-N 0 0 435.318 3.859 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(Br)o1 ZINC000009516279 524591848 /nfs/dbraw/zinc/59/18/48/524591848.db2.gz KCSYWTWOKROWAS-UHFFFAOYSA-N 0 0 433.258 3.925 50 0 IHAARN Cc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c1C ZINC000020582700 524603869 /nfs/dbraw/zinc/60/38/69/524603869.db2.gz OZQZXIKXWZBNEA-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c(OC)c1 ZINC000015867713 524639628 /nfs/dbraw/zinc/63/96/28/524639628.db2.gz QTJIDFWELPAVOB-UHFFFAOYSA-N 0 0 431.514 3.539 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000015997382 524659491 /nfs/dbraw/zinc/65/94/91/524659491.db2.gz CFGBGAAYZVHDEH-STQMWFEESA-N 0 0 426.897 3.529 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSc3nnc(CC4CCCC4)[nH]3)s2)cc1 ZINC000012908579 524660560 /nfs/dbraw/zinc/66/05/60/524660560.db2.gz GZSGFWMYFIXHMN-UHFFFAOYSA-N 0 0 430.559 3.942 50 0 IHAARN COc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1Cl ZINC000012786585 524676784 /nfs/dbraw/zinc/67/67/84/524676784.db2.gz AUEHHRBQDCNDTO-UHFFFAOYSA-N 0 0 425.798 3.999 50 0 IHAARN Cc1ccc(C[C@]2(CCC(=O)N(C)Cc3ccc(-n4cccn4)cc3)CCC(=O)N2)cc1 ZINC000014888770 524686886 /nfs/dbraw/zinc/68/68/86/524686886.db2.gz LQXDQRIWNKINRH-AREMUKBSSA-N 0 0 430.552 3.811 50 0 IHAARN C[C@@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1ccc(C(F)(F)F)n1 ZINC000020607253 524714361 /nfs/dbraw/zinc/71/43/61/524714361.db2.gz HZXRNYHFTCXPBK-QMMMGPOBSA-N 0 0 439.385 3.935 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(C)C(=O)NC(C)(C)C ZINC000035961202 524750119 /nfs/dbraw/zinc/75/01/19/524750119.db2.gz WQJFMZYQEDXWPX-FQEVSTJZSA-N 0 0 440.519 3.952 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1 ZINC000021656353 524831252 /nfs/dbraw/zinc/83/12/52/524831252.db2.gz VOSJMPRGHOYMIS-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nnc(-c3ccncc3)o2)no1 ZINC000021355727 524856466 /nfs/dbraw/zinc/85/64/66/524856466.db2.gz KFAZEBUJWQSOKG-UHFFFAOYSA-N 0 0 440.460 3.826 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c1 ZINC000021660181 524866205 /nfs/dbraw/zinc/86/62/05/524866205.db2.gz OSUQDKYLJRDKGM-UHFFFAOYSA-N 0 0 434.452 3.683 50 0 IHAARN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000012525830 524867273 /nfs/dbraw/zinc/86/72/73/524867273.db2.gz PTBQMCBFBXDFKU-OKILXGFUSA-N 0 0 442.459 3.756 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000036045282 524897276 /nfs/dbraw/zinc/89/72/76/524897276.db2.gz YONPYYGRRBHOQI-LEWJYISDSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000012760195 524901374 /nfs/dbraw/zinc/90/13/74/524901374.db2.gz GZQBJUXSTPQJNM-ZDUSSCGKSA-N 0 0 441.553 3.691 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036059413 524916492 /nfs/dbraw/zinc/91/64/92/524916492.db2.gz XUDFUQKWTLRLPV-DHIUTWEWSA-N 0 0 436.552 3.881 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000036059406 524916737 /nfs/dbraw/zinc/91/67/37/524916737.db2.gz ZEKZFWJNZZTTCZ-RTWAWAEBSA-N 0 0 440.515 3.711 50 0 IHAARN Cc1cccc2c(=O)[nH]c(COC(=O)c3cc(C4CC4)nc4c3nc3n4CCCCC3)nc12 ZINC000012771446 524924004 /nfs/dbraw/zinc/92/40/04/524924004.db2.gz BXABXQWHSMPMIB-UHFFFAOYSA-N 0 0 443.507 3.937 50 0 IHAARN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013113235 524943844 /nfs/dbraw/zinc/94/38/44/524943844.db2.gz GFJBFXXVXYSZAF-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 ZINC000018410916 524949484 /nfs/dbraw/zinc/94/94/84/524949484.db2.gz HXGCFWPGADJFRW-XMHCIUCPSA-N 0 0 425.872 3.731 50 0 IHAARN COc1ccc(OCCN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022787305 524956861 /nfs/dbraw/zinc/95/68/61/524956861.db2.gz MMTKMFJMTJHDRN-KRWDZBQOSA-N 0 0 426.492 3.642 50 0 IHAARN Cc1cc(I)ccc1NC(=O)CNc1ccccc1N1CCCC1=O ZINC000012555466 525010748 /nfs/dbraw/zinc/01/07/48/525010748.db2.gz PCRHASYLIWFZHP-UHFFFAOYSA-N 0 0 449.292 3.777 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2SC)cc1 ZINC000015391127 525026506 /nfs/dbraw/zinc/02/65/06/525026506.db2.gz MBOXNQGPSQKEPU-INIZCTEOSA-N 0 0 434.583 3.989 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)nc2C ZINC000012228536 525032908 /nfs/dbraw/zinc/03/29/08/525032908.db2.gz YTFBYLHHHZJRTI-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)cc1C ZINC000021721882 525041871 /nfs/dbraw/zinc/04/18/71/525041871.db2.gz PJMMWIXXAVGVKL-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)cc1Br ZINC000012554990 525044866 /nfs/dbraw/zinc/04/48/66/525044866.db2.gz SIKDZBFKVWUNFU-UHFFFAOYSA-N 0 0 432.362 3.665 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1C ZINC000012233175 525092489 /nfs/dbraw/zinc/09/24/89/525092489.db2.gz STHCDVPAPKUXEU-SFHVURJKSA-N 0 0 431.521 3.875 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000012140762 525099231 /nfs/dbraw/zinc/09/92/31/525099231.db2.gz VOSGFSDJHIKXAL-UHFFFAOYSA-N 0 0 443.434 3.985 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)c(Cl)c1 ZINC000033261785 525107436 /nfs/dbraw/zinc/10/74/36/525107436.db2.gz XSFQLLIEDKCTFU-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN Cc1cc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)no1 ZINC000012527449 525154814 /nfs/dbraw/zinc/15/48/14/525154814.db2.gz NXOXFYQMJXTMHJ-UHFFFAOYSA-N 0 0 442.463 3.912 50 0 IHAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCCC3CCCC3)cc2Cl)CC1 ZINC000012750393 525163648 /nfs/dbraw/zinc/16/36/48/525163648.db2.gz SFJQXBGRANIENP-UHFFFAOYSA-N 0 0 443.009 3.843 50 0 IHAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621473 525166284 /nfs/dbraw/zinc/16/62/84/525166284.db2.gz QIWVAKXXLGRKRW-KKSFZXQISA-N 0 0 444.503 3.732 50 0 IHAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033067817 525185316 /nfs/dbraw/zinc/18/53/16/525185316.db2.gz VYGMKXRWHOJOQW-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1CCc1ccccc1 ZINC000021860477 525198983 /nfs/dbraw/zinc/19/89/83/525198983.db2.gz JEVPJJKSZWRWHT-AREMUKBSSA-N 0 0 430.552 3.942 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000012889613 525216630 /nfs/dbraw/zinc/21/66/30/525216630.db2.gz ARWKYLKFZSJBEP-XMMPIXPASA-N 0 0 432.476 3.834 50 0 biogenic IHAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1F ZINC000012764349 525222711 /nfs/dbraw/zinc/22/27/11/525222711.db2.gz FRKDEGFTIOVUFC-CYBMUJFWSA-N 0 0 447.351 3.750 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000012923541 525222838 /nfs/dbraw/zinc/22/28/38/525222838.db2.gz MWFUJNZMLMAYHF-CQSZACIVSA-N 0 0 443.388 3.919 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)cc1 ZINC000015670494 525236254 /nfs/dbraw/zinc/23/62/54/525236254.db2.gz KMFUTDSOYJERAB-IBGZPJMESA-N 0 0 442.479 3.524 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C ZINC000012548565 525241087 /nfs/dbraw/zinc/24/10/87/525241087.db2.gz BBVWOWKIVPTENL-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CCc2cccs2)C3)cc1 ZINC000012245935 525242099 /nfs/dbraw/zinc/24/20/99/525242099.db2.gz CDTTZEHZZYZCQY-GOSISDBHSA-N 0 0 441.574 3.871 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000032987464 525262090 /nfs/dbraw/zinc/26/20/90/525262090.db2.gz ZFDGTEIEXNEYMU-KRWDZBQOSA-N 0 0 438.553 3.753 50 0 IHAARN CS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000012507959 525271210 /nfs/dbraw/zinc/27/12/10/525271210.db2.gz CLSDXLNRPPHZCC-UHFFFAOYSA-N 0 0 447.378 3.929 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273231 525327457 /nfs/dbraw/zinc/32/74/57/525327457.db2.gz GMICVEXTMKXHLN-UHFFFAOYSA-N 0 0 442.566 3.667 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 ZINC000012521276 525333747 /nfs/dbraw/zinc/33/37/47/525333747.db2.gz VLWSNLHDWWXUCK-ACJLOTCBSA-N 0 0 442.459 3.804 50 0 IHAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012773454 525357345 /nfs/dbraw/zinc/35/73/45/525357345.db2.gz XWABUYMHJYNZTM-LLVKDONJSA-N 0 0 439.415 3.983 50 0 IHAARN COc1ccc([C@H](NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc2)cc1 ZINC000012683497 525367767 /nfs/dbraw/zinc/36/77/67/525367767.db2.gz QAJCRUPXVWZPCH-JOCHJYFZSA-N 0 0 433.899 3.908 50 0 IHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1OC ZINC000035948396 525405958 /nfs/dbraw/zinc/40/59/58/525405958.db2.gz PXQAJSKAFVRDIG-GOSISDBHSA-N 0 0 441.553 3.702 50 0 IHAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)ccc1F ZINC000020604205 525426523 /nfs/dbraw/zinc/42/65/23/525426523.db2.gz IQTJWOMSZNFYAT-HXUWFJFHSA-N 0 0 447.509 3.869 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 ZINC000012777943 525448189 /nfs/dbraw/zinc/44/81/89/525448189.db2.gz NBOZSRPSBBGHQV-UHFFFAOYSA-N 0 0 431.539 3.533 50 0 IHAARN COc1ccc2[nH]c(C(=O)NCc3cccc(Br)c3)c(N3CCCC3=O)c2c1 ZINC000021780103 525479223 /nfs/dbraw/zinc/47/92/23/525479223.db2.gz OMKASEBAOWHVJC-UHFFFAOYSA-N 0 0 442.313 3.996 50 0 IHAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000033298755 525485110 /nfs/dbraw/zinc/48/51/10/525485110.db2.gz QZOGWGUNFISFLM-UHFFFAOYSA-N 0 0 433.537 3.561 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012794861 525485763 /nfs/dbraw/zinc/48/57/63/525485763.db2.gz OVOHQEXYOAMONI-FQEVSTJZSA-N 0 0 429.538 3.684 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000002617281 525488239 /nfs/dbraw/zinc/48/82/39/525488239.db2.gz DPUVBNAPSFQTFW-PXLXIMEGSA-N 0 0 441.549 3.583 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 ZINC000021931481 525501468 /nfs/dbraw/zinc/50/14/68/525501468.db2.gz DJFGVKZMPTWQSB-LJQANCHMSA-N 0 0 437.565 3.966 50 0 IHAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 ZINC000016234071 525502364 /nfs/dbraw/zinc/50/23/64/525502364.db2.gz OYXLBXBTMWZMHT-XPAKDJPHSA-N 0 0 427.932 3.853 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000012849147 525511893 /nfs/dbraw/zinc/51/18/93/525511893.db2.gz VMSWANPMVRCYEL-LBPRGKRZSA-N 0 0 426.560 3.610 50 0 IHAARN CSCC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000012557456 525521114 /nfs/dbraw/zinc/52/11/14/525521114.db2.gz WXIDZAJCTGYTRL-HBMCJLEFSA-N 0 0 443.613 3.912 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2oc1-c1ccccc1 ZINC000012796695 525521302 /nfs/dbraw/zinc/52/13/02/525521302.db2.gz SZDBGCALJFGHGH-QZTJIDSGSA-N 0 0 434.536 3.998 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C\c1cnc2ccccc2n1 ZINC000035681425 525527118 /nfs/dbraw/zinc/52/71/18/525527118.db2.gz AFPKCMFZHXIRDC-BENRWUELSA-N 0 0 436.537 3.765 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)C2)cc1C ZINC000021940001 525535370 /nfs/dbraw/zinc/53/53/70/525535370.db2.gz BWYOQKHAGGMCJO-KRWDZBQOSA-N 0 0 441.509 3.650 50 0 IHAARN CSCC[C@@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 ZINC000012544467 525548048 /nfs/dbraw/zinc/54/80/48/525548048.db2.gz VVIMXUNNSXAFLM-GOSISDBHSA-N 0 0 446.573 3.984 50 0 IHAARN CSCC[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012547702 525548827 /nfs/dbraw/zinc/54/88/27/525548827.db2.gz JNRQGCJMVZMPGE-MRXNPFEDSA-N 0 0 426.567 3.612 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000242038597 525557914 /nfs/dbraw/zinc/55/79/14/525557914.db2.gz VMKGZERQGSXEMK-BRWVUGGUSA-N 0 0 442.503 3.619 50 0 IHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851828 525590857 /nfs/dbraw/zinc/59/08/57/525590857.db2.gz DATLZRAUYJOGKE-MVOHMCPASA-N 0 0 449.938 3.696 50 0 IHAARN Cc1ccn2c(=O)nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1 ZINC000016689545 525606985 /nfs/dbraw/zinc/60/69/85/525606985.db2.gz ZUZPFOJRWCYDIL-UHFFFAOYSA-N 0 0 428.823 3.801 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1cccc(C)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535219 525607090 /nfs/dbraw/zinc/60/70/90/525607090.db2.gz BWUCGGYHICYBTM-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1F ZINC000012630382 525612425 /nfs/dbraw/zinc/61/24/25/525612425.db2.gz UBBLZYMVLDDEGJ-FQEVSTJZSA-N 0 0 445.516 3.561 50 0 IHAARN Cc1c(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)sc2nc3n(c(=O)c12)CCCC3 ZINC000020489156 525615423 /nfs/dbraw/zinc/61/54/23/525615423.db2.gz YWQJDAXLFJWOIE-UHFFFAOYSA-N 0 0 441.597 3.818 50 0 IHAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548486 525618515 /nfs/dbraw/zinc/61/85/15/525618515.db2.gz JNMIOQXTGQOHPW-LHSJRXKWSA-N 0 0 442.468 3.794 50 0 IHAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1-c1cccc(C)c1 ZINC000012877173 525661730 /nfs/dbraw/zinc/66/17/30/525661730.db2.gz ZHZQFOHLVTYPPO-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)[C@@H](C)Oc4cccc(C)c4)c3)cc(=O)n2o1 ZINC000035378589 525674068 /nfs/dbraw/zinc/67/40/68/525674068.db2.gz FNVLPLLANTUIHB-QGZVFWFLSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccccc3F)cc(=O)n2o1 ZINC000035448106 525674702 /nfs/dbraw/zinc/67/47/02/525674702.db2.gz ZBYHROSFZVEXQN-UHFFFAOYSA-N 0 0 437.427 3.640 50 0 IHAARN Cc1cc2nc(CSc3ccccc3NC(=O)c3ccc4c(c3)OCO4)cc(=O)n2o1 ZINC000020583246 525675826 /nfs/dbraw/zinc/67/58/26/525675826.db2.gz AEUMKLQDEFTGMY-UHFFFAOYSA-N 0 0 435.461 3.869 50 0 IHAARN C[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012550795 525706339 /nfs/dbraw/zinc/70/63/39/525706339.db2.gz MVAIBKXAZYUAQM-GOSISDBHSA-N 0 0 444.601 3.612 50 0 IHAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012819142 525733625 /nfs/dbraw/zinc/73/36/25/525733625.db2.gz FGGFVORDPFSCGJ-CQSZACIVSA-N 0 0 439.002 3.948 50 0 IHAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCCN4CCOCC4)c3)ncn2)cc1 ZINC000033261038 525737070 /nfs/dbraw/zinc/73/70/70/525737070.db2.gz VWQLZBINAZXNHN-UHFFFAOYSA-N 0 0 431.540 3.648 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000020987105 525765678 /nfs/dbraw/zinc/76/56/78/525765678.db2.gz OOMNSAAIWKACTQ-UHFFFAOYSA-N 0 0 443.891 3.916 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1C ZINC000021478032 525768839 /nfs/dbraw/zinc/76/88/39/525768839.db2.gz ILDDSKVZQMLJPT-JOCHJYFZSA-N 0 0 433.508 3.773 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccco1 ZINC000021851548 525795606 /nfs/dbraw/zinc/79/56/06/525795606.db2.gz UQLPLKDPSWFIKC-DEOSSOPVSA-N 0 0 436.512 3.990 50 0 IHAARN COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)c1 ZINC000012744934 525797712 /nfs/dbraw/zinc/79/77/12/525797712.db2.gz POCNLDJHLSBTQV-HSZRJFAPSA-N 0 0 448.523 3.695 50 0 IHAARN COc1cccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)[C@@H](c3cccc(OC)c3)C2)c1 ZINC000036045747 525808425 /nfs/dbraw/zinc/80/84/25/525808425.db2.gz QMWWAFQBZMHCRD-JWQCQUIFSA-N 0 0 444.531 3.876 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000035962176 525857615 /nfs/dbraw/zinc/85/76/15/525857615.db2.gz QUQVEDADFMNNQY-NRFANRHFSA-N 0 0 425.916 3.895 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962504 525858858 /nfs/dbraw/zinc/85/88/58/525858858.db2.gz XUUNKTGUFVAIPO-OAQYLSRUSA-N 0 0 447.491 3.747 50 0 IHAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5cccs5)CC4)nn32)cc1 ZINC000033010175 525861449 /nfs/dbraw/zinc/86/14/49/525861449.db2.gz NTBPMEVTFBKMAI-UHFFFAOYSA-N 0 0 432.553 3.694 50 0 IHAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(C=Cc4ccccn4)c3)C2=O)cc1 ZINC000032976407 525872337 /nfs/dbraw/zinc/87/23/37/525872337.db2.gz SMHSUPNBBNKCDL-LECAJKHHSA-N 0 0 440.503 3.966 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4C(C)C)CC3)n2)cc1 ZINC000012757539 525877047 /nfs/dbraw/zinc/87/70/47/525877047.db2.gz PXSJEHASJXQOLZ-UHFFFAOYSA-N 0 0 434.540 3.892 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000012759201 525878572 /nfs/dbraw/zinc/87/85/72/525878572.db2.gz XJEIPJHVTABIJG-UHFFFAOYSA-N 0 0 441.329 3.766 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000012268382 525893982 /nfs/dbraw/zinc/89/39/82/525893982.db2.gz BSNLIUOSFZJKKE-NRFANRHFSA-N 0 0 425.828 3.691 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 ZINC000012140743 525894328 /nfs/dbraw/zinc/89/43/28/525894328.db2.gz YSQZEUONMKIOAG-UHFFFAOYSA-N 0 0 443.434 3.985 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1 ZINC000033302472 525895995 /nfs/dbraw/zinc/89/59/95/525895995.db2.gz NNGBNKHCNHEYIE-QGZVFWFLSA-N 0 0 448.548 3.881 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N4CCC(CO)CC4)c(C)c32)c1 ZINC000015002997 525903720 /nfs/dbraw/zinc/90/37/20/525903720.db2.gz DVEFKOAZCSUDIC-UHFFFAOYSA-N 0 0 440.569 3.507 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000012545681 525920536 /nfs/dbraw/zinc/92/05/36/525920536.db2.gz JIJYWDANUMOZAZ-UHFFFAOYSA-N 0 0 445.548 3.918 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4cc5ccccc5[nH]4)CC3)ccc2=O)cc1C ZINC000035426610 525928541 /nfs/dbraw/zinc/92/85/41/525928541.db2.gz NZIPUWPHVWZELJ-UHFFFAOYSA-N 0 0 441.535 3.683 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1ccc(C)cc1)nc2C ZINC000020563657 525934698 /nfs/dbraw/zinc/93/46/98/525934698.db2.gz CROBNTYHOPBISJ-LJQANCHMSA-N 0 0 429.524 3.693 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCc1ccc(Cl)cc1)nc2C ZINC000020563196 525936559 /nfs/dbraw/zinc/93/65/59/525936559.db2.gz LETBHQTZTGKIIX-MRXNPFEDSA-N 0 0 435.915 3.730 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCCc3ccco3)CC1)nnc2C ZINC000020564245 525938021 /nfs/dbraw/zinc/93/80/21/525938021.db2.gz DPAUPLNMQCMAFC-UHFFFAOYSA-N 0 0 444.539 3.601 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)COc4ccccc4C)c3)cc2=O)s1 ZINC000041077408 525941916 /nfs/dbraw/zinc/94/19/16/525941916.db2.gz VLCFQVLISVJXIQ-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000021725158 525945714 /nfs/dbraw/zinc/94/57/14/525945714.db2.gz PJGYJAQVDXQHPY-KRWDZBQOSA-N 0 0 440.931 3.892 50 0 IHAARN Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1 ZINC000012776069 525949531 /nfs/dbraw/zinc/94/95/31/525949531.db2.gz RYBIXLMCIVBNPC-FNORWQNLSA-N 0 0 445.393 3.910 50 0 IHAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccccc2-n2cccn2)O3)n1 ZINC000012129301 525984021 /nfs/dbraw/zinc/98/40/21/525984021.db2.gz KTXIOWFJIBDJGR-FQEVSTJZSA-N 0 0 425.492 3.680 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866817 525995448 /nfs/dbraw/zinc/99/54/48/525995448.db2.gz AMUKGFDICWNMJB-UHFFFAOYSA-N 0 0 434.927 3.833 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000012801542 526008330 /nfs/dbraw/zinc/00/83/30/526008330.db2.gz CGTYOWHMUUJKBT-SNVBAGLBSA-N 0 0 431.518 3.699 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)NCC(F)(F)F ZINC000017897649 526013475 /nfs/dbraw/zinc/01/34/75/526013475.db2.gz YGCNPAYBYRFKNA-LLVKDONJSA-N 0 0 433.887 3.680 50 0 IHAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000015595273 526091331 /nfs/dbraw/zinc/09/13/31/526091331.db2.gz BJOHTAANYOELSJ-CYBMUJFWSA-N 0 0 425.348 3.533 50 0 IHAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012920171 526109567 /nfs/dbraw/zinc/10/95/67/526109567.db2.gz KCCHQVJXJCRWIM-UHFFFAOYSA-N 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Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCN(c4ccccn4)CC3)cc12 ZINC000012391292 526149434 /nfs/dbraw/zinc/14/94/34/526149434.db2.gz OKFSQPOYQUFFPU-UHFFFAOYSA-N 0 0 435.524 3.565 50 0 IHAARN Cc1ccc2c(c1)CCN1C(=O)CN(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)C[C@@H]21 ZINC000022667630 526150723 /nfs/dbraw/zinc/15/07/23/526150723.db2.gz NBJPFOZWMBDCLH-LBPRGKRZSA-N 0 0 425.357 3.664 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cnn(-c4cccc(F)c4)c3-n3cccc3)CC2)c1 ZINC000020980359 526152839 /nfs/dbraw/zinc/15/28/39/526152839.db2.gz HWOLMTSRJNJWFG-UHFFFAOYSA-N 0 0 445.498 3.773 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012873958 526169250 /nfs/dbraw/zinc/16/92/50/526169250.db2.gz WURSGQACBNBUGC-HNNXBMFYSA-N 0 0 428.334 3.970 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000012516020 526169724 /nfs/dbraw/zinc/16/97/24/526169724.db2.gz HPXTUVAHJUESSD-UHFFFAOYSA-N 0 0 432.362 3.665 50 0 IHAARN COc1cccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000035448669 526172022 /nfs/dbraw/zinc/17/20/22/526172022.db2.gz VIAORPFSTHKRPI-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(C)cc4C)c3c2=O)c1 ZINC000022768161 526184643 /nfs/dbraw/zinc/18/46/43/526184643.db2.gz XBHOYPIDNSCFAA-UHFFFAOYSA-N 0 0 443.507 3.724 50 0 IHAARN Cc1cc(C(=O)COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C ZINC000012426263 526209791 /nfs/dbraw/zinc/20/97/91/526209791.db2.gz AGVACXOXDLNUIW-KRWDZBQOSA-N 0 0 440.443 3.890 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(F)cc1F ZINC000035535078 526215431 /nfs/dbraw/zinc/21/54/31/526215431.db2.gz KOFJFYZWLNQDGH-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN Cc1ccc2nc(CN3CCC(Oc4cccnc4)CC3)nc(N3CCSCC3)c2c1 ZINC000012248016 526246347 /nfs/dbraw/zinc/24/63/47/526246347.db2.gz ALRMRISYQTZNKH-UHFFFAOYSA-N 0 0 435.597 3.930 50 0 IHAARN Cc1ccc(C(C)C)c(OCc2nc(C(=O)NCCNC(=O)c3ccco3)cs2)c1 ZINC000034905996 526248632 /nfs/dbraw/zinc/24/86/32/526248632.db2.gz UKHSYQFGPYKAJC-UHFFFAOYSA-N 0 0 427.526 3.907 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2c1 ZINC000033068129 526249951 /nfs/dbraw/zinc/24/99/51/526249951.db2.gz BCGQOIZQPYGVFQ-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@@H]3CCCO3)CC(C)C)no2)c1 ZINC000036015595 526255660 /nfs/dbraw/zinc/25/56/60/526255660.db2.gz RJQUYCRGMYGVKT-IBGZPJMESA-N 0 0 427.545 3.742 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000012872810 526305158 /nfs/dbraw/zinc/30/51/58/526305158.db2.gz IXYSYNOAYOSWSS-UHFFFAOYSA-N 0 0 438.899 3.772 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000012757719 526305254 /nfs/dbraw/zinc/30/52/54/526305254.db2.gz WPBHDJRQZNONKL-GOSISDBHSA-N 0 0 438.553 3.846 50 0 IHAARN O=C(C1CCN(c2ncc(-c3ccccc3)cn2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000035513328 526307945 /nfs/dbraw/zinc/30/79/45/526307945.db2.gz GJAWXHXXAPJNLR-UHFFFAOYSA-N 0 0 441.579 3.704 50 0 IHAARN Cc1csc(CNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n1 ZINC000012744410 526346639 /nfs/dbraw/zinc/34/66/39/526346639.db2.gz RKVRPBDBCJSTPA-UHFFFAOYSA-N 0 0 433.581 3.930 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(C(F)(F)F)cc1 ZINC000012443180 526359925 /nfs/dbraw/zinc/35/99/25/526359925.db2.gz RAYKKHNIRDWXJD-UHFFFAOYSA-N 0 0 427.386 3.619 50 0 IHAARN Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000012549726 526397863 /nfs/dbraw/zinc/39/78/63/526397863.db2.gz ANJCZNCLOVXTPU-UHFFFAOYSA-N 0 0 425.601 3.747 50 0 IHAARN O=C(NCCc1ccccc1Cl)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021049630 526428063 /nfs/dbraw/zinc/42/80/63/526428063.db2.gz UTMDYZUUUZQTEZ-UHFFFAOYSA-N 0 0 440.906 3.694 50 0 IHAARN O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000018123428 526430025 /nfs/dbraw/zinc/43/00/25/526430025.db2.gz YSDJEQSGXLTNLN-UHFFFAOYSA-N 0 0 433.321 3.799 50 0 IHAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(Cl)cc1 ZINC000022560041 526432751 /nfs/dbraw/zinc/43/27/51/526432751.db2.gz DCFQSHUNJZJZLZ-UHFFFAOYSA-N 0 0 435.705 3.795 50 0 IHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000012818102 526433187 /nfs/dbraw/zinc/43/31/87/526433187.db2.gz JTCVNYKPLPFRGT-INIZCTEOSA-N 0 0 449.532 3.885 50 0 IHAARN O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccc1I ZINC000012788388 526440638 /nfs/dbraw/zinc/44/06/38/526440638.db2.gz KWOFOVGHDAJPCX-UHFFFAOYSA-N 0 0 444.219 3.718 50 0 IHAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)c1C ZINC000020580574 526450003 /nfs/dbraw/zinc/45/00/03/526450003.db2.gz IXUXVFXHJFBOAS-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN Cc1csc2nc(COC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc(=O)n12 ZINC000012805564 526454849 /nfs/dbraw/zinc/45/48/49/526454849.db2.gz HSWDLGXURYWYIZ-UHFFFAOYSA-N 0 0 443.488 3.669 50 0 IHAARN O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 ZINC000014967326 526457844 /nfs/dbraw/zinc/45/78/44/526457844.db2.gz BJAOWRMNYDDATB-OAQYLSRUSA-N 0 0 435.505 3.585 50 0 IHAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 ZINC000020744887 526490035 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50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000015091191 527538859 /nfs/dbraw/zinc/53/88/59/527538859.db2.gz RTELLWRXBKOZKX-UHFFFAOYSA-N 0 0 426.542 3.818 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)C4CCC4)CC3)c12 ZINC000035912660 527555127 /nfs/dbraw/zinc/55/51/27/527555127.db2.gz INQSKTDUWVOHNX-UHFFFAOYSA-N 0 0 432.572 3.771 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc12 ZINC000012650158 527557176 /nfs/dbraw/zinc/55/71/76/527557176.db2.gz YISSRNQNDKBUHS-UHFFFAOYSA-N 0 0 431.473 3.848 50 0 IHAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000036019686 527564419 /nfs/dbraw/zinc/56/44/19/527564419.db2.gz QKTOOMLQLZWYOF-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cn1ncc2c1ncnc2SCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000021754991 527588370 /nfs/dbraw/zinc/58/83/70/527588370.db2.gz QVWPMOXWGXWYMO-QGZVFWFLSA-N 0 0 427.580 3.753 50 0 IHAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012593773 527602088 /nfs/dbraw/zinc/60/20/88/527602088.db2.gz BKHSYAVJDJNNFI-AATRIKPKSA-N 0 0 439.899 3.631 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023882478 527619142 /nfs/dbraw/zinc/61/91/42/527619142.db2.gz PJKFYUNBIBRBFA-VQHVLOKHSA-N 0 0 435.549 3.815 50 0 IHAARN O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000009666783 527625826 /nfs/dbraw/zinc/62/58/26/527625826.db2.gz AMDCPQGAWQUUPR-UHFFFAOYSA-N 0 0 447.384 3.635 50 0 IHAARN Cc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cccc3cnccc32)on1)C1CC1 ZINC000012755522 527626697 /nfs/dbraw/zinc/62/66/97/527626697.db2.gz OUDNABOPIZMXET-UHFFFAOYSA-N 0 0 431.496 3.957 50 0 IHAARN Cn1ncnc1COc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000089741177 527634398 /nfs/dbraw/zinc/63/43/98/527634398.db2.gz GBRMNKQACTYGAI-UHFFFAOYSA-N 0 0 437.477 3.954 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccccc1OCC ZINC000009530265 535005375 /nfs/dbraw/zinc/00/53/75/535005375.db2.gz VIJDTSZOQUNTGB-UHFFFAOYSA-N 0 0 433.555 3.732 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)N2CCCc3ccccc32)c1=O ZINC000013149685 535138658 /nfs/dbraw/zinc/13/86/58/535138658.db2.gz YWLPLMQBWVUCFD-UHFFFAOYSA-N 0 0 447.535 3.652 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2nccn2-c2cccc(C)c2C)CC1 ZINC000010348173 537065417 /nfs/dbraw/zinc/06/54/17/537065417.db2.gz QKAVVJIBHIWJPC-UHFFFAOYSA-N 0 0 436.581 3.939 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c(OC)c1OC ZINC000009036534 555506828 /nfs/dbraw/zinc/50/68/28/555506828.db2.gz QTXJTEJEBXDHSJ-UHFFFAOYSA-N 0 0 436.464 3.756 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 ZINC000000630600 555514592 /nfs/dbraw/zinc/51/45/92/555514592.db2.gz NGSAEKYVPGVHFR-LBPRGKRZSA-N 0 0 429.311 3.511 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)cnn1CC)CCCC2 ZINC000000649998 555522466 /nfs/dbraw/zinc/52/24/66/555522466.db2.gz XUUCHGWVMVSWIF-UHFFFAOYSA-N 0 0 440.978 3.800 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)cc1 ZINC000000650805 555522580 /nfs/dbraw/zinc/52/25/80/555522580.db2.gz IWNLUFKNDBCDJO-UHFFFAOYSA-N 0 0 426.498 3.578 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000656805 555525385 /nfs/dbraw/zinc/52/53/85/555525385.db2.gz LCBMZKRGPVUVAM-UHFFFAOYSA-N 0 0 440.521 3.533 50 0 IHAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cccc(Br)c1 ZINC000000671246 555531342 /nfs/dbraw/zinc/53/13/42/555531342.db2.gz QWTSXOUGGAQLCY-UHFFFAOYSA-N 0 0 425.304 3.560 50 0 IHAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 ZINC000000703575 555543886 /nfs/dbraw/zinc/54/38/86/555543886.db2.gz GBYSHHBDZFBRMY-JOCHJYFZSA-N 0 0 439.479 3.575 50 0 IHAARN Cn1cc(Br)c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000000709336 555546420 /nfs/dbraw/zinc/54/64/20/555546420.db2.gz ILKBJUYYSVCFKS-UHFFFAOYSA-N 0 0 440.603 3.650 50 0 IHAARN Ic1ccc(Nc2nc3nonc3nc2N2CCCCCC2)cc1 ZINC000000714217 555547992 /nfs/dbraw/zinc/54/79/92/555547992.db2.gz CNIRWXFQYXJDKE-UHFFFAOYSA-N 0 0 436.257 3.741 50 0 IHAARN COc1ccc(OC)c(/C=C2\N=C(c3ccc(I)cc3)OC2=O)c1 ZINC000000725785 555551344 /nfs/dbraw/zinc/55/13/44/555551344.db2.gz ZNEVIQLWGZXSRX-GDNBJRDFSA-N 0 0 435.217 3.653 50 0 IHAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc(OC)c1OC ZINC000000784077 555555810 /nfs/dbraw/zinc/55/58/10/555555810.db2.gz CJGSZAGZCQBGGW-OAHLLOKOSA-N 0 0 448.541 3.528 50 0 biogenic IHAARN CCCCCOc1ccccc1/C=c1/sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O ZINC000009346167 555558308 /nfs/dbraw/zinc/55/83/08/555558308.db2.gz YIHDOGDQAFDBOB-LQOIVRHRSA-N 0 0 449.532 3.780 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1Cl ZINC000000806703 555559918 /nfs/dbraw/zinc/55/99/18/555559918.db2.gz HRNHLIBUMYACJV-UHFFFAOYSA-N 0 0 437.930 3.923 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000000815216 555561454 /nfs/dbraw/zinc/56/14/54/555561454.db2.gz UNCCUULBGZIOOM-UHFFFAOYSA-N 0 0 425.443 3.793 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1 ZINC000000827292 555565388 /nfs/dbraw/zinc/56/53/88/555565388.db2.gz JBKJXFWPHMJDJY-AWEZNQCLSA-N 0 0 434.277 3.845 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000000827526 555565724 /nfs/dbraw/zinc/56/57/24/555565724.db2.gz VDOPSUHKTRANBW-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1 ZINC000000837558 555567387 /nfs/dbraw/zinc/56/73/87/555567387.db2.gz CAZXMQJJUZJTJN-CQSZACIVSA-N 0 0 434.277 3.845 50 0 IHAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@@H](c2cccc(Br)c2)NC(=O)N1 ZINC000000844414 555568761 /nfs/dbraw/zinc/56/87/61/555568761.db2.gz OTVUPJMAODWPOW-LLVKDONJSA-N 0 0 442.524 3.990 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000853191 555570796 /nfs/dbraw/zinc/57/07/96/555570796.db2.gz GSUGWBTXQXIOKZ-UHFFFAOYSA-N 0 0 442.468 3.697 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000000867175 555574404 /nfs/dbraw/zinc/57/44/04/555574404.db2.gz AHMXTIPWSTVECW-IBGZPJMESA-N 0 0 447.944 3.797 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1Cl ZINC000000869434 555574979 /nfs/dbraw/zinc/57/49/79/555574979.db2.gz AFUJPIBHAYASPZ-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000000870079 555575060 /nfs/dbraw/zinc/57/50/60/555575060.db2.gz BKAGGJSADOSULL-UHFFFAOYSA-N 0 0 436.533 3.555 50 0 IHAARN CCOC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCC ZINC000000871744 555575624 /nfs/dbraw/zinc/57/56/24/555575624.db2.gz LVFIWYFABXEQIE-UHFFFAOYSA-N 0 0 428.510 3.871 50 0 IHAARN CCc1ccccc1N(CC(=O)NCc1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000000880226 555577143 /nfs/dbraw/zinc/57/71/43/555577143.db2.gz GQPLWPNGPWHUNI-UHFFFAOYSA-N 0 0 438.549 3.769 50 0 IHAARN Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000000884602 555578726 /nfs/dbraw/zinc/57/87/26/555578726.db2.gz MKDBPYVBBMZOHP-ROUUACIJSA-N 0 0 432.450 3.824 50 0 IHAARN Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000000884606 555578754 /nfs/dbraw/zinc/57/87/54/555578754.db2.gz MKDBPYVBBMZOHP-ZWKOTPCHSA-N 0 0 432.450 3.824 50 0 IHAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000000898115 555580615 /nfs/dbraw/zinc/58/06/15/555580615.db2.gz LWSAZGJQAJNUJH-UHFFFAOYSA-N 0 0 440.308 3.534 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000000959605 555591007 /nfs/dbraw/zinc/59/10/07/555591007.db2.gz VKSQVCWLQDETQA-UHFFFAOYSA-N 0 0 432.476 3.811 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)OC)c1C ZINC000000996534 555598644 /nfs/dbraw/zinc/59/86/44/555598644.db2.gz UFCDFQZZNSUSEE-UHFFFAOYSA-N 0 0 434.514 3.595 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000999350 555599879 /nfs/dbraw/zinc/59/98/79/555599879.db2.gz NLFJLMOIXJFXNH-UHFFFAOYSA-N 0 0 428.418 3.729 50 0 IHAARN Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000001008678 555601375 /nfs/dbraw/zinc/60/13/75/555601375.db2.gz CEEURQRLTSOCDH-UFWORHAWSA-N 0 0 435.461 3.582 50 0 IHAARN COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001008257 555601415 /nfs/dbraw/zinc/60/14/15/555601415.db2.gz VWYQLYQPYXYFOY-ODLFYWEKSA-N 0 0 442.493 3.696 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)Cc2ccccc2)cc1 ZINC000001024865 555604301 /nfs/dbraw/zinc/60/43/01/555604301.db2.gz XXTHVVIHUKGFCC-UHFFFAOYSA-N 0 0 440.521 3.533 50 0 IHAARN CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1N ZINC000001037605 555608740 /nfs/dbraw/zinc/60/87/40/555608740.db2.gz NYRHNALIEIZLRT-UHFFFAOYSA-N 0 0 436.338 3.859 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc1C ZINC000001071230 555621559 /nfs/dbraw/zinc/62/15/59/555621559.db2.gz JFQUYXGPIWCNHM-UHFFFAOYSA-N 0 0 434.583 3.765 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1 ZINC000001087820 555626840 /nfs/dbraw/zinc/62/68/40/555626840.db2.gz NAHLFLZIUIGTKJ-ZOVQAKDCSA-N 0 0 425.484 3.628 50 0 IHAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001093673 555627578 /nfs/dbraw/zinc/62/75/78/555627578.db2.gz CJVPAONBKZRZMQ-UHFFFAOYSA-N 0 0 443.407 3.689 50 0 IHAARN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2c(c1)OCCO2 ZINC000001104793 555629250 /nfs/dbraw/zinc/62/92/50/555629250.db2.gz RJCDQWSSYTUZHT-UHFFFAOYSA-N 0 0 432.461 3.788 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cc4nc5ccccc5[nH]4)cc3)C2=O)cc1 ZINC000001109359 555630818 /nfs/dbraw/zinc/63/08/18/555630818.db2.gz QWFAKRHXYUNBOX-JOCHJYFZSA-N 0 0 426.476 3.906 50 0 IHAARN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)OCc1c(F)cccc1Cl ZINC000001115756 555634246 /nfs/dbraw/zinc/63/42/46/555634246.db2.gz BZWVEHHNMFTRQO-UHFFFAOYSA-N 0 0 426.680 3.808 50 0 IHAARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001119064 555636135 /nfs/dbraw/zinc/63/61/35/555636135.db2.gz HVOUYKQPXNUJBK-UHFFFAOYSA-N 0 0 425.963 3.942 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000001119376 555636409 /nfs/dbraw/zinc/63/64/09/555636409.db2.gz SVFMDWFMVVLABM-UHFFFAOYSA-N 0 0 425.348 3.725 50 0 IHAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000001126845 555641384 /nfs/dbraw/zinc/64/13/84/555641384.db2.gz PLRIKZCPKVPXGY-UHFFFAOYSA-N 0 0 441.532 3.715 50 0 IHAARN CCOc1cccc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)c1 ZINC000001128934 555643160 /nfs/dbraw/zinc/64/31/60/555643160.db2.gz MUUDAXOUUCBILT-UHFFFAOYSA-N 0 0 437.492 3.807 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001135283 555646830 /nfs/dbraw/zinc/64/68/30/555646830.db2.gz APEGMTHFACQLRA-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000001139192 555648849 /nfs/dbraw/zinc/64/88/49/555648849.db2.gz XRPHKOHTFJPSOV-UHFFFAOYSA-N 0 0 439.331 3.582 50 0 IHAARN CN(c1nc(O)c(CC(=O)Nc2ccc(Br)cc2)s1)c1ccc(O)cc1 ZINC000001143231 555651184 /nfs/dbraw/zinc/65/11/84/555651184.db2.gz GUVYFAHTUWJAQV-OAHLLOKOSA-N 0 0 434.315 3.618 50 0 aggregator IHAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000001143245 555651246 /nfs/dbraw/zinc/65/12/46/555651246.db2.gz OCASMUCFYCONEQ-UHFFFAOYSA-N 0 0 431.330 3.626 50 0 IHAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000001152598 555657253 /nfs/dbraw/zinc/65/72/53/555657253.db2.gz DFBJZBXPNGDILH-SANMLTNESA-N 0 0 429.472 3.774 50 0 IHAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc(Br)cc1 ZINC000001153206 555657500 /nfs/dbraw/zinc/65/75/00/555657500.db2.gz IPPCJJQJGVOROO-CYBMUJFWSA-N 0 0 436.689 3.882 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(C)cc2)cc1 ZINC000001161397 555662063 /nfs/dbraw/zinc/66/20/63/555662063.db2.gz YMAKVKCWQCCOKL-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc(Cl)cc(OC)c1OC ZINC000001171605 555667313 /nfs/dbraw/zinc/66/73/13/555667313.db2.gz NLZMXJLHWJTMSU-SFHVURJKSA-N 0 0 432.929 3.850 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000001172097 555667357 /nfs/dbraw/zinc/66/73/57/555667357.db2.gz QBFXTPUACYIKLS-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1cc(NC(=S)NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccco1 ZINC000001176611 555669973 /nfs/dbraw/zinc/66/99/73/555669973.db2.gz DTQJSMGJXFBLMV-UHFFFAOYSA-N 0 0 439.493 3.741 50 0 IHAARN Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001187197 555675005 /nfs/dbraw/zinc/67/50/05/555675005.db2.gz MHGOKPWBNUTNCL-UHFFFAOYSA-N 0 0 426.513 3.988 50 0 IHAARN COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 ZINC000001190641 555675801 /nfs/dbraw/zinc/67/58/01/555675801.db2.gz VLGCBTDXYBZAHN-DEDYPNTBSA-N 0 0 430.460 3.511 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000001203050 555679398 /nfs/dbraw/zinc/67/93/98/555679398.db2.gz FVLPFGJIGCHPIJ-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1cccc(OC)c1OC ZINC000001215854 555683940 /nfs/dbraw/zinc/68/39/40/555683940.db2.gz MAISDXXPGFINCW-FQEVSTJZSA-N 0 0 438.505 3.664 50 0 IHAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 ZINC000001245677 555687479 /nfs/dbraw/zinc/68/74/79/555687479.db2.gz YZSHPOKLTGHLLO-SFHVURJKSA-N 0 0 431.945 3.695 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000001295357 555689389 /nfs/dbraw/zinc/68/93/89/555689389.db2.gz GUMBMIQMKLNXOO-HXUWFJFHSA-N 0 0 441.553 3.761 50 0 IHAARN CCN1C(=O)[C@@](O)(CC(=O)c2cc(Br)c(Br)o2)c2ccccc21 ZINC000001320428 555689987 /nfs/dbraw/zinc/68/99/87/555689987.db2.gz FLZCQFRDCUJWDJ-MRXNPFEDSA-N 0 0 443.091 3.632 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2c(C)nc3c4cccnc4sc3c2=O)cc1Cl ZINC000046153678 555690028 /nfs/dbraw/zinc/69/00/28/555690028.db2.gz RLGCPXUNHLNHIG-UHFFFAOYSA-N 0 0 444.900 3.624 50 0 IHAARN Cc1ccc(SCCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000010210632 555691809 /nfs/dbraw/zinc/69/18/09/555691809.db2.gz KKIGNUVAOIHDFT-UHFFFAOYSA-N 0 0 432.567 3.698 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1[C@H](C(=O)OC)CC2 ZINC000001772514 555713738 /nfs/dbraw/zinc/71/37/38/555713738.db2.gz ZYYPTDUSLBSKBM-CQSZACIVSA-N 0 0 431.510 3.844 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010405219 555714675 /nfs/dbraw/zinc/71/46/75/555714675.db2.gz YVYJYQVLEOLDNY-GFCCVEGCSA-N 0 0 429.416 3.601 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)cc1Cl ZINC000071890433 555744686 /nfs/dbraw/zinc/74/46/86/555744686.db2.gz IJHJBGSFJVVFCD-KRWDZBQOSA-N 0 0 434.993 3.925 50 0 IHAARN CC(C)(C)c1ccc(OCCNC(=S)NC(=O)c2cncc(Br)c2)cc1 ZINC000002121719 555745595 /nfs/dbraw/zinc/74/55/95/555745595.db2.gz GKEFOMLLAPMGPJ-UHFFFAOYSA-N 0 0 436.375 3.825 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cncc(Br)c2)cc1 ZINC000002121720 555745634 /nfs/dbraw/zinc/74/56/34/555745634.db2.gz NTWNHTNMCLQZIC-UHFFFAOYSA-N 0 0 436.331 3.928 50 0 IHAARN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000002223590 555759670 /nfs/dbraw/zinc/75/96/70/555759670.db2.gz JQOXTOYBTSNIKV-UHFFFAOYSA-N 0 0 426.523 3.783 50 0 IHAARN COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000002244161 555761944 /nfs/dbraw/zinc/76/19/44/555761944.db2.gz BJSDNVVWJYDOLK-UHFFFAOYSA-N 0 0 426.900 3.702 50 0 in-vitro IHAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000002418689 555777467 /nfs/dbraw/zinc/77/74/67/555777467.db2.gz GHYGWTPQHWSGBY-YCRPNKLZSA-N 0 0 439.439 3.674 50 0 IHAARN Cc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2cccs2)CC3)cc1 ZINC000034676633 555794699 /nfs/dbraw/zinc/79/46/99/555794699.db2.gz CDVWKBQEQIYMBO-UHFFFAOYSA-N 0 0 449.580 3.589 50 0 IHAARN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc4cccc5c4c(c3)C(=O)NC5=O)cc21 ZINC000002685324 555798729 /nfs/dbraw/zinc/79/87/29/555798729.db2.gz PQCFAWJGDDEELI-UHFFFAOYSA-N 0 0 448.456 3.781 50 0 IHAARN COc1cccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)c1 ZINC000002688101 555799120 /nfs/dbraw/zinc/79/91/20/555799120.db2.gz ZQCXPRJHQDOWAZ-UHFFFAOYSA-N 0 0 445.504 3.731 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)c1 ZINC000002693292 555799804 /nfs/dbraw/zinc/79/98/04/555799804.db2.gz XSJUYRUBAAELRT-UHFFFAOYSA-N 0 0 447.513 3.502 50 0 IHAARN Cc1cccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2cccc(F)c2)c1 ZINC000034692977 555805733 /nfs/dbraw/zinc/80/57/33/555805733.db2.gz VHQJIGQCFVXBPV-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN COc1ccc(-n2c3ncn(Cc4ccccc4Cl)c3c(=O)n(CC(C)C)c2=O)cc1 ZINC000034693878 555808590 /nfs/dbraw/zinc/80/85/90/555808590.db2.gz QGAYTVHWFFHMJA-UHFFFAOYSA-N 0 0 438.915 3.715 50 0 IHAARN Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cnn1C ZINC000002753648 555810985 /nfs/dbraw/zinc/81/09/85/555810985.db2.gz KKBHQYXTBAZPTB-WMZOPIPTSA-N 0 0 432.450 3.824 50 0 IHAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)C(C)C)[C@H](C)C4)n23)c1 ZINC000034707030 555821824 /nfs/dbraw/zinc/82/18/24/555821824.db2.gz IHXRGVRDEYTPOQ-GOSISDBHSA-N 0 0 428.540 3.946 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1)c1ccccc1 ZINC000034707210 555822156 /nfs/dbraw/zinc/82/21/56/555822156.db2.gz TVRSHYZQXDDSSP-HXUWFJFHSA-N 0 0 440.551 3.997 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000002814439 555828422 /nfs/dbraw/zinc/82/84/22/555828422.db2.gz QNXMJFYVTSSMJB-UHFFFAOYSA-N 0 0 447.409 3.976 50 0 IHAARN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cccc(I)c2)c1 ZINC000002843942 555836632 /nfs/dbraw/zinc/83/66/32/555836632.db2.gz MJVCETMWHYMYPF-UHFFFAOYSA-N 0 0 426.279 3.740 50 0 IHAARN CN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002848364 555838472 /nfs/dbraw/zinc/83/84/72/555838472.db2.gz UGXAUPGCBFXGSB-UHFFFAOYSA-N 0 0 433.327 3.862 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002850934 555839237 /nfs/dbraw/zinc/83/92/37/555839237.db2.gz YMXIZCACQHWWDO-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000002851159 555839355 /nfs/dbraw/zinc/83/93/55/555839355.db2.gz ZBBNRZFJIUBPDI-NSHDSACASA-N 0 0 431.739 3.716 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000002856867 555842007 /nfs/dbraw/zinc/84/20/07/555842007.db2.gz RZXXVKUZARLSPQ-QFIPXVFZSA-N 0 0 434.517 3.980 50 0 IHAARN CN(C)c1nc(NCc2ccccc2)nc(SCC(=O)Nc2ccccc2Cl)n1 ZINC000002860451 555844171 /nfs/dbraw/zinc/84/41/71/555844171.db2.gz XIXZBGDWIZFXMX-UHFFFAOYSA-N 0 0 428.949 3.934 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)C[C@H]1C ZINC000034700470 555849383 /nfs/dbraw/zinc/84/93/83/555849383.db2.gz YFZFOLITXBSBKE-GOSISDBHSA-N 0 0 428.540 3.561 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(SC)c3)C2)cc1C ZINC000002881847 555855817 /nfs/dbraw/zinc/85/58/17/555855817.db2.gz NERKJZSHQJZEOA-MRXNPFEDSA-N 0 0 434.583 3.765 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000002886179 555858042 /nfs/dbraw/zinc/85/80/42/555858042.db2.gz VPCPHTQETLRWSU-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc(Br)ccc1O ZINC000002886480 555858389 /nfs/dbraw/zinc/85/83/89/555858389.db2.gz ORWRNDGIUAROPJ-UHFFFAOYSA-N 0 0 437.294 3.820 50 0 IHAARN CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002924244 555863462 /nfs/dbraw/zinc/86/34/62/555863462.db2.gz TWQUKWFNIHLVQW-QGZVFWFLSA-N 0 0 439.306 3.881 50 0 IHAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 ZINC000002952094 555865979 /nfs/dbraw/zinc/86/59/79/555865979.db2.gz DSJWWYGLZBFEEN-AWEZNQCLSA-N 0 0 442.796 3.849 50 0 IHAARN CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002961315 555867685 /nfs/dbraw/zinc/86/76/85/555867685.db2.gz WQHOJNSZBPRPCL-UHFFFAOYSA-N 0 0 439.375 3.508 50 0 IHAARN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccco2)c(C(=O)OCC)c1C ZINC000002996726 555876334 /nfs/dbraw/zinc/87/63/34/555876334.db2.gz HPNQGABRPSHYQI-CMDGGOBGSA-N 0 0 436.511 3.529 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)P(=O)(OCC)OCC ZINC000003103243 555887007 /nfs/dbraw/zinc/88/70/07/555887007.db2.gz CZVHWVYOCJZFLZ-OAHLLOKOSA-N 0 0 429.303 3.643 50 0 IHAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl ZINC000003130659 555890163 /nfs/dbraw/zinc/89/01/63/555890163.db2.gz MAMSWEAFBKFVQI-AWEZNQCLSA-N 0 0 440.780 3.618 50 0 IHAARN CCCC(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787893 555915936 /nfs/dbraw/zinc/91/59/36/555915936.db2.gz WMKPZOCNZNQUIB-VWLOTQADSA-N 0 0 439.625 3.865 50 0 IHAARN CC(=O)c1ccc(NC(=S)NC[C@H](C)NC(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003305407 555917485 /nfs/dbraw/zinc/91/74/85/555917485.db2.gz PNVDEOGVBCRFHS-ZDUSSCGKSA-N 0 0 428.583 3.753 50 0 IHAARN C[C@@H]1S[C@H](c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000034854678 555923887 /nfs/dbraw/zinc/92/38/87/555923887.db2.gz PRUHCPYILUXBCJ-GAJHUEQPSA-N 0 0 429.630 3.501 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)CC(C)C)cc1 ZINC000034857451 555924610 /nfs/dbraw/zinc/92/46/10/555924610.db2.gz KBDSKDBJBODSMY-JOCHJYFZSA-N 0 0 426.557 3.974 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000003666288 555945109 /nfs/dbraw/zinc/94/51/09/555945109.db2.gz DVNXGFYAPBSIBY-UHFFFAOYSA-N 0 0 438.977 3.960 50 0 IHAARN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004112344 555963543 /nfs/dbraw/zinc/96/35/43/555963543.db2.gz UTHOPROUGTUCHE-QDMVCWPOSA-N 0 0 432.557 3.927 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)cc1 ZINC000004163798 555970952 /nfs/dbraw/zinc/97/09/52/555970952.db2.gz IALIIKWONGTJQF-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005027824 556028839 /nfs/dbraw/zinc/02/88/39/556028839.db2.gz FHVYVDAOAHUIDB-UHFFFAOYSA-N 0 0 430.614 3.979 50 0 IHAARN COc1ccc(CN2CN(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002234712 556061407 /nfs/dbraw/zinc/06/14/07/556061407.db2.gz VYKFLUZWZLUUOY-UHFFFAOYSA-N 0 0 438.534 3.873 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)Nc2c(C)cccc2C(C)C)no1 ZINC000010570152 556072916 /nfs/dbraw/zinc/07/29/16/556072916.db2.gz OAMCCRWYIYINOG-OAHLLOKOSA-N 0 0 433.530 3.657 50 0 IHAARN CC(C)(C(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000006058737 556073242 /nfs/dbraw/zinc/07/32/42/556073242.db2.gz YLTOJXXUZUPYQF-UHFFFAOYSA-N 0 0 432.489 3.561 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1Cl ZINC000006184613 556079534 /nfs/dbraw/zinc/07/95/34/556079534.db2.gz LGBBDYTWAPFESY-ZDUSSCGKSA-N 0 0 434.949 3.738 50 0 IHAARN COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241193 556081960 /nfs/dbraw/zinc/08/19/60/556081960.db2.gz RRMSPNKGBOSWLD-BEFAXECRSA-N 0 0 447.557 3.649 50 0 IHAARN Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000006244995 556082213 /nfs/dbraw/zinc/08/22/13/556082213.db2.gz WWBKJBPNXYJCJO-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN Cc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006244977 556082226 /nfs/dbraw/zinc/08/22/26/556082226.db2.gz FWAXTBBXEQJRIB-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCc2sccc2C1 ZINC000010572656 556090775 /nfs/dbraw/zinc/09/07/75/556090775.db2.gz XDDBHNAMVDCQHA-HNNXBMFYSA-N 0 0 446.623 3.924 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)cc1 ZINC000002693369 556120935 /nfs/dbraw/zinc/12/09/35/556120935.db2.gz VHZHVJHKTIPFBX-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000002702448 556122633 /nfs/dbraw/zinc/12/26/33/556122633.db2.gz IYNKROIZPBWORX-HKUYNNGSSA-N 0 0 430.526 3.850 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1cccc(Cl)c1)c2=O ZINC000002712297 556125409 /nfs/dbraw/zinc/12/54/09/556125409.db2.gz VJVMRAAHXZDJPN-AWEZNQCLSA-N 0 0 428.872 3.624 50 0 IHAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1cccc3ccccc31)c2=O ZINC000002712204 556125432 /nfs/dbraw/zinc/12/54/32/556125432.db2.gz JRMRLSDUAGKNCG-UHFFFAOYSA-N 0 0 430.460 3.735 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(C)c(Cl)c1)c2=O ZINC000002712311 556125699 /nfs/dbraw/zinc/12/56/99/556125699.db2.gz CNQAGJXZWOFLKP-HNNXBMFYSA-N 0 0 442.899 3.932 50 0 IHAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(C)ccc1C ZINC000002724036 556130450 /nfs/dbraw/zinc/13/04/50/556130450.db2.gz BFDIPGNTKVOMOZ-UHFFFAOYSA-N 0 0 430.555 3.531 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)Nc1ccc2c(c1)OCO2 ZINC000002716350 556130818 /nfs/dbraw/zinc/13/08/18/556130818.db2.gz NXCRXHKOFPPGPN-UHFFFAOYSA-N 0 0 430.460 3.631 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)o2)c(C)c1Br ZINC000002780572 556141560 /nfs/dbraw/zinc/14/15/60/556141560.db2.gz GZEDBDHUGXLXFF-QGZVFWFLSA-N 0 0 448.365 3.945 50 0 IHAARN CCCNC(=O)c1c(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)cnn1C ZINC000002799771 556142084 /nfs/dbraw/zinc/14/20/84/556142084.db2.gz QGCRTPVTYAQHOQ-UHFFFAOYSA-N 0 0 432.524 3.880 50 0 IHAARN CC(C)(C)n1nc2c(c1NC(=O)c1cc(Br)ccc1Cl)CS(=O)(=O)C2 ZINC000003008411 556154477 /nfs/dbraw/zinc/15/44/77/556154477.db2.gz NTELFLPOMGTTEU-UHFFFAOYSA-N 0 0 446.754 3.735 50 0 IHAARN COc1ccc(-c2nsc(SCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000003007356 556156707 /nfs/dbraw/zinc/15/67/07/556156707.db2.gz RRQJGUITGHZYOC-UHFFFAOYSA-N 0 0 426.567 3.655 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 ZINC000008383865 556159698 /nfs/dbraw/zinc/15/96/98/556159698.db2.gz BKQMFWSCFAJACA-TZIWHRDSSA-N 0 0 437.492 3.811 50 0 IHAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000008384217 556159928 /nfs/dbraw/zinc/15/99/28/556159928.db2.gz AVKSKZLZMCNNSY-UHFFFAOYSA-N 0 0 448.479 3.877 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3O)cc2)cc1 ZINC000008384426 556160243 /nfs/dbraw/zinc/16/02/43/556160243.db2.gz WBTAGRNYDOQSID-UHFFFAOYSA-N 0 0 426.446 3.508 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000008399706 556165636 /nfs/dbraw/zinc/16/56/36/556165636.db2.gz LNPOMRDYJURMTF-UHFFFAOYSA-N 0 0 426.494 3.904 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCCC2 ZINC000008400417 556165972 /nfs/dbraw/zinc/16/59/72/556165972.db2.gz LJJJCHNXOVLZNF-UHFFFAOYSA-N 0 0 426.494 3.709 50 0 IHAARN O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000008424379 556167947 /nfs/dbraw/zinc/16/79/47/556167947.db2.gz VUHUMWPLMVQDLQ-GMAHTHKFSA-N 0 0 445.471 3.714 50 0 IHAARN COc1ccc(CCNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1OC ZINC000008425931 556168578 /nfs/dbraw/zinc/16/85/78/556168578.db2.gz IHABNYZRBFOSOC-CAPFRKAQSA-N 0 0 436.533 3.895 50 0 IHAARN O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1 ZINC000008432849 556172163 /nfs/dbraw/zinc/17/21/63/556172163.db2.gz PWBWMZUUULZMEX-YZOGRGCUSA-N 0 0 443.927 3.656 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449895 556180974 /nfs/dbraw/zinc/18/09/74/556180974.db2.gz LLAXYEMFDRGWOT-WKZKVMAPSA-N 0 0 431.488 3.879 50 0 IHAARN O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008595801 556190424 /nfs/dbraw/zinc/19/04/24/556190424.db2.gz XDYRZWBHXFXTGR-UHFFFAOYSA-N 0 0 432.333 3.848 50 0 IHAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008674496 556198853 /nfs/dbraw/zinc/19/88/53/556198853.db2.gz YQWOJSFBXVJHGH-UHFFFAOYSA-N 0 0 427.322 3.931 50 0 IHAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000008714636 556201780 /nfs/dbraw/zinc/20/17/80/556201780.db2.gz YMCBNQSBKDZOGY-UHFFFAOYSA-N 0 0 432.970 3.680 50 0 IHAARN O=C(NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)o1 ZINC000008722840 556203757 /nfs/dbraw/zinc/20/37/57/556203757.db2.gz RHWRQWKDXRFMEC-CYBMUJFWSA-N 0 0 425.304 3.727 50 0 IHAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O ZINC000008875150 556230260 /nfs/dbraw/zinc/23/02/60/556230260.db2.gz MYHUMBNGGNEEAQ-TVNQGELYSA-N 0 0 444.303 3.541 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@@](O)([C@H](C)C(=O)c3ccccc3)C2=O)cc1OC ZINC000008919039 556233080 /nfs/dbraw/zinc/23/30/80/556233080.db2.gz RWASCRWLVRICNW-QUGAMOGWSA-N 0 0 431.488 3.957 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3ccccc3)o1)CCC2 ZINC000008925031 556234063 /nfs/dbraw/zinc/23/40/63/556234063.db2.gz LPJBCMFDYRICMG-UHFFFAOYSA-N 0 0 429.523 3.728 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2F)cc1 ZINC000008958871 556236465 /nfs/dbraw/zinc/23/64/65/556236465.db2.gz VEFWQFRQBFRZDT-HXUWFJFHSA-N 0 0 443.544 3.613 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)c(OC)c1 ZINC000008994204 556239064 /nfs/dbraw/zinc/23/90/64/556239064.db2.gz AFESATRLYNGJMQ-VWLOTQADSA-N 0 0 435.451 3.850 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@H]2CCCC[C@@H]21 ZINC000009123887 556248174 /nfs/dbraw/zinc/24/81/74/556248174.db2.gz PTBCTVVKUYENGB-FDFHNCONSA-N 0 0 449.551 3.593 50 0 IHAARN Cc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568703 556248460 /nfs/dbraw/zinc/24/84/60/556248460.db2.gz BCMPVTURKUKWSG-GWCFYCIZSA-N 0 0 441.535 3.706 50 0 IHAARN O=C(C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000009190057 556252670 /nfs/dbraw/zinc/25/26/70/556252670.db2.gz JBKQQOICJNSXAP-HNNXBMFYSA-N 0 0 437.352 3.519 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009197179 556255316 /nfs/dbraw/zinc/25/53/16/556255316.db2.gz XCIIBHDACBHOLU-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000009199176 556256747 /nfs/dbraw/zinc/25/67/47/556256747.db2.gz OFAZOIWOCCQIEI-AWEZNQCLSA-N 0 0 425.872 3.580 50 0 IHAARN CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199179 556256793 /nfs/dbraw/zinc/25/67/93/556256793.db2.gz BVRUVNHKZXRTKZ-CYBMUJFWSA-N 0 0 431.949 3.655 50 0 IHAARN O=C(Cn1nnnc1-c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000009224914 556258619 /nfs/dbraw/zinc/25/86/19/556258619.db2.gz SNLYWFILZLZNBX-UHFFFAOYSA-N 0 0 441.314 3.865 50 0 IHAARN Cc1ccc2[nH]c3c(cnn(CC(=O)Nc4ccc(C)cc4Br)c3=O)c2c1 ZINC000009225870 556260047 /nfs/dbraw/zinc/26/00/47/556260047.db2.gz QMDFTFIEPYBUEH-UHFFFAOYSA-N 0 0 425.286 3.896 50 0 IHAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3ccc(Br)cc3)o2)cn1 ZINC000009227306 556261099 /nfs/dbraw/zinc/26/10/99/556261099.db2.gz GZEWQAKXHFMZLR-UHFFFAOYSA-N 0 0 442.313 3.962 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009236722 556264150 /nfs/dbraw/zinc/26/41/50/556264150.db2.gz POOQXEMQTBWHRC-IAGOWNOFSA-N 0 0 433.896 3.785 50 0 IHAARN COc1cccc(C(=O)C[C@]2(NC(C)=O)c3ccccc3N(Cc3ccccc3)C2=O)c1 ZINC000009306520 556276811 /nfs/dbraw/zinc/27/68/11/556276811.db2.gz PWDFFMUXBDDCAP-SANMLTNESA-N 0 0 428.488 3.846 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCCC3)N1CCCCC1 ZINC000013691124 556280563 /nfs/dbraw/zinc/28/05/63/556280563.db2.gz IKIQHLZRUJTJNS-UHFFFAOYSA-N 0 0 447.564 3.664 50 0 IHAARN COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000013692806 556282561 /nfs/dbraw/zinc/28/25/61/556282561.db2.gz RNQZCBGGSRTSPC-QZTJIDSGSA-N 0 0 436.986 3.619 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000009424733 556289608 /nfs/dbraw/zinc/28/96/08/556289608.db2.gz BDHBDQLPTJCKKN-ZDUSSCGKSA-N 0 0 434.366 3.650 50 0 IHAARN O=C1C[C@@H](N2CCc3[nH]c4c(cccc4Br)c3C2)C(=O)N1Cc1ccccc1 ZINC000013724856 556292533 /nfs/dbraw/zinc/29/25/33/556292533.db2.gz VWEVZOYMBQSGBQ-LJQANCHMSA-N 0 0 438.325 3.616 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000009463495 556293168 /nfs/dbraw/zinc/29/31/68/556293168.db2.gz HJYXZPQKXSQXGE-UHFFFAOYSA-N 0 0 445.504 3.831 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(Cl)cc1 ZINC000013729113 556294359 /nfs/dbraw/zinc/29/43/59/556294359.db2.gz CGUVIWWBTPBTBL-UHFFFAOYSA-N 0 0 425.916 3.514 50 0 IHAARN O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl ZINC000009525827 556296030 /nfs/dbraw/zinc/29/60/30/556296030.db2.gz DJZOYTAGFQNVTL-UHFFFAOYSA-N 0 0 431.897 3.839 50 0 IHAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)[C@@H]2CCCO2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000013734721 556297081 /nfs/dbraw/zinc/29/70/81/556297081.db2.gz FUMRZPVVNMSUGS-IBGZPJMESA-N 0 0 446.500 3.836 50 0 IHAARN COc1ccc(N(CCC(=O)N[C@H](C)C2CC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000032739433 556300041 /nfs/dbraw/zinc/30/00/41/556300041.db2.gz QKDPMNNVKSNPSM-OAHLLOKOSA-N 0 0 436.961 3.849 50 0 IHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009590946 556301176 /nfs/dbraw/zinc/30/11/76/556301176.db2.gz RRJVFNWSEJPLLR-HOCLYGCPSA-N 0 0 430.298 3.925 50 0 IHAARN CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000032740654 556301776 /nfs/dbraw/zinc/30/17/76/556301776.db2.gz QUISNKGRICAMSG-UHFFFAOYSA-N 0 0 446.554 3.577 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1csc(-c2cccs2)n1 ZINC000032740774 556301812 /nfs/dbraw/zinc/30/18/12/556301812.db2.gz RIJHEGSSNHVLLI-UHFFFAOYSA-N 0 0 443.550 3.673 50 0 IHAARN O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000032741612 556303062 /nfs/dbraw/zinc/30/30/62/556303062.db2.gz FBMSWJABRDYFAM-NRFANRHFSA-N 0 0 434.565 3.896 50 0 IHAARN O=C([C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccccc1)N1CCOCC1 ZINC000032741711 556303375 /nfs/dbraw/zinc/30/33/75/556303375.db2.gz YTHNGZVPQQQLMZ-IBGZPJMESA-N 0 0 445.928 3.994 50 0 IHAARN CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000032743487 556303944 /nfs/dbraw/zinc/30/39/44/556303944.db2.gz AFXRVXBMXBRYLQ-AWEZNQCLSA-N 0 0 449.882 3.584 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CCN2C(=O)CSc3ccccc32)c(OC)c1 ZINC000032744741 556304938 /nfs/dbraw/zinc/30/49/38/556304938.db2.gz NNGWWXCUGYXOCZ-SFHVURJKSA-N 0 0 426.538 3.896 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)cc1 ZINC000009698695 556306874 /nfs/dbraw/zinc/30/68/74/556306874.db2.gz UGDOYXHOWCDSKF-UHFFFAOYSA-N 0 0 436.533 3.728 50 0 IHAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000032738065 556306823 /nfs/dbraw/zinc/30/68/23/556306823.db2.gz ANKZXUVKGTYMOE-UHFFFAOYSA-N 0 0 430.489 3.964 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c1 ZINC000013778288 556307953 /nfs/dbraw/zinc/30/79/53/556307953.db2.gz KPUTUTOASGKPLY-NQHRYMMQSA-N 0 0 430.589 3.821 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1nc2ccccc2[nH]1 ZINC000032738326 556308152 /nfs/dbraw/zinc/30/81/52/556308152.db2.gz IPXWQRRHHZSESU-CQSZACIVSA-N 0 0 437.525 3.535 50 0 IHAARN C[C@@H](O)CN(C[C@H](C)O)c1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013778695 556308172 /nfs/dbraw/zinc/30/81/72/556308172.db2.gz MAQSNTSHXVZYDY-GASCZTMLSA-N 0 0 434.565 3.963 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)cc1 ZINC000009830002 556309968 /nfs/dbraw/zinc/30/99/68/556309968.db2.gz AUQXHJXZTITSJP-UHFFFAOYSA-N 0 0 441.944 3.926 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1C ZINC000009830273 556310356 /nfs/dbraw/zinc/31/03/56/556310356.db2.gz IKWDDVKJUHAMER-FQEVSTJZSA-N 0 0 448.519 3.905 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1 ZINC000009830288 556310378 /nfs/dbraw/zinc/31/03/78/556310378.db2.gz VSCPPEVOHRZDDX-UHFFFAOYSA-N 0 0 446.532 3.969 50 0 IHAARN O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000032752702 556313474 /nfs/dbraw/zinc/31/34/74/556313474.db2.gz GLLGBIWNPXBUAY-UHFFFAOYSA-N 0 0 438.846 3.747 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000009849808 556313821 /nfs/dbraw/zinc/31/38/21/556313821.db2.gz LGMTXFVNHIKDKD-OAQYLSRUSA-N 0 0 449.463 3.663 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 ZINC000009849809 556313881 /nfs/dbraw/zinc/31/38/81/556313881.db2.gz LGMTXFVNHIKDKD-NRFANRHFSA-N 0 0 449.463 3.663 50 0 IHAARN Cc1csc(=O)n1CCCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000032748146 556316934 /nfs/dbraw/zinc/31/69/34/556316934.db2.gz TYVYDUVHIWTIFU-UHFFFAOYSA-N 0 0 439.912 3.974 50 0 IHAARN O=C1Nc2ccccc2C(=O)C1C(c1ccc(O)cc1)C1C(=O)Nc2ccccc2C1=O ZINC000013839849 556317907 /nfs/dbraw/zinc/31/79/07/556317907.db2.gz JFNBBBYVFHFOIJ-UHFFFAOYSA-N 0 0 426.428 3.667 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc21 ZINC000009969249 556318870 /nfs/dbraw/zinc/31/88/70/556318870.db2.gz JCLSRIWRLAYVHL-UHFFFAOYSA-N 0 0 445.932 3.602 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000013856355 556321101 /nfs/dbraw/zinc/32/11/01/556321101.db2.gz GJLZJLJNMBDLPC-UHFFFAOYSA-N 0 0 430.570 3.643 50 0 IHAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000032754427 556323487 /nfs/dbraw/zinc/32/34/87/556323487.db2.gz YTWHMKFSJLNHAA-CQSZACIVSA-N 0 0 426.941 3.534 50 0 IHAARN Cc1c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cnn1-c1ccc(=O)[nH]n1 ZINC000032754686 556324122 /nfs/dbraw/zinc/32/41/22/556324122.db2.gz YHWGFTVDAAHAHD-HXUWFJFHSA-N 0 0 438.491 3.720 50 0 IHAARN CCc1ccc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)cc1 ZINC000032759138 556325068 /nfs/dbraw/zinc/32/50/68/556325068.db2.gz GWYKHGHDYCZXIK-JOCHJYFZSA-N 0 0 447.553 3.860 50 0 IHAARN CC1CCN([C@H](CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2cccs2)CC1 ZINC000032758999 556325130 /nfs/dbraw/zinc/32/51/30/556325130.db2.gz HYDLPTMCHFDRBS-GOSISDBHSA-N 0 0 432.567 3.606 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2C)c(Br)c1 ZINC000032770651 556334857 /nfs/dbraw/zinc/33/48/57/556334857.db2.gz QIMYPTZYPJCTRU-CYBMUJFWSA-N 0 0 426.332 3.974 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000032772824 556335680 /nfs/dbraw/zinc/33/56/80/556335680.db2.gz WVEXKPRXFSSYRA-AUSJPIAWSA-N 0 0 425.485 3.686 50 0 IHAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000032774466 556336703 /nfs/dbraw/zinc/33/67/03/556336703.db2.gz OQANZFAHHFBDBQ-NSHDSACASA-N 0 0 427.436 3.919 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000013944308 556341347 /nfs/dbraw/zinc/34/13/47/556341347.db2.gz RHPVKYJROFEKEH-INIZCTEOSA-N 0 0 435.509 3.578 50 0 IHAARN C[C@@H](C(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000011662309 556343852 /nfs/dbraw/zinc/34/38/52/556343852.db2.gz FRCBNEYUKWHEMQ-QGZVFWFLSA-N 0 0 446.507 3.831 50 0 IHAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1S[C@H](C)C(=O)NC(C)(C)C ZINC000013956526 556345270 /nfs/dbraw/zinc/34/52/70/556345270.db2.gz JZMMCAHBJRCYAK-CYBMUJFWSA-N 0 0 437.997 3.918 50 0 IHAARN CCOC(=O)c1sc(N(CC(C)C)C(=O)Cn2nc(C(F)(F)F)cc2C)nc1C ZINC000013961326 556348933 /nfs/dbraw/zinc/34/89/33/556348933.db2.gz VHLCXBZWGLRZJI-UHFFFAOYSA-N 0 0 432.468 3.841 50 0 IHAARN O=C(NCCc1c[nH]cn1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013961444 556349021 /nfs/dbraw/zinc/34/90/21/556349021.db2.gz UEPBIBLEHCYRPD-UHFFFAOYSA-N 0 0 440.838 3.826 50 0 IHAARN O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000011773355 556350675 /nfs/dbraw/zinc/35/06/75/556350675.db2.gz OKBMTNNNSNTSSH-XMMPIXPASA-N 0 0 432.564 3.979 50 0 IHAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N(CCO)C(C)C)c3C3CC3)n2)c(C)s1 ZINC000011782352 556350945 /nfs/dbraw/zinc/35/09/45/556350945.db2.gz MMFVISGJAQBUFT-UHFFFAOYSA-N 0 0 425.558 3.728 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 ZINC000011782978 556351301 /nfs/dbraw/zinc/35/13/01/556351301.db2.gz UXTWHOISLFYLGE-AJTFRIOCSA-N 0 0 444.531 3.768 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)o1 ZINC000014023080 556357514 /nfs/dbraw/zinc/35/75/14/556357514.db2.gz WFKMRCLQKSGRDF-UHFFFAOYSA-N 0 0 438.465 3.892 50 0 IHAARN Cc1cccn2c(CN(C)Cc3nc4cc(F)ccc4[nH]3)c(C(=O)N3CCCCC3)nc12 ZINC000011819393 556361497 /nfs/dbraw/zinc/36/14/97/556361497.db2.gz SXFHBIRZFKWISY-UHFFFAOYSA-N 0 0 434.519 3.916 50 0 IHAARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000032796596 556362181 /nfs/dbraw/zinc/36/21/81/556362181.db2.gz QDBLMJGHKDNJMN-SFHVURJKSA-N 0 0 430.570 3.949 50 0 IHAARN CC[C@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(Br)cc1 ZINC000014077454 556362345 /nfs/dbraw/zinc/36/23/45/556362345.db2.gz VCLSXXWIWBWIQU-INIZCTEOSA-N 0 0 441.347 3.846 50 0 IHAARN O=C(CN1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000032802506 556364970 /nfs/dbraw/zinc/36/49/70/556364970.db2.gz WXONJLOLQQWLTF-IBGZPJMESA-N 0 0 446.473 3.659 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl ZINC000014095012 556366864 /nfs/dbraw/zinc/36/68/64/556366864.db2.gz LEXKTTRTWCGKIA-UHFFFAOYSA-N 0 0 446.960 3.868 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 ZINC000011866748 556368526 /nfs/dbraw/zinc/36/85/26/556368526.db2.gz ORFKTQHXUNVXIG-LAUBAEHRSA-N 0 0 437.492 3.548 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000014109162 556368862 /nfs/dbraw/zinc/36/88/62/556368862.db2.gz VABMLGCWEARRDF-CYBMUJFWSA-N 0 0 442.566 3.964 50 0 IHAARN CCCO[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 ZINC000011873336 556369916 /nfs/dbraw/zinc/36/99/16/556369916.db2.gz SHANZFLLEKFVIJ-OAQYLSRUSA-N 0 0 444.572 3.506 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014117105 556371297 /nfs/dbraw/zinc/37/12/97/556371297.db2.gz ZWYPTEPVUHRMLF-VQTJNVASSA-N 0 0 443.613 3.842 50 0 IHAARN Cc1nonc1CN(C)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000011882448 556373654 /nfs/dbraw/zinc/37/36/54/556373654.db2.gz GQSLADLXRMLTEV-UHFFFAOYSA-N 0 0 445.567 3.677 50 0 IHAARN CC[C@@H]1CN(CC(=O)N[C@@H](CCn2ccnc2)c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011882460 556373707 /nfs/dbraw/zinc/37/37/07/556373707.db2.gz ZPTQZFPBKZKEIH-VWNXMTODSA-N 0 0 448.567 3.813 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014128888 556373859 /nfs/dbraw/zinc/37/38/59/556373859.db2.gz ZWSUKOMUNUJXBA-UHFFFAOYSA-N 0 0 444.516 3.656 50 0 IHAARN Cc1nc2ccccn2c1CN(C)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000011933250 556376944 /nfs/dbraw/zinc/37/69/44/556376944.db2.gz DREVBEBISZCRLM-UHFFFAOYSA-N 0 0 428.418 3.574 50 0 IHAARN CCCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)C1CCCCC1 ZINC000011935525 556378373 /nfs/dbraw/zinc/37/83/73/556378373.db2.gz OHCTXWLJVOIJCN-UHFFFAOYSA-N 0 0 433.618 3.784 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(C)cc4)C[C@@H]3C)o2)s1 ZINC000011938570 556379952 /nfs/dbraw/zinc/37/99/52/556379952.db2.gz IGHOYYOHWNEEBR-INIZCTEOSA-N 0 0 438.553 3.979 50 0 IHAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014168464 556380539 /nfs/dbraw/zinc/38/05/39/556380539.db2.gz IXKFZIOJBLEZQS-CQSZACIVSA-N 0 0 440.550 3.971 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000014180318 556382301 /nfs/dbraw/zinc/38/23/01/556382301.db2.gz HSWLVLFSINOUPG-UHFFFAOYSA-N 0 0 435.524 3.884 50 0 IHAARN COc1cccc(CNc2ncnc3sc(C(=O)N4CCSCC4)c(C)c32)c1OC ZINC000011995836 556384046 /nfs/dbraw/zinc/38/40/46/556384046.db2.gz WYEBUVVYPFXSHQ-UHFFFAOYSA-N 0 0 444.582 3.818 50 0 IHAARN COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000011995934 556384196 /nfs/dbraw/zinc/38/41/96/556384196.db2.gz GGKVVBUBRXIYGX-GHTZIAJQSA-N 0 0 443.503 3.611 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000014185884 556385451 /nfs/dbraw/zinc/38/54/51/556385451.db2.gz NJSQCTSYMPBYNQ-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2snnc2C)C3)cc1 ZINC000012000822 556385571 /nfs/dbraw/zinc/38/55/71/556385571.db2.gz PEVSXDODQVIMMW-INIZCTEOSA-N 0 0 443.912 3.687 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3C)CC2)cc1C ZINC000014190285 556387625 /nfs/dbraw/zinc/38/76/25/556387625.db2.gz LXUAHDPGUJZDJF-QGZVFWFLSA-N 0 0 432.611 3.912 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000014196929 556388368 /nfs/dbraw/zinc/38/83/68/556388368.db2.gz XQRCYBHPWZCFIP-UHFFFAOYSA-N 0 0 430.932 3.867 50 0 IHAARN COc1ccc(Br)cc1COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000014197986 556389349 /nfs/dbraw/zinc/38/93/49/556389349.db2.gz LTYMTDLCQAVFPV-UHFFFAOYSA-N 0 0 433.707 3.872 50 0 IHAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000014197848 556389383 /nfs/dbraw/zinc/38/93/83/556389383.db2.gz BABRYUNQKRUTIO-NZQKXSOJSA-N 0 0 440.590 3.647 50 0 IHAARN Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000012035420 556389581 /nfs/dbraw/zinc/38/95/81/556389581.db2.gz ZCTCWLBDUMJWKM-IBGZPJMESA-N 0 0 434.496 3.539 50 0 IHAARN CN(CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014198477 556389663 /nfs/dbraw/zinc/38/96/63/556389663.db2.gz UICOFUVHAFJUHP-MRXNPFEDSA-N 0 0 445.393 3.967 50 0 IHAARN COc1ccc(N(CCC(N)=O)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 ZINC000014199869 556390583 /nfs/dbraw/zinc/39/05/83/556390583.db2.gz BZACEHFMTVPCHS-UHFFFAOYSA-N 0 0 448.548 3.985 50 0 IHAARN Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)cc1S(=O)(=O)N(C)C ZINC000014201212 556391637 /nfs/dbraw/zinc/39/16/37/556391637.db2.gz BZIKLLFTXIAMCP-MQVJKMGUSA-N 0 0 440.656 3.796 50 0 IHAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC ZINC000012053880 556393213 /nfs/dbraw/zinc/39/32/13/556393213.db2.gz QDSMDEBOHXGIJO-UHFFFAOYSA-N 0 0 448.552 3.903 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(-c2ccc(OCC)cc2)ccc1=O ZINC000012062545 556395829 /nfs/dbraw/zinc/39/58/29/556395829.db2.gz KNWUWBVKEHPIMX-UHFFFAOYSA-N 0 0 441.509 3.739 50 0 IHAARN C[C@@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CC1 ZINC000032814632 556400355 /nfs/dbraw/zinc/40/03/55/556400355.db2.gz TWXOBWDZTJTDFW-ZDUSSCGKSA-N 0 0 441.391 3.637 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000022930843 556403848 /nfs/dbraw/zinc/40/38/48/556403848.db2.gz YLFHTQBNJKCSCF-UHFFFAOYSA-N 0 0 428.964 3.542 50 0 IHAARN COc1cc(C(=O)N(C)CC(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000014244189 556403867 /nfs/dbraw/zinc/40/38/67/556403867.db2.gz SCYWVMNGPUPMGW-UHFFFAOYSA-N 0 0 442.899 3.909 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000014244501 556404275 /nfs/dbraw/zinc/40/42/75/556404275.db2.gz GRRIJVDGIFQKGA-FQEVSTJZSA-N 0 0 448.585 3.888 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032815220 556407169 /nfs/dbraw/zinc/40/71/69/556407169.db2.gz TZXKGKWPSBXOLX-HNNXBMFYSA-N 0 0 432.329 3.780 50 0 IHAARN O=C(NCCc1nc(-c2ccccc2)no1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000032593738 556407206 /nfs/dbraw/zinc/40/72/06/556407206.db2.gz FKSRNKGXPRMWLP-UHFFFAOYSA-N 0 0 440.253 3.578 50 0 IHAARN Cc1cccc(NC(=O)C[C@]23CSc4[nH]c(=O)sc4[C@@H]2c2ccccc2OC3=O)c1 ZINC000032594662 556407792 /nfs/dbraw/zinc/40/77/92/556407792.db2.gz RTYKHDNSCSRPPR-JTSKRJEESA-N 0 0 438.530 3.917 50 0 IHAARN Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000032827237 556411389 /nfs/dbraw/zinc/41/13/89/556411389.db2.gz HULBLRDDGOVPIM-UHFFFAOYSA-N 0 0 427.504 3.846 50 0 IHAARN CC(C)[C@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000032670208 556414246 /nfs/dbraw/zinc/41/42/46/556414246.db2.gz MEMVQXHMNQQBSN-HNNXBMFYSA-N 0 0 448.658 3.655 50 0 IHAARN Cc1ccc(-n2c(SCc3cc(=O)n4cccc(C)c4n3)nc3ccccc3c2=O)nc1 ZINC000032672011 556414488 /nfs/dbraw/zinc/41/44/88/556414488.db2.gz FHGDQIXSHSMUMF-UHFFFAOYSA-N 0 0 441.516 3.698 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000032674286 556415401 /nfs/dbraw/zinc/41/54/01/556415401.db2.gz LFQJLHAOSAJZNM-SKDNTBHBSA-N 0 0 440.584 3.642 50 0 IHAARN CCOc1ccc(CN2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000032829204 556415914 /nfs/dbraw/zinc/41/59/14/556415914.db2.gz WVKXOVURHZXLHW-UHFFFAOYSA-N 0 0 428.476 3.701 50 0 IHAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Br)s1 ZINC000032678763 556416157 /nfs/dbraw/zinc/41/61/57/556416157.db2.gz MKFZRWAVNLMPFF-QGZVFWFLSA-N 0 0 434.359 3.698 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)nc2ccccc21 ZINC000032666243 556417583 /nfs/dbraw/zinc/41/75/83/556417583.db2.gz BGFMAKKSZLWJFN-UHFFFAOYSA-N 0 0 425.872 3.760 50 0 IHAARN O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1ccco1)CC2 ZINC000014532299 556420976 /nfs/dbraw/zinc/42/09/76/556420976.db2.gz XPVRIAUUGGDZAQ-UHFFFAOYSA-N 0 0 441.535 3.602 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 ZINC000012975352 556421133 /nfs/dbraw/zinc/42/11/33/556421133.db2.gz MRFIXDHBQGKUQF-QGZVFWFLSA-N 0 0 425.348 3.614 50 0 IHAARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1c2ccccc2nc2c1CCCC2 ZINC000012981775 556424444 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3.615 50 0 IHAARN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012993495 556429402 /nfs/dbraw/zinc/42/94/02/556429402.db2.gz JIAWLOHDVHNHRR-UHFFFAOYSA-N 0 0 439.364 3.629 50 0 IHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000012994366 556430027 /nfs/dbraw/zinc/43/00/27/556430027.db2.gz SXRGSUDUCTYLOC-UHFFFAOYSA-N 0 0 448.313 3.850 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000014638297 556430559 /nfs/dbraw/zinc/43/05/59/556430559.db2.gz VPJGIFBCPZEDGW-SFHVURJKSA-N 0 0 435.908 3.562 50 0 IHAARN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012998742 556432259 /nfs/dbraw/zinc/43/22/59/556432259.db2.gz DGNODWIDZUGNFK-UHFFFAOYSA-N 0 0 439.364 3.629 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(OC)c1 ZINC000032854630 556432645 /nfs/dbraw/zinc/43/26/45/556432645.db2.gz WFBLEYHVQVGLIB-JOCHJYFZSA-N 0 0 446.459 3.676 50 0 IHAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1c(F)cccc1Cl ZINC000013001198 556433308 /nfs/dbraw/zinc/43/33/08/556433308.db2.gz UIPITUJUYOXRAX-UHFFFAOYSA-N 0 0 439.814 3.910 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1 ZINC000032855914 556433448 /nfs/dbraw/zinc/43/34/48/556433448.db2.gz GKFQHGIUTACONB-IBGZPJMESA-N 0 0 442.519 3.889 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3ccco3)n2)cc1OCC ZINC000013005896 556435085 /nfs/dbraw/zinc/43/50/85/556435085.db2.gz MFHVEFBWFVSJTM-UHFFFAOYSA-N 0 0 429.498 3.911 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)=O)c2)c(Br)c1 ZINC000013009437 556435296 /nfs/dbraw/zinc/43/52/96/556435296.db2.gz SQLQRICTDSPSQW-UHFFFAOYSA-N 0 0 427.272 3.596 50 0 IHAARN Cc1nc2c(s1)c(-c1ccco1)nn(CC(=O)N1CCC(Cc3ccccc3)CC1)c2=O ZINC000013010480 556435648 /nfs/dbraw/zinc/43/56/48/556435648.db2.gz FELUMOQGPOQKGK-UHFFFAOYSA-N 0 0 448.548 3.903 50 0 IHAARN Cc1ccc2nc(COc3ccc(C(=O)Nc4nc5c(s4)CN(C)CC5)cc3)cn2c1 ZINC000027989034 556439420 /nfs/dbraw/zinc/43/94/20/556439420.db2.gz DMMYXHFUYICWPM-UHFFFAOYSA-N 0 0 433.537 3.918 50 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GHPDPVIQESYRIP-LJQANCHMSA-N 0 0 443.613 3.851 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000013100912 556460488 /nfs/dbraw/zinc/46/04/88/556460488.db2.gz MTTWSQKTUQITAK-QHCPKHFHSA-N 0 0 440.547 3.912 50 0 IHAARN COc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1NC(C)=O ZINC000013102725 556461349 /nfs/dbraw/zinc/46/13/49/556461349.db2.gz XWOGOMUJGBISSI-UHFFFAOYSA-N 0 0 446.525 3.516 50 0 IHAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000013109570 556462934 /nfs/dbraw/zinc/46/29/34/556462934.db2.gz JLSHVZAYMKMYAP-LJQANCHMSA-N 0 0 439.537 3.943 50 0 IHAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1 ZINC000013110025 556463944 /nfs/dbraw/zinc/46/39/44/556463944.db2.gz VSHHDJANVNSJHE-IBGZPJMESA-N 0 0 434.521 3.901 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000028943311 556464988 /nfs/dbraw/zinc/46/49/88/556464988.db2.gz CKQVTIMZDCQOJW-NRFANRHFSA-N 0 0 444.564 3.876 50 0 IHAARN C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013113162 556466162 /nfs/dbraw/zinc/46/61/62/556466162.db2.gz MUYNGZIWWODIKB-QGZVFWFLSA-N 0 0 441.487 3.707 50 0 IHAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CCN(Cc2ccccc2)CC1 ZINC000013114472 556466702 /nfs/dbraw/zinc/46/67/02/556466702.db2.gz LKXWIYDRUCCMFK-UHFFFAOYSA-N 0 0 439.610 3.587 50 0 IHAARN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000029083674 556466993 /nfs/dbraw/zinc/46/69/93/556466993.db2.gz VILWYPWLAVTYPT-GOSISDBHSA-N 0 0 435.590 3.510 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013117200 556469556 /nfs/dbraw/zinc/46/95/56/556469556.db2.gz CJDQGABODXENKA-HSZRJFAPSA-N 0 0 433.508 3.816 50 0 IHAARN NC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000029341282 556472895 /nfs/dbraw/zinc/47/28/95/556472895.db2.gz JKHRXGWRWLEXKQ-UHFFFAOYSA-N 0 0 436.851 3.693 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2Cl)NC(=O)N1Cc1ccccc1 ZINC000013120743 556473036 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CC(=O)N1CCN(C(=O)c2sc3ncnc(N[C@@H](C)c4cccs4)c3c2C)CC1 ZINC000015002440 556480405 /nfs/dbraw/zinc/48/04/05/556480405.db2.gz QZUUULGRCAMBSO-ZDUSSCGKSA-N 0 0 429.571 3.539 50 0 IHAARN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000013131254 556480442 /nfs/dbraw/zinc/48/04/42/556480442.db2.gz PHPVLABXVGPEDB-GOSISDBHSA-N 0 0 437.521 3.509 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C ZINC000013133715 556481404 /nfs/dbraw/zinc/48/14/04/556481404.db2.gz RBEHTMPRTOFDRO-UHFFFAOYSA-N 0 0 439.375 3.969 50 0 IHAARN O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000015006411 556481918 /nfs/dbraw/zinc/48/19/18/556481918.db2.gz DVBLHSASZJYSOY-UHFFFAOYSA-N 0 0 440.507 3.762 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1OCc1ccncc1 ZINC000029982865 556487923 /nfs/dbraw/zinc/48/79/23/556487923.db2.gz IPARGCCULGNXSA-UHFFFAOYSA-N 0 0 429.398 3.789 50 0 IHAARN O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1 ZINC000013147979 556489367 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CC(=O)Nc1ccc(OC[C@@H](O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000030531282 556496933 /nfs/dbraw/zinc/49/69/33/556496933.db2.gz AXKWPAVOPXWXFS-KRWDZBQOSA-N 0 0 427.460 3.646 50 0 IHAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000013164811 556497245 /nfs/dbraw/zinc/49/72/45/556497245.db2.gz VAPCSFJYHGGSGC-HNNXBMFYSA-N 0 0 447.520 3.805 50 0 IHAARN Cc1nccn1CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000015074269 556498126 /nfs/dbraw/zinc/49/81/26/556498126.db2.gz FRFQBFJYVMACKQ-LJQANCHMSA-N 0 0 433.512 3.646 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc2)cc1 ZINC000013165261 556498341 /nfs/dbraw/zinc/49/83/41/556498341.db2.gz AELHKTOTDANFKY-AREMUKBSSA-N 0 0 441.487 3.841 50 0 IHAARN O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000030573996 556498319 /nfs/dbraw/zinc/49/83/19/556498319.db2.gz MBPBLOWDEBNNGP-HSZRJFAPSA-N 0 0 436.581 3.617 50 0 IHAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000030669401 556501749 /nfs/dbraw/zinc/50/17/49/556501749.db2.gz QRBKRWRPUAQGJG-RBUKOAKNSA-N 0 0 434.565 3.894 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013495628 556509031 /nfs/dbraw/zinc/50/90/31/556509031.db2.gz OPLMVUZOWXMXBT-CQSZACIVSA-N 0 0 442.928 3.783 50 0 IHAARN CN(C(=O)CSCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CCCCC1 ZINC000032883056 556509573 /nfs/dbraw/zinc/50/95/73/556509573.db2.gz XYIDOCVJTDMLQM-UHFFFAOYSA-N 0 0 437.993 3.930 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cnccn1 ZINC000013514090 556511078 /nfs/dbraw/zinc/51/10/78/556511078.db2.gz HFUHXYFSAMMSIM-UHFFFAOYSA-N 0 0 428.827 3.675 50 0 IHAARN CCOC(=O)CSc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000015208976 556511142 /nfs/dbraw/zinc/51/11/42/556511142.db2.gz DPZMBYZMURBSBX-UHFFFAOYSA-N 0 0 435.596 3.907 50 0 IHAARN C[C@@H]1CN([C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000013551425 556514839 /nfs/dbraw/zinc/51/48/39/556514839.db2.gz UDGRTVPEFKQKBT-GPCCPHFNSA-N 0 0 444.584 3.984 50 0 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C[S@@](=O)C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000072298104 556521563 /nfs/dbraw/zinc/52/15/63/556521563.db2.gz UAFNMVMWUGAGGB-MNNSJKJDSA-N 0 0 441.574 3.510 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSC(=S)N(CC)CC)c(C(=O)OCC)c1C ZINC000004424418 556526859 /nfs/dbraw/zinc/52/68/59/556526859.db2.gz QDWGTHLNAVPTOO-UHFFFAOYSA-N 0 0 446.616 3.708 50 0 IHAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015441260 556528558 /nfs/dbraw/zinc/52/85/58/556528558.db2.gz JKKGPEOIIDVNRF-UHFFFAOYSA-N 0 0 447.922 3.828 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cnc3cc(C)nn3c2C)cc1 ZINC000032900518 556529122 /nfs/dbraw/zinc/52/91/22/556529122.db2.gz HEWKPORUHBTGCQ-UHFFFAOYSA-N 0 0 443.507 3.580 50 0 IHAARN CN(c1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)S(C)(=O)=O ZINC000032900568 556529402 /nfs/dbraw/zinc/52/94/02/556529402.db2.gz STYHDDZEBQTXCN-UHFFFAOYSA-N 0 0 430.555 3.545 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCCCc1ccccc1 ZINC000013592034 556530108 /nfs/dbraw/zinc/53/01/08/556530108.db2.gz XJIMJUWHVLWAFC-GCJKJVERSA-N 0 0 433.556 3.730 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)cc1OC ZINC000015481742 556530152 /nfs/dbraw/zinc/53/01/52/556530152.db2.gz HKYYIEPGJZPTFD-UHFFFAOYSA-N 0 0 448.519 3.647 50 0 IHAARN Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1ccccc1F ZINC000013607271 556533335 /nfs/dbraw/zinc/53/33/35/556533335.db2.gz CRVUZPXXROREEA-UHFFFAOYSA-N 0 0 430.486 3.717 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015546028 556534072 /nfs/dbraw/zinc/53/40/72/556534072.db2.gz YHLLDUMKLJPULW-NRFANRHFSA-N 0 0 427.932 3.867 50 0 IHAARN O=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 ZINC000032901340 556534736 /nfs/dbraw/zinc/53/47/36/556534736.db2.gz RUFITHUNLYXWMW-UHFFFAOYSA-N 0 0 438.574 3.694 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c1 ZINC000015590118 556536466 /nfs/dbraw/zinc/53/64/66/556536466.db2.gz QJSHHDQTASZPBQ-STZQEDGTSA-N 0 0 446.613 3.765 50 0 IHAARN Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000011086400 556536874 /nfs/dbraw/zinc/53/68/74/556536874.db2.gz KIQNYRJTNDTTQT-UHFFFAOYSA-N 0 0 448.447 3.643 50 0 IHAARN Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ccc2o1 ZINC000015600994 556537176 /nfs/dbraw/zinc/53/71/76/556537176.db2.gz YUEIQCJZBOVHEM-UHFFFAOYSA-N 0 0 439.537 3.664 50 0 IHAARN O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904393 556543986 /nfs/dbraw/zinc/54/39/86/556543986.db2.gz HSIHKEKQQIPFKZ-SFHVURJKSA-N 0 0 447.926 3.613 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1 ZINC000004437520 556547031 /nfs/dbraw/zinc/54/70/31/556547031.db2.gz JZACUYYBWBGMGW-UHFFFAOYSA-N 0 0 434.880 3.831 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000032722102 556547716 /nfs/dbraw/zinc/54/77/16/556547716.db2.gz SMHQOETWXHKJSG-DHUDBDOYSA-N 0 0 435.568 3.742 50 0 IHAARN CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)OC)n(Cc2ccccc2)c1 ZINC000072304423 556548893 /nfs/dbraw/zinc/54/88/93/556548893.db2.gz FERVXTABNGSXAH-UHFFFAOYSA-N 0 0 440.521 3.759 50 0 IHAARN CCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2s1 ZINC000032959661 556549626 /nfs/dbraw/zinc/54/96/26/556549626.db2.gz MHLJNPBIDHTORA-UHFFFAOYSA-N 0 0 426.517 3.675 50 0 IHAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc4c(c2)OCCO4)C3)c(OC)c1 ZINC000015778991 556551229 /nfs/dbraw/zinc/55/12/29/556551229.db2.gz OPUQMQYONPKQBA-UHFFFAOYSA-N 0 0 434.496 3.567 50 0 IHAARN NC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000011092151 556553422 /nfs/dbraw/zinc/55/34/22/556553422.db2.gz LBPGIGYSYHZPIA-UHFFFAOYSA-N 0 0 435.402 3.771 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CCc2ccncc2)CC1 ZINC000015833097 556554866 /nfs/dbraw/zinc/55/48/66/556554866.db2.gz YOIDMJGTAQXQJK-UHFFFAOYSA-N 0 0 428.330 3.899 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000015836077 556555604 /nfs/dbraw/zinc/55/56/04/556555604.db2.gz HMJCWLQSLLMWDQ-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000032905829 556556834 /nfs/dbraw/zinc/55/68/34/556556834.db2.gz BWUIPQDBSVMWSZ-AWEZNQCLSA-N 0 0 440.418 3.984 50 0 IHAARN c1ccc(-c2nnc3n2[C@@H](CSc2nnc(NC[C@H]4CCCO4)s2)CS3)cc1 ZINC000032906023 556557415 /nfs/dbraw/zinc/55/74/15/556557415.db2.gz HQVAOOFSFXOUDZ-ZIAGYGMSSA-N 0 0 432.600 3.827 50 0 IHAARN CCc1ccc(C(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033274129 556558276 /nfs/dbraw/zinc/55/82/76/556558276.db2.gz FHFCTAXDSXQTAL-UHFFFAOYSA-N 0 0 429.476 3.844 50 0 IHAARN CC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033274509 556558508 /nfs/dbraw/zinc/55/85/08/556558508.db2.gz ZHHHJTLDHGSVBI-UHFFFAOYSA-N 0 0 437.359 3.806 50 0 IHAARN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000038830252 556564416 /nfs/dbraw/zinc/56/44/16/556564416.db2.gz UBIFFCVIEQPKFB-LJQANCHMSA-N 0 0 429.398 3.757 50 0 biogenic IHAARN O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015931603 556565369 /nfs/dbraw/zinc/56/53/69/556565369.db2.gz KOJWXNCXSAUXPV-UHFFFAOYSA-N 0 0 447.409 3.911 50 0 IHAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCNC(=O)c1ccco1 ZINC000032908622 556565462 /nfs/dbraw/zinc/56/54/62/556565462.db2.gz NDPHHEYSEJTATB-MRXNPFEDSA-N 0 0 431.842 3.935 50 0 IHAARN CCOP(=O)(OCC)c1ccnc(-c2cc(P(=O)(OCC)OCC)ccn2)c1 ZINC000033989423 556570464 /nfs/dbraw/zinc/57/04/64/556570464.db2.gz BBFROMDCBUIPCU-UHFFFAOYSA-N 0 0 428.362 3.926 50 0 IHAARN O=C(Cc1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000015724556 556572431 /nfs/dbraw/zinc/57/24/31/556572431.db2.gz ZQRGEFJYOCQYBW-DEOSSOPVSA-N 0 0 444.531 3.554 50 0 IHAARN COc1ccc(C)cc1CSCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000032909477 556573315 /nfs/dbraw/zinc/57/33/15/556573315.db2.gz YNKNPKBSISXTTB-UHFFFAOYSA-N 0 0 436.599 3.743 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000001144311 556574231 /nfs/dbraw/zinc/57/42/31/556574231.db2.gz WDBUPHWDBDSCQQ-UHFFFAOYSA-N 0 0 445.313 3.711 50 0 IHAARN CCOC(=O)C1=C(COC(=O)Cc2coc3cc(C)ccc23)NC(=O)N[C@H]1c1ccccc1 ZINC000016045532 556579492 /nfs/dbraw/zinc/57/94/92/556579492.db2.gz CCUGYJWQKNDSOS-QHCPKHFHSA-N 0 0 448.475 3.698 50 0 IHAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000032966495 556587493 /nfs/dbraw/zinc/58/74/93/556587493.db2.gz VPQASQLXLNGYMG-UHFFFAOYSA-N 0 0 431.930 3.916 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000016188838 556588556 /nfs/dbraw/zinc/58/85/56/556588556.db2.gz FCHFGWUWQJFKRE-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)c1 ZINC000032971491 556589347 /nfs/dbraw/zinc/58/93/47/556589347.db2.gz RVGUXOYYTDNBPQ-UHFFFAOYSA-N 0 0 432.480 3.739 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000016194906 556589636 /nfs/dbraw/zinc/58/96/36/556589636.db2.gz MELAHORRUUOKAP-UHFFFAOYSA-N 0 0 435.480 3.512 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cccc(Cl)c2)cc1 ZINC000016217243 556592120 /nfs/dbraw/zinc/59/21/20/556592120.db2.gz NGCXBDBFCDDYPI-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000016216795 556592148 /nfs/dbraw/zinc/59/21/48/556592148.db2.gz LFLYYCGTQBPKGT-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000016234837 556593738 /nfs/dbraw/zinc/59/37/38/556593738.db2.gz KYCYJCHMTWPUDC-HNNXBMFYSA-N 0 0 426.904 3.844 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)c(Cl)c1 ZINC000016248262 556594189 /nfs/dbraw/zinc/59/41/89/556594189.db2.gz YPPFMOWFEYRNIM-UHFFFAOYSA-N 0 0 438.952 3.726 50 0 IHAARN CN1C[C@@H](c2ccccc2F)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036382117 556597868 /nfs/dbraw/zinc/59/78/68/556597868.db2.gz MIMUXDSTTFGLPT-CNVLFFCLSA-N 0 0 428.463 3.964 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000032975626 556600172 /nfs/dbraw/zinc/60/01/72/556600172.db2.gz IPQVPYRLCBGEJU-AQNXPRMDSA-N 0 0 432.586 3.623 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=S)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000016347030 556601586 /nfs/dbraw/zinc/60/15/86/556601586.db2.gz IAXPZRJMRAONAY-UHFFFAOYSA-N 0 0 433.599 3.675 50 0 IHAARN COC(=O)[C@H]1CN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2O1 ZINC000032983166 556601578 /nfs/dbraw/zinc/60/15/78/556601578.db2.gz USRIGEOSKRYAML-HSZRJFAPSA-N 0 0 433.460 3.855 50 0 IHAARN CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC ZINC000016382553 556604050 /nfs/dbraw/zinc/60/40/50/556604050.db2.gz RMBBEAVWBBTNGD-JOCHJYFZSA-N 0 0 439.581 3.983 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(SC)cc2)c1 ZINC000016426038 556606537 /nfs/dbraw/zinc/60/65/37/556606537.db2.gz IMYPPROJCAQXLB-IBGZPJMESA-N 0 0 429.567 3.857 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(SC)cc2)c1 ZINC000016426035 556606560 /nfs/dbraw/zinc/60/65/60/556606560.db2.gz IMYPPROJCAQXLB-LJQANCHMSA-N 0 0 429.567 3.857 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3cccc(C)c3)s2)cc1 ZINC000032987001 556606724 /nfs/dbraw/zinc/60/67/24/556606724.db2.gz QPSFOEJOGDUNEF-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032988089 556608720 /nfs/dbraw/zinc/60/87/20/556608720.db2.gz LZHXRIYWHGALBO-UHFFFAOYSA-N 0 0 443.551 3.799 50 0 IHAARN CSCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000032990914 556609633 /nfs/dbraw/zinc/60/96/33/556609633.db2.gz TUNDDBBNJMQVEH-QGZVFWFLSA-N 0 0 437.974 3.844 50 0 IHAARN O=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000016474344 556609948 /nfs/dbraw/zinc/60/99/48/556609948.db2.gz FSFSHPBONCXJNS-MRXNPFEDSA-N 0 0 433.327 3.843 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1F ZINC000032994806 556609985 /nfs/dbraw/zinc/60/99/85/556609985.db2.gz HARFQINCXUNMLE-UHFFFAOYSA-N 0 0 432.439 3.805 50 0 IHAARN COc1ccc([C@H](NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 ZINC000016476409 556610708 /nfs/dbraw/zinc/61/07/08/556610708.db2.gz LSNUDLYTTLOCRL-UPVQGACJSA-N 0 0 430.508 3.599 50 0 IHAARN CCOc1ccccc1NC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 ZINC000032996029 556611709 /nfs/dbraw/zinc/61/17/09/556611709.db2.gz YLHWCLXGMOXXBW-UHFFFAOYSA-N 0 0 435.509 3.847 50 0 IHAARN CCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000032915543 556612727 /nfs/dbraw/zinc/61/27/27/556612727.db2.gz MEAAWCMSEOATCG-UHFFFAOYSA-N 0 0 446.535 3.767 50 0 IHAARN CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000032915576 556612799 /nfs/dbraw/zinc/61/27/99/556612799.db2.gz RBMVMAFURGNWHN-UHFFFAOYSA-N 0 0 426.460 3.853 50 0 IHAARN COc1ccc(-c2nc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)cs2)cc1OC ZINC000016556356 556615293 /nfs/dbraw/zinc/61/52/93/556615293.db2.gz SNYSDQTZKUIWPS-UHFFFAOYSA-N 0 0 439.445 3.996 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000016597182 556616729 /nfs/dbraw/zinc/61/67/29/556616729.db2.gz GCUWYEJSHIPQSV-UHFFFAOYSA-N 0 0 441.597 3.671 50 0 IHAARN COc1ccc(C(O)(C(=O)NCCCCOc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000016675950 556622378 /nfs/dbraw/zinc/62/23/78/556622378.db2.gz NXXXVYDAHTWTHT-UHFFFAOYSA-N 0 0 435.520 3.915 50 0 IHAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000016687783 556625739 /nfs/dbraw/zinc/62/57/39/556625739.db2.gz XJQMYFUGOYRKAY-UHFFFAOYSA-N 0 0 426.513 3.987 50 0 IHAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000061384859 556628957 /nfs/dbraw/zinc/62/89/57/556628957.db2.gz VZXIDEBZZKLJOL-UHFFFAOYSA-N 0 0 426.496 3.639 50 0 IHAARN COC(=O)c1ccc(CNC(=O)CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1 ZINC000039485460 556629557 /nfs/dbraw/zinc/62/95/57/556629557.db2.gz FSGKFVDRLDUJQL-DEOSSOPVSA-N 0 0 448.494 3.864 50 0 IHAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 ZINC000033771198 556632267 /nfs/dbraw/zinc/63/22/67/556632267.db2.gz XHAABHDMKVOMAK-UHFFFAOYSA-N 0 0 441.443 3.745 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000016750664 556637106 /nfs/dbraw/zinc/63/71/06/556637106.db2.gz ZQSIOTVXZINQHK-KRWDZBQOSA-N 0 0 439.936 3.691 50 0 IHAARN CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OCC ZINC000016751301 556637580 /nfs/dbraw/zinc/63/75/80/556637580.db2.gz YPTSKYNPNPKDSW-OAQYLSRUSA-N 0 0 437.492 3.745 50 0 IHAARN COc1ccc(CCn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 ZINC000040391896 556638184 /nfs/dbraw/zinc/63/81/84/556638184.db2.gz LLGXAPBNTKPKLN-UHFFFAOYSA-N 0 0 429.455 3.805 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C ZINC000016765167 556640054 /nfs/dbraw/zinc/64/00/54/556640054.db2.gz GFKHCUMOJHFXLD-IBGZPJMESA-N 0 0 425.441 3.641 50 0 IHAARN C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016833133 556645319 /nfs/dbraw/zinc/64/53/19/556645319.db2.gz JSXAMQRJJDYUKA-ZDUSSCGKSA-N 0 0 428.535 3.696 50 0 IHAARN CC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CCCC3)c2)CC1 ZINC000037600548 556645934 /nfs/dbraw/zinc/64/59/34/556645934.db2.gz SSYFKCWIDBLOQV-UHFFFAOYSA-N 0 0 447.579 3.643 50 0 IHAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)n2)cc1 ZINC000016842703 556646281 /nfs/dbraw/zinc/64/62/81/556646281.db2.gz AJAFURVMIQHIEJ-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN COc1cc(/C=C\C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC ZINC000011726479 556647149 /nfs/dbraw/zinc/64/71/49/556647149.db2.gz KFRFRLXLANHJFP-CLFYSBASSA-N 0 0 436.508 3.543 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 ZINC000247939241 556648417 /nfs/dbraw/zinc/64/84/17/556648417.db2.gz FTMPJZDZMYJWJV-YXKWSERDSA-N 0 0 427.892 3.607 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000011738391 556649174 /nfs/dbraw/zinc/64/91/74/556649174.db2.gz FBYQAVIQXVTTAT-UHFFFAOYSA-N 0 0 432.307 3.802 50 0 IHAARN COc1ccc(-c2cc3c(SCC(=O)NCc4cccc(OC)c4)nccn3n2)cc1 ZINC000016954665 556650398 /nfs/dbraw/zinc/65/03/98/556650398.db2.gz DSQMMSMJNXEGDW-UHFFFAOYSA-N 0 0 434.521 3.822 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000016956960 556650650 /nfs/dbraw/zinc/65/06/50/556650650.db2.gz BXAARKZTYAVRJH-FQEVSTJZSA-N 0 0 425.485 3.596 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)cc1 ZINC000011751587 556650872 /nfs/dbraw/zinc/65/08/72/556650872.db2.gz RHCPEFPHSYGMGC-IBGZPJMESA-N 0 0 425.510 3.769 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F ZINC000011758527 556653015 /nfs/dbraw/zinc/65/30/15/556653015.db2.gz TXCYICYNBVPLBF-UHFFFAOYSA-N 0 0 438.488 3.538 50 0 IHAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(Cl)cc1 ZINC000011758519 556653018 /nfs/dbraw/zinc/65/30/18/556653018.db2.gz RIOPICWNIVIOMK-UHFFFAOYSA-N 0 0 428.880 3.793 50 0 IHAARN C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925187 556653622 /nfs/dbraw/zinc/65/36/22/556653622.db2.gz HYLBYTIDAZNFJZ-QGZVFWFLSA-N 0 0 426.476 3.526 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2ccccc2OC)cc1 ZINC000017057165 556654689 /nfs/dbraw/zinc/65/46/89/556654689.db2.gz BASPDKMFGXPUDG-LJQANCHMSA-N 0 0 437.525 3.945 50 0 IHAARN CCn1c2ccccc2nc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000033006487 556655635 /nfs/dbraw/zinc/65/56/35/556655635.db2.gz XZTYQMKFWNOADD-UHFFFAOYSA-N 0 0 442.972 3.511 50 0 IHAARN O=C(NCc1ccco1)C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000033010178 556658145 /nfs/dbraw/zinc/65/81/45/556658145.db2.gz XFLOKZLZPXJRAI-UHFFFAOYSA-N 0 0 436.903 3.571 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033011508 556659308 /nfs/dbraw/zinc/65/93/08/556659308.db2.gz RSEMJOFMCOGVQO-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN CCSc1nnc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)s1 ZINC000011835234 556659677 /nfs/dbraw/zinc/65/96/77/556659677.db2.gz CBMMJVCPSAMCSJ-UHFFFAOYSA-N 0 0 425.586 3.992 50 0 IHAARN COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645186 556659804 /nfs/dbraw/zinc/65/98/04/556659804.db2.gz GNHUVZUKAQJOMW-UHFFFAOYSA-N 0 0 444.417 3.978 50 0 IHAARN CCc1cc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2CC)s1 ZINC000017097611 556661991 /nfs/dbraw/zinc/66/19/91/556661991.db2.gz TZFDIKHFVJQRDZ-UHFFFAOYSA-N 0 0 431.543 3.501 50 0 IHAARN COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1 ZINC000011855625 556662119 /nfs/dbraw/zinc/66/21/19/556662119.db2.gz XOHRIAZLEKGNKH-UHFFFAOYSA-N 0 0 449.536 3.997 50 0 IHAARN CCN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CC1 ZINC000033013582 556662949 /nfs/dbraw/zinc/66/29/49/556662949.db2.gz LHCIDPPPSNLCRP-UHFFFAOYSA-N 0 0 441.988 3.844 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019077 556665779 /nfs/dbraw/zinc/66/57/79/556665779.db2.gz ADEWKNYVWYNFIG-LJQANCHMSA-N 0 0 429.524 3.814 50 0 IHAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000011866920 556667003 /nfs/dbraw/zinc/66/70/03/556667003.db2.gz WFOZOWBLYQCZSL-KBMIEXCESA-N 0 0 427.541 3.976 50 0 IHAARN CC(C)(C)c1ccc(CS(=O)(=O)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000032929867 556672869 /nfs/dbraw/zinc/67/28/69/556672869.db2.gz GKJDEWDISXIAKU-UHFFFAOYSA-N 0 0 449.370 3.870 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000011914675 556673863 /nfs/dbraw/zinc/67/38/63/556673863.db2.gz QBVIZOOKRXRYTL-HNNXBMFYSA-N 0 0 436.942 3.886 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914674 556673914 /nfs/dbraw/zinc/67/39/14/556673914.db2.gz QBVIZOOKRXRYTL-OAHLLOKOSA-N 0 0 436.942 3.886 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000011919038 556675097 /nfs/dbraw/zinc/67/50/97/556675097.db2.gz YVYPZJZNWFRERQ-UHFFFAOYSA-N 0 0 425.481 3.690 50 0 IHAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(Cl)cc3)n2)cc1 ZINC000011917032 556675310 /nfs/dbraw/zinc/67/53/10/556675310.db2.gz GEJAKATUKIBAAR-UHFFFAOYSA-N 0 0 437.843 3.587 50 0 IHAARN O=C(CS(=O)(=O)Cc1ccccc1)N(C[C@H]1CCCO1)c1nc2c(cccc2F)s1 ZINC000010620152 556675700 /nfs/dbraw/zinc/67/57/00/556675700.db2.gz KFPLKAFGWGPVFJ-MRXNPFEDSA-N 0 0 448.541 3.562 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccc2cnccc21 ZINC000032936938 556679105 /nfs/dbraw/zinc/67/91/05/556679105.db2.gz GTQFAIQMGKMJFE-UHFFFAOYSA-N 0 0 437.443 3.692 50 0 IHAARN CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000012001056 556679820 /nfs/dbraw/zinc/67/98/20/556679820.db2.gz ZUNVVQUTMNUKKO-UHFFFAOYSA-N 0 0 433.917 3.818 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325640 556680233 /nfs/dbraw/zinc/68/02/33/556680233.db2.gz MWCAIQCREJNRLO-IBGZPJMESA-N 0 0 439.537 3.869 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325639 556680249 /nfs/dbraw/zinc/68/02/49/556680249.db2.gz MWCAIQCREJNRLO-LJQANCHMSA-N 0 0 439.537 3.869 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 ZINC000012003568 556680253 /nfs/dbraw/zinc/68/02/53/556680253.db2.gz LCZRLEYVTJRMTM-UHFFFAOYSA-N 0 0 432.807 3.678 50 0 IHAARN O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018136391 556684767 /nfs/dbraw/zinc/68/47/67/556684767.db2.gz AWZUHBWIQAQXCG-GOSISDBHSA-N 0 0 437.849 3.813 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)Cc1ccncc1 ZINC000055358213 556685096 /nfs/dbraw/zinc/68/50/96/556685096.db2.gz OCOIXWNMQYHOJT-UHFFFAOYSA-N 0 0 426.586 3.725 50 0 IHAARN CSc1nc2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c2s1 ZINC000033020839 556685761 /nfs/dbraw/zinc/68/57/61/556685761.db2.gz ZKXWMRBAPREGKD-UHFFFAOYSA-N 0 0 434.852 3.886 50 0 IHAARN CCCc1c(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000071944639 556686063 /nfs/dbraw/zinc/68/60/63/556686063.db2.gz XWKSNBWCBNMSCX-HNNXBMFYSA-N 0 0 447.601 4.000 50 0 IHAARN Cc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)s1 ZINC000033022533 556687341 /nfs/dbraw/zinc/68/73/41/556687341.db2.gz LZYMUQFGYJLNPD-UHFFFAOYSA-N 0 0 435.553 3.678 50 0 IHAARN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000018244614 556687924 /nfs/dbraw/zinc/68/79/24/556687924.db2.gz WZAMISKCAKJUTA-WOJBJXKFSA-N 0 0 436.895 3.840 50 0 IHAARN COc1cccc(CNC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 ZINC000046009445 556690976 /nfs/dbraw/zinc/69/09/76/556690976.db2.gz VVCVFRHNJQBBLK-UHFFFAOYSA-N 0 0 432.480 4.000 50 0 IHAARN CS(=O)(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 ZINC000072313506 556693510 /nfs/dbraw/zinc/69/35/10/556693510.db2.gz WLCYLHFBMBHPAQ-UXHICEINSA-N 0 0 433.595 3.583 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000033024270 556694880 /nfs/dbraw/zinc/69/48/80/556694880.db2.gz OAIHWQJEJUXWOW-IBGZPJMESA-N 0 0 445.516 3.561 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC000013554571 556696964 /nfs/dbraw/zinc/69/69/64/556696964.db2.gz YTMHDBHVHWZHEI-UTKZUKDTSA-N 0 0 437.540 3.800 50 0 IHAARN COc1ccc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)cc1OC ZINC000033025648 556700782 /nfs/dbraw/zinc/70/07/82/556700782.db2.gz MCTNSSRJMKIPGW-UHFFFAOYSA-N 0 0 432.484 3.722 50 0 IHAARN COC(=O)c1ccc(C)cc1NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21 ZINC000033025712 556701461 /nfs/dbraw/zinc/70/14/61/556701461.db2.gz MPMGCOPKQMDAAT-UHFFFAOYSA-N 0 0 444.495 3.800 50 0 IHAARN N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013540898 556701492 /nfs/dbraw/zinc/70/14/92/556701492.db2.gz GUNDCJVNWMXBOG-FCHUYYIVSA-N 0 0 441.622 3.799 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019171285 556707536 /nfs/dbraw/zinc/70/75/36/556707536.db2.gz YOZPXADXKLIWKS-KSZLIROESA-N 0 0 435.833 3.894 50 0 IHAARN COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2F)c1 ZINC000072318870 556709335 /nfs/dbraw/zinc/70/93/35/556709335.db2.gz FDZZKGAZXJDZJL-NSHDSACASA-N 0 0 432.311 3.786 50 0 IHAARN CC[C@@H](C)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC ZINC000011130847 556710984 /nfs/dbraw/zinc/71/09/84/556710984.db2.gz GJJZAYNHGCAUPM-CQSZACIVSA-N 0 0 431.583 3.778 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 ZINC000011141027 556720238 /nfs/dbraw/zinc/72/02/38/556720238.db2.gz CYYUYMRVDXHXFB-HNNXBMFYSA-N 0 0 441.915 3.857 50 0 IHAARN CCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccc(C)cc4)c3NC(C)=O)cc2)CC1 ZINC000033037216 556721923 /nfs/dbraw/zinc/72/19/23/556721923.db2.gz XHQIRJHNDUHQDN-UHFFFAOYSA-N 0 0 445.567 3.892 50 0 IHAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC ZINC000061720276 556727688 /nfs/dbraw/zinc/72/76/88/556727688.db2.gz AVLSVUZUYBJDPZ-LIRRHRJNSA-N 0 0 425.510 3.780 50 0 IHAARN CCn1c(CSc2nnc(-c3cccs3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000011145207 556728879 /nfs/dbraw/zinc/72/88/79/556728879.db2.gz FZHNEJJNDYZOPN-UHFFFAOYSA-N 0 0 449.583 3.710 50 0 IHAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000101106468 556729831 /nfs/dbraw/zinc/72/98/31/556729831.db2.gz PXOBGQLVURFQNO-VSQKUCPKSA-N 0 0 437.290 3.538 50 0 IHAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)/C=C\c2ccc(-c3ccccc3)s2)cc1 ZINC000096307391 556731570 /nfs/dbraw/zinc/73/15/70/556731570.db2.gz ZCHZJZJEXZRWBB-OWBHPGMISA-N 0 0 434.517 3.899 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3cnccn3)CC2)c(F)c1 ZINC000055036610 556732282 /nfs/dbraw/zinc/73/22/82/556732282.db2.gz SZSGSYPQAWBKSZ-UHFFFAOYSA-N 0 0 444.514 3.799 50 0 IHAARN CCN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)CC1 ZINC000055060322 556732955 /nfs/dbraw/zinc/73/29/55/556732955.db2.gz BUTSRJQSONIAPO-UHFFFAOYSA-N 0 0 425.330 3.837 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccn2)n1CCCc1ccccc1 ZINC000055099388 556734673 /nfs/dbraw/zinc/73/46/73/556734673.db2.gz JQYLYBVZOMGYLS-LJQANCHMSA-N 0 0 426.586 3.898 50 0 IHAARN CN(Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)Cc1cccc(F)c1 ZINC000055168148 556736642 /nfs/dbraw/zinc/73/66/42/556736642.db2.gz ZEDLWAVNPSFHLP-HXUWFJFHSA-N 0 0 427.549 3.916 50 0 IHAARN CN(Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)Cc1cccc(F)c1 ZINC000055168145 556736706 /nfs/dbraw/zinc/73/67/06/556736706.db2.gz ZEDLWAVNPSFHLP-FQEVSTJZSA-N 0 0 427.549 3.916 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCN(c2nc(C)cnc2C)CC1 ZINC000055182553 556736965 /nfs/dbraw/zinc/73/69/65/556736965.db2.gz KAJKDYWWLUTQGG-UHFFFAOYSA-N 0 0 441.919 3.761 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(N4CCOCC4)n3CC(C)C)o2)cc1 ZINC000019353641 556744918 /nfs/dbraw/zinc/74/49/18/556744918.db2.gz UNZPSZKBRXNRTJ-OAHLLOKOSA-N 0 0 444.561 3.683 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(N4CCOCC4)n3CC(C)C)o2)cc1 ZINC000019353642 556745028 /nfs/dbraw/zinc/74/50/28/556745028.db2.gz UNZPSZKBRXNRTJ-HNNXBMFYSA-N 0 0 444.561 3.683 50 0 IHAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000019358493 556745654 /nfs/dbraw/zinc/74/56/54/556745654.db2.gz HMQRUVZRPYKCJS-GFCCVEGCSA-N 0 0 427.450 3.540 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCCN3CCCC3=O)cc1CC2 ZINC000033049006 556745808 /nfs/dbraw/zinc/74/58/08/556745808.db2.gz JMUPDZUFBPJLLO-UHFFFAOYSA-N 0 0 434.565 3.750 50 0 IHAARN COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCCC2)cc1-n1nnnc1C ZINC000060365385 556747516 /nfs/dbraw/zinc/74/75/16/556747516.db2.gz MFQXZRVQRYPIAU-UHFFFAOYSA-N 0 0 435.484 3.549 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(F)cc1F ZINC000057487110 556747803 /nfs/dbraw/zinc/74/78/03/556747803.db2.gz MJLJBQXHZIXQOR-UHFFFAOYSA-N 0 0 438.390 3.528 50 0 IHAARN CCc1cc2c(ncn(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)c2=O)s1 ZINC000057954209 556749885 /nfs/dbraw/zinc/74/98/85/556749885.db2.gz KLBWJVMYSPHWKB-UHFFFAOYSA-N 0 0 434.424 3.729 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1NC(=O)OC(C)(C)C ZINC000057991855 556750865 /nfs/dbraw/zinc/75/08/65/556750865.db2.gz CDEFTNHJGVVCHY-MRXNPFEDSA-N 0 0 446.548 3.909 50 0 IHAARN COc1ccc2c(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc(=O)oc2c1 ZINC000019386988 556752683 /nfs/dbraw/zinc/75/26/83/556752683.db2.gz LVVYQZKGVUGADH-UHFFFAOYSA-N 0 0 427.840 3.939 50 0 IHAARN CCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000058015963 556753992 /nfs/dbraw/zinc/75/39/92/556753992.db2.gz ZPWQQTULRHIRTC-UHFFFAOYSA-N 0 0 430.810 3.882 50 0 IHAARN O=C(NCc1cccnc1N1CCCCC1)Nc1cc2c(cc1Br)OCCO2 ZINC000058060454 556755914 /nfs/dbraw/zinc/75/59/14/556755914.db2.gz RIMMCDYMNPSBQU-UHFFFAOYSA-N 0 0 447.333 3.927 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1 ZINC000061894633 556762218 /nfs/dbraw/zinc/76/22/18/556762218.db2.gz XVJMYWRSNSCNSF-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000058160974 556764897 /nfs/dbraw/zinc/76/48/97/556764897.db2.gz UKBNGKMNMLJDEG-HXUWFJFHSA-N 0 0 429.904 3.987 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1OC ZINC000062006677 556764895 /nfs/dbraw/zinc/76/48/95/556764895.db2.gz OFKYUHPUTSNQIB-UHFFFAOYSA-N 0 0 426.494 3.801 50 0 IHAARN COc1ccc(-c2cn(CC(=O)NCc3ccc(C(F)(F)F)cc3)nc2N(C)C)cc1 ZINC000062006998 556765115 /nfs/dbraw/zinc/76/51/15/556765115.db2.gz KHPMGROUCIMJLD-UHFFFAOYSA-N 0 0 432.446 3.960 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 ZINC000062022876 556766320 /nfs/dbraw/zinc/76/63/20/556766320.db2.gz MXEPZBQFCPJUJS-CYBMUJFWSA-N 0 0 439.932 3.781 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2coc(NC(=O)c3cccs3)n2)CC1 ZINC000062023077 556766592 /nfs/dbraw/zinc/76/65/92/556766592.db2.gz SMPHGRWMBDHWEI-UHFFFAOYSA-N 0 0 430.917 3.913 50 0 IHAARN CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000058168342 556767370 /nfs/dbraw/zinc/76/73/70/556767370.db2.gz YAMJZKROHUSXRK-GOSISDBHSA-N 0 0 428.535 3.577 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000058170543 556767974 /nfs/dbraw/zinc/76/79/74/556767974.db2.gz PEENFIRLTZUOAD-HSZRJFAPSA-N 0 0 444.535 3.794 50 0 IHAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000058175102 556769179 /nfs/dbraw/zinc/76/91/79/556769179.db2.gz AYMRJRDJJQJWPU-LSDHHAIUSA-N 0 0 443.388 3.905 50 0 IHAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000058194352 556770242 /nfs/dbraw/zinc/77/02/42/556770242.db2.gz REMZBZSSXSWNJP-YVEFUNNKSA-N 0 0 431.514 3.603 50 0 IHAARN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058194021 556770300 /nfs/dbraw/zinc/77/03/00/556770300.db2.gz CFYNNNIOXCAVSD-IBGZPJMESA-N 0 0 449.473 3.639 50 0 IHAARN CC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)=NN1c1ccccc1 ZINC000058201813 556771159 /nfs/dbraw/zinc/77/11/59/556771159.db2.gz LQOXOKQAMOUZIA-IBGZPJMESA-N 0 0 448.504 3.744 50 0 IHAARN CCOC(=O)C(=Cc1cccc(O)c1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000058203160 556771708 /nfs/dbraw/zinc/77/17/08/556771708.db2.gz VQOPJNIKSAFZAF-LDADJPATSA-N 0 0 436.493 3.616 50 0 IHAARN O=S(=O)(N[C@@H](Cn1cncn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000058231548 556774323 /nfs/dbraw/zinc/77/43/23/556774323.db2.gz NLWALNUWPLSDRU-INIZCTEOSA-N 0 0 430.839 3.670 50 0 IHAARN CCOC(=O)[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccccc1Br ZINC000058268048 556776671 /nfs/dbraw/zinc/77/66/71/556776671.db2.gz YUWUBEAYVGHNAM-SFHVURJKSA-N 0 0 441.272 3.902 50 0 IHAARN CC(C)COC(=O)N1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000058311039 556779777 /nfs/dbraw/zinc/77/97/77/556779777.db2.gz WRBVBSCRMDVBBN-UHFFFAOYSA-N 0 0 429.542 3.941 50 0 IHAARN COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(-n3cncn3)nc2)cc1OC ZINC000058328360 556781252 /nfs/dbraw/zinc/78/12/52/556781252.db2.gz BALSLWLTGBRQEL-LJQANCHMSA-N 0 0 436.516 3.699 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 ZINC000058357197 556782616 /nfs/dbraw/zinc/78/26/16/556782616.db2.gz CJPRDKCNJWHISJ-NEPJUHHUSA-N 0 0 436.281 3.912 50 0 IHAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000058394200 556785431 /nfs/dbraw/zinc/78/54/31/556785431.db2.gz WWYLFJRAMXQNGS-ZDUSSCGKSA-N 0 0 448.306 3.815 50 0 IHAARN Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(F)cc1 ZINC000072401912 556801805 /nfs/dbraw/zinc/80/18/05/556801805.db2.gz GKTNRZBMKHIMDE-PLMLNFJUSA-N 0 0 448.545 3.891 50 0 IHAARN C[C@@H](NC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000005445402 556803849 /nfs/dbraw/zinc/80/38/49/556803849.db2.gz XGUZWURWQNRJTP-LFPRZYRFSA-N 0 0 425.595 3.605 50 0 IHAARN CC[C@]1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2)CCC(=O)NC1=O ZINC000059988775 556805831 /nfs/dbraw/zinc/80/58/31/556805831.db2.gz ANNODHLJBDHLCX-XMMPIXPASA-N 0 0 434.471 3.657 50 0 IHAARN O=C(NCCc1ccc(F)cc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061717769 556811102 /nfs/dbraw/zinc/81/11/02/556811102.db2.gz OJCGINWLQQSNAQ-UHFFFAOYSA-N 0 0 444.514 3.506 50 0 IHAARN CC(C)(C)c1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(C(C)(C)C)c1O ZINC000003429459 556815268 /nfs/dbraw/zinc/81/52/68/556815268.db2.gz JQABAGJCMIUDIE-UHFFFAOYSA-N 0 0 446.613 3.884 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003448686 556815750 /nfs/dbraw/zinc/81/57/50/556815750.db2.gz AFKOYLFCIASHIF-UHFFFAOYSA-N 0 0 444.336 3.680 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CSc1ccccc1C ZINC000060388030 556817494 /nfs/dbraw/zinc/81/74/94/556817494.db2.gz SGMKGIGMDKEEEV-SFHVURJKSA-N 0 0 429.538 3.793 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1OC ZINC000033068133 556820855 /nfs/dbraw/zinc/82/08/55/556820855.db2.gz XLYBYKNAUPLDDA-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN COc1ccc(OC)c(C=CC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 ZINC000006280713 556831094 /nfs/dbraw/zinc/83/10/94/556831094.db2.gz FZJIGBVYQJAHKC-OSICKASQSA-N 0 0 427.497 3.740 50 0 IHAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccs4)ccc3C[C@H]2C)cc1 ZINC000065003367 556831501 /nfs/dbraw/zinc/83/15/01/556831501.db2.gz NJJCZBRUPSWSFM-OAHLLOKOSA-N 0 0 442.562 3.827 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2cccnc2)cc3=O)cc1 ZINC000065305028 556832975 /nfs/dbraw/zinc/83/29/75/556832975.db2.gz WMPSWZSUIXRZGG-UHFFFAOYSA-N 0 0 439.475 3.749 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nc(C)n2)n1 ZINC000065362076 556834040 /nfs/dbraw/zinc/83/40/40/556834040.db2.gz COFAYEIIHSGUIC-UHFFFAOYSA-N 0 0 443.914 3.734 50 0 IHAARN COc1ccccc1/C=C/c1nn2c(CN3CCN(c4ccccc4)CC3)nnc2s1 ZINC000065361792 556834093 /nfs/dbraw/zinc/83/40/93/556834093.db2.gz BBDXBKLIPJSXFO-VAWYXSNFSA-N 0 0 432.553 3.687 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)n1 ZINC000065362646 556834611 /nfs/dbraw/zinc/83/46/11/556834611.db2.gz AZFYKISAFMAHSI-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN COc1ccc(CCOC(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)cc1 ZINC000062580821 556836358 /nfs/dbraw/zinc/83/63/58/556836358.db2.gz KSBCVIGLVYOISS-JOCHJYFZSA-N 0 0 438.549 3.881 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3ccccc3O)CC2)sc2c1CC[C@@H](C)C2 ZINC000019643940 556838828 /nfs/dbraw/zinc/83/88/28/556838828.db2.gz XMODEEIXRMXHCM-CQSZACIVSA-N 0 0 445.610 3.884 50 0 IHAARN COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cccs3)nc21 ZINC000022997839 556838852 /nfs/dbraw/zinc/83/88/52/556838852.db2.gz HVPXUQQHUHFJOH-UHFFFAOYSA-N 0 0 447.582 3.744 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1NC(C)=O ZINC000019682768 556841818 /nfs/dbraw/zinc/84/18/18/556841818.db2.gz SWKHHSXTMXPNFH-UHFFFAOYSA-N 0 0 425.553 3.900 50 0 IHAARN COc1cc2ccccc2cc1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000097674646 556847385 /nfs/dbraw/zinc/84/73/85/556847385.db2.gz GTKAYEHZYDTRQI-RGVLZGJSSA-N 0 0 433.489 3.710 50 0 IHAARN COc1ccc(N2C[C@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)OC2=O)cc1OC ZINC000008868448 556851545 /nfs/dbraw/zinc/85/15/45/556851545.db2.gz YTCUYLRYXYQONQ-HNNXBMFYSA-N 0 0 439.390 3.870 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 ZINC000008977183 556852229 /nfs/dbraw/zinc/85/22/29/556852229.db2.gz RPPNOMAHHRXJHD-UHFFFAOYSA-N 0 0 426.494 3.678 50 0 IHAARN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000033077457 556854570 /nfs/dbraw/zinc/85/45/70/556854570.db2.gz ZVLIHZSENHPYDJ-UHFFFAOYSA-N 0 0 428.554 3.643 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2c1 ZINC000033088032 556855796 /nfs/dbraw/zinc/85/57/96/556855796.db2.gz YMZVULWSWZFLKZ-UHFFFAOYSA-N 0 0 439.943 3.765 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)s1 ZINC000033113186 556859982 /nfs/dbraw/zinc/85/99/82/556859982.db2.gz FGXUIYWSSOTEAU-BBRMVZONSA-N 0 0 449.964 3.512 50 0 IHAARN COc1ccc(C)cc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033122538 556863654 /nfs/dbraw/zinc/86/36/54/556863654.db2.gz PUURSYJHAPITQC-UHFFFAOYSA-N 0 0 437.949 3.632 50 0 IHAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3C)CC2)cc1 ZINC000033122665 556863702 /nfs/dbraw/zinc/86/37/02/556863702.db2.gz KXBXDSLHMJIKCW-UHFFFAOYSA-N 0 0 437.949 3.632 50 0 IHAARN CSc1ccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)cc1 ZINC000033128633 556865680 /nfs/dbraw/zinc/86/56/80/556865680.db2.gz UAVJCJUIXRQSCY-UHFFFAOYSA-N 0 0 438.484 3.619 50 0 IHAARN CCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019706897 556865761 /nfs/dbraw/zinc/86/57/61/556865761.db2.gz ODHKSBNNBIEQFB-UHFFFAOYSA-N 0 0 428.562 3.534 50 0 IHAARN Cc1ccc(-n2nc(OCC(=O)Nc3ccc(Br)cc3)ccc2=O)cc1C ZINC000033125171 556866202 /nfs/dbraw/zinc/86/62/02/556866202.db2.gz NSPIODQESIHPDE-UHFFFAOYSA-N 0 0 428.286 3.629 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000033124944 556866231 /nfs/dbraw/zinc/86/62/31/556866231.db2.gz BODPTOPBSLBTOF-ZDUSSCGKSA-N 0 0 446.276 3.849 50 0 IHAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C(C)C)C3 ZINC000019708305 556868726 /nfs/dbraw/zinc/86/87/26/556868726.db2.gz ZETZPEAMVOKIBX-UHFFFAOYSA-N 0 0 443.594 3.869 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129748 556868952 /nfs/dbraw/zinc/86/89/52/556868952.db2.gz QKTOPBSTDLBOJZ-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131465 556871990 /nfs/dbraw/zinc/87/19/90/556871990.db2.gz QKBCMROJCSFRTG-UHFFFAOYSA-N 0 0 429.007 3.698 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cscn1)c1ccccc1C(F)(F)F ZINC000033138888 556872868 /nfs/dbraw/zinc/87/28/68/556872868.db2.gz MEVCXPLJGVDQSV-GOSISDBHSA-N 0 0 433.455 3.819 50 0 IHAARN COc1ccccc1OCCNC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141988 556877385 /nfs/dbraw/zinc/87/73/85/556877385.db2.gz QMNYKBBIKBAHGP-UHFFFAOYSA-N 0 0 448.523 3.689 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccccc2C)cc1 ZINC000033171054 556882125 /nfs/dbraw/zinc/88/21/25/556882125.db2.gz RXJJQRHALGZRLM-RAXLEYEMSA-N 0 0 425.510 3.899 50 0 IHAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc2ccccc21 ZINC000033169641 556884685 /nfs/dbraw/zinc/88/46/85/556884685.db2.gz ACXDRFYOEQCCKG-UHFFFAOYSA-N 0 0 443.910 3.999 50 0 IHAARN O=C(NC1CCCCCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033170022 556885189 /nfs/dbraw/zinc/88/51/89/556885189.db2.gz FXXSIFCQBAHQCL-UHFFFAOYSA-N 0 0 446.573 3.754 50 0 IHAARN CSc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1 ZINC000033170493 556885955 /nfs/dbraw/zinc/88/59/55/556885955.db2.gz CCJVYDDGVMWFPE-UHFFFAOYSA-N 0 0 446.532 3.912 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000033170576 556886099 /nfs/dbraw/zinc/88/60/99/556886099.db2.gz QFHVVANHRXDREQ-QXMHVHEDSA-N 0 0 439.537 3.941 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000019743940 556889197 /nfs/dbraw/zinc/88/91/97/556889197.db2.gz FYHNUJZFJUWNJX-OAQYLSRUSA-N 0 0 435.572 3.763 50 0 IHAARN CCN(CC)C(=O)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000033249459 556889292 /nfs/dbraw/zinc/88/92/92/556889292.db2.gz DHPXMVOYVTWQLY-UHFFFAOYSA-N 0 0 446.500 3.706 50 0 IHAARN CCOc1ccc(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000033254585 556890867 /nfs/dbraw/zinc/89/08/67/556890867.db2.gz SYDQVLOVBFOBIX-UHFFFAOYSA-N 0 0 444.597 3.543 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 ZINC000033250863 556891625 /nfs/dbraw/zinc/89/16/25/556891625.db2.gz GFLATUNDNHQANY-CTDFXDFQSA-N 0 0 445.585 3.697 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 ZINC000033250864 556891724 /nfs/dbraw/zinc/89/17/24/556891724.db2.gz GFLATUNDNHQANY-CFGKVWFZSA-N 0 0 445.585 3.697 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccncc4)cc3nc2N2CCCC2)cc1 ZINC000033251259 556892042 /nfs/dbraw/zinc/89/20/42/556892042.db2.gz CBBLTJCAAPCDMT-UHFFFAOYSA-N 0 0 439.519 3.619 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000033251892 556892304 /nfs/dbraw/zinc/89/23/04/556892304.db2.gz NSJKRHLNIKBGFZ-KRWDZBQOSA-N 0 0 441.322 3.770 50 0 IHAARN Cn1c(CCc2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)nc2ccccc21 ZINC000033261458 556900411 /nfs/dbraw/zinc/90/04/11/556900411.db2.gz GGORXTYVBKJFFX-UHFFFAOYSA-N 0 0 440.503 3.723 50 0 IHAARN O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000019794658 556915958 /nfs/dbraw/zinc/91/59/58/556915958.db2.gz KLZSYBGVKVFLLQ-IBGZPJMESA-N 0 0 446.507 3.660 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2C)cc1 ZINC000019799395 556917006 /nfs/dbraw/zinc/91/70/06/556917006.db2.gz PMOJWTLYWWVPKN-JOCHJYFZSA-N 0 0 429.476 4.000 50 0 IHAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000019811392 556919052 /nfs/dbraw/zinc/91/90/52/556919052.db2.gz FQUMUROXHFNPAT-YADHBBJMSA-N 0 0 428.941 3.900 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCC1)c1ccc(-c2ccsc2)nc1N1CCCC1 ZINC000019841612 556929750 /nfs/dbraw/zinc/92/97/50/556929750.db2.gz WWHKRDOPJUQAMO-UHFFFAOYSA-N 0 0 440.613 3.785 50 0 IHAARN CN1CCN(C(=O)CSc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 ZINC000019849602 556930421 /nfs/dbraw/zinc/93/04/21/556930421.db2.gz REJFGHCHPMUBQG-UHFFFAOYSA-N 0 0 427.957 3.715 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857492 556931406 /nfs/dbraw/zinc/93/14/06/556931406.db2.gz OYWYLQNPTIAJTP-MRXNPFEDSA-N 0 0 426.460 3.886 50 0 IHAARN C[C@H](CC(=O)N1CCCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019878039 556936108 /nfs/dbraw/zinc/93/61/08/556936108.db2.gz SRCQRVMJPQYTQT-JOCHJYFZSA-N 0 0 433.596 3.959 50 0 IHAARN COc1ccc(OC)c(CN2CCN(Cc3cc(Br)ccc3OC)CC2)c1 ZINC000019889498 556938805 /nfs/dbraw/zinc/93/88/05/556938805.db2.gz JXZYNJUALVQWAS-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc21 ZINC000020005387 556958208 /nfs/dbraw/zinc/95/82/08/556958208.db2.gz ICJVGRKXNIDICO-UHFFFAOYSA-N 0 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ZINC000020136062 556988346 /nfs/dbraw/zinc/98/83/46/556988346.db2.gz XSGWVQOGVLJGQF-GOSISDBHSA-N 0 0 441.597 3.998 50 0 IHAARN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)o1 ZINC000077010577 556995570 /nfs/dbraw/zinc/99/55/70/556995570.db2.gz RGMWJXFFYIJTSL-OAQYLSRUSA-N 0 0 434.540 3.507 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000010677490 556997329 /nfs/dbraw/zinc/99/73/29/556997329.db2.gz KYBNIUBMDJCEJD-UHFFFAOYSA-N 0 0 429.476 3.505 50 0 IHAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000020228807 557001262 /nfs/dbraw/zinc/00/12/62/557001262.db2.gz VYFSOVUOSDBPPG-UHFFFAOYSA-N 0 0 435.549 3.807 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)c1 ZINC000023109039 557003686 /nfs/dbraw/zinc/00/36/86/557003686.db2.gz NSNLCDQGDJHLCX-UHFFFAOYSA-N 0 0 449.536 3.914 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCN(C)C3 ZINC000020267458 557004798 /nfs/dbraw/zinc/00/47/98/557004798.db2.gz YPWGSHNYWIQSOA-UHFFFAOYSA-N 0 0 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ZINC000010707345 557019490 /nfs/dbraw/zinc/01/94/90/557019490.db2.gz SZCOIZBXEAQOAC-UHFFFAOYSA-N 0 0 439.581 3.805 50 0 IHAARN Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000010708415 557019496 /nfs/dbraw/zinc/01/94/96/557019496.db2.gz HMELBZJKYNWUBE-UHFFFAOYSA-N 0 0 441.380 3.768 50 0 IHAARN COc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)c(OC)c1 ZINC000023138244 557021415 /nfs/dbraw/zinc/02/14/15/557021415.db2.gz OIKLSRRWMFZSJE-UHFFFAOYSA-N 0 0 445.928 3.914 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010737425 557022357 /nfs/dbraw/zinc/02/23/57/557022357.db2.gz KZDZOFRFWSSHAD-UHFFFAOYSA-N 0 0 434.521 3.576 50 0 IHAARN O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)OCc1ccccc1 ZINC000023140131 557022691 /nfs/dbraw/zinc/02/26/91/557022691.db2.gz SWOCIUQXOXAFLP-UHFFFAOYSA-N 0 0 426.567 3.700 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc(OC)c1 ZINC000032944014 557022823 /nfs/dbraw/zinc/02/28/23/557022823.db2.gz BXVIXPVQMXSXRK-CYBMUJFWSA-N 0 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ZINC000023142689 557025060 /nfs/dbraw/zinc/02/50/60/557025060.db2.gz OJTYCTPXPCPUBL-QGZVFWFLSA-N 0 0 432.480 3.736 50 0 IHAARN COc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCO5)C3)nn2)cc1 ZINC000023142692 557025077 /nfs/dbraw/zinc/02/50/77/557025077.db2.gz OJTYCTPXPCPUBL-KRWDZBQOSA-N 0 0 432.480 3.736 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023145203 557026900 /nfs/dbraw/zinc/02/69/00/557026900.db2.gz KMLFGZXHSLMFCL-UHFFFAOYSA-N 0 0 428.539 3.950 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000046053704 557026977 /nfs/dbraw/zinc/02/69/77/557026977.db2.gz FMEXRGIRRLRLSN-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)OC)n(Cc1ccccc1Cl)c2=O ZINC000010783874 557027164 /nfs/dbraw/zinc/02/71/64/557027164.db2.gz VGDBMEAFOIHCMV-LBPRGKRZSA-N 0 0 446.912 3.538 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1ccccc1C(F)(F)F ZINC000046047349 557028116 /nfs/dbraw/zinc/02/81/16/557028116.db2.gz LTUBDOPDXMPXMH-UHFFFAOYSA-N 0 0 445.426 3.630 50 0 IHAARN NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153832 557028577 /nfs/dbraw/zinc/02/85/77/557028577.db2.gz RXWCOPTVYHKGFE-UHFFFAOYSA-N 0 0 435.549 3.813 50 0 IHAARN COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)cc1OC ZINC000046057116 557028816 /nfs/dbraw/zinc/02/88/16/557028816.db2.gz XBMDMIULKTZGAF-AWEZNQCLSA-N 0 0 427.407 3.785 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074561 557030745 /nfs/dbraw/zinc/03/07/45/557030745.db2.gz FIPDWYPTDXFUOB-OAHLLOKOSA-N 0 0 440.912 3.780 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000046123131 557036898 /nfs/dbraw/zinc/03/68/98/557036898.db2.gz KTVPADMZWIMNFR-HNNXBMFYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000046124823 557037514 /nfs/dbraw/zinc/03/75/14/557037514.db2.gz JKLVUMGLNNDSCN-INIZCTEOSA-N 0 0 442.566 3.667 50 0 IHAARN CCn1c2cc(NC(=O)CC(C)C)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145879 557044275 /nfs/dbraw/zinc/04/42/75/557044275.db2.gz ASLSXZMRIIJQEH-UHFFFAOYSA-N 0 0 429.542 3.660 50 0 IHAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000010869139 557044520 /nfs/dbraw/zinc/04/45/20/557044520.db2.gz NTSVUZJHURCGER-XBXARRHUSA-N 0 0 438.249 3.801 50 0 IHAARN CCn1c2cc(NC(=O)C(C)C)c(S(=O)(=O)c3ccc(C)cc3)cc2n(CC)c1=O ZINC000046146296 557044539 /nfs/dbraw/zinc/04/45/39/557044539.db2.gz CJEXTQAUXCZRIS-UHFFFAOYSA-N 0 0 429.542 3.579 50 0 IHAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000048248683 557048104 /nfs/dbraw/zinc/04/81/04/557048104.db2.gz YOFKETGIYYHSAN-CALCHBBNSA-N 0 0 425.554 3.871 50 0 IHAARN COC(=O)c1cc(CN(C)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)oc1C ZINC000048262065 557049487 /nfs/dbraw/zinc/04/94/87/557049487.db2.gz TUXHZZROGGMSMM-QFIPXVFZSA-N 0 0 448.475 3.589 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1C ZINC000022931226 557050185 /nfs/dbraw/zinc/05/01/85/557050185.db2.gz KUJXGPNGIOGRMO-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN COc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022931309 557050189 /nfs/dbraw/zinc/05/01/89/557050189.db2.gz RARPOBHDDVSASG-UHFFFAOYSA-N 0 0 438.391 3.666 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCN(C)CC2)o1 ZINC000022938479 557053313 /nfs/dbraw/zinc/05/33/13/557053313.db2.gz VASFEFNQZBFEMO-IBGZPJMESA-N 0 0 428.920 3.615 50 0 IHAARN CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1OC ZINC000017315415 557053575 /nfs/dbraw/zinc/05/35/75/557053575.db2.gz OBALGUZWTPNJIG-UHFFFAOYSA-N 0 0 443.525 3.712 50 0 IHAARN CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@H]3C(=O)N3CCCC3)n2)cc1 ZINC000048289787 557054726 /nfs/dbraw/zinc/05/47/26/557054726.db2.gz AOMDAFNAFWEUPB-QFIPXVFZSA-N 0 0 432.524 3.685 50 0 IHAARN CC(C)NC(=O)c1ccc2c(c1)nc(CN(C)S(=O)(=O)c1ccc(C(C)C)cc1)n2C ZINC000033275930 557055698 /nfs/dbraw/zinc/05/56/98/557055698.db2.gz PUEHYDXNWGKQRB-UHFFFAOYSA-N 0 0 442.585 3.656 50 0 IHAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000023003031 557056812 /nfs/dbraw/zinc/05/68/12/557056812.db2.gz LYYIJLURGZNICU-UHFFFAOYSA-N 0 0 449.536 3.865 50 0 IHAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3ccccc3)c1)NC(=O)CCC2=O ZINC000033276700 557057419 /nfs/dbraw/zinc/05/74/19/557057419.db2.gz IDXOZFQCIDMDJV-UHFFFAOYSA-N 0 0 438.509 3.594 50 0 IHAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000017317038 557057574 /nfs/dbraw/zinc/05/75/74/557057574.db2.gz PWMPMXXUXXPNHX-UHFFFAOYSA-N 0 0 427.508 3.987 50 0 IHAARN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000048285560 557057783 /nfs/dbraw/zinc/05/77/83/557057783.db2.gz JFYNGXPTUCREBZ-QGZVFWFLSA-N 0 0 434.414 3.570 50 0 IHAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023023413 557058027 /nfs/dbraw/zinc/05/80/27/557058027.db2.gz GTHIDRQYISSENG-QGZVFWFLSA-N 0 0 440.487 3.996 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000023038620 557058443 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50 0 IHAARN O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1cccc(Br)c1 ZINC000033287342 557064282 /nfs/dbraw/zinc/06/42/82/557064282.db2.gz XPKSRNZMHQTKEX-UHFFFAOYSA-N 0 0 441.329 3.788 50 0 IHAARN COc1ccc(CCC(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000048325222 557065999 /nfs/dbraw/zinc/06/59/99/557065999.db2.gz ODZYQDZVYZRMBS-RTBURBONSA-N 0 0 426.557 3.562 50 0 IHAARN CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc21 ZINC000048312643 557066980 /nfs/dbraw/zinc/06/69/80/557066980.db2.gz FHQAOCPGULTRNP-UHFFFAOYSA-N 0 0 438.509 3.591 50 0 IHAARN C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C[C@@H](C)O1 ZINC000048333847 557068405 /nfs/dbraw/zinc/06/84/05/557068405.db2.gz HRSSLTNLZGNDLV-IAGOWNOFSA-N 0 0 434.556 3.742 50 0 IHAARN O=C1C[C@@H](N2CCN(/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000051364633 557068411 /nfs/dbraw/zinc/06/84/11/557068411.db2.gz NGDBTUSTPWCBRK-ROUKRRSUSA-N 0 0 430.335 3.914 50 0 IHAARN O=C(C1CCN(c2ncnc3c4ccccc4oc32)CC1)N1CCN(c2ccccc2)CC1 ZINC000033290445 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ZINC000049405816 557100956 /nfs/dbraw/zinc/10/09/56/557100956.db2.gz SJIYUCVRBIUQKM-UHFFFAOYSA-N 0 0 431.540 3.599 50 0 IHAARN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc2ccccc2n1 ZINC000049406719 557102173 /nfs/dbraw/zinc/10/21/73/557102173.db2.gz UUJNQBVZXUADEC-UHFFFAOYSA-N 0 0 425.492 3.660 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(OC)cc3)cn21 ZINC000049408351 557103135 /nfs/dbraw/zinc/10/31/35/557103135.db2.gz WLPNMSKQVAPLJN-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1F ZINC000049408546 557103345 /nfs/dbraw/zinc/10/33/45/557103345.db2.gz VBESGIDKEFQLGC-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)c1 ZINC000049409656 557104679 /nfs/dbraw/zinc/10/46/79/557104679.db2.gz YQBJDIPCVQNIQT-LJQANCHMSA-N 0 0 448.571 3.699 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)c1 ZINC000033320956 557104860 /nfs/dbraw/zinc/10/48/60/557104860.db2.gz 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3.502 50 0 IHAARN CSc1cccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000024223987 557141421 /nfs/dbraw/zinc/14/14/21/557141421.db2.gz GHHFVVPOAFOKKD-UHFFFAOYSA-N 0 0 427.526 3.834 50 0 IHAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)nn12 ZINC000004125379 557141660 /nfs/dbraw/zinc/14/16/60/557141660.db2.gz IPQWSUYBGZDYOR-UHFFFAOYSA-N 0 0 440.529 3.990 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)OCc2cc3c(cc2Br)OCCO3)cc1 ZINC000011406843 557142227 /nfs/dbraw/zinc/14/22/27/557142227.db2.gz IVHPYOPDJMNLKZ-UHFFFAOYSA-N 0 0 435.270 3.935 50 0 IHAARN CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004764096 557142737 /nfs/dbraw/zinc/14/27/37/557142737.db2.gz YYSYPZWUKZYOPJ-WIYYLYMNSA-N 0 0 426.513 3.576 50 0 IHAARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O ZINC000011418698 557143507 /nfs/dbraw/zinc/14/35/07/557143507.db2.gz UCLYQAQATPVLQZ-HNNXBMFYSA-N 0 0 441.915 3.775 50 0 IHAARN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000024376008 557145772 /nfs/dbraw/zinc/14/57/72/557145772.db2.gz MUKLVMQYUWKVCI-HNNXBMFYSA-N 0 0 447.782 3.692 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)Cc3ccsc3)cc2)cc1 ZINC000024383851 557146151 /nfs/dbraw/zinc/14/61/51/557146151.db2.gz GRHPTUACEBMMEG-UHFFFAOYSA-N 0 0 444.578 3.919 50 0 IHAARN Cc1cc(Br)c(OCC(=O)Nc2sccc2C(N)=O)c(Br)c1 ZINC000024423986 557146334 /nfs/dbraw/zinc/14/63/34/557146334.db2.gz OVXNNBFSBMBKIM-UHFFFAOYSA-N 0 0 448.136 3.698 50 0 IHAARN COC(=O)c1cccc(S(=O)(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)c1 ZINC000024468220 557147691 /nfs/dbraw/zinc/14/76/91/557147691.db2.gz VUEFAZHBEOCRGN-UHFFFAOYSA-N 0 0 447.553 3.524 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450372 557149093 /nfs/dbraw/zinc/14/90/93/557149093.db2.gz MFNVTQXWRUQBNF-UHFFFAOYSA-N 0 0 444.578 3.910 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C ZINC000072288897 557150083 /nfs/dbraw/zinc/15/00/83/557150083.db2.gz IKYYCSWXQPEQTI-FAMPUKIQSA-N 0 0 434.584 3.958 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011461453 557151898 /nfs/dbraw/zinc/15/18/98/557151898.db2.gz ZHPDKOJIWBUSMO-LJQANCHMSA-N 0 0 431.414 3.881 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000024576517 557151839 /nfs/dbraw/zinc/15/18/39/557151839.db2.gz ZCIBRTNFITWCKX-HZPDHXFCSA-N 0 0 427.530 3.792 50 0 IHAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@H]1CCCCO1 ZINC000024602034 557152877 /nfs/dbraw/zinc/15/28/77/557152877.db2.gz FBPQRLSJHHEMJC-OAHLLOKOSA-N 0 0 431.583 3.588 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024608641 557153994 /nfs/dbraw/zinc/15/39/94/557153994.db2.gz COYPYTSQGQXYLO-UHFFFAOYSA-N 0 0 436.961 3.919 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000024608985 557154308 /nfs/dbraw/zinc/15/43/08/557154308.db2.gz GXGWUWOWPMFTQI-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSc3ccc(C)cc3)CC2)cc1 ZINC000024609206 557154338 /nfs/dbraw/zinc/15/43/38/557154338.db2.gz KBHJXDIGFCHHCO-UHFFFAOYSA-N 0 0 446.638 3.754 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609996 557154497 /nfs/dbraw/zinc/15/44/97/557154497.db2.gz PSPRUFOZDXWZAV-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSC3CCCCC3)CC2)c1 ZINC000024611911 557155143 /nfs/dbraw/zinc/15/51/43/557155143.db2.gz QELUBFINHZFHJS-UHFFFAOYSA-N 0 0 438.659 3.719 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000024613573 557156074 /nfs/dbraw/zinc/15/60/74/557156074.db2.gz YOBSDBXSXHPURO-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN O=C(N[C@@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000095100040 557156165 /nfs/dbraw/zinc/15/61/65/557156165.db2.gz ZQSMOXRTFRRYER-IBGZPJMESA-N 0 0 426.775 3.931 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000095531861 557157926 /nfs/dbraw/zinc/15/79/26/557157926.db2.gz GKBURKNMMIOUNU-HJKZNEBBSA-N 0 0 447.579 3.828 50 0 IHAARN CC(=O)N(C)[C@H](c1nnnn1C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000016949780 557158416 /nfs/dbraw/zinc/15/84/16/557158416.db2.gz ZARHDZFHGZCMNX-DEOSSOPVSA-N 0 0 441.491 3.607 50 0 IHAARN CCc1sc2nc(SCCN3CCOC3=O)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000024746627 557161294 /nfs/dbraw/zinc/16/12/94/557161294.db2.gz UJDPFTMKWLZBCS-UHFFFAOYSA-N 0 0 445.566 3.871 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000024748992 557162107 /nfs/dbraw/zinc/16/21/07/557162107.db2.gz ZCMFUKFTIJDTLY-ICSVULDUSA-N 0 0 448.611 3.905 50 0 IHAARN CCOc1cc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F ZINC000024770676 557165557 /nfs/dbraw/zinc/16/55/57/557165557.db2.gz FDMVCVKXKDPXQJ-UHFFFAOYSA-N 0 0 433.407 3.806 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000024841390 557167910 /nfs/dbraw/zinc/16/79/10/557167910.db2.gz JMRHDYOLKMFNAY-CVEARBPZSA-N 0 0 442.947 3.671 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1csc(-c2ccco2)n1 ZINC000024823811 557169138 /nfs/dbraw/zinc/16/91/38/557169138.db2.gz VKYJMETXRFRLMA-UHFFFAOYSA-N 0 0 434.315 3.771 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000024843605 557173908 /nfs/dbraw/zinc/17/39/08/557173908.db2.gz XLFVGRDFTNSGKF-IRXDYDNUSA-N 0 0 445.519 3.646 50 0 IHAARN CCc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3cc4cccc(OC)c4o3)n2C)s1 ZINC000008884750 557177718 /nfs/dbraw/zinc/17/77/18/557177718.db2.gz RJZGEQLMEFGZNA-JTQLQIEISA-N 0 0 444.542 3.770 50 0 IHAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000024925722 557179683 /nfs/dbraw/zinc/17/96/83/557179683.db2.gz AFSQFAAAZOXAFX-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1cccc(F)c1 ZINC000097986010 557182484 /nfs/dbraw/zinc/18/24/84/557182484.db2.gz VHHISWVNHQFJBG-MHWRWJLKSA-N 0 0 436.411 3.893 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1C ZINC000024962666 557182773 /nfs/dbraw/zinc/18/27/73/557182773.db2.gz WHYIATHYLOWJKK-OAHLLOKOSA-N 0 0 447.568 3.689 50 0 IHAARN COc1cccc(-c2noc(COC(=O)c3ccccc3I)n2)c1 ZINC000024964441 557183104 /nfs/dbraw/zinc/18/31/04/557183104.db2.gz NRMLDTWPUSWXFD-UHFFFAOYSA-N 0 0 436.205 3.707 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1OC ZINC000009289929 557183661 /nfs/dbraw/zinc/18/36/61/557183661.db2.gz UHTVDGNYKAYAFD-LBPRGKRZSA-N 0 0 433.559 3.692 50 0 IHAARN COc1cc(C)c(C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1C ZINC000009290102 557183672 /nfs/dbraw/zinc/18/36/72/557183672.db2.gz BMGHBBHDMYIMPN-UHFFFAOYSA-N 0 0 438.553 3.654 50 0 IHAARN CC(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 ZINC000024969811 557183767 /nfs/dbraw/zinc/18/37/67/557183767.db2.gz AVVZJLQLJPAMGJ-HSZRJFAPSA-N 0 0 436.531 3.765 50 0 IHAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3F)n2C)cc1 ZINC000009263541 557184908 /nfs/dbraw/zinc/18/49/08/557184908.db2.gz ZOBLFRSWINGDEV-UHFFFAOYSA-N 0 0 436.896 3.926 50 0 IHAARN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)oc21 ZINC000024990048 557187389 /nfs/dbraw/zinc/18/73/89/557187389.db2.gz CWRAWTSHMSRZGC-ZDUSSCGKSA-N 0 0 432.498 3.838 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(Cl)c3n2C)cc1 ZINC000100821280 557187891 /nfs/dbraw/zinc/18/78/91/557187891.db2.gz BQBRKEVUCOZUFY-XUTLUUPISA-N 0 0 437.974 3.665 50 0 IHAARN Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C)c2c1C ZINC000100821310 557187895 /nfs/dbraw/zinc/18/78/95/557187895.db2.gz VLBDZPAVARKGOY-GHVJWSGMSA-N 0 0 443.594 3.772 50 0 IHAARN Cc1csc(=O)n1CCCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000025018014 557189728 /nfs/dbraw/zinc/18/97/28/557189728.db2.gz DYIIMMMPHIGCEI-UHFFFAOYSA-N 0 0 439.493 3.618 50 0 IHAARN O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100830988 557190704 /nfs/dbraw/zinc/19/07/04/557190704.db2.gz INAZODZJDLWUPH-HIFRSBDPSA-N 0 0 439.187 3.760 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cccc(O)c1 ZINC000009615136 557192190 /nfs/dbraw/zinc/19/21/90/557192190.db2.gz KBYMQDVFYLBARF-UHFFFAOYSA-N 0 0 439.541 3.532 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000025143040 557196461 /nfs/dbraw/zinc/19/64/61/557196461.db2.gz AWQTVUNPKWFFHM-QHCPKHFHSA-N 0 0 427.508 3.592 50 0 IHAARN COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000000794034 557200470 /nfs/dbraw/zinc/20/04/70/557200470.db2.gz ISWCTMBNROBZQV-GOSISDBHSA-N 0 0 428.535 3.511 50 0 IHAARN COc1ccc2c(c1)[C@@H](N(CC(=O)NCCCOC(C)C)Cc1ccccc1)CCO2 ZINC000072296473 557201558 /nfs/dbraw/zinc/20/15/58/557201558.db2.gz CPIVUETWCVOSTO-QHCPKHFHSA-N 0 0 426.557 3.952 50 0 IHAARN Cc1ccccc1[C@@H](OC[C@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 ZINC000025265819 557201824 /nfs/dbraw/zinc/20/18/24/557201824.db2.gz DQMGHLXEJCVLEK-IBVKSMDESA-N 0 0 429.520 3.540 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000025272635 557202121 /nfs/dbraw/zinc/20/21/21/557202121.db2.gz LIWHNLPWLGBDOJ-UHFFFAOYSA-N 0 0 442.566 3.638 50 0 IHAARN COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(OC)cc1Cl ZINC000000794860 557203000 /nfs/dbraw/zinc/20/30/00/557203000.db2.gz GPTNQUKPXZUUQU-UHFFFAOYSA-N 0 0 432.885 3.658 50 0 IHAARN Cc1nc(SCC(=O)Nc2ccc(Br)cc2Cl)sc1CC(N)=O ZINC000024902321 557209314 /nfs/dbraw/zinc/20/93/14/557209314.db2.gz JOSSBZJCRIDPFE-UHFFFAOYSA-N 0 0 434.768 3.626 50 0 IHAARN COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1 ZINC000100053477 557218077 /nfs/dbraw/zinc/21/80/77/557218077.db2.gz VVSWWFIFVKDIQM-VHXPQNKSSA-N 0 0 425.554 3.798 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1OC ZINC000025613751 557219342 /nfs/dbraw/zinc/21/93/42/557219342.db2.gz VRUPRGGKKPXEFL-ZWKOTPCHSA-N 0 0 431.920 3.820 50 0 IHAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2cccs2)CC1 ZINC000025637612 557219986 /nfs/dbraw/zinc/21/99/86/557219986.db2.gz GDIMYKWVFNKLIK-UHFFFAOYSA-N 0 0 429.549 3.954 50 0 IHAARN COc1cc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 ZINC000025622496 557220117 /nfs/dbraw/zinc/22/01/17/557220117.db2.gz NANJEQQGVBRPBT-DVECYGJZSA-N 0 0 440.565 3.687 50 0 IHAARN O=C(Nc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 ZINC000025649305 557220598 /nfs/dbraw/zinc/22/05/98/557220598.db2.gz BWSVAPXQSWIGJW-UHFFFAOYSA-N 0 0 425.462 3.868 50 0 IHAARN CS(=O)(=O)Nc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1F ZINC000025670559 557221215 /nfs/dbraw/zinc/22/12/15/557221215.db2.gz CWHXCFDMBZLLGK-UHFFFAOYSA-N 0 0 440.456 3.895 50 0 IHAARN CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000803346 557222611 /nfs/dbraw/zinc/22/26/11/557222611.db2.gz IJLDDMGPKOHKCK-UHFFFAOYSA-N 0 0 425.510 3.623 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010994424 557222998 /nfs/dbraw/zinc/22/29/98/557222998.db2.gz CCVFNYCMWGQJJY-UHFFFAOYSA-N 0 0 426.538 3.725 50 0 IHAARN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000072300991 557223513 /nfs/dbraw/zinc/22/35/13/557223513.db2.gz MDOHRWBLNHMQOL-ZEQKJWHPSA-N 0 0 446.595 3.593 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2F)o1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025819003 557227738 /nfs/dbraw/zinc/22/77/38/557227738.db2.gz BHCDICZHGLUBCR-INIZCTEOSA-N 0 0 431.485 3.827 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2F)o1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025818996 557227792 /nfs/dbraw/zinc/22/77/92/557227792.db2.gz BHCDICZHGLUBCR-MRXNPFEDSA-N 0 0 431.485 3.827 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018033746 557230345 /nfs/dbraw/zinc/23/03/45/557230345.db2.gz XHTNFIDJTKVFET-AQNXPRMDSA-N 0 0 430.888 3.612 50 0 IHAARN COc1cc(NC(=O)N2CCC(n3c(C)nc4cccnc43)CC2)cc(OC)c1OC ZINC000032949869 557231852 /nfs/dbraw/zinc/23/18/52/557231852.db2.gz AXNCKGJWIUSXMA-UHFFFAOYSA-N 0 0 425.489 3.635 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccc(F)c(F)c1 ZINC000011693922 557232967 /nfs/dbraw/zinc/23/29/67/557232967.db2.gz FILKWQIIJRFVBA-UHFFFAOYSA-N 0 0 429.814 3.532 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000026069469 557233720 /nfs/dbraw/zinc/23/37/20/557233720.db2.gz RFMRACXIEVPMEN-DEOSSOPVSA-N 0 0 449.518 3.626 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000098211310 557234502 /nfs/dbraw/zinc/23/45/02/557234502.db2.gz LOTXMJSYVZPAGT-UHFFFAOYSA-N 0 0 443.507 3.563 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018082915 557235682 /nfs/dbraw/zinc/23/56/82/557235682.db2.gz OSVXOABBDNRLRR-SMIHKQSGSA-N 0 0 444.487 3.838 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000018120543 557238257 /nfs/dbraw/zinc/23/82/57/557238257.db2.gz WVZCBSSBRRDPJB-CALCHBBNSA-N 0 0 430.570 3.970 50 0 IHAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1cccc(F)c1 ZINC000100056277 557238965 /nfs/dbraw/zinc/23/89/65/557238965.db2.gz JTEIFIBJPCIJST-OAHLLOKOSA-N 0 0 437.290 3.592 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018151772 557243829 /nfs/dbraw/zinc/24/38/29/557243829.db2.gz MURCILWVRZTRIQ-ZLNRFVROSA-N 0 0 448.450 3.894 50 0 IHAARN COc1ccc2cc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)s3)ccc2c1 ZINC000026675315 557246193 /nfs/dbraw/zinc/24/61/93/557246193.db2.gz AZSYJTHYAUONRZ-HXUWFJFHSA-N 0 0 444.578 3.688 50 0 IHAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000604404778 557247845 /nfs/dbraw/zinc/24/78/45/557247845.db2.gz RRLBNDVYKRUYHB-YTZAWJCFSA-N 0 0 426.520 3.770 50 0 biogenic IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccc(OC)cc3)sc2=S)cc1 ZINC000032952279 557249764 /nfs/dbraw/zinc/24/97/64/557249764.db2.gz BSGZYTFVQROFAB-UHFFFAOYSA-N 0 0 443.550 3.966 50 0 IHAARN CC[C@H](C)[C@@H](C(=O)Nc1nc(-c2c(C)[nH]c3ccc(OC)cc32)cs1)n1cnnn1 ZINC000604418707 557250778 /nfs/dbraw/zinc/25/07/78/557250778.db2.gz NPXKEPLDAITAEU-VOJFVSQTSA-N 0 0 425.518 3.821 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)N2CCCCCC2)nc1 ZINC000005689270 557251396 /nfs/dbraw/zinc/25/13/96/557251396.db2.gz ZYMCWJNJCYKXRJ-UHFFFAOYSA-N 0 0 425.620 3.530 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000026938007 557251636 /nfs/dbraw/zinc/25/16/36/557251636.db2.gz OGACQQIWISJERA-JOCHJYFZSA-N 0 0 435.597 3.998 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000018206202 557251838 /nfs/dbraw/zinc/25/18/38/557251838.db2.gz WOOXGQURKWPZHM-UHFFFAOYSA-N 0 0 445.610 3.966 50 0 IHAARN COC(=O)C[C@@H](c1cccc2ccccc21)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419624 557251866 /nfs/dbraw/zinc/25/18/66/557251866.db2.gz IPWPQNPNZSRZGP-NRFANRHFSA-N 0 0 431.492 3.676 50 0 IHAARN COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 ZINC000018254294 557254374 /nfs/dbraw/zinc/25/43/74/557254374.db2.gz MNUQIVBNPSXMPK-QHCPKHFHSA-N 0 0 433.508 3.959 50 0 IHAARN COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000027022218 557255607 /nfs/dbraw/zinc/25/56/07/557255607.db2.gz YLZOMULBTACJMJ-PWFSRHFBSA-N 0 0 440.322 3.640 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)c1 ZINC000027064667 557256253 /nfs/dbraw/zinc/25/62/53/557256253.db2.gz KTHVZNCNALGZIG-MRXNPFEDSA-N 0 0 429.973 3.764 50 0 IHAARN COc1ccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2ccccc2F)cc1 ZINC000101114087 557256604 /nfs/dbraw/zinc/25/66/04/557256604.db2.gz JERUMQPOKYLSJK-XAYXJRQQSA-N 0 0 432.455 3.853 50 0 IHAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCO)c(=N)c32)cc1OC ZINC000101156591 557257200 /nfs/dbraw/zinc/25/72/00/557257200.db2.gz OQZBCECPWQXDRU-OAQYLSRUSA-N 0 0 429.476 3.811 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3c3nnc4ccccn43)cs2)cc1OC ZINC000027160866 557258249 /nfs/dbraw/zinc/25/82/49/557258249.db2.gz ISRGLRCCUSFZLP-KRWDZBQOSA-N 0 0 449.536 3.776 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F ZINC000027303094 557259709 /nfs/dbraw/zinc/25/97/09/557259709.db2.gz XGSLARCHVYOZOO-CQSZACIVSA-N 0 0 425.426 3.885 50 0 IHAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000027546976 557265080 /nfs/dbraw/zinc/26/50/80/557265080.db2.gz JJUKQTIASWHTIG-QGZVFWFLSA-N 0 0 429.476 3.939 50 0 IHAARN COc1cc2nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)[nH]c(=O)c2cc1OC ZINC000027574338 557266220 /nfs/dbraw/zinc/26/62/20/557266220.db2.gz WVRVVOSDLXPLDS-UHFFFAOYSA-N 0 0 437.496 3.614 50 0 IHAARN Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000027663524 557269782 /nfs/dbraw/zinc/26/97/82/557269782.db2.gz UGEMPYCWAKUIJT-MRXNPFEDSA-N 0 0 439.936 3.691 50 0 IHAARN COc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829931 557272349 /nfs/dbraw/zinc/27/23/49/557272349.db2.gz CYCLHEZWUPSGSH-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000101372851 557278724 /nfs/dbraw/zinc/27/87/24/557278724.db2.gz DTKYPGKGNQHCAO-UHFFFAOYSA-N 0 0 445.991 3.693 50 0 IHAARN COc1ccc(NC(=O)Nc2snnc2C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000101376903 557281425 /nfs/dbraw/zinc/28/14/25/557281425.db2.gz MGQBFKQMRABGOE-QGZVFWFLSA-N 0 0 438.513 3.953 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc2c1OCOC2 ZINC000031084129 557281913 /nfs/dbraw/zinc/28/19/13/557281913.db2.gz WDVFPOURRBHTDD-UHFFFAOYSA-N 0 0 436.961 3.800 50 0 IHAARN CC(=O)N(Cc1cccs1)c1nn2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)[nH]1 ZINC000101416664 557284647 /nfs/dbraw/zinc/28/46/47/557284647.db2.gz FWCRQVJFFOBKDR-UHFFFAOYSA-N 0 0 427.917 3.585 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000031545848 557290042 /nfs/dbraw/zinc/29/00/42/557290042.db2.gz QFBXCRFHDQQQHV-UHFFFAOYSA-N 0 0 427.508 3.785 50 0 IHAARN COc1ccc(C)cc1NC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCC(C)CC2)cc1 ZINC000101601546 557291389 /nfs/dbraw/zinc/29/13/89/557291389.db2.gz VNFKMLDOCSKOCA-UHFFFAOYSA-N 0 0 447.535 3.700 50 0 IHAARN O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)Nc1ccccc1Cl ZINC000014074854 557296953 /nfs/dbraw/zinc/29/69/53/557296953.db2.gz GHMGDNLLGSDVAV-UHFFFAOYSA-N 0 0 428.945 3.846 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C2CCCCC2)c1C ZINC000014085441 557300278 /nfs/dbraw/zinc/30/02/78/557300278.db2.gz KDRJWNOXFZETGM-HNNXBMFYSA-N 0 0 436.603 3.772 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1c(C)cc(C)cc1C ZINC000014109312 557303864 /nfs/dbraw/zinc/30/38/64/557303864.db2.gz CSXYQZFQWJGKBZ-UHFFFAOYSA-N 0 0 446.569 3.813 50 0 IHAARN CCCC(=O)N(Cc1ccc(C)cc1)c1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101861128 557304082 /nfs/dbraw/zinc/30/40/82/557304082.db2.gz ZLNZEZNRFDTXLA-UHFFFAOYSA-N 0 0 429.524 3.959 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014107529 557304346 /nfs/dbraw/zinc/30/43/46/557304346.db2.gz LQDKNJLLJULMEN-RKVPGOIHSA-N 0 0 443.407 3.545 50 0 IHAARN CCc1ccc(CN(C(=O)CCc2ccccc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101877875 557304393 /nfs/dbraw/zinc/30/43/93/557304393.db2.gz XSUYBTKFRFVKFD-UHFFFAOYSA-N 0 0 429.524 3.763 50 0 IHAARN CCOc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000832071 557312183 /nfs/dbraw/zinc/31/21/83/557312183.db2.gz HCOAHOXQEAMFCT-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN O=C(/C=C/c1ccc(Br)s1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000032721791 557315576 /nfs/dbraw/zinc/31/55/76/557315576.db2.gz OXVLHCIXTDBJFD-FVOPLDGLSA-N 0 0 446.413 3.801 50 0 IHAARN CSC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102270711 557317260 /nfs/dbraw/zinc/31/72/60/557317260.db2.gz LTPAMGYEPGYYNG-OFQRWUPVSA-N 0 0 429.369 3.516 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cccc(C(C)=O)c2)c3=O)cc1 ZINC000033128619 557324875 /nfs/dbraw/zinc/32/48/75/557324875.db2.gz CKEBEFYYHPFGKB-UHFFFAOYSA-N 0 0 430.464 3.845 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C[C@H](C)CC2 ZINC000102440962 557325867 /nfs/dbraw/zinc/32/58/67/557325867.db2.gz JFYNDMLYDBQILR-KFWWJZLASA-N 0 0 446.569 3.553 50 0 IHAARN COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(F)cc1F ZINC000024428228 557326038 /nfs/dbraw/zinc/32/60/38/557326038.db2.gz VJXIDSQPNPADFZ-UHFFFAOYSA-N 0 0 440.649 3.968 50 0 IHAARN CCCCCOc1ccc(-c2nc3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 ZINC000033168279 557326318 /nfs/dbraw/zinc/32/63/18/557326318.db2.gz JPKFBIKKLRDSSO-HMMYKYKNSA-N 0 0 449.532 3.721 50 0 IHAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000000832276 557327879 /nfs/dbraw/zinc/32/78/79/557327879.db2.gz DWCGAVFJBAPHRE-UHFFFAOYSA-N 0 0 438.505 3.752 50 0 IHAARN COc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102530441 557342587 /nfs/dbraw/zinc/34/25/87/557342587.db2.gz COAMXNXPBIMFPQ-UHFFFAOYSA-N 0 0 443.503 3.878 50 0 IHAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cc(C)ccc4OC)CC3)n2)cc1 ZINC000023428775 557354853 /nfs/dbraw/zinc/35/48/53/557354853.db2.gz FGXUOLFGBPNIQZ-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102722488 557369256 /nfs/dbraw/zinc/36/92/56/557369256.db2.gz UELMKLYKBHWQJF-DNVJHFABSA-N 0 0 430.460 3.760 50 0 IHAARN COc1cccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000033888536 557375559 /nfs/dbraw/zinc/37/55/59/557375559.db2.gz BULYABWVNGTZLO-HZHRSRAPSA-N 0 0 444.512 3.923 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@H]1c1cccs1 ZINC000102749194 557379092 /nfs/dbraw/zinc/37/90/92/557379092.db2.gz ZISRUBMONWWTML-SFHVURJKSA-N 0 0 429.523 3.796 50 0 IHAARN COc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1OC ZINC000024022514 557391167 /nfs/dbraw/zinc/39/11/67/557391167.db2.gz JZINVDRQQILMRS-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cc5ccccc5oc4=O)c3)cn2n1 ZINC000011693456 557391314 /nfs/dbraw/zinc/39/13/14/557391314.db2.gz UQQHNFYZSMDPIW-UHFFFAOYSA-N 0 0 442.431 3.772 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1OC ZINC000024023364 557391654 /nfs/dbraw/zinc/39/16/54/557391654.db2.gz WSGUDLVTIVNTQX-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1 ZINC000011694126 557392129 /nfs/dbraw/zinc/39/21/29/557392129.db2.gz ARDPJSLAQRFTGU-UHFFFAOYSA-N 0 0 449.551 3.635 50 0 IHAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)N1CCc2ccccc21 ZINC000011696055 557394207 /nfs/dbraw/zinc/39/42/07/557394207.db2.gz INLQYLVXKDCKIT-UHFFFAOYSA-N 0 0 441.940 3.515 50 0 IHAARN CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)nn12 ZINC000013954797 557397554 /nfs/dbraw/zinc/39/75/54/557397554.db2.gz NHJGSXALLZLXCG-UHFFFAOYSA-N 0 0 432.303 3.701 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013955959 557397786 /nfs/dbraw/zinc/39/77/86/557397786.db2.gz SCHPEJGRAJOTRP-LPHOPBHVSA-N 0 0 443.617 3.883 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000013956630 557398581 /nfs/dbraw/zinc/39/85/81/557398581.db2.gz MWXBJJTZPKPUBN-MRXNPFEDSA-N 0 0 429.590 3.717 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@H](C)C(=O)NC1CCCC1 ZINC000013956649 557398608 /nfs/dbraw/zinc/39/86/08/557398608.db2.gz VXVQSBLYUQJXRC-MRXNPFEDSA-N 0 0 429.590 3.635 50 0 IHAARN COCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000004881630 557400866 /nfs/dbraw/zinc/40/08/66/557400866.db2.gz POZLLNGEWKZERZ-UHFFFAOYSA-N 0 0 426.561 3.651 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2ccccc21 ZINC000033527835 557404259 /nfs/dbraw/zinc/40/42/59/557404259.db2.gz CYSHRFMAIRYGAS-UHFFFAOYSA-N 0 0 439.537 3.979 50 0 IHAARN CCCCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)cc1 ZINC000004916548 557404274 /nfs/dbraw/zinc/40/42/74/557404274.db2.gz YQXIYVAKLMFMRP-UHFFFAOYSA-N 0 0 425.558 3.665 50 0 IHAARN CCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1ccc(CC)cc1 ZINC000004924027 557408809 /nfs/dbraw/zinc/40/88/09/557408809.db2.gz OZNOEXPXWVSXGC-UHFFFAOYSA-N 0 0 428.577 3.897 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 ZINC000025691158 557409025 /nfs/dbraw/zinc/40/90/25/557409025.db2.gz XBCAGYLUHKWBLO-WAOWUJCRSA-N 0 0 426.513 3.576 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000102896647 557411237 /nfs/dbraw/zinc/41/12/37/557411237.db2.gz LBZWKNDPUBTGPH-RHSMWYFYSA-N 0 0 432.521 3.562 50 0 IHAARN O=S(=O)(Nc1cc(Cl)cnc1Br)c1ccc(OCC(F)F)cc1 ZINC000408518761 557412706 /nfs/dbraw/zinc/41/27/06/557412706.db2.gz YHLPAMGKSPQNFO-UHFFFAOYSA-N 0 0 427.654 3.942 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cc(C)ccc1C ZINC000004943779 557412935 /nfs/dbraw/zinc/41/29/35/557412935.db2.gz AVMGBZIXWODVQF-UHFFFAOYSA-N 0 0 425.485 3.798 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(C)cc1C ZINC000103408190 557435992 /nfs/dbraw/zinc/43/59/92/557435992.db2.gz CQBFMXWCRQICEO-NRFANRHFSA-N 0 0 425.554 3.968 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1 ZINC000051316124 557463750 /nfs/dbraw/zinc/46/37/50/557463750.db2.gz DWZNJEINVXPPBR-UHFFFAOYSA-N 0 0 435.430 3.686 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)NC(C)C)CC2)c(F)c1 ZINC000105195105 557492208 /nfs/dbraw/zinc/49/22/08/557492208.db2.gz HUEUBULXLMCMSH-UHFFFAOYSA-N 0 0 426.492 3.521 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(COc2ccccc2)cc1 ZINC000046759564 557492222 /nfs/dbraw/zinc/49/22/22/557492222.db2.gz ZPHCEGSHENLJAU-UHFFFAOYSA-N 0 0 443.297 3.667 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000105483305 557500032 /nfs/dbraw/zinc/50/00/32/557500032.db2.gz IPQVPYRLCBGEJU-AABGKKOBSA-N 0 0 432.586 3.623 50 0 IHAARN COc1cc(NC(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc(OC)c1OC ZINC000046913692 557513318 /nfs/dbraw/zinc/51/33/18/557513318.db2.gz OSKZNAXGJKQQPC-UHFFFAOYSA-N 0 0 447.495 3.946 50 0 IHAARN CSc1nn(CC(=O)NCCC2=CCCCC2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046915051 557514091 /nfs/dbraw/zinc/51/40/91/557514091.db2.gz BKEICSOXPBODGL-UHFFFAOYSA-N 0 0 438.557 3.911 50 0 IHAARN CSc1nn(CC(=O)NC2CCCC2)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000046915405 557514227 /nfs/dbraw/zinc/51/42/27/557514227.db2.gz FBCDLCBOFWOINW-UHFFFAOYSA-N 0 0 432.937 3.616 50 0 IHAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)c4ccnn4CC)c32)c1C ZINC000036619132 557517054 /nfs/dbraw/zinc/51/70/54/557517054.db2.gz PHBLUTZTOWZDFT-ZDUSSCGKSA-N 0 0 433.516 3.999 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3cc(C)ccc3C)nc3cccnc32)c1 ZINC000047147408 557517743 /nfs/dbraw/zinc/51/77/43/557517743.db2.gz UBHUCDYCGLZBKR-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc4ccccc4c3)c2=O)c1 ZINC000012072286 557527019 /nfs/dbraw/zinc/52/70/19/557527019.db2.gz CMAHIYRHTQJNML-UHFFFAOYSA-N 0 0 437.503 3.533 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccc(OC)cc3)C2)no1 ZINC000106893480 557532924 /nfs/dbraw/zinc/53/29/24/557532924.db2.gz DZKLWLAVGSBTFT-AEFFLSMTSA-N 0 0 435.528 3.796 50 0 IHAARN COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc32)cc1 ZINC000107542356 557536086 /nfs/dbraw/zinc/53/60/86/557536086.db2.gz YOJVUTYLYMRCJT-GMAHTHKFSA-N 0 0 426.538 3.613 50 0 IHAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(OC)cc2)C1 ZINC000044803870 557537441 /nfs/dbraw/zinc/53/74/41/557537441.db2.gz DSPWOTPZXCESIC-IBGZPJMESA-N 0 0 434.540 3.960 50 0 IHAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000044840487 557539281 /nfs/dbraw/zinc/53/92/81/557539281.db2.gz KEMXKCVQKIIPNC-LJQANCHMSA-N 0 0 433.552 3.616 50 0 IHAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccc(OC(F)F)cc3)n[nH]2)cc1 ZINC000040034454 557676374 /nfs/dbraw/zinc/67/63/74/557676374.db2.gz QZRXVDCEPPYSRE-UHFFFAOYSA-N 0 0 429.423 3.802 50 0 IHAARN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000225391578 557717790 /nfs/dbraw/zinc/71/77/90/557717790.db2.gz JMSULXNFFIVZDY-OAQYLSRUSA-N 0 0 440.540 3.781 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000225414480 557720191 /nfs/dbraw/zinc/72/01/91/557720191.db2.gz KAZCOCJQGQOORQ-YJBOKZPZSA-N 0 0 436.478 3.877 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)C(=O)c1cnn(CC)c1)C1CC1 ZINC000225430682 557722342 /nfs/dbraw/zinc/72/23/42/557722342.db2.gz IRFKLTTUTFXNLX-QGZVFWFLSA-N 0 0 438.311 3.688 50 0 IHAARN COc1cccc2c(=O)c(C)c(C(=O)N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)[nH]c12 ZINC000225615566 557752656 /nfs/dbraw/zinc/75/26/56/557752656.db2.gz CWFRQBLZCAQINQ-INIZCTEOSA-N 0 0 443.544 3.564 50 0 IHAARN CCn1ccnc1CN(C(=O)[C@@H](C)SC)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669067 557760186 /nfs/dbraw/zinc/76/01/86/557760186.db2.gz VOXYCENVNWSPLO-SJORKVTESA-N 0 0 436.622 3.773 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000225742774 557771613 /nfs/dbraw/zinc/77/16/13/557771613.db2.gz AVPNJILJPFIILA-GZBFAFLISA-N 0 0 438.318 3.654 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(Cl)c2)[C@H](c2ccncc2)C1 ZINC000225844812 557784493 /nfs/dbraw/zinc/78/44/93/557784493.db2.gz NJVSHGJBZXOJQT-FQEVSTJZSA-N 0 0 444.963 3.645 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226839170 557809573 /nfs/dbraw/zinc/80/95/73/557809573.db2.gz RDKFKJJETCYGCY-RBZQAINGSA-N 0 0 441.487 3.692 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000226926186 557811198 /nfs/dbraw/zinc/81/11/98/557811198.db2.gz YJXMFLMYMIYCIG-JFIYKMOQSA-N 0 0 425.554 3.915 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 ZINC000000846228 557829032 /nfs/dbraw/zinc/82/90/32/557829032.db2.gz STKOGXRFGPSVMY-VGSWGCGISA-N 0 0 437.540 3.714 50 0 IHAARN CCCN1C(=O)N=NC1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000018524054 557829356 /nfs/dbraw/zinc/82/93/56/557829356.db2.gz NKPOISNCWMEMMJ-UHFFFAOYSA-N 0 0 429.477 3.516 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(C)cc2)cc1OC ZINC000000854478 557831211 /nfs/dbraw/zinc/83/12/11/557831211.db2.gz PEJMDBUFIDEGTQ-UHFFFAOYSA-N 0 0 446.569 3.656 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@@H]([C@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@H]3C2)C1=O ZINC000229981973 557834854 /nfs/dbraw/zinc/83/48/54/557834854.db2.gz JQRMVDOOOSTCBW-AZXNSQLWSA-N 0 0 442.515 3.955 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071098 557836912 /nfs/dbraw/zinc/83/69/12/557836912.db2.gz DOZBKLMEJWOGOJ-QZTJIDSGSA-N 0 0 437.565 3.774 50 0 IHAARN NS(=O)(=O)c1ccccc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000239636933 557844798 /nfs/dbraw/zinc/84/47/98/557844798.db2.gz BHOWQVLALCMZIN-UHFFFAOYSA-N 0 0 442.591 3.859 50 0 IHAARN O=CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000241815947 557847047 /nfs/dbraw/zinc/84/70/47/557847047.db2.gz SEIIDCLSHFIROO-UZLBHIALSA-N 0 0 438.330 3.575 50 0 IHAARN O=CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000241815946 557847124 /nfs/dbraw/zinc/84/71/24/557847124.db2.gz SEIIDCLSHFIROO-OXQOHEQNSA-N 0 0 438.330 3.575 50 0 IHAARN COc1cccc(NC(=O)N2CCO[C@@H](CN(CC3CC3)C(=O)c3cccc(F)c3)C2)c1 ZINC000034692358 557849015 /nfs/dbraw/zinc/84/90/15/557849015.db2.gz SRJPYQDDGCHEDN-JOCHJYFZSA-N 0 0 441.503 3.619 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000880029 557849033 /nfs/dbraw/zinc/84/90/33/557849033.db2.gz ARJVERYOKBSVFB-UHFFFAOYSA-N 0 0 445.928 3.886 50 0 IHAARN COc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 ZINC000000870032 562919446 /nfs/dbraw/zinc/91/94/46/562919446.db2.gz MEIHFWBAEBWTRG-FGZHOGPDSA-N 0 0 444.578 3.552 50 0 IHAARN O=C(CNC(=O)OCc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000000941338 562919760 /nfs/dbraw/zinc/91/97/60/562919760.db2.gz WMBBCGGGMLADNU-UHFFFAOYSA-N 0 0 445.427 3.997 50 0 biogenic IHAARN CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(Br)cc2)c1=O ZINC000001401559 562921711 /nfs/dbraw/zinc/92/17/11/562921711.db2.gz WNTVLKMCJUJUQS-UHFFFAOYSA-N 0 0 433.689 3.666 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000001427807 562921870 /nfs/dbraw/zinc/92/18/70/562921870.db2.gz WDJHXSAEWTUUIL-UHFFFAOYSA-N 0 0 436.512 3.992 50 0 aggregator IHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1Cl ZINC000002649513 562929219 /nfs/dbraw/zinc/92/92/19/562929219.db2.gz BXKXVOQGFBLEQT-INIZCTEOSA-N 0 0 431.938 3.623 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1Cc1ccco1 ZINC000002647372 562929239 /nfs/dbraw/zinc/92/92/39/562929239.db2.gz DKTHQTYDYXDXIK-VWLOTQADSA-N 0 0 431.492 3.713 50 0 aggregator IHAARN COCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C ZINC000002648180 562929278 /nfs/dbraw/zinc/92/92/78/562929278.db2.gz IQBOPMADILUNLC-VWLOTQADSA-N 0 0 439.556 3.699 50 0 IHAARN O=C(COC(=O)c1cncc(Br)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002650593 562929357 /nfs/dbraw/zinc/92/93/57/562929357.db2.gz ZZXGQRPOSMJKEK-UHFFFAOYSA-N 0 0 436.262 3.902 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3OC)ccc2F)cc1 ZINC000003024662 562931808 /nfs/dbraw/zinc/93/18/08/562931808.db2.gz RKVHIXUYVCEXMK-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN Cc1nc2c(C(=O)N3CCC4(CC3)OCCO4)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003033497 562931947 /nfs/dbraw/zinc/93/19/47/562931947.db2.gz VIDPBWUTXOCHTQ-UHFFFAOYSA-N 0 0 440.931 3.569 50 0 IHAARN O=C(COC(=O)COc1ccccc1)Nc1ccc(Br)cc1Br ZINC000003237689 562933202 /nfs/dbraw/zinc/93/32/02/562933202.db2.gz JXHBXQUWUHASDJ-UHFFFAOYSA-N 0 0 443.091 3.772 50 0 IHAARN Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000003246627 562933254 /nfs/dbraw/zinc/93/32/54/562933254.db2.gz DKDGLTCLCCJFQS-CQSZACIVSA-N 0 0 426.494 3.788 50 0 IHAARN O=C(COc1ccc(Br)cc1Br)N1CC(=O)Nc2ccccc21 ZINC000003515564 562936337 /nfs/dbraw/zinc/93/63/37/562936337.db2.gz MTUZPMRSASNSCN-UHFFFAOYSA-N 0 0 440.091 3.576 50 0 IHAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCCCN1CCCC1=O ZINC000003958383 562940033 /nfs/dbraw/zinc/94/00/33/562940033.db2.gz NHPXICYPOACOOF-UHFFFAOYSA-N 0 0 448.567 3.741 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1 ZINC000004102020 562941931 /nfs/dbraw/zinc/94/19/31/562941931.db2.gz SPKLNOLQRWULOL-UHFFFAOYSA-N 0 0 443.592 3.781 50 0 IHAARN CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000004195270 562942546 /nfs/dbraw/zinc/94/25/46/562942546.db2.gz SUJVYXLEROJSQA-XAUMDUMWSA-N 0 0 428.529 3.886 50 0 IHAARN CCOC(=O)[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000006577301 562947558 /nfs/dbraw/zinc/94/75/58/562947558.db2.gz OFMNHUBFONWQLL-CQSZACIVSA-N 0 0 440.550 3.736 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1Cl ZINC000008583917 562949961 /nfs/dbraw/zinc/94/99/61/562949961.db2.gz ZSAYJJKBKIVSIP-UHFFFAOYSA-N 0 0 445.972 3.786 50 0 IHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000008588007 562950521 /nfs/dbraw/zinc/95/05/21/562950521.db2.gz DMBNPSFZZPYFRM-UHFFFAOYSA-N 0 0 436.946 3.967 50 0 IHAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)c3ccc(Br)cc3)ccc2N1C(=O)C1CC1 ZINC000008589407 562951201 /nfs/dbraw/zinc/95/12/01/562951201.db2.gz UYPHPDVKQWICFE-ZDUSSCGKSA-N 0 0 449.370 3.962 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000008592646 562952406 /nfs/dbraw/zinc/95/24/06/562952406.db2.gz IGIFJBLSZDKJOW-HNNXBMFYSA-N 0 0 444.528 3.624 50 0 IHAARN CCOc1ccc(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000008597718 562954020 /nfs/dbraw/zinc/95/40/20/562954020.db2.gz XMEQLFBOYMUIIG-UHFFFAOYSA-N 0 0 428.510 3.911 50 0 IHAARN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)Nc1cccc(Br)c1 ZINC000008599588 562954785 /nfs/dbraw/zinc/95/47/85/562954785.db2.gz WBGDYCMCXWLOAI-UHFFFAOYSA-N 0 0 426.192 3.817 50 0 IHAARN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)Nc1ccc(Br)cc1F ZINC000008599558 562954813 /nfs/dbraw/zinc/95/48/13/562954813.db2.gz IGVKXKYGBJGKQL-UHFFFAOYSA-N 0 0 444.182 3.956 50 0 IHAARN Cc1ccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)cc1 ZINC000008600245 562954972 /nfs/dbraw/zinc/95/49/72/562954972.db2.gz WRZYFPGMWSIZFJ-UHFFFAOYSA-N 0 0 432.958 3.981 50 0 IHAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(C)c(C)c3)nc3cccnc32)cc1 ZINC000008600321 562955047 /nfs/dbraw/zinc/95/50/47/562955047.db2.gz OVKCKTUMFCYNES-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(F)cc3)s2)cc1OC ZINC000008601205 562955233 /nfs/dbraw/zinc/95/52/33/562955233.db2.gz FGIMTCROMFLKMD-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN CCN(CC)c1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000008602714 562955888 /nfs/dbraw/zinc/95/58/88/562955888.db2.gz DXAMOHSLVBXKIX-UHFFFAOYSA-N 0 0 429.524 3.981 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)nc(CC)n23)s1 ZINC000008605109 562956577 /nfs/dbraw/zinc/95/65/77/562956577.db2.gz XUEHKQLXGGUTBP-UHFFFAOYSA-N 0 0 428.945 3.805 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1N ZINC000008606956 562957150 /nfs/dbraw/zinc/95/71/50/562957150.db2.gz DBNCGVUIKJAOTN-UHFFFAOYSA-N 0 0 434.374 3.782 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000008607723 562957354 /nfs/dbraw/zinc/95/73/54/562957354.db2.gz RSJOAPXROISBEV-UHFFFAOYSA-N 0 0 449.488 3.764 50 0 IHAARN CSc1ccc(CCNC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008611382 562958583 /nfs/dbraw/zinc/95/85/83/562958583.db2.gz MBFAYJDKGWFBTD-UHFFFAOYSA-N 0 0 446.576 3.885 50 0 IHAARN CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 ZINC000008612089 562959027 /nfs/dbraw/zinc/95/90/27/562959027.db2.gz RFBFKJFZHKZQNE-UHFFFAOYSA-N 0 0 428.948 3.508 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1c2c(sc1NC(=O)c1cc(=O)c3ccccc3o1)CCC2 ZINC000008612258 562959054 /nfs/dbraw/zinc/95/90/54/562959054.db2.gz YJOYBDUAIRQMID-ZDUSSCGKSA-N 0 0 438.505 3.504 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCc2cc(Br)ccc2OC)c1C ZINC000008619551 562959850 /nfs/dbraw/zinc/95/98/50/562959850.db2.gz UWXFKHFLORBCTG-UHFFFAOYSA-N 0 0 437.334 3.828 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1 ZINC000008661009 562960257 /nfs/dbraw/zinc/96/02/57/562960257.db2.gz SIIMRTLNCSHSFX-OAHLLOKOSA-N 0 0 442.566 3.878 50 0 IHAARN CCOc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000008685263 562962405 /nfs/dbraw/zinc/96/24/05/562962405.db2.gz HEIAHYRUBLEILT-UHFFFAOYSA-N 0 0 434.565 3.983 50 0 IHAARN CCOc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008690164 562963182 /nfs/dbraw/zinc/96/31/82/562963182.db2.gz RVGBOECHBJOOCJ-GOSISDBHSA-N 0 0 427.522 3.969 50 0 IHAARN O=C(/C=C\c1ccc2c(c1)OCO2)NC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000008690842 562963300 /nfs/dbraw/zinc/96/33/00/562963300.db2.gz YZMBHOUCIHJVLT-UITAMQMPSA-N 0 0 436.464 3.615 50 0 biogenic IHAARN COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000008694034 562963712 /nfs/dbraw/zinc/96/37/12/562963712.db2.gz DLJAIAYKXYBOQM-UHFFFAOYSA-N 0 0 427.526 3.532 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCCn4ccnc4)ccc32)cc1 ZINC000008791162 562964229 /nfs/dbraw/zinc/96/42/29/562964229.db2.gz VXJGZXNPBUVEMN-KRWDZBQOSA-N 0 0 447.491 3.639 50 0 biogenic IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000008901451 562965839 /nfs/dbraw/zinc/96/58/39/562965839.db2.gz PJAYTMNTVQIEIO-PKOBYXMFSA-N 0 0 437.565 3.715 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008915263 562966014 /nfs/dbraw/zinc/96/60/14/562966014.db2.gz FVJNKLQGLOYVMB-IBGZPJMESA-N 0 0 439.533 3.548 50 0 IHAARN O=c1[nH]c2ccccc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009010416 562966632 /nfs/dbraw/zinc/96/66/32/562966632.db2.gz IWTFQMDLAQYOFV-GOSISDBHSA-N 0 0 432.929 3.551 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccco1)CC(F)(F)F ZINC000009222613 562968291 /nfs/dbraw/zinc/96/82/91/562968291.db2.gz FBZZDYBJYQHRMW-UHFFFAOYSA-N 0 0 441.387 3.742 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000009392154 562969842 /nfs/dbraw/zinc/96/98/42/562969842.db2.gz GMMPPZJUHXUVDT-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)n1Cc1ccccc1 ZINC000009465648 562971634 /nfs/dbraw/zinc/97/16/34/562971634.db2.gz KGAOQHNJRBKNTN-UHFFFAOYSA-N 0 0 439.533 3.743 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccccn2)c1 ZINC000009467694 562971648 /nfs/dbraw/zinc/97/16/48/562971648.db2.gz RARQNNWFFDECOR-KRWDZBQOSA-N 0 0 439.537 3.715 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc(Br)s2)c(C)c1 ZINC000009468063 562971711 /nfs/dbraw/zinc/97/17/11/562971711.db2.gz ZCBRGRUOUVKMQJ-UHFFFAOYSA-N 0 0 438.391 3.623 50 0 IHAARN CCCOc1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2CCOC2=O)cc1OCCC ZINC000009561934 562973253 /nfs/dbraw/zinc/97/32/53/562973253.db2.gz APUOHHVGNOQUIR-HXUWFJFHSA-N 0 0 426.465 3.968 50 0 IHAARN O=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Br)cc1 ZINC000009631632 562974396 /nfs/dbraw/zinc/97/43/96/562974396.db2.gz GAVARGQWNULIAA-UHFFFAOYSA-N 0 0 440.297 3.792 50 0 IHAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000009662107 562974817 /nfs/dbraw/zinc/97/48/17/562974817.db2.gz LBPGYOPRSBNHNE-UHFFFAOYSA-N 0 0 435.446 3.643 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000009673328 562975288 /nfs/dbraw/zinc/97/52/88/562975288.db2.gz KVBBYHPAYRZSOB-RTWAWAEBSA-N 0 0 440.590 3.832 50 0 IHAARN CSc1ccc(CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684630 562975460 /nfs/dbraw/zinc/97/54/60/562975460.db2.gz JCYNTIQCAWUNHF-UHFFFAOYSA-N 0 0 435.615 3.501 50 0 IHAARN Cc1cc2nc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)sc2c(C)c1 ZINC000010066227 562978301 /nfs/dbraw/zinc/97/83/01/562978301.db2.gz PJBWUARSBMIWLR-UHFFFAOYSA-N 0 0 445.610 3.672 50 0 IHAARN COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1 ZINC000012713767 562982997 /nfs/dbraw/zinc/98/29/97/562982997.db2.gz OHMNFWZFICRQPH-UHFFFAOYSA-N 0 0 448.523 3.777 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)C[C@H](C)O1 ZINC000012948689 562983563 /nfs/dbraw/zinc/98/35/63/562983563.db2.gz SPRHWVJCQMBKBB-IYBDPMFKSA-N 0 0 440.993 3.758 50 0 IHAARN COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2SC)cc(OC)c1OC ZINC000013130070 562984919 /nfs/dbraw/zinc/98/49/19/562984919.db2.gz LOONYVSPKAFHJK-ZHACJKMWSA-N 0 0 430.526 3.545 50 0 IHAARN NS(=O)(=O)c1ccc2nc(NC(=O)CCSc3ccc(Cl)cc3)sc2c1 ZINC000015391534 563017824 /nfs/dbraw/zinc/01/78/24/563017824.db2.gz YYJCSUMAHLSUGW-UHFFFAOYSA-N 0 0 427.960 3.718 50 0 IHAARN CCOc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000015899985 563018319 /nfs/dbraw/zinc/01/83/19/563018319.db2.gz ZQAOKFWUCKLBLS-HKBQPEDESA-N 0 0 440.565 3.965 50 0 IHAARN CSc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000015943093 563019872 /nfs/dbraw/zinc/01/98/72/563019872.db2.gz ZKOKODCTDDNPCI-QGZVFWFLSA-N 0 0 447.564 3.798 50 0 IHAARN CC[C@H](C(=O)NCCc1ccc(C)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943066 563019892 /nfs/dbraw/zinc/01/98/92/563019892.db2.gz KQOUUHUOTAGOKA-JOCHJYFZSA-N 0 0 443.551 3.817 50 0 IHAARN COc1cccc(C(=O)C[C@@H]2c3c(OC)c4c(c(Br)c3CCN2C)OCO4)c1 ZINC000020410437 563024702 /nfs/dbraw/zinc/02/47/02/563024702.db2.gz CJTFTLNERNIELR-OAHLLOKOSA-N 0 0 448.313 3.997 50 0 biogenic IHAARN CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc(OCC)c1OCC ZINC000038141173 563096060 /nfs/dbraw/zinc/09/60/60/563096060.db2.gz LGROEEKDMGPWFX-HKBQPEDESA-N 0 0 449.573 3.849 50 0 IHAARN Cc1nc(CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1 ZINC000022928585 568612879 /nfs/dbraw/zinc/61/28/79/568612879.db2.gz DNYSNQDRZMRUIQ-UHFFFAOYSA-N 0 0 432.899 3.880 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1 ZINC000018949070 568629026 /nfs/dbraw/zinc/62/90/26/568629026.db2.gz UQVUPWQGYDOTKM-UHFFFAOYSA-N 0 0 426.542 3.523 50 0 IHAARN COc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc(=O)oc2c1 ZINC000018995155 568631264 /nfs/dbraw/zinc/63/12/64/568631264.db2.gz NXFRHVKKMQZFOC-UHFFFAOYSA-N 0 0 446.459 3.522 50 0 IHAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000015028442 568632978 /nfs/dbraw/zinc/63/29/78/568632978.db2.gz FZUAOLQMPYXNFE-UHFFFAOYSA-N 0 0 426.826 3.723 50 0 IHAARN Cc1noc(C)c1CN(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000025075754 568634600 /nfs/dbraw/zinc/63/46/00/568634600.db2.gz DINJZLRQVDMLFX-UHFFFAOYSA-N 0 0 449.555 3.669 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)c1 ZINC000000907021 568636384 /nfs/dbraw/zinc/63/63/84/568636384.db2.gz KVHGLMKHWPOUGO-UHFFFAOYSA-N 0 0 428.587 3.862 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)cc1O ZINC000086057591 568642727 /nfs/dbraw/zinc/64/27/27/568642727.db2.gz LSLOEOZUVGTYGG-AWEZNQCLSA-N 0 0 443.912 3.904 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(CC)cc3c1=O)CCCC2 ZINC000000958870 568646225 /nfs/dbraw/zinc/64/62/25/568646225.db2.gz FSXCMBKQVPBTMA-UHFFFAOYSA-N 0 0 445.566 3.776 50 0 IHAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OCC)c2O)C1=O ZINC000001008440 568650724 /nfs/dbraw/zinc/65/07/24/568650724.db2.gz ZPSMHHFYMDUNES-PBJWJZLWSA-N 0 0 444.303 3.541 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025316508 568653202 /nfs/dbraw/zinc/65/32/02/568653202.db2.gz JFSUBGXMGSIBRA-ZDUSSCGKSA-N 0 0 438.311 3.536 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)CC3 ZINC000025451261 568659139 /nfs/dbraw/zinc/65/91/39/568659139.db2.gz ZMUIKQYNLAGFDB-IBGZPJMESA-N 0 0 434.492 3.711 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001102992 568660342 /nfs/dbraw/zinc/66/03/42/568660342.db2.gz VYXAQFIQJHEAIG-UHFFFAOYSA-N 0 0 438.549 3.545 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000005941252 568739052 /nfs/dbraw/zinc/73/90/52/568739052.db2.gz ZTAHTQALWKRWKH-UHFFFAOYSA-N 0 0 444.391 3.721 50 0 IHAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3N2)cc1 ZINC000001213668 568739102 /nfs/dbraw/zinc/73/91/02/568739102.db2.gz LHEKNYLVFFSNSD-GJZGRUSLSA-N 0 0 441.885 3.893 50 0 IHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC ZINC000001941593 568742345 /nfs/dbraw/zinc/74/23/45/568742345.db2.gz XCIHUDCZSFDGFJ-CMDGGOBGSA-N 0 0 439.386 3.926 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 ZINC000003244171 568743502 /nfs/dbraw/zinc/74/35/02/568743502.db2.gz BDKMPLUIKSQQMU-HSZRJFAPSA-N 0 0 430.460 3.542 50 0 IHAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)CCc3ccccc3)nc2c1 ZINC000003332962 568746529 /nfs/dbraw/zinc/74/65/29/568746529.db2.gz XRNJIHBLJNFBTJ-HNNXBMFYSA-N 0 0 432.567 3.851 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012557856 568746886 /nfs/dbraw/zinc/74/68/86/568746886.db2.gz DFSXBBGSDXWOTP-FQEVSTJZSA-N 0 0 442.537 3.904 50 0 IHAARN Cc1nc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(Cl)cc1Cl 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CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 ZINC000084019612 568789872 /nfs/dbraw/zinc/78/98/72/568789872.db2.gz CLZOGNGZKNBUMK-UHFFFAOYSA-N 0 0 435.557 3.949 50 0 IHAARN Cc1c(COC(C)C)cccc1NC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000084041335 568790299 /nfs/dbraw/zinc/79/02/99/568790299.db2.gz VJJOQNLYGILKBW-LJQANCHMSA-N 0 0 434.581 3.593 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)ccc1C ZINC000016648960 568791240 /nfs/dbraw/zinc/79/12/40/568791240.db2.gz DWCQEAYZLKWKAU-UHFFFAOYSA-N 0 0 428.851 3.608 50 0 IHAARN O=C(Nc1ccccc1)c1nnn(Cc2ccccc2)c1NCc1ccc2c(c1)OCO2 ZINC000001430313 568794727 /nfs/dbraw/zinc/79/47/27/568794727.db2.gz NOXYAXJUZHKKJO-UHFFFAOYSA-N 0 0 427.464 3.920 50 0 IHAARN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000084148655 568795174 /nfs/dbraw/zinc/79/51/74/568795174.db2.gz IHNUACMOVHBJPK-VXKWHMMOSA-N 0 0 434.458 3.826 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2-c2ccccc2C)cc1 ZINC000004212866 568797021 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3.516 50 0 IHAARN Cc1cccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-n2cccc2)c1 ZINC000015731275 568814697 /nfs/dbraw/zinc/81/46/97/568814697.db2.gz XMUSAZPEHQUGKN-UHFFFAOYSA-N 0 0 425.536 3.929 50 0 IHAARN CCCCc1nn2c(nc(CSc3n[nH]c(-c4ccccc4OC)n3)cc2=O)s1 ZINC000015731870 568815051 /nfs/dbraw/zinc/81/50/51/568815051.db2.gz WLQMROXDPPXFFO-UHFFFAOYSA-N 0 0 428.543 3.580 50 0 IHAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 ZINC000001448081 568817503 /nfs/dbraw/zinc/81/75/03/568817503.db2.gz REPHGZTYTDTUJQ-UHFFFAOYSA-N 0 0 439.420 3.511 50 0 IHAARN O=c1c2cc(Br)ccc2nc(SCCN2CCOCC2)n1-c1ccccc1 ZINC000012812388 568818967 /nfs/dbraw/zinc/81/89/67/568818967.db2.gz QRSVCXXGMWRTNB-UHFFFAOYSA-N 0 0 446.370 3.573 50 0 IHAARN CCOC(=O)c1cnn(C)c1NC(=O)[C@H](CC)Sc1cc(-c2ccccc2)ncn1 ZINC000012000884 568819462 /nfs/dbraw/zinc/81/94/62/568819462.db2.gz JHPJLEDHERICKB-KRWDZBQOSA-N 0 0 425.514 3.563 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)cc1 ZINC000015780829 568825171 /nfs/dbraw/zinc/82/51/71/568825171.db2.gz GNXUGVQTARTQOW-IBGZPJMESA-N 0 0 437.489 3.980 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 ZINC000015780811 568825173 /nfs/dbraw/zinc/82/51/73/568825173.db2.gz SXLDMUIGAHTICL-FQEVSTJZSA-N 0 0 433.526 3.770 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000015783933 568826729 /nfs/dbraw/zinc/82/67/29/568826729.db2.gz QUQICDXRQYPNBU-UHFFFAOYSA-N 0 0 430.530 3.680 50 0 IHAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCCc3ccccc3)N2C1=O ZINC000015783590 568827085 /nfs/dbraw/zinc/82/70/85/568827085.db2.gz VOSWZKJJKCHBGB-OXQOHEQNSA-N 0 0 434.565 3.782 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCCCC3)c2C)c1 ZINC000085598194 568827192 /nfs/dbraw/zinc/82/71/92/568827192.db2.gz ABJNGTWFENDWLH-UHFFFAOYSA-N 0 0 447.557 3.625 50 0 IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cnn(C)c3C)CC(=O)O4)c2=O)cc1 ZINC000085877110 568838549 /nfs/dbraw/zinc/83/85/49/568838549.db2.gz BSKRFMDYMZPUTN-MRXNPFEDSA-N 0 0 446.459 3.960 50 0 biogenic IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000001514363 568839341 /nfs/dbraw/zinc/83/93/41/568839341.db2.gz OAJIFKZLDGRUDP-UHFFFAOYSA-N 0 0 446.554 3.538 50 0 IHAARN CCOC(=O)c1c2cccnn2c(C(=O)c2ccc(Br)cc2)c1C(=O)OCC ZINC000004543063 568841790 /nfs/dbraw/zinc/84/17/90/568841790.db2.gz GUOLUYBUIFHZHM-UHFFFAOYSA-N 0 0 445.269 3.681 50 0 IHAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1Cl ZINC000015832871 568842224 /nfs/dbraw/zinc/84/22/24/568842224.db2.gz CRHMRNNYDADNOX-IBGZPJMESA-N 0 0 433.917 3.929 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000015858280 568846429 /nfs/dbraw/zinc/84/64/29/568846429.db2.gz FKXQBJNFQJZDBT-UHFFFAOYSA-N 0 0 432.807 3.678 50 0 IHAARN CCOc1ccc(CC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OCC ZINC000015861997 568848475 /nfs/dbraw/zinc/84/84/75/568848475.db2.gz GEMWNGBKWFRMHR-UHFFFAOYSA-N 0 0 449.554 3.646 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(F)c(F)c1)C[C@@H]1CSCN12 ZINC000015862157 568848481 /nfs/dbraw/zinc/84/84/81/568848481.db2.gz BBPLGQFSINLKDF-YGHRGLEHSA-N 0 0 429.492 3.560 50 0 biogenic IHAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3[nH]2)cc1 ZINC000015863812 568849431 /nfs/dbraw/zinc/84/94/31/568849431.db2.gz GIBXYSACXWZKRO-UHFFFAOYSA-N 0 0 442.475 3.771 50 0 IHAARN Cc1ccc2nc(COc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)cc(=O)n2c1 ZINC000015865514 568850390 /nfs/dbraw/zinc/85/03/90/568850390.db2.gz MGFOZCQYLJRSET-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000015868398 568851293 /nfs/dbraw/zinc/85/12/93/568851293.db2.gz YKKPCWIMPHRARJ-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccccc4OC)CC3)[nH]c2c1 ZINC000015868636 568852011 /nfs/dbraw/zinc/85/20/11/568852011.db2.gz WLLCXKFIQMIXPD-QGZVFWFLSA-N 0 0 449.551 3.990 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)n1 ZINC000015879762 568853993 /nfs/dbraw/zinc/85/39/93/568853993.db2.gz KQPWXWNZMDIEQV-UHFFFAOYSA-N 0 0 435.571 3.570 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(SC)c2)cc1 ZINC000015881602 568855650 /nfs/dbraw/zinc/85/56/50/568855650.db2.gz FKGAWTZIMYZPDW-QGZVFWFLSA-N 0 0 434.583 3.989 50 0 IHAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000015882682 568857214 /nfs/dbraw/zinc/85/72/14/568857214.db2.gz RJQOIIREIIRABI-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN COc1ccccc1CCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883340 568857594 /nfs/dbraw/zinc/85/75/94/568857594.db2.gz YKEUYYHWUJRYST-UHFFFAOYSA-N 0 0 431.467 3.565 50 0 IHAARN COc1ccc(-c2ccc(OCCNC(=O)c3cccc(Br)c3)nn2)cc1 ZINC000015884400 568858115 /nfs/dbraw/zinc/85/81/15/568858115.db2.gz QCWIMRLLAGZBNA-UHFFFAOYSA-N 0 0 428.286 3.724 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1Br ZINC000015898461 568858278 /nfs/dbraw/zinc/85/82/78/568858278.db2.gz UHMORKQYRLTKFL-UHFFFAOYSA-N 0 0 427.320 3.915 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)N(C3CC3)C(=S)N[C@H]2c2ccc(-n3cncn3)cc2)cc1 ZINC000012897574 568858483 /nfs/dbraw/zinc/85/84/83/568858483.db2.gz CFXQXNJBCFWWMZ-QFIPXVFZSA-N 0 0 444.564 3.882 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3ccccc3)co2)s1 ZINC000016047792 568869206 /nfs/dbraw/zinc/86/92/06/568869206.db2.gz NAEACTASRUJIEA-CMDGGOBGSA-N 0 0 443.506 3.751 50 0 IHAARN Cc1cc(NC(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)ccc1N1CCCC1=O ZINC000012944492 568870468 /nfs/dbraw/zinc/87/04/68/568870468.db2.gz ZTCSRIBMQWNJAC-JOCHJYFZSA-N 0 0 440.519 3.723 50 0 IHAARN O=C(CCNC(=O)Cc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012952044 568872167 /nfs/dbraw/zinc/87/21/67/568872167.db2.gz QMJLEWHNYVCSNA-UHFFFAOYSA-N 0 0 438.531 3.905 50 0 IHAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000016173321 568872184 /nfs/dbraw/zinc/87/21/84/568872184.db2.gz QXRYKPZNGOJVQC-UHFFFAOYSA-N 0 0 430.508 3.658 50 0 IHAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 ZINC000575612933 568879557 /nfs/dbraw/zinc/87/95/57/568879557.db2.gz DNXAPXZZOJNMSY-ZDUSSCGKSA-N 0 0 446.417 3.953 50 0 IHAARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006232870 568880731 /nfs/dbraw/zinc/88/07/31/568880731.db2.gz SJEDGNXTYBINAW-GKVSMKOHSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)Nc1ccccc1-c1cn3c(n1)CCCC3)CS2 ZINC000575620760 568882877 /nfs/dbraw/zinc/88/28/77/568882877.db2.gz SWUQCUOAPARACP-INIZCTEOSA-N 0 0 435.553 3.736 50 0 IHAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000009481635 568883499 /nfs/dbraw/zinc/88/34/99/568883499.db2.gz XRUGEFFBISXBBH-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCCc2ccccc2)CSC3)cc1C ZINC000090557756 568887548 /nfs/dbraw/zinc/88/75/48/568887548.db2.gz MUXGPNFENXJMNK-UHFFFAOYSA-N 0 0 434.565 3.858 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000090582840 568888156 /nfs/dbraw/zinc/88/81/56/568888156.db2.gz MZYXKZBRCCWRBT-UHFFFAOYSA-N 0 0 437.930 3.697 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102718165 568888529 /nfs/dbraw/zinc/88/85/29/568888529.db2.gz ILJJGQCDYHLQGO-DNVJHFABSA-N 0 0 442.471 3.833 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3nc4c(cccc4F)s3)C2)cc1 ZINC000090593977 568888963 /nfs/dbraw/zinc/88/89/63/568888963.db2.gz HIGYASLDVBLCEL-UHFFFAOYSA-N 0 0 434.514 3.521 50 0 IHAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000090609691 568891568 /nfs/dbraw/zinc/89/15/68/568891568.db2.gz PYMDGOVZGKGWKM-LLVKDONJSA-N 0 0 427.448 3.800 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)CSc2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000090610085 568891617 /nfs/dbraw/zinc/89/16/17/568891617.db2.gz ANMUEAUKWRXFDB-UHFFFAOYSA-N 0 0 434.949 3.626 50 0 IHAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000090610292 568892306 /nfs/dbraw/zinc/89/23/06/568892306.db2.gz IOLNNSOZFLHUNV-UHFFFAOYSA-N 0 0 438.549 3.665 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000064227618 568893939 /nfs/dbraw/zinc/89/39/39/568893939.db2.gz FDSIIYLSNZHBJC-BSGVFPLJSA-N 0 0 441.915 3.628 50 0 IHAARN CCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000013003296 568898546 /nfs/dbraw/zinc/89/85/46/568898546.db2.gz SZSIAUZOBNLIKD-AWEZNQCLSA-N 0 0 432.489 3.787 50 0 IHAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000013005920 568899365 /nfs/dbraw/zinc/89/93/65/568899365.db2.gz DRBLMVUVHYIFIO-UHFFFAOYSA-N 0 0 428.279 3.587 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000026640015 568905314 /nfs/dbraw/zinc/90/53/14/568905314.db2.gz JOOWLDGEPCEBSO-UHFFFAOYSA-N 0 0 430.526 3.583 50 0 IHAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001779982 568906719 /nfs/dbraw/zinc/90/67/19/568906719.db2.gz QNVGNIFIJFWFSZ-LBPRGKRZSA-N 0 0 437.901 3.717 50 0 IHAARN O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccccc2Br)s1 ZINC000026692339 568907750 /nfs/dbraw/zinc/90/77/50/568907750.db2.gz BPHTWPQUXDDZSA-UHFFFAOYSA-N 0 0 430.327 3.865 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000239338781 568911182 /nfs/dbraw/zinc/91/11/82/568911182.db2.gz LFBZXRHYVFESHI-SFYKDHMMSA-N 0 0 426.582 3.615 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000239347194 568911204 /nfs/dbraw/zinc/91/12/04/568911204.db2.gz MIRIBSFCSZGVKW-LMMKCTJWSA-N 0 0 437.883 3.562 50 0 IHAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(C(=O)c3ccco3)CC1)c2-n1cccc1 ZINC000016494150 568918868 /nfs/dbraw/zinc/91/88/68/568918868.db2.gz FKHKMSYCVCQUQI-UHFFFAOYSA-N 0 0 434.521 3.895 50 0 IHAARN COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccccc1OC ZINC000089334941 568920556 /nfs/dbraw/zinc/92/05/56/568920556.db2.gz QMCZCNXGXWOQOK-VXKWHMMOSA-N 0 0 438.568 3.717 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000089350786 568921238 /nfs/dbraw/zinc/92/12/38/568921238.db2.gz GIONCRYLKZMKPW-UHFFFAOYSA-N 0 0 427.320 3.525 50 0 IHAARN CN(c1ccc(OC(=O)c2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 ZINC000089365275 568921280 /nfs/dbraw/zinc/92/12/80/568921280.db2.gz PYUZFUXLEJZXPT-UHFFFAOYSA-N 0 0 425.462 3.502 50 0 IHAARN CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 ZINC000001914710 568922495 /nfs/dbraw/zinc/92/24/95/568922495.db2.gz IKVRFFSTILNCAW-OAQYLSRUSA-N 0 0 434.500 3.788 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917057 568922688 /nfs/dbraw/zinc/92/26/88/568922688.db2.gz PNQWMNAOOUJXRB-GOSISDBHSA-N 0 0 449.290 3.796 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917039 568922717 /nfs/dbraw/zinc/92/27/17/568922717.db2.gz FIQFOYGHGHIAJW-IBGZPJMESA-N 0 0 442.899 3.841 50 0 IHAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)cc1 ZINC000064438450 568928329 /nfs/dbraw/zinc/92/83/29/568928329.db2.gz ITPQUHPWUJPGRV-UHFFFAOYSA-N 0 0 435.568 3.853 50 0 IHAARN CC[C@H](C)NC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450150 568929092 /nfs/dbraw/zinc/92/90/92/568929092.db2.gz FWKUYHGFKJQLTQ-AWEZNQCLSA-N 0 0 430.350 3.880 50 0 IHAARN CCCCn1c2nc(COC(=O)C3CCC(C(C)(C)C)CC3)n(CC)c2c(=O)[nH]c1=O ZINC000006528497 568929557 /nfs/dbraw/zinc/92/95/57/568929557.db2.gz BRPLWQIPQYCUHT-UHFFFAOYSA-N 0 0 432.565 3.602 50 0 IHAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(C(=O)[O-])c2)CC1 ZINC000064461951 568929659 /nfs/dbraw/zinc/92/96/59/568929659.db2.gz MKCRUJRGCZSVKF-UHFFFAOYSA-N 0 0 445.585 3.526 50 0 IHAARN Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000064566401 568933186 /nfs/dbraw/zinc/93/31/86/568933186.db2.gz MFJJYHMPZSXXOK-UHFFFAOYSA-N 0 0 432.406 3.957 50 0 IHAARN Cc1ccc(-c2nnc(-c3nn(C)c4c3CN(S(=O)(=O)c3cccc(C)c3)CC4)o2)cc1 ZINC000064566640 568933536 /nfs/dbraw/zinc/93/35/36/568933536.db2.gz XDXWMYXSPCONBZ-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN O=C1C[C@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000096834555 568934400 /nfs/dbraw/zinc/93/44/00/568934400.db2.gz UBIFFCVIEQPKFB-IBGZPJMESA-N 0 0 429.398 3.757 50 0 biogenic IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000064580466 568934459 /nfs/dbraw/zinc/93/44/59/568934459.db2.gz DRSHPGWDIIEVCB-INIZCTEOSA-N 0 0 437.565 3.918 50 0 IHAARN Cc1ccc(-c2nn3c(nc(CNC(=O)[C@@H](C)Oc4cccc(C)c4)cc3=O)s2)cc1 ZINC000064588599 568934674 /nfs/dbraw/zinc/93/46/74/568934674.db2.gz HNFDEPMJKTZAAV-MRXNPFEDSA-N 0 0 434.521 3.519 50 0 IHAARN CCn1c2cc(NC(=O)NCc3ccc(OC)cc3)c(N3CCCC3)cc2n(CC)c1=O ZINC000064591122 568935496 /nfs/dbraw/zinc/93/54/96/568935496.db2.gz BNGKRLOZVDYVQB-UHFFFAOYSA-N 0 0 437.544 3.773 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccccc2OCC)nc2ccccc2c1=O ZINC000006600209 568935638 /nfs/dbraw/zinc/93/56/38/568935638.db2.gz BEPQNJQIWKTTAU-UHFFFAOYSA-N 0 0 441.553 3.953 50 0 IHAARN COc1ccc(-n2ccn3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064593257 568935807 /nfs/dbraw/zinc/93/58/07/568935807.db2.gz ZSZIPWMGHCMWPD-INIZCTEOSA-N 0 0 434.521 3.869 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1cccc(Cl)c1 ZINC000064593880 568936153 /nfs/dbraw/zinc/93/61/53/568936153.db2.gz UDJCONSMRKCOCO-UHFFFAOYSA-N 0 0 432.839 3.787 50 0 IHAARN Cc1nc(Cl)ccc1C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000089536887 568936738 /nfs/dbraw/zinc/93/67/38/568936738.db2.gz DOUAHBHWDAHYEI-QGZVFWFLSA-N 0 0 427.854 3.866 50 0 IHAARN COCCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C)oc3c2C1 ZINC000054313729 568938777 /nfs/dbraw/zinc/93/87/77/568938777.db2.gz KRWKZADZBIALIK-UHFFFAOYSA-N 0 0 439.464 3.869 50 0 biogenic IHAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1C(=O)N2 ZINC000064604750 568938913 /nfs/dbraw/zinc/93/89/13/568938913.db2.gz HBIVHPZUVAMSSU-CHWSQXEVSA-N 0 0 436.917 3.804 50 0 IHAARN O=C(NCCN1CCc2ccccc2C1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064606094 568939884 /nfs/dbraw/zinc/93/98/84/568939884.db2.gz UYTKWOVAMMFPHL-UHFFFAOYSA-N 0 0 431.540 3.515 50 0 IHAARN Cc1ccc(C)c(CNC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c1 ZINC000064611434 568940235 /nfs/dbraw/zinc/94/02/35/568940235.db2.gz CHTFKFVNCDIBMF-SANMLTNESA-N 0 0 433.596 3.778 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1nc2c(s1)CCCC2)C(F)(F)F ZINC000002050299 568940726 /nfs/dbraw/zinc/94/07/26/568940726.db2.gz HBTACSFDLYDDGM-KRWDZBQOSA-N 0 0 447.866 3.949 50 0 IHAARN CCCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000064611720 568941487 /nfs/dbraw/zinc/94/14/87/568941487.db2.gz QKCBBYPBXFHOMI-INIZCTEOSA-N 0 0 440.569 3.793 50 0 IHAARN COc1cccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc3=O)c1 ZINC000064611709 568941585 /nfs/dbraw/zinc/94/15/85/568941585.db2.gz WJUQGCHTQASWQI-INIZCTEOSA-N 0 0 440.569 3.649 50 0 IHAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000064670158 568943691 /nfs/dbraw/zinc/94/36/91/568943691.db2.gz AGTYSNWJKWEGGK-UHFFFAOYSA-N 0 0 432.523 3.724 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)c1 ZINC000064710154 568944672 /nfs/dbraw/zinc/94/46/72/568944672.db2.gz QWCNJOWEYKBWST-UHFFFAOYSA-N 0 0 437.550 3.711 50 0 IHAARN O=C(NC1CC1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(F)cc2F)n1 ZINC000036065914 568945095 /nfs/dbraw/zinc/94/50/95/568945095.db2.gz GPBSYFLCZHAGJJ-UHFFFAOYSA-N 0 0 441.434 3.776 50 0 IHAARN COc1cccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073553 568946577 /nfs/dbraw/zinc/94/65/77/568946577.db2.gz HYVWNIMZCZXZAC-LJQANCHMSA-N 0 0 435.524 3.919 50 0 IHAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2cccnc2)co1)Cc1cc(OC)ccc1OC ZINC000036082614 568946837 /nfs/dbraw/zinc/94/68/37/568946837.db2.gz XRQILXGZFJFZLQ-KRWDZBQOSA-N 0 0 438.528 3.818 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083901 568947636 /nfs/dbraw/zinc/94/76/36/568947636.db2.gz QMHZAJFJKJDDII-HXUWFJFHSA-N 0 0 432.423 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3Cl)c2=O)cc1 ZINC000064775311 568954525 /nfs/dbraw/zinc/95/45/25/568954525.db2.gz PLJCUILJBKUYAC-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN CCN(CCCNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)c1cccc(C)c1 ZINC000064776037 568955086 /nfs/dbraw/zinc/95/50/86/568955086.db2.gz QEGZRUKTBFMPFI-IBGZPJMESA-N 0 0 445.567 3.790 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CC1)C(C)C ZINC000036117689 568955912 /nfs/dbraw/zinc/95/59/12/568955912.db2.gz LBTBMGHFEAVEAY-IBGZPJMESA-N 0 0 442.581 3.909 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccs2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787666 568956266 /nfs/dbraw/zinc/95/62/66/568956266.db2.gz YLPMLCLPMNPTDR-OAQYLSRUSA-N 0 0 435.549 3.930 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000036119988 568956963 /nfs/dbraw/zinc/95/69/63/568956963.db2.gz IRBBBWAITXRGBI-OAQYLSRUSA-N 0 0 444.597 3.836 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000064789991 568957210 /nfs/dbraw/zinc/95/72/10/568957210.db2.gz JSLXGFQISWDLGH-HNNXBMFYSA-N 0 0 432.480 3.705 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H]1CCCO1 ZINC000036122064 568958201 /nfs/dbraw/zinc/95/82/01/568958201.db2.gz MTPLCBFFQNUCNV-FPOVZHCZSA-N 0 0 442.581 3.589 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1 ZINC000064792722 568959442 /nfs/dbraw/zinc/95/94/42/568959442.db2.gz ZEPGCEBSXNHYHW-XMMPIXPASA-N 0 0 436.519 3.748 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCCCC2)cc1 ZINC000064793271 568959520 /nfs/dbraw/zinc/95/95/20/568959520.db2.gz XCMAFAOPKKJFAX-HSZRJFAPSA-N 0 0 428.540 3.753 50 0 IHAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)NC(C)C)ccc1N(C)C ZINC000006722101 568962954 /nfs/dbraw/zinc/96/29/54/568962954.db2.gz MUSRFIOKVOEDOA-UHFFFAOYSA-N 0 0 430.524 3.597 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccco3)c(=O)c21 ZINC000064817475 568964658 /nfs/dbraw/zinc/96/46/58/568964658.db2.gz WIACKCSZUDIIKS-UHFFFAOYSA-N 0 0 437.525 3.602 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000064820688 568967244 /nfs/dbraw/zinc/96/72/44/568967244.db2.gz WLMMBSQIVZZNBY-SFHVURJKSA-N 0 0 437.540 3.958 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1cccc(OC)c1 ZINC000036166392 568968442 /nfs/dbraw/zinc/96/84/42/568968442.db2.gz KHRYAMQPEADHQE-XMMPIXPASA-N 0 0 438.549 3.779 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000064835699 568968897 /nfs/dbraw/zinc/96/88/97/568968897.db2.gz CNWMTNOSYZYLCW-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1 ZINC000064839148 568969449 /nfs/dbraw/zinc/96/94/49/568969449.db2.gz ZRWCICLOZIVNMG-UHFFFAOYSA-N 0 0 436.943 3.737 50 0 IHAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(OC)c(OC)c3)no2)cc1 ZINC000064840464 568969887 /nfs/dbraw/zinc/96/98/87/568969887.db2.gz LJXOSKFMLPBWJK-UHFFFAOYSA-N 0 0 440.500 3.935 50 0 IHAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(Br)cc3)no2)c1 ZINC000064841438 568970078 /nfs/dbraw/zinc/97/00/78/568970078.db2.gz NASPFCOEJUHBGB-UHFFFAOYSA-N 0 0 436.331 3.671 50 0 IHAARN Cc1ccc(F)cc1S(=O)(=O)N(C)CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000064841536 568970270 /nfs/dbraw/zinc/97/02/70/568970270.db2.gz VDPLUDKMUWSHEM-UHFFFAOYSA-N 0 0 439.896 3.613 50 0 IHAARN CCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000064841532 568970340 /nfs/dbraw/zinc/97/03/40/568970340.db2.gz BGWYTJVEVGUJAI-UHFFFAOYSA-N 0 0 435.933 3.728 50 0 IHAARN CCCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cccc(C)c3)n2)cc1 ZINC000064841777 568970507 /nfs/dbraw/zinc/97/05/07/568970507.db2.gz OUBRNVPNCFQROD-UHFFFAOYSA-N 0 0 429.542 3.773 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000064841874 568970524 /nfs/dbraw/zinc/97/05/24/568970524.db2.gz AEVIPKGJEMQBPM-UHFFFAOYSA-N 0 0 445.541 3.527 50 0 IHAARN CC[C@H](C(=O)Nc1ccccc1OC)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842368 568970906 /nfs/dbraw/zinc/97/09/06/568970906.db2.gz XOTMTQLGMYGRHP-GOSISDBHSA-N 0 0 448.479 3.967 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NC3CCCCC3)CC2)cc(OC)c1OC ZINC000064846808 568972243 /nfs/dbraw/zinc/97/22/43/568972243.db2.gz DSCITFMBCVUGBF-UHFFFAOYSA-N 0 0 433.549 3.795 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c(OC)c1 ZINC000064859474 568972541 /nfs/dbraw/zinc/97/25/41/568972541.db2.gz VJULYGJWMGVPLG-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN C[C@H]1CCCCN1C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209128 568973595 /nfs/dbraw/zinc/97/35/95/568973595.db2.gz XOIMUCBQFOWVDQ-LAUBAEHRSA-N 0 0 445.629 3.676 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036209477 568973659 /nfs/dbraw/zinc/97/36/59/568973659.db2.gz TTXXFHMBHNMSGU-UWJYYQICSA-N 0 0 441.597 3.622 50 0 IHAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000064861763 568973843 /nfs/dbraw/zinc/97/38/43/568973843.db2.gz OAIVYWQKKFIBLD-UHFFFAOYSA-N 0 0 441.597 3.812 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)NCc1ccc(Cl)cc1 ZINC000064866407 568974451 /nfs/dbraw/zinc/97/44/51/568974451.db2.gz MJKFHJJMJFKWHB-UHFFFAOYSA-N 0 0 448.928 3.792 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210653 568975005 /nfs/dbraw/zinc/97/50/05/568975005.db2.gz MQPACAOOYUAPJF-CVDCTZTESA-N 0 0 435.568 3.561 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210636 568975008 /nfs/dbraw/zinc/97/50/08/568975008.db2.gz DIUDZNFVNFGJSU-UTKZUKDTSA-N 0 0 441.597 3.622 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036210686 568975184 /nfs/dbraw/zinc/97/51/84/568975184.db2.gz NIGHHAVDOJVNFW-HYBUGGRVSA-N 0 0 449.595 3.869 50 0 IHAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)c1 ZINC000064868282 568975429 /nfs/dbraw/zinc/97/54/29/568975429.db2.gz QSQMLDHRTCXFIN-UHFFFAOYSA-N 0 0 446.550 3.583 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCc3nc(-c4cccc(OC)c4)sc3C2)cc1 ZINC000064868294 568975531 /nfs/dbraw/zinc/97/55/31/568975531.db2.gz UHPKUUIGJPWFPS-UHFFFAOYSA-N 0 0 430.551 3.964 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036211982 568975811 /nfs/dbraw/zinc/97/58/11/568975811.db2.gz GGZGQILQLQRTOT-HYBUGGRVSA-N 0 0 449.595 3.869 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036212786 568976605 /nfs/dbraw/zinc/97/66/05/568976605.db2.gz OKXOZTPOCAEJPU-DEOSSOPVSA-N 0 0 447.579 3.658 50 0 IHAARN Cc1cccc(-c2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)ncn2)c1 ZINC000064872750 568978137 /nfs/dbraw/zinc/97/81/37/568978137.db2.gz BMPOOXXTXCZFCX-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN COc1ccc(/C=C/c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C(C)C)no2)cc1OC ZINC000064890745 568981359 /nfs/dbraw/zinc/98/13/59/568981359.db2.gz FUZAXHBJWWRFEE-UXBLZVDNSA-N 0 0 434.452 3.508 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)Nc2cccc(Cl)c2)n1 ZINC000064892045 568982893 /nfs/dbraw/zinc/98/28/93/568982893.db2.gz MYEZCQBTAAEZHK-HNNXBMFYSA-N 0 0 436.899 3.517 50 0 IHAARN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036250199 568983894 /nfs/dbraw/zinc/98/38/94/568983894.db2.gz KYEQEWLEUXAXLD-PXDATVDWSA-N 0 0 425.617 3.723 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036252335 568984116 /nfs/dbraw/zinc/98/41/16/568984116.db2.gz KHDXUUJIHNRFBP-LADGPHEKSA-N 0 0 435.568 3.790 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036254835 568984770 /nfs/dbraw/zinc/98/47/70/568984770.db2.gz MOQCVHGZIJPFTB-HSZRJFAPSA-N 0 0 441.522 3.598 50 0 IHAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)Nc2ccc(F)c(Cl)c2)n1C ZINC000064922878 568986024 /nfs/dbraw/zinc/98/60/24/568986024.db2.gz QLYSKGZRANHSBR-UHFFFAOYSA-N 0 0 427.929 3.799 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2cc(N3CCCC3)ncn2)c1C ZINC000064924579 568986288 /nfs/dbraw/zinc/98/62/88/568986288.db2.gz OQKCXGIJKHHQJD-UHFFFAOYSA-N 0 0 434.544 3.768 50 0 IHAARN COc1cccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)c1 ZINC000064924792 568986360 /nfs/dbraw/zinc/98/63/60/568986360.db2.gz MFMMAZFQYLZMBX-UHFFFAOYSA-N 0 0 448.571 3.527 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)ccc2=O)cc1 ZINC000064928329 568987513 /nfs/dbraw/zinc/98/75/13/568987513.db2.gz AOOYBJUCKXKEKF-QFIPXVFZSA-N 0 0 430.552 3.636 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929957 568988358 /nfs/dbraw/zinc/98/83/58/568988358.db2.gz UUKQWYDPKZDNDB-QGZVFWFLSA-N 0 0 444.463 3.811 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064930255 568988635 /nfs/dbraw/zinc/98/86/35/568988635.db2.gz DXLOGEXWPKILDB-HNNXBMFYSA-N 0 0 440.456 3.636 50 0 IHAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064930918 568989193 /nfs/dbraw/zinc/98/91/93/568989193.db2.gz STQGBBZHIBNIGZ-QGZVFWFLSA-N 0 0 446.529 3.596 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2S(=O)(=O)c2ccccc2)s1 ZINC000064941006 568989503 /nfs/dbraw/zinc/98/95/03/568989503.db2.gz DUTICQICAPVCDP-MRXNPFEDSA-N 0 0 448.957 3.970 50 0 IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2cccc(SC)c2)c1=O ZINC000064942324 568991290 /nfs/dbraw/zinc/99/12/90/568991290.db2.gz SXOAEFBGORBZBE-UHFFFAOYSA-N 0 0 440.550 3.544 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2ccc(NCc3ccc(F)cc3)nn2)c1 ZINC000064944999 568993491 /nfs/dbraw/zinc/99/34/91/568993491.db2.gz UNWQIKVBTGGIBG-UHFFFAOYSA-N 0 0 428.489 3.976 50 0 IHAARN Cc1ccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000064946455 568994301 /nfs/dbraw/zinc/99/43/01/568994301.db2.gz IPIULYHLCCNFCP-UHFFFAOYSA-N 0 0 436.924 3.931 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000064946983 568994931 /nfs/dbraw/zinc/99/49/31/568994931.db2.gz FFHIRUACJLIKMX-UHFFFAOYSA-N 0 0 442.560 3.756 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c(C)c1 ZINC000064950632 568995672 /nfs/dbraw/zinc/99/56/72/568995672.db2.gz AOBGVIOMZJGUME-UHFFFAOYSA-N 0 0 445.560 3.533 50 0 IHAARN COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 ZINC000064951907 568997139 /nfs/dbraw/zinc/99/71/39/568997139.db2.gz ONTHFKDOIFIPQW-GFCCVEGCSA-N 0 0 429.860 3.936 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311884 568997378 /nfs/dbraw/zinc/99/73/78/568997378.db2.gz UCPFYMJAKQLOGM-QFIPXVFZSA-N 0 0 427.495 3.920 50 0 IHAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036313295 568998530 /nfs/dbraw/zinc/99/85/30/568998530.db2.gz BZXKCSOOEAUSCC-GOSISDBHSA-N 0 0 445.535 3.871 50 0 IHAARN COc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000064959201 568999814 /nfs/dbraw/zinc/99/98/14/568999814.db2.gz ZSKHLCRMPDXUCE-HNNXBMFYSA-N 0 0 448.475 3.566 50 0 IHAARN Cc1cccc(CN2CCCn3nc(C(=O)NCCc4ccccc4Cl)cc3C2=O)c1 ZINC000064959792 568999982 /nfs/dbraw/zinc/99/99/82/568999982.db2.gz URTQDVINZNTVMM-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN COc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000064960773 569000441 /nfs/dbraw/zinc/00/04/41/569000441.db2.gz AFOFIHCOUIOULE-UHFFFAOYSA-N 0 0 427.526 3.930 50 0 IHAARN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)ccc1Br ZINC000064963966 569000843 /nfs/dbraw/zinc/00/08/43/569000843.db2.gz DOCDTTHHBBZDNV-UHFFFAOYSA-N 0 0 440.363 3.523 50 0 IHAARN CSc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000064971302 569076507 /nfs/dbraw/zinc/07/65/07/569076507.db2.gz HMCZFGRLLMTUMZ-QGZVFWFLSA-N 0 0 447.564 3.798 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000064972056 569076758 /nfs/dbraw/zinc/07/67/58/569076758.db2.gz SEONUEQGDSURSX-QHCPKHFHSA-N 0 0 436.533 3.840 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCCc2ccccc2)c1 ZINC000064972395 569076908 /nfs/dbraw/zinc/07/69/08/569076908.db2.gz WKLLKFOUUCVBJW-RUZDIDTESA-N 0 0 448.588 3.860 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000064976968 569077373 /nfs/dbraw/zinc/07/73/73/569077373.db2.gz IMKIEPPZHQAHML-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)CCc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1 ZINC000064980045 569078308 /nfs/dbraw/zinc/07/83/08/569078308.db2.gz KVTFPBGWJQHPPJ-UHFFFAOYSA-N 0 0 437.525 3.921 50 0 IHAARN COc1ccc(OCC(=O)Nc2nn3c(nnc3-c3ccc(F)c(Cl)c3)s2)cc1 ZINC000064980445 569078449 /nfs/dbraw/zinc/07/84/49/569078449.db2.gz BERCPLROWFCWCL-UHFFFAOYSA-N 0 0 433.852 3.671 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000036342888 569079505 /nfs/dbraw/zinc/07/95/05/569079505.db2.gz QUHGQWVQCBZIRV-RPWUZVMVSA-N 0 0 449.551 3.791 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985267 569081877 /nfs/dbraw/zinc/08/18/77/569081877.db2.gz GLTWHFKTFTXQKK-FQEVSTJZSA-N 0 0 428.897 3.935 50 0 IHAARN CC(C)CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985442 569082014 /nfs/dbraw/zinc/08/20/14/569082014.db2.gz QOMLYZKAVCEBBW-NRFANRHFSA-N 0 0 430.570 3.713 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)Oc3ccc(C)cc32)cc1 ZINC000064985778 569082115 /nfs/dbraw/zinc/08/21/15/569082115.db2.gz QIMJNAQZEKPVAI-JOCHJYFZSA-N 0 0 428.554 3.709 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3ccc(Cl)cc32)cc1 ZINC000064986101 569082132 /nfs/dbraw/zinc/08/21/32/569082132.db2.gz NAAQLBJNFGIEJJ-FQEVSTJZSA-N 0 0 434.945 3.664 50 0 IHAARN COc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C3CC3)c3ccccc31)OCCCO2 ZINC000064987053 569082552 /nfs/dbraw/zinc/08/25/52/569082552.db2.gz MZONUMIHBXSETN-UHFFFAOYSA-N 0 0 434.492 3.720 50 0 IHAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3Cl)o2)cc1 ZINC000064988128 569082958 /nfs/dbraw/zinc/08/29/58/569082958.db2.gz YDHOHFICCWSCAE-HNNXBMFYSA-N 0 0 449.916 3.523 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001954388 569085747 /nfs/dbraw/zinc/08/57/47/569085747.db2.gz PDMLXEUFIJDWRZ-UHFFFAOYSA-N 0 0 446.502 3.651 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000036360684 569086678 /nfs/dbraw/zinc/08/66/78/569086678.db2.gz KAPSCCONFHDGEW-RTWAWAEBSA-N 0 0 449.532 3.798 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCCc4ccccc43)cc2)o1 ZINC000036364790 569086695 /nfs/dbraw/zinc/08/66/95/569086695.db2.gz MOYAOUAIXDRDJK-UHFFFAOYSA-N 0 0 440.521 3.702 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000065006354 569087418 /nfs/dbraw/zinc/08/74/18/569087418.db2.gz WTIQPAHFSRVYPK-FQEVSTJZSA-N 0 0 441.597 3.964 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c(OC)c1 ZINC000065007785 569087710 /nfs/dbraw/zinc/08/77/10/569087710.db2.gz SWEWJUBBFALMCG-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1ccccc1Nc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nn1 ZINC000065009639 569088025 /nfs/dbraw/zinc/08/80/25/569088025.db2.gz JORYNBBDBRNOTK-UHFFFAOYSA-N 0 0 440.525 3.689 50 0 IHAARN CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)c1OC ZINC000036369844 569088358 /nfs/dbraw/zinc/08/83/58/569088358.db2.gz IHOZVHFRHUHNQK-UHFFFAOYSA-N 0 0 437.544 3.856 50 0 biogenic IHAARN O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)Nc1ccc(F)cc1F ZINC000065025827 569090775 /nfs/dbraw/zinc/09/07/75/569090775.db2.gz SHZFUWQFQOZENY-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN COc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccc(C)cc3)nn2)CC1 ZINC000065026074 569090836 /nfs/dbraw/zinc/09/08/36/569090836.db2.gz KFIJMSVZIBRIII-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN COc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccccc3)nn2)CC1 ZINC000065026053 569090872 /nfs/dbraw/zinc/09/08/72/569090872.db2.gz JSWMSNNZZSDQJV-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030659 569091294 /nfs/dbraw/zinc/09/12/94/569091294.db2.gz GMTAJSBDHKWYIB-UHFFFAOYSA-N 0 0 442.488 3.611 50 0 IHAARN Cc1ccc(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1C ZINC000065030739 569091373 /nfs/dbraw/zinc/09/13/73/569091373.db2.gz LJEAHTANDMVVSC-UHFFFAOYSA-N 0 0 437.569 3.766 50 0 IHAARN Cc1cccc(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1C ZINC000065030713 569091394 /nfs/dbraw/zinc/09/13/94/569091394.db2.gz XMODKBKGCOBMDL-UHFFFAOYSA-N 0 0 437.569 3.766 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)c(=O)c2c1 ZINC000065034774 569092275 /nfs/dbraw/zinc/09/22/75/569092275.db2.gz QBIQZNJIVWTYNR-UHFFFAOYSA-N 0 0 439.581 3.929 50 0 IHAARN COc1cccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1OC ZINC000169754028 569093731 /nfs/dbraw/zinc/09/37/31/569093731.db2.gz OPWGLFOZTAUDMB-INIZCTEOSA-N 0 0 426.904 3.756 50 0 IHAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)c1 ZINC000169758950 569093885 /nfs/dbraw/zinc/09/38/85/569093885.db2.gz KNPMMDRSOVKUIL-QHCPKHFHSA-N 0 0 444.535 3.954 50 0 IHAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C(F)(F)F)cc3)C3=C2C(=O)OC3)cc1 ZINC000169757991 569094100 /nfs/dbraw/zinc/09/41/00/569094100.db2.gz WUNKJCKDEAXSIN-IBGZPJMESA-N 0 0 445.397 3.530 50 0 IHAARN Cc1cccc(Cl)c1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000169757907 569094173 /nfs/dbraw/zinc/09/41/73/569094173.db2.gz IOVMBWWQDDWLRU-LJQANCHMSA-N 0 0 446.290 3.818 50 0 IHAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C2=C1C(=O)OC2 ZINC000169758186 569094355 /nfs/dbraw/zinc/09/43/55/569094355.db2.gz JIWFPPGJVXPNGN-HSZRJFAPSA-N 0 0 449.507 3.725 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 ZINC000169760222 569094519 /nfs/dbraw/zinc/09/45/19/569094519.db2.gz IKIAUFKMNVOSCD-UHFFFAOYSA-N 0 0 426.520 3.662 50 0 IHAARN COc1cccc(CNC(=O)CCc2nc3onc(C)c3c(N3C[C@H](C)C[C@H](C)C3)n2)c1 ZINC000065056700 569094907 /nfs/dbraw/zinc/09/49/07/569094907.db2.gz AIZDBKNGKZYNHL-IYBDPMFKSA-N 0 0 437.544 3.666 50 0 IHAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056709 569094933 /nfs/dbraw/zinc/09/49/33/569094933.db2.gz YHVWIYOTCDWGJO-GASCZTMLSA-N 0 0 425.508 3.797 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cc(OC)ccc3OC)C2)c1 ZINC000065058811 569095549 /nfs/dbraw/zinc/09/55/49/569095549.db2.gz VNNHMROXJRZKJC-DEOSSOPVSA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)cc1 ZINC000065059280 569095942 /nfs/dbraw/zinc/09/59/42/569095942.db2.gz VUPOZSNHRBVVFX-DEOSSOPVSA-N 0 0 444.597 3.728 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000065059457 569096109 /nfs/dbraw/zinc/09/61/09/569096109.db2.gz AACCYKOGNYOIEE-HSZRJFAPSA-N 0 0 432.561 3.885 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000065059516 569096193 /nfs/dbraw/zinc/09/61/93/569096193.db2.gz VGVMRJOBWFRDEX-NRFANRHFSA-N 0 0 438.952 3.895 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000036390870 569097442 /nfs/dbraw/zinc/09/74/42/569097442.db2.gz IJIMXYOZRFMCJM-QHCPKHFHSA-N 0 0 427.489 3.988 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000036390871 569097465 /nfs/dbraw/zinc/09/74/65/569097465.db2.gz IJIMXYOZRFMCJM-HSZRJFAPSA-N 0 0 427.489 3.988 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@@H]3CCCCCN3C4=O)CC2)c1 ZINC000169766420 569097541 /nfs/dbraw/zinc/09/75/41/569097541.db2.gz IXSIRFOBRJEKOS-DEOSSOPVSA-N 0 0 432.568 3.750 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000036394803 569098725 /nfs/dbraw/zinc/09/87/25/569098725.db2.gz ARAYVIZNMRNQRM-UHFFFAOYSA-N 0 0 436.555 3.506 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc21)N1CCCCC1 ZINC000065076010 569099165 /nfs/dbraw/zinc/09/91/65/569099165.db2.gz UCXIUNYLNZIERY-UHFFFAOYSA-N 0 0 434.475 3.614 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075161 569099490 /nfs/dbraw/zinc/09/94/90/569099490.db2.gz YPVULTZOOBWHIN-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1ccccc1Cl ZINC000065075672 569099717 /nfs/dbraw/zinc/09/97/17/569099717.db2.gz ACKCBJCFGDJKFO-UHFFFAOYSA-N 0 0 426.908 3.579 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077257 569100157 /nfs/dbraw/zinc/10/01/57/569100157.db2.gz XLYLHOMIVPCXES-GFCCVEGCSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000065078413 569100514 /nfs/dbraw/zinc/10/05/14/569100514.db2.gz VQUOPTDCAALRKL-OAHLLOKOSA-N 0 0 432.567 3.502 50 0 IHAARN Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078414 569100667 /nfs/dbraw/zinc/10/06/67/569100667.db2.gz VQUOPTDCAALRKL-HNNXBMFYSA-N 0 0 432.567 3.502 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1F ZINC000065077992 569100775 /nfs/dbraw/zinc/10/07/75/569100775.db2.gz OKHBVITUOWASIP-CYBMUJFWSA-N 0 0 436.530 3.759 50 0 IHAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)cc2NC1=O ZINC000065078151 569100903 /nfs/dbraw/zinc/10/09/03/569100903.db2.gz MZTWQZLGSSBITB-GFCCVEGCSA-N 0 0 438.958 3.823 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)cc1 ZINC000169775904 569101969 /nfs/dbraw/zinc/10/19/69/569101969.db2.gz SRMGGFSIMZTSQE-UHFFFAOYSA-N 0 0 430.508 3.609 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(F)cc1)CO2 ZINC000065082655 569102436 /nfs/dbraw/zinc/10/24/36/569102436.db2.gz QDIGRDQMTIVEMK-GOSISDBHSA-N 0 0 434.467 3.954 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCN(c2ccccc2F)CC1 ZINC000065085111 569102778 /nfs/dbraw/zinc/10/27/78/569102778.db2.gz GJVYLPIDBSEKIA-UHFFFAOYSA-N 0 0 430.526 3.682 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169780692 569103149 /nfs/dbraw/zinc/10/31/49/569103149.db2.gz PVZCCMHPPDMUQD-KRWDZBQOSA-N 0 0 444.495 3.626 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000169779758 569103298 /nfs/dbraw/zinc/10/32/98/569103298.db2.gz MROZBHZHMJGHFZ-UHFFFAOYSA-N 0 0 428.895 3.610 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(C)cc4)no3)n2C)c1 ZINC000065099992 569104854 /nfs/dbraw/zinc/10/48/54/569104854.db2.gz AYTRVFBNMVLRFH-UHFFFAOYSA-N 0 0 448.508 3.774 50 0 IHAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 ZINC000065099399 569105204 /nfs/dbraw/zinc/10/52/04/569105204.db2.gz GVQXKVRSBJUVNL-UHFFFAOYSA-N 0 0 444.564 3.872 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(NCc3ccccc3)nc2=O)c1 ZINC000065101794 569105941 /nfs/dbraw/zinc/10/59/41/569105941.db2.gz VFAQJIWCFWAYOR-UHFFFAOYSA-N 0 0 426.476 3.850 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)C[C@H](C)CC5)cc1 ZINC000065111255 569106363 /nfs/dbraw/zinc/10/63/63/569106363.db2.gz PPQXYDNWTJXYAV-CQSZACIVSA-N 0 0 435.553 3.993 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3sccc3[C@H]2c2ccccc2)NC(=O)N[C@H]1CC ZINC000036420514 569106481 /nfs/dbraw/zinc/10/64/81/569106481.db2.gz MVCPUTXYWLBWHP-LAUBAEHRSA-N 0 0 425.554 3.604 50 0 IHAARN Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000065116758 569107498 /nfs/dbraw/zinc/10/74/98/569107498.db2.gz DAGDGRRSHAVYJR-UHFFFAOYSA-N 0 0 446.554 3.842 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)COc3cccc(Cl)c3)CC2)o1 ZINC000065118055 569108912 /nfs/dbraw/zinc/10/89/12/569108912.db2.gz NDGRIGJHTCMITM-UHFFFAOYSA-N 0 0 441.919 3.636 50 0 IHAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@H]4CCCO4)CC3)n2)c1 ZINC000065131019 569109287 /nfs/dbraw/zinc/10/92/87/569109287.db2.gz FSPWHXDWVDIDJX-HXUWFJFHSA-N 0 0 447.539 3.619 50 0 IHAARN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000036435375 569109424 /nfs/dbraw/zinc/10/94/24/569109424.db2.gz LRWSIOSGPLBNQB-JHMKDJTOSA-N 0 0 441.622 3.948 50 0 IHAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3F)cn2C)sc1C(=O)N1CCCC1 ZINC000065137389 569110354 /nfs/dbraw/zinc/11/03/54/569110354.db2.gz OIAIQLSLZGMYDO-UHFFFAOYSA-N 0 0 448.545 3.633 50 0 IHAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000036447624 569110808 /nfs/dbraw/zinc/11/08/08/569110808.db2.gz LRCCTNVDOZQGFJ-AUSJPIAWSA-N 0 0 436.537 3.786 50 0 IHAARN O=C(Cn1c(=O)cccc1-c1nc(-c2cccc(F)c2)no1)Nc1ccc(F)cc1F ZINC000065150310 569111016 /nfs/dbraw/zinc/11/10/16/569111016.db2.gz BSVPGWPONBYMEV-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN Cc1cc(C(=O)CN2CCN(c3ccccc3O)CC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000036450938 569111317 /nfs/dbraw/zinc/11/13/17/569111317.db2.gz GSHCIPCWOJZMTM-UHFFFAOYSA-N 0 0 447.535 3.592 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)nc23)c(C)c1 ZINC000065151019 569111627 /nfs/dbraw/zinc/11/16/27/569111627.db2.gz ZPUKXDQOVQKZQS-UHFFFAOYSA-N 0 0 437.500 3.745 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065169214 569112700 /nfs/dbraw/zinc/11/27/00/569112700.db2.gz IUYCSKTVIRDZIA-UHFFFAOYSA-N 0 0 433.892 3.692 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1 ZINC000065169162 569112703 /nfs/dbraw/zinc/11/27/03/569112703.db2.gz PHPXTSVGMDSKHG-UHFFFAOYSA-N 0 0 427.913 3.747 50 0 IHAARN CC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)n1 ZINC000065173530 569113238 /nfs/dbraw/zinc/11/32/38/569113238.db2.gz SORIHCPSWXWPQK-GOSISDBHSA-N 0 0 428.602 3.544 50 0 IHAARN CCc1ccc(N(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000065185200 569114144 /nfs/dbraw/zinc/11/41/44/569114144.db2.gz JWXVTJSVRNZABJ-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN COc1ccc(CN(c2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1F ZINC000065185227 569114162 /nfs/dbraw/zinc/11/41/62/569114162.db2.gz XGMXZYQSDIYVEI-UHFFFAOYSA-N 0 0 448.426 3.551 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3cc(F)cc(F)c3)cccn12 ZINC000065185265 569114274 /nfs/dbraw/zinc/11/42/74/569114274.db2.gz WQKWIZJZBNRCIK-UHFFFAOYSA-N 0 0 428.464 3.965 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3nc(-c4cccc(Cl)c4)no3)ccc2=O)c1 ZINC000065197552 569114876 /nfs/dbraw/zinc/11/48/76/569114876.db2.gz CUYXVWWBHCIBAB-UHFFFAOYSA-N 0 0 435.871 3.869 50 0 IHAARN CCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)nc1 ZINC000065197013 569115936 /nfs/dbraw/zinc/11/59/36/569115936.db2.gz LNVWNVSLACXUKY-UHFFFAOYSA-N 0 0 446.555 3.585 50 0 IHAARN CCCN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)CC1 ZINC000065201486 569116217 /nfs/dbraw/zinc/11/62/17/569116217.db2.gz DEJZVALFESKSMV-UHFFFAOYSA-N 0 0 431.989 3.768 50 0 IHAARN CC(C)N1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)CC1 ZINC000065201473 569116229 /nfs/dbraw/zinc/11/62/29/569116229.db2.gz TYWDHUSMAFRJSP-UHFFFAOYSA-N 0 0 431.989 3.766 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3cc(C)ccc3C)c2=O)cc1 ZINC000065212374 569116775 /nfs/dbraw/zinc/11/67/75/569116775.db2.gz HDKXMSOUVCYLGF-UHFFFAOYSA-N 0 0 448.523 3.743 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226351 569117833 /nfs/dbraw/zinc/11/78/33/569117833.db2.gz HGSYLACGORAOFQ-UHFFFAOYSA-N 0 0 433.478 3.628 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1OC ZINC000065229570 569118119 /nfs/dbraw/zinc/11/81/19/569118119.db2.gz ZSSQJPRMZICWQA-UHFFFAOYSA-N 0 0 436.512 3.595 50 0 IHAARN Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000065228536 569118396 /nfs/dbraw/zinc/11/83/96/569118396.db2.gz WKZNHXNSDJFUKE-UHFFFAOYSA-N 0 0 429.524 3.617 50 0 IHAARN CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000036575830 569118506 /nfs/dbraw/zinc/11/85/06/569118506.db2.gz CPBNLIHBFKCVBZ-NOZRDPDXSA-N 0 0 430.548 3.809 50 0 IHAARN CN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3cccc(Cl)c3)cc2C1=O ZINC000065241546 569118695 /nfs/dbraw/zinc/11/86/95/569118695.db2.gz ROXNDCRQYXJKME-UHFFFAOYSA-N 0 0 429.885 3.596 50 0 IHAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3ccccc3F)cc2C1=O ZINC000065241623 569118880 /nfs/dbraw/zinc/11/88/80/569118880.db2.gz RGELUAVLDLEKGL-UHFFFAOYSA-N 0 0 441.484 3.862 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239262 569120183 /nfs/dbraw/zinc/12/01/83/569120183.db2.gz TXNMSAQDBHHWLP-UHFFFAOYSA-N 0 0 449.985 3.723 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239268 569120258 /nfs/dbraw/zinc/12/02/58/569120258.db2.gz JRNFBGTULCSWCB-UHFFFAOYSA-N 0 0 449.985 3.723 50 0 IHAARN C=C1C(N2CCCN(C(=O)C(CCC)CCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239351 569120343 /nfs/dbraw/zinc/12/03/43/569120343.db2.gz ABHOMOGDRKOWOQ-UHFFFAOYSA-N 0 0 431.602 3.910 50 0 IHAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)cc1Cl ZINC000065239870 569120702 /nfs/dbraw/zinc/12/07/02/569120702.db2.gz LBHOAOISOYHVBY-UHFFFAOYSA-N 0 0 426.908 3.813 50 0 IHAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000036589709 569121190 /nfs/dbraw/zinc/12/11/90/569121190.db2.gz KUYFLUWUGFUQKO-LJQANCHMSA-N 0 0 429.904 3.743 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036595034 569121437 /nfs/dbraw/zinc/12/14/37/569121437.db2.gz VVBLMAXIGSGZCQ-MRXNPFEDSA-N 0 0 448.548 3.573 50 0 IHAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)Cn3cccn3)c12 ZINC000036613389 569123870 /nfs/dbraw/zinc/12/38/70/569123870.db2.gz RPKOINYOEBKWOB-QGZVFWFLSA-N 0 0 428.540 3.928 50 0 IHAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccc(C(F)(F)F)s2)C3)cc1 ZINC000065260306 569124042 /nfs/dbraw/zinc/12/40/42/569124042.db2.gz MAZMASFPMWWCHB-UHFFFAOYSA-N 0 0 435.427 3.724 50 0 IHAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013128884 569125233 /nfs/dbraw/zinc/12/52/33/569125233.db2.gz LSNZHNYPSKWYMI-MDRMPYQZSA-N 0 0 449.576 3.566 50 0 IHAARN COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2OC)cc1 ZINC000524729800 569125906 /nfs/dbraw/zinc/12/59/06/569125906.db2.gz JQWOOKXVLUIFEZ-HXUWFJFHSA-N 0 0 449.503 3.773 50 0 biogenic IHAARN COc1ccc(CCC(=O)N2CCCn3nc(-c4ccc(OC)c(OC)c4)cc3C2)cc1 ZINC000065270156 569128042 /nfs/dbraw/zinc/12/80/42/569128042.db2.gz WWOVZXPGDIDXBK-UHFFFAOYSA-N 0 0 435.524 3.941 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524735523 569128149 /nfs/dbraw/zinc/12/81/49/569128149.db2.gz HUMKLFGNQDBPJX-FQEVSTJZSA-N 0 0 431.492 3.500 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274153 569128450 /nfs/dbraw/zinc/12/84/50/569128450.db2.gz CIILEAQTCKUANK-UHFFFAOYSA-N 0 0 448.615 3.705 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000065272706 569129083 /nfs/dbraw/zinc/12/90/83/569129083.db2.gz DQNHPWKODJENAI-KRWDZBQOSA-N 0 0 441.597 3.810 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)CC3)CC1 ZINC000065273394 569129449 /nfs/dbraw/zinc/12/94/49/569129449.db2.gz UXEPOWUVBKZKKG-QGZVFWFLSA-N 0 0 440.613 3.853 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(CC)cc2)CC3)CC1 ZINC000065273565 569129767 /nfs/dbraw/zinc/12/97/67/569129767.db2.gz MMAUSKSCIFYMHX-KRWDZBQOSA-N 0 0 426.586 3.508 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c(F)c1 ZINC000065273669 569129969 /nfs/dbraw/zinc/12/99/69/569129969.db2.gz RMCKHFNXXPIGCI-INIZCTEOSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1c(F)cccc1NC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273666 569130023 /nfs/dbraw/zinc/13/00/23/569130023.db2.gz CTQCPSRGVHYHIU-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1cccc(Nc2nc(N3CCC(C(N)=O)CC3)nc3c2cnn3-c2ccc(F)cc2)c1 ZINC000036656921 569130212 /nfs/dbraw/zinc/13/02/12/569130212.db2.gz KEYQNZVTWAJIBQ-UHFFFAOYSA-N 0 0 445.502 3.708 50 0 IHAARN COc1ccc(SCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000036648623 569130396 /nfs/dbraw/zinc/13/03/96/569130396.db2.gz LSRJXVLBTBSJGU-UHFFFAOYSA-N 0 0 425.476 3.940 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000065289713 569130494 /nfs/dbraw/zinc/13/04/94/569130494.db2.gz XVCPZVFCPGKDOH-LJQANCHMSA-N 0 0 440.540 3.570 50 0 IHAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000065295296 569131383 /nfs/dbraw/zinc/13/13/83/569131383.db2.gz DXYYSESJNYPUAY-UHFFFAOYSA-N 0 0 434.422 3.744 50 0 IHAARN CC1CCN(c2ncnc3c2cnn3CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000065295592 569131514 /nfs/dbraw/zinc/13/15/14/569131514.db2.gz KPHHALUBEWREHS-UHFFFAOYSA-N 0 0 434.422 3.600 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCCC5)CC4)nc32)cc1 ZINC000065296863 569131591 /nfs/dbraw/zinc/13/15/91/569131591.db2.gz WQQNLFOUYAQQQR-UHFFFAOYSA-N 0 0 425.558 3.638 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccco4)CC3)sc12 ZINC000065299605 569132123 /nfs/dbraw/zinc/13/21/23/569132123.db2.gz BGZSRIFTUBZVFH-UHFFFAOYSA-N 0 0 425.489 3.921 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000036695037 569133902 /nfs/dbraw/zinc/13/39/02/569133902.db2.gz OHZPOFBJAZNIIE-JOCHJYFZSA-N 0 0 445.519 3.967 50 0 IHAARN CCCc1nnsc1C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000036704703 569134234 /nfs/dbraw/zinc/13/42/34/569134234.db2.gz WENOMAHHGPRTJF-UHFFFAOYSA-N 0 0 431.562 3.711 50 0 IHAARN O=C(NC1CCCCCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319149 569134684 /nfs/dbraw/zinc/13/46/84/569134684.db2.gz WVYLWJFMKVBEDE-UHFFFAOYSA-N 0 0 446.573 3.754 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700431 569135379 /nfs/dbraw/zinc/13/53/79/569135379.db2.gz PRSSDVMDZCQNMZ-QHCPKHFHSA-N 0 0 432.586 3.526 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4cccnc4)CC3)sc12 ZINC000065314708 569135546 /nfs/dbraw/zinc/13/55/46/569135546.db2.gz DPZHQPMYPTZMQY-UHFFFAOYSA-N 0 0 436.516 3.723 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1CC ZINC000065319853 569136015 /nfs/dbraw/zinc/13/60/15/569136015.db2.gz HDWVYANYVHXFBJ-UHFFFAOYSA-N 0 0 443.598 3.766 50 0 IHAARN CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(C)cc4)ccc3n2CC)CC1 ZINC000065322173 569136583 /nfs/dbraw/zinc/13/65/83/569136583.db2.gz ZYGQWQDJZCSYSR-UHFFFAOYSA-N 0 0 433.556 3.671 50 0 IHAARN COC(=O)c1cccc(Nc2nn3c(nc4ccc(Br)cc4c3=O)s2)c1 ZINC000065329982 569137103 /nfs/dbraw/zinc/13/71/03/569137103.db2.gz AVOZFCUWXQGSFH-UHFFFAOYSA-N 0 0 431.271 3.597 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 ZINC000238845983 569137301 /nfs/dbraw/zinc/13/73/01/569137301.db2.gz IIIYHAFCNZOBTK-UHFFFAOYSA-N 0 0 432.307 3.744 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036802836 569137958 /nfs/dbraw/zinc/13/79/58/569137958.db2.gz CFKDUEBUWLYLGO-QPPBQGQZSA-N 0 0 449.551 3.648 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000036811831 569138164 /nfs/dbraw/zinc/13/81/64/569138164.db2.gz ZMZBNYIAWYXBKM-UHFFFAOYSA-N 0 0 438.952 3.855 50 0 IHAARN COc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000065535050 569139530 /nfs/dbraw/zinc/13/95/30/569139530.db2.gz RGLISVYZIQZSPY-UHFFFAOYSA-N 0 0 428.423 3.742 50 0 IHAARN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1cc(F)cc(N2CCCC2)c1 ZINC000065552628 569139735 /nfs/dbraw/zinc/13/97/35/569139735.db2.gz JUJKYFIMRCTFCC-UHFFFAOYSA-N 0 0 448.292 3.553 50 0 IHAARN Cc1sc(-n2cnnn2)c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C ZINC000526052601 569140537 /nfs/dbraw/zinc/14/05/37/569140537.db2.gz RXFSPIKYCDHVIL-LJQANCHMSA-N 0 0 443.536 3.931 50 0 IHAARN Cc1csc([C@@H](NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C2CC2)n1 ZINC000170595800 569141732 /nfs/dbraw/zinc/14/17/32/569141732.db2.gz FYCGEBMDGXMNKP-INIZCTEOSA-N 0 0 434.562 3.565 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CCn2c(Cc3ccc(F)cc3)nc3ccccc32)C1 ZINC000037263827 569144049 /nfs/dbraw/zinc/14/40/49/569144049.db2.gz KVVJWMCCQJEVSH-IBGZPJMESA-N 0 0 437.515 3.958 50 0 IHAARN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000170611807 569145173 /nfs/dbraw/zinc/14/51/73/569145173.db2.gz WOEBTMWJOOJHBW-NHYWBVRUSA-N 0 0 431.539 3.730 50 0 IHAARN CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)C(C)C ZINC000007522384 569145212 /nfs/dbraw/zinc/14/52/12/569145212.db2.gz UPYDVJVVFNNQCC-QGZVFWFLSA-N 0 0 427.545 3.704 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)c1cccc(Cl)n1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614380 569146401 /nfs/dbraw/zinc/14/64/01/569146401.db2.gz GSUHODJXUCGXTH-FQEVSTJZSA-N 0 0 426.904 3.631 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nccn3-c3ccccc3)c2)cc1 ZINC000170614299 569146420 /nfs/dbraw/zinc/14/64/20/569146420.db2.gz BZJIWQKGFUTGHC-UHFFFAOYSA-N 0 0 448.504 3.934 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H](C)c2c[nH]c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000170615745 569146617 /nfs/dbraw/zinc/14/66/17/569146617.db2.gz PRRDMMFBLAUBOK-HNNXBMFYSA-N 0 0 429.542 3.949 50 0 IHAARN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccccc3Cl)n2)cc1 ZINC000170617236 569147170 /nfs/dbraw/zinc/14/71/70/569147170.db2.gz SZQDXIRHFUEFDM-UHFFFAOYSA-N 0 0 435.958 3.644 50 0 IHAARN O=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccc(Br)cc1-2 ZINC000170620088 569147743 /nfs/dbraw/zinc/14/77/43/569147743.db2.gz SLXRRIYDRXRIJH-UHFFFAOYSA-N 0 0 425.286 3.624 50 0 IHAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCC(Cn2cnnn2)CC1 ZINC000170622293 569147984 /nfs/dbraw/zinc/14/79/84/569147984.db2.gz HQOALPUZJSMWJZ-UHFFFAOYSA-N 0 0 426.424 3.627 50 0 IHAARN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)N1CCCCC1 ZINC000170623150 569148229 /nfs/dbraw/zinc/14/82/29/569148229.db2.gz HKQNLLOJVBWHCH-INIZCTEOSA-N 0 0 428.964 3.925 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CC2SC(=N)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000170623895 569148411 /nfs/dbraw/zinc/14/84/11/569148411.db2.gz MDKVWEDSOGHXPJ-SFHVURJKSA-N 0 0 425.510 3.838 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3Cc4ccccc43)ccc2Cl)C1 ZINC000170627060 569148748 /nfs/dbraw/zinc/14/87/48/569148748.db2.gz LYIOOPDGRUXPSP-YJBOKZPZSA-N 0 0 432.973 3.830 50 0 IHAARN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cc4c(cc(F)cc4C)[nH]3)CC2)cc1 ZINC000170629552 569148886 /nfs/dbraw/zinc/14/88/86/569148886.db2.gz NOADORUHEQOBLB-UHFFFAOYSA-N 0 0 443.544 3.808 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc2cc(Br)cnc2[nH]1 ZINC000170629756 569148900 /nfs/dbraw/zinc/14/89/00/569148900.db2.gz AWKQRTDEYKLINP-NEPJUHHUSA-N 0 0 437.338 3.609 50 0 IHAARN O=C(Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1 ZINC000009910182 569150471 /nfs/dbraw/zinc/15/04/71/569150471.db2.gz BJURQBGQRWNALJ-UHFFFAOYSA-N 0 0 439.493 3.569 50 0 IHAARN COc1ccc(C2(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)CCOCC2)cc1 ZINC000071287818 569150918 /nfs/dbraw/zinc/15/09/18/569150918.db2.gz GUDQHOBYZZFNFK-UHFFFAOYSA-N 0 0 429.944 3.907 50 0 IHAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000009954751 569151109 /nfs/dbraw/zinc/15/11/09/569151109.db2.gz XYSLQYPIGOUQPY-IBGZPJMESA-N 0 0 437.477 3.684 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000009955239 569151130 /nfs/dbraw/zinc/15/11/30/569151130.db2.gz ISLNJBXGQRLROK-QHCPKHFHSA-N 0 0 442.581 3.680 50 0 IHAARN Cc1cc(CSc2ncccc2C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1 ZINC000009996224 569151428 /nfs/dbraw/zinc/15/14/28/569151428.db2.gz WTPBQMUTDHSGIN-UHFFFAOYSA-N 0 0 449.536 3.791 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000010024134 569151433 /nfs/dbraw/zinc/15/14/33/569151433.db2.gz XKWNXZITYMZANI-SFHVURJKSA-N 0 0 443.503 3.888 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000009996266 569151442 /nfs/dbraw/zinc/15/14/42/569151442.db2.gz SLZNGMJIQFBZDZ-SANMLTNESA-N 0 0 441.487 3.617 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000010024245 569151537 /nfs/dbraw/zinc/15/15/37/569151537.db2.gz UPGWHBYQGCDLNS-NRFANRHFSA-N 0 0 449.532 3.743 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000010024942 569151541 /nfs/dbraw/zinc/15/15/41/569151541.db2.gz MAPDQYJWFDESCV-UHFFFAOYSA-N 0 0 445.972 3.731 50 0 IHAARN CC(=O)n1c2ccccc2nc1SCC(=O)NC1=NN=C(c2ccc(C)cc2)CS1 ZINC000010059414 569152196 /nfs/dbraw/zinc/15/21/96/569152196.db2.gz VYCJSECIMROAOJ-UHFFFAOYSA-N 0 0 437.550 3.720 50 0 IHAARN Cc1ccc(S(=O)(=O)CCCC(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 ZINC000010218210 569153499 /nfs/dbraw/zinc/15/34/99/569153499.db2.gz NECZOENGHDNEKY-UHFFFAOYSA-N 0 0 445.610 3.753 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2nccc(C)n2)cc1=O ZINC000010254973 569153918 /nfs/dbraw/zinc/15/39/18/569153918.db2.gz ATWXZMDXMJPXSW-UHFFFAOYSA-N 0 0 430.917 3.540 50 0 IHAARN COc1cn(CC(=O)Nc2cccc3ccccc32)c(CSc2nccn2C)cc1=O ZINC000010254700 569154174 /nfs/dbraw/zinc/15/41/74/569154174.db2.gz GMXOIRWKSIQBLD-UHFFFAOYSA-N 0 0 434.521 3.675 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2cc(C)on2)cc1 ZINC000010385711 569154403 /nfs/dbraw/zinc/15/44/03/569154403.db2.gz MMNMWMAKKKRASX-UHFFFAOYSA-N 0 0 432.436 3.640 50 0 IHAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000071824312 569154646 /nfs/dbraw/zinc/15/46/46/569154646.db2.gz KAKGVDSCROLGRD-QHCPKHFHSA-N 0 0 432.524 3.733 50 0 IHAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)CC1 ZINC000005106603 569155477 /nfs/dbraw/zinc/15/54/77/569155477.db2.gz ZQWVOJJUXRYICU-UHFFFAOYSA-N 0 0 429.586 3.931 50 0 IHAARN O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 ZINC000013697173 569156546 /nfs/dbraw/zinc/15/65/46/569156546.db2.gz JKTNCCNBAZVJRU-UHFFFAOYSA-N 0 0 427.913 3.880 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1F ZINC000013696634 569156709 /nfs/dbraw/zinc/15/67/09/569156709.db2.gz LECHAEGXBUXHKS-UHFFFAOYSA-N 0 0 430.457 3.821 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000014378767 569158796 /nfs/dbraw/zinc/15/87/96/569158796.db2.gz LZSOVWZFHIESLG-HNNXBMFYSA-N 0 0 430.526 3.713 50 0 IHAARN COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000014578139 569159321 /nfs/dbraw/zinc/15/93/21/569159321.db2.gz NFMMNUVKFVXAJG-UHFFFAOYSA-N 0 0 446.569 3.813 50 0 IHAARN O=C(OCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000014621275 569159609 /nfs/dbraw/zinc/15/96/09/569159609.db2.gz FKUXIAZBPHWLQT-UHFFFAOYSA-N 0 0 433.489 3.671 50 0 IHAARN Cc1cc(NC(=O)N[C@H](C)Cn2cncn2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000089594276 569159738 /nfs/dbraw/zinc/15/97/38/569159738.db2.gz IGLFXQCGKZJYET-LLVKDONJSA-N 0 0 427.818 3.655 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000089662327 569160955 /nfs/dbraw/zinc/16/09/55/569160955.db2.gz BLBCPFQBRMRXIS-UYAOXDASSA-N 0 0 426.517 3.535 50 0 IHAARN COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000016779381 569162026 /nfs/dbraw/zinc/16/20/26/569162026.db2.gz IDUSVFVESPWFGR-JOCHJYFZSA-N 0 0 425.485 3.837 50 0 IHAARN O=C(NC1CC1)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000089768363 569162483 /nfs/dbraw/zinc/16/24/83/569162483.db2.gz CYLBEYRTZJHOSA-AWEZNQCLSA-N 0 0 425.356 3.559 50 0 IHAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4)c3=O)n2)cc1 ZINC000016840009 569163101 /nfs/dbraw/zinc/16/31/01/569163101.db2.gz QTGMUPCIGSVPSN-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)ccn2n1 ZINC000016842011 569163353 /nfs/dbraw/zinc/16/33/53/569163353.db2.gz VGCYUIKSQHSALP-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)cc1 ZINC000016842210 569163459 /nfs/dbraw/zinc/16/34/59/569163459.db2.gz MIASQNNIMYQUMK-UHFFFAOYSA-N 0 0 433.537 3.781 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c1 ZINC000016845368 569163766 /nfs/dbraw/zinc/16/37/66/569163766.db2.gz LZPGIXCGJYGYDC-UHFFFAOYSA-N 0 0 426.494 3.801 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016846360 569163921 /nfs/dbraw/zinc/16/39/21/569163921.db2.gz YLMLPIANLHYHAO-UHFFFAOYSA-N 0 0 445.541 3.650 50 0 IHAARN Cc1ccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc2c1C ZINC000016847951 569164208 /nfs/dbraw/zinc/16/42/08/569164208.db2.gz GNPJWPRFAXFWJN-SFHVURJKSA-N 0 0 443.594 3.870 50 0 IHAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(C)cc1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850676 569164852 /nfs/dbraw/zinc/16/48/52/569164852.db2.gz CJRIZLWUPMXKHX-MRXNPFEDSA-N 0 0 427.526 3.676 50 0 IHAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000016942851 569166844 /nfs/dbraw/zinc/16/68/44/569166844.db2.gz XXMJBFIKGAXZSH-UHFFFAOYSA-N 0 0 444.463 3.533 50 0 IHAARN Cc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000016992278 569169525 /nfs/dbraw/zinc/16/95/25/569169525.db2.gz RENBNLRAQFAOLL-UHFFFAOYSA-N 0 0 438.372 3.797 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)s2)cc1 ZINC000016992151 569169707 /nfs/dbraw/zinc/16/97/07/569169707.db2.gz GFEBMNXGZFPEIT-UHFFFAOYSA-N 0 0 448.566 3.665 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)cc3)s2)cc1OC ZINC000017050942 569171812 /nfs/dbraw/zinc/17/18/12/569171812.db2.gz IRYGGRQPQXZBST-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN COc1cc(C(=O)N(c2ccc(C(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000017113635 569174120 /nfs/dbraw/zinc/17/41/20/569174120.db2.gz BEFVGZKHQIVMJP-IBGZPJMESA-N 0 0 445.537 3.793 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4cccc(Cl)c4)n3n2)c1 ZINC000017135556 569174364 /nfs/dbraw/zinc/17/43/64/569174364.db2.gz LDNKPHXLZKEJJO-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c1 ZINC000017135507 569174414 /nfs/dbraw/zinc/17/44/14/569174414.db2.gz CAZJUIWIIJSLJH-UHFFFAOYSA-N 0 0 448.591 3.999 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)N1CCc2ccccc21 ZINC000017189828 569175666 /nfs/dbraw/zinc/17/56/66/569175666.db2.gz DKFOXWRFXUZXHL-UHFFFAOYSA-N 0 0 435.574 3.621 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc12 ZINC000000935657 569176322 /nfs/dbraw/zinc/17/63/22/569176322.db2.gz BDAWXYPXXHNZFN-GFCCVEGCSA-N 0 0 426.494 3.547 50 0 IHAARN C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000017276217 569176966 /nfs/dbraw/zinc/17/69/66/569176966.db2.gz ZZBFLAIVIINXRD-CQSZACIVSA-N 0 0 446.532 3.593 50 0 IHAARN COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002088242 569178448 /nfs/dbraw/zinc/17/84/48/569178448.db2.gz XSTPUQWYWMEPSR-KGLIPLIRSA-N 0 0 447.255 3.682 50 0 IHAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002096181 569179125 /nfs/dbraw/zinc/17/91/25/569179125.db2.gz GOPRETXYMFPZDN-QRQCRPRQSA-N 0 0 443.521 3.708 50 0 biogenic IHAARN COc1ccc(-c2ccc(S(=O)(=O)NCCCc3cnc4cc(C)nn4c3)cc2)cc1 ZINC000207995892 569183800 /nfs/dbraw/zinc/18/38/00/569183800.db2.gz DSHRDOPDMWVGGL-UHFFFAOYSA-N 0 0 436.537 3.624 50 0 IHAARN CCOc1cc2c(cc1OCC)CN(CN1C(=O)NC3(C1=O)[C@H](C)CCC[C@H]3C)CC2 ZINC000252457418 569184335 /nfs/dbraw/zinc/18/43/35/569184335.db2.gz HEPBKGWTGLOXJF-IAGOWNOFSA-N 0 0 429.561 3.546 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252458385 569184400 /nfs/dbraw/zinc/18/44/00/569184400.db2.gz DYVFDWGLHXSYHP-GQUPQBGVSA-N 0 0 429.561 3.803 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252458423 569184458 /nfs/dbraw/zinc/18/44/58/569184458.db2.gz GRIWLCJIIVCHKX-XLIONFOSSA-N 0 0 435.524 3.749 50 0 IHAARN COc1ccc(CCn2cnc3c4cc(Br)ccc4[nH]c3c2=O)cc1OC ZINC000002133796 569185082 /nfs/dbraw/zinc/18/50/82/569185082.db2.gz PVLXVDVOSBKPPY-UHFFFAOYSA-N 0 0 428.286 3.900 50 0 biogenic IHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000252477711 569186004 /nfs/dbraw/zinc/18/60/04/569186004.db2.gz UKKOGDRAYJJVDK-JQHSSLGASA-N 0 0 426.479 3.624 50 0 IHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000252477712 569186035 /nfs/dbraw/zinc/18/60/35/569186035.db2.gz UKKOGDRAYJJVDK-SZMVWBNQSA-N 0 0 426.479 3.624 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@H]1CCSC1 ZINC000252477971 569186046 /nfs/dbraw/zinc/18/60/46/569186046.db2.gz YUOVSKVBIIHUEM-RDJZCZTQSA-N 0 0 435.640 3.941 50 0 IHAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002147972 569187069 /nfs/dbraw/zinc/18/70/69/569187069.db2.gz NVWCLVOUKONUCQ-SFHVURJKSA-N 0 0 443.521 3.689 50 0 biogenic IHAARN CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)CC1 ZINC000252508869 569188452 /nfs/dbraw/zinc/18/84/52/569188452.db2.gz XWHFAMPRUKSDRK-HRTMPFAESA-N 0 0 447.583 3.535 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc3cccnc31)C2=O ZINC000170647406 569189309 /nfs/dbraw/zinc/18/93/09/569189309.db2.gz XFASOVMXYUSYLI-KOSHJBKYSA-N 0 0 438.528 3.740 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cccnc3)C[C@H]2C)c(Br)c1 ZINC000252532982 569189712 /nfs/dbraw/zinc/18/97/12/569189712.db2.gz FPTPDBYTAUCIOX-SJORKVTESA-N 0 0 432.362 3.653 50 0 IHAARN COc1cccc2c1ccn2CCC(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000252536988 569190022 /nfs/dbraw/zinc/19/00/22/569190022.db2.gz KBLILLDKTZXCRK-HXUWFJFHSA-N 0 0 432.480 3.885 50 0 IHAARN CC(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000252572410 569191152 /nfs/dbraw/zinc/19/11/52/569191152.db2.gz ZFXYKRPAKCFLKF-VQTJNVASSA-N 0 0 447.539 3.957 50 0 IHAARN CC[C@@H](C(=O)NCC(C)C)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037422365 569195518 /nfs/dbraw/zinc/19/55/18/569195518.db2.gz PDTYMVMKUSBEEW-SFHVURJKSA-N 0 0 431.895 3.668 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Br)cc2)[C@@H](C)C1=O ZINC000037522354 569198263 /nfs/dbraw/zinc/19/82/63/569198263.db2.gz LMOJZCGLELQTAR-LBPRGKRZSA-N 0 0 437.721 3.989 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Br)cc2)[C@H](C)C1=O ZINC000037522353 569198321 /nfs/dbraw/zinc/19/83/21/569198321.db2.gz LMOJZCGLELQTAR-GFCCVEGCSA-N 0 0 437.721 3.989 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)C3CCCC3)CC2)cc1 ZINC000037525163 569198987 /nfs/dbraw/zinc/19/89/87/569198987.db2.gz LBCIXLMBWPNGHX-UHFFFAOYSA-N 0 0 449.595 3.943 50 0 IHAARN COCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1F ZINC000037546722 569200175 /nfs/dbraw/zinc/20/01/75/569200175.db2.gz OPECHCQKGWFSGI-UHFFFAOYSA-N 0 0 427.476 3.816 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000037557323 569200657 /nfs/dbraw/zinc/20/06/57/569200657.db2.gz FHJJRGNBLSAUCI-UHFFFAOYSA-N 0 0 444.531 3.944 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000195361848 569203320 /nfs/dbraw/zinc/20/33/20/569203320.db2.gz HSCXWVCBXQDGDC-ZRBLBEILSA-N 0 0 443.478 3.702 50 0 IHAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)OC)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002216833 569203794 /nfs/dbraw/zinc/20/37/94/569203794.db2.gz WSICIKJUZXWDCJ-OAQYLSRUSA-N 0 0 430.551 3.954 50 0 IHAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c32)CO1 ZINC000002235634 569212144 /nfs/dbraw/zinc/21/21/44/569212144.db2.gz PJXGDUTZYNMTDP-JOCHJYFZSA-N 0 0 442.610 3.966 50 0 IHAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1 ZINC000002260174 569215605 /nfs/dbraw/zinc/21/56/05/569215605.db2.gz FLGTVQYEUNUBMX-RGEXLXHISA-N 0 0 437.521 3.562 50 0 IHAARN O=C(Cn1c(=O)sc2cccc(Cl)c21)OCn1c(=O)sc2cccc(Cl)c21 ZINC000019799478 569256911 /nfs/dbraw/zinc/25/69/11/569256911.db2.gz BWDFGMCNBNSUQE-UHFFFAOYSA-N 0 0 441.317 3.947 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000020391420 569257405 /nfs/dbraw/zinc/25/74/05/569257405.db2.gz BVNRRQKOVUQHSQ-YNJKOYDBSA-N 0 0 438.524 3.731 50 0 biogenic IHAARN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000043773504 569257901 /nfs/dbraw/zinc/25/79/01/569257901.db2.gz IASNEQDWRXBECK-ZEKWSJBJSA-N 0 0 430.541 3.952 50 0 biogenic IHAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc(C)c2)cc(OC)c1OC ZINC000027527568 569263293 /nfs/dbraw/zinc/26/32/93/569263293.db2.gz QDKJCHMFEMYUIQ-UHFFFAOYSA-N 0 0 445.475 3.782 50 0 IHAARN COc1ccccc1N1C(=S)N=NC1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000027528258 569263603 /nfs/dbraw/zinc/26/36/03/569263603.db2.gz YGWNDYRFJDBOPJ-UHFFFAOYSA-N 0 0 439.324 3.567 50 0 IHAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCC3 ZINC000002289275 569264427 /nfs/dbraw/zinc/26/44/27/569264427.db2.gz VAPQHJWHEZGHBC-UHFFFAOYSA-N 0 0 440.550 3.547 50 0 IHAARN O=C(/C=C/c1ccc(Br)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000253395642 569264548 /nfs/dbraw/zinc/26/45/48/569264548.db2.gz CAXMCTGYWWWQOI-JXMROGBWSA-N 0 0 441.373 3.916 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 ZINC000253402622 569265027 /nfs/dbraw/zinc/26/50/27/569265027.db2.gz OMMPOWQIZOMDTO-KRWDZBQOSA-N 0 0 436.339 3.827 50 0 IHAARN CCc1cnc(CCNC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)s1 ZINC000253404966 569265221 /nfs/dbraw/zinc/26/52/21/569265221.db2.gz WONXTZOUWDEFBK-UHFFFAOYSA-N 0 0 442.610 3.567 50 0 IHAARN COC(=O)[C@H](CNC(=O)c1ccc(OC(C)C)cc1)Oc1ccc(Br)cc1 ZINC000253422957 569266965 /nfs/dbraw/zinc/26/69/65/569266965.db2.gz MBDZGLSNNKQGJD-SFHVURJKSA-N 0 0 436.302 3.587 50 0 IHAARN COC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002347374 569281036 /nfs/dbraw/zinc/28/10/36/569281036.db2.gz WGVRURCMVDPVDG-MRXNPFEDSA-N 0 0 436.217 3.772 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002355623 569285779 /nfs/dbraw/zinc/28/57/79/569285779.db2.gz VPAWLTJPTXDTBZ-PKOBYXMFSA-N 0 0 435.973 3.940 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@@H](C)COC)c3nc4ccccc4nc32)cc1 ZINC000002358792 569285998 /nfs/dbraw/zinc/28/59/98/569285998.db2.gz BELJFQVCIUCGAZ-AWEZNQCLSA-N 0 0 448.479 3.524 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000252506993 569287997 /nfs/dbraw/zinc/28/79/97/569287997.db2.gz WEXKBKYARZFHRP-ZRCAFCQKSA-N 0 0 433.512 3.876 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000002378109 569289525 /nfs/dbraw/zinc/28/95/25/569289525.db2.gz XHIUGZYYOUMTJI-HXUWFJFHSA-N 0 0 438.867 3.916 50 0 IHAARN COc1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 ZINC000002377402 569289593 /nfs/dbraw/zinc/28/95/93/569289593.db2.gz LZNHMRYAJBWNPK-UHFFFAOYSA-N 0 0 425.539 3.784 50 0 IHAARN O=C(NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000055116517 569289602 /nfs/dbraw/zinc/28/96/02/569289602.db2.gz XQIBBBCGMPKNAD-UHFFFAOYSA-N 0 0 436.343 3.965 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)n2C ZINC000009445284 569296334 /nfs/dbraw/zinc/29/63/34/569296334.db2.gz YOWYYJJHHPDWBY-PXFSWQRTSA-N 0 0 443.594 3.852 50 0 IHAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)NCc1ccco1 ZINC000009674262 569297746 /nfs/dbraw/zinc/29/77/46/569297746.db2.gz YTHVVTWEWHRBPX-FQEVSTJZSA-N 0 0 430.489 3.660 50 0 IHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 ZINC000002409789 569300503 /nfs/dbraw/zinc/30/05/03/569300503.db2.gz LUNIYWHVPBHLON-HNNXBMFYSA-N 0 0 427.498 3.795 50 0 IHAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc(OC)c1OC ZINC000002410805 569300819 /nfs/dbraw/zinc/30/08/19/569300819.db2.gz HAUFFYRIGRFVBY-OAHLLOKOSA-N 0 0 433.464 3.667 50 0 IHAARN CC(C)OCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002411065 569300872 /nfs/dbraw/zinc/30/08/72/569300872.db2.gz OQMHRJQJLSNQTB-UHFFFAOYSA-N 0 0 431.540 3.954 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(N)n(C[C@H]3CCCO3)c3nc4ccccc4nc32)cc1C ZINC000002431986 569303401 /nfs/dbraw/zinc/30/34/01/569303401.db2.gz OOXQHJKOKSAWQG-MRXNPFEDSA-N 0 0 436.537 3.795 50 0 IHAARN COC(=O)C1(NC(=O)c2cc(Br)c(Br)s2)CCCCC1 ZINC000013001714 569306132 /nfs/dbraw/zinc/30/61/32/569306132.db2.gz LGGRFYDYGGVEPU-UHFFFAOYSA-N 0 0 425.142 3.879 50 0 IHAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013002017 569306167 /nfs/dbraw/zinc/30/61/67/569306167.db2.gz XXGJRBFKSMUTSZ-UHFFFAOYSA-N 0 0 439.537 3.641 50 0 IHAARN Cc1cc(C)c(C)c2[nH]c(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc21 ZINC000013012870 569307023 /nfs/dbraw/zinc/30/70/23/569307023.db2.gz POVJWLNVDLRYPO-UHFFFAOYSA-N 0 0 425.554 3.676 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N ZINC000013038853 569307905 /nfs/dbraw/zinc/30/79/05/569307905.db2.gz NFXCYNOSHBPMAU-OKILXGFUSA-N 0 0 428.583 3.720 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000013041350 569308075 /nfs/dbraw/zinc/30/80/75/569308075.db2.gz GSOABEACXNIAQE-DNVCBOLYSA-N 0 0 434.533 3.621 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000013059681 569308553 /nfs/dbraw/zinc/30/85/53/569308553.db2.gz CGUCDEAHZUBGEI-UHFFFAOYSA-N 0 0 440.569 3.675 50 0 IHAARN CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 ZINC000013095669 569309476 /nfs/dbraw/zinc/30/94/76/569309476.db2.gz BBMGEQYSHQTCRE-ZDUSSCGKSA-N 0 0 433.484 3.794 50 0 IHAARN O=S(=O)(c1ccccc1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000013109260 569310246 /nfs/dbraw/zinc/31/02/46/569310246.db2.gz IHEPVWQVZNJMQM-UHFFFAOYSA-N 0 0 433.986 3.970 50 0 IHAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000013137586 569311484 /nfs/dbraw/zinc/31/14/84/569311484.db2.gz YNKXZVHEBRYJIE-UHFFFAOYSA-N 0 0 446.573 3.841 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013149428 569312275 /nfs/dbraw/zinc/31/22/75/569312275.db2.gz WXNSUZBDGGRERA-QGZVFWFLSA-N 0 0 435.524 3.966 50 0 IHAARN COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000013164963 569312525 /nfs/dbraw/zinc/31/25/25/569312525.db2.gz CKDLHFROIRVICL-JLCFBVMHSA-N 0 0 429.904 3.619 50 0 IHAARN Cc1ccccc1CC(=O)N1CSC[C@@H]1C(=O)NCc1csc(-c2cccs2)n1 ZINC000013354951 569313572 /nfs/dbraw/zinc/31/35/72/569313572.db2.gz XEAYPWDOHBVNNZ-QGZVFWFLSA-N 0 0 443.619 3.940 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002456869 569313634 /nfs/dbraw/zinc/31/36/34/569313634.db2.gz WHQABGONZMDYLC-CQSZACIVSA-N 0 0 444.488 3.691 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002456867 569313640 /nfs/dbraw/zinc/31/36/40/569313640.db2.gz WHQABGONZMDYLC-AWEZNQCLSA-N 0 0 444.488 3.691 50 0 IHAARN CCCn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccc(C)cc4)CC3)ccc21 ZINC000013368833 569314703 /nfs/dbraw/zinc/31/47/03/569314703.db2.gz AOPWGADVXMSWLQ-UHFFFAOYSA-N 0 0 440.569 3.898 50 0 IHAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccco1)NCCc1ccccc1 ZINC000013423987 569316100 /nfs/dbraw/zinc/31/61/00/569316100.db2.gz AWMYHQCAZRDGNU-OAQYLSRUSA-N 0 0 433.533 3.531 50 0 IHAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000019296596 569316738 /nfs/dbraw/zinc/31/67/38/569316738.db2.gz QOAOOWATWXKGCN-UHFFFAOYSA-N 0 0 441.814 3.576 50 0 IHAARN Cc1cc(S(=O)(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cn2)c(C)s1 ZINC000328594204 569317583 /nfs/dbraw/zinc/31/75/83/569317583.db2.gz YTPZWFDDIDPYNT-AWEZNQCLSA-N 0 0 431.377 3.897 50 0 IHAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000078771197 569318977 /nfs/dbraw/zinc/31/89/77/569318977.db2.gz WVLMGSZFHLJOPR-UHFFFAOYSA-N 0 0 445.541 3.974 50 0 IHAARN COc1ccc2c(c1)CN(C(=O)Nc1cccc(C[S@@](=O)C3CCOCC3)c1)CC2 ZINC000078814046 569319323 /nfs/dbraw/zinc/31/93/23/569319323.db2.gz JGHAFTOSOQNFRJ-PMERELPUSA-N 0 0 428.554 3.713 50 0 IHAARN CC(C)(O)CSCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000078823766 569319493 /nfs/dbraw/zinc/31/94/93/569319493.db2.gz LTBFPMYEDCHTFH-UHFFFAOYSA-N 0 0 429.405 3.735 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)s1 ZINC000078903192 569320226 /nfs/dbraw/zinc/32/02/26/569320226.db2.gz JYNPWQCUGCVUJE-KRWDZBQOSA-N 0 0 436.375 3.809 50 0 IHAARN c1cnn([C@H]2CCCC[C@@H]2Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000078967134 569320676 /nfs/dbraw/zinc/32/06/76/569320676.db2.gz ZKOFPAGHVHFMNR-ROUUACIJSA-N 0 0 438.601 3.805 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000079016092 569322094 /nfs/dbraw/zinc/32/20/94/569322094.db2.gz ZDJYBTNPQCUXNT-IBGZPJMESA-N 0 0 448.516 3.573 50 0 IHAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000079025202 569322845 /nfs/dbraw/zinc/32/28/45/569322845.db2.gz ZEAGDRDMXYQKRN-HNNXBMFYSA-N 0 0 433.487 3.756 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000079052252 569323540 /nfs/dbraw/zinc/32/35/40/569323540.db2.gz DQYVXOKSPWVSBM-HRAATJIYSA-N 0 0 444.578 3.939 50 0 IHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 ZINC000079074240 569324748 /nfs/dbraw/zinc/32/47/48/569324748.db2.gz ABTYPZBWCWVRPU-OXJNMPFZSA-N 0 0 427.917 3.671 50 0 IHAARN CC[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000079108524 569325989 /nfs/dbraw/zinc/32/59/89/569325989.db2.gz BYLONEAUOHPNPD-FTJBHMTQSA-N 0 0 446.595 3.958 50 0 IHAARN CN(Cc1nc(-c2ccc(Br)s2)no1)Cc1nc(-c2cccnc2)no1 ZINC000079109437 569326046 /nfs/dbraw/zinc/32/60/46/569326046.db2.gz ZFYDPFBFVIQEDB-UHFFFAOYSA-N 0 0 433.291 3.638 50 0 IHAARN CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(OC)cc1OC ZINC000079112461 569326374 /nfs/dbraw/zinc/32/63/74/569326374.db2.gz WUTAGKJWEZSZRZ-FQEVSTJZSA-N 0 0 445.541 3.553 50 0 IHAARN COC(=O)c1ccc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)cc1 ZINC000079189708 569327973 /nfs/dbraw/zinc/32/79/73/569327973.db2.gz UHFZHLOXLYOFEV-UGKGYDQZSA-N 0 0 446.411 3.906 50 0 biogenic IHAARN COc1cc2c3cnn(CN4CCC(Cc5ccccc5)CC4)c(=O)c3n(C)c2cc1OC ZINC000079489603 569331230 /nfs/dbraw/zinc/33/12/30/569331230.db2.gz ASTODWZRVDPZBQ-UHFFFAOYSA-N 0 0 446.551 3.818 50 0 IHAARN COc1cc2c3cnn(Cc4ccc(OC(F)(F)F)cc4)c(=O)c3n(C)c2cc1OC ZINC000079492488 569331408 /nfs/dbraw/zinc/33/14/08/569331408.db2.gz ZIKXYLPPHNGWDD-UHFFFAOYSA-N 0 0 433.386 3.852 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N(CN1c3ccc(Br)cc3C(=O)C1=O)CC2 ZINC000020111788 569334524 /nfs/dbraw/zinc/33/45/24/569334524.db2.gz VLOYVFSAKSQBMK-LBPRGKRZSA-N 0 0 445.313 3.572 50 0 biogenic IHAARN CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020137222 569335888 /nfs/dbraw/zinc/33/58/88/569335888.db2.gz LKSSWJUIFXMMLR-UHFFFAOYSA-N 0 0 431.377 3.941 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Br)s1)NCCc1ccccc1Cl ZINC000020137295 569335905 /nfs/dbraw/zinc/33/59/05/569335905.db2.gz XGBWLBMBBLAKRE-UHFFFAOYSA-N 0 0 436.780 3.687 50 0 IHAARN COc1ccc(CCNC(=O)[C@@]2(C)CCC(=O)N2Cc2ccccc2Cl)cc1OC ZINC000020152369 569336631 /nfs/dbraw/zinc/33/66/31/569336631.db2.gz MDECYUDCGALFCR-HSZRJFAPSA-N 0 0 430.932 3.597 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390829071 569354036 /nfs/dbraw/zinc/35/40/36/569354036.db2.gz CPLBKONWFWPAGE-UHFFFAOYSA-N 0 0 435.443 3.683 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000094992576 569355732 /nfs/dbraw/zinc/35/57/32/569355732.db2.gz PNCNZEOXOXKRAL-UHFFFAOYSA-N 0 0 429.561 3.576 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000094993031 569355750 /nfs/dbraw/zinc/35/57/50/569355750.db2.gz KCBLHRMXRNXSOK-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)Nc4cccc(NC(C)=O)c4)ccc3c2=O)cc1 ZINC000094993035 569355793 /nfs/dbraw/zinc/35/57/93/569355793.db2.gz WGIGFKUVPLVZSO-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(CC)cccc3CC)ccc21 ZINC000020209475 569356033 /nfs/dbraw/zinc/35/60/33/569356033.db2.gz ZCJIFUJURDVISD-UHFFFAOYSA-N 0 0 442.581 3.913 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NC[C@H](C)c1ccccc1 ZINC000020241818 569358036 /nfs/dbraw/zinc/35/80/36/569358036.db2.gz MVWXRDFOPPTOEA-KRWDZBQOSA-N 0 0 426.538 3.793 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000020241791 569358062 /nfs/dbraw/zinc/35/80/62/569358062.db2.gz ODFVPFJXGQXMJT-UHFFFAOYSA-N 0 0 446.956 3.886 50 0 IHAARN CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243307 569358291 /nfs/dbraw/zinc/35/82/91/569358291.db2.gz GTGYYXCNKALFBM-UHFFFAOYSA-N 0 0 434.517 3.818 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)C1 ZINC000020279831 569358607 /nfs/dbraw/zinc/35/86/07/569358607.db2.gz ZSGDECOJNDAUSD-GOSISDBHSA-N 0 0 438.528 3.810 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 ZINC000020326000 569360322 /nfs/dbraw/zinc/36/03/22/569360322.db2.gz PLZCZTLKVFYUBX-FQEVSTJZSA-N 0 0 445.566 3.749 50 0 IHAARN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095351583 569362031 /nfs/dbraw/zinc/36/20/31/569362031.db2.gz HAWGVTQFQXRSQX-IBGZPJMESA-N 0 0 441.881 3.649 50 0 IHAARN O=C(NCc1ccc(F)cc1)C1(NS(=O)(=O)c2cccc3cccnc32)CCCCC1 ZINC000020377565 569362287 /nfs/dbraw/zinc/36/22/87/569362287.db2.gz ILIJMGJJHIOJAQ-UHFFFAOYSA-N 0 0 441.528 3.672 50 0 IHAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])CC1 ZINC000020415592 569364446 /nfs/dbraw/zinc/36/44/46/569364446.db2.gz LHHGBSGXSSLHMO-UHFFFAOYSA-N 0 0 427.545 3.870 50 0 IHAARN COc1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c1 ZINC000020417435 569364909 /nfs/dbraw/zinc/36/49/09/569364909.db2.gz YVVKTGGBRXFLEW-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN COCc1nc2sc(C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)c(C)c2c(OC)n1 ZINC000095414321 569365335 /nfs/dbraw/zinc/36/53/35/569365335.db2.gz KHXCWYMFRPISJQ-CYBMUJFWSA-N 0 0 437.562 3.641 50 0 IHAARN CC1(C)OC[C@H](CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)O1 ZINC000095427470 569366052 /nfs/dbraw/zinc/36/60/52/569366052.db2.gz WOXUVWDILIRAMJ-AWEZNQCLSA-N 0 0 446.598 3.815 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2OCCc3ccccc32)c1 ZINC000095432518 569366450 /nfs/dbraw/zinc/36/64/50/569366450.db2.gz PDAKVYHVKOOAJL-QFIPXVFZSA-N 0 0 446.569 3.757 50 0 IHAARN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000095444150 569366964 /nfs/dbraw/zinc/36/69/64/569366964.db2.gz NTBBGLGCDGRURN-HXUWFJFHSA-N 0 0 440.503 3.911 50 0 IHAARN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000095444149 569367005 /nfs/dbraw/zinc/36/70/05/569367005.db2.gz NTBBGLGCDGRURN-FQEVSTJZSA-N 0 0 440.503 3.911 50 0 IHAARN O=C(CCS(=O)(=O)C1CCCC1)NC1(c2nc(-c3cccs3)no2)CCCCC1 ZINC000095450509 569367746 /nfs/dbraw/zinc/36/77/46/569367746.db2.gz WTVALHOIRXVPMV-UHFFFAOYSA-N 0 0 437.587 3.821 50 0 IHAARN COC(=O)c1cccc(CCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000095454273 569368403 /nfs/dbraw/zinc/36/84/03/569368403.db2.gz ZEBJBDWFBTYSFM-QFIPXVFZSA-N 0 0 444.531 3.838 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cccc(C(=O)OC(C)(C)C)c3)CC2)cc1F ZINC000095455459 569368510 /nfs/dbraw/zinc/36/85/10/569368510.db2.gz IHPRZAUJGCYOOE-UHFFFAOYSA-N 0 0 428.504 3.748 50 0 IHAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)c1 ZINC000095457979 569369059 /nfs/dbraw/zinc/36/90/59/569369059.db2.gz SFDOVMSGUQQGEW-MJGOQNOKSA-N 0 0 426.561 3.879 50 0 IHAARN O=C(CN1CCN2CCOc3cccc1c32)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000095458275 569369158 /nfs/dbraw/zinc/36/91/58/569369158.db2.gz AAERMEDTOMLHAI-SFHVURJKSA-N 0 0 434.521 3.738 50 0 IHAARN CC(C)C[C@@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000095469277 569371586 /nfs/dbraw/zinc/37/15/86/569371586.db2.gz RAXWVYSAZPSWQW-GOSISDBHSA-N 0 0 438.536 4.000 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(C3CCCCC3)s1)C=C2 ZINC000095472542 569372164 /nfs/dbraw/zinc/37/21/64/569372164.db2.gz NTRZDFKJCZDXLQ-UHFFFAOYSA-N 0 0 442.541 3.597 50 0 IHAARN COc1cccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482339 569374345 /nfs/dbraw/zinc/37/43/45/569374345.db2.gz OMLTZMIFPLVENE-GFCCVEGCSA-N 0 0 432.274 3.591 50 0 IHAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000020645397 569374828 /nfs/dbraw/zinc/37/48/28/569374828.db2.gz ZACMSGACJYFROR-TXPKVOOTSA-N 0 0 430.618 3.582 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)NC[C@@H](O)Cc3ccc(F)cc3F)s2)cc1OC ZINC000095940348 569375384 /nfs/dbraw/zinc/37/53/84/569375384.db2.gz FQDWRCSMAARDKS-INIZCTEOSA-N 0 0 448.491 3.747 50 0 IHAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNCc2nnc3ccccn32)c1 ZINC000095956351 569376803 /nfs/dbraw/zinc/37/68/03/569376803.db2.gz XKVMCLWIEKRCAJ-UHFFFAOYSA-N 0 0 440.507 3.889 50 0 IHAARN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000095960028 569377058 /nfs/dbraw/zinc/37/70/58/569377058.db2.gz QUVFZTZBGCGJEI-UHFFFAOYSA-N 0 0 431.584 3.818 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@H](C)O1 ZINC000095986358 569378098 /nfs/dbraw/zinc/37/80/98/569378098.db2.gz XOYSQKOOTCOMOP-RYUDHWBXSA-N 0 0 444.887 3.668 50 0 IHAARN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCCS(=O)(=O)N2CCCC2)C(C)(C)O1 ZINC000095991721 569378357 /nfs/dbraw/zinc/37/83/57/569378357.db2.gz AAPAAADYLFKHCI-FQEVSTJZSA-N 0 0 436.618 3.567 50 0 IHAARN CCOc1ccccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000095993584 569378450 /nfs/dbraw/zinc/37/84/50/569378450.db2.gz GTFPMUOUHADAET-WMLDXEAASA-N 0 0 446.466 3.911 50 0 IHAARN O=C(COc1ccc(Cl)cc1C(F)(F)F)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000095997450 569378944 /nfs/dbraw/zinc/37/89/44/569378944.db2.gz RZDSJLKLWQVEIG-CQSZACIVSA-N 0 0 439.883 3.696 50 0 IHAARN Cc1ccc(C)c(OCCCCC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000096008719 569379615 /nfs/dbraw/zinc/37/96/15/569379615.db2.gz XFMAVSGPSSESAK-NRFANRHFSA-N 0 0 435.524 3.532 50 0 IHAARN COc1ccc(Br)c(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1 ZINC000096103756 569382110 /nfs/dbraw/zinc/38/21/10/569382110.db2.gz RGYJCBREFMYYSV-UHFFFAOYSA-N 0 0 432.240 3.980 50 0 IHAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104290 569382129 /nfs/dbraw/zinc/38/21/29/569382129.db2.gz RJKBPPOIAAKEPW-UHFFFAOYSA-N 0 0 436.464 3.932 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1F ZINC000096105359 569382308 /nfs/dbraw/zinc/38/23/08/569382308.db2.gz ZALQLGJXWFMCJH-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)C2=O)cc1 ZINC000096105538 569382444 /nfs/dbraw/zinc/38/24/44/569382444.db2.gz QYAXUZPZPGVOOX-UHFFFAOYSA-N 0 0 429.879 3.514 50 0 IHAARN Cn1cc(CCCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 ZINC000096114871 569383072 /nfs/dbraw/zinc/38/30/72/569383072.db2.gz HOVMURBJIXDEEC-QFIPXVFZSA-N 0 0 430.508 3.696 50 0 biogenic IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121512 569385067 /nfs/dbraw/zinc/38/50/67/569385067.db2.gz PKBQBDSCAHEGCG-UHFFFAOYSA-N 0 0 444.514 3.794 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)C(C)C)cc1 ZINC000096211347 569386532 /nfs/dbraw/zinc/38/65/32/569386532.db2.gz NHXMGUHUTQPSPV-BXKMTCNYSA-N 0 0 426.557 3.973 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000096211200 569386560 /nfs/dbraw/zinc/38/65/60/569386560.db2.gz DUCOYTMBCBQSRC-RPWUZVMVSA-N 0 0 446.613 3.934 50 0 IHAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2ccccc2C)CC1 ZINC000096291102 569391114 /nfs/dbraw/zinc/39/11/14/569391114.db2.gz BQMUMRJYEQMQLU-UHFFFAOYSA-N 0 0 435.597 3.954 50 0 IHAARN NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)ccc1F ZINC000096305459 569392162 /nfs/dbraw/zinc/39/21/62/569392162.db2.gz VJJBPHHMISNENU-SEYXRHQNSA-N 0 0 439.468 3.590 50 0 IHAARN CCC(=O)N1CCN(c2nc(C)nc(COC)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000096317653 569393649 /nfs/dbraw/zinc/39/36/49/569393649.db2.gz LTHRAHLUMHAPDC-UHFFFAOYSA-N 0 0 436.478 3.600 50 0 IHAARN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc1c2CN(CCN2CCOCC2)CO1 ZINC000096318586 569393876 /nfs/dbraw/zinc/39/38/76/569393876.db2.gz AJNPUJSNKIHRJJ-UHFFFAOYSA-N 0 0 426.900 3.598 50 0 IHAARN Cc1ccccc1CNC(=O)CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000096322436 569394568 /nfs/dbraw/zinc/39/45/68/569394568.db2.gz QLQWSEXICAZTIG-UHFFFAOYSA-N 0 0 428.471 3.741 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cc(C)cc(C)c5)c(=O)n4ccn3n2)c1 ZINC000096322563 569394715 /nfs/dbraw/zinc/39/47/15/569394715.db2.gz FQFNAYPGSDROGQ-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000096323676 569395337 /nfs/dbraw/zinc/39/53/37/569395337.db2.gz BVUFSMGATNZDRA-UHFFFAOYSA-N 0 0 434.427 3.902 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324552 569395927 /nfs/dbraw/zinc/39/59/27/569395927.db2.gz FKPCBWJNMPKCDB-UHFFFAOYSA-N 0 0 443.429 3.981 50 0 IHAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1ccc(C)cc1)C3 ZINC000096326888 569396169 /nfs/dbraw/zinc/39/61/69/569396169.db2.gz MCOJQSOMEOHGLH-UHFFFAOYSA-N 0 0 425.916 3.585 50 0 IHAARN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(C)cc2Br)n1 ZINC000096379751 569398140 /nfs/dbraw/zinc/39/81/40/569398140.db2.gz DYDNPTBOQAKUAQ-UHFFFAOYSA-N 0 0 425.308 3.862 50 0 IHAARN CC[C@H](NC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)c1ccc(OC)cc1 ZINC000096385812 569398290 /nfs/dbraw/zinc/39/82/90/569398290.db2.gz OGEVHGYCYIRSKJ-FQEVSTJZSA-N 0 0 434.471 3.602 50 0 IHAARN CCCn1cc(C2=CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2cccnc21 ZINC000096386500 569398622 /nfs/dbraw/zinc/39/86/22/569398622.db2.gz JNNCBUBQPRORHF-UHFFFAOYSA-N 0 0 441.553 3.942 50 0 IHAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)no1 ZINC000096564613 569401317 /nfs/dbraw/zinc/40/13/17/569401317.db2.gz BXIGZFGRYWMRKI-UHFFFAOYSA-N 0 0 441.509 3.815 50 0 IHAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(OC)cc5OC)no4)c3CO2)cc1 ZINC000097077072 569403009 /nfs/dbraw/zinc/40/30/09/569403009.db2.gz UQXOOFXGVBGBQM-FQEVSTJZSA-N 0 0 434.452 3.897 50 0 IHAARN O=C(NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000002474706 569404441 /nfs/dbraw/zinc/40/44/41/569404441.db2.gz HWDOYMMZNYAHKL-CXAGYDPISA-N 0 0 434.374 3.795 50 0 IHAARN COC(=O)COc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 ZINC000002486246 569405101 /nfs/dbraw/zinc/40/51/01/569405101.db2.gz SJWXPNZVTDFPTC-HSZRJFAPSA-N 0 0 438.505 3.554 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498765 569405658 /nfs/dbraw/zinc/40/56/58/569405658.db2.gz TWIMUFAFHLVCAG-GXTWGEPZSA-N 0 0 449.436 3.606 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002494191 569405736 /nfs/dbraw/zinc/40/57/36/569405736.db2.gz OLNVOZARNKKTMW-UHFFFAOYSA-N 0 0 440.934 3.734 50 0 IHAARN Cc1nc(N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc(C(F)(F)F)n1 ZINC000225726607 569407556 /nfs/dbraw/zinc/40/75/56/569407556.db2.gz SPFGVYUYXGWIGZ-UHFFFAOYSA-N 0 0 433.228 3.558 50 0 IHAARN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(Cn2ccnc2)cc1 ZINC000225755216 569408194 /nfs/dbraw/zinc/40/81/94/569408194.db2.gz UNCFKDDMGCHDHP-UHFFFAOYSA-N 0 0 432.553 3.782 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)c(C)c1Br ZINC000028224959 569409222 /nfs/dbraw/zinc/40/92/22/569409222.db2.gz ZKXRRVFOZOIZQU-UHFFFAOYSA-N 0 0 432.274 3.562 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccccc2F)cc1 ZINC000002619311 569410716 /nfs/dbraw/zinc/41/07/16/569410716.db2.gz MGTKCZPFAYVBFG-KRWDZBQOSA-N 0 0 426.517 3.769 50 0 IHAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1Cl ZINC000002624395 569411454 /nfs/dbraw/zinc/41/14/54/569411454.db2.gz OKSIRINECSGSGO-MRXNPFEDSA-N 0 0 445.306 3.885 50 0 IHAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000215700991 569412559 /nfs/dbraw/zinc/41/25/59/569412559.db2.gz YQCCVIAIUKGICA-VLLHKADLSA-N 0 0 433.508 3.583 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)n3N)n(-c3ccccc3)n2)cc1 ZINC000002640139 569413506 /nfs/dbraw/zinc/41/35/06/569413506.db2.gz KRNBYBHXNGTCQS-UHFFFAOYSA-N 0 0 445.552 3.761 50 0 IHAARN COc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2F)cc(OC)c1 ZINC000002645038 569414128 /nfs/dbraw/zinc/41/41/28/569414128.db2.gz HFGPQRBTUWEJHH-UHFFFAOYSA-N 0 0 438.521 3.518 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2 ZINC000002653058 569415093 /nfs/dbraw/zinc/41/50/93/569415093.db2.gz OPPYQENVHDMPHK-UHFFFAOYSA-N 0 0 446.956 3.983 50 0 IHAARN O=c1cc(COc2ncnc3sc4c(c32)CCCC4)nc2ccc(Br)cn12 ZINC000002657040 569415497 /nfs/dbraw/zinc/41/54/97/569415497.db2.gz QHYLSJUFANOJMA-UHFFFAOYSA-N 0 0 443.326 3.920 50 0 IHAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(I)cc1 ZINC000002657060 569415534 /nfs/dbraw/zinc/41/55/34/569415534.db2.gz WMXPPXIZIIYECV-JTQLQIEISA-N 0 0 428.657 3.702 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc(OC)c1OC ZINC000002661241 569416190 /nfs/dbraw/zinc/41/61/90/569416190.db2.gz JPMHBSYUMBKEOW-UHFFFAOYSA-N 0 0 445.497 3.885 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)n1Cc1ccco1 ZINC000002664760 569416503 /nfs/dbraw/zinc/41/65/03/569416503.db2.gz YKHPCJXAKPXPQQ-NRFANRHFSA-N 0 0 426.469 3.520 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@H]1c1ccccc1)C2=O ZINC000230017946 569417454 /nfs/dbraw/zinc/41/74/54/569417454.db2.gz NZYCISGFBVWNRH-AUBMYDRESA-N 0 0 433.508 3.654 50 0 IHAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002708602 569417562 /nfs/dbraw/zinc/41/75/62/569417562.db2.gz FAKGIBNWUMBTPK-QZTJIDSGSA-N 0 0 449.989 3.698 50 0 IHAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 ZINC000002746691 569420192 /nfs/dbraw/zinc/42/01/92/569420192.db2.gz STYJXIJSLYDVDF-JOCHJYFZSA-N 0 0 431.448 3.726 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(CC)c2C)c(Cl)cc1Cl ZINC000002794376 569422083 /nfs/dbraw/zinc/42/20/83/569422083.db2.gz IBYBXCDGBITIIJ-UHFFFAOYSA-N 0 0 433.361 3.801 50 0 IHAARN Cn1ncc2c3nc(-c4ccc(COc5ccccc5Br)o4)nn3cnc21 ZINC000002800480 569422436 /nfs/dbraw/zinc/42/24/36/569422436.db2.gz CNGROHJMKSWXOX-UHFFFAOYSA-N 0 0 425.246 3.613 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CNc3ccc(Br)cc3)CC2)c(F)c1 ZINC000029006373 569424333 /nfs/dbraw/zinc/42/43/33/569424333.db2.gz SBZYDGXKQBBLSQ-UHFFFAOYSA-N 0 0 434.309 3.552 50 0 IHAARN CCOc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3c2=O)cc1 ZINC000002942828 569426755 /nfs/dbraw/zinc/42/67/55/569426755.db2.gz SMUZELCAEISQPX-UHFFFAOYSA-N 0 0 443.459 3.808 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000056907912 569427546 /nfs/dbraw/zinc/42/75/46/569427546.db2.gz KCQPLBNYNVWKJS-UHFFFAOYSA-N 0 0 428.492 3.558 50 0 IHAARN O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000029156769 569427687 /nfs/dbraw/zinc/42/76/87/569427687.db2.gz XPQYCEDEBGCEBN-UHFFFAOYSA-N 0 0 433.382 3.698 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000057058596 569429370 /nfs/dbraw/zinc/42/93/70/569429370.db2.gz GKAJONKWQXICNC-SFHVURJKSA-N 0 0 434.540 3.721 50 0 IHAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000029591803 569431434 /nfs/dbraw/zinc/43/14/34/569431434.db2.gz NHDPADXWYMXWPZ-LLVKDONJSA-N 0 0 426.325 3.624 50 0 IHAARN CCn1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c(=O)c2cc(F)ccc21 ZINC000057354802 569431495 /nfs/dbraw/zinc/43/14/95/569431495.db2.gz VIBLYESTEYMZMK-UHFFFAOYSA-N 0 0 425.416 3.903 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000029708174 569431917 /nfs/dbraw/zinc/43/19/17/569431917.db2.gz KFLXSDQQLKMHJY-UHFFFAOYSA-N 0 0 448.914 3.674 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000057371894 569432678 /nfs/dbraw/zinc/43/26/78/569432678.db2.gz GCPDFACQZYCNMR-NRFANRHFSA-N 0 0 429.520 3.852 50 0 IHAARN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414934 569433886 /nfs/dbraw/zinc/43/38/86/569433886.db2.gz QZAIICYIOBQZSV-QFIPXVFZSA-N 0 0 437.927 3.910 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000057416610 569434307 /nfs/dbraw/zinc/43/43/07/569434307.db2.gz DFEKXWBMHSKZBL-MRXNPFEDSA-N 0 0 445.922 3.580 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1Cl ZINC000057425875 569434465 /nfs/dbraw/zinc/43/44/65/569434465.db2.gz FVKZLAHHBRDWEN-UHFFFAOYSA-N 0 0 427.910 3.628 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C ZINC000057426223 569434537 /nfs/dbraw/zinc/43/45/37/569434537.db2.gz DWWVVZWYEDCVOE-UHFFFAOYSA-N 0 0 431.539 3.631 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)c(C)c1 ZINC000057426747 569434668 /nfs/dbraw/zinc/43/46/68/569434668.db2.gz WKOVSXMAYGWNIY-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O)c1ccccc1 ZINC000057426936 569434743 /nfs/dbraw/zinc/43/47/43/569434743.db2.gz AEMMEZGUURBSKX-UHFFFAOYSA-N 0 0 447.560 3.943 50 0 IHAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O ZINC000057427320 569434789 /nfs/dbraw/zinc/43/47/89/569434789.db2.gz MZRMONAJEJPRGI-UHFFFAOYSA-N 0 0 426.325 3.970 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000057428342 569434874 /nfs/dbraw/zinc/43/48/74/569434874.db2.gz FFZUNZFKQAXOTJ-UHFFFAOYSA-N 0 0 442.306 3.514 50 0 IHAARN CC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1S(=O)(=O)c1ccc(C)cc1 ZINC000003007814 569435211 /nfs/dbraw/zinc/43/52/11/569435211.db2.gz DZVYLVMVXNOWDW-UHFFFAOYSA-N 0 0 436.533 3.759 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)sc2=S)cc1 ZINC000003018657 569435495 /nfs/dbraw/zinc/43/54/95/569435495.db2.gz WANJVQSAKXQVQT-UHFFFAOYSA-N 0 0 427.551 4.000 50 0 IHAARN CN(C(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000057472920 569435661 /nfs/dbraw/zinc/43/56/61/569435661.db2.gz IMBYSTRRFNUREF-UHFFFAOYSA-N 0 0 433.895 3.528 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)c1 ZINC000057473270 569435670 /nfs/dbraw/zinc/43/56/70/569435670.db2.gz VRULISBQFRMLEQ-UHFFFAOYSA-N 0 0 433.533 3.669 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)Nc1ccc(F)cc1 ZINC000057486416 569436466 /nfs/dbraw/zinc/43/64/66/569436466.db2.gz WUVANDWUEHZGCD-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000057487291 569436706 /nfs/dbraw/zinc/43/67/06/569436706.db2.gz AWWPMFUYNOPXQA-UHFFFAOYSA-N 0 0 442.903 3.660 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1Cl ZINC000057489520 569437050 /nfs/dbraw/zinc/43/70/50/569437050.db2.gz UDKSOXGDCYQVGQ-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)Nc1ccccc1Cl ZINC000057490328 569437168 /nfs/dbraw/zinc/43/71/68/569437168.db2.gz WKDPPYMKSIIPSI-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000057492295 569437417 /nfs/dbraw/zinc/43/74/17/569437417.db2.gz FXEVKIFSTIIDDV-UHFFFAOYSA-N 0 0 447.516 3.672 50 0 IHAARN Cc1cc(F)ccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491986 569437427 /nfs/dbraw/zinc/43/74/27/569437427.db2.gz GCEQAUVNKYUXSV-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1ccc2c(c1)OCCO2 ZINC000003037048 569437983 /nfs/dbraw/zinc/43/79/83/569437983.db2.gz VPSHQBREGUQEPM-LLVKDONJSA-N 0 0 429.270 3.553 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)cc1 ZINC000057494152 569437681 /nfs/dbraw/zinc/43/76/81/569437681.db2.gz GAGXWFQYLFSLLA-UHFFFAOYSA-N 0 0 441.459 3.693 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000003044416 569438558 /nfs/dbraw/zinc/43/85/58/569438558.db2.gz ZLMOSZOCAOSWTC-UHFFFAOYSA-N 0 0 429.476 3.739 50 0 IHAARN CCCc1nnc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n12 ZINC000057522652 569438986 /nfs/dbraw/zinc/43/89/86/569438986.db2.gz DYTWMSLIEJOUKZ-UHFFFAOYSA-N 0 0 430.295 3.942 50 0 IHAARN CC(C)c1nnc2c(=O)n(CC(=O)Nc3cccc(Br)c3)c3ccccc3n21 ZINC000057522598 569439009 /nfs/dbraw/zinc/43/90/09/569439009.db2.gz LIQSOEZXMXWJHO-UHFFFAOYSA-N 0 0 440.301 3.569 50 0 IHAARN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000230132216 569439132 /nfs/dbraw/zinc/43/91/32/569439132.db2.gz RNPNQAMQFIAFCP-WTOYTKOKSA-N 0 0 445.523 3.688 50 0 IHAARN Cc1cccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000003051454 569439313 /nfs/dbraw/zinc/43/93/13/569439313.db2.gz ZGRKSMKMXMJRIY-UHFFFAOYSA-N 0 0 426.513 3.585 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3cccc(Cl)c3)o2)cc1 ZINC000003056936 569439386 /nfs/dbraw/zinc/43/93/86/569439386.db2.gz DEFWVGNCYACKFI-UHFFFAOYSA-N 0 0 433.913 3.987 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000003059351 569439411 /nfs/dbraw/zinc/43/94/11/569439411.db2.gz KRDXDYSMFVTRFN-AWEZNQCLSA-N 0 0 449.985 3.547 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)CCCc3nc(-c4ccccc4)no3)cc(=O)oc2c1 ZINC000057703990 569440960 /nfs/dbraw/zinc/44/09/60/569440960.db2.gz YYEZHRVXSWHTRN-UHFFFAOYSA-N 0 0 447.447 3.868 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)Cc3c(C)nn(CC(C)C)c3C)cc(=O)oc2c1 ZINC000057704268 569440972 /nfs/dbraw/zinc/44/09/72/569440972.db2.gz NWAJQCGZHNPVDQ-UHFFFAOYSA-N 0 0 425.485 3.507 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2Cl)C1 ZINC000030266016 569441348 /nfs/dbraw/zinc/44/13/48/569441348.db2.gz KSCNGRCDSWJTJF-CVEARBPZSA-N 0 0 435.977 3.779 50 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C[C@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc2c(c1)OCCCO2 ZINC000032283962 569461019 /nfs/dbraw/zinc/46/10/19/569461019.db2.gz NOXKCSHIUXBAAV-ZDUSSCGKSA-N 0 0 432.402 3.938 50 0 IHAARN O=C(COc1cccc(Cl)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032371183 569461460 /nfs/dbraw/zinc/46/14/60/569461460.db2.gz AOSHFKOMWXYLHR-UHFFFAOYSA-N 0 0 447.322 3.767 50 0 IHAARN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)cc1 ZINC000032456718 569461784 /nfs/dbraw/zinc/46/17/84/569461784.db2.gz HKNYFMBVQXBIGC-SFTDATJTSA-N 0 0 425.529 3.602 50 0 IHAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5F)n4ccn3n2)cc1 ZINC000038487015 569462864 /nfs/dbraw/zinc/46/28/64/569462864.db2.gz UIWXDPBZDYTZKZ-UHFFFAOYSA-N 0 0 448.483 3.923 50 0 IHAARN CCCc1nnsc1C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 ZINC000038563571 569464049 /nfs/dbraw/zinc/46/40/49/569464049.db2.gz NVMLBYLNKJCMCF-QGZVFWFLSA-N 0 0 435.596 3.806 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1F ZINC000067205864 569464554 /nfs/dbraw/zinc/46/45/54/569464554.db2.gz YEQPPEWGVGKLEN-UHFFFAOYSA-N 0 0 425.416 3.633 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1 ZINC000067218303 569464955 /nfs/dbraw/zinc/46/49/55/569464955.db2.gz AQWDHOJUNAVLSE-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)c3s2)C1 ZINC000067226197 569465291 /nfs/dbraw/zinc/46/52/91/569465291.db2.gz JPZVRPJCEBCSNF-LLVKDONJSA-N 0 0 435.912 3.521 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236371 569465456 /nfs/dbraw/zinc/46/54/56/569465456.db2.gz WEMMPWYXHSKCEJ-UHFFFAOYSA-N 0 0 426.473 3.853 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 ZINC000067237904 569465512 /nfs/dbraw/zinc/46/55/12/569465512.db2.gz PXTKYNAADWVAGF-HNNXBMFYSA-N 0 0 428.558 3.667 50 0 IHAARN Cc1cc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237763 569465520 /nfs/dbraw/zinc/46/55/20/569465520.db2.gz LEUIIXXURZIJKA-MRXNPFEDSA-N 0 0 426.586 3.919 50 0 IHAARN Cc1cc2nc(SCC(=O)N3CCOc4ccc(C)cc43)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238141 569465574 /nfs/dbraw/zinc/46/55/74/569465574.db2.gz KSOLAPRFLQJDHD-UHFFFAOYSA-N 0 0 440.569 3.905 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000067239179 569465633 /nfs/dbraw/zinc/46/56/33/569465633.db2.gz LGAFTNQROQLFHN-ZDUSSCGKSA-N 0 0 427.530 3.693 50 0 IHAARN CN(c1ccsc1C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245537 569465909 /nfs/dbraw/zinc/46/59/09/569465909.db2.gz WALMAUBATUAYHY-UHFFFAOYSA-N 0 0 449.941 3.578 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 ZINC000067255675 569466042 /nfs/dbraw/zinc/46/60/42/569466042.db2.gz NWHAFCZMAYZPKS-UHFFFAOYSA-N 0 0 433.537 3.630 50 0 IHAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1ccc(F)c(F)c1 ZINC000067258595 569466177 /nfs/dbraw/zinc/46/61/77/569466177.db2.gz MCIWREQFLRUPSU-UHFFFAOYSA-N 0 0 429.492 3.980 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCCCc4ccccc4)ccn3n2)cc1 ZINC000067261240 569466436 /nfs/dbraw/zinc/46/64/36/569466436.db2.gz WOSIRCJKCFOVSG-UHFFFAOYSA-N 0 0 444.535 3.701 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1OC ZINC000067289543 569467485 /nfs/dbraw/zinc/46/74/85/569467485.db2.gz ODMGZMGYQHNGSK-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCOc5ccc(C)cc54)c3)n2)c1 ZINC000067289572 569467512 /nfs/dbraw/zinc/46/75/12/569467512.db2.gz UOLPFYJJNQFHCL-UHFFFAOYSA-N 0 0 442.475 3.608 50 0 IHAARN CCOCCCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccccc2c1=O ZINC000067290987 569467637 /nfs/dbraw/zinc/46/76/37/569467637.db2.gz QPTRDNANVFSYED-NRFANRHFSA-N 0 0 437.565 3.719 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000067299596 569468145 /nfs/dbraw/zinc/46/81/45/569468145.db2.gz IZDZPOOUBVNHTC-GJZGRUSLSA-N 0 0 428.558 3.982 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(C)c(C)c3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067299697 569468159 /nfs/dbraw/zinc/46/81/59/569468159.db2.gz ZHZFMXZHQKWMJM-UHFFFAOYSA-N 0 0 436.537 3.700 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(Cl)cc1 ZINC000067300578 569468185 /nfs/dbraw/zinc/46/81/85/569468185.db2.gz XNRKLQICDZSVBK-UHFFFAOYSA-N 0 0 439.943 3.916 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1CCO ZINC000067300733 569468202 /nfs/dbraw/zinc/46/82/02/569468202.db2.gz COJBIJNFGXMHGY-UHFFFAOYSA-N 0 0 437.927 3.534 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)cc1F ZINC000067317996 569468461 /nfs/dbraw/zinc/46/84/61/569468461.db2.gz XZMIFQXYJMBTCG-UHFFFAOYSA-N 0 0 436.418 3.524 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)c(C)n1Cc1ccco1 ZINC000008555538 569468869 /nfs/dbraw/zinc/46/88/69/569468869.db2.gz XFJSKBGNDNSATM-UHFFFAOYSA-N 0 0 439.493 3.701 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000008650100 569469691 /nfs/dbraw/zinc/46/96/91/569469691.db2.gz NRORHTFPZNUJGS-UHFFFAOYSA-N 0 0 435.524 3.829 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 ZINC000008705012 569470377 /nfs/dbraw/zinc/47/03/77/569470377.db2.gz GAVAFAYCVXRKAQ-UHFFFAOYSA-N 0 0 449.454 3.745 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)cc1 ZINC000008710317 569470897 /nfs/dbraw/zinc/47/08/97/569470897.db2.gz AVRPJCBTPYODLD-FQEVSTJZSA-N 0 0 429.542 3.791 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1C[C@H]1CCCO1 ZINC000008713715 569471033 /nfs/dbraw/zinc/47/10/33/569471033.db2.gz UZHBCLZOZGECHE-NVXWUHKLSA-N 0 0 442.537 3.756 50 0 IHAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 ZINC000008722474 569471816 /nfs/dbraw/zinc/47/18/16/569471816.db2.gz HRYYVGLGIHTQDX-UHFFFAOYSA-N 0 0 427.353 3.807 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008724483 569471985 /nfs/dbraw/zinc/47/19/85/569471985.db2.gz FDVHYZRBTKRLOY-AWEZNQCLSA-N 0 0 426.567 3.828 50 0 IHAARN COc1cc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000008763696 569474549 /nfs/dbraw/zinc/47/45/49/569474549.db2.gz UBQVWXUUSSNYBK-LJQANCHMSA-N 0 0 439.533 3.749 50 0 IHAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(c5ncccn5)CC4)c(C)c3cc2c1C ZINC000008765438 569474721 /nfs/dbraw/zinc/47/47/21/569474721.db2.gz JDRZPFIMODVVMJ-UHFFFAOYSA-N 0 0 446.507 3.536 50 0 biogenic IHAARN Cc1cc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)c(C)n1C ZINC000008777473 569475376 /nfs/dbraw/zinc/47/53/76/569475376.db2.gz CFGKFMWUYIJHDA-UHFFFAOYSA-N 0 0 429.520 3.601 50 0 IHAARN CC1(C)CCc2c(cc(OCC(=O)NCc3ccncc3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008792052 569476305 /nfs/dbraw/zinc/47/63/05/569476305.db2.gz AGUBVVFYACPNDC-UHFFFAOYSA-N 0 0 448.519 3.866 50 0 biogenic IHAARN COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008809466 569476541 /nfs/dbraw/zinc/47/65/41/569476541.db2.gz KTENBXQFCAFJKA-OAPHXJCRSA-N 0 0 442.540 3.738 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000008825249 569477338 /nfs/dbraw/zinc/47/73/38/569477338.db2.gz NZASWQOBUBYSDD-UHFFFAOYSA-N 0 0 430.258 3.587 50 0 IHAARN COc1ccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008851877 569479381 /nfs/dbraw/zinc/47/93/81/569479381.db2.gz UOQLAVVQIMVEIA-UHFFFAOYSA-N 0 0 445.541 3.881 50 0 IHAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2cc1C ZINC000008868783 569480408 /nfs/dbraw/zinc/48/04/08/569480408.db2.gz HKERQTYIHSGYAL-UHFFFAOYSA-N 0 0 440.521 3.837 50 0 IHAARN O=C(C[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000008869971 569480508 /nfs/dbraw/zinc/48/05/08/569480508.db2.gz JCWHCTLMSYXTAF-OAQYLSRUSA-N 0 0 437.517 3.565 50 0 IHAARN COc1ccc2c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1OC ZINC000008878461 569481302 /nfs/dbraw/zinc/48/13/02/569481302.db2.gz OLPJOVXNACHFSU-CQSZACIVSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2C)no1 ZINC000008879577 569481366 /nfs/dbraw/zinc/48/13/66/569481366.db2.gz RANOZUOKQCRGSE-RUZDIDTESA-N 0 0 446.507 3.529 50 0 IHAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000008880687 569481484 /nfs/dbraw/zinc/48/14/84/569481484.db2.gz IJXBQRVHGXOTPS-QLXKLKPCSA-N 0 0 445.519 3.579 50 0 IHAARN CCc1ccc([C@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)cc1 ZINC000039980609 569482267 /nfs/dbraw/zinc/48/22/67/569482267.db2.gz HGJPSBTUOBYFOK-FQEVSTJZSA-N 0 0 434.608 3.898 50 0 IHAARN COc1ccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000040005039 569482452 /nfs/dbraw/zinc/48/24/52/569482452.db2.gz OKFIPYSXFUYTOO-UHFFFAOYSA-N 0 0 446.594 3.551 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000040013445 569482595 /nfs/dbraw/zinc/48/25/95/569482595.db2.gz PPOBMSFCSAMWHN-OAQYLSRUSA-N 0 0 427.508 3.977 50 0 IHAARN COc1ccc([C@H](CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)NC(C)=O)cc1 ZINC000040033957 569483231 /nfs/dbraw/zinc/48/32/31/569483231.db2.gz IVKIGMYPMRADKT-YWZLYKJASA-N 0 0 430.574 3.590 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008890593 569483252 /nfs/dbraw/zinc/48/32/52/569483252.db2.gz NXAAKKHOIUCDPR-LJQANCHMSA-N 0 0 437.805 3.691 50 0 IHAARN O=C(OCc1cccs1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000040034702 569483257 /nfs/dbraw/zinc/48/32/57/569483257.db2.gz INBSCROBWCUMDZ-INIZCTEOSA-N 0 0 444.372 3.797 50 0 IHAARN O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000040047002 569483742 /nfs/dbraw/zinc/48/37/42/569483742.db2.gz JIFCYQSLHBSJLN-UHFFFAOYSA-N 0 0 442.471 3.833 50 0 IHAARN O=C(Cc1ccc2c(c1)CCCC2)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008896241 569483905 /nfs/dbraw/zinc/48/39/05/569483905.db2.gz MULBGKMYPSOVCH-UHFFFAOYSA-N 0 0 439.515 3.635 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000040058768 569484649 /nfs/dbraw/zinc/48/46/49/569484649.db2.gz VRDFAXYNPCANBH-FQEVSTJZSA-N 0 0 428.554 3.928 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)sc2c1 ZINC000008916742 569485799 /nfs/dbraw/zinc/48/57/99/569485799.db2.gz WIGPPCPXASCOIR-UHFFFAOYSA-N 0 0 434.882 3.712 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1Sc1nc2cc(C)nn2c2ccccc21 ZINC000040071554 569485825 /nfs/dbraw/zinc/48/58/25/569485825.db2.gz JTEAQIFGFQXGIQ-UHFFFAOYSA-N 0 0 435.557 3.856 50 0 IHAARN CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000008918177 569486207 /nfs/dbraw/zinc/48/62/07/569486207.db2.gz AYNSWOBUPFONJJ-VWLOTQADSA-N 0 0 446.507 3.556 50 0 biogenic IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(Cc2ccccc2)o1 ZINC000008920183 569486438 /nfs/dbraw/zinc/48/64/38/569486438.db2.gz BKNNEPZRZVAXIJ-UHFFFAOYSA-N 0 0 430.917 3.503 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)Cc1c(C)noc1C ZINC000008920847 569486516 /nfs/dbraw/zinc/48/65/16/569486516.db2.gz BEYYUKDKXWYMLO-UHFFFAOYSA-N 0 0 449.916 3.935 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)no1 ZINC000040087377 569486697 /nfs/dbraw/zinc/48/66/97/569486697.db2.gz KNCMZJPHIYIXSU-UHFFFAOYSA-N 0 0 425.872 3.602 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O ZINC000008926990 569487280 /nfs/dbraw/zinc/48/72/80/569487280.db2.gz VSIGVPKHTSMILA-ZDUSSCGKSA-N 0 0 429.498 3.540 50 0 IHAARN CCN(C(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1cccc(C)c1 ZINC000008931754 569487539 /nfs/dbraw/zinc/48/75/39/569487539.db2.gz AYKCXZMSRAYVAD-UHFFFAOYSA-N 0 0 432.524 3.813 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 ZINC000008935812 569488037 /nfs/dbraw/zinc/48/80/37/569488037.db2.gz XRSFNZREMNRUIV-CYBMUJFWSA-N 0 0 444.384 3.982 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 ZINC000008935816 569488043 /nfs/dbraw/zinc/48/80/43/569488043.db2.gz XRSFNZREMNRUIV-ZDUSSCGKSA-N 0 0 444.384 3.982 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000008936582 569488119 /nfs/dbraw/zinc/48/81/19/569488119.db2.gz UECZSUUWDCOJLW-UHFFFAOYSA-N 0 0 446.569 3.758 50 0 IHAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O ZINC000008939961 569488285 /nfs/dbraw/zinc/48/82/85/569488285.db2.gz OATQYBFIEMQWAP-NRFANRHFSA-N 0 0 427.298 3.588 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106125 569488349 /nfs/dbraw/zinc/48/83/49/569488349.db2.gz IVAITIQKTPHRAS-GOEBONIOSA-N 0 0 429.966 3.596 50 0 IHAARN Cc1csc(=O)n1CCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040107176 569488442 /nfs/dbraw/zinc/48/84/42/569488442.db2.gz SGIKDSLACPBMJB-IBGZPJMESA-N 0 0 427.595 3.586 50 0 IHAARN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000040107848 569488455 /nfs/dbraw/zinc/48/84/55/569488455.db2.gz ZNTJKHAZBVKSJT-GOSISDBHSA-N 0 0 448.441 3.960 50 0 IHAARN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040108138 569488567 /nfs/dbraw/zinc/48/85/67/569488567.db2.gz HNQBIAFNCJCDCH-IBGZPJMESA-N 0 0 429.586 3.879 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2ccccc2C(F)(F)F)c(NC(C)C)n1 ZINC000008941561 569488638 /nfs/dbraw/zinc/48/86/38/569488638.db2.gz CHYCHKWAJBDPKK-UHFFFAOYSA-N 0 0 438.479 3.817 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 ZINC000008942051 569488681 /nfs/dbraw/zinc/48/86/81/569488681.db2.gz WQRPBLCEFBKJMV-UHFFFAOYSA-N 0 0 444.822 3.595 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(F)(F)c1ccccc1 ZINC000040114823 569489163 /nfs/dbraw/zinc/48/91/63/569489163.db2.gz CLFJTBMBHDYOAE-UHFFFAOYSA-N 0 0 426.485 3.846 50 0 IHAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc(F)cc2F)c(NCC(C)C)n1 ZINC000008949073 569489186 /nfs/dbraw/zinc/48/91/86/569489186.db2.gz BVBSCZAUTSLALK-UHFFFAOYSA-N 0 0 434.516 3.714 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000040129578 569489789 /nfs/dbraw/zinc/48/97/89/569489789.db2.gz JAUUMRATOALHPZ-OAHLLOKOSA-N 0 0 425.551 3.648 50 0 IHAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000040130767 569490306 /nfs/dbraw/zinc/49/03/06/569490306.db2.gz PEDGZSUESPSLOD-OAHLLOKOSA-N 0 0 428.330 3.986 50 0 IHAARN CCN1c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000008959422 569490348 /nfs/dbraw/zinc/49/03/48/569490348.db2.gz GJPVFCPEMHDNHH-UHFFFAOYSA-N 0 0 428.485 3.736 50 0 IHAARN COc1cc(OC)c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000040135111 569490635 /nfs/dbraw/zinc/49/06/35/569490635.db2.gz DYVMJMMOHNNFDX-UHFFFAOYSA-N 0 0 427.476 3.946 50 0 IHAARN CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000008966266 569491710 /nfs/dbraw/zinc/49/17/10/569491710.db2.gz MHFWBBFOFWFNCS-UHFFFAOYSA-N 0 0 446.529 3.766 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 ZINC000040141728 569491781 /nfs/dbraw/zinc/49/17/81/569491781.db2.gz OFGNOFCUUVLETP-IBGZPJMESA-N 0 0 425.435 3.673 50 0 IHAARN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000040145325 569492072 /nfs/dbraw/zinc/49/20/72/569492072.db2.gz ZVCOHNLNGFMZCF-IKKDXCMWSA-N 0 0 428.507 3.898 50 0 IHAARN Cc1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000040145706 569492164 /nfs/dbraw/zinc/49/21/64/569492164.db2.gz BDEBTDHCLROMMI-HXUWFJFHSA-N 0 0 447.605 3.603 50 0 IHAARN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008980639 569493083 /nfs/dbraw/zinc/49/30/83/569493083.db2.gz JSMBIQXPXDVCFZ-CYBMUJFWSA-N 0 0 440.443 3.721 50 0 IHAARN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000040150112 569493123 /nfs/dbraw/zinc/49/31/23/569493123.db2.gz ZPTWINUSDRVTRN-GOSISDBHSA-N 0 0 434.565 3.979 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008979645 569493129 /nfs/dbraw/zinc/49/31/29/569493129.db2.gz KULCHSFIIPXIKR-LJQANCHMSA-N 0 0 432.549 3.774 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](c3nccn3C)c3ccccc3)C2)c1 ZINC000040150804 569493240 /nfs/dbraw/zinc/49/32/40/569493240.db2.gz BMUAHIMZSQCWRJ-IRLDBZIGSA-N 0 0 431.540 3.878 50 0 IHAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1OC ZINC000040157541 569494304 /nfs/dbraw/zinc/49/43/04/569494304.db2.gz NFNGPMYGBHWFSA-UHFFFAOYSA-N 0 0 429.498 3.574 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 ZINC000040158990 569494627 /nfs/dbraw/zinc/49/46/27/569494627.db2.gz YAOOZKUNLQYZKH-YKSBVNFPSA-N 0 0 440.565 3.528 50 0 IHAARN CC[C@H](C)[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O ZINC000040159164 569494709 /nfs/dbraw/zinc/49/47/09/569494709.db2.gz COZOTFGAPBDCNI-DJJJIMSYSA-N 0 0 425.872 3.742 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)cc21 ZINC000040450315 569506242 /nfs/dbraw/zinc/50/62/42/569506242.db2.gz KXKYUQBDPZRHGN-SWLSCSKDSA-N 0 0 429.380 3.605 50 0 IHAARN COc1cccc(C(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009006121 569496141 /nfs/dbraw/zinc/49/61/41/569496141.db2.gz PIUXYYOFWIAOEZ-HXUWFJFHSA-N 0 0 430.913 3.689 50 0 IHAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(I)cn1 ZINC000009016169 569496806 /nfs/dbraw/zinc/49/68/06/569496806.db2.gz FNUBPOSFNDLXER-FPYGCLRLSA-N 0 0 443.697 3.866 50 0 IHAARN COc1ccc(CCC(=O)N2CC[C@@H](Oc3cccc4cccnc43)C2)c(OC)c1OC ZINC000244998625 569496870 /nfs/dbraw/zinc/49/68/70/569496870.db2.gz 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Cc1ccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n2N)cc1 ZINC000009056258 569498990 /nfs/dbraw/zinc/49/89/90/569498990.db2.gz VYUBUNOMDWZXNI-CQSZACIVSA-N 0 0 438.582 3.889 50 0 IHAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1cccc2ccccc21 ZINC000009056478 569499063 /nfs/dbraw/zinc/49/90/63/569499063.db2.gz PDWNTACGJNAHPU-UHFFFAOYSA-N 0 0 427.551 3.750 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)n2)cc1 ZINC000009056576 569499082 /nfs/dbraw/zinc/49/90/82/569499082.db2.gz IUZOLDYVCFPWKG-FPTDNZKUSA-N 0 0 426.542 3.812 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000009056720 569499102 /nfs/dbraw/zinc/49/91/02/569499102.db2.gz OFMJVIFFTWYLAM-SANMLTNESA-N 0 0 439.471 3.515 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 ZINC000009057965 569499190 /nfs/dbraw/zinc/49/91/90/569499190.db2.gz IFGQCFANNATYMW-HZPDHXFCSA-N 0 0 432.586 3.830 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 ZINC000009057962 569499194 /nfs/dbraw/zinc/49/91/94/569499194.db2.gz IFGQCFANNATYMW-CVEARBPZSA-N 0 0 432.586 3.830 50 0 IHAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000009058434 569499275 /nfs/dbraw/zinc/49/92/75/569499275.db2.gz NMXYWUIWJVWCQE-UHFFFAOYSA-N 0 0 428.941 3.894 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009060590 569499452 /nfs/dbraw/zinc/49/94/52/569499452.db2.gz QCNYTURJSKHHGX-IBGZPJMESA-N 0 0 439.493 3.651 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 ZINC000009094832 569501234 /nfs/dbraw/zinc/50/12/34/569501234.db2.gz CXNNVJKHXWODGB-ZDUSSCGKSA-N 0 0 433.327 3.908 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000009094974 569501300 /nfs/dbraw/zinc/50/13/00/569501300.db2.gz DANJKMLHXVQFCS-UHFFFAOYSA-N 0 0 438.505 3.629 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000009096861 569501450 /nfs/dbraw/zinc/50/14/50/569501450.db2.gz CNAGQSICYOTUIL-UHFFFAOYSA-N 0 0 441.987 3.931 50 0 IHAARN NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000009100743 569501508 /nfs/dbraw/zinc/50/15/08/569501508.db2.gz PRBJDAWXPUZAQO-UHFFFAOYSA-N 0 0 426.476 3.862 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccc2c(c1)OCO2 ZINC000009104066 569501784 /nfs/dbraw/zinc/50/17/84/569501784.db2.gz OJGUQQVVCWVBKB-AWEZNQCLSA-N 0 0 441.534 3.922 50 0 IHAARN Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(Cc4ccccc4F)CC3)n2)c1 ZINC000040415679 569502235 /nfs/dbraw/zinc/50/22/35/569502235.db2.gz BCTPOVPCLHHDIG-UHFFFAOYSA-N 0 0 426.467 3.831 50 0 IHAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000009111163 569502263 /nfs/dbraw/zinc/50/22/63/569502263.db2.gz VXCLYNXHHVLCPH-QUMGSSFMSA-N 0 0 448.522 3.997 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1OC ZINC000009115253 569502695 /nfs/dbraw/zinc/50/26/95/569502695.db2.gz MHBOULAPBJMYDL-UHFFFAOYSA-N 0 0 442.537 3.610 50 0 biogenic IHAARN COc1ccc([S@@](=O)Cc2ccc(C(=O)NCc3cccc(OC)c3OC)o2)cc1 ZINC000009115749 569502826 /nfs/dbraw/zinc/50/28/26/569502826.db2.gz DCIFWBIXZBUTAR-SSEXGKCCSA-N 0 0 429.494 3.543 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccccn5)C4)sc3n2)cc1 ZINC000009117489 569503168 /nfs/dbraw/zinc/50/31/68/569503168.db2.gz RYPBRBRFEITJQD-SFHVURJKSA-N 0 0 432.553 3.694 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)CCc1c[nH]c3ccccc13)CCC2 ZINC000009120610 569503996 /nfs/dbraw/zinc/50/39/96/569503996.db2.gz HYWREAOMTZOWOZ-UHFFFAOYSA-N 0 0 426.494 3.619 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000009125056 569504514 /nfs/dbraw/zinc/50/45/14/569504514.db2.gz VDCOPGWTIZXQIU-GOSISDBHSA-N 0 0 436.599 3.600 50 0 IHAARN Cn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1-c1ccncc1 ZINC000009125875 569504781 /nfs/dbraw/zinc/50/47/81/569504781.db2.gz QLSCOMSSNWVOFV-QGZVFWFLSA-N 0 0 441.944 3.844 50 0 IHAARN CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000009128011 569505345 /nfs/dbraw/zinc/50/53/45/569505345.db2.gz 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CCOC(=O)c1cnc(S[C@H](CC)C(=O)N2CCC(Cc3ccccc3)CC2)nc1N ZINC000009153530 569508098 /nfs/dbraw/zinc/50/80/98/569508098.db2.gz NFRAGXZCSZWZDR-LJQANCHMSA-N 0 0 442.585 3.588 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1ccc(F)cc1)n2C ZINC000009153811 569508186 /nfs/dbraw/zinc/50/81/86/569508186.db2.gz OUSNQJMUOVZMFN-UHFFFAOYSA-N 0 0 443.478 3.899 50 0 IHAARN CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165885 569508880 /nfs/dbraw/zinc/50/88/80/569508880.db2.gz DNNWDFFFKOLDDI-UHFFFAOYSA-N 0 0 432.542 3.904 50 0 IHAARN CCN1c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc2OCC(C)(C)C1=O ZINC000009166459 569508903 /nfs/dbraw/zinc/50/89/03/569508903.db2.gz XZVJAKFBUSHLBH-UHFFFAOYSA-N 0 0 445.541 3.526 50 0 IHAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009170256 569509286 /nfs/dbraw/zinc/50/92/86/569509286.db2.gz TXZKPCLOXGQWDK-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN CCCN1c2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000009171735 569509511 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569527421 /nfs/dbraw/zinc/52/74/21/569527421.db2.gz NQKYMHCFVIPXHZ-APWZRJJASA-N 0 0 437.931 3.650 50 0 IHAARN O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000070009962 569528040 /nfs/dbraw/zinc/52/80/40/569528040.db2.gz CKECEEZIJCYTOH-UHFFFAOYSA-N 0 0 427.298 3.912 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)Cc1cccs1 ZINC000009381366 569528097 /nfs/dbraw/zinc/52/80/97/569528097.db2.gz PWXVGEMIXQUYOO-UHFFFAOYSA-N 0 0 439.518 3.867 50 0 IHAARN NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070014875 569528562 /nfs/dbraw/zinc/52/85/62/569528562.db2.gz MCIRFUDRBMVJMO-INIZCTEOSA-N 0 0 445.397 3.560 50 0 IHAARN Nc1nc(COC(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)nc2ccccc12 ZINC000070017374 569528611 /nfs/dbraw/zinc/52/86/11/569528611.db2.gz ALGJSSCTDWHFBF-UHFFFAOYSA-N 0 0 448.504 3.511 50 0 IHAARN CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009390416 569528643 /nfs/dbraw/zinc/52/86/43/569528643.db2.gz NZYBOTFUHFWFAV-UHFFFAOYSA-N 0 0 425.510 3.555 50 0 IHAARN C[C@H](C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009390580 569528696 /nfs/dbraw/zinc/52/86/96/569528696.db2.gz SAYGRMXQNDDUNX-VFNWGFHPSA-N 0 0 446.434 3.733 50 0 IHAARN CC(C)N1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 ZINC000009390601 569528728 /nfs/dbraw/zinc/52/87/28/569528728.db2.gz GDXINBUTCAJPLO-UHFFFAOYSA-N 0 0 428.377 3.690 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)cc1 ZINC000009392134 569529023 /nfs/dbraw/zinc/52/90/23/569529023.db2.gz LXFOPSABEXNBLJ-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009397787 569529288 /nfs/dbraw/zinc/52/92/88/569529288.db2.gz UDKOXHGDZKSKHJ-KRWDZBQOSA-N 0 0 442.459 3.841 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)CSC3)cc1 ZINC000009404505 569529713 /nfs/dbraw/zinc/52/97/13/569529713.db2.gz QTTIZZOFHDTQGL-UHFFFAOYSA-N 0 0 432.505 3.833 50 0 IHAARN CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000009405112 569529792 /nfs/dbraw/zinc/52/97/92/569529792.db2.gz FNEZHRYIHDYYTC-SFHVURJKSA-N 0 0 449.511 3.883 50 0 IHAARN CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000009405104 569529796 /nfs/dbraw/zinc/52/97/96/569529796.db2.gz PPIYDLKHTUNVOI-SFHVURJKSA-N 0 0 437.569 3.554 50 0 IHAARN CC1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1 ZINC000009406884 569530184 /nfs/dbraw/zinc/53/01/84/569530184.db2.gz PWAVFRGNDAUXBG-UHFFFAOYSA-N 0 0 440.569 3.545 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 ZINC000009409016 569530826 /nfs/dbraw/zinc/53/08/26/569530826.db2.gz AJNUDZYWVLHXSV-IBGZPJMESA-N 0 0 428.286 3.736 50 0 IHAARN CC(=O)Nc1cccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000009409444 569531028 /nfs/dbraw/zinc/53/10/28/569531028.db2.gz GKASBVBEIQPKGX-UHFFFAOYSA-N 0 0 444.535 3.951 50 0 IHAARN O=C(CCc1cccs1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009413497 569531750 /nfs/dbraw/zinc/53/17/50/569531750.db2.gz DBFROVUEPKHGHP-UHFFFAOYSA-N 0 0 444.534 3.891 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 ZINC000009413811 569531910 /nfs/dbraw/zinc/53/19/10/569531910.db2.gz LJCNFMGDJHCHSK-SSEXGKCCSA-N 0 0 425.510 3.521 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C(C)=O)cc4)nn32)cc1 ZINC000009415192 569532168 /nfs/dbraw/zinc/53/21/68/569532168.db2.gz RCMGAEVVMXUVNX-UHFFFAOYSA-N 0 0 433.493 3.733 50 0 IHAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000009418735 569532463 /nfs/dbraw/zinc/53/24/63/569532463.db2.gz XMKUCECFGCQXQR-UHFFFAOYSA-N 0 0 428.441 3.631 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)NCc3ccncc3)cc1)CC2 ZINC000009419210 569532475 /nfs/dbraw/zinc/53/24/75/569532475.db2.gz MJZSNYMEFRPYGZ-UHFFFAOYSA-N 0 0 446.507 3.619 50 0 biogenic IHAARN O=C(Nc1cnc2ccccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009422852 569532894 /nfs/dbraw/zinc/53/28/94/569532894.db2.gz PQINYULGERQWGK-UHFFFAOYSA-N 0 0 429.929 3.928 50 0 IHAARN O=C(Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21)Nc1ccc(F)cc1 ZINC000009429795 569533773 /nfs/dbraw/zinc/53/37/73/569533773.db2.gz PHMLDPRJGXQWCB-SGTLLEGYSA-N 0 0 428.510 3.934 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)cc2NC1=O ZINC000009429980 569533851 /nfs/dbraw/zinc/53/38/51/569533851.db2.gz BKLGHLLULGENQW-INIZCTEOSA-N 0 0 438.958 3.965 50 0 IHAARN COC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2ccc(Br)cc2)S1 ZINC000009430953 569534067 /nfs/dbraw/zinc/53/40/67/569534067.db2.gz QLRSLQMWIZZGMU-INIZCTEOSA-N 0 0 442.360 3.599 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC(C)C)[C@H]1c1cccs1 ZINC000009432680 569534398 /nfs/dbraw/zinc/53/43/98/569534398.db2.gz IJAASQJPGMJDQT-NHCUHLMSSA-N 0 0 430.570 3.607 50 0 IHAARN CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1cccc(C)c1 ZINC000009440764 569535284 /nfs/dbraw/zinc/53/52/84/569535284.db2.gz YUVXYZYFEQTUNT-HNNXBMFYSA-N 0 0 432.567 3.645 50 0 IHAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Br)cc1F ZINC000009449912 569536215 /nfs/dbraw/zinc/53/62/15/569536215.db2.gz WCXKTMBKDOTZSN-UHFFFAOYSA-N 0 0 448.292 3.791 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000009451081 569536342 /nfs/dbraw/zinc/53/63/42/569536342.db2.gz VFNLJTHEUIUEOZ-FQEVSTJZSA-N 0 0 441.578 3.834 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009451523 569536378 /nfs/dbraw/zinc/53/63/78/569536378.db2.gz YUNNEWQSTPZNNQ-UHFFFAOYSA-N 0 0 443.895 3.572 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000009451431 569536416 /nfs/dbraw/zinc/53/64/16/569536416.db2.gz UMUJMHZZZZOXRX-GOSISDBHSA-N 0 0 435.929 3.882 50 0 IHAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(C)cc4C)n3N)n[nH]2)cc1 ZINC000009453600 569536593 /nfs/dbraw/zinc/53/65/93/569536593.db2.gz POFTVJFECFDQTG-UHFFFAOYSA-N 0 0 433.541 3.705 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000009453225 569536609 /nfs/dbraw/zinc/53/66/09/569536609.db2.gz NNVCKKWETVELFA-BWKNWUBXSA-N 0 0 428.444 3.785 50 0 IHAARN CCCCCCn1nc(C(=O)OCCCn2c3ccccc3[nH]c2=O)c2ccccc2c1=O ZINC000009458434 569536784 /nfs/dbraw/zinc/53/67/84/569536784.db2.gz SGSIOQKOYBYYEE-UHFFFAOYSA-N 0 0 448.523 3.867 50 0 IHAARN Nn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1-c1ccccc1Br ZINC000009460009 569536890 /nfs/dbraw/zinc/53/68/90/569536890.db2.gz KUDRBWPTDGUESR-UHFFFAOYSA-N 0 0 445.298 3.526 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009463670 569537496 /nfs/dbraw/zinc/53/74/96/569537496.db2.gz KFLLBWZVXWIUGB-SFHVURJKSA-N 0 0 442.364 3.897 50 0 IHAARN CCn1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nnc1-c1cccs1 ZINC000009465270 569537914 /nfs/dbraw/zinc/53/79/14/569537914.db2.gz KGJQVTOAZKGZRC-UHFFFAOYSA-N 0 0 429.527 3.573 50 0 IHAARN COc1ccc(OC)c(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000009465584 569537967 /nfs/dbraw/zinc/53/79/67/569537967.db2.gz WXDOZXDBBXELRV-UHFFFAOYSA-N 0 0 433.526 3.626 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccccc1 ZINC000009465911 569538090 /nfs/dbraw/zinc/53/80/90/569538090.db2.gz DLZQXKJQGQUMER-UHFFFAOYSA-N 0 0 437.481 3.547 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)C)nnc2-c2ccccc2F)cc1 ZINC000009466856 569538236 /nfs/dbraw/zinc/53/82/36/569538236.db2.gz NIVBLKSKNMNHLV-UHFFFAOYSA-N 0 0 427.505 3.708 50 0 IHAARN O=C(Nc1ccccc1NC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009467000 569538336 /nfs/dbraw/zinc/53/83/36/569538336.db2.gz IFQRCGBXFDFFJP-UHFFFAOYSA-N 0 0 443.569 3.704 50 0 IHAARN CCCn1c(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)nnc1-c1ccncc1 ZINC000009469927 569538867 /nfs/dbraw/zinc/53/88/67/569538867.db2.gz XYYTXHJNDVIDKH-UHFFFAOYSA-N 0 0 433.545 3.862 50 0 IHAARN Cc1ccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCCCC2)cc1 ZINC000009471000 569538922 /nfs/dbraw/zinc/53/89/22/569538922.db2.gz DLYPWGDUGFXQQG-UHFFFAOYSA-N 0 0 432.557 3.834 50 0 IHAARN Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000009478156 569539308 /nfs/dbraw/zinc/53/93/08/569539308.db2.gz QDAQQSDFUMRPBA-RUZDIDTESA-N 0 0 444.491 3.572 50 0 IHAARN Cc1c2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2oc1C(=O)c1ccccc1 ZINC000009486647 569539634 /nfs/dbraw/zinc/53/96/34/569539634.db2.gz HNVXRQSTPZQUEP-UHFFFAOYSA-N 0 0 438.443 3.716 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O ZINC000009486945 569539652 /nfs/dbraw/zinc/53/96/52/569539652.db2.gz UHMGNNFYTNBSQY-HXUWFJFHSA-N 0 0 436.295 3.716 50 0 IHAARN COc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009491365 569540310 /nfs/dbraw/zinc/54/03/10/569540310.db2.gz GFAFGGXCYRBRRF-UHFFFAOYSA-N 0 0 429.826 3.876 50 0 IHAARN Cc1cc(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000009491736 569540383 /nfs/dbraw/zinc/54/03/83/569540383.db2.gz GAKDCYXPEPWIBK-IBGZPJMESA-N 0 0 440.590 3.851 50 0 IHAARN O=C(CSc1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009493515 569540768 /nfs/dbraw/zinc/54/07/68/569540768.db2.gz CONXQLHUMYUJCV-UHFFFAOYSA-N 0 0 445.393 3.619 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009496315 569541205 /nfs/dbraw/zinc/54/12/05/569541205.db2.gz ZXQQFZZOCJBFFW-UHFFFAOYSA-N 0 0 429.524 3.538 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000009503126 569541704 /nfs/dbraw/zinc/54/17/04/569541704.db2.gz LJCXRQVDZXYTJG-FQEVSTJZSA-N 0 0 443.503 3.935 50 0 IHAARN COc1cc(C2=N/C(=C\c3ccc(F)c(Br)c3)C(=O)O2)cc(OC)c1OC ZINC000009507454 569541998 /nfs/dbraw/zinc/54/19/98/569541998.db2.gz MLRDKXLFDLSGTL-AUWJEWJLSA-N 0 0 436.233 3.959 50 0 IHAARN COC(=O)C1=C(c2cc3ccccc3oc2=O)NC(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000009508689 569542336 /nfs/dbraw/zinc/54/23/36/569542336.db2.gz MNHGSQMNHMYDSF-QGZVFWFLSA-N 0 0 426.881 3.550 50 0 IHAARN O=C(CNc1ccc(Cl)cc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009508789 569542397 /nfs/dbraw/zinc/54/23/97/569542397.db2.gz XOVYNNFRJQEJRK-UHFFFAOYSA-N 0 0 425.913 3.704 50 0 IHAARN CN(Cc1cccs1)C(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009515709 569543359 /nfs/dbraw/zinc/54/33/59/569543359.db2.gz GGCRDXGVIYAFCF-UHFFFAOYSA-N 0 0 441.534 3.875 50 0 IHAARN COc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009516390 569543417 /nfs/dbraw/zinc/54/34/17/569543417.db2.gz IJEYNIUOMRZJKI-OAQYLSRUSA-N 0 0 446.438 3.515 50 0 IHAARN Cc1ccccc1-n1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000009518293 569544027 /nfs/dbraw/zinc/54/40/27/569544027.db2.gz JVCGSINXALATAH-INIZCTEOSA-N 0 0 448.548 3.563 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2 ZINC000009526869 569544601 /nfs/dbraw/zinc/54/46/01/569544601.db2.gz OBAPHHUJUDFOBX-UHFFFAOYSA-N 0 0 445.350 3.652 50 0 IHAARN COc1ccc(Nc2nnc(-c3cc4c(CO)cnc(C)c4oc3=O)s2)cc1Cl ZINC000009529842 569544925 /nfs/dbraw/zinc/54/49/25/569544925.db2.gz URGKJERNYJYWBB-UHFFFAOYSA-N 0 0 430.873 3.913 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1Cl ZINC000009530099 569544964 /nfs/dbraw/zinc/54/49/64/569544964.db2.gz XYKBOWQLAPRADU-IRXDYDNUSA-N 0 0 435.958 3.581 50 0 IHAARN CCn1c2cc(OC)ccc2c(C[NH2+]CCc2ccc(OC)c(OC)c2OC)c1C(=O)[O-] ZINC000009532705 569545365 /nfs/dbraw/zinc/54/53/65/569545365.db2.gz OSOVZODWCBTLQJ-UHFFFAOYSA-N 0 0 442.512 3.726 50 0 IHAARN O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009533421 569545420 /nfs/dbraw/zinc/54/54/20/569545420.db2.gz ZHZYZTVOJQZFOH-NRFANRHFSA-N 0 0 445.972 3.770 50 0 IHAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(OC(F)F)cc1 ZINC000009540559 569545827 /nfs/dbraw/zinc/54/58/27/569545827.db2.gz FWRXGTVIQQJBLR-UHFFFAOYSA-N 0 0 443.328 3.838 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3c(F)cccc3F)c3ccccc3c2=O)c(OC)c1 ZINC000009543647 569545903 /nfs/dbraw/zinc/54/59/03/569545903.db2.gz YGZSEUXLZDAMJE-UHFFFAOYSA-N 0 0 437.402 3.933 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2oc1-c1ccccc1 ZINC000009544980 569546088 /nfs/dbraw/zinc/54/60/88/569546088.db2.gz GONYFUKFLKLYGD-UHFFFAOYSA-N 0 0 448.475 3.694 50 0 IHAARN O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N[C@H]1CCCc2ccccc21 ZINC000009547289 569546380 /nfs/dbraw/zinc/54/63/80/569546380.db2.gz FBQLQAXCZRGASF-NRFANRHFSA-N 0 0 442.519 3.528 50 0 IHAARN CN(c1ccc(OCC(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000009548699 569546500 /nfs/dbraw/zinc/54/65/00/569546500.db2.gz BDWJOKSRHFJUHT-UHFFFAOYSA-N 0 0 428.535 3.541 50 0 IHAARN NC(=O)NC(=O)[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000009548950 569546583 /nfs/dbraw/zinc/54/65/83/569546583.db2.gz MASYDKZYNMYQAC-SFHVURJKSA-N 0 0 432.509 3.790 50 0 IHAARN COCCNC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCCC2 ZINC000009549534 569546616 /nfs/dbraw/zinc/54/66/16/569546616.db2.gz RKCOQYRLODAUAY-INIZCTEOSA-N 0 0 447.626 3.840 50 0 IHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009549710 569546623 /nfs/dbraw/zinc/54/66/23/569546623.db2.gz WKKHXFZACMMTFW-UHFFFAOYSA-N 0 0 438.487 3.824 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccco2)C[C@H](C)S3)c1 ZINC000009560167 569547062 /nfs/dbraw/zinc/54/70/62/569547062.db2.gz QCIDSSRNIICKFM-HNNXBMFYSA-N 0 0 441.578 3.888 50 0 IHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccc(F)cc4)nn32)cc1 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/nfs/dbraw/zinc/56/56/48/569565648.db2.gz UHXJYRVIFYSWDD-UHFFFAOYSA-N 0 0 432.459 3.649 50 0 IHAARN CCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2c3ccccc3oc2c1=O ZINC000009751848 569566086 /nfs/dbraw/zinc/56/60/86/569566086.db2.gz GEIPARBKYMXIIC-UHFFFAOYSA-N 0 0 437.521 3.970 50 0 IHAARN O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)Nc1ccc(F)cc1 ZINC000009761499 569566266 /nfs/dbraw/zinc/56/62/66/569566266.db2.gz YILJHRGZWWAPSA-UHFFFAOYSA-N 0 0 434.290 3.865 50 0 IHAARN CC(C)[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)OCCCO2 ZINC000009781404 569567583 /nfs/dbraw/zinc/56/75/83/569567583.db2.gz CIQWSDCLZXMXBN-JOCHJYFZSA-N 0 0 441.915 3.725 50 0 IHAARN Cc1sc2nc(CSCc3nc(N)nc(Nc4ccccc4C)n3)[nH]c(=O)c2c1C ZINC000009781911 569567602 /nfs/dbraw/zinc/56/76/02/569567602.db2.gz JLQNXJYVEGQLLA-UHFFFAOYSA-N 0 0 439.570 3.854 50 0 IHAARN NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000009784980 569567876 /nfs/dbraw/zinc/56/78/76/569567876.db2.gz RBOZGGJRAFPHPW-UHFFFAOYSA-N 0 0 429.889 3.721 50 0 IHAARN COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)n1 ZINC000009795581 569568461 /nfs/dbraw/zinc/56/84/61/569568461.db2.gz AXIWUYCIWXQICH-XMMPIXPASA-N 0 0 428.448 3.866 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(F)cc3)n1C)CCC2 ZINC000009798009 569568559 /nfs/dbraw/zinc/56/85/59/569568559.db2.gz QHNBPPGHTRFVEW-UHFFFAOYSA-N 0 0 446.529 3.689 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)cc1F ZINC000009802914 569568639 /nfs/dbraw/zinc/56/86/39/569568639.db2.gz BHSDJBWPFJRMPI-UHFFFAOYSA-N 0 0 447.513 3.651 50 0 IHAARN COc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c(OC)c1 ZINC000009808937 569569062 /nfs/dbraw/zinc/56/90/62/569569062.db2.gz IYITUOPZBDOBJN-UHFFFAOYSA-N 0 0 440.500 3.895 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000009812409 569569130 /nfs/dbraw/zinc/56/91/30/569569130.db2.gz BUDPICLQTPUWFV-UHFFFAOYSA-N 0 0 435.432 3.729 50 0 IHAARN COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2nccc(C)n2)cc1=O ZINC000009815272 569569219 /nfs/dbraw/zinc/56/92/19/569569219.db2.gz ASYOTAGJYIJQBL-UHFFFAOYSA-N 0 0 438.553 3.812 50 0 IHAARN COc1cc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn32)cc(OC)c1 ZINC000009829103 569569989 /nfs/dbraw/zinc/56/99/89/569569989.db2.gz KLVIZWFXRYWQMM-UHFFFAOYSA-N 0 0 435.509 3.848 50 0 IHAARN Cc1ccc2cccc(OC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)c2n1 ZINC000009833328 569570343 /nfs/dbraw/zinc/57/03/43/569570343.db2.gz PHUPMBVURUFPJV-UHFFFAOYSA-N 0 0 439.537 3.613 50 0 IHAARN Cc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000009837739 569570768 /nfs/dbraw/zinc/57/07/68/569570768.db2.gz MKANFISTRAREBQ-UHFFFAOYSA-N 0 0 428.579 3.919 50 0 IHAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(C)cc1 ZINC000009837936 569570809 /nfs/dbraw/zinc/57/08/09/569570809.db2.gz AFEHHEPVQAHUJA-UHFFFAOYSA-N 0 0 426.542 3.786 50 0 IHAARN COc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n3nc(C)nc3c2cc1OC ZINC000009838563 569570866 /nfs/dbraw/zinc/57/08/66/569570866.db2.gz KUHNMGVVGOROSV-UHFFFAOYSA-N 0 0 443.916 3.987 50 0 IHAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 ZINC000009855523 569571530 /nfs/dbraw/zinc/57/15/30/569571530.db2.gz YRURPZJNZNBESP-UHFFFAOYSA-N 0 0 440.455 3.908 50 0 IHAARN CCCN(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)c1ccccc1F ZINC000009860811 569571943 /nfs/dbraw/zinc/57/19/43/569571943.db2.gz UGMCEHOZPSSBAS-UHFFFAOYSA-N 0 0 430.483 3.965 50 0 IHAARN COc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009860877 569571955 /nfs/dbraw/zinc/57/19/55/569571955.db2.gz CZEITEFWINJXGV-UHFFFAOYSA-N 0 0 448.910 3.707 50 0 IHAARN C[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCCO2 ZINC000009871708 569572361 /nfs/dbraw/zinc/57/23/61/569572361.db2.gz PGNIYIHMOSTIHH-OAHLLOKOSA-N 0 0 447.516 3.774 50 0 IHAARN CC(=O)C[C@]1(O)c2cc(Br)ccc2N(CCCOc2ccccc2C)C1=O ZINC000009872961 569572496 /nfs/dbraw/zinc/57/24/96/569572496.db2.gz AJZMBNJGJFXXBD-NRFANRHFSA-N 0 0 432.314 3.740 50 0 IHAARN CCc1ccc(Oc2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C)cc1 ZINC000009886103 569572889 /nfs/dbraw/zinc/57/28/89/569572889.db2.gz ASKVYIONTDLZON-UHFFFAOYSA-N 0 0 442.878 3.629 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cncn3-c3ccccc3)c2)cc1 ZINC000009915543 569573407 /nfs/dbraw/zinc/57/34/07/569573407.db2.gz DSPQJKOJYMXRSN-UHFFFAOYSA-N 0 0 448.504 3.934 50 0 IHAARN O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1ccc(Cl)cc1Cl ZINC000071280834 569573598 /nfs/dbraw/zinc/57/35/98/569573598.db2.gz BLPMQNCXKCPNSO-UHFFFAOYSA-N 0 0 433.291 3.865 50 0 IHAARN Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)N[C@@H](C)CCc2ccccc2)cc1C ZINC000009940573 569573978 /nfs/dbraw/zinc/57/39/78/569573978.db2.gz JEMOEZRGZNUREU-FQEVSTJZSA-N 0 0 428.536 3.942 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@H]1c1ccccc1 ZINC000009957537 569574833 /nfs/dbraw/zinc/57/48/33/569574833.db2.gz DIJUDEAMDASESJ-FQEVSTJZSA-N 0 0 434.508 3.729 50 0 IHAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3C)C3=C2C(=O)OC3)cc1 ZINC000071326883 569575017 /nfs/dbraw/zinc/57/50/17/569575017.db2.gz YRNNQIDQOLTBJH-OAQYLSRUSA-N 0 0 437.521 3.541 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2c3ccccc3sc2c(=O)n(Cc2ccco2)c1=O ZINC000009959857 569575299 /nfs/dbraw/zinc/57/52/99/569575299.db2.gz DHDSRPKMRYDVKD-UHFFFAOYSA-N 0 0 445.500 3.966 50 0 IHAARN COc1ccc(-c2noc(COC(=O)CSc3ncnc4sccc43)n2)c(OC)c1 ZINC000009960176 569575375 /nfs/dbraw/zinc/57/53/75/569575375.db2.gz ZNAPRRABANTAMM-UHFFFAOYSA-N 0 0 444.494 3.594 50 0 IHAARN Nn1c(=O)c2cc(Br)ccc2nc1SCc1cccc(Br)c1 ZINC000071327690 569575401 /nfs/dbraw/zinc/57/54/01/569575401.db2.gz RKZCTDIMMDEVPF-UHFFFAOYSA-N 0 0 441.148 3.928 50 0 IHAARN CCCCn1c2sc3c(c2c(=O)n(-c2ccc(F)cc2)c1=O)CCN(C(=O)OCC)C3 ZINC000009960236 569575402 /nfs/dbraw/zinc/57/54/02/569575402.db2.gz VFWLFJZJQGJVFT-UHFFFAOYSA-N 0 0 445.516 3.668 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CCCOc1ccc(OC)cc1 ZINC000009963943 569575873 /nfs/dbraw/zinc/57/58/73/569575873.db2.gz PCGIAZAVXODANK-UHFFFAOYSA-N 0 0 435.498 3.501 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000009963969 569575884 /nfs/dbraw/zinc/57/58/84/569575884.db2.gz YJODLUFTBWDQLQ-GOSISDBHSA-N 0 0 428.222 3.677 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000009969969 569576163 /nfs/dbraw/zinc/57/61/63/569576163.db2.gz LRKMSIBNOHFJRO-IBGZPJMESA-N 0 0 432.314 3.938 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccccc2)cc1C ZINC000009972054 569576346 /nfs/dbraw/zinc/57/63/46/569576346.db2.gz MTHFOZBKGKCAJB-UHFFFAOYSA-N 0 0 438.549 3.511 50 0 IHAARN O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009991917 569576908 /nfs/dbraw/zinc/57/69/08/569576908.db2.gz CZCUPPWWXYWJQU-HXUWFJFHSA-N 0 0 436.899 3.746 50 0 IHAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3cccc(Cl)c3C)c(C)c2c1=O ZINC000010013102 569577041 /nfs/dbraw/zinc/57/70/41/569577041.db2.gz QHQQMXYVUWWGLV-UHFFFAOYSA-N 0 0 446.960 3.849 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 ZINC000010019862 569577156 /nfs/dbraw/zinc/57/71/56/569577156.db2.gz ODHITLIRGZEPPS-UHFFFAOYSA-N 0 0 444.944 3.766 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1-c1ccc(C)cc1 ZINC000010037359 569577456 /nfs/dbraw/zinc/57/74/56/569577456.db2.gz IFZMCIGHNYLFKO-UHFFFAOYSA-N 0 0 439.932 3.849 50 0 IHAARN COc1cccc(-n2c(SCC(=O)N3C[C@H](C)C[C@H](C)C3)nc3ccccc3c2=O)c1 ZINC000010084591 569577735 /nfs/dbraw/zinc/57/77/35/569577735.db2.gz KFDQNQVMDSBRNA-CALCHBBNSA-N 0 0 437.565 3.991 50 0 IHAARN Cc1c(C)n(C2CCCC2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n12 ZINC000010103041 569577821 /nfs/dbraw/zinc/57/78/21/569577821.db2.gz WMLIXLCPJYHKGS-UHFFFAOYSA-N 0 0 425.920 3.583 50 0 IHAARN CC[C@@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(Cc1c(F)cccc1Cl)c3=O ZINC000010104253 569577878 /nfs/dbraw/zinc/57/78/78/569577878.db2.gz URBUMZODBNYYHD-LLVKDONJSA-N 0 0 431.899 3.578 50 0 IHAARN O=C(CSc1ccc2ccccc2n1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000010140083 569578112 /nfs/dbraw/zinc/57/81/12/569578112.db2.gz GEEJBYXUEJPYDT-MRXNPFEDSA-N 0 0 432.592 3.604 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)cc1 ZINC000010186697 569578396 /nfs/dbraw/zinc/57/83/96/569578396.db2.gz OELPDCWDRQNJNG-UHFFFAOYSA-N 0 0 434.565 3.859 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)cc1 ZINC000010186716 569578496 /nfs/dbraw/zinc/57/84/96/569578496.db2.gz MUWRAWMLHTYFDH-UHFFFAOYSA-N 0 0 439.537 3.893 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000010187762 569578689 /nfs/dbraw/zinc/57/86/89/569578689.db2.gz YRAXIYUDJWCQIY-UHFFFAOYSA-N 0 0 425.872 3.769 50 0 IHAARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000010214442 569579180 /nfs/dbraw/zinc/57/91/80/569579180.db2.gz VUNIUXFMGVVPIP-FQEVSTJZSA-N 0 0 449.507 3.696 50 0 IHAARN CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1 ZINC000010273852 569580275 /nfs/dbraw/zinc/58/02/75/569580275.db2.gz UUEKZYULYUPIPC-UHFFFAOYSA-N 0 0 439.581 3.604 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000010277440 569580385 /nfs/dbraw/zinc/58/03/85/569580385.db2.gz NMJNFXDYSLHTDC-DEOSSOPVSA-N 0 0 442.519 3.509 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010292879 569580546 /nfs/dbraw/zinc/58/05/46/569580546.db2.gz TUUOARPHCFZPMZ-AWEZNQCLSA-N 0 0 447.329 3.799 50 0 IHAARN CCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)C)no4)ccn3)cn2)cc1 ZINC000071768493 569580734 /nfs/dbraw/zinc/58/07/34/569580734.db2.gz MZBJGQUHFYQZKB-UHFFFAOYSA-N 0 0 432.484 3.769 50 0 IHAARN CCCCN(CCCC)c1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(N)n1 ZINC000071771632 569580824 /nfs/dbraw/zinc/58/08/24/569580824.db2.gz LJUHKDLVGACSKG-UHFFFAOYSA-N 0 0 426.970 3.960 50 0 IHAARN CCN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010353457 569581444 /nfs/dbraw/zinc/58/14/44/569581444.db2.gz SVXQKQIAANFBFE-KRWDZBQOSA-N 0 0 449.305 3.753 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCC2 ZINC000010361839 569581492 /nfs/dbraw/zinc/58/14/92/569581492.db2.gz FHHMZHQWANRFQA-UHFFFAOYSA-N 0 0 437.901 3.628 50 0 IHAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCNC(=O)c1ccccc1)OCCO3 ZINC000010365716 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IHAARN O=C(c1cccc(Br)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077158888 569585775 /nfs/dbraw/zinc/58/57/75/569585775.db2.gz AXZITQBGTKPOHA-UHFFFAOYSA-N 0 0 439.357 3.771 50 0 IHAARN COc1ccccc1Cc1noc(C2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000077191360 569585914 /nfs/dbraw/zinc/58/59/14/569585914.db2.gz MBZDLIBIWBMVHS-UHFFFAOYSA-N 0 0 446.429 3.726 50 0 IHAARN COc1ccccc1-n1nnc(C(=O)NCCc2c[nH]c3ccccc23)c1-c1ccccn1 ZINC000077199917 569586295 /nfs/dbraw/zinc/58/62/95/569586295.db2.gz IFSXALUHZCWLKB-UHFFFAOYSA-N 0 0 438.491 3.792 50 0 IHAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc(OC)c(OC)c1OC)NC3=O ZINC000078546591 569586696 /nfs/dbraw/zinc/58/66/96/569586696.db2.gz IVLLTFDODUCUTI-IBGZPJMESA-N 0 0 429.498 3.631 50 0 IHAARN CCCN(Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)C[C@H]1CCCO1 ZINC000055568830 569587247 /nfs/dbraw/zinc/58/72/47/569587247.db2.gz VWHBPMNLMXGVHD-JOCHJYFZSA-N 0 0 433.618 3.699 50 0 IHAARN CC(C)CN1C(=O)C(c2c(=O)n(-c3ccc(F)cc3)[n-]c2C(C)C)=C([n+]2ccccc2)C1=O ZINC000034793587 569587638 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ZINC000009429911 132316957 /nfs/dbraw/zinc/31/69/57/132316957.db2.gz KRCJJHLFCUIPFY-CLYVBNDRSA-N 0 0 441.531 3.918 50 0 IHAARN O=C(C1=NN(c2ccccc2)C(=O)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000009441839 132317921 /nfs/dbraw/zinc/31/79/21/132317921.db2.gz NRXANEUCBYHNIS-QGZVFWFLSA-N 0 0 434.521 3.991 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1F ZINC000009569382 132321834 /nfs/dbraw/zinc/32/18/34/132321834.db2.gz PTQFNVIYTGXLIR-UHFFFAOYSA-N 0 0 430.457 3.821 50 0 IHAARN O=C(c1ccc(Oc2ccccc2)cc1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009575502 132322142 /nfs/dbraw/zinc/32/21/42/132322142.db2.gz MDKHLDBOQPNUAJ-XMMPIXPASA-N 0 0 444.487 3.746 50 0 IHAARN O=C(c1cccn2c(=O)c3c(nc12)sc1c3CCCC1)N1CCN(c2ccccc2)CC1 ZINC000009677767 132325576 /nfs/dbraw/zinc/32/55/76/132325576.db2.gz MJGSLGOUYPGUQB-UHFFFAOYSA-N 0 0 444.560 3.750 50 0 IHAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009686153 132325812 /nfs/dbraw/zinc/32/58/12/132325812.db2.gz HNUWWHFDXVHJPG-UHFFFAOYSA-N 0 0 448.527 3.569 50 0 IHAARN COc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccccc5)CC4)csc3n2)cc1 ZINC000009713974 132327138 /nfs/dbraw/zinc/32/71/38/132327138.db2.gz KVBVEVVMVLQBTJ-UHFFFAOYSA-N 0 0 432.549 3.963 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009716655 132327251 /nfs/dbraw/zinc/32/72/51/132327251.db2.gz ZSFHBPQJWUUIJI-NRFANRHFSA-N 0 0 431.533 3.608 50 0 IHAARN Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009792354 132329173 /nfs/dbraw/zinc/32/91/73/132329173.db2.gz ANSLJNDBOHJKAX-UHFFFAOYSA-N 0 0 447.988 3.824 50 0 IHAARN CCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C)c3C)ccc21 ZINC000009838453 132329858 /nfs/dbraw/zinc/32/98/58/132329858.db2.gz KTRHZBRUFOSILD-UHFFFAOYSA-N 0 0 428.554 3.795 50 0 IHAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000009909430 132331786 /nfs/dbraw/zinc/33/17/86/132331786.db2.gz RBGWQXAVPOLZLQ-UHFFFAOYSA-N 0 0 442.523 3.670 50 0 IHAARN CCCOC(=O)c1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1N1CCOCC1 ZINC000009934583 132332055 /nfs/dbraw/zinc/33/20/55/132332055.db2.gz VBALVMGUUQWEJV-UHFFFAOYSA-N 0 0 426.513 3.724 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1 ZINC000009950956 132332753 /nfs/dbraw/zinc/33/27/53/132332753.db2.gz OQFMUINVRCNVII-UHFFFAOYSA-N 0 0 435.524 3.979 50 0 IHAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CCN(c2ncccn2)CC1 ZINC000009962722 132333014 /nfs/dbraw/zinc/33/30/14/132333014.db2.gz OXLQJSFMWNTDFV-UHFFFAOYSA-N 0 0 449.555 3.690 50 0 IHAARN Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2S1(=O)=O ZINC000010273732 132335454 /nfs/dbraw/zinc/33/54/54/132335454.db2.gz BTCBSOJYXWKRQI-UHFFFAOYSA-N 0 0 441.553 3.697 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000010838307 132336485 /nfs/dbraw/zinc/33/64/85/132336485.db2.gz UZYWNEYTLLHPOS-CYBMUJFWSA-N 0 0 443.525 3.572 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000011694001 132338604 /nfs/dbraw/zinc/33/86/04/132338604.db2.gz LHYZOLPYERRCRK-UHFFFAOYSA-N 0 0 439.324 3.554 50 0 IHAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)n1 ZINC000011697204 132338990 /nfs/dbraw/zinc/33/89/90/132338990.db2.gz XBTIPQNJIQUGNV-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN O=C(CCc1csc(NC(=O)c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000011796790 132340393 /nfs/dbraw/zinc/34/03/93/132340393.db2.gz RRCNHEHUDGJBEY-UHFFFAOYSA-N 0 0 438.528 3.816 50 0 IHAARN Cc1cc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)s1 ZINC000013147818 132345777 /nfs/dbraw/zinc/34/57/77/132345777.db2.gz VSBUZOXDIKVMMH-UHFFFAOYSA-N 0 0 428.510 3.635 50 0 IHAARN Cc1c(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013496985 132347188 /nfs/dbraw/zinc/34/71/88/132347188.db2.gz DYILJZROQOIFLX-UHFFFAOYSA-N 0 0 441.988 3.657 50 0 IHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CCSc4ccccc4)CC3)nn2)cc1 ZINC000013657727 132352444 /nfs/dbraw/zinc/35/24/44/132352444.db2.gz VMWOBDSOUGTTCX-UHFFFAOYSA-N 0 0 434.565 3.983 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 ZINC000013663863 132352736 /nfs/dbraw/zinc/35/27/36/132352736.db2.gz QRJYMNGMBHVBMX-UHFFFAOYSA-N 0 0 428.945 3.616 50 0 IHAARN c1ccc(NN=c2nn[nH]c3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000013756428 132354386 /nfs/dbraw/zinc/35/43/86/132354386.db2.gz NSNYACPNCZWHDY-UHFFFAOYSA-N 0 0 433.541 3.789 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000014198690 132356765 /nfs/dbraw/zinc/35/67/65/132356765.db2.gz NSUGYCBOFXCDIR-UHFFFAOYSA-N 0 0 449.370 3.827 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c1C ZINC000022261875 518223212 /nfs/dbraw/zinc/22/32/12/518223212.db2.gz XICRQZLYRAYSCO-UHFFFAOYSA-N 0 0 439.419 3.683 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H](c1ccccc1)N1Cc3ccccc3C1=O)OCO2 ZINC000020531062 518294488 /nfs/dbraw/zinc/29/44/88/518294488.db2.gz JXNDOBUWHUTACF-HSZRJFAPSA-N 0 0 428.444 3.954 50 0 IHAARN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000032971489 518357916 /nfs/dbraw/zinc/35/79/16/518357916.db2.gz YTYRXEFHHQCSEZ-UHFFFAOYSA-N 0 0 432.480 3.739 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000012678464 518400657 /nfs/dbraw/zinc/40/06/57/518400657.db2.gz NXUCDMKCKFKKPC-HXUWFJFHSA-N 0 0 446.594 3.643 50 0 IHAARN CC(C)(C)c1cc(NC(=O)Cc2cccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022503503 519004269 /nfs/dbraw/zinc/00/42/69/519004269.db2.gz RFVZWFZWGHQAEJ-GOSISDBHSA-N 0 0 425.554 3.875 50 0 IHAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000036759044 519392542 /nfs/dbraw/zinc/39/25/42/519392542.db2.gz XZUJHNPTIALILP-SFHVURJKSA-N 0 0 447.326 3.752 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1 ZINC000035531115 519440964 /nfs/dbraw/zinc/44/09/64/519440964.db2.gz TVJIMQMEOIWSOL-UHFFFAOYSA-N 0 0 428.598 3.992 50 0 IHAARN CC(C)Cn1c(-c2ccc(Br)cc2)cnc1Sc1ccc2nnnn2n1 ZINC000012534906 519480550 /nfs/dbraw/zinc/48/05/50/519480550.db2.gz KTLJOWQRUVFJJP-UHFFFAOYSA-N 0 0 430.335 3.953 50 0 IHAARN CC(C)Cn1c(CN(CC2CC2)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030151 519485711 /nfs/dbraw/zinc/48/57/11/519485711.db2.gz BJNVCPBNOWKWKV-UHFFFAOYSA-N 0 0 431.602 3.908 50 0 IHAARN CC(=O)N1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)CC1 ZINC000035503987 519584093 /nfs/dbraw/zinc/58/40/93/519584093.db2.gz CYPYKMBACRDNPI-SANMLTNESA-N 0 0 440.547 3.682 50 0 IHAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3)ccc21 ZINC000035514550 519629911 /nfs/dbraw/zinc/62/99/11/519629911.db2.gz UYSUPWXCFNQARL-UHFFFAOYSA-N 0 0 426.520 3.620 50 0 IHAARN CC(=O)N1N=C(c2cccc(NC(=O)c3ccccc3)c2)O[C@H]1c1ccc2c(c1)OCO2 ZINC000021091050 519638599 /nfs/dbraw/zinc/63/85/99/519638599.db2.gz YUGWSKBLLRAOFZ-DEOSSOPVSA-N 0 0 429.432 3.907 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2ccccc2C)S1 ZINC000020896270 519643121 /nfs/dbraw/zinc/64/31/21/519643121.db2.gz AGWMFBONTROOSC-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3ccc(C)c(C)c3)c2)S1 ZINC000020896462 519643449 /nfs/dbraw/zinc/64/34/49/519643449.db2.gz AUPFRDUXQIQWND-OAQYLSRUSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCCOc3cccc(C)c3)c2)S1 ZINC000020896544 519643526 /nfs/dbraw/zinc/64/35/26/519643526.db2.gz SSPHGQMFBZCBPQ-NRFANRHFSA-N 0 0 427.526 3.844 50 0 IHAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012861055 519668151 /nfs/dbraw/zinc/66/81/51/519668151.db2.gz LNAVKDWLKRQREV-JOCHJYFZSA-N 0 0 429.423 3.614 50 0 IHAARN CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2)o1 ZINC000035681619 519675391 /nfs/dbraw/zinc/67/53/91/519675391.db2.gz QRKJPNZWKDLKDT-UHFFFAOYSA-N 0 0 447.516 3.898 50 0 IHAARN CC(=O)Nc1cc(C(=O)N(C)Cc2cccs2)cc2ncn(CCc3ccccn3)c21 ZINC000012245284 519703162 /nfs/dbraw/zinc/70/31/62/519703162.db2.gz IADHWJWVUOUSOV-UHFFFAOYSA-N 0 0 433.537 3.966 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1 ZINC000035537404 519708676 /nfs/dbraw/zinc/70/86/76/519708676.db2.gz FOXDPDKKOWXUKP-UHFFFAOYSA-N 0 0 434.496 3.788 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000035553242 519709767 /nfs/dbraw/zinc/70/97/67/519709767.db2.gz SPBQQZJAHAFNFR-UHFFFAOYSA-N 0 0 445.523 3.925 50 0 IHAARN CC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)c1 ZINC000021657316 519741143 /nfs/dbraw/zinc/74/11/43/519741143.db2.gz HUZCKQUIQHMWLW-LBPRGKRZSA-N 0 0 434.265 3.538 50 0 IHAARN CC(C)OCCCN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000012879454 519762686 /nfs/dbraw/zinc/76/26/86/519762686.db2.gz QXQCUMLJMJMYMO-QHCPKHFHSA-N 0 0 435.524 3.531 50 0 IHAARN CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000012865271 519788312 /nfs/dbraw/zinc/78/83/12/519788312.db2.gz RUQOKCUCRXBOCR-KRWDZBQOSA-N 0 0 434.583 3.897 50 0 IHAARN CC(C)[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000020577612 519801792 /nfs/dbraw/zinc/80/17/92/519801792.db2.gz MWXMWHXFDBTRDD-FQEVSTJZSA-N 0 0 433.961 3.543 50 0 IHAARN CC(C)[C@](C)(CC(=O)N1CCOCC1)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000012784233 519829152 /nfs/dbraw/zinc/82/91/52/519829152.db2.gz SEXUULRDDDOMFY-VWLOTQADSA-N 0 0 441.499 3.873 50 0 IHAARN CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000035588168 519854979 /nfs/dbraw/zinc/85/49/79/519854979.db2.gz VTZSYXVVWCOVMW-UHFFFAOYSA-N 0 0 429.586 3.637 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3cccc(NC(=O)C(C)(C)C)c3)cc2=O)s1 ZINC000015771530 519883862 /nfs/dbraw/zinc/88/38/62/519883862.db2.gz BNWJXWVTRZESHQ-UHFFFAOYSA-N 0 0 428.514 3.616 50 0 IHAARN CC(C)n1cnc2nc(COc3ccccc3NC(=O)Nc3cccc(F)c3)cc(=O)n21 ZINC000021800837 520051678 /nfs/dbraw/zinc/05/16/78/520051678.db2.gz CWWIZIQFOKLOPS-UHFFFAOYSA-N 0 0 436.447 3.834 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000017275609 520078936 /nfs/dbraw/zinc/07/89/36/520078936.db2.gz VSXDKYPURAPALX-UHFFFAOYSA-N 0 0 444.499 3.757 50 0 IHAARN CCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000020677664 520086243 /nfs/dbraw/zinc/08/62/43/520086243.db2.gz NCGOCGGYTPKCCW-OAQYLSRUSA-N 0 0 436.549 3.941 50 0 IHAARN CC1(C)CC(=O)c2cc(C(=O)NCC(=O)c3ccccc3)c(=O)n(-c3ccc(F)cc3)c2C1 ZINC000012402460 520274975 /nfs/dbraw/zinc/27/49/75/520274975.db2.gz SXDNSACFBRSANT-UHFFFAOYSA-N 0 0 446.478 3.744 50 0 IHAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000012601845 520322292 /nfs/dbraw/zinc/32/22/92/520322292.db2.gz HZGHOWXRVZUGLU-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)NCCSCc1ccccc1 ZINC000012569517 520360013 /nfs/dbraw/zinc/36/00/13/520360013.db2.gz GXDQCMDCNDAPHU-UHFFFAOYSA-N 0 0 428.558 3.548 50 0 IHAARN CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C12CCCC2 ZINC000078935357 520411794 /nfs/dbraw/zinc/41/17/94/520411794.db2.gz JPDWODODRVNLSH-JKSUJKDBSA-N 0 0 439.482 3.547 50 0 IHAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000012734423 520437192 /nfs/dbraw/zinc/43/71/92/520437192.db2.gz HPBMRNSAEIGWIX-UHFFFAOYSA-N 0 0 426.538 3.809 50 0 IHAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000012138182 520443138 /nfs/dbraw/zinc/44/31/38/520443138.db2.gz PUQQGLAPZFANRU-SFHVURJKSA-N 0 0 441.553 3.511 50 0 IHAARN CCOC(=O)C1(CCOc2ccccc2)CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012200648 520459790 /nfs/dbraw/zinc/45/97/90/520459790.db2.gz WEWQRFKDMHVISN-UHFFFAOYSA-N 0 0 435.517 3.629 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012704072 520462875 /nfs/dbraw/zinc/46/28/75/520462875.db2.gz JSQZYNRVARASAF-UHFFFAOYSA-N 0 0 431.554 3.580 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000012748002 520463230 /nfs/dbraw/zinc/46/32/30/520463230.db2.gz JYBDBDIAORQVFA-LJQANCHMSA-N 0 0 432.517 3.610 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000012054196 520463799 /nfs/dbraw/zinc/46/37/99/520463799.db2.gz YOWCMSYHRJVTRK-QGZVFWFLSA-N 0 0 432.517 3.610 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(C)c2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350029 520474559 /nfs/dbraw/zinc/47/45/59/520474559.db2.gz FFKXAQOXTOWMDH-HSZRJFAPSA-N 0 0 445.523 3.780 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(C)c2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350034 520475666 /nfs/dbraw/zinc/47/56/66/520475666.db2.gz FFKXAQOXTOWMDH-QHCPKHFHSA-N 0 0 445.523 3.780 50 0 IHAARN CCN(CC)C(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CN(Cc1ccccc1)CC2 ZINC000035456414 520501067 /nfs/dbraw/zinc/50/10/67/520501067.db2.gz IZFBZNMXRQIBSO-UHFFFAOYSA-N 0 0 444.579 3.645 50 0 IHAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000000724940 520506843 /nfs/dbraw/zinc/50/68/43/520506843.db2.gz KIVRKBVONIJYMX-OAQYLSRUSA-N 0 0 438.459 3.857 50 0 IHAARN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559097 520511198 /nfs/dbraw/zinc/51/11/98/520511198.db2.gz HXIQUBYDRKFUJW-QFIPXVFZSA-N 0 0 439.581 3.874 50 0 IHAARN CCN(CC)C(=O)[C@H]1CCCN(c2nc3ccc(C)cc3c3nnc(-c4ccco4)n32)C1 ZINC000034699652 520540393 /nfs/dbraw/zinc/54/03/93/520540393.db2.gz QIEOUPIVSCFZRY-KRWDZBQOSA-N 0 0 432.528 3.931 50 0 IHAARN CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)CC(C)C)CC1 ZINC000036005800 520545581 /nfs/dbraw/zinc/54/55/81/520545581.db2.gz VSSUZRAKPZZZMB-UHFFFAOYSA-N 0 0 442.604 3.602 50 0 IHAARN CCCSCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021861954 520565259 /nfs/dbraw/zinc/56/52/59/520565259.db2.gz MJOQDKZUEMQDDL-HSZRJFAPSA-N 0 0 428.602 3.843 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc2)CC1 ZINC000021717286 520568628 /nfs/dbraw/zinc/56/86/28/520568628.db2.gz CFJZNCBCRIVEIQ-UHFFFAOYSA-N 0 0 437.540 3.751 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)CC1 ZINC000020280090 520574840 /nfs/dbraw/zinc/57/48/40/520574840.db2.gz JWDJEOGRIGFBDD-UHFFFAOYSA-N 0 0 427.526 3.795 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000036045638 520664497 /nfs/dbraw/zinc/66/44/97/520664497.db2.gz ZWCCXAPSCNYRRC-VQTJNVASSA-N 0 0 428.504 3.615 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc(Br)c1OC ZINC000021970282 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ZINC000036017507 520967448 /nfs/dbraw/zinc/96/74/48/520967448.db2.gz UTQZMRIOVVKMAA-UARVQCNDSA-N 0 0 441.355 3.600 50 0 IHAARN CC1CCN(c2nc3ncnc(SCC(=O)NCc4ccc(F)cc4)c3s2)CC1 ZINC000035533350 521047953 /nfs/dbraw/zinc/04/79/53/521047953.db2.gz HPZBMUMPDNNJCV-UHFFFAOYSA-N 0 0 431.562 3.870 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)Nc3cccc(F)c3)n2C[C@H]2CCCO2)CC1 ZINC000012922720 521050072 /nfs/dbraw/zinc/05/00/72/521050072.db2.gz OXSLRUFUVBTAOK-GOSISDBHSA-N 0 0 433.553 3.563 50 0 IHAARN CCOc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000012803003 521055692 /nfs/dbraw/zinc/05/56/92/521055692.db2.gz BSUSXEUTDLISCM-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000012787489 521077477 /nfs/dbraw/zinc/07/74/77/521077477.db2.gz KVZMAHMNZDCGRV-QHCPKHFHSA-N 0 0 439.487 3.600 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000035948818 521087261 /nfs/dbraw/zinc/08/72/61/521087261.db2.gz NOJMTGVDXJHALK-OAQYLSRUSA-N 0 0 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521195118 /nfs/dbraw/zinc/19/51/18/521195118.db2.gz VGZMMUHRUZHULF-HSZRJFAPSA-N 0 0 430.570 3.501 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 ZINC000035596936 521195160 /nfs/dbraw/zinc/19/51/60/521195160.db2.gz LTWYPOVMRZUALZ-QGZVFWFLSA-N 0 0 445.516 3.767 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000022605924 521196528 /nfs/dbraw/zinc/19/65/28/521196528.db2.gz ZFTKNIJTRMARIL-UHFFFAOYSA-N 0 0 449.623 3.777 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)c(C)c1 ZINC000012180389 521217097 /nfs/dbraw/zinc/21/70/97/521217097.db2.gz AOQNCSHCLFKXBY-UHFFFAOYSA-N 0 0 429.542 3.834 50 0 IHAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(OC)cc3)N2C1=O ZINC000021643794 521251995 /nfs/dbraw/zinc/25/19/95/521251995.db2.gz GOYCTBGLRSURCH-LJQANCHMSA-N 0 0 436.537 3.503 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)N2CCOCC2)cc1OC ZINC000012801784 521262732 /nfs/dbraw/zinc/26/27/32/521262732.db2.gz GJAPGPOCMOIJBF-IBGZPJMESA-N 0 0 436.911 3.690 50 0 IHAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1OC ZINC000021523786 521275579 /nfs/dbraw/zinc/27/55/79/521275579.db2.gz CPTWACCQYJEBJY-HXUWFJFHSA-N 0 0 439.541 3.770 50 0 IHAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1 ZINC000022574383 521310783 /nfs/dbraw/zinc/31/07/83/521310783.db2.gz ANZMYZLXYDTHQV-UHFFFAOYSA-N 0 0 445.972 3.872 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000032932576 521333117 /nfs/dbraw/zinc/33/31/17/521333117.db2.gz UEAXYWORWCSDIQ-KRWDZBQOSA-N 0 0 427.476 3.847 50 0 IHAARN CCOc1cccc(CN2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c1 ZINC000021039884 521346007 /nfs/dbraw/zinc/34/60/07/521346007.db2.gz CPSAFEUCCZEMGQ-UHFFFAOYSA-N 0 0 447.558 3.899 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccccn2)C(=O)c2cccc(OC)c2)c1C ZINC000036002259 521360647 /nfs/dbraw/zinc/36/06/47/521360647.db2.gz YJTGHXREOBVZKY-UHFFFAOYSA-N 0 0 449.507 3.737 50 0 IHAARN CCCCn1c(CN2CCC([C@H](O)CC)CC2)cnc1S(=O)(=O)CCCC(C)C ZINC000012201158 521361527 /nfs/dbraw/zinc/36/15/27/521361527.db2.gz AATNAKRFVPGDMM-OAQYLSRUSA-N 0 0 427.655 3.876 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccncc2)C(=O)c2cccs2)c1C ZINC000035992677 521362423 /nfs/dbraw/zinc/36/24/23/521362423.db2.gz VYXZKBCGTGVVCO-UHFFFAOYSA-N 0 0 425.510 3.790 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2ccc(OC)cc2)c1C ZINC000036002265 521363462 /nfs/dbraw/zinc/36/34/62/521363462.db2.gz JJZVZEIGRBNMLE-UHFFFAOYSA-N 0 0 449.507 3.737 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000012568142 521369895 /nfs/dbraw/zinc/36/98/95/521369895.db2.gz YQMYTPAAHONPJE-OAHLLOKOSA-N 0 0 448.541 3.707 50 0 IHAARN CCCCn1c2nnc(CCC(=O)NC[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000035528752 521377327 /nfs/dbraw/zinc/37/73/27/521377327.db2.gz UTFIMJIELKZCLB-MRXNPFEDSA-N 0 0 437.569 3.758 50 0 IHAARN CCCCn1c2nnc(SCC(=O)NCc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000035531938 521380398 /nfs/dbraw/zinc/38/03/98/521380398.db2.gz PBZZFSOQYROEGA-UHFFFAOYSA-N 0 0 441.582 3.623 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(CCCOC)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000035989568 521386457 /nfs/dbraw/zinc/38/64/57/521386457.db2.gz BKZPVGFVBOMKQY-UHFFFAOYSA-N 0 0 448.947 3.834 50 0 IHAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1cn2c(cccc2C)n1 ZINC000021367868 521403918 /nfs/dbraw/zinc/40/39/18/521403918.db2.gz ZNEXSEDJCXOQDK-UHFFFAOYSA-N 0 0 429.498 3.547 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000012700149 521406860 /nfs/dbraw/zinc/40/68/60/521406860.db2.gz JFHUPTSDGMUKII-UHFFFAOYSA-N 0 0 437.565 3.577 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(Cl)c1-c1ccc(C)cc1 ZINC000022036983 521408681 /nfs/dbraw/zinc/40/86/81/521408681.db2.gz BDHQUDOOGTZEJK-UHFFFAOYSA-N 0 0 435.977 3.740 50 0 IHAARN CCOc1cccc2cc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)oc21 ZINC000022906491 521433966 /nfs/dbraw/zinc/43/39/66/521433966.db2.gz BNJHIVBEEHYKGN-UHFFFAOYSA-N 0 0 427.438 3.537 50 0 IHAARN CCOC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 ZINC000012407484 521461382 /nfs/dbraw/zinc/46/13/82/521461382.db2.gz YGLKDPFIHNGELF-UHFFFAOYSA-N 0 0 425.448 3.581 50 0 IHAARN CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1 ZINC000012410893 521471814 /nfs/dbraw/zinc/47/18/14/521471814.db2.gz KRDNXKOJSIESRR-UHFFFAOYSA-N 0 0 442.516 3.515 50 0 IHAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000021871150 521490759 /nfs/dbraw/zinc/49/07/59/521490759.db2.gz IUHCOLYBHGCTMK-MRXNPFEDSA-N 0 0 428.554 3.988 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2CC)cc1 ZINC000017102588 521499302 /nfs/dbraw/zinc/49/93/02/521499302.db2.gz GGFUEDWLVBVFBS-UHFFFAOYSA-N 0 0 438.553 3.991 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2n[nH]c(-c3ccncc3)n2)nc1 ZINC000012590877 521500199 /nfs/dbraw/zinc/50/01/99/521500199.db2.gz WCLKYQQDNGZCHY-UHFFFAOYSA-N 0 0 438.538 3.628 50 0 IHAARN CCOC(=O)c1ccc(OC[C@@H](O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000012898586 521523519 /nfs/dbraw/zinc/52/35/19/521523519.db2.gz XMJRVYPPKJCPCU-KRWDZBQOSA-N 0 0 442.471 3.864 50 0 IHAARN CCOC(=O)c1ccc2[nH]c(CSc3n[nH]c(-c4ccc(OC)cc4)n3)cc(=O)c2c1 ZINC000021098961 521531049 /nfs/dbraw/zinc/53/10/49/521531049.db2.gz GKWLUFYBLUDQBW-UHFFFAOYSA-N 0 0 436.493 3.791 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000012799279 521539510 /nfs/dbraw/zinc/53/95/10/521539510.db2.gz FVLQNWQPXASTHE-QFIPXVFZSA-N 0 0 446.334 3.951 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035925389 521541179 /nfs/dbraw/zinc/54/11/79/521541179.db2.gz VDJYPHWYRJBWFQ-UHFFFAOYSA-N 0 0 444.514 3.870 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035925417 521542700 /nfs/dbraw/zinc/54/27/00/521542700.db2.gz UFOKMQKPXYJZIJ-UHFFFAOYSA-N 0 0 444.514 3.870 50 0 IHAARN CCCc1nc2oc3c(ncnc3NCCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020503971 521544187 /nfs/dbraw/zinc/54/41/87/521544187.db2.gz UVQKXLGPVZXEOS-UHFFFAOYSA-N 0 0 439.560 3.709 50 0 IHAARN CCCn1c2ccccc2n(CCC(=O)N2CCN(c3ccccc3Cl)CC2)c1=O ZINC000016199719 521638442 /nfs/dbraw/zinc/63/84/42/521638442.db2.gz VFWSOFQEHSCQDH-UHFFFAOYSA-N 0 0 426.948 3.605 50 0 IHAARN CCN1CCN(C(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)CC1 ZINC000020939569 521669546 /nfs/dbraw/zinc/66/95/46/521669546.db2.gz DVXAUTLFEJSDTR-UHFFFAOYSA-N 0 0 439.585 3.620 50 0 IHAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(CC)cc1 ZINC000012883973 521694065 /nfs/dbraw/zinc/69/40/65/521694065.db2.gz JVEMXVMIDQKCAX-GOSISDBHSA-N 0 0 429.948 3.791 50 0 IHAARN CCOCCCN(C(=O)c1ccc(OC)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004176 521703939 /nfs/dbraw/zinc/70/39/39/521703939.db2.gz LDTJMHXEDBJZAH-QGZVFWFLSA-N 0 0 444.528 3.567 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)c1ccc(Cl)cc1 ZINC000036000905 521704591 /nfs/dbraw/zinc/70/45/91/521704591.db2.gz CMDCGUPDCZQIEV-UHFFFAOYSA-N 0 0 434.920 3.823 50 0 IHAARN CCN1c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242972 521730087 /nfs/dbraw/zinc/73/00/87/521730087.db2.gz 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COC(=O)c1cc(CNC(=O)c2cn3ccsc3n2)cc(NC(=O)C2CCCCC2)c1 ZINC000012242565 521854312 /nfs/dbraw/zinc/85/43/12/521854312.db2.gz LCUIHDLIZMFDIZ-UHFFFAOYSA-N 0 0 440.525 3.631 50 0 IHAARN CCc1ccccc1NC(=O)CN1C(=O)C(C)=C(c2ccc(C(C)C)cc2)S1(=O)=O ZINC000021913004 521866550 /nfs/dbraw/zinc/86/65/50/521866550.db2.gz ZZYNJYRXOOYJET-UHFFFAOYSA-N 0 0 426.538 3.914 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cc(C)n(C3CC3)c2C)CC1 ZINC000057290203 521870307 /nfs/dbraw/zinc/87/03/07/521870307.db2.gz OBUFVJZEQCCKRU-FMIVXFBMSA-N 0 0 434.584 3.798 50 0 IHAARN CCc1ccccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995583 521879524 /nfs/dbraw/zinc/87/95/24/521879524.db2.gz RNMNDKCAWKBXHO-MRXNPFEDSA-N 0 0 440.565 3.739 50 0 IHAARN COc1cc(-c2noc(CCn3nc(-c4ccccc4)ccc3=O)n2)ccc1OC(C)C ZINC000033309624 521914486 /nfs/dbraw/zinc/91/44/86/521914486.db2.gz SKVJAOXHNCNERL-UHFFFAOYSA-N 0 0 432.480 3.999 50 0 IHAARN COc1cc(/C=C/C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)ccc1OCC(N)=O ZINC000012902507 521937830 /nfs/dbraw/zinc/93/78/30/521937830.db2.gz IKEIHOIBRLEHHR-YCRREMRBSA-N 0 0 442.855 3.624 50 0 IHAARN COC(=O)c1ccc(C)cc1NC(=O)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000035534438 521989519 /nfs/dbraw/zinc/98/95/19/521989519.db2.gz UHCDCOJMVUKQHR-UHFFFAOYSA-N 0 0 442.903 3.926 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1 ZINC000012822823 521995087 /nfs/dbraw/zinc/99/50/87/521995087.db2.gz NIRFLEIZUDMKOG-UHFFFAOYSA-N 0 0 445.444 3.698 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC000012581504 521998298 /nfs/dbraw/zinc/99/82/98/521998298.db2.gz RCFABNMLXDLDKB-UHFFFAOYSA-N 0 0 428.583 3.746 50 0 IHAARN COCCn1c(CN(C(=O)CC(C)(C)C)C(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030294 522065667 /nfs/dbraw/zinc/06/56/67/522065667.db2.gz QHBFBGUEWPDKMQ-UHFFFAOYSA-N 0 0 449.617 3.677 50 0 IHAARN COCCn1c(SCc2ccccc2C)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000012415109 522072571 /nfs/dbraw/zinc/07/25/71/522072571.db2.gz IKPTWPMTENPVLF-UHFFFAOYSA-N 0 0 425.554 3.782 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CN(Cc1ccccc1)CC2 ZINC000035456407 522172808 /nfs/dbraw/zinc/17/28/08/522172808.db2.gz TVSSFZMBWNCQBV-HXUWFJFHSA-N 0 0 444.579 3.692 50 0 IHAARN COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)N[C@H](C)c4ccccc4)sc(=S)n3c2c1 ZINC000002956436 522179387 /nfs/dbraw/zinc/17/93/87/522179387.db2.gz RVCQNMUHWFUKDE-LLVKDONJSA-N 0 0 439.518 3.849 50 0 IHAARN COc1cc(C)c(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1OC ZINC000012609532 522215225 /nfs/dbraw/zinc/21/52/25/522215225.db2.gz PPICYHPYQFSMAR-UHFFFAOYSA-N 0 0 435.406 3.662 50 0 IHAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000012821095 522272690 /nfs/dbraw/zinc/27/26/90/522272690.db2.gz ONTXOIPSIPUSCP-HGZMWJMZSA-N 0 0 427.551 3.581 50 0 IHAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1 ZINC000012737118 522286121 /nfs/dbraw/zinc/28/61/21/522286121.db2.gz NNOKFWGSUSZNTN-XSHKEIFESA-N 0 0 446.572 3.930 50 0 IHAARN COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)cc(OC)c1O ZINC000012469016 522405245 /nfs/dbraw/zinc/40/52/45/522405245.db2.gz ZMEAXXJODSYZGB-QFIPXVFZSA-N 0 0 432.520 3.653 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000035990668 522467734 /nfs/dbraw/zinc/46/77/34/522467734.db2.gz LOQDRNBFJQMNPD-UHFFFAOYSA-N 0 0 438.963 3.870 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000035990391 522467975 /nfs/dbraw/zinc/46/79/75/522467975.db2.gz UELGPAUMTVCIOZ-UHFFFAOYSA-N 0 0 441.967 3.580 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000035990243 522468423 /nfs/dbraw/zinc/46/84/23/522468423.db2.gz GMYJNMUGAHHZCY-UHFFFAOYSA-N 0 0 432.553 3.710 50 0 IHAARN CN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012854293 522482978 /nfs/dbraw/zinc/48/29/78/522482978.db2.gz QIHFXGAGZJAPTR-UHFFFAOYSA-N 0 0 431.817 3.685 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCNC(=O)c1ccccc1 ZINC000012780703 522503201 /nfs/dbraw/zinc/50/32/01/522503201.db2.gz QOPKCUKBEQPGEQ-UHFFFAOYSA-N 0 0 441.837 3.576 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)NCC3C4CC5CC(C4)CC3C5)CCC(=O)N2)ccc1F ZINC000012097234 522504280 /nfs/dbraw/zinc/50/42/80/522504280.db2.gz UPPMGDDNBCAREW-XQWBPKANSA-N 0 0 442.575 3.994 50 0 IHAARN CC[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 ZINC000012767834 522531314 /nfs/dbraw/zinc/53/13/14/522531314.db2.gz GEFSZRXQUJHDKX-SFHVURJKSA-N 0 0 429.314 3.979 50 0 IHAARN CCc1nc2sc(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)c(C)c2c(C)n1 ZINC000012909087 522535763 /nfs/dbraw/zinc/53/57/63/522535763.db2.gz FYFNOAUMUZMVMC-UHFFFAOYSA-N 0 0 442.560 3.976 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)ccc1N1CCCC1=O ZINC000012763255 522725373 /nfs/dbraw/zinc/72/53/73/522725373.db2.gz UYOZMAFHBYPAQO-UHFFFAOYSA-N 0 0 446.507 3.511 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)Nc1ccccc1 ZINC000022616313 522727707 /nfs/dbraw/zinc/72/77/07/522727707.db2.gz WKAMBBCLXKASQE-UHFFFAOYSA-N 0 0 448.479 3.716 50 0 IHAARN CCc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000012429979 522782623 /nfs/dbraw/zinc/78/26/23/522782623.db2.gz DJNZOFDSZKQYOZ-INIZCTEOSA-N 0 0 429.521 3.879 50 0 IHAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N(C)Cc2ccsc2)c1 ZINC000012246340 522783454 /nfs/dbraw/zinc/78/34/54/522783454.db2.gz XXTQQRXXHNVPLU-UHFFFAOYSA-N 0 0 449.536 3.554 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)c1 ZINC000012223798 522849096 /nfs/dbraw/zinc/84/90/96/522849096.db2.gz JYXNWVCGXOCCGK-UHFFFAOYSA-N 0 0 434.496 3.557 50 0 IHAARN CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1 ZINC000012404088 522871813 /nfs/dbraw/zinc/87/18/13/522871813.db2.gz WWIGNBPJZHTHOD-OIBXWCBGSA-N 0 0 426.557 3.939 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)cc2)c2nccn2C)c1 ZINC000012550210 522877624 /nfs/dbraw/zinc/87/76/24/522877624.db2.gz OYXJYWPFBKDYFN-GOSISDBHSA-N 0 0 430.302 3.719 50 0 IHAARN COCc1c(C(=O)N(C)Cc2cccc(OC)c2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012457403 522897136 /nfs/dbraw/zinc/89/71/36/522897136.db2.gz DDHLCFZHOHTKFC-UHFFFAOYSA-N 0 0 449.536 3.818 50 0 IHAARN COCc1c(C(=O)N(C)C[C@H](O)c2ccccc2)c(=O)cc(C)n1CCCc1ccccc1 ZINC000011841548 522897209 /nfs/dbraw/zinc/89/72/09/522897209.db2.gz MZFFTLWPQWIRJQ-VWLOTQADSA-N 0 0 448.563 3.742 50 0 IHAARN COc1cc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000012361779 522937914 /nfs/dbraw/zinc/93/79/14/522937914.db2.gz CQJJLXRZEWWVSS-JOCHJYFZSA-N 0 0 442.537 3.616 50 0 IHAARN COc1cc2[nH]c3c(ncn(CCC(=O)Nc4cccc(SC)c4)c3=O)c2cc1OC ZINC000035424105 522987593 /nfs/dbraw/zinc/98/75/93/522987593.db2.gz JBSDJODVKOPBCW-UHFFFAOYSA-N 0 0 438.509 3.646 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1c(C)nn(C)c1C)CC2 ZINC000035361568 523043902 /nfs/dbraw/zinc/04/39/02/523043902.db2.gz LCXHZVNFKMPWBH-QHCPKHFHSA-N 0 0 440.569 3.702 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1=O ZINC000034692941 523103434 /nfs/dbraw/zinc/10/34/34/523103434.db2.gz LEXCMUIWWVBSBZ-UHFFFAOYSA-N 0 0 428.414 3.744 50 0 IHAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2n[nH]c4c2CCC4)C3)cc1OC ZINC000012246242 523118471 /nfs/dbraw/zinc/11/84/71/523118471.db2.gz ZUSIXQQLJMVLDN-UHFFFAOYSA-N 0 0 449.507 3.626 50 0 IHAARN CCn1c(C)c(C(=O)[C@H](C)N(C2CC2)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036025793 523122575 /nfs/dbraw/zinc/12/25/75/523122575.db2.gz WGSYTMMZGVLEHG-KRWDZBQOSA-N 0 0 446.569 3.644 50 0 IHAARN CC[C@@H](c1nnc(SCc2nnnn2-c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000012880079 523131047 /nfs/dbraw/zinc/13/10/47/523131047.db2.gz NXTVVUXXVYJXLW-IBGZPJMESA-N 0 0 434.573 3.607 50 0 IHAARN COc1ccc(-c2ccc(SCC(=O)Nc3cccc(NC(C)=O)c3)nn2)cc1OC ZINC000012140447 523137547 /nfs/dbraw/zinc/13/75/47/523137547.db2.gz IRAIIBQPYGOBLV-UHFFFAOYSA-N 0 0 438.509 3.850 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(C)c3)n2)cc1 ZINC000015670171 523156378 /nfs/dbraw/zinc/15/63/78/523156378.db2.gz UDUHSIPYSFCVTI-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000012807597 523188534 /nfs/dbraw/zinc/18/85/34/523188534.db2.gz UNKOPNFFUOYNEQ-HNNXBMFYSA-N 0 0 433.553 3.767 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCc4c(sc5ncnc(N)c45)C3)cs2)cc1 ZINC000012606634 523196971 /nfs/dbraw/zinc/19/69/71/523196971.db2.gz RCVFZYGCXQVBQS-UHFFFAOYSA-N 0 0 437.550 3.533 50 0 IHAARN CCn1c(CSc2nnc(C3CC3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012582501 523200898 /nfs/dbraw/zinc/20/08/98/523200898.db2.gz JVAVHDCWDJIQQL-UHFFFAOYSA-N 0 0 447.586 3.784 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)sc2C)cc1 ZINC000012853533 523220583 /nfs/dbraw/zinc/22/05/83/523220583.db2.gz DDIFSHZBTWULFD-UHFFFAOYSA-N 0 0 442.541 3.710 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)[C@H](C)Oc4cccc(C)c4)nn32)cc1OC ZINC000041108747 523269932 /nfs/dbraw/zinc/26/99/32/523269932.db2.gz WVSAWRJFZRHGMC-ZDUSSCGKSA-N 0 0 439.497 3.584 50 0 IHAARN COc1ccc(-c2noc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000020515965 523282241 /nfs/dbraw/zinc/28/22/41/523282241.db2.gz XVXONXICVJFVKB-UHFFFAOYSA-N 0 0 446.429 3.655 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3Br)n2)cc1OC ZINC000012654461 523284131 /nfs/dbraw/zinc/28/41/31/523284131.db2.gz AMCQOOPCVJOAIU-UHFFFAOYSA-N 0 0 432.274 3.789 50 0 IHAARN CN(Cc1ccc2nsnc2c1)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000012199988 523285857 /nfs/dbraw/zinc/28/58/57/523285857.db2.gz HBHDZGQDAOCDIT-UHFFFAOYSA-N 0 0 432.509 3.738 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)Nc3c4ccccc4nc4c3CCCC4)cc2C1=O ZINC000012545149 523294455 /nfs/dbraw/zinc/29/44/55/523294455.db2.gz LYFQSOWEHFKGRO-UHFFFAOYSA-N 0 0 443.503 3.998 50 0 IHAARN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012912490 523300205 /nfs/dbraw/zinc/30/02/05/523300205.db2.gz MTSTYDCQXGVNJO-UHFFFAOYSA-N 0 0 447.000 3.888 50 0 IHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012931857 523304552 /nfs/dbraw/zinc/30/45/52/523304552.db2.gz IERBVVUDMVUGAJ-UHFFFAOYSA-N 0 0 434.323 3.509 50 0 IHAARN CN(Cc1cccc2cnccc21)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000012595166 523320057 /nfs/dbraw/zinc/32/00/57/523320057.db2.gz ZFGTUDYGCZEQLK-UHFFFAOYSA-N 0 0 430.464 3.529 50 0 IHAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1 ZINC000012372758 523333733 /nfs/dbraw/zinc/33/37/33/523333733.db2.gz QZZUJSWAJUSWOW-LJQANCHMSA-N 0 0 438.450 3.715 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1 ZINC000020892749 523345546 /nfs/dbraw/zinc/34/55/46/523345546.db2.gz YRKXEWKQDBGLKM-OAQYLSRUSA-N 0 0 441.509 3.687 50 0 IHAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1 ZINC000020564510 523348371 /nfs/dbraw/zinc/34/83/71/523348371.db2.gz HJXULOBBYSZRMU-GOSISDBHSA-N 0 0 448.571 3.716 50 0 IHAARN CCn1cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000020981528 523488593 /nfs/dbraw/zinc/48/85/93/523488593.db2.gz FWBBEGMHTLWODU-UHFFFAOYSA-N 0 0 439.585 3.511 50 0 IHAARN COCCCn1c(CN(C)Cc2sccc2C)cnc1S(=O)(=O)C1CCCC1 ZINC000012300608 523499495 /nfs/dbraw/zinc/49/94/95/523499495.db2.gz WLPOPIKMDKQEES-UHFFFAOYSA-N 0 0 425.620 3.638 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012584667 523506975 /nfs/dbraw/zinc/50/69/75/523506975.db2.gz HOMZWJSOGWAGMQ-UHFFFAOYSA-N 0 0 446.532 3.945 50 0 IHAARN CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000015074718 523565922 /nfs/dbraw/zinc/56/59/22/523565922.db2.gz SXVIGJDMGATOSS-QGZVFWFLSA-N 0 0 425.916 3.921 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1 ZINC000012740334 523574687 /nfs/dbraw/zinc/57/46/87/523574687.db2.gz KWTSXKKNBDORTF-QHCPKHFHSA-N 0 0 436.552 3.880 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000012741011 523574889 /nfs/dbraw/zinc/57/48/89/523574889.db2.gz LNMQHBKBCWONCO-QFIPXVFZSA-N 0 0 440.515 3.710 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 ZINC000012551859 523575040 /nfs/dbraw/zinc/57/50/40/523575040.db2.gz VMDPDMHZEHZCBX-IBGZPJMESA-N 0 0 438.499 3.617 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012740081 523575563 /nfs/dbraw/zinc/57/55/63/523575563.db2.gz GARFXJRJLNFQKE-HNNXBMFYSA-N 0 0 428.916 3.588 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)CC2)cc1 ZINC000012740231 523575776 /nfs/dbraw/zinc/57/57/76/523575776.db2.gz MPHVXTQRGHIMOB-JOCHJYFZSA-N 0 0 440.515 3.710 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2c3ccccc3Oc3ccccc32)C1=O ZINC000013114221 523630268 /nfs/dbraw/zinc/63/02/68/523630268.db2.gz ILXKMEWPKVLLRJ-RUZDIDTESA-N 0 0 427.460 3.813 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)NC(C)(C)C ZINC000035947270 523650852 /nfs/dbraw/zinc/65/08/52/523650852.db2.gz RNFMOLSJSSJAPU-IBGZPJMESA-N 0 0 444.507 3.553 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035948097 523650911 /nfs/dbraw/zinc/65/09/11/523650911.db2.gz HWPPVJNELJREIV-DEOSSOPVSA-N 0 0 449.551 3.566 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1)C(=O)C1CC1 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IPZLNMQUSXRPEM-BFMBIBTESA-N 0 0 441.524 3.927 50 0 IHAARN COc1ccc(C(=O)NCCc2nnc(SCc3cccc(Cl)c3)n2C)cc1OC ZINC000012449888 523703217 /nfs/dbraw/zinc/70/32/17/523703217.db2.gz XIILULCELWZKMK-UHFFFAOYSA-N 0 0 446.960 3.751 50 0 IHAARN CCc1c(C)sc2[nH]c(=S)n(NC(=O)COc3ccc(F)cc3Cl)c(=O)c12 ZINC000017095640 523718020 /nfs/dbraw/zinc/71/80/20/523718020.db2.gz WZMCRBQUGKDVBX-UHFFFAOYSA-N 0 0 427.910 3.933 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012851670 523779237 /nfs/dbraw/zinc/77/92/37/523779237.db2.gz UOGFMGDINNSDGX-HNNXBMFYSA-N 0 0 426.542 3.762 50 0 IHAARN CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000012529727 523840184 /nfs/dbraw/zinc/84/01/84/523840184.db2.gz LBCJYYIZCLJNEP-SFHVURJKSA-N 0 0 442.562 3.746 50 0 IHAARN CN(C(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)c1ccccc1 ZINC000022767985 523857418 /nfs/dbraw/zinc/85/74/18/523857418.db2.gz HKYGMVNCKATLJA-UHFFFAOYSA-N 0 0 433.899 3.776 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccccc3F)C2)c(OC)c1 ZINC000035960998 523875479 /nfs/dbraw/zinc/87/54/79/523875479.db2.gz BYFZNNLCTLXKBS-NRFANRHFSA-N 0 0 441.503 3.635 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1cccs1)CC2 ZINC000036026576 523878585 /nfs/dbraw/zinc/87/85/85/523878585.db2.gz VCGBHBVGUQPSAT-ICSRJNTNSA-N 0 0 425.598 3.770 50 0 IHAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026584 523879878 /nfs/dbraw/zinc/87/98/78/523879878.db2.gz HSUDBJXFJIYAAW-RDPSFJRHSA-N 0 0 449.595 3.717 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3nc(C)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000035888240 523894506 /nfs/dbraw/zinc/89/45/06/523894506.db2.gz KQXOPBOPGSEKJX-UHFFFAOYSA-N 0 0 436.581 3.778 50 0 IHAARN COCCNC(=O)COc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713762 523898148 /nfs/dbraw/zinc/89/81/48/523898148.db2.gz HNUIGDMUMZIHBG-VWLOTQADSA-N 0 0 448.519 3.517 50 0 IHAARN COCCNC(=O)NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 ZINC000012546396 523903646 /nfs/dbraw/zinc/90/36/46/523903646.db2.gz WLPQJJYKZRZUHN-UHFFFAOYSA-N 0 0 438.553 3.720 50 0 IHAARN COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc2ccccc2s1 ZINC000012417370 523908484 /nfs/dbraw/zinc/90/84/84/523908484.db2.gz OCAIADAWHUKGSC-INIZCTEOSA-N 0 0 432.592 3.980 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000035562221 523918885 /nfs/dbraw/zinc/91/88/85/523918885.db2.gz FIRCFUBRGKJSMH-UHFFFAOYSA-N 0 0 425.916 3.747 50 0 IHAARN COc1ccc(CCC(=O)N2CCc3c(c(COCc4ccccc4C)nn3C)C2)cc1 ZINC000033282599 523920711 /nfs/dbraw/zinc/92/07/11/523920711.db2.gz DPIHHCMZKADVJV-UHFFFAOYSA-N 0 0 433.552 3.971 50 0 IHAARN COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N3)cc1 ZINC000011665703 523948846 /nfs/dbraw/zinc/94/88/46/523948846.db2.gz BNHYKDGNGPKGSN-IBGZPJMESA-N 0 0 432.307 3.695 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(OC)cc4)nc32)CC1 ZINC000020564458 523963690 /nfs/dbraw/zinc/96/36/90/523963690.db2.gz RPUGHIAGYUKMTQ-HNNXBMFYSA-N 0 0 436.560 3.572 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3cccc(C)c3)o2)cc1OC ZINC000020514507 523969588 /nfs/dbraw/zinc/96/95/88/523969588.db2.gz IJWODQDYEHIMAV-SSEXGKCCSA-N 0 0 427.522 3.886 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2CCc3ccccc3C2)cc1 ZINC000012641250 523970970 /nfs/dbraw/zinc/97/09/70/523970970.db2.gz DRDFYYOIXOPXRG-UHFFFAOYSA-N 0 0 443.547 3.665 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)cc1 ZINC000033284531 523975788 /nfs/dbraw/zinc/97/57/88/523975788.db2.gz AGHCBDNVFVLPDF-UHFFFAOYSA-N 0 0 445.548 3.953 50 0 IHAARN CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CN(Cc1ccccc1)CC2 ZINC000035456558 523976709 /nfs/dbraw/zinc/97/67/09/523976709.db2.gz ZZPJTQZPPLHDQR-SFHVURJKSA-N 0 0 448.542 3.522 50 0 IHAARN COc1ccc(CN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C2CC2)cc1 ZINC000009888748 523988381 /nfs/dbraw/zinc/98/83/81/523988381.db2.gz BGBCRNWZLKJRJO-UHFFFAOYSA-N 0 0 447.461 3.892 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(C)cc3)S2(=O)=O)cc1 ZINC000021913163 523998259 /nfs/dbraw/zinc/99/82/59/523998259.db2.gz QWEZCOLGUDPABU-INIZCTEOSA-N 0 0 426.538 3.627 50 0 IHAARN CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 ZINC000035378585 524005175 /nfs/dbraw/zinc/00/51/75/524005175.db2.gz MRHZVJYNRXAABG-UHFFFAOYSA-N 0 0 433.464 3.755 50 0 IHAARN COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000035843205 524023512 /nfs/dbraw/zinc/02/35/12/524023512.db2.gz BVHGTSCDLXLDNM-UHFFFAOYSA-N 0 0 440.931 3.677 50 0 IHAARN COc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000021040085 524039393 /nfs/dbraw/zinc/03/93/93/524039393.db2.gz LIGKFYJSGZUAGR-UHFFFAOYSA-N 0 0 433.531 3.509 50 0 IHAARN COc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000035403604 524050218 /nfs/dbraw/zinc/05/02/18/524050218.db2.gz FJYYDYWDZHZNBA-UHFFFAOYSA-N 0 0 430.552 3.903 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000021527833 524066423 /nfs/dbraw/zinc/06/64/23/524066423.db2.gz UPWYDKVVZZBYTB-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN CNC(=O)CCN1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 ZINC000091713575 524067358 /nfs/dbraw/zinc/06/73/58/524067358.db2.gz NXIUFRSENLYSSY-RUZDIDTESA-N 0 0 427.548 3.750 50 0 IHAARN COc1ccc(CNc2nc(=O)n(CC(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000021361197 524105747 /nfs/dbraw/zinc/10/57/47/524105747.db2.gz UVXQLTHWGYZBAS-UHFFFAOYSA-N 0 0 444.491 3.665 50 0 IHAARN Cc1cccc(-c2nc3n(n2)c(=O)cc(C)n3CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000021525769 524119840 /nfs/dbraw/zinc/11/98/40/524119840.db2.gz DHFKEBUTAREDRY-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN Cc1cccc(-c2noc(-c3cn(CC(=O)NC4CCCC4)c4nc(C)ccc4c3=O)n2)c1 ZINC000033284230 524129773 /nfs/dbraw/zinc/12/97/73/524129773.db2.gz BZAKSQHKOLPWLK-UHFFFAOYSA-N 0 0 443.507 3.789 50 0 IHAARN COc1cccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928097 524130334 /nfs/dbraw/zinc/13/03/34/524130334.db2.gz JURXNDJWBNKHTC-BJKOFHAPSA-N 0 0 427.504 3.850 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC2CC2)c1OC ZINC000036054514 524181006 /nfs/dbraw/zinc/18/10/06/524181006.db2.gz IXXBYYLBDDVAOG-RTBURBONSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000012915740 524188748 /nfs/dbraw/zinc/18/87/48/524188748.db2.gz QKWVUMCEMJMNRP-UHFFFAOYSA-N 0 0 442.512 3.849 50 0 IHAARN COc1ccc(Cl)cc1-c1nc(SCc2nc(N)nc(Nc3ccccc3)n2)n[nH]1 ZINC000012784197 524190719 /nfs/dbraw/zinc/19/07/19/524190719.db2.gz OSWFPUIBFKGJMP-UHFFFAOYSA-N 0 0 440.920 3.937 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1 ZINC000033282727 524191007 /nfs/dbraw/zinc/19/10/07/524191007.db2.gz RXKSNWDRJNUTRF-UHFFFAOYSA-N 0 0 425.554 3.501 50 0 IHAARN C[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937471 524213101 /nfs/dbraw/zinc/21/31/01/524213101.db2.gz KCPUESLUEPXZHX-SFHVURJKSA-N 0 0 425.554 3.693 50 0 IHAARN Cc1cccc(C(C)C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000020510326 524231598 /nfs/dbraw/zinc/23/15/98/524231598.db2.gz ZOXBMJPGWLLHPD-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN COc1ccccc1-c1cc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)n[nH]1 ZINC000021156543 524268455 /nfs/dbraw/zinc/26/84/55/524268455.db2.gz DSWKENJVTGVDEO-UHFFFAOYSA-N 0 0 434.481 3.637 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)[C@@H]1C ZINC000020562907 524306030 /nfs/dbraw/zinc/30/60/30/524306030.db2.gz ZAAGKHQMZFXWJY-DBXWQHBBSA-N 0 0 431.602 3.757 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)c(C)c1 ZINC000012921364 524316301 /nfs/dbraw/zinc/31/63/01/524316301.db2.gz SHCHKZSIXCKESD-JOCHJYFZSA-N 0 0 426.582 3.816 50 0 IHAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(Br)cc1)N(CCO)C3=O ZINC000016751303 524352468 /nfs/dbraw/zinc/35/24/68/524352468.db2.gz PZABLYMRXLEJLN-KRWDZBQOSA-N 0 0 428.282 3.710 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000035744568 524356739 /nfs/dbraw/zinc/35/67/39/524356739.db2.gz IHLKZWIKQXZSKT-UHFFFAOYSA-N 0 0 447.510 3.978 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000012568747 524369039 /nfs/dbraw/zinc/36/90/39/524369039.db2.gz ZTLUPUJZILJBDG-MWTRTKDXSA-N 0 0 441.553 3.791 50 0 IHAARN Cc1ccc(CN(C)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(C)c1 ZINC000012860635 524369643 /nfs/dbraw/zinc/36/96/43/524369643.db2.gz HUFGEGNDHQSBHN-UHFFFAOYSA-N 0 0 429.586 3.820 50 0 IHAARN COc1ccccc1C1=NO[C@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020614163 524374272 /nfs/dbraw/zinc/37/42/72/524374272.db2.gz JFMFCLORNZVGGF-NRFANRHFSA-N 0 0 447.457 3.551 50 0 IHAARN C[C@H](CNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000021651117 524388476 /nfs/dbraw/zinc/38/84/76/524388476.db2.gz DJTJFUFDVUQLGY-QTYPKTMWSA-N 0 0 446.576 3.832 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H]1C ZINC000019006056 524394859 /nfs/dbraw/zinc/39/48/59/524394859.db2.gz JOZXKDYVUVLYIZ-LPMFXHHGSA-N 0 0 430.973 3.821 50 0 IHAARN COc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862549 524397901 /nfs/dbraw/zinc/39/79/01/524397901.db2.gz MWPZXTDUCCVKAF-SANMLTNESA-N 0 0 446.551 3.925 50 0 IHAARN COc1ccccc1CCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012208790 524402164 /nfs/dbraw/zinc/40/21/64/524402164.db2.gz HYIKAEDOYISNEO-HXUWFJFHSA-N 0 0 428.960 3.879 50 0 IHAARN Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000012507898 524434514 /nfs/dbraw/zinc/43/45/14/524434514.db2.gz MVNLAWLMXNBVBG-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN Cc1cc(C)cc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000012289629 524440375 /nfs/dbraw/zinc/44/03/75/524440375.db2.gz DDCYIMUBXHIZFE-ZEQRLZLVSA-N 0 0 438.568 3.922 50 0 IHAARN COc1ccccc1CN1C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCC1=O ZINC000012440166 524454133 /nfs/dbraw/zinc/45/41/33/524454133.db2.gz GTZIPFVVKIZZMI-QFIPXVFZSA-N 0 0 434.536 3.555 50 0 IHAARN COc1ccc(NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c(OC)c1 ZINC000033013693 524477446 /nfs/dbraw/zinc/47/74/46/524477446.db2.gz VQUBMEBIYTVGPT-UHFFFAOYSA-N 0 0 448.479 3.865 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306446 524490834 /nfs/dbraw/zinc/49/08/34/524490834.db2.gz ZOBFKVRIVDXVKK-CSKARUKUSA-N 0 0 447.538 3.660 50 0 IHAARN COc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021763124 524500257 /nfs/dbraw/zinc/50/02/57/524500257.db2.gz ZPCPXIGYEXQMFR-UHFFFAOYSA-N 0 0 437.418 3.507 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 ZINC000012750757 524527534 /nfs/dbraw/zinc/52/75/34/524527534.db2.gz GKSZCEAXVKHKCU-UHFFFAOYSA-N 0 0 430.551 3.554 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012915838 524529457 /nfs/dbraw/zinc/52/94/57/524529457.db2.gz KRMPZSDWRDNVPH-INIZCTEOSA-N 0 0 436.524 3.503 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000012854694 524530874 /nfs/dbraw/zinc/53/08/74/524530874.db2.gz OHFYIADHOBVCSB-AWEZNQCLSA-N 0 0 429.369 3.897 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000012898456 524530913 /nfs/dbraw/zinc/53/09/13/524530913.db2.gz QNSNYWIKUKERGB-MBSDFSHPSA-N 0 0 446.551 3.549 50 0 biogenic IHAARN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012782871 524533096 /nfs/dbraw/zinc/53/30/96/524533096.db2.gz JRDHZEQHJNKQSP-WIYYLYMNSA-N 0 0 439.556 3.858 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)C[C@@H]2C)c1 ZINC000033005501 524545555 /nfs/dbraw/zinc/54/55/55/524545555.db2.gz FCUVVIAKFPSHNW-FQEVSTJZSA-N 0 0 432.568 3.758 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 ZINC000020736493 524547747 /nfs/dbraw/zinc/54/77/47/524547747.db2.gz GQNYNKRNYCJDGH-UHFFFAOYSA-N 0 0 428.330 3.761 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)C[C@@H]2C)c1 ZINC000035482576 524549406 /nfs/dbraw/zinc/54/94/06/524549406.db2.gz RTELRHDWEOCQIT-IBGZPJMESA-N 0 0 426.524 3.783 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)C4=CSCCO4)c3)CC2)c1C ZINC000021019367 524551195 /nfs/dbraw/zinc/55/11/95/524551195.db2.gz LGXVFDKVXRVZCW-UHFFFAOYSA-N 0 0 437.565 3.809 50 0 IHAARN COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012324165 524560005 /nfs/dbraw/zinc/56/00/05/524560005.db2.gz DQRBNRZPINYZHN-HXUWFJFHSA-N 0 0 444.329 3.887 50 0 IHAARN Cc1ccc(CNC(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000020599893 524568167 /nfs/dbraw/zinc/56/81/67/524568167.db2.gz LOSLNASIGDWAMS-VMPITWQZSA-N 0 0 430.552 3.744 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)c1C ZINC000032970884 524590353 /nfs/dbraw/zinc/59/03/53/524590353.db2.gz NEGLQHYFZLXSIN-PGRDOPGGSA-N 0 0 436.508 3.551 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000044892047 524603536 /nfs/dbraw/zinc/60/35/36/524603536.db2.gz DFVZGFCPKJYCKX-PKTZIBPZSA-N 0 0 447.491 3.657 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1Cl ZINC000012777338 524604248 /nfs/dbraw/zinc/60/42/48/524604248.db2.gz QRIQEKYDBZAODG-INIZCTEOSA-N 0 0 431.968 3.720 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)NC(=O)c2cc3c(ccc(OC)c3OC)[nH]2)cc1Cl ZINC000012321859 524604811 /nfs/dbraw/zinc/60/48/11/524604811.db2.gz BZJKABXDQJMVBP-NSHDSACASA-N 0 0 431.876 3.604 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014793391 524672520 /nfs/dbraw/zinc/67/25/20/524672520.db2.gz PWXQHTHNRSHHHH-UHFFFAOYSA-N 0 0 442.475 3.664 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3c3nnc(C4CC4)n32)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034707220 524676326 /nfs/dbraw/zinc/67/63/26/524676326.db2.gz JUFANMYUWXYZLC-INIZCTEOSA-N 0 0 444.514 3.574 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000012605606 524691504 /nfs/dbraw/zinc/69/15/04/524691504.db2.gz WCSNKDBKROZQRZ-UHFFFAOYSA-N 0 0 446.550 3.914 50 0 IHAARN COc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022828024 524698031 /nfs/dbraw/zinc/69/80/31/524698031.db2.gz PYMZJVMLSWNWNQ-UHFFFAOYSA-N 0 0 438.549 3.994 50 0 IHAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1C ZINC000001100665 524722389 /nfs/dbraw/zinc/72/23/89/524722389.db2.gz ZVRXCYPAYBYYEL-INIZCTEOSA-N 0 0 428.554 3.780 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O ZINC000012415846 524747414 /nfs/dbraw/zinc/74/74/14/524747414.db2.gz FOUAICGISTZBFF-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN COc1ccc(OC)c(C(=O)N2CCC(n3c4ncccc4nc3[C@H]3CCCO3)CC2)c1 ZINC000011910660 524805458 /nfs/dbraw/zinc/80/54/58/524805458.db2.gz KCZSJUOZTHAECL-OAQYLSRUSA-N 0 0 436.512 3.777 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000020933903 524820359 /nfs/dbraw/zinc/82/03/59/524820359.db2.gz CCIIKIOLHFQQLB-UHFFFAOYSA-N 0 0 434.471 3.792 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c1 ZINC000035447723 524857840 /nfs/dbraw/zinc/85/78/40/524857840.db2.gz VNYLZESTIHXZBO-UHFFFAOYSA-N 0 0 431.496 3.859 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)Cc2ccc(F)cc2)c1 ZINC000015729822 524879097 /nfs/dbraw/zinc/87/90/97/524879097.db2.gz HTUPIYTUSSHAQQ-FQEVSTJZSA-N 0 0 429.513 3.975 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000012777648 524881722 /nfs/dbraw/zinc/88/17/22/524881722.db2.gz DBWBNDYLJNVDND-GFCCVEGCSA-N 0 0 432.933 3.782 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3nnsc3Cl)c2)cc1 ZINC000021250261 524888061 /nfs/dbraw/zinc/88/80/61/524888061.db2.gz OGMDXFPMUIGLMP-UHFFFAOYSA-N 0 0 437.930 3.682 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059496 524898299 /nfs/dbraw/zinc/89/82/99/524898299.db2.gz IGWOIJWYNHPZJK-VXKWHMMOSA-N 0 0 448.519 3.811 50 0 IHAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000012541236 524900479 /nfs/dbraw/zinc/90/04/79/524900479.db2.gz PFMKCNSAXKAJHX-SFHVURJKSA-N 0 0 435.402 3.989 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012746396 524912725 /nfs/dbraw/zinc/91/27/25/524912725.db2.gz FCWFHARBTLZPSA-GOSISDBHSA-N 0 0 436.430 3.816 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1 ZINC000012888716 524914992 /nfs/dbraw/zinc/91/49/92/524914992.db2.gz KOUDIAPPVYNVDW-INIZCTEOSA-N 0 0 430.545 3.593 50 0 IHAARN COc1ccc(OCC(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035448104 524936416 /nfs/dbraw/zinc/93/64/16/524936416.db2.gz FQZKUYDYFOJYKR-UHFFFAOYSA-N 0 0 449.463 3.509 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000012707375 524987439 /nfs/dbraw/zinc/98/74/39/524987439.db2.gz KAHOYOQSNWDDSB-KRWDZBQOSA-N 0 0 434.565 3.532 50 0 IHAARN COc1ccc(Oc2nc(-c3ccc(OC)cc3)ncc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000035988158 524994275 /nfs/dbraw/zinc/99/42/75/524994275.db2.gz PVOIGUUXNWVHDB-FQEVSTJZSA-N 0 0 435.480 3.862 50 0 IHAARN C[C@H](NC(=O)Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O)c1ccccc1 ZINC000035423604 524996810 /nfs/dbraw/zinc/99/68/10/524996810.db2.gz JZDZMWLDAXCBRC-LBPRGKRZSA-N 0 0 425.286 3.518 50 0 IHAARN C[C@H]1Cn2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532009 524999322 /nfs/dbraw/zinc/99/93/22/524999322.db2.gz LBEOGRWYLTWJKD-AWEZNQCLSA-N 0 0 441.890 3.537 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(C)nc1-c1ccccc1 ZINC000015605911 525000934 /nfs/dbraw/zinc/00/09/34/525000934.db2.gz TYAYWLYVNZTGKG-UHFFFAOYSA-N 0 0 431.539 3.630 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccnc2)cc1Br ZINC000022844729 525016142 /nfs/dbraw/zinc/01/61/42/525016142.db2.gz XNSIJLMYGRXWKR-UHFFFAOYSA-N 0 0 437.315 3.837 50 0 IHAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1Cl ZINC000012755625 525029898 /nfs/dbraw/zinc/02/98/98/525029898.db2.gz OCOIMTNXWJMRQU-LBPRGKRZSA-N 0 0 448.397 3.832 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(Nc3ccccc3)s2)cc1 ZINC000022357267 525043986 /nfs/dbraw/zinc/04/39/86/525043986.db2.gz VWGQFSNSJYFAHH-UHFFFAOYSA-N 0 0 427.555 3.779 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000012361671 525044019 /nfs/dbraw/zinc/04/40/19/525044019.db2.gz SXSWZSIVTZCSPB-HSZRJFAPSA-N 0 0 442.537 3.616 50 0 IHAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1Cl ZINC000012415409 525049650 /nfs/dbraw/zinc/04/96/50/525049650.db2.gz FRVFDJQCNABANN-UHFFFAOYSA-N 0 0 442.368 3.693 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C(C)(C)C)cc2)C(=O)N3)cc1C ZINC000035430688 525050861 /nfs/dbraw/zinc/05/08/61/525050861.db2.gz HUOYPKZNMZZBHW-UHFFFAOYSA-N 0 0 446.595 3.951 50 0 biogenic IHAARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(Cl)c1 ZINC000012587860 525059081 /nfs/dbraw/zinc/05/90/81/525059081.db2.gz KGOIDCMTDBTVFA-OAQYLSRUSA-N 0 0 427.932 3.867 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022767470 525063637 /nfs/dbraw/zinc/06/36/37/525063637.db2.gz ZRIXUQQZNWNPIC-JOCHJYFZSA-N 0 0 428.579 3.835 50 0 IHAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548487 525069198 /nfs/dbraw/zinc/06/91/98/525069198.db2.gz JNMIOQXTGQOHPW-SPLOXXLWSA-N 0 0 442.468 3.794 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000035425035 525107888 /nfs/dbraw/zinc/10/78/88/525107888.db2.gz RTIPJJHGZYMPLM-UHFFFAOYSA-N 0 0 425.448 3.784 50 0 IHAARN C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000022316895 525118688 /nfs/dbraw/zinc/11/86/88/525118688.db2.gz QPWJSNFLFRUKAG-GFCCVEGCSA-N 0 0 449.381 3.839 50 0 IHAARN Cc1cc(NC(=O)CCc2nc(CSc3nnc(-c4cccc(C)c4)o3)no2)no1 ZINC000021721788 525130102 /nfs/dbraw/zinc/13/01/02/525130102.db2.gz NCTXCUAAWYEELK-UHFFFAOYSA-N 0 0 426.458 3.588 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC[C@H]1CCCO1 ZINC000021859730 525134548 /nfs/dbraw/zinc/13/45/48/525134548.db2.gz CZJBUFYZSRRPKD-QFQXNSOFSA-N 0 0 431.536 3.660 50 0 IHAARN Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(-c2nc3c(cc(C)cc3C)s2)n1 ZINC000021686511 525138353 /nfs/dbraw/zinc/13/83/53/525138353.db2.gz LUGYCQHDHTVVBN-UHFFFAOYSA-N 0 0 445.504 3.642 50 0 IHAARN Cc1cc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)n(-c2ccccc2C)n1 ZINC000012787170 525158726 /nfs/dbraw/zinc/15/87/26/525158726.db2.gz GMTXHEOAXIUOOK-UHFFFAOYSA-N 0 0 433.541 3.812 50 0 IHAARN COc1ccc([C@@H](CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)NC(C)=O)cc1 ZINC000021395581 525172832 /nfs/dbraw/zinc/17/28/32/525172832.db2.gz BQZAIWLRPGFYAR-QGZVFWFLSA-N 0 0 439.493 3.753 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCCCC2)cc1 ZINC000012592107 525187265 /nfs/dbraw/zinc/18/72/65/525187265.db2.gz GUDCWNAWBCGJLG-HSZRJFAPSA-N 0 0 446.551 3.507 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)no1 ZINC000012636512 525211216 /nfs/dbraw/zinc/21/12/16/525211216.db2.gz KUOCOBRLMLVLFH-OAHLLOKOSA-N 0 0 444.536 3.808 50 0 IHAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000022801161 525218267 /nfs/dbraw/zinc/21/82/67/525218267.db2.gz VQYNXKNAWZDBRV-DEOSSOPVSA-N 0 0 436.600 3.597 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000035445826 525237835 /nfs/dbraw/zinc/23/78/35/525237835.db2.gz WBEWEJXYIZLPBM-QFIPXVFZSA-N 0 0 446.551 3.575 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(F)cc2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797057 525239441 /nfs/dbraw/zinc/23/94/41/525239441.db2.gz LRIDTOQPYRYIAM-UHFFFAOYSA-N 0 0 435.459 3.751 50 0 IHAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c(OC)c1 ZINC000012751950 525250712 /nfs/dbraw/zinc/25/07/12/525250712.db2.gz ASGWLBYNWXFGIN-KRWDZBQOSA-N 0 0 426.332 3.992 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccs2)cc1 ZINC000012903401 525261755 /nfs/dbraw/zinc/26/17/55/525261755.db2.gz JFKBAPFSERIRPO-UHFFFAOYSA-N 0 0 441.621 3.647 50 0 IHAARN Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 ZINC000021161236 525285980 /nfs/dbraw/zinc/28/59/80/525285980.db2.gz CFYGCTDFNMTVRL-UHFFFAOYSA-N 0 0 436.585 3.744 50 0 IHAARN Cc1ccccc1OCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000012856281 525296505 /nfs/dbraw/zinc/29/65/05/525296505.db2.gz FIEANNWGHMXLTM-UHFFFAOYSA-N 0 0 436.961 3.584 50 0 IHAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O ZINC000012756157 525313628 /nfs/dbraw/zinc/31/36/28/525313628.db2.gz QSULWKVZZNHWJU-IVCQMTBJSA-N 0 0 449.457 3.901 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F ZINC000012507213 525329055 /nfs/dbraw/zinc/32/90/55/525329055.db2.gz PXLJAKYEQWWVBA-CYBMUJFWSA-N 0 0 430.480 3.920 50 0 IHAARN COc1ccc([C@H](CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)NC(C)=O)cc1 ZINC000021495366 525345995 /nfs/dbraw/zinc/34/59/95/525345995.db2.gz IVKIGMYPMRADKT-QRWLVFNGSA-N 0 0 430.574 3.590 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCCCC2)cc1 ZINC000012592115 525359305 /nfs/dbraw/zinc/35/93/05/525359305.db2.gz GUDCWNAWBCGJLG-QHCPKHFHSA-N 0 0 446.551 3.507 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000014698313 525387324 /nfs/dbraw/zinc/38/73/24/525387324.db2.gz XFLPUEWPKJQLLV-BETUJISGSA-N 0 0 441.347 3.961 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000012651397 525393191 /nfs/dbraw/zinc/39/31/91/525393191.db2.gz NUARIIPPBRQWDG-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN Cc1[nH]c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c(C)c1C(=O)OC(C)C ZINC000022301147 525412498 /nfs/dbraw/zinc/41/24/98/525412498.db2.gz GBJYBKTUHXJQLO-BETUJISGSA-N 0 0 434.562 3.515 50 0 IHAARN Cc1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)[nH]c1Cc1ccccc1 ZINC000009338316 525413718 /nfs/dbraw/zinc/41/37/18/525413718.db2.gz WFBGICWBCGLRRR-UHFFFAOYSA-N 0 0 426.567 3.689 50 0 IHAARN Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2c1C ZINC000021604999 525424265 /nfs/dbraw/zinc/42/42/65/525424265.db2.gz SXZFDIABCPZFJU-GFCCVEGCSA-N 0 0 425.510 3.618 50 0 IHAARN Cc1cc(SCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc12 ZINC000012632557 525435357 /nfs/dbraw/zinc/43/53/57/525435357.db2.gz UQWMUXZJDGOCGE-OAHLLOKOSA-N 0 0 429.542 3.726 50 0 IHAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccc(F)cc3)nn2c(=O)c1C ZINC000021807012 525447534 /nfs/dbraw/zinc/44/75/34/525447534.db2.gz XUZQOCQWEIAJTK-UHFFFAOYSA-N 0 0 425.851 3.674 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000001128719 525499051 /nfs/dbraw/zinc/49/90/51/525499051.db2.gz RPTGDLIAHUFWMD-UHFFFAOYSA-N 0 0 449.576 3.783 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O ZINC000012926925 525518955 /nfs/dbraw/zinc/51/89/55/525518955.db2.gz YNEUYXYQTASATC-GFCCVEGCSA-N 0 0 427.353 3.976 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)cc1 ZINC000034927566 525525126 /nfs/dbraw/zinc/52/51/26/525525126.db2.gz FRKIOLKTICZTGS-UHFFFAOYSA-N 0 0 436.986 3.909 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000013146026 525538840 /nfs/dbraw/zinc/53/88/40/525538840.db2.gz GYVRJAORXMDCEZ-UHFFFAOYSA-N 0 0 446.638 3.885 50 0 IHAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000022441249 525547971 /nfs/dbraw/zinc/54/79/71/525547971.db2.gz VBHHVIGIUACXTO-LJQANCHMSA-N 0 0 438.952 3.754 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000035871793 525551730 /nfs/dbraw/zinc/55/17/30/525551730.db2.gz LFDRODZBCTVGLP-ZCYQVOJMSA-N 0 0 431.536 3.781 50 0 IHAARN CSCC[C@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 ZINC000012544468 525588072 /nfs/dbraw/zinc/58/80/72/525588072.db2.gz VVIMXUNNSXAFLM-SFHVURJKSA-N 0 0 446.573 3.984 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc(F)cc2)CN1C ZINC000035494269 525593807 /nfs/dbraw/zinc/59/38/07/525593807.db2.gz XVVLECVLYLGIIY-OPJGWUQDSA-N 0 0 431.467 3.605 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(NNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000012875918 525631062 /nfs/dbraw/zinc/63/10/62/525631062.db2.gz PJTKCIWTSCTVRL-UHFFFAOYSA-N 0 0 436.942 3.787 50 0 IHAARN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012786604 525648357 /nfs/dbraw/zinc/64/83/57/525648357.db2.gz SEUYPDVFVZDRJC-IRXDYDNUSA-N 0 0 434.583 3.524 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccc(C)cc3)cc(=O)n2o1 ZINC000035448193 525672443 /nfs/dbraw/zinc/67/24/43/525672443.db2.gz NUQXMIKJGSDZDC-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)[C@@H](C)Oc4ccc(C)cc4)c3)cc(=O)n2o1 ZINC000035378591 525674334 /nfs/dbraw/zinc/67/43/34/525674334.db2.gz HTYKUOFQXNUFCJ-QGZVFWFLSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(COc3ccccc3NC(=O)COc3c(C)cccc3C)cc(=O)n2o1 ZINC000035378565 525674656 /nfs/dbraw/zinc/67/46/56/525674656.db2.gz MLFARAJJBQDKHE-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 ZINC000020572944 525683052 /nfs/dbraw/zinc/68/30/52/525683052.db2.gz AUXQODYSYCLFJK-UHFFFAOYSA-N 0 0 442.523 3.554 50 0 IHAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(F)cc2)CCS3)c1 ZINC000012140630 525743108 /nfs/dbraw/zinc/74/31/08/525743108.db2.gz QJFDDEKMRJJSKG-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000012653691 525763142 /nfs/dbraw/zinc/76/31/42/525763142.db2.gz VLKREMWVPDTUHB-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN CSCc1nnc(S[C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000012882280 525767531 /nfs/dbraw/zinc/76/75/31/525767531.db2.gz ZKRXAZLRMBDLLG-SNVBAGLBSA-N 0 0 448.492 3.529 50 0 IHAARN Cc1c(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000057383180 525837091 /nfs/dbraw/zinc/83/70/91/525837091.db2.gz QZSGWPRENYJMJR-HSZRJFAPSA-N 0 0 432.549 3.864 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035963309 525858368 /nfs/dbraw/zinc/85/83/68/525858368.db2.gz ISSBHXLXHANIOW-OAQYLSRUSA-N 0 0 440.519 3.952 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(Cc4cc5c(c(Cl)c4)OCO5)CC3)n2)cc1 ZINC000022824381 525879274 /nfs/dbraw/zinc/87/92/74/525879274.db2.gz SOZRWPKKXKMIRT-UHFFFAOYSA-N 0 0 426.904 3.745 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N1CCc2ccccc21 ZINC000012732606 525880267 /nfs/dbraw/zinc/88/02/67/525880267.db2.gz PANXEFGMVVKCTJ-HNNXBMFYSA-N 0 0 447.457 3.838 50 0 IHAARN C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102499923 525884702 /nfs/dbraw/zinc/88/47/02/525884702.db2.gz YXRHBPUTSUELOS-KKUMJFAQSA-N 0 0 426.966 3.733 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000252444463 525886254 /nfs/dbraw/zinc/88/62/54/525886254.db2.gz FZYMTOXTKACNBW-VXIBKDFQSA-N 0 0 434.964 3.913 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000022259888 525892066 /nfs/dbraw/zinc/89/20/66/525892066.db2.gz HLHKCNBQMPZEEI-SFHVURJKSA-N 0 0 444.487 3.792 50 0 IHAARN C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000012785063 525892436 /nfs/dbraw/zinc/89/24/36/525892436.db2.gz UTMLUNOUAXEYAV-SECBINFHSA-N 0 0 428.313 3.514 50 0 IHAARN C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012890342 525896861 /nfs/dbraw/zinc/89/68/61/525896861.db2.gz SPFNRLFFWAOSKG-LRYXAPPNSA-N 0 0 431.554 3.557 50 0 IHAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc2N2CCCCC2)cc1 ZINC000012561711 525902093 /nfs/dbraw/zinc/90/20/93/525902093.db2.gz AUWPWZUHLRQQME-INIZCTEOSA-N 0 0 444.605 3.671 50 0 IHAARN C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000017097061 525929222 /nfs/dbraw/zinc/92/92/22/525929222.db2.gz KRVBROQAGHQSQY-FQEVSTJZSA-N 0 0 430.552 3.919 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000012874725 525930676 /nfs/dbraw/zinc/93/06/76/525930676.db2.gz MHDYZMGREJKBAO-ZDUSSCGKSA-N 0 0 449.736 3.826 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3cccc(F)c3)CC2)c(C)c1 ZINC000036025912 525933953 /nfs/dbraw/zinc/93/39/53/525933953.db2.gz AUARDLLUUNVIQZ-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1cccs1)nc2C ZINC000020563855 525934173 /nfs/dbraw/zinc/93/41/73/525934173.db2.gz LKEUJUSNEVFWFZ-UHFFFAOYSA-N 0 0 435.553 3.666 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccc(F)cc1)nc2C ZINC000020563675 525934886 /nfs/dbraw/zinc/93/48/86/525934886.db2.gz AQTONHRIBZYFAR-KRWDZBQOSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000036025900 525935179 /nfs/dbraw/zinc/93/51/79/525935179.db2.gz WWWRXMWZXHTFMG-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCc1ccc(Cl)cc1)nc2C ZINC000020563194 525937144 /nfs/dbraw/zinc/93/71/44/525937144.db2.gz LETBHQTZTGKIIX-INIZCTEOSA-N 0 0 435.915 3.730 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000033385246 525952075 /nfs/dbraw/zinc/95/20/75/525952075.db2.gz PNKYCPMEPYHNHV-QFGUUYLXSA-N 0 0 430.913 3.960 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000015854004 525958163 /nfs/dbraw/zinc/95/81/63/525958163.db2.gz RRFBJJNARRVMAA-OKILXGFUSA-N 0 0 446.500 3.931 50 0 IHAARN Cc1cnc(-n2ncc(C(=O)N3CCOCC3)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000012245365 525964727 /nfs/dbraw/zinc/96/47/27/525964727.db2.gz SIFFGNMACPHFCT-UHFFFAOYSA-N 0 0 449.511 3.978 50 0 IHAARN Cc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012567547 525967762 /nfs/dbraw/zinc/96/77/62/525967762.db2.gz HCFZGPZUQGNCMC-UKILVPOCSA-N 0 0 440.609 3.632 50 0 IHAARN C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)N[C@@H](C)c1ccccn1 ZINC000012565477 525980930 /nfs/dbraw/zinc/98/09/30/525980930.db2.gz SFSDHRHDDYGDJP-QWHCGFSZSA-N 0 0 428.583 3.758 50 0 IHAARN CSc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)cc1 ZINC000021049589 526000720 /nfs/dbraw/zinc/00/07/20/526000720.db2.gz CIAVKRWHZIPSKN-UHFFFAOYSA-N 0 0 438.528 3.720 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1ccccc1F ZINC000022358795 526000728 /nfs/dbraw/zinc/00/07/28/526000728.db2.gz QVMCDTQOGXQBLS-OAHLLOKOSA-N 0 0 426.517 3.720 50 0 IHAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022056106 526008362 /nfs/dbraw/zinc/00/83/62/526008362.db2.gz SYKNOVFCMLYLBP-INIZCTEOSA-N 0 0 426.517 3.701 50 0 IHAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O ZINC000012600950 526008788 /nfs/dbraw/zinc/00/87/88/526008788.db2.gz ZHDKBVFURPBVHU-GXTWGEPZSA-N 0 0 447.630 3.727 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012854067 526010122 /nfs/dbraw/zinc/01/01/22/526010122.db2.gz NZJAWPPGGWTMND-CQSZACIVSA-N 0 0 448.552 3.920 50 0 IHAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021685225 526010979 /nfs/dbraw/zinc/01/09/79/526010979.db2.gz JNKQZJMFFORPDE-CYBMUJFWSA-N 0 0 426.498 3.687 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)c2C)no1 ZINC000016694678 526068929 /nfs/dbraw/zinc/06/89/29/526068929.db2.gz DKSOFSPIRBZKQO-CYBMUJFWSA-N 0 0 427.423 3.737 50 0 IHAARN C[C@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012871494 526087528 /nfs/dbraw/zinc/08/75/28/526087528.db2.gz JOSULUIIEXCLMW-CQSZACIVSA-N 0 0 432.450 3.579 50 0 IHAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000012919629 526095136 /nfs/dbraw/zinc/09/51/36/526095136.db2.gz PFGIPDIFLFBUNW-DZGCQCFKSA-N 0 0 434.323 3.658 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1F ZINC000012783976 526126300 /nfs/dbraw/zinc/12/63/00/526126300.db2.gz UAGVILRYOHZHAR-UHFFFAOYSA-N 0 0 448.542 3.761 50 0 IHAARN COc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862541 526140304 /nfs/dbraw/zinc/14/03/04/526140304.db2.gz IOPOIOPNFVBBKA-SANMLTNESA-N 0 0 446.551 3.925 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3ccc4cc(Br)ccc43)CC2)c1 ZINC000020739950 526149395 /nfs/dbraw/zinc/14/93/95/526149395.db2.gz IBSOBEGVEOIDRA-UHFFFAOYSA-N 0 0 428.330 3.761 50 0 IHAARN Cc1cc(Br)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000001116172 526151953 /nfs/dbraw/zinc/15/19/53/526151953.db2.gz MIEOURKUEXNGPC-UHFFFAOYSA-N 0 0 427.339 3.716 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2=O)c1 ZINC000012797086 526160501 /nfs/dbraw/zinc/16/05/01/526160501.db2.gz WSNWSRJTNNORRW-HNNXBMFYSA-N 0 0 425.485 3.873 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012873952 526169680 /nfs/dbraw/zinc/16/96/80/526169680.db2.gz WURSGQACBNBUGC-OAHLLOKOSA-N 0 0 428.334 3.970 50 0 IHAARN CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000012908932 526176218 /nfs/dbraw/zinc/17/62/18/526176218.db2.gz WMVKWXJUXYHQAD-ZSEKCTLFSA-N 0 0 428.535 3.908 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)OCc3nnsc3Cl)cc2)c1 ZINC000022035482 526177669 /nfs/dbraw/zinc/17/76/69/526177669.db2.gz FMRHECKMRWFMHP-UHFFFAOYSA-N 0 0 433.873 3.575 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000012914775 526181922 /nfs/dbraw/zinc/18/19/22/526181922.db2.gz HWTDEEASCBYOCR-QGZVFWFLSA-N 0 0 434.565 3.942 50 0 IHAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(I)cc3)nc2C)c1 ZINC000089718051 526184152 /nfs/dbraw/zinc/18/41/52/526184152.db2.gz XUEYAQQAMCSPHQ-UHFFFAOYSA-N 0 0 448.264 3.505 50 0 IHAARN COc1cccc(OC)c1C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000015781253 526217363 /nfs/dbraw/zinc/21/73/63/526217363.db2.gz ZNXVYZFSVSZWEJ-HXUWFJFHSA-N 0 0 447.484 3.689 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012908539 526217909 /nfs/dbraw/zinc/21/79/09/526217909.db2.gz YGSBIFQFEQSPMO-MRXNPFEDSA-N 0 0 442.519 3.948 50 0 IHAARN Cc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000012929897 526235894 /nfs/dbraw/zinc/23/58/94/526235894.db2.gz FCDTXLNRHDDTOQ-UHFFFAOYSA-N 0 0 437.565 3.965 50 0 IHAARN Cc1ccc(C(C)C)c(OCCNC(=O)CCCCNS(=O)(=O)c2ccccc2)c1 ZINC000008396175 526248105 /nfs/dbraw/zinc/24/81/05/526248105.db2.gz VYJHSNABJLBGCD-UHFFFAOYSA-N 0 0 432.586 3.762 50 0 IHAARN Cc1cc(C(=O)N2CCOc3c(cc(-c4ccccc4C)cc3O[C@@H]3CCOC3)C2)n(C)n1 ZINC000012166589 526256626 /nfs/dbraw/zinc/25/66/26/526256626.db2.gz VXEWRGNYANRWFB-OAQYLSRUSA-N 0 0 447.535 3.906 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000035673204 526271530 /nfs/dbraw/zinc/27/15/30/526271530.db2.gz HRSWYDRVPBJNGI-UHFFFAOYSA-N 0 0 441.480 3.761 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccccc1F)c1ccccn1 ZINC000035673185 526271768 /nfs/dbraw/zinc/27/17/68/526271768.db2.gz QVIYMQRZZRPWHR-UHFFFAOYSA-N 0 0 438.480 3.568 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc12 ZINC000012797490 526289836 /nfs/dbraw/zinc/28/98/36/526289836.db2.gz LTTXGFPPXKUYEX-NRFANRHFSA-N 0 0 444.560 3.815 50 0 IHAARN O=C(C1CCC1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035992331 526294331 /nfs/dbraw/zinc/29/43/31/526294331.db2.gz CDSYVPRNPCMANZ-UHFFFAOYSA-N 0 0 436.947 3.795 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000012751653 526305875 /nfs/dbraw/zinc/30/58/75/526305875.db2.gz NNHPQXNBUDMEBI-CQSZACIVSA-N 0 0 446.479 3.507 50 0 IHAARN O=C(CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000012597017 526405844 /nfs/dbraw/zinc/40/58/44/526405844.db2.gz XEGNRTVHBLKAFW-UHFFFAOYSA-N 0 0 449.617 3.607 50 0 IHAARN O=C(OCCOc1ccc(F)cc1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000022562170 526420050 /nfs/dbraw/zinc/42/00/50/526420050.db2.gz PLFSGQYUYMPLAO-UHFFFAOYSA-N 0 0 440.452 3.623 50 0 IHAARN O=C(CCCOc1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012809122 526446782 /nfs/dbraw/zinc/44/67/82/526446782.db2.gz MEJRKZPLAQMEHB-UHFFFAOYSA-N 0 0 446.544 3.749 50 0 IHAARN O=C([C@@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000020531066 526453731 /nfs/dbraw/zinc/45/37/31/526453731.db2.gz DMCJQXBFHMUQTR-XMMPIXPASA-N 0 0 429.495 3.872 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3cccs3)cc(=O)n12 ZINC000021633134 526455186 /nfs/dbraw/zinc/45/51/86/526455186.db2.gz INASKYURZFRIBV-UHFFFAOYSA-N 0 0 425.491 3.735 50 0 IHAARN O=C([C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000012306950 526462848 /nfs/dbraw/zinc/46/28/48/526462848.db2.gz MGNOJWOYOBZEBD-LJQANCHMSA-N 0 0 448.489 3.579 50 0 IHAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012522718 526481625 /nfs/dbraw/zinc/48/16/25/526481625.db2.gz LSLSSNRTTHBCGM-HOTGVXAUSA-N 0 0 435.446 3.585 50 0 IHAARN O=C(CCNC(=O)c1ccc(F)cc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000022847128 526505379 /nfs/dbraw/zinc/50/53/79/526505379.db2.gz OMVOXKBFWSCFTM-UHFFFAOYSA-N 0 0 430.451 3.785 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000012736435 526530071 /nfs/dbraw/zinc/53/00/71/526530071.db2.gz FFPOVVZUVDESQB-UHFFFAOYSA-N 0 0 432.527 3.603 50 0 IHAARN O=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000022343663 526542879 /nfs/dbraw/zinc/54/28/79/526542879.db2.gz SBOXEINXNBLGCU-OAHLLOKOSA-N 0 0 440.594 3.736 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Oc2ccc(C(C)(C)C)cc2C)CC1 ZINC000021588975 526547755 /nfs/dbraw/zinc/54/77/55/526547755.db2.gz LOCPNIJGCLIAOS-UHFFFAOYSA-N 0 0 434.558 3.904 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000020240139 526548455 /nfs/dbraw/zinc/54/84/55/526548455.db2.gz TVLQINRYYVGDRA-UHFFFAOYSA-N 0 0 445.516 3.559 50 0 IHAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(C)s2)no1 ZINC000035539052 526561969 /nfs/dbraw/zinc/56/19/69/526561969.db2.gz OFCRKKITDVOINB-UHFFFAOYSA-N 0 0 438.962 3.579 50 0 IHAARN O=C(CC[C@H]1CCCN(c2ccc3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012596298 526569973 /nfs/dbraw/zinc/56/99/73/526569973.db2.gz ULTUYGKTZCMTBN-OAQYLSRUSA-N 0 0 429.568 3.975 50 0 IHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2c(nc3sccn23)s1 ZINC000012547692 526578467 /nfs/dbraw/zinc/57/84/67/526578467.db2.gz WMNDBTLRFILOEV-MRXNPFEDSA-N 0 0 430.530 3.553 50 0 IHAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC2(CC1)OCCO2 ZINC000012409017 526579000 /nfs/dbraw/zinc/57/90/00/526579000.db2.gz WCAJFUSUNHWXFJ-UHFFFAOYSA-N 0 0 428.432 3.996 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2SCC(N)=O)cs1 ZINC000012562448 526579958 /nfs/dbraw/zinc/57/99/58/526579958.db2.gz SLAMMAFTTLENQI-UHFFFAOYSA-N 0 0 438.578 3.697 50 0 IHAARN O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc4ccccc43)CC2)O1)c1ccccn1 ZINC000012127111 526587397 /nfs/dbraw/zinc/58/73/97/526587397.db2.gz UFJMVZIPZHEZCA-HXUWFJFHSA-N 0 0 429.520 3.819 50 0 IHAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000035431363 526596397 /nfs/dbraw/zinc/59/63/97/526596397.db2.gz NBCBUMBXICQKIQ-UHFFFAOYSA-N 0 0 441.535 3.640 50 0 IHAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NC[C@H]2CCCO2)nn1 ZINC000020515787 526601024 /nfs/dbraw/zinc/60/10/24/526601024.db2.gz PQBPMAZXSGATEY-MRXNPFEDSA-N 0 0 426.567 3.963 50 0 IHAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000035426618 526635331 /nfs/dbraw/zinc/63/53/31/526635331.db2.gz QJALEFLUHAKQQB-UHFFFAOYSA-N 0 0 447.926 3.720 50 0 IHAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012919609 526636084 /nfs/dbraw/zinc/63/60/84/526636084.db2.gz RAXPRNACXYXENM-UHFFFAOYSA-N 0 0 437.496 3.607 50 0 IHAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012681791 526640919 /nfs/dbraw/zinc/64/09/19/526640919.db2.gz QFOQOHIYUZMZME-UHFFFAOYSA-N 0 0 431.565 3.759 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(I)cc1 ZINC000012871683 526648644 /nfs/dbraw/zinc/64/86/44/526648644.db2.gz LAFMSHCNCYPCKE-UHFFFAOYSA-N 0 0 425.251 3.974 50 0 IHAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCCCn1ncc2ccccc21 ZINC000014974115 526664897 /nfs/dbraw/zinc/66/48/97/526664897.db2.gz WBSVFMDCKLZWEM-UHFFFAOYSA-N 0 0 428.496 3.631 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811692 526673976 /nfs/dbraw/zinc/67/39/76/526673976.db2.gz CRAVLUUPPKEBKB-UHFFFAOYSA-N 0 0 447.297 3.915 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1cc(-c2ccco2)on1 ZINC000024127710 526683297 /nfs/dbraw/zinc/68/32/97/526683297.db2.gz ZXSHMONCHKYLFC-UHFFFAOYSA-N 0 0 444.241 3.541 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000036041212 526698738 /nfs/dbraw/zinc/69/87/38/526698738.db2.gz NBAFNJDPFBSSHX-FCHUYYIVSA-N 0 0 428.488 3.588 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035513198 526699090 /nfs/dbraw/zinc/69/90/90/526699090.db2.gz IQCDRBLNVBVMJH-SFHVURJKSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513130 526699553 /nfs/dbraw/zinc/69/95/53/526699553.db2.gz LZIYXZMOALRAPR-SFHVURJKSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024002149 526707825 /nfs/dbraw/zinc/70/78/25/526707825.db2.gz XMDCXZIAPHDXHV-FQEVSTJZSA-N 0 0 437.565 3.812 50 0 IHAARN O=C(NCc1cccc(Br)c1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535290 526709431 /nfs/dbraw/zinc/70/94/31/526709431.db2.gz RTDSZMOKWMBCTK-UHFFFAOYSA-N 0 0 432.347 3.622 50 0 IHAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCc2ccccc21 ZINC000012568761 526713829 /nfs/dbraw/zinc/71/38/29/526713829.db2.gz YVOYSUKCQQFJLS-MHZLTWQESA-N 0 0 439.515 3.656 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1ccccc1C(F)(F)F ZINC000020794977 526714201 /nfs/dbraw/zinc/71/42/01/526714201.db2.gz LDDOWSCPSBPMHW-OAQYLSRUSA-N 0 0 431.414 3.818 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCN(C(=O)c2ccco2)CC1 ZINC000012473186 526728618 /nfs/dbraw/zinc/72/86/18/526728618.db2.gz ZGJCOGNHDNFRLI-UHFFFAOYSA-N 0 0 443.887 3.973 50 0 IHAARN O=C(NCc1ccccc1Br)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000035430476 526743222 /nfs/dbraw/zinc/74/32/22/526743222.db2.gz CHFGJKWOTMZXHN-UHFFFAOYSA-N 0 0 432.343 3.717 50 0 IHAARN O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012897996 526744160 /nfs/dbraw/zinc/74/41/60/526744160.db2.gz XMYMUEJXVCUOMX-UTKZUKDTSA-N 0 0 438.483 3.881 50 0 biogenic IHAARN O=C(NCc1ccccc1F)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049799 526752922 /nfs/dbraw/zinc/75/29/22/526752922.db2.gz JGEPIUXDTSZHSO-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1ccc2nsnc2c1 ZINC000022752059 526772632 /nfs/dbraw/zinc/77/26/32/526772632.db2.gz XGIASFSRKCKGAL-UHFFFAOYSA-N 0 0 436.368 3.754 50 0 IHAARN O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1ccc2nsnc2c1 ZINC000022752195 526773015 /nfs/dbraw/zinc/77/30/15/526773015.db2.gz ORNNJTVETUSCAP-UHFFFAOYSA-N 0 0 436.368 3.754 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012787596 526802857 /nfs/dbraw/zinc/80/28/57/526802857.db2.gz WODORLMUFNCTCL-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN O=C(c1ccccc1I)N1CCN(c2ccccc2Cl)CC1 ZINC000017119249 526807040 /nfs/dbraw/zinc/80/70/40/526807040.db2.gz XNAMRWMSXFCTBE-UHFFFAOYSA-N 0 0 426.685 3.907 50 0 IHAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000012563353 526817919 /nfs/dbraw/zinc/81/79/19/526817919.db2.gz LJDYNHIQVSCJSS-FQEVSTJZSA-N 0 0 447.457 3.924 50 0 IHAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000012561655 526818109 /nfs/dbraw/zinc/81/81/09/526818109.db2.gz YNVILBHKELFYKX-FQEVSTJZSA-N 0 0 447.457 3.924 50 0 IHAARN O=C(c1ccco1)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000015830854 526830609 /nfs/dbraw/zinc/83/06/09/526830609.db2.gz OFUWRONRMIUHBD-UHFFFAOYSA-N 0 0 425.286 3.805 50 0 IHAARN O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3c(F)cccc3Cl)co2)CC1 ZINC000022852859 526831289 /nfs/dbraw/zinc/83/12/89/526831289.db2.gz XZORHPBQURSVHI-UHFFFAOYSA-N 0 0 446.862 3.562 50 0 IHAARN O=C(CNC(=O)NCc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022486145 526841002 /nfs/dbraw/zinc/84/10/02/526841002.db2.gz JWKCJYZASNMAHA-UHFFFAOYSA-N 0 0 442.313 3.825 50 0 IHAARN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000015681595 526886965 /nfs/dbraw/zinc/88/69/65/526886965.db2.gz CHVQTAZHKKMSLG-IBGZPJMESA-N 0 0 449.530 3.667 50 0 IHAARN O=C(c1coc(-c2ccccc2)n1)N1CCCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000021725145 526896766 /nfs/dbraw/zinc/89/67/66/526896766.db2.gz FGKHWUVYSYFXRN-UHFFFAOYSA-N 0 0 429.480 3.740 50 0 IHAARN O=C(CNc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F ZINC000012523512 526900104 /nfs/dbraw/zinc/90/01/04/526900104.db2.gz RAOVPSAPLZXPIM-UHFFFAOYSA-N 0 0 439.418 3.674 50 0 IHAARN Cc1scc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1-c1ccccc1 ZINC000016400417 526903123 /nfs/dbraw/zinc/90/31/23/526903123.db2.gz CACOBMMDPPJYLE-UHFFFAOYSA-N 0 0 426.563 3.870 50 0 IHAARN NC(=O)Cc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)s1 ZINC000009666660 526909334 /nfs/dbraw/zinc/90/93/34/526909334.db2.gz MFPNYBYEMFHTOB-UHFFFAOYSA-N 0 0 437.550 3.826 50 0 IHAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCN(c2ncccn2)CC1 ZINC000020556919 526914251 /nfs/dbraw/zinc/91/42/51/526914251.db2.gz XIFKTHYHSIFFDW-UHFFFAOYSA-N 0 0 436.947 3.682 50 0 IHAARN O=C(c1noc2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc21)N1CCCC1 ZINC000035461563 526929560 /nfs/dbraw/zinc/92/95/60/526929560.db2.gz XOKQKYXSTDGDDN-UHFFFAOYSA-N 0 0 437.521 3.542 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012793834 526947850 /nfs/dbraw/zinc/94/78/50/526947850.db2.gz LCSMKNPMUIALSG-NRFANRHFSA-N 0 0 440.503 3.745 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000012802086 526953338 /nfs/dbraw/zinc/95/33/38/526953338.db2.gz QMJJIWWCTKKIQQ-BOPFTXTBSA-N 0 0 434.876 3.711 50 0 IHAARN O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000012600628 526974991 /nfs/dbraw/zinc/97/49/91/526974991.db2.gz HXWSNZKRPYSXIN-UHFFFAOYSA-N 0 0 433.855 3.564 50 0 IHAARN NC(=O)[C@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000022460942 526998347 /nfs/dbraw/zinc/99/83/47/526998347.db2.gz OUVSRRXQJFVBRA-MRXNPFEDSA-N 0 0 441.837 3.740 50 0 IHAARN O=C1CN(Cc2ccccc2F)S(=O)(=O)c2ccccc2N1Cc1cccc(F)c1 ZINC000021662974 527005773 /nfs/dbraw/zinc/00/57/73/527005773.db2.gz QESKNBJZXVOFEL-UHFFFAOYSA-N 0 0 428.460 3.703 50 0 IHAARN Cn1c(-c2nnc(SCC(=O)NCCc3nc4ccccc4[nH]3)o2)cc2ccccc21 ZINC000021150253 527019316 /nfs/dbraw/zinc/01/93/16/527019316.db2.gz LJMHKULKHGWCQG-UHFFFAOYSA-N 0 0 432.509 3.556 50 0 IHAARN O=C(CSCc1nc2ccccc2s1)NCc1ccccc1CN1CCOCC1 ZINC000024379416 527029866 /nfs/dbraw/zinc/02/98/66/527029866.db2.gz CYVHKPOGJBZLBO-UHFFFAOYSA-N 0 0 427.595 3.678 50 0 IHAARN O=C1C[C@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCO2 ZINC000012416027 527034237 /nfs/dbraw/zinc/03/42/37/527034237.db2.gz ODQWKXHQNAKHGX-LBPRGKRZSA-N 0 0 428.242 3.748 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012779156 527051149 /nfs/dbraw/zinc/05/11/49/527051149.db2.gz GVHAZLYBCRPHSB-UHFFFAOYSA-N 0 0 433.493 3.726 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012873158 527062747 /nfs/dbraw/zinc/06/27/47/527062747.db2.gz OLJWKCAANJOORF-WFXMLNOXSA-N 0 0 441.597 3.849 50 0 IHAARN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C(F)(F)F)nc2ccccc21 ZINC000012740968 527066555 /nfs/dbraw/zinc/06/65/55/527066555.db2.gz NECHETUEZRZIIN-LLVKDONJSA-N 0 0 442.488 3.511 50 0 IHAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1)c1ccc(F)cc1 ZINC000012374349 527078170 /nfs/dbraw/zinc/07/81/70/527078170.db2.gz POMWQYCFDUZAGA-UHFFFAOYSA-N 0 0 447.513 3.635 50 0 IHAARN NC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 ZINC000012884684 527085714 /nfs/dbraw/zinc/08/57/14/527085714.db2.gz GTMPNHSBWSFDDJ-UHFFFAOYSA-N 0 0 425.554 3.826 50 0 IHAARN O=C1Nc2ccccc2Oc2cc(N3CCCCC3)c(S(=O)(=O)N3CCCC3)cc21 ZINC000035327251 527090478 /nfs/dbraw/zinc/09/04/78/527090478.db2.gz IXMCVJWRDXYNJF-UHFFFAOYSA-N 0 0 427.526 3.819 50 0 IHAARN Cn1c2ccc(CNC(=O)c3ccc4oc(Cc5ccccc5)nc4c3)cc2n(C)c1=O ZINC000012759478 527099088 /nfs/dbraw/zinc/09/90/88/527099088.db2.gz NSKKRSDWEJUJKA-UHFFFAOYSA-N 0 0 426.476 3.539 50 0 IHAARN NC(=O)c1ncn2c1nc(-c1ccccc1)cc2C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012520153 527104293 /nfs/dbraw/zinc/10/42/93/527104293.db2.gz NLULTDHZHKCPJV-UHFFFAOYSA-N 0 0 439.519 3.590 50 0 IHAARN Cn1c2cn(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000020899493 527118511 /nfs/dbraw/zinc/11/85/11/527118511.db2.gz IGHHTRPOUHCALN-UHFFFAOYSA-N 0 0 428.261 3.597 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)cc2s1 ZINC000020326169 527148106 /nfs/dbraw/zinc/14/81/06/527148106.db2.gz OPURKNKTHZVBRB-VBKZILBWSA-N 0 0 431.583 3.785 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000016488150 527158803 /nfs/dbraw/zinc/15/88/03/527158803.db2.gz ZEYVLOSDDQLQTF-ZDUSSCGKSA-N 0 0 441.322 3.628 50 0 IHAARN Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000009659582 527171823 /nfs/dbraw/zinc/17/18/23/527171823.db2.gz YEGSTCORQBNHJG-UHFFFAOYSA-N 0 0 429.263 3.577 50 0 IHAARN Cn1cc(C(=O)OCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)cn1 ZINC000012851869 527172568 /nfs/dbraw/zinc/17/25/68/527172568.db2.gz JUUAIABLYUPPLQ-UHFFFAOYSA-N 0 0 441.491 3.557 50 0 IHAARN O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000035508312 527186502 /nfs/dbraw/zinc/18/65/02/527186502.db2.gz DZZDRVUJJPEEKG-ZDUSSCGKSA-N 0 0 427.867 3.755 50 0 IHAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000012918549 527205838 /nfs/dbraw/zinc/20/58/38/527205838.db2.gz FUBPPZUSYKOSJQ-UHFFFAOYSA-N 0 0 435.597 3.801 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c1ncnc2NCc1ccc(F)cc1 ZINC000035590560 527222781 /nfs/dbraw/zinc/22/27/81/527222781.db2.gz IKSQPMWSQFPHKI-UHFFFAOYSA-N 0 0 438.894 3.590 50 0 IHAARN O=S(=O)(NC[C@H](c1cccc2ccccc21)N1CCOCC1)c1ccc(Cl)cc1 ZINC000023108192 527226504 /nfs/dbraw/zinc/22/65/04/527226504.db2.gz CXBFPVWBCLCPGH-JOCHJYFZSA-N 0 0 430.957 3.845 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc1)c1ccccc1F ZINC000034667671 527227306 /nfs/dbraw/zinc/22/73/06/527227306.db2.gz CEMJSFWALQGBOJ-UHFFFAOYSA-N 0 0 440.425 3.714 50 0 IHAARN O=S(=O)(NCc1ccc(Br)cc1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000021702350 527229392 /nfs/dbraw/zinc/22/93/92/527229392.db2.gz FRXWHOHOELZMRA-UHFFFAOYSA-N 0 0 440.344 3.917 50 0 IHAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)CCC2 ZINC000016147784 527244670 /nfs/dbraw/zinc/24/46/70/527244670.db2.gz SGYBPKBBUSLHSM-UHFFFAOYSA-N 0 0 426.460 3.832 50 0 IHAARN O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=Cc2ccccc2CC1 ZINC000012507896 527252396 /nfs/dbraw/zinc/25/23/96/527252396.db2.gz WHGLIOBGPOWDKD-UHFFFAOYSA-N 0 0 427.551 3.862 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000016090522 527269273 /nfs/dbraw/zinc/26/92/73/527269273.db2.gz YULSNGLCUASCAZ-UHFFFAOYSA-N 0 0 433.730 3.753 50 0 IHAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=N)oc12 ZINC000020849220 527282013 /nfs/dbraw/zinc/28/20/13/527282013.db2.gz SCBJCPLIDYGMLR-UHFFFAOYSA-N 0 0 425.448 3.904 50 0 IHAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000012361403 527281921 /nfs/dbraw/zinc/28/19/21/527281921.db2.gz LXUATKIUWBYTSI-NRFANRHFSA-N 0 0 430.913 3.707 50 0 IHAARN O=S(=O)(c1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1)N1CCOCC1 ZINC000013113386 527283422 /nfs/dbraw/zinc/28/34/22/527283422.db2.gz UFQKFUWARJLZEA-HXUWFJFHSA-N 0 0 443.594 3.654 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127997 527286566 /nfs/dbraw/zinc/28/65/66/527286566.db2.gz JBLRDEBDZFXOKS-NRFANRHFSA-N 0 0 443.503 3.780 50 0 IHAARN O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2 ZINC000022573592 527288468 /nfs/dbraw/zinc/28/84/68/527288468.db2.gz ILIIXJYPOBIXIO-UHFFFAOYSA-N 0 0 428.485 3.550 50 0 IHAARN O=S(=O)(c1ccccc1F)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012873217 527290436 /nfs/dbraw/zinc/29/04/36/527290436.db2.gz RMRDIGUEFGFCPU-UHFFFAOYSA-N 0 0 435.908 3.641 50 0 IHAARN O=S1(=O)CCN(C[C@H]2CCCO2)c2c(Oc3ccc(F)cc3)nc(F)c(Cl)c21 ZINC000024615057 527307850 /nfs/dbraw/zinc/30/78/50/527307850.db2.gz RPXJIMWAUOBBQY-CYBMUJFWSA-N 0 0 430.860 3.578 50 0 IHAARN O=C(Nc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1)c1cccs1 ZINC000012748323 527328614 /nfs/dbraw/zinc/32/86/14/527328614.db2.gz MCCZUMDXVHZCKI-SFHVURJKSA-N 0 0 441.578 3.865 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)cc1F ZINC000012360181 527351000 /nfs/dbraw/zinc/35/10/00/527351000.db2.gz OMWMLPHREGHXPR-UHFFFAOYSA-N 0 0 425.435 3.545 50 0 biogenic,in-vitro IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccccc2)c1=O)Nc1cccc(F)c1 ZINC000012140718 527357705 /nfs/dbraw/zinc/35/77/05/527357705.db2.gz OMEHCHSWGIKECC-UHFFFAOYSA-N 0 0 429.407 3.676 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc21 ZINC000021053471 527373826 /nfs/dbraw/zinc/37/38/26/527373826.db2.gz YOCNVEXGLVKGQX-UHFFFAOYSA-N 0 0 445.972 3.549 50 0 IHAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O)NCc1ccccc1Cl ZINC000033300091 527398542 /nfs/dbraw/zinc/39/85/42/527398542.db2.gz HKSFHVNFDDDUEO-UHFFFAOYSA-N 0 0 428.876 3.629 50 0 IHAARN Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000021153559 527402589 /nfs/dbraw/zinc/40/25/89/527402589.db2.gz PHBWYRCNMYFBFG-JOCHJYFZSA-N 0 0 429.973 3.756 50 0 IHAARN O=C(Nc1ccccc1N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012557893 527425752 /nfs/dbraw/zinc/42/57/52/527425752.db2.gz GZCKOJIHVUGCSK-SFHVURJKSA-N 0 0 445.560 3.855 50 0 IHAARN O=C(Cn1nnc(COc2ccccc2)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012688693 527429392 /nfs/dbraw/zinc/42/93/92/527429392.db2.gz CGAJKGCMKQVFJN-GOSISDBHSA-N 0 0 434.525 3.616 50 0 IHAARN O=c1c(Cl)c(N2CCN(Cc3nc4ccccc4s3)CC2)cnn1-c1ccccc1 ZINC000012614793 527450113 /nfs/dbraw/zinc/45/01/13/527450113.db2.gz FZQHNFQMESCDFZ-UHFFFAOYSA-N 0 0 437.956 3.818 50 0 IHAARN O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1Cc1ccccc1)CCCC3 ZINC000012804978 527458951 /nfs/dbraw/zinc/45/89/51/527458951.db2.gz LZVSFBFBDPTSAE-UHFFFAOYSA-N 0 0 441.622 3.809 50 0 IHAARN O=C(Nc1ccnn1C1CCN(C(=O)C(=O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000012387242 527460155 /nfs/dbraw/zinc/46/01/55/527460155.db2.gz WYTLQMXIURXWIY-UHFFFAOYSA-N 0 0 435.459 3.713 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1 ZINC000021601017 527462658 /nfs/dbraw/zinc/46/26/58/527462658.db2.gz HDHSCMKRZHAYEY-MGPUTAFESA-N 0 0 443.334 3.986 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012555048 527462797 /nfs/dbraw/zinc/46/27/97/527462797.db2.gz QHJCJZDFHPRLTD-UHFFFAOYSA-N 0 0 449.536 3.665 50 0 IHAARN O=c1oc2c(ccc3c2CN(CCN2CCOCC2)CO3)cc1-c1ccc(Cl)cc1 ZINC000022918626 527497602 /nfs/dbraw/zinc/49/76/02/527497602.db2.gz SSBDXUHXOKYBAG-UHFFFAOYSA-N 0 0 426.900 3.598 50 0 IHAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCc1ccccc1Cl)C2)c1ccco1 ZINC000011963195 527509508 /nfs/dbraw/zinc/50/95/08/527509508.db2.gz GNDHULRXSFYIME-ZDUSSCGKSA-N 0 0 443.912 3.746 50 0 IHAARN O=C(NC1CCCCC1)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000033259302 527515253 /nfs/dbraw/zinc/51/52/53/527515253.db2.gz JYKSILTVHKJUPZ-HXUWFJFHSA-N 0 0 445.567 3.505 50 0 IHAARN Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1cccc(Br)c1 ZINC000035482542 527519169 /nfs/dbraw/zinc/51/91/69/527519169.db2.gz ZNESGSVNSGUDLN-UHFFFAOYSA-N 0 0 443.349 3.679 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1 ZINC000012889005 527523391 /nfs/dbraw/zinc/52/33/91/527523391.db2.gz ITJZGZFJBJFAKE-UHFFFAOYSA-N 0 0 443.507 3.838 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000012637899 527528264 /nfs/dbraw/zinc/52/82/64/527528264.db2.gz BXRBAAQXMZCHGF-SXSDINLZSA-N 0 0 427.863 3.943 50 0 IHAARN O=C(NC1CCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1)c1ccccc1 ZINC000014808194 527534546 /nfs/dbraw/zinc/53/45/46/527534546.db2.gz SPMWPWYVXJBIMH-UHFFFAOYSA-N 0 0 434.569 3.663 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000012678288 527540206 /nfs/dbraw/zinc/54/02/06/527540206.db2.gz BQBXJVWYSHOPQW-UHFFFAOYSA-N 0 0 440.547 3.960 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012849361 527541799 /nfs/dbraw/zinc/54/17/99/527541799.db2.gz IEHAPDOVTQZUAA-UHFFFAOYSA-N 0 0 431.323 3.842 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCc1ccc(F)cc1)C(=O)CS2 ZINC000015735109 527553488 /nfs/dbraw/zinc/55/34/88/527553488.db2.gz GVGXQMALMHVOME-UHFFFAOYSA-N 0 0 438.528 3.855 50 0 IHAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908080 527623246 /nfs/dbraw/zinc/62/32/46/527623246.db2.gz GDRDDNZGOADSNA-QFIPXVFZSA-N 0 0 437.609 3.970 50 0 IHAARN O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012772280 527645589 /nfs/dbraw/zinc/64/55/89/527645589.db2.gz NHDCLOYLAZDVEX-DAFODLJHSA-N 0 0 431.366 3.601 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000020920459 527655727 /nfs/dbraw/zinc/65/57/27/527655727.db2.gz OSKAJKHYWOEPOE-IBGZPJMESA-N 0 0 437.565 3.572 50 0 IHAARN O[C@@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022918027 527662128 /nfs/dbraw/zinc/66/21/28/527662128.db2.gz NYMZQKZQOCHLAX-HSZRJFAPSA-N 0 0 446.547 3.640 50 0 IHAARN CC1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCOCC3)cc2)CC1 ZINC000009204917 535285223 /nfs/dbraw/zinc/28/52/23/535285223.db2.gz ZVYQCMUGTGJQPA-UHFFFAOYSA-N 0 0 436.600 3.830 50 0 IHAARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000009670046 535445476 /nfs/dbraw/zinc/44/54/76/535445476.db2.gz ZHVWWHDRRUREMU-HNNXBMFYSA-N 0 0 426.542 3.918 50 0 IHAARN CCc1ccccc1N1CCCn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000009519184 535942858 /nfs/dbraw/zinc/94/28/58/535942858.db2.gz DNESEMMBVGXDQO-UHFFFAOYSA-N 0 0 449.942 3.703 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1c(Cl)cccc1Cl ZINC000012995452 536113730 /nfs/dbraw/zinc/11/37/30/536113730.db2.gz ZHGJYYOYZKAIOF-UHFFFAOYSA-N 0 0 427.353 3.766 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCCc3ccccc32)c1 ZINC000009492475 536298524 /nfs/dbraw/zinc/29/85/24/536298524.db2.gz WKBNIQHJYBJSSW-UHFFFAOYSA-N 0 0 435.549 3.903 50 0 IHAARN COc1ccc(CNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)cc1 ZINC000003057138 536867426 /nfs/dbraw/zinc/86/74/26/536867426.db2.gz FKUWVJFOHCWZJZ-OEAKJJBVSA-N 0 0 432.451 3.917 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000010542020 536969233 /nfs/dbraw/zinc/96/92/33/536969233.db2.gz KIZAVLMJYURMFY-ROUUACIJSA-N 0 0 442.581 3.955 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)CC1 ZINC000008617195 537065713 /nfs/dbraw/zinc/06/57/13/537065713.db2.gz CADAGQIVDPUEEB-UHFFFAOYSA-N 0 0 443.960 3.575 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000625952 555512642 /nfs/dbraw/zinc/51/26/42/555512642.db2.gz VFTDQMOHXXYGNQ-JOCHJYFZSA-N 0 0 442.471 3.709 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)c1 ZINC000000629008 555514070 /nfs/dbraw/zinc/51/40/70/555514070.db2.gz UILGBUXRSZZAQT-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN CCn1c(CCNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000000634014 555516040 /nfs/dbraw/zinc/51/60/40/555516040.db2.gz OUHBDFPSXVNKRK-UHFFFAOYSA-N 0 0 437.569 3.618 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1C ZINC000000637485 555517176 /nfs/dbraw/zinc/51/71/76/555517176.db2.gz QIIAXQBVDVPTIR-AWEZNQCLSA-N 0 0 434.277 3.900 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000000641236 555518674 /nfs/dbraw/zinc/51/86/74/555518674.db2.gz VDSRKDUHUNCBTR-FQEVSTJZSA-N 0 0 427.526 3.534 50 0 IHAARN COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O ZINC000000662954 555527433 /nfs/dbraw/zinc/52/74/33/555527433.db2.gz SFSMDZACYQONEQ-INIZCTEOSA-N 0 0 441.322 3.723 50 0 IHAARN CCc1cccc(CC)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000000667399 555529250 /nfs/dbraw/zinc/52/92/50/555529250.db2.gz LJBNDKCOHYUPNO-ZDUSSCGKSA-N 0 0 439.375 3.879 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000000672576 555531940 /nfs/dbraw/zinc/53/19/40/555531940.db2.gz UJUBMWSTCAWVSQ-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cnn1C ZINC000000674141 555532763 /nfs/dbraw/zinc/53/27/63/555532763.db2.gz KKBHQYXTBAZPTB-AEFFLSMTSA-N 0 0 432.450 3.824 50 0 IHAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1NC(=O)c1cccnc1 ZINC000000676018 555534605 /nfs/dbraw/zinc/53/46/05/555534605.db2.gz QFUJEMVBUCNMEH-UHFFFAOYSA-N 0 0 425.466 3.751 50 0 IHAARN CCOC(=O)c1c(N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000000675991 555534627 /nfs/dbraw/zinc/53/46/27/555534627.db2.gz GESPVUMLQRJYPK-AWEZNQCLSA-N 0 0 431.744 3.998 50 0 IHAARN COc1cc(-n2nnnc2SCC(=O)Nc2cc(C)cc(C)c2)c(OC)cc1Cl ZINC000000679241 555536531 /nfs/dbraw/zinc/53/65/31/555536531.db2.gz OHOCYFREAVYLQX-UHFFFAOYSA-N 0 0 433.921 3.681 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc(OC)c1OC(C)=O ZINC000000726907 555551652 /nfs/dbraw/zinc/55/16/52/555551652.db2.gz WIIHJZXGPFGVGT-OVCLIPMQSA-N 0 0 446.253 3.736 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000000780445 555554735 /nfs/dbraw/zinc/55/47/35/555554735.db2.gz TUUGQZBTUSDJJE-UHFFFAOYSA-N 0 0 446.569 3.867 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc3nc(C)cc(C(F)F)n3n1)CCCC2 ZINC000000815240 555561434 /nfs/dbraw/zinc/56/14/34/555561434.db2.gz AAPXCDKTXKTBQD-UHFFFAOYSA-N 0 0 435.456 3.740 50 0 IHAARN O=C1c2cccnc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000000838251 555567358 /nfs/dbraw/zinc/56/73/58/555567358.db2.gz NCDABMIADAWZOM-UHFFFAOYSA-N 0 0 446.422 3.745 50 0 IHAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000000844390 555568785 /nfs/dbraw/zinc/56/87/85/555568785.db2.gz ARKGEXWCKXUIQY-LLVKDONJSA-N 0 0 442.524 3.990 50 0 IHAARN CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)c1 ZINC000000855974 555571068 /nfs/dbraw/zinc/57/10/68/555571068.db2.gz MLFDDTBDSVXHFJ-UHFFFAOYSA-N 0 0 427.412 3.730 50 0 IHAARN COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 ZINC000000862525 555572977 /nfs/dbraw/zinc/57/29/77/555572977.db2.gz XBUIVTIRXGUQEY-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1OC ZINC000000867223 555574390 /nfs/dbraw/zinc/57/43/90/555574390.db2.gz YHXBIQDBIZBUDU-KRWDZBQOSA-N 0 0 446.301 3.733 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 ZINC000000873202 555575842 /nfs/dbraw/zinc/57/58/42/555575842.db2.gz ZTEJLAGQZKZKOI-UHFFFAOYSA-N 0 0 440.525 3.881 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000000886892 555579197 /nfs/dbraw/zinc/57/91/97/555579197.db2.gz AGFQEFUMYWPJPM-UHFFFAOYSA-N 0 0 431.539 3.611 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2Cl)cc1 ZINC000000894188 555580249 /nfs/dbraw/zinc/58/02/49/555580249.db2.gz IHFWLYXHPKSNDS-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000000909686 555582256 /nfs/dbraw/zinc/58/22/56/555582256.db2.gz OBZRZDWDXVSSIM-HXUWFJFHSA-N 0 0 441.553 3.761 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCCC3)n2)cc1OC ZINC000000919840 555584360 /nfs/dbraw/zinc/58/43/60/555584360.db2.gz FPLGFAUCDWOGEK-UHFFFAOYSA-N 0 0 427.448 3.894 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1OCC ZINC000009670313 555586211 /nfs/dbraw/zinc/58/62/11/555586211.db2.gz FLCHEGKOKLUUSM-UHFFFAOYSA-N 0 0 431.554 3.940 50 0 IHAARN CCOc1ccc(/C=C/C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC ZINC000000953113 555589778 /nfs/dbraw/zinc/58/97/78/555589778.db2.gz WXOLAYYIESMCGE-UXBLZVDNSA-N 0 0 432.523 3.759 50 0 IHAARN COc1cc(C(=O)NC(=S)Nc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OC ZINC000000980638 555593252 /nfs/dbraw/zinc/59/32/52/555593252.db2.gz AUNFLHBAMOGROM-UHFFFAOYSA-N 0 0 440.525 3.642 50 0 IHAARN CC(C)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000000982564 555593632 /nfs/dbraw/zinc/59/36/32/555593632.db2.gz JADVLGHLCAMEQN-UHFFFAOYSA-N 0 0 425.348 3.977 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 ZINC000000990585 555596186 /nfs/dbraw/zinc/59/61/86/555596186.db2.gz LOHYSBWNMLXHDY-UHFFFAOYSA-N 0 0 429.428 3.844 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O)c1ccc(Cl)cc1 ZINC000000991344 555596476 /nfs/dbraw/zinc/59/64/76/555596476.db2.gz RUYGEUFLTYDMTK-UHFFFAOYSA-N 0 0 435.819 3.886 50 0 IHAARN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 ZINC000000993216 555597493 /nfs/dbraw/zinc/59/74/93/555597493.db2.gz RCIZXCKBBFCSTO-MRXNPFEDSA-N 0 0 430.298 3.845 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000001003888 555600830 /nfs/dbraw/zinc/60/08/30/555600830.db2.gz DOMKQENWRJFAOT-UHFFFAOYSA-N 0 0 443.525 3.778 50 0 IHAARN Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000001033855 555607096 /nfs/dbraw/zinc/60/70/96/555607096.db2.gz SXPWFQLUZNCWFR-GOSISDBHSA-N 0 0 434.323 3.580 50 0 IHAARN COc1ccc(C2=NO[C@@H](COC(=O)c3ccc(I)cc3)C2)cc1 ZINC000001035332 555607736 /nfs/dbraw/zinc/60/77/36/555607736.db2.gz GOPNNBNKQNACNY-MRXNPFEDSA-N 0 0 437.233 3.650 50 0 IHAARN Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCc1c(Cl)cccc1Cl ZINC000001040021 555609717 /nfs/dbraw/zinc/60/97/17/555609717.db2.gz KKRZOMKPHVEYII-UHFFFAOYSA-N 0 0 434.312 3.845 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3c(C)cccc3CC)C2=O)cc1 ZINC000001051838 555613319 /nfs/dbraw/zinc/61/33/19/555613319.db2.gz WIPDZAXCVOQVBH-LJQANCHMSA-N 0 0 426.538 3.960 50 0 IHAARN COC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OC ZINC000001057783 555614836 /nfs/dbraw/zinc/61/48/36/555614836.db2.gz HZIOHETURKBDRS-SFHVURJKSA-N 0 0 441.285 3.648 50 0 IHAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000001064050 555617272 /nfs/dbraw/zinc/61/72/72/555617272.db2.gz VRAQJANXMAOJHA-UHFFFAOYSA-N 0 0 449.503 3.681 50 0 biogenic IHAARN CCOC(=O)C1=CN(C2CCCC2)C=C(C(=O)OCC)C1c1ccc(OC)cc1OC ZINC000001064410 555617616 /nfs/dbraw/zinc/61/76/16/555617616.db2.gz YFNHOKCAGCCUEK-UHFFFAOYSA-N 0 0 429.513 3.940 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000001072247 555621545 /nfs/dbraw/zinc/62/15/45/555621545.db2.gz PSQQZBWYZUUPFB-OAHLLOKOSA-N 0 0 430.888 3.905 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000001072324 555621863 /nfs/dbraw/zinc/62/18/63/555621863.db2.gz DGUMQZBBSIWZNQ-NSHDSACASA-N 0 0 440.668 3.936 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000001099287 555628466 /nfs/dbraw/zinc/62/84/66/555628466.db2.gz ZQTZYEVUPOEHDJ-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 ZINC000001114776 555633680 /nfs/dbraw/zinc/63/36/80/555633680.db2.gz GJWLBUQJIONCPB-FQEVSTJZSA-N 0 0 435.505 3.819 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000001116077 555634481 /nfs/dbraw/zinc/63/44/81/555634481.db2.gz OBXGFAOTEHBATK-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCCCCC2)s1 ZINC000001118111 555635513 /nfs/dbraw/zinc/63/55/13/555635513.db2.gz GOYKMYZMOFFBBL-UHFFFAOYSA-N 0 0 442.628 3.848 50 0 IHAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cccc(O)c1 ZINC000001120060 555637283 /nfs/dbraw/zinc/63/72/83/555637283.db2.gz LOIRRHRXFPCDFO-UHFFFAOYSA-N 0 0 437.492 3.894 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001127002 555641655 /nfs/dbraw/zinc/64/16/55/555641655.db2.gz OVDNMEQFCRZBSQ-UHFFFAOYSA-N 0 0 426.494 3.747 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001127980 555642280 /nfs/dbraw/zinc/64/22/80/555642280.db2.gz CDJMHRNCEQMGCZ-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001129677 555643684 /nfs/dbraw/zinc/64/36/84/555643684.db2.gz ROAIZVAXIPSFEH-UHFFFAOYSA-N 0 0 426.563 3.938 50 0 IHAARN Cc1ccccc1CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001142196 555650650 /nfs/dbraw/zinc/65/06/50/555650650.db2.gz YRVLGJZVSZBOLS-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000001143931 555652062 /nfs/dbraw/zinc/65/20/62/555652062.db2.gz OLJPSNNRYYGYDT-UHFFFAOYSA-N 0 0 445.585 3.601 50 0 IHAARN COc1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc2)c1 ZINC000001149260 555655523 /nfs/dbraw/zinc/65/55/23/555655523.db2.gz LWIQSZXNXGLAAT-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000001150128 555655818 /nfs/dbraw/zinc/65/58/18/555655818.db2.gz UIGWQJLPGVBGKG-CYBMUJFWSA-N 0 0 445.368 3.863 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000001150250 555656193 /nfs/dbraw/zinc/65/61/93/555656193.db2.gz AUEDCWDGZGIMQP-UHFFFAOYSA-N 0 0 438.549 3.900 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000001173339 555668181 /nfs/dbraw/zinc/66/81/81/555668181.db2.gz XVZLXAUAOVDPKG-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN COC(=O)c1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc(C(=O)OC)c1 ZINC000001185037 555673722 /nfs/dbraw/zinc/67/37/22/555673722.db2.gz LCARSTTTWSCMJO-UHFFFAOYSA-N 0 0 426.252 3.893 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001203429 555679359 /nfs/dbraw/zinc/67/93/59/555679359.db2.gz YNJPQRZWTCHSAH-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(COc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000001211812 555682507 /nfs/dbraw/zinc/68/25/07/555682507.db2.gz RCVKPERXWXTZSO-KRWDZBQOSA-N 0 0 443.219 3.715 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2C2CC2)cc1 ZINC000001441722 555697825 /nfs/dbraw/zinc/69/78/25/555697825.db2.gz KRRCNUCYJMOLBV-IBGZPJMESA-N 0 0 427.501 3.718 50 0 IHAARN Cc1c(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001446738 555699222 /nfs/dbraw/zinc/69/92/22/555699222.db2.gz SCTIVKURCNWVKD-HNNXBMFYSA-N 0 0 433.767 3.755 50 0 IHAARN CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)cc1 ZINC000001457751 555700181 /nfs/dbraw/zinc/70/01/81/555700181.db2.gz OEEZFGNYPDBWMV-UHFFFAOYSA-N 0 0 437.492 3.807 50 0 IHAARN COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC000001790946 555715957 /nfs/dbraw/zinc/71/59/57/555715957.db2.gz MUUXSAYFBUKYBW-UHFFFAOYSA-N 0 0 434.492 3.694 50 0 IHAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(Cc1ccccn1)C2 ZINC000071890369 555744178 /nfs/dbraw/zinc/74/41/78/555744178.db2.gz CDXXBYKUCKKTAV-UHFFFAOYSA-N 0 0 442.498 3.920 50 0 IHAARN O=S(=O)(c1cccc(F)c1)N1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890423 555744701 /nfs/dbraw/zinc/74/47/01/555744701.db2.gz HGOPRPKZXLAZSK-GOSISDBHSA-N 0 0 431.464 3.973 50 0 IHAARN O=S(=O)(Cc1ccccc1)N1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890646 555748759 /nfs/dbraw/zinc/74/87/59/555748759.db2.gz OVDYCVABMRVCIH-LJQANCHMSA-N 0 0 427.501 3.975 50 0 IHAARN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1cccnc1 ZINC000002337147 555769838 /nfs/dbraw/zinc/76/98/38/555769838.db2.gz DUJBMXLIDAVUGC-UHFFFAOYSA-N 0 0 440.273 3.649 50 0 IHAARN COc1cc2[nH]c(=S)n(NC(=O)C(c3ccccc3)c3ccccc3)c(=O)c2cc1OC ZINC000002358438 555771690 /nfs/dbraw/zinc/77/16/90/555771690.db2.gz GJPPBXITVWANQU-UHFFFAOYSA-N 0 0 447.516 3.978 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000002395973 555775450 /nfs/dbraw/zinc/77/54/50/555775450.db2.gz KQLRHFCPRHQTHO-UHFFFAOYSA-N 0 0 438.465 3.697 50 0 IHAARN O=C(CSC(=S)N1CCCCC1)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O ZINC000002435210 555778749 /nfs/dbraw/zinc/77/87/49/555778749.db2.gz HVJDJYQZRDPUMI-INIZCTEOSA-N 0 0 440.594 3.832 50 0 IHAARN CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O ZINC000002440952 555779352 /nfs/dbraw/zinc/77/93/52/555779352.db2.gz BNYCRLWHCMXQEU-HNNXBMFYSA-N 0 0 428.583 3.688 50 0 IHAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000002443418 555779652 /nfs/dbraw/zinc/77/96/52/555779652.db2.gz YZOONKJVIJUCRT-UHFFFAOYSA-N 0 0 444.944 3.668 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000002444806 555780055 /nfs/dbraw/zinc/78/00/55/555780055.db2.gz OUQTVJSOCQQZPV-UHFFFAOYSA-N 0 0 442.541 3.933 50 0 IHAARN CC(=O)Oc1c(C)cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1C ZINC000002533666 555786362 /nfs/dbraw/zinc/78/63/62/555786362.db2.gz XKDRKQOMBGXQJG-LICLKQGHSA-N 0 0 425.897 3.561 50 0 IHAARN Cc1ccc(N2CCN(Cc3cccc(C(=O)NCCc4ccccn4)c3)CC2)cc1C ZINC000034668117 555792385 /nfs/dbraw/zinc/79/23/85/555792385.db2.gz DFIALJUVLDFHGD-UHFFFAOYSA-N 0 0 428.580 3.993 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1csc(CN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000034669129 555792772 /nfs/dbraw/zinc/79/27/72/555792772.db2.gz IMAAYZDCPFWYTA-UHFFFAOYSA-N 0 0 428.508 3.674 50 0 IHAARN COc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(Cl)cc4)co3)CC2)cc1 ZINC000034678287 555797047 /nfs/dbraw/zinc/79/70/47/555797047.db2.gz GONHHUZGOXUJGO-UHFFFAOYSA-N 0 0 440.931 3.907 50 0 IHAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000002707038 555800690 /nfs/dbraw/zinc/80/06/90/555800690.db2.gz YKRSDAVFPMNPMP-GFCCVEGCSA-N 0 0 439.796 3.790 50 0 IHAARN COc1ccc(CN2CCO[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1OC ZINC000034687200 555803102 /nfs/dbraw/zinc/80/31/02/555803102.db2.gz LVHGTGQLANIAJE-JOCHJYFZSA-N 0 0 426.557 3.703 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(F)cc2)c(=O)n1Cc1ccccc1F ZINC000034693116 555805832 /nfs/dbraw/zinc/80/58/32/555805832.db2.gz YDFYOJAGKKDZGD-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NCC(=O)c1ccccc1 ZINC000002812651 555827809 /nfs/dbraw/zinc/82/78/09/555827809.db2.gz GWDJOEQNEOLDLB-UHFFFAOYSA-N 0 0 431.876 3.930 50 0 IHAARN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000002836460 555833177 /nfs/dbraw/zinc/83/31/77/555833177.db2.gz YCEODOLLLLAEJG-UHFFFAOYSA-N 0 0 445.313 3.727 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000002842135 555836085 /nfs/dbraw/zinc/83/60/85/555836085.db2.gz ARPZYSMVCSJJLW-UHFFFAOYSA-N 0 0 445.591 3.696 50 0 IHAARN Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002846783 555837976 /nfs/dbraw/zinc/83/79/76/555837976.db2.gz QCVIRJQIFSJLLW-RPWUZVMVSA-N 0 0 431.444 3.984 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002849596 555838633 /nfs/dbraw/zinc/83/86/33/555838633.db2.gz DNYYTVDXDZLJBS-UHFFFAOYSA-N 0 0 433.327 3.862 50 0 IHAARN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000002852417 555839892 /nfs/dbraw/zinc/83/98/92/555839892.db2.gz LNPJMSJSVBVHFL-UHFFFAOYSA-N 0 0 445.368 3.623 50 0 IHAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)OCc3ccccc3)cc2oc1=O ZINC000002858090 555842746 /nfs/dbraw/zinc/84/27/46/555842746.db2.gz FYXPAAUICNSGQB-UHFFFAOYSA-N 0 0 430.840 3.593 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000002869528 555849068 /nfs/dbraw/zinc/84/90/68/555849068.db2.gz PWEVYUBNQHLJDF-UHFFFAOYSA-N 0 0 446.475 3.949 50 0 IHAARN Cc1ccccc1OCCNC(=O)c1ccc(C(=O)NCCOc2ccccc2C)s1 ZINC000002875538 555852032 /nfs/dbraw/zinc/85/20/32/555852032.db2.gz GELVOXWQBICXPJ-UHFFFAOYSA-N 0 0 438.549 3.983 50 0 IHAARN CCOc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3CC)cc1 ZINC000002881799 555855940 /nfs/dbraw/zinc/85/59/40/555855940.db2.gz PEJVRBQTDJYWBX-UHFFFAOYSA-N 0 0 438.505 3.960 50 0 IHAARN CCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002886986 555858334 /nfs/dbraw/zinc/85/83/34/555858334.db2.gz KBFGNNIZVCNBAU-UHFFFAOYSA-N 0 0 431.739 3.752 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000002904036 555860867 /nfs/dbraw/zinc/86/08/67/555860867.db2.gz PBAGIEJNEFCCHB-NSHDSACASA-N 0 0 438.299 3.752 50 0 IHAARN CC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002958488 555867287 /nfs/dbraw/zinc/86/72/87/555867287.db2.gz FONYMRJOBHHPQP-UHFFFAOYSA-N 0 0 439.375 3.555 50 0 IHAARN CC[C@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000002962619 555868023 /nfs/dbraw/zinc/86/80/23/555868023.db2.gz VWSZQOZCIIIWEG-AWEZNQCLSA-N 0 0 425.348 3.559 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000002979050 555871257 /nfs/dbraw/zinc/87/12/57/555871257.db2.gz FESAXIMBNCDHTM-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034724342 555881403 /nfs/dbraw/zinc/88/14/03/555881403.db2.gz VRKHBSOPUMPFPR-GOSISDBHSA-N 0 0 441.959 3.972 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cnn3c2nccc3-c2ccc(C)c(C)c2)CC1 ZINC000034786272 555896611 /nfs/dbraw/zinc/89/66/11/555896611.db2.gz DEOBEFLWFOANNQ-UHFFFAOYSA-N 0 0 441.535 3.984 50 0 IHAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccsc2)CC3)CC1 ZINC000034755777 555900996 /nfs/dbraw/zinc/90/09/96/555900996.db2.gz DPTUCAMCENGZEX-UHFFFAOYSA-N 0 0 439.560 3.780 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829871 555911568 /nfs/dbraw/zinc/91/15/68/555911568.db2.gz VGYANSGEGOPGGT-SBUREZEXSA-N 0 0 443.588 3.550 50 0 IHAARN CCCC(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034787898 555916085 /nfs/dbraw/zinc/91/60/85/555916085.db2.gz WMKPZOCNZNQUIB-RUZDIDTESA-N 0 0 439.625 3.865 50 0 IHAARN Cc1ccc(CC(=O)N2CCc3n[nH]c(C(=O)N[C@@H]4CCCc5ccccc54)c3C2)cc1 ZINC000034797175 555918382 /nfs/dbraw/zinc/91/83/82/555918382.db2.gz NMYQUEFIMXHLNZ-JOCHJYFZSA-N 0 0 428.536 3.653 50 0 IHAARN NC(=O)[C@H]1CCCCN1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000034868094 555925774 /nfs/dbraw/zinc/92/57/74/555925774.db2.gz OWILTCXTEWYWNM-NQIIRXRSSA-N 0 0 431.330 3.897 50 0 IHAARN CCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000034899593 555928982 /nfs/dbraw/zinc/92/89/82/555928982.db2.gz PXXFJCVLHOKSBK-FGZHOGPDSA-N 0 0 427.589 3.663 50 0 IHAARN CCCCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)C1 ZINC000034900451 555929352 /nfs/dbraw/zinc/92/93/52/555929352.db2.gz PTJHHCAMGYYGQP-MDNUFGMLSA-N 0 0 441.616 3.971 50 0 IHAARN COc1cccc(OC)c1C(=O)N1[C@H](C(=O)Nc2ccccc2F)COC12CCCCC2 ZINC000034920867 555931575 /nfs/dbraw/zinc/93/15/75/555931575.db2.gz ZDSAQKLIOBTMFS-SFHVURJKSA-N 0 0 442.487 3.983 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1C ZINC000003462945 555935895 /nfs/dbraw/zinc/93/58/95/555935895.db2.gz QUPLTLVLYNYTQZ-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003620257 555941106 /nfs/dbraw/zinc/94/11/06/555941106.db2.gz QFVXABOGDJJWCX-UHFFFAOYSA-N 0 0 441.487 3.857 50 0 IHAARN Cc1cccc(C)c1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000003664832 555944794 /nfs/dbraw/zinc/94/47/94/555944794.db2.gz XCYJVPKXCKAAMI-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN CCOCCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670201 555945787 /nfs/dbraw/zinc/94/57/87/555945787.db2.gz RNKZZRWHGXMGRD-FQEVSTJZSA-N 0 0 438.311 3.733 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000004291170 555983436 /nfs/dbraw/zinc/98/34/36/555983436.db2.gz PJDVADZLCNDWSM-UHFFFAOYSA-N 0 0 446.503 3.853 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000005478707 556055894 /nfs/dbraw/zinc/05/58/94/556055894.db2.gz WLZUJSNOWMPQSH-UHFFFAOYSA-N 0 0 425.558 3.982 50 0 IHAARN Cc1ccc2cccc(OS(=O)(=O)c3ccc(I)cc3)c2n1 ZINC000006188163 556079496 /nfs/dbraw/zinc/07/94/96/556079496.db2.gz VVUVTNUSCBFPPF-UHFFFAOYSA-N 0 0 425.247 3.916 50 0 IHAARN COc1cc(-c2ccc(/C=c3\sc4nc5cccnc5n4c3=O)o2)c(OC)cc1Cl ZINC000006181132 556079595 /nfs/dbraw/zinc/07/95/95/556079595.db2.gz OUMDRKAYZJZPIM-LSCVHKIXSA-N 0 0 439.880 3.783 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSc2ccccn2)cc1)c1ccccc1 ZINC000006328233 556085290 /nfs/dbraw/zinc/08/52/90/556085290.db2.gz KUMFXOXQFIFGBF-UHFFFAOYSA-N 0 0 441.578 3.570 50 0 IHAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000006573925 556095232 /nfs/dbraw/zinc/09/52/32/556095232.db2.gz PEEROKBAFPSORK-ROUUACIJSA-N 0 0 445.585 3.625 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC ZINC000010585841 556115162 /nfs/dbraw/zinc/11/51/62/556115162.db2.gz HYQLVLCBUGQZKH-CYBMUJFWSA-N 0 0 426.498 3.549 50 0 IHAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1 ZINC000002692141 556120305 /nfs/dbraw/zinc/12/03/05/556120305.db2.gz PWFOQWONFBMAMY-UHFFFAOYSA-N 0 0 431.477 3.863 50 0 IHAARN O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002723564 556128840 /nfs/dbraw/zinc/12/88/40/556128840.db2.gz ZNRXLFHDIJWSCE-UHFFFAOYSA-N 0 0 432.527 3.615 50 0 IHAARN CCn1cc(/C=C2/N=C(SCC(=O)Nc3cccc4ccccc43)N(CC)C2=O)cn1 ZINC000002783417 556138348 /nfs/dbraw/zinc/13/83/48/556138348.db2.gz MGVKAIXLGGFPHY-UDWIEESQSA-N 0 0 433.537 3.987 50 0 IHAARN CCCc1cc2c(nc(C)n(NC(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c2=O)s1 ZINC000002778691 556141006 /nfs/dbraw/zinc/14/10/06/556141006.db2.gz DSALFEAFRGHLOQ-JTQLQIEISA-N 0 0 427.452 3.574 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002800640 556142491 /nfs/dbraw/zinc/14/24/91/556142491.db2.gz WSQBAXKMBXMQAV-CYBMUJFWSA-N 0 0 446.422 3.764 50 0 IHAARN Cc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c(C)c1Cl ZINC000002793944 556144997 /nfs/dbraw/zinc/14/49/97/556144997.db2.gz IALNXDDZLKIGNK-UHFFFAOYSA-N 0 0 426.270 3.927 50 0 IHAARN CCn1ncc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)c1C ZINC000002794182 556145057 /nfs/dbraw/zinc/14/50/57/556145057.db2.gz GXDJSRUGJLAGIW-UHFFFAOYSA-N 0 0 431.345 3.555 50 0 IHAARN CC[C@H](C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1)n1cc(Br)cn1 ZINC000002808652 556146623 /nfs/dbraw/zinc/14/66/23/556146623.db2.gz LOELGCCHZRUXNJ-MRXNPFEDSA-N 0 0 444.362 3.759 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc4c(c31)CCC4)CCC2 ZINC000002889050 556147474 /nfs/dbraw/zinc/14/74/74/556147474.db2.gz YDCDBBQQUVJZMG-UHFFFAOYSA-N 0 0 430.580 3.560 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1ccc2ccccc2c1 ZINC000010593081 556150436 /nfs/dbraw/zinc/15/04/36/556150436.db2.gz LCVVAMPWTGVVNW-UHFFFAOYSA-N 0 0 440.883 3.512 50 0 IHAARN Cn1cc(C(=O)NC2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)cn1 ZINC000071917594 556151273 /nfs/dbraw/zinc/15/12/73/556151273.db2.gz BZSZENKDXDSTKG-QGZVFWFLSA-N 0 0 428.602 3.667 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 ZINC000003022830 556157353 /nfs/dbraw/zinc/15/73/53/556157353.db2.gz QTKNBCLTLZUXSS-UHFFFAOYSA-N 0 0 442.512 3.998 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000008383834 556159722 /nfs/dbraw/zinc/15/97/22/556159722.db2.gz HKFWLTJYYSMFPT-PXNSSMCTSA-N 0 0 437.492 3.729 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)NCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000008399999 556165661 /nfs/dbraw/zinc/16/56/61/556165661.db2.gz ZVSHISOEPMAPLF-UHFFFAOYSA-N 0 0 440.584 3.972 50 0 IHAARN O=c1/c(=C\c2ccncc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417869 556167677 /nfs/dbraw/zinc/16/76/77/556167677.db2.gz ATXHTPXZIHDDQC-FGGAIWKESA-N 0 0 427.554 3.775 50 0 IHAARN Brc1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 ZINC000008426304 556168863 /nfs/dbraw/zinc/16/88/63/556168863.db2.gz JHJZBFANBWEAFI-UHFFFAOYSA-N 0 0 441.314 3.925 50 0 IHAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000008433436 556172740 /nfs/dbraw/zinc/17/27/40/556172740.db2.gz CKRJIMVKHPSCIZ-HZPDHXFCSA-N 0 0 430.835 3.971 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008449736 556181029 /nfs/dbraw/zinc/18/10/29/556181029.db2.gz PHEFYHKLCLQMRK-XFDIAKHOSA-N 0 0 431.488 3.879 50 0 IHAARN C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(N)=O)n1-c1ccccc1 ZINC000008456818 556186208 /nfs/dbraw/zinc/18/62/08/556186208.db2.gz COPWLTCODUORDI-LBPRGKRZSA-N 0 0 432.347 3.780 50 0 IHAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c(C)c1 ZINC000008586926 556188266 /nfs/dbraw/zinc/18/82/66/556188266.db2.gz GIYYXGAJSNKQPG-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN CCc1ccc(-n2nc(CO)c(C(=O)NCC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008613684 556191922 /nfs/dbraw/zinc/19/19/22/556191922.db2.gz SKKZOKWSEUKILR-UHFFFAOYSA-N 0 0 426.520 3.884 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2nc(N)n[nH]2)cc1 ZINC000008685884 556199996 /nfs/dbraw/zinc/19/99/96/556199996.db2.gz HOYFLSGPNXEBOT-MOPGFXCFSA-N 0 0 437.550 3.715 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000008741959 556207354 /nfs/dbraw/zinc/20/73/54/556207354.db2.gz SILXTCBIXUXNEX-JKSUJKDBSA-N 0 0 441.734 3.715 50 0 IHAARN Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2CCCO)c1 ZINC000008742490 556207440 /nfs/dbraw/zinc/20/74/40/556207440.db2.gz MWJZHFDEFNTLEJ-RMKNXTFCSA-N 0 0 446.288 3.862 50 0 IHAARN O=C1COc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 ZINC000008815674 556217106 /nfs/dbraw/zinc/21/71/06/556217106.db2.gz HERFYOHOQFYPBL-UHFFFAOYSA-N 0 0 440.321 3.856 50 0 IHAARN CCOc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)OC)cc(OCC)c1OCC ZINC000008916933 556232804 /nfs/dbraw/zinc/23/28/04/556232804.db2.gz AOXCKKIPPMPFOI-UHFFFAOYSA-N 0 0 446.525 3.796 50 0 IHAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccccn3)c2N1 ZINC000009060614 556244223 /nfs/dbraw/zinc/24/42/23/556244223.db2.gz XQQPPTYTLWMPJX-WMZOPIPTSA-N 0 0 431.418 3.877 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)s1 ZINC000009147010 556249439 /nfs/dbraw/zinc/24/94/39/556249439.db2.gz PEZWEXDWOGPALK-UHFFFAOYSA-N 0 0 437.554 3.864 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009197696 556255838 /nfs/dbraw/zinc/25/58/38/556255838.db2.gz WYMFHUAREPBESY-UXHICEINSA-N 0 0 439.541 3.646 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009197685 556255846 /nfs/dbraw/zinc/25/58/46/556255846.db2.gz WYMFHUAREPBESY-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1 ZINC000009198083 556256243 /nfs/dbraw/zinc/25/62/43/556256243.db2.gz FGVBBZBFKVAMLJ-KRWDZBQOSA-N 0 0 449.536 3.886 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1nnc(C)c2c(C)n(-c3ccccc3)nc21 ZINC000009224502 556258409 /nfs/dbraw/zinc/25/84/09/556258409.db2.gz YRXZCKRZORXTKW-UHFFFAOYSA-N 0 0 447.564 3.892 50 0 IHAARN COc1ccc(-c2nnn(C3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1OC ZINC000009226801 556260385 /nfs/dbraw/zinc/26/03/85/556260385.db2.gz RRRWDFXAZVTKRS-UHFFFAOYSA-N 0 0 442.907 3.880 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009236723 556264137 /nfs/dbraw/zinc/26/41/37/556264137.db2.gz POOQXEMQTBWHRC-DLBZAZTESA-N 0 0 433.896 3.785 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000009236859 556264177 /nfs/dbraw/zinc/26/41/77/556264177.db2.gz FBEAFPRVGLIXEQ-MSOLQXFVSA-N 0 0 429.933 3.955 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239268 556265799 /nfs/dbraw/zinc/26/57/99/556265799.db2.gz RUXIBTQKNSMWBW-QZTJIDSGSA-N 0 0 429.933 3.900 50 0 IHAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O ZINC000009260952 556268648 /nfs/dbraw/zinc/26/86/48/556268648.db2.gz XRLVWWSTGMHDKB-PKTIUJEHSA-N 0 0 434.695 3.709 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009295128 556274846 /nfs/dbraw/zinc/27/48/46/556274846.db2.gz OLWMFSFCFAQUDG-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCC(Cc2ccccc2)CC1 ZINC000013683837 556274889 /nfs/dbraw/zinc/27/48/89/556274889.db2.gz PZFXVQZPORKHBP-UHFFFAOYSA-N 0 0 445.563 3.983 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009304794 556276598 /nfs/dbraw/zinc/27/65/98/556276598.db2.gz ILCHIIFNDOHHNR-GCJKJVERSA-N 0 0 447.487 3.921 50 0 IHAARN COc1cccc(C(=O)C[C@@]2(NC(C)=O)c3ccccc3N(Cc3ccccc3)C2=O)c1 ZINC000009306519 556276946 /nfs/dbraw/zinc/27/69/46/556276946.db2.gz PWDFFMUXBDDCAP-AREMUKBSSA-N 0 0 428.488 3.846 50 0 IHAARN CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 ZINC000009329188 556282691 /nfs/dbraw/zinc/28/26/91/556282691.db2.gz VAZZJRYGANPVCX-UHFFFAOYSA-N 0 0 431.989 3.979 50 0 IHAARN CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009418953 556289274 /nfs/dbraw/zinc/28/92/74/556289274.db2.gz JNMHSYPRJSCPLO-SFTDATJTSA-N 0 0 428.579 3.597 50 0 IHAARN COCCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc3c2C1 ZINC000013722112 556290994 /nfs/dbraw/zinc/29/09/94/556290994.db2.gz RKMUCSOQZWMKGJ-UHFFFAOYSA-N 0 0 425.437 3.560 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)C2 ZINC000009482370 556293893 /nfs/dbraw/zinc/29/38/93/556293893.db2.gz CSVHRYILDFIYJK-QFIPXVFZSA-N 0 0 448.494 3.726 50 0 IHAARN Cc1csc(=O)n1CCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000032740748 556301867 /nfs/dbraw/zinc/30/18/67/556301867.db2.gz MWNHLZDAQGXVHX-UHFFFAOYSA-N 0 0 432.933 3.893 50 0 IHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000013768460 556304284 /nfs/dbraw/zinc/30/42/84/556304284.db2.gz IRDDNVUFRRBXFA-FUHWJXTLSA-N 0 0 446.290 3.599 50 0 IHAARN CCc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009667482 556304844 /nfs/dbraw/zinc/30/48/44/556304844.db2.gz GZVIVYGOBRCIFM-NRFANRHFSA-N 0 0 433.552 3.788 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000013770300 556304922 /nfs/dbraw/zinc/30/49/22/556304922.db2.gz ILCHIIFNDOHHNR-AVRDEDQJSA-N 0 0 447.487 3.921 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1sc2ccccc2c1Cl ZINC000009715589 556307241 /nfs/dbraw/zinc/30/72/41/556307241.db2.gz ISOONBWHOUDBBS-UHFFFAOYSA-N 0 0 436.942 3.828 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)cc1C ZINC000009830018 556310012 /nfs/dbraw/zinc/31/00/12/556310012.db2.gz VZLKRRUMFAIFMX-UHFFFAOYSA-N 0 0 441.944 3.981 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3ccccc3OC)nc3ncccc3c2=O)c1 ZINC000009830393 556310715 /nfs/dbraw/zinc/31/07/15/556310715.db2.gz PRIMKUIBWZTJRQ-UHFFFAOYSA-N 0 0 448.504 3.529 50 0 IHAARN COc1ccccc1CNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn21 ZINC000009831157 556312730 /nfs/dbraw/zinc/31/27/30/556312730.db2.gz XJZJJFYVIGHACQ-UHFFFAOYSA-N 0 0 442.479 3.977 50 0 IHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1OC ZINC000009906959 556316338 /nfs/dbraw/zinc/31/63/38/556316338.db2.gz NOKYILGCQCNDPS-GOSISDBHSA-N 0 0 425.876 3.876 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 ZINC000009933983 556317587 /nfs/dbraw/zinc/31/75/87/556317587.db2.gz XSLKUFCBTMMURL-OAQYLSRUSA-N 0 0 437.496 3.812 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000009934054 556317795 /nfs/dbraw/zinc/31/77/95/556317795.db2.gz ICDCRYXATDQXKX-NRFANRHFSA-N 0 0 449.507 3.972 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(Br)cc1 ZINC000009971462 556319492 /nfs/dbraw/zinc/31/94/92/556319492.db2.gz ANZOTWKXNPMISJ-UHFFFAOYSA-N 0 0 433.254 3.609 50 0 IHAARN CCOc1cc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc(OCC)c1OCC ZINC000009975296 556319845 /nfs/dbraw/zinc/31/98/45/556319845.db2.gz QNHJBQSCNBDCPB-UHFFFAOYSA-N 0 0 434.514 3.724 50 0 IHAARN Cc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000032753376 556322594 /nfs/dbraw/zinc/32/25/94/556322594.db2.gz OKKKZHGATYCFFW-UHFFFAOYSA-N 0 0 431.842 3.789 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000013880196 556325333 /nfs/dbraw/zinc/32/53/33/556325333.db2.gz YZMBHOUCIHJVLT-WEVVVXLNSA-N 0 0 436.464 3.615 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ncc(-c2ccc3c(c2)OCO3)n1C ZINC000013880494 556325974 /nfs/dbraw/zinc/32/59/74/556325974.db2.gz VJUIOBAPQWFKMV-KRWDZBQOSA-N 0 0 448.523 3.672 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032768565 556333578 /nfs/dbraw/zinc/33/35/78/556333578.db2.gz ZVPBXZWXPOKJTB-GDBMZVCRSA-N 0 0 427.526 3.503 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000011143067 556339358 /nfs/dbraw/zinc/33/93/58/556339358.db2.gz UECYZYOWEJGOQV-UHFFFAOYSA-N 0 0 447.564 3.720 50 0 IHAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@@H](c1c(Br)cnn1C)NC3=O ZINC000013958207 556345572 /nfs/dbraw/zinc/34/55/72/556345572.db2.gz DHNOKZVGVOAOOT-GFCCVEGCSA-N 0 0 446.252 3.974 50 0 IHAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)N1 ZINC000013960041 556346980 /nfs/dbraw/zinc/34/69/80/556346980.db2.gz BQRVWFQTSYBUHJ-OAHLLOKOSA-N 0 0 437.205 3.699 50 0 IHAARN O=C(c1ccc(COc2ccccc2Br)o1)N1NC=C[C@]1(O)C(F)(F)F ZINC000013960174 556347275 /nfs/dbraw/zinc/34/72/75/556347275.db2.gz TYEAHHVJGUWRGH-HNNXBMFYSA-N 0 0 433.180 3.704 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781473 556349206 /nfs/dbraw/zinc/34/92/06/556349206.db2.gz SPKUQJMVPBZLSA-QEEYODRMSA-N 0 0 428.579 3.849 50 0 IHAARN CN(Cc1nnc2n1CCCCC2)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000032786755 556349935 /nfs/dbraw/zinc/34/99/35/556349935.db2.gz VLSDUYKNNCDWMC-UHFFFAOYSA-N 0 0 431.949 3.966 50 0 IHAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032784428 556350087 /nfs/dbraw/zinc/35/00/87/556350087.db2.gz MEDMKZXXPCIMBL-GOSISDBHSA-N 0 0 426.563 3.631 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)NCCc3cccc(Cl)c3)CCC(=O)N2)ccc1F ZINC000011782616 556351049 /nfs/dbraw/zinc/35/10/49/556351049.db2.gz IMQPVOWDLUEUJT-HSZRJFAPSA-N 0 0 432.923 3.818 50 0 IHAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccccc1Cl ZINC000013992392 556353147 /nfs/dbraw/zinc/35/31/47/556353147.db2.gz FCWSIKFXMPQMKN-UHFFFAOYSA-N 0 0 433.895 3.698 50 0 IHAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCC(F)(F)F)c21 ZINC000011789607 556354946 /nfs/dbraw/zinc/35/49/46/556354946.db2.gz MFNAOZWEKDIKSJ-UHFFFAOYSA-N 0 0 434.418 3.982 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5cccs5)no4)C3=O)ccc2c1 ZINC000014017656 556356048 /nfs/dbraw/zinc/35/60/48/556356048.db2.gz NXEALNRTIWFHMR-JOCHJYFZSA-N 0 0 434.477 3.927 50 0 IHAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)c1 ZINC000011791411 556356071 /nfs/dbraw/zinc/35/60/71/556356071.db2.gz IQXTZJMQTSXAFO-UHFFFAOYSA-N 0 0 441.557 3.569 50 0 IHAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)cc1Cl ZINC000014020685 556356711 /nfs/dbraw/zinc/35/67/11/556356711.db2.gz ZHUXYCYKJIOXMS-NRFANRHFSA-N 0 0 427.932 3.583 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)/C=C/c2cccs2)C3)cc1 ZINC000011813623 556357283 /nfs/dbraw/zinc/35/72/83/556357283.db2.gz VZAKPVZXKXNXDO-ZPHJMFTNSA-N 0 0 439.558 3.952 50 0 IHAARN CNc1nnc(S[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)s1 ZINC000014069793 556360373 /nfs/dbraw/zinc/36/03/73/556360373.db2.gz YFABAAGLUDFDFS-GFCCVEGCSA-N 0 0 443.554 3.960 50 0 IHAARN COc1cc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc(OC)c1OC ZINC000032796235 556361083 /nfs/dbraw/zinc/36/10/83/556361083.db2.gz AUNFKJIELZPDKT-GFCCVEGCSA-N 0 0 438.402 3.723 50 0 IHAARN Cc1cccc([C@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 ZINC000032796551 556361853 /nfs/dbraw/zinc/36/18/53/556361853.db2.gz KDKJWIOCOXCRQA-PMACEKPBSA-N 0 0 445.947 3.947 50 0 IHAARN Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000032797223 556363454 /nfs/dbraw/zinc/36/34/54/556363454.db2.gz KGENYLWKXOIYMS-HNNXBMFYSA-N 0 0 435.977 3.679 50 0 IHAARN O=C(NCc1cn2ccccc2n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014094546 556366579 /nfs/dbraw/zinc/36/65/79/556366579.db2.gz NHZFGIOKLMQDEG-UHFFFAOYSA-N 0 0 437.853 3.934 50 0 IHAARN O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859123 556367790 /nfs/dbraw/zinc/36/77/90/556367790.db2.gz OIZHACYCJSJBLX-CPUCHLNUSA-N 0 0 432.320 3.809 50 0 IHAARN CCOC(=O)[C@@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000011859199 556367876 /nfs/dbraw/zinc/36/78/76/556367876.db2.gz ZSZKOKPABFKBKF-QKLQHJQFSA-N 0 0 438.402 3.605 50 0 IHAARN Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011878470 556370982 /nfs/dbraw/zinc/37/09/82/556370982.db2.gz FWAVDTDJIQMTEX-IBGZPJMESA-N 0 0 430.556 3.505 50 0 IHAARN Cn1c(COc2ccc(F)c(Cl)c2)nnc1SCC(=O)Nc1cccnc1Cl ZINC000014120332 556371968 /nfs/dbraw/zinc/37/19/68/556371968.db2.gz RYJWLTIQSBSIOQ-UHFFFAOYSA-N 0 0 442.303 3.966 50 0 IHAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCN(CC)CC3)cc(NC(C)=O)c21 ZINC000011881042 556372887 /nfs/dbraw/zinc/37/28/87/556372887.db2.gz RNZDHBDLUMPWIC-UHFFFAOYSA-N 0 0 437.519 3.598 50 0 IHAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)NCCCSC)c3C3CC3)n2)cc1F ZINC000011909864 556374661 /nfs/dbraw/zinc/37/46/61/556374661.db2.gz CFPRYMLAAIQEHF-UHFFFAOYSA-N 0 0 441.532 3.837 50 0 IHAARN O=C(C(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1)c1ccco1 ZINC000011933331 556376965 /nfs/dbraw/zinc/37/69/65/556376965.db2.gz NRRGBZRTCSTFSZ-HXUWFJFHSA-N 0 0 428.504 3.521 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000014180467 556382277 /nfs/dbraw/zinc/38/22/77/556382277.db2.gz MFFBAQNZLQKWNB-UHFFFAOYSA-N 0 0 443.551 3.977 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)N(C)C ZINC000014183713 556383522 /nfs/dbraw/zinc/38/35/22/556383522.db2.gz BGRHAYHIGQMXJA-QFIPXVFZSA-N 0 0 448.567 3.554 50 0 IHAARN CN(Cc1ccco1)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000012035690 556389828 /nfs/dbraw/zinc/38/98/28/556389828.db2.gz BFNCUOAHJOAVGT-QHCPKHFHSA-N 0 0 428.916 3.921 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)CSc3ncnc4ccccc43)CC2)cc1 ZINC000014199118 556390301 /nfs/dbraw/zinc/39/03/01/556390301.db2.gz ZMXNVLDQPXFGSK-UHFFFAOYSA-N 0 0 434.565 3.585 50 0 IHAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000014201539 556391977 /nfs/dbraw/zinc/39/19/77/556391977.db2.gz ZQGQFYFICLKWPI-UHFFFAOYSA-N 0 0 443.594 3.691 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000012054193 556393565 /nfs/dbraw/zinc/39/35/65/556393565.db2.gz YOWCMSYHRJVTRK-KRWDZBQOSA-N 0 0 432.517 3.610 50 0 IHAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC000012057857 556395006 /nfs/dbraw/zinc/39/50/06/556395006.db2.gz ILBLTABCURTWTD-XMMPIXPASA-N 0 0 428.529 3.865 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000012072636 556396175 /nfs/dbraw/zinc/39/61/75/556396175.db2.gz GRBXKLKZQLEYOF-NRFANRHFSA-N 0 0 429.524 3.845 50 0 IHAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 ZINC000032811115 556398177 /nfs/dbraw/zinc/39/81/77/556398177.db2.gz XJRBRPOLJVIRFO-FQEVSTJZSA-N 0 0 432.592 3.782 50 0 IHAARN Cc1nc(C)n(CC(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 ZINC000012079703 556398602 /nfs/dbraw/zinc/39/86/02/556398602.db2.gz 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COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCCCN2CCCC2=O)c1 ZINC000014247712 556407399 /nfs/dbraw/zinc/40/73/99/556407399.db2.gz YDKLFSOKVSELNV-UHFFFAOYSA-N 0 0 432.524 3.599 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)O[C@@H](C)C(=O)N4CCC(C)CC4)CC3)c2c1C ZINC000014247815 556407475 /nfs/dbraw/zinc/40/74/75/556407475.db2.gz SBWSUIMLOOSTBC-INIZCTEOSA-N 0 0 444.601 3.715 50 0 IHAARN O=C(NCc1cnn(-c2ccccc2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032612168 556408791 /nfs/dbraw/zinc/40/87/91/556408791.db2.gz BHJNDLDULMVCGZ-UHFFFAOYSA-N 0 0 443.956 3.929 50 0 IHAARN CCn1c2ccccc2c2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc21 ZINC000032671785 556414260 /nfs/dbraw/zinc/41/42/60/556414260.db2.gz ODTFNMQMQLYGKC-CQSZACIVSA-N 0 0 446.536 3.855 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(F)cc2F)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000032665958 556417083 /nfs/dbraw/zinc/41/70/83/556417083.db2.gz NYLZKRHUCXNIDT-HXUWFJFHSA-N 0 0 445.491 3.534 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)cs2)cc1OC ZINC000032830604 556417120 /nfs/dbraw/zinc/41/71/20/556417120.db2.gz HNNSLOYCVWAIQW-MRXNPFEDSA-N 0 0 449.536 3.890 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc1 ZINC000032833128 556417627 /nfs/dbraw/zinc/41/76/27/556417627.db2.gz HSQWAVCKTRMKLK-VJBMBRPKSA-N 0 0 436.552 3.836 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc1 ZINC000032833135 556417632 /nfs/dbraw/zinc/41/76/32/556417632.db2.gz HSQWAVCKTRMKLK-OIBXWCBGSA-N 0 0 436.552 3.836 50 0 IHAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000032837327 556418769 /nfs/dbraw/zinc/41/87/69/556418769.db2.gz IUYNGZXEXHHIOJ-IERDGZPVSA-N 0 0 426.538 3.835 50 0 IHAARN COc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 ZINC000032837656 556419171 /nfs/dbraw/zinc/41/91/71/556419171.db2.gz HJIZMJIHDDASHE-IFMALSPDSA-N 0 0 448.475 3.816 50 0 IHAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c12 ZINC000014491148 556419350 /nfs/dbraw/zinc/41/93/50/556419350.db2.gz RZRZMUXEULLUKE-UHFFFAOYSA-N 0 0 439.541 3.623 50 0 IHAARN CCn1c2ncc(NCc3ccc(C)cc3)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014534669 556422741 /nfs/dbraw/zinc/42/27/41/556422741.db2.gz JHCGVQCAMAOTDN-QGZVFWFLSA-N 0 0 436.512 3.738 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000012978821 556423326 /nfs/dbraw/zinc/42/33/26/556423326.db2.gz GVTHSJCYDXFXEI-QFIPXVFZSA-N 0 0 441.553 3.620 50 0 IHAARN O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012980080 556423856 /nfs/dbraw/zinc/42/38/56/556423856.db2.gz CPBIVUDTJBOJCK-GFCCVEGCSA-N 0 0 429.361 3.550 50 0 IHAARN CSc1nc(C)c(CCC(=O)Nc2ccccc2I)c(C)n1 ZINC000012986015 556426730 /nfs/dbraw/zinc/42/67/30/556426730.db2.gz SNLASKGDQHGVTP-UHFFFAOYSA-N 0 0 427.311 3.991 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)n(-c2ccccc2)n1 ZINC000012992708 556428821 /nfs/dbraw/zinc/42/88/21/556428821.db2.gz UQVZLIISVYSTOO-UHFFFAOYSA-N 0 0 445.445 3.709 50 0 IHAARN O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccc(F)cc2)cs1 ZINC000012995028 556430231 /nfs/dbraw/zinc/43/02/31/556430231.db2.gz OXULZBAUKQXNPM-UHFFFAOYSA-N 0 0 436.512 3.540 50 0 IHAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012995898 556431152 /nfs/dbraw/zinc/43/11/52/556431152.db2.gz CCNSADBQROWFRC-UHFFFAOYSA-N 0 0 430.526 3.701 50 0 IHAARN CC(=O)c1ccccc1OCCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000032854490 556432678 /nfs/dbraw/zinc/43/26/78/556432678.db2.gz YEANDDGMWVIXMF-UHFFFAOYSA-N 0 0 436.913 3.861 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)cc1OC ZINC000013000904 556433126 /nfs/dbraw/zinc/43/31/26/556433126.db2.gz BAMYHCBXWJHEKW-UHFFFAOYSA-N 0 0 443.500 3.986 50 0 IHAARN O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000013000918 556433171 /nfs/dbraw/zinc/43/31/71/556433171.db2.gz NGELAZUIPQADGI-KRWDZBQOSA-N 0 0 448.894 3.711 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000032858148 556434424 /nfs/dbraw/zinc/43/44/24/556434424.db2.gz GLRWVXIMYKMHTA-AWEZNQCLSA-N 0 0 439.493 3.835 50 0 IHAARN Cc1ccc(CSc2nnc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)s2)cc1 ZINC000013003841 556434432 /nfs/dbraw/zinc/43/44/32/556434432.db2.gz NCAGIUWZNITEHZ-UHFFFAOYSA-N 0 0 440.472 3.958 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000011025056 556434622 /nfs/dbraw/zinc/43/46/22/556434622.db2.gz NGVWUJFMANGABQ-UHFFFAOYSA-N 0 0 426.252 3.731 50 0 IHAARN COc1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1OC ZINC000013005222 556434739 /nfs/dbraw/zinc/43/47/39/556434739.db2.gz BHXVOUBPZHJJGV-OAHLLOKOSA-N 0 0 436.508 3.783 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 ZINC000011026528 556435855 /nfs/dbraw/zinc/43/58/55/556435855.db2.gz NWZUGRRQTXOMDT-UHFFFAOYSA-N 0 0 433.302 3.727 50 0 IHAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC(=O)NCc3ccco3)n2n1 ZINC000013015439 556437327 /nfs/dbraw/zinc/43/73/27/556437327.db2.gz XFPMVAYDTNIHGX-UHFFFAOYSA-N 0 0 435.509 3.724 50 0 IHAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@@H](C)O1 ZINC000027991249 556439942 /nfs/dbraw/zinc/43/99/42/556439942.db2.gz TVIRWQWGUJCZCJ-QZTJIDSGSA-N 0 0 444.535 3.863 50 0 IHAARN Cn1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000028011431 556441690 /nfs/dbraw/zinc/44/16/90/556441690.db2.gz PLTNCIOOWHUKPL-UHFFFAOYSA-N 0 0 438.549 3.836 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013031994 556442948 /nfs/dbraw/zinc/44/29/48/556442948.db2.gz RCDZOFBYYNYLMR-UHFFFAOYSA-N 0 0 425.838 3.755 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013037768 556443177 /nfs/dbraw/zinc/44/31/77/556443177.db2.gz PXPVTGQTQBIJGN-IBGZPJMESA-N 0 0 444.535 3.935 50 0 IHAARN C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032957537 556443549 /nfs/dbraw/zinc/44/35/49/556443549.db2.gz FZYYASNTSUFXQV-QGZVFWFLSA-N 0 0 432.476 3.794 50 0 IHAARN O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000028094105 556443609 /nfs/dbraw/zinc/44/36/09/556443609.db2.gz JLPWMYBESNIWER-IBGZPJMESA-N 0 0 425.492 3.911 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@@H](C)CO)cnc2n1CCC(C)C ZINC000014752325 556444071 /nfs/dbraw/zinc/44/40/71/556444071.db2.gz HENRZUIEYZWGOG-AWEZNQCLSA-N 0 0 428.489 3.507 50 0 IHAARN CCOc1ccccc1OCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1 ZINC000013039654 556445305 /nfs/dbraw/zinc/44/53/05/556445305.db2.gz KTADRUIHHKACRK-HXUWFJFHSA-N 0 0 440.540 3.727 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013039956 556445713 /nfs/dbraw/zinc/44/57/13/556445713.db2.gz HPZFNOKLOLNXCR-UYAOXDASSA-N 0 0 443.613 3.842 50 0 IHAARN Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2cc1Cl ZINC000028289059 556448937 /nfs/dbraw/zinc/44/89/37/556448937.db2.gz ZAULOWIMIIVQNU-INIZCTEOSA-N 0 0 432.929 3.620 50 0 IHAARN NC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 ZINC000013063487 556451968 /nfs/dbraw/zinc/45/19/68/556451968.db2.gz NELSPAZFAYBWRH-UHFFFAOYSA-N 0 0 441.988 3.938 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)NCCc3ccc(Cl)cc3)CCC(=O)N2)c(F)c1 ZINC000014879226 556452426 /nfs/dbraw/zinc/45/24/26/556452426.db2.gz WFGRLJYPCYAXJF-QHCPKHFHSA-N 0 0 432.923 3.818 50 0 IHAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(n3cccc3)CC1)C2=O ZINC000072277202 556457702 /nfs/dbraw/zinc/45/77/02/556457702.db2.gz JNQYPEPJXLIJKD-UHFFFAOYSA-N 0 0 428.577 3.569 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)c1ccccc1)CC2 ZINC000072277286 556457979 /nfs/dbraw/zinc/45/79/79/556457979.db2.gz UZNRHSUXNIGJDB-HSZRJFAPSA-N 0 0 436.533 3.669 50 0 IHAARN CN(CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014910359 556458330 /nfs/dbraw/zinc/45/83/30/556458330.db2.gz XNRKDSHRWOSOFZ-UHFFFAOYSA-N 0 0 446.960 3.675 50 0 IHAARN O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000028667221 556458511 /nfs/dbraw/zinc/45/85/11/556458511.db2.gz XBMKNNJILVLNQK-UHFFFAOYSA-N 0 0 427.551 3.859 50 0 IHAARN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000072277535 556458754 /nfs/dbraw/zinc/45/87/54/556458754.db2.gz BEHAZINAVGTMRF-BXKMTCNYSA-N 0 0 427.545 3.591 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c3cccs3)n2)cc1 ZINC000013100461 556459770 /nfs/dbraw/zinc/45/97/70/556459770.db2.gz BRRZZAILDWKMDI-CYBMUJFWSA-N 0 0 443.550 3.734 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000028736147 556460162 /nfs/dbraw/zinc/46/01/62/556460162.db2.gz IUYDDUJVJXADFR-HXUWFJFHSA-N 0 0 439.947 3.543 50 0 IHAARN Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 ZINC000032871291 556461243 /nfs/dbraw/zinc/46/12/43/556461243.db2.gz HRFZSRZCDIWJGZ-UHFFFAOYSA-N 0 0 448.614 3.814 50 0 IHAARN CCOc1ccc(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000028853328 556462835 /nfs/dbraw/zinc/46/28/35/556462835.db2.gz UBKDHCAXJDEZSM-HNNXBMFYSA-N 0 0 429.542 3.809 50 0 IHAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000028924614 556464002 /nfs/dbraw/zinc/46/40/02/556464002.db2.gz YYPNRHOWPJEZJH-HXUWFJFHSA-N 0 0 426.929 3.800 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1cccs1 ZINC000013113167 556466172 /nfs/dbraw/zinc/46/61/72/556466172.db2.gz SMXHJPFCFMJRPM-CYBMUJFWSA-N 0 0 427.555 3.883 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)ccc1F ZINC000029153361 556469006 /nfs/dbraw/zinc/46/90/06/556469006.db2.gz OPLMXHHIXASJLK-UHFFFAOYSA-N 0 0 442.472 3.678 50 0 IHAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013117230 556469545 /nfs/dbraw/zinc/46/95/45/556469545.db2.gz GGZRXFORBDVTNU-UHFFFAOYSA-N 0 0 436.415 3.788 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013117501 556470186 /nfs/dbraw/zinc/47/01/86/556470186.db2.gz YFQGUISNAWAZCW-UHFFFAOYSA-N 0 0 434.496 3.900 50 0 IHAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000029213117 556470271 /nfs/dbraw/zinc/47/02/71/556470271.db2.gz WNTFXHITYQYFPG-UHFFFAOYSA-N 0 0 437.550 3.744 50 0 IHAARN O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000013117966 556471095 /nfs/dbraw/zinc/47/10/95/556471095.db2.gz QJFODRCYGFQSTM-UHFFFAOYSA-N 0 0 440.345 3.584 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 ZINC000013121087 556473543 /nfs/dbraw/zinc/47/35/43/556473543.db2.gz ORPUAQORJQBGPA-KRWDZBQOSA-N 0 0 426.538 3.869 50 0 IHAARN Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000013121044 556473547 /nfs/dbraw/zinc/47/35/47/556473547.db2.gz XLSHXRJJSXZHFG-RUZDIDTESA-N 0 0 447.560 3.705 50 0 IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000013121417 556474189 /nfs/dbraw/zinc/47/41/89/556474189.db2.gz NFUWZTWTGNVBNC-UHFFFAOYSA-N 0 0 438.330 3.597 50 0 IHAARN Cc1ccc(C(=O)N/C(=C/c2ccc(C(C)C)cc2)C(=O)NCCCN2CCOCC2)cc1 ZINC000013122532 556474808 /nfs/dbraw/zinc/47/48/08/556474808.db2.gz UYANBYBQRDOCTD-NCELDCMTSA-N 0 0 449.595 3.728 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000013126890 556475418 /nfs/dbraw/zinc/47/54/18/556475418.db2.gz VTSCZVXRNGAOFX-QGZVFWFLSA-N 0 0 439.566 3.513 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c(CC2CCCC2)n1C ZINC000014995527 556477671 /nfs/dbraw/zinc/47/76/71/556477671.db2.gz FJVIRIYNGGQYLL-DEOSSOPVSA-N 0 0 447.623 3.742 50 0 IHAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Br)c[nH]3)sc2C1 ZINC000029570537 556478027 /nfs/dbraw/zinc/47/80/27/556478027.db2.gz YMMMCVOOPLXBQW-UHFFFAOYSA-N 0 0 427.324 3.779 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ncnc4sccc43)o2)c1 ZINC000013128616 556478174 /nfs/dbraw/zinc/47/81/74/556478174.db2.gz OFYGBPYIJOAAET-UHFFFAOYSA-N 0 0 447.567 3.923 50 0 IHAARN COc1ccc2c(-c3ccccc3)cc(=O)n(S(=O)(=O)c3ccc4c(c3)OCCO4)c2c1 ZINC000013128977 556478456 /nfs/dbraw/zinc/47/84/56/556478456.db2.gz PYGAJQZRSHDBPF-UHFFFAOYSA-N 0 0 449.484 3.685 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)NC[C@@H](c4ccco4)N(C)C)CC3)c2c1C ZINC000029690946 556480239 /nfs/dbraw/zinc/48/02/39/556480239.db2.gz MLOALIJVAFGSPS-KRWDZBQOSA-N 0 0 427.574 3.537 50 0 IHAARN Cc1ncsc1CCC(=O)N1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000015002935 556480551 /nfs/dbraw/zinc/48/05/51/556480551.db2.gz RMDIAWAGXBIIKQ-UHFFFAOYSA-N 0 0 425.476 3.664 50 0 IHAARN O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000015003541 556480873 /nfs/dbraw/zinc/48/08/73/556480873.db2.gz REDFQVQSFYOHRB-UHFFFAOYSA-N 0 0 428.471 3.713 50 0 IHAARN COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1OC ZINC000013133644 556481051 /nfs/dbraw/zinc/48/10/51/556481051.db2.gz XHFNKIGXEOLIQX-MRXNPFEDSA-N 0 0 439.537 3.652 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC(=O)c1ccc(C)cc1 ZINC000013133772 556481326 /nfs/dbraw/zinc/48/13/26/556481326.db2.gz SYJUTQOLOQAAGR-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)ccc1OC ZINC000013137177 556484117 /nfs/dbraw/zinc/48/41/17/556484117.db2.gz WWUHNKDTUBUAAO-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN CCn1c(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)nnc1-c1ccco1 ZINC000029847444 556484154 /nfs/dbraw/zinc/48/41/54/556484154.db2.gz LJHIZZAMMAGNPG-UHFFFAOYSA-N 0 0 443.510 3.670 50 0 IHAARN CN(CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000029845993 556484223 /nfs/dbraw/zinc/48/42/23/556484223.db2.gz SOKYFYHJCFUCQR-HXUWFJFHSA-N 0 0 426.563 3.543 50 0 IHAARN COC(=O)c1cc(Br)ccc1S(=O)(=O)NCCc1ccc(C(C)C)cc1 ZINC000013137555 556484410 /nfs/dbraw/zinc/48/44/10/556484410.db2.gz SDTUCTZPYVUAFA-UHFFFAOYSA-N 0 0 440.359 3.880 50 0 IHAARN CCn1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c(=O)c2ccc(C)nc21 ZINC000013137884 556484755 /nfs/dbraw/zinc/48/47/55/556484755.db2.gz VHHWFXBGYRMUIA-UHFFFAOYSA-N 0 0 447.491 3.824 50 0 IHAARN CCOC(=O)c1sc2[nH]c([C@@H](C)N(C)Cc3ccc(OC)cc3OC)nc(=O)c2c1C ZINC000013140805 556486008 /nfs/dbraw/zinc/48/60/08/556486008.db2.gz KFRLOQYSWWKSPD-CYBMUJFWSA-N 0 0 445.541 3.680 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cccc4cccnc43)n2c1 ZINC000029916026 556486500 /nfs/dbraw/zinc/48/65/00/556486500.db2.gz ZCQURIYXJHUHRX-UHFFFAOYSA-N 0 0 427.555 3.600 50 0 IHAARN Cc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccn3)CC2)cc1 ZINC000015017774 556486880 /nfs/dbraw/zinc/48/68/80/556486880.db2.gz QQVZPBOOJKLMCV-BDYUSTAISA-N 0 0 440.547 3.978 50 0 IHAARN O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000029936708 556487043 /nfs/dbraw/zinc/48/70/43/556487043.db2.gz RSZDHQDEGSSRFB-UHFFFAOYSA-N 0 0 434.283 3.786 50 0 IHAARN CCc1ccccc1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccccc1CC ZINC000013144119 556487618 /nfs/dbraw/zinc/48/76/18/556487618.db2.gz MCGIMKMNMDEYAU-BGYRXZFFSA-N 0 0 442.581 3.830 50 0 IHAARN Cc1ccc([C@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]32)cc1 ZINC000013145658 556487742 /nfs/dbraw/zinc/48/77/42/556487742.db2.gz CKBLYSLKUICESQ-FDDCHVKYSA-N 0 0 427.570 3.523 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1)NCc1ccccc1 ZINC000029986334 556488249 /nfs/dbraw/zinc/48/82/49/556488249.db2.gz CHTCWSSMHCQGJL-UHFFFAOYSA-N 0 0 441.575 3.546 50 0 IHAARN C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000013147570 556488730 /nfs/dbraw/zinc/48/87/30/556488730.db2.gz SAYGRMXQNDDUNX-BTYIYWSLSA-N 0 0 446.434 3.733 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1c(C)nc3ccccc3c1=O)C[C@@H](C)CC2 ZINC000013148874 556490369 /nfs/dbraw/zinc/49/03/69/556490369.db2.gz LUZNXVMJJXOECH-ZDUSSCGKSA-N 0 0 439.537 3.707 50 0 IHAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000030174339 556490944 /nfs/dbraw/zinc/49/09/44/556490944.db2.gz DPRZVBIJBIDTGW-SFHVURJKSA-N 0 0 437.525 3.672 50 0 IHAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000030220230 556491735 /nfs/dbraw/zinc/49/17/35/556491735.db2.gz CIMKWUNYIUPVJC-BJKOFHAPSA-N 0 0 442.563 3.943 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2ccc(C)s2)c1 ZINC000015066452 556493091 /nfs/dbraw/zinc/49/30/91/556493091.db2.gz PEFKXXFLFUBRQM-UHFFFAOYSA-N 0 0 428.554 3.775 50 0 IHAARN COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000011061894 556493668 /nfs/dbraw/zinc/49/36/68/556493668.db2.gz VWGZFHUVLIRDQG-KRWDZBQOSA-N 0 0 442.531 3.688 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2n1 ZINC000013163782 556494447 /nfs/dbraw/zinc/49/44/47/556494447.db2.gz QEDJOYZTEDVPEB-FQEVSTJZSA-N 0 0 441.557 3.508 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(NC4CC4)s3)c2c1C ZINC000013163765 556494480 /nfs/dbraw/zinc/49/44/80/556494480.db2.gz JRYCCLBSBOWXCS-UHFFFAOYSA-N 0 0 434.616 3.717 50 0 IHAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000013163693 556494508 /nfs/dbraw/zinc/49/45/08/556494508.db2.gz PVUPPJQRGVJWBI-UHFFFAOYSA-N 0 0 438.578 3.590 50 0 IHAARN O=C(Nc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1)[C@H]1CCCO1 ZINC000030506988 556495416 /nfs/dbraw/zinc/49/54/16/556495416.db2.gz ASVFXVTVHXXLCH-OAQYLSRUSA-N 0 0 436.512 3.687 50 0 IHAARN O=S(=O)(c1ccc(-c2ccon2)s1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000015071433 556496291 /nfs/dbraw/zinc/49/62/91/556496291.db2.gz VYMMQLXIJZMRFV-CYBMUJFWSA-N 0 0 425.482 3.947 50 0 IHAARN CC(=O)Nc1ccc(OC[C@H](O)Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000030531284 556497045 /nfs/dbraw/zinc/49/70/45/556497045.db2.gz AXKWPAVOPXWXFS-QGZVFWFLSA-N 0 0 427.460 3.646 50 0 IHAARN Cc1c(C(=O)NC[C@@H]2CCCO2)sc2ncnc(N(C)CCOc3ccc(C)cc3)c12 ZINC000015072811 556497437 /nfs/dbraw/zinc/49/74/37/556497437.db2.gz UFUAUBUPOBDEQE-SFHVURJKSA-N 0 0 440.569 3.732 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000030586820 556498711 /nfs/dbraw/zinc/49/87/11/556498711.db2.gz UGXQBCUWMPYXPH-JOCHJYFZSA-N 0 0 445.441 3.711 50 0 IHAARN CN1O[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]1c1coc2ccccc2c1=O ZINC000013398177 556504140 /nfs/dbraw/zinc/50/41/40/556504140.db2.gz ADZJARQMKWNYLU-ZIFCJYIRSA-N 0 0 445.258 3.576 50 0 IHAARN CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 ZINC000015108312 556504545 /nfs/dbraw/zinc/50/45/45/556504545.db2.gz QPGFFLCDCBISAB-JOCHJYFZSA-N 0 0 449.507 3.649 50 0 IHAARN COc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OCc1cscn1 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COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 ZINC000016215145 556591664 /nfs/dbraw/zinc/59/16/64/556591664.db2.gz SDCDGFQIHSTPTH-UHFFFAOYSA-N 0 0 425.535 3.624 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 ZINC000016217258 556592105 /nfs/dbraw/zinc/59/21/05/556592105.db2.gz RITNJEWZKHGXHL-UHFFFAOYSA-N 0 0 434.533 3.869 50 0 IHAARN Cc1cc(C)c(C)c(OCc2nc(CN(CCN3CCOCC3)C(=O)C3CC3)cs2)c1 ZINC000036105847 556593138 /nfs/dbraw/zinc/59/31/38/556593138.db2.gz NVEIDEAAXGHJCH-UHFFFAOYSA-N 0 0 443.613 3.718 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000036250476 556595574 /nfs/dbraw/zinc/59/55/74/556595574.db2.gz NDLFGFVSRGBBKE-JOCHJYFZSA-N 0 0 433.543 3.540 50 0 IHAARN COc1ccc(-c2c(=O)n(OCc3ccccc3Cl)c3ccccc3[n+]2[O-])cc1OC ZINC000016293738 556598592 /nfs/dbraw/zinc/59/85/92/556598592.db2.gz LMJLWKYHVKEIRN-UHFFFAOYSA-N 0 0 438.867 3.601 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000032975609 556600093 /nfs/dbraw/zinc/60/00/93/556600093.db2.gz MTKBZGVPGWHGED-IAGOWNOFSA-N 0 0 448.491 3.749 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)c(OC)c1 ZINC000071768988 556600929 /nfs/dbraw/zinc/60/09/29/556600929.db2.gz DSHZWAVDTWFHFE-UHFFFAOYSA-N 0 0 435.524 3.943 50 0 IHAARN CC[C@H](C)NC(=O)CCN(CCOC)C(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000037426556 556603630 /nfs/dbraw/zinc/60/36/30/556603630.db2.gz VKDJYYZZJLCCFU-AWEZNQCLSA-N 0 0 438.981 3.934 50 0 IHAARN CC(C)COC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000032986880 556606750 /nfs/dbraw/zinc/60/67/50/556606750.db2.gz XIQZEQIBBATAQM-KRWDZBQOSA-N 0 0 428.432 3.921 50 0 IHAARN O=C(Nc1cccc(CO)c1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000032987852 556608206 /nfs/dbraw/zinc/60/82/06/556608206.db2.gz GMINCQZBZXYAIW-UHFFFAOYSA-N 0 0 443.352 3.525 50 0 IHAARN CCOC(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1 ZINC000016448068 556608273 /nfs/dbraw/zinc/60/82/73/556608273.db2.gz ZTJBRKIPRATMFK-UHFFFAOYSA-N 0 0 433.327 3.863 50 0 IHAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 ZINC000016454141 556609635 /nfs/dbraw/zinc/60/96/35/556609635.db2.gz WMONFOXBJJQIAA-INIZCTEOSA-N 0 0 448.614 3.812 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)cc1Cl ZINC000038654852 556615294 /nfs/dbraw/zinc/61/52/94/556615294.db2.gz KJRKSSPXTZHZIQ-UHFFFAOYSA-N 0 0 439.946 3.737 50 0 IHAARN CCOc1ccccc1N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(SC)cc1 ZINC000016610273 556617632 /nfs/dbraw/zinc/61/76/32/556617632.db2.gz MYJBYZZOACMWKL-INIZCTEOSA-N 0 0 436.599 3.917 50 0 IHAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000033672825 556620735 /nfs/dbraw/zinc/62/07/35/556620735.db2.gz RLSQBCIECRLOFQ-UHFFFAOYSA-N 0 0 436.581 3.504 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc2ccccc2oc1=O ZINC000033681610 556621259 /nfs/dbraw/zinc/62/12/59/556621259.db2.gz HMPVOLSKKRMYCT-UHFFFAOYSA-N 0 0 426.494 3.610 50 0 IHAARN CCOc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016741762 556635499 /nfs/dbraw/zinc/63/54/99/556635499.db2.gz XIRFAGARJHTYOJ-ACGJQVIASA-N 0 0 433.957 3.968 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000016742500 556636365 /nfs/dbraw/zinc/63/63/65/556636365.db2.gz XINMQEIHTTXSMM-AWEZNQCLSA-N 0 0 448.393 3.958 50 0 IHAARN C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000016751132 556637390 /nfs/dbraw/zinc/63/73/90/556637390.db2.gz JFYWNJNAAPJASS-IBGZPJMESA-N 0 0 433.508 3.786 50 0 IHAARN CCc1nn2c(nnc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000040391645 556637925 /nfs/dbraw/zinc/63/79/25/556637925.db2.gz DKBJJYUIBBCZRI-UHFFFAOYSA-N 0 0 429.455 3.865 50 0 IHAARN CCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016752804 556638061 /nfs/dbraw/zinc/63/80/61/556638061.db2.gz WPLHFPSWZGSZGW-HXUWFJFHSA-N 0 0 431.554 3.704 50 0 IHAARN COc1cccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752810 556638168 /nfs/dbraw/zinc/63/81/68/556638168.db2.gz SSRASTZNNVPGPF-HXUWFJFHSA-N 0 0 431.554 3.560 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccccn1)cc2=O)Nc1cc(F)ccc1F ZINC000040484872 556643796 /nfs/dbraw/zinc/64/37/96/556643796.db2.gz RJYJYNZHUHLUSG-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@H](NC(C)=O)c1ccccc1Cl ZINC000032922404 556645346 /nfs/dbraw/zinc/64/53/46/556645346.db2.gz OOBICZKQSHDUKR-KRWDZBQOSA-N 0 0 430.892 3.989 50 0 IHAARN c1cc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc2c1OCO2 ZINC000016845679 556646839 /nfs/dbraw/zinc/64/68/39/556646839.db2.gz JPHCQEOYEMUZNA-UHFFFAOYSA-N 0 0 434.433 3.943 50 0 IHAARN FC(F)(F)c1ccc(N2CCCN(Cn3ncn(-c4ccccc4)c3=S)CC2)nc1 ZINC000016875793 556647999 /nfs/dbraw/zinc/64/79/99/556647999.db2.gz DMSQUWVTLJVXQE-UHFFFAOYSA-N 0 0 434.491 3.987 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 ZINC000011757670 556651447 /nfs/dbraw/zinc/65/14/47/556651447.db2.gz JHHAKYCSBMFBDP-UHFFFAOYSA-N 0 0 449.573 3.601 50 0 IHAARN Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n[nH]2)cc1 ZINC000016965036 556651463 /nfs/dbraw/zinc/65/14/63/556651463.db2.gz QDBYJMNBCQPCIO-UHFFFAOYSA-N 0 0 439.541 3.515 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1coc2c1ccc(C)c2C ZINC000032999586 556652991 /nfs/dbraw/zinc/65/29/91/556652991.db2.gz PMMFXSQUWHVOHB-UHFFFAOYSA-N 0 0 449.507 3.895 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000032927618 556656327 /nfs/dbraw/zinc/65/63/27/556656327.db2.gz JRYITQCBIZZAON-ZDUSSCGKSA-N 0 0 437.468 3.608 50 0 IHAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2C)s1 ZINC000033007709 556656502 /nfs/dbraw/zinc/65/65/02/556656502.db2.gz NFWQSNUKMDRSFB-UHFFFAOYSA-N 0 0 435.527 3.771 50 0 IHAARN Cc1nn(CCCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1Br ZINC000017095742 556659256 /nfs/dbraw/zinc/65/92/56/556659256.db2.gz BCYABLOQKCDELZ-UHFFFAOYSA-N 0 0 428.396 3.865 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1Cc1ccccc1 ZINC000011836586 556659888 /nfs/dbraw/zinc/65/98/88/556659888.db2.gz IVLGCUAEADGWIG-UHFFFAOYSA-N 0 0 429.476 3.590 50 0 IHAARN CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2ccccn2)n1CC ZINC000017097610 556662042 /nfs/dbraw/zinc/66/20/42/556662042.db2.gz LXTJOVVGNAAJNM-UHFFFAOYSA-N 0 0 431.543 3.637 50 0 IHAARN COc1ccc(OC)c(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c1 ZINC000033013786 556663492 /nfs/dbraw/zinc/66/34/92/556663492.db2.gz PFLWXQBRERHHKX-UHFFFAOYSA-N 0 0 448.479 3.865 50 0 IHAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)COc3ccccc3)cc(=O)n21 ZINC000033014321 556664677 /nfs/dbraw/zinc/66/46/77/556664677.db2.gz IIPFONWLOSOJBL-UHFFFAOYSA-N 0 0 449.536 3.782 50 0 IHAARN O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccccn2)CC1 ZINC000011865863 556665757 /nfs/dbraw/zinc/66/57/57/556665757.db2.gz BXEWOAXBLYYNOZ-UHFFFAOYSA-N 0 0 448.470 3.995 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000011866941 556667288 /nfs/dbraw/zinc/66/72/88/556667288.db2.gz WMFXLMDQUNVGID-BFIDETRKSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN CCOc1ccc(N2CCn3c(SCC(=O)N4CCCc5ccccc54)nnc32)cc1 ZINC000017307680 556675074 /nfs/dbraw/zinc/67/50/74/556675074.db2.gz LVGUGIIPKQOYKG-UHFFFAOYSA-N 0 0 435.553 3.900 50 0 IHAARN COC(=O)c1ccc(-c2csc(NC(=O)CCS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000010620578 556678175 /nfs/dbraw/zinc/67/81/75/556678175.db2.gz JJRMEDCXZFLKOX-UHFFFAOYSA-N 0 0 444.534 3.540 50 0 IHAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000044902428 556678463 /nfs/dbraw/zinc/67/84/63/556678463.db2.gz GWJOAPGACWNHMY-UHFFFAOYSA-N 0 0 435.499 3.539 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)CC2=O)c1C ZINC000032936674 556678752 /nfs/dbraw/zinc/67/87/52/556678752.db2.gz UQFIMASRWFZWFX-HNNXBMFYSA-N 0 0 443.429 3.895 50 0 IHAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000033325850 556680409 /nfs/dbraw/zinc/68/04/09/556680409.db2.gz KWELQNRPVSJHKJ-IBGZPJMESA-N 0 0 439.537 3.787 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325808 556680419 /nfs/dbraw/zinc/68/04/19/556680419.db2.gz NGOZJQLNMQBZHA-HXUWFJFHSA-N 0 0 435.549 3.729 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)n2)c(F)c1 ZINC000044918566 556681974 /nfs/dbraw/zinc/68/19/74/556681974.db2.gz LAFRUBILIORNFU-UHFFFAOYSA-N 0 0 435.499 3.539 50 0 IHAARN CCOC(=O)c1sc(NC(=O)Cc2csc(-n3nc(C)c(Cl)c3C)n2)nc1C ZINC000033019515 556682379 /nfs/dbraw/zinc/68/23/79/556682379.db2.gz OSFYHVUAJJTHAP-UHFFFAOYSA-N 0 0 439.950 3.722 50 0 IHAARN Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(Br)c3)c2)s1 ZINC000033022667 556687593 /nfs/dbraw/zinc/68/75/93/556687593.db2.gz ZMUJCENKPCQHCT-UHFFFAOYSA-N 0 0 431.315 3.791 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000018285243 556689154 /nfs/dbraw/zinc/68/91/54/556689154.db2.gz WAZGWWTXVXEAJU-OAQYLSRUSA-N 0 0 427.932 3.583 50 0 IHAARN CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000010647546 556691144 /nfs/dbraw/zinc/69/11/44/556691144.db2.gz LLHLEYPUYXJIQA-UHFFFAOYSA-N 0 0 447.582 3.958 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)NCc3nnc(C(C)C)s3)cc2)c1 ZINC000072313763 556694511 /nfs/dbraw/zinc/69/45/11/556694511.db2.gz DKJNZZWZDFFHCC-UHFFFAOYSA-N 0 0 440.525 3.618 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCc3cccc(Br)c3)CC2)[nH]1 ZINC000033024365 556695270 /nfs/dbraw/zinc/69/52/70/556695270.db2.gz VGNIWIBDKTYNGV-UHFFFAOYSA-N 0 0 432.362 3.953 50 0 IHAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(I)o1 ZINC000013574935 556698263 /nfs/dbraw/zinc/69/82/63/556698263.db2.gz SKWVYGIGLLZYLW-XFFZJAGNSA-N 0 0 444.022 3.991 50 0 IHAARN Cc1ccc(CC(=O)N2CCc3n[nH]c(C(=O)N[C@H]4CCCc5ccccc54)c3C2)cc1 ZINC000034797176 556706791 /nfs/dbraw/zinc/70/67/91/556706791.db2.gz NMYQUEFIMXHLNZ-QFIPXVFZSA-N 0 0 428.536 3.653 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Br)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000019171414 556707491 /nfs/dbraw/zinc/70/74/91/556707491.db2.gz LTXBXKMAYZVNNP-BZSNNMDCSA-N 0 0 446.732 3.638 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)Cc1ccc(Br)cc1F ZINC000072318878 556709233 /nfs/dbraw/zinc/70/92/33/556709233.db2.gz RGUPCGMZLYYGIV-UHFFFAOYSA-N 0 0 443.338 3.605 50 0 IHAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)c1 ZINC000033028770 556709286 /nfs/dbraw/zinc/70/92/86/556709286.db2.gz JKYWYHVVOHWTCI-UHFFFAOYSA-N 0 0 438.528 3.919 50 0 IHAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccc(Cl)cc1)CN([C@H]1CCS(=O)(=O)C1)CO3 ZINC000013692334 556711973 /nfs/dbraw/zinc/71/19/73/556711973.db2.gz JPUIZXQKDRTTFJ-INIZCTEOSA-N 0 0 445.924 3.761 50 0 IHAARN CCCCn1c(CN(C)CCc2nc3cc(Cl)ccc3[nH]2)cnc1S(=O)(=O)CC ZINC000019218117 556713129 /nfs/dbraw/zinc/71/31/29/556713129.db2.gz PKEXIOFRGFMHRS-UHFFFAOYSA-N 0 0 437.997 3.681 50 0 IHAARN CC(=O)NCCCCCC(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000071913699 556716277 /nfs/dbraw/zinc/71/62/77/556716277.db2.gz JARJJEDNMXVTMB-UHFFFAOYSA-N 0 0 430.932 3.914 50 0 IHAARN COc1ccccc1/C=C/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O ZINC000013751703 556726040 /nfs/dbraw/zinc/72/60/40/556726040.db2.gz BSDYJQQPUPBINP-LSLGJYKGSA-N 0 0 440.322 3.802 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1csc(-c2cccs2)n1 ZINC000019270125 556726920 /nfs/dbraw/zinc/72/69/20/556726920.db2.gz XAZDWUVHDGQRJV-UHFFFAOYSA-N 0 0 449.941 3.745 50 0 IHAARN Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000054147114 556729228 /nfs/dbraw/zinc/72/92/28/556729228.db2.gz SNDUJQSCXNOOKW-UHFFFAOYSA-N 0 0 447.440 3.678 50 0 IHAARN Nc1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(Nc2ccccc2)n1 ZINC000054147204 556729279 /nfs/dbraw/zinc/72/92/79/556729279.db2.gz GXMDFQYQJZBCLD-UHFFFAOYSA-N 0 0 429.450 3.538 50 0 IHAARN Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc3ccccc32)n1 ZINC000054313809 556730137 /nfs/dbraw/zinc/73/01/37/556730137.db2.gz XJZDKGZTSXGLMG-UHFFFAOYSA-N 0 0 429.503 3.812 50 0 IHAARN CCCN(Cc1ccccc1)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000024326014 556732953 /nfs/dbraw/zinc/73/29/53/556732953.db2.gz MGKVXVRCRIMXAS-UHFFFAOYSA-N 0 0 428.330 3.988 50 0 IHAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 ZINC000019295814 556734472 /nfs/dbraw/zinc/73/44/72/556734472.db2.gz SLDCQTDLGOSGBU-NRFANRHFSA-N 0 0 428.554 3.885 50 0 IHAARN Cc1ccc(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)c(Cl)c1 ZINC000033045435 556742259 /nfs/dbraw/zinc/74/22/59/556742259.db2.gz CTRRRPLTSVEMJH-UHFFFAOYSA-N 0 0 435.977 3.575 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000013799370 556742728 /nfs/dbraw/zinc/74/27/28/556742728.db2.gz FPXTUBJAEDWVJY-DTQAZKPQSA-N 0 0 443.956 3.853 50 0 IHAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C(=O)NC)cc2)c1CC ZINC000019353563 556744986 /nfs/dbraw/zinc/74/49/86/556744986.db2.gz QTSLUGYUCGZPBP-UHFFFAOYSA-N 0 0 433.508 3.905 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNCc2ccccc2Cl)c1 ZINC000057211566 556746934 /nfs/dbraw/zinc/74/69/34/556746934.db2.gz YXMLSSDKDLMCFW-UHFFFAOYSA-N 0 0 444.384 3.752 50 0 IHAARN NC(=O)c1cccc(CCNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 ZINC000060366356 556748097 /nfs/dbraw/zinc/74/80/97/556748097.db2.gz JEIXSJRHUMEDQG-UHFFFAOYSA-N 0 0 434.883 3.857 50 0 IHAARN COc1cc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1OC ZINC000057530798 556748167 /nfs/dbraw/zinc/74/81/67/556748167.db2.gz PZDSEBNXHWGRIZ-UHFFFAOYSA-N 0 0 443.588 3.508 50 0 IHAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4C(C)C)C2=O)cc1 ZINC000206241380 556749478 /nfs/dbraw/zinc/74/94/78/556749478.db2.gz PQKLIIRHJJTIHL-OAQYLSRUSA-N 0 0 448.523 3.723 50 0 IHAARN C[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000057987306 556750472 /nfs/dbraw/zinc/75/04/72/556750472.db2.gz GDGWTBOIEYCNJE-MRXNPFEDSA-N 0 0 433.599 3.626 50 0 IHAARN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000058004711 556752259 /nfs/dbraw/zinc/75/22/59/556752259.db2.gz BJWJGZXDNRNIFU-XMMPIXPASA-N 0 0 445.567 3.777 50 0 IHAARN O=C1CCCN1C[C@@H](NCc1cnc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000058008494 556752932 /nfs/dbraw/zinc/75/29/32/556752932.db2.gz PVODOSWGSXVZAQ-LJQANCHMSA-N 0 0 433.478 3.549 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000058017444 556754253 /nfs/dbraw/zinc/75/42/53/556754253.db2.gz QREZDNDUAFXPEP-IERDGZPVSA-N 0 0 440.521 3.526 50 0 IHAARN C[C@@H](NC(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1)c1ccc(F)cc1 ZINC000058027438 556754772 /nfs/dbraw/zinc/75/47/72/556754772.db2.gz MVMLUVVHQUGUFI-OAHLLOKOSA-N 0 0 427.501 3.675 50 0 IHAARN COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c(C(=O)N2CCCC2)cc1OC ZINC000058133685 556760591 /nfs/dbraw/zinc/76/05/91/556760591.db2.gz FUPPTNZLPMUBKW-VQIMIIECSA-N 0 0 433.549 3.657 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000011169887 556760797 /nfs/dbraw/zinc/76/07/97/556760797.db2.gz MFWXUWBGHCDGSX-UHFFFAOYSA-N 0 0 433.493 3.749 50 0 IHAARN Cc1ccc(CCC2CCN(C(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)CC2)cc1 ZINC000058151128 556762160 /nfs/dbraw/zinc/76/21/60/556762160.db2.gz HLKSTKQFACEWLU-XMMPIXPASA-N 0 0 440.609 3.553 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000061969169 556763106 /nfs/dbraw/zinc/76/31/06/556763106.db2.gz JVCKIDGZHBEDGN-UHFFFAOYSA-N 0 0 427.489 3.938 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000061971804 556763214 /nfs/dbraw/zinc/76/32/14/556763214.db2.gz CUCMDJJDWCTKDC-UHFFFAOYSA-N 0 0 445.516 3.652 50 0 IHAARN COc1cc(CN2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc(OC)c1OC ZINC000061997739 556764062 /nfs/dbraw/zinc/76/40/62/556764062.db2.gz CKHOBTXLVDKNPN-UHFFFAOYSA-N 0 0 437.492 3.968 50 0 biogenic IHAARN COc1ccccc1CNC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000062001698 556764584 /nfs/dbraw/zinc/76/45/84/556764584.db2.gz ZSZOBPJFSPBONE-OQLLNIDSSA-N 0 0 439.508 3.974 50 0 biogenic IHAARN COc1ccc(NC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)cn1 ZINC000062001769 556764629 /nfs/dbraw/zinc/76/46/29/556764629.db2.gz BQUODWSMGIKOIH-MKMNVTDBSA-N 0 0 440.496 3.994 50 0 biogenic IHAARN Cc1ccc2c(c1)N(C(=O)Cn1ccc3ccn(Cc4ccccc4F)c3c1=O)CCO2 ZINC000062007376 556765733 /nfs/dbraw/zinc/76/57/33/556765733.db2.gz DKRVZAIBNZZTTK-UHFFFAOYSA-N 0 0 431.467 3.724 50 0 IHAARN Cc1cccc(Nc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)n1 ZINC000062022572 556765869 /nfs/dbraw/zinc/76/58/69/556765869.db2.gz BDSNLDUYCLSWOW-UHFFFAOYSA-N 0 0 448.474 3.966 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N(CCc1ccccc1)Cc1cccs1 ZINC000058172367 556768542 /nfs/dbraw/zinc/76/85/42/556768542.db2.gz KCCMJTTWNCFCBV-UHFFFAOYSA-N 0 0 435.593 3.847 50 0 IHAARN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058194018 556770218 /nfs/dbraw/zinc/77/02/18/556770218.db2.gz CFYNNNIOXCAVSD-LJQANCHMSA-N 0 0 449.473 3.639 50 0 IHAARN Cc1cc(Sc2nccn2C)ccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000058196126 556770607 /nfs/dbraw/zinc/77/06/07/556770607.db2.gz IZCDRHHOQJJGAO-UHFFFAOYSA-N 0 0 427.507 3.787 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000058202172 556771115 /nfs/dbraw/zinc/77/11/15/556771115.db2.gz USGQALWKOYODFS-ZDUSSCGKSA-N 0 0 429.498 3.765 50 0 IHAARN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000058246512 556775458 /nfs/dbraw/zinc/77/54/58/556775458.db2.gz BUXSEEQTUKJSOJ-CABCVRRESA-N 0 0 448.614 3.543 50 0 IHAARN COc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)c2ccccc2)cc1 ZINC000058251611 556775892 /nfs/dbraw/zinc/77/58/92/556775892.db2.gz UUJYZWIGAVDIOR-ZHRRBRCNSA-N 0 0 428.492 3.596 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005383219 556777589 /nfs/dbraw/zinc/77/75/89/556777589.db2.gz IASNEQDWRXBECK-KPFXFDDGSA-N 0 0 430.541 3.952 50 0 IHAARN COc1cc(NC(=O)Nc2c(C)nn(C(C)C)c2C)c(C(=O)N2CCCC2)cc1OC ZINC000058341919 556781808 /nfs/dbraw/zinc/78/18/08/556781808.db2.gz REYFDWPSVTXVTF-UHFFFAOYSA-N 0 0 429.521 3.978 50 0 IHAARN CCOc1cccc2c1OCC(C(=O)N[C@H]1CCN(c3cc(Cl)ccc3OC)C1)=C2 ZINC000058341646 556781861 /nfs/dbraw/zinc/78/18/61/556781861.db2.gz ILMJFYWXBMJZQX-SFHVURJKSA-N 0 0 428.916 3.918 50 0 IHAARN O=C([C@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCC1 ZINC000058379756 556784323 /nfs/dbraw/zinc/78/43/23/556784323.db2.gz PMSLHLNXUKQHCG-NRFANRHFSA-N 0 0 449.956 3.780 50 0 IHAARN CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)OCO2 ZINC000058420606 556787323 /nfs/dbraw/zinc/78/73/23/556787323.db2.gz AEBWFXMLLJFACG-ZDUSSCGKSA-N 0 0 434.414 3.839 50 0 IHAARN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)n1 ZINC000058647010 556790995 /nfs/dbraw/zinc/79/09/95/556790995.db2.gz UBSFXNVIEDAWOS-QGZVFWFLSA-N 0 0 434.606 3.614 50 0 IHAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000011181621 556791954 /nfs/dbraw/zinc/79/19/54/556791954.db2.gz UHIVYRMLXFYZCB-UHFFFAOYSA-N 0 0 441.578 3.917 50 0 IHAARN CCCCOc1cccc(CNC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)c1 ZINC000059118307 556794837 /nfs/dbraw/zinc/79/48/37/556794837.db2.gz IQLZWQJLZCWYON-UHFFFAOYSA-N 0 0 449.433 3.799 50 0 IHAARN COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000059257910 556796367 /nfs/dbraw/zinc/79/63/67/556796367.db2.gz SANDSQXJJJSHPL-MRXNPFEDSA-N 0 0 429.517 3.567 50 0 IHAARN COc1cc(-n2cc(C(=O)NCc3ccccc3)c3ccccc3c2=O)cc(OC)c1OC ZINC000072400707 556798535 /nfs/dbraw/zinc/79/85/35/556798535.db2.gz IOAIQWJIWHJYCR-UHFFFAOYSA-N 0 0 444.487 3.947 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c(C)n1C[C@@H]1CCCO1 ZINC000005414193 556799046 /nfs/dbraw/zinc/79/90/46/556799046.db2.gz DHIBAMCLMCAXEV-SFHVURJKSA-N 0 0 425.558 3.851 50 0 IHAARN CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2)CC1 ZINC000033050324 556799521 /nfs/dbraw/zinc/79/95/21/556799521.db2.gz UPRSCOPRFWMXJD-UHFFFAOYSA-N 0 0 436.581 3.703 50 0 IHAARN CCOc1ccc(OCCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 ZINC000002626912 556800640 /nfs/dbraw/zinc/80/06/40/556800640.db2.gz BYWHTTSVFNKQTL-FQEVSTJZSA-N 0 0 433.302 3.694 50 0 IHAARN Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(F)cc1 ZINC000072401913 556801814 /nfs/dbraw/zinc/80/18/14/556801814.db2.gz GKTNRZBMKHIMDE-PSXSOWLISA-N 0 0 448.545 3.891 50 0 IHAARN COc1cc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc(OC)c1 ZINC000002644163 556801926 /nfs/dbraw/zinc/80/19/26/556801926.db2.gz UCBLLJZFKPPDMG-UHFFFAOYSA-N 0 0 434.905 3.785 50 0 IHAARN O=C(NC1CCCCC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053179 556803385 /nfs/dbraw/zinc/80/33/85/556803385.db2.gz KMNBEYSHTJHUGT-UHFFFAOYSA-N 0 0 433.618 3.914 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000003060803 556803361 /nfs/dbraw/zinc/80/33/61/556803361.db2.gz QMBUAXWLKCODPE-KWMZMRFFSA-N 0 0 431.532 3.984 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000003060800 556803468 /nfs/dbraw/zinc/80/34/68/556803468.db2.gz QMBUAXWLKCODPE-FPAXGFGJSA-N 0 0 431.532 3.984 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000003060798 556803503 /nfs/dbraw/zinc/80/35/03/556803503.db2.gz QMBUAXWLKCODPE-YKUCYRFJSA-N 0 0 431.532 3.984 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000003231044 556806264 /nfs/dbraw/zinc/80/62/64/556806264.db2.gz AYNRYWRRMQZGMK-UHFFFAOYSA-N 0 0 436.555 3.660 50 0 IHAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)CCNC(=O)C(C)(C)C)cc2Cl)n1 ZINC000060098340 556806404 /nfs/dbraw/zinc/80/64/04/556806404.db2.gz ZLJJBKHFHWTSCE-OAHLLOKOSA-N 0 0 447.967 3.844 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCCCC2)o1 ZINC000097940820 556811197 /nfs/dbraw/zinc/81/11/97/556811197.db2.gz YBWRZGLIPYVPBN-UHFFFAOYSA-N 0 0 428.514 3.511 50 0 IHAARN O=C(C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)N1CCc2ccccc2C1 ZINC000061719655 556811204 /nfs/dbraw/zinc/81/12/04/556811204.db2.gz DHMNROYXHWPHBL-UHFFFAOYSA-N 0 0 438.535 3.593 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(CC(C)C)C(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000011203978 556811744 /nfs/dbraw/zinc/81/17/44/556811744.db2.gz FDWGXMQUBHATNY-GOSISDBHSA-N 0 0 429.502 3.691 50 0 IHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1Nc1ccccc1F ZINC000003417139 556814882 /nfs/dbraw/zinc/81/48/82/556814882.db2.gz NUOALUFVNGUGCG-UHFFFAOYSA-N 0 0 448.454 3.885 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@@H]3CCCCN3C4=O)CC2)c1C ZINC000097944046 556814935 /nfs/dbraw/zinc/81/49/35/556814935.db2.gz CWXBRVAIBRDOAV-DEOSSOPVSA-N 0 0 432.568 3.668 50 0 IHAARN Cc1ccc(-c2nc3c(c(S[C@H](C)C(=O)N4CCOCC4)n2)COC(C)(C)C3)cc1 ZINC000005477601 556815532 /nfs/dbraw/zinc/81/55/32/556815532.db2.gz HQBVJKISXBYILX-MRXNPFEDSA-N 0 0 427.570 3.643 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003450746 556816029 /nfs/dbraw/zinc/81/60/29/556816029.db2.gz JPEBQMHVRWTTMR-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)CCc3c(C)nn(CC)c3C)cc2c1C ZINC000033060116 556816225 /nfs/dbraw/zinc/81/62/25/556816225.db2.gz SDZHERSAKBJNIE-UHFFFAOYSA-N 0 0 447.557 3.614 50 0 IHAARN CCCCNC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063354 556818780 /nfs/dbraw/zinc/81/87/80/556818780.db2.gz XYFRJDULORGJSZ-KRWDZBQOSA-N 0 0 427.448 3.638 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067845 556819759 /nfs/dbraw/zinc/81/97/59/556819759.db2.gz CARRZRUJAUOYIP-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)N[C@H](C)c4ccccc4)nnc3c2=O)c1 ZINC000064591550 556825229 /nfs/dbraw/zinc/82/52/29/556825229.db2.gz RDNMPDSDASWYPI-LJQANCHMSA-N 0 0 429.524 3.697 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1 ZINC000065000973 556830378 /nfs/dbraw/zinc/83/03/78/556830378.db2.gz VJSLNAAYSKZQTF-UHFFFAOYSA-N 0 0 447.476 3.879 50 0 IHAARN CCOCCCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002248 556830722 /nfs/dbraw/zinc/83/07/22/556830722.db2.gz GELJWMXJKUBCQK-UHFFFAOYSA-N 0 0 436.531 3.857 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccccc4F)cc32)cc1 ZINC000065002676 556831007 /nfs/dbraw/zinc/83/10/07/556831007.db2.gz QUGGFUQAJWHKPU-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)c1C ZINC000065363091 556834783 /nfs/dbraw/zinc/83/47/83/556834783.db2.gz AOYNDGSGPNJRBN-UHFFFAOYSA-N 0 0 435.977 3.582 50 0 IHAARN Cc1nn(C)c2nc(C3CC3)cc(C3N=NC(=S)N3c3cnn(Cc4ccccc4)c3)c12 ZINC000019636507 556835312 /nfs/dbraw/zinc/83/53/12/556835312.db2.gz BVCRUCRMEFWHOU-UHFFFAOYSA-N 0 0 442.552 3.935 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)n1 ZINC000065364911 556835552 /nfs/dbraw/zinc/83/55/52/556835552.db2.gz YQKOHGIOWPYBPF-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc(C)n2)n1 ZINC000065364370 556835620 /nfs/dbraw/zinc/83/56/20/556835620.db2.gz UCAREWKEJSXJDG-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN O=C(c1cnn(Cc2ccccc2Cl)c1)N(CCO)Cc1ccccc1Br ZINC000062580474 556836179 /nfs/dbraw/zinc/83/61/79/556836179.db2.gz RSSLOGUUVRVNSB-UHFFFAOYSA-N 0 0 448.748 3.982 50 0 IHAARN O=C1NNC(=O)[C@H]2[C@H]1C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000096602742 556838296 /nfs/dbraw/zinc/83/82/96/556838296.db2.gz BSEQVLIOKBFFRT-JDPPGYRCSA-N 0 0 448.114 3.524 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1ccc(OC)cc1 ZINC000019646881 556840752 /nfs/dbraw/zinc/84/07/52/556840752.db2.gz TZYQMIZJZDRMII-UHFFFAOYSA-N 0 0 448.346 3.862 50 0 IHAARN COc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(C)cc3C)sc2c1 ZINC000022998464 556841007 /nfs/dbraw/zinc/84/10/07/556841007.db2.gz SYGLQWASYXQLCH-UHFFFAOYSA-N 0 0 439.581 3.830 50 0 IHAARN CCc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000067244897 556841933 /nfs/dbraw/zinc/84/19/33/556841933.db2.gz HRPILAFNQUFHSQ-UHFFFAOYSA-N 0 0 434.521 3.508 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1C ZINC000011213019 556842503 /nfs/dbraw/zinc/84/25/03/556842503.db2.gz MGLIUDXWRCMWFT-QHCPKHFHSA-N 0 0 426.582 3.972 50 0 IHAARN O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000011215194 556843314 /nfs/dbraw/zinc/84/33/14/556843314.db2.gz XUOAVKINJRYPFV-NRFANRHFSA-N 0 0 434.508 3.633 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c(C)c1 ZINC000067620815 556844762 /nfs/dbraw/zinc/84/47/62/556844762.db2.gz LMUUSLMNMHTGJU-UHFFFAOYSA-N 0 0 433.516 3.595 50 0 IHAARN O=C(/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCSc1ccccc1 ZINC000096793887 556845815 /nfs/dbraw/zinc/84/58/15/556845815.db2.gz MKMHSWZDIPRFPO-RAXLEYEMSA-N 0 0 442.562 3.680 50 0 IHAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000068713425 556849484 /nfs/dbraw/zinc/84/94/84/556849484.db2.gz FLWYHEOTALGMIU-SANMLTNESA-N 0 0 447.487 3.590 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C3CC3)n1-c1ccccc1)OCO2 ZINC000008860807 556851257 /nfs/dbraw/zinc/85/12/57/556851257.db2.gz GHDXBRFKOUJPKS-UHFFFAOYSA-N 0 0 436.493 3.807 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)c(OC)c1 ZINC000033071579 556851970 /nfs/dbraw/zinc/85/19/70/556851970.db2.gz FHRXBBYDMBTGNE-HNNXBMFYSA-N 0 0 428.920 3.766 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1OC ZINC000033071416 556852069 /nfs/dbraw/zinc/85/20/69/556852069.db2.gz SWSZSVIJXKHNKC-INIZCTEOSA-N 0 0 442.947 3.809 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000033078307 556853242 /nfs/dbraw/zinc/85/32/42/556853242.db2.gz ZLCZJNABWAOTIE-HXUWFJFHSA-N 0 0 449.624 3.815 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)N5CCC(C)CC5)CC4)c32)cc1 ZINC000033084850 556855054 /nfs/dbraw/zinc/85/50/54/556855054.db2.gz WBUROBMFVHWMTB-UHFFFAOYSA-N 0 0 435.528 3.768 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 ZINC000033089017 556858350 /nfs/dbraw/zinc/85/83/50/556858350.db2.gz ISFOOZHFUNHOAE-UHFFFAOYSA-N 0 0 426.270 3.531 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)C13CC4CC(CC(C4)C1)C3)CS(=O)(=O)C2 ZINC000004659390 556858402 /nfs/dbraw/zinc/85/84/02/556858402.db2.gz CWJBVRRZTNYGMW-UHFFFAOYSA-N 0 0 425.554 3.764 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N(C)Cc3ccco3)cc2)n1)C(=O)c1ccccc1 ZINC000033114370 556861143 /nfs/dbraw/zinc/86/11/43/556861143.db2.gz LWVGOOWRNAHBLP-UHFFFAOYSA-N 0 0 444.491 3.917 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000033122469 556863195 /nfs/dbraw/zinc/86/31/95/556863195.db2.gz YHMSCFKVLFEXDI-UHFFFAOYSA-N 0 0 441.475 3.989 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000033124743 556864542 /nfs/dbraw/zinc/86/45/42/556864542.db2.gz JTMVFTARJOPVGV-QGZVFWFLSA-N 0 0 431.851 3.830 50 0 IHAARN O=C(c1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1)N1CCOCC1 ZINC000033128518 556865485 /nfs/dbraw/zinc/86/54/85/556865485.db2.gz UNOSASWYQVODBM-UHFFFAOYSA-N 0 0 448.544 3.577 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(C)cc1 ZINC000033125480 556866599 /nfs/dbraw/zinc/86/65/99/556866599.db2.gz OGQUXXKLPOXQFT-HXUWFJFHSA-N 0 0 425.916 3.977 50 0 IHAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033139820 556874841 /nfs/dbraw/zinc/87/48/41/556874841.db2.gz ZGPYDYZYRWDVET-UHFFFAOYSA-N 0 0 426.952 3.805 50 0 IHAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(Cc2cccc(OC)c2)CC1 ZINC000019731091 556876784 /nfs/dbraw/zinc/87/67/84/556876784.db2.gz BUWRJXDALLBIOF-UHFFFAOYSA-N 0 0 449.599 3.533 50 0 IHAARN Ic1ccccc1-c1nn2c(CN3CCCCCC3)nnc2s1 ZINC000071260586 556879438 /nfs/dbraw/zinc/87/94/38/556879438.db2.gz MCEBKIPBXQCPHP-UHFFFAOYSA-N 0 0 439.326 3.833 50 0 IHAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3C)cc1S(=O)(=O)NCc1ccc(C)o1 ZINC000033171452 556882318 /nfs/dbraw/zinc/88/23/18/556882318.db2.gz DGQFJKIXGDGXNN-UHFFFAOYSA-N 0 0 440.525 3.710 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)CC1 ZINC000033171221 556882418 /nfs/dbraw/zinc/88/24/18/556882418.db2.gz HGUAONQKDGEOON-UHFFFAOYSA-N 0 0 445.928 3.707 50 0 IHAARN COc1cccc(CNC(=O)CSc2ncnc3c4cc(OC)c(OC)cc4[nH]c32)c1 ZINC000033172817 556883243 /nfs/dbraw/zinc/88/32/43/556883243.db2.gz ALQSRTQHDWPGPZ-UHFFFAOYSA-N 0 0 438.509 3.545 50 0 IHAARN O=C(Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1)c1ccccc1 ZINC000033173929 556883990 /nfs/dbraw/zinc/88/39/90/556883990.db2.gz RBQKVNCWOJGNGP-UHFFFAOYSA-N 0 0 432.505 3.788 50 0 IHAARN COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 ZINC000033173860 556884001 /nfs/dbraw/zinc/88/40/01/556884001.db2.gz FPEKQEORQOJRNY-UHFFFAOYSA-N 0 0 431.461 3.953 50 0 IHAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3ccc(Br)cc3)cc2)nc2cccnc21 ZINC000033170382 556885658 /nfs/dbraw/zinc/88/56/58/556885658.db2.gz PCEYLAHSESDXQU-UHFFFAOYSA-N 0 0 449.308 3.688 50 0 IHAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2)nc2cccnc21 ZINC000033170378 556885704 /nfs/dbraw/zinc/88/57/04/556885704.db2.gz CSKULUWEOKVMQC-UHFFFAOYSA-N 0 0 438.409 3.944 50 0 IHAARN COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCc2c[nH]c4ccccc24)C3)nn1 ZINC000019743762 556888651 /nfs/dbraw/zinc/88/86/51/556888651.db2.gz PAHHOKKZLXQXRL-SFHVURJKSA-N 0 0 446.482 3.825 50 0 IHAARN Cc1ccc2ncc(C(=O)N3CCSCC3)c(S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000033249378 556889110 /nfs/dbraw/zinc/88/91/10/556889110.db2.gz XEEIARWQYKWONI-UHFFFAOYSA-N 0 0 430.526 3.704 50 0 IHAARN O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)N1CCSCC1 ZINC000033249350 556889210 /nfs/dbraw/zinc/88/92/10/556889210.db2.gz YZGDCMWEWJWQJT-UHFFFAOYSA-N 0 0 432.954 3.910 50 0 IHAARN Cc1nc2cccnc2n1-c1cc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)ccc1Cl ZINC000033249856 556891260 /nfs/dbraw/zinc/89/12/60/556891260.db2.gz JAYXWDNHUGQFNC-AWEZNQCLSA-N 0 0 425.920 3.513 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)C1 ZINC000033250711 556891506 /nfs/dbraw/zinc/89/15/06/556891506.db2.gz VBFXNWNGPGLNTF-IHUUNXMQSA-N 0 0 449.548 3.608 50 0 IHAARN O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ncccn2)CC1 ZINC000033252408 556892988 /nfs/dbraw/zinc/89/29/88/556892988.db2.gz RSNJPSHEDDXKDO-UHFFFAOYSA-N 0 0 446.898 3.809 50 0 IHAARN CCn1cc(-c2nc(-c3cccc(F)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255995 556895247 /nfs/dbraw/zinc/89/52/47/556895247.db2.gz OJPNICVMFMJCDH-UHFFFAOYSA-N 0 0 438.434 3.853 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)cc2)no1 ZINC000033258210 556895944 /nfs/dbraw/zinc/89/59/44/556895944.db2.gz MIVMRVUECPZFKC-UHFFFAOYSA-N 0 0 437.500 3.670 50 0 IHAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)n3)cc2)no1 ZINC000033258543 556896095 /nfs/dbraw/zinc/89/60/95/556896095.db2.gz QAFYPDKHBFTLCR-UHFFFAOYSA-N 0 0 431.452 3.817 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)no1 ZINC000033258346 556896156 /nfs/dbraw/zinc/89/61/56/556896156.db2.gz XHWLERZCURRDNW-UHFFFAOYSA-N 0 0 435.484 3.943 50 0 IHAARN C[C@@H](NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1)c1ccccc1 ZINC000033260391 556897101 /nfs/dbraw/zinc/89/71/01/556897101.db2.gz KXBBBVVYRXAJBO-GOSISDBHSA-N 0 0 426.524 3.885 50 0 IHAARN CC[C@H](C)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccco1 ZINC000016097466 556897548 /nfs/dbraw/zinc/89/75/48/556897548.db2.gz DKZSCZZLERAGOG-UZUMKDMXSA-N 0 0 427.526 3.675 50 0 IHAARN COc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc1OC ZINC000033263672 556902380 /nfs/dbraw/zinc/90/23/80/556902380.db2.gz XJYWNWXZMKIUGR-UHFFFAOYSA-N 0 0 431.496 3.861 50 0 IHAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000036391563 556906984 /nfs/dbraw/zinc/90/69/84/556906984.db2.gz ZGTZWCWCLMJSHG-MDDUGHTDSA-N 0 0 435.929 3.748 50 0 IHAARN Cc1ccsc1CN1CC(=O)N(Cc2csc(C)n2)C[C@@H](OCc2ccncc2)C1 ZINC000019789863 556914879 /nfs/dbraw/zinc/91/48/79/556914879.db2.gz YEHPDFOUSGMURP-FQEVSTJZSA-N 0 0 442.610 3.646 50 0 IHAARN O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000019794657 556915926 /nfs/dbraw/zinc/91/59/26/556915926.db2.gz KLZSYBGVKVFLLQ-LJQANCHMSA-N 0 0 446.507 3.660 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 ZINC000019797520 556916557 /nfs/dbraw/zinc/91/65/57/556916557.db2.gz CKNPPZYUVINXIA-NRFANRHFSA-N 0 0 427.932 3.583 50 0 IHAARN COCC(=O)OCCN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019802477 556917845 /nfs/dbraw/zinc/91/78/45/556917845.db2.gz FRGCXZSGPORGBF-FQEVSTJZSA-N 0 0 447.000 3.896 50 0 IHAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000016636449 556919806 /nfs/dbraw/zinc/91/98/06/556919806.db2.gz KIWPKHZASYYSJX-UHFFFAOYSA-N 0 0 437.352 3.908 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1OC ZINC000019819190 556922053 /nfs/dbraw/zinc/92/20/53/556922053.db2.gz YOFPWUNNSLNZGG-UHFFFAOYSA-N 0 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0 0 426.488 3.853 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000023054599 557060493 /nfs/dbraw/zinc/06/04/93/557060493.db2.gz NLHFKTBIZPXHKH-UHFFFAOYSA-N 0 0 431.496 3.791 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC3=CCCCC3)c2c1 ZINC000017335020 557060730 /nfs/dbraw/zinc/06/07/30/557060730.db2.gz XTYOKSPPADPVHS-UHFFFAOYSA-N 0 0 431.558 3.591 50 0 IHAARN Cn1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(-c2cccnc2)n1 ZINC000048311061 557060912 /nfs/dbraw/zinc/06/09/12/557060912.db2.gz LINMHYVWBHHYFD-IBGZPJMESA-N 0 0 427.911 3.842 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000033284512 557063885 /nfs/dbraw/zinc/06/38/85/557063885.db2.gz WCCVDUYHFSIEIV-UHFFFAOYSA-N 0 0 431.521 3.699 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc3c(c2)OCO3)c(C(=O)OC)c1C ZINC000033288774 557066078 /nfs/dbraw/zinc/06/60/78/557066078.db2.gz QNFCWISMPWSZTO-NTMALXAHSA-N 0 0 444.509 3.706 50 0 IHAARN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)no1 ZINC000048332976 557068194 /nfs/dbraw/zinc/06/81/94/557068194.db2.gz GPAUIZJCJHERGZ-GFCCVEGCSA-N 0 0 425.316 3.511 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c(OC)c1 ZINC000033290504 557068882 /nfs/dbraw/zinc/06/88/82/557068882.db2.gz YSKWNAQJGOCTSG-KRWDZBQOSA-N 0 0 446.507 3.926 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3N)c(C)o2)cc1 ZINC000033291829 557070188 /nfs/dbraw/zinc/07/01/88/557070188.db2.gz TUWQXXWEHHRYGG-UHFFFAOYSA-N 0 0 432.484 3.750 50 0 IHAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000048343357 557071217 /nfs/dbraw/zinc/07/12/17/557071217.db2.gz CELOFCBVDFOGCF-OKILXGFUSA-N 0 0 439.387 3.564 50 0 IHAARN COC(=O)COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000048345705 557071992 /nfs/dbraw/zinc/07/19/92/557071992.db2.gz VFEIWBVZWCXFBE-OAHLLOKOSA-N 0 0 425.510 3.703 50 0 IHAARN O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000023213169 557073626 /nfs/dbraw/zinc/07/36/26/557073626.db2.gz FINCSMNWUMONBE-UHFFFAOYSA-N 0 0 438.547 3.884 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CSc2nccc3c2ccn3Cc2ccccc2)CC1 ZINC000033298395 557074181 /nfs/dbraw/zinc/07/41/81/557074181.db2.gz BPWDOJHFZVHNSF-UHFFFAOYSA-N 0 0 437.565 3.978 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1 ZINC000033298906 557074891 /nfs/dbraw/zinc/07/48/91/557074891.db2.gz FIVXRFRCTHRVDJ-UHFFFAOYSA-N 0 0 436.580 3.770 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298933 557074914 /nfs/dbraw/zinc/07/49/14/557074914.db2.gz DADQYJSHDSITDG-UHFFFAOYSA-N 0 0 430.960 3.685 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2s1 ZINC000033298879 557075084 /nfs/dbraw/zinc/07/50/84/557075084.db2.gz SETAAQGURZGBNG-UHFFFAOYSA-N 0 0 430.960 3.853 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCc2ccccc21 ZINC000011284281 557076610 /nfs/dbraw/zinc/07/66/10/557076610.db2.gz YIQBUFDQCKPPBT-KRWDZBQOSA-N 0 0 438.499 3.589 50 0 IHAARN COc1ccc(-c2cc3ncn(CC(=O)NCc4ccc(C)c(F)c4)c(=O)c3s2)cc1 ZINC000011294809 557081042 /nfs/dbraw/zinc/08/10/42/557081042.db2.gz AUOXJAVQQBJXTO-UHFFFAOYSA-N 0 0 437.496 3.898 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccccc3F)c2n1 ZINC000049002078 557081638 /nfs/dbraw/zinc/08/16/38/557081638.db2.gz JSKKBUUKHMKHMK-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN Cc1nc(-c2ccccc2)sc1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000048985242 557081967 /nfs/dbraw/zinc/08/19/67/557081967.db2.gz LWEVFBPRZBIDQR-UHFFFAOYSA-N 0 0 435.549 3.734 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(C)c(F)c2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000048985751 557081974 /nfs/dbraw/zinc/08/19/74/557081974.db2.gz GOWWQDWCXNNAJX-UHFFFAOYSA-N 0 0 435.503 3.577 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)ncn3n2)cc1 ZINC000048986238 557082294 /nfs/dbraw/zinc/08/22/94/557082294.db2.gz DRQRHOGYCGIGCN-UHFFFAOYSA-N 0 0 442.479 3.617 50 0 IHAARN CC(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 ZINC000023290705 557082417 /nfs/dbraw/zinc/08/24/17/557082417.db2.gz RTTYAGJXRBDKLW-BKMJKUGQSA-N 0 0 433.552 3.846 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000033302700 557084048 /nfs/dbraw/zinc/08/40/48/557084048.db2.gz ZAWGPAYTCUSQEV-LJQANCHMSA-N 0 0 436.581 3.557 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000011313151 557084317 /nfs/dbraw/zinc/08/43/17/557084317.db2.gz RPCGQFBKIVGBTJ-GOSISDBHSA-N 0 0 429.502 3.513 50 0 IHAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)Nc2ccccc2)CC1 ZINC000049005904 557084596 /nfs/dbraw/zinc/08/45/96/557084596.db2.gz BZBAUQJTTXXYEJ-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000010901801 557085291 /nfs/dbraw/zinc/08/52/91/557085291.db2.gz RZZCLBXCZZEQNI-XMMPIXPASA-N 0 0 441.531 3.693 50 0 IHAARN Cc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)c1C ZINC000049008533 557086513 /nfs/dbraw/zinc/08/65/13/557086513.db2.gz PMGUULVUJYKWDW-UHFFFAOYSA-N 0 0 441.850 3.731 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c(C)c1 ZINC000049008654 557086641 /nfs/dbraw/zinc/08/66/41/557086641.db2.gz QNNIJNHWSXIHCM-UHFFFAOYSA-N 0 0 431.496 3.864 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000010904815 557086733 /nfs/dbraw/zinc/08/67/33/557086733.db2.gz QGUFAHAQTKQRRK-UHFFFAOYSA-N 0 0 432.568 3.892 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000049008992 557086927 /nfs/dbraw/zinc/08/69/27/557086927.db2.gz PSDXZZOKJPJHLP-UHFFFAOYSA-N 0 0 431.949 3.916 50 0 IHAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)NCc1ccccc1 ZINC000033308161 557087892 /nfs/dbraw/zinc/08/78/92/557087892.db2.gz WHPAHSFFWMGYRB-UHFFFAOYSA-N 0 0 433.537 3.733 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000023379826 557088829 /nfs/dbraw/zinc/08/88/29/557088829.db2.gz BIIFFBOJZBHFTF-DEOSSOPVSA-N 0 0 444.535 3.788 50 0 IHAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCCC1)NCc1ccccc1Cl ZINC000033308774 557089810 /nfs/dbraw/zinc/08/98/10/557089810.db2.gz FQKGRQIOXJTFGA-UHFFFAOYSA-N 0 0 430.961 3.808 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000049002196 557089876 /nfs/dbraw/zinc/08/98/76/557089876.db2.gz HLXOPPIGMFFHDX-UHFFFAOYSA-N 0 0 438.915 3.623 50 0 IHAARN Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000049002348 557090116 /nfs/dbraw/zinc/09/01/16/557090116.db2.gz ZCMNINOUHWPMDB-UHFFFAOYSA-N 0 0 444.564 3.970 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000049002423 557090163 /nfs/dbraw/zinc/09/01/63/557090163.db2.gz PRGAQODQHVDVFS-UHFFFAOYSA-N 0 0 432.411 3.546 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCC[C@H](C)C1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760081 557090442 /nfs/dbraw/zinc/09/04/42/557090442.db2.gz HYADHBUNLOWEPW-SZFUDVHCSA-N 0 0 428.554 3.934 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c(OC)c1 ZINC000049003150 557090759 /nfs/dbraw/zinc/09/07/59/557090759.db2.gz KGBWWWVGUIOBDM-UHFFFAOYSA-N 0 0 441.915 3.504 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 ZINC000049002925 557090801 /nfs/dbraw/zinc/09/08/01/557090801.db2.gz UGFPXAIVJSSATO-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CCc2nnc3ccc(-c4ccccc4)nn32)cc1OC ZINC000033309520 557091931 /nfs/dbraw/zinc/09/19/31/557091931.db2.gz JYYPYDUADBLVNE-MRXNPFEDSA-N 0 0 431.496 3.619 50 0 IHAARN COc1ccc(CNC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)cc1OC ZINC000033309575 557092376 /nfs/dbraw/zinc/09/23/76/557092376.db2.gz JENKTNSZEKMYOU-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1nc(-c2ccc(Cl)c(F)c2)no1 ZINC000049004308 557092523 /nfs/dbraw/zinc/09/25/23/557092523.db2.gz KYQCRWBNVAHTLO-UHFFFAOYSA-N 0 0 440.797 3.588 50 0 IHAARN Cc1cccc(NC(=O)CSc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000033309972 557092583 /nfs/dbraw/zinc/09/25/83/557092583.db2.gz DPYFGOJHZJCTSE-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(CC(=O)NCc4ccccc4)CC3)s2)cc1 ZINC000049367166 557094587 /nfs/dbraw/zinc/09/45/87/557094587.db2.gz CGYWGSNURLUPMV-UHFFFAOYSA-N 0 0 436.581 3.633 50 0 IHAARN O=C(CCC1CCCC1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000049406242 557095192 /nfs/dbraw/zinc/09/51/92/557095192.db2.gz ZQPLONFPSFGWGE-UHFFFAOYSA-N 0 0 429.952 3.612 50 0 IHAARN COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3ccccc3C)n2)CC1 ZINC000049399546 557095363 /nfs/dbraw/zinc/09/53/63/557095363.db2.gz REIJJKSKKSXHFN-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(OC)cc1 ZINC000049400973 557096650 /nfs/dbraw/zinc/09/66/50/557096650.db2.gz BVWKMRVVYYFBLT-UHFFFAOYSA-N 0 0 444.491 3.788 50 0 IHAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)ncn2)c1 ZINC000049402025 557097310 /nfs/dbraw/zinc/09/73/10/557097310.db2.gz VHUREYKDJKUHEQ-LJQANCHMSA-N 0 0 426.586 3.756 50 0 IHAARN CC1CCN(C(=O)C2=NN(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)CC1 ZINC000049402553 557097922 /nfs/dbraw/zinc/09/79/22/557097922.db2.gz FFAFHEKNQWUBSE-UHFFFAOYSA-N 0 0 431.945 3.706 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)c1OC ZINC000033318308 557099665 /nfs/dbraw/zinc/09/96/65/557099665.db2.gz LJFROTZDQMYLFG-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3cccc(F)c3)cccn12 ZINC000049404886 557099800 /nfs/dbraw/zinc/09/98/00/557099800.db2.gz FQUAVPCAZIXATA-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)c1 ZINC000049406430 557101560 /nfs/dbraw/zinc/10/15/60/557101560.db2.gz VSTRNIWBQVUHPH-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n21 ZINC000049407153 557102489 /nfs/dbraw/zinc/10/24/89/557102489.db2.gz QNIVTMHCCGCLHV-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN CCOc1ccccc1C(=O)NC1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000049406880 557102618 /nfs/dbraw/zinc/10/26/18/557102618.db2.gz JUSVOTKHCAUJHG-UHFFFAOYSA-N 0 0 436.487 3.649 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)c(C)c1C(=O)OC(C)C ZINC000085621450 557102885 /nfs/dbraw/zinc/10/28/85/557102885.db2.gz GDNKZODVYVTVCK-HXUWFJFHSA-N 0 0 439.556 3.674 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)c(C)c1C(=O)OC(C)C ZINC000085621453 557102926 /nfs/dbraw/zinc/10/29/26/557102926.db2.gz GDNKZODVYVTVCK-FQEVSTJZSA-N 0 0 439.556 3.674 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(OC)cc3)cn21 ZINC000049408348 557103081 /nfs/dbraw/zinc/10/30/81/557103081.db2.gz OCWUVWCUIXKMAG-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000049408335 557103157 /nfs/dbraw/zinc/10/31/57/557103157.db2.gz JQIHNFGNCBTJAK-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(OC)cc3)c3cccc(F)c3)cn21 ZINC000049408504 557103373 /nfs/dbraw/zinc/10/33/73/557103373.db2.gz ULHFYQFSGUMRJE-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)c1 ZINC000049409658 557104633 /nfs/dbraw/zinc/10/46/33/557104633.db2.gz YQBJDIPCVQNIQT-IBGZPJMESA-N 0 0 448.571 3.699 50 0 IHAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147533 557104823 /nfs/dbraw/zinc/10/48/23/557104823.db2.gz GPBXCJRKBVYCMZ-UHFFFAOYSA-N 0 0 445.548 3.914 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)cc1 ZINC000033320957 557104853 /nfs/dbraw/zinc/10/48/53/557104853.db2.gz ZNSUREWBIJSLSJ-UHFFFAOYSA-N 0 0 448.548 3.933 50 0 IHAARN CCN(CC)c1ccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cn1 ZINC000049409722 557104996 /nfs/dbraw/zinc/10/49/96/557104996.db2.gz RKVNNXSCVBQGDZ-UHFFFAOYSA-N 0 0 426.952 3.953 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C ZINC000017659116 557105565 /nfs/dbraw/zinc/10/55/65/557105565.db2.gz GBTVKWVBUHTWBF-DOMZBBRYSA-N 0 0 443.481 3.677 50 0 IHAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccc(C)cc3)ccc2n1C ZINC000033320995 557105703 /nfs/dbraw/zinc/10/57/03/557105703.db2.gz PZWHIPBENXADRE-UHFFFAOYSA-N 0 0 436.556 3.994 50 0 IHAARN CCCCc1c(C)n(CC(=O)NCc2ccc(C)cc2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324714 557106685 /nfs/dbraw/zinc/10/66/85/557106685.db2.gz TYTCXLSARJRNRE-UHFFFAOYSA-N 0 0 443.551 3.834 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O ZINC000049411528 557106943 /nfs/dbraw/zinc/10/69/43/557106943.db2.gz KYIXLERHNLTBLP-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)c(F)c1 ZINC000023700583 557107652 /nfs/dbraw/zinc/10/76/52/557107652.db2.gz KNUWQVJCPKIGEP-UHFFFAOYSA-N 0 0 441.484 3.898 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000049421325 557107768 /nfs/dbraw/zinc/10/77/68/557107768.db2.gz HGLRQBNUMRZUNV-GOEBONIOSA-N 0 0 440.569 3.791 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325809 557107770 /nfs/dbraw/zinc/10/77/70/557107770.db2.gz NGOZJQLNMQBZHA-FQEVSTJZSA-N 0 0 435.549 3.729 50 0 IHAARN COc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccc(C)cc5)n4ccn3n2)cc1 ZINC000049421728 557108619 /nfs/dbraw/zinc/10/86/19/557108619.db2.gz TYKZQYNDXMCWNR-UHFFFAOYSA-N 0 0 440.507 3.610 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2N)cc1 ZINC000010921534 557109409 /nfs/dbraw/zinc/10/94/09/557109409.db2.gz YNZBWVOKWUIXBN-UHFFFAOYSA-N 0 0 438.340 3.629 50 0 IHAARN COC(=O)C[C@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414559 557109912 /nfs/dbraw/zinc/10/99/12/557109912.db2.gz XDCCQCNAPGPDHU-HXUWFJFHSA-N 0 0 431.492 3.676 50 0 IHAARN CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)C23CCCCC3)s1 ZINC000049544124 557110857 /nfs/dbraw/zinc/11/08/57/557110857.db2.gz HBMPNAZFYCXCAD-GOSISDBHSA-N 0 0 428.558 3.628 50 0 IHAARN COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1OC ZINC000049546217 557111646 /nfs/dbraw/zinc/11/16/46/557111646.db2.gz FQKXBTWKTCSRNO-CYBMUJFWSA-N 0 0 432.448 3.943 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1c(F)cccc1F ZINC000049547198 557112153 /nfs/dbraw/zinc/11/21/53/557112153.db2.gz JFTFFRUFCBQTFU-CYBMUJFWSA-N 0 0 448.422 3.700 50 0 IHAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000023762016 557114922 /nfs/dbraw/zinc/11/49/22/557114922.db2.gz QDJJWSJVANMUKM-HSZRJFAPSA-N 0 0 444.959 3.735 50 0 IHAARN CC[C@@H](NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000049625236 557115866 /nfs/dbraw/zinc/11/58/66/557115866.db2.gz RELHNTYDSWUANL-OAHLLOKOSA-N 0 0 432.318 3.944 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000033331921 557116318 /nfs/dbraw/zinc/11/63/18/557116318.db2.gz SEDAKFSWGUBXBG-XCNDVJPKSA-N 0 0 429.561 3.959 50 0 IHAARN C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023805222 557116637 /nfs/dbraw/zinc/11/66/37/557116637.db2.gz ASXBSMBGWSTHFH-CQSZACIVSA-N 0 0 426.870 3.927 50 0 IHAARN O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(I)cc1 ZINC000113562501 557117174 /nfs/dbraw/zinc/11/71/74/557117174.db2.gz XQLKEXFYPRPEDF-MRXNPFEDSA-N 0 0 431.233 3.517 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC000001196069 557119912 /nfs/dbraw/zinc/11/99/12/557119912.db2.gz DYVYOJKDUTUKMU-INIZCTEOSA-N 0 0 436.249 3.893 50 0 IHAARN O=C1C(=O)N(CN2CCCC[C@H]2c2nc3ccccc3s2)C(=O)N1Cc1ccccc1 ZINC000023856104 557120706 /nfs/dbraw/zinc/12/07/06/557120706.db2.gz ZZWVZQYOXOENSQ-SFHVURJKSA-N 0 0 434.521 3.772 50 0 IHAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023881808 557122604 /nfs/dbraw/zinc/12/26/04/557122604.db2.gz SRYSANAOYFZDSA-MRXNPFEDSA-N 0 0 443.598 3.568 50 0 IHAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)CSc1nnnn1-c1ccccc1 ZINC000098086763 557122675 /nfs/dbraw/zinc/12/26/75/557122675.db2.gz RJRFBFDKGDWYHX-UHFFFAOYSA-N 0 0 426.933 3.556 50 0 IHAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023881812 557122711 /nfs/dbraw/zinc/12/27/11/557122711.db2.gz SRYSANAOYFZDSA-INIZCTEOSA-N 0 0 443.598 3.568 50 0 IHAARN CCc1sc2nc(SCCN3CCOCC3)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000023880935 557122758 /nfs/dbraw/zinc/12/27/58/557122758.db2.gz GZMJXKMXZURRJZ-UHFFFAOYSA-N 0 0 445.610 3.751 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098086474 557123250 /nfs/dbraw/zinc/12/32/50/557123250.db2.gz KONAWPLBZBEDLR-OJSMNCEXSA-N 0 0 427.547 3.849 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098086475 557123312 /nfs/dbraw/zinc/12/33/12/557123312.db2.gz KONAWPLBZBEDLR-WELAQSEPSA-N 0 0 427.547 3.849 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098086476 557123328 /nfs/dbraw/zinc/12/33/28/557123328.db2.gz KONAWPLBZBEDLR-AXWGZAFASA-N 0 0 427.547 3.849 50 0 IHAARN COc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000023908261 557124801 /nfs/dbraw/zinc/12/48/01/557124801.db2.gz LRRJVIPFFCAOER-UHFFFAOYSA-N 0 0 432.524 3.596 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCSCc4ccccc4)ccc3c2=O)cc1 ZINC000004793091 557125014 /nfs/dbraw/zinc/12/50/14/557125014.db2.gz RAGZTCHEORQGBR-UHFFFAOYSA-N 0 0 445.544 3.651 50 0 IHAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846070 557125571 /nfs/dbraw/zinc/12/55/71/557125571.db2.gz NMDKFTLKXMLKHK-UHFFFAOYSA-N 0 0 426.563 3.703 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccco3)s2)c(C)c1 ZINC000206686479 557126590 /nfs/dbraw/zinc/12/65/90/557126590.db2.gz ALKHOIMNVKABLV-FQEVSTJZSA-N 0 0 434.539 3.558 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000017884085 557126925 /nfs/dbraw/zinc/12/69/25/557126925.db2.gz BJIWAPMBAPLWSF-UHFFFAOYSA-N 0 0 428.828 3.989 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000017862955 557126973 /nfs/dbraw/zinc/12/69/73/557126973.db2.gz MRCGOHFUSXTGCZ-UHFFFAOYSA-N 0 0 441.329 3.713 50 0 IHAARN C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NCC(F)(F)F ZINC000017880580 557127301 /nfs/dbraw/zinc/12/73/01/557127301.db2.gz BQQMNLLUDDOVTI-NSHDSACASA-N 0 0 433.887 3.680 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000023989921 557130240 /nfs/dbraw/zinc/13/02/40/557130240.db2.gz QHMIETQXQVUMFL-XMMPIXPASA-N 0 0 435.524 3.674 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000017957636 557130611 /nfs/dbraw/zinc/13/06/11/557130611.db2.gz BDRQQVAGJXUMJI-UHFFFAOYSA-N 0 0 438.318 3.685 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(NCC(=O)Nc3c(C)cccc3C)c2c1C ZINC000023994629 557130643 /nfs/dbraw/zinc/13/06/43/557130643.db2.gz PZADDBLZKKHFOW-UHFFFAOYSA-N 0 0 439.585 3.808 50 0 IHAARN Cc1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)sc1C ZINC000024007087 557131493 /nfs/dbraw/zinc/13/14/93/557131493.db2.gz WYPDJUSYLLVPRL-UHFFFAOYSA-N 0 0 440.569 3.538 50 0 IHAARN COCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002959120 557134432 /nfs/dbraw/zinc/13/44/32/557134432.db2.gz UMDIJBZBWFMTIR-UHFFFAOYSA-N 0 0 438.549 3.848 50 0 IHAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)coc2c1 ZINC000017968987 557134800 /nfs/dbraw/zinc/13/48/00/557134800.db2.gz ZGJQBUAMCKSIKS-CALCHBBNSA-N 0 0 442.537 3.720 50 0 IHAARN COc1ccc(CN(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c32)C2CC2)cc1 ZINC000024109019 557137764 /nfs/dbraw/zinc/13/77/64/557137764.db2.gz PUKFABFGYSHKIS-UHFFFAOYSA-N 0 0 435.480 3.765 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCCC(C)C)CC4)sc3n2)cc1 ZINC000006876789 557138217 /nfs/dbraw/zinc/13/82/17/557138217.db2.gz XDLLOOVFRQHVEC-UHFFFAOYSA-N 0 0 427.574 3.845 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cn4ccccc4=O)o3)c2cc1Cl ZINC000024207995 557140709 /nfs/dbraw/zinc/14/07/09/557140709.db2.gz BMPABBMWKSZPOR-UHFFFAOYSA-N 0 0 425.824 3.915 50 0 IHAARN CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004764102 557142752 /nfs/dbraw/zinc/14/27/52/557142752.db2.gz YYSYPZWUKZYOPJ-GHTZIAJQSA-N 0 0 426.513 3.576 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024797383 557143686 /nfs/dbraw/zinc/14/36/86/557143686.db2.gz NPQVCYXFQUVZBU-UHFFFAOYSA-N 0 0 444.413 3.937 50 0 IHAARN O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(I)cc1 ZINC000010941677 557144436 /nfs/dbraw/zinc/14/44/36/557144436.db2.gz RDENHDXHZFIZKG-UHFFFAOYSA-N 0 0 435.265 3.690 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 ZINC000024358621 557144925 /nfs/dbraw/zinc/14/49/25/557144925.db2.gz LOAVSDKBBXJLPD-UHFFFAOYSA-N 0 0 430.936 3.834 50 0 IHAARN COC(=O)c1cccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2OC)c1 ZINC000024356767 557145010 /nfs/dbraw/zinc/14/50/10/557145010.db2.gz YPQDICCPKYYOCW-UHFFFAOYSA-N 0 0 426.537 3.728 50 0 IHAARN CS(=O)(=O)NC1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000011449460 557147966 /nfs/dbraw/zinc/14/79/66/557147966.db2.gz NIGHYAMBTFBRCG-UHFFFAOYSA-N 0 0 439.002 3.786 50 0 IHAARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024500285 557148718 /nfs/dbraw/zinc/14/87/18/557148718.db2.gz KYCNPKSPAIJYGW-MRXNPFEDSA-N 0 0 445.928 3.598 50 0 IHAARN O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024564311 557151032 /nfs/dbraw/zinc/15/10/32/557151032.db2.gz HTTYVHNWRYDORX-QFIPXVFZSA-N 0 0 437.588 3.837 50 0 IHAARN Ic1ccc(Nc2nc3nonc3nc2NCc2ccco2)cc1 ZINC000000720556 557152744 /nfs/dbraw/zinc/15/27/44/557152744.db2.gz LGYSSFLRUVVWBG-UHFFFAOYSA-N 0 0 434.197 3.566 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccnc1N1CCCC1 ZINC000024601852 557152854 /nfs/dbraw/zinc/15/28/54/557152854.db2.gz AHNNNXQWGNBWKJ-UHFFFAOYSA-N 0 0 440.544 3.568 50 0 IHAARN Cc1cccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000024606784 557153393 /nfs/dbraw/zinc/15/33/93/557153393.db2.gz WPPAPSIXHDXEKJ-SFHVURJKSA-N 0 0 438.640 3.507 50 0 IHAARN O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606772 557153405 /nfs/dbraw/zinc/15/34/05/557153405.db2.gz DHLKQKALQTXVNV-CQSZACIVSA-N 0 0 445.031 3.711 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2F)c1 ZINC000011499817 557154102 /nfs/dbraw/zinc/15/41/02/557154102.db2.gz LJVHUCVPAMBQDG-UHFFFAOYSA-N 0 0 429.469 3.887 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000024609022 557154232 /nfs/dbraw/zinc/15/42/32/557154232.db2.gz HBHUSMSDVSTPDN-UHFFFAOYSA-N 0 0 430.570 3.963 50 0 IHAARN CCn1c2ccccc2n(CC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000024691552 557158721 /nfs/dbraw/zinc/15/87/21/557158721.db2.gz XLGBKZMPVXDUIB-MRXNPFEDSA-N 0 0 436.537 3.645 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C ZINC000011537930 557160681 /nfs/dbraw/zinc/16/06/81/557160681.db2.gz UAFLYXVJAQWPBE-GRDNDAEWSA-N 0 0 431.562 3.641 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000024749743 557162345 /nfs/dbraw/zinc/16/23/45/557162345.db2.gz LFYMXTOVMCXIIB-CYBMUJFWSA-N 0 0 430.863 3.752 50 0 IHAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCCN3C(=O)NC(C)(C)C3=O)c2C1 ZINC000024756647 557163270 /nfs/dbraw/zinc/16/32/70/557163270.db2.gz ORURNKYNSBELCM-HNNXBMFYSA-N 0 0 437.540 3.873 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000206786689 557163437 /nfs/dbraw/zinc/16/34/37/557163437.db2.gz LHIGVEVTETVNGD-GFCCVEGCSA-N 0 0 444.251 3.880 50 0 IHAARN C[C@@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 ZINC000069923636 557166220 /nfs/dbraw/zinc/16/62/20/557166220.db2.gz PYQZBVFXPRPHTA-HZPDHXFCSA-N 0 0 449.444 3.588 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 ZINC000024774489 557166316 /nfs/dbraw/zinc/16/63/16/557166316.db2.gz DVUPEJHSLVLJOM-UHFFFAOYSA-N 0 0 445.566 3.673 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000024775147 557166705 /nfs/dbraw/zinc/16/67/05/557166705.db2.gz YTELFJZWRTVSNX-RXVVDRJESA-N 0 0 436.508 3.921 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000024791702 557168012 /nfs/dbraw/zinc/16/80/12/557168012.db2.gz MQJKVICBYQTVQB-CVEARBPZSA-N 0 0 430.526 3.634 50 0 IHAARN CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000024804358 557168462 /nfs/dbraw/zinc/16/84/62/557168462.db2.gz FRLITRCVSCWESS-UHFFFAOYSA-N 0 0 432.249 3.785 50 0 IHAARN COc1ccc(OCCN(C)C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000024832267 557170976 /nfs/dbraw/zinc/17/09/76/557170976.db2.gz MCJQIPBEGWXULL-UHFFFAOYSA-N 0 0 444.487 3.642 50 0 IHAARN NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000024835614 557171981 /nfs/dbraw/zinc/17/19/81/557171981.db2.gz WFKFUTMCCROLNT-OAQYLSRUSA-N 0 0 435.911 3.983 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000000779429 557174633 /nfs/dbraw/zinc/17/46/33/557174633.db2.gz MJFYUXDZXSNWJL-AWEZNQCLSA-N 0 0 429.929 3.960 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000000779428 557174769 /nfs/dbraw/zinc/17/47/69/557174769.db2.gz MJFYUXDZXSNWJL-CQSZACIVSA-N 0 0 429.929 3.960 50 0 IHAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3)C1=CCCC1 ZINC000024865681 557175335 /nfs/dbraw/zinc/17/53/35/557175335.db2.gz YFGYZDDERMWYDP-OAHLLOKOSA-N 0 0 445.610 3.744 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1OC ZINC000024876413 557176357 /nfs/dbraw/zinc/17/63/57/557176357.db2.gz UAQDEFDMZXCALO-UHFFFAOYSA-N 0 0 437.452 3.502 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000024883924 557176822 /nfs/dbraw/zinc/17/68/22/557176822.db2.gz UXKWETDEDLNSGD-CYBMUJFWSA-N 0 0 438.586 3.741 50 0 IHAARN Cc1cc(C)cc(N(C(=O)Cn2cnc3c(cnn3C)c2=O)c2nc3ccccc3s2)c1 ZINC000024951125 557182133 /nfs/dbraw/zinc/18/21/33/557182133.db2.gz HVHOAJXMFIEXSD-UHFFFAOYSA-N 0 0 444.520 3.721 50 0 IHAARN COc1cc(-c2ncc(C(=O)NCc3ccco3)c(N(C)C(C)C)n2)cc(OC)c1OC ZINC000096210094 557183028 /nfs/dbraw/zinc/18/30/28/557183028.db2.gz LRNMMWFMPHGXSK-UHFFFAOYSA-N 0 0 440.500 3.537 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000096211272 557183684 /nfs/dbraw/zinc/18/36/84/557183684.db2.gz HZCDWGQJJUKWEK-ZEQRLZLVSA-N 0 0 449.595 3.550 50 0 IHAARN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302787 557185705 /nfs/dbraw/zinc/18/57/05/557185705.db2.gz OAFITUSGKPNZAZ-UHFFFAOYSA-N 0 0 444.586 3.954 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CN2C(=S)N=NC2c2cccc(C)c2)cc1OC ZINC000024985105 557186127 /nfs/dbraw/zinc/18/61/27/557186127.db2.gz KGXTXCKWCCFNJU-GOSISDBHSA-N 0 0 438.553 3.923 50 0 IHAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCc2nnc(-c3ccccc3)o2)n1C ZINC000009327607 557186615 /nfs/dbraw/zinc/18/66/15/557186615.db2.gz QSTQIZJVSKGZGX-ZDUSSCGKSA-N 0 0 438.488 3.788 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1Cl ZINC000024988039 557186764 /nfs/dbraw/zinc/18/67/64/557186764.db2.gz MFRFDMFAVDEWBV-UHFFFAOYSA-N 0 0 435.977 3.511 50 0 IHAARN COc1ccc2nc(NC(=O)CSc3nnc(Cc4ccccc4)n3C)sc2c1 ZINC000009328744 557187310 /nfs/dbraw/zinc/18/73/10/557187310.db2.gz JCFRSXGIDLITRY-UHFFFAOYSA-N 0 0 425.539 3.755 50 0 IHAARN CCn1c2ccccc2sc1=NC(=O)CSCC(=O)N1CCCc2ccccc21 ZINC000100825478 557189461 /nfs/dbraw/zinc/18/94/61/557189461.db2.gz DYHPVJMKVKZUQA-FCQUAONHSA-N 0 0 425.579 3.863 50 0 IHAARN COc1ccc(-c2noc(CCC(=O)NCCCn3ccc4ccccc43)n2)cc1OC ZINC000025045684 557190270 /nfs/dbraw/zinc/19/02/70/557190270.db2.gz WEHFICCOVWOUFY-UHFFFAOYSA-N 0 0 434.496 3.848 50 0 IHAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100872576 557194413 /nfs/dbraw/zinc/19/44/13/557194413.db2.gz CMYWWBQQTBUBKH-VZCXRCSSSA-N 0 0 434.359 3.919 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025076992 557194569 /nfs/dbraw/zinc/19/45/69/557194569.db2.gz CVVYJAVVCKLANR-OAQYLSRUSA-N 0 0 446.482 3.871 50 0 IHAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000789564 557194800 /nfs/dbraw/zinc/19/48/00/557194800.db2.gz KLYLIRJKFFVWEM-UHFFFAOYSA-N 0 0 434.561 3.993 50 0 IHAARN CCOC(=O)Cn1c2ccc(Br)cc2sc1=NC(=O)Cc1ccccc1 ZINC000100877295 557195649 /nfs/dbraw/zinc/19/56/49/557195649.db2.gz AOQIXXPCYORLCH-VZCXRCSSSA-N 0 0 433.327 3.698 50 0 IHAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000025139778 557196466 /nfs/dbraw/zinc/19/64/66/557196466.db2.gz ONYFBWKDGMWGJD-SFHVURJKSA-N 0 0 447.583 3.621 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc([C@H](C)CC)nc(C)c2Cc2ccccc2F)CC1 ZINC000096317102 557198851 /nfs/dbraw/zinc/19/88/51/557198851.db2.gz GUECKUZIWPOGHK-QGZVFWFLSA-N 0 0 448.608 3.890 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100935946 557202606 /nfs/dbraw/zinc/20/26/06/557202606.db2.gz NWCVKNREMOYHHI-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccccc1 ZINC000025326252 557204210 /nfs/dbraw/zinc/20/42/10/557204210.db2.gz ZMCBSWPSNRBEBE-DEOSSOPVSA-N 0 0 432.495 3.860 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nnc(N(C(C)=O)C2CC2)s1 ZINC000025364490 557205922 /nfs/dbraw/zinc/20/59/22/557205922.db2.gz MUOYQTKOLJRIIW-UHFFFAOYSA-N 0 0 428.539 3.989 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100948626 557206098 /nfs/dbraw/zinc/20/60/98/557206098.db2.gz ABDDYAVXEVEATF-OAQYLSRUSA-N 0 0 441.553 3.750 50 0 IHAARN O=C(CN1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1)N1CCCCC1 ZINC000025384078 557206615 /nfs/dbraw/zinc/20/66/15/557206615.db2.gz ZVDYUJZMPLHNRO-UHFFFAOYSA-N 0 0 427.595 3.886 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000025407481 557208609 /nfs/dbraw/zinc/20/86/09/557208609.db2.gz CWJPYIRHPZTQHN-UHFFFAOYSA-N 0 0 427.482 3.562 50 0 IHAARN COc1cc(NC(=O)COC(=O)c2c(C)c(C)sc2NC(=O)C2CC2)cc(OC)c1 ZINC000025444486 557210112 /nfs/dbraw/zinc/21/01/12/557210112.db2.gz FOOIEEIFMSHELE-UHFFFAOYSA-N 0 0 432.498 3.526 50 0 IHAARN CCCn1ccnc1SCC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C1CC1 ZINC000025460356 557211079 /nfs/dbraw/zinc/21/10/79/557211079.db2.gz DHLLBONLOMZJGC-IBGZPJMESA-N 0 0 426.542 3.741 50 0 IHAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169770270 557211704 /nfs/dbraw/zinc/21/17/04/557211704.db2.gz WPDLSGGKKQUMHQ-UHFFFAOYSA-N 0 0 444.457 3.967 50 0 IHAARN Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000025527794 557213008 /nfs/dbraw/zinc/21/30/08/557213008.db2.gz OQCVHDDPWCVNFL-UHFFFAOYSA-N 0 0 436.528 3.519 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000072245327 557213388 /nfs/dbraw/zinc/21/33/88/557213388.db2.gz GRPFDEMCUJZEIT-UHFFFAOYSA-N 0 0 441.797 3.900 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010993169 557219432 /nfs/dbraw/zinc/21/94/32/557219432.db2.gz RNIMSXDONTVOAR-UHFFFAOYSA-N 0 0 432.929 3.552 50 0 IHAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000032949312 557222283 /nfs/dbraw/zinc/22/22/83/557222283.db2.gz UBDXGYSPCDMDEZ-JOCHJYFZSA-N 0 0 446.503 3.966 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1C ZINC000025703262 557222627 /nfs/dbraw/zinc/22/26/27/557222627.db2.gz IWNUSUHAMMWPKR-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN CCc1nn2c(nc(CNc3ccccc3C(=O)N[C@@H](C)c3ccccc3)cc2=O)s1 ZINC000025716473 557223228 /nfs/dbraw/zinc/22/32/28/557223228.db2.gz VRFBJYFITVODDZ-HNNXBMFYSA-N 0 0 433.537 3.817 50 0 IHAARN COc1cc(C)ccc1OCC(=O)NCCc1cc(OC)c(OC)cc1Br ZINC000024383292 557224329 /nfs/dbraw/zinc/22/43/29/557224329.db2.gz WTOBTXMJFUADIN-UHFFFAOYSA-N 0 0 438.318 3.521 50 0 IHAARN CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(=O)[nH]1 ZINC000025902503 557229659 /nfs/dbraw/zinc/22/96/59/557229659.db2.gz BBOJHODRXKAPGG-FQEVSTJZSA-N 0 0 425.579 3.969 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025904079 557229684 /nfs/dbraw/zinc/22/96/84/557229684.db2.gz HLGIQSCSQKBOHT-QHCPKHFHSA-N 0 0 431.517 3.676 50 0 IHAARN COc1cc(CNS(=O)(=O)c2cc(F)ccc2Cl)ccc1OCc1cccnc1 ZINC000072255086 557231000 /nfs/dbraw/zinc/23/10/00/557231000.db2.gz LZTNFTZJOPGQAO-UHFFFAOYSA-N 0 0 436.892 3.940 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000025952386 557231058 /nfs/dbraw/zinc/23/10/58/557231058.db2.gz XCONWUOPRGKZRH-UHFFFAOYSA-N 0 0 437.587 3.852 50 0 IHAARN COc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1OC1CCN(C(C)=O)CC1 ZINC000014965466 557232214 /nfs/dbraw/zinc/23/22/14/557232214.db2.gz YWFANAAHAUMLDF-UHFFFAOYSA-N 0 0 431.558 3.595 50 0 IHAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000026065675 557233214 /nfs/dbraw/zinc/23/32/14/557233214.db2.gz ARDYAPOHVHDSDP-DYESRHJHSA-N 0 0 435.528 3.581 50 0 IHAARN Cc1nc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nn1-c1ccc(F)cc1 ZINC000018040344 557234324 /nfs/dbraw/zinc/23/43/24/557234324.db2.gz SMFJHCDYVDSIDW-UHFFFAOYSA-N 0 0 436.274 3.732 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000098211711 557235093 /nfs/dbraw/zinc/23/50/93/557235093.db2.gz IYUDGDKPXYCTCG-UHFFFAOYSA-N 0 0 425.330 3.731 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4OC)CC3)n[nH]2)cc1 ZINC000098212794 557235974 /nfs/dbraw/zinc/23/59/74/557235974.db2.gz SYEURFUNIDYQTA-UHFFFAOYSA-N 0 0 436.512 3.501 50 0 IHAARN C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000018108996 557237223 /nfs/dbraw/zinc/23/72/23/557237223.db2.gz FPHPHRJJMUCMBT-INIZCTEOSA-N 0 0 442.471 3.745 50 0 IHAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000026234448 557237798 /nfs/dbraw/zinc/23/77/98/557237798.db2.gz MGKOIOIUUZMBAA-UHFFFAOYSA-N 0 0 436.537 3.740 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000011004448 557239035 /nfs/dbraw/zinc/23/90/35/557239035.db2.gz NLKVOGGQOBZVIJ-UHFFFAOYSA-N 0 0 445.324 3.657 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)s1 ZINC000026312742 557239071 /nfs/dbraw/zinc/23/90/71/557239071.db2.gz KCQLDNFBVNXDTG-CQSZACIVSA-N 0 0 434.461 3.747 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 ZINC000026356516 557239762 /nfs/dbraw/zinc/23/97/62/557239762.db2.gz QMMHNOCRSBFVNF-HNNXBMFYSA-N 0 0 429.567 3.566 50 0 IHAARN O=C1CCC(=O)N1c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018127153 557242257 /nfs/dbraw/zinc/24/22/57/557242257.db2.gz HNLHFJRQOZHWAL-TXFWVUOCSA-N 0 0 448.478 3.737 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1nc2ccccc2o1 ZINC000013987383 557242282 /nfs/dbraw/zinc/24/22/82/557242282.db2.gz MDVODDNJUHFJKG-SNVBAGLBSA-N 0 0 429.281 3.545 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000026481519 557242592 /nfs/dbraw/zinc/24/25/92/557242592.db2.gz JITDBNPDTUOWBN-INIZCTEOSA-N 0 0 438.440 3.675 50 0 IHAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)c1 ZINC000026491913 557242629 /nfs/dbraw/zinc/24/26/29/557242629.db2.gz MTPRDBAOQRMSAQ-NRFANRHFSA-N 0 0 439.537 3.958 50 0 IHAARN C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cncn2)cc1 ZINC000018159558 557243913 /nfs/dbraw/zinc/24/39/13/557243913.db2.gz JETYYIYNBQBDNG-ZDUSSCGKSA-N 0 0 439.928 3.743 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(Br)cc2F)cc1S(=O)(=O)NC(C)C ZINC000014775235 557245600 /nfs/dbraw/zinc/24/56/00/557245600.db2.gz RKRFUQMMBLTRKN-UHFFFAOYSA-N 0 0 446.294 3.503 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1 ZINC000032952131 557248203 /nfs/dbraw/zinc/24/82/03/557248203.db2.gz GZOCHYFRZGAYEX-UHFFFAOYSA-N 0 0 427.489 3.978 50 0 IHAARN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(C(F)(F)F)cc1 ZINC000026850166 557249643 /nfs/dbraw/zinc/24/96/43/557249643.db2.gz SJKYZOZERICGSV-UHFFFAOYSA-N 0 0 437.418 3.647 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)c(OC)c1 ZINC000604418781 557250774 /nfs/dbraw/zinc/25/07/74/557250774.db2.gz BFIUPYOSWBIRQG-OAQYLSRUSA-N 0 0 434.492 3.948 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(O)c1 ZINC000018210569 557252175 /nfs/dbraw/zinc/25/21/75/557252175.db2.gz SLPYUTFSOUYSJM-UHFFFAOYSA-N 0 0 439.541 3.532 50 0 IHAARN C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000026992003 557253556 /nfs/dbraw/zinc/25/35/56/557253556.db2.gz NRSLRHDRQPVHST-HNNXBMFYSA-N 0 0 430.936 3.962 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390831035 557254145 /nfs/dbraw/zinc/25/41/45/557254145.db2.gz PEYYJPMONRMXQI-QGZVFWFLSA-N 0 0 431.407 3.726 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)n2C[C@H]2CCCO2)cc1 ZINC000027205070 557258857 /nfs/dbraw/zinc/25/88/57/557258857.db2.gz GCBBYLMOTGNINC-CRAIPNDOSA-N 0 0 442.541 3.695 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)n2C[C@@H]2CCCO2)cc1 ZINC000027205049 557258891 /nfs/dbraw/zinc/25/88/91/557258891.db2.gz GCBBYLMOTGNINC-YJBOKZPZSA-N 0 0 442.541 3.695 50 0 IHAARN O=C(CSc1ccccc1C(=O)NCc1ccccc1Cn1cccn1)N1CCCC1 ZINC000027254307 557259473 /nfs/dbraw/zinc/25/94/73/557259473.db2.gz YVQMQAIDIXFXCC-UHFFFAOYSA-N 0 0 434.565 3.576 50 0 IHAARN COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(Br)c1O ZINC000000819288 557261561 /nfs/dbraw/zinc/26/15/61/557261561.db2.gz JKFBCCMKVJJOAW-CQSZACIVSA-N 0 0 425.367 3.634 50 0 IHAARN CCCCn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O ZINC000027402761 557261862 /nfs/dbraw/zinc/26/18/62/557261862.db2.gz NZUMXIUOJJELTH-FQEVSTJZSA-N 0 0 433.508 3.945 50 0 IHAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101144878 557261968 /nfs/dbraw/zinc/26/19/68/557261968.db2.gz OSVXOABBDNRLRR-VXNXHJTFSA-N 0 0 444.487 3.838 50 0 IHAARN O=C1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000100511201 557263388 /nfs/dbraw/zinc/26/33/88/557263388.db2.gz VTIHBABYZWAUFQ-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C(=O)N1Cc1cccs1 ZINC000027531817 557264137 /nfs/dbraw/zinc/26/41/37/557264137.db2.gz HLJGSBDKBIOZQM-IBGZPJMESA-N 0 0 437.546 3.706 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000070010733 557266150 /nfs/dbraw/zinc/26/61/50/557266150.db2.gz JBQKNBOPOYOXCD-ZRBLBEILSA-N 0 0 445.519 3.633 50 0 IHAARN CN(CC(=O)NC1CC1)C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000011021400 557267999 /nfs/dbraw/zinc/26/79/99/557267999.db2.gz ADIJYJIDCROQGE-UHFFFAOYSA-N 0 0 442.972 3.567 50 0 IHAARN CC(=O)N1[C@@H](c2ccc(Cl)cc2)SC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000821704 557268133 /nfs/dbraw/zinc/26/81/33/557268133.db2.gz LXSHMVZWNQKNGG-IFMALSPDSA-N 0 0 429.973 3.651 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022990888 557275832 /nfs/dbraw/zinc/27/58/32/557275832.db2.gz CRUSTTHSHXFZDC-UHFFFAOYSA-N 0 0 430.430 3.868 50 0 IHAARN CCc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000101159878 557283816 /nfs/dbraw/zinc/28/38/16/557283816.db2.gz CARODDACIMTWBQ-GOSISDBHSA-N 0 0 432.929 3.915 50 0 IHAARN CCOc1ccccc1[C@H]1CC(c2ccc(I)cc2)=Nc2nnnn21 ZINC000101641664 557292220 /nfs/dbraw/zinc/29/22/20/557292220.db2.gz YAOGEFWRNVUFNN-MRXNPFEDSA-N 0 0 445.264 3.732 50 0 IHAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000011665812 557292496 /nfs/dbraw/zinc/29/24/96/557292496.db2.gz GKQPEKVLRYHDEK-UHFFFAOYSA-N 0 0 449.518 3.635 50 0 IHAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)c1 ZINC000101881683 557305331 /nfs/dbraw/zinc/30/53/31/557305331.db2.gz LAVWLIUARCZVFC-UHFFFAOYSA-N 0 0 442.519 3.697 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCCOC)=CSC2=N1 ZINC000102937012 557310139 /nfs/dbraw/zinc/31/01/39/557310139.db2.gz ATSOZFQUJIVCSW-HXUWFJFHSA-N 0 0 447.532 3.507 50 0 IHAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000102127721 557312944 /nfs/dbraw/zinc/31/29/44/557312944.db2.gz RWFJAVPDHDAJDC-SFTDATJTSA-N 0 0 431.488 3.549 50 0 IHAARN COc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000102305351 557316022 /nfs/dbraw/zinc/31/60/22/557316022.db2.gz UVXHPCKZVZJHHT-QFIPXVFZSA-N 0 0 429.476 3.687 50 0 IHAARN COc1cccc(N(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c2nc3ccccc3s2)c1 ZINC000102305729 557316290 /nfs/dbraw/zinc/31/62/90/557316290.db2.gz GDKOTNQVBOOKBC-HDICACEKSA-N 0 0 447.516 3.921 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c(C)c1 ZINC000032869293 557316514 /nfs/dbraw/zinc/31/65/14/557316514.db2.gz GKKQCSUWTCDLQO-AWEZNQCLSA-N 0 0 430.423 3.585 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@H]1C ZINC000102257028 557316745 /nfs/dbraw/zinc/31/67/45/557316745.db2.gz GYTPPXNQJJLVLY-WWGRRREGSA-N 0 0 437.949 3.966 50 0 IHAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000102421485 557321707 /nfs/dbraw/zinc/32/17/07/557321707.db2.gz IJIQSPAJJGAWKG-TUNNFDKTSA-N 0 0 445.606 3.715 50 0 IHAARN COc1ccc(NC(=O)C2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)cc1Cl ZINC000033073823 557323729 /nfs/dbraw/zinc/32/37/29/557323729.db2.gz GIZWQMMULNEEOB-UHFFFAOYSA-N 0 0 442.947 3.835 50 0 IHAARN COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)N5CCCCC5)CC4)n3n2)cc1 ZINC000033115813 557324329 /nfs/dbraw/zinc/32/43/29/557324329.db2.gz UEAMRNBQKICLIQ-UHFFFAOYSA-N 0 0 433.556 3.942 50 0 IHAARN CC(=O)Oc1cc(-c2nc3ccccc3c(=O)o2)cc(-c2nc3ccccc3c(=O)o2)c1 ZINC000000832882 557326692 /nfs/dbraw/zinc/32/66/92/557326692.db2.gz MESVXXFKBONCOI-UHFFFAOYSA-N 0 0 426.384 3.949 50 0 IHAARN O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014248129 557329759 /nfs/dbraw/zinc/32/97/59/557329759.db2.gz FOVCTGGZLWQWQR-ZDUSSCGKSA-N 0 0 436.883 3.548 50 0 IHAARN CC(C)c1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000033310603 557333879 /nfs/dbraw/zinc/33/38/79/557333879.db2.gz XBQBPAGPPNPNMK-HSZRJFAPSA-N 0 0 436.552 3.966 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000014403428 557337481 /nfs/dbraw/zinc/33/74/81/557337481.db2.gz RUFBJGZMMQGGDK-GOSISDBHSA-N 0 0 435.286 3.502 50 0 IHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@H]2CCCN21 ZINC000102544235 557348729 /nfs/dbraw/zinc/34/87/29/557348729.db2.gz DATLZRAUYJOGKE-GFTAFNIFSA-N 0 0 449.938 3.696 50 0 IHAARN O=C(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000023334556 557349458 /nfs/dbraw/zinc/34/94/58/557349458.db2.gz TYIDBRFIPZTGEP-UHFFFAOYSA-N 0 0 439.384 3.990 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ncnc3c1cnn3C)CCCC2 ZINC000011678046 557350966 /nfs/dbraw/zinc/35/09/66/557350966.db2.gz ZZWIVLZKIWBINX-LLVKDONJSA-N 0 0 445.570 3.600 50 0 IHAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000072328403 557364661 /nfs/dbraw/zinc/36/46/61/557364661.db2.gz PXRUWGSSVOXGHH-UHFFFAOYSA-N 0 0 436.947 3.631 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102706793 557366806 /nfs/dbraw/zinc/36/68/06/557366806.db2.gz NWCVKNREMOYHHI-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000220812895 557367091 /nfs/dbraw/zinc/36/70/91/557367091.db2.gz CIAXPCJCSSUDOQ-IRXDYDNUSA-N 0 0 428.533 3.739 50 0 IHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000102709963 557367599 /nfs/dbraw/zinc/36/75/99/557367599.db2.gz FXOUMHODGVXUAV-KDURUIRLSA-N 0 0 438.553 3.748 50 0 IHAARN O=C(NCC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1)OCc1ccccc1 ZINC000220920180 557371124 /nfs/dbraw/zinc/37/11/24/557371124.db2.gz ZGIVVTPGOSNOAS-QGZVFWFLSA-N 0 0 440.525 3.506 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102734991 557372414 /nfs/dbraw/zinc/37/24/14/557372414.db2.gz VQCOQBCTHBUVPH-DNVJHFABSA-N 0 0 448.450 3.894 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102767824 557381192 /nfs/dbraw/zinc/38/11/92/557381192.db2.gz RDKFKJJETCYGCY-WXFUMESZSA-N 0 0 441.487 3.692 50 0 IHAARN CCOc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N ZINC000011691842 557384699 /nfs/dbraw/zinc/38/46/99/557384699.db2.gz FSEMKDXJUPLRAO-UHFFFAOYSA-N 0 0 427.262 3.728 50 0 IHAARN CCOC(=O)C1CCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000011692363 557388155 /nfs/dbraw/zinc/38/81/55/557388155.db2.gz IFXUORUKAOSJKO-UHFFFAOYSA-N 0 0 435.476 3.641 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)c(C)c1 ZINC000247883870 557390182 /nfs/dbraw/zinc/39/01/82/557390182.db2.gz SFGQGXXDKSJPDS-OZAHESQGSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccc5ccccc5c4)nn32)cc1 ZINC000011693891 557391870 /nfs/dbraw/zinc/39/18/70/557391870.db2.gz OQHMSERGSSDOEQ-UHFFFAOYSA-N 0 0 439.475 3.762 50 0 IHAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)n1 ZINC000011695382 557393091 /nfs/dbraw/zinc/39/30/91/557393091.db2.gz RNJROILIJUHYBW-UHFFFAOYSA-N 0 0 443.442 3.715 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)c1 ZINC000011695708 557393633 /nfs/dbraw/zinc/39/36/33/557393633.db2.gz RIAILATXZKTUHI-UHFFFAOYSA-N 0 0 426.904 3.505 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCc3cccnc3)=CSC2=N1 ZINC000102849748 557395241 /nfs/dbraw/zinc/39/52/41/557395241.db2.gz RIJPPWLEKCTVIA-QFIPXVFZSA-N 0 0 448.548 3.926 50 0 IHAARN Cc1cc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)no1 ZINC000011700054 557395635 /nfs/dbraw/zinc/39/56/35/557395635.db2.gz QFPGKXWHQHXOCN-UHFFFAOYSA-N 0 0 443.456 3.648 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000013956417 557398310 /nfs/dbraw/zinc/39/83/10/557398310.db2.gz WEXPTKFJGKBUIX-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000004863520 557398922 /nfs/dbraw/zinc/39/89/22/557398922.db2.gz ZMTCQOGUGPENQY-UHFFFAOYSA-N 0 0 429.513 3.952 50 0 IHAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc(Cl)c1OC ZINC000033476684 557400897 /nfs/dbraw/zinc/40/08/97/557400897.db2.gz FQTACBQIKYEQSZ-LICLKQGHSA-N 0 0 446.912 3.824 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1OC ZINC000033470329 557401170 /nfs/dbraw/zinc/40/11/70/557401170.db2.gz WIIIONDQSKVYAH-DEDYPNTBSA-N 0 0 438.505 3.720 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)Cc1ccc(F)cc1 ZINC000004910299 557403752 /nfs/dbraw/zinc/40/37/52/557403752.db2.gz GVIVSALYJRXKTG-JOCHJYFZSA-N 0 0 430.520 3.798 50 0 IHAARN COCCCN(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000033552146 557411013 /nfs/dbraw/zinc/41/10/13/557411013.db2.gz AJFPHZXUBDOEBV-UHFFFAOYSA-N 0 0 445.459 3.723 50 0 IHAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)c1ncc(Br)cn1 ZINC000408517007 557411952 /nfs/dbraw/zinc/41/19/52/557411952.db2.gz KZHLGTLTRYXFCX-UHFFFAOYSA-N 0 0 437.294 3.999 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000102913440 557412372 /nfs/dbraw/zinc/41/23/72/557412372.db2.gz JSLMRIYVNSOUSU-MRXNPFEDSA-N 0 0 444.578 3.896 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)COc3ccc(C)cc3)C(C)C)n2)cc1OC ZINC000004943630 557412988 /nfs/dbraw/zinc/41/29/88/557412988.db2.gz ZQVCTNVJLXVZNZ-UHFFFAOYSA-N 0 0 425.485 3.878 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000025909783 557431587 /nfs/dbraw/zinc/43/15/87/557431587.db2.gz MUZHJRPPQKGBQA-MRXNPFEDSA-N 0 0 429.767 3.780 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(C)cc1C ZINC000103408188 557435878 /nfs/dbraw/zinc/43/58/78/557435878.db2.gz CQBFMXWCRQICEO-OAQYLSRUSA-N 0 0 425.554 3.968 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 ZINC000103460890 557437671 /nfs/dbraw/zinc/43/76/71/557437671.db2.gz NSYYOCZKQDTUGG-IIMDRIAPSA-N 0 0 431.536 3.834 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000104211876 557452449 /nfs/dbraw/zinc/45/24/49/557452449.db2.gz YESPYEMTMVMGDU-NWZZKEMCSA-N 0 0 432.536 3.551 50 0 IHAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc(F)c3)N12 ZINC000100942624 557454886 /nfs/dbraw/zinc/45/48/86/557454886.db2.gz OOCYOQAFGLNYRA-FQEVSTJZSA-N 0 0 447.532 3.505 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CC2 ZINC000104746985 557460109 /nfs/dbraw/zinc/46/01/09/557460109.db2.gz VMFRXLRGUXWEOY-SKPFHBQLSA-N 0 0 434.536 3.784 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105060105 557474611 /nfs/dbraw/zinc/47/46/11/557474611.db2.gz VGYANSGEGOPGGT-UZUQRXQVSA-N 0 0 443.588 3.550 50 0 IHAARN Cc1ccc([C@@H](NC(=O)Cn2c3ccccc3nc2S(C)(=O)=O)c2cccs2)cc1 ZINC000018380939 557499952 /nfs/dbraw/zinc/49/99/52/557499952.db2.gz GAYKUYWHTYYAKK-OAQYLSRUSA-N 0 0 439.562 3.716 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000014862813 557507685 /nfs/dbraw/zinc/50/76/85/557507685.db2.gz PZWGMPNIAQDMDC-UHFFFAOYSA-N 0 0 449.697 3.747 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1C[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000105846597 557511634 /nfs/dbraw/zinc/51/16/34/557511634.db2.gz BGLOFUAWXWQUFM-IIMJZQEZSA-N 0 0 444.354 3.630 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2Cl)cc1 ZINC000047146302 557517038 /nfs/dbraw/zinc/51/70/38/557517038.db2.gz QBHRDAXGKOKHSY-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2cccc(Cl)c2)nc2cccnc21 ZINC000047146411 557517281 /nfs/dbraw/zinc/51/72/81/557517281.db2.gz PCKGKPYXIDKOMN-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN O=C(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Br)o1 ZINC000047145864 557517532 /nfs/dbraw/zinc/51/75/32/557517532.db2.gz WNKJOMQRIJIYNX-UHFFFAOYSA-N 0 0 429.249 3.904 50 0 IHAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc(C(C)(C)C)cc2)c1=O ZINC000012072092 557526773 /nfs/dbraw/zinc/52/67/73/557526773.db2.gz FZLHVKYDKLOTFI-UHFFFAOYSA-N 0 0 443.551 3.677 50 0 IHAARN O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000107673844 557536463 /nfs/dbraw/zinc/53/64/63/557536463.db2.gz WJWCKMBMZIMZKF-OFQRWUPVSA-N 0 0 428.922 3.886 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000044839436 557539137 /nfs/dbraw/zinc/53/91/37/557539137.db2.gz QQXDARGDKQNJEP-UHFFFAOYSA-N 0 0 427.504 3.607 50 0 IHAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2C)c1=O ZINC000044840753 557539372 /nfs/dbraw/zinc/53/93/72/557539372.db2.gz NLFQPJOGQIHFLE-AWEZNQCLSA-N 0 0 444.329 3.844 50 0 IHAARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)C(C(=O)OC)=C(C)N2 ZINC000044973638 557542011 /nfs/dbraw/zinc/54/20/11/557542011.db2.gz YYSVDTKWYJAMDO-ZDUSSCGKSA-N 0 0 436.331 3.649 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000108322908 557542433 /nfs/dbraw/zinc/54/24/33/557542433.db2.gz RVEDZZUDBQELOL-MPGHIAIKSA-N 0 0 441.494 3.943 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000108990392 557545145 /nfs/dbraw/zinc/54/51/45/557545145.db2.gz JMRHDYOLKMFNAY-HZPDHXFCSA-N 0 0 442.947 3.671 50 0 IHAARN Cn1c2cc(NS(=O)(=O)c3ccc(F)cc3)c(SCc3ccco3)cc2n(C)c1=O ZINC000045941025 557549459 /nfs/dbraw/zinc/54/94/59/557549459.db2.gz OCRWGWYTXNDKIU-UHFFFAOYSA-N 0 0 447.513 3.702 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c1 ZINC000045943009 557552151 /nfs/dbraw/zinc/55/21/51/557552151.db2.gz JBYXUWMVAPHXHV-UHFFFAOYSA-N 0 0 439.468 3.874 50 0 IHAARN CCOC(=O)Oc1c(OC)cc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1OC ZINC000045961166 557555077 /nfs/dbraw/zinc/55/50/77/557555077.db2.gz LDXKNEBVFQPDDD-UHFFFAOYSA-N 0 0 444.440 3.980 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3cccc(Cl)c3)CC2)c1C ZINC000045973915 557555763 /nfs/dbraw/zinc/55/57/63/557555763.db2.gz BNCUVNQHSXLGAH-UHFFFAOYSA-N 0 0 445.947 3.630 50 0 IHAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000040017908 557679139 /nfs/dbraw/zinc/67/91/39/557679139.db2.gz VUJHHPYZKFWKPZ-HNNXBMFYSA-N 0 0 442.589 3.752 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 ZINC000040152650 557704549 /nfs/dbraw/zinc/70/45/49/557704549.db2.gz GKTYGHQUZXIDNS-UHFFFAOYSA-N 0 0 439.493 3.731 50 0 IHAARN Fc1cccc([C@@H](CNc2nc(C(Cl)(Cl)Cl)ns2)N2CCOCC2)c1 ZINC000225388153 557717405 /nfs/dbraw/zinc/71/74/05/557717405.db2.gz CJWDAMQZPOWYNB-GFCCVEGCSA-N 0 0 425.744 3.989 50 0 IHAARN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000225438748 557722788 /nfs/dbraw/zinc/72/27/88/557722788.db2.gz ZEFKSAYMXLPJBQ-INIZCTEOSA-N 0 0 435.402 3.808 50 0 IHAARN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000225530237 557737159 /nfs/dbraw/zinc/73/71/59/557737159.db2.gz APESYZCYFIBXLO-AWEZNQCLSA-N 0 0 440.974 3.693 50 0 IHAARN Cc1cc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000225532880 557737802 /nfs/dbraw/zinc/73/78/02/557737802.db2.gz NYNRGYDSDATADP-QLXKLKPCSA-N 0 0 444.535 3.699 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)cc12 ZINC000225566040 557743439 /nfs/dbraw/zinc/74/34/39/557743439.db2.gz SITXQDSBJGTGQU-MRXNPFEDSA-N 0 0 438.532 3.667 50 0 IHAARN COc1cccc2c(C)c(C(=O)Nc3cnc(N4CCOCC4)c(Br)c3)oc21 ZINC000225602042 557749983 /nfs/dbraw/zinc/74/99/83/557749983.db2.gz YSMISKRKGMDSRJ-UHFFFAOYSA-N 0 0 446.301 3.996 50 0 IHAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000225661492 557758654 /nfs/dbraw/zinc/75/86/54/557758654.db2.gz RGEMUUOJHANYFP-QGZVFWFLSA-N 0 0 438.509 3.529 50 0 IHAARN O=C(OCc1ccc(Br)cc1N1CCOCC1)c1cccc(C2OCCO2)c1 ZINC000225689206 557763937 /nfs/dbraw/zinc/76/39/37/557763937.db2.gz MCIPQLDHGOTFGH-UHFFFAOYSA-N 0 0 448.313 3.688 50 0 IHAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H](O)c1ccccc1 ZINC000225727631 557769361 /nfs/dbraw/zinc/76/93/61/557769361.db2.gz IGQUPIFQSDQYJO-ORYQWCPZSA-N 0 0 445.357 3.676 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3cccc3)nc2)[C@H](c2cccnc2)C1 ZINC000225738731 557770880 /nfs/dbraw/zinc/77/08/80/557770880.db2.gz NXFOBEHZNOLSCX-FQEVSTJZSA-N 0 0 433.512 3.702 50 0 IHAARN Cn1c2ccc(CNS(=O)(=O)c3cc(Br)ccc3F)cc2nc1C1CC1 ZINC000225830858 557782371 /nfs/dbraw/zinc/78/23/71/557782371.db2.gz FOIUMFPSTFEASI-UHFFFAOYSA-N 0 0 438.322 3.831 50 0 IHAARN COc1ccc(Cn2c(SCC(=O)OC(C)(C)C)nc3ccccc3c2=O)cc1OC ZINC000024982806 557828557 /nfs/dbraw/zinc/82/85/57/557828557.db2.gz GIPLIPCKBBVYQO-UHFFFAOYSA-N 0 0 442.537 3.896 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 ZINC000000846230 557829066 /nfs/dbraw/zinc/82/90/66/557829066.db2.gz STKOGXRFGPSVMY-VGOFRKELSA-N 0 0 437.540 3.714 50 0 IHAARN CCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccc4ncccc4c3)CC2)o1 ZINC000097161489 557832576 /nfs/dbraw/zinc/83/25/76/557832576.db2.gz TXBGDGYAABRNSW-UHFFFAOYSA-N 0 0 428.496 3.595 50 0 IHAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000229981595 557834683 /nfs/dbraw/zinc/83/46/83/557834683.db2.gz CGDNNSCPXPIDBQ-YTFSRNRJSA-N 0 0 429.476 3.922 50 0 IHAARN CS(=O)(=O)c1ccc(-c2csc(CC(=O)NCCOC3CCCCCC3)n2)cc1 ZINC000241277560 557846227 /nfs/dbraw/zinc/84/62/27/557846227.db2.gz LHCMTOQVYSITOO-UHFFFAOYSA-N 0 0 436.599 3.612 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(F)cc1Cn1ccsc1=O ZINC000241630832 557846556 /nfs/dbraw/zinc/84/65/56/557846556.db2.gz PLSUKTWHRAWRKD-UHFFFAOYSA-N 0 0 434.876 3.703 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc(OC)c1OC ZINC000000874133 557847949 /nfs/dbraw/zinc/84/79/49/557847949.db2.gz DZZZQXUNJJDXFW-UHFFFAOYSA-N 0 0 448.932 3.892 50 0 IHAARN CCOc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245297655 557849998 /nfs/dbraw/zinc/84/99/98/557849998.db2.gz WBBRMPQIPUIEHF-PUFAWVJESA-N 0 0 448.556 3.809 50 0 IHAARN COc1ccc(-c2noc(COC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)n2)cc1OC ZINC000018746847 557855739 /nfs/dbraw/zinc/85/57/39/557855739.db2.gz UDLWDKZXLKKOCH-LJQANCHMSA-N 0 0 449.463 3.761 50 0 IHAARN O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccccc1 ZINC000000899871 562919515 /nfs/dbraw/zinc/91/95/15/562919515.db2.gz LUYDAANLNWCVLU-LJQANCHMSA-N 0 0 441.532 3.939 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000002300169 562926847 /nfs/dbraw/zinc/92/68/47/562926847.db2.gz VDYWZWHANFYWOC-UHFFFAOYSA-N 0 0 436.533 3.842 50 0 IHAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1ccc(C)cc1)CC(C)(C)OC3 ZINC000002349388 562927086 /nfs/dbraw/zinc/92/70/86/562927086.db2.gz GJHZBZALLPQMIG-UHFFFAOYSA-N 0 0 438.553 3.702 50 0 IHAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1 ZINC000002430327 562927614 /nfs/dbraw/zinc/92/76/14/562927614.db2.gz MSWVLJZVHOGYTI-UHFFFAOYSA-N 0 0 440.521 3.837 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002602307 562928360 /nfs/dbraw/zinc/92/83/60/562928360.db2.gz JXJRJZAWVYIILO-UHFFFAOYSA-N 0 0 434.461 3.686 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000003024604 562931805 /nfs/dbraw/zinc/93/18/05/562931805.db2.gz JIAASTCJLQYCPH-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN O=C1CCC[C@]2(O)[C@@H]1[C@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 ZINC000003191447 562932660 /nfs/dbraw/zinc/93/26/60/562932660.db2.gz WZFPULSDAOVPET-ZJOUEHCJSA-N 0 0 429.314 3.773 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003233089 562933127 /nfs/dbraw/zinc/93/31/27/562933127.db2.gz YRVSOHLGFQHXDC-UHFFFAOYSA-N 0 0 428.338 3.683 50 0 IHAARN CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003252060 562933335 /nfs/dbraw/zinc/93/33/35/562933335.db2.gz AKHDGUOEAJAMRS-UHFFFAOYSA-N 0 0 444.384 3.866 50 0 IHAARN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cc2s1 ZINC000003330304 562934279 /nfs/dbraw/zinc/93/42/79/562934279.db2.gz OTLXSFRIGGQCOT-KBPBESRZSA-N 0 0 445.566 3.655 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C)o3)c2)cc1 ZINC000003339488 562934437 /nfs/dbraw/zinc/93/44/37/562934437.db2.gz JIGKPIKAJQLQMW-UHFFFAOYSA-N 0 0 428.510 3.694 50 0 IHAARN COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000003351935 562934677 /nfs/dbraw/zinc/93/46/77/562934677.db2.gz DIKNNCDERCEXEP-NSHDSACASA-N 0 0 427.375 3.915 50 0 IHAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Br)o3)n2)cc1 ZINC000003362904 562934838 /nfs/dbraw/zinc/93/48/38/562934838.db2.gz LEOSQBZGQZBURC-UHFFFAOYSA-N 0 0 437.271 3.970 50 0 aggregator IHAARN O=c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)nc2sccn21 ZINC000003370934 562935005 /nfs/dbraw/zinc/93/50/05/562935005.db2.gz ZGDIXPJJTVLXBK-UHFFFAOYSA-N 0 0 436.497 3.830 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1csc(-c2ccccc2)n1 ZINC000003382135 562935125 /nfs/dbraw/zinc/93/51/25/562935125.db2.gz FYKUUSGGOBFECE-UHFFFAOYSA-N 0 0 438.530 3.985 50 0 IHAARN CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 ZINC000004034833 562940983 /nfs/dbraw/zinc/94/09/83/562940983.db2.gz USBFEPXVZKJDSA-OAHLLOKOSA-N 0 0 446.573 3.766 50 0 IHAARN CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1OCC ZINC000004076583 562941434 /nfs/dbraw/zinc/94/14/34/562941434.db2.gz BTEGGPPHWUTQFF-UHFFFAOYSA-N 0 0 439.512 3.834 50 0 biogenic IHAARN COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC ZINC000004295200 562943011 /nfs/dbraw/zinc/94/30/11/562943011.db2.gz YDRCPFFLLKJHOK-UHFFFAOYSA-N 0 0 435.436 3.952 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C)c3C)c(C)o2)c1 ZINC000006577601 562947717 /nfs/dbraw/zinc/94/77/17/562947717.db2.gz KKYIPUNNOFYUGM-UHFFFAOYSA-N 0 0 428.510 3.829 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCOCC2)cc1 ZINC000006924856 562948582 /nfs/dbraw/zinc/94/85/82/562948582.db2.gz YHGKENNQDVSAOI-UHFFFAOYSA-N 0 0 436.327 3.685 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)NCc3ccccc3Cl)o2)cc(OC)c1OC ZINC000008587183 562950272 /nfs/dbraw/zinc/95/02/72/562950272.db2.gz PTKCXUJCNMRTTD-UHFFFAOYSA-N 0 0 449.916 3.824 50 0 IHAARN COc1cc(C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc(OC)c1OC ZINC000008587913 562950530 /nfs/dbraw/zinc/95/05/30/562950530.db2.gz UJDAELZCOWCBGF-OAQYLSRUSA-N 0 0 433.508 3.641 50 0 IHAARN CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(CC)c3ccccc3C)s2)cc1 ZINC000008587973 562950551 /nfs/dbraw/zinc/95/05/51/562950551.db2.gz FSKQJZROHAYEDD-UHFFFAOYSA-N 0 0 446.554 3.713 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)n2)cc1 ZINC000008588358 562950663 /nfs/dbraw/zinc/95/06/63/562950663.db2.gz OQFGBUSJLWIUHC-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN CCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000008589696 562951342 /nfs/dbraw/zinc/95/13/42/562951342.db2.gz BVEFVMIJEALKTA-UHFFFAOYSA-N 0 0 437.565 3.793 50 0 IHAARN COc1ccc(NC(=O)[C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000008591393 562951996 /nfs/dbraw/zinc/95/19/96/562951996.db2.gz QOTUWDCDLKWCSA-QKASYZLMSA-N 0 0 430.460 3.933 50 0 biogenic IHAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCC[C@H](C)C4)ccc3c2=O)s1 ZINC000008592025 562952212 /nfs/dbraw/zinc/95/22/12/562952212.db2.gz KAODUXUKZKDUMM-AWEZNQCLSA-N 0 0 449.536 3.929 50 0 IHAARN COCCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000008592948 562952467 /nfs/dbraw/zinc/95/24/67/562952467.db2.gz YIUGXUPIPQXOTQ-UHFFFAOYSA-N 0 0 442.537 3.699 50 0 IHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCCCC4)c(O)c3c2)c1 ZINC000008595189 562953364 /nfs/dbraw/zinc/95/33/64/562953364.db2.gz TXLOTSTYPUHZEX-UHFFFAOYSA-N 0 0 439.537 3.572 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCc1cccc(Cl)c1 ZINC000008597216 562953956 /nfs/dbraw/zinc/95/39/56/562953956.db2.gz CNZBSXDZNKQLBQ-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1N ZINC000008597976 562954132 /nfs/dbraw/zinc/95/41/32/562954132.db2.gz NHQGXKUQHOKHGU-UHFFFAOYSA-N 0 0 430.306 3.549 50 0 aggregator IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)CC1 ZINC000008599399 562954725 /nfs/dbraw/zinc/95/47/25/562954725.db2.gz BAXFCQYKZWFVLP-UHFFFAOYSA-N 0 0 437.521 3.964 50 0 IHAARN COc1ccc(CC(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1OC ZINC000008600503 562955109 /nfs/dbraw/zinc/95/51/09/562955109.db2.gz YNYWYIKCABNYRE-UHFFFAOYSA-N 0 0 430.508 3.664 50 0 IHAARN C=C1C(N2CCC(C(=O)N3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008603330 562956002 /nfs/dbraw/zinc/95/60/02/562956002.db2.gz ABQFKDGHDZCWOC-UHFFFAOYSA-N 0 0 429.586 3.501 50 0 IHAARN CCOc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)cc1 ZINC000008605515 562956753 /nfs/dbraw/zinc/95/67/53/562956753.db2.gz CNRCKQPXPZEHQR-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccc(C)c4)CC3)ccc21 ZINC000008609442 562957825 /nfs/dbraw/zinc/95/78/25/562957825.db2.gz IPLVFICSYMSHET-UHFFFAOYSA-N 0 0 439.581 3.687 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000008609600 562957955 /nfs/dbraw/zinc/95/79/55/562957955.db2.gz LWYDNLOIWKTEAJ-UHFFFAOYSA-N 0 0 445.928 3.778 50 0 IHAARN COc1cc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)cc(OC)c1 ZINC000008611319 562958492 /nfs/dbraw/zinc/95/84/92/562958492.db2.gz UUTQRIWLICZIGU-UHFFFAOYSA-N 0 0 435.524 3.943 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008612197 562959112 /nfs/dbraw/zinc/95/91/12/562959112.db2.gz LHTRADPOXOQFMN-MRXNPFEDSA-N 0 0 445.924 3.584 50 0 IHAARN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc(=O)c2c1 ZINC000008612369 562959174 /nfs/dbraw/zinc/95/91/74/562959174.db2.gz RFLGQWQNKWGPNC-INIZCTEOSA-N 0 0 440.521 3.774 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1 ZINC000008620317 562959990 /nfs/dbraw/zinc/95/99/90/562959990.db2.gz YWWWPPBIRZAUFZ-HNNXBMFYSA-N 0 0 427.530 3.514 50 0 IHAARN NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000008666689 562960526 /nfs/dbraw/zinc/96/05/26/562960526.db2.gz ODSJXDFQOLUBFT-SFHVURJKSA-N 0 0 436.537 3.683 50 0 IHAARN Cn1c(-c2cccc(OCc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000008671588 562960935 /nfs/dbraw/zinc/96/09/35/562960935.db2.gz MLYJUXFRTBNDRB-UHFFFAOYSA-N 0 0 438.487 3.718 50 0 IHAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)nc12 ZINC000008673369 562961221 /nfs/dbraw/zinc/96/12/21/562961221.db2.gz RLEFTVKSBDPQGQ-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 ZINC000008673874 562961374 /nfs/dbraw/zinc/96/13/74/562961374.db2.gz RUIJPWNGWFSZPJ-UHFFFAOYSA-N 0 0 443.550 3.508 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1 ZINC000008680352 562961510 /nfs/dbraw/zinc/96/15/10/562961510.db2.gz TTWJFNWANAFOQX-UHFFFAOYSA-N 0 0 442.562 3.789 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccco2)s1 ZINC000008684502 562962144 /nfs/dbraw/zinc/96/21/44/562962144.db2.gz BAULUFGGBVACRA-UHFFFAOYSA-N 0 0 440.568 3.673 50 0 IHAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1OC ZINC000008687244 562962993 /nfs/dbraw/zinc/96/29/93/562962993.db2.gz ZLIFRLVJFYDKGV-UHFFFAOYSA-N 0 0 435.509 3.623 50 0 IHAARN Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCc3cccnc3)s2)CC1=O ZINC000008824626 562964353 /nfs/dbraw/zinc/96/43/53/562964353.db2.gz CXHXIQIISLMHCC-OAHLLOKOSA-N 0 0 425.539 3.525 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 ZINC000008860341 562965421 /nfs/dbraw/zinc/96/54/21/562965421.db2.gz RKWDCVZJRZTTPE-UHFFFAOYSA-N 0 0 445.928 3.766 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(NC(C)C)n1 ZINC000008941204 562966261 /nfs/dbraw/zinc/96/62/61/562966261.db2.gz PMBCTPUNHJUVQJ-UHFFFAOYSA-N 0 0 428.606 3.701 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009126372 562967513 /nfs/dbraw/zinc/96/75/13/562967513.db2.gz XUTMYPQORBQNIW-GOSISDBHSA-N 0 0 427.932 3.564 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2c(c1)OCCO2 ZINC000009171339 562967958 /nfs/dbraw/zinc/96/79/58/562967958.db2.gz LVDUBJNHDGZJST-UHFFFAOYSA-N 0 0 428.794 3.841 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000009283379 562968847 /nfs/dbraw/zinc/96/88/47/562968847.db2.gz CVRSIZBQUTYICY-UHFFFAOYSA-N 0 0 428.794 3.613 50 0 IHAARN Cc1ccccc1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009276521 562968745 /nfs/dbraw/zinc/96/87/45/562968745.db2.gz MRBOPMMVUNPSGP-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN CC1(C)Cc2nc3oc4c(ncn(CC(=O)Nc5ccc(Cl)cc5)c4=O)c3cc2CO1 ZINC000009293725 562968985 /nfs/dbraw/zinc/96/89/85/562968985.db2.gz IUFHHTQPUSXQBT-UHFFFAOYSA-N 0 0 438.871 3.681 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1OCC ZINC000009499479 562972336 /nfs/dbraw/zinc/97/23/36/562972336.db2.gz JTPKNPVSMFOXJN-OAQYLSRUSA-N 0 0 440.540 3.944 50 0 IHAARN COc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)cc(NC(=O)c2cccs2)c1OC ZINC000009510300 562972659 /nfs/dbraw/zinc/97/26/59/562972659.db2.gz NDQFNZWBBRKADX-CQSZACIVSA-N 0 0 446.525 3.575 50 0 IHAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713495 562975721 /nfs/dbraw/zinc/97/57/21/562975721.db2.gz MYOGSTPDMPQDCP-UHFFFAOYSA-N 0 0 426.542 3.726 50 0 IHAARN CCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723659 562976033 /nfs/dbraw/zinc/97/60/33/562976033.db2.gz CNFXJPSXFJUCCA-MGPUTAFESA-N 0 0 449.573 3.580 50 0 IHAARN COc1cc(OC)c(N(C)C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1Cl ZINC000009776650 562976765 /nfs/dbraw/zinc/97/67/65/562976765.db2.gz OAIOLKLGUZCPMY-UHFFFAOYSA-N 0 0 446.887 3.503 50 0 IHAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009957372 562977883 /nfs/dbraw/zinc/97/78/83/562977883.db2.gz FBMQDWWDDBYDML-UHFFFAOYSA-N 0 0 444.553 3.862 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000012906597 562983468 /nfs/dbraw/zinc/98/34/68/562983468.db2.gz ITAXAFLDJLOENB-UHFFFAOYSA-N 0 0 436.961 3.608 50 0 IHAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC ZINC000012972952 562983702 /nfs/dbraw/zinc/98/37/02/562983702.db2.gz ZJZOHEMEAYQNMS-QGZVFWFLSA-N 0 0 437.521 3.815 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013012110 562984137 /nfs/dbraw/zinc/98/41/37/562984137.db2.gz INBKIMKOZNZUMS-UHFFFAOYSA-N 0 0 435.549 3.917 50 0 IHAARN COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000013143756 562985273 /nfs/dbraw/zinc/98/52/73/562985273.db2.gz IAPCCGCKECZCOG-JCGVRSQUSA-N 0 0 446.573 3.898 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1 ZINC000013147373 562985328 /nfs/dbraw/zinc/98/53/28/562985328.db2.gz RSVYERVUTYOQAF-OKILXGFUSA-N 0 0 446.554 3.717 50 0 IHAARN COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@@H]1CCCO1 ZINC000013152703 562985465 /nfs/dbraw/zinc/98/54/65/562985465.db2.gz XTOAWMVAZOOIGP-LDWQWDCMSA-N 0 0 437.521 3.968 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000015613970 563017973 /nfs/dbraw/zinc/01/79/73/563017973.db2.gz LPVFWGDNQAMBAP-OWWADGOUSA-N 0 0 428.529 3.555 50 0 IHAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020419352 563024833 /nfs/dbraw/zinc/02/48/33/563024833.db2.gz RZBKZNYVDFDGCS-HXUWFJFHSA-N 0 0 436.474 3.860 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000044389085 563122075 /nfs/dbraw/zinc/12/20/75/563122075.db2.gz JNUHIXVJDOWOGL-UHFFFAOYSA-N 0 0 430.424 3.716 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000057575733 563143179 /nfs/dbraw/zinc/14/31/79/563143179.db2.gz CQYQGSBWTIOECT-UHFFFAOYSA-N 0 0 439.556 3.579 50 0 IHAARN COc1cc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc(OC)c1OC ZINC000058058207 563143300 /nfs/dbraw/zinc/14/33/00/563143300.db2.gz NNKVUACOWDPTOS-UHFFFAOYSA-N 0 0 444.919 3.738 50 0 IHAARN CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982498 568622623 /nfs/dbraw/zinc/62/26/23/568622623.db2.gz RFLXVEGBDGGWDI-LEWJYISDSA-N 0 0 428.504 3.525 50 0 IHAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000019076919 568637086 /nfs/dbraw/zinc/63/70/86/568637086.db2.gz KQCKTDGYLGSLNL-KRWDZBQOSA-N 0 0 444.582 3.798 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000019078118 568638131 /nfs/dbraw/zinc/63/81/31/568638131.db2.gz IZNUYUUWXYOMEY-UHFFFAOYSA-N 0 0 438.465 3.671 50 0 IHAARN CCOC(=O)c1cccc(Cn2cnc3sc(C(=O)OCC(C)C)c(C)c3c2=O)c1 ZINC000000938120 568639236 /nfs/dbraw/zinc/63/92/36/568639236.db2.gz ZGWNZLDENMLZBJ-UHFFFAOYSA-N 0 0 428.510 3.804 50 0 IHAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc(OC)c2)cc1 ZINC000086066342 568644423 /nfs/dbraw/zinc/64/44/23/568644423.db2.gz FMCKYFFHYDYFNV-UHFFFAOYSA-N 0 0 431.496 3.995 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC(=O)c2ccccc2)c(OCC)c1 ZINC000000956321 568645869 /nfs/dbraw/zinc/64/58/69/568645869.db2.gz MJUOBTOBGQJABU-HXUWFJFHSA-N 0 0 440.521 3.660 50 0 IHAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000025326417 568653537 /nfs/dbraw/zinc/65/35/37/568653537.db2.gz SBHREZGMBNJGJN-UHFFFAOYSA-N 0 0 439.541 3.737 50 0 IHAARN COc1ccc(CCNC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1OC ZINC000001098138 568658878 /nfs/dbraw/zinc/65/88/78/568658878.db2.gz LBUUNLRWNNQSGS-IBGZPJMESA-N 0 0 446.809 3.886 50 0 IHAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C1=O ZINC000001149651 568662433 /nfs/dbraw/zinc/66/24/33/568662433.db2.gz PUJCMJCEVHFCPZ-UNOMPAQXSA-N 0 0 427.478 3.874 50 0 IHAARN O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccccc1Cl ZINC000001165339 568664542 /nfs/dbraw/zinc/66/45/42/568664542.db2.gz NJVSQGOPHZKXIB-UHFFFAOYSA-N 0 0 445.306 3.904 50 0 IHAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)C[C@@H](OC(C)=O)[C@@H]2[C@]2(C)CCC(=O)C[C@H]12 ZINC000257348436 568731080 /nfs/dbraw/zinc/73/10/80/568731080.db2.gz FNUFMOJRTSZHES-ROZYNREVSA-N 0 0 432.557 3.887 50 0 IHAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)[C@H](O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257347295 568731097 /nfs/dbraw/zinc/73/10/97/568731097.db2.gz DGRJLOFFNWNGJO-IZSYTHCKSA-N 0 0 446.628 3.944 50 0 IHAARN C[C@@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)[C@H](O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257347294 568731100 /nfs/dbraw/zinc/73/11/00/568731100.db2.gz DGRJLOFFNWNGJO-GBKSRUDASA-N 0 0 446.628 3.944 50 0 IHAARN 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O=C(c1ccc2c3c(cccc31)CC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025906349 568791051 /nfs/dbraw/zinc/79/10/51/568791051.db2.gz DOQFLFIHUILKJD-UHFFFAOYSA-N 0 0 426.563 3.583 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000001425278 568793799 /nfs/dbraw/zinc/79/37/99/568793799.db2.gz DJBZTOJXXNHEIN-HXUWFJFHSA-N 0 0 428.510 3.667 50 0 IHAARN CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000001426391 568793936 /nfs/dbraw/zinc/79/39/36/568793936.db2.gz CAHNXZQIVHCZDE-LJQANCHMSA-N 0 0 438.509 3.535 50 0 IHAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc4c(c3)OCO4)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427010 568793946 /nfs/dbraw/zinc/79/39/46/568793946.db2.gz HMJFZFRRRYKMCS-NOZRDPDXSA-N 0 0 449.459 3.971 50 0 IHAARN CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1OCC ZINC000012752722 568795589 /nfs/dbraw/zinc/79/55/89/568795589.db2.gz HTMVDEQBCOVMTJ-CQSZACIVSA-N 0 0 449.345 3.854 50 0 IHAARN Cn1c(SCc2noc([C@H]3COc4ccccc4O3)n2)nnc1-c1ccccc1F ZINC000084307044 568797031 /nfs/dbraw/zinc/79/70/31/568797031.db2.gz AYCALINEWCFNCR-MRXNPFEDSA-N 0 0 425.445 3.809 50 0 IHAARN Cc1cc2c(nc(SCC(=O)NCCc3ccccc3)n(Cc3ccco3)c2=O)s1 ZINC000010381720 568798421 /nfs/dbraw/zinc/79/84/21/568798421.db2.gz YURYBAACIURVHS-UHFFFAOYSA-N 0 0 439.562 3.859 50 0 IHAARN CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)cc1 ZINC000084509864 568798431 /nfs/dbraw/zinc/79/84/31/568798431.db2.gz KQGYEFKQUTZKHL-IBGZPJMESA-N 0 0 425.920 3.822 50 0 IHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015649204 568800877 /nfs/dbraw/zinc/80/08/77/568800877.db2.gz QMBZJYNDTZPTCU-AWEZNQCLSA-N 0 0 435.307 3.776 50 0 IHAARN CCN(C(=O)COc1ccc(I)cc1)[C@@H](C)c1cccc(O)c1 ZINC000084760697 568801080 /nfs/dbraw/zinc/80/10/80/568801080.db2.gz DTADUYDUIKPOAG-ZDUSSCGKSA-N 0 0 425.266 3.985 50 0 IHAARN CCN(C(=O)CN1CCC[C@@H](C(=O)NC2CCCCC2)C1)c1nc2ccccc2s1 ZINC000084779721 568801346 /nfs/dbraw/zinc/80/13/46/568801346.db2.gz KRNDMOXMCDQALY-QGZVFWFLSA-N 0 0 428.602 3.810 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3)n2)c1 ZINC000015670546 568802514 /nfs/dbraw/zinc/80/25/14/568802514.db2.gz DMBKISVHSAUHQB-GOSISDBHSA-N 0 0 430.443 3.655 50 0 IHAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1 ZINC000015671310 568802534 /nfs/dbraw/zinc/80/25/34/568802534.db2.gz VOKJNUVLYVXDNN-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN CCCSCCCNC(=O)CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000015677949 568805010 /nfs/dbraw/zinc/80/50/10/568805010.db2.gz OVGQKSQGDLNKMA-NRFANRHFSA-N 0 0 427.570 3.978 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCCc1ccccc1 ZINC000015680788 568806572 /nfs/dbraw/zinc/80/65/72/568806572.db2.gz ACGZHRBCTYUKLY-UHFFFAOYSA-N 0 0 432.545 3.974 50 0 IHAARN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000015681594 568806665 /nfs/dbraw/zinc/80/66/65/568806665.db2.gz CHVQTAZHKKMSLG-LJQANCHMSA-N 0 0 449.530 3.667 50 0 IHAARN Cc1ccccc1CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722623 568812284 /nfs/dbraw/zinc/81/22/84/568812284.db2.gz PFLQBDITHUVNMT-UHFFFAOYSA-N 0 0 439.581 3.831 50 0 IHAARN C=C1C(N2CCC(C(=O)NCCCC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732975 568815487 /nfs/dbraw/zinc/81/54/87/568815487.db2.gz OOVGAQULFJSMMO-UHFFFAOYSA-N 0 0 431.602 3.911 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000001449934 568817666 /nfs/dbraw/zinc/81/76/66/568817666.db2.gz ATKXWSCFAYVARC-NRFANRHFSA-N 0 0 426.538 3.939 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCSc1nnc3ccccn31)CCCC2 ZINC000001466035 568820276 /nfs/dbraw/zinc/82/02/76/568820276.db2.gz BRERDPQWKMGNJH-UHFFFAOYSA-N 0 0 430.555 3.967 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NCCC1=CCCCC1 ZINC000006066485 568820447 /nfs/dbraw/zinc/82/04/47/568820447.db2.gz KTRZBYJKOFZVRQ-GOSISDBHSA-N 0 0 427.570 3.674 50 0 IHAARN CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000015771490 568822544 /nfs/dbraw/zinc/82/25/44/568822544.db2.gz FJTASWVCLJGMSB-UHFFFAOYSA-N 0 0 428.514 3.760 50 0 IHAARN CC(C)CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 ZINC000015771844 568822714 /nfs/dbraw/zinc/82/27/14/568822714.db2.gz NWTCUBSUDYCRLA-UHFFFAOYSA-N 0 0 442.541 3.691 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000015771777 568822716 /nfs/dbraw/zinc/82/27/16/568822716.db2.gz BFLCSSCMHLMIRI-UHFFFAOYSA-N 0 0 442.541 3.691 50 0 IHAARN CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 ZINC000015772292 568822896 /nfs/dbraw/zinc/82/28/96/568822896.db2.gz XXWNWZLXQLZDBQ-UHFFFAOYSA-N 0 0 447.447 3.604 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000015774044 568823104 /nfs/dbraw/zinc/82/31/04/568823104.db2.gz XXWKGKLEUVQPKZ-JOCHJYFZSA-N 0 0 430.504 3.982 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)NCc1ccccc1Cl ZINC000015776370 568823848 /nfs/dbraw/zinc/82/38/48/568823848.db2.gz VTYJPZQIMAMHAQ-UHFFFAOYSA-N 0 0 438.894 3.778 50 0 IHAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000085577821 568825563 /nfs/dbraw/zinc/82/55/63/568825563.db2.gz WLLVGNAOSYKNSM-UHFFFAOYSA-N 0 0 431.515 3.797 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CCC)CCC3)cc1 ZINC000015781378 568825807 /nfs/dbraw/zinc/82/58/07/568825807.db2.gz IAHXIUYZCCOMEQ-UHFFFAOYSA-N 0 0 436.599 3.932 50 0 IHAARN CSc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)cc1 ZINC000015782882 568826519 /nfs/dbraw/zinc/82/65/19/568826519.db2.gz DXTZDDBBHVKXGV-UHFFFAOYSA-N 0 0 434.565 3.890 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(Cl)cc1 ZINC000015783986 568826771 /nfs/dbraw/zinc/82/67/71/568826771.db2.gz ATRNGWYHGZTUPP-UHFFFAOYSA-N 0 0 436.921 3.771 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)ccc21 ZINC000015784346 568827478 /nfs/dbraw/zinc/82/74/78/568827478.db2.gz BTAASGRIOBXMTO-GOSISDBHSA-N 0 0 445.972 3.549 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2Cl)cc1 ZINC000006110843 568828500 /nfs/dbraw/zinc/82/85/00/568828500.db2.gz YWYRSGBHVQRJMR-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN COc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)c1OC ZINC000085642101 568828864 /nfs/dbraw/zinc/82/88/64/568828864.db2.gz NKGIDWFQUXGVDO-UHFFFAOYSA-N 0 0 443.525 3.841 50 0 IHAARN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)CCCC2 ZINC000001119938 568836642 /nfs/dbraw/zinc/83/66/42/568836642.db2.gz UGIPXELUWRIPDG-LJQANCHMSA-N 0 0 449.532 3.730 50 0 IHAARN CCN1c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c3cccc(c23)C1=O ZINC000001511480 568837436 /nfs/dbraw/zinc/83/74/36/568837436.db2.gz ULXABDBIGXOMKH-UHFFFAOYSA-N 0 0 449.532 3.857 50 0 IHAARN COc1cccc(NC(=O)COc2cc(CSc3nc(C)cc(C)n3)ncc2OC)c1 ZINC000015824457 568840401 /nfs/dbraw/zinc/84/04/01/568840401.db2.gz FGSLVNVEMDERMQ-UHFFFAOYSA-N 0 0 440.525 3.815 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2OC)cc1 ZINC000015825643 568840627 /nfs/dbraw/zinc/84/06/27/568840627.db2.gz RYJRUXUGDAWGJX-UHFFFAOYSA-N 0 0 425.510 3.848 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 ZINC000015829686 568841444 /nfs/dbraw/zinc/84/14/44/568841444.db2.gz FFHHABQLSLXLCU-UHFFFAOYSA-N 0 0 425.539 3.957 50 0 IHAARN O=C(c1ccc(Br)o1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015830850 568841651 /nfs/dbraw/zinc/84/16/51/568841651.db2.gz AKLRAMXKQOCHOV-UHFFFAOYSA-N 0 0 425.286 3.805 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccc(-c2ccccc2)cc1 ZINC000104272287 568843731 /nfs/dbraw/zinc/84/37/31/568843731.db2.gz KQSZOQSYWIEUIS-VPBXCIAMSA-N 0 0 447.494 3.951 50 0 IHAARN COc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000015865591 568850478 /nfs/dbraw/zinc/85/04/78/568850478.db2.gz MBEXSAPUYYHMCI-QFIPXVFZSA-N 0 0 440.496 3.589 50 0 IHAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccccc4OC)CC3)[nH]c2c1 ZINC000015868637 568852264 /nfs/dbraw/zinc/85/22/64/568852264.db2.gz WLLCXKFIQMIXPD-KRWDZBQOSA-N 0 0 449.551 3.990 50 0 IHAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121430 568852504 /nfs/dbraw/zinc/85/25/04/568852504.db2.gz SNIXYDDDBYWXHD-UHFFFAOYSA-N 0 0 442.947 3.949 50 0 IHAARN O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccccc1 ZINC000015880535 568854918 /nfs/dbraw/zinc/85/49/18/568854918.db2.gz VFFZBYDBCOHUEZ-UHFFFAOYSA-N 0 0 439.516 3.818 50 0 IHAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000015881426 568855058 /nfs/dbraw/zinc/85/50/58/568855058.db2.gz YRSZQHOPCWTWNV-UHFFFAOYSA-N 0 0 429.524 3.993 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)CC2=O)cc1OC ZINC000015881871 568855749 /nfs/dbraw/zinc/85/57/49/568855749.db2.gz VRAXNRLRTXMCHU-NRFANRHFSA-N 0 0 430.504 3.835 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000015882719 568857256 /nfs/dbraw/zinc/85/72/56/568857256.db2.gz RYUOWAWHBSWOAA-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000015883357 568857564 /nfs/dbraw/zinc/85/75/64/568857564.db2.gz QICWQHMXJAJHCK-UHFFFAOYSA-N 0 0 431.423 3.623 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1C ZINC000012937008 568865904 /nfs/dbraw/zinc/86/59/04/568865904.db2.gz HPIJIFYFMNXUFC-UHFFFAOYSA-N 0 0 435.524 3.656 50 0 IHAARN CC(=O)Nc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000016047946 568869228 /nfs/dbraw/zinc/86/92/28/568869228.db2.gz IWHAZOYNNPSMRX-UHFFFAOYSA-N 0 0 437.930 3.711 50 0 IHAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(SCCC(=O)OC)c2c1C ZINC000012940944 568869789 /nfs/dbraw/zinc/86/97/89/568869789.db2.gz RRZQYZFKJXNZKY-UHFFFAOYSA-N 0 0 437.587 3.818 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)s1 ZINC000012942846 568870064 /nfs/dbraw/zinc/87/00/64/568870064.db2.gz GFKJVDYVAIDVLZ-UHFFFAOYSA-N 0 0 448.957 3.530 50 0 IHAARN C/C=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000016111143 568870729 /nfs/dbraw/zinc/87/07/29/568870729.db2.gz FUXRHVIOHWHZCZ-SNAWJCMRSA-N 0 0 426.488 3.798 50 0 IHAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000012949917 568871800 /nfs/dbraw/zinc/87/18/00/568871800.db2.gz DRGYDRADSNTZNE-OAQYLSRUSA-N 0 0 429.567 3.585 50 0 IHAARN NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000016200148 568872667 /nfs/dbraw/zinc/87/26/67/568872667.db2.gz YWPYWSXLABXVTA-UHFFFAOYSA-N 0 0 437.399 3.792 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)CC1 ZINC000008663752 568877655 /nfs/dbraw/zinc/87/76/55/568877655.db2.gz FNNMWOSZYXHTDJ-UHFFFAOYSA-N 0 0 442.566 3.878 50 0 IHAARN Cc1nc(N2CCC(NC(=O)CSc3ccc(F)cc3)CC2)cc(C(F)(F)F)n1 ZINC000575604614 568877823 /nfs/dbraw/zinc/87/78/23/568877823.db2.gz APFXAEOWOSEAHZ-UHFFFAOYSA-N 0 0 428.455 3.820 50 0 IHAARN CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4ccncc4Cl)C3)C2=O)cc1 ZINC000575611499 568878963 /nfs/dbraw/zinc/87/89/63/568878963.db2.gz YXZFQEYUGZHOAO-LJQANCHMSA-N 0 0 442.947 3.780 50 0 IHAARN CCOc1ccc2ccccc2c1C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C ZINC000575611929 568879134 /nfs/dbraw/zinc/87/91/34/568879134.db2.gz IODNPTBRQAOEIK-UHFFFAOYSA-N 0 0 425.510 3.930 50 0 IHAARN Cc1nn(CCNS(=O)(=O)c2ccccc2Br)c(C)c1-c1cccs1 ZINC000575612501 568879332 /nfs/dbraw/zinc/87/93/32/568879332.db2.gz FYUZNJWXQYQLQN-UHFFFAOYSA-N 0 0 440.388 3.969 50 0 IHAARN Cc1nn(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1-c1ccco1 ZINC000575614716 568881134 /nfs/dbraw/zinc/88/11/34/568881134.db2.gz CKCAIRXTTUJXJM-UHFFFAOYSA-N 0 0 429.420 3.637 50 0 IHAARN Cc1nn(CCNS(=O)(=O)c2ccc(Br)s2)c(C)c1-c1ccco1 ZINC000575616188 568881480 /nfs/dbraw/zinc/88/14/80/568881480.db2.gz XRXGAWDBXLMGGT-UHFFFAOYSA-N 0 0 430.349 3.562 50 0 IHAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615921 568881528 /nfs/dbraw/zinc/88/15/28/568881528.db2.gz HAUDETYCASSHSX-FQEVSTJZSA-N 0 0 447.919 3.871 50 0 IHAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 ZINC000575619296 568882939 /nfs/dbraw/zinc/88/29/39/568882939.db2.gz CWGFRBYPGFSQKZ-LBPRGKRZSA-N 0 0 429.361 3.838 50 0 IHAARN C[C@@H]1CN([C@@H](CNC(=O)C2=NO[C@@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 ZINC000229550936 568886714 /nfs/dbraw/zinc/88/67/14/568886714.db2.gz BTDBEUWKXACCRQ-GQWLDOHISA-N 0 0 445.922 3.875 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532865 568886801 /nfs/dbraw/zinc/88/68/01/568886801.db2.gz NKUMNROOTGMRFJ-HRAATJIYSA-N 0 0 427.932 3.867 50 0 IHAARN Cc1nc(-c2cccs2)sc1CNC(=O)C[C@H]1CSc2nc(C)c(C)c(=O)n21 ZINC000090592777 568888700 /nfs/dbraw/zinc/88/87/00/568888700.db2.gz VNUCILQILAQOND-ZDUSSCGKSA-N 0 0 432.596 3.707 50 0 IHAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C[C@H]1CSc2ncc(C)c(=O)n21 ZINC000090593261 568888883 /nfs/dbraw/zinc/88/88/83/568888883.db2.gz OYELRCJCFHWUFA-ZDUSSCGKSA-N 0 0 446.985 3.990 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000090594456 568889223 /nfs/dbraw/zinc/88/92/23/568889223.db2.gz OGJXIQQDAZEHSS-LJQANCHMSA-N 0 0 448.479 3.566 50 0 IHAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1C(=O)OC ZINC000090594507 568889356 /nfs/dbraw/zinc/88/93/56/568889356.db2.gz RMJHWVBFKZQNNC-SFHVURJKSA-N 0 0 436.443 3.560 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)NCCNc1cc(Nc2cc(C)ccn2)ncn1 ZINC000090607996 568890510 /nfs/dbraw/zinc/89/05/10/568890510.db2.gz QHIXSLDZFYUNGX-UHFFFAOYSA-N 0 0 427.896 3.819 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc21 ZINC000012977209 568891227 /nfs/dbraw/zinc/89/12/27/568891227.db2.gz WLRTYVGWSUEUSA-HNNXBMFYSA-N 0 0 443.573 3.615 50 0 IHAARN COc1cccc2cc(C(=O)NCc3ccc([C@H](O)c4cccs4)s3)c(=O)oc21 ZINC000090613646 568892504 /nfs/dbraw/zinc/89/25/04/568892504.db2.gz FFHFCERSCLZXMF-GOSISDBHSA-N 0 0 427.503 3.936 50 0 IHAARN CC(C)c1nnc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)s1 ZINC000026601786 568892745 /nfs/dbraw/zinc/89/27/45/568892745.db2.gz UBUVPQWDLRUPSJ-KRWDZBQOSA-N 0 0 432.571 3.756 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1Br ZINC000012998764 568897772 /nfs/dbraw/zinc/89/77/72/568897772.db2.gz LFEUXHJIYHLOML-AWEZNQCLSA-N 0 0 436.325 3.997 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000013005574 568899338 /nfs/dbraw/zinc/89/93/38/568899338.db2.gz ISKIRNWFGXZPBN-UHFFFAOYSA-N 0 0 440.569 3.674 50 0 IHAARN Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1 ZINC000013007597 568899595 /nfs/dbraw/zinc/89/95/95/568899595.db2.gz ICGCXPLDJXEAOG-INIZCTEOSA-N 0 0 434.521 3.762 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 ZINC000013010146 568899714 /nfs/dbraw/zinc/89/97/14/568899714.db2.gz QOYBWEHCMQWGKF-CQSZACIVSA-N 0 0 427.574 3.631 50 0 IHAARN C[C@@H](NC(=O)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000013011323 568900711 /nfs/dbraw/zinc/90/07/11/568900711.db2.gz AWKDYEOKDJIXMV-MSOLQXFVSA-N 0 0 428.598 3.839 50 0 IHAARN COC(=O)c1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 ZINC000013016454 568901672 /nfs/dbraw/zinc/90/16/72/568901672.db2.gz QZIPPLKNIVAZEK-UHFFFAOYSA-N 0 0 439.537 3.552 50 0 IHAARN C[C@H](SCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)C(=O)NCCc1ccccc1 ZINC000013014183 568901862 /nfs/dbraw/zinc/90/18/62/568901862.db2.gz SFICGKFFVFMNRE-AWEZNQCLSA-N 0 0 442.976 3.831 50 0 IHAARN CCOc1ccccc1Nc1nn(CN2CCN(Cc3ccccn3)CC2)c(=S)s1 ZINC000089272448 568909910 /nfs/dbraw/zinc/90/99/10/568909910.db2.gz IPRDODNILYYFDE-UHFFFAOYSA-N 0 0 442.614 3.987 50 0 IHAARN O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000240668081 568911981 /nfs/dbraw/zinc/91/19/81/568911981.db2.gz HMFXFYPSJXNTPO-UHFFFAOYSA-N 0 0 437.455 3.667 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000241515673 568912398 /nfs/dbraw/zinc/91/23/98/568912398.db2.gz OGXMJWWABSUXIK-YUTCNCBUSA-N 0 0 445.199 3.707 50 0 IHAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245254558 568913418 /nfs/dbraw/zinc/91/34/18/568913418.db2.gz AFBKHIUFLLKDFT-HSSMHZGQSA-N 0 0 431.536 3.834 50 0 IHAARN O=C(CCCNC(=O)c1cccs1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000026790951 568917003 /nfs/dbraw/zinc/91/70/03/568917003.db2.gz AZWQWSYCCHHUFG-UHFFFAOYSA-N 0 0 447.358 3.904 50 0 IHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC(C)(C)C ZINC000016498647 568920383 /nfs/dbraw/zinc/92/03/83/568920383.db2.gz RNVKVRHTVTVGRE-UHFFFAOYSA-N 0 0 438.521 3.550 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Cc1ccccc1 ZINC000089368682 568921393 /nfs/dbraw/zinc/92/13/93/568921393.db2.gz WXFPPGCVDDLENV-MRXNPFEDSA-N 0 0 440.496 3.557 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001916993 568922464 /nfs/dbraw/zinc/92/24/64/568922464.db2.gz POVHEEFITRQMCN-GOSISDBHSA-N 0 0 428.872 3.533 50 0 IHAARN CCOC(=O)[C@H](c1cc(OC)ccc1OC)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000037341936 568922965 /nfs/dbraw/zinc/92/29/65/568922965.db2.gz MYZGNJUAFVUAIP-QZMQVMSPSA-N 0 0 439.508 3.734 50 0 IHAARN CCOC(=O)CCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C1CC1 ZINC000035796672 568923325 /nfs/dbraw/zinc/92/33/25/568923325.db2.gz ZVKUDSAMUMBHRG-UHFFFAOYSA-N 0 0 428.554 3.611 50 0 IHAARN COc1ccc(CCNC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000089442362 568925139 /nfs/dbraw/zinc/92/51/39/568925139.db2.gz XPICRALDBKRUJP-UHFFFAOYSA-N 0 0 447.626 3.789 50 0 IHAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000064438467 568928208 /nfs/dbraw/zinc/92/82/08/568928208.db2.gz PTSFBBVIIOPTSN-UHFFFAOYSA-N 0 0 427.932 3.561 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccccc4C)no3)c(C)c2c1=O ZINC000064439203 568928475 /nfs/dbraw/zinc/92/84/75/568928475.db2.gz AGNULDRUPWFVNS-CYBMUJFWSA-N 0 0 437.525 3.707 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3C)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000064439199 568928503 /nfs/dbraw/zinc/92/85/03/568928503.db2.gz USYMGMDPDYXFSH-UHFFFAOYSA-N 0 0 449.536 3.804 50 0 IHAARN CCNC(=O)N1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450958 568928997 /nfs/dbraw/zinc/92/89/97/568928997.db2.gz QXDMIIHELYOKPH-UHFFFAOYSA-N 0 0 445.568 3.659 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)cc1OC ZINC000064450175 568929143 /nfs/dbraw/zinc/92/91/43/568929143.db2.gz YGZVGMGBNGIQAK-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1 ZINC000064566345 568933178 /nfs/dbraw/zinc/93/31/78/568933178.db2.gz QYLAKFADBDMERJ-OAHLLOKOSA-N 0 0 447.470 3.628 50 0 IHAARN CCCc1noc(-c2cc(S(=O)(=O)Nc3ccc(C(=O)OCC)cc3)ccc2OC)n1 ZINC000064580066 568934317 /nfs/dbraw/zinc/93/43/17/568934317.db2.gz VNWMCJZAQIYSMG-UHFFFAOYSA-N 0 0 445.497 3.675 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)c(OC)c1 ZINC000089544812 568937040 /nfs/dbraw/zinc/93/70/40/568937040.db2.gz UCWZLBUGXZPSKF-FYYLOGMGSA-N 0 0 443.544 3.729 50 0 IHAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000064605191 568939096 /nfs/dbraw/zinc/93/90/96/568939096.db2.gz LJFLFYRFQUHRSI-UHFFFAOYSA-N 0 0 442.878 3.936 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1 ZINC000064605294 568939442 /nfs/dbraw/zinc/93/94/42/568939442.db2.gz MUWCVJHKCJUBJT-UHFFFAOYSA-N 0 0 440.450 3.730 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@@H](C)C(=O)N3CCc4ccccc43)n2)cc1 ZINC000064605375 568939647 /nfs/dbraw/zinc/93/96/47/568939647.db2.gz DQFCNXBYQSAJJK-SFHVURJKSA-N 0 0 444.535 3.964 50 0 IHAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000054360573 568940485 /nfs/dbraw/zinc/94/04/85/568940485.db2.gz OQHRJJPPUASKEY-UHFFFAOYSA-N 0 0 447.472 3.933 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(C)C ZINC000006624295 568942031 /nfs/dbraw/zinc/94/20/31/568942031.db2.gz OKDCAXLMEZADEK-VXKWHMMOSA-N 0 0 426.513 3.559 50 0 biogenic IHAARN Cc1cccc(NC(=S)N2CCC3(CC2)N[C@@H](Cc2ccccc2)C(=O)N3CC2CC2)c1 ZINC000036029799 568943636 /nfs/dbraw/zinc/94/36/36/568943636.db2.gz ZDQGNRKFZLJBHT-QHCPKHFHSA-N 0 0 448.636 3.937 50 0 IHAARN CCNC(=O)N(CC)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C ZINC000036031426 568944041 /nfs/dbraw/zinc/94/40/41/568944041.db2.gz NMZHRZSUFLCVHM-UHFFFAOYSA-N 0 0 440.997 3.718 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CCC1 ZINC000036069521 568945410 /nfs/dbraw/zinc/94/54/10/568945410.db2.gz IZVLVHIZRQHGPF-FQEVSTJZSA-N 0 0 449.599 3.528 50 0 IHAARN O=C(c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1)N1CCOCC1 ZINC000036072432 568946137 /nfs/dbraw/zinc/94/61/37/568946137.db2.gz ILUFSIVOWUFQCC-UHFFFAOYSA-N 0 0 445.441 3.767 50 0 IHAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)Cc2ccccc2)c1 ZINC000036073745 568946239 /nfs/dbraw/zinc/94/62/39/568946239.db2.gz CYVPADQKMNEDJV-UHFFFAOYSA-N 0 0 432.568 3.881 50 0 IHAARN Cc1ccc(Cn2nnc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2-n2cccc2)cc1 ZINC000064744077 568948855 /nfs/dbraw/zinc/94/88/55/568948855.db2.gz HFQBSZVLFVKGMS-UHFFFAOYSA-N 0 0 444.514 3.527 50 0 IHAARN COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCc3ccccc3C2)cc1 ZINC000064759100 568951783 /nfs/dbraw/zinc/95/17/83/568951783.db2.gz VKPTYXLWMOSLQJ-UHFFFAOYSA-N 0 0 427.508 3.792 50 0 IHAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCC5(CC4)OCCO5)n3)o2)cc1 ZINC000064775660 568954677 /nfs/dbraw/zinc/95/46/77/568954677.db2.gz PIBILJGYGJQKEQ-UHFFFAOYSA-N 0 0 429.480 3.999 50 0 IHAARN Cc1cn2c(nc(COc3ccccc3NC(=O)COc3ccc(F)cc3)cc2=O)s1 ZINC000064775678 568954679 /nfs/dbraw/zinc/95/46/79/568954679.db2.gz FGLMEXYAXNZPEP-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(C(C)=O)cc4)c(=O)[nH]c3C2)cc1 ZINC000064775483 568954706 /nfs/dbraw/zinc/95/47/06/568954706.db2.gz RUBLJLMVJXCUNH-QGZVFWFLSA-N 0 0 430.460 3.751 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787655 568956274 /nfs/dbraw/zinc/95/62/74/568956274.db2.gz IWUSAFJXXBKPJA-HSZRJFAPSA-N 0 0 429.520 3.869 50 0 IHAARN COc1ccccc1CN(C(=O)c1cccc(Cl)c1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000064791914 568958960 /nfs/dbraw/zinc/95/89/60/568958960.db2.gz WMBNJLVESMORRU-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCCCCC2)cc1 ZINC000064792697 568959354 /nfs/dbraw/zinc/95/93/54/568959354.db2.gz BPGGBRGPUYAUQK-HSZRJFAPSA-N 0 0 428.540 3.835 50 0 IHAARN CCCCNC(=O)CN1c2nnnn2[C@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1 ZINC000064793470 568959732 /nfs/dbraw/zinc/95/97/32/568959732.db2.gz LTYONFBNPWYNMT-FQEVSTJZSA-N 0 0 440.910 3.832 50 0 IHAARN Cc1ccccc1-n1c(SCC(=O)NC2CC2)nnc1-c1sc2ncccc2c1N ZINC000064794513 568959914 /nfs/dbraw/zinc/95/99/14/568959914.db2.gz RRBDKYMIAXJORQ-UHFFFAOYSA-N 0 0 436.566 3.805 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@@H]1CCCO1)C(=O)c1ccco1 ZINC000006712403 568961320 /nfs/dbraw/zinc/96/13/20/568961320.db2.gz IDEQOMCYCDJPLZ-FQEVSTJZSA-N 0 0 425.529 3.906 50 0 IHAARN Cc1ccccc1OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CC1 ZINC000036157001 568965682 /nfs/dbraw/zinc/96/56/82/568965682.db2.gz XIQXZOUTRXXQMR-KRWDZBQOSA-N 0 0 439.581 3.576 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818338 568966354 /nfs/dbraw/zinc/96/63/54/568966354.db2.gz RAKGIYPRKCGQGS-OAHLLOKOSA-N 0 0 438.915 3.915 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000064835691 568968848 /nfs/dbraw/zinc/96/88/48/568968848.db2.gz SJVQPCQPDYOMMP-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN CN(CCc1noc(-c2ccccc2F)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000064841375 568970176 /nfs/dbraw/zinc/97/01/76/568970176.db2.gz GRANTLPOOPSFAK-UHFFFAOYSA-N 0 0 440.294 3.501 50 0 IHAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000036185151 568970362 /nfs/dbraw/zinc/97/03/62/568970362.db2.gz NYTCSLBZKUUIJQ-UHFFFAOYSA-N 0 0 430.570 3.540 50 0 IHAARN CCc1ccccc1S(=O)(=O)N(C)CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000064841540 568970394 /nfs/dbraw/zinc/97/03/94/568970394.db2.gz IUNVVYOULVJPKJ-UHFFFAOYSA-N 0 0 435.933 3.728 50 0 IHAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000064842064 568970694 /nfs/dbraw/zinc/97/06/94/568970694.db2.gz XAPOZCZKDYUCNK-UHFFFAOYSA-N 0 0 443.290 3.983 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)cc3F)c(=O)c3noc(C)c32)cc1 ZINC000064842565 568970876 /nfs/dbraw/zinc/97/08/76/568970876.db2.gz CKPKTFBVUBMZMS-UHFFFAOYSA-N 0 0 442.834 3.800 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1OC ZINC000064844492 568971834 /nfs/dbraw/zinc/97/18/34/568971834.db2.gz CHCMBCCRIMVIHL-FQEVSTJZSA-N 0 0 432.524 3.694 50 0 IHAARN CCCN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C[C@@H](O)COCC ZINC000036206428 568972747 /nfs/dbraw/zinc/97/27/47/568972747.db2.gz NXRXUWAPAVTOSW-MRXNPFEDSA-N 0 0 435.977 3.914 50 0 IHAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 ZINC000064862206 568973958 /nfs/dbraw/zinc/97/39/58/568973958.db2.gz IBGIHOMGHGUJBA-UHFFFAOYSA-N 0 0 427.570 3.612 50 0 IHAARN CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036209637 568974153 /nfs/dbraw/zinc/97/41/53/568974153.db2.gz UHQFVIHGKIZQOZ-UTKZUKDTSA-N 0 0 441.597 3.560 50 0 IHAARN COc1cccc(NC(=O)c2c(C)c(S(=O)(=O)N3CCc4ccccc43)c(C)n2C)c1 ZINC000064865961 568974276 /nfs/dbraw/zinc/97/42/76/568974276.db2.gz XENUQHPOEGNQCT-UHFFFAOYSA-N 0 0 439.537 3.654 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000064866506 568974447 /nfs/dbraw/zinc/97/44/47/568974447.db2.gz FPCIIMZFHQFCCE-UHFFFAOYSA-N 0 0 444.509 3.860 50 0 IHAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCCc3ccccc3)c2)c1C ZINC000064867206 568975010 /nfs/dbraw/zinc/97/50/10/568975010.db2.gz AMZVGTWGKSMEDT-UHFFFAOYSA-N 0 0 426.538 3.790 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036210688 568975154 /nfs/dbraw/zinc/97/51/54/568975154.db2.gz NIGHHAVDOJVNFW-YKSBVNFPSA-N 0 0 449.595 3.869 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210675 568975211 /nfs/dbraw/zinc/97/52/11/568975211.db2.gz KPIMMHUDFHEGBM-GBXCKJPGSA-N 0 0 449.595 3.869 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2N1 ZINC000064869187 568975680 /nfs/dbraw/zinc/97/56/80/568975680.db2.gz JGTZLXYVJDVBQA-UHFFFAOYSA-N 0 0 433.386 3.550 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211992 568975913 /nfs/dbraw/zinc/97/59/13/568975913.db2.gz XZFFOWKQTAEAEZ-AVRDEDQJSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036212169 568975989 /nfs/dbraw/zinc/97/59/89/568975989.db2.gz QCKJMVDZOOLULG-WMZHIEFXSA-N 0 0 443.632 3.929 50 0 IHAARN CC(C)c1ccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)cc1 ZINC000064891690 568982700 /nfs/dbraw/zinc/98/27/00/568982700.db2.gz GFPDHVGQISBIHA-UHFFFAOYSA-N 0 0 430.508 3.598 50 0 IHAARN Cc1ccc2nc(NC(=O)CCn3nc(C(=O)Nc4cccc(C)c4)ccc3=O)sc2c1 ZINC000064891839 568982777 /nfs/dbraw/zinc/98/27/77/568982777.db2.gz OBYDDJCFEFVNJF-UHFFFAOYSA-N 0 0 447.520 3.751 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)Nc2cccc(Cl)c2)n1 ZINC000064892042 568982938 /nfs/dbraw/zinc/98/29/38/568982938.db2.gz MYEZCQBTAAEZHK-OAHLLOKOSA-N 0 0 436.899 3.517 50 0 IHAARN O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036251725 568984014 /nfs/dbraw/zinc/98/40/14/568984014.db2.gz KIGFTQOVHZSGTH-NRFANRHFSA-N 0 0 429.948 3.566 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251946 568984064 /nfs/dbraw/zinc/98/40/64/568984064.db2.gz SEHGUTLQMZLRCB-UZLBHIALSA-N 0 0 439.522 3.937 50 0 IHAARN COc1cccc(C(=O)N2CCN([C@H](C(=O)NCc3cccc(C)c3)C3CCCC3)CC2)c1 ZINC000036255331 568985048 /nfs/dbraw/zinc/98/50/48/568985048.db2.gz GLRYPYDPANIBKV-VWLOTQADSA-N 0 0 449.595 3.637 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000036255302 568985076 /nfs/dbraw/zinc/98/50/76/568985076.db2.gz YCBJZMLLOYTYGO-AREMUKBSSA-N 0 0 433.596 3.557 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1cccc(C)c1 ZINC000064924774 568986432 /nfs/dbraw/zinc/98/64/32/568986432.db2.gz XWOYPQYDNHNAPX-UHFFFAOYSA-N 0 0 432.572 3.827 50 0 IHAARN O=C(NC1CCCCCC1)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064927954 568986800 /nfs/dbraw/zinc/98/68/00/568986800.db2.gz YAMYSOSOWOHDJJ-UHFFFAOYSA-N 0 0 428.964 3.941 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)NCCC(C)C)CC3)c2=O)cc1 ZINC000064926374 568986915 /nfs/dbraw/zinc/98/69/15/568986915.db2.gz VNOIIBOPQDUOLT-UHFFFAOYSA-N 0 0 447.583 3.631 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)ccc2=O)cc1 ZINC000064927297 568987128 /nfs/dbraw/zinc/98/71/28/568987128.db2.gz YBHZYWCWKQQHAJ-IBGZPJMESA-N 0 0 430.552 3.889 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928585 568987773 /nfs/dbraw/zinc/98/77/73/568987773.db2.gz YOBGIIXGZARATH-AWEZNQCLSA-N 0 0 428.414 3.505 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930898 568989196 /nfs/dbraw/zinc/98/91/96/568989196.db2.gz YKLDPYXZIPHCOX-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064931052 568989237 /nfs/dbraw/zinc/98/92/37/568989237.db2.gz OLGRETLRHCYUOD-MRXNPFEDSA-N 0 0 446.529 3.764 50 0 IHAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064930919 568989256 /nfs/dbraw/zinc/98/92/56/568989256.db2.gz STQGBBZHIBNIGZ-KRWDZBQOSA-N 0 0 446.529 3.596 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064941755 568991276 /nfs/dbraw/zinc/99/12/76/568991276.db2.gz JXNFKDCFLVCMMU-KRWDZBQOSA-N 0 0 446.529 3.596 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2cccc(F)c2)no1 ZINC000064948507 568994478 /nfs/dbraw/zinc/99/44/78/568994478.db2.gz YLPOPQXULNVIGX-UHFFFAOYSA-N 0 0 443.456 3.618 50 0 IHAARN O=C(COc1ccccc1)N1CCN([C@H](C(=O)Nc2ccc(F)cc2)C2CCCC2)CC1 ZINC000036311215 568997147 /nfs/dbraw/zinc/99/71/47/568997147.db2.gz FLWFVDNYOLHCSW-DEOSSOPVSA-N 0 0 439.531 3.546 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(C)(C)C)ccc4o3)CC2)cc1 ZINC000064957223 568999459 /nfs/dbraw/zinc/99/94/59/568999459.db2.gz MJZGHYXTLOUGFL-UHFFFAOYSA-N 0 0 443.569 3.640 50 0 IHAARN COc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000064959183 568999768 /nfs/dbraw/zinc/99/97/68/568999768.db2.gz JAAIUGRZMGKQTB-HNNXBMFYSA-N 0 0 448.475 3.566 50 0 IHAARN CSc1ccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000064959787 569000058 /nfs/dbraw/zinc/00/00/58/569000058.db2.gz GUMBPRUJNQBBQU-UHFFFAOYSA-N 0 0 448.592 3.932 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970949 569076358 /nfs/dbraw/zinc/07/63/58/569076358.db2.gz UYJXKQOFXPLSNK-FQEVSTJZSA-N 0 0 433.487 3.606 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCCc1ccccc1)c2=O ZINC000064971174 569076528 /nfs/dbraw/zinc/07/65/28/569076528.db2.gz DOAILFPTNQRTIF-LJQANCHMSA-N 0 0 429.524 3.509 50 0 IHAARN CSc1ccc(CNC(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000064971300 569076533 /nfs/dbraw/zinc/07/65/33/569076533.db2.gz HMCZFGRLLMTUMZ-KRWDZBQOSA-N 0 0 447.564 3.798 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCCc1ccccc1 ZINC000064971555 569076754 /nfs/dbraw/zinc/07/67/54/569076754.db2.gz PGNRHNIIYJEEJK-UHFFFAOYSA-N 0 0 446.482 3.570 50 0 IHAARN COc1cccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c1 ZINC000064971768 569076818 /nfs/dbraw/zinc/07/68/18/569076818.db2.gz AFLXOVLNNCFQIJ-UHFFFAOYSA-N 0 0 444.491 3.507 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000064971941 569076855 /nfs/dbraw/zinc/07/68/55/569076855.db2.gz DBUDRPCBNYYLJM-UHFFFAOYSA-N 0 0 444.447 3.550 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000064972408 569076921 /nfs/dbraw/zinc/07/69/21/569076921.db2.gz PROYEIDKIDORGK-HSZRJFAPSA-N 0 0 438.524 3.566 50 0 IHAARN CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000006821281 569077857 /nfs/dbraw/zinc/07/78/57/569077857.db2.gz VZDBJVDHCDKYGO-HNNXBMFYSA-N 0 0 439.375 3.555 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)C1 ZINC000036341568 569079287 /nfs/dbraw/zinc/07/92/87/569079287.db2.gz RAAABUKBLQOBPM-REWPJTCUSA-N 0 0 437.515 3.779 50 0 IHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036342690 569079420 /nfs/dbraw/zinc/07/94/20/569079420.db2.gz OZENZVUDEVXEPS-XMMPIXPASA-N 0 0 448.567 3.755 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000036342373 569079500 /nfs/dbraw/zinc/07/95/00/569079500.db2.gz CJPSMETXTZBKLW-PKTZIBPZSA-N 0 0 437.515 3.921 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)C3CCCC3)C(=O)N3CCCCC3)CC2)cc1 ZINC000036342187 569079813 /nfs/dbraw/zinc/07/98/13/569079813.db2.gz RWTCECGWEFWTDB-HSZRJFAPSA-N 0 0 439.600 3.535 50 0 IHAARN O=C(NC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985646 569081992 /nfs/dbraw/zinc/08/19/92/569081992.db2.gz OWMDPNVUMRRCME-HXUWFJFHSA-N 0 0 434.945 3.745 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064986345 569082377 /nfs/dbraw/zinc/08/23/77/569082377.db2.gz OGJYOKPCRNPWAB-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN CCOc1ccc(NC(=O)NCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000064991348 569083594 /nfs/dbraw/zinc/08/35/94/569083594.db2.gz XVXDGLMUDXJKAT-UHFFFAOYSA-N 0 0 427.486 3.519 50 0 IHAARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000064998869 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O=C(OC[C@H]1CCCCO1)c1cc(I)ccc1Br ZINC000170593413 569141326 /nfs/dbraw/zinc/14/13/26/569141326.db2.gz STBLSUYTMYFUQO-SNVBAGLBSA-N 0 0 425.060 3.780 50 0 IHAARN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000170596551 569141742 /nfs/dbraw/zinc/14/17/42/569141742.db2.gz QOJMGONMYUKNHN-XLIONFOSSA-N 0 0 429.561 3.615 50 0 IHAARN C[C@@H](NCc1cc(Br)cc(Br)c1N)c1nnc2n1CCCC2 ZINC000170596335 569141907 /nfs/dbraw/zinc/14/19/07/569141907.db2.gz WOUZWQZZOZWTFB-SECBINFHSA-N 0 0 429.160 3.572 50 0 IHAARN Cc1cc(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000170596512 569142176 /nfs/dbraw/zinc/14/21/76/569142176.db2.gz IFNNCVHTFTXKEJ-ZDUSSCGKSA-N 0 0 435.450 3.990 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N(c1ncccn1)C1CCCCC1 ZINC000170607592 569144177 /nfs/dbraw/zinc/14/41/77/569144177.db2.gz WVBYMNAORGGIBG-OAHLLOKOSA-N 0 0 443.345 3.958 50 0 IHAARN CC(C)(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)c1 ZINC000170610608 569145054 /nfs/dbraw/zinc/14/50/54/569145054.db2.gz ARBUEWIVPDEXIU-UHFFFAOYSA-N 0 0 430.551 3.706 50 0 IHAARN CC[C@@H](C)C(=O)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2OC)CC1 ZINC000037276946 569145336 /nfs/dbraw/zinc/14/53/36/569145336.db2.gz VDKQTHIYACEQCO-LJQANCHMSA-N 0 0 437.584 3.799 50 0 IHAARN CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)COc3ccccc3)CC2)CC1 ZINC000037277111 569145480 /nfs/dbraw/zinc/14/54/80/569145480.db2.gz WGSQGFUXPQQGGL-UHFFFAOYSA-N 0 0 435.568 3.723 50 0 IHAARN Cc1ccc2nnc(CNC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2n1 ZINC000170613573 569146296 /nfs/dbraw/zinc/14/62/96/569146296.db2.gz WAICSZLHTNUJAI-UHFFFAOYSA-N 0 0 431.283 3.644 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614381 569146394 /nfs/dbraw/zinc/14/63/94/569146394.db2.gz NVBYRMKXCVJIMG-OAQYLSRUSA-N 0 0 437.544 3.534 50 0 IHAARN COCc1c(Br)cccc1NC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000170617000 569146762 /nfs/dbraw/zinc/14/67/62/569146762.db2.gz UAQPNKZJKNJJOV-UHFFFAOYSA-N 0 0 430.306 3.745 50 0 IHAARN NC(=O)[C@@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000170617473 569147398 /nfs/dbraw/zinc/14/73/98/569147398.db2.gz SKCLCBYXPBJEKR-QHCPKHFHSA-N 0 0 435.549 3.604 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1 ZINC000170619427 569147587 /nfs/dbraw/zinc/14/75/87/569147587.db2.gz AFETZGNEKSEFCR-UHFFFAOYSA-N 0 0 437.721 3.604 50 0 IHAARN COC(=O)[C@@H](C)NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 ZINC000170625772 569148459 /nfs/dbraw/zinc/14/84/59/569148459.db2.gz ZHTKXJUNEFLTET-CQSZACIVSA-N 0 0 425.481 3.645 50 0 biogenic IHAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(-n2nc(C)cc2C)n1 ZINC000009761577 569149122 /nfs/dbraw/zinc/14/91/22/569149122.db2.gz LEWJQRVQBNPSBM-UHFFFAOYSA-N 0 0 449.433 3.536 50 0 IHAARN O=C(Cn1ccc2cc(Br)ccc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000071284597 569150807 /nfs/dbraw/zinc/15/08/07/569150807.db2.gz KVDJXJLPXHGTQH-UHFFFAOYSA-N 0 0 438.329 3.853 50 0 IHAARN FC(F)(F)Oc1ccccc1Cc1nnc2sc(-c3n[nH]cc3Br)nn12 ZINC000071287515 569150890 /nfs/dbraw/zinc/15/08/90/569150890.db2.gz FHQPTYMXCKIMGB-UHFFFAOYSA-N 0 0 445.224 3.828 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000071285483 569150892 /nfs/dbraw/zinc/15/08/92/569150892.db2.gz NJIRFZZPLJIVFU-UHFFFAOYSA-N 0 0 449.935 3.863 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009954258 569151024 /nfs/dbraw/zinc/15/10/24/569151024.db2.gz XIVOZKMHLOASRV-MDOVXXIYSA-N 0 0 426.563 3.625 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(C)n1-c1nc[nH]n1 ZINC000010028708 569151810 /nfs/dbraw/zinc/15/18/10/569151810.db2.gz MTXNVEKLLBWEDG-UHFFFAOYSA-N 0 0 429.506 3.921 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000010060041 569152403 /nfs/dbraw/zinc/15/24/03/569152403.db2.gz HCXQYDGJAULBPM-UHFFFAOYSA-N 0 0 445.928 3.865 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1F ZINC000010060040 569152497 /nfs/dbraw/zinc/15/24/97/569152497.db2.gz NAEHSUUEEGITDR-UHFFFAOYSA-N 0 0 438.521 3.570 50 0 IHAARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)c(C)ccc3OC)cc1 ZINC000010218789 569153616 /nfs/dbraw/zinc/15/36/16/569153616.db2.gz IWTNIZIXTOFOBZ-UHFFFAOYSA-N 0 0 434.539 3.815 50 0 IHAARN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2nnc(C)s2)cc1=O ZINC000010254738 569154181 /nfs/dbraw/zinc/15/41/81/569154181.db2.gz PNQVYKUMXILUBH-UHFFFAOYSA-N 0 0 430.555 3.565 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(OC)c1 ZINC000010499954 569154731 /nfs/dbraw/zinc/15/47/31/569154731.db2.gz DKJKBKATZAQAGF-UHFFFAOYSA-N 0 0 425.510 3.916 50 0 IHAARN Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1 ZINC000013579209 569156137 /nfs/dbraw/zinc/15/61/37/569156137.db2.gz BAHZPKUQSWISRC-UHFFFAOYSA-N 0 0 427.844 3.613 50 0 IHAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 ZINC000013654175 569156460 /nfs/dbraw/zinc/15/64/60/569156460.db2.gz PZXDCTZZJIZVBS-UHFFFAOYSA-N 0 0 426.519 3.706 50 0 IHAARN O=C(COc1cccc(Cl)c1)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801857 569157190 /nfs/dbraw/zinc/15/71/90/569157190.db2.gz CPMDRUQXTGRXGA-UHFFFAOYSA-N 0 0 432.307 3.802 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)N1CCc2ccccc2C1 ZINC000014147371 569157955 /nfs/dbraw/zinc/15/79/55/569157955.db2.gz NEUQOSQXNPGGEC-KRWDZBQOSA-N 0 0 433.508 3.561 50 0 IHAARN O=C(Nc1ccccc1)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000014207782 569158058 /nfs/dbraw/zinc/15/80/58/569158058.db2.gz DVGRLIQBGYMBHW-UHFFFAOYSA-N 0 0 428.341 3.968 50 0 IHAARN O=C(Nc1ccccc1)N1CCC(NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000014207771 569158066 /nfs/dbraw/zinc/15/80/66/569158066.db2.gz FFQQQKQTZQZCCV-UHFFFAOYSA-N 0 0 428.341 3.968 50 0 IHAARN Cc1cc(NC(=O)N[C@@H](C)Cn2cncn2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000089594273 569159697 /nfs/dbraw/zinc/15/96/97/569159697.db2.gz IGLFXQCGKZJYET-NSHDSACASA-N 0 0 427.818 3.655 50 0 IHAARN Cc1csc(CC(=O)N2CCN(CC(=O)N(c3ccccc3)C3CCCCC3)CC2)n1 ZINC000089705484 569161938 /nfs/dbraw/zinc/16/19/38/569161938.db2.gz HBRHOCMUZMQXQE-UHFFFAOYSA-N 0 0 440.613 3.504 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1Cl ZINC000089782776 569162972 /nfs/dbraw/zinc/16/29/72/569162972.db2.gz WMNSXNNZPXWOON-QGZVFWFLSA-N 0 0 436.737 3.977 50 0 IHAARN O=C(Cc1ccc(-n2cnnn2)cc1)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000089783475 569162994 /nfs/dbraw/zinc/16/29/94/569162994.db2.gz RINNRQABQQQNQA-UHFFFAOYSA-N 0 0 449.559 3.686 50 0 IHAARN Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000016840334 569163096 /nfs/dbraw/zinc/16/30/96/569163096.db2.gz KSADQHDAIVODSV-UHFFFAOYSA-N 0 0 432.455 3.638 50 0 IHAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4Cl)no3)ccn2n1 ZINC000016842007 569163337 /nfs/dbraw/zinc/16/33/37/569163337.db2.gz LJOCQLYPTZPMNV-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C)c5)no4)ccn3n2)cc1 ZINC000016842031 569163379 /nfs/dbraw/zinc/16/33/79/569163379.db2.gz LRQSWUWDZLKMJF-UHFFFAOYSA-N 0 0 427.464 3.968 50 0 IHAARN COc1cc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc(OC)c1 ZINC000016842239 569163475 /nfs/dbraw/zinc/16/34/75/569163475.db2.gz ZYMSPNUPYIGCPI-UHFFFAOYSA-N 0 0 427.457 3.715 50 0 IHAARN COc1ccc(CCNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)cc1OC ZINC000016843377 569163618 /nfs/dbraw/zinc/16/36/18/569163618.db2.gz YLNPYGXTDBSBNO-UHFFFAOYSA-N 0 0 447.944 3.776 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(C)c1 ZINC000016843636 569163650 /nfs/dbraw/zinc/16/36/50/569163650.db2.gz XPGGFYDFAYUMIX-UHFFFAOYSA-N 0 0 425.558 3.880 50 0 IHAARN COC(=O)c1cc(-c2ccco2)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850660 569164746 /nfs/dbraw/zinc/16/47/46/569164746.db2.gz GYPASJQUZNYVQK-LBPRGKRZSA-N 0 0 443.506 3.566 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000089813173 569165133 /nfs/dbraw/zinc/16/51/33/569165133.db2.gz YCUDBASFMNYUET-QFIPXVFZSA-N 0 0 446.544 3.554 50 0 IHAARN O=C(CCNC(=O)Cc1ccccc1)NC1(c2nc(-c3cccs3)no2)CCCCC1 ZINC000089828184 569165375 /nfs/dbraw/zinc/16/53/75/569165375.db2.gz BEKPAWARPREVIY-UHFFFAOYSA-N 0 0 438.553 3.823 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000016913818 569165868 /nfs/dbraw/zinc/16/58/68/569165868.db2.gz DHNLVDMRLYJCNF-UHFFFAOYSA-N 0 0 440.344 3.561 50 0 IHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccc(N2CCOCC2)cc1 ZINC000089866558 569166361 /nfs/dbraw/zinc/16/63/61/569166361.db2.gz JSOKDLYEXRIKCO-UHFFFAOYSA-N 0 0 445.519 3.746 50 0 IHAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014694369 569166593 /nfs/dbraw/zinc/16/65/93/569166593.db2.gz GDZFWAGNFULCIX-UHFFFAOYSA-N 0 0 440.496 3.765 50 0 IHAARN CC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccccc1 ZINC000089947866 569168559 /nfs/dbraw/zinc/16/85/59/569168559.db2.gz IETCMJLRSHRBQN-NNIWKIFQSA-N 0 0 438.505 3.762 50 0 IHAARN CCOC(=O)c1sc2ncnc(N(Cc3ccccc3)CC3(O)CCOCC3)c2c1C ZINC000089984792 569169999 /nfs/dbraw/zinc/16/99/99/569169999.db2.gz QZJUCRWEYQFITI-UHFFFAOYSA-N 0 0 441.553 3.725 50 0 IHAARN CCOC(=O)CN(Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1cccc(Br)c1 ZINC000089983742 569170003 /nfs/dbraw/zinc/17/00/03/569170003.db2.gz GPVFIWPMPRJNLL-HNNXBMFYSA-N 0 0 444.329 3.583 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C ZINC000017011337 569170345 /nfs/dbraw/zinc/17/03/45/569170345.db2.gz ZGZAGCLKFRVWSM-UHFFFAOYSA-N 0 0 427.530 3.712 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c(C)c1 ZINC000017025783 569170934 /nfs/dbraw/zinc/17/09/34/569170934.db2.gz KUTGQRSZVCDPMI-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000008984308 569174736 /nfs/dbraw/zinc/17/47/36/569174736.db2.gz NBMDXVAGKVLLMO-ODLFYWEKSA-N 0 0 427.478 3.792 50 0 IHAARN O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)c1ccc(Cl)cc1 ZINC000017155823 569175170 /nfs/dbraw/zinc/17/51/70/569175170.db2.gz CZNXEJTYROZKQF-UHFFFAOYSA-N 0 0 446.334 3.763 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1Cl ZINC000001051412 569176436 /nfs/dbraw/zinc/17/64/36/569176436.db2.gz YLKBHDQWKQTIPW-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001079503 569176707 /nfs/dbraw/zinc/17/67/07/569176707.db2.gz OCNJZTHUJHRVMX-CYBMUJFWSA-N 0 0 426.897 3.527 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002823416 569177444 /nfs/dbraw/zinc/17/74/44/569177444.db2.gz RZQNTNDNJPVFLW-GHRIWEEISA-N 0 0 439.445 3.791 50 0 IHAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N12 ZINC000002117263 569182421 /nfs/dbraw/zinc/18/24/21/569182421.db2.gz UVPHCLCNFXTFMC-SQJMNOBHSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN COc1cc(-c2nc(C(=O)N3CCOCC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000002125707 569184061 /nfs/dbraw/zinc/18/40/61/569184061.db2.gz YKOHZNSXVIXJAR-UHFFFAOYSA-N 0 0 447.491 3.881 50 0 biogenic IHAARN COc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2NS(C)(=O)=O)C1 ZINC000252503534 569188115 /nfs/dbraw/zinc/18/81/15/569188115.db2.gz VESKGZDOYHDQKM-LJQANCHMSA-N 0 0 439.493 3.651 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3Cc4ccccc43)ccc2Cl)C1 ZINC000252515585 569189128 /nfs/dbraw/zinc/18/91/28/569189128.db2.gz LYIOOPDGRUXPSP-CRAIPNDOSA-N 0 0 432.973 3.830 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(OC(F)(F)Cl)cc1)C(F)(F)F ZINC000002192044 569190563 /nfs/dbraw/zinc/19/05/63/569190563.db2.gz ZUAIOGAODNMFMT-CQSZACIVSA-N 0 0 442.724 3.721 50 0 IHAARN COc1ccccc1-n1c(C[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n[nH]c1=O ZINC000252570783 569191010 /nfs/dbraw/zinc/19/10/10/569191010.db2.gz XECXZYIKWZTCSJ-HNNXBMFYSA-N 0 0 441.919 3.709 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1Cl ZINC000037399102 569194317 /nfs/dbraw/zinc/19/43/17/569194317.db2.gz ZESDMSFLZZQZMF-UHFFFAOYSA-N 0 0 437.858 3.892 50 0 IHAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)[C@H](C)CC ZINC000037399903 569194852 /nfs/dbraw/zinc/19/48/52/569194852.db2.gz PYMFCSGLEVVSFC-MRXNPFEDSA-N 0 0 447.557 3.743 50 0 IHAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000037424443 569195593 /nfs/dbraw/zinc/19/55/93/569195593.db2.gz ARLXUJJJQBBTMK-LJQANCHMSA-N 0 0 432.565 3.552 50 0 IHAARN CC[C@H](C(=O)N[C@@H](C)CC)n1c2ccccc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000037423626 569195674 /nfs/dbraw/zinc/19/56/74/569195674.db2.gz FEPJUGSIKQTTBJ-SCLBCKFNSA-N 0 0 431.895 3.811 50 0 IHAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426323 569195830 /nfs/dbraw/zinc/19/58/30/569195830.db2.gz KYZNNTCPEHBOHK-LSDHHAIUSA-N 0 0 448.976 3.688 50 0 IHAARN O=C(Nc1cccc(Cl)c1)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1 ZINC000037526369 569199100 /nfs/dbraw/zinc/19/91/00/569199100.db2.gz XMRVAOQTAYFYRT-UHFFFAOYSA-N 0 0 442.947 3.603 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(CN2C(=O)C[C@H](c3ccc(F)cc3)NC2=O)c1 ZINC000037553960 569200382 /nfs/dbraw/zinc/20/03/82/569200382.db2.gz YHGZTOUOZMUGOU-JOCHJYFZSA-N 0 0 431.467 3.939 50 0 IHAARN O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC1 ZINC000037554499 569200558 /nfs/dbraw/zinc/20/05/58/569200558.db2.gz JJNYLGLJKIFNHT-UHFFFAOYSA-N 0 0 439.479 3.892 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000002213294 569202124 /nfs/dbraw/zinc/20/21/24/569202124.db2.gz FGGLQYAWWCKOCA-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602819 569202513 /nfs/dbraw/zinc/20/25/13/569202513.db2.gz ZGKQKQMIWCQJSY-GJZUVCINSA-N 0 0 436.552 3.553 50 0 IHAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N1CCOCC1 ZINC000037603058 569202544 /nfs/dbraw/zinc/20/25/44/569202544.db2.gz ODFVENRMSWZRPU-RPBOFIJWSA-N 0 0 448.563 3.587 50 0 IHAARN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)cc1 ZINC000037611225 569203014 /nfs/dbraw/zinc/20/30/14/569203014.db2.gz KXIFEPHQDNFGRQ-OAQYLSRUSA-N 0 0 446.551 3.578 50 0 IHAARN CCCCOc1ccc(C(=O)NOCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000007783568 569203163 /nfs/dbraw/zinc/20/31/63/569203163.db2.gz XTXRMXBKUCICCI-HXUWFJFHSA-N 0 0 426.513 3.729 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000002216017 569203518 /nfs/dbraw/zinc/20/35/18/569203518.db2.gz DWVUYDLNFHGLKI-CMOCDZPBSA-N 0 0 430.504 3.700 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000252671398 569210073 /nfs/dbraw/zinc/21/00/73/569210073.db2.gz NIXBYPLLRWVKOV-JOCHJYFZSA-N 0 0 432.545 3.532 50 0 IHAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002231768 569210698 /nfs/dbraw/zinc/21/06/98/569210698.db2.gz UPLKQIXODFYQPU-MSOLQXFVSA-N 0 0 437.887 3.740 50 0 IHAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 ZINC000003170650 569211321 /nfs/dbraw/zinc/21/13/21/569211321.db2.gz SGMIIWTUAZIHMY-UHFFFAOYSA-N 0 0 444.940 3.731 50 0 IHAARN COc1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000003013017 569213093 /nfs/dbraw/zinc/21/30/93/569213093.db2.gz YFYCQDYTLSIZOG-UHFFFAOYSA-N 0 0 444.538 3.726 50 0 IHAARN COC(=O)[C@@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F ZINC000002262217 569215965 /nfs/dbraw/zinc/21/59/65/569215965.db2.gz LAQMMBVEQNCROF-QGZVFWFLSA-N 0 0 425.388 3.928 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000141647119 569258954 /nfs/dbraw/zinc/25/89/54/569258954.db2.gz OXYQSKGJXKRNST-JTDSTZFVSA-N 0 0 442.821 3.843 50 0 IHAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253394764 569264575 /nfs/dbraw/zinc/26/45/75/569264575.db2.gz AFZHRHRWBRBYAY-LJQANCHMSA-N 0 0 443.455 3.652 50 0 biogenic IHAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000253420297 569266749 /nfs/dbraw/zinc/26/67/49/569266749.db2.gz VZDRZFSNKGDGFU-IYARVYRRSA-N 0 0 449.567 3.723 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)c1csc(Cl)n1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000253425876 569267255 /nfs/dbraw/zinc/26/72/55/569267255.db2.gz FFRPVZHAIARGHR-INIZCTEOSA-N 0 0 436.896 3.772 50 0 IHAARN O=C(CN1CCN(c2ncc(Cl)cn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000253431134 569268500 /nfs/dbraw/zinc/26/85/00/569268500.db2.gz QHVWTQCASTWFLI-UHFFFAOYSA-N 0 0 434.249 3.563 50 0 IHAARN COCCCCN(C(=O)[C@@H](C)OC[C@@H]1CCCCO1)c1ccc(Br)cn1 ZINC000253430878 569268530 /nfs/dbraw/zinc/26/85/30/569268530.db2.gz XWSVILGBEVRMLN-WBVHZDCISA-N 0 0 429.355 3.578 50 0 IHAARN Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)nc(C(C)C)n1 ZINC000027545592 569271291 /nfs/dbraw/zinc/27/12/91/569271291.db2.gz JCBLAXBSFHCNQX-FQEVSTJZSA-N 0 0 435.616 3.787 50 0 IHAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21 ZINC000002314302 569272283 /nfs/dbraw/zinc/27/22/83/569272283.db2.gz JPWDMDGJLUFAQN-UHFFFAOYSA-N 0 0 433.512 3.711 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1OC ZINC000002316294 569272452 /nfs/dbraw/zinc/27/24/52/569272452.db2.gz OLYDXUAYUBVECQ-UHFFFAOYSA-N 0 0 447.582 3.650 50 0 IHAARN CN(C)C(=O)[C@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000027566724 569272833 /nfs/dbraw/zinc/27/28/33/569272833.db2.gz FUPIHVNYRVTANJ-OJNXCIKNSA-N 0 0 441.591 3.676 50 0 IHAARN O=C(/C=C/c1ccccc1)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1 ZINC000002338824 569274961 /nfs/dbraw/zinc/27/49/61/569274961.db2.gz WTJKAROLGNJPMA-FOCLMDBBSA-N 0 0 435.443 3.720 50 0 IHAARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 ZINC000253499946 569283414 /nfs/dbraw/zinc/28/34/14/569283414.db2.gz RUQBPCMPFRJFIH-OCWLEOMPSA-N 0 0 432.557 3.698 50 0 biogenic IHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002364305 569287955 /nfs/dbraw/zinc/28/79/55/569287955.db2.gz KEYIMXNZZVMIPT-UHFFFAOYSA-N 0 0 441.487 3.678 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000002394011 569298050 /nfs/dbraw/zinc/29/80/50/569298050.db2.gz ZKFSIWABHVUHPA-UHFFFAOYSA-N 0 0 433.512 3.949 50 0 IHAARN O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000009829202 569298122 /nfs/dbraw/zinc/29/81/22/569298122.db2.gz HBCLRSOXJPBCLU-UHFFFAOYSA-N 0 0 437.378 3.750 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 ZINC000002431447 569303301 /nfs/dbraw/zinc/30/33/01/569303301.db2.gz KOBUFEKEZOUFMN-DOMZBBRYSA-N 0 0 427.498 3.795 50 0 IHAARN COC(=O)C(C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1ccc(C)cc1C ZINC000002439912 569304041 /nfs/dbraw/zinc/30/40/41/569304041.db2.gz WRXVDLGAJSUFNI-HRAATJIYSA-N 0 0 442.508 3.885 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)N=C(SCc2ccccc2)NC1=O)c1cccc(Cl)c1 ZINC000002439063 569304068 /nfs/dbraw/zinc/30/40/68/569304068.db2.gz HXYUHJCSAULELI-QGZVFWFLSA-N 0 0 427.835 3.748 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)sc2C)cc1 ZINC000012993114 569306086 /nfs/dbraw/zinc/30/60/86/569306086.db2.gz WUZFFWVCLKTOFB-WHEQGISXSA-N 0 0 442.541 3.566 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013032038 569307497 /nfs/dbraw/zinc/30/74/97/569307497.db2.gz QQLMSXXWAPKDAA-UHFFFAOYSA-N 0 0 425.838 3.755 50 0 IHAARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013068320 569308738 /nfs/dbraw/zinc/30/87/38/569308738.db2.gz JWHWLEDZXWALHO-CCNLRRDASA-N 0 0 435.505 3.858 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000013108413 569310159 /nfs/dbraw/zinc/31/01/59/569310159.db2.gz FALOKKHJAJWYHW-KRWDZBQOSA-N 0 0 433.555 3.637 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000013347028 569313100 /nfs/dbraw/zinc/31/31/00/569313100.db2.gz ZAWKMJXMDFUYDC-INIZCTEOSA-N 0 0 441.915 3.677 50 0 IHAARN CCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013352409 569313335 /nfs/dbraw/zinc/31/33/35/569313335.db2.gz ONXUFNTVKYVCJJ-UHFFFAOYSA-N 0 0 427.932 3.971 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000013356123 569313654 /nfs/dbraw/zinc/31/36/54/569313654.db2.gz GECDZPRYTHGCFD-UHFFFAOYSA-N 0 0 437.477 3.811 50 0 IHAARN COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cs1 ZINC000019539317 569321223 /nfs/dbraw/zinc/32/12/23/569321223.db2.gz DBARKTAISVEPLC-UHFFFAOYSA-N 0 0 440.544 3.714 50 0 IHAARN COCCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000079023422 569322691 /nfs/dbraw/zinc/32/26/91/569322691.db2.gz VALPNOKWTMXENM-SFHVURJKSA-N 0 0 447.329 3.777 50 0 IHAARN CO[C@@H](C)c1nc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 ZINC000079053453 569323526 /nfs/dbraw/zinc/32/35/26/569323526.db2.gz HZPDTJDQJSVMKC-AWEZNQCLSA-N 0 0 440.972 3.789 50 0 IHAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1c(=O)c2c(C)cc(C)nc2n(C)c1=O ZINC000019625554 569323770 /nfs/dbraw/zinc/32/37/70/569323770.db2.gz SUDFNZPFNDVEAE-UHFFFAOYSA-N 0 0 434.496 3.511 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2nc(OCC)ccc2Cl)cc(OC)c(OC)c1OC ZINC000079057615 569323784 /nfs/dbraw/zinc/32/37/84/569323784.db2.gz SNMIDNJWOZNEHZ-UHFFFAOYSA-N 0 0 438.864 3.589 50 0 IHAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 ZINC000079074248 569324673 /nfs/dbraw/zinc/32/46/73/569324673.db2.gz ABTYPZBWCWVRPU-OXQOHEQNSA-N 0 0 427.917 3.671 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000079104373 569325747 /nfs/dbraw/zinc/32/57/47/569325747.db2.gz AXUFPWQPBMEAQN-UHFFFAOYSA-N 0 0 447.576 3.813 50 0 IHAARN CC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000079108526 569326039 /nfs/dbraw/zinc/32/60/39/569326039.db2.gz BYLONEAUOHPNPD-IZZNHLLZSA-N 0 0 446.595 3.958 50 0 IHAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cccc3c2n(c1=O)CCC3 ZINC000079193010 569328063 /nfs/dbraw/zinc/32/80/63/569328063.db2.gz SNIIEFSKLMHYCI-WMZHIEFXSA-N 0 0 443.455 3.510 50 0 biogenic IHAARN Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793679 569329442 /nfs/dbraw/zinc/32/94/42/569329442.db2.gz HETSDEMGRJZWSF-UHFFFAOYSA-N 0 0 425.916 3.536 50 0 IHAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2o1 ZINC000019936510 569332140 /nfs/dbraw/zinc/33/21/40/569332140.db2.gz DIBPMKCJZCEXMT-UHFFFAOYSA-N 0 0 426.294 3.960 50 0 IHAARN COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000020069067 569333083 /nfs/dbraw/zinc/33/30/83/569333083.db2.gz CJCAMZYPENSJFL-ROUUACIJSA-N 0 0 443.960 3.510 50 0 IHAARN O=C(c1cc2c(s1)c1ccccc1oc2=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020104800 569334272 /nfs/dbraw/zinc/33/42/72/569334272.db2.gz ANFGRMUZUXMNMF-UHFFFAOYSA-N 0 0 448.500 3.694 50 0 IHAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020108275 569334345 /nfs/dbraw/zinc/33/43/45/569334345.db2.gz USPHTITUESVSAY-LZCXRCMXSA-N 0 0 444.443 3.653 50 0 IHAARN Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3C)c2=O)c1 ZINC000020153124 569353431 /nfs/dbraw/zinc/35/34/31/569353431.db2.gz YYFHVYUHTUCRNR-UHFFFAOYSA-N 0 0 427.504 3.661 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc3c2N1CC3 ZINC000390827429 569353940 /nfs/dbraw/zinc/35/39/40/569353940.db2.gz XPHFUOXEFDMIBW-IBGZPJMESA-N 0 0 430.576 3.713 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831411 569354436 /nfs/dbraw/zinc/35/44/36/569354436.db2.gz RRVHTHPXWSRUBJ-SFHVURJKSA-N 0 0 432.592 3.777 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=O)[C@@H]4COc5ccccc5O4)cc3n2)cc1Cl ZINC000020177034 569354569 /nfs/dbraw/zinc/35/45/69/569354569.db2.gz JBWBRVYOZBHRGJ-NRFANRHFSA-N 0 0 436.855 3.861 50 0 IHAARN COc1ccc(CNC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)Oc3ccccc32)cc1 ZINC000020180809 569355118 /nfs/dbraw/zinc/35/51/18/569355118.db2.gz QACYRUDDOHUNMD-OEAKJJBVSA-N 0 0 432.451 3.917 50 0 IHAARN CCN1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)CC1 ZINC000020181130 569355238 /nfs/dbraw/zinc/35/52/38/569355238.db2.gz VNMKVRYCHJMCBC-RCCKNPSSSA-N 0 0 441.984 3.984 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C[C@@H]1C ZINC000020209112 569356067 /nfs/dbraw/zinc/35/60/67/569356067.db2.gz MGTQYCYSEJETJJ-INIZCTEOSA-N 0 0 447.988 3.539 50 0 IHAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc(NC(C)=O)cc2)CC1 ZINC000020213601 569356416 /nfs/dbraw/zinc/35/64/16/569356416.db2.gz DQTHCOZBTLSJGE-QFIPXVFZSA-N 0 0 436.512 3.832 50 0 IHAARN COc1cccc(-c2nn(C)c3sc(C(=O)NC[C@@H]4COc5ccccc5O4)cc23)c1 ZINC000020233398 569357110 /nfs/dbraw/zinc/35/71/10/569357110.db2.gz MXTNWILUZPBXDL-MRXNPFEDSA-N 0 0 435.505 3.880 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(C)cc1 ZINC000020239814 569357588 /nfs/dbraw/zinc/35/75/88/569357588.db2.gz ACOVJMXWSJLMIO-UHFFFAOYSA-N 0 0 440.569 3.796 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000020326557 569360498 /nfs/dbraw/zinc/36/04/98/569360498.db2.gz LKNBNJCFXKLLPX-UHFFFAOYSA-N 0 0 442.471 3.888 50 0 IHAARN NC(=O)C1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020381654 569362664 /nfs/dbraw/zinc/36/26/64/569362664.db2.gz DWUHVDFEEOIBKJ-UHFFFAOYSA-N 0 0 447.919 3.562 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C ZINC000080345590 569362771 /nfs/dbraw/zinc/36/27/71/569362771.db2.gz VRCDNHUQIVXWHR-CYBMUJFWSA-N 0 0 433.917 3.860 50 0 IHAARN CC[C@@H](C(=O)NCc1cccc(Br)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020386249 569363152 /nfs/dbraw/zinc/36/31/52/569363152.db2.gz OYXKWWZPEVBDNL-HNNXBMFYSA-N 0 0 443.301 3.581 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC(C)(C)O4)CC1 ZINC000020413309 569364209 /nfs/dbraw/zinc/36/42/09/569364209.db2.gz FNPQQKPKKIPOMH-OAHLLOKOSA-N 0 0 430.501 3.686 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1 ZINC000020414674 569364305 /nfs/dbraw/zinc/36/43/05/569364305.db2.gz FDTHMKWHDGONSY-UHFFFAOYSA-N 0 0 437.584 3.974 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@](C)(O)[C@@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000095407053 569364735 /nfs/dbraw/zinc/36/47/35/569364735.db2.gz PXYJHCBYBUCPGB-IZHWHUGBSA-N 0 0 439.464 3.959 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095454151 569368236 /nfs/dbraw/zinc/36/82/36/569368236.db2.gz LOXKOBIOQGWFER-REWPJTCUSA-N 0 0 428.916 3.790 50 0 IHAARN COC(=O)Cn1nc(C)c(CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1C ZINC000095455248 569368527 /nfs/dbraw/zinc/36/85/27/569368527.db2.gz VREZNCVLDRWKFQ-UHFFFAOYSA-N 0 0 448.552 3.840 50 0 IHAARN O=C(CCCOc1cccc(Cl)c1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000095461553 569369898 /nfs/dbraw/zinc/36/98/98/569369898.db2.gz MKQDHTRYQYUKIT-UHFFFAOYSA-N 0 0 426.344 3.747 50 0 IHAARN COc1cc2ncn(CCCC(=O)O[C@H](C)c3nc4ccccc4o3)c(=O)c2cc1OC ZINC000095462441 569370150 /nfs/dbraw/zinc/37/01/50/569370150.db2.gz FDXYABYHEHJZRU-CQSZACIVSA-N 0 0 437.452 3.640 50 0 IHAARN CC(C)[C@H](O)C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000095463274 569370234 /nfs/dbraw/zinc/37/02/34/569370234.db2.gz OZLLYWAZUMVJOK-YJBOKZPZSA-N 0 0 427.372 3.759 50 0 IHAARN COc1ccc([C@@H](NC(=O)CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 ZINC000095466603 569370887 /nfs/dbraw/zinc/37/08/87/569370887.db2.gz ULWVTNJUGLLVNK-FCHUYYIVSA-N 0 0 437.544 3.940 50 0 IHAARN COc1cc(CN2CCc3cccc(C)c32)cc(Br)c1OCC(=O)N(C)C ZINC000095468660 569371433 /nfs/dbraw/zinc/37/14/33/569371433.db2.gz QBBFWAGZCOXZCZ-UHFFFAOYSA-N 0 0 433.346 3.796 50 0 IHAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000095473352 569372371 /nfs/dbraw/zinc/37/23/71/569372371.db2.gz VYCWZONODUPBET-INIZCTEOSA-N 0 0 443.338 3.994 50 0 IHAARN Cn1ccc2c1cccc2NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095475407 569372730 /nfs/dbraw/zinc/37/27/30/569372730.db2.gz OPWCYBZGWXLJCS-UHFFFAOYSA-N 0 0 431.945 3.871 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)cc1OC ZINC000095476172 569372876 /nfs/dbraw/zinc/37/28/76/569372876.db2.gz ODQHLYOVNFRIEB-UHFFFAOYSA-N 0 0 427.526 3.968 50 0 IHAARN COc1ccc([C@H]2[C@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478410 569373553 /nfs/dbraw/zinc/37/35/53/569373553.db2.gz OYZDWPYZUCVBHO-RPWUZVMVSA-N 0 0 428.488 3.605 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2c3ccccc3sc2=O)cc1 ZINC000095481773 569374155 /nfs/dbraw/zinc/37/41/55/569374155.db2.gz BDQMSFDIPHKFHY-UHFFFAOYSA-N 0 0 447.582 3.512 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@H](c2ccc(F)cc2)CN1C ZINC000095482632 569374504 /nfs/dbraw/zinc/37/45/04/569374504.db2.gz BSHKNDBQZWNVTK-QRJOEMBSSA-N 0 0 431.467 3.605 50 0 IHAARN CSCC[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1nnc2ccccn21 ZINC000095941208 569375462 /nfs/dbraw/zinc/37/54/62/569375462.db2.gz JRFNSYHDYHZPEB-KRWDZBQOSA-N 0 0 435.956 3.564 50 0 IHAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)cc1 ZINC000095942647 569375565 /nfs/dbraw/zinc/37/55/65/569375565.db2.gz YIUSZPFMDDXXTO-UHFFFAOYSA-N 0 0 431.924 3.677 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 ZINC000095954692 569376821 /nfs/dbraw/zinc/37/68/21/569376821.db2.gz JOHLZYKALAIIIT-UHFFFAOYSA-N 0 0 434.540 3.585 50 0 IHAARN COc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@@H](c2ccccc2)C1 ZINC000095971343 569377499 /nfs/dbraw/zinc/37/74/99/569377499.db2.gz JUIAFSQAENKTHE-PKTZIBPZSA-N 0 0 432.524 3.641 50 0 IHAARN COc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@H](c2ccccc2)C1 ZINC000095971342 569377514 /nfs/dbraw/zinc/37/75/14/569377514.db2.gz JUIAFSQAENKTHE-GOTSBHOMSA-N 0 0 432.524 3.641 50 0 IHAARN O=C(NCc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1)c1cccs1 ZINC000095992804 569378343 /nfs/dbraw/zinc/37/83/43/569378343.db2.gz IAEYHOCYAHNEJZ-GOSISDBHSA-N 0 0 432.904 3.934 50 0 IHAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCO[C@H](C(C)C)C3)nc2n1 ZINC000095994534 569378493 /nfs/dbraw/zinc/37/84/93/569378493.db2.gz CJFRYEWZWXKQLQ-IBGZPJMESA-N 0 0 425.558 3.530 50 0 IHAARN COc1cccc([C@H](C)CC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000095998352 569379037 /nfs/dbraw/zinc/37/90/37/569379037.db2.gz RCMHMQNDLPYSSU-HYBUGGRVSA-N 0 0 435.568 3.529 50 0 IHAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)CCOc3ccccc3)cc2C1 ZINC000096025703 569380837 /nfs/dbraw/zinc/38/08/37/569380837.db2.gz WECHIYSKUGMGCH-UHFFFAOYSA-N 0 0 442.562 3.767 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096934 569381314 /nfs/dbraw/zinc/38/13/14/569381314.db2.gz FWUITPTXXZRVFJ-UHFFFAOYSA-N 0 0 441.123 3.685 50 0 IHAARN O=C(c1cccc(Br)c1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103488 569382056 /nfs/dbraw/zinc/38/20/56/569382056.db2.gz YDVZYODPOQGKRS-INIZCTEOSA-N 0 0 428.735 3.791 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000096105305 569382315 /nfs/dbraw/zinc/38/23/15/569382315.db2.gz UTHNVUQHULAHOL-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cc(F)c(F)c(F)c2)CCO1 ZINC000096116740 569383936 /nfs/dbraw/zinc/38/39/36/569383936.db2.gz IOSIRUUPLUAGQV-MGPLVRAMSA-N 0 0 427.448 3.911 50 0 IHAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2F)CCO1 ZINC000096118398 569384484 /nfs/dbraw/zinc/38/44/84/569384484.db2.gz CFSIYHGGBLPFTN-ABKXIKBNSA-N 0 0 427.448 3.911 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](Cc3nc4cccnc4n3CC(C)C)C2)cc1 ZINC000096125018 569385651 /nfs/dbraw/zinc/38/56/51/569385651.db2.gz IMWRDKLEZOKKPR-SFHVURJKSA-N 0 0 442.585 3.739 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(CN(Cc1ccc3c(c1)OCO3)C1CCCC1)[nH]c2=O ZINC000096128257 569385783 /nfs/dbraw/zinc/38/57/83/569385783.db2.gz SACYFFVKYNZPDP-UHFFFAOYSA-N 0 0 435.480 3.796 50 0 IHAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCC(=O)N1CCCc2ccccc21 ZINC000096191237 569386178 /nfs/dbraw/zinc/38/61/78/569386178.db2.gz GEBKKUFCRGTMKU-DEDYPNTBSA-N 0 0 438.505 3.767 50 0 IHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccc3c(c2)OCO3)COC12CCCCC2 ZINC000096274299 569388137 /nfs/dbraw/zinc/38/81/37/569388137.db2.gz MTJAPWGZDIIYPO-HXUWFJFHSA-N 0 0 436.508 3.542 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1C[C@H]2CSCN2[C@]12c1ccccc1N(CC)C2=O ZINC000096269430 569388161 /nfs/dbraw/zinc/38/81/61/569388161.db2.gz DCHGEZVGGQIRPO-READRUSDSA-N 0 0 437.565 3.681 50 0 biogenic IHAARN CCCn1c(C(=O)NCCOC)cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096278811 569389185 /nfs/dbraw/zinc/38/91/85/569389185.db2.gz OHHUUAVVXCVGDJ-UHFFFAOYSA-N 0 0 449.960 3.882 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(C)=O ZINC000096279555 569389437 /nfs/dbraw/zinc/38/94/37/569389437.db2.gz KJZWZASTEMIBGX-OAQYLSRUSA-N 0 0 431.895 3.652 50 0 IHAARN Cc1cc([C@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)C2CC2)ccc1F ZINC000096281564 569389911 /nfs/dbraw/zinc/38/99/11/569389911.db2.gz JTFXIYHBZLDUJM-TZIWHRDSSA-N 0 0 438.499 3.869 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccc(I)o1)c1ccccc1 ZINC000096297736 569391886 /nfs/dbraw/zinc/39/18/86/569391886.db2.gz CJLQJTGTZQDTGQ-PXAMLJHWSA-N 0 0 433.249 3.537 50 0 IHAARN O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000096298179 569392061 /nfs/dbraw/zinc/39/20/61/569392061.db2.gz COKFQRANTHCKLZ-WAPJZHGLSA-N 0 0 449.820 3.708 50 0 IHAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317355 569393372 /nfs/dbraw/zinc/39/33/72/569393372.db2.gz DGNUOTWPXWHROP-UHFFFAOYSA-N 0 0 431.943 3.849 50 0 IHAARN CCCCN(CC)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000096324002 569395633 /nfs/dbraw/zinc/39/56/33/569395633.db2.gz MVTZBULBHFTNQR-UHFFFAOYSA-N 0 0 444.557 3.623 50 0 IHAARN CCOc1ccc(C(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)[C@@H](C)CC)cc1OCC ZINC000096332514 569396532 /nfs/dbraw/zinc/39/65/32/569396532.db2.gz CRBRHSICJXGLQK-BTYIYWSLSA-N 0 0 438.528 3.565 50 0 IHAARN C[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096355838 569397447 /nfs/dbraw/zinc/39/74/47/569397447.db2.gz PFHFJRFYRSOLCC-CQSZACIVSA-N 0 0 447.926 3.943 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2c3cccnc3n(C3CCCCC3)c2=O)cc1OC ZINC000096385917 569398312 /nfs/dbraw/zinc/39/83/12/569398312.db2.gz CFZMTEQUSXAVHL-MRXNPFEDSA-N 0 0 438.528 3.598 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1OC ZINC000096386917 569398716 /nfs/dbraw/zinc/39/87/16/569398716.db2.gz KOPBDZWOMYBKAA-FQEVSTJZSA-N 0 0 431.492 3.815 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)c(OC)c1 ZINC000096387050 569398731 /nfs/dbraw/zinc/39/87/31/569398731.db2.gz IEJDFFIKLZEMIF-OAQYLSRUSA-N 0 0 431.492 3.815 50 0 IHAARN CO[C@@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000096393185 569399015 /nfs/dbraw/zinc/39/90/15/569399015.db2.gz 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CC1=C(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)C2(CCCCCC2)OC1=O ZINC000057996147 569444386 /nfs/dbraw/zinc/44/43/86/569444386.db2.gz DYFGNWBOOSNGGU-UHFFFAOYSA-N 0 0 439.600 3.508 50 0 biogenic IHAARN CCOc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)O2)cc1OCC ZINC000003291606 569444407 /nfs/dbraw/zinc/44/44/07/569444407.db2.gz HNBNREFNKPIECJ-FOWTUZBSSA-N 0 0 427.453 3.854 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccccc3Br)ccc12 ZINC000003297032 569444827 /nfs/dbraw/zinc/44/48/27/569444827.db2.gz FNRQCNMZRBSIIX-UHFFFAOYSA-N 0 0 431.238 3.669 50 0 IHAARN CCOC(=O)CCCNC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000003308668 569445366 /nfs/dbraw/zinc/44/53/66/569445366.db2.gz HBYWOKRDDMUGPX-UHFFFAOYSA-N 0 0 431.992 3.868 50 0 IHAARN Nn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(OC(F)F)cc1 ZINC000003315423 569445674 /nfs/dbraw/zinc/44/56/74/569445674.db2.gz PJVNERFJRXWUKN-QGZVFWFLSA-N 0 0 445.495 3.546 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2c1 ZINC000003322364 569446029 /nfs/dbraw/zinc/44/60/29/569446029.db2.gz BOKTUQDNUHXLGI-HNNXBMFYSA-N 0 0 432.523 3.510 50 0 IHAARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000003337947 569446724 /nfs/dbraw/zinc/44/67/24/569446724.db2.gz FPTFRNJGRSLHHX-UHFFFAOYSA-N 0 0 449.463 3.537 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c(C)n1Cc1cccs1 ZINC000003342116 569446917 /nfs/dbraw/zinc/44/69/17/569446917.db2.gz LNPARMFAKAUOQY-VWLOTQADSA-N 0 0 447.560 3.877 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccco2)cc1 ZINC000003343419 569447017 /nfs/dbraw/zinc/44/70/17/569447017.db2.gz VSQJMTCHFBRIMU-UHFFFAOYSA-N 0 0 434.901 3.771 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(SC(F)F)cc2)n1N ZINC000003368336 569448246 /nfs/dbraw/zinc/44/82/46/569448246.db2.gz ZEWNMIMQQYDENC-UHFFFAOYSA-N 0 0 437.497 3.713 50 0 IHAARN CCN(c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1)C(C)C ZINC000003373016 569448542 /nfs/dbraw/zinc/44/85/42/569448542.db2.gz VKZLGNWQAPPPFG-UHFFFAOYSA-N 0 0 440.573 3.633 50 0 IHAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccccc1I ZINC000030809830 569448795 /nfs/dbraw/zinc/44/87/95/569448795.db2.gz NVTONBAXUARAFP-UHFFFAOYSA-N 0 0 425.251 3.974 50 0 IHAARN C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000058157524 569449017 /nfs/dbraw/zinc/44/90/17/569449017.db2.gz KSSFCOAELBPWSV-NSHDSACASA-N 0 0 432.286 3.520 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000003398834 569449541 /nfs/dbraw/zinc/44/95/41/569449541.db2.gz LWYCEQPVFRQROI-IBGZPJMESA-N 0 0 441.578 3.834 50 0 IHAARN COc1cc(C(=O)OCC(=O)N2CCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000003418523 569450320 /nfs/dbraw/zinc/45/03/20/569450320.db2.gz MTJZQEOOUUWJGH-UHFFFAOYSA-N 0 0 436.464 3.625 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cccs3)o2)c1 ZINC000003427740 569450591 /nfs/dbraw/zinc/45/05/91/569450591.db2.gz SMWPURCNXRYOQV-UHFFFAOYSA-N 0 0 437.568 3.804 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1ccc(Cl)cn1 ZINC000003429725 569450792 /nfs/dbraw/zinc/45/07/92/569450792.db2.gz JVKCGYGRMIHILM-CYBMUJFWSA-N 0 0 435.962 3.965 50 0 IHAARN O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003435768 569451028 /nfs/dbraw/zinc/45/10/28/569451028.db2.gz NMYCFEIOYXHHGJ-UHFFFAOYSA-N 0 0 430.913 3.766 50 0 IHAARN COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003448590 569451482 /nfs/dbraw/zinc/45/14/82/569451482.db2.gz INNXFZYXOJWJBF-UHFFFAOYSA-N 0 0 429.826 3.876 50 0 IHAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003468936 569452029 /nfs/dbraw/zinc/45/20/29/569452029.db2.gz NCXWIIXQUWTDKD-KRWDZBQOSA-N 0 0 427.460 3.878 50 0 IHAARN COCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C ZINC000003484164 569452395 /nfs/dbraw/zinc/45/23/95/569452395.db2.gz MRVAWULHFDQGHG-UHFFFAOYSA-N 0 0 440.569 3.921 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000003515640 569453086 /nfs/dbraw/zinc/45/30/86/569453086.db2.gz XTDWCIINKHIYCA-UHFFFAOYSA-N 0 0 446.941 3.949 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000003519344 569453144 /nfs/dbraw/zinc/45/31/44/569453144.db2.gz CEUPEPLFCFCJLC-NVQXNPDNSA-N 0 0 427.504 3.801 50 0 IHAARN CC(C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000003522522 569453266 /nfs/dbraw/zinc/45/32/66/569453266.db2.gz FYPFPEYZOLDBTN-CQSZACIVSA-N 0 0 425.510 3.503 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2)ccc1F ZINC000003530377 569453450 /nfs/dbraw/zinc/45/34/50/569453450.db2.gz ZMDKGGXAMNAGRY-UHFFFAOYSA-N 0 0 427.881 3.549 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000003549513 569453713 /nfs/dbraw/zinc/45/37/13/569453713.db2.gz DQFIBFHXBIDODR-UHFFFAOYSA-N 0 0 428.432 3.751 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)NC2CC2)sc2c3CCC2)cc1 ZINC000003562644 569454065 /nfs/dbraw/zinc/45/40/65/569454065.db2.gz FKVFUEKNZQBMRE-UHFFFAOYSA-N 0 0 441.578 3.705 50 0 IHAARN CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000003595146 569454678 /nfs/dbraw/zinc/45/46/78/569454678.db2.gz YXTHGYMFCOUBLI-FQEVSTJZSA-N 0 0 436.295 3.798 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000003600740 569454867 /nfs/dbraw/zinc/45/48/67/569454867.db2.gz RMYLLTZCCPDEJN-HHHXNRCGSA-N 0 0 439.515 3.676 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)CC2 ZINC000031239347 569455076 /nfs/dbraw/zinc/45/50/76/569455076.db2.gz WBIJULWLJZQMJG-LJQANCHMSA-N 0 0 432.929 3.745 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000003630395 569455317 /nfs/dbraw/zinc/45/53/17/569455317.db2.gz JMOXIYBSAKHBIM-UHFFFAOYSA-N 0 0 431.473 3.707 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)cc1 ZINC000003632003 569455356 /nfs/dbraw/zinc/45/53/56/569455356.db2.gz HIXUASPBYAMWMF-UHFFFAOYSA-N 0 0 435.480 3.752 50 0 IHAARN CCCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1 ZINC000031370226 569456180 /nfs/dbraw/zinc/45/61/80/569456180.db2.gz HFMVENVRGGYSGB-UHFFFAOYSA-N 0 0 445.585 3.639 50 0 IHAARN Cc1ccc(OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(Br)c1 ZINC000031493845 569456530 /nfs/dbraw/zinc/45/65/30/569456530.db2.gz NNCYKGFMPLPNEF-UHFFFAOYSA-N 0 0 447.377 3.707 50 0 IHAARN Cc1c(C(=O)N2CCC[C@H]2c2nnc3ccccn32)sc2nc3n(c(=O)c12)CCCCC3 ZINC000031505668 569456595 /nfs/dbraw/zinc/45/65/95/569456595.db2.gz RSGWPGOBKOUKGP-HNNXBMFYSA-N 0 0 448.552 3.513 50 0 IHAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000031557917 569456761 /nfs/dbraw/zinc/45/67/61/569456761.db2.gz JQCDEXZFPUPCCW-QHCPKHFHSA-N 0 0 441.547 3.861 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1C ZINC000031562267 569456792 /nfs/dbraw/zinc/45/67/92/569456792.db2.gz QKZKLBWLIZLJLU-QGZVFWFLSA-N 0 0 435.528 3.712 50 0 IHAARN Cc1ccc(-c2nnc(COc3ccc(CCO)cc3-n3nc4ccccc4n3)o2)cc1 ZINC000031609427 569456896 /nfs/dbraw/zinc/45/68/96/569456896.db2.gz OXEUIONWCZJACF-UHFFFAOYSA-N 0 0 427.464 3.893 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000031778220 569457375 /nfs/dbraw/zinc/45/73/75/569457375.db2.gz BOVBSZIAOYBSFN-HSZRJFAPSA-N 0 0 439.943 3.812 50 0 IHAARN O=C(Cn1cnc2ccsc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000031788300 569457406 /nfs/dbraw/zinc/45/74/06/569457406.db2.gz YUVKELWPNSVZLT-UHFFFAOYSA-N 0 0 427.489 3.949 50 0 IHAARN Cc1ccccc1-c1noc(CN2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)n1 ZINC000031784110 569457422 /nfs/dbraw/zinc/45/74/22/569457422.db2.gz HXKAYDORIJKOTF-UHFFFAOYSA-N 0 0 447.568 3.741 50 0 IHAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4cc(C)c5ccccc5n4)CC3)c[nH]c21 ZINC000031807324 569457486 /nfs/dbraw/zinc/45/74/86/569457486.db2.gz RMQJAUMEEWGWDS-XMMPIXPASA-N 0 0 430.508 3.981 50 0 IHAARN CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4)C3)nn21 ZINC000032072942 569459302 /nfs/dbraw/zinc/45/93/02/569459302.db2.gz PVVYMURNYLEECT-AWEZNQCLSA-N 0 0 443.349 3.865 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)C12CCCC2 ZINC000032089005 569459490 /nfs/dbraw/zinc/45/94/90/569459490.db2.gz OBHMERAPPBBRFY-NRFANRHFSA-N 0 0 436.508 3.611 50 0 IHAARN NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 ZINC000004176005 569460621 /nfs/dbraw/zinc/46/06/21/569460621.db2.gz WMBJWBWVEXYRAU-UHFFFAOYSA-N 0 0 433.777 3.547 50 0 IHAARN COc1cc(Br)cc(C)c1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000059327129 569460893 /nfs/dbraw/zinc/46/08/93/569460893.db2.gz XDUBEHSTZRYUFK-UHFFFAOYSA-N 0 0 442.269 3.861 50 0 IHAARN O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000032362831 569461421 /nfs/dbraw/zinc/46/14/21/569461421.db2.gz LKINMTBUZWYPLB-UHFFFAOYSA-N 0 0 426.494 3.786 50 0 IHAARN COc1cc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC ZINC000032414313 569461579 /nfs/dbraw/zinc/46/15/79/569461579.db2.gz RCCNMZSLWNBCJX-UHFFFAOYSA-N 0 0 427.497 3.612 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]1c1cccnc1 ZINC000032462801 569461842 /nfs/dbraw/zinc/46/18/42/569461842.db2.gz MWGHQTFGZPNYFE-QFIPXVFZSA-N 0 0 427.570 3.553 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000038488172 569463016 /nfs/dbraw/zinc/46/30/16/569463016.db2.gz TWQMSXIYWYSKQT-UHFFFAOYSA-N 0 0 443.370 3.926 50 0 IHAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccccc2s1 ZINC000038561555 569464012 /nfs/dbraw/zinc/46/40/12/569464012.db2.gz UEJCZMSMMUSACD-CQSZACIVSA-N 0 0 435.596 3.721 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2C)c1=O)c1ccccc1 ZINC000067218340 569464960 /nfs/dbraw/zinc/46/49/60/569464960.db2.gz GOVFZALZKSHWIF-UHFFFAOYSA-N 0 0 433.533 3.884 50 0 IHAARN Cc1ccc(F)cc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O ZINC000067218293 569464961 /nfs/dbraw/zinc/46/49/61/569464961.db2.gz CKQSFXKPJQSQHO-UHFFFAOYSA-N 0 0 449.507 3.789 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(Cl)c1 ZINC000067226178 569465261 /nfs/dbraw/zinc/46/52/61/569465261.db2.gz AZWYWPCHZABHDT-CYBMUJFWSA-N 0 0 431.949 3.690 50 0 IHAARN CCCCN(CC)C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O ZINC000067226430 569465263 /nfs/dbraw/zinc/46/52/63/569465263.db2.gz QRLIMGQVIRNXEZ-UHFFFAOYSA-N 0 0 435.450 3.534 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC[C@H](C)C2)s1 ZINC000008912422 569485033 /nfs/dbraw/zinc/48/50/33/569485033.db2.gz DFLLWTFUTMOHLH-LBPRGKRZSA-N 0 0 449.019 3.659 50 0 IHAARN Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236265 569465379 /nfs/dbraw/zinc/46/53/79/569465379.db2.gz CPCBGDQCYJFZBS-UHFFFAOYSA-N 0 0 426.542 3.773 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 ZINC000067238228 569465601 /nfs/dbraw/zinc/46/56/01/569465601.db2.gz UHMSQDKSMRUZFV-UHFFFAOYSA-N 0 0 441.557 3.768 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000067245071 569465831 /nfs/dbraw/zinc/46/58/31/569465831.db2.gz RFEMDSWFOAJBBR-UHFFFAOYSA-N 0 0 430.507 3.863 50 0 IHAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(F)c5)no4)ccc3c2=O)cc1 ZINC000038655355 569465856 /nfs/dbraw/zinc/46/58/56/569465856.db2.gz XDUCIDZYXNRDFL-UHFFFAOYSA-N 0 0 444.422 3.603 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(N4CCCC4=O)cc3)c2=O)c1 ZINC000067258131 569466161 /nfs/dbraw/zinc/46/61/61/569466161.db2.gz OYCFPAVAKAINCJ-UHFFFAOYSA-N 0 0 431.517 3.697 50 0 IHAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1cc(F)ccc1F ZINC000067258582 569466176 /nfs/dbraw/zinc/46/61/76/569466176.db2.gz NJYUFVYXMSAUQO-UHFFFAOYSA-N 0 0 429.492 3.980 50 0 IHAARN CCN1c2ccccc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O ZINC000067260054 569466286 /nfs/dbraw/zinc/46/62/86/569466286.db2.gz QJJHBWJPUMNDEK-UHFFFAOYSA-N 0 0 427.507 3.693 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cc(F)cc(F)c4)ccn3n2)cc1C ZINC000067260880 569466390 /nfs/dbraw/zinc/46/63/90/569466390.db2.gz QZVSYJFPNUKCMF-UHFFFAOYSA-N 0 0 436.462 3.765 50 0 IHAARN C[C@@H](NC(=O)CCn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccccc1 ZINC000067261668 569466588 /nfs/dbraw/zinc/46/65/88/569466588.db2.gz TYBBJDYWZIUYDZ-OAHLLOKOSA-N 0 0 426.314 3.940 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCc4ccc(Cl)cc4)c3)n2)c1 ZINC000067289568 569467522 /nfs/dbraw/zinc/46/75/22/569467522.db2.gz AOBTWDUBYSWPBM-UHFFFAOYSA-N 0 0 448.910 3.886 50 0 IHAARN CSc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c1 ZINC000067300576 569468189 /nfs/dbraw/zinc/46/81/89/569468189.db2.gz IBMGWNAFXCGCOW-UHFFFAOYSA-N 0 0 443.956 3.768 50 0 IHAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000038850612 569469278 /nfs/dbraw/zinc/46/92/78/569469278.db2.gz JVPRPJYIWOCOCZ-INIZCTEOSA-N 0 0 448.850 3.833 50 0 IHAARN Cc1cc(C)cc(NC(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000008668485 569469991 /nfs/dbraw/zinc/46/99/91/569469991.db2.gz IQCZSHSJSRFLBB-UHFFFAOYSA-N 0 0 427.460 3.798 50 0 IHAARN O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008706968 569470536 /nfs/dbraw/zinc/47/05/36/569470536.db2.gz CLLLQXZESPDUFX-UHFFFAOYSA-N 0 0 445.544 3.777 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000008707322 569470579 /nfs/dbraw/zinc/47/05/79/569470579.db2.gz HBTRNJGRCYMTTP-QGZVFWFLSA-N 0 0 439.560 3.972 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008711000 569471019 /nfs/dbraw/zinc/47/10/19/569471019.db2.gz XFQOFQYLSMNBPF-KRWDZBQOSA-N 0 0 439.589 3.727 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1 ZINC000008718016 569471244 /nfs/dbraw/zinc/47/12/44/569471244.db2.gz PWDFPSKACUKNLC-NRFANRHFSA-N 0 0 444.940 3.754 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 ZINC000008718198 569471249 /nfs/dbraw/zinc/47/12/49/569471249.db2.gz KYYMZMMBKPFINV-HXUWFJFHSA-N 0 0 429.480 3.895 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000008719363 569471411 /nfs/dbraw/zinc/47/14/11/569471411.db2.gz HKHQOGYRHGRNHW-KRWDZBQOSA-N 0 0 443.569 3.519 50 0 IHAARN Cc1csc2nc(CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc(=O)n12 ZINC000008720696 569471625 /nfs/dbraw/zinc/47/16/25/569471625.db2.gz YDDYRTPDDXOCNA-UHFFFAOYSA-N 0 0 438.582 3.533 50 0 IHAARN Cc1sc2ncnc(N[C@@H](C)C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2c1C ZINC000008724260 569471925 /nfs/dbraw/zinc/47/19/25/569471925.db2.gz AXWXUUBIHQFAGE-INIZCTEOSA-N 0 0 443.617 3.750 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OCC ZINC000008725155 569472113 /nfs/dbraw/zinc/47/21/13/569472113.db2.gz KPSAGRBDPSOBJK-UHFFFAOYSA-N 0 0 429.542 3.929 50 0 IHAARN CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000008728163 569472413 /nfs/dbraw/zinc/47/24/13/569472413.db2.gz OZRVPABVEYOAMR-UHFFFAOYSA-N 0 0 449.960 3.654 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1(c2ccccc2)CC1 ZINC000008728210 569472425 /nfs/dbraw/zinc/47/24/25/569472425.db2.gz KDRLQQPKIFJQQT-UHFFFAOYSA-N 0 0 426.582 3.642 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000008766827 569474857 /nfs/dbraw/zinc/47/48/57/569474857.db2.gz NKIKAZBHXVVDDI-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008778408 569475448 /nfs/dbraw/zinc/47/54/48/569475448.db2.gz DQOUVYXFZULECQ-UHFFFAOYSA-N 0 0 435.553 3.979 50 0 IHAARN COc1ccccc1SCC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008782136 569475735 /nfs/dbraw/zinc/47/57/35/569475735.db2.gz RNDDFGWJHGMMMI-UHFFFAOYSA-N 0 0 427.975 3.657 50 0 IHAARN CC(C)Sc1nc2c(cnn2CCNC(=O)c2ccc(F)cc2F)c(N2CCCC2)n1 ZINC000008797885 569476396 /nfs/dbraw/zinc/47/63/96/569476396.db2.gz JEGAUOUDEGYJKD-UHFFFAOYSA-N 0 0 446.527 3.635 50 0 IHAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000008825157 569477319 /nfs/dbraw/zinc/47/73/19/569477319.db2.gz BWZWVDZVVVCZPY-UHFFFAOYSA-N 0 0 445.427 3.829 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 ZINC000008834056 569477863 /nfs/dbraw/zinc/47/78/63/569477863.db2.gz GFZBKWDREWEFNO-UHFFFAOYSA-N 0 0 445.566 3.797 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OCC)c1 ZINC000008845284 569478764 /nfs/dbraw/zinc/47/87/64/569478764.db2.gz LNTXPLMFUYWRMB-HSZRJFAPSA-N 0 0 437.496 3.858 50 0 IHAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cs2)c1 ZINC000008850923 569479352 /nfs/dbraw/zinc/47/93/52/569479352.db2.gz JTTDZKGAIHSQIX-UHFFFAOYSA-N 0 0 427.551 3.741 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1C ZINC000008851499 569479402 /nfs/dbraw/zinc/47/94/02/569479402.db2.gz XVMSETWZUPZAAP-UHFFFAOYSA-N 0 0 426.582 3.552 50 0 IHAARN Cc1ccccc1NC(=O)C1(N(Cc2ccccc2)C(=O)Cc2nc(N)n[nH]2)CCCCC1 ZINC000008856963 569479833 /nfs/dbraw/zinc/47/98/33/569479833.db2.gz PRDSLTDBHZVUKR-UHFFFAOYSA-N 0 0 446.555 3.608 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc2c(c1)OCCO2 ZINC000008860966 569479915 /nfs/dbraw/zinc/47/99/15/569479915.db2.gz AHFOECVXCSNALJ-UHFFFAOYSA-N 0 0 431.901 3.794 50 0 IHAARN CCn1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc2c1=O ZINC000008862203 569480167 /nfs/dbraw/zinc/48/01/67/569480167.db2.gz UNGHOEVMKXXJRS-UHFFFAOYSA-N 0 0 428.496 3.654 50 0 IHAARN CCNC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000008876581 569481133 /nfs/dbraw/zinc/48/11/33/569481133.db2.gz JBKCNXCQENYSKV-NRFANRHFSA-N 0 0 439.313 3.714 50 0 biogenic IHAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1Br ZINC000008880661 569481521 /nfs/dbraw/zinc/48/15/21/569481521.db2.gz DAAUBAPHBOPSIM-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000039547123 569481701 /nfs/dbraw/zinc/48/17/01/569481701.db2.gz NICJQHUHIGZSQZ-HNNXBMFYSA-N 0 0 431.492 3.787 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000039588664 569481813 /nfs/dbraw/zinc/48/18/13/569481813.db2.gz OTMHNOFKBRSRDO-VOTSOKGWSA-N 0 0 449.887 3.878 50 0 IHAARN CC1CCC(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000039639712 569481819 /nfs/dbraw/zinc/48/18/19/569481819.db2.gz KSJOLOPKRGCWDJ-HXJFWZBSSA-N 0 0 426.557 3.620 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@H](C)C2 ZINC000039981627 569482288 /nfs/dbraw/zinc/48/22/88/569482288.db2.gz LDSIEGNOAQVYSO-DYESRHJHSA-N 0 0 448.519 3.659 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1oc2c(cccc2F)c1C ZINC000039996836 569482417 /nfs/dbraw/zinc/48/24/17/569482417.db2.gz VQGJTTOHJZWMRY-UHFFFAOYSA-N 0 0 439.443 3.796 50 0 IHAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCCO ZINC000040031518 569483085 /nfs/dbraw/zinc/48/30/85/569483085.db2.gz UXSQJDMFDZNEJL-QGZVFWFLSA-N 0 0 432.245 3.622 50 0 IHAARN Cc1oc(-c2cccs2)nc1COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000040039283 569483359 /nfs/dbraw/zinc/48/33/59/569483359.db2.gz RFWFIAMVPHNVDO-UHFFFAOYSA-N 0 0 440.930 3.777 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cn1nnc3ccccc31)CC2 ZINC000008899986 569484073 /nfs/dbraw/zinc/48/40/73/569484073.db2.gz UBTFWYKQOQDATN-HSZRJFAPSA-N 0 0 434.521 3.684 50 0 IHAARN Cc1ccc(-n2nnnc2S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000008899804 569484081 /nfs/dbraw/zinc/48/40/81/569484081.db2.gz QAQGSMWDPBSVLB-SFHVURJKSA-N 0 0 441.944 3.938 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN(C(=O)c4ccccc4OC(F)F)CC3)cc2c1C ZINC000040051529 569484506 /nfs/dbraw/zinc/48/45/06/569484506.db2.gz KCTLJYQZACASID-UHFFFAOYSA-N 0 0 427.451 3.984 50 0 IHAARN C[C@@H](NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21)c1ccccc1 ZINC000008913727 569485363 /nfs/dbraw/zinc/48/53/63/569485363.db2.gz GPZRMBUKYYMXFE-LJQANCHMSA-N 0 0 439.581 3.939 50 0 IHAARN Cc1ccccc1/C=C/c1nc2ccc(I)cc2c(=O)n1CCCO ZINC000008914553 569485415 /nfs/dbraw/zinc/48/54/15/569485415.db2.gz NCNQUXLFHGEQMJ-JXMROGBWSA-N 0 0 446.288 3.862 50 0 IHAARN CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000008916042 569485658 /nfs/dbraw/zinc/48/56/58/569485658.db2.gz LSSOGHJTNJOTFT-UHFFFAOYSA-N 0 0 431.396 3.545 50 0 IHAARN COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl ZINC000008917039 569485904 /nfs/dbraw/zinc/48/59/04/569485904.db2.gz FVUMNUDQGVLDLS-UHFFFAOYSA-N 0 0 435.864 3.504 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 ZINC000008917617 569486031 /nfs/dbraw/zinc/48/60/31/569486031.db2.gz NZTLRBWBOOXRMV-UHFFFAOYSA-N 0 0 429.929 3.651 50 0 IHAARN CC(C)CNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918275 569486241 /nfs/dbraw/zinc/48/62/41/569486241.db2.gz TVKMYUWJCKMDFA-VWLOTQADSA-N 0 0 430.508 3.794 50 0 biogenic IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000040079644 569486424 /nfs/dbraw/zinc/48/64/24/569486424.db2.gz RWDRSTSTSBORRH-UHFFFAOYSA-N 0 0 428.315 3.912 50 0 IHAARN COc1cc(NC(=O)c2cc(Br)ccc2F)c(C(=O)N(C)C)cc1OC ZINC000040082434 569486633 /nfs/dbraw/zinc/48/66/33/569486633.db2.gz VIXQVENGNGGAJV-UHFFFAOYSA-N 0 0 425.254 3.560 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000040086491 569486634 /nfs/dbraw/zinc/48/66/34/569486634.db2.gz WVUKLNLFGAFGFF-UHFFFAOYSA-N 0 0 441.329 3.962 50 0 IHAARN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000040094362 569487510 /nfs/dbraw/zinc/48/75/10/569487510.db2.gz NPGSMRSCGDLTRV-FQEVSTJZSA-N 0 0 437.496 3.845 50 0 IHAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000040103874 569488118 /nfs/dbraw/zinc/48/81/18/569488118.db2.gz DEVNOQXLDJFFIW-UHFFFAOYSA-N 0 0 427.473 3.639 50 0 IHAARN COc1ccc(Cl)cc1C(=O)NCCn1ncc2c1nc(SC)nc2NCC(C)C ZINC000008942548 569488692 /nfs/dbraw/zinc/48/86/92/569488692.db2.gz PNVFDVAGOWGVRW-UHFFFAOYSA-N 0 0 448.980 3.708 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000040112902 569488909 /nfs/dbraw/zinc/48/89/09/569488909.db2.gz FYCFVVJAHLUANJ-SNVBAGLBSA-N 0 0 425.842 3.703 50 0 IHAARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000040116862 569489317 /nfs/dbraw/zinc/48/93/17/569489317.db2.gz JHMSEQXHMBQRDA-GOSISDBHSA-N 0 0 425.794 3.765 50 0 IHAARN COc1ccc(Cc2nn(CN3CCC[C@@H]3c3nnc4n3CCCCC4)c(=S)o2)cc1 ZINC000040118706 569489349 /nfs/dbraw/zinc/48/93/49/569489349.db2.gz NJJSRAAMZPSVJR-GOSISDBHSA-N 0 0 440.573 3.917 50 0 IHAARN CCC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000040128611 569489747 /nfs/dbraw/zinc/48/97/47/569489747.db2.gz YVONYRDYSXZYKF-UHFFFAOYSA-N 0 0 425.481 3.754 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c(OC)c1 ZINC000008955994 569490158 /nfs/dbraw/zinc/49/01/58/569490158.db2.gz NAKQXICRLNTXMG-UHFFFAOYSA-N 0 0 442.522 3.546 50 0 IHAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)NCc1ccccc1Cl)c2=O ZINC000008956069 569490254 /nfs/dbraw/zinc/49/02/54/569490254.db2.gz AXFPXAVFPJKZHR-UHFFFAOYSA-N 0 0 430.942 3.860 50 0 IHAARN O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000040135412 569490724 /nfs/dbraw/zinc/49/07/24/569490724.db2.gz LGGCOXGSOIEFIX-UHFFFAOYSA-N 0 0 445.991 3.781 50 0 IHAARN CN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1 ZINC000040138906 569490749 /nfs/dbraw/zinc/49/07/49/569490749.db2.gz RGVZQDZUPYCBAY-UHFFFAOYSA-N 0 0 444.466 3.889 50 0 IHAARN Cc1c2cnn(CC(=O)N3CCc4ccccc43)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000008965398 569491426 /nfs/dbraw/zinc/49/14/26/569491426.db2.gz KBJRKNISYZIIJY-UHFFFAOYSA-N 0 0 426.520 3.761 50 0 IHAARN CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000040145065 569492019 /nfs/dbraw/zinc/49/20/19/569492019.db2.gz KSDUHJHETLCNAQ-UHFFFAOYSA-N 0 0 429.923 3.810 50 0 IHAARN O=C(Nc1cccc(I)c1)[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000040149010 569492396 /nfs/dbraw/zinc/49/23/96/569492396.db2.gz GDDMNDWHACXHMG-INIZCTEOSA-N 0 0 441.313 3.736 50 0 IHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000040148914 569492416 /nfs/dbraw/zinc/49/24/16/569492416.db2.gz OFEMKNYSZSQUJI-HNNXBMFYSA-N 0 0 440.935 3.860 50 0 IHAARN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008980636 569493097 /nfs/dbraw/zinc/49/30/97/569493097.db2.gz JSMBIQXPXDVCFZ-ZDUSSCGKSA-N 0 0 440.443 3.721 50 0 IHAARN Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000040155203 569493864 /nfs/dbraw/zinc/49/38/64/569493864.db2.gz CTEQESOFLUDWLS-UHFFFAOYSA-N 0 0 436.287 3.799 50 0 IHAARN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(C)nc3c2nc2n3CCCCC2)CC1 ZINC000040155964 569494011 /nfs/dbraw/zinc/49/40/11/569494011.db2.gz IKVJWDVQFKXDBS-UHFFFAOYSA-N 0 0 425.577 3.577 50 0 IHAARN CCOc1cc(C(=O)Oc2ccc(-n3c(C)c(C)c4c3nc[nH]c4=O)cc2)ccc1OC ZINC000040156540 569494208 /nfs/dbraw/zinc/49/42/08/569494208.db2.gz SETRVYMDAAUDDH-UHFFFAOYSA-N 0 0 433.464 3.957 50 0 IHAARN CC(=O)c1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008982634 569494508 /nfs/dbraw/zinc/49/45/08/569494508.db2.gz JNLGDRJFYZQSPI-UHFFFAOYSA-N 0 0 436.533 3.709 50 0 IHAARN COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1 ZINC000008993665 569495469 /nfs/dbraw/zinc/49/54/69/569495469.db2.gz GYRIRRQIMAUWTC-RTBURBONSA-N 0 0 436.986 3.666 50 0 IHAARN CN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000008993838 569495506 /nfs/dbraw/zinc/49/55/06/569495506.db2.gz LXBNGDZGHMTSSE-UHFFFAOYSA-N 0 0 432.455 3.660 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000008994298 569495540 /nfs/dbraw/zinc/49/55/40/569495540.db2.gz GLRBRGKHYINNPQ-MUXOPTKESA-N 0 0 443.613 3.578 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 ZINC000008995975 569495715 /nfs/dbraw/zinc/49/57/15/569495715.db2.gz OMDJICCKBVKQFY-QGZVFWFLSA-N 0 0 446.576 3.985 50 0 IHAARN C[C@@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009031704 569497156 /nfs/dbraw/zinc/49/71/56/569497156.db2.gz ZNYFIVBKLHBDGY-QGZVFWFLSA-N 0 0 433.460 3.856 50 0 IHAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OCC(C)C ZINC000040283795 569497914 /nfs/dbraw/zinc/49/79/14/569497914.db2.gz XMQTXLQUYIGMPS-MRXNPFEDSA-N 0 0 447.499 3.785 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000040285302 569498097 /nfs/dbraw/zinc/49/80/97/569498097.db2.gz XQYDGKMBZJMMEY-UHFFFAOYSA-N 0 0 426.904 3.658 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC ZINC000009050110 569498626 /nfs/dbraw/zinc/49/86/26/569498626.db2.gz IYXYMQUZWPMRIT-FQEVSTJZSA-N 0 0 449.551 3.673 50 0 IHAARN Cn1nnnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000009056765 569499084 /nfs/dbraw/zinc/49/90/84/569499084.db2.gz ZJHCJZRJWYHMQT-UHFFFAOYSA-N 0 0 440.529 3.798 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000245237169 569500392 /nfs/dbraw/zinc/50/03/92/569500392.db2.gz FWDQATLUPVKPCY-HHXXYDBFSA-N 0 0 427.574 3.635 50 0 IHAARN O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094842 569501246 /nfs/dbraw/zinc/50/12/46/569501246.db2.gz JGMJJALCUBVCJB-JOCHJYFZSA-N 0 0 442.968 3.589 50 0 IHAARN COc1ccc([C@@H]2N(C(=O)c3ccccc3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009095056 569501269 /nfs/dbraw/zinc/50/12/69/569501269.db2.gz NZLQYGQDJBKGAW-HSZRJFAPSA-N 0 0 436.533 3.931 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCCO5)n3C)n2)cc1 ZINC000009096192 569501435 /nfs/dbraw/zinc/50/14/35/569501435.db2.gz GXXXWFACEQWOOM-UHFFFAOYSA-N 0 0 437.481 3.604 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009100990 569501739 /nfs/dbraw/zinc/50/17/39/569501739.db2.gz HEOBGJJFJAQKJP-HXUWFJFHSA-N 0 0 427.451 3.697 50 0 IHAARN COc1ccccc1-n1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 ZINC000009111772 569502320 /nfs/dbraw/zinc/50/23/20/569502320.db2.gz HKMABODFTFHNKH-CABCVRRESA-N 0 0 444.582 3.780 50 0 IHAARN CC1=C(C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(Cl)c2)SCCO1 ZINC000009115321 569502691 /nfs/dbraw/zinc/50/26/91/569502691.db2.gz FBNZCKVSSQBXOW-UHFFFAOYSA-N 0 0 446.912 3.932 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000009124752 569504447 /nfs/dbraw/zinc/50/44/47/569504447.db2.gz CFCVHTISBLYSQN-CQSZACIVSA-N 0 0 447.413 3.687 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(C)n1-c1nccs1 ZINC000009125753 569504676 /nfs/dbraw/zinc/50/46/76/569504676.db2.gz XGDPBZYKWRDJKA-QGZVFWFLSA-N 0 0 437.521 3.638 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1CCO)N(C1CCCCC1)C1CCCCC1 ZINC000009125924 569504768 /nfs/dbraw/zinc/50/47/68/569504768.db2.gz XDDIQCUHIMHWHX-UHFFFAOYSA-N 0 0 443.613 3.975 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)[C@H](c3ccco3)C2)cc1 ZINC000009126024 569504793 /nfs/dbraw/zinc/50/47/93/569504793.db2.gz UZRUCVLGWLUFDQ-FQEVSTJZSA-N 0 0 448.523 3.911 50 0 IHAARN COc1cccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2-c2ccc(C)cc2)c1 ZINC000009126220 569504873 /nfs/dbraw/zinc/50/48/73/569504873.db2.gz DYAPBGQRFOMFMJ-SFHVURJKSA-N 0 0 439.541 3.563 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCOC3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC000009127017 569505081 /nfs/dbraw/zinc/50/50/81/569505081.db2.gz ZNTFEDWBOCHWPZ-UHFFFAOYSA-N 0 0 428.901 3.967 50 0 IHAARN COc1cc(-c2nc(CCNC(=O)c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC ZINC000009129624 569505781 /nfs/dbraw/zinc/50/57/81/569505781.db2.gz GYRPJDUKNNQXKQ-UHFFFAOYSA-N 0 0 442.493 3.537 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)c3cccc(C)c3)cc21 ZINC000040450388 569506338 /nfs/dbraw/zinc/50/63/38/569506338.db2.gz FAMDHUNLWBBPAE-UHFFFAOYSA-N 0 0 437.359 3.882 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 ZINC000040478467 569506787 /nfs/dbraw/zinc/50/67/87/569506787.db2.gz IBMOKLLNBVDUCT-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 ZINC000009131545 569506946 /nfs/dbraw/zinc/50/69/46/569506946.db2.gz IESVLNKTSLGBTI-GOSISDBHSA-N 0 0 439.512 3.932 50 0 IHAARN CCSc1nnc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)s1 ZINC000009144593 569507312 /nfs/dbraw/zinc/50/73/12/569507312.db2.gz FGBTYIYKUWHKQZ-UHFFFAOYSA-N 0 0 436.474 3.619 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009152821 569507860 /nfs/dbraw/zinc/50/78/60/569507860.db2.gz QSMSOYPZGLGDPR-ZIAGYGMSSA-N 0 0 448.566 3.709 50 0 IHAARN CCc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009152788 569507861 /nfs/dbraw/zinc/50/78/61/569507861.db2.gz YTYIGYIGZAKHMU-UONOGXRCSA-N 0 0 432.567 3.873 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c21 ZINC000009153437 569508073 /nfs/dbraw/zinc/50/80/73/569508073.db2.gz HLRYUXIDIGDBDM-LJQANCHMSA-N 0 0 448.523 3.562 50 0 IHAARN CCn1c(SCCNS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009165290 569508806 /nfs/dbraw/zinc/50/88/06/569508806.db2.gz INRQWRNWQAZOMV-UHFFFAOYSA-N 0 0 436.990 3.997 50 0 IHAARN CN1c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2OCC(C)(C)C1=O ZINC000009165559 569508811 /nfs/dbraw/zinc/50/88/11/569508811.db2.gz UIOKMFQIQYPZDD-UHFFFAOYSA-N 0 0 439.331 3.631 50 0 IHAARN CCN1c2cc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009170762 569509330 /nfs/dbraw/zinc/50/93/30/569509330.db2.gz CZVWGGNWGFCBDP-UHFFFAOYSA-N 0 0 432.542 3.884 50 0 IHAARN CC1(C)COc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2NC1=O ZINC000009173328 569509654 /nfs/dbraw/zinc/50/96/54/569509654.db2.gz MGHSFTCRYDMAEV-UHFFFAOYSA-N 0 0 425.304 3.607 50 0 IHAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 ZINC000009193564 569510881 /nfs/dbraw/zinc/51/08/81/569510881.db2.gz DGHOGIXKASFSDP-HHHXNRCGSA-N 0 0 439.515 3.804 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1Cl ZINC000009205211 569511323 /nfs/dbraw/zinc/51/13/23/569511323.db2.gz HTQMZHQHYWGTNR-UHFFFAOYSA-N 0 0 425.963 3.559 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCCn1nnc2sc(-c3ccccc3)cc2c1=O ZINC000009206845 569511409 /nfs/dbraw/zinc/51/14/09/569511409.db2.gz CVRIHDJVGCNXGH-UHFFFAOYSA-N 0 0 430.489 3.596 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000069657455 569511721 /nfs/dbraw/zinc/51/17/21/569511721.db2.gz BQVFNPUVFUGXRV-OAQYLSRUSA-N 0 0 427.932 3.867 50 0 IHAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009222518 569512744 /nfs/dbraw/zinc/51/27/44/569512744.db2.gz BPDGQJZXKZKAEB-UHFFFAOYSA-N 0 0 427.551 3.771 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009236788 569514155 /nfs/dbraw/zinc/51/41/55/569514155.db2.gz XKNYSKAAZPANQM-MSOLQXFVSA-N 0 0 429.933 3.955 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N(CC)CC)cc1 ZINC000009238472 569514283 /nfs/dbraw/zinc/51/42/83/569514283.db2.gz TZJCQTPOHJIBBK-VQTJNVASSA-N 0 0 437.569 3.971 50 0 IHAARN O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238551 569514352 /nfs/dbraw/zinc/51/43/52/569514352.db2.gz XSRCQBPUNGRCBF-RBUKOAKNSA-N 0 0 435.484 3.753 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccncc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000009241440 569514716 /nfs/dbraw/zinc/51/47/16/569514716.db2.gz NUIAINMNSOCDDU-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000009249924 569515623 /nfs/dbraw/zinc/51/56/23/569515623.db2.gz JGTVJSMHWVAUHV-AWEZNQCLSA-N 0 0 431.439 3.964 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C ZINC000009254184 569516284 /nfs/dbraw/zinc/51/62/84/569516284.db2.gz JWNGQCLROCCKJK-MRXNPFEDSA-N 0 0 448.560 3.788 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009256688 569516767 /nfs/dbraw/zinc/51/67/67/569516767.db2.gz MAQKRJBLPPHGEJ-UHFFFAOYSA-N 0 0 434.901 3.911 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)sc2C)cc1 ZINC000009256855 569516775 /nfs/dbraw/zinc/51/67/75/569516775.db2.gz CMAJOQYZBNREFJ-UHFFFAOYSA-N 0 0 442.541 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O=C(C=Cc1ccc(Br)cc1)NC(=S)NN1CCCC[C@@H]1c1cccnc1 ZINC000009478036 569539324 /nfs/dbraw/zinc/53/93/24/569539324.db2.gz JKECHXGOXFKXMC-VEGGFIAOSA-N 0 0 445.386 3.990 50 0 IHAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009478587 569539375 /nfs/dbraw/zinc/53/93/75/569539375.db2.gz SPLQJMGICLTFGX-UHFFFAOYSA-N 0 0 438.538 3.653 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)nn3-c3ccccc3)o2)cc1 ZINC000009480917 569539447 /nfs/dbraw/zinc/53/94/47/569539447.db2.gz MWVNHUDFRULKIS-UHFFFAOYSA-N 0 0 435.509 3.894 50 0 IHAARN Cc1cccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000009487646 569539758 /nfs/dbraw/zinc/53/97/58/569539758.db2.gz CCLDIIVDDBKYBP-AREMUKBSSA-N 0 0 429.472 3.774 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000009488024 569539853 /nfs/dbraw/zinc/53/98/53/569539853.db2.gz ADMJATJNBFWKSS-UHFFFAOYSA-N 0 0 449.532 3.631 50 0 IHAARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009491479 569540384 /nfs/dbraw/zinc/54/03/84/569540384.db2.gz ZYLYQTQUFJDDRW-KRWDZBQOSA-N 0 0 434.521 3.963 50 0 IHAARN CC(C)n1c2ccccc2nc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000009492331 569540582 /nfs/dbraw/zinc/54/05/82/569540582.db2.gz UIJFBMJDAMVZMZ-UHFFFAOYSA-N 0 0 436.459 3.882 50 0 IHAARN COc1cccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 ZINC000009507067 569541948 /nfs/dbraw/zinc/54/19/48/569541948.db2.gz DTZCYFNUSRWCPF-DEOSSOPVSA-N 0 0 446.503 3.965 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000009509607 569542617 /nfs/dbraw/zinc/54/26/17/569542617.db2.gz KWFOFFXTUOKEQN-UHFFFAOYSA-N 0 0 432.299 3.980 50 0 IHAARN Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 ZINC000009509600 569542634 /nfs/dbraw/zinc/54/26/34/569542634.db2.gz WCBBGLPOSVFRTK-YADARESESA-N 0 0 434.517 3.939 50 0 IHAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(OC)c(OC)c(OC)c1)n2CC ZINC000009511749 569542853 /nfs/dbraw/zinc/54/28/53/569542853.db2.gz WXTMCSMPCMCKIZ-GHVJWSGMSA-N 0 0 444.509 3.666 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COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)o2)cc1OC ZINC000009562513 569547332 /nfs/dbraw/zinc/54/73/32/569547332.db2.gz YUTCSGWKBXMGFN-UHFFFAOYSA-N 0 0 429.542 3.931 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2cc(Cl)ccc2Cl)c3=O)cc1C ZINC000009563080 569547374 /nfs/dbraw/zinc/54/73/74/569547374.db2.gz GHANQNBKASIKJP-UHFFFAOYSA-N 0 0 428.279 3.890 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1OC ZINC000009568840 569547438 /nfs/dbraw/zinc/54/74/38/569547438.db2.gz WDVGDMDKGKHXNR-ZDUSSCGKSA-N 0 0 439.390 3.529 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000009569571 569547603 /nfs/dbraw/zinc/54/76/03/569547603.db2.gz OHAUUOWPUQAXGU-UHFFFAOYSA-N 0 0 446.529 3.517 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CCC1 ZINC000009577236 569548183 /nfs/dbraw/zinc/54/81/83/569548183.db2.gz FZTDAVNSBORCES-UHFFFAOYSA-N 0 0 428.554 3.930 50 0 IHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccccc4F)nn32)cc1 ZINC000009578650 569548373 /nfs/dbraw/zinc/54/83/73/569548373.db2.gz YUHGEQSLWRGHFZ-UHFFFAOYSA-N 0 0 437.500 3.537 50 0 IHAARN CC(C)[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000009579826 569548555 /nfs/dbraw/zinc/54/85/55/569548555.db2.gz AMTZXVJPKQKAAQ-HXUWFJFHSA-N 0 0 428.558 3.867 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O ZINC000009579730 569548582 /nfs/dbraw/zinc/54/85/82/569548582.db2.gz WCIGQJOUYMYJNV-VOIUYBSRSA-N 0 0 439.487 3.735 50 0 IHAARN Cc1c(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cnn1-c1ccccc1 ZINC000070638483 569548990 /nfs/dbraw/zinc/54/89/90/569548990.db2.gz KMDCEAIBHLUGLP-UHFFFAOYSA-N 0 0 433.493 3.681 50 0 IHAARN COCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000009593817 569550448 /nfs/dbraw/zinc/55/04/48/569550448.db2.gz CJCAMZYPENSJFL-ZWKOTPCHSA-N 0 0 443.960 3.510 50 0 IHAARN C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCCO2 ZINC000009594314 569550606 /nfs/dbraw/zinc/55/06/06/569550606.db2.gz JCIMGMXAYHNDLI-LBPRGKRZSA-N 0 0 430.913 3.933 50 0 IHAARN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000009596686 569550824 /nfs/dbraw/zinc/55/08/24/569550824.db2.gz LZEBXKPHJCFWNA-MRXNPFEDSA-N 0 0 448.552 3.740 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1OC ZINC000009597175 569550902 /nfs/dbraw/zinc/55/09/02/569550902.db2.gz KJKNGWZVXTVXEU-UHFFFAOYSA-N 0 0 429.488 3.557 50 0 IHAARN COC(=O)c1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000009608788 569552198 /nfs/dbraw/zinc/55/21/98/569552198.db2.gz XMNBMVRCBGQAOG-GOSISDBHSA-N 0 0 437.887 3.954 50 0 IHAARN COC(=O)c1nc2n(n1)[C@@H](c1ccc(OC)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009608854 569552280 /nfs/dbraw/zinc/55/22/80/569552280.db2.gz DRUNTIHZPWTBOT-FQEVSTJZSA-N 0 0 447.495 3.618 50 0 IHAARN COc1cccc(-c2nc3nc(C)c(CCC(=O)NCc4ccc(C)cc4)c(C)n3n2)c1 ZINC000009610346 569552535 /nfs/dbraw/zinc/55/25/35/569552535.db2.gz QFNJUMWJZUZRBV-UHFFFAOYSA-N 0 0 429.524 3.974 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009613111 569552982 /nfs/dbraw/zinc/55/29/82/569552982.db2.gz RHSLFXSJARYECH-UHFFFAOYSA-N 0 0 445.994 3.603 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000009613300 569552993 /nfs/dbraw/zinc/55/29/93/569552993.db2.gz PZGYSHBYFYQGOH-UHFFFAOYSA-N 0 0 449.532 3.891 50 0 IHAARN COc1cc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)ccc1OCc1ccccc1 ZINC000009614170 569553073 /nfs/dbraw/zinc/55/30/73/569553073.db2.gz AIOKGJXXVGPLJP-UHFFFAOYSA-N 0 0 429.480 3.522 50 0 IHAARN COc1cccc(Nc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)s2)c1 ZINC000009616329 569553296 /nfs/dbraw/zinc/55/32/96/569553296.db2.gz BATFBWMKRUGMQZ-UHFFFAOYSA-N 0 0 433.490 3.870 50 0 IHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)NC1CCCC1 ZINC000009616912 569553365 /nfs/dbraw/zinc/55/33/65/569553365.db2.gz UUOHKUWAOPZRGK-UHFFFAOYSA-N 0 0 437.515 3.580 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)nn1 ZINC000009626777 569553535 /nfs/dbraw/zinc/55/35/35/569553535.db2.gz DOJJHUMYEQLGCZ-UHFFFAOYSA-N 0 0 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CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000071326828 569575042 /nfs/dbraw/zinc/57/50/42/569575042.db2.gz BKHLXNCPACUYOW-LJQANCHMSA-N 0 0 443.912 3.578 50 0 IHAARN Cc1occc1-c1nnc(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1N ZINC000009959715 569575202 /nfs/dbraw/zinc/57/52/02/569575202.db2.gz XEFOWBAKXOWLFD-KOLCDFICSA-N 0 0 442.570 3.836 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000071327236 569575226 /nfs/dbraw/zinc/57/52/26/569575226.db2.gz GYPKMGJMVRSDBF-UHFFFAOYSA-N 0 0 443.891 3.538 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CN1C(=O)C(c3ccccc3)=NC13CCC(C)CC3)CCO2 ZINC000071327898 569575415 /nfs/dbraw/zinc/57/54/15/569575415.db2.gz MLVVNEKYQHICQB-UHFFFAOYSA-N 0 0 431.536 3.958 50 0 IHAARN COc1cccc(NC(=O)[C@@H](OC(=O)CCn2c(C)csc2=O)c2ccccc2)c1 ZINC000009960852 569575454 /nfs/dbraw/zinc/57/54/54/569575454.db2.gz YKWRFEDRSUJOKG-FQEVSTJZSA-N 0 0 426.494 3.540 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961932 569575611 /nfs/dbraw/zinc/57/56/11/569575611.db2.gz CSJVLAPNLJPDOO-INIZCTEOSA-N 0 0 429.929 3.928 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)cc2C1=O ZINC000009961711 569575620 /nfs/dbraw/zinc/57/56/20/569575620.db2.gz YRXIITIUAZSRLE-LBPRGKRZSA-N 0 0 439.537 3.620 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961962 569575655 /nfs/dbraw/zinc/57/56/55/569575655.db2.gz CVUFARQPXIVKLF-SFHVURJKSA-N 0 0 443.956 3.605 50 0 IHAARN COc1ccccc1CNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000009963549 569575811 /nfs/dbraw/zinc/57/58/11/569575811.db2.gz FLGFDSXBJSOUQT-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000009981735 569576491 /nfs/dbraw/zinc/57/64/91/569576491.db2.gz PSHSFMUXTBXSBR-SFHVURJKSA-N 0 0 428.222 3.677 50 0 IHAARN Cc1ccc2c(COC(=O)c3ccccc3SCC(=O)N(C)C)cc(=O)oc2c1C ZINC000009985474 569576742 /nfs/dbraw/zinc/57/67/42/569576742.db2.gz INTCNXGBRNXDIP-UHFFFAOYSA-N 0 0 425.506 3.947 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009991042 569576902 /nfs/dbraw/zinc/57/69/02/569576902.db2.gz YDRYUWGNZCPZRE-UHFFFAOYSA-N 0 0 445.519 3.995 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000010007627 569577039 /nfs/dbraw/zinc/57/70/39/569577039.db2.gz JKFFMAMECOMOPF-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000010022269 569577262 /nfs/dbraw/zinc/57/72/62/569577262.db2.gz WDDXJGZGZBJLTC-RBBKRZOGSA-N 0 0 442.943 3.831 50 0 IHAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000010032514 569577349 /nfs/dbraw/zinc/57/73/49/569577349.db2.gz XIRFGQZGGOGPKA-VIFPVBQESA-N 0 0 449.583 3.512 50 0 IHAARN Cc1ccc(NC(=O)CCc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 ZINC000010158467 569578203 /nfs/dbraw/zinc/57/82/03/569578203.db2.gz DLCCFIBQDMYHPA-OAHLLOKOSA-N 0 0 448.552 3.785 50 0 IHAARN O=C(CNc1ccc(SC(F)F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000010179344 569578297 /nfs/dbraw/zinc/57/82/97/569578297.db2.gz WFFCMKQDHVDDGU-INIZCTEOSA-N 0 0 426.510 3.634 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1 ZINC000010186577 569578428 /nfs/dbraw/zinc/57/84/28/569578428.db2.gz OQXRNYJPSZDMBW-UHFFFAOYSA-N 0 0 439.468 3.643 50 0 IHAARN C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000010187154 569578552 /nfs/dbraw/zinc/57/85/52/569578552.db2.gz LAVSVGMNJYIOOJ-PWSUYJOCSA-N 0 0 446.019 3.775 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000010188048 569578742 /nfs/dbraw/zinc/57/87/42/569578742.db2.gz YOMLZNZROHXOQM-UHFFFAOYSA-N 0 0 432.807 3.532 50 0 IHAARN Fc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000010213519 569579003 /nfs/dbraw/zinc/57/90/03/569579003.db2.gz NZFKDDWUDBXBGW-GOSISDBHSA-N 0 0 437.504 3.531 50 0 IHAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)cc1 ZINC000010214372 569579144 /nfs/dbraw/zinc/57/91/44/569579144.db2.gz KXGXRYILAGWINU-JOCHJYFZSA-N 0 0 435.524 3.976 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccc(C(F)(F)F)cc2)c3=O)cc1C ZINC000010252082 569579855 /nfs/dbraw/zinc/57/98/55/569579855.db2.gz WNQUXWTYTDXVJG-UHFFFAOYSA-N 0 0 427.386 3.602 50 0 IHAARN CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000010251740 569579863 /nfs/dbraw/zinc/57/98/63/569579863.db2.gz BNXLVDPNFQJERV-UHFFFAOYSA-N 0 0 437.887 3.798 50 0 IHAARN Cc1cn2c3c(nc2n1-c1ccc(C)c(Cl)c1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000010271849 569580096 /nfs/dbraw/zinc/58/00/96/569580096.db2.gz KSZHLAPWNMISMZ-UHFFFAOYSA-N 0 0 447.926 3.652 50 0 IHAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(F)cc3Cl)c2)n1 ZINC000071768563 569580754 /nfs/dbraw/zinc/58/07/54/569580754.db2.gz RULPWPZVCGDBFZ-UHFFFAOYSA-N 0 0 426.839 3.602 50 0 IHAARN COc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)cc1 ZINC000071768680 569580815 /nfs/dbraw/zinc/58/08/15/569580815.db2.gz SGVSKGLQLQUOOM-UHFFFAOYSA-N 0 0 432.484 3.688 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)cc1 ZINC000010337651 569581382 /nfs/dbraw/zinc/58/13/82/569581382.db2.gz BZUDFWIQCUVSKW-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN Cc1ccc(CNC(=O)CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000071804861 569581797 /nfs/dbraw/zinc/58/17/97/569581797.db2.gz FAYOIJNZQIXZTE-DEOSSOPVSA-N 0 0 427.504 3.817 50 0 IHAARN CCCCC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000010399845 569581931 /nfs/dbraw/zinc/58/19/31/569581931.db2.gz IYXHTMXVBLYQJJ-KRWDZBQOSA-N 0 0 427.636 3.823 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000010407730 569581950 /nfs/dbraw/zinc/58/19/50/569581950.db2.gz WMPOVBWXTZMZLK-GOSISDBHSA-N 0 0 444.601 3.816 50 0 IHAARN CCOC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000010433793 569582139 /nfs/dbraw/zinc/58/21/39/569582139.db2.gz BFALOYYTGCRDIO-UHFFFAOYSA-N 0 0 446.912 3.540 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc12 ZINC000010447396 569582302 /nfs/dbraw/zinc/58/23/02/569582302.db2.gz CHPQMJDUNCNOQZ-UHFFFAOYSA-N 0 0 429.856 3.611 50 0 IHAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010447054 569582324 /nfs/dbraw/zinc/58/23/24/569582324.db2.gz LCFXWGQYGZIKEW-UHFFFAOYSA-N 0 0 437.584 3.586 50 0 IHAARN COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 ZINC000072403871 569583749 /nfs/dbraw/zinc/58/37/49/569583749.db2.gz OTPDCZCMNAWRLB-QGZVFWFLSA-N 0 0 435.505 3.528 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000032250021 569583918 /nfs/dbraw/zinc/58/39/18/569583918.db2.gz FHJGTWQPTSBJHL-SFHVURJKSA-N 0 0 425.916 3.934 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000032250016 569583944 /nfs/dbraw/zinc/58/39/44/569583944.db2.gz FHJGTWQPTSBJHL-GOSISDBHSA-N 0 0 425.916 3.934 50 0 IHAARN COc1ccc(-c2cc(N3CCC(C(=O)NCc4nc5ccccc5[nH]4)CC3)ncn2)cc1 ZINC000077099691 569585207 /nfs/dbraw/zinc/58/52/07/569585207.db2.gz FIYJKULBLAVCKT-UHFFFAOYSA-N 0 0 442.523 3.561 50 0 IHAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101305 569585609 /nfs/dbraw/zinc/58/56/09/569585609.db2.gz YKCYFLDNSFXRFM-UHFFFAOYSA-N 0 0 439.519 3.591 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000077191572 569585975 /nfs/dbraw/zinc/58/59/75/569585975.db2.gz NNBDUHBABWJSEO-UHFFFAOYSA-N 0 0 425.916 3.505 50 0 IHAARN O=C(NC1(c2nc(C3CC3)no2)CCCCC1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000077197389 569586221 /nfs/dbraw/zinc/58/62/21/569586221.db2.gz ZYKYRVCAWCMPDM-QGZVFWFLSA-N 0 0 442.947 3.925 50 0 IHAARN COc1ccc(Cc2nc3c(c(=O)[nH]2)CN(C(=O)Nc2ccc(SC)cc2)CC3)cc1 ZINC000016531334 569586760 /nfs/dbraw/zinc/58/67/60/569586760.db2.gz VQLPHVUVHOHYJC-UHFFFAOYSA-N 0 0 436.537 3.681 50 0 IHAARN COc1ccc(Cl)cc1N1CCN2c3ccccc3C[C@@H](C(=O)NCC3CC3)[C@@H]2C1 ZINC000104915044 569587034 /nfs/dbraw/zinc/58/70/34/569587034.db2.gz AXHUCIFIDUFAFQ-KNQAVFIVSA-N 0 0 425.960 3.742 50 0 IHAARN CC(=O)N1N=C(c2c(C)n(C)n(-c3ccccc3)c2=O)O[C@H]1c1csc2c1CCCC2 ZINC000021091752 569587139 /nfs/dbraw/zinc/58/71/39/569587139.db2.gz ZAOMPRKECGZXIM-QHCPKHFHSA-N 0 0 436.537 3.664 50 0 IHAARN Cc1sc2nc(SCC(=O)NC(=O)NC(C)(C)C)n(C3CCCC3)c(=O)c2c1C ZINC000012781767 121291264 /nfs/dbraw/zinc/29/12/64/121291264.db2.gz CARSGUVXGHZUDT-UHFFFAOYSA-N 0 0 436.603 3.906 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccc(OC)cc2)cc1 ZINC000000636712 193866049 /nfs/dbraw/zinc/86/60/49/193866049.db2.gz WFHLBVKAICZZKL-UHFFFAOYSA-N 0 0 437.492 3.855 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000006237903 193893273 /nfs/dbraw/zinc/89/32/73/193893273.db2.gz WTFDSEUHXMAZAD-FQEVSTJZSA-N 0 0 437.525 3.945 50 0 IHAARN Cc1sc2ncn(CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(=O)c2c1-c1ccccc1 ZINC000009043976 132226601 /nfs/dbraw/zinc/22/66/01/132226601.db2.gz USFFEWHBBVLFEB-UHFFFAOYSA-N 0 0 445.500 3.672 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)cc1C ZINC000000644624 132228334 /nfs/dbraw/zinc/22/83/34/132228334.db2.gz GGOVSYFWPVFHFI-UHFFFAOYSA-N 0 0 428.476 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccccc4)cc32)cc1 ZINC000009708660 132236864 /nfs/dbraw/zinc/23/68/64/132236864.db2.gz UNTAKJYKGZCYHR-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1C ZINC000001465812 132245705 /nfs/dbraw/zinc/24/57/05/132245705.db2.gz OLXYKRMDQKCPSO-UHFFFAOYSA-N 0 0 442.610 3.698 50 0 IHAARN CCCCN(CCCC)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O ZINC000001819077 132247074 /nfs/dbraw/zinc/24/70/74/132247074.db2.gz ZGOVJBBAJKVEJI-UHFFFAOYSA-N 0 0 444.595 3.955 50 0 IHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1c2ccc(F)cc2CC[C@H]1C ZINC000002441381 132254558 /nfs/dbraw/zinc/25/45/58/132254558.db2.gz FZOFEJFQOUUXHS-CYBMUJFWSA-N 0 0 425.460 3.882 50 0 IHAARN CCCCNC(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000002931147 132259216 /nfs/dbraw/zinc/25/92/16/132259216.db2.gz HJFXHJKHBYCUEI-UHFFFAOYSA-N 0 0 439.585 3.865 50 0 IHAARN CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000003029572 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CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)cc1 ZINC000020580238 518350486 /nfs/dbraw/zinc/35/04/86/518350486.db2.gz ZRUKSMBMXSOPBJ-UHFFFAOYSA-N 0 0 439.537 3.672 50 0 IHAARN CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000012787761 518391308 /nfs/dbraw/zinc/39/13/08/518391308.db2.gz ZRSLRBZNJSPRKV-IRXDYDNUSA-N 0 0 444.553 3.858 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000024601185 518404885 /nfs/dbraw/zinc/40/48/85/518404885.db2.gz WLRUXPAZAFOVOL-UHFFFAOYSA-N 0 0 427.353 3.703 50 0 IHAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@H]1COc3ccccc3O1)O2 ZINC000012185317 518462463 /nfs/dbraw/zinc/46/24/63/518462463.db2.gz YXDWZJKBKRQCMR-UQBPGWFLSA-N 0 0 429.472 3.816 50 0 IHAARN C/C=C/c1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)c(OC)c1 ZINC000012922683 518554941 /nfs/dbraw/zinc/55/49/41/518554941.db2.gz IUBYGECYRIHMIN-IDOMTICXSA-N 0 0 445.317 3.584 50 0 IHAARN CC(C)(C)CC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 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CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000020902249 519604420 /nfs/dbraw/zinc/60/44/20/519604420.db2.gz PLUIITGNSWCNJZ-UHFFFAOYSA-N 0 0 434.823 3.905 50 0 IHAARN CC(C)CCNC(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000015827221 519656363 /nfs/dbraw/zinc/65/63/63/519656363.db2.gz HQCPDGXORWIPIU-UHFFFAOYSA-N 0 0 431.583 3.647 50 0 IHAARN CC(C)CCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1 ZINC000036049026 519661564 /nfs/dbraw/zinc/66/15/64/519661564.db2.gz XOTGHVXUGIRNNA-PMACEKPBSA-N 0 0 426.488 3.573 50 0 IHAARN CC(C)CCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(F)cc1 ZINC000036049024 519661584 /nfs/dbraw/zinc/66/15/84/519661584.db2.gz XOTGHVXUGIRNNA-UXHICEINSA-N 0 0 426.488 3.573 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000012927977 519710035 /nfs/dbraw/zinc/71/00/35/519710035.db2.gz RZHFYGOATMZPNY-UHFFFAOYSA-N 0 0 432.505 3.786 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000012382250 519713402 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519877291 /nfs/dbraw/zinc/87/72/91/519877291.db2.gz RAUUODVGTBJWAP-UHFFFAOYSA-N 0 0 425.510 3.730 50 0 IHAARN CCCNC(=O)[C@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)c2ccccc2O1 ZINC000012516951 519896779 /nfs/dbraw/zinc/89/67/79/519896779.db2.gz AEQGFRYYGHVUFQ-XMMPIXPASA-N 0 0 440.503 3.960 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccsc21 ZINC000020516452 519898978 /nfs/dbraw/zinc/89/89/78/519898978.db2.gz HFXLCKBUPWZVHV-UHFFFAOYSA-N 0 0 445.570 3.627 50 0 IHAARN CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O ZINC000023126706 519919296 /nfs/dbraw/zinc/91/92/96/519919296.db2.gz FWFLDMUUNGBUAP-UHFFFAOYSA-N 0 0 430.386 3.861 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000012686840 520078629 /nfs/dbraw/zinc/07/86/29/520078629.db2.gz QVDFWJAVPNPYAI-QHCPKHFHSA-N 0 0 439.519 3.732 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012776809 520354671 /nfs/dbraw/zinc/35/46/71/520354671.db2.gz IRCFYFKEFVJFGL-KRWDZBQOSA-N 0 0 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CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1O ZINC000012464188 520777075 /nfs/dbraw/zinc/77/70/75/520777075.db2.gz FFBMJIMMXPIMNS-KRWDZBQOSA-N 0 0 446.301 3.820 50 0 IHAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000020895783 520779764 /nfs/dbraw/zinc/77/97/64/520779764.db2.gz XBBYARMVPPTYLZ-FQEVSTJZSA-N 0 0 441.509 3.614 50 0 IHAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(C)c1 ZINC000020895780 520785094 /nfs/dbraw/zinc/78/50/94/520785094.db2.gz FKNPOAYXXIKCIE-HXUWFJFHSA-N 0 0 441.509 3.614 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc3ccc(C)c(C)c3nc2Cl)c1 ZINC000014851097 520789868 /nfs/dbraw/zinc/78/98/68/520789868.db2.gz DJJRGXYJXHYXAR-UHFFFAOYSA-N 0 0 433.961 3.746 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccccc2OC)c1 ZINC000015962050 520798063 /nfs/dbraw/zinc/79/80/63/520798063.db2.gz AXERKCSJIMADMN-UHFFFAOYSA-N 0 0 445.585 3.507 50 0 IHAARN CCOC(=O)COc1ccccc1C(=O)c1ccn2nc(-c3ccc(OC)cc3)cc2n1 ZINC000021729304 520807777 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CC1CCN(C(=O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 ZINC000016902586 520982654 /nfs/dbraw/zinc/98/26/54/520982654.db2.gz ZCHCTMBULVAMOO-FQEVSTJZSA-N 0 0 448.542 3.950 50 0 IHAARN CCOc1ccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)cc1 ZINC000021885803 520984262 /nfs/dbraw/zinc/98/42/62/520984262.db2.gz DRKCKODKTCABHC-UHFFFAOYSA-N 0 0 444.535 3.909 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 ZINC000033019144 520992668 /nfs/dbraw/zinc/99/26/68/520992668.db2.gz LRIVAQMZMLGWDU-LJQANCHMSA-N 0 0 429.524 3.814 50 0 IHAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(C)CC1)c1ccccc1S2 ZINC000020813317 520996162 /nfs/dbraw/zinc/99/61/62/520996162.db2.gz CTRALNDVXGSNGG-UHFFFAOYSA-N 0 0 426.542 3.632 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(CNC(=O)Cc3ccc(Cl)cc3)s2)CC1 ZINC000065031957 521029473 /nfs/dbraw/zinc/02/94/73/521029473.db2.gz MRJXAMIQTTYDEP-UHFFFAOYSA-N 0 0 426.991 3.681 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4cccc(C)c4)n3)c(C)nc12 ZINC000035924638 521034038 /nfs/dbraw/zinc/03/40/38/521034038.db2.gz FGSGLUDMRHTOLB-GOSISDBHSA-N 0 0 446.507 3.803 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012912382 521052163 /nfs/dbraw/zinc/05/21/63/521052163.db2.gz JULNGOQHZOUBRN-UHFFFAOYSA-N 0 0 428.554 3.613 50 0 IHAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1 ZINC000033297951 521195389 /nfs/dbraw/zinc/19/53/89/521195389.db2.gz OOVPCNRZTAMUPE-WQLSENKSSA-N 0 0 429.498 3.882 50 0 IHAARN CCOc1ccc([C@@H](CNC(=O)[C@@H](CC)c2ccccc2)N2CCOCC2)cc1OC ZINC000022785514 521228734 /nfs/dbraw/zinc/22/87/34/521228734.db2.gz OWOBSSLZEZCBMU-FCHUYYIVSA-N 0 0 426.557 3.777 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000012590459 521242735 /nfs/dbraw/zinc/24/27/35/521242735.db2.gz JBGONXHJWULGCR-QUCCMNQESA-N 0 0 448.610 3.911 50 0 IHAARN CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 ZINC000012879477 521295899 /nfs/dbraw/zinc/29/58/99/521295899.db2.gz TTWDEWVQRRKLHY-UHFFFAOYSA-N 0 0 440.754 3.866 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000021908332 521335776 /nfs/dbraw/zinc/33/57/76/521335776.db2.gz WGZBPBCBFPNRDS-UHFFFAOYSA-N 0 0 427.460 3.777 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000012814015 521346625 /nfs/dbraw/zinc/34/66/25/521346625.db2.gz LRCBFMWIOXPZLE-UHFFFAOYSA-N 0 0 433.549 3.732 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccccn2)C(=O)c2ccc(OC)cc2)c1C ZINC000036002251 521361264 /nfs/dbraw/zinc/36/12/64/521361264.db2.gz NMRGDDVIXAVYFR-UHFFFAOYSA-N 0 0 449.507 3.737 50 0 IHAARN CCCCn1c(CN(C)Cc2cnn(-c3ccccc3C)c2)cnc1S(=O)(=O)CC ZINC000012316360 521361702 /nfs/dbraw/zinc/36/17/02/521361702.db2.gz OCXZXHXZZLYMPB-UHFFFAOYSA-N 0 0 429.590 3.603 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CC2)C(=O)c2cccc(OC)c2)c1C ZINC000036003679 521363121 /nfs/dbraw/zinc/36/31/21/521363121.db2.gz ZCSUKWOUGIKMHP-MRXNPFEDSA-N 0 0 426.513 3.940 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000022083361 521367441 /nfs/dbraw/zinc/36/74/41/521367441.db2.gz HXOYYRBPOHEXLS-UZLBHIALSA-N 0 0 438.553 3.857 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(F)cc3)n2c2ccsc2c1=O ZINC000035531947 521378794 /nfs/dbraw/zinc/37/87/94/521378794.db2.gz TVWFIKFFAFYQIU-UHFFFAOYSA-N 0 0 431.518 3.776 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3cccc(C)c3)n2c2ccsc2c1=O ZINC000035531950 521379910 /nfs/dbraw/zinc/37/99/10/521379910.db2.gz GQFOHNJIFNPGHP-UHFFFAOYSA-N 0 0 427.555 3.945 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C ZINC000012905620 521380575 /nfs/dbraw/zinc/38/05/75/521380575.db2.gz UAMONVOTZIDRGL-UHFFFAOYSA-N 0 0 428.514 3.507 50 0 IHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1nc(-c2cccs2)oc1=O ZINC000021523469 521405267 /nfs/dbraw/zinc/40/52/67/521405267.db2.gz YDNKAAYRZITHPC-UHFFFAOYSA-N 0 0 435.527 3.640 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 ZINC000022634857 521428236 /nfs/dbraw/zinc/42/82/36/521428236.db2.gz JQGCPSNMGGMPJH-KRWDZBQOSA-N 0 0 427.545 3.988 50 0 IHAARN CCOc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000033161983 521449556 /nfs/dbraw/zinc/44/95/56/521449556.db2.gz ZIBHGHYRCSPPGB-WJDWOHSUSA-N 0 0 428.311 3.527 50 0 IHAARN CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(Br)c1 ZINC000012817122 521475138 /nfs/dbraw/zinc/47/51/38/521475138.db2.gz DXPCGQNITUCRGN-CQSZACIVSA-N 0 0 425.348 3.795 50 0 IHAARN CCOc1ccccc1NC(=O)CCc1nc2c(C)nn(-c3ccc(C)cc3)c2n(C)c1=O ZINC000015779867 521526434 /nfs/dbraw/zinc/52/64/34/521526434.db2.gz IKASKXNJOLIWRJ-UHFFFAOYSA-N 0 0 445.523 3.706 50 0 IHAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C1CC1 ZINC000035808116 521533898 /nfs/dbraw/zinc/53/38/98/521533898.db2.gz ORDUIMKVSRSXQL-UHFFFAOYSA-N 0 0 428.554 3.963 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2cc(-c3noc(C)n3)ccc2n(C(C)C)c1=O ZINC000033306877 521535479 /nfs/dbraw/zinc/53/54/79/521535479.db2.gz GGNYKZQBOOJKMM-UHFFFAOYSA-N 0 0 435.484 3.780 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccn3-c3cccnc3)CC2)c1 ZINC000035396955 521536607 /nfs/dbraw/zinc/53/66/07/521536607.db2.gz IFRBOKLBLWURMR-UHFFFAOYSA-N 0 0 446.507 3.540 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c1 ZINC000021660155 521543284 /nfs/dbraw/zinc/54/32/84/521543284.db2.gz SJVAIARCDVCNCW-UHFFFAOYSA-N 0 0 446.463 3.843 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)COc1c(C)cc(C)cc1C ZINC000022149982 521554541 /nfs/dbraw/zinc/55/45/41/521554541.db2.gz OQJLZAJCNIOLEN-UHFFFAOYSA-N 0 0 440.540 3.720 50 0 IHAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1 ZINC000015670282 521581602 /nfs/dbraw/zinc/58/16/02/521581602.db2.gz RBMNHRSQCAFUCC-SFHVURJKSA-N 0 0 426.480 3.906 50 0 IHAARN CCOc1ncccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1 ZINC000011665558 521615046 /nfs/dbraw/zinc/61/50/46/521615046.db2.gz PFFKSQBFKGGYQF-UHFFFAOYSA-N 0 0 437.463 3.899 50 0 IHAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)C3CCCC3)CC1)sc1c2CCCC1 ZINC000012322949 521615537 /nfs/dbraw/zinc/61/55/37/521615537.db2.gz HHXUJTBWASDNAP-UHFFFAOYSA-N 0 0 428.602 3.586 50 0 IHAARN CCOC(=O)c1sc2ncnc(OCC(=O)N[C@@H]3CCCc4ccccc43)c2c1C ZINC000002645453 521619725 /nfs/dbraw/zinc/61/97/25/521619725.db2.gz MXQKEDGSSQRQOA-MRXNPFEDSA-N 0 0 425.510 3.749 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000015943690 521694512 /nfs/dbraw/zinc/69/45/12/521694512.db2.gz OVBCCBRTWGXTLH-GASCZTMLSA-N 0 0 442.628 3.560 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000034927942 521703125 /nfs/dbraw/zinc/70/31/25/521703125.db2.gz LDMNPRBPMXAPNW-ZEQRLZLVSA-N 0 0 443.503 3.817 50 0 IHAARN CCOCCCN1C(=O)c2cc(-c3ccccc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021853883 521706006 /nfs/dbraw/zinc/70/60/06/521706006.db2.gz FWDVMSUBFQKZJT-SANMLTNESA-N 0 0 446.551 3.508 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021862137 521706223 /nfs/dbraw/zinc/70/62/23/521706223.db2.gz DDUATFHCOHFQLC-XMMPIXPASA-N 0 0 426.561 3.516 50 0 IHAARN CCN1C[C@@H](CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)Oc2ccccc21 ZINC000012543850 521727593 /nfs/dbraw/zinc/72/75/93/521727593.db2.gz OQXNJPZTSDAVEH-FAFRJYIDSA-N 0 0 442.604 3.690 50 0 IHAARN CCN1C[C@H](CN(C)Cn2nc(Cc3cccs3)n(C)c2=S)Oc2ccccc21 ZINC000012544078 521729936 /nfs/dbraw/zinc/72/99/36/521729936.db2.gz HNEFJRNQACCBGA-INIZCTEOSA-N 0 0 429.615 3.780 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1ccc(F)c(F)c1)C[C@H]1CSCN12 ZINC000035340163 521731210 /nfs/dbraw/zinc/73/12/10/521731210.db2.gz BBPLGQFSINLKDF-DDVAMESESA-N 0 0 429.492 3.560 50 0 biogenic IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(F)c(F)c1)C[C@H]1CSCN12 ZINC000035340168 521731223 /nfs/dbraw/zinc/73/12/23/521731223.db2.gz BBPLGQFSINLKDF-PGKMIFDNSA-N 0 0 429.492 3.560 50 0 biogenic IHAARN CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000033058995 521733725 /nfs/dbraw/zinc/73/37/25/521733725.db2.gz SURQZIFVFIEDAY-BQYQJAHWSA-N 0 0 445.585 3.615 50 0 IHAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC)cc3OC)c2)C1 ZINC000033264148 521739570 /nfs/dbraw/zinc/73/95/70/521739570.db2.gz VOOOVPMAJINWKP-FQEVSTJZSA-N 0 0 425.529 3.543 50 0 IHAARN CCNC(=O)NC(=O)[C@H](C)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000020983572 521742339 /nfs/dbraw/zinc/74/23/39/521742339.db2.gz OEWKPVAAJHAVMZ-RVAQLADHSA-N 0 0 440.500 3.537 50 0 IHAARN CCSc1nnc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc21 ZINC000036006953 521792219 /nfs/dbraw/zinc/79/22/19/521792219.db2.gz XVXLFBNPNODFAZ-UHFFFAOYSA-N 0 0 442.610 3.653 50 0 IHAARN CCc1cccc2c([C@@H](CC(=O)NCCN3CCOCC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910547 521794028 /nfs/dbraw/zinc/79/40/28/521794028.db2.gz PDXWMUYTOALPHC-NRFANRHFSA-N 0 0 441.522 3.979 50 0 IHAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000012760524 521811561 /nfs/dbraw/zinc/81/15/61/521811561.db2.gz KSYSWODTZVOVFU-UHFFFAOYSA-N 0 0 426.538 3.956 50 0 IHAARN COC(=O)c1cc(CNC(=O)c2cc(C(C)C)n[nH]2)cc(NC(=O)C2CCCCC2)c1 ZINC000012241515 521854895 /nfs/dbraw/zinc/85/48/95/521854895.db2.gz OWSDKLDQHSNQJA-UHFFFAOYSA-N 0 0 426.517 3.769 50 0 IHAARN COC(=O)c1cc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)cc(C(=O)OC)c1 ZINC000012773540 521877340 /nfs/dbraw/zinc/87/73/40/521877340.db2.gz ZCIWCHKPCRCRJP-SFESLNEESA-N 0 0 435.567 3.811 50 0 IHAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532876 521878797 /nfs/dbraw/zinc/87/87/97/521878797.db2.gz WIMPURHVGZHGGX-UHFFFAOYSA-N 0 0 431.612 3.933 50 0 IHAARN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000012818825 521906162 /nfs/dbraw/zinc/90/61/62/521906162.db2.gz WXQIICBMLJQGAN-UHFFFAOYSA-N 0 0 443.352 3.829 50 0 IHAARN COc1cc(/C=C(\C(=O)OCC(N)=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000034760710 521923734 /nfs/dbraw/zinc/92/37/34/521923734.db2.gz JQNLGAYBQABJGO-BKUYFWCQSA-N 0 0 447.487 3.949 50 0 IHAARN COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)c2cc(C)nn2C)C3)cc1 ZINC000012123687 521924392 /nfs/dbraw/zinc/92/43/92/521924392.db2.gz WIQDIWIXUBJYAT-GOSISDBHSA-N 0 0 439.899 3.569 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1cccs1)CC2 ZINC000036026575 521988939 /nfs/dbraw/zinc/98/89/39/521988939.db2.gz VCGBHBVGUQPSAT-QUCCMNQESA-N 0 0 425.598 3.770 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012906805 521995926 /nfs/dbraw/zinc/99/59/26/521995926.db2.gz PSEVUPSBJSTSFR-LJQANCHMSA-N 0 0 432.592 3.848 50 0 IHAARN COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1O ZINC000012446777 522009659 /nfs/dbraw/zinc/00/96/59/522009659.db2.gz LOCNOJNUJYHWFV-LZYBPNLTSA-N 0 0 431.311 3.550 50 0 IHAARN CC[C@H](C)[C@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036019806 522012023 /nfs/dbraw/zinc/01/20/23/522012023.db2.gz PUDVEDBQWXXNSW-HTAPYJJXSA-N 0 0 441.522 3.944 50 0 IHAARN COCCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000009666109 522060987 /nfs/dbraw/zinc/06/09/87/522060987.db2.gz AZYNDLVIPNJFHD-VAWYXSNFSA-N 0 0 435.524 3.993 50 0 IHAARN COC(=O)c1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000012292540 522270343 /nfs/dbraw/zinc/27/03/43/522270343.db2.gz FJAOPEFDKHYOFO-UHFFFAOYSA-N 0 0 438.480 3.643 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1CC(C)C ZINC000012382413 522275170 /nfs/dbraw/zinc/27/51/70/522275170.db2.gz UXINIQXXZMYJGX-UHFFFAOYSA-N 0 0 425.514 3.514 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089220 522282883 /nfs/dbraw/zinc/28/28/83/522282883.db2.gz RUYSPHVVODAJMH-NSHDSACASA-N 0 0 441.281 3.920 50 0 IHAARN CN(C)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012373496 522288738 /nfs/dbraw/zinc/28/87/38/522288738.db2.gz YKWDURHXOUWVID-UHFFFAOYSA-N 0 0 435.503 3.818 50 0 IHAARN COc1cc(CC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc(OC)c1OC ZINC000022472592 522321125 /nfs/dbraw/zinc/32/11/25/522321125.db2.gz NYDGNZLZRQWOTB-UHFFFAOYSA-N 0 0 438.456 3.917 50 0 IHAARN COc1cc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1OC(F)F ZINC000015030606 522408021 /nfs/dbraw/zinc/40/80/21/522408021.db2.gz FCELSSWNNCRTRH-UHFFFAOYSA-N 0 0 436.430 3.604 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)Cc1cc2c(cc1Br)OCCO2 ZINC000012751712 522519573 /nfs/dbraw/zinc/51/95/73/522519573.db2.gz AOAGDIMKLHIEOF-UHFFFAOYSA-N 0 0 425.710 3.944 50 0 IHAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1 ZINC000016406188 522711796 /nfs/dbraw/zinc/71/17/96/522711796.db2.gz VAEFDCZWFQCNLK-ZDUSSCGKSA-N 0 0 428.407 3.868 50 0 IHAARN COCC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)Cc1ccc(F)cc1 ZINC000036012459 522734302 /nfs/dbraw/zinc/73/43/02/522734302.db2.gz ZFTPTCILNYLAEV-UHFFFAOYSA-N 0 0 444.459 3.682 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)cc1Cl ZINC000012791207 522795960 /nfs/dbraw/zinc/79/59/60/522795960.db2.gz QIICYWLCSVETAA-GFCCVEGCSA-N 0 0 445.928 3.983 50 0 IHAARN COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)CCC1CCCCC1)C(F)(F)F ZINC000012402655 522865649 /nfs/dbraw/zinc/86/56/49/522865649.db2.gz SMEQCCPAGPVKSA-OAQYLSRUSA-N 0 0 444.494 3.996 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)cc1F ZINC000012823117 522869143 /nfs/dbraw/zinc/86/91/43/522869143.db2.gz NADLMXAYEGHCPY-IBGZPJMESA-N 0 0 432.448 3.619 50 0 IHAARN COCc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000012038556 522898389 /nfs/dbraw/zinc/89/83/89/522898389.db2.gz JNIKBAPWKVZAMZ-UHFFFAOYSA-N 0 0 447.470 3.553 50 0 IHAARN COC(=O)C1=CN(c2ccc(F)c(F)c2)C=C(C(=O)OC)C1c1cc(OC)ccc1OC ZINC000001140649 522899905 /nfs/dbraw/zinc/89/99/05/522899905.db2.gz XMXJHJXFLZFTAT-UHFFFAOYSA-N 0 0 445.418 3.700 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4Cl)C3)c12 ZINC000021881488 522923241 /nfs/dbraw/zinc/92/32/41/522923241.db2.gz RUYNZJIEPVAWOT-MRXNPFEDSA-N 0 0 427.936 3.717 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)ccc1O ZINC000015670094 522923579 /nfs/dbraw/zinc/92/35/79/522923579.db2.gz ZUFXOZLZDUGUTI-KRWDZBQOSA-N 0 0 442.479 3.529 50 0 IHAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1O ZINC000020892726 522931764 /nfs/dbraw/zinc/93/17/64/522931764.db2.gz VEYDERVSBIGCMY-NRFANRHFSA-N 0 0 425.510 3.987 50 0 IHAARN COCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000015068677 522949122 /nfs/dbraw/zinc/94/91/22/522949122.db2.gz CWINGFFDEHIOAC-SFHVURJKSA-N 0 0 440.525 3.886 50 0 IHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000041085700 523056782 /nfs/dbraw/zinc/05/67/82/523056782.db2.gz JNCPPRZTQJXLTK-OAQYLSRUSA-N 0 0 433.464 3.971 50 0 IHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nn2c(nnc2-c2ccc(OC)c(OC)c2)s1 ZINC000020486606 523057369 /nfs/dbraw/zinc/05/73/69/523057369.db2.gz ZZSZCSCVWGVSAL-OAHLLOKOSA-N 0 0 439.497 3.666 50 0 IHAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000012825075 523109714 /nfs/dbraw/zinc/10/97/14/523109714.db2.gz IKPJRKROBTWAMA-UHFFFAOYSA-N 0 0 437.930 3.633 50 0 IHAARN CCn1c(C)c(C(=O)[C@H](C)N(C(=O)c2cccc(OC)c2)C2CC2)c(C)c1C(=O)OC ZINC000036025536 523122407 /nfs/dbraw/zinc/12/24/07/523122407.db2.gz WIMCMMBCMZTTRE-INIZCTEOSA-N 0 0 426.513 3.796 50 0 IHAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC ZINC000020724249 523122591 /nfs/dbraw/zinc/12/25/91/523122591.db2.gz QFLHRTJCPKEDDZ-SFHVURJKSA-N 0 0 434.452 3.941 50 0 IHAARN CCn1c(C)c(C(=O)[C@@H](C)N(CC(C)C)S(=O)(=O)c2ccccc2)c(C)c1C(=O)OC ZINC000036025778 523123558 /nfs/dbraw/zinc/12/35/58/523123558.db2.gz MLPBOLUOXBCHCG-GOSISDBHSA-N 0 0 448.585 3.830 50 0 IHAARN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C ZINC000012794734 523130808 /nfs/dbraw/zinc/13/08/08/523130808.db2.gz WLAIDNINWKUUQX-UHFFFAOYSA-N 0 0 444.384 3.578 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000035685347 523153992 /nfs/dbraw/zinc/15/39/92/523153992.db2.gz SMDNWEVMBAEECO-GOSISDBHSA-N 0 0 434.452 3.941 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCCC(C)C)cc1OC ZINC000033268908 523155761 /nfs/dbraw/zinc/15/57/61/523155761.db2.gz MHSWCQQBBWFJAH-UHFFFAOYSA-N 0 0 428.558 3.976 50 0 IHAARN COc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)cc1F ZINC000012776329 523167144 /nfs/dbraw/zinc/16/71/44/523167144.db2.gz HBDDNVXLJCRYJU-UHFFFAOYSA-N 0 0 444.513 3.985 50 0 IHAARN COc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4ccc(F)cc4)nc32)cc1 ZINC000021775083 523168894 /nfs/dbraw/zinc/16/88/94/523168894.db2.gz YWXMYLROVWICGK-UHFFFAOYSA-N 0 0 449.467 3.559 50 0 IHAARN COc1ccc(-c2csc3c2ncn(CC(=O)N2CCOc4ccc(C)cc42)c3=O)cc1 ZINC000035562107 523169269 /nfs/dbraw/zinc/16/92/69/523169269.db2.gz LQKJIRVYALFWND-UHFFFAOYSA-N 0 0 447.516 3.868 50 0 IHAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NCCNC(=O)c2ccc(C)cc2)n1 ZINC000036024917 523213633 /nfs/dbraw/zinc/21/36/33/523213633.db2.gz WJWMXPSTJGCVAM-UHFFFAOYSA-N 0 0 444.539 3.729 50 0 IHAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000012922312 523220768 /nfs/dbraw/zinc/22/07/68/523220768.db2.gz JYPKYILTMCTZPS-UHFFFAOYSA-N 0 0 427.353 3.978 50 0 IHAARN COc1ccc(-c2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)sc2C)cc1 ZINC000018081203 523222493 /nfs/dbraw/zinc/22/24/93/523222493.db2.gz UCSNSZLIKZWWIS-UHFFFAOYSA-N 0 0 428.539 3.892 50 0 IHAARN COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)s1 ZINC000021524748 523253159 /nfs/dbraw/zinc/25/31/59/523253159.db2.gz JIJWGFKQRFXIPE-UHFFFAOYSA-N 0 0 437.481 3.727 50 0 IHAARN COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1 ZINC000012735931 523280072 /nfs/dbraw/zinc/28/00/72/523280072.db2.gz NYCOLFWMQLPRMC-CQSZACIVSA-N 0 0 432.723 3.685 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1OC ZINC000012654636 523285187 /nfs/dbraw/zinc/28/51/87/523285187.db2.gz ZBKDBDGXRBEOOR-ZDUSSCGKSA-N 0 0 431.876 3.833 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Br)cc3)n2)cc1 ZINC000012654543 523285425 /nfs/dbraw/zinc/28/54/25/523285425.db2.gz PTEXSKLQQXFAHD-UHFFFAOYSA-N 0 0 432.274 3.545 50 0 IHAARN COCCCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000035405876 523292491 /nfs/dbraw/zinc/29/24/91/523292491.db2.gz UZOGQDRSPAGJLT-QFIPXVFZSA-N 0 0 445.972 3.924 50 0 IHAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)cn1 ZINC000020603748 523299730 /nfs/dbraw/zinc/29/97/30/523299730.db2.gz LFQFAYNSRZJLKO-LLVKDONJSA-N 0 0 425.436 3.535 50 0 IHAARN CCn1cc(C(=O)N2CCC(Oc3ccc(C(=O)NCCc4ccccc4)cc3)CC2)cn1 ZINC000012439551 523328885 /nfs/dbraw/zinc/32/88/85/523328885.db2.gz JTHHOXBJEMHIDE-UHFFFAOYSA-N 0 0 446.551 3.559 50 0 IHAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cnn(C(F)F)c2C)c(C)n1 ZINC000020608171 523368945 /nfs/dbraw/zinc/36/89/45/523368945.db2.gz FYQTYNZZHFUULW-UHFFFAOYSA-N 0 0 441.479 3.642 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000015011149 523397329 /nfs/dbraw/zinc/39/73/29/523397329.db2.gz ZNQLDWRSKIOSIT-PKNBQFBNSA-N 0 0 436.480 3.800 50 0 IHAARN COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 ZINC000020736399 523412108 /nfs/dbraw/zinc/41/21/08/523412108.db2.gz XDDFSMNYEPHRGH-OEAKJJBVSA-N 0 0 432.451 3.917 50 0 IHAARN COc1ccc(C=CC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1OC ZINC000012126225 523428954 /nfs/dbraw/zinc/42/89/54/523428954.db2.gz HJNBYFVYKAZCET-POHAHGRESA-N 0 0 449.511 3.626 50 0 IHAARN COc1ccc(/C=C\C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 ZINC000033499332 523431807 /nfs/dbraw/zinc/43/18/07/523431807.db2.gz HEVWECDDKPJKTI-XQRVVYSFSA-N 0 0 444.793 3.966 50 0 IHAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)c(OC)c1 ZINC000012706075 523471439 /nfs/dbraw/zinc/47/14/39/523471439.db2.gz CWZKGDIFKFYGIE-HIDBMEOHSA-N 0 0 438.480 3.600 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccccc4)CC3)ccc21 ZINC000021938896 523496883 /nfs/dbraw/zinc/49/68/83/523496883.db2.gz WTHVAOIKEFHYLS-UHFFFAOYSA-N 0 0 426.542 3.590 50 0 IHAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000012300449 523507112 /nfs/dbraw/zinc/50/71/12/523507112.db2.gz RWQJYFAKZSSULM-UHFFFAOYSA-N 0 0 438.532 3.589 50 0 IHAARN CO[C@@H](c1ccc2c(c1)CN(C(=O)c1ccc(-n3cnnn3)cc1)CCO2)C1CCCCC1 ZINC000012098803 523548593 /nfs/dbraw/zinc/54/85/93/523548593.db2.gz SJECJEIINPUPTG-XMMPIXPASA-N 0 0 447.539 3.965 50 0 IHAARN COCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000016652828 523645309 /nfs/dbraw/zinc/64/53/09/523645309.db2.gz QCXFWVFTZKHTHC-UHFFFAOYSA-N 0 0 442.462 3.875 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035948088 523652933 /nfs/dbraw/zinc/65/29/33/523652933.db2.gz XZYVOVVMCQJVSS-HSZRJFAPSA-N 0 0 437.515 3.697 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)C1CCC1 ZINC000035948343 523655197 /nfs/dbraw/zinc/65/51/97/523655197.db2.gz MHICIFXLHGOVBX-FQEVSTJZSA-N 0 0 443.544 3.840 50 0 IHAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000021236546 523689762 /nfs/dbraw/zinc/68/97/62/523689762.db2.gz IAARDAWMKFTSSJ-UHFFFAOYSA-N 0 0 448.475 3.708 50 0 IHAARN CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=S)Nc1cccc(Cl)c1)CC2 ZINC000036027086 523726750 /nfs/dbraw/zinc/72/67/50/523726750.db2.gz QAIDZNJMAPQWBR-IBGZPJMESA-N 0 0 428.989 3.502 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)COC ZINC000035976768 523738059 /nfs/dbraw/zinc/73/80/59/523738059.db2.gz FQXKHPIUXJZMAF-UHFFFAOYSA-N 0 0 439.512 3.603 50 0 IHAARN COCCN(Cc1cc(-c2ccc(OC)cc2OC)on1)C(=O)c1ccc(OC)cc1 ZINC000036001778 523740337 /nfs/dbraw/zinc/74/03/37/523740337.db2.gz WXBKGXRGDFIKAE-UHFFFAOYSA-N 0 0 426.469 3.656 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc2)cc1 ZINC000021632912 523747592 /nfs/dbraw/zinc/74/75/92/523747592.db2.gz MJNDYPJZZXKQSE-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(C)cc1 ZINC000041089523 523772639 /nfs/dbraw/zinc/77/26/39/523772639.db2.gz QZLVHZQZJKHDJS-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1F)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563818 523785651 /nfs/dbraw/zinc/78/56/51/523785651.db2.gz FVRNYIPNWVKTDL-OAQYLSRUSA-N 0 0 447.514 3.914 50 0 IHAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc21 ZINC000020743869 523798530 /nfs/dbraw/zinc/79/85/30/523798530.db2.gz UKTCHFCGZYBANV-UHFFFAOYSA-N 0 0 425.554 3.901 50 0 IHAARN CC[C@H](C)C(=O)C(=O)N1CCC([C@H](Cc2cccc(OC)c2)N(C)C(=O)CC(C)C)CC1 ZINC000012167501 523822592 /nfs/dbraw/zinc/82/25/92/523822592.db2.gz KALJWKGLFLLJNZ-CVDCTZTESA-N 0 0 444.616 3.965 50 0 IHAARN COc1ccc(C2(C(=O)N3CCCN(Cc4noc(-c5ccccc5)n4)CC3)CC2)cc1 ZINC000021725182 523865334 /nfs/dbraw/zinc/86/53/34/523865334.db2.gz PHRBTXHMRVPBQM-UHFFFAOYSA-N 0 0 432.524 3.511 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960497 523875732 /nfs/dbraw/zinc/87/57/32/523875732.db2.gz ICCJABHQSZDWRL-NRFANRHFSA-N 0 0 425.916 3.895 50 0 IHAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3ncn(Cc4ccc(Cl)cc4Cl)n3)C2)cc1 ZINC000020601990 523880205 /nfs/dbraw/zinc/88/02/05/523880205.db2.gz JUPWFTBLRAPIRE-GOSISDBHSA-N 0 0 446.294 3.774 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3c(C)cccc3CC)S2(=O)=O)cc1 ZINC000035534719 523902242 /nfs/dbraw/zinc/90/22/42/523902242.db2.gz QUQBNHQEBJQBGZ-UHFFFAOYSA-N 0 0 426.538 3.662 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)cc1 ZINC000033299425 523908163 /nfs/dbraw/zinc/90/81/63/523908163.db2.gz BJKFBSZIFPRJDC-UHFFFAOYSA-N 0 0 434.521 3.954 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1F ZINC000015092247 523909913 /nfs/dbraw/zinc/90/99/13/523909913.db2.gz PQYRXOPWDAQGTM-HZPDHXFCSA-N 0 0 434.533 3.682 50 0 IHAARN COCCNC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036009587 523912104 /nfs/dbraw/zinc/91/21/04/523912104.db2.gz FXRPDXDFIQWUSU-HNNXBMFYSA-N 0 0 443.356 3.561 50 0 IHAARN CCc1ccc(CN(C(=O)c2cc(-c3cccs3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000021524163 523917294 /nfs/dbraw/zinc/91/72/94/523917294.db2.gz FEQKZIOQISBBQL-QGZVFWFLSA-N 0 0 430.551 3.795 50 0 IHAARN CN(C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1)[C@H]1CCCc2ccccc21 ZINC000012431324 523918721 /nfs/dbraw/zinc/91/87/21/523918721.db2.gz JLZVAZWVAQYJJV-QHCPKHFHSA-N 0 0 429.480 3.984 50 0 IHAARN COc1ccc(CCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000012865714 523932752 /nfs/dbraw/zinc/93/27/52/523932752.db2.gz QSCLPCUMQVFAQD-UHFFFAOYSA-N 0 0 433.448 3.856 50 0 IHAARN CCc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000020563302 523936545 /nfs/dbraw/zinc/93/65/45/523936545.db2.gz QZCNQASWFGZGQD-GOSISDBHSA-N 0 0 429.524 3.639 50 0 IHAARN COc1ccc(CCN(C)C(=O)COc2ccc(F)cc2Br)cc1OC ZINC000012881953 523939546 /nfs/dbraw/zinc/93/95/46/523939546.db2.gz DCYYAUQYOTXLCQ-UHFFFAOYSA-N 0 0 426.282 3.685 50 0 IHAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)CC)c1)C(=O)c1ccc(OC)cc1OC ZINC000035770080 523942555 /nfs/dbraw/zinc/94/25/55/523942555.db2.gz NMMJXQIQRIBIGP-INIZCTEOSA-N 0 0 435.542 3.873 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600984 523964986 /nfs/dbraw/zinc/96/49/86/523964986.db2.gz RHMWNJIFCCSWJF-PGRDOPGGSA-N 0 0 436.943 3.895 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(=O)n(CCc3c[nH]c4ccccc34)c2)cc1OC ZINC000012893150 523969317 /nfs/dbraw/zinc/96/93/17/523969317.db2.gz RNZBBZPSHKLVDB-UHFFFAOYSA-N 0 0 445.519 3.562 50 0 biogenic IHAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1OC ZINC000020580468 523976035 /nfs/dbraw/zinc/97/60/35/523976035.db2.gz CDFFIQJWSWFHDT-UHFFFAOYSA-N 0 0 430.526 3.805 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@H]12 ZINC000035871260 523996443 /nfs/dbraw/zinc/99/64/43/523996443.db2.gz MABHRRZESVNLRZ-ZAAXVRCTSA-N 0 0 432.490 3.883 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1 ZINC000012875028 523999199 /nfs/dbraw/zinc/99/91/99/523999199.db2.gz CGYXSTLXJKZYQJ-QHCPKHFHSA-N 0 0 432.520 3.704 50 0 IHAARN CCc1ccc(OC[C@@H](O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000012549743 524006797 /nfs/dbraw/zinc/00/67/97/524006797.db2.gz FUQNPAUXQYXOGU-NRFANRHFSA-N 0 0 429.520 3.969 50 0 IHAARN COc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021781087 524022031 /nfs/dbraw/zinc/02/20/31/524022031.db2.gz ZBYOXFRVGYOZRN-VWLOTQADSA-N 0 0 434.540 3.622 50 0 IHAARN COc1ccc(CN2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 ZINC000022810272 524031952 /nfs/dbraw/zinc/03/19/52/524031952.db2.gz NHOICLAGYRZMSI-LJQANCHMSA-N 0 0 425.598 3.730 50 0 IHAARN CCc1cccc(C)c1NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000018031288 524063444 /nfs/dbraw/zinc/06/34/44/524063444.db2.gz NFDKDDVKTAZLEC-UHFFFAOYSA-N 0 0 439.899 3.861 50 0 IHAARN Cc1ccc2oc(SCC(=O)Nc3ccc(I)cc3)nc2n1 ZINC000015867852 524095783 /nfs/dbraw/zinc/09/57/83/524095783.db2.gz ASSYNISCOZOIKK-UHFFFAOYSA-N 0 0 425.251 3.867 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054393 524119605 /nfs/dbraw/zinc/11/96/05/524119605.db2.gz LKUMHUIHKRHRLC-SFTDATJTSA-N 0 0 442.531 3.747 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054224 524123159 /nfs/dbraw/zinc/12/31/59/524123159.db2.gz BAPIGDJANZMSDK-VQTJNVASSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NCc3ncccc3C)CCC(=O)N2)c2ccccc12 ZINC000012247606 524144348 /nfs/dbraw/zinc/14/43/48/524144348.db2.gz IJAXNASBMIIWJX-AREMUKBSSA-N 0 0 431.536 3.840 50 0 IHAARN Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000012627294 524145335 /nfs/dbraw/zinc/14/53/35/524145335.db2.gz XGIIHDVXWVVIRL-INIZCTEOSA-N 0 0 444.582 3.550 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCCC2)O3)c1 ZINC000020603036 524162071 /nfs/dbraw/zinc/16/20/71/524162071.db2.gz HCKBJPACJMNRMA-JOCHJYFZSA-N 0 0 444.553 3.647 50 0 IHAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)Cn1nccc1C)C2 ZINC000011995403 524188670 /nfs/dbraw/zinc/18/86/70/524188670.db2.gz ODVAGRHNNAYEFC-UHFFFAOYSA-N 0 0 441.915 3.950 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 ZINC000020614924 524193058 /nfs/dbraw/zinc/19/30/58/524193058.db2.gz GCJHFRFBBKZWEU-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)N4CCC[C@@H](C)C4)c3c2=O)cc1 ZINC000035399716 524263446 /nfs/dbraw/zinc/26/34/46/524263446.db2.gz GXAITXMQAQOZAK-GOSISDBHSA-N 0 0 444.535 3.667 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2CCCC[C@@H]2C(=O)NCc2ccc(F)cc2)no1 ZINC000036001424 524265476 /nfs/dbraw/zinc/26/54/76/524265476.db2.gz DDPNDHXNTUBDLI-HXUWFJFHSA-N 0 0 437.471 3.800 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nnc(-c3ccncc3)o2)no1 ZINC000021355685 524270040 /nfs/dbraw/zinc/27/00/40/524270040.db2.gz RZHGGALDJAQQPE-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCC(C(N)=O)CC1 ZINC000021798238 524303526 /nfs/dbraw/zinc/30/35/26/524303526.db2.gz UXAQTGCAFOZTTH-UHFFFAOYSA-N 0 0 427.508 3.798 50 0 IHAARN Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000021894577 524307094 /nfs/dbraw/zinc/30/70/94/524307094.db2.gz VJHRGBNLZBSBMU-UHFFFAOYSA-N 0 0 428.554 3.734 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCc4ccccc43)CC2)c(C)c1 ZINC000012921368 524315453 /nfs/dbraw/zinc/31/54/53/524315453.db2.gz SHCHKZSIXCKESD-QFIPXVFZSA-N 0 0 426.582 3.816 50 0 IHAARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O ZINC000020622753 524354169 /nfs/dbraw/zinc/35/41/69/524354169.db2.gz GVVJGAIVRUEBDZ-JOCHJYFZSA-N 0 0 445.441 3.915 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000012547469 524358468 /nfs/dbraw/zinc/35/84/68/524358468.db2.gz KELDMIDTGAOFSH-UHFFFAOYSA-N 0 0 426.567 3.797 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2nc(C)ccc2c1=O ZINC000021151521 524362418 /nfs/dbraw/zinc/36/24/18/524362418.db2.gz ZDKINIPJRWKGCH-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@H](c3ccco3)N(C)C)C2=O)cc1 ZINC000020663689 524399900 /nfs/dbraw/zinc/39/99/00/524399900.db2.gz MGJWVFPJOAXKIJ-PHCAOYFPSA-N 0 0 431.492 3.709 50 0 IHAARN C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c2ccccc2S1 ZINC000012689495 524454336 /nfs/dbraw/zinc/45/43/36/524454336.db2.gz SFMNJRACYXKPQJ-OAHLLOKOSA-N 0 0 449.511 3.639 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000843068 524490751 /nfs/dbraw/zinc/49/07/51/524490751.db2.gz YBHAFUVMTBQPKC-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000001061721 524500463 /nfs/dbraw/zinc/50/04/63/524500463.db2.gz CPROFXOHTOINPG-UHFFFAOYSA-N 0 0 430.487 3.534 50 0 IHAARN COc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 ZINC000021657123 524511642 /nfs/dbraw/zinc/51/16/42/524511642.db2.gz PAODZZQCLAWHDL-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN Cc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)c1 ZINC000020573909 524534041 /nfs/dbraw/zinc/53/40/41/524534041.db2.gz PXYCTXJRAISJPF-RUZDIDTESA-N 0 0 443.528 3.913 50 0 IHAARN COc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(C)cc5)c4ncn3c2=O)cc1 ZINC000021705190 524534504 /nfs/dbraw/zinc/53/45/04/524534504.db2.gz SVSBQEZAIGHEEL-UHFFFAOYSA-N 0 0 445.504 3.728 50 0 IHAARN COc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)cc1OC ZINC000035530348 524540920 /nfs/dbraw/zinc/54/09/20/524540920.db2.gz XLQUCXFQMGINAS-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nc5cccnc5s4)CC3)C[C@H]2C)c1 ZINC000020996243 524543860 /nfs/dbraw/zinc/54/38/60/524543860.db2.gz JLOBTPQYCWPJKV-GOSISDBHSA-N 0 0 435.597 3.953 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1OC ZINC000033258224 524549545 /nfs/dbraw/zinc/54/95/45/524549545.db2.gz KDPCUOVCFUOOLF-UHFFFAOYSA-N 0 0 449.511 3.985 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)NCCC(C)C)CC2)c1C ZINC000021657099 524562760 /nfs/dbraw/zinc/56/27/60/524562760.db2.gz BFSNIWUBAAXAGW-UHFFFAOYSA-N 0 0 427.618 3.674 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)o1 ZINC000035458950 524563439 /nfs/dbraw/zinc/56/34/39/524563439.db2.gz RFAPXNNZMLTFNC-QHCPKHFHSA-N 0 0 443.503 3.669 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)o2)c1C ZINC000022766731 524590541 /nfs/dbraw/zinc/59/05/41/524590541.db2.gz JICNVSMHFYFPAP-HNNXBMFYSA-N 0 0 435.318 3.919 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000012794834 524593088 /nfs/dbraw/zinc/59/30/88/524593088.db2.gz DYLNSDHJLAVFQZ-UHFFFAOYSA-N 0 0 441.959 3.703 50 0 IHAARN COc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000009659176 524605214 /nfs/dbraw/zinc/60/52/14/524605214.db2.gz ZAAHJNVCPNGRIU-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(F)cc3)c2=O)c1 ZINC000012140761 524608841 /nfs/dbraw/zinc/60/88/41/524608841.db2.gz VHPABYWFZRRIFI-UHFFFAOYSA-N 0 0 443.434 3.985 50 0 IHAARN COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC ZINC000015883359 524629870 /nfs/dbraw/zinc/62/98/70/524629870.db2.gz OEYMDKMZMZSJGT-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000015880609 524670380 /nfs/dbraw/zinc/67/03/80/524670380.db2.gz SNIRIYQXLIUWDB-UHFFFAOYSA-N 0 0 439.497 3.935 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531271 524820286 /nfs/dbraw/zinc/82/02/86/524820286.db2.gz UGPJEAKDNHKDEZ-XMMPIXPASA-N 0 0 444.531 3.630 50 0 IHAARN Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000012785277 524868982 /nfs/dbraw/zinc/86/89/82/524868982.db2.gz OQNQZGAGQGPSRA-UHFFFAOYSA-N 0 0 447.315 3.714 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012746391 524893412 /nfs/dbraw/zinc/89/34/12/524893412.db2.gz FCWFHARBTLZPSA-SFHVURJKSA-N 0 0 436.430 3.816 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCCC(C)C)c1 ZINC000036045591 524897372 /nfs/dbraw/zinc/89/73/72/524897372.db2.gz GSSBUJIKLYNSLF-SFTDATJTSA-N 0 0 442.531 3.861 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059494 524917118 /nfs/dbraw/zinc/91/71/18/524917118.db2.gz IGWOIJWYNHPZJK-YADHBBJMSA-N 0 0 448.519 3.811 50 0 IHAARN C[C@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl ZINC000012820726 524951965 /nfs/dbraw/zinc/95/19/65/524951965.db2.gz VPDJIJJQOOWXRV-INIZCTEOSA-N 0 0 442.943 3.883 50 0 IHAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Br)o3)CC2=O)cc1 ZINC000021778051 524981765 /nfs/dbraw/zinc/98/17/65/524981765.db2.gz MJMDAUOJWBEFBP-ZDUSSCGKSA-N 0 0 441.285 3.913 50 0 IHAARN Cc1ccc(N2C[C@@H](NC(=O)N3CCn4cccc4[C@@H]3c3ccccc3F)CC2=O)cc1 ZINC000012361877 524982661 /nfs/dbraw/zinc/98/26/61/524982661.db2.gz KWTOAWSCGSSQQM-UUOWRZLLSA-N 0 0 432.499 3.856 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nnc(-c3cccnc3)o2)no1 ZINC000021721847 524989525 /nfs/dbraw/zinc/98/95/25/524989525.db2.gz KKERJFPDNLLOKO-UHFFFAOYSA-N 0 0 440.460 3.826 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2cccc(OC)c2)cc1 ZINC000033141758 525008352 /nfs/dbraw/zinc/00/83/52/525008352.db2.gz RPKWPHRBKQDJAJ-UHFFFAOYSA-N 0 0 446.550 3.520 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@H](C)O1 ZINC000022302111 525027853 /nfs/dbraw/zinc/02/78/53/525027853.db2.gz GGOLRGZAHBNXFS-OKILXGFUSA-N 0 0 432.571 3.517 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@@H](C)O1 ZINC000012778388 525028833 /nfs/dbraw/zinc/02/88/33/525028833.db2.gz CUKXQQBGRAJYOS-HUUCEWRRSA-N 0 0 430.574 3.989 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CSc1nnc(N)s1 ZINC000012456844 525033280 /nfs/dbraw/zinc/03/32/80/525033280.db2.gz JKJFMXSSWSUUJW-CQSZACIVSA-N 0 0 428.587 3.536 50 0 IHAARN Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1ccc(C(F)(F)F)cc1)c2=O ZINC000012237638 525033358 /nfs/dbraw/zinc/03/33/58/525033358.db2.gz MDYZHAYYRYRXHZ-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc(C)c(C)s1 ZINC000021359815 525044363 /nfs/dbraw/zinc/04/43/63/525044363.db2.gz HRXZEQWZUBWJGZ-UHFFFAOYSA-N 0 0 443.550 3.772 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@H](C)O1 ZINC000012538195 525053225 /nfs/dbraw/zinc/05/32/25/525053225.db2.gz NJJCRJPTFSTEGG-BETUJISGSA-N 0 0 426.897 3.529 50 0 IHAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@@H](C)OC12CC3CC(CC(C3)C1)C2 ZINC000012445969 525064769 /nfs/dbraw/zinc/06/47/69/525064769.db2.gz HMPSVTMBINGFJC-OQOKOFKUSA-N 0 0 446.613 3.774 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c(C)c1 ZINC000020582704 525081455 /nfs/dbraw/zinc/08/14/55/525081455.db2.gz ZBFGNPMIMXDTPO-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN C[C@@H](NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1)c1ccccc1Cl ZINC000022917231 525106965 /nfs/dbraw/zinc/10/69/65/525106965.db2.gz PUEYBDCKSFEVPA-MRXNPFEDSA-N 0 0 428.989 3.945 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012770702 525112019 /nfs/dbraw/zinc/11/20/19/525112019.db2.gz RXSOXKIZXLDKMI-CYBMUJFWSA-N 0 0 434.323 3.727 50 0 IHAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccco4)cc3)n2)cc1 ZINC000032998852 525112694 /nfs/dbraw/zinc/11/26/94/525112694.db2.gz WNOWGARSOCUARB-UHFFFAOYSA-N 0 0 433.489 3.915 50 0 IHAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012819136 525129317 /nfs/dbraw/zinc/12/93/17/525129317.db2.gz FGGFVORDPFSCGJ-AWEZNQCLSA-N 0 0 439.002 3.948 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000022137061 525160420 /nfs/dbraw/zinc/16/04/20/525160420.db2.gz MYMHDYQECAMBCK-NRFANRHFSA-N 0 0 432.611 3.504 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2ccc(C(N)=O)cc2)c2c[nH]c3ccccc32)cc1 ZINC000012908398 525181670 /nfs/dbraw/zinc/18/16/70/525181670.db2.gz CWXAACTWWNNWPJ-JOCHJYFZSA-N 0 0 443.503 3.603 50 0 IHAARN Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012562168 525186086 /nfs/dbraw/zinc/18/60/86/525186086.db2.gz YAHZVDPYVBOTJH-UHFFFAOYSA-N 0 0 444.340 3.967 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000021809696 525201968 /nfs/dbraw/zinc/20/19/68/525201968.db2.gz XCPGMEXDGPUGCC-GAJHUEQPSA-N 0 0 429.586 3.935 50 0 IHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000035526941 525209959 /nfs/dbraw/zinc/20/99/59/525209959.db2.gz JMUSWKMALRVXJT-FQEVSTJZSA-N 0 0 442.915 3.725 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc(F)cc1F ZINC000012563620 525224536 /nfs/dbraw/zinc/22/45/36/525224536.db2.gz XONFYWNPCTWHTD-ZDUSSCGKSA-N 0 0 433.480 3.937 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1OC ZINC000015670302 525236012 /nfs/dbraw/zinc/23/60/12/525236012.db2.gz HKEWFBVLVLNCAR-KRWDZBQOSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2ccccc2)cc1 ZINC000012591980 525238208 /nfs/dbraw/zinc/23/82/08/525238208.db2.gz WDSHSODMGPVOLF-DEOSSOPVSA-N 0 0 444.487 3.995 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012806048 525253558 /nfs/dbraw/zinc/25/35/58/525253558.db2.gz GBBXFMUCACVKIV-CYBMUJFWSA-N 0 0 432.523 3.796 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062240 525256935 /nfs/dbraw/zinc/25/69/35/525256935.db2.gz RIMBRDDMPHFJAE-LEWJYISDSA-N 0 0 442.943 3.835 50 0 IHAARN Cc1cc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)ccc1Br ZINC000077100456 525261756 /nfs/dbraw/zinc/26/17/56/525261756.db2.gz DKCDOQAEKASEGD-UHFFFAOYSA-N 0 0 442.195 3.884 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000032995347 525265123 /nfs/dbraw/zinc/26/51/23/525265123.db2.gz MYUHQCZKUGWFPI-UHFFFAOYSA-N 0 0 449.580 3.770 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012929864 525269297 /nfs/dbraw/zinc/26/92/97/525269297.db2.gz GPZOBYDGEWGJHC-JOCHJYFZSA-N 0 0 426.563 3.738 50 0 IHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 ZINC000015824950 525308077 /nfs/dbraw/zinc/30/80/77/525308077.db2.gz QUSNSHIMDQLBFE-UHFFFAOYSA-N 0 0 441.491 3.597 50 0 IHAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O ZINC000012567905 525320173 /nfs/dbraw/zinc/32/01/73/525320173.db2.gz SSVFWCQDVKRNOY-AREMUKBSSA-N 0 0 441.487 3.617 50 0 IHAARN Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 ZINC000035371853 525326435 /nfs/dbraw/zinc/32/64/35/525326435.db2.gz FDKOBEFHIFCBTA-UHFFFAOYSA-N 0 0 443.438 3.923 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1C ZINC000021099686 525396204 /nfs/dbraw/zinc/39/62/04/525396204.db2.gz ZUBJDAAGNWHCGU-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012676152 525406217 /nfs/dbraw/zinc/40/62/17/525406217.db2.gz FCRILBHRJFXGPL-JOCHJYFZSA-N 0 0 430.570 3.768 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C(C)C)cc1OC ZINC000035961549 525406962 /nfs/dbraw/zinc/40/69/62/525406962.db2.gz AERSZFZPEDGGJK-HXUWFJFHSA-N 0 0 441.503 3.635 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012780076 525409428 /nfs/dbraw/zinc/40/94/28/525409428.db2.gz QVTKVXDCYDOJII-OAQYLSRUSA-N 0 0 446.544 3.599 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059817 525419787 /nfs/dbraw/zinc/41/97/87/525419787.db2.gz BIYUVEABGBFIHG-FGZHOGPDSA-N 0 0 438.568 3.998 50 0 IHAARN Cc1cccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)nc12 ZINC000023267663 525461066 /nfs/dbraw/zinc/46/10/66/525461066.db2.gz XMBBECIQGLEJCI-QFIPXVFZSA-N 0 0 440.455 3.814 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4F)cc3)nc12 ZINC000021100117 525461103 /nfs/dbraw/zinc/46/11/03/525461103.db2.gz JPLOPNCOTMHDHH-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC4CCCCC4)nc23)cc1 ZINC000035424822 525478519 /nfs/dbraw/zinc/47/85/19/525478519.db2.gz DLCJCAAQJSQXQD-UHFFFAOYSA-N 0 0 431.496 3.594 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)c4nnc(C)s4)cc3)c2c1 ZINC000033261367 525492777 /nfs/dbraw/zinc/49/27/77/525492777.db2.gz MFJJDXQDBFKFKU-UHFFFAOYSA-N 0 0 435.509 3.561 50 0 biogenic IHAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000020737396 525494607 /nfs/dbraw/zinc/49/46/07/525494607.db2.gz PEABIIVPQAZMGJ-IBGZPJMESA-N 0 0 434.418 3.538 50 0 IHAARN COc1ccc2c(COC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc(=O)oc2c1 ZINC000017257056 525502382 /nfs/dbraw/zinc/50/23/82/525502382.db2.gz DDAMCLBVVZQTSY-UHFFFAOYSA-N 0 0 430.840 3.902 50 0 IHAARN Cc1c(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012461923 525507473 /nfs/dbraw/zinc/50/74/73/525507473.db2.gz HRJJEUOUXADIIA-UHFFFAOYSA-N 0 0 433.899 3.613 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000012934152 525527872 /nfs/dbraw/zinc/52/78/72/525527872.db2.gz UAUZDLCDFPIVKK-UHFFFAOYSA-N 0 0 428.554 3.676 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233090 525530342 /nfs/dbraw/zinc/53/03/42/525530342.db2.gz RNRCFYSHVJZXGZ-CRAIPNDOSA-N 0 0 443.532 3.597 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3N3CCCC3)C2)s1 ZINC000022694636 525535029 /nfs/dbraw/zinc/53/50/29/525535029.db2.gz MIIJBJCGLIFFDL-KRWDZBQOSA-N 0 0 433.599 3.696 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c(C)c1 ZINC000012922357 525544951 /nfs/dbraw/zinc/54/49/51/525544951.db2.gz FKEAOKJVCYELFH-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc2C1 ZINC000023156605 525553769 /nfs/dbraw/zinc/55/37/69/525553769.db2.gz PRLBKIWQIAUAPB-LJQANCHMSA-N 0 0 447.398 3.886 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(F)c(F)c4)sc3C2)cc1 ZINC000021654661 525554992 /nfs/dbraw/zinc/55/49/92/525554992.db2.gz VMQDHCBLWLCGNJ-UHFFFAOYSA-N 0 0 449.504 3.729 50 0 IHAARN Cc1cc2c(cc1F)n(CC(=O)Nc1ccccc1F)cc(C(=O)c1ccncc1)c2=O ZINC000035535392 525605415 /nfs/dbraw/zinc/60/54/15/525605415.db2.gz PPOAFGGHJXTCRT-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2NC1=O ZINC000012917794 525609186 /nfs/dbraw/zinc/60/91/86/525609186.db2.gz CAOKCGWRLBUWTA-VIFPVBQESA-N 0 0 425.666 3.839 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000012180414 525610642 /nfs/dbraw/zinc/61/06/42/525610642.db2.gz CSDWJQZAFGWJFY-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 ZINC000012748345 525638834 /nfs/dbraw/zinc/63/88/34/525638834.db2.gz DLYTZJZWQHZBAE-QFQXNSOFSA-N 0 0 448.519 3.672 50 0 IHAARN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000021540935 525663824 /nfs/dbraw/zinc/66/38/24/525663824.db2.gz NCGOGBJAZGDCFW-SFHVURJKSA-N 0 0 432.524 3.864 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)c(C)n2n1 ZINC000024735580 525671107 /nfs/dbraw/zinc/67/11/07/525671107.db2.gz PXAYMHAEBYJEAW-UHFFFAOYSA-N 0 0 448.354 3.991 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)[C@@H](C)Oc3ccccc3)cc(=O)n2o1 ZINC000035448213 525672195 /nfs/dbraw/zinc/67/21/95/525672195.db2.gz AMCMNCVCCSXVQG-QGZVFWFLSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc(=O)n2o1 ZINC000041089672 525675787 /nfs/dbraw/zinc/67/57/87/525675787.db2.gz SMRIFXIMBYOXAR-UHFFFAOYSA-N 0 0 445.497 3.828 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(F)cc(F)c3)n2)c1 ZINC000015670534 525719101 /nfs/dbraw/zinc/71/91/01/525719101.db2.gz VHETUUREWRSSKQ-GOSISDBHSA-N 0 0 448.433 3.794 50 0 IHAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012539860 525751035 /nfs/dbraw/zinc/75/10/35/525751035.db2.gz VIDXLHKQKXFMLI-UHFFFAOYSA-N 0 0 444.944 3.504 50 0 IHAARN COc1cccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccccc3OC)C2=O)c1 ZINC000020733886 525768303 /nfs/dbraw/zinc/76/83/03/525768303.db2.gz NLXOBSNCPZWQFT-IWIPYMOSSA-N 0 0 444.487 3.787 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CN4CCOCC4)cs3)o2)cc1C ZINC000021129663 525770328 /nfs/dbraw/zinc/77/03/28/525770328.db2.gz YEPMDDUWIPREFC-UHFFFAOYSA-N 0 0 426.542 3.818 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)NC(=O)CO5)c(=O)c23)s1 ZINC000012582590 525787469 /nfs/dbraw/zinc/78/74/69/525787469.db2.gz IZTACCLDUHIVED-UHFFFAOYSA-N 0 0 437.502 3.709 50 0 IHAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(=O)C1CC1)C(C)C ZINC000035808075 525841337 /nfs/dbraw/zinc/84/13/37/525841337.db2.gz URGDIWGCZRMNQT-UHFFFAOYSA-N 0 0 428.554 3.961 50 0 IHAARN Cc1ccc(-c2nnc(COc3cccc(NC(=O)CNC(=O)c4ccccc4)c3)o2)cc1 ZINC000033175658 525844456 /nfs/dbraw/zinc/84/44/56/525844456.db2.gz IMCVKLQXYDRDEY-UHFFFAOYSA-N 0 0 442.475 3.993 50 0 IHAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 ZINC000009669485 525885120 /nfs/dbraw/zinc/88/51/20/525885120.db2.gz FZBAEKNRTSIOFP-CQSZACIVSA-N 0 0 447.538 3.503 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F ZINC000012756785 525887296 /nfs/dbraw/zinc/88/72/96/525887296.db2.gz WNPUAONVNCSGKS-DEWSOERTSA-N 0 0 442.531 3.903 50 0 IHAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)cn2)cc1 ZINC000035403738 525908466 /nfs/dbraw/zinc/90/84/66/525908466.db2.gz ACQSDEFBFGSEJL-UHFFFAOYSA-N 0 0 441.579 3.619 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2=O)cc1C ZINC000035503662 525928308 /nfs/dbraw/zinc/92/83/08/525928308.db2.gz AJUXOBCPVFJPNU-UHFFFAOYSA-N 0 0 436.943 3.855 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)c1 ZINC000009211075 534892417 /nfs/dbraw/zinc/89/24/17/534892417.db2.gz XWHGRFHJQJSVKS-SFHVURJKSA-N 0 0 432.528 3.610 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(=O)N[C@H]1CCCc3ccccc31)nc2C ZINC000020563634 525934100 /nfs/dbraw/zinc/93/41/00/525934100.db2.gz RROYXCDDBLIAKS-QFIPXVFZSA-N 0 0 441.535 3.701 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCCc1cccs1)nc2C ZINC000020563876 525935250 /nfs/dbraw/zinc/93/52/50/525935250.db2.gz DZYFREVCTJUZGH-UHFFFAOYSA-N 0 0 449.580 3.708 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)cc2=O)s1 ZINC000021633408 525941075 /nfs/dbraw/zinc/94/10/75/525941075.db2.gz AYPCCLMJXJJAQJ-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)cc2=O)s1 ZINC000021633492 525941757 /nfs/dbraw/zinc/94/17/57/525941757.db2.gz ZXQNHCDOIXBRQZ-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2=O)s1 ZINC000021633222 525941865 /nfs/dbraw/zinc/94/18/65/525941865.db2.gz QPPLEQHMSHGWJB-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN C[C@@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCCC2)no1 ZINC000035558442 525954229 /nfs/dbraw/zinc/95/42/29/525954229.db2.gz JGQUNYAXLURHFZ-MRXNPFEDSA-N 0 0 432.484 3.634 50 0 IHAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012523218 525987103 /nfs/dbraw/zinc/98/71/03/525987103.db2.gz 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Cc1cc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c[nH]3)n2)c(C)s1 ZINC000012930437 526047786 /nfs/dbraw/zinc/04/77/86/526047786.db2.gz JMRKZYZBHKAIRK-UHFFFAOYSA-N 0 0 436.584 3.853 50 0 IHAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000012795160 526050909 /nfs/dbraw/zinc/05/09/09/526050909.db2.gz CEZVXQHIPPIOCI-SANMLTNESA-N 0 0 425.488 3.972 50 0 IHAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000022383996 526059944 /nfs/dbraw/zinc/05/99/44/526059944.db2.gz HYYBLYFSSBAMIA-AWEZNQCLSA-N 0 0 447.944 3.795 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)NCC(=O)N3Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036025083 526089322 /nfs/dbraw/zinc/08/93/22/526089322.db2.gz HTGIMRIHUABTLI-UHFFFAOYSA-N 0 0 431.458 3.578 50 0 IHAARN CSc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 ZINC000035597328 526120689 /nfs/dbraw/zinc/12/06/89/526120689.db2.gz LRMDWMRHDHNCQB-UHFFFAOYSA-N 0 0 437.573 3.664 50 0 IHAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccc(Cl)cc1 ZINC000012922585 526123471 /nfs/dbraw/zinc/12/34/71/526123471.db2.gz YPJSFEWDPZFHER-UHFFFAOYSA-N 0 0 432.307 3.999 50 0 IHAARN Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000036041217 526138276 /nfs/dbraw/zinc/13/82/76/526138276.db2.gz CMWHGBRRAVYGOF-GOTSBHOMSA-N 0 0 442.515 3.896 50 0 IHAARN Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021659227 526142450 /nfs/dbraw/zinc/14/24/50/526142450.db2.gz KZCZBNKVKMRJRY-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022908191 526166673 /nfs/dbraw/zinc/16/66/73/526166673.db2.gz UJBRDTAVVXVEAJ-OAQYLSRUSA-N 0 0 435.549 3.611 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2Br)c1 ZINC000015470725 526172094 /nfs/dbraw/zinc/17/20/94/526172094.db2.gz YVRIIDXDKBTGPO-UHFFFAOYSA-N 0 0 441.709 3.587 50 0 IHAARN Cc1ccc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)cc1 ZINC000033312912 526174721 /nfs/dbraw/zinc/17/47/21/526174721.db2.gz QDCYSWJWHMJNNC-IBGZPJMESA-N 0 0 426.582 3.705 50 0 IHAARN COc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)c1 ZINC000009659177 526182224 /nfs/dbraw/zinc/18/22/24/526182224.db2.gz MNUKMXABHFQOSE-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022915205 526187393 /nfs/dbraw/zinc/18/73/93/526187393.db2.gz DDHKXEVJQZNJFO-MRXNPFEDSA-N 0 0 425.920 3.707 50 0 IHAARN Cc1cc(C(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)c(C)n1CCC(C)C ZINC000012882050 526210070 /nfs/dbraw/zinc/21/00/70/526210070.db2.gz CULADQJDVBSIKP-UHFFFAOYSA-N 0 0 426.513 3.841 50 0 IHAARN COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012752390 526221786 /nfs/dbraw/zinc/22/17/86/526221786.db2.gz WKSJTHXOJQXJSU-HZPDHXFCSA-N 0 0 433.526 3.590 50 0 IHAARN COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000012752397 526222102 /nfs/dbraw/zinc/22/21/02/526222102.db2.gz WKSJTHXOJQXJSU-HOTGVXAUSA-N 0 0 433.526 3.590 50 0 IHAARN Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012462653 526222122 /nfs/dbraw/zinc/22/21/22/526222122.db2.gz ZEBUEBAHXSGJNR-UHFFFAOYSA-N 0 0 448.748 3.720 50 0 IHAARN CSc1nnc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)s1 ZINC000035671828 526229644 /nfs/dbraw/zinc/22/96/44/526229644.db2.gz KDTVAXJNPVFMHW-UHFFFAOYSA-N 0 0 429.552 3.640 50 0 IHAARN Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 ZINC000012753160 526248351 /nfs/dbraw/zinc/24/83/51/526248351.db2.gz PNHGZIDUOSMTKG-IBGZPJMESA-N 0 0 436.487 3.593 50 0 IHAARN Cc1nn(CC(=O)Nc2cc(Cl)ccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012879500 526268224 /nfs/dbraw/zinc/26/82/24/526268224.db2.gz PCSWSKXPRGRXEY-UHFFFAOYSA-N 0 0 438.981 3.521 50 0 IHAARN Cc1nn(Cc2cc(-c3ccccc3)on2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012891392 526286606 /nfs/dbraw/zinc/28/66/06/526286606.db2.gz YBKPDRCVEFTOJA-UHFFFAOYSA-N 0 0 426.498 3.617 50 0 IHAARN O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000012846128 526290568 /nfs/dbraw/zinc/29/05/68/526290568.db2.gz YSSHHCWKAKAHJL-SJORKVTESA-N 0 0 436.413 3.699 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 ZINC000023982669 526290778 /nfs/dbraw/zinc/29/07/78/526290778.db2.gz SERUMANWSPSKCF-UHFFFAOYSA-N 0 0 449.555 3.947 50 0 IHAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 ZINC000012543622 526295853 /nfs/dbraw/zinc/29/58/53/526295853.db2.gz VLYASGMGQWYOAS-UHFFFAOYSA-N 0 0 431.565 3.808 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1noc(-c2ccccc2Cl)n1 ZINC000023944412 526388559 /nfs/dbraw/zinc/38/85/59/526388559.db2.gz RQWNHUZXPKXRSS-UHFFFAOYSA-N 0 0 428.828 3.868 50 0 IHAARN O=C(OCc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000014424240 526424909 /nfs/dbraw/zinc/42/49/09/526424909.db2.gz VEKOEASQUOZRJH-UHFFFAOYSA-N 0 0 437.517 3.732 50 0 IHAARN O=C(OCc1ccccc1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012696615 526426917 /nfs/dbraw/zinc/42/69/17/526426917.db2.gz KOLLUXQHSAFZLB-SANMLTNESA-N 0 0 426.472 3.909 50 0 IHAARN c1ccc(CN2CCO[C@H](CSc3nnc(CN4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000012512774 526469368 /nfs/dbraw/zinc/46/93/68/526469368.db2.gz ZFYLMEGZRWUSRM-QHCPKHFHSA-N 0 0 449.624 3.856 50 0 IHAARN O=C(NC[C@@H]1CCC2(CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)O1)C1CCCCC1 ZINC000012184631 526503058 /nfs/dbraw/zinc/50/30/58/526503058.db2.gz NQRQALAYCFQWSX-SIKLNZKXSA-N 0 0 438.568 3.593 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998914 526519509 /nfs/dbraw/zinc/51/95/09/526519509.db2.gz LDWXZDGPVZARDK-SFHVURJKSA-N 0 0 441.940 3.946 50 0 IHAARN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCCCCOc1ccc(F)cc1 ZINC000024617781 526558617 /nfs/dbraw/zinc/55/86/17/526558617.db2.gz FYNKHFPZPWJXJD-UHFFFAOYSA-N 0 0 444.532 3.557 50 0 IHAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)no1 ZINC000035556868 526567041 /nfs/dbraw/zinc/56/70/41/526567041.db2.gz FMWSTNWSNNLPAM-UHFFFAOYSA-N 0 0 446.960 3.826 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1)NCc1ccc(F)c(F)c1 ZINC000012714666 526568380 /nfs/dbraw/zinc/56/83/80/526568380.db2.gz SSSJDJQRXWNFEJ-OAHLLOKOSA-N 0 0 430.451 3.642 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012576130 526569039 /nfs/dbraw/zinc/56/90/39/526569039.db2.gz SIURJFLJIDPLBI-HXUWFJFHSA-N 0 0 445.567 3.544 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)CCN3C(=O)COc4ccccc43)s2)cs1 ZINC000012396890 526570201 /nfs/dbraw/zinc/57/02/01/526570201.db2.gz BHENXTCNCXOZBB-UHFFFAOYSA-N 0 0 427.551 3.654 50 0 IHAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(-n4nnc5ccccc54)c23)c1 ZINC000012798817 526573872 /nfs/dbraw/zinc/57/38/72/526573872.db2.gz HTPZSRPJBYMGMA-UHFFFAOYSA-N 0 0 434.550 3.986 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1 ZINC000035529828 526576508 /nfs/dbraw/zinc/57/65/08/526576508.db2.gz OWQKAZCJHZMNCG-OAHLLOKOSA-N 0 0 426.904 3.815 50 0 IHAARN O=C(CCc1ccccc1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000035527014 526607203 /nfs/dbraw/zinc/60/72/03/526607203.db2.gz RUNHEAOIILWFBH-UHFFFAOYSA-N 0 0 440.341 3.848 50 0 IHAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)[C@@H]1COc2ccccc2O1 ZINC000015824839 526634231 /nfs/dbraw/zinc/63/42/31/526634231.db2.gz NJYWXJBCYXZSDU-SFHVURJKSA-N 0 0 427.913 3.765 50 0 IHAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012788240 526651396 /nfs/dbraw/zinc/65/13/96/526651396.db2.gz DNBJWYBMYBEZDU-UHFFFAOYSA-N 0 0 442.487 3.779 50 0 IHAARN Cc1nc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nn1-c1ccc(F)cc1 ZINC000012783329 526658120 /nfs/dbraw/zinc/65/81/20/526658120.db2.gz AYNWMEPFJTWFNZ-CQSZACIVSA-N 0 0 438.459 3.738 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000021111723 526660020 /nfs/dbraw/zinc/66/00/20/526660020.db2.gz VQFVHZPNABPSRI-GOSISDBHSA-N 0 0 434.970 3.608 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](CN3CCOCC3)c3ccc(C)cc3)c12 ZINC000022312276 526677767 /nfs/dbraw/zinc/67/77/67/526677767.db2.gz HAIUHADKQAUSEF-NRFANRHFSA-N 0 0 446.507 3.903 50 0 IHAARN O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCCCCC1 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IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000035990298 527529836 /nfs/dbraw/zinc/52/98/36/527529836.db2.gz WYCUVWZKFSFJOH-UHFFFAOYSA-N 0 0 448.477 3.673 50 0 IHAARN Nc1nc(CSC(=S)N2CCN(c3ccccc3)CC2)nc(Nc2ccccc2)n1 ZINC000001107378 527552369 /nfs/dbraw/zinc/55/23/69/527552369.db2.gz MJUBMNNENZFDBB-UHFFFAOYSA-N 0 0 437.598 3.538 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)C4CC4)CC3)c12 ZINC000035912693 527554623 /nfs/dbraw/zinc/55/46/23/527554623.db2.gz XPLNVFKPHBOPQJ-UHFFFAOYSA-N 0 0 432.572 3.771 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000035912642 527555239 /nfs/dbraw/zinc/55/52/39/527555239.db2.gz RFYCCXNXQZIKBT-UHFFFAOYSA-N 0 0 444.539 3.878 50 0 IHAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012818222 527603039 /nfs/dbraw/zinc/60/30/39/527603039.db2.gz BRFSUIDVTHOHPC-VOTSOKGWSA-N 0 0 434.901 3.505 50 0 IHAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012596281 527669209 /nfs/dbraw/zinc/66/92/09/527669209.db2.gz ZCQCVJMYMJVTIB-ZDUSSCGKSA-N 0 0 449.882 3.684 50 0 IHAARN O=C(NCCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012742630 527673599 /nfs/dbraw/zinc/67/35/99/527673599.db2.gz LCTVSGQSYBVIKH-UHFFFAOYSA-N 0 0 438.959 3.704 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c12 ZINC000036739471 527682556 /nfs/dbraw/zinc/68/25/56/527682556.db2.gz RYQDLQFYVDZUGB-UHFFFAOYSA-N 0 0 435.434 3.590 50 0 IHAARN Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc12 ZINC000012771477 527687408 /nfs/dbraw/zinc/68/74/08/527687408.db2.gz VZMLVYJCHQBPJO-UHFFFAOYSA-N 0 0 426.420 3.553 50 0 IHAARN CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O ZINC000009519272 535147515 /nfs/dbraw/zinc/14/75/15/535147515.db2.gz BVMMYXPBXBPKMD-AWEZNQCLSA-N 0 0 429.952 3.837 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000013021191 535280758 /nfs/dbraw/zinc/28/07/58/535280758.db2.gz AOQMWBCQPLVWRR-UHFFFAOYSA-N 0 0 434.540 3.972 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1 ZINC000007736027 535389732 /nfs/dbraw/zinc/38/97/32/535389732.db2.gz ZWLDDWIAIFGJQN-UHFFFAOYSA-N 0 0 425.554 3.761 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccnc12 ZINC000009775695 535391183 /nfs/dbraw/zinc/39/11/83/535391183.db2.gz DPNNQDDLIUJXPB-UHFFFAOYSA-N 0 0 431.945 3.798 50 0 IHAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(CC)CC3)c2c1 ZINC000009969357 535445658 /nfs/dbraw/zinc/44/56/58/535445658.db2.gz ZVVFMWSQTNTHEO-UHFFFAOYSA-N 0 0 439.581 3.917 50 0 IHAARN CCC[C@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000011120995 535642325 /nfs/dbraw/zinc/64/23/25/535642325.db2.gz CAFWSRVUXRWKEJ-ZDUSSCGKSA-N 0 0 437.359 3.930 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1 ZINC000006802407 535777217 /nfs/dbraw/zinc/77/72/17/535777217.db2.gz FEVQNPJBVQBAPF-UHFFFAOYSA-N 0 0 425.554 3.713 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc2O1 ZINC000009726132 536367487 /nfs/dbraw/zinc/36/74/87/536367487.db2.gz DJTVKOCLJZTPSJ-DEOSSOPVSA-N 0 0 438.487 3.693 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1C ZINC000009348839 536962829 /nfs/dbraw/zinc/96/28/29/536962829.db2.gz RWNHXGSHHAPYPY-UHFFFAOYSA-N 0 0 438.499 3.839 50 0 IHAARN COc1cc(C(=O)Nc2ccc(I)cc2C)cc(OC)c1OC ZINC000000622461 555511138 /nfs/dbraw/zinc/51/11/38/555511138.db2.gz KZFYYRGOIUAVOJ-UHFFFAOYSA-N 0 0 427.238 3.878 50 0 IHAARN Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1 ZINC000000624420 555512052 /nfs/dbraw/zinc/51/20/52/555512052.db2.gz CDDYCBJDNUHIJA-UHFFFAOYSA-N 0 0 435.487 3.714 50 0 aggregator IHAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F ZINC000000630627 555514653 /nfs/dbraw/zinc/51/46/53/555514653.db2.gz XZBKVEDTSZAPGB-VIFPVBQESA-N 0 0 435.702 3.547 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000000637427 555517191 /nfs/dbraw/zinc/51/71/91/555517191.db2.gz HSIDBBWQXCRULK-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN Cc1cccc(Cn2c(SCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000637404 555517234 /nfs/dbraw/zinc/51/72/34/555517234.db2.gz SHOREOKYSNYZSB-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN COc1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000000643502 555519320 /nfs/dbraw/zinc/51/93/20/555519320.db2.gz ZJHMYKJHAGVBPM-UHFFFAOYSA-N 0 0 434.492 3.937 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000645771 555520773 /nfs/dbraw/zinc/52/07/73/555520773.db2.gz AUGIVSDYNQWPBK-HXUWFJFHSA-N 0 0 440.546 3.705 50 0 biogenic,in-vitro IHAARN COc1ccccc1OCc1cccc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c1 ZINC000000652674 555523462 /nfs/dbraw/zinc/52/34/62/555523462.db2.gz ODFFRTJGTIZZOO-FQEVSTJZSA-N 0 0 426.366 3.695 50 0 IHAARN CCN(C(=S)NC(=O)c1ccc(OC)c(I)c1)c1ccccc1 ZINC000000676673 555534926 /nfs/dbraw/zinc/53/49/26/555534926.db2.gz HFGASMOSBUINKV-UHFFFAOYSA-N 0 0 440.306 3.841 50 0 IHAARN CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)cc1O ZINC000000679485 555536824 /nfs/dbraw/zinc/53/68/24/555536824.db2.gz LHEUWCGADKJQMU-IBGZPJMESA-N 0 0 431.945 3.554 50 0 IHAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)cc1O ZINC000000679486 555536887 /nfs/dbraw/zinc/53/68/87/555536887.db2.gz LHEUWCGADKJQMU-LJQANCHMSA-N 0 0 431.945 3.554 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(C)cc1Br)C[C@@H](C)CC2 ZINC000000682855 555538251 /nfs/dbraw/zinc/53/82/51/555538251.db2.gz YONHOYNMZWIIEB-VIFPVBQESA-N 0 0 426.336 3.798 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2N)c1 ZINC000000686805 555540163 /nfs/dbraw/zinc/54/01/63/555540163.db2.gz SROZECZQFUEOBT-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c(OC)c1 ZINC000000692549 555541944 /nfs/dbraw/zinc/54/19/44/555541944.db2.gz DVMLFUNQUVLSAD-UHFFFAOYSA-N 0 0 432.432 3.765 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)NCc1ccco1 ZINC000000706859 555545049 /nfs/dbraw/zinc/54/50/49/555545049.db2.gz LYZWULWBQJNETF-UHFFFAOYSA-N 0 0 437.546 3.937 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1c(C)cccc1C ZINC000009285101 555547483 /nfs/dbraw/zinc/54/74/83/555547483.db2.gz FMRLFMALRMUWPG-UHFFFAOYSA-N 0 0 446.598 3.831 50 0 IHAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000000714298 555548082 /nfs/dbraw/zinc/54/80/82/555548082.db2.gz QXYOMIZTUZMZQR-UHFFFAOYSA-N 0 0 425.329 3.780 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000000779596 555554683 /nfs/dbraw/zinc/55/46/83/555554683.db2.gz NQTHCFBKVMEVAF-UHFFFAOYSA-N 0 0 430.504 3.969 50 0 IHAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCc4ccc5c(c4)OCO5)c32)C1 ZINC000000781907 555555586 /nfs/dbraw/zinc/55/55/86/555555586.db2.gz FIKSALYFDSJOMW-LBPRGKRZSA-N 0 0 427.551 3.953 50 0 IHAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc(OC)c1OC ZINC000000784076 555555876 /nfs/dbraw/zinc/55/58/76/555555876.db2.gz CJGSZAGZCQBGGW-HNNXBMFYSA-N 0 0 448.541 3.528 50 0 biogenic IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000022626210 555556707 /nfs/dbraw/zinc/55/67/07/555556707.db2.gz LAAOEHWWDROFND-AEFFLSMTSA-N 0 0 444.557 3.568 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(OC)cc2)ccc1Br ZINC000000793017 555557363 /nfs/dbraw/zinc/55/73/63/555557363.db2.gz UKYCQPNPNGHMTD-UHFFFAOYSA-N 0 0 442.331 3.707 50 0 IHAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000793004 555557376 /nfs/dbraw/zinc/55/73/76/555557376.db2.gz ZSKYDDTXKZCVCZ-UHFFFAOYSA-N 0 0 449.743 3.920 50 0 IHAARN CCOC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1OC ZINC000000818796 555563185 /nfs/dbraw/zinc/56/31/85/555563185.db2.gz UUHMUSTYLUGXPI-UHFFFAOYSA-N 0 0 449.326 3.812 50 0 IHAARN CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2C1=O ZINC000000838306 555567391 /nfs/dbraw/zinc/56/73/91/555567391.db2.gz LPGBDUADMJURFI-UHFFFAOYSA-N 0 0 448.260 3.796 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000000846897 555569901 /nfs/dbraw/zinc/56/99/01/555569901.db2.gz XABFRMNAXBHABZ-GOSISDBHSA-N 0 0 440.521 3.673 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000000846898 555569989 /nfs/dbraw/zinc/56/99/89/555569989.db2.gz XABFRMNAXBHABZ-SFHVURJKSA-N 0 0 440.521 3.673 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3N2)cc1 ZINC000000866425 555573942 /nfs/dbraw/zinc/57/39/42/555573942.db2.gz MYSSZSBGYFKEBC-HOCLYGCPSA-N 0 0 426.464 3.741 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000869449 555575067 /nfs/dbraw/zinc/57/50/67/555575067.db2.gz NFJPECHACBUDGT-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3 ZINC000000870364 555575236 /nfs/dbraw/zinc/57/52/36/555575236.db2.gz RVPZELFIWXPIJT-UHFFFAOYSA-N 0 0 446.550 3.572 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 ZINC000000876947 555576192 /nfs/dbraw/zinc/57/61/92/555576192.db2.gz HXRGGCQVTNTHJB-UHFFFAOYSA-N 0 0 440.477 3.612 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000877063 555576499 /nfs/dbraw/zinc/57/64/99/555576499.db2.gz MFUFDYGCUVMTIQ-UHFFFAOYSA-N 0 0 438.505 3.866 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000000888570 555579482 /nfs/dbraw/zinc/57/94/82/555579482.db2.gz FPHCRTRCAZGANY-UHFFFAOYSA-N 0 0 445.504 3.847 50 0 IHAARN O=C(c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl)N1CCOCC1 ZINC000000970493 555591548 /nfs/dbraw/zinc/59/15/48/555591548.db2.gz LSBKNLSIMUONSG-UHFFFAOYSA-N 0 0 428.773 3.680 50 0 IHAARN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 ZINC000000978130 555592886 /nfs/dbraw/zinc/59/28/86/555592886.db2.gz YYOBSRMDODDHNV-INIZCTEOSA-N 0 0 430.298 3.845 50 0 IHAARN Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 ZINC000000993215 555597523 /nfs/dbraw/zinc/59/75/23/555597523.db2.gz RCIZXCKBBFCSTO-INIZCTEOSA-N 0 0 430.298 3.845 50 0 IHAARN CCOC(=O)N1CCc2c(sc3[nH]c(=O)n(-c4ccc(Cl)c(Cl)c4)c(=O)c32)C1 ZINC000001036136 555608101 /nfs/dbraw/zinc/60/81/01/555608101.db2.gz ITOOLDMDWIIQBR-UHFFFAOYSA-N 0 0 440.308 3.562 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1C ZINC000001067096 555619001 /nfs/dbraw/zinc/61/90/01/555619001.db2.gz AXJJMZSBIOYQGG-UHFFFAOYSA-N 0 0 438.505 3.763 50 0 IHAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000001069474 555620186 /nfs/dbraw/zinc/62/01/86/555620186.db2.gz ZNFKFIQIBXWFOO-KDOFPFPSSA-N 0 0 445.401 3.597 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000001074882 555623711 /nfs/dbraw/zinc/62/37/11/555623711.db2.gz YHOJLUSZGPEAAF-LJQANCHMSA-N 0 0 441.532 3.812 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)o1 ZINC000001076560 555624317 /nfs/dbraw/zinc/62/43/17/555624317.db2.gz BXHRCELQZOYPBR-UHFFFAOYSA-N 0 0 427.482 3.577 50 0 IHAARN COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1 ZINC000001089498 555627166 /nfs/dbraw/zinc/62/71/66/555627166.db2.gz JUVDKTXQUWSWGY-ZDUSSCGKSA-N 0 0 426.296 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000001104718 555629235 /nfs/dbraw/zinc/62/92/35/555629235.db2.gz NIJUBBMSBJLWFW-QHCPKHFHSA-N 0 0 440.609 3.877 50 0 IHAARN O=C(CCc1nc2ccccc2[nH]c1=O)OCc1cccc(C(=O)Oc2ccccc2)c1 ZINC000001124364 555639632 /nfs/dbraw/zinc/63/96/32/555639632.db2.gz TUGUEEFSAJKFRE-UHFFFAOYSA-N 0 0 428.444 3.818 50 0 IHAARN CCOC(=O)[C@H](C)Oc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000001126905 555641653 /nfs/dbraw/zinc/64/16/53/555641653.db2.gz PBDIOUHECIALBJ-KKSFZXQISA-N 0 0 437.496 3.592 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)c(C)c1 ZINC000001133193 555645700 /nfs/dbraw/zinc/64/57/00/555645700.db2.gz WEZZIXKASJFSOL-UHFFFAOYSA-N 0 0 425.295 3.738 50 0 IHAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001135026 555646601 /nfs/dbraw/zinc/64/66/01/555646601.db2.gz URUUYAGDQCROSQ-UHFFFAOYSA-N 0 0 427.353 3.711 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000001138674 555648405 /nfs/dbraw/zinc/64/84/05/555648405.db2.gz ZQTJKKWMLAPCEN-OAQYLSRUSA-N 0 0 446.532 3.621 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 ZINC000001144065 555652087 /nfs/dbraw/zinc/65/20/87/555652087.db2.gz XMZFEHGXJIOUFJ-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN COc1cc(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O ZINC000001145386 555653013 /nfs/dbraw/zinc/65/30/13/555653013.db2.gz UDQHGXPQTPXHBT-VGOFMYFVSA-N 0 0 437.677 3.910 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001150096 555655804 /nfs/dbraw/zinc/65/58/04/555655804.db2.gz ORJRNZUCPYOXCU-UHFFFAOYSA-N 0 0 432.523 3.605 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001153405 555657566 /nfs/dbraw/zinc/65/75/66/555657566.db2.gz JYQVWKQADHGEGQ-UHFFFAOYSA-N 0 0 446.550 3.995 50 0 IHAARN COc1ccc(I)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 ZINC000001158582 555660463 /nfs/dbraw/zinc/66/04/63/555660463.db2.gz PVLOGJPBSFLYRO-UHFFFAOYSA-N 0 0 442.278 3.503 50 0 IHAARN O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCOCC1)c1ccccc1Br ZINC000001165554 555663791 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COC(=O)c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2OC)c1 ZINC000001213261 555683112 /nfs/dbraw/zinc/68/31/12/555683112.db2.gz DRQBTLDIEZHXAZ-RCCKNPSSSA-N 0 0 430.460 3.891 50 0 IHAARN Cc1cc(C)cc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 ZINC000001214003 555683340 /nfs/dbraw/zinc/68/33/40/555683340.db2.gz ICBFBCYOVLPDBX-UHFFFAOYSA-N 0 0 438.505 3.866 50 0 IHAARN CC(=O)Nc1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000002072013 555735141 /nfs/dbraw/zinc/73/51/41/555735141.db2.gz OEUWUSFQESSMMI-UHFFFAOYSA-N 0 0 449.120 3.938 50 0 IHAARN COc1ccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn32)cc1OC ZINC000002374672 555773692 /nfs/dbraw/zinc/77/36/92/555773692.db2.gz RUGVLFOCRXGZSX-UHFFFAOYSA-N 0 0 428.470 3.563 50 0 IHAARN COc1ccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1OC ZINC000002389046 555774969 /nfs/dbraw/zinc/77/49/69/555774969.db2.gz ADSCIOFMDNPRCP-CQSZACIVSA-N 0 0 442.796 3.849 50 0 IHAARN COc1cc2c(cc1OC)-c1nnc(-c3cc(OC)c(OC)c(OC)c3)n1C(C)(C)C2 ZINC000002485585 555783936 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555835572 /nfs/dbraw/zinc/83/55/72/555835572.db2.gz SSBWAYMSIDGWBA-UHFFFAOYSA-N 0 0 437.569 3.830 50 0 IHAARN CCOC(=O)c1sc(NC(=S)Nc2ccc3c(c2)OCO3)c(C(=O)OCC)c1C ZINC000002851802 555839795 /nfs/dbraw/zinc/83/97/95/555839795.db2.gz QWONPBJWLPENBT-UHFFFAOYSA-N 0 0 436.511 3.948 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1Cl ZINC000002858133 555842756 /nfs/dbraw/zinc/84/27/56/555842756.db2.gz LSUMTQGIBKLQFO-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 ZINC000002860704 555844165 /nfs/dbraw/zinc/84/41/65/555844165.db2.gz JIUZAIOJHLKGDX-UHFFFAOYSA-N 0 0 442.493 3.522 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc(OC)ccc1Br ZINC000002874017 555851142 /nfs/dbraw/zinc/85/11/42/555851142.db2.gz OXRFEMXJSSSQPP-SFHVURJKSA-N 0 0 447.354 3.951 50 0 IHAARN COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000002881067 555855277 /nfs/dbraw/zinc/85/52/77/555855277.db2.gz HJPDVZAGQSPUJU-UHFFFAOYSA-N 0 0 449.912 3.829 50 0 IHAARN O=C1NC(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000002884458 555857192 /nfs/dbraw/zinc/85/71/92/555857192.db2.gz VUOBRPHNCYMIJC-UHFFFAOYSA-N 0 0 446.551 3.997 50 0 IHAARN CCc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000002985256 555873732 /nfs/dbraw/zinc/87/37/32/555873732.db2.gz HNQITIZWZGQCEP-UHFFFAOYSA-N 0 0 441.018 3.718 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000002991057 555874983 /nfs/dbraw/zinc/87/49/83/555874983.db2.gz PTMLDQNIFVLWRC-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN Cc1cccc(C)c1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000002994726 555875762 /nfs/dbraw/zinc/87/57/62/555875762.db2.gz PCALXJFFANIFKC-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002999189 555877334 /nfs/dbraw/zinc/87/73/34/555877334.db2.gz PHTUJZGSDXSRPO-UHFFFAOYSA-N 0 0 441.322 3.628 50 0 IHAARN O=C1c2ccc(Br)cc2C(=O)N1c1ccc(I)cc1 ZINC000003014247 555880341 /nfs/dbraw/zinc/88/03/41/555880341.db2.gz 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COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(F)F ZINC000003323325 555920034 /nfs/dbraw/zinc/92/00/34/555920034.db2.gz VIOVWORNBQBLQH-QPEQYQDCSA-N 0 0 435.379 3.667 50 0 IHAARN CCNC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034906214 555920286 /nfs/dbraw/zinc/92/02/86/555920286.db2.gz OIQUFDSNXKTGEE-ROUUACIJSA-N 0 0 430.574 3.699 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cc(C)c(OC)c(C)c2)C3)CC1 ZINC000034899219 555928465 /nfs/dbraw/zinc/92/84/65/555928465.db2.gz GPECYRQDSSOVCU-IBGZPJMESA-N 0 0 439.556 3.654 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003477461 555936296 /nfs/dbraw/zinc/93/62/96/555936296.db2.gz JDDWVGOTISBPAJ-UHFFFAOYSA-N 0 0 431.473 3.845 50 0 IHAARN CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccccc1 ZINC000003582775 555940192 /nfs/dbraw/zinc/94/01/92/555940192.db2.gz HPWPKIGXLHARBD-AQTBWJFISA-N 0 0 429.929 3.629 50 0 IHAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000004066619 555957809 /nfs/dbraw/zinc/95/78/09/555957809.db2.gz PXOBGQLVURFQNO-VNQQYTOKSA-N 0 0 437.290 3.538 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)ccc1OCc1ccccc1 ZINC000004113661 555963724 /nfs/dbraw/zinc/96/37/24/555963724.db2.gz ZDVOGXVGNFDBRZ-OAQYLSRUSA-N 0 0 442.537 3.808 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000004163797 555970515 /nfs/dbraw/zinc/97/05/15/555970515.db2.gz IALIIKWONGTJQF-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)no2)cc1OC ZINC000004176453 555973398 /nfs/dbraw/zinc/97/33/98/555973398.db2.gz VNCQZKANEWESMW-NSHDSACASA-N 0 0 441.509 3.896 50 0 IHAARN O=C1N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000004199432 555975565 /nfs/dbraw/zinc/97/55/65/555975565.db2.gz PNTDTKMOCWCINB-HZPDHXFCSA-N 0 0 430.835 3.971 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733563 556008862 /nfs/dbraw/zinc/00/88/62/556008862.db2.gz CTCWHUPUVSPIHS-DHIUTWEWSA-N 0 0 437.540 3.848 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CC(C)C)cc1 ZINC000004738768 556009174 /nfs/dbraw/zinc/00/91/74/556009174.db2.gz NIRPXNYMEDFVSZ-HXUWFJFHSA-N 0 0 425.485 3.526 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004977856 556025364 /nfs/dbraw/zinc/02/53/64/556025364.db2.gz RUGQHVBSJUAZKF-GAWOJFTKSA-N 0 0 430.614 3.871 50 0 IHAARN COc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c(OC)c3)CCCC2)cc1OC ZINC000005023225 556028930 /nfs/dbraw/zinc/02/89/30/556028930.db2.gz PISBTWXSSKHGPG-UHFFFAOYSA-N 0 0 429.513 3.971 50 0 biogenic IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1OC ZINC000002221827 556059767 /nfs/dbraw/zinc/05/97/67/556059767.db2.gz TXFBAEODTYAUEY-UHFFFAOYSA-N 0 0 439.493 3.984 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc(Cl)c1OCC(N)=O ZINC000010577312 556092811 /nfs/dbraw/zinc/09/28/11/556092811.db2.gz GRCHWBWNZBKPBH-UHFFFAOYSA-N 0 0 446.887 3.897 50 0 IHAARN COC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)ccc1Cl ZINC000006645359 556099894 /nfs/dbraw/zinc/09/98/94/556099894.db2.gz FFNSEUSLRJUMBR-UHFFFAOYSA-N 0 0 432.889 3.651 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@@H]2CCCO2)c1C ZINC000018596566 556114468 /nfs/dbraw/zinc/11/44/68/556114468.db2.gz PYLCSIFIFKWVBA-IRXDYDNUSA-N 0 0 442.585 3.923 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000002624291 556114848 /nfs/dbraw/zinc/11/48/48/556114848.db2.gz VUIOSEACIBBIFJ-SFHVURJKSA-N 0 0 437.521 3.509 50 0 IHAARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(I)cc1)C(=O)N2 ZINC000002642269 556116511 /nfs/dbraw/zinc/11/65/11/556116511.db2.gz PRNLVPYIRRBBMD-MRXNPFEDSA-N 0 0 435.265 3.669 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccco1 ZINC000007318726 556118190 /nfs/dbraw/zinc/11/81/90/556118190.db2.gz PGKQFYPUXDIOAN-KRWDZBQOSA-N 0 0 425.558 3.816 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1Cl ZINC000002696552 556121519 /nfs/dbraw/zinc/12/15/19/556121519.db2.gz PQHHAUBCWXPDQM-QGZVFWFLSA-N 0 0 429.856 3.879 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000002704044 556123264 /nfs/dbraw/zinc/12/32/64/556123264.db2.gz WDKGCXWODPZUGW-QFIPXVFZSA-N 0 0 427.412 3.973 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(c2=O)SCC3)cc1 ZINC000002719772 556125930 /nfs/dbraw/zinc/12/59/30/556125930.db2.gz LAKABZABDSBPFK-UHFFFAOYSA-N 0 0 437.590 3.640 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1C ZINC000002720606 556127108 /nfs/dbraw/zinc/12/71/08/556127108.db2.gz ICTKCAJEWGKYTN-UHFFFAOYSA-N 0 0 428.901 3.808 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)Nc1ccc2c(c1)OCO2 ZINC000002716509 556131068 /nfs/dbraw/zinc/13/10/68/556131068.db2.gz DAZBGPFVKCLNKJ-UHFFFAOYSA-N 0 0 448.450 3.770 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1 ZINC000002740743 556132794 /nfs/dbraw/zinc/13/27/94/556132794.db2.gz FGJXFZTYWNAZPH-UHFFFAOYSA-N 0 0 433.489 3.810 50 0 IHAARN Cn1cc(Br)c(C(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)n1 ZINC000002743416 556136413 /nfs/dbraw/zinc/13/64/13/556136413.db2.gz STLNZNBLOYJODB-UHFFFAOYSA-N 0 0 429.105 3.987 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)C(F)(F)F ZINC000002759926 556137734 /nfs/dbraw/zinc/13/77/34/556137734.db2.gz HHXMWYXBKFRVPZ-UHFFFAOYSA-N 0 0 430.404 3.995 50 0 IHAARN Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000002782552 556138300 /nfs/dbraw/zinc/13/83/00/556138300.db2.gz QPASVPAUQXUUMD-QMMMGPOBSA-N 0 0 448.904 3.995 50 0 IHAARN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccn(COc2ccc(F)cc2F)n1 ZINC000002786547 556138865 /nfs/dbraw/zinc/13/88/65/556138865.db2.gz GHXDMHVVYPWHPD-UHFFFAOYSA-N 0 0 444.829 3.743 50 0 IHAARN CCn1ncc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C ZINC000002778090 556140744 /nfs/dbraw/zinc/14/07/44/556140744.db2.gz NMOBYSADLUTMTI-UHFFFAOYSA-N 0 0 448.287 3.725 50 0 IHAARN Cc1c(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c(=O)n(-c2ccccc2)n1C ZINC000002781007 556141853 /nfs/dbraw/zinc/14/18/53/556141853.db2.gz JDTTVAWRVCPKQM-UHFFFAOYSA-N 0 0 438.438 3.594 50 0 IHAARN COc1cc(NC(=O)Cn2cc(Cl)cn2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002805212 556143411 /nfs/dbraw/zinc/14/34/11/556143411.db2.gz BZVIJNHWZZSCOF-UHFFFAOYSA-N 0 0 440.308 3.670 50 0 IHAARN CSc1nnc(C(F)(F)F)n1NC(=O)c1cc(Br)ccc1OC(F)F ZINC000002791552 556144083 /nfs/dbraw/zinc/14/40/83/556144083.db2.gz BGJZVDHTSHHZPH-UHFFFAOYSA-N 0 0 447.183 3.767 50 0 IHAARN CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 ZINC000003015439 556158316 /nfs/dbraw/zinc/15/83/16/556158316.db2.gz VXFVZKGJILBMHP-UHFFFAOYSA-N 0 0 431.492 3.678 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000008383831 556159703 /nfs/dbraw/zinc/15/97/03/556159703.db2.gz HKFWLTJYYSMFPT-FXAWDEMLSA-N 0 0 437.492 3.729 50 0 IHAARN O=c1/c(=C\c2ccncc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417871 556167763 /nfs/dbraw/zinc/16/77/63/556167763.db2.gz ATXHTPXZIHDDQC-VOSMRYOYSA-N 0 0 427.554 3.775 50 0 IHAARN O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000008424392 556167997 /nfs/dbraw/zinc/16/79/97/556167997.db2.gz VUHUMWPLMVQDLQ-FYYLOGMGSA-N 0 0 445.471 3.714 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000008441041 556176786 /nfs/dbraw/zinc/17/67/86/556176786.db2.gz GGYOGWRQNSLJHA-HZPDHXFCSA-N 0 0 441.734 3.715 50 0 IHAARN C[C@@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O ZINC000008443803 556178374 /nfs/dbraw/zinc/17/83/74/556178374.db2.gz HPIUKAZXFXVOSS-QMTHXVAHSA-N 0 0 430.140 3.718 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)c1 ZINC000008591606 556189296 /nfs/dbraw/zinc/18/92/96/556189296.db2.gz YQECKEWNAXULLP-IBGZPJMESA-N 0 0 441.459 3.577 50 0 IHAARN CCN(CC)C(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000008687370 556200183 /nfs/dbraw/zinc/20/01/83/556200183.db2.gz NTLJAYXNYZANSA-GZTJUZNOSA-N 0 0 445.313 3.817 50 0 IHAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(S(N)(=O)=O)cc1 ZINC000008871971 556230044 /nfs/dbraw/zinc/23/00/44/556230044.db2.gz UBOFENYZVTWUJH-UHFFFAOYSA-N 0 0 439.415 3.821 50 0 IHAARN CNC(=O)c1c2c(sc1NC(=O)c1nc(SC)ncc1Br)CCCC2 ZINC000008915227 556232059 /nfs/dbraw/zinc/23/20/59/556232059.db2.gz ZGTUEFIKSMYQGB-UHFFFAOYSA-N 0 0 441.376 3.513 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)cc1OC ZINC000008990525 556238781 /nfs/dbraw/zinc/23/87/81/556238781.db2.gz ASDYZCUDUJIBFQ-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000009094745 556246199 /nfs/dbraw/zinc/24/61/99/556246199.db2.gz GUZZLXBXTJGRRV-UHFFFAOYSA-N 0 0 429.444 3.927 50 0 IHAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000009095615 556246729 /nfs/dbraw/zinc/24/67/29/556246729.db2.gz HFMQLYAISFSRHO-CYBMUJFWSA-N 0 0 433.302 3.766 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)C1 ZINC000009140735 556249220 /nfs/dbraw/zinc/24/92/20/556249220.db2.gz GTYYCVUKBXVNFJ-SFHVURJKSA-N 0 0 435.476 3.641 50 0 IHAARN CC(=O)Oc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009198139 556256233 /nfs/dbraw/zinc/25/62/33/556256233.db2.gz MHCQBSDRYWGXFG-MRXNPFEDSA-N 0 0 436.493 3.545 50 0 IHAARN CC(=O)Oc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000009198126 556256259 /nfs/dbraw/zinc/25/62/59/556256259.db2.gz XUOUJPWPCKMNAR-MRXNPFEDSA-N 0 0 436.493 3.545 50 0 IHAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000009234533 556263112 /nfs/dbraw/zinc/26/31/12/556263112.db2.gz YCCRJUHTCWWISZ-LBPRGKRZSA-N 0 0 432.307 3.877 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1Cl ZINC000009238585 556264667 /nfs/dbraw/zinc/26/46/67/556264667.db2.gz CMCAZZGIYRUFJO-ZWKOTPCHSA-N 0 0 445.932 3.655 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1Cl ZINC000009238579 556264726 /nfs/dbraw/zinc/26/47/26/556264726.db2.gz MEXPRQYKFDUCBR-ROUUACIJSA-N 0 0 429.933 3.955 50 0 IHAARN O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000009260525 556268337 /nfs/dbraw/zinc/26/83/37/556268337.db2.gz MOLDDGWFYSGKOD-KGENOOAVSA-N 0 0 445.450 3.936 50 0 IHAARN Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1F ZINC000009262639 556269486 /nfs/dbraw/zinc/26/94/86/556269486.db2.gz LMABRRLHNHXPHV-UHFFFAOYSA-N 0 0 433.896 3.520 50 0 IHAARN CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O ZINC000009295960 556275143 /nfs/dbraw/zinc/27/51/43/556275143.db2.gz MTQOLMVRIXTFDX-RGEXLXHISA-N 0 0 427.478 3.744 50 0 IHAARN CCc1ccc(CN(C(=O)c2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009304528 556276264 /nfs/dbraw/zinc/27/62/64/556276264.db2.gz PWMUCTOAWSAIQH-QGZVFWFLSA-N 0 0 436.371 3.841 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009304792 556276603 /nfs/dbraw/zinc/27/66/03/556276603.db2.gz ILCHIIFNDOHHNR-PGRDOPGGSA-N 0 0 447.487 3.921 50 0 IHAARN CCOc1ccc2nc(COC(=O)c3ccccc3)c(C(=O)c3ccccc3)[n+]([O-])c2c1 ZINC000009307958 556277513 /nfs/dbraw/zinc/27/75/13/556277513.db2.gz KEBMYIFIYGVKQV-UHFFFAOYSA-N 0 0 428.444 3.855 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccncc4)nn2c1=O)CCC3)c1ccccc1 ZINC000013688270 556278119 /nfs/dbraw/zinc/27/81/19/556278119.db2.gz FMHBNJPOIZCSSS-UHFFFAOYSA-N 0 0 427.489 3.539 50 0 IHAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000009309294 556278500 /nfs/dbraw/zinc/27/85/00/556278500.db2.gz NBHYIDGRRVSMFR-UHFFFAOYSA-N 0 0 429.505 3.764 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ccn3n2)cc1 ZINC000009321210 556281088 /nfs/dbraw/zinc/28/10/88/556281088.db2.gz CAQNYTAJYHLBSK-UHFFFAOYSA-N 0 0 436.899 3.532 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)ccn3n2)cc1 ZINC000009321206 556281130 /nfs/dbraw/zinc/28/11/30/556281130.db2.gz GGWWBLVLTAXODQ-UHFFFAOYSA-N 0 0 440.862 3.993 50 0 IHAARN NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000009323290 556281465 /nfs/dbraw/zinc/28/14/65/556281465.db2.gz LSWAXGXQSBNHNN-CXUHLZMHSA-N 0 0 447.310 3.550 50 0 IHAARN COc1ccc(CCc2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)cc1OC ZINC000013692607 556282315 /nfs/dbraw/zinc/28/23/15/556282315.db2.gz UVJBEJDEZPMEJA-UHFFFAOYSA-N 0 0 426.498 3.672 50 0 IHAARN COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000013692804 556282328 /nfs/dbraw/zinc/28/23/28/556282328.db2.gz RNQZCBGGSRTSPC-ZWKOTPCHSA-N 0 0 436.986 3.619 50 0 IHAARN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000032731442 556283275 /nfs/dbraw/zinc/28/32/75/556283275.db2.gz LMGJEYRSQHVPTE-LJQANCHMSA-N 0 0 426.469 3.880 50 0 IHAARN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000009427065 556290671 /nfs/dbraw/zinc/29/06/71/556290671.db2.gz UMESEDOATIYMNT-UHFFFAOYSA-N 0 0 430.287 3.633 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000013721821 556290702 /nfs/dbraw/zinc/29/07/02/556290702.db2.gz VYVSMBFNRXJPTB-SFHVURJKSA-N 0 0 429.929 3.744 50 0 IHAARN COc1cc2c(cc1OC)n(CC(=O)c1ccc(C)cc1)c(=O)n(C1CCCCC1)c2=O ZINC000009435825 556291806 /nfs/dbraw/zinc/29/18/06/556291806.db2.gz PPPATXXQEXEIJS-UHFFFAOYSA-N 0 0 436.508 3.877 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000009459630 556293271 /nfs/dbraw/zinc/29/32/71/556293271.db2.gz PRADIHHYIZDZPE-UHFFFAOYSA-N 0 0 436.497 3.506 50 0 IHAARN CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000009525831 556296126 /nfs/dbraw/zinc/29/61/26/556296126.db2.gz DANVTJAFGIRVLJ-UHFFFAOYSA-N 0 0 425.506 3.748 50 0 IHAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OCCSC)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559813 556298307 /nfs/dbraw/zinc/29/83/07/556298307.db2.gz WLJWDJWWGNFSFK-ZDUSSCGKSA-N 0 0 433.526 3.781 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000013749353 556298800 /nfs/dbraw/zinc/29/88/00/556298800.db2.gz BDHBDQLPTJCKKN-CYBMUJFWSA-N 0 0 434.366 3.650 50 0 IHAARN COCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs/c1=N\c1ccccc1 ZINC000013751417 556299054 /nfs/dbraw/zinc/29/90/54/556299054.db2.gz FBOASDYNLUXWQT-FCQUAONHSA-N 0 0 443.594 3.880 50 0 IHAARN CCCCS(=O)(=O)CCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000013756287 556300434 /nfs/dbraw/zinc/30/04/34/556300434.db2.gz SMYQPRZUROECSG-UHFFFAOYSA-N 0 0 436.481 3.958 50 0 IHAARN CCn1c(SCC(=O)c2cccc(OC)c2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000009582717 556300701 /nfs/dbraw/zinc/30/07/01/556300701.db2.gz VYXULNFLNJSJBY-AWEZNQCLSA-N 0 0 442.516 3.912 50 0 IHAARN CC1(C)[C@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C=C(Cl)Cl ZINC000013759342 556301855 /nfs/dbraw/zinc/30/18/55/556301855.db2.gz FSGDLKDCMCTAEZ-INMHGKMJSA-N 0 0 434.360 3.933 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000032740879 556302190 /nfs/dbraw/zinc/30/21/90/556302190.db2.gz VOLDOSOHAADHTP-JOCHJYFZSA-N 0 0 425.485 3.502 50 0 IHAARN c1ccc(Cn2c(SCc3nnnn3-c3ccccc3)nnc2-c2cccnc2)cc1 ZINC000032741611 556303142 /nfs/dbraw/zinc/30/31/42/556303142.db2.gz PVEHZRLKFQHQIQ-UHFFFAOYSA-N 0 0 426.509 3.656 50 0 IHAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(C(F)(F)F)s3)nc21 ZINC000009667797 556304934 /nfs/dbraw/zinc/30/49/34/556304934.db2.gz KOGJGPUYNMZSHI-UHFFFAOYSA-N 0 0 439.448 3.601 50 0 IHAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)S(=O)(=O)c1cccs1 ZINC000032738121 556306904 /nfs/dbraw/zinc/30/69/04/556306904.db2.gz FDAZJRQNPDRKDM-UHFFFAOYSA-N 0 0 447.504 3.626 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC(=O)c3ccccc3)nc3ccccc3c2=O)cc1F ZINC000032752698 556313378 /nfs/dbraw/zinc/31/33/78/556313378.db2.gz DCLJHMIOZLKSFI-UHFFFAOYSA-N 0 0 447.491 3.882 50 0 IHAARN CCOC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000009850635 556313963 /nfs/dbraw/zinc/31/39/63/556313963.db2.gz GZYHINZUJWIMID-UHFFFAOYSA-N 0 0 434.558 3.588 50 0 IHAARN O=C(CSc1n[nH]cc2c3cc(F)ccc3nc1-2)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032752931 556314135 /nfs/dbraw/zinc/31/41/35/556314135.db2.gz XJVIVYOERHZFKL-UHFFFAOYSA-N 0 0 435.484 3.873 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753086 556314213 /nfs/dbraw/zinc/31/42/13/556314213.db2.gz UVHWQBMOWTUTJG-YLJYHZDGSA-N 0 0 442.512 3.649 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000032745308 556315129 /nfs/dbraw/zinc/31/51/29/556315129.db2.gz VKEWIOODNFFJEI-FQEVSTJZSA-N 0 0 449.580 3.595 50 0 IHAARN COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000009905438 556315938 /nfs/dbraw/zinc/31/59/38/556315938.db2.gz KWUTYEDIYRDPHR-NRFANRHFSA-N 0 0 449.511 3.848 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000032747616 556316572 /nfs/dbraw/zinc/31/65/72/556316572.db2.gz PXYDRKHGSSTFCS-SECBINFHSA-N 0 0 427.201 3.528 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)cc1 ZINC000009934032 556317466 /nfs/dbraw/zinc/31/74/66/556317466.db2.gz XSSDHBVTAHEYBO-FQEVSTJZSA-N 0 0 437.496 3.746 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000032759402 556319464 /nfs/dbraw/zinc/31/94/64/556319464.db2.gz GYDROZXPEDRGPF-MRXNPFEDSA-N 0 0 444.557 3.627 50 0 IHAARN CCc1cc2c(nc(SCc3nnnn3C3CC3)n(CCc3ccccc3)c2=O)s1 ZINC000032754520 556323802 /nfs/dbraw/zinc/32/38/02/556323802.db2.gz MHKBCNSXTFMZNC-UHFFFAOYSA-N 0 0 438.582 3.877 50 0 IHAARN CCn1c(SCC(=O)Nc2nncs2)nnc1[C@@H](C)Oc1ccc(F)cc1Cl ZINC000013875716 556325083 /nfs/dbraw/zinc/32/50/83/556325083.db2.gz ZYHDUSJXJLDWJX-SECBINFHSA-N 0 0 442.929 3.813 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c(C)c1 ZINC000013880139 556325381 /nfs/dbraw/zinc/32/53/81/556325381.db2.gz LGHWEJWVYLVASZ-UHFFFAOYSA-N 0 0 434.989 3.982 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)cc1 ZINC000010295488 556329717 /nfs/dbraw/zinc/32/97/17/556329717.db2.gz BJNXBMRAOTVHNQ-FQEVSTJZSA-N 0 0 429.484 3.837 50 0 IHAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032778004 556331215 /nfs/dbraw/zinc/33/12/15/556331215.db2.gz QZDQDGIWLJWEEK-VYFUWZELSA-N 0 0 449.576 3.763 50 0 IHAARN Cc1c([C@@H](C)NC(=O)Cn2nnc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000032765257 556332760 /nfs/dbraw/zinc/33/27/60/556332760.db2.gz RJMOFZNJZKYFOG-CYBMUJFWSA-N 0 0 428.418 3.822 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032768318 556333232 /nfs/dbraw/zinc/33/32/32/556333232.db2.gz JKEZWYCWCHQLMY-OAHLLOKOSA-N 0 0 443.494 3.984 50 0 IHAARN CC[C@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000013940222 556337564 /nfs/dbraw/zinc/33/75/64/556337564.db2.gz IYRMANQCWMEWRO-HNNXBMFYSA-N 0 0 426.941 3.893 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Br)c2)c1 ZINC000013940030 556337612 /nfs/dbraw/zinc/33/76/12/556337612.db2.gz XFXVIFJXUJZETQ-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN O=C(COCC(=O)N1CCc2ccccc2C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000013942229 556339277 /nfs/dbraw/zinc/33/92/77/556339277.db2.gz WWBSFRQEBNQFSE-UHFFFAOYSA-N 0 0 430.504 3.806 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022919192 556339937 /nfs/dbraw/zinc/33/99/37/556339937.db2.gz OIBIZCRKBUIAAR-QFIPXVFZSA-N 0 0 436.600 3.701 50 0 IHAARN COc1ccc(CCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000013944631 556342052 /nfs/dbraw/zinc/34/20/52/556342052.db2.gz BZURLQYUWMFHMA-QGZVFWFLSA-N 0 0 436.537 3.947 50 0 IHAARN CSc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011668147 556346421 /nfs/dbraw/zinc/34/64/21/556346421.db2.gz CPZOKFNFMMUKEI-GOSISDBHSA-N 0 0 426.586 3.532 50 0 IHAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3c(Br)cnn3C)c12 ZINC000013961476 556349427 /nfs/dbraw/zinc/34/94/27/556349427.db2.gz NQFYNHIKGGRFBF-UHFFFAOYSA-N 0 0 445.365 3.966 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c1 ZINC000032788307 556350355 /nfs/dbraw/zinc/35/03/55/556350355.db2.gz CRROOBNBPOOBLV-HSZRJFAPSA-N 0 0 435.568 3.692 50 0 IHAARN COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccs2)CC1 ZINC000011782654 556351416 /nfs/dbraw/zinc/35/14/16/556351416.db2.gz JWAZNMHCFOKMLQ-QFIPXVFZSA-N 0 0 446.588 3.775 50 0 IHAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N[C@H](c1ccccc1)c1ccncc1 ZINC000011785769 556353191 /nfs/dbraw/zinc/35/31/91/556353191.db2.gz JVJZDSZHROVATO-HSZRJFAPSA-N 0 0 429.455 3.575 50 0 IHAARN CC(=O)N(c1ccc(F)cc1)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000014010941 556354787 /nfs/dbraw/zinc/35/47/87/556354787.db2.gz SJZWEMSZJZETBY-NRFANRHFSA-N 0 0 443.906 3.629 50 0 IHAARN CCC(=O)N(c1ccc(F)cc1)C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000014010944 556354814 /nfs/dbraw/zinc/35/48/14/556354814.db2.gz QMBDXVPLPVTGEK-NRFANRHFSA-N 0 0 441.478 3.504 50 0 IHAARN Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCCc4cccnc4)c3)c2)c1 ZINC000011790261 556355251 /nfs/dbraw/zinc/35/52/51/556355251.db2.gz PUMKNHAXUJBHSD-UHFFFAOYSA-N 0 0 439.519 3.729 50 0 IHAARN Cn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(Br)o1 ZINC000014060984 556358980 /nfs/dbraw/zinc/35/89/80/556358980.db2.gz LTEWTCMJIXHSGQ-UHFFFAOYSA-N 0 0 428.699 3.617 50 0 IHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000014094793 556366911 /nfs/dbraw/zinc/36/69/11/556366911.db2.gz DHTYOHWEEDLCAH-HOTGVXAUSA-N 0 0 429.542 3.564 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)o2)s1 ZINC000011873850 556370357 /nfs/dbraw/zinc/37/03/57/556370357.db2.gz GCDFZNWMGJCDMS-KRWDZBQOSA-N 0 0 440.525 3.536 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cnc21 ZINC000014129097 556374231 /nfs/dbraw/zinc/37/42/31/556374231.db2.gz IOPACTZYGOFRMC-UHFFFAOYSA-N 0 0 449.536 3.743 50 0 IHAARN COc1ccc(OC)c(CC(=O)N[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 ZINC000011910038 556374699 /nfs/dbraw/zinc/37/46/99/556374699.db2.gz TXTSLKWLGIANFX-INIZCTEOSA-N 0 0 440.569 3.853 50 0 IHAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)N1CCc2ccccc2C1 ZINC000014142413 556377536 /nfs/dbraw/zinc/37/75/36/556377536.db2.gz KCDWUBCOTXFTML-UHFFFAOYSA-N 0 0 438.597 3.502 50 0 IHAARN CCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccc2cccnc21 ZINC000014165733 556379431 /nfs/dbraw/zinc/37/94/31/556379431.db2.gz CPQTXMJLJZDSAS-UHFFFAOYSA-N 0 0 435.343 3.917 50 0 IHAARN CC(C)OC(=O)C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccccc1Cl ZINC000014166399 556379757 /nfs/dbraw/zinc/37/97/57/556379757.db2.gz KFHUZNPEUNCPAG-IBGZPJMESA-N 0 0 437.968 3.861 50 0 IHAARN COc1ccc(Br)cc1-c1nc(COC(=O)CN2CCSC2=O)cs1 ZINC000014167751 556380101 /nfs/dbraw/zinc/38/01/01/556380101.db2.gz CBDBSSNWXXGHNY-UHFFFAOYSA-N 0 0 443.344 3.793 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)Cc3ccc(OC)c(OC)c3)C(C)C)n2)cc1 ZINC000004512618 556381977 /nfs/dbraw/zinc/38/19/77/556381977.db2.gz QFRUEDGRWVXJQV-UHFFFAOYSA-N 0 0 425.485 3.742 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)Nc1ccc(F)cc1 ZINC000014182868 556383030 /nfs/dbraw/zinc/38/30/30/556383030.db2.gz DPGKUMPGGGKWLT-UHFFFAOYSA-N 0 0 425.435 3.621 50 0 IHAARN O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014183151 556383165 /nfs/dbraw/zinc/38/31/65/556383165.db2.gz OAKYPTVTJUDQRQ-UHFFFAOYSA-N 0 0 428.579 3.757 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000014184727 556384808 /nfs/dbraw/zinc/38/48/08/556384808.db2.gz ZFYRBDJHZZBMBL-UHFFFAOYSA-N 0 0 437.588 3.848 50 0 IHAARN O=C(Nc1nnc(-c2ccco2)s1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014186002 556385693 /nfs/dbraw/zinc/38/56/93/556385693.db2.gz ZIUFMHCWCHXNCU-UHFFFAOYSA-N 0 0 429.461 3.809 50 0 IHAARN O=C(CN1C(=O)CSC1=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(F)ccc1F ZINC000012022816 556387084 /nfs/dbraw/zinc/38/70/84/556387084.db2.gz ZVGIDYJAVFKSLY-OAQYLSRUSA-N 0 0 441.459 3.616 50 0 IHAARN CC(C)N(CC(N)=O)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000014190406 556388164 /nfs/dbraw/zinc/38/81/64/556388164.db2.gz MGDPBUWIYICNNX-UHFFFAOYSA-N 0 0 436.375 3.735 50 0 IHAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000014197846 556389162 /nfs/dbraw/zinc/38/91/62/556389162.db2.gz BABRYUNQKRUTIO-NFBKMPQASA-N 0 0 440.590 3.647 50 0 IHAARN Cc1c(C(=O)N(C)Cc2nccs2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012037650 556390159 /nfs/dbraw/zinc/39/01/59/556390159.db2.gz QXVWFYAHWUMJGA-UHFFFAOYSA-N 0 0 430.537 3.855 50 0 IHAARN COc1ccc(-c2nn(CN(C)Cc3ccc4c(c3)OCCO4)c(=S)o2)c(OC)c1 ZINC000014201241 556391745 /nfs/dbraw/zinc/39/17/45/556391745.db2.gz KXDCBTRMAZQFJM-UHFFFAOYSA-N 0 0 429.498 3.750 50 0 IHAARN CCCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccccc1OC)[C@@H]2OC ZINC000012050450 556392066 /nfs/dbraw/zinc/39/20/66/556392066.db2.gz MNUGXPRGBZIMJD-RPWUZVMVSA-N 0 0 436.552 3.855 50 0 IHAARN CC(=O)Nc1cc(C(=O)N[C@H](C)c2nc(C)cs2)cc2ncn(CCc3ccccn3)c21 ZINC000012054042 556393226 /nfs/dbraw/zinc/39/32/26/556393226.db2.gz ZPDQROFORZRKBG-OAHLLOKOSA-N 0 0 448.552 3.888 50 0 IHAARN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)cc2ncn(CCc3ccccn3)c21 ZINC000012054044 556393241 /nfs/dbraw/zinc/39/32/41/556393241.db2.gz ZPDQROFORZRKBG-HNNXBMFYSA-N 0 0 448.552 3.888 50 0 IHAARN CSCC[C@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O ZINC000014226987 556395120 /nfs/dbraw/zinc/39/51/20/556395120.db2.gz UIZTUEKYJJUPJD-ZWKOTPCHSA-N 0 0 444.553 3.897 50 0 IHAARN CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc21 ZINC000032810285 556396387 /nfs/dbraw/zinc/39/63/87/556396387.db2.gz SWXDXKRKLJYVPB-UHFFFAOYSA-N 0 0 439.420 3.867 50 0 IHAARN Cc1cc(=O)c(C(=O)NCc2ccon2)c2n1-c1ccccc1S[C@H](c1ccccn1)C2 ZINC000012079007 556398233 /nfs/dbraw/zinc/39/82/33/556398233.db2.gz NAOHHJXQPULKMO-QFIPXVFZSA-N 0 0 444.516 3.848 50 0 IHAARN C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nn1cnc2ccccc21 ZINC000014236864 556399710 /nfs/dbraw/zinc/39/97/10/556399710.db2.gz ZNNARAIGTFKUGG-LBPRGKRZSA-N 0 0 439.566 3.605 50 0 IHAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000014241618 556401981 /nfs/dbraw/zinc/40/19/81/556401981.db2.gz QQBUNMSUCNTEGO-UHFFFAOYSA-N 0 0 434.449 3.995 50 0 IHAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2c(C)nn(C)c2C)cc1 ZINC000012092626 556402391 /nfs/dbraw/zinc/40/23/91/556402391.db2.gz FMXSDCGYFSAGSS-QFIPXVFZSA-N 0 0 435.572 3.994 50 0 IHAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2c(C)nn(C)c2C)cc1 ZINC000012092628 556402468 /nfs/dbraw/zinc/40/24/68/556402468.db2.gz FMXSDCGYFSAGSS-JOCHJYFZSA-N 0 0 435.572 3.994 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000064605057 556402928 /nfs/dbraw/zinc/40/29/28/556402928.db2.gz YOMXRUDOKLSWDX-AWEZNQCLSA-N 0 0 436.899 3.672 50 0 IHAARN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014244182 556403923 /nfs/dbraw/zinc/40/39/23/556403923.db2.gz XPILQLQIKVMJNU-FQEVSTJZSA-N 0 0 449.454 3.967 50 0 IHAARN CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000032579157 556404741 /nfs/dbraw/zinc/40/47/41/556404741.db2.gz BVQNEVWWIHGZBL-KRWDZBQOSA-N 0 0 446.642 3.945 50 0 IHAARN Cc1cccc(NC(=O)C[C@]23CSc4[nH]c(=O)sc4[C@H]2c2ccccc2OC3=O)c1 ZINC000032594664 556407696 /nfs/dbraw/zinc/40/76/96/556407696.db2.gz RTYKHDNSCSRPPR-VGSWGCGISA-N 0 0 438.530 3.917 50 0 IHAARN CN(Cc1cccc(F)c1)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000014252261 556409522 /nfs/dbraw/zinc/40/95/22/556409522.db2.gz AGTHJCTUSKULJI-UHFFFAOYSA-N 0 0 431.558 3.894 50 0 IHAARN O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014252523 556409594 /nfs/dbraw/zinc/40/95/94/556409594.db2.gz ALMQXQLJGJILQQ-UHFFFAOYSA-N 0 0 431.964 3.722 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1 ZINC000014255103 556410658 /nfs/dbraw/zinc/41/06/58/556410658.db2.gz NCPOCDOGCWRLGR-UHFFFAOYSA-N 0 0 430.545 3.726 50 0 IHAARN COc1cc(CN(C(=O)CCn2ncc(=O)c3ccccc32)C2CC2)ccc1OC(F)F ZINC000032820262 556412253 /nfs/dbraw/zinc/41/22/53/556412253.db2.gz ADUHAZUPYPCOQT-UHFFFAOYSA-N 0 0 443.450 3.588 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)OCc3nc(-c4ccc(F)cc4)no3)CC2=O)c1 ZINC000032671807 556414130 /nfs/dbraw/zinc/41/41/30/556414130.db2.gz MBOAPGVARRXXHD-CQSZACIVSA-N 0 0 427.457 3.694 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc12 ZINC000032671917 556414495 /nfs/dbraw/zinc/41/44/95/556414495.db2.gz HYQBZWQMOVPHHL-MRXNPFEDSA-N 0 0 439.566 3.794 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)[nH]n2)cc1 ZINC000014411424 556415600 /nfs/dbraw/zinc/41/56/00/556415600.db2.gz CQDXPJBXBOLWOU-UHFFFAOYSA-N 0 0 427.302 3.825 50 0 IHAARN COc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc(OC)c1Br ZINC000032830600 556417080 /nfs/dbraw/zinc/41/70/80/556417080.db2.gz IEGYELXHIHPTBC-ZDUSSCGKSA-N 0 0 445.317 3.529 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nnc5ccccn54)C3)cs2)cc1OC ZINC000032830608 556417089 /nfs/dbraw/zinc/41/70/89/556417089.db2.gz HNNSLOYCVWAIQW-INIZCTEOSA-N 0 0 449.536 3.890 50 0 IHAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)COc3ccc(C(=O)CC)cc3)c2)c1C ZINC000032832588 556417675 /nfs/dbraw/zinc/41/76/75/556417675.db2.gz QWXHJOYVESJEGD-UHFFFAOYSA-N 0 0 435.480 3.968 50 0 IHAARN CNS(=O)(=O)c1cc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1C ZINC000012947279 556417820 /nfs/dbraw/zinc/41/78/20/556417820.db2.gz FHJSNBYQYPJMLS-UHFFFAOYSA-N 0 0 431.539 3.596 50 0 IHAARN COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc(Cl)c1OC ZINC000032668289 556418147 /nfs/dbraw/zinc/41/81/47/556418147.db2.gz QNNWFCSLHZEULE-UHFFFAOYSA-N 0 0 434.924 3.536 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1F)n2CC ZINC000014493763 556419282 /nfs/dbraw/zinc/41/92/82/556419282.db2.gz WDKSFWOCHRTLON-UHFFFAOYSA-N 0 0 446.548 3.797 50 0 IHAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4nnnn4C)c3)c12 ZINC000014519393 556419740 /nfs/dbraw/zinc/41/97/40/556419740.db2.gz GSBFSCGSYRHRNY-UHFFFAOYSA-N 0 0 429.415 3.780 50 0 IHAARN Cc1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)CC[C@]43C)cc2s1 ZINC000012974350 556420309 /nfs/dbraw/zinc/42/03/09/556420309.db2.gz BYBOFAFSMMXPRD-QHCPKHFHSA-N 0 0 434.521 3.932 50 0 IHAARN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 ZINC000012974656 556420518 /nfs/dbraw/zinc/42/05/18/556420518.db2.gz STLCYJZRBKDSFN-GOSISDBHSA-N 0 0 437.359 3.771 50 0 IHAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(CO)c1)c1ccc(F)cc1 ZINC000012975515 556421040 /nfs/dbraw/zinc/42/10/40/556421040.db2.gz CTDZIAMJWHWXIL-QHCPKHFHSA-N 0 0 431.467 3.779 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012975969 556421655 /nfs/dbraw/zinc/42/16/55/556421655.db2.gz XPXFLNLMYWEHBC-UHFFFAOYSA-N 0 0 443.565 3.918 50 0 IHAARN CCC1(CC)C[C@H]1C(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1 ZINC000014533313 556421996 /nfs/dbraw/zinc/42/19/96/556421996.db2.gz PRDJSJLRXBRJPD-FQEVSTJZSA-N 0 0 437.588 3.575 50 0 IHAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000012977442 556422576 /nfs/dbraw/zinc/42/25/76/556422576.db2.gz ZSJGLLCOEURISN-UHFFFAOYSA-N 0 0 448.954 3.946 50 0 IHAARN CCn1c2ncc(NCc3ccc(C)cc3)cc2c(NC(=O)[C@H]2CCOC2)c1C(=O)OC ZINC000014534670 556422752 /nfs/dbraw/zinc/42/27/52/556422752.db2.gz JHCGVQCAMAOTDN-KRWDZBQOSA-N 0 0 436.512 3.738 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)O[C@H](C)C2 ZINC000012978474 556423121 /nfs/dbraw/zinc/42/31/21/556423121.db2.gz YICQKHGXPIJVIL-CQSZACIVSA-N 0 0 432.542 3.528 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012978641 556423369 /nfs/dbraw/zinc/42/33/69/556423369.db2.gz OSOVJZTUMJTHJB-UHFFFAOYSA-N 0 0 434.323 3.601 50 0 IHAARN C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012979568 556423655 /nfs/dbraw/zinc/42/36/55/556423655.db2.gz RORKNKFLKDSHAT-ZDUSSCGKSA-N 0 0 440.550 3.825 50 0 IHAARN CCn1c2ncc(N[C@@H](C)CC(F)(F)F)cc2c(NC(=O)[C@H]2CCOC2)c1C(=O)OC ZINC000014538777 556424624 /nfs/dbraw/zinc/42/46/24/556424624.db2.gz QEYIGZHCCNKZLU-RYUDHWBXSA-N 0 0 442.438 3.571 50 0 IHAARN O=C(c1cc(F)ccc1F)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 ZINC000014541469 556425554 /nfs/dbraw/zinc/42/55/54/556425554.db2.gz GKETXJCVHAYTNT-FQEVSTJZSA-N 0 0 443.494 3.562 50 0 IHAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(F)(F)F)cnc2n1C[C@H]1CCCO1 ZINC000014541798 556425845 /nfs/dbraw/zinc/42/58/45/556425845.db2.gz CBVFMSBYBXXYJG-BXUZGUMPSA-N 0 0 442.438 3.713 50 0 IHAARN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012984819 556426126 /nfs/dbraw/zinc/42/61/26/556426126.db2.gz RJVYEAWRRLGDII-UHFFFAOYSA-N 0 0 435.908 3.641 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012987064 556427273 /nfs/dbraw/zinc/42/72/73/556427273.db2.gz KRDMGUZHMBCXMF-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN CSCC[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000032843743 556428705 /nfs/dbraw/zinc/42/87/05/556428705.db2.gz FPBOXHFNXNWQMM-SJLPKXTDSA-N 0 0 426.567 3.976 50 0 IHAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032845285 556429400 /nfs/dbraw/zinc/42/94/00/556429400.db2.gz AADRAPCDFBEHLE-IIBYNOLFSA-N 0 0 443.494 3.597 50 0 IHAARN CCc1ccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)cc1 ZINC000012995029 556430255 /nfs/dbraw/zinc/43/02/55/556430255.db2.gz AMCPHHCDOLTREO-UHFFFAOYSA-N 0 0 446.576 3.963 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014683020 556432337 /nfs/dbraw/zinc/43/23/37/556432337.db2.gz ZNYDVLWFPHYFMS-UHFFFAOYSA-N 0 0 442.306 3.977 50 0 IHAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000013000920 556433148 /nfs/dbraw/zinc/43/31/48/556433148.db2.gz NGELAZUIPQADGI-QGZVFWFLSA-N 0 0 448.894 3.711 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(CNC(=O)NC(C)C)cc3)o2)cc1 ZINC000027832838 556433877 /nfs/dbraw/zinc/43/38/77/556433877.db2.gz QFEZVRIBWAPMGM-HNNXBMFYSA-N 0 0 438.484 3.871 50 0 IHAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)c12 ZINC000013002807 556434261 /nfs/dbraw/zinc/43/42/61/556434261.db2.gz FBUPDXSOHNMAJF-UHFFFAOYSA-N 0 0 448.454 3.965 50 0 IHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2nnsc2Cl)c1 ZINC000027940226 556435920 /nfs/dbraw/zinc/43/59/20/556435920.db2.gz IYEMIDUEUKENJN-LBPRGKRZSA-N 0 0 449.941 3.688 50 0 IHAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000027994583 556441071 /nfs/dbraw/zinc/44/10/71/556441071.db2.gz IRHWXAWEEJSIGK-OAHLLOKOSA-N 0 0 432.270 3.970 50 0 IHAARN COCCn1c2ncc(NC(C)C)cc2c(NC(=O)CCc2ccccc2)c1C(=O)OC ZINC000014746251 556441170 /nfs/dbraw/zinc/44/11/70/556441170.db2.gz RDZWQBNUOBBQRC-UHFFFAOYSA-N 0 0 438.528 3.861 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)[C@H]1CC=CCC1 ZINC000013029920 556441811 /nfs/dbraw/zinc/44/18/11/556441811.db2.gz NKTDGLNFGJEYTE-AWEZNQCLSA-N 0 0 432.464 3.707 50 0 IHAARN COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000028055931 556442975 /nfs/dbraw/zinc/44/29/75/556442975.db2.gz VZOYIUQGIAFBJQ-UHFFFAOYSA-N 0 0 426.332 3.820 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)N1CCCCCC1 ZINC000013038299 556444091 /nfs/dbraw/zinc/44/40/91/556444091.db2.gz NLUBPPQFTOGKFQ-UHFFFAOYSA-N 0 0 440.883 3.700 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000028274394 556447176 /nfs/dbraw/zinc/44/71/76/556447176.db2.gz JROGZAGYIHPXRN-QFIPXVFZSA-N 0 0 439.581 3.605 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000032862928 556447953 /nfs/dbraw/zinc/44/79/53/556447953.db2.gz UFTOOKVUQNVOQT-AWEZNQCLSA-N 0 0 425.501 3.556 50 0 IHAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)CCc2c(C)nn(C)c2C)cs1 ZINC000032862215 556448012 /nfs/dbraw/zinc/44/80/12/556448012.db2.gz ZKPYUXUEQNVFTB-UHFFFAOYSA-N 0 0 442.541 3.863 50 0 IHAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccnc1N1CCCC1 ZINC000013064125 556452276 /nfs/dbraw/zinc/45/22/76/556452276.db2.gz PZWMXJSFWHJNPG-UHFFFAOYSA-N 0 0 426.318 3.941 50 0 IHAARN Cc1nc(CN(C)C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)cs1 ZINC000014878913 556452417 /nfs/dbraw/zinc/45/24/17/556452417.db2.gz LVELDJXFWFWFSY-QHCPKHFHSA-N 0 0 443.544 3.579 50 0 IHAARN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1Cl ZINC000028330977 556452791 /nfs/dbraw/zinc/45/27/91/556452791.db2.gz HPWRMHJNLFTRLJ-KRWDZBQOSA-N 0 0 435.929 3.882 50 0 IHAARN NC(=O)[C@@H]1CC(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)=NN1c1ccccc1 ZINC000072273720 556453012 /nfs/dbraw/zinc/45/30/12/556453012.db2.gz URFCCOFOEOORHZ-QHCPKHFHSA-N 0 0 435.487 3.961 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000013095777 556456611 /nfs/dbraw/zinc/45/66/11/556456611.db2.gz SKGMKGWFPDTEGT-UHFFFAOYSA-N 0 0 432.476 3.980 50 0 IHAARN COc1ccc(-c2nnc(SCCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000032869411 556457642 /nfs/dbraw/zinc/45/76/42/556457642.db2.gz BXRNRTBOITYVLK-UHFFFAOYSA-N 0 0 440.525 3.703 50 0 IHAARN COc1ccc(C)cc1[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000013097898 556458859 /nfs/dbraw/zinc/45/88/59/556458859.db2.gz LWHBMZZXDVVHRN-UXHICEINSA-N 0 0 438.915 3.582 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000013100651 556460069 /nfs/dbraw/zinc/46/00/69/556460069.db2.gz HQGKOLHLPAREOR-UHFFFAOYSA-N 0 0 438.505 3.744 50 0 IHAARN Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1N1CCNC1=O ZINC000014948818 556460249 /nfs/dbraw/zinc/46/02/49/556460249.db2.gz VSLJSZNHLRDRET-QGZVFWFLSA-N 0 0 435.553 3.533 50 0 IHAARN CCOC(=O)c1c(C)oc2ncn(CCC(=O)Nc3c(Cl)cccc3Cl)c(=O)c21 ZINC000032871231 556460342 /nfs/dbraw/zinc/46/03/42/556460342.db2.gz JEXOUHHWKXIKJD-UHFFFAOYSA-N 0 0 438.267 3.810 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000013101724 556460683 /nfs/dbraw/zinc/46/06/83/556460683.db2.gz VRDZOQQLRHKNOJ-HNNXBMFYSA-N 0 0 442.990 3.827 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000013102233 556461128 /nfs/dbraw/zinc/46/11/28/556461128.db2.gz TZCZHTHGQCLELK-UHFFFAOYSA-N 0 0 442.475 3.913 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)C3CC3)s2)c1C ZINC000011031559 556461391 /nfs/dbraw/zinc/46/13/91/556461391.db2.gz QNBNJRNWQCSOKF-LBPRGKRZSA-N 0 0 432.498 3.646 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)c2)cs1 ZINC000013108141 556461695 /nfs/dbraw/zinc/46/16/95/556461695.db2.gz WJZYQGOKIUVNJK-MRXNPFEDSA-N 0 0 435.505 3.881 50 0 IHAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC[C@@H](c4ccncn4)C3)cc2)c1 ZINC000014955798 556462325 /nfs/dbraw/zinc/46/23/25/556462325.db2.gz BSCCSJLHIDRYDB-LJQANCHMSA-N 0 0 431.492 3.745 50 0 IHAARN Cc1nc(SCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)sc1CC(N)=O ZINC000032871366 556462411 /nfs/dbraw/zinc/46/24/11/556462411.db2.gz TVHBHVQGPORAOB-IBGZPJMESA-N 0 0 431.608 3.847 50 0 IHAARN O=C(OCCOc1ccc(F)cc1)c1cccc(C(=O)OCCOc2ccc(F)cc2)n1 ZINC000013109244 556462632 /nfs/dbraw/zinc/46/26/32/556462632.db2.gz MLUOTXQOWCTPRI-UHFFFAOYSA-N 0 0 443.402 3.831 50 0 IHAARN CC(C)n1cc(C(=O)N[C@H](C)Cc2ccsc2)c(=O)c(C(=O)N2CCC(C)CC2)c1 ZINC000014973268 556467443 /nfs/dbraw/zinc/46/74/43/556467443.db2.gz RGBZXLCNPDPEPC-QGZVFWFLSA-N 0 0 429.586 3.724 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013114856 556467555 /nfs/dbraw/zinc/46/75/55/556467555.db2.gz VSAJWMYBECEFSF-QHCPKHFHSA-N 0 0 445.611 3.654 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Sc2ncnc3sccc32)c(=O)n(-c2ccccc2)n1C ZINC000013115457 556467848 /nfs/dbraw/zinc/46/78/48/556467848.db2.gz RTALUNNDIRHPPQ-ZDUSSCGKSA-N 0 0 425.539 3.608 50 0 IHAARN c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc42)CCC3)nc1 ZINC000014976393 556468927 /nfs/dbraw/zinc/46/89/27/556468927.db2.gz IHLVSLOZUHKNMQ-UHFFFAOYSA-N 0 0 441.535 3.818 50 0 in-vitro IHAARN COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)O3)nn1 ZINC000014980736 556470558 /nfs/dbraw/zinc/47/05/58/556470558.db2.gz ZJVSUEWPXTXEIJ-KUHUBIRLSA-N 0 0 439.899 3.693 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000013118019 556471085 /nfs/dbraw/zinc/47/10/85/556471085.db2.gz HKSNYNYLXOYCOZ-UHFFFAOYSA-N 0 0 441.516 3.858 50 0 IHAARN O=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCC[C@@H]1c1cccnc1 ZINC000029297576 556472052 /nfs/dbraw/zinc/47/20/52/556472052.db2.gz RKXRPGRCOPMLQW-HSZRJFAPSA-N 0 0 425.488 3.898 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000029335477 556472538 /nfs/dbraw/zinc/47/25/38/556472538.db2.gz BEFITOFWWAQBTL-UHFFFAOYSA-N 0 0 432.885 3.752 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 ZINC000013120925 556473282 /nfs/dbraw/zinc/47/32/82/556473282.db2.gz MARHEICFEIIWMU-XMMPIXPASA-N 0 0 438.487 3.783 50 0 IHAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000013126714 556475401 /nfs/dbraw/zinc/47/54/01/556475401.db2.gz JXBHVYATASMSID-UHFFFAOYSA-N 0 0 438.509 3.553 50 0 IHAARN O=C(NC1CCCCC1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000014993524 556476244 /nfs/dbraw/zinc/47/62/44/556476244.db2.gz ISRXNKSYFUADPZ-UHFFFAOYSA-N 0 0 431.496 3.998 50 0 IHAARN O=C([C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCOCC1 ZINC000013128181 556477493 /nfs/dbraw/zinc/47/74/93/556477493.db2.gz JBHYRMAJPXLAQO-SFHVURJKSA-N 0 0 444.557 3.982 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)cc2s1 ZINC000029648932 556479491 /nfs/dbraw/zinc/47/94/91/556479491.db2.gz LDINLSAUXZVZOT-NVXWUHKLSA-N 0 0 447.582 3.939 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2O1 ZINC000029767552 556481875 /nfs/dbraw/zinc/48/18/75/556481875.db2.gz RLKJLZAUOIVCKE-HNNXBMFYSA-N 0 0 432.320 3.878 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Cl ZINC000015015639 556484903 /nfs/dbraw/zinc/48/49/03/556484903.db2.gz LPACSARIQFCCLV-LJQANCHMSA-N 0 0 432.929 3.850 50 0 IHAARN CCOC(=O)Nc1ccc2c(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)oc2c1 ZINC000013139300 556485674 /nfs/dbraw/zinc/48/56/74/556485674.db2.gz JZPFUJMSJJFLMB-UHFFFAOYSA-N 0 0 425.832 3.717 50 0 IHAARN CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C1=O ZINC000013140217 556485716 /nfs/dbraw/zinc/48/57/16/556485716.db2.gz WWJWRLOVZFUTEX-KRWDZBQOSA-N 0 0 442.903 3.721 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000029981563 556487867 /nfs/dbraw/zinc/48/78/67/556487867.db2.gz XMENYXMNBQRFNF-UHFFFAOYSA-N 0 0 435.322 3.532 50 0 IHAARN COc1ccc(OC)c(-n2c(SCC(=O)N[C@H](C)C(C)C)nc3ccccc3c2=O)c1 ZINC000013146506 556488762 /nfs/dbraw/zinc/48/87/62/556488762.db2.gz FOVVJHVMFBRWFY-OAHLLOKOSA-N 0 0 441.553 3.656 50 0 IHAARN Cc1cccc(C)c1OCCn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O ZINC000013147684 556489032 /nfs/dbraw/zinc/48/90/32/556489032.db2.gz VLTVWZDEEUEISB-UHFFFAOYSA-N 0 0 446.551 3.760 50 0 IHAARN O=C(N[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000032876615 556489368 /nfs/dbraw/zinc/48/93/68/556489368.db2.gz GUNLUMPQBDJJAC-JOCHJYFZSA-N 0 0 447.560 3.640 50 0 IHAARN CC(C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000032871716 556489549 /nfs/dbraw/zinc/48/95/49/556489549.db2.gz GNYGGMHCPIXOQW-OAQYLSRUSA-N 0 0 447.564 3.709 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O ZINC000013149108 556490736 /nfs/dbraw/zinc/49/07/36/556490736.db2.gz GPMOLHSRDIWQTK-HSZRJFAPSA-N 0 0 436.537 3.981 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc2ccccc2oc1=O ZINC000013149515 556491405 /nfs/dbraw/zinc/49/14/05/556491405.db2.gz MFNFRXZQIQFPKU-UHFFFAOYSA-N 0 0 446.912 3.873 50 0 IHAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)C2=C(C)OCCO2)CC1 ZINC000015064056 556491487 /nfs/dbraw/zinc/49/14/87/556491487.db2.gz IPRJFXXYLHCLMJ-UHFFFAOYSA-N 0 0 441.446 3.698 50 0 IHAARN Cc1nc2ccccc2c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)n1 ZINC000013150583 556492634 /nfs/dbraw/zinc/49/26/34/556492634.db2.gz RZPMTWKBZOODHI-NSHDSACASA-N 0 0 426.567 3.954 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 ZINC000030346203 556493264 /nfs/dbraw/zinc/49/32/64/556493264.db2.gz ZZLAWIPKYRUJMR-ZDUSSCGKSA-N 0 0 428.407 3.868 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CN1CSCC1=O ZINC000013163353 556493369 /nfs/dbraw/zinc/49/33/69/556493369.db2.gz HJVJMLSNSKMZCR-UHFFFAOYSA-N 0 0 440.956 3.684 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2n1 ZINC000013163781 556494420 /nfs/dbraw/zinc/49/44/20/556494420.db2.gz QEDJOYZTEDVPEB-HXUWFJFHSA-N 0 0 441.557 3.508 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000015068790 556494636 /nfs/dbraw/zinc/49/46/36/556494636.db2.gz QZLZUWQNVPPIPT-CJFMBICVSA-N 0 0 435.524 3.536 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000013163971 556495131 /nfs/dbraw/zinc/49/51/31/556495131.db2.gz PVCUPKQIXHIUIB-UHFFFAOYSA-N 0 0 448.483 3.785 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 ZINC000015070978 556495806 /nfs/dbraw/zinc/49/58/06/556495806.db2.gz LYKGGVPNJTUEKU-JOCHJYFZSA-N 0 0 441.539 3.659 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000011067628 556496660 /nfs/dbraw/zinc/49/66/60/556496660.db2.gz XQTWBTVXINTTNZ-ZDUSSCGKSA-N 0 0 449.338 3.628 50 0 IHAARN Cc1ncsc1CCC(=O)N1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000015072646 556496959 /nfs/dbraw/zinc/49/69/59/556496959.db2.gz UMGDKYKWULCHDE-UHFFFAOYSA-N 0 0 425.476 3.664 50 0 IHAARN O=C(Cc1cccc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013164734 556497086 /nfs/dbraw/zinc/49/70/86/556497086.db2.gz IKKPWLANBFFMQO-HXUWFJFHSA-N 0 0 427.504 3.827 50 0 IHAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1 ZINC000030541307 556497275 /nfs/dbraw/zinc/49/72/75/556497275.db2.gz CYRSEACCMOKZGK-LJQANCHMSA-N 0 0 436.537 3.898 50 0 IHAARN COc1cccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)c1 ZINC000015073589 556497649 /nfs/dbraw/zinc/49/76/49/556497649.db2.gz DQGHJKRCCGXTJB-UHFFFAOYSA-N 0 0 427.570 3.560 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2cccs2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015074582 556498465 /nfs/dbraw/zinc/49/84/65/556498465.db2.gz OTGOITZSIWSVQR-NRFANRHFSA-N 0 0 425.598 3.725 50 0 IHAARN COc1ccc(F)c(CN2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)c1 ZINC000015075342 556498782 /nfs/dbraw/zinc/49/87/82/556498782.db2.gz DLJOOXMWBORMCN-UHFFFAOYSA-N 0 0 428.504 3.779 50 0 IHAARN O=C(NC[C@@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1 ZINC000030590106 556498980 /nfs/dbraw/zinc/49/89/80/556498980.db2.gz VQNFTORSJDYZTR-INIZCTEOSA-N 0 0 437.569 3.650 50 0 IHAARN COc1ccc(OC[C@@H](O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000030596897 556499318 /nfs/dbraw/zinc/49/93/18/556499318.db2.gz AIBACOAINAUHNG-OAQYLSRUSA-N 0 0 444.487 3.931 50 0 IHAARN O=C(c1nc2sccn2c1CN1CCN(c2ccccn2)CC1)N1CCCCCCC1 ZINC000015077101 556499518 /nfs/dbraw/zinc/49/95/18/556499518.db2.gz XWVBINJFJIZBNR-UHFFFAOYSA-N 0 0 438.601 3.519 50 0 IHAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000030822308 556506896 /nfs/dbraw/zinc/50/68/96/556506896.db2.gz KGOFVDGUWQVJKG-VWLOTQADSA-N 0 0 443.576 3.936 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)s2)cc1 ZINC000013519076 556511790 /nfs/dbraw/zinc/51/17/90/556511790.db2.gz JXNULJJCDCKIIF-UHFFFAOYSA-N 0 0 445.522 3.740 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)Nc1cccc(Cl)c1 ZINC000013533369 556512963 /nfs/dbraw/zinc/51/29/63/556512963.db2.gz GNNSHOQOJQCGQY-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C[C@H](C)O1 ZINC000032895500 556515134 /nfs/dbraw/zinc/51/51/34/556515134.db2.gz MPFBRSTXNCCJNO-GQIGUUNPSA-N 0 0 447.988 3.897 50 0 IHAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NC[C@@H]3CCCO3)ccc2c1=O ZINC000013551690 556515243 /nfs/dbraw/zinc/51/52/43/556515243.db2.gz NJANLFZRLAKFBR-KRWDZBQOSA-N 0 0 439.464 3.576 50 0 IHAARN CSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030938163 556515449 /nfs/dbraw/zinc/51/54/49/556515449.db2.gz VUCFXSYKZVJFNC-INIZCTEOSA-N 0 0 426.947 3.618 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000013568094 556520702 /nfs/dbraw/zinc/52/07/02/556520702.db2.gz QKSLCRIDGCEEBP-MRXNPFEDSA-N 0 0 439.512 3.542 50 0 IHAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072296883 556522107 /nfs/dbraw/zinc/52/21/07/556522107.db2.gz FKLAVGFDIJYNJZ-AABGKKOBSA-N 0 0 447.576 3.747 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(C)cc2)no1 ZINC000015400489 556524216 /nfs/dbraw/zinc/52/42/16/556524216.db2.gz FHTFDXMAVKSBKO-UHFFFAOYSA-N 0 0 426.542 3.638 50 0 IHAARN Nc1ncc(Br)nc1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000072301524 556525176 /nfs/dbraw/zinc/52/51/76/556525176.db2.gz MMCSLPSSLQNUPQ-UHFFFAOYSA-N 0 0 427.237 3.756 50 0 IHAARN COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@H]2c2ccccc2)cc1 ZINC000015412602 556525433 /nfs/dbraw/zinc/52/54/33/556525433.db2.gz OBZVUSAMDXMMRO-XMMPIXPASA-N 0 0 432.476 3.834 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(I)c1 ZINC000011083299 556528451 /nfs/dbraw/zinc/52/84/51/556528451.db2.gz YNVOABRVFSBPAY-UHFFFAOYSA-N 0 0 431.277 3.808 50 0 IHAARN O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccc(Cl)cc1 ZINC000013591335 556529449 /nfs/dbraw/zinc/52/94/49/556529449.db2.gz HTEBYCCIPOPGEQ-NRFANRHFSA-N 0 0 439.943 3.906 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1nnc2ccccn21 ZINC000013592273 556530382 /nfs/dbraw/zinc/53/03/82/556530382.db2.gz VIZMQSUSCOSFQX-ZDUSSCGKSA-N 0 0 430.477 3.521 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c5c(c(=O)oc4c3C)CCC5)c2c1 ZINC000013592569 556530613 /nfs/dbraw/zinc/53/06/13/556530613.db2.gz GABUZWJQBZILGY-UHFFFAOYSA-N 0 0 446.503 3.818 50 0 IHAARN COc1cccc(NC(=O)Cn2c(C)nc3c(sc(=S)n3Cc3ccco3)c2=O)c1 ZINC000013592575 556530691 /nfs/dbraw/zinc/53/06/91/556530691.db2.gz ABUNMWKVWBJPJV-UHFFFAOYSA-N 0 0 442.522 3.586 50 0 IHAARN COc1ccc(N(CCC(=O)NC2CCCC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000015593425 556536478 /nfs/dbraw/zinc/53/64/78/556536478.db2.gz SUVYSCNPBMAFOG-UHFFFAOYSA-N 0 0 436.961 3.993 50 0 IHAARN COc1ccc(N(CCC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000015593405 556536524 /nfs/dbraw/zinc/53/65/24/556536524.db2.gz FWNCEGGONKAWAE-UHFFFAOYSA-N 0 0 430.570 3.956 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000015607738 556537744 /nfs/dbraw/zinc/53/77/44/556537744.db2.gz VHXBOYWNVBTKQE-JOCHJYFZSA-N 0 0 427.508 3.767 50 0 IHAARN COc1cccc(CNC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c1OC ZINC000032959201 556537806 /nfs/dbraw/zinc/53/78/06/556537806.db2.gz NVWUBOPFNLGWJW-UHFFFAOYSA-N 0 0 447.466 3.740 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N(c1ccccc1)C1CCCCC1 ZINC000015634520 556539246 /nfs/dbraw/zinc/53/92/46/556539246.db2.gz BTCSZLDWPQKZJT-VWLOTQADSA-N 0 0 433.508 3.582 50 0 IHAARN C[C@@H](NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 ZINC000015634562 556539307 /nfs/dbraw/zinc/53/93/07/556539307.db2.gz UDUHCMQNCWRQOK-CYBMUJFWSA-N 0 0 439.928 3.732 50 0 IHAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000032902946 556541262 /nfs/dbraw/zinc/54/12/62/556541262.db2.gz ZQFXEGDGRAVHFH-QRWLVFNGSA-N 0 0 442.441 3.798 50 0 IHAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 ZINC000032579304 556541303 /nfs/dbraw/zinc/54/13/03/556541303.db2.gz LEUZMTVWWFOUIR-UHFFFAOYSA-N 0 0 430.480 3.524 50 0 IHAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015702692 556544350 /nfs/dbraw/zinc/54/43/50/556544350.db2.gz FFJSFHNIHHQVMW-UHFFFAOYSA-N 0 0 442.468 3.579 50 0 IHAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccccc1-n1cnnn1 ZINC000032722702 556547966 /nfs/dbraw/zinc/54/79/66/556547966.db2.gz APNKZYORTFSELZ-UHFFFAOYSA-N 0 0 449.536 3.974 50 0 IHAARN O=C(CCn1cnc2onc(-c3ccccc3Cl)c2c1=O)NCCCc1ccccc1 ZINC000032933709 556549856 /nfs/dbraw/zinc/54/98/56/556549856.db2.gz NKYNQCKVVDYZSN-UHFFFAOYSA-N 0 0 436.899 3.844 50 0 IHAARN CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccc(OC)cc3OC)cc2s1 ZINC000032959749 556550232 /nfs/dbraw/zinc/55/02/32/556550232.db2.gz MGSDQHPQYJRROM-UHFFFAOYSA-N 0 0 427.526 3.911 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)c1 ZINC000015778355 556550627 /nfs/dbraw/zinc/55/06/27/556550627.db2.gz WWMQGQLEONCEIM-UHFFFAOYSA-N 0 0 434.452 3.555 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000015831083 556554651 /nfs/dbraw/zinc/55/46/51/556554651.db2.gz VYWWLYBBFDSTMH-SFHVURJKSA-N 0 0 439.936 3.691 50 0 IHAARN COc1cc(CNC(=O)c2cccnc2SCc2cc(C)on2)cc(OC)c1OC ZINC000015833685 556555253 /nfs/dbraw/zinc/55/52/53/556555253.db2.gz AHIQZPXJFFBEGE-UHFFFAOYSA-N 0 0 429.498 3.626 50 0 IHAARN CCCSc1nn(CC(=O)OCC)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839558 556556298 /nfs/dbraw/zinc/55/62/98/556556298.db2.gz YLSVRYQPNDGEPU-HSZRJFAPSA-N 0 0 440.569 3.847 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc(C)nc4oc(C)c(C)c43)CC2)c(OC)c1 ZINC000032960180 556556307 /nfs/dbraw/zinc/55/63/07/556556307.db2.gz HTYUVIFNRJPGQP-UHFFFAOYSA-N 0 0 438.528 3.698 50 0 IHAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4ccccc4F)c(=O)c32)c1 ZINC000033250029 556557066 /nfs/dbraw/zinc/55/70/66/556557066.db2.gz LPZHZLKSYXHSPJ-UHFFFAOYSA-N 0 0 442.834 3.881 50 0 IHAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 ZINC000033274420 556558550 /nfs/dbraw/zinc/55/85/50/556558550.db2.gz AIYFPPPATNDHLC-UHFFFAOYSA-N 0 0 445.429 3.931 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)o1 ZINC000015860444 556558772 /nfs/dbraw/zinc/55/87/72/556558772.db2.gz IELHKWNLVCLLIM-IBGZPJMESA-N 0 0 437.496 3.971 50 0 IHAARN COc1cccc2c1ccn2CCC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000071282963 556559617 /nfs/dbraw/zinc/55/96/17/556559617.db2.gz FYWSWMOUCHITMU-UHFFFAOYSA-N 0 0 427.526 3.609 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCc1csc(CC(=O)NC)n1)C[C@H](C)CC3 ZINC000072307083 556561425 /nfs/dbraw/zinc/56/14/25/556561425.db2.gz OXDRCPMLBTXEEJ-LLVKDONJSA-N 0 0 448.639 3.640 50 0 IHAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000032907650 556563406 /nfs/dbraw/zinc/56/34/06/556563406.db2.gz ZILXLPNMTGSQSA-UHFFFAOYSA-N 0 0 439.537 3.553 50 0 IHAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1SCc1cscn1 ZINC000032908209 556564526 /nfs/dbraw/zinc/56/45/26/556564526.db2.gz BYQTWUFUQNZETA-UHFFFAOYSA-N 0 0 426.567 3.597 50 0 IHAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCNC(=O)c1ccco1)c1ccccc1 ZINC000032908736 556566095 /nfs/dbraw/zinc/56/60/95/556566095.db2.gz HSCQEPNTGKDDPG-DEOSSOPVSA-N 0 0 433.533 3.936 50 0 IHAARN O=C(Cc1ccc2c(c1)OCCO2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000016014555 556574480 /nfs/dbraw/zinc/57/44/80/556574480.db2.gz IEBDKKLVUIMHRT-UHFFFAOYSA-N 0 0 425.872 3.895 50 0 IHAARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000072310402 556576157 /nfs/dbraw/zinc/57/61/57/556576157.db2.gz ZMMLTACASRVUST-KRWDZBQOSA-N 0 0 437.393 3.542 50 0 IHAARN CC(=O)Nc1nc(C(=O)O[C@H]2CCC[C@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000072310692 556576471 /nfs/dbraw/zinc/57/64/71/556576471.db2.gz GZCGLYCFLQKVTK-MOPGFXCFSA-N 0 0 448.976 3.655 50 0 IHAARN Cc1ccc(NC(=O)OC(C)(C)C)c(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000072311142 556577265 /nfs/dbraw/zinc/57/72/65/556577265.db2.gz GIVHXFHNGSURGH-UHFFFAOYSA-N 0 0 434.514 3.763 50 0 IHAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 ZINC000002997900 556578557 /nfs/dbraw/zinc/57/85/57/556578557.db2.gz RSZDOMKUYVCYSW-UHFFFAOYSA-N 0 0 427.353 3.807 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000016046882 556580272 /nfs/dbraw/zinc/58/02/72/556580272.db2.gz RUEGGWOHIXHIPL-IBGZPJMESA-N 0 0 434.569 3.933 50 0 IHAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000016048198 556580793 /nfs/dbraw/zinc/58/07/93/556580793.db2.gz UGUOMDJZBDZAFJ-UHFFFAOYSA-N 0 0 433.917 3.798 50 0 IHAARN CON(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)c1 ZINC000016051046 556581204 /nfs/dbraw/zinc/58/12/04/556581204.db2.gz ZDHVSSOZGSICIG-UHFFFAOYSA-N 0 0 427.478 3.667 50 0 IHAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000034856462 556584053 /nfs/dbraw/zinc/58/40/53/556584053.db2.gz JYDUXEYPPCKBKW-UHFFFAOYSA-N 0 0 426.502 3.964 50 0 IHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000034863346 556584396 /nfs/dbraw/zinc/58/43/96/556584396.db2.gz QHIGEDFREQDOAI-UHFFFAOYSA-N 0 0 445.585 3.818 50 0 IHAARN Cc1ccnc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 ZINC000034871980 556584847 /nfs/dbraw/zinc/58/48/47/556584847.db2.gz HAIPWGGYHOLOHI-UHFFFAOYSA-N 0 0 431.473 3.793 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1I ZINC000016226935 556593104 /nfs/dbraw/zinc/59/31/04/556593104.db2.gz FUYNDSXCWJEOIH-UHFFFAOYSA-N 0 0 435.308 3.823 50 0 IHAARN COCCN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115369 556593337 /nfs/dbraw/zinc/59/33/37/556593337.db2.gz TVCIOTJUNBUWHA-UHFFFAOYSA-N 0 0 448.566 3.568 50 0 IHAARN Cc1ccc(O)c(C(=O)N2CCC(C(=O)OCC(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000032913731 556594881 /nfs/dbraw/zinc/59/48/81/556594881.db2.gz JHEVBACOTFBGKF-UHFFFAOYSA-N 0 0 444.915 3.697 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016262135 556595119 /nfs/dbraw/zinc/59/51/19/556595119.db2.gz JLEVCUGRYKXOCB-IEBWSBKVSA-N 0 0 446.338 3.732 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 ZINC000016277078 556596469 /nfs/dbraw/zinc/59/64/69/556596469.db2.gz TXNQQZVZVKBVDL-UHFFFAOYSA-N 0 0 439.562 3.644 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)NCCC3=CCCCC3)CC2)cc(OC)c1OC ZINC000032974279 556596541 /nfs/dbraw/zinc/59/65/41/556596541.db2.gz UOCKATTUVVSRQL-UHFFFAOYSA-N 0 0 444.572 3.961 50 0 IHAARN CCCCCOc1cccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)c1 ZINC000100859782 556597011 /nfs/dbraw/zinc/59/70/11/556597011.db2.gz XOCKZJFNNHHFQJ-DQRAZIAOSA-N 0 0 432.567 3.953 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 ZINC000016292571 556598068 /nfs/dbraw/zinc/59/80/68/556598068.db2.gz VKKCAAJURTUPKM-NJNPRVFISA-N 0 0 428.554 3.504 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2C2CCCCC2)c1 ZINC000016295537 556598887 /nfs/dbraw/zinc/59/88/87/556598887.db2.gz KRBUNDAWUKFIAT-SFHVURJKSA-N 0 0 431.562 3.651 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037355951 556601885 /nfs/dbraw/zinc/60/18/85/556601885.db2.gz DMLVRARHXMXPED-UHFFFAOYSA-N 0 0 426.879 3.953 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nncn3CCc3cccs3)ccc21 ZINC000011107538 556604844 /nfs/dbraw/zinc/60/48/44/556604844.db2.gz JLUFMYZKKDSSHH-AWEZNQCLSA-N 0 0 426.567 3.855 50 0 IHAARN COc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3C)s2)cc1 ZINC000032987297 556607215 /nfs/dbraw/zinc/60/72/15/556607215.db2.gz QYUNJASLJDAOQY-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN C[C@@H](NC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032987522 556607649 /nfs/dbraw/zinc/60/76/49/556607649.db2.gz YLYWXGCVYULZJM-CYBMUJFWSA-N 0 0 430.917 3.838 50 0 IHAARN Cc1nnc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)s1 ZINC000032994302 556609453 /nfs/dbraw/zinc/60/94/53/556609453.db2.gz MUUDEIZQWXGODL-GOSISDBHSA-N 0 0 439.928 3.961 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016479906 556611392 /nfs/dbraw/zinc/61/13/92/556611392.db2.gz KBXYMKKJEPQAMA-UHFFFAOYSA-N 0 0 449.351 3.714 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000016581580 556616294 /nfs/dbraw/zinc/61/62/94/556616294.db2.gz PUEOVPYUZCITNZ-UHFFFAOYSA-N 0 0 431.855 3.891 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)CSc3n[nH]c(=O)n3Cc3ccccc3)c2)cs1 ZINC000016684915 556625088 /nfs/dbraw/zinc/62/50/88/556625088.db2.gz GLEGBFPCOAOJIE-UHFFFAOYSA-N 0 0 437.550 3.782 50 0 IHAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000016687786 556625725 /nfs/dbraw/zinc/62/57/25/556625725.db2.gz SMLBFKQIEPXCIN-UHFFFAOYSA-N 0 0 433.302 3.715 50 0 IHAARN COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC ZINC000060300413 556628078 /nfs/dbraw/zinc/62/80/78/556628078.db2.gz IYTJOSYSUWTJLB-LSDHHAIUSA-N 0 0 447.329 3.910 50 0 IHAARN O=c1/c(=C\c2ccc(-c3ccccc3Cl)o2)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000016730820 556631332 /nfs/dbraw/zinc/63/13/32/556631332.db2.gz LZHDDYBJJUGHDG-LDADJPATSA-N 0 0 433.876 3.639 50 0 IHAARN COc1cc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)ccc1OCc1ccccc1 ZINC000016735390 556633095 /nfs/dbraw/zinc/63/30/95/556633095.db2.gz AEXSGAQTAMAGBN-MOSHPQCFSA-N 0 0 431.473 3.546 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000016751129 556637359 /nfs/dbraw/zinc/63/73/59/556637359.db2.gz JFYWNJNAAPJASS-LJQANCHMSA-N 0 0 433.508 3.786 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000016806605 556644183 /nfs/dbraw/zinc/64/41/83/556644183.db2.gz ZCPIHXJQQDDYRO-WBVHZDCISA-N 0 0 439.936 3.771 50 0 IHAARN CC[C@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C)on1 ZINC000016808178 556644792 /nfs/dbraw/zinc/64/47/92/556644792.db2.gz GLHMGNPORDZFEK-ZDUSSCGKSA-N 0 0 436.877 3.739 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)c(C)c1 ZINC000016840144 556645522 /nfs/dbraw/zinc/64/55/22/556645522.db2.gz SKNFHQIKPHEVHV-UHFFFAOYSA-N 0 0 447.513 3.502 50 0 IHAARN C[C@@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726594 556647420 /nfs/dbraw/zinc/64/74/20/556647420.db2.gz YERLXMLWKMAWHL-OAHLLOKOSA-N 0 0 429.611 3.869 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000016858787 556647672 /nfs/dbraw/zinc/64/76/72/556647672.db2.gz QSUFIOCRSZYAFO-IOMPXFEGSA-N 0 0 448.878 3.576 50 0 IHAARN Cc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(F)cc3)c4=O)n2)cc1 ZINC000038487530 556649551 /nfs/dbraw/zinc/64/95/51/556649551.db2.gz JQLWVZLMFUMGHW-UHFFFAOYSA-N 0 0 428.423 3.903 50 0 IHAARN COCCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000011758030 556652046 /nfs/dbraw/zinc/65/20/46/556652046.db2.gz WOYFRFURXACZGC-UHFFFAOYSA-N 0 0 439.516 3.620 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 ZINC000011758607 556653230 /nfs/dbraw/zinc/65/32/30/556653230.db2.gz WAELAUDMHIMNJZ-UHFFFAOYSA-N 0 0 444.879 3.742 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032925900 556655178 /nfs/dbraw/zinc/65/51/78/556655178.db2.gz IXFVOHLHNAWDQW-RHSMWYFYSA-N 0 0 444.391 3.565 50 0 IHAARN COc1ccc(C[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 ZINC000032926159 556655195 /nfs/dbraw/zinc/65/51/95/556655195.db2.gz JATMRCCNGCXXAG-XMMPIXPASA-N 0 0 446.551 3.810 50 0 IHAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000011834910 556659188 /nfs/dbraw/zinc/65/91/88/556659188.db2.gz BRUAULIILGKKGL-UHFFFAOYSA-N 0 0 427.457 3.877 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccc1F ZINC000033011912 556660532 /nfs/dbraw/zinc/66/05/32/556660532.db2.gz KQZYKTMOTLTANO-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000011854438 556661710 /nfs/dbraw/zinc/66/17/10/556661710.db2.gz ASLSZFNZCCEWJV-UHFFFAOYSA-N 0 0 437.550 3.864 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 ZINC000011854958 556662130 /nfs/dbraw/zinc/66/21/30/556662130.db2.gz QUVWBUHGHZLPSH-UHFFFAOYSA-N 0 0 435.509 3.627 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000033013691 556663079 /nfs/dbraw/zinc/66/30/79/556663079.db2.gz IDJCKQIDDLMUTO-UHFFFAOYSA-N 0 0 445.479 3.806 50 0 IHAARN COc1ccccc1CNC(=O)CCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 ZINC000033013710 556663455 /nfs/dbraw/zinc/66/34/55/556663455.db2.gz DKHCQNDXKAZMJU-UHFFFAOYSA-N 0 0 432.480 3.534 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C(=O)OC)c1C ZINC000017098869 556663823 /nfs/dbraw/zinc/66/38/23/556663823.db2.gz ARZZXXRGCLRWIU-UHFFFAOYSA-N 0 0 434.514 3.595 50 0 IHAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)OC(C)C)ccc43)c(=O)oc21 ZINC000011866229 556666253 /nfs/dbraw/zinc/66/62/53/556666253.db2.gz VRBJWQMWHDLBQA-UHFFFAOYSA-N 0 0 436.416 3.905 50 0 biogenic IHAARN NS(=O)(=O)c1ccc(CCNC(=O)CCn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000011866548 556666697 /nfs/dbraw/zinc/66/66/97/556666697.db2.gz LEWMJVXULFQJMB-UHFFFAOYSA-N 0 0 447.560 3.705 50 0 IHAARN Cc1nc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)sc1C ZINC000044577700 556667046 /nfs/dbraw/zinc/66/70/46/556667046.db2.gz QJMXFUMKQKCFIU-UHFFFAOYSA-N 0 0 433.541 3.720 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866910 556666952 /nfs/dbraw/zinc/66/69/52/556666952.db2.gz HHJIRPBCFIQOJU-IZJXBPLLSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C ZINC000017103220 556667245 /nfs/dbraw/zinc/66/72/45/556667245.db2.gz SZIILPLQZACWFU-GFCCVEGCSA-N 0 0 439.379 3.869 50 0 IHAARN O=C(CSc1nccn2nc(-c3ccccc3)cc12)N1CCN(c2ccc(F)cc2)CC1 ZINC000017191729 556672284 /nfs/dbraw/zinc/67/22/84/556672284.db2.gz JEGLWQJZSKTPDB-UHFFFAOYSA-N 0 0 447.539 3.976 50 0 IHAARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)n2)cc1 ZINC000011915088 556674129 /nfs/dbraw/zinc/67/41/29/556674129.db2.gz OILSDAAOOJSKJQ-UHFFFAOYSA-N 0 0 440.525 3.625 50 0 IHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCc1nnc2ccccn21 ZINC000011915157 556674401 /nfs/dbraw/zinc/67/44/01/556674401.db2.gz ZFXVGGJGUPFFHV-UHFFFAOYSA-N 0 0 427.917 3.699 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000017296812 556674896 /nfs/dbraw/zinc/67/48/96/556674896.db2.gz TVELGFXONBTXQH-SCFUYMPZSA-N 0 0 436.558 3.525 50 0 IHAARN Cc1ccc(N2N=C(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)CCC2=O)cc1Cl ZINC000011954776 556676711 /nfs/dbraw/zinc/67/67/11/556676711.db2.gz UYIJWTLLDUPXHU-HNNXBMFYSA-N 0 0 439.899 3.652 50 0 IHAARN NC(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000032935679 556678498 /nfs/dbraw/zinc/67/84/98/556678498.db2.gz QAYGIYPXLZGXIY-HNNXBMFYSA-N 0 0 432.977 3.810 50 0 IHAARN COc1ccc(/C=C/C(=O)N2C[C@H](C)N(C(=O)/C=C/c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000017780132 556679306 /nfs/dbraw/zinc/67/93/06/556679306.db2.gz QCJLCFDQRHLDBA-QSTZRFFUSA-N 0 0 434.536 3.878 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)cc1C ZINC000017857596 556679768 /nfs/dbraw/zinc/67/97/68/556679768.db2.gz WUERUYXEXOPARX-YDLSIGKMSA-N 0 0 429.472 3.655 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000018190264 556686101 /nfs/dbraw/zinc/68/61/01/556686101.db2.gz GZQJIBCKPWZDCC-OAQYLSRUSA-N 0 0 426.538 3.977 50 0 IHAARN COc1cc(CC(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000010639257 556686603 /nfs/dbraw/zinc/68/66/03/556686603.db2.gz SVIZCUFKICHOOM-ZDUSSCGKSA-N 0 0 433.455 3.920 50 0 IHAARN COc1ccc(NC2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000018271446 556688723 /nfs/dbraw/zinc/68/87/23/556688723.db2.gz VOXDPCCVKHNSMP-HXUWFJFHSA-N 0 0 431.895 3.696 50 0 IHAARN C[C@@H](CC(=O)NCCC1=CCCCC1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005526 556689573 /nfs/dbraw/zinc/68/95/73/556689573.db2.gz CNTRHPPRWUWWTI-QGZVFWFLSA-N 0 0 437.519 3.595 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000010646720 556691116 /nfs/dbraw/zinc/69/11/16/556691116.db2.gz YYFDTQZTWUQGAQ-UHFFFAOYSA-N 0 0 431.492 3.959 50 0 IHAARN Cc1nn(C)c2ncc(C(=O)OCC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc12 ZINC000024198481 556691242 /nfs/dbraw/zinc/69/12/42/556691242.db2.gz HNQBEMFYOHNUOX-UHFFFAOYSA-N 0 0 438.871 3.663 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137628461 556697766 /nfs/dbraw/zinc/69/77/66/556697766.db2.gz ILJJGQCDYHLQGO-YTFSRNRJSA-N 0 0 442.471 3.833 50 0 IHAARN CCn1[nH]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1 ZINC000013615909 556703457 /nfs/dbraw/zinc/70/34/57/556703457.db2.gz AMINHRURAIRYTM-PLRJNAJWSA-N 0 0 435.915 3.959 50 0 IHAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 ZINC000071957534 556707864 /nfs/dbraw/zinc/70/78/64/556707864.db2.gz SOWJFCNTFDUUOD-UHFFFAOYSA-N 0 0 442.585 3.952 50 0 IHAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696280 556711653 /nfs/dbraw/zinc/71/16/53/556711653.db2.gz ONEWPDCMJWSNSH-UHFFFAOYSA-N 0 0 442.562 3.944 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000011138478 556719359 /nfs/dbraw/zinc/71/93/59/556719359.db2.gz FTTUONCNPSKOEW-ZDUSSCGKSA-N 0 0 447.871 3.653 50 0 IHAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)Nc3ccccc3C(N)=O)cc1)c2=O ZINC000013727313 556720578 /nfs/dbraw/zinc/72/05/78/556720578.db2.gz RXMDVQDTQASOSB-UHFFFAOYSA-N 0 0 430.416 3.945 50 0 IHAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000033037326 556722709 /nfs/dbraw/zinc/72/27/09/556722709.db2.gz QSQPZWHFSSKRHE-OAQYLSRUSA-N 0 0 436.487 3.854 50 0 IHAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2cccnc2)cc1 ZINC000061721133 556728459 /nfs/dbraw/zinc/72/84/59/556728459.db2.gz BPFGPDDISASNAL-DEOSSOPVSA-N 0 0 430.508 3.753 50 0 IHAARN O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000019335897 556738236 /nfs/dbraw/zinc/73/82/36/556738236.db2.gz SQGWDFGUZLEQRG-GOSISDBHSA-N 0 0 437.849 3.813 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)c(OC)c1OC ZINC000055252381 556739049 /nfs/dbraw/zinc/73/90/49/556739049.db2.gz UPADZLWESGFQPU-UHFFFAOYSA-N 0 0 444.919 3.738 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000010654112 556745426 /nfs/dbraw/zinc/74/54/26/556745426.db2.gz BSQRWRWXFILGLT-INIZCTEOSA-N 0 0 436.512 3.681 50 0 IHAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CCCN1CCCC1=O)CO3 ZINC000057142645 556746959 /nfs/dbraw/zinc/74/69/59/556746959.db2.gz AGGNSDKILDSCDH-UHFFFAOYSA-N 0 0 432.520 3.857 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC000005246192 556747130 /nfs/dbraw/zinc/74/71/30/556747130.db2.gz MUTGHSYPUABQSU-IBGZPJMESA-N 0 0 426.513 3.682 50 0 IHAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 ZINC000058017647 556754147 /nfs/dbraw/zinc/75/41/47/556754147.db2.gz ZCHZJZJEXZRWBB-WYMLVPIESA-N 0 0 434.517 3.899 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(N(CC)C(C)C)cc2)CC1 ZINC000058050792 556755345 /nfs/dbraw/zinc/75/53/45/556755345.db2.gz RYTXXMTZOLMDKW-UHFFFAOYSA-N 0 0 436.600 3.880 50 0 IHAARN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000058114730 556759282 /nfs/dbraw/zinc/75/92/82/556759282.db2.gz KDPNLHBQNUXOTA-IBGZPJMESA-N 0 0 428.558 3.513 50 0 IHAARN C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000058156407 556762532 /nfs/dbraw/zinc/76/25/32/556762532.db2.gz QKPPYXFWXSXZTH-MAUKXSAKSA-N 0 0 443.997 3.841 50 0 IHAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC(C(N)=O)CC3)n2)c1 ZINC000061997338 556763468 /nfs/dbraw/zinc/76/34/68/556763468.db2.gz OOXPWKMFFKGICH-UHFFFAOYSA-N 0 0 429.480 3.662 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)n2)c1 ZINC000062006947 556765103 /nfs/dbraw/zinc/76/51/03/556765103.db2.gz INSHVIXTPGEBTM-UHFFFAOYSA-N 0 0 438.915 3.881 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1 ZINC000062006942 556765113 /nfs/dbraw/zinc/76/51/13/556765113.db2.gz VBZVKCYUWOHBTN-UHFFFAOYSA-N 0 0 426.904 3.687 50 0 IHAARN Cc1ccccc1-c1cn(CC(=O)NCCc2ccc(Cl)cc2)nc1N1CCOCC1 ZINC000062006932 556765144 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CCc1c(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000059358675 556798518 /nfs/dbraw/zinc/79/85/18/556798518.db2.gz NYTDLJFXVMRKPM-CQSZACIVSA-N 0 0 433.574 3.610 50 0 IHAARN C[C@H](Oc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cn1)c1ccccc1 ZINC000059402929 556799488 /nfs/dbraw/zinc/79/94/88/556799488.db2.gz UWHBUTFETLWXKI-INIZCTEOSA-N 0 0 430.464 3.526 50 0 IHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)NC(=O)NCc1ccccc1 ZINC000002634348 556801317 /nfs/dbraw/zinc/80/13/17/556801317.db2.gz PQXHGVUXXJENPY-UHFFFAOYSA-N 0 0 431.492 3.687 50 0 IHAARN CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)s1 ZINC000072401800 556801590 /nfs/dbraw/zinc/80/15/90/556801590.db2.gz VZXMDPAPBBYZHL-DNVCBOLYSA-N 0 0 440.569 3.770 50 0 IHAARN CCOC(=O)c1csc(NC(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)n1 ZINC000072401972 556802008 /nfs/dbraw/zinc/80/20/08/556802008.db2.gz RZAWUFYPPVPAJR-UHFFFAOYSA-N 0 0 449.488 3.885 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003220455 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3.716 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(F)cc3)nc2c1 ZINC000033067985 556820324 /nfs/dbraw/zinc/82/03/24/556820324.db2.gz VXIKNCYMRIWPGN-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN O=C(NCCn1ccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000072403462 556823827 /nfs/dbraw/zinc/82/38/27/556823827.db2.gz VPRFWAIIBIRAFF-UHFFFAOYSA-N 0 0 445.972 3.512 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064893857 556828906 /nfs/dbraw/zinc/82/89/06/556828906.db2.gz XHXVVYYWOYTDJG-UHFFFAOYSA-N 0 0 439.903 3.925 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(S(N)(=O)=O)c1C ZINC000019600330 556830948 /nfs/dbraw/zinc/83/09/48/556830948.db2.gz GNONXUHMLIXYMP-OAHLLOKOSA-N 0 0 429.567 3.580 50 0 IHAARN O=S(=O)(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCN(c2ccccc2)CC1 ZINC000096602244 556837780 /nfs/dbraw/zinc/83/77/80/556837780.db2.gz KALIXRKFXFVVNP-UHFFFAOYSA-N 0 0 446.532 3.915 50 0 IHAARN CCCCc1nc2c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)n2n1 ZINC000062639799 556841445 /nfs/dbraw/zinc/84/14/45/556841445.db2.gz CZRUFDHZWGPKNL-UHFFFAOYSA-N 0 0 439.903 3.688 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nc(C)cc(C)n2)cc1 ZINC000023006655 556841487 /nfs/dbraw/zinc/84/14/87/556841487.db2.gz QPJSROVFPARBSM-UHFFFAOYSA-N 0 0 438.553 3.757 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2ccc3ncccc3c2)n1Cc1ccccc1 ZINC000067714325 556846190 /nfs/dbraw/zinc/84/61/90/556846190.db2.gz CGVLTSRTBIVEMZ-UHFFFAOYSA-N 0 0 434.565 3.905 50 0 IHAARN C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000096845428 556847564 /nfs/dbraw/zinc/84/75/64/556847564.db2.gz QKVNAISVOYKUNZ-MRXNPFEDSA-N 0 0 436.419 3.848 50 0 IHAARN COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000023011028 556848179 /nfs/dbraw/zinc/84/81/79/556848179.db2.gz UWEJTTGYLJZKHR-UHFFFAOYSA-N 0 0 443.677 3.925 50 0 IHAARN O=C(NCc1ccccc1F)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071329 556851813 /nfs/dbraw/zinc/85/18/13/556851813.db2.gz LINRWOIPVIOMLW-AWEZNQCLSA-N 0 0 431.309 3.997 50 0 IHAARN CCc1ccc(NC(=O)CN2CCN(Cc3cc(=O)oc4ccc(CC)cc34)CC2)cc1 ZINC000033088012 556855729 /nfs/dbraw/zinc/85/57/29/556855729.db2.gz IBPWWUPWLJEBEV-UHFFFAOYSA-N 0 0 433.552 3.674 50 0 IHAARN CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000033086091 556856954 /nfs/dbraw/zinc/85/69/54/556856954.db2.gz FTEDLEAXGCWKBE-UHFFFAOYSA-N 0 0 431.418 3.533 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)N1CCN(c2nc3ccccc3n2CC)CC1)c1ccccc1 ZINC000033106454 556859183 /nfs/dbraw/zinc/85/91/83/556859183.db2.gz HOUDUWFBXHBDQI-OAQYLSRUSA-N 0 0 449.555 3.582 50 0 IHAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)s1 ZINC000033113543 556860392 /nfs/dbraw/zinc/86/03/92/556860392.db2.gz YABBZPOQWOURSL-GOSISDBHSA-N 0 0 435.553 3.922 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc(COc2ccc(C(=O)N3CCCC3)cc2)s1 ZINC000033114308 556861152 /nfs/dbraw/zinc/86/11/52/556861152.db2.gz LITOQWAWVFNBAK-UHFFFAOYSA-N 0 0 426.473 3.745 50 0 IHAARN Cc1cc(N2CCC(C(=O)NCc3ccco3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033115829 556861768 /nfs/dbraw/zinc/86/17/68/556861768.db2.gz VTLAXRYXRCYMTO-UHFFFAOYSA-N 0 0 433.487 3.970 50 0 IHAARN COc1cc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc(OC)c1 ZINC000033128071 556865088 /nfs/dbraw/zinc/86/50/88/556865088.db2.gz QZMKSYXUAYGMKO-INIZCTEOSA-N 0 0 439.537 3.986 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)c1 ZINC000033128299 556865566 /nfs/dbraw/zinc/86/55/66/556865566.db2.gz CDBQQKLYQHSEQW-HNNXBMFYSA-N 0 0 425.510 3.677 50 0 IHAARN O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3 ZINC000019707846 556867714 /nfs/dbraw/zinc/86/77/14/556867714.db2.gz SXTINQDOYQNGBQ-UHFFFAOYSA-N 0 0 427.533 3.712 50 0 aggregator IHAARN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129726 556868934 /nfs/dbraw/zinc/86/89/34/556868934.db2.gz NPAWTCUEQBTEBG-UHFFFAOYSA-N 0 0 441.597 3.770 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000033153830 556878574 /nfs/dbraw/zinc/87/85/74/556878574.db2.gz IGENQOOPMAJFBC-MNAFEPAFSA-N 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Cc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)cc1 ZINC000097138945 556992036 /nfs/dbraw/zinc/99/20/36/556992036.db2.gz RLLXKIUAZBLPGS-IBGZPJMESA-N 0 0 441.329 3.593 50 0 IHAARN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000023080048 556996798 /nfs/dbraw/zinc/99/67/98/556996798.db2.gz JKABNEGQIQLXDQ-QFIPXVFZSA-N 0 0 438.531 3.928 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000011247084 556999322 /nfs/dbraw/zinc/99/93/22/556999322.db2.gz VWHITTZYOQJAIZ-KRWDZBQOSA-N 0 0 444.276 3.842 50 0 IHAARN CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023107613 557002101 /nfs/dbraw/zinc/00/21/01/557002101.db2.gz OPJHZSHJZGUPQN-HSZRJFAPSA-N 0 0 449.576 3.690 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020256372 557003738 /nfs/dbraw/zinc/00/37/38/557003738.db2.gz QWCPBHKTHMVROC-UHFFFAOYSA-N 0 0 445.519 3.964 50 0 IHAARN CCNc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125429 557007360 /nfs/dbraw/zinc/00/73/60/557007360.db2.gz ATYYXWNMBPFGNG-UHFFFAOYSA-N 0 0 431.500 3.870 50 0 IHAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4cccnc4)C3=O)CC2)cc1Cl ZINC000020311136 557007461 /nfs/dbraw/zinc/00/74/61/557007461.db2.gz AMDAVVSTZYKCLY-YBFXNURJSA-N 0 0 428.945 3.859 50 0 IHAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(N2CCN(CCO)CC2)n1)CCC4 ZINC000020357475 557011318 /nfs/dbraw/zinc/01/13/18/557011318.db2.gz LCWQBPJZPSEVHM-UHFFFAOYSA-N 0 0 443.642 3.688 50 0 IHAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc(-c3ccccc3)c12 ZINC000045992019 557017686 /nfs/dbraw/zinc/01/76/86/557017686.db2.gz IGNZVOPCYYPXLU-MRXNPFEDSA-N 0 0 444.491 3.756 50 0 IHAARN Cc1cccc(N2CCN(C(=O)Cc3cc(=O)[nH]c(SCc4ccccc4)n3)CC2)c1 ZINC000023138046 557018333 /nfs/dbraw/zinc/01/83/33/557018333.db2.gz DCQNIAYWYDDEHY-UHFFFAOYSA-N 0 0 434.565 3.674 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCc3c(C)noc3C)c2)cc1 ZINC000023135426 557018649 /nfs/dbraw/zinc/01/86/49/557018649.db2.gz AYTKFULCDGANDQ-UHFFFAOYSA-N 0 0 429.498 3.672 50 0 IHAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1 ZINC000032943982 557022300 /nfs/dbraw/zinc/02/23/00/557022300.db2.gz PKIZXCZTRREEAW-ZDUSSCGKSA-N 0 0 430.551 3.927 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1cc(F)ccc1F ZINC000046027335 557023194 /nfs/dbraw/zinc/02/31/94/557023194.db2.gz DOFFDCSNDFYXMF-UHFFFAOYSA-N 0 0 447.441 3.848 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)CCc4ccccc4)s3)cc(=O)n2c1 ZINC000046031613 557024426 /nfs/dbraw/zinc/02/44/26/557024426.db2.gz XNYVHGSAJPMWQO-UHFFFAOYSA-N 0 0 437.550 3.718 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045362 557025849 /nfs/dbraw/zinc/02/58/49/557025849.db2.gz AJCHETHYICOPOJ-QHCPKHFHSA-N 0 0 430.548 3.988 50 0 IHAARN O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NCCc1ccccc1 ZINC000046051296 557026216 /nfs/dbraw/zinc/02/62/16/557026216.db2.gz HARSNMISSVIEBX-UHFFFAOYSA-N 0 0 431.518 3.772 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)OC)n(Cc1ccccc1Cl)c2=O ZINC000010783875 557027100 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430.530 3.940 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4cccs4)C3)s2)cc1 ZINC000046124231 557037568 /nfs/dbraw/zinc/03/75/68/557037568.db2.gz LEMPCTJNVBQLES-AWEZNQCLSA-N 0 0 448.595 3.729 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000046145318 557043701 /nfs/dbraw/zinc/04/37/01/557043701.db2.gz YBXMEEHOSRDHMV-UHFFFAOYSA-N 0 0 430.570 3.576 50 0 IHAARN C[C@@H]1C[C@H](C)CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000017244991 557044074 /nfs/dbraw/zinc/04/40/74/557044074.db2.gz SVNXDWKLDMLSNG-TXEJJXNPSA-N 0 0 449.019 3.515 50 0 IHAARN CCn1c2cc(NC(=O)C(C)(C)C)c(S(=O)(=O)c3ccc(C)cc3)cc2n(CC)c1=O ZINC000046146280 557044612 /nfs/dbraw/zinc/04/46/12/557044612.db2.gz XIICMYSXQKXLNN-UHFFFAOYSA-N 0 0 443.569 3.969 50 0 IHAARN CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000051357708 557044881 /nfs/dbraw/zinc/04/48/81/557044881.db2.gz GTIKJNFYJOTJFW-UHFFFAOYSA-N 0 0 444.329 3.755 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)c(=O)oc2c1 ZINC000017263799 557047817 /nfs/dbraw/zinc/04/78/17/557047817.db2.gz LREPSIHOZGXEKS-GOSISDBHSA-N 0 0 433.504 3.859 50 0 IHAARN CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000048248605 557048180 /nfs/dbraw/zinc/04/81/80/557048180.db2.gz AMYGFRUSQUDKBH-UHFFFAOYSA-N 0 0 440.953 3.592 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1)Nc1c(F)cccc1F ZINC000033270891 557048230 /nfs/dbraw/zinc/04/82/30/557048230.db2.gz OKYPLDXRNLZCFL-UHFFFAOYSA-N 0 0 442.451 3.997 50 0 IHAARN CCc1nnc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4[nH]3)no2)s1 ZINC000033270999 557048570 /nfs/dbraw/zinc/04/85/70/557048570.db2.gz OVBWUFDDYBHYSU-UHFFFAOYSA-N 0 0 449.949 3.877 50 0 IHAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3ccccc3)oc2C)c(=O)c2cccnc21 ZINC000033271079 557048990 /nfs/dbraw/zinc/04/89/90/557048990.db2.gz JEUOQLSSARTAFE-UHFFFAOYSA-N 0 0 440.459 3.568 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000048261282 557049192 /nfs/dbraw/zinc/04/91/92/557049192.db2.gz NKUMNROOTGMRFJ-KKSFZXQISA-N 0 0 427.932 3.867 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000033271456 557049253 /nfs/dbraw/zinc/04/92/53/557049253.db2.gz GXXAZOLERSPPSO-SFHVURJKSA-N 0 0 443.511 3.722 50 0 IHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 ZINC000048262265 557049927 /nfs/dbraw/zinc/04/99/27/557049927.db2.gz BMCZFZCTOFICFN-VQIMIIECSA-N 0 0 443.569 3.661 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271755 557050099 /nfs/dbraw/zinc/05/00/99/557050099.db2.gz QNZFVEKHFMXZGN-UHFFFAOYSA-N 0 0 445.332 3.930 50 0 IHAARN COc1ccc(CNC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033271768 557050116 /nfs/dbraw/zinc/05/01/16/557050116.db2.gz NYCUDUVHFABYOU-UHFFFAOYSA-N 0 0 445.376 3.888 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 ZINC000033272185 557050728 /nfs/dbraw/zinc/05/07/28/557050728.db2.gz RHFGNYLHMCVXHF-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(OCc4ccccn4)c3)CC2)c(C)o1 ZINC000048273519 557051200 /nfs/dbraw/zinc/05/12/00/557051200.db2.gz IBKKMPHLOQYURB-UHFFFAOYSA-N 0 0 434.496 3.860 50 0 IHAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)NCc3cccc(C)c3)c(=O)c2=O)cc1 ZINC000033272507 557052222 /nfs/dbraw/zinc/05/22/22/557052222.db2.gz PBIWCLVSADCFCG-UHFFFAOYSA-N 0 0 441.531 3.535 50 0 IHAARN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000043755984 557052229 /nfs/dbraw/zinc/05/22/29/557052229.db2.gz SIYRNJPXQLKSSC-UHFFFAOYSA-N 0 0 445.519 3.720 50 0 IHAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000048287651 557053158 /nfs/dbraw/zinc/05/31/58/557053158.db2.gz KBBFJOMMOOFHRS-GOSISDBHSA-N 0 0 426.941 3.993 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000017308115 557054275 /nfs/dbraw/zinc/05/42/75/557054275.db2.gz IDVWDCBZCXIFPW-UHFFFAOYSA-N 0 0 427.530 3.794 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000048289046 557054539 /nfs/dbraw/zinc/05/45/39/557054539.db2.gz UNQPRPXAKGGBTJ-HNNXBMFYSA-N 0 0 437.393 3.746 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCNC(=O)c1ccccc1 ZINC000048290656 557055288 /nfs/dbraw/zinc/05/52/88/557055288.db2.gz PGJGWZOZKGSVFC-UHFFFAOYSA-N 0 0 445.350 3.885 50 0 IHAARN O=C(Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)c1ccco1 ZINC000022978040 557055730 /nfs/dbraw/zinc/05/57/30/557055730.db2.gz VKBAVCWZBGSZJC-UHFFFAOYSA-N 0 0 440.525 3.714 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000022983663 557055840 /nfs/dbraw/zinc/05/58/40/557055840.db2.gz ABXPPQMLJINPPF-QFIPXVFZSA-N 0 0 447.457 3.825 50 0 IHAARN CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2C)cc1 ZINC000033277009 557057798 /nfs/dbraw/zinc/05/77/98/557057798.db2.gz VPEWWKHKEOQOLT-UHFFFAOYSA-N 0 0 434.521 3.709 50 0 IHAARN CCCCS(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NCCC)cc1)n2C ZINC000033277035 557057873 /nfs/dbraw/zinc/05/78/73/557057873.db2.gz ALMVGIHEVRPFBG-UHFFFAOYSA-N 0 0 428.558 3.922 50 0 IHAARN CCOC(=O)CN(C(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 ZINC000010874331 557058803 /nfs/dbraw/zinc/05/88/03/557058803.db2.gz ODXYJAMWPBSTPI-UHFFFAOYSA-N 0 0 437.448 3.612 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000023043234 557059440 /nfs/dbraw/zinc/05/94/40/557059440.db2.gz KKYYNFKGXAGNBP-QHCPKHFHSA-N 0 0 432.520 3.677 50 0 IHAARN CCOc1ccccc1CNC(=O)CCn1cnc2c(-c3ccc(CC)cc3)noc2c1=O ZINC000033277775 557059831 /nfs/dbraw/zinc/05/98/31/557059831.db2.gz HLLHZGXZBRMPPG-UHFFFAOYSA-N 0 0 446.507 3.719 50 0 IHAARN Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1C ZINC000033279551 557062187 /nfs/dbraw/zinc/06/21/87/557062187.db2.gz CUKQABACUYNCGZ-UHFFFAOYSA-N 0 0 446.554 3.599 50 0 IHAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000023079941 557062455 /nfs/dbraw/zinc/06/24/55/557062455.db2.gz IYLNXCOAEWILIJ-HOCLYGCPSA-N 0 0 443.594 3.921 50 0 IHAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 ZINC000048301250 557062659 /nfs/dbraw/zinc/06/26/59/557062659.db2.gz JCPPGZKNCHIFSD-HXUWFJFHSA-N 0 0 438.528 3.682 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)c(C)c3)n(C)c(=O)c1n2C ZINC000033287599 557064927 /nfs/dbraw/zinc/06/49/27/557064927.db2.gz MDSHVFOTZQQWQN-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN CCn1c(SCC(=O)N(C)c2ccccc2)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287536 557064952 /nfs/dbraw/zinc/06/49/52/557064952.db2.gz VGRHGAQYVUUOOM-UHFFFAOYSA-N 0 0 436.537 3.672 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000048313674 557067612 /nfs/dbraw/zinc/06/76/12/557067612.db2.gz CHZSCSFCSCXROA-LJQANCHMSA-N 0 0 432.542 3.830 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000033282257 557067730 /nfs/dbraw/zinc/06/77/30/557067730.db2.gz DFWIPWJPABZTDS-OAQYLSRUSA-N 0 0 435.549 3.782 50 0 IHAARN O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccccc1F ZINC000033282499 557067834 /nfs/dbraw/zinc/06/78/34/557067834.db2.gz GTGYPWCVFKKXSP-UHFFFAOYSA-N 0 0 432.503 3.656 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1 ZINC000033282712 557068006 /nfs/dbraw/zinc/06/80/06/557068006.db2.gz JCZCEYJIPPNCFP-UHFFFAOYSA-N 0 0 439.581 3.836 50 0 IHAARN C[C@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccc(F)cc4Cl)c23)C1 ZINC000033289437 557070945 /nfs/dbraw/zinc/07/09/45/557070945.db2.gz VFHDJZGISBWMRA-JTQLQIEISA-N 0 0 445.907 3.662 50 0 IHAARN CCOC(=O)c1cc(C)n(CC(=O)N(c2cnn(C)c2)[C@@H](C)c2cccc(OC)c2)c1C ZINC000048344861 557071727 /nfs/dbraw/zinc/07/17/27/557071727.db2.gz ZFJQYKWKPGIDRQ-KRWDZBQOSA-N 0 0 438.528 3.818 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4ccccn4)no3)c2C)c(C)o1 ZINC000033296958 557072853 /nfs/dbraw/zinc/07/28/53/557072853.db2.gz BFKRYRTWTOFGFE-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN Cc1ccc(C)c(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000048354734 557072900 /nfs/dbraw/zinc/07/29/00/557072900.db2.gz DPKFUOXLDRRMAF-UHFFFAOYSA-N 0 0 432.450 3.639 50 0 IHAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010893831 557073843 /nfs/dbraw/zinc/07/38/43/557073843.db2.gz MOGRZECEHDSTRE-UHFFFAOYSA-N 0 0 447.607 3.589 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2s1 ZINC000033299073 557075420 /nfs/dbraw/zinc/07/54/20/557075420.db2.gz DZCHEFYBULLUOD-UHFFFAOYSA-N 0 0 428.532 3.561 50 0 IHAARN CN(C)C(=O)c1csc2nc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)cn12 ZINC000033299448 557078035 /nfs/dbraw/zinc/07/80/35/557078035.db2.gz NJQKSJKWJIKDIE-UHFFFAOYSA-N 0 0 438.484 3.921 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O ZINC000033300117 557078631 /nfs/dbraw/zinc/07/86/31/557078631.db2.gz QTMAEMLXHNVLEJ-OAHLLOKOSA-N 0 0 436.512 3.797 50 0 IHAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n3n2)cc1 ZINC000049001643 557080672 /nfs/dbraw/zinc/08/06/72/557080672.db2.gz FCSSVCOUXCXJPK-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccccc3)c2n1 ZINC000049002067 557081665 /nfs/dbraw/zinc/08/16/65/557081665.db2.gz VXBSFDMSLORXBA-UHFFFAOYSA-N 0 0 430.439 3.735 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccccc2Cl)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000048985738 557082006 /nfs/dbraw/zinc/08/20/06/557082006.db2.gz XFVKKFATGLAGHB-UHFFFAOYSA-N 0 0 437.931 3.783 50 0 IHAARN C[C@@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000011309531 557082397 /nfs/dbraw/zinc/08/23/97/557082397.db2.gz VANPONMSLNQVJH-GHMZBOCLSA-N 0 0 428.543 3.591 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 ZINC000048990610 557083735 /nfs/dbraw/zinc/08/37/35/557083735.db2.gz WGSSEAPMSVSBIH-LJQANCHMSA-N 0 0 432.524 3.694 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000033302701 557084001 /nfs/dbraw/zinc/08/40/01/557084001.db2.gz ZAWGPAYTCUSQEV-IBGZPJMESA-N 0 0 436.581 3.557 50 0 IHAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000049006083 557084860 /nfs/dbraw/zinc/08/48/60/557084860.db2.gz CZIJCFIIXHQZLL-UHFFFAOYSA-N 0 0 442.878 3.828 50 0 IHAARN O=C1CCCN1c1ccc(Cn2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)cc1 ZINC000049007430 557085679 /nfs/dbraw/zinc/08/56/79/557085679.db2.gz JVGFJBLWFOHKHF-UHFFFAOYSA-N 0 0 430.439 3.880 50 0 IHAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)NCc3ccco3)s2)c1NC(=O)C1CC1 ZINC000033306609 557085698 /nfs/dbraw/zinc/08/56/98/557085698.db2.gz QUJRGENWPJJPQH-SOFGYWHQSA-N 0 0 433.511 3.635 50 0 IHAARN CCOc1cc(Br)c(CC(=O)O[C@@H](C(N)=O)c2ccccc2)cc1OCC ZINC000010904523 557086696 /nfs/dbraw/zinc/08/66/96/557086696.db2.gz RYVJUVPMYVLVDK-LJQANCHMSA-N 0 0 436.302 3.559 50 0 IHAARN Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3csc(-c4ccccc4)n3)n2)s1 ZINC000049030793 557089309 /nfs/dbraw/zinc/08/93/09/557089309.db2.gz VRKBMOGSAVMNSG-UHFFFAOYSA-N 0 0 437.550 3.537 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn32)c1 ZINC000033309573 557092340 /nfs/dbraw/zinc/09/23/40/557092340.db2.gz ATAALEVNGRYIKO-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN COc1ccc(CCC2CCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 ZINC000010906907 557092397 /nfs/dbraw/zinc/09/23/97/557092397.db2.gz BYCSGKGTEKVFDV-UHFFFAOYSA-N 0 0 439.581 3.955 50 0 IHAARN CSc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(C)cc5C)cc4c3=O)n2)cc1 ZINC000049004320 557092532 /nfs/dbraw/zinc/09/25/32/557092532.db2.gz ZSZCJJFIMXPHLN-UHFFFAOYSA-N 0 0 444.520 3.995 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCc3nc(-c4cccc(OC)c4OC)no3)n2)cc1 ZINC000033309828 557092569 /nfs/dbraw/zinc/09/25/69/557092569.db2.gz NXONRHQASDMADJ-UHFFFAOYSA-N 0 0 448.479 3.619 50 0 IHAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000023455837 557092750 /nfs/dbraw/zinc/09/27/50/557092750.db2.gz KWVHGWLYMUIBHB-UHFFFAOYSA-N 0 0 442.899 3.766 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2oc1C(=O)NCc1ccccn1 ZINC000004762517 557093363 /nfs/dbraw/zinc/09/33/63/557093363.db2.gz OJKZYFPEHNTWLH-HZPDHXFCSA-N 0 0 441.553 3.733 50 0 IHAARN CC(C)c1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000033310604 557094302 /nfs/dbraw/zinc/09/43/02/557094302.db2.gz XBQBPAGPPNPNMK-QHCPKHFHSA-N 0 0 436.552 3.966 50 0 IHAARN O=C(CN1C(=O)COc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000023484757 557094579 /nfs/dbraw/zinc/09/45/79/557094579.db2.gz JDQYSQOKBVVFEU-SFHVURJKSA-N 0 0 431.517 3.903 50 0 IHAARN O=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000023495000 557095025 /nfs/dbraw/zinc/09/50/25/557095025.db2.gz ABFYJLNBGVUGFU-UHFFFAOYSA-N 0 0 427.548 3.992 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)c1 ZINC000033311389 557095483 /nfs/dbraw/zinc/09/54/83/557095483.db2.gz FROXBBYFNPJYDI-NRFANRHFSA-N 0 0 436.552 3.791 50 0 IHAARN CSc1ccc(CNC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000033312827 557097256 /nfs/dbraw/zinc/09/72/56/557097256.db2.gz RYIIRIQUKCMZPK-XMMPIXPASA-N 0 0 437.609 3.637 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000049401823 557097318 /nfs/dbraw/zinc/09/73/18/557097318.db2.gz YGMKGMKNRUTKRG-UHFFFAOYSA-N 0 0 432.480 3.530 50 0 IHAARN Cc1cccc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)c1 ZINC000033312920 557097565 /nfs/dbraw/zinc/09/75/65/557097565.db2.gz FVYATZMDGWYTSZ-IBGZPJMESA-N 0 0 426.582 3.705 50 0 IHAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2cccc(Cl)c2)NC1=O)Nc1ccccc1Cl ZINC000049403021 557098547 /nfs/dbraw/zinc/09/85/47/557098547.db2.gz KAIMLLCZHIYLBS-GOSISDBHSA-N 0 0 432.263 3.509 50 0 IHAARN COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c(OC)c1 ZINC000049403334 557098842 /nfs/dbraw/zinc/09/88/42/557098842.db2.gz PBSDTRKARHWXRX-UHFFFAOYSA-N 0 0 440.475 3.711 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)cc3)cccn12 ZINC000049404940 557100136 /nfs/dbraw/zinc/10/01/36/557100136.db2.gz YJYHXZVIKMPESV-UHFFFAOYSA-N 0 0 428.464 3.965 50 0 IHAARN Brc1cccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 ZINC000049405290 557100620 /nfs/dbraw/zinc/10/06/20/557100620.db2.gz CYXOAMOEVAKNLP-UHFFFAOYSA-N 0 0 427.214 3.869 50 0 IHAARN CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000072191889 557102095 /nfs/dbraw/zinc/10/20/95/557102095.db2.gz IFPNGOUZCAYVMX-CQSZACIVSA-N 0 0 444.586 3.612 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)[nH]n2)cc1 ZINC000049406695 557102181 /nfs/dbraw/zinc/10/21/81/557102181.db2.gz QFPBLWJLWKOXHU-UHFFFAOYSA-N 0 0 448.523 3.519 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000085621386 557102917 /nfs/dbraw/zinc/10/29/17/557102917.db2.gz GEDZDDHGWALOQE-SFHVURJKSA-N 0 0 431.577 3.888 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3F)c3cc(F)cc(F)c3)cn12 ZINC000049408601 557103680 /nfs/dbraw/zinc/10/36/80/557103680.db2.gz IPHYCXXJHYBPCG-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000049409676 557104931 /nfs/dbraw/zinc/10/49/31/557104931.db2.gz DMJXBAHQQPFWAH-LJQANCHMSA-N 0 0 432.572 3.999 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000049410721 557106057 /nfs/dbraw/zinc/10/60/57/557106057.db2.gz MTKIGBYRBCEJFW-UHFFFAOYSA-N 0 0 434.475 3.646 50 0 IHAARN CCCCc1c(C)n(CC(=O)Nc2cccc(OC)c2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324711 557106622 /nfs/dbraw/zinc/10/66/22/557106622.db2.gz MGTUUIIBFWFZNT-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN Cc1cc(C)cc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 ZINC000049411538 557106966 /nfs/dbraw/zinc/10/69/66/557106966.db2.gz KSRZPHMQIHILJM-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421208 557107783 /nfs/dbraw/zinc/10/77/83/557107783.db2.gz ZBYDWBXQADRCMG-SFHVURJKSA-N 0 0 445.548 3.579 50 0 IHAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000086069769 557108011 /nfs/dbraw/zinc/10/80/11/557108011.db2.gz DJZBUNSESKVPMA-UHFFFAOYSA-N 0 0 440.551 3.608 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[nH]2)C1 ZINC000049421327 557108061 /nfs/dbraw/zinc/10/80/61/557108061.db2.gz HGLRQBNUMRZUNV-HOCLYGCPSA-N 0 0 440.569 3.791 50 0 IHAARN CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1 ZINC000023714200 557109867 /nfs/dbraw/zinc/10/98/67/557109867.db2.gz ZDCPPPHRAVQCHX-UHFFFAOYSA-N 0 0 446.550 3.989 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000033327598 557110221 /nfs/dbraw/zinc/11/02/21/557110221.db2.gz IFINKNLTQZLMLI-UHFFFAOYSA-N 0 0 445.292 3.596 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3[nH]cnc31)CCCCC2 ZINC000033328719 557112363 /nfs/dbraw/zinc/11/23/63/557112363.db2.gz RSHSBJOQVLVCSI-UHFFFAOYSA-N 0 0 431.543 3.591 50 0 IHAARN COC(=O)c1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)OC)c1 ZINC000000679013 557114760 /nfs/dbraw/zinc/11/47/60/557114760.db2.gz XGSKMKQIVOSXGG-UHFFFAOYSA-N 0 0 428.510 3.684 50 0 IHAARN CCOc1ccc([C@@H](C)NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OCC ZINC000049625250 557115806 /nfs/dbraw/zinc/11/58/06/557115806.db2.gz BNMQSAFLDFAADM-CQSZACIVSA-N 0 0 427.501 3.589 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590354 557116931 /nfs/dbraw/zinc/11/69/31/557116931.db2.gz RFXKGEHXVFKYBC-DEOSSOPVSA-N 0 0 444.531 3.593 50 0 IHAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000023805592 557117312 /nfs/dbraw/zinc/11/73/12/557117312.db2.gz AFLOHYOJTFPQOW-UHFFFAOYSA-N 0 0 449.551 3.869 50 0 IHAARN O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023819955 557119079 /nfs/dbraw/zinc/11/90/79/557119079.db2.gz CXBMAWQKEOBSNE-UHFFFAOYSA-N 0 0 448.386 3.595 50 0 IHAARN CCCCN1CCN(S(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000085822555 557120262 /nfs/dbraw/zinc/12/02/62/557120262.db2.gz RPUPBSOSNITNSO-UHFFFAOYSA-N 0 0 444.532 3.649 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000024646562 557121010 /nfs/dbraw/zinc/12/10/10/557121010.db2.gz HQRFGOHKUKBHEK-UHFFFAOYSA-N 0 0 442.947 3.549 50 0 IHAARN O=C(NC1CCCCCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000023866005 557121236 /nfs/dbraw/zinc/12/12/36/557121236.db2.gz GHBYXRZWZRTUNK-QFIPXVFZSA-N 0 0 430.545 3.780 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nnc(-c3ccccc3Cl)n2)nc1 ZINC000034702279 557123479 /nfs/dbraw/zinc/12/34/79/557123479.db2.gz UZTIGCUKAXAZBT-UHFFFAOYSA-N 0 0 440.916 3.593 50 0 IHAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023907607 557124386 /nfs/dbraw/zinc/12/43/86/557124386.db2.gz YKJMNSJXDALOPR-UHFFFAOYSA-N 0 0 434.565 3.771 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccs1 ZINC000017842279 557125581 /nfs/dbraw/zinc/12/55/81/557125581.db2.gz JKAVNVSJZADHAI-INIZCTEOSA-N 0 0 432.611 3.905 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(NCc2ccccc2)ccn1 ZINC000023909450 557125926 /nfs/dbraw/zinc/12/59/26/557125926.db2.gz PFJZTMHLPBWWJI-UHFFFAOYSA-N 0 0 436.537 3.731 50 0 IHAARN COc1cc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)[nH]c(=O)c2cc1OC ZINC000023935570 557126228 /nfs/dbraw/zinc/12/62/28/557126228.db2.gz WCOYNFSPCXGCAD-AWEZNQCLSA-N 0 0 436.537 3.930 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)cc1 ZINC000023935792 557126637 /nfs/dbraw/zinc/12/66/37/557126637.db2.gz MQSLUTVNUIPNGB-SFHVURJKSA-N 0 0 429.567 3.684 50 0 IHAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2ccsc2)CC1 ZINC000023968732 557128645 /nfs/dbraw/zinc/12/86/45/557128645.db2.gz LARWFHQBMGVGAF-UHFFFAOYSA-N 0 0 429.549 3.954 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000654404 557129431 /nfs/dbraw/zinc/12/94/31/557129431.db2.gz ZOENROBWNOOKRU-HNNXBMFYSA-N 0 0 435.929 3.943 50 0 IHAARN CCc1cccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)c1 ZINC000024758617 557135028 /nfs/dbraw/zinc/13/50/28/557135028.db2.gz XGDWLLFKVPRKJI-CQSZACIVSA-N 0 0 434.277 3.845 50 0 IHAARN C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000024142287 557138619 /nfs/dbraw/zinc/13/86/19/557138619.db2.gz WRKVLZQRLXMWRW-OAHLLOKOSA-N 0 0 449.502 3.573 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)CSCC(=O)Nc1ccc(C)cc1C ZINC000024170893 557139337 /nfs/dbraw/zinc/13/93/37/557139337.db2.gz NLDIKZQQXHZLJP-MRXNPFEDSA-N 0 0 430.526 3.554 50 0 IHAARN O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1ccccc1C(F)(F)F ZINC000023260963 557142906 /nfs/dbraw/zinc/14/29/06/557142906.db2.gz BEQUSMKQZKDUEU-UHFFFAOYSA-N 0 0 445.445 3.512 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@@H](C)C2 ZINC000024317672 557143947 /nfs/dbraw/zinc/14/39/47/557143947.db2.gz LDSIEGNOAQVYSO-UWJYYQICSA-N 0 0 448.519 3.659 50 0 IHAARN Cc1cc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)nc(C(C)C)n1 ZINC000024337712 557144489 /nfs/dbraw/zinc/14/44/89/557144489.db2.gz HMGJIGLDVGSSLG-UHFFFAOYSA-N 0 0 447.377 3.764 50 0 IHAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n(C[C@@H]2CCCO2)c1C ZINC000024514142 557149751 /nfs/dbraw/zinc/14/97/51/557149751.db2.gz FBWLENZBCWSPSD-PBHICJAKSA-N 0 0 428.558 3.535 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSC(C)C)c1 ZINC000024554745 557151107 /nfs/dbraw/zinc/15/11/07/557151107.db2.gz KHKSXFYMJHMSAQ-UHFFFAOYSA-N 0 0 427.636 3.788 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000024550977 557151147 /nfs/dbraw/zinc/15/11/47/557151147.db2.gz GOWLNXFDQIGSHX-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN O=S(=O)(Nc1ccc(I)cc1)c1ccc(F)c2ncccc12 ZINC000024578701 557151801 /nfs/dbraw/zinc/15/18/01/557151801.db2.gz FGRPQQJTSKDLTI-UHFFFAOYSA-N 0 0 428.226 3.779 50 0 IHAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1 ZINC000024602031 557152825 /nfs/dbraw/zinc/15/28/25/557152825.db2.gz FBPQRLSJHHEMJC-HNNXBMFYSA-N 0 0 431.583 3.588 50 0 IHAARN Cc1cccc(CSCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000024606780 557153323 /nfs/dbraw/zinc/15/33/23/557153323.db2.gz WPPAPSIXHDXEKJ-GOSISDBHSA-N 0 0 438.640 3.507 50 0 IHAARN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024610065 557154599 /nfs/dbraw/zinc/15/45/99/557154599.db2.gz ZAMYICDGPHTQHN-UHFFFAOYSA-N 0 0 434.533 3.793 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000024663033 557157956 /nfs/dbraw/zinc/15/79/56/557157956.db2.gz QIPFMQKXARLQPZ-QGZVFWFLSA-N 0 0 432.505 3.908 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C ZINC000011537924 557160641 /nfs/dbraw/zinc/16/06/41/557160641.db2.gz UAFLYXVJAQWPBE-KEYYUXOJSA-N 0 0 431.562 3.641 50 0 IHAARN CCC(CC)[C@@H](CNC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CCOCC1 ZINC000024758819 557163978 /nfs/dbraw/zinc/16/39/78/557163978.db2.gz HCVBGTMVNGGDQG-RAFMOHDBSA-N 0 0 426.692 3.852 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000024776794 557166982 /nfs/dbraw/zinc/16/69/82/557166982.db2.gz VDVMCZRVWSINRC-UHFFFAOYSA-N 0 0 438.505 3.798 50 0 IHAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc12 ZINC000024865192 557175272 /nfs/dbraw/zinc/17/52/72/557175272.db2.gz VAUDRJYWHWFETE-HXUWFJFHSA-N 0 0 433.508 3.620 50 0 IHAARN COCCCn1c(=O)c2ccccc2nc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000011551444 557182972 /nfs/dbraw/zinc/18/29/72/557182972.db2.gz MYTRILQVZWIFMU-GOSISDBHSA-N 0 0 443.594 3.950 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cc12 ZINC000024968871 557183463 /nfs/dbraw/zinc/18/34/63/557183463.db2.gz VHPDWGHXSWMMAT-HXUWFJFHSA-N 0 0 444.576 3.680 50 0 IHAARN CCOCCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011558501 557183937 /nfs/dbraw/zinc/18/39/37/557183937.db2.gz VKZZAFBIMZIVPQ-IBGZPJMESA-N 0 0 432.521 3.693 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)c1ccccc1I)c1ccc(Cl)cc1 ZINC000024979885 557185281 /nfs/dbraw/zinc/18/52/81/557185281.db2.gz LFRFHNLPXYDPMI-LLVKDONJSA-N 0 0 442.684 3.552 50 0 IHAARN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302602 557185384 /nfs/dbraw/zinc/18/53/84/557185384.db2.gz VDLRTRCFEACPHQ-UHFFFAOYSA-N 0 0 444.586 3.954 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009303131 557185821 /nfs/dbraw/zinc/18/58/21/557185821.db2.gz AMPFFSUOWBMJGQ-UHFFFAOYSA-N 0 0 449.580 3.777 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC)cc1 ZINC000100821055 557186725 /nfs/dbraw/zinc/18/67/25/557186725.db2.gz BIYHDOULPNWRGR-DQRAZIAOSA-N 0 0 447.582 3.503 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000025107830 557195506 /nfs/dbraw/zinc/19/55/06/557195506.db2.gz UVXGELUMMUWZLQ-GOSISDBHSA-N 0 0 442.541 3.963 50 0 IHAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100872843 557195644 /nfs/dbraw/zinc/19/56/44/557195644.db2.gz QJGDNTLRFPHBBX-LNVKXUELSA-N 0 0 446.594 3.791 50 0 IHAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C ZINC000000791268 557198974 /nfs/dbraw/zinc/19/89/74/557198974.db2.gz SWKIJQSGPWPMGR-UHFFFAOYSA-N 0 0 448.504 3.666 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)NN(Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000100896239 557199307 /nfs/dbraw/zinc/19/93/07/557199307.db2.gz SOIABYWLHAPPRM-SGNDLWITSA-N 0 0 427.504 3.705 50 0 IHAARN CCn1c2c(s/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1)c(OC)ccc2OC ZINC000100908722 557199675 /nfs/dbraw/zinc/19/96/75/557199675.db2.gz XAMHLUSNENJOAV-DQRAZIAOSA-N 0 0 432.498 3.507 50 0 IHAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000025284800 557202411 /nfs/dbraw/zinc/20/24/11/557202411.db2.gz JRPZUMJEXNAKPA-QFIPXVFZSA-N 0 0 437.565 3.523 50 0 IHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000025283834 557202506 /nfs/dbraw/zinc/20/25/06/557202506.db2.gz IZLNZBRKZRRVHV-WMZOPIPTSA-N 0 0 435.567 3.580 50 0 IHAARN C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1)n1cncn1 ZINC000025294072 557203149 /nfs/dbraw/zinc/20/31/49/557203149.db2.gz PXJXYGRHXLVLCT-QGZVFWFLSA-N 0 0 439.475 3.961 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 ZINC000025296495 557203202 /nfs/dbraw/zinc/20/32/02/557203202.db2.gz OABFDSHMVUEYFW-ZDUSSCGKSA-N 0 0 438.538 3.844 50 0 IHAARN O=C(c1cc(F)c(F)cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013986716 557205815 /nfs/dbraw/zinc/20/58/15/557205815.db2.gz HBMXEOTVHPFHEP-GFCCVEGCSA-N 0 0 433.842 3.676 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025401669 557208329 /nfs/dbraw/zinc/20/83/29/557208329.db2.gz UBSHVRGKTIKWNV-QHCPKHFHSA-N 0 0 443.547 3.706 50 0 IHAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 ZINC000011612835 557208968 /nfs/dbraw/zinc/20/89/68/557208968.db2.gz NZFJKJYOYBQAHG-LJQANCHMSA-N 0 0 438.952 3.771 50 0 IHAARN O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000025445515 557210061 /nfs/dbraw/zinc/21/00/61/557210061.db2.gz YCTRVDSVAYLEMG-UHFFFAOYSA-N 0 0 433.382 3.698 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000025458238 557210729 /nfs/dbraw/zinc/21/07/29/557210729.db2.gz QSYRLCPBBTYINR-NELJVSICSA-N 0 0 436.581 3.754 50 0 IHAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000169770264 557211791 /nfs/dbraw/zinc/21/17/91/557211791.db2.gz ODTJJRDQZGXWFG-UHFFFAOYSA-N 0 0 428.895 3.740 50 0 IHAARN CCOC(=S)SCC(=O)N1CCc2ccccc2[C@H]1C1C(=O)CC(C)(C)CC1=O ZINC000101028676 557214054 /nfs/dbraw/zinc/21/40/54/557214054.db2.gz UWHUITWCFHXLCH-FQEVSTJZSA-N 0 0 433.595 3.741 50 0 IHAARN CCOCCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042118 557214985 /nfs/dbraw/zinc/21/49/85/557214985.db2.gz KTIDMKDUMLVRRJ-DQRAZIAOSA-N 0 0 432.567 3.501 50 0 IHAARN CCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000101061426 557219007 /nfs/dbraw/zinc/21/90/07/557219007.db2.gz MABKYPDBULKIMA-VZCXRCSSSA-N 0 0 431.564 3.867 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)c(F)c1 ZINC000010993599 557219377 /nfs/dbraw/zinc/21/93/77/557219377.db2.gz VVCLTHLVMZXCIK-UHFFFAOYSA-N 0 0 433.486 3.563 50 0 IHAARN C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000025702121 557222684 /nfs/dbraw/zinc/22/26/84/557222684.db2.gz GZFPESYJRXMASG-LJQANCHMSA-N 0 0 433.508 3.644 50 0 IHAARN COc1ccc(CCN(C)c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1OC ZINC000025748844 557224222 /nfs/dbraw/zinc/22/42/22/557224222.db2.gz PEMSLEWIVGVMJB-UHFFFAOYSA-N 0 0 435.590 3.585 50 0 IHAARN CC(C)c1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)c1 ZINC000025761766 557224891 /nfs/dbraw/zinc/22/48/91/557224891.db2.gz OJJFHNJFULNWHA-QHCPKHFHSA-N 0 0 447.579 3.718 50 0 IHAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(F)(F)F ZINC000011163176 557227410 /nfs/dbraw/zinc/22/74/10/557227410.db2.gz YUYMIGIWPXGKLO-UHFFFAOYSA-N 0 0 437.370 3.621 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2cc3c(c(Cl)c2)OCO3)C(C)C)c1 ZINC000011320771 557228390 /nfs/dbraw/zinc/22/83/90/557228390.db2.gz VBFHJZFVYGIBAP-IBGZPJMESA-N 0 0 449.887 3.584 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101081718 557230090 /nfs/dbraw/zinc/23/00/90/557230090.db2.gz VQCOQBCTHBUVPH-ZRBLBEILSA-N 0 0 448.450 3.894 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(Br)cc1F ZINC000025947948 557230665 /nfs/dbraw/zinc/23/06/65/557230665.db2.gz WLXDNOGXVBPRJH-UHFFFAOYSA-N 0 0 428.689 3.751 50 0 IHAARN CNC(=O)c1cccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 ZINC000025938473 557230746 /nfs/dbraw/zinc/23/07/46/557230746.db2.gz UFFGPZGIYYWDFQ-UHFFFAOYSA-N 0 0 430.533 3.916 50 0 IHAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N[C@H](C)C(C)C)c1 ZINC000011677811 557231778 /nfs/dbraw/zinc/23/17/78/557231778.db2.gz XUKWDJWIRGROTN-MRXNPFEDSA-N 0 0 444.553 3.744 50 0 IHAARN CCCCn1nc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)c2ccccc2c1=O ZINC000026045616 557233020 /nfs/dbraw/zinc/23/30/20/557233020.db2.gz AYPLJNHWGKBBOX-UHFFFAOYSA-N 0 0 428.872 3.978 50 0 IHAARN COc1ccc(-n2ncc(C(=O)Nc3ccc(C)c4ncccc34)c2C(F)(F)F)nn1 ZINC000026070716 557233587 /nfs/dbraw/zinc/23/35/87/557233587.db2.gz TYHOBNDZVWORQJ-UHFFFAOYSA-N 0 0 428.374 3.799 50 0 IHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000018040221 557234370 /nfs/dbraw/zinc/23/43/70/557234370.db2.gz WSDGXGOGPCKJPR-UHFFFAOYSA-N 0 0 444.318 3.974 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)n[nH]2)cc1 ZINC000098212506 557235729 /nfs/dbraw/zinc/23/57/29/557235729.db2.gz NYBCEHNTBIVBQV-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN COc1ccc(OC)c2c1CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)C[C@H]2O ZINC000026157763 557236440 /nfs/dbraw/zinc/23/64/40/557236440.db2.gz FRAUOEFKBBCGIT-QGZVFWFLSA-N 0 0 449.532 3.718 50 0 IHAARN CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3Br)CC2)no1 ZINC000390826673 557238902 /nfs/dbraw/zinc/23/89/02/557238902.db2.gz BCFHQWKTFALANI-UHFFFAOYSA-N 0 0 430.306 3.735 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@H]([C@@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C2)C1=O ZINC000100073780 557239992 /nfs/dbraw/zinc/23/99/92/557239992.db2.gz JQRMVDOOOSTCBW-DBYOASNMSA-N 0 0 442.515 3.955 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100095872 557240485 /nfs/dbraw/zinc/24/04/85/557240485.db2.gz VLKDPADCSJKUKA-QGZVFWFLSA-N 0 0 446.912 3.521 50 0 IHAARN O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)s1)c1ccco1 ZINC000026415714 557240665 /nfs/dbraw/zinc/24/06/65/557240665.db2.gz MRXNYYRTDNWQCM-CQSZACIVSA-N 0 0 439.493 3.755 50 0 IHAARN O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)s1)c1ccco1 ZINC000026415710 557240723 /nfs/dbraw/zinc/24/07/23/557240723.db2.gz MRXNYYRTDNWQCM-AWEZNQCLSA-N 0 0 439.493 3.755 50 0 IHAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCCCc1nc(-c2cccnc2)no1 ZINC000011005876 557241066 /nfs/dbraw/zinc/24/10/66/557241066.db2.gz OBHHWCDFBOOFMW-OAHLLOKOSA-N 0 0 437.525 3.774 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000026461397 557241908 /nfs/dbraw/zinc/24/19/08/557241908.db2.gz YYJCWEBBJSXGDC-RBZFPXEDSA-N 0 0 437.514 3.714 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccco3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000018141487 557242810 /nfs/dbraw/zinc/24/28/10/557242810.db2.gz MERCIVODUDVRBD-AFXVXQJMSA-N 0 0 440.455 3.687 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 ZINC000100155309 557244089 /nfs/dbraw/zinc/24/40/89/557244089.db2.gz KDHJCUBDYLLNSU-OAQYLSRUSA-N 0 0 427.932 3.501 50 0 IHAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 ZINC000026691527 557246792 /nfs/dbraw/zinc/24/67/92/557246792.db2.gz GUUMZHTZBKRLSD-DNVCBOLYSA-N 0 0 435.343 3.779 50 0 IHAARN NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Oc2ccccc2)c1 ZINC000026757883 557247531 /nfs/dbraw/zinc/24/75/31/557247531.db2.gz KTHFHUWELITZKS-LJQANCHMSA-N 0 0 446.463 3.548 50 0 IHAARN Cc1ccc(CNC(=O)c2cccc(Nc3nn4c(nc5ccccc5c4=O)s3)c2)o1 ZINC000032952159 557248128 /nfs/dbraw/zinc/24/81/28/557248128.db2.gz MAPBHAMSUOOTQZ-UHFFFAOYSA-N 0 0 431.477 3.879 50 0 IHAARN COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3Br)nn2c1=O ZINC000026962555 557252458 /nfs/dbraw/zinc/25/24/58/557252458.db2.gz BSDYJQQPUPBINP-CLAOVGSUSA-N 0 0 440.322 3.802 50 0 IHAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCSc1ccccc1 ZINC000018214644 557252561 /nfs/dbraw/zinc/25/25/61/557252561.db2.gz FWSZNFWXTWREPP-UHFFFAOYSA-N 0 0 447.354 3.734 50 0 IHAARN O=c1/c(=C\c2ccc(Cl)c(Cl)c2)sc2nc([C@H]3COc4ccccc4O3)nn12 ZINC000027020666 557254922 /nfs/dbraw/zinc/25/49/22/557254922.db2.gz FOOSHLSDLOPQAQ-FUXXUDPSSA-N 0 0 432.288 3.518 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000027058623 557255856 /nfs/dbraw/zinc/25/58/56/557255856.db2.gz FZBHPZDYBOOPCT-UHFFFAOYSA-N 0 0 430.508 3.572 50 0 IHAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 ZINC000101151188 557256891 /nfs/dbraw/zinc/25/68/91/557256891.db2.gz VUJWYRDCTFUKHF-OAQYLSRUSA-N 0 0 429.480 3.649 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101152073 557256939 /nfs/dbraw/zinc/25/69/39/557256939.db2.gz WIDOYZJXGXJVAM-SJLPKXTDSA-N 0 0 446.290 3.599 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc(S(N)(=O)=O)c1C ZINC000027121541 557257240 /nfs/dbraw/zinc/25/72/40/557257240.db2.gz QCDXSWGQZLCRBV-UHFFFAOYSA-N 0 0 427.551 3.890 50 0 IHAARN O=C(CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000390831596 557258532 /nfs/dbraw/zinc/25/85/32/557258532.db2.gz STNQFKAIHSQOBK-FQEVSTJZSA-N 0 0 437.920 3.830 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027242355 557259096 /nfs/dbraw/zinc/25/90/96/557259096.db2.gz AADRAPCDFBEHLE-IERDGZPVSA-N 0 0 443.494 3.597 50 0 IHAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000027546969 557264815 /nfs/dbraw/zinc/26/48/15/557264815.db2.gz JJUKQTIASWHTIG-KRWDZBQOSA-N 0 0 429.476 3.939 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=S)NCC)C2=O)cc1 ZINC000100578666 557265370 /nfs/dbraw/zinc/26/53/70/557265370.db2.gz WJTAUHNOACYZCB-OAQYLSRUSA-N 0 0 439.581 3.546 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000100594160 557265675 /nfs/dbraw/zinc/26/56/75/557265675.db2.gz PPLRFVYTEQPNJM-UHFFFAOYSA-N 0 0 433.464 3.713 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000046074784 557266171 /nfs/dbraw/zinc/26/61/71/557266171.db2.gz DRWCHDUYFLWJAT-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)ccc2N2CCOCC2)cc1 ZINC000100630505 557266749 /nfs/dbraw/zinc/26/67/49/557266749.db2.gz LXLMNQYOCCULEM-OYRHEFFESA-N 0 0 445.519 3.540 50 0 IHAARN Cc1cc(=O)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000027605746 557267566 /nfs/dbraw/zinc/26/75/66/557267566.db2.gz ZTNJMXIKPKKOCR-SFHVURJKSA-N 0 0 442.972 3.823 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000825837 557268790 /nfs/dbraw/zinc/26/87/90/557268790.db2.gz ZVGURVBYAIYJJW-GOSISDBHSA-N 0 0 445.269 3.549 50 0 IHAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 ZINC000000823182 557268867 /nfs/dbraw/zinc/26/88/67/557268867.db2.gz WDIAXPDCLROMOV-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000825838 557268872 /nfs/dbraw/zinc/26/88/72/557268872.db2.gz ZVGURVBYAIYJJW-SFHVURJKSA-N 0 0 445.269 3.549 50 0 IHAARN Cc1ccc(C2=N/C(=C/c3cc4c(cc3Br)OCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000000823935 557269131 /nfs/dbraw/zinc/26/91/31/557269131.db2.gz WHRWEOHEIAOAOZ-YIXHJXPBSA-N 0 0 431.198 3.739 50 0 IHAARN CCOC(=O)c1ccoc1COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000032954555 557271921 /nfs/dbraw/zinc/27/19/21/557271921.db2.gz BWAVOSMNWYDKPI-UHFFFAOYSA-N 0 0 436.416 3.816 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100772748 557276256 /nfs/dbraw/zinc/27/62/56/557276256.db2.gz OXUAIQLLSKQZEX-QRVBRYPASA-N 0 0 432.307 3.538 50 0 IHAARN CCCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs/c1=N/c1ccccc1 ZINC000101342236 557279127 /nfs/dbraw/zinc/27/91/27/557279127.db2.gz LLKIAFYGTQYMLA-GHVJWSGMSA-N 0 0 443.594 3.880 50 0 IHAARN CCOC(=O)C(C=Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)OCC ZINC000100948034 557279457 /nfs/dbraw/zinc/27/94/57/557279457.db2.gz HVFUPXCDRVBHJH-UHFFFAOYSA-N 0 0 425.304 3.995 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000101083941 557282561 /nfs/dbraw/zinc/28/25/61/557282561.db2.gz ARZHICNHPZMVIN-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)c2)cs1 ZINC000014021154 557284405 /nfs/dbraw/zinc/28/44/05/557284405.db2.gz GIVYWPSSEAKYCA-UHFFFAOYSA-N 0 0 434.521 3.614 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cc1 ZINC000011665575 557285774 /nfs/dbraw/zinc/28/57/74/557285774.db2.gz QKUKNZDXZLCONV-UHFFFAOYSA-N 0 0 442.504 3.963 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000101521892 557290772 /nfs/dbraw/zinc/29/07/72/557290772.db2.gz GKBURKNMMIOUNU-QUSZTMMRSA-N 0 0 447.579 3.828 50 0 IHAARN O=C(c1cc(Br)c(Br)s1)N1CCN(c2ccccn2)CC1 ZINC000013114447 557296348 /nfs/dbraw/zinc/29/63/48/557296348.db2.gz DKWLKDVFAVQIKR-UHFFFAOYSA-N 0 0 431.153 3.631 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(CNc4cccc(C(F)(F)F)c4)cc3=O)[nH]2)cc1 ZINC000101796027 557298631 /nfs/dbraw/zinc/29/86/31/557298631.db2.gz KVGPVPMIIKECJZ-UHFFFAOYSA-N 0 0 428.418 3.969 50 0 IHAARN O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2cccc(Br)c2)no1 ZINC000049006399 557299124 /nfs/dbraw/zinc/29/91/24/557299124.db2.gz BCZXRAAJNSSBQG-UHFFFAOYSA-N 0 0 431.196 3.990 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014086653 557300287 /nfs/dbraw/zinc/30/02/87/557300287.db2.gz WYJSVQSGZPUGKX-JOCHJYFZSA-N 0 0 446.576 3.905 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc2cnccc21 ZINC000011666891 557302155 /nfs/dbraw/zinc/30/21/55/557302155.db2.gz IKCLKYYIWRANCU-UHFFFAOYSA-N 0 0 425.510 3.670 50 0 IHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c(C)c1 ZINC000014094561 557302679 /nfs/dbraw/zinc/30/26/79/557302679.db2.gz RNCUKFYYXUTYCI-UHFFFAOYSA-N 0 0 443.352 3.883 50 0 IHAARN COc1cccc(CN(C(=O)C(C)C)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)c1 ZINC000101878296 557304301 /nfs/dbraw/zinc/30/43/01/557304301.db2.gz QHAQFZWWTMPNKN-UHFFFAOYSA-N 0 0 445.523 3.515 50 0 IHAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)cc1 ZINC000101881326 557305328 /nfs/dbraw/zinc/30/53/28/557305328.db2.gz VRAYTACSKGJCHD-UHFFFAOYSA-N 0 0 426.520 3.997 50 0 IHAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1 ZINC000101881486 557305390 /nfs/dbraw/zinc/30/53/90/557305390.db2.gz DCKUYGSAFSXYEL-UHFFFAOYSA-N 0 0 448.910 3.918 50 0 IHAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000102695220 557305536 /nfs/dbraw/zinc/30/55/36/557305536.db2.gz OHNHTPFJJGKPLR-XYJFISCASA-N 0 0 438.530 3.549 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102745166 557306823 /nfs/dbraw/zinc/30/68/23/557306823.db2.gz APCQXTIDZHXIQX-HXUWFJFHSA-N 0 0 427.526 3.502 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@@H]1c1ccco1 ZINC000102749275 557307107 /nfs/dbraw/zinc/30/71/07/557307107.db2.gz WFBKFQDOJWVENZ-LJQANCHMSA-N 0 0 427.482 3.717 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000014119603 557307875 /nfs/dbraw/zinc/30/78/75/557307875.db2.gz ZZHGUZKXQFQLSO-UHFFFAOYSA-N 0 0 428.370 3.778 50 0 IHAARN COc1ccc(CN(C)C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c(OC)c1OC ZINC000032520592 557313779 /nfs/dbraw/zinc/31/37/79/557313779.db2.gz GHHIVWJPKYFDAH-VMPITWQZSA-N 0 0 433.888 3.809 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000102267356 557316943 /nfs/dbraw/zinc/31/69/43/557316943.db2.gz JRZWSLDSTGZUOY-OKILXGFUSA-N 0 0 448.342 3.686 50 0 IHAARN CN(CCOc1ccc(Cl)cc1)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000032907202 557317453 /nfs/dbraw/zinc/31/74/53/557317453.db2.gz VYUBLCZGWXZDQK-UHFFFAOYSA-N 0 0 433.961 3.601 50 0 IHAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000033131344 557325207 /nfs/dbraw/zinc/32/52/07/557325207.db2.gz NFPNIQNODZFDGM-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN CCOC(=O)C1CCN(c2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)CC1 ZINC000033250511 557327311 /nfs/dbraw/zinc/32/73/11/557327311.db2.gz KCHDILKLTJNVBE-QGZVFWFLSA-N 0 0 445.585 3.577 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000014252740 557330217 /nfs/dbraw/zinc/33/02/17/557330217.db2.gz BRNANZZIYNKVSE-ZDUSSCGKSA-N 0 0 425.348 3.627 50 0 IHAARN CCc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)cc1 ZINC000033281928 557331787 /nfs/dbraw/zinc/33/17/87/557331787.db2.gz JNDNCYOFNBVBFM-UHFFFAOYSA-N 0 0 446.477 3.862 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCC3)c2=O)cc1C ZINC000033287059 557332019 /nfs/dbraw/zinc/33/20/19/557332019.db2.gz IVRSEHUSIOFALS-UHFFFAOYSA-N 0 0 446.551 3.643 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000000839587 557337258 /nfs/dbraw/zinc/33/72/58/557337258.db2.gz BRGDXNBJZPLKNS-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000222429930 557339711 /nfs/dbraw/zinc/33/97/11/557339711.db2.gz AVXDYVWYRCSCFP-IPELMVKDSA-N 0 0 441.325 3.957 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Br)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100165907 557340193 /nfs/dbraw/zinc/34/01/93/557340193.db2.gz GFGPRNILPLHTFB-BZSNNMDCSA-N 0 0 446.732 3.638 50 0 IHAARN CC[C@@H](COC)NC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CCC(C)C)c1 ZINC000023332198 557344430 /nfs/dbraw/zinc/34/44/30/557344430.db2.gz ICIUGAURXMWFKS-SFHVURJKSA-N 0 0 425.533 3.974 50 0 IHAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C(=O)OC)c1)n2CCOC ZINC000023332652 557345948 /nfs/dbraw/zinc/34/59/48/557345948.db2.gz DWOHPNREPCLVLW-UHFFFAOYSA-N 0 0 428.510 3.938 50 0 IHAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCOc4ccccc4)c3)n2)o1 ZINC000023450662 557356780 /nfs/dbraw/zinc/35/67/80/557356780.db2.gz AWJWFZVUFLALDS-UHFFFAOYSA-N 0 0 429.480 3.917 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220698073 557364294 /nfs/dbraw/zinc/36/42/94/557364294.db2.gz UITSJYRIHLXKDY-GJZGRUSLSA-N 0 0 432.496 3.570 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102728529 557370551 /nfs/dbraw/zinc/37/05/51/557370551.db2.gz JHOANXJVAKMHAI-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1OCC ZINC000072333873 557371746 /nfs/dbraw/zinc/37/17/46/557371746.db2.gz AFPQLPULWPZYBR-UHFFFAOYSA-N 0 0 436.302 3.720 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102752414 557383182 /nfs/dbraw/zinc/38/31/82/557383182.db2.gz OSVXOABBDNRLRR-WXFUMESZSA-N 0 0 444.487 3.838 50 0 IHAARN CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)s1 ZINC000072401798 557395126 /nfs/dbraw/zinc/39/51/26/557395126.db2.gz VZXMDPAPBBYZHL-HNAYVOBHSA-N 0 0 440.569 3.770 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)NCc1ccccc1 ZINC000013956289 557398302 /nfs/dbraw/zinc/39/83/02/557398302.db2.gz IBAAUFSFZWZOKZ-UHFFFAOYSA-N 0 0 437.569 3.505 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956657 557398502 /nfs/dbraw/zinc/39/85/02/557398502.db2.gz OGPZTFZKSLYISU-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)NC1CCCC1 ZINC000013956666 557398816 /nfs/dbraw/zinc/39/88/16/557398816.db2.gz CFFGJUIMNUHGOP-MRXNPFEDSA-N 0 0 429.590 3.635 50 0 IHAARN CC(C)CCN(C(=O)c1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000033463073 557400491 /nfs/dbraw/zinc/40/04/91/557400491.db2.gz BPLWYHWOUHVUKR-UHFFFAOYSA-N 0 0 440.931 3.513 50 0 IHAARN CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000004884744 557400907 /nfs/dbraw/zinc/40/09/07/557400907.db2.gz YEZNRJUODXYZHE-UHFFFAOYSA-N 0 0 427.570 3.941 50 0 IHAARN CCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)C[C@H](C)CC(C)(C)C ZINC000004920597 557408877 /nfs/dbraw/zinc/40/88/77/557408877.db2.gz MZDCEOBMOXPKAG-SFHVURJKSA-N 0 0 433.593 3.841 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1/C=C/c1ccccc1 ZINC000004936512 557411342 /nfs/dbraw/zinc/41/13/42/557411342.db2.gz XPPRYOYKKOSLAZ-YWGHDGQUSA-N 0 0 430.541 3.956 50 0 IHAARN C[C@H](NC(=O)CCNC(=O)c1c[nH]c2ccccc12)[C@@H](c1ccccc1Cl)n1cccn1 ZINC000408517531 557412403 /nfs/dbraw/zinc/41/24/03/557412403.db2.gz KXIHEWJPTQVNGN-HJPURHCSSA-N 0 0 449.942 3.932 50 0 IHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000102931177 557412802 /nfs/dbraw/zinc/41/28/02/557412802.db2.gz AAIYPRXAORXJLO-HNNXBMFYSA-N 0 0 439.393 3.652 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)COc3cccc(C)c3)C(C)C)n2)cc1OC ZINC000004943626 557412938 /nfs/dbraw/zinc/41/29/38/557412938.db2.gz ODADFTMZQQYGAY-UHFFFAOYSA-N 0 0 425.485 3.878 50 0 IHAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000103140257 557422473 /nfs/dbraw/zinc/42/24/73/557422473.db2.gz JMUHLGHJSMADLW-PKOBYXMFSA-N 0 0 443.297 3.921 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)c2cc(C)n(CCc3cccs3)c2C)cc1 ZINC000014313255 557434793 /nfs/dbraw/zinc/43/47/93/557434793.db2.gz QFMHSNRJUGGDOM-UHFFFAOYSA-N 0 0 446.594 3.921 50 0 IHAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000026068261 557435933 /nfs/dbraw/zinc/43/59/33/557435933.db2.gz BNNJOXXNMOSHTH-JXMROGBWSA-N 0 0 426.538 3.756 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103588247 557439759 /nfs/dbraw/zinc/43/97/59/557439759.db2.gz BAZJKDYIWBGCDB-DNVJHFABSA-N 0 0 443.478 3.702 50 0 IHAARN CCC(N[C@H](C)CCC[NH+](CC)CC)=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000103778984 557441447 /nfs/dbraw/zinc/44/14/47/557441447.db2.gz PKLVJTXVSWQUDG-DCDYOYONSA-N 0 0 442.604 3.959 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000096317500 557451575 /nfs/dbraw/zinc/45/15/75/557451575.db2.gz JIVZUAFQFKKGMT-UHFFFAOYSA-N 0 0 444.645 3.745 50 0 IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4Cl)ncn3n2)c1 ZINC000051317066 557466184 /nfs/dbraw/zinc/46/61/84/557466184.db2.gz LSLPNCYGHALQRG-UHFFFAOYSA-N 0 0 425.851 3.606 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c(OC)c1 ZINC000051317890 557469496 /nfs/dbraw/zinc/46/94/96/557469496.db2.gz DUWRJQUYMHWUTK-UHFFFAOYSA-N 0 0 445.317 3.594 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000105009122 557470441 /nfs/dbraw/zinc/47/04/41/557470441.db2.gz YJQQLLGOULXGMQ-XZOQPEGZSA-N 0 0 437.515 3.921 50 0 IHAARN O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000046896386 557513061 /nfs/dbraw/zinc/51/30/61/557513061.db2.gz UGGBCGVFQRHIKT-UONOGXRCSA-N 0 0 438.899 3.542 50 0 IHAARN CSc1nn(CC(=O)NCCCc2ccccc2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046915106 557514076 /nfs/dbraw/zinc/51/40/76/557514076.db2.gz KZNGDYIIPJYJDS-UHFFFAOYSA-N 0 0 448.552 3.653 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)cc3)nc3cccnc32)c1 ZINC000047146166 557517527 /nfs/dbraw/zinc/51/75/27/557517527.db2.gz NHMHTPRFWYYXPA-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCc1nc2cccnc2n1Cc1ccccc1 ZINC000047147370 557517791 /nfs/dbraw/zinc/51/77/91/557517791.db2.gz HPCJBMDVUVZQDX-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN Cc1csc(-n2nc(C(=O)N3CCN(c4ccccn4)CC3)cc2-c2ccccc2)n1 ZINC000025186211 557529281 /nfs/dbraw/zinc/52/92/81/557529281.db2.gz SJSVXDUFQYGJGI-UHFFFAOYSA-N 0 0 430.537 3.662 50 0 IHAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000106866080 557532656 /nfs/dbraw/zinc/53/26/56/557532656.db2.gz NFGYQCLKRPEOMK-OTPAQWSUSA-N 0 0 437.515 3.778 50 0 IHAARN CCOCCOC(=O)c1nc2ccccc2nc1N1CCN(c2cc(C)ccc2C)CC1 ZINC000045901286 557546669 /nfs/dbraw/zinc/54/66/69/557546669.db2.gz ZGYWGBZMHCSVFT-UHFFFAOYSA-N 0 0 434.540 3.767 50 0 IHAARN CCOCCOC(=O)c1nc2ccccc2nc1NCc1ccc(OCC)c(OC)c1 ZINC000045901295 557546775 /nfs/dbraw/zinc/54/67/75/557546775.db2.gz HDCHIOCLBHGHGQ-UHFFFAOYSA-N 0 0 425.485 3.843 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(C)c(F)c4)n3n2)cc1 ZINC000045939114 557548221 /nfs/dbraw/zinc/54/82/21/557548221.db2.gz CYTUSYRQIKWPLV-UHFFFAOYSA-N 0 0 437.500 3.825 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc1 ZINC000045941031 557549564 /nfs/dbraw/zinc/54/95/64/557549564.db2.gz BHMLTYSHIJMXCK-UHFFFAOYSA-N 0 0 443.550 3.872 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000045961946 557557018 /nfs/dbraw/zinc/55/70/18/557557018.db2.gz HTIXDPBODYPKSY-UHFFFAOYSA-N 0 0 425.466 3.811 50 0 IHAARN CSc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1 ZINC000045970057 557557572 /nfs/dbraw/zinc/55/75/72/557557572.db2.gz FJTVZHOHHFUSKN-UHFFFAOYSA-N 0 0 444.516 3.942 50 0 IHAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)Nc1ccc(F)cc1 ZINC000045970741 557558082 /nfs/dbraw/zinc/55/80/82/557558082.db2.gz OFNSAJGANWJORP-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000040155196 557705864 /nfs/dbraw/zinc/70/58/64/557705864.db2.gz IKSLAHYNURIYQA-UHFFFAOYSA-N 0 0 430.295 3.655 50 0 IHAARN Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000040155894 557706127 /nfs/dbraw/zinc/70/61/27/557706127.db2.gz ODVWWNGBFCIQMV-UHFFFAOYSA-N 0 0 444.340 3.546 50 0 IHAARN O=C(CSCCOc1ccc(Cl)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000040161362 557709655 /nfs/dbraw/zinc/70/96/55/557709655.db2.gz FFLXVVQNDLGJOG-SFHVURJKSA-N 0 0 439.986 3.672 50 0 IHAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000225414597 557720171 /nfs/dbraw/zinc/72/01/71/557720171.db2.gz KAZCOCJQGQOORQ-CRAIPNDOSA-N 0 0 436.478 3.877 50 0 IHAARN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000225444542 557723423 /nfs/dbraw/zinc/72/34/23/557723423.db2.gz NGCSJTNRFFGLEI-UONOGXRCSA-N 0 0 426.738 3.837 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 ZINC000225506753 557731690 /nfs/dbraw/zinc/73/16/90/557731690.db2.gz COZFRPDXLXVTCC-UHFFFAOYSA-N 0 0 442.924 3.796 50 0 IHAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccc3F)cc21 ZINC000040450424 557734009 /nfs/dbraw/zinc/73/40/09/557734009.db2.gz RCLABAUZRDBSHV-UHFFFAOYSA-N 0 0 439.306 3.688 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000225570678 557744188 /nfs/dbraw/zinc/74/41/88/557744188.db2.gz CATMUMGIKRAMAC-JOCHJYFZSA-N 0 0 431.540 3.992 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)nc(C(F)F)n4C)CC2)cc1F ZINC000225603015 557750056 /nfs/dbraw/zinc/75/00/56/557750056.db2.gz SYQYJSBWRPZEFG-UHFFFAOYSA-N 0 0 432.446 3.617 50 0 IHAARN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccn(-c2cccc(F)c2)n1 ZINC000225731927 557769973 /nfs/dbraw/zinc/76/99/73/557769973.db2.gz DZUAXAIVERZNOT-UHFFFAOYSA-N 0 0 442.248 3.754 50 0 IHAARN Cc1ccc2ccc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)[nH]c3c2n1 ZINC000096319760 557779266 /nfs/dbraw/zinc/77/92/66/557779266.db2.gz LJZGJWYUDBRKPC-UHFFFAOYSA-N 0 0 428.492 3.711 50 0 IHAARN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000225851290 557785289 /nfs/dbraw/zinc/78/52/89/557785289.db2.gz VGCISCINLGGUHC-UHFFFAOYSA-N 0 0 435.977 3.872 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1OC ZINC000226971359 557811564 /nfs/dbraw/zinc/81/15/64/557811564.db2.gz PXSJQVJGJHFENU-QZNHQXDQSA-N 0 0 430.460 3.755 50 0 IHAARN CC(=O)N[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000024984161 557828714 /nfs/dbraw/zinc/82/87/14/557828714.db2.gz XPIBCNBRWGFJER-SLLXAQSMSA-N 0 0 432.605 3.580 50 0 IHAARN CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC1CCCCC1 ZINC000000846183 557829378 /nfs/dbraw/zinc/82/93/78/557829378.db2.gz CJZLQDQFNIPCLB-OAQYLSRUSA-N 0 0 437.540 3.905 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000000858128 557831603 /nfs/dbraw/zinc/83/16/03/557831603.db2.gz DJXIDXJNZNOLFN-CYBMUJFWSA-N 0 0 426.279 3.596 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc(C)o4)[C@@H]3C2=O)cc1 ZINC000229985733 557834782 /nfs/dbraw/zinc/83/47/82/557834782.db2.gz OCZMTJMEJFNJHE-BHDDXSALSA-N 0 0 446.459 3.734 50 0 IHAARN O=C(COc1ccccc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Br)cc1 ZINC000000866253 557839682 /nfs/dbraw/zinc/83/96/82/557839682.db2.gz HXWZGRZMEMQWMU-KRWDZBQOSA-N 0 0 443.219 3.824 50 0 IHAARN CCN(C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000869193 557840397 /nfs/dbraw/zinc/84/03/97/557840397.db2.gz VCPQMPPAUXYLOS-HSZRJFAPSA-N 0 0 438.524 3.994 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000239174311 557843131 /nfs/dbraw/zinc/84/31/31/557843131.db2.gz PTBCTVVKUYENGB-YPAWHYETSA-N 0 0 449.551 3.593 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@H]2C1 ZINC000239235722 557843396 /nfs/dbraw/zinc/84/33/96/557843396.db2.gz WOJFIYOWTOKWHS-CTOYSFNJSA-N 0 0 446.503 3.571 50 0 IHAARN Cc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c2cnn(C)c2n1 ZINC000239352510 557844304 /nfs/dbraw/zinc/84/43/04/557844304.db2.gz ACLLZIVTANNPMD-UHFFFAOYSA-N 0 0 437.500 3.659 50 0 IHAARN COCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC000240871400 557845790 /nfs/dbraw/zinc/84/57/90/557845790.db2.gz IKHLQILFFDNLAI-KRWDZBQOSA-N 0 0 442.539 3.711 50 0 IHAARN CCN(Cc1ccc(OC)cc1)C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000241466025 557846575 /nfs/dbraw/zinc/84/65/75/557846575.db2.gz NUAJTFLMISYBNG-UHFFFAOYSA-N 0 0 444.578 3.813 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)cc1 ZINC000000878149 557848625 /nfs/dbraw/zinc/84/86/25/557848625.db2.gz MJOBBOLTYNCWKB-UHFFFAOYSA-N 0 0 439.541 3.561 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O ZINC000025048786 557856650 /nfs/dbraw/zinc/85/66/50/557856650.db2.gz VAGWYLASKNIOKD-GFCCVEGCSA-N 0 0 449.989 3.963 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000888291 557856828 /nfs/dbraw/zinc/85/68/28/557856828.db2.gz RDNLGWSGKMGHSY-UHFFFAOYSA-N 0 0 428.945 3.847 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(Br)ccc1OC ZINC000000702593 562919021 /nfs/dbraw/zinc/91/90/21/562919021.db2.gz TUQWALMYSSJGNY-INIZCTEOSA-N 0 0 439.331 3.671 50 0 IHAARN O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccccc1 ZINC000000899874 562919550 /nfs/dbraw/zinc/91/95/50/562919550.db2.gz LUYDAANLNWCVLU-IBGZPJMESA-N 0 0 441.532 3.939 50 0 IHAARN O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br ZINC000000915842 562919626 /nfs/dbraw/zinc/91/96/26/562919626.db2.gz CVUMMPGUOOREQN-XCHVBMRISA-N 0 0 441.325 3.635 50 0 IHAARN Cc1cc(Cl)c(S(=O)(=O)NC2CCCC2)cc1OCC(=O)NC1CCCCC1 ZINC000001115646 562920451 /nfs/dbraw/zinc/92/04/51/562920451.db2.gz CUVVFMKRBFEJHR-UHFFFAOYSA-N 0 0 428.982 3.697 50 0 IHAARN C[C@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388641 562921591 /nfs/dbraw/zinc/92/15/91/562921591.db2.gz VQWPRXZMQLMWTL-KRWDZBQOSA-N 0 0 435.851 3.663 50 0 IHAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NNc1cc(C)nc(-c2ccccc2)n1 ZINC000002399460 562927397 /nfs/dbraw/zinc/92/73/97/562927397.db2.gz RRKFOAKYUYBVIU-UHFFFAOYSA-N 0 0 444.499 3.660 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1 ZINC000002618801 562928496 /nfs/dbraw/zinc/92/84/96/562928496.db2.gz UUYSYWCUZMIJRL-UHFFFAOYSA-N 0 0 445.544 3.830 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000002927930 562930656 /nfs/dbraw/zinc/93/06/56/562930656.db2.gz QQKLKGNIZOVBHM-RXVVDRJESA-N 0 0 442.606 3.775 50 0 IHAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O ZINC000002964496 562931270 /nfs/dbraw/zinc/93/12/70/562931270.db2.gz UZSMJMFOOYDFBZ-GOSISDBHSA-N 0 0 431.521 3.633 50 0 IHAARN Cc1noc(C)c1COC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003318906 562934140 /nfs/dbraw/zinc/93/41/40/562934140.db2.gz OSFLXNIFMQQXCY-UHFFFAOYSA-N 0 0 444.509 3.547 50 0 IHAARN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cc2s1 ZINC000003330301 562934313 /nfs/dbraw/zinc/93/43/13/562934313.db2.gz OTLXSFRIGGQCOT-ZIAGYGMSSA-N 0 0 445.566 3.655 50 0 IHAARN COc1cccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 ZINC000003357371 562934764 /nfs/dbraw/zinc/93/47/64/562934764.db2.gz ZHJGJJBZUIKLDX-AREMUKBSSA-N 0 0 445.519 3.812 50 0 IHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000003423618 562935651 /nfs/dbraw/zinc/93/56/51/562935651.db2.gz DRUSEORYQCNLRJ-UHFFFAOYSA-N 0 0 433.921 3.741 50 0 IHAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1C ZINC000003643256 562937226 /nfs/dbraw/zinc/93/72/26/562937226.db2.gz WBICGZOLAKOTJL-KRWDZBQOSA-N 0 0 448.456 3.800 50 0 IHAARN CCOc1ccc(-n2cc(C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660468 562937612 /nfs/dbraw/zinc/93/76/12/562937612.db2.gz BYJDVGMWGMHFBB-UHFFFAOYSA-N 0 0 448.475 3.930 50 0 IHAARN COc1ccc(-c2noc(CCC(=O)NCc3cc(Br)ccc3OC)n2)cc1 ZINC000003957703 562940014 /nfs/dbraw/zinc/94/00/14/562940014.db2.gz YGHXAGFXJCZZBZ-UHFFFAOYSA-N 0 0 446.301 3.765 50 0 IHAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccco3)c2=O)c1 ZINC000004035337 562941153 /nfs/dbraw/zinc/94/11/53/562941153.db2.gz KFJARVCFHILFHV-UHFFFAOYSA-N 0 0 445.519 3.518 50 0 IHAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)N1CCC2(CC1)OCCO2 ZINC000004056492 562941275 /nfs/dbraw/zinc/94/12/75/562941275.db2.gz SHGBBWNSWFPNHD-UHFFFAOYSA-N 0 0 449.551 3.978 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S@](=O)C3)cc1 ZINC000006529460 562947042 /nfs/dbraw/zinc/94/70/42/562947042.db2.gz UUULANPVGMGFLJ-AREMUKBSSA-N 0 0 430.327 3.958 50 0 IHAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N(CC)CC ZINC000008583599 562949800 /nfs/dbraw/zinc/94/98/00/562949800.db2.gz AFXJCUFNEDDTMR-HNNXBMFYSA-N 0 0 432.981 3.929 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1OC ZINC000008587729 562950375 /nfs/dbraw/zinc/95/03/75/562950375.db2.gz IDWPQSRHXGZYBB-CQSZACIVSA-N 0 0 437.521 3.814 50 0 IHAARN CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2OC)s1 ZINC000008588146 562950586 /nfs/dbraw/zinc/95/05/86/562950586.db2.gz GZZIMJDXOQDTLA-UHFFFAOYSA-N 0 0 446.554 3.631 50 0 IHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)c(Cl)c1 ZINC000008588339 562950653 /nfs/dbraw/zinc/95/06/53/562950653.db2.gz KDBHVNHSKKODOO-UHFFFAOYSA-N 0 0 429.929 3.991 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000008589823 562951367 /nfs/dbraw/zinc/95/13/67/562951367.db2.gz KWDYVEJGXZTZRF-UHFFFAOYSA-N 0 0 430.570 3.766 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)O[C@@H](C)C3)cc1 ZINC000008590228 562951535 /nfs/dbraw/zinc/95/15/35/562951535.db2.gz ICENXWSXIJRVQI-LBPRGKRZSA-N 0 0 426.856 3.865 50 0 IHAARN C[C@@H](CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000008593807 562952841 /nfs/dbraw/zinc/95/28/41/562952841.db2.gz ANEASNUCFUZTOE-IBGZPJMESA-N 0 0 439.581 3.736 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)cc1 ZINC000008593638 562952847 /nfs/dbraw/zinc/95/28/47/562952847.db2.gz NPXGOHSGKFWVAF-UHFFFAOYSA-N 0 0 432.480 3.557 50 0 IHAARN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 ZINC000008594557 562953069 /nfs/dbraw/zinc/95/30/69/562953069.db2.gz UBNPOSJLWUBQME-UHFFFAOYSA-N 0 0 436.946 3.573 50 0 aggregator IHAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1 ZINC000008598937 562954517 /nfs/dbraw/zinc/95/45/17/562954517.db2.gz BHPOLVVYIPCTJL-CQSZACIVSA-N 0 0 445.566 3.978 50 0 IHAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000008601631 562955536 /nfs/dbraw/zinc/95/55/36/562955536.db2.gz DVPMQGLYARVYKW-AWEZNQCLSA-N 0 0 435.567 3.770 50 0 aggregator IHAARN O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000008605573 562956793 /nfs/dbraw/zinc/95/67/93/562956793.db2.gz GCMCXUDLXJUIQU-UHFFFAOYSA-N 0 0 433.917 3.974 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008606661 562957054 /nfs/dbraw/zinc/95/70/54/562957054.db2.gz MJEASRWGDWRNOW-HSZRJFAPSA-N 0 0 440.459 3.709 50 0 IHAARN O=C(Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1)c1ccccc1 ZINC000008606970 562957175 /nfs/dbraw/zinc/95/71/75/562957175.db2.gz QIDHKFPALJKYTK-UHFFFAOYSA-N 0 0 446.488 3.638 50 0 IHAARN Cc1cccc(-c2c3c(cn2-c2cc(N)c(Cl)cc2Cl)n(C)c(=O)n(C)c3=O)c1 ZINC000008612171 562959052 /nfs/dbraw/zinc/95/90/52/562959052.db2.gz BDNSQRPQLCGNMQ-UHFFFAOYSA-N 0 0 429.307 3.892 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000008613139 562959389 /nfs/dbraw/zinc/95/93/89/562959389.db2.gz HHHKSVMRDCECTF-SFHVURJKSA-N 0 0 446.569 3.832 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1OC ZINC000008619235 562959864 /nfs/dbraw/zinc/95/98/64/562959864.db2.gz BEISIKIYLQACBW-UHFFFAOYSA-N 0 0 448.444 3.918 50 0 IHAARN COC(=O)c1ccc(Sc2ccccc2NS(=O)(=O)c2ccc(OC)cc2)nc1 ZINC000008642437 562960132 /nfs/dbraw/zinc/96/01/32/562960132.db2.gz RVLPGBHPJCIPDF-UHFFFAOYSA-N 0 0 430.507 3.829 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000008654558 562960204 /nfs/dbraw/zinc/96/02/04/562960204.db2.gz IQXJOVMXUPNWRD-UHFFFAOYSA-N 0 0 445.459 3.955 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000008671009 562960797 /nfs/dbraw/zinc/96/07/97/562960797.db2.gz ZQOTYTYAXQOSLY-UHFFFAOYSA-N 0 0 433.570 3.659 50 0 IHAARN CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 ZINC000008769398 562964003 /nfs/dbraw/zinc/96/40/03/562964003.db2.gz NECKCAQRKTUACT-QFIPXVFZSA-N 0 0 433.512 3.669 50 0 biogenic IHAARN CCOC(=O)[C@@H](C(=O)NCc1cccc(OC)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000008773039 562964016 /nfs/dbraw/zinc/96/40/16/562964016.db2.gz CXDSUTPRHKIHHA-OAHLLOKOSA-N 0 0 430.810 3.726 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008828960 562964604 /nfs/dbraw/zinc/96/46/04/562964604.db2.gz JDQKULNQUANCLK-UHFFFAOYSA-N 0 0 425.913 3.762 50 0 IHAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(C)c4)n3)c2C)cc1OC ZINC000008831187 562964955 /nfs/dbraw/zinc/96/49/55/562964955.db2.gz USHYGWPWSMPUSB-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000008831412 562965027 /nfs/dbraw/zinc/96/50/27/562965027.db2.gz VTHLKZRZUDNBSV-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccco3)c(=O)c21 ZINC000008933123 562966148 /nfs/dbraw/zinc/96/61/48/562966148.db2.gz ZMUCJGKQFXUZNG-UHFFFAOYSA-N 0 0 426.476 3.617 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000009285892 562968923 /nfs/dbraw/zinc/96/89/23/562968923.db2.gz XUGRBXJNXBOSKJ-UHFFFAOYSA-N 0 0 440.500 3.706 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000009392156 562969933 /nfs/dbraw/zinc/96/99/33/562969933.db2.gz GMMPPZJUHXUVDT-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1cc(F)ccc1F ZINC000009410319 562970292 /nfs/dbraw/zinc/97/02/92/562970292.db2.gz GDUIHLWFWCBUOP-UHFFFAOYSA-N 0 0 448.476 3.856 50 0 IHAARN COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F ZINC000009442143 562971201 /nfs/dbraw/zinc/97/12/01/562971201.db2.gz HRIUCYQRGSGUND-VUQUXZKVSA-N 0 0 426.803 3.929 50 0 IHAARN Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1 ZINC000009462709 562971476 /nfs/dbraw/zinc/97/14/76/562971476.db2.gz GZDXBDVIRLVCJY-KQWNVCNZSA-N 0 0 441.535 3.661 50 0 IHAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1C(F)(F)F ZINC000009599822 562973873 /nfs/dbraw/zinc/97/38/73/562973873.db2.gz QPBIFQBCOGWBTB-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN COc1cccc(CNS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000009764384 562976701 /nfs/dbraw/zinc/97/67/01/562976701.db2.gz BOEOLNIDRUDGRU-UHFFFAOYSA-N 0 0 435.137 3.699 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009962090 562977981 /nfs/dbraw/zinc/97/79/81/562977981.db2.gz VMTFIMFDOWEXRX-MRXNPFEDSA-N 0 0 429.929 3.928 50 0 IHAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000010253775 562978613 /nfs/dbraw/zinc/97/86/13/562978613.db2.gz AMUPFTXJFAXOLC-UHFFFAOYSA-N 0 0 444.513 3.925 50 0 IHAARN Cc1nc(CC(=O)N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cs1 ZINC000012760067 562983179 /nfs/dbraw/zinc/98/31/79/562983179.db2.gz WWYZAROWDNATEP-MRXNPFEDSA-N 0 0 431.989 3.734 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccco4)nn32)cc1 ZINC000013131220 562985017 /nfs/dbraw/zinc/98/50/17/562985017.db2.gz SDTGWTIUBGTDTJ-HXUWFJFHSA-N 0 0 428.452 3.869 50 0 IHAARN O=C(CSC(=S)N1CCCC1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015411691 563017917 /nfs/dbraw/zinc/01/79/17/563017917.db2.gz CVALIIYDVQIWDB-UHFFFAOYSA-N 0 0 436.990 3.995 50 0 IHAARN CCOc1ccc(CCNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 ZINC000015941601 563019549 /nfs/dbraw/zinc/01/95/49/563019549.db2.gz FEGLFVRECWOKJL-UHFFFAOYSA-N 0 0 440.565 3.920 50 0 IHAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000016849697 563021009 /nfs/dbraw/zinc/02/10/09/563021009.db2.gz FJOYVXBUGYMBLT-UHFFFAOYSA-N 0 0 437.397 3.610 50 0 IHAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccnc2)CC1 ZINC000020289798 563024470 /nfs/dbraw/zinc/02/44/70/563024470.db2.gz XTVQGNKVYGHBRH-MBSDFSHPSA-N 0 0 436.581 3.834 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000036447018 563095333 /nfs/dbraw/zinc/09/53/33/563095333.db2.gz UVZCRNWKIBZWSQ-XMMPIXPASA-N 0 0 449.576 3.681 50 0 IHAARN COc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000037868536 563096005 /nfs/dbraw/zinc/09/60/05/563096005.db2.gz OOFPRTGQZBMAPC-UHFFFAOYSA-N 0 0 429.860 3.978 50 0 IHAARN Cc1ccc2[nH]c(CCNC(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)nc2c1 ZINC000085807867 568625419 /nfs/dbraw/zinc/62/54/19/568625419.db2.gz DHAJWCQRJCDSFA-UHFFFAOYSA-N 0 0 430.512 3.884 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c1 ZINC000000925327 568637826 /nfs/dbraw/zinc/63/78/26/568637826.db2.gz LFRDXWNSMUKYDY-UHFFFAOYSA-N 0 0 429.527 3.704 50 0 IHAARN Nc1nc(SCC(=O)Nc2cccc3nsnc32)nc2sc3c(c21)CCCC3 ZINC000019078259 568638014 /nfs/dbraw/zinc/63/80/14/568638014.db2.gz SRZQHHUHBSWYPY-UHFFFAOYSA-N 0 0 428.568 3.888 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)ccc1OC ZINC000086056940 568642154 /nfs/dbraw/zinc/64/21/54/568642154.db2.gz FMOLRNWTHVMGPZ-MRXNPFEDSA-N 0 0 437.521 3.944 50 0 IHAARN COc1ccc(CC(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccccc2OC)cc1 ZINC000086066463 568644399 /nfs/dbraw/zinc/64/43/99/568644399.db2.gz QIXAZYRWSPZJLJ-UHFFFAOYSA-N 0 0 431.496 3.534 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3OC)C2)c1 ZINC000086077274 568644614 /nfs/dbraw/zinc/64/46/14/568644614.db2.gz PUOXNPINRTXFCV-KRWDZBQOSA-N 0 0 434.496 3.670 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1OC ZINC000000977058 568648217 /nfs/dbraw/zinc/64/82/17/568648217.db2.gz QEHGDLDFSAHFIQ-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2 ZINC000000998096 568649356 /nfs/dbraw/zinc/64/93/56/568649356.db2.gz GUYXBPUFEAKJRM-QHCPKHFHSA-N 0 0 445.475 3.768 50 0 IHAARN CCn1cc(Br)c(C(=O)NC(=S)Nc2ccccc2Br)n1 ZINC000001002752 568650967 /nfs/dbraw/zinc/65/09/67/568650967.db2.gz KAQUHFLMCRZQGK-UHFFFAOYSA-N 0 0 432.141 3.555 50 0 IHAARN Cc1ccsc1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000001158935 568664071 /nfs/dbraw/zinc/66/40/71/568664071.db2.gz FCBUCTYPTWVZRX-GANRHZMWSA-N 0 0 444.603 3.618 50 0 IHAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000257359084 568731590 /nfs/dbraw/zinc/73/15/90/568731590.db2.gz YIMYGERTFGJMJP-NEJKQHAOSA-N 0 0 432.557 3.556 50 0 IHAARN COc1ccc([C@@H]2C[C@H](C(=O)NCc3cccc(C)c3)CN(C(=O)C3CC3)C2)cc1OC ZINC000034710029 568732530 /nfs/dbraw/zinc/73/25/30/568732530.db2.gz YFFOBKNPCRYCIW-YADHBBJMSA-N 0 0 436.552 3.671 50 0 IHAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 ZINC000031587280 568740590 /nfs/dbraw/zinc/74/05/90/568740590.db2.gz UBULFVJXHWKICQ-UHFFFAOYSA-N 0 0 430.457 3.582 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1OC ZINC000025618677 568741601 /nfs/dbraw/zinc/74/16/01/568741601.db2.gz GXPWQSHJFGHUAB-QGZVFWFLSA-N 0 0 441.553 3.846 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000001875135 568742025 /nfs/dbraw/zinc/74/20/25/568742025.db2.gz RUVNJSBEPRTHNI-UHFFFAOYSA-N 0 0 430.555 3.864 50 0 IHAARN CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000002090572 568742761 /nfs/dbraw/zinc/74/27/61/568742761.db2.gz BTZPKNRVBCPAIW-UHFFFAOYSA-N 0 0 441.281 3.946 50 0 biogenic IHAARN O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000043960657 568744477 /nfs/dbraw/zinc/74/44/77/568744477.db2.gz SHQFSIHVJVCFJD-VOTSOKGWSA-N 0 0 442.459 3.529 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COc1cc3oc(=O)cc(C)c3cc1Cl)CC2 ZINC000019132662 568745008 /nfs/dbraw/zinc/74/50/08/568745008.db2.gz SJSYXSRPJQENOU-UHFFFAOYSA-N 0 0 443.883 3.736 50 0 IHAARN CSc1ncccc1C(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000044001758 568745547 /nfs/dbraw/zinc/74/55/47/568745547.db2.gz IKBBPEYOCUCXAD-UHFFFAOYSA-N 0 0 432.977 3.809 50 0 IHAARN COc1cc(NC(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000044006087 568745619 /nfs/dbraw/zinc/74/56/19/568745619.db2.gz OZQZYKVWEKIGKI-UHFFFAOYSA-N 0 0 430.480 3.909 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C(=O)[C@H]2C)cc1 ZINC000003343904 568746814 /nfs/dbraw/zinc/74/68/14/568746814.db2.gz PVWMYNUGFUTHRH-CQSZACIVSA-N 0 0 430.302 3.862 50 0 IHAARN O=C(CSCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000044095887 568748113 /nfs/dbraw/zinc/74/81/13/568748113.db2.gz OOMRAORLNRJQFR-UHFFFAOYSA-N 0 0 435.553 3.591 50 0 IHAARN CC(C)Oc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1 ZINC000044166114 568748938 /nfs/dbraw/zinc/74/89/38/568748938.db2.gz HOFJKLIGGBAICB-UHFFFAOYSA-N 0 0 432.436 3.525 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1 ZINC000044166655 568749252 /nfs/dbraw/zinc/74/92/52/568749252.db2.gz KUAQJUPBKAWPHF-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN CCc1cc2c(nc(SCC(=O)Nc3cc(C)on3)n(Cc3ccco3)c2=O)s1 ZINC000003444658 568749628 /nfs/dbraw/zinc/74/96/28/568749628.db2.gz WHAYEKIRRHJHCG-UHFFFAOYSA-N 0 0 430.511 3.689 50 0 IHAARN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl ZINC000044225503 568749942 /nfs/dbraw/zinc/74/99/42/568749942.db2.gz JYRIJEYPSJPIQC-INIZCTEOSA-N 0 0 429.826 3.596 50 0 IHAARN CCCS(=O)(=O)c1c(C(=O)c2ccccc2)n2cccc(C)c2c1S(=O)(=O)CCC ZINC000001228508 568754623 /nfs/dbraw/zinc/75/46/23/568754623.db2.gz KLYKFJHPBWBPMX-UHFFFAOYSA-N 0 0 447.578 3.846 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)cc2)cs1 ZINC000012615512 568755064 /nfs/dbraw/zinc/75/50/64/568755064.db2.gz FUOYJEGZSJIWKZ-UHFFFAOYSA-N 0 0 429.567 3.735 50 0 IHAARN Cc1nc2ccccn2c1CN(C)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000299771578 568756645 /nfs/dbraw/zinc/75/66/45/568756645.db2.gz UHRBOCFTTLWXKH-DEOSSOPVSA-N 0 0 438.959 3.926 50 0 IHAARN O=C(NCCn1ccnc1)[C@@H]1CC12CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000299795786 568757857 /nfs/dbraw/zinc/75/78/57/568757857.db2.gz NFJFPBYWGDUISC-XZOQPEGZSA-N 0 0 434.584 3.602 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000263587305 568760639 /nfs/dbraw/zinc/76/06/39/568760639.db2.gz FIHDYCGUBQJXQI-IBGZPJMESA-N 0 0 435.528 3.613 50 0 IHAARN COC(=O)c1cn(C[C@@H](c2c[nH]c3ccccc32)c2ccccc2OC)cc2c(=O)[nH]nc1-2 ZINC000263587841 568760776 /nfs/dbraw/zinc/76/07/76/568760776.db2.gz LXCNZDSWQVQEAV-GOSISDBHSA-N 0 0 442.475 3.785 50 0 IHAARN Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000001235582 568762354 /nfs/dbraw/zinc/76/23/54/568762354.db2.gz BUJCHVLKNJBRLM-GOTSBHOMSA-N 0 0 449.528 3.664 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N2C(=O)CCSC2=N1 ZINC000001254286 568775190 /nfs/dbraw/zinc/77/51/90/568775190.db2.gz BTBDOVYOGOSQJT-OAQYLSRUSA-N 0 0 436.489 3.809 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263615290 568776031 /nfs/dbraw/zinc/77/60/31/568776031.db2.gz BPYVYKLASPJPOZ-UHFFFAOYSA-N 0 0 430.460 3.631 50 0 IHAARN COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)c5ccccc5)CC4)c3CO2)cc1 ZINC000263615838 568776121 /nfs/dbraw/zinc/77/61/21/568776121.db2.gz FKXHHRFWQGASGM-HSZRJFAPSA-N 0 0 445.519 3.898 50 0 IHAARN O=c1c2cc(-c3cccc(Br)c3)nn2ccn1C[C@@H](O)c1ccc(F)cc1 ZINC000263616424 568776732 /nfs/dbraw/zinc/77/67/32/568776732.db2.gz IOVHWRGPYBFCPI-LJQANCHMSA-N 0 0 428.261 3.798 50 0 IHAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 ZINC000263619128 568777903 /nfs/dbraw/zinc/77/79/03/568777903.db2.gz XBDABZIWPBWXRF-NRFANRHFSA-N 0 0 432.436 3.999 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000001321045 568780042 /nfs/dbraw/zinc/78/00/42/568780042.db2.gz KQDVTKGVWJCKNK-ZDUSSCGKSA-N 0 0 426.542 3.651 50 0 IHAARN C[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000032109471 568781434 /nfs/dbraw/zinc/78/14/34/568781434.db2.gz NRHLKCXDZWXUOZ-FXAWDEMLSA-N 0 0 440.540 3.941 50 0 biogenic IHAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000019171515 568782336 /nfs/dbraw/zinc/78/23/36/568782336.db2.gz UBMGMTYCNHYNOG-UHFFFAOYSA-N 0 0 432.542 3.763 50 0 IHAARN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000019172790 568782841 /nfs/dbraw/zinc/78/28/41/568782841.db2.gz ORAGLOOZRWYGIC-JCYRPKCISA-N 0 0 427.479 3.888 50 0 IHAARN CN(CC1CCCC1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000083859110 568783616 /nfs/dbraw/zinc/78/36/16/568783616.db2.gz XYWOHFANZMAXGO-UHFFFAOYSA-N 0 0 432.508 3.755 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000015474614 568784875 /nfs/dbraw/zinc/78/48/75/568784875.db2.gz GAENIZUYUYZXMA-LJQANCHMSA-N 0 0 440.569 3.729 50 0 IHAARN O=C1NC2(CCC3(CC2)NC(=O)N(c2ccc(Cl)cc2)N3)NN1c1ccc(Cl)cc1 ZINC000001391991 568785300 /nfs/dbraw/zinc/78/53/00/568785300.db2.gz HMUPNJCLDOVAON-UHFFFAOYSA-N 0 0 447.326 3.729 50 0 IHAARN COc1cc(CNc2ccc(OCC(F)(F)F)nc2)ccc1OCC(=O)N1CCCC1 ZINC000083923622 568785758 /nfs/dbraw/zinc/78/57/58/568785758.db2.gz BSMWIQBHWBOLBY-UHFFFAOYSA-N 0 0 439.434 3.645 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c2cccnc12 ZINC000083937457 568786143 /nfs/dbraw/zinc/78/61/43/568786143.db2.gz GXOXWPDVRSGKJN-CQSZACIVSA-N 0 0 440.297 3.998 50 0 IHAARN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1c2ccccc2c2c1nc(C)cc2C ZINC000001404455 568786737 /nfs/dbraw/zinc/78/67/37/568786737.db2.gz XCQVVWGLWOCKBZ-XMMPIXPASA-N 0 0 440.547 3.896 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccccc1OC ZINC000004781539 568792034 /nfs/dbraw/zinc/79/20/34/568792034.db2.gz KUJHEMGTCFQFDX-AZUAARDMSA-N 0 0 428.529 3.737 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(OCC)c(OC)c4)c(=O)n3n2)cc1 ZINC000016730730 568792277 /nfs/dbraw/zinc/79/22/77/568792277.db2.gz FVVYEGLQNJIAPX-XSFVSMFZSA-N 0 0 437.521 3.562 50 0 IHAARN O=C(COc1ccc(I)cc1)NCc1ccc(-n2cccc2)cc1 ZINC000001426628 568793968 /nfs/dbraw/zinc/79/39/68/568793968.db2.gz WOYSFNVOVTZCJG-UHFFFAOYSA-N 0 0 432.261 3.777 50 0 IHAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1c2ccccc2C[C@@H]1C(=O)OC(C)(C)C ZINC000084752652 568801116 /nfs/dbraw/zinc/80/11/16/568801116.db2.gz WPUYRKJZHUKYEA-XZOQPEGZSA-N 0 0 434.536 3.822 50 0 IHAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1 ZINC000015670313 568802272 /nfs/dbraw/zinc/80/22/72/568802272.db2.gz RHZNOFWPDQFRDR-LJQANCHMSA-N 0 0 426.480 3.906 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015670331 568802404 /nfs/dbraw/zinc/80/24/04/568802404.db2.gz WZTWTBVRMXGRSU-GOSISDBHSA-N 0 0 442.479 3.524 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000015670635 568802615 /nfs/dbraw/zinc/80/26/15/568802615.db2.gz AWGFAFLYWSUZAB-QGZVFWFLSA-N 0 0 436.397 3.924 50 0 IHAARN CC1=C(C(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)SCCO1 ZINC000015678160 568804764 /nfs/dbraw/zinc/80/47/64/568804764.db2.gz XVIOGPWCDOMVQY-UHFFFAOYSA-N 0 0 441.528 3.722 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000015678042 568805004 /nfs/dbraw/zinc/80/50/04/568805004.db2.gz BCWABGZJELFVGU-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681344 568806540 /nfs/dbraw/zinc/80/65/40/568806540.db2.gz VLYICTXDWVVUDC-UHFFFAOYSA-N 0 0 430.508 3.961 50 0 IHAARN CCOc1ccccc1-c1cc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)O2)n[nH]1 ZINC000015729014 568813293 /nfs/dbraw/zinc/81/32/93/568813293.db2.gz WGSJSOLRFGBNCF-QHCPKHFHSA-N 0 0 436.468 3.732 50 0 IHAARN Cc1nn(-c2ccccc2Cl)cc1-c1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000015729717 568813607 /nfs/dbraw/zinc/81/36/07/568813607.db2.gz MKWBVIHASLPPMH-UHFFFAOYSA-N 0 0 437.843 3.543 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000001446175 568816644 /nfs/dbraw/zinc/81/66/44/568816644.db2.gz KVARLRRATHWSJA-CQSZACIVSA-N 0 0 430.302 3.653 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCC(=O)Nc4ccc(F)c(Cl)c4)nnc3c2=O)c1 ZINC000015736306 568817060 /nfs/dbraw/zinc/81/70/60/568817060.db2.gz FKYNUZJNTOFWMC-UHFFFAOYSA-N 0 0 439.878 3.861 50 0 IHAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000085413726 568818726 /nfs/dbraw/zinc/81/87/26/568818726.db2.gz ZXSALKBICOOSPM-IRLDBZIGSA-N 0 0 440.423 3.741 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCC1CCCCC1 ZINC000006066932 568820354 /nfs/dbraw/zinc/82/03/54/568820354.db2.gz UMQFHVQSFLZEAG-AEFFLSMTSA-N 0 0 429.586 3.753 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)ccc1OC ZINC000015770452 568822579 /nfs/dbraw/zinc/82/25/79/568822579.db2.gz BETBVPWDJKCGGC-INIZCTEOSA-N 0 0 426.542 3.631 50 0 IHAARN CCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)C(CC)CC)c3)cc2=O)s1 ZINC000015772429 568822837 /nfs/dbraw/zinc/82/28/37/568822837.db2.gz HDRGJXRDWXHRNT-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CCOc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781180 568825786 /nfs/dbraw/zinc/82/57/86/568825786.db2.gz WKEMKHIQUPASGX-OAQYLSRUSA-N 0 0 429.494 3.632 50 0 IHAARN Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)ccc1F ZINC000015784009 568826734 /nfs/dbraw/zinc/82/67/34/568826734.db2.gz RQFSFVZNZOJIGK-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)c1 ZINC000085601862 568827238 /nfs/dbraw/zinc/82/72/38/568827238.db2.gz YIEXNQNLEXBUMX-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN COc1ccc(/C=C/c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1OC ZINC000085641917 568829062 /nfs/dbraw/zinc/82/90/62/568829062.db2.gz JUHQQOQEFHZSMY-WUXMJOGZSA-N 0 0 441.509 3.709 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000085642879 568829278 /nfs/dbraw/zinc/82/92/78/568829278.db2.gz XBTQAQWFMZWGMO-UHFFFAOYSA-N 0 0 444.988 3.962 50 0 IHAARN Cc1cccc(-c2nccc(Nc3ccc(C(=O)NCCCN4CCOCC4)cc3)n2)c1 ZINC000085649375 568830720 /nfs/dbraw/zinc/83/07/20/568830720.db2.gz YGBXDLSDBCLJBH-UHFFFAOYSA-N 0 0 431.540 3.648 50 0 IHAARN CCOc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085653893 568832599 /nfs/dbraw/zinc/83/25/99/568832599.db2.gz UUWZTBDNGHMGJQ-UHFFFAOYSA-N 0 0 446.551 3.601 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000085712488 568835629 /nfs/dbraw/zinc/83/56/29/568835629.db2.gz GEDLCLZRTGYQLM-UHFFFAOYSA-N 0 0 446.525 3.801 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)Nc1ccc(F)cc1F)c2=O ZINC000015787023 568836393 /nfs/dbraw/zinc/83/63/93/568836393.db2.gz NWRDVAUQQLMMGI-UHFFFAOYSA-N 0 0 443.841 3.769 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000015821848 568839793 /nfs/dbraw/zinc/83/97/93/568839793.db2.gz QYZRKNPGXUZUKC-UHFFFAOYSA-N 0 0 449.486 3.998 50 0 IHAARN COc1cnc(CSc2ccccc2)cc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000015824548 568840352 /nfs/dbraw/zinc/84/03/52/568840352.db2.gz NKXFBAJAXRWDEN-UHFFFAOYSA-N 0 0 438.505 3.806 50 0 IHAARN CCOc1ccccc1NC(=O)COc1cc(CSc2ncccn2)ncc1OC ZINC000015824332 568840363 /nfs/dbraw/zinc/84/03/63/568840363.db2.gz XLNOOWYIAJLMLZ-UHFFFAOYSA-N 0 0 426.498 3.589 50 0 IHAARN Cc1cccc(C)c1N1C(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O ZINC000015827396 568840937 /nfs/dbraw/zinc/84/09/37/568840937.db2.gz FIWKPNBGZJRBBB-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN CCn1c(SCC(=O)N[C@H]2COc3ccc(OC)cc32)nnc1[C@H](C)c1ccccc1 ZINC000045068224 568843133 /nfs/dbraw/zinc/84/31/33/568843133.db2.gz HGPVBPJQZNUMAN-BEFAXECRSA-N 0 0 438.553 3.800 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccccc1C ZINC000006131918 568844990 /nfs/dbraw/zinc/84/49/90/568844990.db2.gz ZJWGOWYXXUFARX-UHFFFAOYSA-N 0 0 432.571 3.523 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000015858290 568846390 /nfs/dbraw/zinc/84/63/90/568846390.db2.gz VXGASFGBVLYFKE-UHFFFAOYSA-N 0 0 447.944 3.649 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000015861497 568848145 /nfs/dbraw/zinc/84/81/45/568848145.db2.gz NAAINJLVVQJIHG-UHFFFAOYSA-N 0 0 449.576 3.625 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000015865508 568850682 /nfs/dbraw/zinc/85/06/82/568850682.db2.gz VZODCOHRBVPBEG-UHFFFAOYSA-N 0 0 435.505 3.691 50 0 IHAARN O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccc2c(c1)OCCO2 ZINC000015882721 568857275 /nfs/dbraw/zinc/85/72/75/568857275.db2.gz CHXDMIVOVVMDTL-UHFFFAOYSA-N 0 0 443.510 3.684 50 0 IHAARN COC(=O)[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000012892334 568858310 /nfs/dbraw/zinc/85/83/10/568858310.db2.gz AAPPTVQRFKMVTR-CYBMUJFWSA-N 0 0 442.899 3.520 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2C1=O ZINC000016004576 568862258 /nfs/dbraw/zinc/86/22/58/568862258.db2.gz PCOGJEMGTUMIKA-UHFFFAOYSA-N 0 0 429.885 3.835 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016021403 568863786 /nfs/dbraw/zinc/86/37/86/568863786.db2.gz BTKDCNNIDHWUJI-UHFFFAOYSA-N 0 0 448.850 3.632 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1Br ZINC000012938551 568867810 /nfs/dbraw/zinc/86/78/10/568867810.db2.gz QKQKBZSERXXBQW-VXGBXAGGSA-N 0 0 440.363 3.776 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000575443045 568868325 /nfs/dbraw/zinc/86/83/25/568868325.db2.gz DXPJWQOFYKYSDC-JOCHJYFZSA-N 0 0 432.524 3.917 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NCC1CCCCC1 ZINC000016044331 568868642 /nfs/dbraw/zinc/86/86/42/568868642.db2.gz DCSIWMPMCOYART-QGZVFWFLSA-N 0 0 448.519 3.725 50 0 IHAARN COC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000016047986 568869431 /nfs/dbraw/zinc/86/94/31/568869431.db2.gz OQEDMTGKQNSHBD-UHFFFAOYSA-N 0 0 439.530 3.745 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000012941317 568869936 /nfs/dbraw/zinc/86/99/36/568869936.db2.gz KKWUNMNXOXAYGM-UHFFFAOYSA-N 0 0 446.479 3.953 50 0 IHAARN CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000001595481 568876315 /nfs/dbraw/zinc/87/63/15/568876315.db2.gz YEVDIGQCJDBRNM-SFHVURJKSA-N 0 0 426.513 3.685 50 0 biogenic IHAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2Br)c2cccs2)n1 ZINC000575610044 568878879 /nfs/dbraw/zinc/87/88/79/568878879.db2.gz JLHWRCJXFXMFPE-HNNXBMFYSA-N 0 0 440.388 3.892 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c(Cl)cc1Cl ZINC000575613587 568879774 /nfs/dbraw/zinc/87/97/74/568879774.db2.gz UIDDATWZJFAKHA-FQEVSTJZSA-N 0 0 444.380 3.895 50 0 IHAARN CCCCCn1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O ZINC000006213274 568880268 /nfs/dbraw/zinc/88/02/68/568880268.db2.gz QALDJSVXYDLXRO-UHFFFAOYSA-N 0 0 425.485 3.865 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@@H](C)O1 ZINC000229694432 568886735 /nfs/dbraw/zinc/88/67/35/568886735.db2.gz WZSUWSHNYUHMRI-QINHECLXSA-N 0 0 449.598 3.915 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccc(C)c1C ZINC000089267820 568887572 /nfs/dbraw/zinc/88/75/72/568887572.db2.gz FUHRETGHVAJJNP-UHFFFAOYSA-N 0 0 446.569 3.894 50 0 IHAARN O=C(/C=C/c1cccs1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 ZINC000090558875 568887820 /nfs/dbraw/zinc/88/78/20/568887820.db2.gz OZWMHVIHKURXRD-GQCTYLIASA-N 0 0 435.431 3.574 50 0 IHAARN S=C(NNC(=S)Nc1cccc(Cl)c1)NNC(=S)Nc1cccc(Cl)c1 ZINC000016399030 568887896 /nfs/dbraw/zinc/88/78/96/568887896.db2.gz YCAYNHBETFXHDE-UHFFFAOYSA-N 0 0 445.426 3.561 50 0 IHAARN CC(C)Cn1c(S[C@H](C)C(=O)NC(C)C)nc2ccc(Br)cc2c1=O ZINC000012974735 568890153 /nfs/dbraw/zinc/89/01/53/568890153.db2.gz YEUDEKUXUZRUHB-GFCCVEGCSA-N 0 0 426.380 3.820 50 0 IHAARN COc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1OC ZINC000015478236 568893350 /nfs/dbraw/zinc/89/33/50/568893350.db2.gz OMLGXESBGBWHOV-PKNBQFBNSA-N 0 0 433.302 3.577 50 0 IHAARN COc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2c1 ZINC000035562197 568893472 /nfs/dbraw/zinc/89/34/72/568893472.db2.gz ZCYQVOUWUPVUNA-UHFFFAOYSA-N 0 0 442.313 3.537 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029284672 568895718 /nfs/dbraw/zinc/89/57/18/568895718.db2.gz OHNYIILARIUZJI-XBXARRHUSA-N 0 0 434.414 3.672 50 0 IHAARN COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1OC(F)F ZINC000032820907 568895991 /nfs/dbraw/zinc/89/59/91/568895991.db2.gz WTEPQGSIRRHEFJ-MDZDMXLPSA-N 0 0 446.450 3.893 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012996327 568896856 /nfs/dbraw/zinc/89/68/56/568896856.db2.gz XEHVPXSKWPUMHJ-ABAIWWIYSA-N 0 0 426.888 3.674 50 0 IHAARN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012997781 568896948 /nfs/dbraw/zinc/89/69/48/568896948.db2.gz MLJVMJVMELCFTR-INIZCTEOSA-N 0 0 442.943 3.711 50 0 IHAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013002113 568898297 /nfs/dbraw/zinc/89/82/97/568898297.db2.gz MZIFORGIVYCMKA-LBPRGKRZSA-N 0 0 426.523 3.845 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4occc4-c4ccccc4)CC3)n2)cc1 ZINC000013003173 568898587 /nfs/dbraw/zinc/89/85/87/568898587.db2.gz NOESGXBVCWWANV-UHFFFAOYSA-N 0 0 444.491 3.963 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c1C ZINC000013005327 568899172 /nfs/dbraw/zinc/89/91/72/568899172.db2.gz KIIOCOCKYFKCHC-AWEZNQCLSA-N 0 0 443.388 3.919 50 0 IHAARN COc1ccc2oc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@@H]3CCCO3)c(C)c2c1 ZINC000013010944 568900111 /nfs/dbraw/zinc/90/01/11/568900111.db2.gz UJEZPVCXWXLPOQ-KRWDZBQOSA-N 0 0 447.491 3.808 50 0 IHAARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br ZINC000013012078 568901000 /nfs/dbraw/zinc/90/10/00/568901000.db2.gz DZKUVAGQQYRZIB-CYBMUJFWSA-N 0 0 445.317 3.880 50 0 IHAARN COc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br ZINC000013012077 568901079 /nfs/dbraw/zinc/90/10/79/568901079.db2.gz DZKUVAGQQYRZIB-ZDUSSCGKSA-N 0 0 445.317 3.880 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000013013034 568901474 /nfs/dbraw/zinc/90/14/74/568901474.db2.gz OKQKYZWYQINHBO-UHFFFAOYSA-N 0 0 446.422 3.679 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)c1 ZINC000241694020 568912372 /nfs/dbraw/zinc/91/23/72/568912372.db2.gz QJSHHDQTASZPBQ-YUXAGFNASA-N 0 0 446.613 3.765 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000241701772 568912419 /nfs/dbraw/zinc/91/24/19/568912419.db2.gz QKZNKWQSIGMSFR-MUPNANLLSA-N 0 0 443.613 3.997 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000242273656 568912558 /nfs/dbraw/zinc/91/25/58/568912558.db2.gz YESPYEMTMVMGDU-GRXQJBFDSA-N 0 0 432.536 3.551 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000244947572 568912896 /nfs/dbraw/zinc/91/28/96/568912896.db2.gz DMTOWFDANFMRDL-DNVJHFABSA-N 0 0 442.471 3.914 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000245309433 568914257 /nfs/dbraw/zinc/91/42/57/568914257.db2.gz CTLOGBVHJCVBFC-FQJHJXCSSA-N 0 0 449.510 3.952 50 0 IHAARN CN1CC[C@@]2(N3CCOCC3)[C@H](C1)N=NN2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000248087804 568918919 /nfs/dbraw/zinc/91/89/19/568918919.db2.gz SWFOFFUNLSUYTM-HOTGVXAUSA-N 0 0 437.388 3.644 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000248381694 568919290 /nfs/dbraw/zinc/91/92/90/568919290.db2.gz UTHLGSOXEIDBAC-IYWMVGAKSA-N 0 0 426.394 3.684 50 0 IHAARN CNc1snc(C)c1C(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000016552787 568921481 /nfs/dbraw/zinc/92/14/81/568921481.db2.gz HGSHOPFYALRZKK-UHFFFAOYSA-N 0 0 432.527 4.000 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000089368475 568921512 /nfs/dbraw/zinc/92/15/12/568921512.db2.gz SPQAORFYGWLGIL-UHFFFAOYSA-N 0 0 432.524 3.547 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000016557557 568922071 /nfs/dbraw/zinc/92/20/71/568922071.db2.gz FGBNSLNEUCJDRK-UHFFFAOYSA-N 0 0 430.961 3.896 50 0 IHAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4F)c(=O)c23)cc1OC ZINC000001945238 568923710 /nfs/dbraw/zinc/92/37/10/568923710.db2.gz PKZDACMTPLFLDQ-UHFFFAOYSA-N 0 0 439.468 3.920 50 0 IHAARN Cc1ccc(C(=O)NC(C)(C)C)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001953918 568923808 /nfs/dbraw/zinc/92/38/08/568923808.db2.gz CSJAQJHPANNVGD-UHFFFAOYSA-N 0 0 425.916 3.955 50 0 IHAARN CC(C)CN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)/C=C/c1ccccc1 ZINC000016613257 568925730 /nfs/dbraw/zinc/92/57/30/568925730.db2.gz TZZLGHVKYYFRDF-MDWZMJQESA-N 0 0 439.943 3.671 50 0 IHAARN CN(C)c1nc(=NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(NCc2ccccc2)[nH]1 ZINC000252629198 568926417 /nfs/dbraw/zinc/92/64/17/568926417.db2.gz UAXSEFILZLZRBV-UHFFFAOYSA-N 0 0 426.868 3.557 50 0 IHAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NC(C)C)c(=O)c12 ZINC000064439282 568928231 /nfs/dbraw/zinc/92/82/31/568928231.db2.gz GPIZGPXPMHBFSO-UHFFFAOYSA-N 0 0 443.916 3.661 50 0 IHAARN CC[C@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O ZINC000064439170 568928356 /nfs/dbraw/zinc/92/83/56/568928356.db2.gz DTKWZCFGKBZREY-ZDUSSCGKSA-N 0 0 437.525 3.707 50 0 IHAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000016651582 568929496 /nfs/dbraw/zinc/92/94/96/568929496.db2.gz LPCSSMKPEFSDFA-UHFFFAOYSA-N 0 0 449.551 3.975 50 0 IHAARN O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCCCc1ccccc1 ZINC000064474171 568930180 /nfs/dbraw/zinc/93/01/80/568930180.db2.gz BSAUISHEBHYDRX-UHFFFAOYSA-N 0 0 442.567 3.949 50 0 IHAARN Cc1cccc(OCC(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)c1 ZINC000064566117 568932848 /nfs/dbraw/zinc/93/28/48/568932848.db2.gz KLKQQGWIPRIRRZ-UHFFFAOYSA-N 0 0 447.470 3.548 50 0 IHAARN Cc1cccc(OCC(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)c1 ZINC000064566154 568933022 /nfs/dbraw/zinc/93/30/22/568933022.db2.gz SHTBNXCUXOADQZ-UHFFFAOYSA-N 0 0 447.470 3.548 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5cccc(F)c5)no4)nn3C)C2)cc1F ZINC000064566144 568933046 /nfs/dbraw/zinc/93/30/46/568933046.db2.gz XGIUYSJYHZLLNC-UHFFFAOYSA-N 0 0 435.434 3.922 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c1 ZINC000064566215 568933145 /nfs/dbraw/zinc/93/31/45/568933145.db2.gz KWZINDCGOMLHHJ-UHFFFAOYSA-N 0 0 427.508 3.876 50 0 IHAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)c1 ZINC000064579604 568934201 /nfs/dbraw/zinc/93/42/01/568934201.db2.gz AFSIHHPRFRKKQI-UHFFFAOYSA-N 0 0 428.448 3.828 50 0 IHAARN COc1cccc(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c1 ZINC000064593861 568936225 /nfs/dbraw/zinc/93/62/25/568936225.db2.gz HWGKBPSMUJBRKK-UHFFFAOYSA-N 0 0 443.326 3.944 50 0 IHAARN COc1cccc(-c2nc(C)c(C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)[nH]2)c1 ZINC000089547888 568937254 /nfs/dbraw/zinc/93/72/54/568937254.db2.gz IIHMVGOJVRVRCL-UHFFFAOYSA-N 0 0 439.560 3.630 50 0 IHAARN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2nc3n(c2n1)CCCCC3 ZINC000089582786 568938249 /nfs/dbraw/zinc/93/82/49/568938249.db2.gz FXPDAMDGPZYQGH-GOSISDBHSA-N 0 0 437.931 3.655 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(Cl)cc3)cc(NC(C)=O)c2=O)cc1 ZINC000064605049 568939086 /nfs/dbraw/zinc/93/90/86/568939086.db2.gz DHIUONSVEYBLKP-CYBMUJFWSA-N 0 0 440.887 3.730 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)cc1 ZINC000064605378 568939703 /nfs/dbraw/zinc/93/97/03/568939703.db2.gz DQFCNXBYQSAJJK-GOSISDBHSA-N 0 0 444.535 3.964 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(Br)cc2)cc1 ZINC000002064761 568941274 /nfs/dbraw/zinc/94/12/74/568941274.db2.gz ANFVUQCZCAHCPC-UHFFFAOYSA-N 0 0 439.375 3.868 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O ZINC000006631544 568942042 /nfs/dbraw/zinc/94/20/42/568942042.db2.gz ZSQMVQSVKXPSBO-AWEZNQCLSA-N 0 0 443.525 3.930 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(C)ccc4n3)CC2)cc1 ZINC000006657898 568944330 /nfs/dbraw/zinc/94/43/30/568944330.db2.gz KXEVSGQPBGWATR-LJQANCHMSA-N 0 0 426.586 3.663 50 0 IHAARN COCCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(C)cc3)c2NC(C)(C)C)s1 ZINC000064704096 568944545 /nfs/dbraw/zinc/94/45/45/568944545.db2.gz YFABUYSVKLVQFY-UHFFFAOYSA-N 0 0 444.605 3.566 50 0 IHAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)NCc1ccccc1 ZINC000064746956 568950307 /nfs/dbraw/zinc/95/03/07/568950307.db2.gz SUQGAYDMAVTBFD-UHFFFAOYSA-N 0 0 426.501 3.990 50 0 IHAARN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000064758906 568951819 /nfs/dbraw/zinc/95/18/19/568951819.db2.gz GWTQZZCWYQQXNB-UHFFFAOYSA-N 0 0 429.480 3.552 50 0 IHAARN COc1ccc(-c2nc3cnccn3c2NCCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000064759058 568951906 /nfs/dbraw/zinc/95/19/06/568951906.db2.gz QHKXGEXLBNQNRR-UHFFFAOYSA-N 0 0 431.452 3.574 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)cc(OC)c4)c(=O)[nH]c3C2)cc1 ZINC000064775538 568954694 /nfs/dbraw/zinc/95/46/94/568954694.db2.gz ZKYSVJUEPXKAJC-HNNXBMFYSA-N 0 0 448.475 3.566 50 0 IHAARN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775968 568954929 /nfs/dbraw/zinc/95/49/29/568954929.db2.gz MSZIUGAXMMGJGB-SFHVURJKSA-N 0 0 428.536 3.931 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)=O ZINC000036117252 568955564 /nfs/dbraw/zinc/95/55/64/568955564.db2.gz PEGUGANQHMPOCH-KKSFZXQISA-N 0 0 430.570 3.909 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CC1)C(C)C ZINC000036117691 568955952 /nfs/dbraw/zinc/95/59/52/568955952.db2.gz LBTBMGHFEAVEAY-LJQANCHMSA-N 0 0 442.581 3.909 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)COC ZINC000036118825 568956095 /nfs/dbraw/zinc/95/60/95/568956095.db2.gz BZDCMPBKEPFNLI-HXUWFJFHSA-N 0 0 444.597 3.755 50 0 IHAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(OC)c(OC)c4)c(=O)n23)c1 ZINC000064787949 568956445 /nfs/dbraw/zinc/95/64/45/568956445.db2.gz BZBLNDABUNWVGS-UHFFFAOYSA-N 0 0 437.477 3.701 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(F)c4)c(=O)n23)c1 ZINC000064788054 568956467 /nfs/dbraw/zinc/95/64/67/568956467.db2.gz KTVFRSANETVSSJ-UHFFFAOYSA-N 0 0 425.441 3.832 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C1CC1 ZINC000036122678 568958180 /nfs/dbraw/zinc/95/81/80/568958180.db2.gz WSWBQICYBGGJIH-FQEVSTJZSA-N 0 0 427.570 3.835 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121493 568958335 /nfs/dbraw/zinc/95/83/35/568958335.db2.gz SONDKONUPIJEPH-FQEVSTJZSA-N 0 0 448.560 3.667 50 0 IHAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cc(F)ccc2F)c1C ZINC000064792332 568959208 /nfs/dbraw/zinc/95/92/08/568959208.db2.gz ZBBSBWDHRBEBJY-UHFFFAOYSA-N 0 0 437.450 3.736 50 0 IHAARN Cc1ccc(CNC(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)cc1 ZINC000064792560 568959390 /nfs/dbraw/zinc/95/93/90/568959390.db2.gz MBWMUWKXONTVKK-XMMPIXPASA-N 0 0 436.519 3.748 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NCc2ccco2)cc1 ZINC000064793441 568959808 /nfs/dbraw/zinc/95/98/08/568959808.db2.gz MRBRTSOWUKUQMG-HSZRJFAPSA-N 0 0 440.507 3.650 50 0 IHAARN Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(N2CCOCC2)n1 ZINC000064801081 568960718 /nfs/dbraw/zinc/96/07/18/568960718.db2.gz BRUAFDLWWKBXSX-UHFFFAOYSA-N 0 0 425.439 3.896 50 0 IHAARN COc1cccc(C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146434 568962754 /nfs/dbraw/zinc/96/27/54/568962754.db2.gz GQIYZWJBAHIZBS-VWNXMTODSA-N 0 0 444.547 3.863 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@@H]1CCCO1)C(=O)NC(C)(C)C ZINC000006723171 568963265 /nfs/dbraw/zinc/96/32/65/568963265.db2.gz LAXTVSWYXJAMBY-FQEVSTJZSA-N 0 0 430.593 3.980 50 0 IHAARN COc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)cc1 ZINC000064815844 568963658 /nfs/dbraw/zinc/96/36/58/568963658.db2.gz IQKQIMNOJBFTPX-QHCPKHFHSA-N 0 0 438.553 3.954 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(CCc3ccccc3)c(=O)c21 ZINC000064817084 568964415 /nfs/dbraw/zinc/96/44/15/568964415.db2.gz NEVXYKGBDXNHTD-UHFFFAOYSA-N 0 0 447.564 3.895 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064816268 568964987 /nfs/dbraw/zinc/96/49/87/568964987.db2.gz OYEQJQCWYAJVJS-XMMPIXPASA-N 0 0 434.496 3.630 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036157555 568966228 /nfs/dbraw/zinc/96/62/28/568966228.db2.gz WMNHIANUUVMZMK-QHCPKHFHSA-N 0 0 435.568 3.514 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCC(C)C ZINC000036158717 568966734 /nfs/dbraw/zinc/96/67/34/568966734.db2.gz HMYYVPIIDNMENO-QGZVFWFLSA-N 0 0 435.634 3.745 50 0 IHAARN CC(C)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCc1ccccc1 ZINC000036158783 568966850 /nfs/dbraw/zinc/96/68/50/568966850.db2.gz JEYCDCIAHSJGFB-SFHVURJKSA-N 0 0 441.597 3.509 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167527 568968616 /nfs/dbraw/zinc/96/86/16/568968616.db2.gz BDWIPCQUPKIFND-QFIPXVFZSA-N 0 0 430.476 3.658 50 0 IHAARN C[C@H](C(=O)NCc1cccc(Br)c1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839656 568969695 /nfs/dbraw/zinc/96/96/95/568969695.db2.gz ZAQZEEVPXULKBL-CYBMUJFWSA-N 0 0 439.313 3.528 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064841653 568970495 /nfs/dbraw/zinc/97/04/95/568970495.db2.gz PSTIPIKQYHJWDH-UHFFFAOYSA-N 0 0 442.324 3.915 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3cccc(SC)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842583 568970773 /nfs/dbraw/zinc/97/07/73/568970773.db2.gz NCPQAYOYPKCBLL-UHFFFAOYSA-N 0 0 436.493 3.729 50 0 IHAARN COc1ccc(-c2nn([C@H](C)C(=O)Nc3cccc(OC)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842764 568970933 /nfs/dbraw/zinc/97/09/33/568970933.db2.gz RLNQOAUUAJHAQC-CYBMUJFWSA-N 0 0 434.452 3.577 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)c3c(C)onc3c2=O)cc1 ZINC000064842738 568971029 /nfs/dbraw/zinc/97/10/29/568971029.db2.gz BTIMXCQSAQJIRP-AWEZNQCLSA-N 0 0 448.479 3.967 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000064847308 568971109 /nfs/dbraw/zinc/97/11/09/568971109.db2.gz PYONDRLVHBMMLD-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N(C)Cc1ccccc1 ZINC000064866731 568974790 /nfs/dbraw/zinc/97/47/90/568974790.db2.gz IPWSELWVXIRGHJ-UHFFFAOYSA-N 0 0 442.537 3.789 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CCC(C)CC1 ZINC000064866922 568974831 /nfs/dbraw/zinc/97/48/31/568974831.db2.gz TXNDTHYQDAEVHD-UHFFFAOYSA-N 0 0 434.558 3.826 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210634 568974986 /nfs/dbraw/zinc/97/49/86/568974986.db2.gz DIUDZNFVNFGJSU-DYESRHJHSA-N 0 0 441.597 3.622 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210655 568974999 /nfs/dbraw/zinc/97/49/99/568974999.db2.gz FOPLOXVNMHBFQS-PGRDOPGGSA-N 0 0 429.605 3.683 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036211814 568975604 /nfs/dbraw/zinc/97/56/04/568975604.db2.gz MDWZYBQEGPGMTR-XMMPIXPASA-N 0 0 449.595 3.823 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(F)c2)c2cc(C)c(C)cc2N1 ZINC000064869332 568975883 /nfs/dbraw/zinc/97/58/83/568975883.db2.gz KKBSKYWDPFAWKI-UHFFFAOYSA-N 0 0 425.460 3.677 50 0 IHAARN CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036212285 568976013 /nfs/dbraw/zinc/97/60/13/568976013.db2.gz HHXFPNSXNRFVCW-IBGZPJMESA-N 0 0 447.988 3.579 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036213143 568976749 /nfs/dbraw/zinc/97/67/49/568976749.db2.gz CEZVKKFCTWRNBY-AVRDEDQJSA-N 0 0 429.605 3.683 50 0 IHAARN CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCC2CC2)c1 ZINC000036219183 568977758 /nfs/dbraw/zinc/97/77/58/568977758.db2.gz HDEUROJLLPMJNP-PKTZIBPZSA-N 0 0 435.524 3.932 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)o1 ZINC000064873443 568978448 /nfs/dbraw/zinc/97/84/48/568978448.db2.gz FRZVBACGIRHAFU-UHFFFAOYSA-N 0 0 433.439 3.782 50 0 IHAARN Cc1cccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1C ZINC000064889107 568980284 /nfs/dbraw/zinc/98/02/84/568980284.db2.gz ONHZKVYHOGTHIE-UHFFFAOYSA-N 0 0 440.569 3.857 50 0 IHAARN CCCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2nc(C)c1=O ZINC000064890404 568981354 /nfs/dbraw/zinc/98/13/54/568981354.db2.gz SKYOFNLJIYCRJX-QGZVFWFLSA-N 0 0 429.480 3.685 50 0 IHAARN CCCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2nc(C)c1=O ZINC000064890405 568981360 /nfs/dbraw/zinc/98/13/60/568981360.db2.gz SKYOFNLJIYCRJX-KRWDZBQOSA-N 0 0 429.480 3.685 50 0 IHAARN C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036250202 568983757 /nfs/dbraw/zinc/98/37/57/568983757.db2.gz KYEQEWLEUXAXLD-OFVILXPXSA-N 0 0 425.617 3.723 50 0 IHAARN CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036253157 568984337 /nfs/dbraw/zinc/98/43/37/568984337.db2.gz MTGQSOMQKJYEIF-IBGZPJMESA-N 0 0 426.388 3.836 50 0 IHAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)Nc2ccc(F)cc2Cl)n1C ZINC000064922891 568986300 /nfs/dbraw/zinc/98/63/00/568986300.db2.gz WLPNGRITRRZJEB-UHFFFAOYSA-N 0 0 427.929 3.799 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000064924482 568986312 /nfs/dbraw/zinc/98/63/12/568986312.db2.gz JQSIUULDCUSFJZ-UHFFFAOYSA-N 0 0 432.572 3.561 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928365 568987580 /nfs/dbraw/zinc/98/75/80/568987580.db2.gz AVJOLPVWTCGUBE-QGZVFWFLSA-N 0 0 440.906 3.558 50 0 IHAARN Cc1ccccc1-c1cc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)ncn1 ZINC000064929271 568988184 /nfs/dbraw/zinc/98/81/84/568988184.db2.gz SDPWVWOMMWAOBO-UHFFFAOYSA-N 0 0 436.581 3.888 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064929896 568988244 /nfs/dbraw/zinc/98/82/44/568988244.db2.gz GVZIUNSYIXHIIS-GOSISDBHSA-N 0 0 440.500 3.844 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)s2)cc1 ZINC000064930145 568988525 /nfs/dbraw/zinc/98/85/25/568988525.db2.gz HEBZMUBKPXZHSJ-GOSISDBHSA-N 0 0 440.500 3.980 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2C(=O)c2cccc(F)c2)s1 ZINC000064930319 568988647 /nfs/dbraw/zinc/98/86/47/568988647.db2.gz MJLFCQRZDJIBKJ-HNNXBMFYSA-N 0 0 440.456 3.636 50 0 IHAARN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3OC)C[C@@H]12 ZINC000169677901 568990349 /nfs/dbraw/zinc/99/03/49/568990349.db2.gz VTOUSPFBLDDELW-XLIONFOSSA-N 0 0 433.474 3.718 50 0 IHAARN CC[C@H](C)[C@H](NC[C@@H](O)COc1ccccc1C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169679857 568991251 /nfs/dbraw/zinc/99/12/51/568991251.db2.gz XKSDOHPKVSQBOJ-REDKUUPNSA-N 0 0 439.512 3.890 50 0 IHAARN Cc1cc(C)c(Cn2nc3n(c4ccsc4c(=O)n3Cc3cccs3)c2=O)c(C)c1 ZINC000064946496 568994285 /nfs/dbraw/zinc/99/42/85/568994285.db2.gz FDDRQKAIHWUOLL-UHFFFAOYSA-N 0 0 436.562 3.956 50 0 IHAARN O=c1n(Cc2cccc(F)c2)nc2n1c1ccsc1c(=O)n2Cc1ccc(Cl)cc1 ZINC000064946451 568994325 /nfs/dbraw/zinc/99/43/25/568994325.db2.gz GOCIUDFJGMYTEW-UHFFFAOYSA-N 0 0 440.887 3.762 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000064950766 568996117 /nfs/dbraw/zinc/99/61/17/568996117.db2.gz GACPQYJJRRDLSA-UHFFFAOYSA-N 0 0 441.597 3.730 50 0 IHAARN COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)C3CCCC3)CC2)cc1OC ZINC000036311859 568997431 /nfs/dbraw/zinc/99/74/31/568997431.db2.gz PRVRDDCSQGCKCE-QHCPKHFHSA-N 0 0 443.588 3.536 50 0 IHAARN O=C1N[C@H](c2ccc(Br)cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169688938 569000433 /nfs/dbraw/zinc/00/04/33/569000433.db2.gz DNRBHMCGLHWPTR-VBQJREDUSA-N 0 0 443.219 3.553 50 0 IHAARN COc1cccc(CNC(=O)c2nnn(Cc3nc(-c4ccc(C)cc4)oc3C)c2C)c1 ZINC000064967702 569001294 /nfs/dbraw/zinc/00/12/94/569001294.db2.gz JKNCMEYSFTWECL-UHFFFAOYSA-N 0 0 431.496 3.845 50 0 IHAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccc(F)cc3)c3ccccc32)cc1 ZINC000064971478 569076226 /nfs/dbraw/zinc/07/62/26/569076226.db2.gz KOGCLMAYXIGJLO-UHFFFAOYSA-N 0 0 446.482 3.836 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCc1cccc(F)c1 ZINC000064971419 569076256 /nfs/dbraw/zinc/07/62/56/569076256.db2.gz WSMMMBYUHPWMNV-UHFFFAOYSA-N 0 0 432.455 3.527 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972104 569076767 /nfs/dbraw/zinc/07/67/67/569076767.db2.gz FINSVGQWOUGNLR-QFIPXVFZSA-N 0 0 440.952 3.772 50 0 IHAARN COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000064971851 569076804 /nfs/dbraw/zinc/07/68/04/569076804.db2.gz TXVRILSSOBGFIR-UHFFFAOYSA-N 0 0 448.454 3.969 50 0 IHAARN Cc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC000064971832 569076867 /nfs/dbraw/zinc/07/68/67/569076867.db2.gz JXJNUMKOOXNGOJ-UHFFFAOYSA-N 0 0 432.455 3.638 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(OCc3ccccc3)cc1)n(C)c(=O)n2C ZINC000064976574 569077125 /nfs/dbraw/zinc/07/71/25/569077125.db2.gz JNMYYIWBVGVCQR-UHFFFAOYSA-N 0 0 437.521 3.565 50 0 IHAARN Cc1ccc(NC(=O)COc2ccccc2F)c(OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976762 569077273 /nfs/dbraw/zinc/07/72/73/569077273.db2.gz KLQGYMUGYWPZKK-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN CC(C)C(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000064977123 569077499 /nfs/dbraw/zinc/07/74/99/569077499.db2.gz NESRKYVZGBFSSS-UHFFFAOYSA-N 0 0 443.388 3.534 50 0 IHAARN CCCn1nnc2cc(C(=O)NCCC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000064977747 569077550 /nfs/dbraw/zinc/07/75/50/569077550.db2.gz QUIGUGVPVNWNOF-UHFFFAOYSA-N 0 0 448.296 3.502 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c(C)c1 ZINC000064977925 569077803 /nfs/dbraw/zinc/07/78/03/569077803.db2.gz DFHVGLOONGBBBN-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000006822565 569078128 /nfs/dbraw/zinc/07/81/28/569078128.db2.gz CRHCZOKSDSPKSN-UHFFFAOYSA-N 0 0 427.570 3.668 50 0 IHAARN O=C(CN1CCC2(CC1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036342527 569079428 /nfs/dbraw/zinc/07/94/28/569079428.db2.gz QTEZBMCFAUSESH-JOCHJYFZSA-N 0 0 439.943 3.857 50 0 IHAARN CCCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986193 569081872 /nfs/dbraw/zinc/08/18/72/569081872.db2.gz FOGTVUZGMRHSTM-HXUWFJFHSA-N 0 0 436.961 3.911 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985373 569082027 /nfs/dbraw/zinc/08/20/27/569082027.db2.gz ZKSJLZRCNLSFHK-FQEVSTJZSA-N 0 0 430.432 3.560 50 0 IHAARN CN(C)S(=O)(=O)c1cc2c(cc1N1CCc3ccccc3C1)Oc1ccccc1NC2=O ZINC000064986527 569082212 /nfs/dbraw/zinc/08/22/12/569082212.db2.gz FGTBSYUXMMAUNP-UHFFFAOYSA-N 0 0 449.532 3.858 50 0 IHAARN COc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988729 569083685 /nfs/dbraw/zinc/08/36/85/569083685.db2.gz YGRSAITXGAATSV-UHFFFAOYSA-N 0 0 426.492 3.768 50 0 IHAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)NC[C@H]3CCCO3)c2C1 ZINC000065000863 569086151 /nfs/dbraw/zinc/08/61/51/569086151.db2.gz SQSSDUGRYLTZBC-MRXNPFEDSA-N 0 0 428.916 3.555 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000036360682 569086682 /nfs/dbraw/zinc/08/66/82/569086682.db2.gz KAPSCCONFHDGEW-NHCUHLMSSA-N 0 0 449.532 3.798 50 0 IHAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)N5CCOCC5)CC4)ccc3o2)cc1 ZINC000065006233 569087248 /nfs/dbraw/zinc/08/72/48/569087248.db2.gz VAYYRULCLZFOPN-UHFFFAOYSA-N 0 0 447.535 3.904 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)N2CCOCC2)CC1 ZINC000065006359 569087390 /nfs/dbraw/zinc/08/73/90/569087390.db2.gz GQLZHNJWVRNQAI-UHFFFAOYSA-N 0 0 427.570 3.528 50 0 IHAARN COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)c3cccc(F)c3)ccc2n1C ZINC000036370045 569088576 /nfs/dbraw/zinc/08/85/76/569088576.db2.gz JWDFTZRERHICQE-UHFFFAOYSA-N 0 0 449.486 3.681 50 0 biogenic IHAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021127 569088665 /nfs/dbraw/zinc/08/86/65/569088665.db2.gz PDHWJCOIJUSTRC-UHFFFAOYSA-N 0 0 429.542 3.726 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1OC ZINC000065021169 569088813 /nfs/dbraw/zinc/08/88/13/569088813.db2.gz XUJHHBSRKBWHSN-UHFFFAOYSA-N 0 0 430.526 3.539 50 0 IHAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC[C@H]3CCCO3)no2)cc1 ZINC000065027127 569090135 /nfs/dbraw/zinc/09/01/35/569090135.db2.gz UFIFBGAMRHZXTR-LJQANCHMSA-N 0 0 435.480 3.723 50 0 IHAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC[C@@H]3CCCO3)no2)cc1 ZINC000065027126 569090140 /nfs/dbraw/zinc/09/01/40/569090140.db2.gz UFIFBGAMRHZXTR-IBGZPJMESA-N 0 0 435.480 3.723 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 ZINC000065027084 569090176 /nfs/dbraw/zinc/09/01/76/569090176.db2.gz KFGCHRAPMFMVGC-LJQANCHMSA-N 0 0 439.443 3.554 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025670 569090765 /nfs/dbraw/zinc/09/07/65/569090765.db2.gz SRLHIEJQSMLRHD-UHFFFAOYSA-N 0 0 429.524 3.833 50 0 IHAARN CN1CCN(C(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)[C@H](c2ccccc2)C1 ZINC000065025672 569090785 /nfs/dbraw/zinc/09/07/85/569090785.db2.gz SCBMIOYTZVRXKO-DEOSSOPVSA-N 0 0 427.552 3.873 50 0 IHAARN COc1ccccc1NC(=O)CSc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000065025861 569090902 /nfs/dbraw/zinc/09/09/02/569090902.db2.gz KOOVQDPEQNKYLJ-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN Cc1ccc(CNC(=O)CSc2ccc(N3CCN(c4cccc(C)c4)CC3)nn2)cc1 ZINC000065026141 569091010 /nfs/dbraw/zinc/09/10/10/569091010.db2.gz DNNYKVVHECLIOF-UHFFFAOYSA-N 0 0 447.608 3.829 50 0 IHAARN COc1ccccc1N1CCN(C(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCC2)CC1 ZINC000065029591 569091064 /nfs/dbraw/zinc/09/10/64/569091064.db2.gz DDMMQNXIIGUJAM-UHFFFAOYSA-N 0 0 433.552 3.814 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(OC)cc2)cc1 ZINC000065030194 569091196 /nfs/dbraw/zinc/09/11/96/569091196.db2.gz NGKXJHAKSHXNLU-UHFFFAOYSA-N 0 0 430.464 3.917 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)nnn4Cc3ccccc3C)CC2)c1 ZINC000065030263 569091230 /nfs/dbraw/zinc/09/12/30/569091230.db2.gz CXRBAIZYPGVHNJ-UHFFFAOYSA-N 0 0 441.535 3.759 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2cccc(OC)c2)c1 ZINC000065030340 569091239 /nfs/dbraw/zinc/09/12/39/569091239.db2.gz JFYGDCRSOWNRPZ-UHFFFAOYSA-N 0 0 430.464 3.917 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c2cc(OC)c(OC)cc2n1 ZINC000065033467 569091815 /nfs/dbraw/zinc/09/18/15/569091815.db2.gz YLWIKPPKLNGBPS-UHFFFAOYSA-N 0 0 438.480 3.981 50 0 IHAARN CSc1ccc(CNC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000065034837 569091922 /nfs/dbraw/zinc/09/19/22/569091922.db2.gz CDZJKTZFOJJFBD-UHFFFAOYSA-N 0 0 441.984 3.886 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)cc1 ZINC000065034484 569092134 /nfs/dbraw/zinc/09/21/34/569092134.db2.gz RSSKTAPBLMOFMY-UHFFFAOYSA-N 0 0 425.554 3.621 50 0 IHAARN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000065035673 569092252 /nfs/dbraw/zinc/09/22/52/569092252.db2.gz ZEWHTDMJYPVCOL-UHFFFAOYSA-N 0 0 431.471 3.693 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000169755732 569093562 /nfs/dbraw/zinc/09/35/62/569093562.db2.gz URMGXMATUMSXBW-SFHVURJKSA-N 0 0 439.468 3.748 50 0 IHAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(Br)c1 ZINC000169759551 569094073 /nfs/dbraw/zinc/09/40/73/569094073.db2.gz XNQOCQAJZDCWQS-QGZVFWFLSA-N 0 0 429.293 3.987 50 0 IHAARN CC(C)c1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccccc3Cl)NC2=O)c1 ZINC000169758064 569094295 /nfs/dbraw/zinc/09/42/95/569094295.db2.gz LJLJNLNKBRLEDM-NRFANRHFSA-N 0 0 439.899 3.979 50 0 IHAARN CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(OC)c(F)c5)no4)c3CO2)cc1 ZINC000169758431 569094406 /nfs/dbraw/zinc/09/44/06/569094406.db2.gz UYEZPUKRWNCIFD-IBGZPJMESA-N 0 0 437.431 3.813 50 0 IHAARN CCOc1ccccc1CNC(=O)CCc1nc2onc(C)c2c(N2CCCCCC2)n1 ZINC000065056607 569094930 /nfs/dbraw/zinc/09/49/30/569094930.db2.gz KSIXLUWUZGSSOY-UHFFFAOYSA-N 0 0 437.544 3.954 50 0 IHAARN COc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(OC)c1 ZINC000065058736 569095513 /nfs/dbraw/zinc/09/55/13/569095513.db2.gz OFHFYQPCNCKTJW-XMMPIXPASA-N 0 0 425.529 3.963 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000065059515 569096209 /nfs/dbraw/zinc/09/62/09/569096209.db2.gz VGVMRJOBWFRDEX-OAQYLSRUSA-N 0 0 438.952 3.895 50 0 IHAARN C[C@@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000036393386 569098427 /nfs/dbraw/zinc/09/84/27/569098427.db2.gz YPRWIOHOYNXOIE-OAHLLOKOSA-N 0 0 433.541 3.628 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000065074950 569099331 /nfs/dbraw/zinc/09/93/31/569099331.db2.gz XMYOCYXNJPMQMY-AREMUKBSSA-N 0 0 430.504 3.982 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000036398186 569101158 /nfs/dbraw/zinc/10/11/58/569101158.db2.gz QVGJQBXXPHLLJH-NRFANRHFSA-N 0 0 442.471 3.745 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(F)cc1)CO2 ZINC000065082652 569102421 /nfs/dbraw/zinc/10/24/21/569102421.db2.gz QDIGRDQMTIVEMK-SFHVURJKSA-N 0 0 434.467 3.954 50 0 IHAARN O=C(c1ccc(F)cc1Cl)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778010 569102474 /nfs/dbraw/zinc/10/24/74/569102474.db2.gz WIYDJIUEWZTJFR-OAHLLOKOSA-N 0 0 438.850 3.875 50 0 IHAARN O=C(N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1)C1(c2ccccc2)CC1 ZINC000169778037 569102637 /nfs/dbraw/zinc/10/26/37/569102637.db2.gz XIAVYFWFZBNSNS-LJQANCHMSA-N 0 0 426.480 3.500 50 0 IHAARN COc1ccc(-c2ccc3nnc(CNC(=O)[C@H](C)Oc4ccc(Cl)cc4)n3n2)cc1 ZINC000169778559 569102708 /nfs/dbraw/zinc/10/27/08/569102708.db2.gz QFXGOYVLNZSJRN-AWEZNQCLSA-N 0 0 437.887 3.537 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085457 569102911 /nfs/dbraw/zinc/10/29/11/569102911.db2.gz WPCSZBCWQDSUNI-UHFFFAOYSA-N 0 0 435.910 3.893 50 0 IHAARN O=C(N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1)C1(c2ccccc2)CC1 ZINC000169777551 569103045 /nfs/dbraw/zinc/10/30/45/569103045.db2.gz FSHRUXJLTZNADG-UHFFFAOYSA-N 0 0 440.507 3.890 50 0 IHAARN O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)o1 ZINC000169780772 569103121 /nfs/dbraw/zinc/10/31/21/569103121.db2.gz PSPRWQWMRFBOET-CQSZACIVSA-N 0 0 433.281 3.970 50 0 IHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098805 569104210 /nfs/dbraw/zinc/10/42/10/569104210.db2.gz AZWBKZSTBRXQQR-UHFFFAOYSA-N 0 0 446.554 3.558 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(N2CCC(C)CC2)c2ccccc21 ZINC000065102000 569106043 /nfs/dbraw/zinc/10/60/43/569106043.db2.gz HCTOGFNQBMJYPT-UHFFFAOYSA-N 0 0 440.931 3.934 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)no2)c1 ZINC000065112144 569108060 /nfs/dbraw/zinc/10/80/60/569108060.db2.gz YZUPFHRMSRQUBV-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)no2)c1 ZINC000065112179 569108073 /nfs/dbraw/zinc/10/80/73/569108073.db2.gz WPTMXGOQKIPDEJ-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)c1 ZINC000065112724 569108160 /nfs/dbraw/zinc/10/81/60/569108160.db2.gz GJVXILYAQJGQAQ-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ncn3n2)c1 ZINC000065112684 569108197 /nfs/dbraw/zinc/10/81/97/569108197.db2.gz AJMXGMBEIZTJBY-UHFFFAOYSA-N 0 0 432.871 3.927 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2c1=O ZINC000065113556 569108392 /nfs/dbraw/zinc/10/83/92/569108392.db2.gz NUZZYGUZNMBCMW-UHFFFAOYSA-N 0 0 448.498 3.988 50 0 IHAARN CCOc1ccc(CC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1 ZINC000065118015 569108886 /nfs/dbraw/zinc/10/88/86/569108886.db2.gz DHZQYVNMKRIPDO-UHFFFAOYSA-N 0 0 435.528 3.545 50 0 IHAARN COc1cc(Cl)ccc1C(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118149 569108900 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Cc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1F ZINC000065315225 569135829 /nfs/dbraw/zinc/13/58/29/569135829.db2.gz BIGMJHBEPILGNN-UHFFFAOYSA-N 0 0 437.512 3.886 50 0 IHAARN COc1ccc(C)c2sc(N3CCN(C(=O)Nc4cccc(OC)c4OC)CC3)nc21 ZINC000036709070 569136116 /nfs/dbraw/zinc/13/61/16/569136116.db2.gz CQCILXRWLWNCCO-UHFFFAOYSA-N 0 0 442.541 3.985 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 ZINC000036709924 569136195 /nfs/dbraw/zinc/13/61/95/569136195.db2.gz DNBSTVVIERWIQW-UHFFFAOYSA-N 0 0 432.471 3.970 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)N3CCCC[C@@H]3C)n(Cc3cccs3)c(=O)c21 ZINC000065321341 569136510 /nfs/dbraw/zinc/13/65/10/569136510.db2.gz IQLBQYRVLHPULC-AWEZNQCLSA-N 0 0 445.614 3.524 50 0 IHAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065329663 569136933 /nfs/dbraw/zinc/13/69/33/569136933.db2.gz YGTNBYIZDNTXLX-UHFFFAOYSA-N 0 0 428.920 3.570 50 0 IHAARN COC(=O)c1ccc(CSc2nc3c(cnn3Cc3cccc(Cl)c3)c(=O)[nH]2)cc1 ZINC000036712363 569137329 /nfs/dbraw/zinc/13/73/29/569137329.db2.gz MBTIYXHWIKBXJQ-UHFFFAOYSA-N 0 0 440.912 3.900 50 0 IHAARN COc1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OC(F)F ZINC000036740960 569137351 /nfs/dbraw/zinc/13/73/51/569137351.db2.gz CCNQHTPCSSZLFP-SFHVURJKSA-N 0 0 444.478 3.797 50 0 IHAARN O=S(=O)(c1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1)N1CCOCC1 ZINC000170129387 569137467 /nfs/dbraw/zinc/13/74/67/569137467.db2.gz RCWXROYUFLPSFZ-UHFFFAOYSA-N 0 0 433.530 3.582 50 0 IHAARN CCC[C@H](C)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC000036885038 569138699 /nfs/dbraw/zinc/13/86/99/569138699.db2.gz HJZOANJVZHTLCR-ZJBJCVSYSA-N 0 0 428.554 3.999 50 0 IHAARN NC(=O)c1cccc(COC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 ZINC000065567918 569139851 /nfs/dbraw/zinc/13/98/51/569139851.db2.gz KTRXOAKWACLALY-UHFFFAOYSA-N 0 0 440.565 3.931 50 0 IHAARN O=C(CCn1ccccc1=O)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000170607638 569144463 /nfs/dbraw/zinc/14/44/63/569144463.db2.gz DQIGVDPJSDBBHK-UHFFFAOYSA-N 0 0 447.373 3.725 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(c2cnc(NC(=O)c3ccc(F)cc3Cl)cn2)CC1 ZINC000170610481 569145015 /nfs/dbraw/zinc/14/50/15/569145015.db2.gz QOPZFTUUPRECIY-UHFFFAOYSA-N 0 0 435.887 3.579 50 0 IHAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccncc3)CC2)c1 ZINC000037285108 569145905 /nfs/dbraw/zinc/14/59/05/569145905.db2.gz YREQAPCERVGSEA-UHFFFAOYSA-N 0 0 428.536 3.719 50 0 IHAARN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccc(OC3CCCC3)c2)cc1 ZINC000170617238 569147159 /nfs/dbraw/zinc/14/71/59/569147159.db2.gz PILXNSCPPXKOTF-UHFFFAOYSA-N 0 0 430.570 3.507 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000170619693 569147653 /nfs/dbraw/zinc/14/76/53/569147653.db2.gz FOIBAVKDBWEPLZ-UHFFFAOYSA-N 0 0 438.505 3.941 50 0 IHAARN O=C(CSc1nnc(Cc2c(F)cccc2Cl)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000170620565 569147869 /nfs/dbraw/zinc/14/78/69/569147869.db2.gz MQNFIIBMBSJVGT-UHFFFAOYSA-N 0 0 433.848 3.759 50 0 IHAARN COc1ccccc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2cccc(F)c2)C1 ZINC000170625892 569148442 /nfs/dbraw/zinc/14/84/42/569148442.db2.gz XDKUHSFUKFRIRN-OAQYLSRUSA-N 0 0 425.485 3.837 50 0 IHAARN O=C(NCc1nc(-c2ccncc2)cs1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626265 569148630 /nfs/dbraw/zinc/14/86/30/569148630.db2.gz SQLZASKHRUPFJV-UHFFFAOYSA-N 0 0 441.310 3.739 50 0 IHAARN CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000170626637 569148709 /nfs/dbraw/zinc/14/87/09/569148709.db2.gz OOSBQEAIZQFNQH-KBPBESRZSA-N 0 0 427.339 3.738 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 ZINC000009870769 569149412 /nfs/dbraw/zinc/14/94/12/569149412.db2.gz HZXRVOILVFOWPQ-UHFFFAOYSA-N 0 0 446.540 3.956 50 0 IHAARN O=C(OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2)C1=COCCO1 ZINC000009882976 569149853 /nfs/dbraw/zinc/14/98/53/569149853.db2.gz HRMSJMHPWNBUPY-FQEVSTJZSA-N 0 0 433.254 3.988 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccco2)o1)OCc1ccccc1 ZINC000009883833 569150149 /nfs/dbraw/zinc/15/01/49/569150149.db2.gz MDBGMGANYAPJAC-GOSISDBHSA-N 0 0 432.436 3.806 50 0 IHAARN Oc1ccc(Br)cc1C(=S)N1CCN(C(=S)Nc2ccccc2)CC1 ZINC000009910261 569150476 /nfs/dbraw/zinc/15/04/76/569150476.db2.gz GARWFVDKHVPZFD-UHFFFAOYSA-N 0 0 436.400 3.845 50 0 IHAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000071282889 569150997 /nfs/dbraw/zinc/15/09/97/569150997.db2.gz ALAIFKWWUDXKJZ-MRXNPFEDSA-N 0 0 437.452 3.925 50 0 IHAARN Cc1ccc(-c2noc(CCCCCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009955218 569151157 /nfs/dbraw/zinc/15/11/57/569151157.db2.gz JBKBXIRTEODAED-UHFFFAOYSA-N 0 0 443.525 3.508 50 0 IHAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccn(C)n3)c2)c1 ZINC000009955927 569151320 /nfs/dbraw/zinc/15/13/20/569151320.db2.gz OYRJFDMTMBGAPP-UHFFFAOYSA-N 0 0 449.330 3.544 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCS[C@@H]1c1ccccc1F ZINC000010026969 569151668 /nfs/dbraw/zinc/15/16/68/569151668.db2.gz ANOOTMFEWOOYAG-LJQANCHMSA-N 0 0 445.497 3.971 50 0 IHAARN COc1ccc([C@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000010078619 569152607 /nfs/dbraw/zinc/15/26/07/569152607.db2.gz QXIXUTXFVNVULJ-QHCPKHFHSA-N 0 0 436.533 3.849 50 0 IHAARN CCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119443 569152749 /nfs/dbraw/zinc/15/27/49/569152749.db2.gz HMQBKEXYAPDIQV-UHFFFAOYSA-N 0 0 437.359 3.730 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000071794784 569154345 /nfs/dbraw/zinc/15/43/45/569154345.db2.gz WAZOWAFFAKBNNZ-OJNXCIKNSA-N 0 0 438.616 3.655 50 0 IHAARN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 ZINC000071820897 569154619 /nfs/dbraw/zinc/15/46/19/569154619.db2.gz GFPIHWROWPBTOW-HNNXBMFYSA-N 0 0 437.931 3.709 50 0 IHAARN O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1cccs1 ZINC000013654659 569156431 /nfs/dbraw/zinc/15/64/31/569156431.db2.gz HHPUOCTYLNWZPS-UHFFFAOYSA-N 0 0 432.548 3.767 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013604520 569156445 /nfs/dbraw/zinc/15/64/45/569156445.db2.gz RMEGPJHCPVRSHX-UHFFFAOYSA-N 0 0 432.402 3.759 50 0 IHAARN COCCNC(=O)Cc1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000013717075 569156894 /nfs/dbraw/zinc/15/68/94/569156894.db2.gz APLPAYBXYIFILM-UHFFFAOYSA-N 0 0 427.888 3.861 50 0 IHAARN Cc1ccc(OCC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(C)c1 ZINC000013801535 569157160 /nfs/dbraw/zinc/15/71/60/569157160.db2.gz GIQIUYQJYQHLLZ-UHFFFAOYSA-N 0 0 425.916 3.766 50 0 IHAARN O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014015994 569157524 /nfs/dbraw/zinc/15/75/24/569157524.db2.gz CJIATNODQJFTDZ-LBPRGKRZSA-N 0 0 437.493 3.614 50 0 IHAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc(Cl)c1OC ZINC000014129486 569157968 /nfs/dbraw/zinc/15/79/68/569157968.db2.gz FQTACBQIKYEQSZ-YVLHZVERSA-N 0 0 446.912 3.824 50 0 IHAARN CN(Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000014285536 569158555 /nfs/dbraw/zinc/15/85/55/569158555.db2.gz BXVOXRGKFYHMPO-GOSISDBHSA-N 0 0 449.001 3.800 50 0 IHAARN O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Br)c(Br)s1 ZINC000014392860 569159011 /nfs/dbraw/zinc/15/90/11/569159011.db2.gz MNDBFVCOAOTZJR-UHFFFAOYSA-N 0 0 429.097 3.501 50 0 IHAARN Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Oc4ccccn4)cc3)CC2)cc1 ZINC000089629614 569160125 /nfs/dbraw/zinc/16/01/25/569160125.db2.gz HOBNBXISZVHBDT-UHFFFAOYSA-N 0 0 445.519 3.982 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c(OC)c1 ZINC000016845371 569163844 /nfs/dbraw/zinc/16/38/44/569163844.db2.gz DDUZPRUVKDOEHQ-UHFFFAOYSA-N 0 0 426.494 3.801 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OCC)c(OC)c4)no3)n2)cc1 ZINC000016845922 569163867 /nfs/dbraw/zinc/16/38/67/569163867.db2.gz SWSZHKURSIHVNN-UHFFFAOYSA-N 0 0 448.479 3.815 50 0 IHAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1 ZINC000016845925 569163871 /nfs/dbraw/zinc/16/38/71/569163871.db2.gz VMXNVFPMCLZHEG-UHFFFAOYSA-N 0 0 439.269 3.780 50 0 IHAARN O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000016845628 569163895 /nfs/dbraw/zinc/16/38/95/569163895.db2.gz LTNKGHWRYQBJNU-UHFFFAOYSA-N 0 0 427.233 3.910 50 0 IHAARN Cc1cc(NC(=O)CC2CCCC2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)n1 ZINC000016847665 569164125 /nfs/dbraw/zinc/16/41/25/569164125.db2.gz JZKYOZZPNHUCKU-UHFFFAOYSA-N 0 0 431.500 3.842 50 0 IHAARN COC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)cc1 ZINC000016849242 569164548 /nfs/dbraw/zinc/16/45/48/569164548.db2.gz XFFFBHVXJIAIPX-UHFFFAOYSA-N 0 0 430.530 3.955 50 0 IHAARN CCN(CC)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)c(C)c1 ZINC000016849703 569164627 /nfs/dbraw/zinc/16/46/27/569164627.db2.gz VRGPYVWJTYIATR-UHFFFAOYSA-N 0 0 436.560 3.607 50 0 IHAARN COC(=O)c1cc(-c2ccco2)nc2c1c(-c1cccs1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850657 569164780 /nfs/dbraw/zinc/16/47/80/569164780.db2.gz GYPASJQUZNYVQK-GFCCVEGCSA-N 0 0 443.506 3.566 50 0 IHAARN CCCNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 ZINC000016865102 569165062 /nfs/dbraw/zinc/16/50/62/569165062.db2.gz PUQDUTYRSYPOHZ-HNNXBMFYSA-N 0 0 426.542 3.958 50 0 IHAARN O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2ccccc2F)CCCC1 ZINC000089813382 569165105 /nfs/dbraw/zinc/16/51/05/569165105.db2.gz DIMKSTXPVLQGES-UHFFFAOYSA-N 0 0 436.574 3.669 50 0 IHAARN O=C(CNC(=O)OCc1ccccc1)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000089836615 569165283 /nfs/dbraw/zinc/16/52/83/569165283.db2.gz ATCBHIVVAMTSGE-UHFFFAOYSA-N 0 0 445.825 3.565 50 0 IHAARN O=C(c1cccc2ccccc21)N1CCC[C@H](C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000089873170 569166403 /nfs/dbraw/zinc/16/64/03/569166403.db2.gz TXIJDOHWZPRMAP-RXVVDRJESA-N 0 0 448.485 3.854 50 0 IHAARN COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1 ZINC000089888087 569166672 /nfs/dbraw/zinc/16/66/72/569166672.db2.gz MJRBFRHUSMAHFY-UHFFFAOYSA-N 0 0 432.542 3.909 50 0 IHAARN COc1cc2nc3sc(Nc4ccc(Br)cc4)nn3c(=O)c2cc1OC ZINC000016944191 569166896 /nfs/dbraw/zinc/16/68/96/569166896.db2.gz PKTRDDPGSQYGLS-UHFFFAOYSA-N 0 0 433.287 3.828 50 0 IHAARN COc1cc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc(OC)c1OC ZINC000016943415 569166971 /nfs/dbraw/zinc/16/69/71/569166971.db2.gz ZAPNUWNXWCWSLQ-UHFFFAOYSA-N 0 0 444.538 3.518 50 0 IHAARN COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000089904835 569167116 /nfs/dbraw/zinc/16/71/16/569167116.db2.gz IFEVOXKDMXJQPQ-OALUTQOASA-N 0 0 429.460 3.775 50 0 IHAARN CC(=O)N[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000016956620 569167492 /nfs/dbraw/zinc/16/74/92/569167492.db2.gz XPIBCNBRWGFJER-COCOZHNXSA-N 0 0 432.605 3.580 50 0 IHAARN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O ZINC000089919834 569167817 /nfs/dbraw/zinc/16/78/17/569167817.db2.gz LJFLXRATZZDBHI-HNNXBMFYSA-N 0 0 445.504 3.748 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000016959636 569168100 /nfs/dbraw/zinc/16/81/00/569168100.db2.gz NRVAFPZBZQIVHH-FQEVSTJZSA-N 0 0 449.525 3.849 50 0 IHAARN COc1cccc2sc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 ZINC000016960777 569168262 /nfs/dbraw/zinc/16/82/62/569168262.db2.gz OEBSTGMWTHINET-LBPRGKRZSA-N 0 0 437.568 3.548 50 0 IHAARN COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Br ZINC000089938188 569168292 /nfs/dbraw/zinc/16/82/92/569168292.db2.gz OGALAIALPYYUBM-LBPRGKRZSA-N 0 0 428.327 3.931 50 0 IHAARN CC[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccccc1OC(F)F ZINC000089947926 569168479 /nfs/dbraw/zinc/16/84/79/569168479.db2.gz ZOCSILISYFBDAZ-KRWDZBQOSA-N 0 0 427.469 3.792 50 0 IHAARN CCN(CC)C(=O)C1(NC(=O)c2cc(Br)c3c(c2)OCCO3)CCCCC1 ZINC000089967588 569169040 /nfs/dbraw/zinc/16/90/40/569169040.db2.gz ZFEWPCFVRFAQPT-UHFFFAOYSA-N 0 0 439.350 3.521 50 0 IHAARN CCOC(=O)C[C@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000089983635 569169967 /nfs/dbraw/zinc/16/99/67/569169967.db2.gz PMNOSDACLXBVMK-ZFWWWQNUSA-N 0 0 429.344 3.551 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1 ZINC000017013223 569170892 /nfs/dbraw/zinc/17/08/92/569170892.db2.gz HVAPKVSHZCYIIH-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN O=C(COc1ccccc1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037355937 569171229 /nfs/dbraw/zinc/17/12/29/569171229.db2.gz HHGUYOLQABKBMZ-UHFFFAOYSA-N 0 0 442.878 3.789 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000017041265 569171506 /nfs/dbraw/zinc/17/15/06/569171506.db2.gz MEIBJEZAGKNZFL-UHFFFAOYSA-N 0 0 426.904 3.767 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C ZINC000037356212 569171864 /nfs/dbraw/zinc/17/18/64/569171864.db2.gz PXJOKMBITZSSCH-OAHLLOKOSA-N 0 0 440.450 3.907 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1cccc(F)c1 ZINC000017189977 569175694 /nfs/dbraw/zinc/17/56/94/569175694.db2.gz APBXTGUXARJYPA-UHFFFAOYSA-N 0 0 427.526 3.810 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)C(C)=Nc3nnnn32)cc1OCC ZINC000000936919 569176247 /nfs/dbraw/zinc/17/62/47/569176247.db2.gz BXZFICRMLNUWLE-NRFANRHFSA-N 0 0 435.484 3.503 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000170635550 569176407 /nfs/dbraw/zinc/17/64/07/569176407.db2.gz OEMLEGYPTDRGSL-SNVBAGLBSA-N 0 0 428.860 3.647 50 0 IHAARN Cc1cccc(CSCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000002085334 569178452 /nfs/dbraw/zinc/17/84/52/569178452.db2.gz WHGIZONOQQKYNX-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC[C@@H]1c1ccco1 ZINC000170637996 569178589 /nfs/dbraw/zinc/17/85/89/569178589.db2.gz CEOTXAKDFKQZIY-GOSISDBHSA-N 0 0 433.526 3.749 50 0 IHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)c1 ZINC000002105243 569181111 /nfs/dbraw/zinc/18/11/11/569181111.db2.gz JDAGPWOCCGESNM-DHLKQENFSA-N 0 0 441.487 3.655 50 0 biogenic IHAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)C1=O ZINC000002107450 569181328 /nfs/dbraw/zinc/18/13/28/569181328.db2.gz HGHBFGPEVDBSSW-CPJSRVTESA-N 0 0 447.535 3.670 50 0 biogenic IHAARN COc1ccc(-n2nc3nc(NC[C@@H]4CCCO4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037360479 569181478 /nfs/dbraw/zinc/18/14/78/569181478.db2.gz LBPNQWCACGSEMC-SFHVURJKSA-N 0 0 434.475 3.803 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000102942212 569181695 /nfs/dbraw/zinc/18/16/95/569181695.db2.gz IVIZFPPZXFBPMZ-LUKWVAJMSA-N 0 0 439.446 3.587 50 0 IHAARN CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O ZINC000252427622 569183282 /nfs/dbraw/zinc/18/32/82/569183282.db2.gz ADZJARQMKWNYLU-LMMKCTJWSA-N 0 0 445.258 3.576 50 0 IHAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002147471 569187013 /nfs/dbraw/zinc/18/70/13/569187013.db2.gz ZSYZYOUXIURLRZ-ZDUSSCGKSA-N 0 0 449.912 3.590 50 0 biogenic IHAARN C[C@@H]1CC[C@H](C(=O)OCc2ccc(Br)cc2COC(=O)[C@H]2CC[C@H](C)O2)O1 ZINC000252500078 569188097 /nfs/dbraw/zinc/18/80/97/569188097.db2.gz SMVFDYNPKAIUFG-JGTCGTHISA-N 0 0 441.318 3.671 50 0 IHAARN COc1cnc(N2CCO[C@@H](c3ccccc3)C2)nc1N1CCO[C@H](c2ccccc2)C1 ZINC000252511698 569188829 /nfs/dbraw/zinc/18/88/29/569188829.db2.gz JUIAFSQAENKTHE-XZOQPEGZSA-N 0 0 432.524 3.641 50 0 IHAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc3cccnc31)C2=O ZINC000170647404 569189336 /nfs/dbraw/zinc/18/93/36/569189336.db2.gz XFASOVMXYUSYLI-UUOWRZLLSA-N 0 0 438.528 3.740 50 0 IHAARN Cc1cc(I)ccc1NC(=O)CCNC(=O)OCc1ccccc1 ZINC000002188279 569190531 /nfs/dbraw/zinc/19/05/31/569190531.db2.gz NALFSRKNYSJVBZ-UHFFFAOYSA-N 0 0 438.265 3.855 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000252595999 569193166 /nfs/dbraw/zinc/19/31/66/569193166.db2.gz CFGHFDUJLFODEN-JFRNUHHOSA-N 0 0 444.556 3.772 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)C(C)C)C(C)C)c2)cc1 ZINC000037399820 569194727 /nfs/dbraw/zinc/19/47/27/569194727.db2.gz GRCGZWNRMBFQIY-UHFFFAOYSA-N 0 0 432.542 3.806 50 0 IHAARN CC(C)S(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)cc1 ZINC000037400186 569194833 /nfs/dbraw/zinc/19/48/33/569194833.db2.gz QOIYJYRWFVSASC-NRFANRHFSA-N 0 0 435.517 3.764 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](CC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403448 569194920 /nfs/dbraw/zinc/19/49/20/569194920.db2.gz CXUUBRSXRMMDEX-DNVCBOLYSA-N 0 0 427.932 3.980 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400370 569194965 /nfs/dbraw/zinc/19/49/65/569194965.db2.gz HKXUTTCOLXIZHL-UHFFFAOYSA-N 0 0 432.473 3.918 50 0 IHAARN CO[C@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000170682976 569195491 /nfs/dbraw/zinc/19/54/91/569195491.db2.gz UJWSFBBTPCUMGX-FXAWDEMLSA-N 0 0 442.466 3.898 50 0 IHAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2ccc(F)cc2)SCC1=O ZINC000037424441 569195543 /nfs/dbraw/zinc/19/55/43/569195543.db2.gz ARLXUJJJQBBTMK-IBGZPJMESA-N 0 0 432.565 3.552 50 0 IHAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1ccc(F)cc1F ZINC000037524890 569198809 /nfs/dbraw/zinc/19/88/09/569198809.db2.gz QAUFVEXSMZYSOZ-UHFFFAOYSA-N 0 0 427.495 3.990 50 0 IHAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCc2cccs2)CC1 ZINC000037526362 569199085 /nfs/dbraw/zinc/19/90/85/569199085.db2.gz UKTAGLHOOOFGMX-UHFFFAOYSA-N 0 0 428.602 3.787 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NN1CCOCC1 ZINC000037547076 569199920 /nfs/dbraw/zinc/19/99/20/569199920.db2.gz PQVOXFRPXPKEJD-UHFFFAOYSA-N 0 0 438.503 3.717 50 0 IHAARN COc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1 ZINC000037557997 569200752 /nfs/dbraw/zinc/20/07/52/569200752.db2.gz IAFMSTGWPPFETL-UHFFFAOYSA-N 0 0 436.487 3.591 50 0 IHAARN COc1ccccc1Oc1cc(N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)ncn1 ZINC000037623479 569203294 /nfs/dbraw/zinc/20/32/94/569203294.db2.gz ZATGESHOFRPGQF-LJQANCHMSA-N 0 0 448.523 3.531 50 0 IHAARN CC(C)(NC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000066089157 569205644 /nfs/dbraw/zinc/20/56/44/569205644.db2.gz BNYGCYQTEBLMLZ-UHFFFAOYSA-N 0 0 442.310 3.820 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000002686949 569211309 /nfs/dbraw/zinc/21/13/09/569211309.db2.gz LQZJSPBSJWAJOI-NRFANRHFSA-N 0 0 446.482 3.929 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000007906399 569211312 /nfs/dbraw/zinc/21/13/12/569211312.db2.gz KLQYEZZSFXVNOO-QGZVFWFLSA-N 0 0 427.570 3.873 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(OC(C)C)cc1)CS(=O)(=O)C2 ZINC000003008476 569212987 /nfs/dbraw/zinc/21/29/87/569212987.db2.gz MTRCJTDBZRKVKK-UHFFFAOYSA-N 0 0 425.510 3.649 50 0 IHAARN COCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002239639 569213031 /nfs/dbraw/zinc/21/30/31/569213031.db2.gz GXAHLGYLZAFSDD-UHFFFAOYSA-N 0 0 430.386 3.978 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)c(C)c1 ZINC000003009689 569213063 /nfs/dbraw/zinc/21/30/63/569213063.db2.gz GJMYWCMCRJGGRA-UHFFFAOYSA-N 0 0 433.892 3.962 50 0 IHAARN COc1ccc([C@H](CC(=O)N[C@H]2CCCC[C@H]2C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000039582234 569257772 /nfs/dbraw/zinc/25/77/72/569257772.db2.gz KKONREIPCXSWSA-XGRCMKMKSA-N 0 0 448.560 3.939 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H]1C(=O)Nc2c1ccc(Cl)c2Cl ZINC000253395270 569264596 /nfs/dbraw/zinc/26/45/96/569264596.db2.gz RVANFVFOQJVRHU-MRXNPFEDSA-N 0 0 427.671 3.770 50 0 IHAARN Cn1ccc2cccc(NC(=O)CCNS(=O)(=O)c3ccccc3C(F)(F)F)c21 ZINC000253419633 569266785 /nfs/dbraw/zinc/26/67/85/569266785.db2.gz AISZIFCNUNMGPR-UHFFFAOYSA-N 0 0 425.432 3.504 50 0 IHAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1 ZINC000253425340 569267215 /nfs/dbraw/zinc/26/72/15/569267215.db2.gz CRAWHPXRTKHGBQ-UHFFFAOYSA-N 0 0 436.533 3.842 50 0 IHAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000002296270 569268236 /nfs/dbraw/zinc/26/82/36/569268236.db2.gz CJIWPWJAFVMYAN-LBPRGKRZSA-N 0 0 440.550 3.800 50 0 IHAARN Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc21 ZINC000002299450 569269146 /nfs/dbraw/zinc/26/91/46/569269146.db2.gz WXCSUWYEXFZGAU-UHFFFAOYSA-N 0 0 448.548 3.928 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Br)c2)c(OC)c1 ZINC000027551355 569271963 /nfs/dbraw/zinc/27/19/63/569271963.db2.gz YNDYNEXYIVAJFS-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cc2c(cc1Br)oc(C)c2C(=O)OCCOC ZINC000002320590 569274075 /nfs/dbraw/zinc/27/40/75/569274075.db2.gz HOVDCIDXYXMONQ-NSHDSACASA-N 0 0 429.263 3.637 50 0 IHAARN CCCSc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)C[C@](C)(CC)OC3 ZINC000002351926 569282804 /nfs/dbraw/zinc/28/28/04/569282804.db2.gz XWWPOOKXMIJTSS-SFHVURJKSA-N 0 0 437.616 3.660 50 0 IHAARN Cc1cn(C[C@@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000253496494 569283184 /nfs/dbraw/zinc/28/31/84/569283184.db2.gz HASJNHZUZNABTN-XMMPIXPASA-N 0 0 442.515 3.627 50 0 IHAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCNC(=O)Cc1ccccc1 ZINC000027641939 569286066 /nfs/dbraw/zinc/28/60/66/569286066.db2.gz VIGXNWOKGJJBQN-UHFFFAOYSA-N 0 0 431.540 3.667 50 0 IHAARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000252489760 569288002 /nfs/dbraw/zinc/28/80/02/569288002.db2.gz JZLAYPYOXBEPPF-PMACEKPBSA-N 0 0 435.455 3.776 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002377510 569289517 /nfs/dbraw/zinc/28/95/17/569289517.db2.gz HMZLCJODXXJYBF-LAUBAEHRSA-N 0 0 433.460 3.612 50 0 IHAARN COc1ccc(/C=C2\N=C(S[C@H](C)C(N)=O)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000008923973 569292483 /nfs/dbraw/zinc/29/24/83/569292483.db2.gz HBHIYLOOTQDLOD-HJPCULJESA-N 0 0 445.928 3.708 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009631784 569297421 /nfs/dbraw/zinc/29/74/21/569297421.db2.gz QEPBACZETOUTHL-ACCUITESSA-N 0 0 428.554 3.508 50 0 IHAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000009633881 569297495 /nfs/dbraw/zinc/29/74/95/569297495.db2.gz PZKXJJWHZLTUGJ-MTJSOVHGSA-N 0 0 449.532 3.853 50 0 IHAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)c(C)c1C ZINC000027771108 569297979 /nfs/dbraw/zinc/29/79/79/569297979.db2.gz TXAYMEQADSGPAD-LJQANCHMSA-N 0 0 434.606 3.803 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@@H]32)cc1 ZINC000002405000 569299991 /nfs/dbraw/zinc/29/99/91/569299991.db2.gz IFOYPCNDWLAKSH-DJJJIMSYSA-N 0 0 440.546 3.803 50 0 IHAARN O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002407053 569300275 /nfs/dbraw/zinc/30/02/75/569300275.db2.gz YPYGXEZQTLACRU-IRXDYDNUSA-N 0 0 425.851 3.870 50 0 IHAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12 ZINC000002411569 569300967 /nfs/dbraw/zinc/30/09/67/569300967.db2.gz BTHJNAWGIRAKBS-UHFFFAOYSA-N 0 0 434.521 3.895 50 0 IHAARN COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(C)cc4)nc3C2)cc(OC)c1OC ZINC000002423981 569302389 /nfs/dbraw/zinc/30/23/89/569302389.db2.gz APPLCVZKONVAFE-MRXNPFEDSA-N 0 0 447.491 3.976 50 0 IHAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)n1 ZINC000013010140 569306740 /nfs/dbraw/zinc/30/67/40/569306740.db2.gz SEXHKGXQPDDNAV-UHFFFAOYSA-N 0 0 438.488 3.963 50 0 IHAARN COc1ccc(S(=O)(=O)CCC(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 ZINC000013036559 569307495 /nfs/dbraw/zinc/30/74/95/569307495.db2.gz MJLZBLZNFQKJLI-GHVJWSGMSA-N 0 0 440.546 3.693 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000013097085 569309623 /nfs/dbraw/zinc/30/96/23/569309623.db2.gz MIFMNKAIWHBPKQ-IFXJQAMLSA-N 0 0 437.323 3.704 50 0 IHAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000013097575 569309809 /nfs/dbraw/zinc/30/98/09/569309809.db2.gz SBFZLCUVWGMWTI-UHFFFAOYSA-N 0 0 428.488 3.965 50 0 IHAARN COc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013098943 569310020 /nfs/dbraw/zinc/31/00/20/569310020.db2.gz SLQHWJXTRAKDMR-UHFFFAOYSA-N 0 0 433.526 3.626 50 0 IHAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C ZINC000013138188 569311592 /nfs/dbraw/zinc/31/15/92/569311592.db2.gz RVLRAAOTKCFQBD-RKVPGOIHSA-N 0 0 431.562 3.559 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013149522 569312293 /nfs/dbraw/zinc/31/22/93/569312293.db2.gz GTROAJIZEAIHOU-AWEZNQCLSA-N 0 0 447.413 3.687 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O ZINC000013165188 569312502 /nfs/dbraw/zinc/31/25/02/569312502.db2.gz LAFMZWMMAVORGX-BKMJKUGQSA-N 0 0 433.552 3.890 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000013347023 569313096 /nfs/dbraw/zinc/31/30/96/569313096.db2.gz ZAWKMJXMDFUYDC-MRXNPFEDSA-N 0 0 441.915 3.677 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccco4)CCC3)cc2)c1 ZINC000013351035 569313240 /nfs/dbraw/zinc/31/32/40/569313240.db2.gz PZOPKXLFIVPAPQ-UHFFFAOYSA-N 0 0 440.521 3.827 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CSC[C@@H]1C(=O)NCc1csc(-c2cccs2)n1 ZINC000013354858 569313468 /nfs/dbraw/zinc/31/34/68/569313468.db2.gz LWXBIOVBMWTDEH-MRXNPFEDSA-N 0 0 447.582 3.771 50 0 IHAARN O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCC2(CC1)OCCO2 ZINC000013360295 569314010 /nfs/dbraw/zinc/31/40/10/569314010.db2.gz OHWVYANZOPWHJT-UHFFFAOYSA-N 0 0 435.446 3.749 50 0 biogenic IHAARN CCOc1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccc(OC)cc2)CC3=O)c1 ZINC000013363387 569314089 /nfs/dbraw/zinc/31/40/89/569314089.db2.gz KIXHPJOSTCTEEK-INIZCTEOSA-N 0 0 432.476 3.947 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N(CC)c3ccccc3)cc2C[C@@H]1C ZINC000013365828 569314267 /nfs/dbraw/zinc/31/42/67/569314267.db2.gz UATCCCXTODLWKB-KRWDZBQOSA-N 0 0 428.554 3.591 50 0 IHAARN CCc1nn2c(nc(COc3ccc(NC(=O)c4ccc(OC)cc4)cc3)cc2=O)s1 ZINC000013368162 569314646 /nfs/dbraw/zinc/31/46/46/569314646.db2.gz VQEXDDJHOPOXHS-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN COC(=O)[C@]1(N(Cc2ccccc2)C(=O)Cc2nc(-c3ccsc3)oc2C)CCOC1 ZINC000328589930 569316856 /nfs/dbraw/zinc/31/68/56/569316856.db2.gz SZKXZVAESVQHDR-QHCPKHFHSA-N 0 0 440.521 3.615 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000328592893 569317332 /nfs/dbraw/zinc/31/73/32/569317332.db2.gz FEDHSCWQCBKDEV-WWGRRREGSA-N 0 0 432.546 3.789 50 0 IHAARN CC1(C)CCN(C(=O)Cn2cnc3sccc3c2=O)c2cc(Br)ccc21 ZINC000328594720 569317723 /nfs/dbraw/zinc/31/77/23/569317723.db2.gz AGFDWOOGDZIOLN-UHFFFAOYSA-N 0 0 432.343 3.935 50 0 IHAARN CCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@H]1C ZINC000078806575 569319218 /nfs/dbraw/zinc/31/92/18/569319218.db2.gz UWOJLEBKPKSBKO-GOSISDBHSA-N 0 0 426.561 3.580 50 0 IHAARN Cc1cc(C(=O)CN2CCCN(c3nc(C)ns3)CC2)c(C)n1CCc1ccccc1 ZINC000078950457 569320475 /nfs/dbraw/zinc/32/04/75/569320475.db2.gz OUVULTDRXGJPDX-UHFFFAOYSA-N 0 0 437.613 3.903 50 0 IHAARN Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)C(F)(F)F ZINC000078968512 569320845 /nfs/dbraw/zinc/32/08/45/569320845.db2.gz DMBUOKKGQRBEHD-XHDPSFHLSA-N 0 0 434.256 3.987 50 0 IHAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000078969796 569320983 /nfs/dbraw/zinc/32/09/83/569320983.db2.gz QFBODVHEBPEOMQ-CABCVRRESA-N 0 0 426.888 3.585 50 0 IHAARN CN(C)Cc1nc(C2(NC(=O)CCc3cnn(-c4ccccc4)c3)CCCCCC2)no1 ZINC000078975599 569321143 /nfs/dbraw/zinc/32/11/43/569321143.db2.gz QUIIIBMOKMTTRZ-UHFFFAOYSA-N 0 0 436.560 3.615 50 0 IHAARN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000079000384 569321867 /nfs/dbraw/zinc/32/18/67/569321867.db2.gz IANDTTUWSAUYHE-QGZVFWFLSA-N 0 0 446.429 3.538 50 0 IHAARN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3sccc3OC(F)F)CC2)cs1 ZINC000079054012 569323460 /nfs/dbraw/zinc/32/34/60/569323460.db2.gz DWKGXHAIGKZAHF-GFCCVEGCSA-N 0 0 431.530 3.862 50 0 IHAARN COC(=O)c1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(Br)c1 ZINC000079067450 569324404 /nfs/dbraw/zinc/32/44/04/569324404.db2.gz BUQWNJHOYMZJHI-INIZCTEOSA-N 0 0 448.317 3.844 50 0 IHAARN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000079070698 569324587 /nfs/dbraw/zinc/32/45/87/569324587.db2.gz MWLGESVBQKRABX-NRFANRHFSA-N 0 0 426.582 3.596 50 0 IHAARN COc1cc2c(cc1OC)CN(Cc1cccnc1S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000079476434 569330714 /nfs/dbraw/zinc/33/07/14/569330714.db2.gz MRHCPLJLFSKGBB-UHFFFAOYSA-N 0 0 438.549 3.798 50 0 IHAARN CCCCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000079493973 569331415 /nfs/dbraw/zinc/33/14/15/569331415.db2.gz LHIKAKHRULWTDI-QFIPXVFZSA-N 0 0 430.589 3.898 50 0 IHAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020108276 569334389 /nfs/dbraw/zinc/33/43/89/569334389.db2.gz USPHTITUESVSAY-XOOBZCTMSA-N 0 0 444.443 3.653 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1C)c1ccc(C)cc1 ZINC000020239787 569357618 /nfs/dbraw/zinc/35/76/18/569357618.db2.gz OWNWTHNOSNLXNH-UHFFFAOYSA-N 0 0 440.569 3.796 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241704 569358035 /nfs/dbraw/zinc/35/80/35/569358035.db2.gz WMYQBZUFFBUDPA-QLCIJSRNSA-N 0 0 442.537 3.793 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)cc(C)c3)c(C)o2)c1 ZINC000020241963 569358188 /nfs/dbraw/zinc/35/81/88/569358188.db2.gz VIJKFBCHSRVZDM-UHFFFAOYSA-N 0 0 428.510 3.829 50 0 IHAARN CCOc1cc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc(OCC)c1OCC ZINC000020330864 569360894 /nfs/dbraw/zinc/36/08/94/569360894.db2.gz DQHRIUCJNHLCBL-UHFFFAOYSA-N 0 0 431.514 3.565 50 0 IHAARN O=C1CCCN1Cc1nnc(SCCSc2ccc(F)cc2)n1-c1ccccn1 ZINC000095360801 569362286 /nfs/dbraw/zinc/36/22/86/569362286.db2.gz NOUYBTBUACKZOD-UHFFFAOYSA-N 0 0 429.546 3.808 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000080350444 569363236 /nfs/dbraw/zinc/36/32/36/569363236.db2.gz FMJOFQACCQWQII-MRXNPFEDSA-N 0 0 433.508 3.952 50 0 IHAARN Nc1nc(Cl)cc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 ZINC000095394837 569363548 /nfs/dbraw/zinc/36/35/48/569363548.db2.gz QQBMBALOEJTTDA-GFCCVEGCSA-N 0 0 435.713 3.790 50 0 IHAARN CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000095402899 569364166 /nfs/dbraw/zinc/36/41/66/569364166.db2.gz NWCMKTQICADCNT-MRXNPFEDSA-N 0 0 431.963 3.815 50 0 IHAARN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000095402898 569364185 /nfs/dbraw/zinc/36/41/85/569364185.db2.gz NWCMKTQICADCNT-INIZCTEOSA-N 0 0 431.963 3.815 50 0 IHAARN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000095405965 569364545 /nfs/dbraw/zinc/36/45/45/569364545.db2.gz CAMRDASJHDZVLL-OAHLLOKOSA-N 0 0 439.434 3.635 50 0 IHAARN CC(C)(C)c1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O ZINC000095430252 569366153 /nfs/dbraw/zinc/36/61/53/569366153.db2.gz WHHRZJIFZDRWAK-QHCPKHFHSA-N 0 0 425.916 3.970 50 0 IHAARN Cc1nc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)ccc1[C@H](C)O ZINC000095456476 569368815 /nfs/dbraw/zinc/36/88/15/569368815.db2.gz PPJMDNRUWFSHDS-AWEZNQCLSA-N 0 0 437.500 3.822 50 0 IHAARN CN(C)C(=O)c1cccc(NC(=O)CN2CCCCc3cc(Br)ccc32)c1 ZINC000095458271 569369256 /nfs/dbraw/zinc/36/92/56/569369256.db2.gz LSBDAXJJPAWZNA-UHFFFAOYSA-N 0 0 430.346 3.932 50 0 IHAARN CC(C)[C@@H](O)C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000095463273 569370337 /nfs/dbraw/zinc/37/03/37/569370337.db2.gz OZLLYWAZUMVJOK-CRAIPNDOSA-N 0 0 427.372 3.759 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cncc(F)c1 ZINC000095465094 569370665 /nfs/dbraw/zinc/37/06/65/569370665.db2.gz YGCHCVWKWZXDQK-AWEZNQCLSA-N 0 0 439.940 3.930 50 0 IHAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](n2nccc2C(F)(F)F)C1 ZINC000095466069 569370780 /nfs/dbraw/zinc/37/07/80/569370780.db2.gz NQGLUIPOBSIQLU-NSHDSACASA-N 0 0 443.369 3.826 50 0 IHAARN COCc1nnc(NC(=O)c2cn(-c3cc(F)c(F)c(F)c3)c(=O)c3ccccc23)s1 ZINC000095472444 569372208 /nfs/dbraw/zinc/37/22/08/569372208.db2.gz UWUYDGVMYPIKKU-UHFFFAOYSA-N 0 0 446.410 3.658 50 0 IHAARN O=C(NCCn1ccc2ccc(F)cc21)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095474763 569372606 /nfs/dbraw/zinc/37/26/06/569372606.db2.gz GSGXGGYKFFOEOM-UHFFFAOYSA-N 0 0 449.935 3.794 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccccn1 ZINC000095477078 569373250 /nfs/dbraw/zinc/37/32/50/569373250.db2.gz AQZLAVVPLPTEFY-UHFFFAOYSA-N 0 0 438.329 3.558 50 0 IHAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1O ZINC000095478115 569373324 /nfs/dbraw/zinc/37/33/24/569373324.db2.gz FPCAZYBHXYQYPD-GOSISDBHSA-N 0 0 427.478 3.736 50 0 IHAARN O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCN(c2nccs2)CC1 ZINC000095966813 569377332 /nfs/dbraw/zinc/37/73/32/569377332.db2.gz ONMPWRIFHRIUTM-UHFFFAOYSA-N 0 0 432.908 3.548 50 0 IHAARN COCc1ccc(C(=O)N(C[C@@H]2CCCN(C(=O)c3ccc(COC)o3)C2)C(C)C)o1 ZINC000095979880 569377814 /nfs/dbraw/zinc/37/78/14/569377814.db2.gz BUHCYXVERFZTOZ-QGZVFWFLSA-N 0 0 432.517 3.568 50 0 IHAARN CC(C)c1noc(CCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000095988879 569378142 /nfs/dbraw/zinc/37/81/42/569378142.db2.gz VSDPUOHJGSPKHG-IFXJQAMLSA-N 0 0 436.915 3.642 50 0 IHAARN COc1cc2ccncc2cc1OCC(=O)Nc1cccc(I)c1 ZINC000095997144 569378879 /nfs/dbraw/zinc/37/88/79/569378879.db2.gz XPLRGSLKMAPNFW-UHFFFAOYSA-N 0 0 434.233 3.866 50 0 IHAARN Cn1nc(C(F)(F)F)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1Cl ZINC000096006926 569379480 /nfs/dbraw/zinc/37/94/80/569379480.db2.gz CVBWIZGQYJPDAB-UHFFFAOYSA-N 0 0 426.830 3.917 50 0 IHAARN Cc1cc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000096006684 569379512 /nfs/dbraw/zinc/37/95/12/569379512.db2.gz RHPGQTWHJLMSCF-GFCCVEGCSA-N 0 0 439.324 3.658 50 0 IHAARN O=C(CN1c2ccccc2CCCC1=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000096008124 569379673 /nfs/dbraw/zinc/37/96/73/569379673.db2.gz YEUWYAUYCQQFLP-FQEVSTJZSA-N 0 0 432.442 3.975 50 0 IHAARN COc1cccc(-c2cc(C(=O)N3CCc4nc(NC(=O)c5ccoc5)sc4C3)[nH]n2)c1 ZINC000096024329 569380462 /nfs/dbraw/zinc/38/04/62/569380462.db2.gz PYXIERGCPBULRZ-UHFFFAOYSA-N 0 0 449.492 3.586 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@@H](C)C(=O)NCc2ccncc2)c1 ZINC000096096063 569381030 /nfs/dbraw/zinc/38/10/30/569381030.db2.gz DJDGGLLQQSZVHG-IYEWYVLISA-N 0 0 446.532 3.725 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099889 569381809 /nfs/dbraw/zinc/38/18/09/569381809.db2.gz IDGFBVUFXHUADD-UHFFFAOYSA-N 0 0 435.372 3.992 50 0 IHAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@H](S(=O)(=O)C(C)(C)C)C3)cc2)c1 ZINC000096103452 569382047 /nfs/dbraw/zinc/38/20/47/569382047.db2.gz FHMZIIFZHPXCSI-FQEVSTJZSA-N 0 0 437.583 3.764 50 0 IHAARN O=C(CCc1ccccc1Br)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104427 569382276 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CCCN1c2ccc(NC(=O)c3ccco3)cc2S(=O)(=O)N=C1c1ccc(OC)cc1 ZINC000096293428 569391542 /nfs/dbraw/zinc/39/15/42/569391542.db2.gz PKWCBWSZQYWXNG-UHFFFAOYSA-N 0 0 439.493 3.906 50 0 IHAARN Cc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)c1 ZINC000096318114 569393787 /nfs/dbraw/zinc/39/37/87/569393787.db2.gz JOAJBNMIRNNDQJ-IBGZPJMESA-N 0 0 427.504 3.647 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1Cl)c(=O)n2CC(=O)N[C@H](C)c1ccccc1 ZINC000096318274 569393844 /nfs/dbraw/zinc/39/38/44/569393844.db2.gz HUAXIRLXZHUKGJ-QGZVFWFLSA-N 0 0 447.922 3.992 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2[C@@H](C)C(=O)NCc1ccco1 ZINC000096318332 569393891 /nfs/dbraw/zinc/39/38/91/569393891.db2.gz HHIGZEZPTXOVJX-SFHVURJKSA-N 0 0 431.492 3.548 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)c1 ZINC000096322549 569394702 /nfs/dbraw/zinc/39/47/02/569394702.db2.gz IURHGDTVZISZDC-UHFFFAOYSA-N 0 0 440.507 3.881 50 0 IHAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4OC)no3)o2)cc1 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O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097077906 569403029 /nfs/dbraw/zinc/40/30/29/569403029.db2.gz QTKGXEDRWDUOEJ-MRXNPFEDSA-N 0 0 428.901 3.980 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1cccc(F)c1 ZINC000002459493 569403460 /nfs/dbraw/zinc/40/34/60/569403460.db2.gz BNRGPMMWDPGNBT-UHFFFAOYSA-N 0 0 431.489 3.890 50 0 IHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000002494146 569405657 /nfs/dbraw/zinc/40/56/57/569405657.db2.gz FNCMJEIBUWTVAM-UHFFFAOYSA-N 0 0 446.504 3.939 50 0 IHAARN Cc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c1C ZINC000027993153 569405664 /nfs/dbraw/zinc/40/56/64/569405664.db2.gz DDCIXNFPPDLZIR-FQEVSTJZSA-N 0 0 448.592 3.972 50 0 IHAARN CC[C@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)C(=O)OC ZINC000002496940 569405703 /nfs/dbraw/zinc/40/57/03/569405703.db2.gz VAHBUGFKRYBKNO-ZDUSSCGKSA-N 0 0 441.372 3.687 50 0 IHAARN O=C(c1ccc(Oc2nccs2)cc1)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225628379 569405977 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ZINC000002638124 569413227 /nfs/dbraw/zinc/41/32/27/569413227.db2.gz FZOQYXCHMHVWGW-CQSZACIVSA-N 0 0 447.520 3.650 50 0 IHAARN CCOC(=O)CCCNC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000002640974 569413652 /nfs/dbraw/zinc/41/36/52/569413652.db2.gz ULXKBUSSVMBIIJ-UHFFFAOYSA-N 0 0 433.917 3.850 50 0 IHAARN CCCn1nc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2c1=O ZINC000002640691 569413660 /nfs/dbraw/zinc/41/36/60/569413660.db2.gz VNDHKUAJTCYCJS-UHFFFAOYSA-N 0 0 434.279 3.909 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)n1 ZINC000002644020 569413902 /nfs/dbraw/zinc/41/39/02/569413902.db2.gz MROVHSTURQRNCR-UHFFFAOYSA-N 0 0 442.584 3.835 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(-c2ccccc2)n1 ZINC000002661892 569416113 /nfs/dbraw/zinc/41/61/13/569416113.db2.gz KZFPHKZQVCYHEZ-UHFFFAOYSA-N 0 0 433.541 3.876 50 0 IHAARN CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)OC)cc1 ZINC000002706352 569417616 /nfs/dbraw/zinc/41/76/16/569417616.db2.gz ZSLDASBKXPLKOR-UHFFFAOYSA-N 0 0 445.570 3.630 50 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ZINC000002805055 569422607 /nfs/dbraw/zinc/42/26/07/569422607.db2.gz XCZIQBNCRDMBON-UHFFFAOYSA-N 0 0 440.511 3.832 50 0 IHAARN CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002909179 569424718 /nfs/dbraw/zinc/42/47/18/569424718.db2.gz DAHYUKLEAQGMTN-UHFFFAOYSA-N 0 0 445.566 3.586 50 0 IHAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3ccc(OC)c(OC)c3)c2c1C ZINC000002912223 569424960 /nfs/dbraw/zinc/42/49/60/569424960.db2.gz FTULNWQKVDWYQL-UHFFFAOYSA-N 0 0 445.497 3.653 50 0 IHAARN COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nnnn32)c(OC)c1OC ZINC000002914203 569424996 /nfs/dbraw/zinc/42/49/96/569424996.db2.gz GZANDVFPJJTNDC-LSDHHAIUSA-N 0 0 446.305 3.608 50 0 IHAARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002921734 569425426 /nfs/dbraw/zinc/42/54/26/569425426.db2.gz FMTKWEAMGROZQA-UHFFFAOYSA-N 0 0 437.452 3.935 50 0 IHAARN COc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000002925258 569425647 /nfs/dbraw/zinc/42/56/47/569425647.db2.gz UQAUMGXYCJCFBR-UHFFFAOYSA-N 0 0 430.536 3.643 50 0 IHAARN CCOc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc(OCC)c1OCC ZINC000029084736 569426125 /nfs/dbraw/zinc/42/61/25/569426125.db2.gz VIVJBAKJHXPJQZ-NRFANRHFSA-N 0 0 442.556 3.686 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 ZINC000002937319 569426285 /nfs/dbraw/zinc/42/62/85/569426285.db2.gz JDQFWJNQRVBACR-OAQYLSRUSA-N 0 0 446.459 3.537 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](CC(=O)NCCC2=CCCCC2)c2ccco2)cc1 ZINC000002938537 569426483 /nfs/dbraw/zinc/42/64/83/569426483.db2.gz ATOHPPOFSKRIEI-HXUWFJFHSA-N 0 0 432.542 3.705 50 0 IHAARN COCCNc1nc(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc21 ZINC000002948621 569427106 /nfs/dbraw/zinc/42/71/06/569427106.db2.gz VZAHEKXYJYKGKA-UHFFFAOYSA-N 0 0 427.917 3.642 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000057054107 569429392 /nfs/dbraw/zinc/42/93/92/569429392.db2.gz ORYGXCSBPGCFBA-MRXNPFEDSA-N 0 0 438.503 3.551 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000029357273 569429961 /nfs/dbraw/zinc/42/99/61/569429961.db2.gz JQYQTNQHMQDXGA-UHFFFAOYSA-N 0 0 432.527 3.766 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(O)cc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000057303517 569430588 /nfs/dbraw/zinc/43/05/88/569430588.db2.gz LCGZROCPIZRCPD-XMMPIXPASA-N 0 0 444.535 3.794 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@H](C)O1 ZINC000227003282 569431017 /nfs/dbraw/zinc/43/10/17/569431017.db2.gz SJYOMKDOCATNDX-RBZYPMLTSA-N 0 0 433.382 3.753 50 0 IHAARN C[C@H](NC(=O)Cn1c2ccccc2nc1S(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000029591804 569431461 /nfs/dbraw/zinc/43/14/61/569431461.db2.gz NHDPADXWYMXWPZ-NSHDSACASA-N 0 0 426.325 3.624 50 0 IHAARN CCCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3sc2c1=O ZINC000002962062 569432766 /nfs/dbraw/zinc/43/27/66/569432766.db2.gz DXOSSJNWUIHCOR-CQSZACIVSA-N 0 0 431.583 3.799 50 0 IHAARN CCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057389614 569432949 /nfs/dbraw/zinc/43/29/49/569432949.db2.gz 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ZINC000057476811 569435787 /nfs/dbraw/zinc/43/57/87/569435787.db2.gz YMOMKOMJTMDLSB-UHFFFAOYSA-N 0 0 425.510 3.714 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1C ZINC000057486116 569436397 /nfs/dbraw/zinc/43/63/97/569436397.db2.gz TVGAMWXAHHKQCX-UHFFFAOYSA-N 0 0 439.581 3.681 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000057490761 569437252 /nfs/dbraw/zinc/43/72/52/569437252.db2.gz XKGWQPVFENYNPZ-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000057492056 569437419 /nfs/dbraw/zinc/43/74/19/569437419.db2.gz NEHTXUIGJIYNFY-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000057492565 569437440 /nfs/dbraw/zinc/43/74/40/569437440.db2.gz AQVLTAJAUDERNK-UHFFFAOYSA-N 0 0 447.560 3.879 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 ZINC000057492676 569437471 /nfs/dbraw/zinc/43/74/71/569437471.db2.gz 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CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4)c3N)c(C)o2)cc1 ZINC000057511782 569438631 /nfs/dbraw/zinc/43/86/31/569438631.db2.gz OZSNUTIPNIRJQN-UHFFFAOYSA-N 0 0 432.484 3.831 50 0 IHAARN CCCCN(C(=O)CSc1nccn1-c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000029902768 569438638 /nfs/dbraw/zinc/43/86/38/569438638.db2.gz JCZUXAGKLFSUIL-FQEVSTJZSA-N 0 0 449.642 3.904 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c(C)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057527942 569439216 /nfs/dbraw/zinc/43/92/16/569439216.db2.gz ZZWLAXYKBOZDQZ-UHFFFAOYSA-N 0 0 439.899 3.996 50 0 IHAARN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000230142802 569439511 /nfs/dbraw/zinc/43/95/11/569439511.db2.gz APHNVLSREYDQGY-PBFPGSCMSA-N 0 0 427.530 3.816 50 0 IHAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2)n1 ZINC000057587891 569439965 /nfs/dbraw/zinc/43/99/65/569439965.db2.gz DQGFMAASMLQCRU-NRFANRHFSA-N 0 0 438.459 3.794 50 0 IHAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(C(=O)C2CC2)CC1 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3.826 50 0 IHAARN COC(=O)c1ccc(CNC(=O)CSc2nnc(Nc3ccccc3C)s2)cc1 ZINC000003273273 569443623 /nfs/dbraw/zinc/44/36/23/569443623.db2.gz RBJJTEZLFOMSLJ-UHFFFAOYSA-N 0 0 428.539 3.785 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(SC(F)F)cc1 ZINC000003279405 569443783 /nfs/dbraw/zinc/44/37/83/569443783.db2.gz VZEUFAGTPSEUIG-KRWDZBQOSA-N 0 0 444.463 3.584 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000003282067 569443881 /nfs/dbraw/zinc/44/38/81/569443881.db2.gz YZYLLKBGGBZBLN-UHFFFAOYSA-N 0 0 436.533 3.935 50 0 IHAARN CCOC(=O)c1sc2[nH]c(COC(=O)c3cc4c(s3)CCCC4)nc(=O)c2c1C ZINC000003288611 569444156 /nfs/dbraw/zinc/44/41/56/569444156.db2.gz MIJNYXBWNXFZNH-UHFFFAOYSA-N 0 0 432.523 3.767 50 0 IHAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030619929 569445175 /nfs/dbraw/zinc/44/51/75/569445175.db2.gz YHXBCWFGLPUZCR-NRFANRHFSA-N 0 0 429.948 3.940 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)NCCN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000058021435 569445396 /nfs/dbraw/zinc/44/53/96/569445396.db2.gz CDLMADRQZOEKKH-UHFFFAOYSA-N 0 0 440.613 3.589 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCCC[C@H]2C)c1 ZINC000003311933 569445511 /nfs/dbraw/zinc/44/55/11/569445511.db2.gz VQRXZGSODLPZEP-GOSISDBHSA-N 0 0 445.537 3.629 50 0 IHAARN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000003313678 569445617 /nfs/dbraw/zinc/44/56/17/569445617.db2.gz WQOQHBCLOLIZSC-KSSFIOAISA-N 0 0 428.476 3.715 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)COc1cccc(Br)c1 ZINC000003316380 569445746 /nfs/dbraw/zinc/44/57/46/569445746.db2.gz QAETVBGCRWWRPW-UHFFFAOYSA-N 0 0 428.666 3.672 50 0 IHAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)NC(=O)c2cccn2C)cc1 ZINC000003323841 569446093 /nfs/dbraw/zinc/44/60/93/569446093.db2.gz MFLJPLTZMZTLNA-UHFFFAOYSA-N 0 0 434.521 3.811 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(C)cc1 ZINC000003369147 569448266 /nfs/dbraw/zinc/44/82/66/569448266.db2.gz IAQHXJJVBIWRDK-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN CC(C)OCCCn1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc2c1=O ZINC000003370622 569448446 /nfs/dbraw/zinc/44/84/46/569448446.db2.gz ZWZQMNMIKBCKOJ-UHFFFAOYSA-N 0 0 442.566 3.573 50 0 IHAARN COC[C@H](C)n1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O ZINC000003371724 569448502 /nfs/dbraw/zinc/44/85/02/569448502.db2.gz AXLXTGGGCYBZNP-HNNXBMFYSA-N 0 0 427.526 3.652 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003372339 569448522 /nfs/dbraw/zinc/44/85/22/569448522.db2.gz TVWVPXFLAPGFFL-CQSZACIVSA-N 0 0 449.488 3.886 50 0 IHAARN O=C(CN(c1cccc2cccnc21)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000003377522 569448641 /nfs/dbraw/zinc/44/86/41/569448641.db2.gz ODEBIUVMTFVOFX-UHFFFAOYSA-N 0 0 449.507 3.886 50 0 IHAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003378881 569448707 /nfs/dbraw/zinc/44/87/07/569448707.db2.gz CUVDRIBIIGBZCB-UHFFFAOYSA-N 0 0 429.505 3.593 50 0 IHAARN O=C(COc1ccccc1C(F)(F)F)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000058157769 569449021 /nfs/dbraw/zinc/44/90/21/569449021.db2.gz IORJYGPBVAQNAW-UHFFFAOYSA-N 0 0 438.471 3.841 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000003390105 569449149 /nfs/dbraw/zinc/44/91/49/569449149.db2.gz CLRCROQZWIABPM-UHFFFAOYSA-N 0 0 447.944 3.501 50 0 IHAARN O=C(CSc1nnc2sc3ccccc3n12)NC(=O)c1ccc(OC(F)F)cc1 ZINC000003393285 569449379 /nfs/dbraw/zinc/44/93/79/569449379.db2.gz SLVSALZHQYHYMX-UHFFFAOYSA-N 0 0 434.449 3.594 50 0 IHAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000504736090 569449597 /nfs/dbraw/zinc/44/95/97/569449597.db2.gz QGXFHCQDCFOODI-VDABOFBKSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000003403478 569449810 /nfs/dbraw/zinc/44/98/10/569449810.db2.gz MBWYCTGKBRNFJE-CYBMUJFWSA-N 0 0 447.944 3.997 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003416767 569450262 /nfs/dbraw/zinc/45/02/62/569450262.db2.gz WQVNLGNNMHEZKH-INIZCTEOSA-N 0 0 440.521 3.689 50 0 IHAARN COc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000003418395 569450323 /nfs/dbraw/zinc/45/03/23/569450323.db2.gz UUTUZYYWGDENPR-LIRRHRJNSA-N 0 0 430.501 3.731 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000217632492 569450636 /nfs/dbraw/zinc/45/06/36/569450636.db2.gz XIIQZNFWZBYISS-MRXNPFEDSA-N 0 0 431.457 3.928 50 0 IHAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003427881 569450664 /nfs/dbraw/zinc/45/06/64/569450664.db2.gz ZUDMKJQYEDPIKH-UHFFFAOYSA-N 0 0 439.480 3.667 50 0 IHAARN CCc1nnc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000003427803 569450677 /nfs/dbraw/zinc/45/06/77/569450677.db2.gz BYFKODSMYBQTJG-UHFFFAOYSA-N 0 0 442.522 3.812 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2cc1Cl ZINC000003431349 569450891 /nfs/dbraw/zinc/45/08/91/569450891.db2.gz VQNOSNVSJRBANU-QGZVFWFLSA-N 0 0 439.895 3.889 50 0 IHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(F)cc2)cc1OC ZINC000003435318 569451002 /nfs/dbraw/zinc/45/10/02/569451002.db2.gz BMPSEYNGTVJIBL-UHFFFAOYSA-N 0 0 438.455 3.790 50 0 IHAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1c(Cl)cccc1Cl ZINC000003446241 569451377 /nfs/dbraw/zinc/45/13/77/569451377.db2.gz YXWMPZRHYFVQPZ-MRXNPFEDSA-N 0 0 431.279 3.576 50 0 IHAARN Cc1cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)n2c2ccccc12 ZINC000003446821 569451416 /nfs/dbraw/zinc/45/14/16/569451416.db2.gz GXXDQGQMQQUXPD-UHFFFAOYSA-N 0 0 437.500 3.519 50 0 IHAARN O=C(COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21)NCC(F)(F)F ZINC000003448806 569451514 /nfs/dbraw/zinc/45/15/14/569451514.db2.gz ZYQOLNPNQKSMBL-UHFFFAOYSA-N 0 0 444.409 3.856 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)ccc2c1 ZINC000003450979 569451661 /nfs/dbraw/zinc/45/16/61/569451661.db2.gz QVNWHGVTYCLLKK-RUZDIDTESA-N 0 0 431.492 3.871 50 0 IHAARN CN(C(=O)COc1ccc2occ(-c3cc4ccccc4o3)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000217705326 569452015 /nfs/dbraw/zinc/45/20/15/569452015.db2.gz FHRMTNPHTGCTCP-MRXNPFEDSA-N 0 0 439.489 3.870 50 0 biogenic IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C(C)C)cc1 ZINC000003481794 569452336 /nfs/dbraw/zinc/45/23/36/569452336.db2.gz IGZYNKKPWRYJFZ-UHFFFAOYSA-N 0 0 426.498 3.994 50 0 IHAARN COC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(F)cc1F ZINC000031027946 569452489 /nfs/dbraw/zinc/45/24/89/569452489.db2.gz CIKNTGKUFPYZQR-UHFFFAOYSA-N 0 0 435.404 3.571 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(I)cc1 ZINC000003543200 569453650 /nfs/dbraw/zinc/45/36/50/569453650.db2.gz YEOHNDBVVQYMJX-UHFFFAOYSA-N 0 0 436.278 3.603 50 0 IHAARN C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCc2ccccc21 ZINC000003544867 569453651 /nfs/dbraw/zinc/45/36/51/569453651.db2.gz WBIREPISLPVXQB-INIZCTEOSA-N 0 0 440.455 3.622 50 0 IHAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(=O)NCc2ccco2)c1 ZINC000003556302 569453911 /nfs/dbraw/zinc/45/39/11/569453911.db2.gz MGUJZQMWDXCVIM-UHFFFAOYSA-N 0 0 449.438 3.753 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000031179082 569454506 /nfs/dbraw/zinc/45/45/06/569454506.db2.gz ZJDBGXAKBSDXMN-AWEZNQCLSA-N 0 0 447.507 3.527 50 0 IHAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031186907 569454565 /nfs/dbraw/zinc/45/45/65/569454565.db2.gz YJRAKYAUDURXNT-UHFFFAOYSA-N 0 0 440.927 3.548 50 0 IHAARN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000031190873 569454611 /nfs/dbraw/zinc/45/46/11/569454611.db2.gz CJSRGMKAYUBJFA-UHFFFAOYSA-N 0 0 426.419 3.735 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 ZINC000003620616 569455181 /nfs/dbraw/zinc/45/51/81/569455181.db2.gz CXQOJLBAPSCHTQ-UHFFFAOYSA-N 0 0 439.892 3.693 50 0 IHAARN C[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000031310219 569455727 /nfs/dbraw/zinc/45/57/27/569455727.db2.gz NATWGBFEISTQBO-AWEZNQCLSA-N 0 0 426.870 3.753 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000058574972 569456364 /nfs/dbraw/zinc/45/63/64/569456364.db2.gz GSEJVKZUMVDOAP-UHFFFAOYSA-N 0 0 441.509 3.772 50 0 IHAARN CC(=O)CCc1ccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000058614959 569456545 /nfs/dbraw/zinc/45/65/45/569456545.db2.gz LYKURXLFZYDTFQ-MRXNPFEDSA-N 0 0 435.307 3.665 50 0 IHAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000031557916 569456738 /nfs/dbraw/zinc/45/67/38/569456738.db2.gz JQCDEXZFPUPCCW-HSZRJFAPSA-N 0 0 441.547 3.861 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1c(Cl)cccc1Cl)SCC(=O)N2 ZINC000031806896 569457530 /nfs/dbraw/zinc/45/75/30/569457530.db2.gz LGIBXGQIUMFDFS-HNNXBMFYSA-N 0 0 446.323 3.929 50 0 IHAARN COc1cc(C(=O)Nc2cccc(Cl)c2-n2cncn2)cc(OC)c1Br ZINC000031922561 569458463 /nfs/dbraw/zinc/45/84/63/569458463.db2.gz RBDYNACJOWRECF-UHFFFAOYSA-N 0 0 437.681 3.953 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000004057364 569458522 /nfs/dbraw/zinc/45/85/22/569458522.db2.gz SNKHESOGBMINDV-UHFFFAOYSA-N 0 0 448.552 3.838 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000004084031 569458696 /nfs/dbraw/zinc/45/86/96/569458696.db2.gz JOTRMFXMUYKPIU-SFHVURJKSA-N 0 0 426.513 3.683 50 0 biogenic IHAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)Nc5ccccc5)c4=O)c3cc2CO1 ZINC000032069646 569459144 /nfs/dbraw/zinc/45/91/44/569459144.db2.gz JTZDITGUNLTSGR-QHCPKHFHSA-N 0 0 434.521 3.886 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)ccc2OC)C12CCCC2 ZINC000032073137 569459267 /nfs/dbraw/zinc/45/92/67/569459267.db2.gz YPDMBICRBPMWIE-QFIPXVFZSA-N 0 0 438.524 3.841 50 0 IHAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032096703 569459878 /nfs/dbraw/zinc/45/98/78/569459878.db2.gz WOMYOKFEMWJJHW-CYBMUJFWSA-N 0 0 427.254 3.547 50 0 IHAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCCN2CCOCC2)C1 ZINC000004162566 569460578 /nfs/dbraw/zinc/46/05/78/569460578.db2.gz IHHXCMRSFQDHDV-UHFFFAOYSA-N 0 0 438.524 3.945 50 0 IHAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(Cl)cc1Cl ZINC000032193221 569460682 /nfs/dbraw/zinc/46/06/82/569460682.db2.gz LXJKVDQEBLPDEP-GFCCVEGCSA-N 0 0 430.357 3.607 50 0 IHAARN C[C@@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc2c(c1)OCCCO2 ZINC000032283961 569461056 /nfs/dbraw/zinc/46/10/56/569461056.db2.gz NOXKCSHIUXBAAV-CYBMUJFWSA-N 0 0 432.402 3.938 50 0 IHAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000032450824 569461778 /nfs/dbraw/zinc/46/17/78/569461778.db2.gz AEFOYVQHDVKJPD-UHFFFAOYSA-N 0 0 446.551 3.995 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038180761 569462325 /nfs/dbraw/zinc/46/23/25/569462325.db2.gz HWTPIFMCSOYGEI-UONOGXRCSA-N 0 0 427.858 3.584 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccccc3)CC2)c1 ZINC000038487408 569462891 /nfs/dbraw/zinc/46/28/91/569462891.db2.gz AVZSIRMQCNJYJJ-UHFFFAOYSA-N 0 0 441.578 3.820 50 0 IHAARN CCOc1cccc2sc(N3CCN(C(=O)NCCc4ccc(OC)cc4)CC3)nc21 ZINC000038548386 569463936 /nfs/dbraw/zinc/46/39/36/569463936.db2.gz XTMPAVCXYZAYLO-UHFFFAOYSA-N 0 0 440.569 3.778 50 0 IHAARN O=C(COC(=O)c1ccc(Br)cc1)NCc1cccc(Br)c1 ZINC000067197446 569464424 /nfs/dbraw/zinc/46/44/24/569464424.db2.gz QEJBMQHCFWSCNE-UHFFFAOYSA-N 0 0 427.092 3.685 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1C ZINC000067218550 569465048 /nfs/dbraw/zinc/46/50/48/569465048.db2.gz DQIVOPUEISNEST-UHFFFAOYSA-N 0 0 445.544 3.958 50 0 IHAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2s1 ZINC000067225846 569465185 /nfs/dbraw/zinc/46/51/85/569465185.db2.gz NLIPQPHZUJUTGX-UHFFFAOYSA-N 0 0 445.548 3.617 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 ZINC000067237634 569465517 /nfs/dbraw/zinc/46/55/17/569465517.db2.gz ZDZDEMONVDWPCZ-UHFFFAOYSA-N 0 0 442.541 3.597 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000067239169 569465623 /nfs/dbraw/zinc/46/56/23/569465623.db2.gz AUIVEMIFDFMOLF-CYBMUJFWSA-N 0 0 427.530 3.693 50 0 IHAARN Cc1cc2nc(SCC(=O)NCCc3cccs3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067239403 569465668 /nfs/dbraw/zinc/46/56/68/569465668.db2.gz NHPDUJBCIIBAPL-UHFFFAOYSA-N 0 0 442.541 3.674 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000067239251 569465697 /nfs/dbraw/zinc/46/56/97/569465697.db2.gz CTGUTLVCZTUOFT-CABCVRRESA-N 0 0 428.558 3.982 50 0 IHAARN O=c1[nH]c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000038654873 569465792 /nfs/dbraw/zinc/46/57/92/569465792.db2.gz FYJRDPLXOZBEGN-UHFFFAOYSA-N 0 0 445.460 3.989 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000067255569 569466070 /nfs/dbraw/zinc/46/60/70/569466070.db2.gz FHJJSHVJHMERHV-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN CC1CCC(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)CC1 ZINC000067255524 569466074 /nfs/dbraw/zinc/46/60/74/569466074.db2.gz VSYQNCAHXCJHDP-UHFFFAOYSA-N 0 0 445.976 3.532 50 0 IHAARN COc1cccc2cc(C(=O)Nc3ccc(CC(=O)NCc4cccs4)cc3)c(=O)oc21 ZINC000038678491 569466614 /nfs/dbraw/zinc/46/66/14/569466614.db2.gz VPACVPXFKCZYTL-UHFFFAOYSA-N 0 0 448.500 3.974 50 0 IHAARN COc1ccc(OC)c(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)c1 ZINC000067288345 569467362 /nfs/dbraw/zinc/46/73/62/569467362.db2.gz YQMOAVLGCBVCAO-UHFFFAOYSA-N 0 0 441.915 3.990 50 0 IHAARN COc1cc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc(OC)c1 ZINC000067289528 569467501 /nfs/dbraw/zinc/46/75/01/569467501.db2.gz WLQALQQHXKWZNR-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067292862 569467757 /nfs/dbraw/zinc/46/77/57/569467757.db2.gz OQVPKCHHNLYNDG-LTHSRMNQSA-N 0 0 440.883 3.999 50 0 IHAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000067298828 569468085 /nfs/dbraw/zinc/46/80/85/569468085.db2.gz IBWDQKOAMJQWIS-NOAXNCOGSA-N 0 0 428.872 3.942 50 0 IHAARN Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1CCO ZINC000067300360 569468201 /nfs/dbraw/zinc/46/82/01/569468201.db2.gz ZADIUBBXJVHPDZ-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)c1 ZINC000067301658 569468308 /nfs/dbraw/zinc/46/83/08/569468308.db2.gz NOMPNLVKAMWPSO-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN CCn1cc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c(=O)c2ccc(C)nc21 ZINC000038735932 569468355 /nfs/dbraw/zinc/46/83/55/569468355.db2.gz XXNUIHGGLNODPJ-UHFFFAOYSA-N 0 0 431.521 3.946 50 0 IHAARN COc1cc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc(OC)c1 ZINC000067317875 569468486 /nfs/dbraw/zinc/46/84/86/569468486.db2.gz XUZLKKLIZDDHFB-UHFFFAOYSA-N 0 0 446.463 3.585 50 0 IHAARN COc1cccc([C@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 ZINC000067320167 569468643 /nfs/dbraw/zinc/46/86/43/569468643.db2.gz ORAGVYKPIACFKT-INIZCTEOSA-N 0 0 442.585 3.770 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 ZINC000067323198 569468802 /nfs/dbraw/zinc/46/88/02/569468802.db2.gz CXBBAXCGBDPTKN-UHFFFAOYSA-N 0 0 449.511 3.579 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC3 ZINC000067349923 569469050 /nfs/dbraw/zinc/46/90/50/569469050.db2.gz CHZNVTSSLLZIMZ-UHFFFAOYSA-N 0 0 429.879 3.634 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NCc1ccccc1 ZINC000008629814 569469498 /nfs/dbraw/zinc/46/94/98/569469498.db2.gz QMGNENZMYIVSSJ-CYBMUJFWSA-N 0 0 430.913 3.533 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000038943522 569469573 /nfs/dbraw/zinc/46/95/73/569469573.db2.gz UUUCXWZQQVDWLV-UHFFFAOYSA-N 0 0 440.546 3.754 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000008661440 569469846 /nfs/dbraw/zinc/46/98/46/569469846.db2.gz ITXWCELLFGIICJ-LBPRGKRZSA-N 0 0 429.361 3.550 50 0 IHAARN CCC1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccccc2)C1=O ZINC000008662734 569469958 /nfs/dbraw/zinc/46/99/58/569469958.db2.gz NXJFIYSAYNDOIJ-UHFFFAOYSA-N 0 0 440.455 3.806 50 0 IHAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1 ZINC000008694905 569470130 /nfs/dbraw/zinc/47/01/30/569470130.db2.gz ZWVPRUIBYOLCBW-UHFFFAOYSA-N 0 0 428.418 3.740 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H](c3nc4ccccc4s3)C1)CCC2 ZINC000008705243 569470355 /nfs/dbraw/zinc/47/03/55/569470355.db2.gz ZPKNKZYJPFYHGH-ZDUSSCGKSA-N 0 0 440.594 3.764 50 0 IHAARN CN(c1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)S(C)(=O)=O ZINC000008705718 569470435 /nfs/dbraw/zinc/47/04/35/569470435.db2.gz YHRFJKXRROCUMW-UHFFFAOYSA-N 0 0 437.930 3.761 50 0 IHAARN C[C@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cnc2scc(-c3ccccc3)c2c1=O ZINC000008717924 569471203 /nfs/dbraw/zinc/47/12/03/569471203.db2.gz ACQVJRSUXZPLNC-CQSZACIVSA-N 0 0 445.500 3.924 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCCO4)nnc2N2CCCC2)cc1 ZINC000008721364 569471721 /nfs/dbraw/zinc/47/17/21/569471721.db2.gz PWNMJZBORQRZQU-UHFFFAOYSA-N 0 0 436.537 3.922 50 0 IHAARN NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000008724159 569471955 /nfs/dbraw/zinc/47/19/55/569471955.db2.gz XSKHHAAXXQKPEH-UHFFFAOYSA-N 0 0 437.344 3.730 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)cc1 ZINC000008725699 569472242 /nfs/dbraw/zinc/47/22/42/569472242.db2.gz AOUAEFGGLOSHKF-UHFFFAOYSA-N 0 0 436.533 3.958 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 ZINC000008726163 569472278 /nfs/dbraw/zinc/47/22/78/569472278.db2.gz FYQOCTMMYQWVIC-KKSFZXQISA-N 0 0 430.508 3.950 50 0 IHAARN C[C@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1ccccn1 ZINC000008727162 569472373 /nfs/dbraw/zinc/47/23/73/569472373.db2.gz LHZXBQJHERRJQA-IBGZPJMESA-N 0 0 426.520 3.844 50 0 IHAARN COc1ccc(CNC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000008727877 569472377 /nfs/dbraw/zinc/47/23/77/569472377.db2.gz ZMLWXFMVRJMDHP-UHFFFAOYSA-N 0 0 448.519 3.984 50 0 IHAARN COc1ccc(-c2cc(CSc3nnc(-c4ccc(OC)cc4OC)n3N)on2)cc1 ZINC000008728028 569472440 /nfs/dbraw/zinc/47/24/40/569472440.db2.gz LZQWACPAUDHGGH-UHFFFAOYSA-N 0 0 439.497 3.632 50 0 IHAARN COc1cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)ccc1NC(C)=O ZINC000008735274 569472675 /nfs/dbraw/zinc/47/26/75/569472675.db2.gz VYQADPOZTHVDQF-HXUWFJFHSA-N 0 0 434.514 3.922 50 0 IHAARN O=C(COc1cccc(Oc2ccccc2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008735940 569472700 /nfs/dbraw/zinc/47/27/00/569472700.db2.gz QAVHTCCOJTZGAB-LJQANCHMSA-N 0 0 429.538 3.816 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 ZINC000008751528 569473448 /nfs/dbraw/zinc/47/34/48/569473448.db2.gz ZQMJTAHDIUSGDO-GFCCVEGCSA-N 0 0 435.709 3.939 50 0 IHAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008754729 569473842 /nfs/dbraw/zinc/47/38/42/569473842.db2.gz CTVLSUMCLNYEMW-UHFFFAOYSA-N 0 0 438.427 3.598 50 0 IHAARN Cc1nn(S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N(C)c1ccccc1 ZINC000008755111 569473929 /nfs/dbraw/zinc/47/39/29/569473929.db2.gz PXVJFBXYJDJRGQ-UHFFFAOYSA-N 0 0 447.582 3.685 50 0 IHAARN COC[C@H](O)CNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000008764546 569474609 /nfs/dbraw/zinc/47/46/09/569474609.db2.gz PBVHFWYRARGSKG-QGZVFWFLSA-N 0 0 435.476 3.571 50 0 biogenic IHAARN Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc12 ZINC000008765185 569474708 /nfs/dbraw/zinc/47/47/08/569474708.db2.gz QJWGLDGBFAOZFA-UHFFFAOYSA-N 0 0 431.492 3.832 50 0 biogenic IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cccc2ccccc21 ZINC000008771006 569475177 /nfs/dbraw/zinc/47/51/77/569475177.db2.gz BMUNLFIZXPIRBM-OYLFLEFRSA-N 0 0 433.533 3.862 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)c1 ZINC000008790679 569476089 /nfs/dbraw/zinc/47/60/89/569476089.db2.gz RZAYGALATYLSJC-ZCYQVOJMSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN Cc1c(S(=O)(=O)CCNC(=O)NC(C)(C)C)c2ccccc2n1Cc1ccccc1 ZINC000008808525 569476527 /nfs/dbraw/zinc/47/65/27/569476527.db2.gz CJEQKGNUGILTGZ-UHFFFAOYSA-N 0 0 427.570 3.869 50 0 IHAARN Cc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C(C)C)cc1Cl ZINC000008825640 569477456 /nfs/dbraw/zinc/47/74/56/569477456.db2.gz FMGYWYCJJWKEAE-UHFFFAOYSA-N 0 0 431.872 3.908 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ncnc2sccc21 ZINC000008848042 569479143 /nfs/dbraw/zinc/47/91/43/569479143.db2.gz WRLBVHKCDPAWRI-UHFFFAOYSA-N 0 0 445.957 3.722 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCC3)cs2)cc1 ZINC000008850413 569479283 /nfs/dbraw/zinc/47/92/83/569479283.db2.gz CEXDDFMAQAFYCT-UHFFFAOYSA-N 0 0 446.598 3.824 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000008850572 569479373 /nfs/dbraw/zinc/47/93/73/569479373.db2.gz ACKJSKULPZDCGK-UHFFFAOYSA-N 0 0 448.523 3.831 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@H]1CCCc2ccccc21 ZINC000008852895 569479519 /nfs/dbraw/zinc/47/95/19/569479519.db2.gz UJIHLPYSBOCUTN-IBGZPJMESA-N 0 0 431.521 3.807 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 ZINC000008865216 569480288 /nfs/dbraw/zinc/48/02/88/569480288.db2.gz CQPJKBGMGPLGHL-UHFFFAOYSA-N 0 0 448.500 3.899 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2cccc3ccccc32)C1=O ZINC000008879648 569481344 /nfs/dbraw/zinc/48/13/44/569481344.db2.gz VXHNOFOSXMEKNT-RUZDIDTESA-N 0 0 430.460 3.651 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2C)no1 ZINC000008879592 569481367 /nfs/dbraw/zinc/48/13/67/569481367.db2.gz RANOZUOKQCRGSE-VWLOTQADSA-N 0 0 446.507 3.529 50 0 IHAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)OCc1csc(-c2ccccc2OC)n1 ZINC000039996330 569482410 /nfs/dbraw/zinc/48/24/10/569482410.db2.gz GMUBFRYUPQHEKY-UHFFFAOYSA-N 0 0 442.493 3.730 50 0 IHAARN CCc1sc2nc(Sc3ccc4nnnn4n3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000040025161 569482822 /nfs/dbraw/zinc/48/28/22/569482822.db2.gz LBVZEAGKXQRTSZ-UHFFFAOYSA-N 0 0 449.565 3.669 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000008882950 569482998 /nfs/dbraw/zinc/48/29/98/569482998.db2.gz MIFMNKAIWHBPKQ-KUHUBIRLSA-N 0 0 437.323 3.704 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008890614 569483249 /nfs/dbraw/zinc/48/32/49/569483249.db2.gz BDMKSAKDDQRWGD-MYUZEXMDSA-N 0 0 439.515 3.924 50 0 IHAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000008889511 569483267 /nfs/dbraw/zinc/48/32/67/569483267.db2.gz AKBNZNSUFSEMGN-AWEZNQCLSA-N 0 0 439.537 3.675 50 0 IHAARN Cc1ccccc1-n1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000008893013 569483549 /nfs/dbraw/zinc/48/35/49/569483549.db2.gz UQMFIWFFEHQOAR-SFHVURJKSA-N 0 0 441.944 3.938 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1cccs1 ZINC000008899014 569484068 /nfs/dbraw/zinc/48/40/68/569484068.db2.gz FCUARDKOTGIIDZ-DEOSSOPVSA-N 0 0 449.532 3.627 50 0 IHAARN Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)o2)c1 ZINC000008902084 569484385 /nfs/dbraw/zinc/48/43/85/569484385.db2.gz FSRSUBOHLIVGAZ-HNNXBMFYSA-N 0 0 438.509 3.813 50 0 IHAARN CCc1cccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)c1 ZINC000008912589 569485087 /nfs/dbraw/zinc/48/50/87/569485087.db2.gz BANJQDIQINOHBA-UHFFFAOYSA-N 0 0 431.536 3.946 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008915160 569485502 /nfs/dbraw/zinc/48/55/02/569485502.db2.gz ZYPKZLNSPKRHGS-QGZVFWFLSA-N 0 0 445.924 3.584 50 0 IHAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008917296 569485992 /nfs/dbraw/zinc/48/59/92/569485992.db2.gz OIIXVYQBYXKKJV-INIZCTEOSA-N 0 0 430.254 3.835 50 0 IHAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000040074034 569486213 /nfs/dbraw/zinc/48/62/13/569486213.db2.gz OJBVJWMEUFCNRZ-QGZVFWFLSA-N 0 0 429.476 3.811 50 0 IHAARN COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918825 569486311 /nfs/dbraw/zinc/48/63/11/569486311.db2.gz NKBHJEZSEGRWLE-UHFFFAOYSA-N 0 0 436.549 3.826 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918764 569486365 /nfs/dbraw/zinc/48/63/65/569486365.db2.gz BEXQAEGWVMZZGH-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CCOC(=O)Cc1ncccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000040081556 569486615 /nfs/dbraw/zinc/48/66/15/569486615.db2.gz FOTRXEOIMQUFEJ-QWRGUYRKSA-N 0 0 426.357 3.827 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccnc1OC1CCCC1 ZINC000040089449 569487108 /nfs/dbraw/zinc/48/71/08/569487108.db2.gz BZPNTHKSUUWELV-UHFFFAOYSA-N 0 0 426.498 3.564 50 0 IHAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000040090272 569487412 /nfs/dbraw/zinc/48/74/12/569487412.db2.gz LVLCNHJUOHHLEA-UHFFFAOYSA-N 0 0 427.482 3.587 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCc1ccccc1 ZINC000008933337 569487801 /nfs/dbraw/zinc/48/78/01/569487801.db2.gz CSHUSQJSMMFDEW-UHFFFAOYSA-N 0 0 440.478 3.855 50 0 IHAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000008933641 569487834 /nfs/dbraw/zinc/48/78/34/569487834.db2.gz POHNHWSGZGMRCJ-UHFFFAOYSA-N 0 0 445.567 3.882 50 0 IHAARN COC[C@H](C)n1c(SCC(=O)N(C)Cc2ccc(C)cc2C)nc2ccccc2c1=O ZINC000008935967 569488046 /nfs/dbraw/zinc/48/80/46/569488046.db2.gz FFGWSKXQUXASKY-SFHVURJKSA-N 0 0 439.581 3.971 50 0 IHAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000040104470 569488150 /nfs/dbraw/zinc/48/81/50/569488150.db2.gz UBZGCFCVULCKGD-NRFANRHFSA-N 0 0 427.476 3.818 50 0 IHAARN CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000040106298 569488348 /nfs/dbraw/zinc/48/83/48/569488348.db2.gz YSXJJICKZIAHCE-UHFFFAOYSA-N 0 0 428.554 3.600 50 0 IHAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CSc1nnc(N)s1 ZINC000008942299 569488685 /nfs/dbraw/zinc/48/86/85/569488685.db2.gz ZCXKOXQGKCVIPI-UHFFFAOYSA-N 0 0 438.531 3.895 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccnc(Oc3ccccc3)c1)C2=O ZINC000040110654 569488723 /nfs/dbraw/zinc/48/87/23/569488723.db2.gz QJSULVKZLDYHRU-UHFFFAOYSA-N 0 0 429.476 3.875 50 0 IHAARN COC(=O)COc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 ZINC000040111479 569488837 /nfs/dbraw/zinc/48/88/37/569488837.db2.gz NWNPAUSNSZMZPV-UHFFFAOYSA-N 0 0 427.482 3.783 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)Cc1ccccc1Cl ZINC000040111960 569488885 /nfs/dbraw/zinc/48/88/85/569488885.db2.gz OLLSRPRARXTUPX-SNVBAGLBSA-N 0 0 425.842 3.703 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)Cc2cccc3ccccc32)c(N2CCCC2)n1 ZINC000008946801 569489140 /nfs/dbraw/zinc/48/91/40/569489140.db2.gz RXKWGODZPOMNBE-UHFFFAOYSA-N 0 0 446.580 3.661 50 0 IHAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040128734 569489730 /nfs/dbraw/zinc/48/97/30/569489730.db2.gz ZMKKFBKGHPVAGC-UHFFFAOYSA-N 0 0 429.402 3.859 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1F ZINC000040127559 569489750 /nfs/dbraw/zinc/48/97/50/569489750.db2.gz AQSFKYMBQWIUPV-UHFFFAOYSA-N 0 0 439.871 3.666 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCc1ccc(C)cc1 ZINC000008952662 569490015 /nfs/dbraw/zinc/49/00/15/569490015.db2.gz SJPNLIGUORLXEH-DENIHFKCSA-N 0 0 426.538 3.677 50 0 biogenic IHAARN CCc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3nc(C)sc32)cc1 ZINC000008956079 569490214 /nfs/dbraw/zinc/49/02/14/569490214.db2.gz BENUBFZQORGSLU-UHFFFAOYSA-N 0 0 448.504 3.758 50 0 IHAARN NC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl ZINC000040132836 569490373 /nfs/dbraw/zinc/49/03/73/569490373.db2.gz LGUXJXZCBREDLL-LLVKDONJSA-N 0 0 426.826 3.708 50 0 IHAARN CC(C)c1noc(CCCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000040134419 569490589 /nfs/dbraw/zinc/49/05/89/569490589.db2.gz JIRIMUFSYHFSTO-UHFFFAOYSA-N 0 0 425.455 3.715 50 0 IHAARN CS(=O)(=O)Nc1ccsc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000040138920 569490751 /nfs/dbraw/zinc/49/07/51/569490751.db2.gz YAOXKGCRKHPJKQ-KRWDZBQOSA-N 0 0 448.497 3.796 50 0 IHAARN COc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc(OC)c1OC ZINC000040140146 569491523 /nfs/dbraw/zinc/49/15/23/569491523.db2.gz GVNNEZAHZKWTAZ-UHFFFAOYSA-N 0 0 429.423 3.917 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n1 ZINC000040141717 569491762 /nfs/dbraw/zinc/49/17/62/569491762.db2.gz SXHGIPNKHWHPLT-NSHDSACASA-N 0 0 427.320 3.726 50 0 IHAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000008970173 569492044 /nfs/dbraw/zinc/49/20/44/569492044.db2.gz PKJQETBEPVQNLG-UHFFFAOYSA-N 0 0 441.294 3.600 50 0 IHAARN Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000040149025 569492420 /nfs/dbraw/zinc/49/24/20/569492420.db2.gz LLDZRFJKABBWPW-UHFFFAOYSA-N 0 0 440.341 3.697 50 0 IHAARN Cc1ccc(-n2nnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1 ZINC000008973010 569492768 /nfs/dbraw/zinc/49/27/68/569492768.db2.gz AWLLDIRIUFCSII-FQEVSTJZSA-N 0 0 435.557 3.761 50 0 IHAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000040152946 569493592 /nfs/dbraw/zinc/49/35/92/569493592.db2.gz IODCCNZVJJABKW-UHFFFAOYSA-N 0 0 429.929 3.601 50 0 IHAARN COc1cccc(OCCOc2cccc(/C=c3/sc4nc5ccccc5n4c3=O)c2)c1 ZINC000008983587 569494653 /nfs/dbraw/zinc/49/46/53/569494653.db2.gz BWVLYKQGIYXBHV-HZHRSRAPSA-N 0 0 444.512 3.923 50 0 IHAARN COc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1 ZINC000008987671 569494889 /nfs/dbraw/zinc/49/48/89/569494889.db2.gz MGLWEBBDWXFTMV-UHFFFAOYSA-N 0 0 425.535 3.820 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000008993228 569495457 /nfs/dbraw/zinc/49/54/57/569495457.db2.gz NRZFJTZYHLYOTF-QGZVFWFLSA-N 0 0 447.988 3.980 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009005292 569496102 /nfs/dbraw/zinc/49/61/02/569496102.db2.gz ANKHEEFQWRWDGP-JOCHJYFZSA-N 0 0 444.578 3.699 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1 ZINC000009005139 569496137 /nfs/dbraw/zinc/49/61/37/569496137.db2.gz CEHHZKLUJYSVRM-QGZVFWFLSA-N 0 0 436.942 3.507 50 0 IHAARN Cc1ccccc1C(=O)NCCn1ncc2c1ncn(Cc1cccc3ccccc31)c2=O ZINC000009016504 569496868 /nfs/dbraw/zinc/49/68/68/569496868.db2.gz NEDRNUKTERUZOK-UHFFFAOYSA-N 0 0 437.503 3.533 50 0 IHAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c32)C1 ZINC000009041232 569497568 /nfs/dbraw/zinc/49/75/68/569497568.db2.gz HOXINOZNEIMBGK-LLVKDONJSA-N 0 0 432.343 3.984 50 0 IHAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(=O)N2 ZINC000040283538 569497820 /nfs/dbraw/zinc/49/78/20/569497820.db2.gz LJFNGPUBISPMNM-GFCCVEGCSA-N 0 0 429.362 3.641 50 0 IHAARN CCCCn1c(=O)[nH]nc1SCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000009050010 569498598 /nfs/dbraw/zinc/49/85/98/569498598.db2.gz TTWXCDKHBJUOKD-UHFFFAOYSA-N 0 0 442.541 3.542 50 0 IHAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000009054089 569498849 /nfs/dbraw/zinc/49/88/49/569498849.db2.gz FQFNDQQYIKQVMU-QGZVFWFLSA-N 0 0 428.583 3.936 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009056447 569499023 /nfs/dbraw/zinc/49/90/23/569499023.db2.gz ILPXCEAPQKUCBG-JOCHJYFZSA-N 0 0 442.519 3.936 50 0 IHAARN C[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 ZINC000009057961 569499207 /nfs/dbraw/zinc/49/92/07/569499207.db2.gz IFGQCFANNATYMW-HOTGVXAUSA-N 0 0 432.586 3.830 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2Cl)C1 ZINC000245225020 569499523 /nfs/dbraw/zinc/49/95/23/569499523.db2.gz KSCNGRCDSWJTJF-HZPDHXFCSA-N 0 0 435.977 3.779 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccco2)[C@H]1C ZINC000245228489 569499720 /nfs/dbraw/zinc/49/97/20/569499720.db2.gz AHPKAUWVZNSKBX-NLOPZFEXSA-N 0 0 434.540 3.985 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009086443 569500609 /nfs/dbraw/zinc/50/06/09/569500609.db2.gz RDULOQLZXJOLDH-UAFMIMERSA-N 0 0 427.287 3.972 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245240868 569500732 /nfs/dbraw/zinc/50/07/32/569500732.db2.gz UOPPZXUWLPJHKH-UFXZXOMWSA-N 0 0 440.588 3.618 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O ZINC000009092678 569501220 /nfs/dbraw/zinc/50/12/20/569501220.db2.gz FWTOKFZHEUHYQV-SANMLTNESA-N 0 0 440.455 3.636 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1cccs1)c1ccc2c(c1)OCO2 ZINC000009104062 569501774 /nfs/dbraw/zinc/50/17/74/569501774.db2.gz OJGUQQVVCWVBKB-CQSZACIVSA-N 0 0 441.534 3.922 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101611 569501792 /nfs/dbraw/zinc/50/17/92/569501792.db2.gz FVIIWPYKIZIXCM-FQEVSTJZSA-N 0 0 427.451 3.697 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 ZINC000009115305 569502690 /nfs/dbraw/zinc/50/26/90/569502690.db2.gz WLQDSAGQYUVIPX-UHFFFAOYSA-N 0 0 426.538 3.991 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccccc2)c1=O ZINC000009116491 569502907 /nfs/dbraw/zinc/50/29/07/569502907.db2.gz VRBXLGFPFRCBMS-UHFFFAOYSA-N 0 0 439.471 3.905 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000009116492 569502949 /nfs/dbraw/zinc/50/29/49/569502949.db2.gz PPBWQASNPHOHER-UHFFFAOYSA-N 0 0 439.471 3.905 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccccc5)CC4)sc3n2)cc1 ZINC000009117341 569503101 /nfs/dbraw/zinc/50/31/01/569503101.db2.gz MRMITUOTLQDDTJ-UHFFFAOYSA-N 0 0 447.564 3.999 50 0 IHAARN COC(=O)C1=C2N(C)c3ccccc3N2C(=O)N[C@]1(c1ccc(OC)cc1)C(F)(F)F ZINC000009119800 569503616 /nfs/dbraw/zinc/50/36/16/569503616.db2.gz OQCANTKETHVMAQ-FQEVSTJZSA-N 0 0 433.386 3.517 50 0 IHAARN Cc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009120044 569503725 /nfs/dbraw/zinc/50/37/25/569503725.db2.gz YUYKWXBUHIUZOT-UHFFFAOYSA-N 0 0 449.536 3.911 50 0 IHAARN CCOC(=O)C1=C(CSc2ncnc3ccccc32)NC(=O)N[C@H]1c1cccs1 ZINC000009119928 569503730 /nfs/dbraw/zinc/50/37/30/569503730.db2.gz JJXPZSRYNJHOBG-KRWDZBQOSA-N 0 0 426.523 3.655 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cs2)cc1 ZINC000009126336 569504937 /nfs/dbraw/zinc/50/49/37/569504937.db2.gz JJJPISZYBBTBQK-NYHFZMIOSA-N 0 0 427.526 3.662 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cs2)cc1 ZINC000009126338 569504938 /nfs/dbraw/zinc/50/49/38/569504938.db2.gz JJJPISZYBBTBQK-QRQCRPRQSA-N 0 0 427.526 3.662 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000009127743 569505255 /nfs/dbraw/zinc/50/52/55/569505255.db2.gz ZZERUNAUYWNTCH-UHFFFAOYSA-N 0 0 436.965 3.703 50 0 IHAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009127807 569505267 /nfs/dbraw/zinc/50/52/67/569505267.db2.gz VBMQAUQMSUXQSX-UHFFFAOYSA-N 0 0 433.961 3.977 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1OC ZINC000245380883 569505548 /nfs/dbraw/zinc/50/55/48/569505548.db2.gz RCMAAODXWJDDFR-MPGACCPCSA-N 0 0 448.585 3.857 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c1 ZINC000009130265 569506008 /nfs/dbraw/zinc/50/60/08/569506008.db2.gz RXTIMXBQPXTKHI-PXDATVDWSA-N 0 0 428.444 3.785 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450449 569506378 /nfs/dbraw/zinc/50/63/78/569506378.db2.gz APAMCLWNYBJRGT-UHFFFAOYSA-N 0 0 441.391 3.701 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c(Br)cc2C[C@@H]1C ZINC000040450712 569506410 /nfs/dbraw/zinc/50/64/10/569506410.db2.gz HWUFOLFINIDJMI-STQMWFEESA-N 0 0 449.370 3.887 50 0 IHAARN CC[C@@H](C)NC(=O)CSc1nc2nc(N3CCC(C)CC3)sc2c(=O)n1C(C)C ZINC000040454724 569506486 /nfs/dbraw/zinc/50/64/86/569506486.db2.gz YTNCFHSIZZKWBT-CQSZACIVSA-N 0 0 437.635 3.677 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 ZINC000009131614 569506937 /nfs/dbraw/zinc/50/69/37/569506937.db2.gz SHONGUMZEZWPRQ-INIZCTEOSA-N 0 0 439.468 3.990 50 0 IHAARN CCCCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)cc1Cl)c3=O ZINC000009150082 569507417 /nfs/dbraw/zinc/50/74/17/569507417.db2.gz FLVKUVMGIJNRHA-UHFFFAOYSA-N 0 0 434.327 3.613 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1)OCC(=O)N2 ZINC000009151793 569507648 /nfs/dbraw/zinc/50/76/48/569507648.db2.gz CFWAGWFNCZARGN-OAHLLOKOSA-N 0 0 430.526 3.640 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc(OC)c1 ZINC000009152524 569507815 /nfs/dbraw/zinc/50/78/15/569507815.db2.gz XDOXCJNQODPKQB-AWEZNQCLSA-N 0 0 430.526 3.582 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152887 569507958 /nfs/dbraw/zinc/50/79/58/569507958.db2.gz YSNAGWUILUYHGZ-OLZOCXBDSA-N 0 0 436.530 3.758 50 0 IHAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000009157446 569508398 /nfs/dbraw/zinc/50/83/98/569508398.db2.gz XIHLUVIJXLCEGN-INIZCTEOSA-N 0 0 449.548 3.838 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 ZINC000009157510 569508405 /nfs/dbraw/zinc/50/84/05/569508405.db2.gz JHIDRSJWWWMJDF-SFHVURJKSA-N 0 0 445.585 3.549 50 0 IHAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009157449 569508423 /nfs/dbraw/zinc/50/84/23/569508423.db2.gz AIUWNVASBYKBNO-MRXNPFEDSA-N 0 0 449.548 3.838 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000009170753 569509346 /nfs/dbraw/zinc/50/93/46/569509346.db2.gz KZKKKVPMUFBSHG-UHFFFAOYSA-N 0 0 448.548 3.892 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(-c2ccc(C)cc2)no1 ZINC000009170841 569509391 /nfs/dbraw/zinc/50/93/91/569509391.db2.gz FWJWHXAXUQIFIU-UHFFFAOYSA-N 0 0 442.903 3.821 50 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C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000009788299 569567965 /nfs/dbraw/zinc/56/79/65/569567965.db2.gz ADIJNUROYWFKRP-VIFPVBQESA-N 0 0 435.807 3.659 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009788821 569567976 /nfs/dbraw/zinc/56/79/76/569567976.db2.gz ZUXBXYBXGZZDDJ-HNNXBMFYSA-N 0 0 436.566 3.770 50 0 IHAARN O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009789187 569568049 /nfs/dbraw/zinc/56/80/49/569568049.db2.gz MRKHWOVAWYXXDS-UHFFFAOYSA-N 0 0 440.504 3.910 50 0 IHAARN CN(c1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1)S(C)(=O)=O ZINC000009812355 569569089 /nfs/dbraw/zinc/56/90/89/569569089.db2.gz FHSJBHAKMQKHPI-UHFFFAOYSA-N 0 0 448.595 3.712 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000009814445 569569184 /nfs/dbraw/zinc/56/91/84/569569184.db2.gz CSQCQRMWYIBXNC-FQEVSTJZSA-N 0 0 442.537 3.880 50 0 IHAARN COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000009851403 569571420 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569577091 /nfs/dbraw/zinc/57/70/91/569577091.db2.gz PSQMXGBSMYEODO-UHFFFAOYSA-N 0 0 432.933 3.541 50 0 IHAARN C[C@@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@@H](C)O1 ZINC000010013975 569577093 /nfs/dbraw/zinc/57/70/93/569577093.db2.gz BLIHUZYNQFKCSS-RKDXNWHRSA-N 0 0 445.107 3.567 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000010022259 569577232 /nfs/dbraw/zinc/57/72/32/569577232.db2.gz WDDXJGZGZBJLTC-IRLDBZIGSA-N 0 0 442.943 3.831 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)cc1F ZINC000010186675 569578435 /nfs/dbraw/zinc/57/84/35/569578435.db2.gz ZXTIDLUHZJOEDZ-UHFFFAOYSA-N 0 0 438.528 3.744 50 0 IHAARN CSc1cccc2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc21 ZINC000010187270 569578590 /nfs/dbraw/zinc/57/85/90/569578590.db2.gz ZAIUUAMRKAJKSP-NSHDSACASA-N 0 0 439.609 3.872 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000010233019 569579328 /nfs/dbraw/zinc/57/93/28/569579328.db2.gz FHCWNBCCIHTCLB-HXUWFJFHSA-N 0 0 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O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000000946315 132235986 /nfs/dbraw/zinc/23/59/86/132235986.db2.gz SSMJLZNDZKQXQN-UHFFFAOYSA-N 0 0 446.732 3.595 50 0 IHAARN COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 ZINC000010220740 132243779 /nfs/dbraw/zinc/24/37/79/132243779.db2.gz GVYFYAZLTSEGDP-UHFFFAOYSA-N 0 0 449.532 3.605 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=S)N1c1ccccc1 ZINC000009793581 132244241 /nfs/dbraw/zinc/24/42/41/132244241.db2.gz WMXSJDYUEWTVAB-FQEVSTJZSA-N 0 0 429.492 3.533 50 0 IHAARN O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(c2ccccc2)CC1 ZINC000002466610 132254735 /nfs/dbraw/zinc/25/47/35/132254735.db2.gz SXJBAPHYDBAHFW-FTJBHMTQSA-N 0 0 437.543 3.872 50 0 IHAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(N2CCOCC2)cc1 ZINC000003349635 132264477 /nfs/dbraw/zinc/26/44/77/132264477.db2.gz QWPQJQCFKXFANZ-UHFFFAOYSA-N 0 0 444.487 3.943 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)CC2)cc1 ZINC000004122868 132270559 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521436677 /nfs/dbraw/zinc/43/66/77/521436677.db2.gz NAULOLSKXGFVTO-UHFFFAOYSA-N 0 0 439.581 3.993 50 0 IHAARN CCOC(=O)c1cc(OCc2nc(-c3cccc(OC)c3)no2)cc(C(=O)OCC)c1 ZINC000012815594 521446453 /nfs/dbraw/zinc/44/64/53/521446453.db2.gz COEQPRHJNOLEEC-UHFFFAOYSA-N 0 0 426.425 3.678 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cnc(-c3ccccc3C)nc2)C[C@@H]1CCO ZINC000022852932 521485423 /nfs/dbraw/zinc/48/54/23/521485423.db2.gz FMRSUABDOZDQOH-DEOSSOPVSA-N 0 0 446.595 3.920 50 0 IHAARN CCOc1ccccc1CNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O ZINC000020947117 521493903 /nfs/dbraw/zinc/49/39/03/521493903.db2.gz TXWBMQPJIMQAKC-UHFFFAOYSA-N 0 0 430.508 3.519 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022715116 521501339 /nfs/dbraw/zinc/50/13/39/521501339.db2.gz HGNZFZKJWBPQFB-FQEVSTJZSA-N 0 0 444.553 3.744 50 0 IHAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1 ZINC000036038809 521515940 /nfs/dbraw/zinc/51/59/40/521515940.db2.gz FIEXVTPETAVWQC-UHFFFAOYSA-N 0 0 444.479 3.699 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CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000001003874 523651262 /nfs/dbraw/zinc/65/12/62/523651262.db2.gz KZECXBUILGMOES-UHFFFAOYSA-N 0 0 425.535 3.639 50 0 aggregator IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 ZINC000001003878 523651881 /nfs/dbraw/zinc/65/18/81/523651881.db2.gz JMKJUHJWGQBVBD-UHFFFAOYSA-N 0 0 431.583 3.905 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035948087 523653273 /nfs/dbraw/zinc/65/32/73/523653273.db2.gz XZYVOVVMCQJVSS-QHCPKHFHSA-N 0 0 437.515 3.697 50 0 IHAARN COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cc1OC ZINC000011998173 523706315 /nfs/dbraw/zinc/70/63/15/523706315.db2.gz RSTAPYNYWKPTJG-KRWDZBQOSA-N 0 0 425.872 3.548 50 0 IHAARN COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4ncccc4C)ccc3O2)c(OC)c1OC ZINC000012054537 523711114 /nfs/dbraw/zinc/71/11/14/523711114.db2.gz RZRFDRKJIXPJBU-GOSISDBHSA-N 0 0 434.492 3.816 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002652964 523711805 /nfs/dbraw/zinc/71/18/05/523711805.db2.gz RCMSZTKLJYGYLU-UHFFFAOYSA-N 0 0 442.512 3.585 50 0 IHAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccccc1 ZINC000036012003 523739452 /nfs/dbraw/zinc/73/94/52/523739452.db2.gz XDQSDYIHXIEMPM-UHFFFAOYSA-N 0 0 426.469 3.656 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1S(=O)(=O)N(C)C ZINC000012620185 523739927 /nfs/dbraw/zinc/73/99/27/523739927.db2.gz AFUAMJIQEJMENQ-HNNXBMFYSA-N 0 0 440.974 3.566 50 0 IHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC(C)(C)C ZINC000035770342 523753275 /nfs/dbraw/zinc/75/32/75/523753275.db2.gz FUWMCVKYSMGCMY-UHFFFAOYSA-N 0 0 438.521 3.550 50 0 IHAARN CCc1cc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccc(C(C)=O)s4)c3O2)n(C)n1 ZINC000012149573 523766108 /nfs/dbraw/zinc/76/61/08/523766108.db2.gz DUDCQLULMKYOBP-INIZCTEOSA-N 0 0 427.501 3.786 50 0 IHAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)/C=C/c2cccs2)C3)no1 ZINC000011913286 523768269 /nfs/dbraw/zinc/76/82/69/523768269.db2.gz CUTVEGVKVYBPKW-VOTSOKGWSA-N 0 0 436.537 3.530 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000012917933 523776099 /nfs/dbraw/zinc/77/60/99/523776099.db2.gz MOQOSBIXPVHHOD-UHFFFAOYSA-N 0 0 447.516 3.833 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000020579642 523781189 /nfs/dbraw/zinc/78/11/89/523781189.db2.gz XMJSPOKQIFHTDX-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc(C(C)(C)NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)cc1OC ZINC000012574548 523788710 /nfs/dbraw/zinc/78/87/10/523788710.db2.gz KPJWSIGXELHQMC-QGZVFWFLSA-N 0 0 428.504 3.633 50 0 IHAARN CC[C@H](C(=O)Nc1ccc(OC)cc1)n1c2ccccc2c(=O)n(Cc2ccccc2)c1=O ZINC000036008968 523801295 /nfs/dbraw/zinc/80/12/95/523801295.db2.gz SEKDLZYUTGUNLI-JOCHJYFZSA-N 0 0 443.503 3.810 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012609080 523827051 /nfs/dbraw/zinc/82/70/51/523827051.db2.gz SCIYXGSKPLKSGN-UHFFFAOYSA-N 0 0 431.558 3.619 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCCn1cnc2cc(C(=O)NC3CCCC3)ccc21 ZINC000021653770 523832952 /nfs/dbraw/zinc/83/29/52/523832952.db2.gz XVXGCDNBNRZAAA-UHFFFAOYSA-N 0 0 435.528 3.847 50 0 IHAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(C3CC3)on2)CC1)c1ccccc1 ZINC000011844360 523834745 /nfs/dbraw/zinc/83/47/45/523834745.db2.gz VOMOTTBDZZTLAR-QFIPXVFZSA-N 0 0 449.511 3.552 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)NCc2cccc(Cl)c2)c3=O)cc1 ZINC000033277687 523865690 /nfs/dbraw/zinc/86/56/90/523865690.db2.gz ZQRAVLZLEFAMDB-UHFFFAOYSA-N 0 0 436.899 3.974 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960379 523874826 /nfs/dbraw/zinc/87/48/26/523874826.db2.gz KYGXYPFWYIKDQG-QFIPXVFZSA-N 0 0 435.524 3.558 50 0 IHAARN CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cc1 ZINC000012526760 523894753 /nfs/dbraw/zinc/89/47/53/523894753.db2.gz WSJCBAYULSUIHL-UHFFFAOYSA-N 0 0 445.585 3.590 50 0 IHAARN CCc1ccc(CN(C(=O)c2cc(-c3cccs3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000021524166 523917525 /nfs/dbraw/zinc/91/75/25/523917525.db2.gz FEQKZIOQISBBQL-KRWDZBQOSA-N 0 0 430.551 3.795 50 0 IHAARN COCCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C ZINC000012279630 523931497 /nfs/dbraw/zinc/93/14/97/523931497.db2.gz DLOFBSJEFLJYJK-UHFFFAOYSA-N 0 0 440.569 3.536 50 0 IHAARN CCc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1 ZINC000035423439 523939599 /nfs/dbraw/zinc/93/95/99/523939599.db2.gz KZCUKYMPWLUINN-UHFFFAOYSA-N 0 0 426.476 3.783 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000012738039 523939886 /nfs/dbraw/zinc/93/98/86/523939886.db2.gz XFDHQRVEDFMPGR-IBGZPJMESA-N 0 0 437.323 3.674 50 0 IHAARN CN(C(=O)c1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000032957367 523947705 /nfs/dbraw/zinc/94/77/05/523947705.db2.gz OLCUGWBDFIQJEE-UHFFFAOYSA-N 0 0 425.510 3.518 50 0 IHAARN COc1ccc(CCNC(=O)C2CCN(c3nc(C)c4ccc(C)cc4n3)CC2)cc1OC ZINC000014990903 523955397 /nfs/dbraw/zinc/95/53/97/523955397.db2.gz WOSMTXLARNSPIB-UHFFFAOYSA-N 0 0 448.567 3.839 50 0 IHAARN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(Cl)n1 ZINC000035270530 523971401 /nfs/dbraw/zinc/97/14/01/523971401.db2.gz FIIAVPQYWZOZSI-STQMWFEESA-N 0 0 439.940 3.843 50 0 IHAARN CCc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000020556804 523975573 /nfs/dbraw/zinc/97/55/73/523975573.db2.gz YTYIGYIGZAKHMU-ZIAGYGMSSA-N 0 0 432.567 3.873 50 0 IHAARN COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN([C@@H](C)CC(F)(F)F)C3)cc1 ZINC000020541216 523987452 /nfs/dbraw/zinc/98/74/52/523987452.db2.gz IZHQUBBRCFRJRU-HNNXBMFYSA-N 0 0 438.494 3.535 50 0 IHAARN COc1ccc(CN(C(=O)COC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C2CC2)cc1 ZINC000016699172 523988911 /nfs/dbraw/zinc/98/89/11/523988911.db2.gz VAVHALONUTWJCC-UHFFFAOYSA-N 0 0 437.496 3.747 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 ZINC000015783895 524014565 /nfs/dbraw/zinc/01/45/65/524014565.db2.gz PNXPNYRKLYHRHI-UHFFFAOYSA-N 0 0 426.567 3.850 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)Cc3ccccc3)C2=O)cc1OC ZINC000015946964 524043712 /nfs/dbraw/zinc/04/37/12/524043712.db2.gz KUDKCMXABDXPCJ-AREMUKBSSA-N 0 0 431.488 3.640 50 0 IHAARN COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 ZINC000016047509 524054951 /nfs/dbraw/zinc/05/49/51/524054951.db2.gz MZMJOYNDLJBAJA-UHFFFAOYSA-N 0 0 426.498 3.663 50 0 IHAARN C[C@@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(F)ccc2F)C1=O ZINC000015827210 524089993 /nfs/dbraw/zinc/08/99/93/524089993.db2.gz MXLHXXJCEUNXSQ-CQSZACIVSA-N 0 0 449.479 3.501 50 0 IHAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)N4CCc5ccccc5C4)c3s2)C1 ZINC000035533729 524106691 /nfs/dbraw/zinc/10/66/91/524106691.db2.gz KGFVVHXWQVUOIG-HNNXBMFYSA-N 0 0 439.610 4.000 50 0 IHAARN COc1ccc(CNc2ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)n2)cc1 ZINC000021035771 524107791 /nfs/dbraw/zinc/10/77/91/524107791.db2.gz FGEQIVYUVUAXEE-UHFFFAOYSA-N 0 0 445.567 3.985 50 0 IHAARN COc1ccc(COC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000012772988 524117915 /nfs/dbraw/zinc/11/79/15/524117915.db2.gz JAIIBSITPMLBOS-FQEVSTJZSA-N 0 0 434.467 3.789 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC2CC2)c1OC ZINC000036054512 524122511 /nfs/dbraw/zinc/12/25/11/524122511.db2.gz IXXBYYLBDDVAOG-RBUKOAKNSA-N 0 0 442.943 3.739 50 0 IHAARN COc1cccc([C@H]2[C@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928092 524188434 /nfs/dbraw/zinc/18/84/34/524188434.db2.gz QPOQPOLELZNTNO-RPWUZVMVSA-N 0 0 427.504 3.850 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCC[C@@H](C)C2)c2ccccc23)c1 ZINC000020355989 524196893 /nfs/dbraw/zinc/19/68/93/524196893.db2.gz ZQCGEKJQHFPOSS-MRXNPFEDSA-N 0 0 435.553 3.963 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 ZINC000012791654 524201072 /nfs/dbraw/zinc/20/10/72/524201072.db2.gz BDXOEEQVPSBHPN-LJQANCHMSA-N 0 0 436.430 3.950 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)c1 ZINC000012892929 524209683 /nfs/dbraw/zinc/20/96/83/524209683.db2.gz NMRBWQPJOCCSAI-HXOBKFHXSA-N 0 0 436.508 3.916 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574600 524222654 /nfs/dbraw/zinc/22/26/54/524222654.db2.gz XZDPXVBFXNICFL-UHFFFAOYSA-N 0 0 442.834 3.881 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012782675 524238840 /nfs/dbraw/zinc/23/88/40/524238840.db2.gz ZUVWYFZTYKNBEA-MRXNPFEDSA-N 0 0 429.948 3.704 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574679 524241531 /nfs/dbraw/zinc/24/15/31/524241531.db2.gz GLWPYGRYQJHXCL-MRXNPFEDSA-N 0 0 434.471 3.718 50 0 IHAARN C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c2ccccc2S1 ZINC000012689502 524243700 /nfs/dbraw/zinc/24/37/00/524243700.db2.gz SFMNJRACYXKPQJ-HNNXBMFYSA-N 0 0 449.511 3.639 50 0 IHAARN COc1ccc(Cn2cc(C(=O)NCC[C@@]3(c4ccccc4)CCOC(C)(C)C3)nn2)cc1 ZINC000012572343 524259113 /nfs/dbraw/zinc/25/91/13/524259113.db2.gz JJVIDDRTKMYDBB-AREMUKBSSA-N 0 0 448.567 3.982 50 0 IHAARN COc1ccccc1-c1noc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 ZINC000021939919 524298672 /nfs/dbraw/zinc/29/86/72/524298672.db2.gz WGLOJOHLHROVRD-AWEZNQCLSA-N 0 0 433.917 3.967 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(C)c1 ZINC000021780150 524318644 /nfs/dbraw/zinc/31/86/44/524318644.db2.gz ADDBATSRNWCHLH-UHFFFAOYSA-N 0 0 434.565 3.924 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)N2CCCCCC2)CCS3)c1 ZINC000012140528 524356213 /nfs/dbraw/zinc/35/62/13/524356213.db2.gz YVNYIOJAYQTDDX-UHFFFAOYSA-N 0 0 429.611 3.992 50 0 IHAARN COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000009661188 524356775 /nfs/dbraw/zinc/35/67/75/524356775.db2.gz FPYIIHPRFUOLRD-UHFFFAOYSA-N 0 0 443.442 3.710 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000012215818 524357644 /nfs/dbraw/zinc/35/76/44/524357644.db2.gz DAFWMVDLGUNTOT-UHFFFAOYSA-N 0 0 442.562 3.780 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)c1 ZINC000035532858 524420779 /nfs/dbraw/zinc/42/07/79/524420779.db2.gz RIWRKAAZSNOGRG-UHFFFAOYSA-N 0 0 431.612 3.987 50 0 IHAARN Cc1cc(C)cc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000020995617 524421886 /nfs/dbraw/zinc/42/18/86/524421886.db2.gz VTJVXHDEFXBOID-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1OC ZINC000016992081 524459350 /nfs/dbraw/zinc/45/93/50/524459350.db2.gz POCUTHPRCRKTCQ-UHFFFAOYSA-N 0 0 443.500 3.572 50 0 IHAARN COc1ccccc1CNC(=O)CCCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032995426 524462224 /nfs/dbraw/zinc/46/22/24/524462224.db2.gz FZFSZQBCJMGBCR-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022908136 524462372 /nfs/dbraw/zinc/46/23/72/524462372.db2.gz GLLDXQONVKNETO-OAQYLSRUSA-N 0 0 435.549 3.611 50 0 IHAARN COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1Cl ZINC000020735421 524474070 /nfs/dbraw/zinc/47/40/70/524474070.db2.gz DBSGSQJTNUJAQB-UHFFFAOYSA-N 0 0 428.924 3.765 50 0 IHAARN COc1ccccc1CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000033141729 524485849 /nfs/dbraw/zinc/48/58/49/524485849.db2.gz SHMPLYWSOMVUNU-UHFFFAOYSA-N 0 0 430.551 3.820 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008397017 524491519 /nfs/dbraw/zinc/49/15/19/524491519.db2.gz RRKMURUVMRTDEW-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000035531259 524493823 /nfs/dbraw/zinc/49/38/23/524493823.db2.gz FSJQIILFNRMIIZ-UHFFFAOYSA-N 0 0 438.952 3.895 50 0 IHAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC ZINC000009665441 524499782 /nfs/dbraw/zinc/49/97/82/524499782.db2.gz ALKGGYSFBJXAIV-UHFFFAOYSA-N 0 0 438.436 3.653 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(F)c4)cn32)cc1 ZINC000033284437 524509495 /nfs/dbraw/zinc/50/94/95/524509495.db2.gz SUXJPDLFFUJKDA-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)cc1OC ZINC000021658348 524516205 /nfs/dbraw/zinc/51/62/05/524516205.db2.gz JVYCVCFWKQESPF-UHFFFAOYSA-N 0 0 429.527 3.704 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 ZINC000018195094 524520450 /nfs/dbraw/zinc/52/04/50/524520450.db2.gz SAKYCYSRVVMHOG-OAQYLSRUSA-N 0 0 446.532 3.621 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(N3CCC(C)CC3)c3ccccc3c2=O)cc1Cl ZINC000033174940 524533157 /nfs/dbraw/zinc/53/31/57/524533157.db2.gz JWUSSKIOGJTRJJ-UHFFFAOYSA-N 0 0 440.931 3.934 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)cc1 ZINC000012628284 524537396 /nfs/dbraw/zinc/53/73/96/524537396.db2.gz XZVWVUNOVKUEHW-HXUWFJFHSA-N 0 0 439.309 3.660 50 0 IHAARN COc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(OC)cc2)cc1 ZINC000034927487 524541696 /nfs/dbraw/zinc/54/16/96/524541696.db2.gz TZGRMFUDGWTERR-UHFFFAOYSA-N 0 0 427.526 3.808 50 0 IHAARN Cc1cccc(N2CCN(C(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1C ZINC000012512203 524544927 /nfs/dbraw/zinc/54/49/27/524544927.db2.gz AKKGJRRUYVPYTF-UHFFFAOYSA-N 0 0 432.520 3.626 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020530996 524550309 /nfs/dbraw/zinc/55/03/09/524550309.db2.gz UDFOXWOYFUHTNQ-RUZDIDTESA-N 0 0 441.531 3.741 50 0 IHAARN COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1OC ZINC000021156606 524579263 /nfs/dbraw/zinc/57/92/63/524579263.db2.gz HBAREKLCWZBNKS-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1OC ZINC000033125558 524583977 /nfs/dbraw/zinc/58/39/77/524583977.db2.gz BVQDKRMBDVYJLV-CQSZACIVSA-N 0 0 443.887 3.618 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000012248758 524599374 /nfs/dbraw/zinc/59/93/74/524599374.db2.gz RWDJUAHPASFPDY-UHFFFAOYSA-N 0 0 431.470 3.502 50 0 IHAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)n1 ZINC000012494443 524602724 /nfs/dbraw/zinc/60/27/24/524602724.db2.gz ZASCSRKRRFSONQ-UHFFFAOYSA-N 0 0 434.978 3.898 50 0 IHAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CNC(=O)C(C)C ZINC000036048448 524613225 /nfs/dbraw/zinc/61/32/25/524613225.db2.gz RLYOTYFDDSVSGF-IBGZPJMESA-N 0 0 441.528 3.616 50 0 IHAARN C[C@@H]1CC[C@@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000012803718 524620305 /nfs/dbraw/zinc/62/03/05/524620305.db2.gz VQBACKJNZSQYMZ-QRWLVFNGSA-N 0 0 437.993 3.932 50 0 IHAARN C[C@@H](CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 ZINC000015935612 524650691 /nfs/dbraw/zinc/65/06/91/524650691.db2.gz FNCVJEKTFKPZQF-IBGZPJMESA-N 0 0 439.581 3.736 50 0 IHAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2C)c(OC)c1 ZINC000016991730 524662615 /nfs/dbraw/zinc/66/26/15/524662615.db2.gz GZKMAVOAVWHMPN-UHFFFAOYSA-N 0 0 433.468 3.868 50 0 IHAARN COc1ccc(NC(=S)N2CCC3(CC2)N[C@H](CC(C)C)C(=O)N3CC(C)C)cc1 ZINC000036029058 524666823 /nfs/dbraw/zinc/66/68/23/524666823.db2.gz SDXMHVJKOXVBDR-HXUWFJFHSA-N 0 0 432.634 3.687 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012877496 524673458 /nfs/dbraw/zinc/67/34/58/524673458.db2.gz ZFOVXFNSELQDIG-INIZCTEOSA-N 0 0 431.539 3.789 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)c1C ZINC000012584751 524692043 /nfs/dbraw/zinc/69/20/43/524692043.db2.gz MGTSFNOLVJEKKG-OAQYLSRUSA-N 0 0 441.553 3.730 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000012912078 524731803 /nfs/dbraw/zinc/73/18/03/524731803.db2.gz ZAJHCWXZMGZGSI-JOCHJYFZSA-N 0 0 446.551 3.634 50 0 IHAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(F)cc2)n1 ZINC000015670570 524748577 /nfs/dbraw/zinc/74/85/77/524748577.db2.gz PDZMIAYDIOMELQ-KRWDZBQOSA-N 0 0 430.443 3.655 50 0 IHAARN Cc1ccc(Cn2c3ccccc3n(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)c2=O)cc1 ZINC000033272505 524769440 /nfs/dbraw/zinc/76/94/40/524769440.db2.gz BZLXBHONIZRBDL-FQEVSTJZSA-N 0 0 441.531 3.787 50 0 IHAARN C[C@@H]1CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000012650773 524784037 /nfs/dbraw/zinc/78/40/37/524784037.db2.gz ZJRZDWFDSHAJRB-OKILXGFUSA-N 0 0 437.418 3.637 50 0 IHAARN COc1ccc(OC)c(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)c1 ZINC000012247807 524806483 /nfs/dbraw/zinc/80/64/83/524806483.db2.gz IXLHFIIKGUWAKQ-UHFFFAOYSA-N 0 0 441.557 3.569 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000024608158 524848762 /nfs/dbraw/zinc/84/87/62/524848762.db2.gz CJIFQCZJMMSFFC-UHFFFAOYSA-N 0 0 442.468 3.657 50 0 IHAARN COc1cnc(CSc2nc(C)cc(C)n2)cc1OCC(=O)NCc1ccc(C)cc1 ZINC000015824460 524900412 /nfs/dbraw/zinc/90/04/12/524900412.db2.gz DDRCARXBHKFWGV-UHFFFAOYSA-N 0 0 438.553 3.793 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)c1 ZINC000035142615 524913174 /nfs/dbraw/zinc/91/31/74/524913174.db2.gz WISALHFSXILQHL-MRXNPFEDSA-N 0 0 444.281 3.798 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(Cl)cc1Cl ZINC000012763375 524914914 /nfs/dbraw/zinc/91/49/14/524914914.db2.gz KYYWVYHNEHXFOM-ZDUSSCGKSA-N 0 0 444.384 3.610 50 0 IHAARN COc1ccc(OC)c([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000017197822 524917755 /nfs/dbraw/zinc/91/77/55/524917755.db2.gz YJRHKCGDMIEMAF-NPMXOYFQSA-N 0 0 439.537 3.669 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NC2CCCC2)C3=O)cc1C ZINC000020574269 524921436 /nfs/dbraw/zinc/92/14/36/524921436.db2.gz OMINQUMNPUWCDF-RUZDIDTESA-N 0 0 449.576 3.642 50 0 IHAARN Cc1cccc2c(=O)[nH]c(CN(Cc3nc4c(C)cccc4c(=O)[nH]3)[C@H](C)C3CC3)nc12 ZINC000012736669 524922846 /nfs/dbraw/zinc/92/28/46/524922846.db2.gz LRLJDSSDJWVFBU-MRXNPFEDSA-N 0 0 429.524 3.577 50 0 IHAARN C[C@@H]1CN(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000036047501 524947009 /nfs/dbraw/zinc/94/70/09/524947009.db2.gz CXYDQSAATGZGSO-TXEJJXNPSA-N 0 0 448.429 3.502 50 0 IHAARN Cc1ccc(N2CCN(C(=O)C3CCN(Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1 ZINC000040926836 524959130 /nfs/dbraw/zinc/95/91/30/524959130.db2.gz DQFYNNXTLXJOST-UHFFFAOYSA-N 0 0 445.567 3.606 50 0 IHAARN C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(-n2ccnc2)cc1 ZINC000012560382 524986568 /nfs/dbraw/zinc/98/65/68/524986568.db2.gz DVRGHYOMEBZILO-AWEZNQCLSA-N 0 0 442.313 3.826 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000021705911 524988231 /nfs/dbraw/zinc/98/82/31/524988231.db2.gz XLGQYLGVWCQNQW-QKVFXAPYSA-N 0 0 432.307 3.738 50 0 IHAARN COc1ccc(Oc2cc(N3CCN(C(=O)COCc4ccccc4)[C@@H](C)C3)ncn2)cc1 ZINC000035931539 524993293 /nfs/dbraw/zinc/99/32/93/524993293.db2.gz ZSKGCXOIWDQLEM-IBGZPJMESA-N 0 0 448.523 3.531 50 0 IHAARN Cc1ccccc1-c1noc(C2CCN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)CC2)n1 ZINC000035375854 525019597 /nfs/dbraw/zinc/01/95/97/525019597.db2.gz KDTIOPWWNZSZFN-HXUWFJFHSA-N 0 0 436.512 3.799 50 0 IHAARN Cc1ccccc1-c1noc(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 ZINC000035374867 525021446 /nfs/dbraw/zinc/02/14/46/525021446.db2.gz DXGGCBYSEUVMMD-UHFFFAOYSA-N 0 0 449.530 3.749 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCC(C)CC1 ZINC000012785004 525044136 /nfs/dbraw/zinc/04/41/36/525044136.db2.gz DCMZIZCQWUFAMI-UHFFFAOYSA-N 0 0 428.554 3.755 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 ZINC000020614916 525060275 /nfs/dbraw/zinc/06/02/75/525060275.db2.gz SZCBJUQCBGOVTN-UHFFFAOYSA-N 0 0 448.957 3.641 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1OC ZINC000017051859 525060568 /nfs/dbraw/zinc/06/05/68/525060568.db2.gz LAFUSTKHWNHQOT-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3nc[nH]n3)cc2NC1=O ZINC000012844920 525064786 /nfs/dbraw/zinc/06/47/86/525064786.db2.gz BIPPZZCAQZNIJK-LLVKDONJSA-N 0 0 435.465 3.815 50 0 IHAARN C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n32)CCN1C(=O)C1CC1 ZINC000034700158 525074968 /nfs/dbraw/zinc/07/49/68/525074968.db2.gz OWDGLJAWWBYYNW-CYBMUJFWSA-N 0 0 436.903 3.638 50 0 IHAARN COc1ccc([C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000021894401 525116004 /nfs/dbraw/zinc/11/60/04/525116004.db2.gz QMVSVQYYTKVXDT-QHCPKHFHSA-N 0 0 429.476 3.989 50 0 IHAARN C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1nnc2ccccn21 ZINC000069516268 525119203 /nfs/dbraw/zinc/11/92/03/525119203.db2.gz HDFRTEZWUPSGES-CYBMUJFWSA-N 0 0 425.286 3.901 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000022296320 525127067 /nfs/dbraw/zinc/12/70/67/525127067.db2.gz RSYHFVJLXYXRMO-ZACQAIPSSA-N 0 0 430.574 3.874 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000022296322 525127341 /nfs/dbraw/zinc/12/73/41/525127341.db2.gz RSYHFVJLXYXRMO-BBWFWOEESA-N 0 0 430.574 3.874 50 0 IHAARN CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012902867 525161687 /nfs/dbraw/zinc/16/16/87/525161687.db2.gz DMTRLRYJQHKXLQ-UHFFFAOYSA-N 0 0 443.956 3.709 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000021809701 525201652 /nfs/dbraw/zinc/20/16/52/525201652.db2.gz XCPGMEXDGPUGCC-UZUQRXQVSA-N 0 0 429.586 3.935 50 0 IHAARN Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl ZINC000012689011 525218105 /nfs/dbraw/zinc/21/81/05/525218105.db2.gz PLEZGBJXKWKUFL-QFBILLFUSA-N 0 0 429.904 3.662 50 0 IHAARN COc1ccc([C@@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)c(OC)c1 ZINC000035143128 525234498 /nfs/dbraw/zinc/23/44/98/525234498.db2.gz KRKDVEYNDBKVTD-INIZCTEOSA-N 0 0 444.281 3.798 50 0 IHAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000012437647 525235567 /nfs/dbraw/zinc/23/55/67/525235567.db2.gz GOYDXHZBCPFFIH-BZZOAKBMSA-N 0 0 433.489 3.788 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000012615507 525241170 /nfs/dbraw/zinc/24/11/70/525241170.db2.gz IRZLJXAGXCJPCI-UHFFFAOYSA-N 0 0 438.914 3.681 50 0 IHAARN Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)no1 ZINC000012850209 525246874 /nfs/dbraw/zinc/24/68/74/525246874.db2.gz DDFJYQHTLVVOIU-UHFFFAOYSA-N 0 0 431.901 3.636 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000012903310 525248670 /nfs/dbraw/zinc/24/86/70/525248670.db2.gz GEHBPVXNUWOOGI-UHFFFAOYSA-N 0 0 449.884 3.854 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000012880580 525264635 /nfs/dbraw/zinc/26/46/35/525264635.db2.gz LYOYPQXBDZHPJM-UHFFFAOYSA-N 0 0 425.547 3.753 50 0 IHAARN CS(=O)(=O)c1ccccc1C(=O)Nc1c2c(nn1-c1nc3ccccc3s1)CCC2 ZINC000035596711 525275555 /nfs/dbraw/zinc/27/55/55/525275555.db2.gz GMSNRSPOLIGCHB-UHFFFAOYSA-N 0 0 438.534 3.627 50 0 IHAARN C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc2c(c1)OCCO2 ZINC000018108994 525341430 /nfs/dbraw/zinc/34/14/30/525341430.db2.gz FPHPHRJJMUCMBT-MRXNPFEDSA-N 0 0 442.471 3.745 50 0 IHAARN COc1ccc([C@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2cccc2)cc1 ZINC000020997591 525342668 /nfs/dbraw/zinc/34/26/68/525342668.db2.gz MTFSBCOFHHCNIM-QHCPKHFHSA-N 0 0 447.535 3.549 50 0 IHAARN CSCC(=O)N1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000015006413 525344615 /nfs/dbraw/zinc/34/46/15/525344615.db2.gz KVVOXDAZTQFLCY-HSZRJFAPSA-N 0 0 437.609 3.899 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000012565812 525404624 /nfs/dbraw/zinc/40/46/24/525404624.db2.gz IOFLXVTUAWGFCC-HSZRJFAPSA-N 0 0 439.471 3.669 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000012822536 525409035 /nfs/dbraw/zinc/40/90/35/525409035.db2.gz HATPOEDPRSEQBW-JOCHJYFZSA-N 0 0 428.554 3.993 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062239 525422606 /nfs/dbraw/zinc/42/26/06/525422606.db2.gz RIMBRDDMPHFJAE-RTWAWAEBSA-N 0 0 442.943 3.835 50 0 IHAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccs2)ccc1F ZINC000020604202 525426374 /nfs/dbraw/zinc/42/63/74/525426374.db2.gz IQTJWOMSZNFYAT-FQEVSTJZSA-N 0 0 447.509 3.869 50 0 IHAARN COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)CC3=O)c2c1 ZINC000020585126 525489779 /nfs/dbraw/zinc/48/97/79/525489779.db2.gz MBLGIFRHEOKTGL-AWEZNQCLSA-N 0 0 429.879 3.999 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1C ZINC000021820797 525501684 /nfs/dbraw/zinc/50/16/84/525501684.db2.gz NOSLXYXFIOJDLI-UHFFFAOYSA-N 0 0 431.535 3.896 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000036773037 525501800 /nfs/dbraw/zinc/50/18/00/525501800.db2.gz UQYSRBNWAQLCOC-UHFFFAOYSA-N 0 0 449.532 3.715 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)C2)s1 ZINC000012858222 525535304 /nfs/dbraw/zinc/53/53/04/525535304.db2.gz HVSHUQRIZMCHFY-OCCSQVGLSA-N 0 0 439.628 3.677 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N1CCC(C)CC1)C2 ZINC000035911115 525550901 /nfs/dbraw/zinc/55/09/01/525550901.db2.gz DVPBVVNZKMDXAN-UKILVPOCSA-N 0 0 437.559 3.960 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012565976 525593951 /nfs/dbraw/zinc/59/39/51/525593951.db2.gz IIMPPFQWKNZRMI-DAYGRLMNSA-N 0 0 440.993 3.524 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(F)c(F)c1 ZINC000035535042 525600444 /nfs/dbraw/zinc/60/04/44/525600444.db2.gz ADBUMNBWRSDXCZ-UHFFFAOYSA-N 0 0 449.413 3.553 50 0 IHAARN COc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2CCc1ccccc1 ZINC000020592051 525604325 /nfs/dbraw/zinc/60/43/25/525604325.db2.gz YRXAFHNIFVPYRK-UHFFFAOYSA-N 0 0 449.580 3.655 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(C)cc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535223 525604728 /nfs/dbraw/zinc/60/47/28/525604728.db2.gz FCIXQSSUIGZMFS-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(F)cc1F)cc(C(=O)c1ccncc1)c2=O ZINC000035535243 525606409 /nfs/dbraw/zinc/60/64/09/525606409.db2.gz PQYHZVPPCVJKLA-UHFFFAOYSA-N 0 0 449.413 3.553 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000033067992 525607064 /nfs/dbraw/zinc/60/70/64/525607064.db2.gz JPXKCCUCEJAHFD-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000020606598 525613271 /nfs/dbraw/zinc/61/32/71/525613271.db2.gz YFXVWHXCZMLBIG-KRWDZBQOSA-N 0 0 435.267 3.932 50 0 IHAARN COc1ccc2cc([C@@H](C)C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc2c1 ZINC000012934844 525636328 /nfs/dbraw/zinc/63/63/28/525636328.db2.gz BNERVIVWZDHUQL-MRXNPFEDSA-N 0 0 438.549 3.792 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5ccsc5)no4)C3=O)ccc2c1 ZINC000009516376 525638694 /nfs/dbraw/zinc/63/86/94/525638694.db2.gz AOJBMZOCNYOZGJ-JOCHJYFZSA-N 0 0 434.477 3.927 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccccc4C)c3)cc(=O)n2o1 ZINC000041089567 525670405 /nfs/dbraw/zinc/67/04/05/525670405.db2.gz VZKUSBJJUDJEKI-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4F)c3C)cc(=O)n2o1 ZINC000041089621 525672772 /nfs/dbraw/zinc/67/27/72/525672772.db2.gz NIEGHUPMQQNIRJ-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccc(C)cc3)cc(=O)n2o1 ZINC000035448101 525674763 /nfs/dbraw/zinc/67/47/63/525674763.db2.gz WCOYYOWPCZXQOA-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12 ZINC000020947498 525678832 /nfs/dbraw/zinc/67/88/32/525678832.db2.gz UQMBHZJZDWWMGJ-AWEZNQCLSA-N 0 0 438.915 3.798 50 0 IHAARN Cc1cc2nn(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=S)n2c2ccccc12 ZINC000022917987 525688806 /nfs/dbraw/zinc/68/88/06/525688806.db2.gz HPVUACOPGDVCBA-UHFFFAOYSA-N 0 0 447.564 3.831 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCc2ccc(C)cc2)c(C)n3C)c1 ZINC000035448517 525711490 /nfs/dbraw/zinc/71/14/90/525711490.db2.gz RPRUOUSGDUWEAQ-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2OC)c(C)n3C)c1 ZINC000035448623 525711538 /nfs/dbraw/zinc/71/15/38/525711538.db2.gz OAYVWHZFXRMCEL-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN COc1cccc(-c2nc(C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cs2)c1OC ZINC000065489452 525723140 /nfs/dbraw/zinc/72/31/40/525723140.db2.gz DLZYQIMNKGQBDY-GOSISDBHSA-N 0 0 437.521 3.531 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1C ZINC000041254975 525745950 /nfs/dbraw/zinc/74/59/50/525745950.db2.gz GMSGJXSCJABUSY-UHFFFAOYSA-N 0 0 440.341 3.996 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000035483382 525800103 /nfs/dbraw/zinc/80/01/03/525800103.db2.gz JTTQOABTTMODII-QGZVFWFLSA-N 0 0 426.473 3.915 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(F)ccc4F)n3n2)cc1 ZINC000020614905 525826875 /nfs/dbraw/zinc/82/68/75/525826875.db2.gz GHFYQZPZUNIBQF-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN Cc1ccsc1CN(C(=O)C1=C(c2ccccc2)SCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000020728586 525834366 /nfs/dbraw/zinc/83/43/66/525834366.db2.gz IWGFWEMJILFWJB-KRWDZBQOSA-N 0 0 449.619 3.704 50 0 IHAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000024830020 525856467 /nfs/dbraw/zinc/85/64/67/525856467.db2.gz OWPCMMCKPWKTMO-UHFFFAOYSA-N 0 0 441.988 3.853 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@H](c3ccccc3OC)C2)c1 ZINC000035962514 525857321 /nfs/dbraw/zinc/85/73/21/525857321.db2.gz NIVADNSGPTYDET-QFIPXVFZSA-N 0 0 435.524 3.640 50 0 IHAARN COc1cccc(CC2=NO[C@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 ZINC000012099340 525877158 /nfs/dbraw/zinc/87/71/58/525877158.db2.gz HKOAFLWBDPITQA-MBSDFSHPSA-N 0 0 426.488 3.839 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)c1ccccc1 ZINC000021841642 525881262 /nfs/dbraw/zinc/88/12/62/525881262.db2.gz STWBLQASPBYAEQ-HNNXBMFYSA-N 0 0 435.446 3.912 50 0 IHAARN C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CCCC1 ZINC000014753587 525889485 /nfs/dbraw/zinc/88/94/85/525889485.db2.gz UCTUZDRXYNTOJG-INIZCTEOSA-N 0 0 428.554 3.856 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018160308 525926166 /nfs/dbraw/zinc/92/61/66/525926166.db2.gz GBFNYTDCNGUPAK-MRXNPFEDSA-N 0 0 436.961 3.598 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c3=O)c(C)c1 ZINC000016047561 525933676 /nfs/dbraw/zinc/93/36/76/525933676.db2.gz ZDDKFOORFNUETI-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000012755291 525954403 /nfs/dbraw/zinc/95/44/03/525954403.db2.gz UYJXQRPEOAFBAE-UHFFFAOYSA-N 0 0 429.879 3.930 50 0 IHAARN COc1cccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000021040146 525954630 /nfs/dbraw/zinc/95/46/30/525954630.db2.gz HZXCDGDXSRPKNN-UHFFFAOYSA-N 0 0 433.531 3.509 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)N2CCOCC2)o1 ZINC000040132003 525959481 /nfs/dbraw/zinc/95/94/81/525959481.db2.gz SSSUXELEPPSDMZ-UGKGYDQZSA-N 0 0 435.524 3.926 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCN1CCOCC1)occ3C(C)(C)C ZINC000020567182 525961071 /nfs/dbraw/zinc/96/10/71/525961071.db2.gz ZYXWXXICTSBANO-UHFFFAOYSA-N 0 0 440.540 3.526 50 0 IHAARN C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1sc2ccccc2c1=O ZINC000020467327 525981908 /nfs/dbraw/zinc/98/19/08/525981908.db2.gz KZEFDPZRWHJRKN-CQSZACIVSA-N 0 0 435.471 3.992 50 0 IHAARN Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccccc2-n2cccn2)C3)n1 ZINC000012029643 525983869 /nfs/dbraw/zinc/98/38/69/525983869.db2.gz DSIDSZHJZMODJJ-IBGZPJMESA-N 0 0 443.482 3.819 50 0 IHAARN C[C@H](Sc1n[nH]c(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000021261887 526000916 /nfs/dbraw/zinc/00/09/16/526000916.db2.gz LJQGWWZKRQZPFG-NSHDSACASA-N 0 0 432.889 3.885 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1ccc(C)cc1 ZINC000035911577 526036975 /nfs/dbraw/zinc/03/69/75/526036975.db2.gz DPCMAUWZTPOHSF-UHFFFAOYSA-N 0 0 435.553 3.601 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000016234836 526041120 /nfs/dbraw/zinc/04/11/20/526041120.db2.gz KYCYJCHMTWPUDC-OAHLLOKOSA-N 0 0 426.904 3.844 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)c2C)no1 ZINC000016694677 526069358 /nfs/dbraw/zinc/06/93/58/526069358.db2.gz DKSOFSPIRBZKQO-ZDUSSCGKSA-N 0 0 427.423 3.737 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000012916743 526080775 /nfs/dbraw/zinc/08/07/75/526080775.db2.gz KATKAYJUDLAKGZ-GOSISDBHSA-N 0 0 440.503 3.868 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3nc(C4CC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035990679 526116990 /nfs/dbraw/zinc/11/69/90/526116990.db2.gz XJXLHMGMJWGELI-UHFFFAOYSA-N 0 0 438.535 3.964 50 0 IHAARN Cc1cc(=O)c(C(=O)NCc2nccs2)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000012243437 526131152 /nfs/dbraw/zinc/13/11/52/526131152.db2.gz ZNPZYZBTFKQHPQ-UHFFFAOYSA-N 0 0 444.560 3.772 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)nn1-c1ccc(Cl)cc1 ZINC000012765684 526133237 /nfs/dbraw/zinc/13/32/37/526133237.db2.gz ULCNQNANIZJRCP-UHFFFAOYSA-N 0 0 441.278 3.681 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847564 526137587 /nfs/dbraw/zinc/13/75/87/526137587.db2.gz GOTUYZQKTHVJJQ-CQSZACIVSA-N 0 0 436.339 3.867 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(C(=O)NCc4ccc(F)cc4)cs3)CC2)c1 ZINC000034685454 526154308 /nfs/dbraw/zinc/15/43/08/526154308.db2.gz PSHHKVZBWOESOA-UHFFFAOYSA-N 0 0 440.544 3.543 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4c(C)noc4C)ccc3C)CC2)c1 ZINC000021152039 526154373 /nfs/dbraw/zinc/15/43/73/526154373.db2.gz IYFXSBWEQUHULS-UHFFFAOYSA-N 0 0 441.553 3.786 50 0 IHAARN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 ZINC000022908194 526167153 /nfs/dbraw/zinc/16/71/53/526167153.db2.gz UJBRDTAVVXVEAJ-NRFANRHFSA-N 0 0 435.549 3.611 50 0 IHAARN COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)c1 ZINC000015071793 526168789 /nfs/dbraw/zinc/16/87/89/526168789.db2.gz MWJYKHCNBBXFBK-UHFFFAOYSA-N 0 0 434.533 3.962 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1csc(-c2ccccn2)n1 ZINC000012916361 526169288 /nfs/dbraw/zinc/16/92/88/526169288.db2.gz BCYHEAYYDKYNQJ-UHFFFAOYSA-N 0 0 445.342 3.573 50 0 IHAARN CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000012908936 526173111 /nfs/dbraw/zinc/17/31/11/526173111.db2.gz WMVKWXJUXYHQAD-LRTDBIEQSA-N 0 0 428.535 3.908 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 ZINC000035483885 526180633 /nfs/dbraw/zinc/18/06/33/526180633.db2.gz CRFWNSPMWPSGID-UHFFFAOYSA-N 0 0 430.493 3.783 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1 ZINC000021089327 526180703 /nfs/dbraw/zinc/18/07/03/526180703.db2.gz ILOMQGFCOZAUBG-HNNXBMFYSA-N 0 0 438.509 3.638 50 0 IHAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc3c(c2)OCO3)c1 ZINC000016960470 526185973 /nfs/dbraw/zinc/18/59/73/526185973.db2.gz MBZQQMVOVLAVBJ-UHFFFAOYSA-N 0 0 435.484 3.981 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000012759383 526218590 /nfs/dbraw/zinc/21/85/90/526218590.db2.gz BSJYMANBALXOJZ-GOSISDBHSA-N 0 0 443.503 3.759 50 0 IHAARN O=C(NCCCc1ccccc1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423280 526278695 /nfs/dbraw/zinc/27/86/95/526278695.db2.gz CBQMUVIOGVLXKK-UHFFFAOYSA-N 0 0 426.476 3.653 50 0 IHAARN Cc1nn(CCCC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866299 526278806 /nfs/dbraw/zinc/27/88/06/526278806.db2.gz VICXIQWADMXKDB-UHFFFAOYSA-N 0 0 432.524 3.812 50 0 IHAARN O[C@H](COc1ccc(Oc2ccccc2)cc1)Cn1nc(N2CCOCC2)sc1=S ZINC000058158004 526289000 /nfs/dbraw/zinc/28/90/00/526289000.db2.gz ABGODDZCJIPNEA-INIZCTEOSA-N 0 0 445.566 3.743 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012792095 526290067 /nfs/dbraw/zinc/29/00/67/526290067.db2.gz VZOINIDGNREZPZ-UHFFFAOYSA-N 0 0 446.960 3.704 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000023731801 526297834 /nfs/dbraw/zinc/29/78/34/526297834.db2.gz VDTJGMYYDKKMIQ-UHFFFAOYSA-N 0 0 449.942 3.570 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(F)c3)c12 ZINC000012804601 526305862 /nfs/dbraw/zinc/30/58/62/526305862.db2.gz XCOBXGZHUCQJGL-MRXNPFEDSA-N 0 0 442.516 3.677 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(Cl)cc1Cl ZINC000012443222 526359279 /nfs/dbraw/zinc/35/92/79/526359279.db2.gz RFSSBSRTZCXGDC-UHFFFAOYSA-N 0 0 428.279 3.907 50 0 IHAARN O=C(CCC1=NNC(=O)CC1)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015074494 526393180 /nfs/dbraw/zinc/39/31/80/526393180.db2.gz IOIGBTFIZAWYRJ-LJQANCHMSA-N 0 0 433.508 3.946 50 0 IHAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000021543479 526424815 /nfs/dbraw/zinc/42/48/15/526424815.db2.gz WRRTTWQEFJNVTB-LJQANCHMSA-N 0 0 432.457 3.567 50 0 IHAARN O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017155676 526424883 /nfs/dbraw/zinc/42/48/83/526424883.db2.gz BPQYWYWWQFXNOS-UHFFFAOYSA-N 0 0 448.447 3.761 50 0 IHAARN Cc1noc(-c2ccc(C(=O)OCCCOC(=O)c3ccc(-c4nc(C)no4)cc3)cc2)n1 ZINC000012782669 526449889 /nfs/dbraw/zinc/44/98/89/526449889.db2.gz GFOUVOSSZYZHLY-UHFFFAOYSA-N 0 0 448.435 3.807 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000012932636 526481378 /nfs/dbraw/zinc/48/13/78/526481378.db2.gz OVIKQUDEBSYGFR-UHFFFAOYSA-N 0 0 431.423 3.703 50 0 IHAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000021215885 526492714 /nfs/dbraw/zinc/49/27/14/526492714.db2.gz KRDMSXDNEZOXEI-SFHVURJKSA-N 0 0 426.314 3.967 50 0 IHAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2ccccc2)CC1 ZINC000020603482 526496292 /nfs/dbraw/zinc/49/62/92/526496292.db2.gz JVMDBLBJFKBAPO-UHFFFAOYSA-N 0 0 444.560 3.932 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000022328273 526521870 /nfs/dbraw/zinc/52/18/70/526521870.db2.gz UWOCLATYYDWKER-UHFFFAOYSA-N 0 0 441.509 3.663 50 0 IHAARN O=C([C@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1)N1CCc2ccccc21 ZINC000021885242 526525809 /nfs/dbraw/zinc/52/58/09/526525809.db2.gz YIHYZZMCOXIHSE-IBGZPJMESA-N 0 0 428.492 3.946 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000021065459 526529879 /nfs/dbraw/zinc/52/98/79/526529879.db2.gz JGCBJRFGIICEPZ-GASCZTMLSA-N 0 0 432.590 3.596 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2Oc2ccccc2)CC1 ZINC000023907764 526551355 /nfs/dbraw/zinc/55/13/55/526551355.db2.gz RPRWFKJGYDLUPQ-UHFFFAOYSA-N 0 0 427.526 3.590 50 0 IHAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)c1noc(CN(C)C)n1 ZINC000065417542 526573495 /nfs/dbraw/zinc/57/34/95/526573495.db2.gz BSTIHJBRUKSJOW-UHFFFAOYSA-N 0 0 425.967 3.943 50 0 IHAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000021940935 526592836 /nfs/dbraw/zinc/59/28/36/526592836.db2.gz KCZNUPGIYASIBF-UHFFFAOYSA-N 0 0 441.535 3.640 50 0 IHAARN O=C(c1cc(=O)c(OCc2ccc(Cl)cc2)co1)N1CCN(Cc2ccccc2)CC1 ZINC000021196781 526599289 /nfs/dbraw/zinc/59/92/89/526599289.db2.gz UQYULGFHPJKRIJ-UHFFFAOYSA-N 0 0 438.911 3.830 50 0 IHAARN O=C(CCc1ccccc1)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000021632666 526610166 /nfs/dbraw/zinc/61/01/66/526610166.db2.gz GIZWZQIMCBMSLP-UHFFFAOYSA-N 0 0 433.489 3.684 50 0 IHAARN O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012907147 526610511 /nfs/dbraw/zinc/61/05/11/526610511.db2.gz MFVHJULTDIFUAX-UHFFFAOYSA-N 0 0 436.936 3.505 50 0 IHAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2ccccc2F)CC1 ZINC000022431667 526657783 /nfs/dbraw/zinc/65/77/83/526657783.db2.gz BVHCACWBOLMWKV-UHFFFAOYSA-N 0 0 439.453 3.932 50 0 IHAARN O=C(c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)N1CCN(c2ncccn2)CC1 ZINC000020730455 526658188 /nfs/dbraw/zinc/65/81/88/526658188.db2.gz DOBPJLFVOKLGKQ-LTGZKZEYSA-N 0 0 443.532 3.524 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000020864884 526659340 /nfs/dbraw/zinc/65/93/40/526659340.db2.gz WBLAVNHUZCRLHM-UHFFFAOYSA-N 0 0 431.945 3.538 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885305 526672816 /nfs/dbraw/zinc/67/28/16/526672816.db2.gz VEDZAIUYQNUZDP-GOSISDBHSA-N 0 0 434.471 3.813 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000016962302 526674099 /nfs/dbraw/zinc/67/40/99/526674099.db2.gz AOPTVWPKVBPHOP-AWEZNQCLSA-N 0 0 438.899 3.929 50 0 IHAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21)N1CCOCC1 ZINC000035460491 526682079 /nfs/dbraw/zinc/68/20/79/526682079.db2.gz OGSQTGUONRDMMR-UHFFFAOYSA-N 0 0 437.887 3.656 50 0 IHAARN O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC(c1ccccc1)c1ccccc1 ZINC000012440184 526682528 /nfs/dbraw/zinc/68/25/28/526682528.db2.gz CHJGNKVNYIPTHT-UHFFFAOYSA-N 0 0 449.514 3.878 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(N2CCCC2)cc1 ZINC000012511978 526683478 /nfs/dbraw/zinc/68/34/78/526683478.db2.gz OUVCHEBWRKMQOR-UHFFFAOYSA-N 0 0 441.329 3.788 50 0 IHAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1cccc(Cl)c1 ZINC000020574688 526684495 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O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012795075 526727167 /nfs/dbraw/zinc/72/71/67/526727167.db2.gz JGXIKWSVVFXTIL-UHFFFAOYSA-N 0 0 448.563 3.938 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035458501 526738520 /nfs/dbraw/zinc/73/85/20/526738520.db2.gz COUYERFSZGCHEE-DEOSSOPVSA-N 0 0 439.515 3.768 50 0 IHAARN O=C(NCc1ccccc1F)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012608772 526751941 /nfs/dbraw/zinc/75/19/41/526751941.db2.gz IIJKUGSXGKYZMJ-UHFFFAOYSA-N 0 0 435.908 3.890 50 0 IHAARN O=C(NCc1ccccc1F)[C@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012748902 526752227 /nfs/dbraw/zinc/75/22/27/526752227.db2.gz FFIUCHCCYUAVLB-YLJYHZDGSA-N 0 0 449.345 3.795 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000012745532 526766610 /nfs/dbraw/zinc/76/66/10/526766610.db2.gz DTVPFOOILKOOIM-OAQYLSRUSA-N 0 0 447.560 3.673 50 0 IHAARN O=C(c1cccc(I)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015591337 526768295 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O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F ZINC000012745420 526819720 /nfs/dbraw/zinc/81/97/20/526819720.db2.gz ZUBCOPVCPKWXGU-HXUWFJFHSA-N 0 0 431.895 3.698 50 0 IHAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc(Br)s1 ZINC000020820238 526830060 /nfs/dbraw/zinc/83/00/60/526830060.db2.gz GOPDIKFNZBTJND-UHFFFAOYSA-N 0 0 440.359 3.569 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 ZINC000247778774 526831797 /nfs/dbraw/zinc/83/17/97/526831797.db2.gz ZLODGQSEXIHXBD-CZYKHXBRSA-N 0 0 428.419 3.817 50 0 IHAARN O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000012389712 526862455 /nfs/dbraw/zinc/86/24/55/526862455.db2.gz VMVPZMIEYPFXMM-UHFFFAOYSA-N 0 0 434.323 3.601 50 0 IHAARN O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000012593242 526865324 /nfs/dbraw/zinc/86/53/24/526865324.db2.gz JQLNFPZOFOSHAE-UHFFFAOYSA-N 0 0 438.491 3.583 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCCC2)cs1)c1ccco1 ZINC000022289383 526865202 /nfs/dbraw/zinc/86/52/02/526865202.db2.gz DSMIKXPDJWVZJE-IBGZPJMESA-N 0 0 438.553 3.702 50 0 IHAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000035554912 526865500 /nfs/dbraw/zinc/86/55/00/526865500.db2.gz ICDCQFYBPHCAND-LBPRGKRZSA-N 0 0 446.554 3.598 50 0 IHAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N(CCO)CC12CC3CC(CC(C3)C1)C2 ZINC000012591672 526865759 /nfs/dbraw/zinc/86/57/59/526865759.db2.gz QQXYJQAXRLOVMP-UHFFFAOYSA-N 0 0 428.964 3.631 50 0 IHAARN NC(=O)CCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1 ZINC000012818528 526867568 /nfs/dbraw/zinc/86/75/68/526867568.db2.gz LZXIZRJJFOTKSZ-JOCHJYFZSA-N 0 0 425.579 3.666 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(c1ccccc1)c1ccccc1 ZINC000015881867 526878042 /nfs/dbraw/zinc/87/80/42/526878042.db2.gz ZYGGLDGEWOJPAZ-HXUWFJFHSA-N 0 0 428.488 3.511 50 0 IHAARN Cc1sc(NC(=O)c2nc3nccc(C)n3n2)nc1-c1ccc(Br)cc1 ZINC000012873637 526885058 /nfs/dbraw/zinc/88/50/58/526885058.db2.gz MPEDJRUQQLGWHJ-UHFFFAOYSA-N 0 0 429.303 3.879 50 0 IHAARN O=C(c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1)N1CCCCCC1 ZINC000015006509 526889251 /nfs/dbraw/zinc/88/92/51/526889251.db2.gz PQANJIVKZREUGK-UHFFFAOYSA-N 0 0 431.496 3.952 50 0 IHAARN NC(=O)Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 ZINC000012568868 526910138 /nfs/dbraw/zinc/91/01/38/526910138.db2.gz IKEZJFJFQUZFDI-UHFFFAOYSA-N 0 0 438.534 3.651 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000012500243 526915001 /nfs/dbraw/zinc/91/50/01/526915001.db2.gz NIXPTSQTLDZARF-UHFFFAOYSA-N 0 0 439.293 3.533 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)N(c1ccccc1)C1CCCCC1 ZINC000012803921 526915588 /nfs/dbraw/zinc/91/55/88/526915588.db2.gz SQMYCXVXFIRDFR-UHFFFAOYSA-N 0 0 445.519 3.865 50 0 IHAARN O=C(COc1c(CO)cc(F)cc1CO)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012897902 526942167 /nfs/dbraw/zinc/94/21/67/526942167.db2.gz HDVZICSSTREVPR-QFIPXVFZSA-N 0 0 429.875 3.748 50 0 IHAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)nc1 ZINC000021589978 526943590 /nfs/dbraw/zinc/94/35/90/526943590.db2.gz KIHZWKBULBWIIB-UHFFFAOYSA-N 0 0 449.351 3.973 50 0 IHAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000012864282 526945656 /nfs/dbraw/zinc/94/56/56/526945656.db2.gz IWUZQZGLZRNHSL-OWJWWREXSA-N 0 0 445.943 3.858 50 0 biogenic IHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015199044 526947107 /nfs/dbraw/zinc/94/71/07/526947107.db2.gz ANZMTJWHFAJGFQ-LJQANCHMSA-N 0 0 434.558 3.967 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000033311613 526957854 /nfs/dbraw/zinc/95/78/54/526957854.db2.gz KXDVZUHYHDUZPJ-LJQANCHMSA-N 0 0 440.515 3.758 50 0 IHAARN O=C1C2=C(CN1CCc1ccccc1)NC(=O)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000012346500 526958478 /nfs/dbraw/zinc/95/84/78/526958478.db2.gz DQORPWVNITZLES-RUZDIDTESA-N 0 0 439.515 3.959 50 0 IHAARN O=C(COc1cccc(Cl)c1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012766037 526975923 /nfs/dbraw/zinc/97/59/23/526975923.db2.gz ZURNHOKUJAZUKW-UHFFFAOYSA-N 0 0 434.945 3.770 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000009666270 526981103 /nfs/dbraw/zinc/98/11/03/526981103.db2.gz HCPYONMDGVNWNI-INIZCTEOSA-N 0 0 441.578 3.991 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@H]2CCCO2)c1C ZINC000020990504 527023154 /nfs/dbraw/zinc/02/31/54/527023154.db2.gz WLUUINYZZOPGAS-TZIWHRDSSA-N 0 0 428.602 3.508 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCCc1ccccc1 ZINC000032987149 527030147 /nfs/dbraw/zinc/03/01/47/527030147.db2.gz HLJOVMLXBJBHFG-UHFFFAOYSA-N 0 0 444.557 3.912 50 0 IHAARN NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3F)n2)cc1 ZINC000016523938 527035951 /nfs/dbraw/zinc/03/59/51/527035951.db2.gz KKAQUEIFMBEENZ-UHFFFAOYSA-N 0 0 437.438 3.691 50 0 IHAARN O=C1N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000012636190 527039687 /nfs/dbraw/zinc/03/96/87/527039687.db2.gz VWYILPZCEBAWJO-JKSUJKDBSA-N 0 0 430.835 3.971 50 0 IHAARN O=C(CSc1ccccc1)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1 ZINC000034904846 527040996 /nfs/dbraw/zinc/04/09/96/527040996.db2.gz NZXHAFJJYYNYJR-UHFFFAOYSA-N 0 0 428.945 3.827 50 0 IHAARN O=C(CSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)NCc1ccco1 ZINC000012911864 527042976 /nfs/dbraw/zinc/04/29/76/527042976.db2.gz CVVXFRYGMGFFAP-UHFFFAOYSA-N 0 0 449.576 3.646 50 0 IHAARN Cn1c(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)nnc1SC[C@@H]1CCCO1 ZINC000012217495 527049168 /nfs/dbraw/zinc/04/91/68/527049168.db2.gz WMQQDHUMFRNYMK-KRWDZBQOSA-N 0 0 434.993 3.520 50 0 IHAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2)Nc1cc(F)ccc1F ZINC000021810286 527056475 /nfs/dbraw/zinc/05/64/75/527056475.db2.gz CAURJFAHPXSVNP-UHFFFAOYSA-N 0 0 442.491 3.750 50 0 IHAARN O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012689113 527064108 /nfs/dbraw/zinc/06/41/08/527064108.db2.gz JNYQSDGTNQJOOG-UHFFFAOYSA-N 0 0 433.580 3.812 50 0 IHAARN O=C(CSc1ncccc1C(=O)NCc1cccs1)Nc1ccc2c(c1)OCO2 ZINC000009442607 527069512 /nfs/dbraw/zinc/06/95/12/527069512.db2.gz RYVSYPAQHSHJSX-UHFFFAOYSA-N 0 0 427.507 3.533 50 0 IHAARN O=C(CSc1ncnc2sccc21)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012745770 527075407 /nfs/dbraw/zinc/07/54/07/527075407.db2.gz CTSNJUJNULYTMN-UHFFFAOYSA-N 0 0 426.567 3.726 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1c[nH]c2ccccc12 ZINC000035447946 527089270 /nfs/dbraw/zinc/08/92/70/527089270.db2.gz HWAIPAALCKHFPN-UHFFFAOYSA-N 0 0 437.431 3.615 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012594977 527091604 /nfs/dbraw/zinc/09/16/04/527091604.db2.gz VMDSURSMCAFCRD-IBGZPJMESA-N 0 0 436.537 3.884 50 0 IHAARN Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990626 527099538 /nfs/dbraw/zinc/09/95/38/527099538.db2.gz MDKUQJFGMHHFBL-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN NC(=O)c1ncn2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Br)cc1 ZINC000012757934 527104626 /nfs/dbraw/zinc/10/46/26/527104626.db2.gz ZRORSTRCBRVFDP-UHFFFAOYSA-N 0 0 436.269 3.510 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1SC(F)F ZINC000012824757 527130556 /nfs/dbraw/zinc/13/05/56/527130556.db2.gz ZGWSRFBPECBIOL-UHFFFAOYSA-N 0 0 428.482 3.744 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000009663941 527130765 /nfs/dbraw/zinc/13/07/65/527130765.db2.gz KKBUXYHBGFEJOT-UHFFFAOYSA-N 0 0 445.475 3.913 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2ccc(OCCO)cc2Br)N1CC(F)(F)F ZINC000022195871 527133897 /nfs/dbraw/zinc/13/38/97/527133897.db2.gz NYKPAWRJTARBMO-MRXNPFEDSA-N 0 0 445.235 3.949 50 0 IHAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 ZINC000020850678 527145562 /nfs/dbraw/zinc/14/55/62/527145562.db2.gz IOONTJVPAYFSEJ-HSZRJFAPSA-N 0 0 438.524 3.820 50 0 IHAARN O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(I)c1 ZINC000012770809 527146021 /nfs/dbraw/zinc/14/60/21/527146021.db2.gz ZRONUBXHFUNVEK-UHFFFAOYSA-N 0 0 431.237 3.532 50 0 IHAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 ZINC000020850158 527187328 /nfs/dbraw/zinc/18/73/28/527187328.db2.gz OWDDGSPKHABMFO-QFIPXVFZSA-N 0 0 430.545 3.953 50 0 IHAARN Cc1nc2sc3c(ncnc3NCCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020442700 527208383 /nfs/dbraw/zinc/20/83/83/527208383.db2.gz BVYRELBHAODQHB-UHFFFAOYSA-N 0 0 427.574 3.533 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000022550616 527208445 /nfs/dbraw/zinc/20/84/45/527208445.db2.gz RBMNUEWMYSAAIV-UHFFFAOYSA-N 0 0 425.876 3.671 50 0 IHAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012738150 527226920 /nfs/dbraw/zinc/22/69/20/527226920.db2.gz RZYFVWIKZXKKRS-MQVJKMGUSA-N 0 0 438.640 3.778 50 0 IHAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000012879566 527231268 /nfs/dbraw/zinc/23/12/68/527231268.db2.gz AAPZAVILYRZWBX-UHFFFAOYSA-N 0 0 448.894 3.670 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCC(=O)c1ccccc1 ZINC000022034772 527237198 /nfs/dbraw/zinc/23/71/98/527237198.db2.gz WLDQSPPSBVXHMP-UHFFFAOYSA-N 0 0 427.453 3.595 50 0 IHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012420584 527270047 /nfs/dbraw/zinc/27/00/47/527270047.db2.gz YWFGLYMPAXUXDS-UHFFFAOYSA-N 0 0 442.581 3.970 50 0 IHAARN O=C(Nc1ccc2c(c1)CN(Cc1ccccc1F)C(=O)CO2)c1cnc2ccccc2n1 ZINC000035909100 527278551 /nfs/dbraw/zinc/27/85/51/527278551.db2.gz DVFHUYQNWGFJQZ-UHFFFAOYSA-N 0 0 442.450 3.942 50 0 IHAARN O=S(=O)(c1ccc2nc(N3CCN(c4ccccc4)CC3)ccc2c1)N1CCCCC1 ZINC000021881909 527281469 /nfs/dbraw/zinc/28/14/69/527281469.db2.gz ZCRINRUVOISNTQ-UHFFFAOYSA-N 0 0 436.581 3.736 50 0 IHAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000012361405 527281893 /nfs/dbraw/zinc/28/18/93/527281893.db2.gz LXUATKIUWBYTSI-OAQYLSRUSA-N 0 0 430.913 3.707 50 0 IHAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000015129144 527290331 /nfs/dbraw/zinc/29/03/31/527290331.db2.gz BSXTYGXOWJENGX-UHFFFAOYSA-N 0 0 440.274 3.918 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000033114014 527291314 /nfs/dbraw/zinc/29/13/14/527291314.db2.gz GSPFHQOHORBUOT-UHFFFAOYSA-N 0 0 442.522 3.600 50 0 IHAARN Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000012453686 527316034 /nfs/dbraw/zinc/31/60/34/527316034.db2.gz YXURIXBTHDAXFL-UHFFFAOYSA-N 0 0 441.503 3.787 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898324 527329808 /nfs/dbraw/zinc/32/98/08/527329808.db2.gz IWDDFTSAQNLPTG-UHFFFAOYSA-N 0 0 426.460 3.886 50 0 IHAARN O=C(Cn1c(CO)cnc1SCc1ccc(Br)cc1)NCc1ccccc1 ZINC000017179215 527356316 /nfs/dbraw/zinc/35/63/16/527356316.db2.gz QBAHFNAFAQWIOY-UHFFFAOYSA-N 0 0 446.370 3.747 50 0 IHAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)NCc1ccccc1 ZINC000035399767 527358992 /nfs/dbraw/zinc/35/89/92/527358992.db2.gz YQAFRRLSDDMDSH-UHFFFAOYSA-N 0 0 440.478 3.855 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)ccc21 ZINC000021053478 527374205 /nfs/dbraw/zinc/37/42/05/527374205.db2.gz VUVGAHLWEJZBRE-UHFFFAOYSA-N 0 0 445.972 3.549 50 0 IHAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527187 527417147 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3.503 50 0 IHAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(C(=O)c1ccsc1)CC2 ZINC000012135669 527584778 /nfs/dbraw/zinc/58/47/78/527584778.db2.gz COLCGRGGBAUROY-NRFANRHFSA-N 0 0 438.593 3.855 50 0 IHAARN O=C(/C=C/c1cccc(F)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000024496570 527625239 /nfs/dbraw/zinc/62/52/39/527625239.db2.gz IGXBHGBJDGGAMO-RUDMXATFSA-N 0 0 426.879 3.887 50 0 IHAARN O=C(/C=C\c1ccc(SC(F)(F)F)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000096947853 527655804 /nfs/dbraw/zinc/65/58/04/527655804.db2.gz LKOINNLJTUQJLN-RQTGCPSESA-N 0 0 449.516 3.506 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923189 527663451 /nfs/dbraw/zinc/66/34/51/527663451.db2.gz VREBBJDBYFTXRW-UHFFFAOYSA-N 0 0 439.519 3.806 50 0 IHAARN O=C(NCCCN1CCCc2ccccc21)[C@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289469 527666733 /nfs/dbraw/zinc/66/67/33/527666733.db2.gz HWZBSGMGMAZPIL-NRFANRHFSA-N 0 0 433.600 3.531 50 0 IHAARN C=C1C(N2CCN(c3ccccc3)CC2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009251826 535239292 /nfs/dbraw/zinc/23/92/92/535239292.db2.gz URIJSDRFQHPYMQ-UHFFFAOYSA-N 0 0 446.370 3.744 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1 ZINC000003560377 535326913 /nfs/dbraw/zinc/32/69/13/535326913.db2.gz WWXHQORBZHPDKT-UHFFFAOYSA-N 0 0 445.585 3.586 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1 ZINC000009485077 535998897 /nfs/dbraw/zinc/99/88/97/535998897.db2.gz BOLDGDUTYJAISP-KRWDZBQOSA-N 0 0 437.569 3.921 50 0 IHAARN CCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c2cc(OC)c(OC)cc2c1=O ZINC000004763094 536026846 /nfs/dbraw/zinc/02/68/46/536026846.db2.gz XZWCAAFLNPHGAE-SFHVURJKSA-N 0 0 449.551 3.698 50 0 IHAARN CCc1c(C)nc2ncnn2c1Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000013364795 536072886 /nfs/dbraw/zinc/07/28/86/536072886.db2.gz MZSZKXZPSUXFPN-UHFFFAOYSA-N 0 0 441.967 3.697 50 0 IHAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccccc2OC)cc1 ZINC000009836150 536184139 /nfs/dbraw/zinc/18/41/39/536184139.db2.gz 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CCCc1c(C)c2c(O[C@@H](C)C(=O)OCC)cc(O[C@H](C)C(=O)OCC)cc2oc1=O ZINC000000627796 555513442 /nfs/dbraw/zinc/51/34/42/555513442.db2.gz HWTRYCHJYHYCNK-CABCVRRESA-N 0 0 434.485 3.715 50 0 IHAARN CC(=O)N(CC(=O)Cn1cnc2cc(Cl)c(Cl)cc2c1=O)c1ccc(Cl)cc1 ZINC000000629713 555514313 /nfs/dbraw/zinc/51/43/13/555514313.db2.gz UPNNOEAOKWFFHL-UHFFFAOYSA-N 0 0 438.698 3.979 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c(OC)c1 ZINC000000646430 555521109 /nfs/dbraw/zinc/52/11/09/555521109.db2.gz IJEUSOPOBLEBSW-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000000652381 555523245 /nfs/dbraw/zinc/52/32/45/555523245.db2.gz KOICGAFVTSHABV-UHFFFAOYSA-N 0 0 426.513 3.988 50 0 IHAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)NCc4ccco4)cc3)CCOCC2)cc1 ZINC000000658316 555526072 /nfs/dbraw/zinc/52/60/72/555526072.db2.gz XDACYJGTXAYBCX-UHFFFAOYSA-N 0 0 434.492 3.905 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 ZINC000000665719 555528347 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O=C(CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000000778038 555554535 /nfs/dbraw/zinc/55/45/35/555554535.db2.gz CPKBLHYIIVQGLW-OAHLLOKOSA-N 0 0 437.290 3.592 50 0 IHAARN S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCOCC1 ZINC000000780573 555555069 /nfs/dbraw/zinc/55/50/69/555555069.db2.gz IGJJFMIOJHVPQB-UHFFFAOYSA-N 0 0 428.521 3.783 50 0 IHAARN O=c1c2c3c(sc2ncn1CCn1cnc2sc4c(c2c1=O)CCCC4)CCCC3 ZINC000000783692 555555521 /nfs/dbraw/zinc/55/55/21/555555521.db2.gz UJVRHTGFSZEVGW-UHFFFAOYSA-N 0 0 438.578 3.687 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000000783919 555555752 /nfs/dbraw/zinc/55/57/52/555555752.db2.gz VCANGHRCPOKMBS-UHFFFAOYSA-N 0 0 442.459 3.753 50 0 IHAARN Cc1ccc(NC(=O)CNc2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009336824 555557743 /nfs/dbraw/zinc/55/77/43/555557743.db2.gz XNOIMSCMAVIGOG-UHFFFAOYSA-N 0 0 437.512 3.889 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000000815864 555562132 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IHAARN NC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000000878191 555576824 /nfs/dbraw/zinc/57/68/24/555576824.db2.gz PIVCELIXPXBORJ-UJKMTWAASA-N 0 0 428.875 3.836 50 0 IHAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000910799 555582543 /nfs/dbraw/zinc/58/25/43/555582543.db2.gz RGKLSPLYOXOCEV-UHFFFAOYSA-N 0 0 448.516 3.559 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000000916224 555583518 /nfs/dbraw/zinc/58/35/18/555583518.db2.gz QKRVMHMAJCADNJ-UHFFFAOYSA-N 0 0 431.901 3.578 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000009671729 555586802 /nfs/dbraw/zinc/58/68/02/555586802.db2.gz MZLCLDZKOPFNJA-RMKNXTFCSA-N 0 0 434.414 3.977 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000000951581 555589436 /nfs/dbraw/zinc/58/94/36/555589436.db2.gz RGTZOXLEPYPPPP-ZDUSSCGKSA-N 0 0 440.521 3.674 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000971917 555591755 /nfs/dbraw/zinc/59/17/55/555591755.db2.gz DOFFCYHEAFVVJQ-HNNXBMFYSA-N 0 0 429.428 3.924 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000001033861 555606992 /nfs/dbraw/zinc/60/69/92/555606992.db2.gz DCDKLJWOFRXYQP-MRXNPFEDSA-N 0 0 440.714 3.616 50 0 IHAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCc4ccco4)c3)nn12 ZINC000001061443 555616318 /nfs/dbraw/zinc/61/63/18/555616318.db2.gz KIBDGEKEEADUBL-UHFFFAOYSA-N 0 0 433.493 3.633 50 0 IHAARN COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1Cl ZINC000001061202 555616351 /nfs/dbraw/zinc/61/63/51/555616351.db2.gz KLXXKDKDVDOHQW-FQEVSTJZSA-N 0 0 440.887 3.983 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001064223 555617591 /nfs/dbraw/zinc/61/75/91/555617591.db2.gz CZERINZYHIVXQH-UHFFFAOYSA-N 0 0 440.477 3.501 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000001072245 555621471 /nfs/dbraw/zinc/62/14/71/555621471.db2.gz PSQQZBWYZUUPFB-HNNXBMFYSA-N 0 0 430.888 3.905 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000001075127 555623723 /nfs/dbraw/zinc/62/37/23/555623723.db2.gz HNLXPYHSAWQNQF-UHFFFAOYSA-N 0 0 427.505 3.658 50 0 IHAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000001084366 555626220 /nfs/dbraw/zinc/62/62/20/555626220.db2.gz YSLLEUCEDWHCAM-HNNXBMFYSA-N 0 0 444.553 3.562 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1 ZINC000001087819 555627014 /nfs/dbraw/zinc/62/70/14/555627014.db2.gz NAHLFLZIUIGTKJ-PGAZUGQPSA-N 0 0 425.484 3.628 50 0 IHAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000001091373 555627145 /nfs/dbraw/zinc/62/71/45/555627145.db2.gz OBXZXHFSTBKDDH-AYIBLLACSA-N 0 0 437.451 3.555 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000001111702 555632037 /nfs/dbraw/zinc/63/20/37/555632037.db2.gz ATCSKLXCEISVIU-UHFFFAOYSA-N 0 0 441.532 3.715 50 0 IHAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001117820 555635489 /nfs/dbraw/zinc/63/54/89/555635489.db2.gz UAHRAEMIXGZROX-UHFFFAOYSA-N 0 0 425.535 3.923 50 0 IHAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000001117802 555635561 /nfs/dbraw/zinc/63/55/61/555635561.db2.gz GZFOGVDHUNUTKM-SFHVURJKSA-N 0 0 431.467 3.747 50 0 IHAARN COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000001120290 555637227 /nfs/dbraw/zinc/63/72/27/555637227.db2.gz LISHCTQXRKONRK-UHFFFAOYSA-N 0 0 430.570 3.555 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc3c(c2)OCO3)c(C(=O)OC)c1C ZINC000001120258 555637314 /nfs/dbraw/zinc/63/73/14/555637314.db2.gz RLZDADRZVCIUJY-UHFFFAOYSA-N 0 0 449.554 3.863 50 0 IHAARN Cn1c2nc(Oc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000001127648 555641946 /nfs/dbraw/zinc/64/19/46/555641946.db2.gz LDECUYAEBFCIAR-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000001128421 555642761 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COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001148669 555655263 /nfs/dbraw/zinc/65/52/63/555655263.db2.gz PEMGZGSMGKGYDH-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000001158219 555660173 /nfs/dbraw/zinc/66/01/73/555660173.db2.gz IVRYIHUNXYEHCL-UHFFFAOYSA-N 0 0 432.929 3.749 50 0 IHAARN COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000001171578 555666941 /nfs/dbraw/zinc/66/69/41/555666941.db2.gz VNSSMZGGXJZAEA-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001173437 555668413 /nfs/dbraw/zinc/66/84/13/555668413.db2.gz PDISDMMSIRINOA-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000001188975 555675219 /nfs/dbraw/zinc/67/52/19/555675219.db2.gz LEONNAOJNAKFCH-KRWDZBQOSA-N 0 0 437.290 3.682 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000001196368 555676606 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Cc1ccc(Cl)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000002979123 555871208 /nfs/dbraw/zinc/87/12/08/555871208.db2.gz VTUZGWDDXNNORI-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CC(C)CNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000002987531 555874322 /nfs/dbraw/zinc/87/43/22/555874322.db2.gz NPNSQDKTWNIARD-UHFFFAOYSA-N 0 0 429.369 3.957 50 0 IHAARN Cc1cccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000002991935 555875157 /nfs/dbraw/zinc/87/51/57/555875157.db2.gz BMQHKZPDLIIYGA-UHFFFAOYSA-N 0 0 426.513 3.688 50 0 IHAARN CC1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034756480 555901769 /nfs/dbraw/zinc/90/17/69/555901769.db2.gz ZWPVUMFCTLDSIY-UHFFFAOYSA-N 0 0 441.526 3.790 50 0 IHAARN CCNC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000034906079 555920297 /nfs/dbraw/zinc/92/02/97/555920297.db2.gz IKATWBFVHWGNNQ-HOTGVXAUSA-N 0 0 436.965 3.736 50 0 IHAARN CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855763 555924177 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3.608 50 0 IHAARN Cc1c2c(cc(=O)n1CCC[NH2+]C1CCCCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000003770739 555946371 /nfs/dbraw/zinc/94/63/71/555946371.db2.gz SQFBXIFYINARGH-UHFFFAOYSA-N 0 0 437.569 3.711 50 0 IHAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)NCc1ccc2c(c1)OCO2 ZINC000004101511 555962233 /nfs/dbraw/zinc/96/22/33/555962233.db2.gz OHSOARUQCSXVOH-OAQYLSRUSA-N 0 0 436.489 3.895 50 0 IHAARN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 ZINC000004141504 555967792 /nfs/dbraw/zinc/96/77/92/555967792.db2.gz GQPKGZGUZWJMBN-KRWDZBQOSA-N 0 0 439.306 3.929 50 0 IHAARN CC(=O)N(C)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000004195931 555975309 /nfs/dbraw/zinc/97/53/09/555975309.db2.gz DBXGQSVYHBNEGN-UHFFFAOYSA-N 0 0 438.528 3.790 50 0 IHAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000004295784 555984118 /nfs/dbraw/zinc/98/41/18/555984118.db2.gz TYSBTGGQQICGBU-UHFFFAOYSA-N 0 0 446.916 3.990 50 0 IHAARN NC(=O)C1CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)CC1 ZINC000004399053 555992922 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556137270 /nfs/dbraw/zinc/13/72/70/556137270.db2.gz ZCCNRLMVRFWDGN-VIFPVBQESA-N 0 0 439.379 3.746 50 0 IHAARN Cc1ccc(CONC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)cc1 ZINC000002790016 556139402 /nfs/dbraw/zinc/13/94/02/556139402.db2.gz PICFLQCSHATPQX-UHFFFAOYSA-N 0 0 443.352 3.948 50 0 IHAARN Cc1nn(CCC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1Br ZINC000002805184 556143344 /nfs/dbraw/zinc/14/33/44/556143344.db2.gz WXAHAKJEVPYPJV-UHFFFAOYSA-N 0 0 448.287 3.643 50 0 IHAARN COc1ccccc1OCc1ccc(C(=O)NCCn2nc(C)c(Br)c2C)o1 ZINC000002796272 556145618 /nfs/dbraw/zinc/14/56/18/556145618.db2.gz PZKUBKQCNOQNBA-UHFFFAOYSA-N 0 0 448.317 3.873 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)n2C)cc1 ZINC000002917406 556149031 /nfs/dbraw/zinc/14/90/31/556149031.db2.gz CHOOCKOZXCFEJI-UHFFFAOYSA-N 0 0 432.480 3.704 50 0 IHAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1c(F)cccc1F ZINC000002970692 556151913 /nfs/dbraw/zinc/15/19/13/556151913.db2.gz KHQUYTXDSIXNAG-UHFFFAOYSA-N 0 0 429.492 3.980 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(OC)c3)c2)cc1 ZINC000003031793 556158006 /nfs/dbraw/zinc/15/80/06/556158006.db2.gz VMGKLXOOYKECKK-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000008383810 556159679 /nfs/dbraw/zinc/15/96/79/556159679.db2.gz BDSQFHLOUREJEZ-QGZVFWFLSA-N 0 0 443.883 3.686 50 0 IHAARN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 ZINC000008383791 556159739 /nfs/dbraw/zinc/15/97/39/556159739.db2.gz KZYPVTMXUKTQFQ-FPOVZHCZSA-N 0 0 437.492 3.809 50 0 IHAARN CCc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008384479 556160247 /nfs/dbraw/zinc/16/02/47/556160247.db2.gz KRTBMILFBFHBNK-LJQANCHMSA-N 0 0 436.371 3.841 50 0 IHAARN COc1cc2oc3ccccc3c2cc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 ZINC000008438938 556174899 /nfs/dbraw/zinc/17/48/99/556174899.db2.gz AJMDUWGELBJOJP-UHFFFAOYSA-N 0 0 438.505 3.878 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000008440829 556176516 /nfs/dbraw/zinc/17/65/16/556176516.db2.gz IRCOATLRBMKZPF-FYXHJSOBSA-N 0 0 444.965 3.513 50 0 IHAARN O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000008449603 556180741 /nfs/dbraw/zinc/18/07/41/556180741.db2.gz APYWSEPQFKBQQR-YQORSWRPSA-N 0 0 445.316 3.980 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008449737 556181002 /nfs/dbraw/zinc/18/10/02/556181002.db2.gz PHEFYHKLCLQMRK-TXKCWOHGSA-N 0 0 431.488 3.879 50 0 IHAARN CCOC(=O)C(=C1CC(=O)N(c2ccc(OC)cc2)C1=O)C(C)Nc1ccc(F)cc1 ZINC000008616814 556192896 /nfs/dbraw/zinc/19/28/96/556192896.db2.gz UINMQABYYXWHPE-BWCLHNGZSA-N 0 0 426.444 3.663 50 0 IHAARN COC(=O)C1=C(Nc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)CSC1 ZINC000008637283 556195423 /nfs/dbraw/zinc/19/54/23/556195423.db2.gz HWMIVIFJASLXCK-UHFFFAOYSA-N 0 0 425.915 3.694 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC ZINC000008694333 556200518 /nfs/dbraw/zinc/20/05/18/556200518.db2.gz VDLYJQCMLYRAIR-JTSKRJEESA-N 0 0 439.556 3.960 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC ZINC000008694334 556200736 /nfs/dbraw/zinc/20/07/36/556200736.db2.gz VDLYJQCMLYRAIR-VGOFRKELSA-N 0 0 439.556 3.960 50 0 IHAARN CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000008815749 556217114 /nfs/dbraw/zinc/21/71/14/556217114.db2.gz HNBHZAYGGBKTIL-RQZCQDPDSA-N 0 0 443.887 3.587 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816444 556217772 /nfs/dbraw/zinc/21/77/72/556217772.db2.gz MKVOGCWFGHDEPW-SFHVURJKSA-N 0 0 449.617 3.617 50 0 IHAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008923271 556233706 /nfs/dbraw/zinc/23/37/06/556233706.db2.gz VYSFZDAABXETQI-HXUWFJFHSA-N 0 0 443.455 3.685 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)c(OC)c1 ZINC000008994205 556239147 /nfs/dbraw/zinc/23/91/47/556239147.db2.gz AFESATRLYNGJMQ-RUZDIDTESA-N 0 0 435.451 3.850 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 ZINC000009113150 556247735 /nfs/dbraw/zinc/24/77/35/556247735.db2.gz YLCBHJVFRHHRLT-OAQYLSRUSA-N 0 0 439.581 3.864 50 0 IHAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009190993 556253223 /nfs/dbraw/zinc/25/32/23/556253223.db2.gz YFWGHKLAJBNEEQ-UHFFFAOYSA-N 0 0 446.916 3.854 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009197355 556255671 /nfs/dbraw/zinc/25/56/71/556255671.db2.gz LKMNOGZVNQNSMB-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009197738 556255850 /nfs/dbraw/zinc/25/58/50/556255850.db2.gz XQWCPPHNTSRZGD-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009197732 556255879 /nfs/dbraw/zinc/25/58/79/556255879.db2.gz XQWCPPHNTSRZGD-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009197820 556256176 /nfs/dbraw/zinc/25/61/76/556256176.db2.gz SVAGAMPOVJOGDS-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000009216153 556257979 /nfs/dbraw/zinc/25/79/79/556257979.db2.gz ULLSRFBAVCBXNS-ZCUVORPTSA-N 0 0 428.532 3.979 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237942 556264679 /nfs/dbraw/zinc/26/46/79/556264679.db2.gz JYKQDGQITFIVOY-JKSUJKDBSA-N 0 0 448.321 3.886 50 0 IHAARN COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000009261137 556269022 /nfs/dbraw/zinc/26/90/22/556269022.db2.gz RVBKXDYBCAWGRZ-VCHYOVAHSA-N 0 0 431.441 3.623 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccc(F)cc2)n1C ZINC000009262771 556269823 /nfs/dbraw/zinc/26/98/23/556269823.db2.gz MPHSTIBIGNVNMZ-UHFFFAOYSA-N 0 0 427.505 3.565 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000009295131 556274905 /nfs/dbraw/zinc/27/49/05/556274905.db2.gz OLWMFSFCFAQUDG-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4nn[nH]n4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013689831 556278978 /nfs/dbraw/zinc/27/89/78/556278978.db2.gz CKFYXUVOEVMXSM-UHFFFAOYSA-N 0 0 429.436 3.826 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013691586 556281170 /nfs/dbraw/zinc/28/11/70/556281170.db2.gz KZKVSRDYEZDUPV-UHFFFAOYSA-N 0 0 445.972 3.677 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2ccccn2)cc1 ZINC000013692935 556282655 /nfs/dbraw/zinc/28/26/55/556282655.db2.gz ILGZQYKIIIERLK-HAHDFKILSA-N 0 0 440.503 3.669 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1 ZINC000032543369 556283437 /nfs/dbraw/zinc/28/34/37/556283437.db2.gz TVHRPZCDCFAUQD-UHFFFAOYSA-N 0 0 427.961 3.903 50 0 IHAARN Cc1ccc(C2=NN=C(NC(=O)CSc3nnc4c5ccccc5[nH]c4n3)SC2)cc1 ZINC000009408688 556287903 /nfs/dbraw/zinc/28/79/03/556287903.db2.gz IAVPJNUYFIKIAM-UHFFFAOYSA-N 0 0 447.549 3.530 50 0 IHAARN O=C(NCc1ccccn1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000009410571 556288197 /nfs/dbraw/zinc/28/81/97/556288197.db2.gz MDRYMFTVWPUVFC-KSSFIOAISA-N 0 0 445.401 3.597 50 0 IHAARN CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009421848 556289556 /nfs/dbraw/zinc/28/95/56/556289556.db2.gz JNMHSYPRJSCPLO-RTWAWAEBSA-N 0 0 428.579 3.597 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009426540 556290186 /nfs/dbraw/zinc/29/01/86/556290186.db2.gz JJJITMUETWSBPN-QGZVFWFLSA-N 0 0 436.537 3.632 50 0 IHAARN COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2ccccc2)c1OC ZINC000013727534 556293906 /nfs/dbraw/zinc/29/39/06/556293906.db2.gz WHGCSWKFBSDNPS-UHFFFAOYSA-N 0 0 429.586 3.625 50 0 IHAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)cc1 ZINC000009547848 556297618 /nfs/dbraw/zinc/29/76/18/556297618.db2.gz NQDGRZCQADZYQO-SANMLTNESA-N 0 0 431.488 3.972 50 0 IHAARN COC(=O)/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C1=C(N=2)/C(=C/c2ccccc2)CCC1 ZINC000013759301 556301562 /nfs/dbraw/zinc/30/15/62/556301562.db2.gz VEAGHSKLQIKKMD-PBEDISBOSA-N 0 0 442.540 3.608 50 0 IHAARN C[C@@H](NC(=O)CSc1n[nH]cc2c3cc(F)ccc3nc1-2)c1ccc2c(c1)OCCO2 ZINC000032752920 556313760 /nfs/dbraw/zinc/31/37/60/556313760.db2.gz KSTDLWGJNRQLFM-GFCCVEGCSA-N 0 0 438.484 3.991 50 0 IHAARN CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1 ZINC000013843088 556317849 /nfs/dbraw/zinc/31/78/49/556317849.db2.gz QNNNCPCHSFPOJX-UHFFFAOYSA-N 0 0 448.972 3.729 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 ZINC000013843392 556318185 /nfs/dbraw/zinc/31/81/85/556318185.db2.gz HBXROXJGSAIWTE-QGZVFWFLSA-N 0 0 429.476 3.939 50 0 IHAARN CCn1c(=O)c2cc(OC)c(OC)cc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009972182 556319470 /nfs/dbraw/zinc/31/94/70/556319470.db2.gz OOTVHQNRKGMHBU-UHFFFAOYSA-N 0 0 433.917 3.818 50 0 IHAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000032760749 556321296 /nfs/dbraw/zinc/32/12/96/556321296.db2.gz JTZYXHBMBJXZPF-FQEVSTJZSA-N 0 0 432.549 3.949 50 0 IHAARN CCOc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1Br ZINC000013858122 556321770 /nfs/dbraw/zinc/32/17/70/556321770.db2.gz ULVMKLAKYJSUQS-UHFFFAOYSA-N 0 0 444.329 3.879 50 0 IHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000032753518 556322864 /nfs/dbraw/zinc/32/28/64/556322864.db2.gz RTDOALNBJPBJLA-UHFFFAOYSA-N 0 0 428.439 3.596 50 0 IHAARN COc1ccc(-c2noc(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)n2)cc1 ZINC000032764707 556331958 /nfs/dbraw/zinc/33/19/58/556331958.db2.gz OGACYHLUHDGPLM-OAQYLSRUSA-N 0 0 434.496 3.525 50 0 IHAARN O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000032764518 556331969 /nfs/dbraw/zinc/33/19/69/556331969.db2.gz QDWODFMRSAPOOR-UHFFFAOYSA-N 0 0 447.339 3.983 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000032768307 556333179 /nfs/dbraw/zinc/33/31/79/556333179.db2.gz YUOHOUTWMKDMRS-KRWDZBQOSA-N 0 0 443.956 3.586 50 0 IHAARN O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000010461760 556335244 /nfs/dbraw/zinc/33/52/44/556335244.db2.gz PUDZCXWCEUTSBN-UHFFFAOYSA-N 0 0 429.476 3.664 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000032772775 556335589 /nfs/dbraw/zinc/33/55/89/556335589.db2.gz YVUHCDCSERSEEO-LJQANCHMSA-N 0 0 442.972 3.893 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032559087 556336967 /nfs/dbraw/zinc/33/69/67/556336967.db2.gz QPDDATZNCGMYRV-QGZVFWFLSA-N 0 0 438.509 3.749 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2nc(C)cs2)n1CCCc1ccccc1 ZINC000011663539 556344299 /nfs/dbraw/zinc/34/42/99/556344299.db2.gz AZQMAZOBWZYHGI-UHFFFAOYSA-N 0 0 432.615 3.706 50 0 IHAARN Cc1nc2ncccn2c1C(=O)N1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000011663321 556344337 /nfs/dbraw/zinc/34/43/37/556344337.db2.gz GVPCXXPVALWTEA-UHFFFAOYSA-N 0 0 429.480 3.789 50 0 IHAARN O=S(=O)(CC1CC1)c1ncc(CN2CCC[C@H](CCCO)C2)n1CC1CCCCC1 ZINC000011664457 556345337 /nfs/dbraw/zinc/34/53/37/556345337.db2.gz UVYOQASUGWVPNX-LJQANCHMSA-N 0 0 437.650 3.632 50 0 IHAARN CC(C)Cn1c(CN(C)CC[C@@H]2CCCCO2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000011664870 556345731 /nfs/dbraw/zinc/34/57/31/556345731.db2.gz RZPYUBXWJJCEBN-QFIPXVFZSA-N 0 0 433.618 3.904 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000011665362 556346017 /nfs/dbraw/zinc/34/60/17/556346017.db2.gz WXESSQYXDQEMPG-LJQANCHMSA-N 0 0 427.976 3.997 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000011709166 556347600 /nfs/dbraw/zinc/34/76/00/556347600.db2.gz JQKUKNDBZYESRM-VWLOTQADSA-N 0 0 437.467 3.960 50 0 IHAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000032784653 556350091 /nfs/dbraw/zinc/35/00/91/556350091.db2.gz MUKDISMJAQSATM-UHFFFAOYSA-N 0 0 434.521 3.752 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC000032778242 556350913 /nfs/dbraw/zinc/35/09/13/556350913.db2.gz AKIACSZSOHAJDA-UHFFFAOYSA-N 0 0 446.550 3.914 50 0 IHAARN Cn1ccnc1[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789361 556355015 /nfs/dbraw/zinc/35/50/15/556355015.db2.gz CSMHCHZANKBBJX-AUSIDOKSSA-N 0 0 428.964 3.799 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2 ZINC000011789912 556355381 /nfs/dbraw/zinc/35/53/81/556355381.db2.gz QRUKCACXDZYCDT-SFHVURJKSA-N 0 0 444.491 3.686 50 0 IHAARN COCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC2CCCC2)C3)o1 ZINC000011791242 556356089 /nfs/dbraw/zinc/35/60/89/556356089.db2.gz LJBVCMSBOODGKV-UHFFFAOYSA-N 0 0 425.529 3.524 50 0 IHAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc2c(c1)CCO2 ZINC000032795964 556358204 /nfs/dbraw/zinc/35/82/04/556358204.db2.gz IIKCFYWKBGDFCV-UHFFFAOYSA-N 0 0 430.432 3.953 50 0 IHAARN CN(Cc1nc2cc(F)ccc2[nH]1)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000011817406 556359900 /nfs/dbraw/zinc/35/99/00/556359900.db2.gz IWJQRTGFFLUYAX-UHFFFAOYSA-N 0 0 426.521 3.669 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000014070320 556360828 /nfs/dbraw/zinc/36/08/28/556360828.db2.gz YXAUHQSLQNZZFU-UHFFFAOYSA-N 0 0 437.503 3.991 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000014109166 556368863 /nfs/dbraw/zinc/36/88/63/556368863.db2.gz VABMLGCWEARRDF-ZDUSSCGKSA-N 0 0 442.566 3.964 50 0 IHAARN NC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000014116741 556370908 /nfs/dbraw/zinc/37/09/08/556370908.db2.gz CGBDDCGPZCYWCG-JWQCQUIFSA-N 0 0 440.547 3.857 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1 ZINC000014121097 556371981 /nfs/dbraw/zinc/37/19/81/556371981.db2.gz HAAVCKJODQFTGC-UHFFFAOYSA-N 0 0 437.468 3.819 50 0 IHAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)c2cc(C)n[nH]2)C3)c1 ZINC000011910506 556375023 /nfs/dbraw/zinc/37/50/23/556375023.db2.gz UJAITXWTKJSRBJ-INIZCTEOSA-N 0 0 427.888 3.789 50 0 IHAARN Cc1nc([C@@H](C)NC(=O)[C@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)cs1 ZINC000011964113 556381416 /nfs/dbraw/zinc/38/14/16/556381416.db2.gz RJIZVZOZHDIXNY-SKDRFNHKSA-N 0 0 446.579 3.844 50 0 IHAARN CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(I)cc1 ZINC000004513228 556381876 /nfs/dbraw/zinc/38/18/76/556381876.db2.gz MAQNTSMSDFVUAF-UZYVYHOESA-N 0 0 432.217 3.546 50 0 IHAARN Cc1nn(Cc2ncc(-c3ccccc3)o2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000014184232 556384062 /nfs/dbraw/zinc/38/40/62/556384062.db2.gz FTDITDMLKXWXEH-UHFFFAOYSA-N 0 0 434.521 3.955 50 0 IHAARN Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000011997282 556384687 /nfs/dbraw/zinc/38/46/87/556384687.db2.gz ZSYQPIZVSRAMPJ-UHFFFAOYSA-N 0 0 429.590 3.829 50 0 IHAARN O=c1c2c3c(sc2ncn1C[C@@H](O)COc1cccc(Br)c1)CCCC3 ZINC000014185087 556385154 /nfs/dbraw/zinc/38/51/54/556385154.db2.gz AMVPSFNADFNPAB-CYBMUJFWSA-N 0 0 435.343 3.539 50 0 IHAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 ZINC000014184931 556385232 /nfs/dbraw/zinc/38/52/32/556385232.db2.gz DUQBIAXHKUPLLR-FPTDNZKUSA-N 0 0 427.501 3.510 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000014185650 556385411 /nfs/dbraw/zinc/38/54/11/556385411.db2.gz RZPHHUUVYMXPRK-IBGZPJMESA-N 0 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ZINC000012035693 556389854 /nfs/dbraw/zinc/38/98/54/556389854.db2.gz BFNCUOAHJOAVGT-HSZRJFAPSA-N 0 0 428.916 3.921 50 0 IHAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCCc3ccco3)c21 ZINC000012038406 556390429 /nfs/dbraw/zinc/39/04/29/556390429.db2.gz TZYQUDXEQOYTSS-UHFFFAOYSA-N 0 0 438.528 3.767 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000012038811 556390508 /nfs/dbraw/zinc/39/05/08/556390508.db2.gz XAXONPAMMSTNFE-CJAUYULYSA-N 0 0 438.499 3.542 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000012073384 556396367 /nfs/dbraw/zinc/39/63/67/556396367.db2.gz AZMANKSJKFZLFG-INIZCTEOSA-N 0 0 447.956 3.772 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014230015 556396720 /nfs/dbraw/zinc/39/67/20/556396720.db2.gz ZCQZSVUEAGGDCM-IBGZPJMESA-N 0 0 434.558 3.580 50 0 IHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014230012 556396749 /nfs/dbraw/zinc/39/67/49/556396749.db2.gz 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COc1cccc(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1OC ZINC000014244475 556404206 /nfs/dbraw/zinc/40/42/06/556404206.db2.gz KUHDSOIWHVMQIM-UHFFFAOYSA-N 0 0 427.526 3.721 50 0 IHAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccccn2)CC1 ZINC000032578757 556405543 /nfs/dbraw/zinc/40/55/43/556405543.db2.gz LMBNPBJCDIVWCG-UHFFFAOYSA-N 0 0 441.491 3.526 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014249263 556408082 /nfs/dbraw/zinc/40/80/82/556408082.db2.gz IMZKGMRCLYQWPJ-UHFFFAOYSA-N 0 0 446.554 3.544 50 0 IHAARN CCCn1nc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)ccc1=O ZINC000014251790 556409281 /nfs/dbraw/zinc/40/92/81/556409281.db2.gz VDSYGLLMTXGWIH-UHFFFAOYSA-N 0 0 433.331 3.715 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)NCCCOC3CCCCC3)CC2=O)cc1Cl ZINC000032820874 556412412 /nfs/dbraw/zinc/41/24/12/556412412.db2.gz WTVPCDPOPDTINA-OAHLLOKOSA-N 0 0 438.952 3.566 50 0 IHAARN NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014304671 556412685 /nfs/dbraw/zinc/41/26/85/556412685.db2.gz JHTMOBGICYDSRA-UHFFFAOYSA-N 0 0 432.904 3.969 50 0 IHAARN CC(C)CCNC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000032670219 556414243 /nfs/dbraw/zinc/41/42/43/556414243.db2.gz GQBZJAPUHDJIKS-UHFFFAOYSA-N 0 0 448.658 3.657 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H](C)O)cc1 ZINC000032672259 556415006 /nfs/dbraw/zinc/41/50/06/556415006.db2.gz DOWHNIQZXMNCJQ-UONOGXRCSA-N 0 0 431.945 3.858 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000032665962 556417040 /nfs/dbraw/zinc/41/70/40/556417040.db2.gz BURKHSWRFZMVNN-HXUWFJFHSA-N 0 0 428.485 3.870 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000012974760 556420515 /nfs/dbraw/zinc/42/05/15/556420515.db2.gz IEPHYOKWLMFETN-GOSISDBHSA-N 0 0 432.611 3.913 50 0 IHAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012976192 556421964 /nfs/dbraw/zinc/42/19/64/556421964.db2.gz YCDGOFYAOZNPIG-UHFFFAOYSA-N 0 0 441.959 3.703 50 0 IHAARN CCn1c2ncc(NC[C@@H]3CC=CCC3)cc2c(NC(=O)[C@H]2CCOC2)c1C(=O)OC ZINC000014536050 556423459 /nfs/dbraw/zinc/42/34/59/556423459.db2.gz SBBOUNBWORLWKS-CVEARBPZSA-N 0 0 426.517 3.586 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000012981460 556424531 /nfs/dbraw/zinc/42/45/31/556424531.db2.gz UAKWOTPAXJUZQN-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN O=C(c1cc(F)ccc1F)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 ZINC000014541468 556425527 /nfs/dbraw/zinc/42/55/27/556425527.db2.gz GKETXJCVHAYTNT-HXUWFJFHSA-N 0 0 443.494 3.562 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000032841505 556427127 /nfs/dbraw/zinc/42/71/27/556427127.db2.gz YPOVMTPSKCWEKY-LJQANCHMSA-N 0 0 431.558 3.743 50 0 IHAARN Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2c1 ZINC000012992105 556428785 /nfs/dbraw/zinc/42/87/85/556428785.db2.gz UICNSGUCBSXHHK-UHFFFAOYSA-N 0 0 443.956 3.652 50 0 IHAARN COc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012992179 556428809 /nfs/dbraw/zinc/42/88/09/556428809.db2.gz IXXPLDVMWINMTG-UHFFFAOYSA-N 0 0 434.521 3.731 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000012995837 556431100 /nfs/dbraw/zinc/43/11/00/556431100.db2.gz PBFOWQMLBZCKOU-QGZVFWFLSA-N 0 0 431.945 3.823 50 0 IHAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012996200 556431310 /nfs/dbraw/zinc/43/13/10/556431310.db2.gz ORSDJBHIMJGNDQ-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN CC(C)N(C(=O)COC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)C(C)C ZINC000012997770 556431815 /nfs/dbraw/zinc/43/18/15/556431815.db2.gz BEKVZZKPVHVKGY-GOSISDBHSA-N 0 0 432.464 3.625 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000013002014 556433861 /nfs/dbraw/zinc/43/38/61/556433861.db2.gz WTGCAFZFRHESCW-UHFFFAOYSA-N 0 0 448.614 3.521 50 0 IHAARN Cc1c(NC(=O)CN2CCCCCC2=O)cccc1C(=O)N1CCc2sccc2C1 ZINC000027916164 556435217 /nfs/dbraw/zinc/43/52/17/556435217.db2.gz IIPWEQRAVGUUQG-UHFFFAOYSA-N 0 0 425.554 3.596 50 0 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/nfs/dbraw/zinc/44/81/14/556448114.db2.gz HFFCOBJPSJDCAA-LJQANCHMSA-N 0 0 427.570 3.818 50 0 IHAARN CCOC(=O)C1=C(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)N[C@@H]1C ZINC000013057679 556449489 /nfs/dbraw/zinc/44/94/89/556449489.db2.gz BQJJTAJGVKEDFX-MRVPVSSYSA-N 0 0 426.313 3.622 50 0 IHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc1 ZINC000013061748 556450789 /nfs/dbraw/zinc/45/07/89/556450789.db2.gz BDUNWGNREGJFCT-UHFFFAOYSA-N 0 0 445.519 3.589 50 0 IHAARN O=C(COc1ccccc1)N1CCC2(C[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000014881352 556453419 /nfs/dbraw/zinc/45/34/19/556453419.db2.gz PWXRIFRCMOGUKY-JOCHJYFZSA-N 0 0 430.508 3.519 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013074677 556455056 /nfs/dbraw/zinc/45/50/56/556455056.db2.gz ZCKPFXHFGCDUOX-TWLOVUBOSA-N 0 0 448.947 3.551 50 0 IHAARN O=C([C@H]1CC12CCN(Cc1c(F)cccc1F)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000014886098 556455466 /nfs/dbraw/zinc/45/54/66/556455466.db2.gz BLOBIDJPPGVDSH-JOCHJYFZSA-N 0 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ZINC000028834219 556462116 /nfs/dbraw/zinc/46/21/16/556462116.db2.gz NGFOCCAUEWBCGI-UHFFFAOYSA-N 0 0 432.318 3.753 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)sc1CC(N)=O ZINC000032871386 556462716 /nfs/dbraw/zinc/46/27/16/556462716.db2.gz XDFIDIPKXFPORH-QMMMGPOBSA-N 0 0 432.340 3.500 50 0 IHAARN CC(=O)N(c1nc([C@H]2NC(=N)Nc3nc4ccccc4n32)cs1)c1cccc(C)c1C ZINC000011035580 556462813 /nfs/dbraw/zinc/46/28/13/556462813.db2.gz GPPJRTQLQUITBF-IBGZPJMESA-N 0 0 431.525 3.891 50 0 IHAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)OCCO2 ZINC000013114743 556467259 /nfs/dbraw/zinc/46/72/59/556467259.db2.gz WPWQZHMSUAEKMA-UHFFFAOYSA-N 0 0 428.539 3.767 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000013117449 556469832 /nfs/dbraw/zinc/46/98/32/556469832.db2.gz NXKRIVPWMGQIMI-DEOSSOPVSA-N 0 0 435.524 3.674 50 0 IHAARN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000029269032 556471364 /nfs/dbraw/zinc/47/13/64/556471364.db2.gz YTNJRWWJLGKDAJ-UHFFFAOYSA-N 0 0 426.542 3.734 50 0 IHAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)CC3CCCC3)cc2)CC1 ZINC000014984528 556472029 /nfs/dbraw/zinc/47/20/29/556472029.db2.gz HYIOPMNWZRAEOW-DEOSSOPVSA-N 0 0 441.616 3.691 50 0 IHAARN COC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000029334428 556472721 /nfs/dbraw/zinc/47/27/21/556472721.db2.gz XCWJPCQGHXBKKM-LJQANCHMSA-N 0 0 429.904 3.570 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000013121571 556474475 /nfs/dbraw/zinc/47/44/75/556474475.db2.gz HBROZBBMLFSUMH-UHFFFAOYSA-N 0 0 436.566 3.770 50 0 IHAARN CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc32)[C@@H](O)[C@@H]1c1ccc(OC)cc1 ZINC000013122286 556474791 /nfs/dbraw/zinc/47/47/91/556474791.db2.gz DULZPFDNCTYXTA-LOSJGSFVSA-N 0 0 449.507 3.558 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@@H](c1ccc(OC)cc1)N2 ZINC000013127411 556476079 /nfs/dbraw/zinc/47/60/79/556476079.db2.gz DPVMPIVJZJFLDH-ROUUACIJSA-N 0 0 427.892 3.671 50 0 IHAARN O=C(c1cccs1)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014994377 556476861 /nfs/dbraw/zinc/47/68/61/556476861.db2.gz ZFVSXRFXLGWUBW-YKNILIKBSA-N 0 0 449.620 3.848 50 0 IHAARN O=C(Nc1ccncc1)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000072285498 556477132 /nfs/dbraw/zinc/47/71/32/556477132.db2.gz BWEDEMICWWLYQU-SFHVURJKSA-N 0 0 448.910 3.657 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(CC2CCCC2)n1C ZINC000014995525 556477625 /nfs/dbraw/zinc/47/76/25/556477625.db2.gz FJVIRIYNGGQYLL-XMMPIXPASA-N 0 0 447.623 3.742 50 0 IHAARN CC(=O)Nc1nc(COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cs1 ZINC000029553466 556477951 /nfs/dbraw/zinc/47/79/51/556477951.db2.gz DZVVQSKCXWSFOB-UHFFFAOYSA-N 0 0 436.555 3.548 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2nnnn2Cc2ccccc2)n(-c2ccccc2)n1 ZINC000013128768 556478192 /nfs/dbraw/zinc/47/81/92/556478192.db2.gz BGGLVRZONZIIFZ-UHFFFAOYSA-N 0 0 447.568 3.935 50 0 IHAARN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 ZINC000014997466 556478786 /nfs/dbraw/zinc/47/87/86/556478786.db2.gz GCKUVMYEOLEGOO-SFHVURJKSA-N 0 0 437.975 3.800 50 0 IHAARN CC(=O)c1ccc(N(CC(=O)N2CCCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013130839 556480040 /nfs/dbraw/zinc/48/00/40/556480040.db2.gz VGNOUAJGKVLCFW-SFHVURJKSA-N 0 0 428.554 3.794 50 0 IHAARN CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000013134152 556481970 /nfs/dbraw/zinc/48/19/70/556481970.db2.gz OZWDMHINCMFPSG-UHFFFAOYSA-N 0 0 439.459 3.853 50 0 IHAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000029844290 556484167 /nfs/dbraw/zinc/48/41/67/556484167.db2.gz KGMBYHJFGURTMO-SFHVURJKSA-N 0 0 431.558 3.898 50 0 IHAARN COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015013228 556484185 /nfs/dbraw/zinc/48/41/85/556484185.db2.gz VWYQLYQPYXYFOY-YBFXNURJSA-N 0 0 442.493 3.696 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)CCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000029847597 556484241 /nfs/dbraw/zinc/48/42/41/556484241.db2.gz IZXQMWIYSSAAEJ-UHFFFAOYSA-N 0 0 448.544 3.573 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000029846556 556484249 /nfs/dbraw/zinc/48/42/49/556484249.db2.gz UQMVPEGZHXMNCZ-QFIPXVFZSA-N 0 0 442.924 3.734 50 0 IHAARN CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C1=O ZINC000013140216 556485687 /nfs/dbraw/zinc/48/56/87/556485687.db2.gz WWJWRLOVZFUTEX-QGZVFWFLSA-N 0 0 442.903 3.721 50 0 IHAARN Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1 ZINC000029974778 556487651 /nfs/dbraw/zinc/48/76/51/556487651.db2.gz PYWYRGFGGBJAMT-UHFFFAOYSA-N 0 0 448.592 3.693 50 0 IHAARN O=C(NCCOC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000015021646 556488193 /nfs/dbraw/zinc/48/81/93/556488193.db2.gz WBXUMECQTYYWLO-UHFFFAOYSA-N 0 0 427.092 3.798 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000013146469 556488384 /nfs/dbraw/zinc/48/83/84/556488384.db2.gz UDXWPBBYRZWIEU-QHCPKHFHSA-N 0 0 428.488 3.561 50 0 IHAARN Cc1sc2nc([C@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 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C[C@H](Oc1ccc(CCO)cc1-n1nc2ccccc2n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000013163496 556493713 /nfs/dbraw/zinc/49/37/13/556493713.db2.gz QYOFEPNMYUPNIS-KRWDZBQOSA-N 0 0 442.519 3.850 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000030445620 556494782 /nfs/dbraw/zinc/49/47/82/556494782.db2.gz NENWGYBDSYMANG-UHFFFAOYSA-N 0 0 425.482 3.534 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N[C@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000015070662 556495937 /nfs/dbraw/zinc/49/59/37/556495937.db2.gz MZKIXUIVJQJUNW-SXOMAYOGSA-N 0 0 443.547 3.968 50 0 IHAARN NC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccc(F)cc1 ZINC000030564714 556498086 /nfs/dbraw/zinc/49/80/86/556498086.db2.gz BGDSKZHSRXPVHJ-CYBMUJFWSA-N 0 0 449.920 3.723 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000030662925 556501380 /nfs/dbraw/zinc/50/13/80/556501380.db2.gz YTSXTZYJTXTNCI-QRWLVFNGSA-N 0 0 438.553 3.535 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000011071134 556507427 /nfs/dbraw/zinc/50/74/27/556507427.db2.gz KEGBXCHDKWXVDT-KGLIPLIRSA-N 0 0 446.910 3.502 50 0 IHAARN O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000032883575 556509667 /nfs/dbraw/zinc/50/96/67/556509667.db2.gz RPYDZBARGNTXNU-UHFFFAOYSA-N 0 0 442.821 3.849 50 0 IHAARN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000013520259 556512156 /nfs/dbraw/zinc/51/21/56/556512156.db2.gz ZVEXJRQLSNLHFW-ZNFPLGDCSA-N 0 0 437.587 3.532 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000013526768 556512588 /nfs/dbraw/zinc/51/25/88/556512588.db2.gz JRZWSLDSTGZUOY-ZIAGYGMSSA-N 0 0 448.342 3.686 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032889201 556514026 /nfs/dbraw/zinc/51/40/26/556514026.db2.gz YMOCFWYJHVOONE-SJORKVTESA-N 0 0 444.553 3.778 50 0 IHAARN Cc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 ZINC000013557636 556517539 /nfs/dbraw/zinc/51/75/39/556517539.db2.gz VBBBQBRARLYXNR-NRFANRHFSA-N 0 0 437.540 3.720 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 ZINC000015314397 556518548 /nfs/dbraw/zinc/51/85/48/556518548.db2.gz SRGXCXSYONYLPQ-RNXZQOMOSA-N 0 0 446.613 3.814 50 0 IHAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C ZINC000015318396 556519589 /nfs/dbraw/zinc/51/95/89/556519589.db2.gz QRUIYHWXKWYDSQ-GFCCVEGCSA-N 0 0 431.539 3.633 50 0 IHAARN CN(C)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC000032892839 556520381 /nfs/dbraw/zinc/52/03/81/556520381.db2.gz KIRAQNQKXASVJX-MRXNPFEDSA-N 0 0 425.489 3.761 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000032893143 556520745 /nfs/dbraw/zinc/52/07/45/556520745.db2.gz ZRQSMEHINOAOSM-GOSISDBHSA-N 0 0 446.550 3.531 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)s1 ZINC000072301009 556523872 /nfs/dbraw/zinc/52/38/72/556523872.db2.gz OCIBOFMVZIRWPW-MRXNPFEDSA-N 0 0 429.325 3.854 50 0 IHAARN O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000013574028 556524437 /nfs/dbraw/zinc/52/44/37/556524437.db2.gz ZATGXPQIMDWDEG-OCKHKDLRSA-N 0 0 441.459 3.841 50 0 IHAARN COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3cccnc3)C2=O)c(OC)c1 ZINC000015413437 556526340 /nfs/dbraw/zinc/52/63/40/556526340.db2.gz DJBSCEGPOVUTSN-JOCHJYFZSA-N 0 0 437.883 3.873 50 0 IHAARN C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Br)cc1)OCCCO3 ZINC000013576623 556526374 /nfs/dbraw/zinc/52/63/74/556526374.db2.gz RQPBITJXDVSCBO-ZDUSSCGKSA-N 0 0 438.343 3.918 50 0 IHAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@H](c3ccsc3)C2=O)c1 ZINC000015413460 556526499 /nfs/dbraw/zinc/52/64/99/556526499.db2.gz PWQJPGFOHCJXJY-JOCHJYFZSA-N 0 0 438.505 3.895 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000013591277 556529333 /nfs/dbraw/zinc/52/93/33/556529333.db2.gz LEWAGIQXTBQCHL-GFCCVEGCSA-N 0 0 426.332 3.774 50 0 IHAARN CC(C)[C@@H](C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000013592413 556530364 /nfs/dbraw/zinc/53/03/64/556530364.db2.gz IYGAZHAPPDUUDM-MWTRTKDXSA-N 0 0 448.519 3.614 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000032901173 556532575 /nfs/dbraw/zinc/53/25/75/556532575.db2.gz KZGOHGWXVFXUFB-AWEZNQCLSA-N 0 0 437.323 3.550 50 0 IHAARN O=C(CCn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O)Nc1ccc(F)cc1 ZINC000013607123 556533356 /nfs/dbraw/zinc/53/33/56/556533356.db2.gz VASSEKFBWMLSEQ-UHFFFAOYSA-N 0 0 441.459 3.580 50 0 IHAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccn3)=NN12 ZINC000013619213 556536002 /nfs/dbraw/zinc/53/60/02/556536002.db2.gz BOWWMCYNEFKBJB-LJQANCHMSA-N 0 0 441.329 3.726 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)s1 ZINC000032579413 556541546 /nfs/dbraw/zinc/54/15/46/556541546.db2.gz XLFZCKZVTHNJPV-UHFFFAOYSA-N 0 0 437.554 3.864 50 0 IHAARN CCN(CC1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C(=O)OC(C)(C)C ZINC000072305506 556552931 /nfs/dbraw/zinc/55/29/31/556552931.db2.gz RPPMJYFXVFQNSE-UHFFFAOYSA-N 0 0 436.549 3.822 50 0 IHAARN CCN(CC)C(=S)SCC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C1CC1 ZINC000022967647 556553637 /nfs/dbraw/zinc/55/36/37/556553637.db2.gz KQWQYWTVYQZKGK-SFHVURJKSA-N 0 0 433.599 3.702 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cc(CC)no3)cc2c1C ZINC000033086981 556553867 /nfs/dbraw/zinc/55/38/67/556553867.db2.gz ZGPXMXCDQWWROO-KRWDZBQOSA-N 0 0 432.498 3.994 50 0 IHAARN CCOC(=O)CSc1nn(CC)c2nc3c(c(=O)n12)C(CC)(CC)Cc1ccccc1-3 ZINC000015839305 556556311 /nfs/dbraw/zinc/55/63/11/556556311.db2.gz RSBYIXJVHIOVAF-UHFFFAOYSA-N 0 0 440.569 3.847 50 0 IHAARN CCOc1ccccc1NC(=O)CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O ZINC000033250150 556557037 /nfs/dbraw/zinc/55/70/37/556557037.db2.gz MBKIMYCNHHWVFV-UHFFFAOYSA-N 0 0 440.406 3.757 50 0 IHAARN CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000032907315 556559114 /nfs/dbraw/zinc/55/91/14/556559114.db2.gz IUKSTTTVCVYONS-HOCLYGCPSA-N 0 0 426.538 3.615 50 0 IHAARN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032907395 556559131 /nfs/dbraw/zinc/55/91/31/556559131.db2.gz ZOYYOHKSJFSECX-XMMPIXPASA-N 0 0 436.600 3.866 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033274718 556559184 /nfs/dbraw/zinc/55/91/84/556559184.db2.gz LCZQROCPFJRXJJ-UHFFFAOYSA-N 0 0 442.581 3.551 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC(OCc3cccc4ccccc43)C2)no1 ZINC000072306726 556559726 /nfs/dbraw/zinc/55/97/26/556559726.db2.gz XNSAQQKXMLVADX-INIZCTEOSA-N 0 0 439.537 3.624 50 0 IHAARN CC[C@](C)(CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 ZINC000072306337 556559959 /nfs/dbraw/zinc/55/99/59/556559959.db2.gz BHLGMVGAYDXUOD-NTKDMRAZSA-N 0 0 431.577 3.925 50 0 IHAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000015882064 556560804 /nfs/dbraw/zinc/56/08/04/556560804.db2.gz PZMFSLZDXFVQJB-UHFFFAOYSA-N 0 0 440.916 3.508 50 0 IHAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000032908604 556565440 /nfs/dbraw/zinc/56/54/40/556565440.db2.gz HLQUDIJNENAFJD-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000072308310 556565800 /nfs/dbraw/zinc/56/58/00/556565800.db2.gz WOSYZTDUGFOOIN-VWLOTQADSA-N 0 0 431.536 3.898 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000015943692 556566591 /nfs/dbraw/zinc/56/65/91/556566591.db2.gz OVBCCBRTWGXTLH-HUUCEWRRSA-N 0 0 442.628 3.560 50 0 IHAARN CCOc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc(C)c2c1 ZINC000015978607 556570676 /nfs/dbraw/zinc/57/06/76/556570676.db2.gz SFHLJUONCMCFPX-UHFFFAOYSA-N 0 0 441.542 3.616 50 0 IHAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)cc1 ZINC000001443726 556574740 /nfs/dbraw/zinc/57/47/40/556574740.db2.gz SCTBAPNBRXFMIT-QFIPXVFZSA-N 0 0 446.482 3.938 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c(OC)c1 ZINC000016021710 556574926 /nfs/dbraw/zinc/57/49/26/556574926.db2.gz JHRHMQMLZZDALR-CVDCTZTESA-N 0 0 434.473 3.846 50 0 IHAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000016031670 556576760 /nfs/dbraw/zinc/57/67/60/556576760.db2.gz CZAOELJWXCOVMQ-UHFFFAOYSA-N 0 0 435.977 3.535 50 0 IHAARN COCc1nc(=O)c2c(C)c(C(=O)OC[C@]3(C)CCCN3Cc3ccccc3)sc2[nH]1 ZINC000072310753 556576778 /nfs/dbraw/zinc/57/67/78/556576778.db2.gz SWTNEWBAQIDQBE-QHCPKHFHSA-N 0 0 441.553 3.651 50 0 IHAARN CCCn1c(=O)[nH]nc1SCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000016045615 556579487 /nfs/dbraw/zinc/57/94/87/556579487.db2.gz OVFXWNJTZOIWIB-INIZCTEOSA-N 0 0 445.932 3.698 50 0 IHAARN COc1ccccc1N1CCN([C@H](c2ccccc2)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000023549998 556579775 /nfs/dbraw/zinc/57/97/75/556579775.db2.gz ADIQPWWYFPDHQC-RUZDIDTESA-N 0 0 426.520 3.843 50 0 IHAARN Cc1cc(CNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc(C)c1O ZINC000016046111 556579918 /nfs/dbraw/zinc/57/99/18/556579918.db2.gz OFSLGJDRQXUTJF-UHFFFAOYSA-N 0 0 449.532 3.769 50 0 IHAARN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000060240961 556580693 /nfs/dbraw/zinc/58/06/93/556580693.db2.gz CHYRKMHVADWOAX-AWEZNQCLSA-N 0 0 449.935 3.579 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N(CC(C)C)CC(C)C)o2)cc(OC)c1OC ZINC000016048999 556580795 /nfs/dbraw/zinc/58/07/95/556580795.db2.gz LJHKFLCZUKVQOY-UHFFFAOYSA-N 0 0 437.562 3.995 50 0 IHAARN COc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC ZINC000071327920 556582037 /nfs/dbraw/zinc/58/20/37/556582037.db2.gz IRBDAQUBQOVCJJ-UHFFFAOYSA-N 0 0 449.551 3.558 50 0 IHAARN CC(C)CNC(=O)c1cccc(Nc2c(Oc3ccc(F)cc3F)cnn(C)c2=O)c1 ZINC000036071154 556592126 /nfs/dbraw/zinc/59/21/26/556592126.db2.gz PYVIQCJHULMCMG-UHFFFAOYSA-N 0 0 428.439 3.980 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000016278867 556596523 /nfs/dbraw/zinc/59/65/23/556596523.db2.gz CUOVUTIBNDAEKI-LJQANCHMSA-N 0 0 427.432 3.749 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000100861243 556598072 /nfs/dbraw/zinc/59/80/72/556598072.db2.gz BEJPIPXWCKKNEN-OESDUMLDSA-N 0 0 447.557 3.683 50 0 IHAARN Cc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccc(Cl)c2)cc1 ZINC000016311589 556599696 /nfs/dbraw/zinc/59/96/96/556599696.db2.gz YNODFFZAXXNLMY-UHFFFAOYSA-N 0 0 433.903 3.585 50 0 IHAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1OCC(C)C ZINC000016319905 556600074 /nfs/dbraw/zinc/60/00/74/556600074.db2.gz UYZQSLHIJZIRJF-MRXNPFEDSA-N 0 0 441.322 3.684 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000032975673 556600365 /nfs/dbraw/zinc/60/03/65/556600365.db2.gz CVBXQQOMGSSPCH-IAGOWNOFSA-N 0 0 448.491 3.749 50 0 IHAARN COC(=O)c1c(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)sc2c1CCC2 ZINC000016346690 556601516 /nfs/dbraw/zinc/60/15/16/556601516.db2.gz VYXSLCJZUMIMGO-UHFFFAOYSA-N 0 0 442.566 3.630 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(OC)cc1 ZINC000016362249 556602839 /nfs/dbraw/zinc/60/28/39/556602839.db2.gz RSLHHTUSXCIXPP-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN COC(=O)c1cn(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 ZINC000016362219 556602848 /nfs/dbraw/zinc/60/28/48/556602848.db2.gz BFORFSAHAQMZHA-UHFFFAOYSA-N 0 0 436.489 3.542 50 0 IHAARN CCOC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(Br)ccc32)CC1 ZINC000016362128 556602903 /nfs/dbraw/zinc/60/29/03/556602903.db2.gz DNGFUUGQLFLSOG-UHFFFAOYSA-N 0 0 434.330 3.955 50 0 IHAARN Cc1ccccc1-c1nc(-c2ccc(C(N)=O)cc2)ncc1-c1nnnn1-c1ccccc1 ZINC000016363060 556603095 /nfs/dbraw/zinc/60/30/95/556603095.db2.gz GWTTZLMVXHXQNJ-UHFFFAOYSA-N 0 0 433.475 3.861 50 0 IHAARN Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nnnn1-c1ccc(Cl)cc1 ZINC000016363055 556603137 /nfs/dbraw/zinc/60/31/37/556603137.db2.gz HXJLYZTUBMQJTJ-UHFFFAOYSA-N 0 0 433.903 3.585 50 0 IHAARN C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016366665 556603681 /nfs/dbraw/zinc/60/36/81/556603681.db2.gz HJKPDOICNWCJHX-QRYOHXEKSA-N 0 0 430.526 3.672 50 0 IHAARN Cc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3C)s2)cc1 ZINC000032987298 556607258 /nfs/dbraw/zinc/60/72/58/556607258.db2.gz LVGOABGBYSEPLP-UHFFFAOYSA-N 0 0 426.567 3.957 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccccc2)s1)NCc1cccc(Cl)c1 ZINC000032987192 556607269 /nfs/dbraw/zinc/60/72/69/556607269.db2.gz VNXFALPYHSEZTA-UHFFFAOYSA-N 0 0 432.958 3.993 50 0 IHAARN Cc1ccccc1CNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987568 556608031 /nfs/dbraw/zinc/60/80/31/556608031.db2.gz DWAJMWOALJGDJF-UHFFFAOYSA-N 0 0 430.917 3.585 50 0 IHAARN O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)Nc1ccccc1F ZINC000016450320 556609536 /nfs/dbraw/zinc/60/95/36/556609536.db2.gz USROBXIWJTVBRX-UNOMPAQXSA-N 0 0 437.452 3.997 50 0 IHAARN Cc1ccccc1-c1nn2c(nc(CNC(=O)Nc3ccc(F)cc3F)cc2=O)s1 ZINC000032995981 556611667 /nfs/dbraw/zinc/61/16/67/556611667.db2.gz PYZIMUJNTLMTFQ-UHFFFAOYSA-N 0 0 427.436 3.726 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000032916265 556615064 /nfs/dbraw/zinc/61/50/64/556615064.db2.gz ITWPEEKWUAHXRB-LJQANCHMSA-N 0 0 431.323 3.973 50 0 IHAARN CN1CCc2nc(NC(=O)c3cccnc3Sc3ccc4c(c3)OCCO4)sc2C1 ZINC000032997977 556615236 /nfs/dbraw/zinc/61/52/36/556615236.db2.gz QOQPQDZRABCCJF-UHFFFAOYSA-N 0 0 440.550 3.701 50 0 IHAARN Nc1nc(COC(=O)c2ccc(COc3ccccc3)o2)nc(Nc2ccc(F)cc2)n1 ZINC000016670061 556621514 /nfs/dbraw/zinc/62/15/14/556621514.db2.gz BKGWHRCFHWPPAZ-UHFFFAOYSA-N 0 0 435.415 3.866 50 0 IHAARN Cc1nc(N2CCC[C@H]2C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nc2ccccc12 ZINC000039354695 556628071 /nfs/dbraw/zinc/62/80/71/556628071.db2.gz CJIDCAXVMAMRCN-LOSJGSFVSA-N 0 0 444.579 3.749 50 0 IHAARN COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(OC)c1 ZINC000016740065 556634298 /nfs/dbraw/zinc/63/42/98/556634298.db2.gz MNDAGLLWLLYKNA-HSZRJFAPSA-N 0 0 444.491 3.665 50 0 IHAARN COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752798 556638070 /nfs/dbraw/zinc/63/80/70/556638070.db2.gz CAVLHPSFSORXFL-GOSISDBHSA-N 0 0 427.522 3.888 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)n[nH]1 ZINC000033829211 556638105 /nfs/dbraw/zinc/63/81/05/556638105.db2.gz RLIUBAKWEJVMHI-UHFFFAOYSA-N 0 0 434.481 3.864 50 0 IHAARN COc1ccc(Cc2nc(P(=O)(OC)OC)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000016753183 556638130 /nfs/dbraw/zinc/63/81/30/556638130.db2.gz XFRUSZMDKFTWAI-UHFFFAOYSA-N 0 0 446.396 3.726 50 0 IHAARN CCc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040391798 556638101 /nfs/dbraw/zinc/63/81/01/556638101.db2.gz YNXSTHACLOMVEI-UHFFFAOYSA-N 0 0 442.454 3.500 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2N)cc1OC ZINC000016756092 556639025 /nfs/dbraw/zinc/63/90/25/556639025.db2.gz IVWQGJZAHPPEKY-UHFFFAOYSA-N 0 0 435.509 3.560 50 0 IHAARN COCc1nn2c(ncc3c2ccn(Cc2cccnc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397885 556640017 /nfs/dbraw/zinc/64/00/17/556640017.db2.gz GVHGNMGUXPRTBN-UHFFFAOYSA-N 0 0 431.883 3.954 50 0 IHAARN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCc2ccccc2)cc1 ZINC000037556413 556644976 /nfs/dbraw/zinc/64/49/76/556644976.db2.gz LZDRVKZTAGKGPZ-UHFFFAOYSA-N 0 0 434.511 3.907 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2Cl)c1=O ZINC000037558018 556645598 /nfs/dbraw/zinc/64/55/98/556645598.db2.gz BCTIVWXWEQGKDB-UHFFFAOYSA-N 0 0 444.869 3.985 50 0 IHAARN Cc1ccc(-c2csc3c2nc(SCC(=O)NCc2ccco2)n(C)c3=O)cc1 ZINC000016846045 556646776 /nfs/dbraw/zinc/64/67/76/556646776.db2.gz DYQMPWDNMMBZDM-UHFFFAOYSA-N 0 0 425.535 3.972 50 0 IHAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3I)cc12 ZINC000011726467 556646872 /nfs/dbraw/zinc/64/68/72/556646872.db2.gz DAOADTGQEFFJTN-UHFFFAOYSA-N 0 0 446.288 3.722 50 0 IHAARN COCCn1c(SCC(=O)Nc2cccc3ccccc32)nc2c(c1=O)S[C@H](C)C2 ZINC000011726534 556647415 /nfs/dbraw/zinc/64/74/15/556647415.db2.gz NFEOJENHACTIHR-CQSZACIVSA-N 0 0 441.578 3.810 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cc(F)ccc5C)c(=O)n4ccn3n2)cc1C ZINC000038487222 556648209 /nfs/dbraw/zinc/64/82/09/556648209.db2.gz IDRBBSRPTOZHJL-UHFFFAOYSA-N 0 0 444.470 3.514 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011748713 556650401 /nfs/dbraw/zinc/65/04/01/556650401.db2.gz HQVSFQXAJBMQFL-HNNXBMFYSA-N 0 0 441.915 3.775 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000016962780 556651059 /nfs/dbraw/zinc/65/10/59/556651059.db2.gz TZTNBKUBBHWLTL-SFHVURJKSA-N 0 0 428.554 3.830 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751805 556651061 /nfs/dbraw/zinc/65/10/61/556651061.db2.gz AWAPLIKOHOYRMU-GOSISDBHSA-N 0 0 429.473 3.600 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)c(C)c1 ZINC000016962420 556651075 /nfs/dbraw/zinc/65/10/75/556651075.db2.gz GTFOOFWMFDHBCS-KRWDZBQOSA-N 0 0 432.508 3.505 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1OC ZINC000016959844 556651134 /nfs/dbraw/zinc/65/11/34/556651134.db2.gz YJDQEUVQCSKGQT-UHFFFAOYSA-N 0 0 448.548 3.865 50 0 IHAARN COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)s1 ZINC000016973009 556651713 /nfs/dbraw/zinc/65/17/13/556651713.db2.gz MLWQZKIZGUAEHX-UHFFFAOYSA-N 0 0 442.522 3.732 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1 ZINC000016996004 556652527 /nfs/dbraw/zinc/65/25/27/556652527.db2.gz IKOGBHASEYJTTE-INIZCTEOSA-N 0 0 432.185 3.943 50 0 IHAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000011758472 556652985 /nfs/dbraw/zinc/65/29/85/556652985.db2.gz HKSMHSQZXNMZHT-UHFFFAOYSA-N 0 0 428.880 3.793 50 0 IHAARN Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000011762232 556654456 /nfs/dbraw/zinc/65/44/56/556654456.db2.gz QNVZIBZJHKXIHE-HNNXBMFYSA-N 0 0 429.373 3.893 50 0 IHAARN Cc1cc2nc(C)c(=O)n(CCC(=O)NCc3cccc(Br)c3)c2cc1C ZINC000033005741 556655126 /nfs/dbraw/zinc/65/51/26/556655126.db2.gz NVVPDIOMDUKDKK-UHFFFAOYSA-N 0 0 428.330 3.791 50 0 IHAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCN(c2ncccn2)CC1 ZINC000032926185 556655175 /nfs/dbraw/zinc/65/51/75/556655175.db2.gz XXLBKFOWAZEOCX-UHFFFAOYSA-N 0 0 431.327 3.883 50 0 IHAARN CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000032927254 556656089 /nfs/dbraw/zinc/65/60/89/556656089.db2.gz PIUZWMQHNOXRQS-AWEZNQCLSA-N 0 0 426.485 3.713 50 0 IHAARN Cc1ccc(-c2cc(CNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)on2)cc1 ZINC000032928001 556656537 /nfs/dbraw/zinc/65/65/37/556656537.db2.gz XWPSXUSWKWTKPA-UHFFFAOYSA-N 0 0 439.537 3.755 50 0 IHAARN CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)/C=C/C(C)C)CC2)[C@H]1OCc1ccncc1 ZINC000011790774 556656659 /nfs/dbraw/zinc/65/66/59/556656659.db2.gz RDONPZPKKNWWJC-DOHKGXCESA-N 0 0 447.579 3.930 50 0 IHAARN COc1ccc(NC(=O)c2nnc(SCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000033011466 556659375 /nfs/dbraw/zinc/65/93/75/556659375.db2.gz WFKRTWNAONUXSO-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN CC(C)(C)NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1-c1ccccc1 ZINC000013956059 556661836 /nfs/dbraw/zinc/66/18/36/556661836.db2.gz OKHXNZLOGJYHDP-UHFFFAOYSA-N 0 0 441.532 3.594 50 0 IHAARN COc1cc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc(OC)c1OC ZINC000011856896 556662378 /nfs/dbraw/zinc/66/23/78/556662378.db2.gz RKHJUHCDLUZNOO-UHFFFAOYSA-N 0 0 429.400 3.636 50 0 IHAARN COc1cc(-c2nc(C(=O)N[C@@H](CO)c3ccccc3)c(C)s2)cc(OC)c1OC ZINC000011865419 556664641 /nfs/dbraw/zinc/66/46/41/556664641.db2.gz KBQZNIAIGUAYAI-INIZCTEOSA-N 0 0 428.510 3.608 50 0 IHAARN O=C(NCc1ccccc1F)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018552 556665548 /nfs/dbraw/zinc/66/55/48/556665548.db2.gz IUNMUUFHZXOSDO-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(C)c1 ZINC000017100723 556665659 /nfs/dbraw/zinc/66/56/59/556665659.db2.gz OYPVISZIAWUTDJ-GOSISDBHSA-N 0 0 436.599 3.976 50 0 IHAARN Cc1ccc(C(=O)OC[C@H]2O[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000044154416 556666170 /nfs/dbraw/zinc/66/61/70/556666170.db2.gz QBZWWJDLGJZWFB-URFJDIBFSA-N 0 0 426.465 3.562 50 0 IHAARN Cc1ccc2nc3sc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3c(=O)n2c1 ZINC000017122390 556668412 /nfs/dbraw/zinc/66/84/12/556668412.db2.gz LPUCAVUJIGDFQI-UHFFFAOYSA-N 0 0 438.940 3.833 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 ZINC000033019333 556675842 /nfs/dbraw/zinc/67/58/42/556675842.db2.gz BWTVPOWZABCXAN-HNNXBMFYSA-N 0 0 439.430 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2cccnc2OCC(F)(F)F)cc1C(F)(F)F ZINC000060321277 556676144 /nfs/dbraw/zinc/67/61/44/556676144.db2.gz VDFBMFBJEVCDGS-UHFFFAOYSA-N 0 0 428.354 3.828 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(-n2cccc2)c1 ZINC000032933221 556676606 /nfs/dbraw/zinc/67/66/06/556676606.db2.gz GGYZCAXMXOKFLU-UHFFFAOYSA-N 0 0 448.342 3.547 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000248262442 556677667 /nfs/dbraw/zinc/67/76/67/556677667.db2.gz MVBFBZGUDXDXJB-WTGUMLROSA-N 0 0 435.911 3.834 50 0 IHAARN CN(CCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1cccs1 ZINC000011969308 556677770 /nfs/dbraw/zinc/67/77/70/556677770.db2.gz HBFZDOADKKMTMF-UHFFFAOYSA-N 0 0 436.555 3.829 50 0 IHAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000017945969 556680283 /nfs/dbraw/zinc/68/02/83/556680283.db2.gz AMOGBGJHRBHSPG-ZDUSSCGKSA-N 0 0 431.949 3.826 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325781 556680395 /nfs/dbraw/zinc/68/03/95/556680395.db2.gz HSYQQOGZVKQAKO-HXUWFJFHSA-N 0 0 429.586 3.979 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 ZINC000017986739 556680617 /nfs/dbraw/zinc/68/06/17/556680617.db2.gz OZENKDBZZCUWAR-IPHXSNPTSA-N 0 0 435.476 3.661 50 0 IHAARN O=C(CCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012010470 556680937 /nfs/dbraw/zinc/68/09/37/556680937.db2.gz FFLDGWMQAOFLQB-UHFFFAOYSA-N 0 0 429.480 3.666 50 0 IHAARN COc1cccc(OC)c1OC[C@H](O)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000062581467 556685165 /nfs/dbraw/zinc/68/51/65/556685165.db2.gz OSQPAEBJFQWDPV-LJQANCHMSA-N 0 0 445.556 3.716 50 0 IHAARN O=C(c1ccc(COc2ccccc2Br)o1)N1CCN(c2ccccn2)CC1 ZINC000018161661 556685511 /nfs/dbraw/zinc/68/55/11/556685511.db2.gz DKGCWXOKUHVCDW-UHFFFAOYSA-N 0 0 442.313 3.979 50 0 IHAARN CCCc1c(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000071944640 556686160 /nfs/dbraw/zinc/68/61/60/556686160.db2.gz XWKSNBWCBNMSCX-OAHLLOKOSA-N 0 0 447.601 4.000 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(Cl)cc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005427 556689581 /nfs/dbraw/zinc/68/95/81/556689581.db2.gz KPOZYCXJPBIAHZ-CQSZACIVSA-N 0 0 439.878 3.880 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(F)c(F)c1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005574 556689592 /nfs/dbraw/zinc/68/95/92/556689592.db2.gz QVFLUKPKLZIBQY-ZDUSSCGKSA-N 0 0 441.413 3.505 50 0 IHAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCN(CC)CC1 ZINC000046006157 556690085 /nfs/dbraw/zinc/69/00/85/556690085.db2.gz CWSIQQOQNHFZFF-UHFFFAOYSA-N 0 0 449.599 3.841 50 0 IHAARN CCc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CCOC)c(=O)c21 ZINC000065113586 556691173 /nfs/dbraw/zinc/69/11/73/556691173.db2.gz FKSRLFZTRBSSKE-UHFFFAOYSA-N 0 0 430.508 3.713 50 0 IHAARN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H]1O ZINC000252527924 556691276 /nfs/dbraw/zinc/69/12/76/556691276.db2.gz DRYPBXVOCZPFQD-PFHKOEEOSA-N 0 0 432.344 3.606 50 0 IHAARN S=C1N=NC(Cn2c3ccccc3nc2-c2ccccn2)N1c1ccc2c(c1)OCCO2 ZINC000013598685 556701634 /nfs/dbraw/zinc/70/16/34/556701634.db2.gz FALMRISDPCTNLZ-UHFFFAOYSA-N 0 0 442.504 3.787 50 0 IHAARN COc1ccc(-c2cc3ccc(OCCN4C[C@H](C)O[C@@H](C)C4)cc3oc2=O)cc1OC ZINC000013608076 556702838 /nfs/dbraw/zinc/70/28/38/556702838.db2.gz JHPNABKDGOFUMU-IRXDYDNUSA-N 0 0 439.508 3.965 50 0 IHAARN CC1(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC000019148050 556707286 /nfs/dbraw/zinc/70/72/86/556707286.db2.gz QSQCRDJDAVRZCU-NRFANRHFSA-N 0 0 426.605 3.719 50 0 IHAARN CCOc1ccc(CN(Cc2nc(C(=O)NCCOC)co2)Cc2ccc(F)cc2)cc1 ZINC000036068605 556710461 /nfs/dbraw/zinc/71/04/61/556710461.db2.gz JRRYOFVFLQHGHP-UHFFFAOYSA-N 0 0 441.503 3.791 50 0 IHAARN COc1cc(CCC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc(OC)c1 ZINC000011128216 556710708 /nfs/dbraw/zinc/71/07/08/556710708.db2.gz AWZMLGMSWWUJNF-UHFFFAOYSA-N 0 0 431.554 3.592 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1C ZINC000013696617 556712498 /nfs/dbraw/zinc/71/24/98/556712498.db2.gz MWPMJKVEAWTDPK-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000033037799 556723346 /nfs/dbraw/zinc/72/33/46/556723346.db2.gz WSZHOLLJSKVRSC-UHFFFAOYSA-N 0 0 431.540 3.820 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)ccc2=O)cc1 ZINC000033037886 556723632 /nfs/dbraw/zinc/72/36/32/556723632.db2.gz ZEIJZJUHZZWHIF-UHFFFAOYSA-N 0 0 437.931 3.857 50 0 IHAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000061719135 556726073 /nfs/dbraw/zinc/72/60/73/556726073.db2.gz KFCHBMQBDVDPKW-XMMPIXPASA-N 0 0 444.491 3.859 50 0 IHAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 ZINC000061721826 556730117 /nfs/dbraw/zinc/73/01/17/556730117.db2.gz UAVADKXSALVQDY-AWEZNQCLSA-N 0 0 433.873 3.828 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000011149681 556731079 /nfs/dbraw/zinc/73/10/79/556731079.db2.gz IASCOHZUZXQBCJ-UHFFFAOYSA-N 0 0 439.489 3.844 50 0 IHAARN CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 ZINC000019295813 556734559 /nfs/dbraw/zinc/73/45/59/556734559.db2.gz SLDCQTDLGOSGBU-OAQYLSRUSA-N 0 0 428.554 3.885 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000019316451 556735847 /nfs/dbraw/zinc/73/58/47/556735847.db2.gz AMQGYNLXPIOZJA-UHFFFAOYSA-N 0 0 442.610 3.627 50 0 IHAARN CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3ccccc3-c3ccccc3)CC2)no1 ZINC000079092265 556737378 /nfs/dbraw/zinc/73/73/78/556737378.db2.gz VZHHVGVIUSHBLD-UHFFFAOYSA-N 0 0 440.569 3.541 50 0 IHAARN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000079309083 556738449 /nfs/dbraw/zinc/73/84/49/556738449.db2.gz URNSKUWHJVLBHT-ZDUSSCGKSA-N 0 0 434.890 3.567 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000024335340 556739430 /nfs/dbraw/zinc/73/94/30/556739430.db2.gz XYDAGUXLPZOGKI-UHFFFAOYSA-N 0 0 426.338 3.798 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000013795883 556739611 /nfs/dbraw/zinc/73/96/11/556739611.db2.gz MQMZDNJLNQCTQQ-UHFFFAOYSA-N 0 0 431.414 3.758 50 0 IHAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)CNCc2cccnc2)CCC3)cc1 ZINC000055526906 556741604 /nfs/dbraw/zinc/74/16/04/556741604.db2.gz OZGRBYCUBLOTGI-UHFFFAOYSA-N 0 0 436.537 3.621 50 0 IHAARN O=C(N[C@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cccs1 ZINC000019370960 556748510 /nfs/dbraw/zinc/74/85/10/556748510.db2.gz QQFGIKCNYYIEHW-QGZVFWFLSA-N 0 0 432.804 3.992 50 0 IHAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(ccn2Cc2ccccc2)c1 ZINC000206240711 556749503 /nfs/dbraw/zinc/74/95/03/556749503.db2.gz FHYXCWLMTXSODP-JOCHJYFZSA-N 0 0 438.487 3.769 50 0 IHAARN O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058086960 556757377 /nfs/dbraw/zinc/75/73/77/556757377.db2.gz MOILOWVVZSABGG-UHFFFAOYSA-N 0 0 437.479 3.642 50 0 IHAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000058156398 556762582 /nfs/dbraw/zinc/76/25/82/556762582.db2.gz QKPPYXFWXSXZTH-QAPCUYQASA-N 0 0 443.997 3.841 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000058159341 556763847 /nfs/dbraw/zinc/76/38/47/556763847.db2.gz CYRFGKKHCYASGZ-MSOLQXFVSA-N 0 0 430.517 3.908 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000058160756 556764684 /nfs/dbraw/zinc/76/46/84/556764684.db2.gz QHMKXIMZJZEZJB-JKSUJKDBSA-N 0 0 432.362 3.860 50 0 IHAARN O=C(NCc1cccc(Br)c1)c1nc(-c2nc(-c3ccccn3)no2)cs1 ZINC000062007394 556765689 /nfs/dbraw/zinc/76/56/89/556765689.db2.gz HRMWWPPRVHTLIO-UHFFFAOYSA-N 0 0 442.298 3.948 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)c2)cs1 ZINC000062022695 556765910 /nfs/dbraw/zinc/76/59/10/556765910.db2.gz VNUJNVUOGZSMAY-UHFFFAOYSA-N 0 0 445.552 3.949 50 0 IHAARN NC(=O)c1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cn2)c1 ZINC000058167472 556766949 /nfs/dbraw/zinc/76/69/49/556766949.db2.gz CPIFMXNUDXWNSJ-UHFFFAOYSA-N 0 0 435.465 3.656 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000058170303 556767977 /nfs/dbraw/zinc/76/79/77/556767977.db2.gz OQJWPOKCHWKIMF-UHFFFAOYSA-N 0 0 429.564 3.786 50 0 IHAARN CC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)=NN1c1ccccc1 ZINC000058201814 556771175 /nfs/dbraw/zinc/77/11/75/556771175.db2.gz LQOXOKQAMOUZIA-LJQANCHMSA-N 0 0 448.504 3.744 50 0 IHAARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058227555 556774085 /nfs/dbraw/zinc/77/40/85/556774085.db2.gz VMKMSGWUHWFQGD-MRXNPFEDSA-N 0 0 428.496 3.886 50 0 IHAARN O=C(C1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCOCC1 ZINC000058289993 556777749 /nfs/dbraw/zinc/77/77/49/556777749.db2.gz GYFZIOVBNKWTSJ-FTRDYKAISA-N 0 0 436.596 3.622 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)[C@H](Sc3ccccc3)C(C)C)CC2)nc1 ZINC000058296554 556778010 /nfs/dbraw/zinc/77/80/10/556778010.db2.gz REVCFADTKSOEFY-OAQYLSRUSA-N 0 0 427.570 3.724 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc(N4CCOCC4)s3)cc2)cc1 ZINC000058358116 556782882 /nfs/dbraw/zinc/78/28/82/556782882.db2.gz IPYYVPKJDCKYFF-UHFFFAOYSA-N 0 0 447.607 3.808 50 0 IHAARN C[C@@H](C(=O)c1ccc2c(c1)CCC2)n1nnc(-c2ccccc2I)n1 ZINC000058369307 556783392 /nfs/dbraw/zinc/78/33/92/556783392.db2.gz RKJOIDOYYUKLLZ-LBPRGKRZSA-N 0 0 444.276 3.877 50 0 IHAARN O=C(NCc1cccc(N2CCOC2=O)c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000058406714 556786175 /nfs/dbraw/zinc/78/61/75/556786175.db2.gz RODUFMBJBPDKOG-UHFFFAOYSA-N 0 0 441.285 3.521 50 0 IHAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 ZINC000058414427 556786662 /nfs/dbraw/zinc/78/66/62/556786662.db2.gz ALDBEZULMYILQT-OAHLLOKOSA-N 0 0 428.901 3.846 50 0 IHAARN CCn1cnnc1C1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000058419373 556787449 /nfs/dbraw/zinc/78/74/49/556787449.db2.gz YQYJXFPOMPSKNV-UHFFFAOYSA-N 0 0 445.567 3.710 50 0 IHAARN CCOc1cc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(F)F ZINC000058745413 556791697 /nfs/dbraw/zinc/79/16/97/556791697.db2.gz JQYHWDSNNBDOTM-UHFFFAOYSA-N 0 0 425.476 3.577 50 0 IHAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001467247 556793060 /nfs/dbraw/zinc/79/30/60/556793060.db2.gz AHIDNGKXGALZPJ-OAQYLSRUSA-N 0 0 440.496 3.816 50 0 IHAARN O=C(OCCc1cc2cc(Br)ccc2o1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000059253428 556796093 /nfs/dbraw/zinc/79/60/93/556796093.db2.gz KMIYBKQQZXTAKK-LLVKDONJSA-N 0 0 434.208 3.692 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000005411141 556798670 /nfs/dbraw/zinc/79/86/70/556798670.db2.gz LFBZXRHYVFESHI-SELNLUPBSA-N 0 0 426.582 3.615 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ncccn4)CC3)cc12 ZINC000002420883 556799275 /nfs/dbraw/zinc/79/92/75/556799275.db2.gz BNHCUDKDWMCTGI-UHFFFAOYSA-N 0 0 438.944 3.801 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000059420843 556800279 /nfs/dbraw/zinc/80/02/79/556800279.db2.gz INIZOHRAGOCDBC-LBPRGKRZSA-N 0 0 431.377 3.881 50 0 IHAARN COc1cc(C(=O)NCCn2ccc3ccc(Br)cc32)cc(OC)c1OC ZINC000072402048 556801466 /nfs/dbraw/zinc/80/14/66/556801466.db2.gz LVXDJUYWZLJZTL-UHFFFAOYSA-N 0 0 433.302 3.860 50 0 IHAARN C[C@H](CNC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000033052845 556802855 /nfs/dbraw/zinc/80/28/55/556802855.db2.gz QRQPPMOUHHVJER-LJQANCHMSA-N 0 0 441.597 3.605 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)CC1 ZINC000059759585 556804215 /nfs/dbraw/zinc/80/42/15/556804215.db2.gz KBMHEOHJSCPACC-INIZCTEOSA-N 0 0 429.590 3.997 50 0 IHAARN CCS(=O)(=O)N1CCc2c(cccc2NCc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072089756 556805155 /nfs/dbraw/zinc/80/51/55/556805155.db2.gz DLAYRTQPEJMGKI-UHFFFAOYSA-N 0 0 426.538 3.730 50 0 IHAARN CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000060163048 556806918 /nfs/dbraw/zinc/80/69/18/556806918.db2.gz HWFPWBPYFGQUMC-UHFFFAOYSA-N 0 0 427.477 3.715 50 0 IHAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c(OC)c1 ZINC000003283121 556808405 /nfs/dbraw/zinc/80/84/05/556808405.db2.gz PCZYRHNLPWIPAY-CSNYQSHPSA-N 0 0 427.497 3.740 50 0 IHAARN CCN(c1ccccc1C)S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097940880 556810535 /nfs/dbraw/zinc/81/05/35/556810535.db2.gz UGXOPXVWLRMSQP-UHFFFAOYSA-N 0 0 442.541 3.738 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cn(CCC(C)C)c(=O)c3ccccc23)n1 ZINC000072402368 556815092 /nfs/dbraw/zinc/81/50/92/556815092.db2.gz UVDGDOOIYBRHBN-UHFFFAOYSA-N 0 0 427.526 3.862 50 0 IHAARN COc1cccc(-c2nnc(SCn3nnc4ccccc4c3=O)n2-c2ccccc2)c1 ZINC000003427114 556815163 /nfs/dbraw/zinc/81/51/63/556815163.db2.gz XTQHHDRBQRBKJD-UHFFFAOYSA-N 0 0 442.504 3.798 50 0 IHAARN COc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033062112 556817825 /nfs/dbraw/zinc/81/78/25/556817825.db2.gz SWMCAGDERWWQJZ-UHFFFAOYSA-N 0 0 430.917 3.701 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1C ZINC000033062765 556818085 /nfs/dbraw/zinc/81/80/85/556818085.db2.gz ZPWNWLHSABOPSZ-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033067842 556819801 /nfs/dbraw/zinc/81/98/01/556819801.db2.gz VSJGBVPCJYIDBV-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COCCn1c(CN(C)[C@@H](C)c2ccccn2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000063848190 556822006 /nfs/dbraw/zinc/82/20/06/556822006.db2.gz KHBCHMLHYGUWJA-SFHVURJKSA-N 0 0 434.606 3.614 50 0 IHAARN COc1cc(OC)c(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004870396 556824913 /nfs/dbraw/zinc/82/49/13/556824913.db2.gz PIHJQYIEBDQNLU-IOAHRDFVSA-N 0 0 431.529 3.590 50 0 IHAARN O=C(c1ccccc1)C1CCN(C(=O)c2nnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000206649588 556825528 /nfs/dbraw/zinc/82/55/28/556825528.db2.gz AXEAPDRULYDCNX-UHFFFAOYSA-N 0 0 425.492 3.793 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1OC ZINC000005890941 556827235 /nfs/dbraw/zinc/82/72/35/556827235.db2.gz KTFOJIXKAFOUMV-ZHACJKMWSA-N 0 0 426.513 3.981 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000019633863 556833789 /nfs/dbraw/zinc/83/37/89/556833789.db2.gz QZRKFNFQHZPYGR-UHFFFAOYSA-N 0 0 441.509 3.826 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nc(C)n2)n1 ZINC000065364165 556835467 /nfs/dbraw/zinc/83/54/67/556835467.db2.gz OYKCOROAFKMZFV-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN COc1ccc(CN(Cc2csc(-c3ccc(C)o3)n2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000096765403 556842501 /nfs/dbraw/zinc/84/25/01/556842501.db2.gz UBWAQTCRRFGBJV-SFHVURJKSA-N 0 0 432.567 3.909 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c1C ZINC000008726116 556843807 /nfs/dbraw/zinc/84/38/07/556843807.db2.gz JCNWFZGXQTXBNC-UHFFFAOYSA-N 0 0 437.569 3.986 50 0 IHAARN CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000008778949 556846369 /nfs/dbraw/zinc/84/63/69/556846369.db2.gz ZCIOGJOAQJMVJD-FQEVSTJZSA-N 0 0 445.541 3.553 50 0 IHAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000068713449 556849480 /nfs/dbraw/zinc/84/94/80/556849480.db2.gz NNZOLOOPVAFVPH-DEOSSOPVSA-N 0 0 437.517 3.951 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089221 556857849 /nfs/dbraw/zinc/85/78/49/556857849.db2.gz RUYSPHVVODAJMH-LLVKDONJSA-N 0 0 441.281 3.920 50 0 IHAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(I)cc1)c3=O ZINC000033088865 556857935 /nfs/dbraw/zinc/85/79/35/556857935.db2.gz SGHCXIPUEPTTIM-NSHDSACASA-N 0 0 430.245 3.976 50 0 IHAARN Cc1cc(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)ccc1Br ZINC000033106529 556859106 /nfs/dbraw/zinc/85/91/06/556859106.db2.gz OTQMEYOWABZSDK-UHFFFAOYSA-N 0 0 428.334 3.998 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)NCc3ccco3)C2)s1 ZINC000033113059 556859730 /nfs/dbraw/zinc/85/97/30/556859730.db2.gz HYPHKRZTQSOVKH-CYBMUJFWSA-N 0 0 429.477 3.612 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)s1 ZINC000033113451 556860261 /nfs/dbraw/zinc/86/02/61/556860261.db2.gz IQSCRECGDXXTHI-CJNGLKHVSA-N 0 0 449.964 3.512 50 0 IHAARN CC(C)NC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000033114348 556861133 /nfs/dbraw/zinc/86/11/33/556861133.db2.gz ZOCATCABFNJQFP-UHFFFAOYSA-N 0 0 432.452 3.786 50 0 IHAARN COc1cc(C(=O)NCCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000033116187 556862131 /nfs/dbraw/zinc/86/21/31/556862131.db2.gz QNWXDZYKDGQDAM-UHFFFAOYSA-N 0 0 440.540 3.693 50 0 biogenic IHAARN CCn1c(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)nc2cc(C(=O)N(C)C)ccc21 ZINC000033121751 556862764 /nfs/dbraw/zinc/86/27/64/556862764.db2.gz JZBDOZKAWPRMNP-UHFFFAOYSA-N 0 0 442.585 3.504 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033125161 556866237 /nfs/dbraw/zinc/86/62/37/556866237.db2.gz VSIBEMQKGHSMQL-UHFFFAOYSA-N 0 0 437.496 3.664 50 0 IHAARN Cc1ccc(-n2nc(OCC(=O)Nc3ccc(Br)cc3F)ccc2=O)cc1C ZINC000033125103 556866312 /nfs/dbraw/zinc/86/63/12/556866312.db2.gz OCVLALNTXPAVOX-UHFFFAOYSA-N 0 0 446.276 3.768 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1 ZINC000033125690 556866553 /nfs/dbraw/zinc/86/65/53/556866553.db2.gz RWUZZZYKFQOUCP-HNNXBMFYSA-N 0 0 427.888 3.917 50 0 IHAARN O=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000033126052 556866689 /nfs/dbraw/zinc/86/66/89/556866689.db2.gz UJYMACDOSAYXSS-UHFFFAOYSA-N 0 0 427.998 3.763 50 0 IHAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)NC3CCCCCCC3)cc21 ZINC000033129720 556868960 /nfs/dbraw/zinc/86/89/60/556868960.db2.gz BTOBQDFRIMDSLS-UHFFFAOYSA-N 0 0 447.645 3.798 50 0 IHAARN CCOCCCN(C(=S)Nc1ccc(OC)c(Cl)c1)C1CCN(C(C)=O)CC1 ZINC000004687250 556879112 /nfs/dbraw/zinc/87/91/12/556879112.db2.gz MCAWXGLORBONRY-UHFFFAOYSA-N 0 0 427.998 3.785 50 0 IHAARN COc1ccc2nc(NC(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)sc2c1 ZINC000071279143 556879803 /nfs/dbraw/zinc/87/98/03/556879803.db2.gz GDYYYAZNUPVRTL-UHFFFAOYSA-N 0 0 426.885 3.821 50 0 IHAARN Cc1ccc(CNS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)o1 ZINC000033171152 556882086 /nfs/dbraw/zinc/88/20/86/556882086.db2.gz ZQXSGYDILWPRSS-SDQBBNPISA-N 0 0 441.509 3.882 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccc(F)cc1F ZINC000033171891 556882767 /nfs/dbraw/zinc/88/27/67/556882767.db2.gz ZRPPVYNANCKOJA-UHFFFAOYSA-N 0 0 436.871 3.517 50 0 IHAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)cc1 ZINC000033169866 556884939 /nfs/dbraw/zinc/88/49/39/556884939.db2.gz ZYIVYQQRLHMVSC-LBPRGKRZSA-N 0 0 445.248 3.744 50 0 IHAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccccc1 ZINC000033169901 556884998 /nfs/dbraw/zinc/88/49/98/556884998.db2.gz XQXQZIPTCNVECT-CYBMUJFWSA-N 0 0 432.358 3.741 50 0 IHAARN Cc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1F ZINC000033170148 556885503 /nfs/dbraw/zinc/88/55/03/556885503.db2.gz OUXADURPMPPBKH-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)ccc1=O ZINC000033170485 556885970 /nfs/dbraw/zinc/88/59/70/556885970.db2.gz BOJXEJSIVXQWQD-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NCc1ccccc1 ZINC000033170693 556886371 /nfs/dbraw/zinc/88/63/71/556886371.db2.gz UWRCOBKCCXBFPN-BENRWUELSA-N 0 0 441.509 3.599 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)o1 ZINC000033175376 556886927 /nfs/dbraw/zinc/88/69/27/556886927.db2.gz BSAYIZZBVNXOEK-UHFFFAOYSA-N 0 0 448.548 3.881 50 0 IHAARN CCCCSCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000004712752 556890279 /nfs/dbraw/zinc/89/02/79/556890279.db2.gz VLYPWARDUHGDNB-UHFFFAOYSA-N 0 0 426.648 3.811 50 0 IHAARN CCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(Br)cc3F)cc2)no1 ZINC000033258399 556896090 /nfs/dbraw/zinc/89/60/90/556896090.db2.gz YUXSHVRGJXURSG-UHFFFAOYSA-N 0 0 447.264 3.569 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O ZINC000033261739 556899640 /nfs/dbraw/zinc/89/96/40/556899640.db2.gz XRQSEOZHJWWTKF-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000019792817 556915715 /nfs/dbraw/zinc/91/57/15/556915715.db2.gz INOYVMFTVHMSGT-UHFFFAOYSA-N 0 0 430.335 3.790 50 0 IHAARN COc1ccc(-c2noc(CN(Cc3c(C)nn(C)c3C)C(C)C)n2)c(OC)c1OC ZINC000019794779 556916027 /nfs/dbraw/zinc/91/60/27/556916027.db2.gz WJLCWBAERDDAGG-UHFFFAOYSA-N 0 0 429.521 3.523 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc(OC)c1OC ZINC000019819161 556922063 /nfs/dbraw/zinc/92/20/63/556922063.db2.gz QXURRQTZDLFQKZ-UHFFFAOYSA-N 0 0 447.491 3.953 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857493 556931391 /nfs/dbraw/zinc/93/13/91/556931391.db2.gz OYWYLQNPTIAJTP-INIZCTEOSA-N 0 0 426.460 3.886 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000019898583 556941145 /nfs/dbraw/zinc/94/11/45/556941145.db2.gz YDCZBSAOVTWGKR-QFIPXVFZSA-N 0 0 429.476 4.000 50 0 IHAARN COc1ccc([C@H](c2nnnn2C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 ZINC000019900926 556942105 /nfs/dbraw/zinc/94/21/05/556942105.db2.gz IPYMALSTKRNXNW-RUZDIDTESA-N 0 0 441.535 3.741 50 0 IHAARN Cc1c(NC(=O)Nc2ccc(I)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019926609 556945031 /nfs/dbraw/zinc/94/50/31/556945031.db2.gz CTRDJXJTKDEONB-UHFFFAOYSA-N 0 0 448.264 3.733 50 0 IHAARN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000019929078 556947102 /nfs/dbraw/zinc/94/71/02/556947102.db2.gz HJYMGCGAGPXOJS-UHFFFAOYSA-N 0 0 427.570 3.680 50 0 IHAARN CN1CCN(C(=O)c2cnn3c2nc(-c2cccc4ccccc42)cc3C(F)(F)F)CC1 ZINC000020028541 556967702 /nfs/dbraw/zinc/96/77/02/556967702.db2.gz DRGUAGOPRJAHCA-UHFFFAOYSA-N 0 0 439.441 3.956 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000020029114 556968149 /nfs/dbraw/zinc/96/81/49/556968149.db2.gz XUSFXPXSULHEJY-HXUWFJFHSA-N 0 0 432.351 3.752 50 0 IHAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(OC)cc3OC)c2)C1 ZINC000033264147 556973671 /nfs/dbraw/zinc/97/36/71/556973671.db2.gz VOOOVPMAJINWKP-HXUWFJFHSA-N 0 0 425.529 3.543 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2F)c1 ZINC000033264991 556974737 /nfs/dbraw/zinc/97/47/37/556974737.db2.gz HIJSZOOIZJVLFB-UHFFFAOYSA-N 0 0 440.544 3.950 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)ccc2=O)cc1C ZINC000033264855 556974765 /nfs/dbraw/zinc/97/47/65/556974765.db2.gz XJGLFNYGHQHGCD-UHFFFAOYSA-N 0 0 437.931 3.857 50 0 IHAARN CC(C)Cn1c(=O)c2nn(C)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000033265270 556975349 /nfs/dbraw/zinc/97/53/49/556975349.db2.gz MMNVDRVMYBNLCI-UHFFFAOYSA-N 0 0 439.463 3.536 50 0 IHAARN O=C(CCc1ccccc1)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1 ZINC000097956674 556977136 /nfs/dbraw/zinc/97/71/36/556977136.db2.gz QKFMZJVSHUXDPW-UHFFFAOYSA-N 0 0 430.552 3.909 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1 ZINC000033266689 556977627 /nfs/dbraw/zinc/97/76/27/556977627.db2.gz QNJQZKNXQKHFOY-UHFFFAOYSA-N 0 0 435.572 3.772 50 0 IHAARN CCOC(=O)CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116200 556987060 /nfs/dbraw/zinc/98/70/60/556987060.db2.gz ZFQVVPCSPAYJIL-DHUDBDOYSA-N 0 0 440.584 3.588 50 0 IHAARN O=C(NCc1ccc(Br)cc1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000097125695 556991134 /nfs/dbraw/zinc/99/11/34/556991134.db2.gz VEPHBDJZZBLZCN-QGZVFWFLSA-N 0 0 447.720 3.896 50 0 IHAARN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000097145732 556992250 /nfs/dbraw/zinc/99/22/50/556992250.db2.gz BGICGSOOTLLAKM-AWEZNQCLSA-N 0 0 431.483 3.833 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-n2cccn2)c1 ZINC000097163931 556994520 /nfs/dbraw/zinc/99/45/20/556994520.db2.gz PTZFHGVULUPAJB-QGZVFWFLSA-N 0 0 447.520 3.559 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1 ZINC000020176819 556995407 /nfs/dbraw/zinc/99/54/07/556995407.db2.gz JRODLHZWRCEHCH-UHFFFAOYSA-N 0 0 433.508 3.665 50 0 IHAARN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)Cc2cccs2)C[C@H](C)O1 ZINC000020209096 556998210 /nfs/dbraw/zinc/99/82/10/556998210.db2.gz OUPWEEPSBROBKE-GASCZTMLSA-N 0 0 432.977 3.931 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccccc4CC)CC3)c2c1 ZINC000020213192 556998947 /nfs/dbraw/zinc/99/89/47/556998947.db2.gz GSCRTASNXTYWIJ-UHFFFAOYSA-N 0 0 433.552 3.674 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308739 557006793 /nfs/dbraw/zinc/00/67/93/557006793.db2.gz JCAFZMOHALGGFP-HSZRJFAPSA-N 0 0 432.520 3.596 50 0 IHAARN O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020356880 557011088 /nfs/dbraw/zinc/01/10/88/557011088.db2.gz WKUFYGAGTPXMOL-UHFFFAOYSA-N 0 0 442.441 3.810 50 0 IHAARN Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(s2)c(Cl)ccc3C)on1 ZINC000023128098 557012099 /nfs/dbraw/zinc/01/20/99/557012099.db2.gz CONHWWANAVIGGA-UHFFFAOYSA-N 0 0 434.949 3.924 50 0 IHAARN CCN(CCO)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020390535 557012423 /nfs/dbraw/zinc/01/24/23/557012423.db2.gz HPDQPTLWRPEFPT-UHFFFAOYSA-N 0 0 427.574 3.510 50 0 IHAARN CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020391622 557012691 /nfs/dbraw/zinc/01/26/91/557012691.db2.gz JDZOWKQXEHPTLN-HFRGRHLUSA-N 0 0 448.604 3.687 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000045971393 557014300 /nfs/dbraw/zinc/01/43/00/557014300.db2.gz BAPBOAWKZKHYBQ-UHFFFAOYSA-N 0 0 448.483 3.923 50 0 IHAARN Cc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998079 557015756 /nfs/dbraw/zinc/01/57/56/557015756.db2.gz HYAZNXFQECJLAX-UHFFFAOYSA-N 0 0 438.981 3.665 50 0 IHAARN Cc1nn(CCC(=O)NC2CCCCCCC2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000045998177 557015816 /nfs/dbraw/zinc/01/58/16/557015816.db2.gz UKWFOBNYVWIIQZ-UHFFFAOYSA-N 0 0 438.638 3.540 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986695 557016030 /nfs/dbraw/zinc/01/60/30/557016030.db2.gz RTQKNUHOFNDNCA-UHFFFAOYSA-N 0 0 444.582 3.782 50 0 IHAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)NCc3ccc4c(c3)OCO4)cc(C)c12 ZINC000045990971 557016751 /nfs/dbraw/zinc/01/67/51/557016751.db2.gz VUUDHYWADJVFIC-UHFFFAOYSA-N 0 0 448.454 3.600 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(Cl)c(OC)c(OC)c1)CC3 ZINC000023134191 557017007 /nfs/dbraw/zinc/01/70/07/557017007.db2.gz JAFCBERSJXATEP-UHFFFAOYSA-N 0 0 428.872 3.824 50 0 IHAARN COC(=O)c1c(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000010687139 557017704 /nfs/dbraw/zinc/01/77/04/557017704.db2.gz QZBKHVLAXAFTRZ-UHFFFAOYSA-N 0 0 435.567 3.747 50 0 IHAARN CCc1ccccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000046004406 557019193 /nfs/dbraw/zinc/01/91/93/557019193.db2.gz BJDMDOAGDYTWFJ-UHFFFAOYSA-N 0 0 432.590 3.512 50 0 IHAARN Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c1cnn2-c1ccccc1 ZINC000023137525 557019504 /nfs/dbraw/zinc/01/95/04/557019504.db2.gz JVXYIGWVAAFBAI-UHFFFAOYSA-N 0 0 444.564 3.565 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2F)n1)NCCc1c[nH]c2ccccc12 ZINC000023138330 557021333 /nfs/dbraw/zinc/02/13/33/557021333.db2.gz BXBYWDNLWATCNJ-UHFFFAOYSA-N 0 0 436.512 3.996 50 0 IHAARN Cc1nc2ccc(NC(=O)COc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143895 557025662 /nfs/dbraw/zinc/02/56/62/557025662.db2.gz KTEGSCCJBZOBOU-UHFFFAOYSA-N 0 0 447.422 3.579 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1OC ZINC000046054011 557027438 /nfs/dbraw/zinc/02/74/38/557027438.db2.gz PUUSCRQLWFSDBC-UHFFFAOYSA-N 0 0 428.510 3.809 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1 ZINC000046073541 557029760 /nfs/dbraw/zinc/02/97/60/557029760.db2.gz VWXNYPPMZOQIIS-IBGZPJMESA-N 0 0 444.578 3.776 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c1 ZINC000046074352 557030681 /nfs/dbraw/zinc/03/06/81/557030681.db2.gz KDVKJYVNLACNCA-SFHVURJKSA-N 0 0 448.548 3.786 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000046074719 557030982 /nfs/dbraw/zinc/03/09/82/557030982.db2.gz HDYIMMPTMXJNPL-KRWDZBQOSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000046074683 557031025 /nfs/dbraw/zinc/03/10/25/557031025.db2.gz HMCKKDFLHSSGSM-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046074710 557031097 /nfs/dbraw/zinc/03/10/97/557031097.db2.gz LPTVJRYGMGPBLS-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)s2)cc1 ZINC000046124191 557037618 /nfs/dbraw/zinc/03/76/18/557037618.db2.gz XXGMVYPNIOTWAH-INIZCTEOSA-N 0 0 442.566 3.667 50 0 IHAARN COCc1cc(C)nc2sc(-c3nc4ccc(Br)cc4c(=O)[nH]3)c(N)c21 ZINC000078547019 557043331 /nfs/dbraw/zinc/04/33/31/557043331.db2.gz BDBPBNCTIJKUFR-UHFFFAOYSA-N 0 0 431.315 3.999 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1cccnc1 ZINC000017243827 557043769 /nfs/dbraw/zinc/04/37/69/557043769.db2.gz AMSXWBOCMYFMHU-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN CCn1c2cc(NC(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000046145863 557044293 /nfs/dbraw/zinc/04/42/93/557044293.db2.gz WIXPPCSQUDVOHV-UHFFFAOYSA-N 0 0 449.532 3.928 50 0 IHAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022920926 557047253 /nfs/dbraw/zinc/04/72/53/557047253.db2.gz QJUKQMSXZFNURU-AWEZNQCLSA-N 0 0 436.339 3.867 50 0 IHAARN C[C@H]1CN(Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000048248687 557048144 /nfs/dbraw/zinc/04/81/44/557048144.db2.gz YOFKETGIYYHSAN-IRXDYDNUSA-N 0 0 425.554 3.871 50 0 IHAARN COc1ccccc1-n1cnn(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=S ZINC000022927142 557048735 /nfs/dbraw/zinc/04/87/35/557048735.db2.gz HRBXXVYFILVFLO-UHFFFAOYSA-N 0 0 429.977 3.841 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000048261284 557049227 /nfs/dbraw/zinc/04/92/27/557049227.db2.gz NKUMNROOTGMRFJ-IERDGZPVSA-N 0 0 427.932 3.867 50 0 IHAARN CC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000022932945 557050760 /nfs/dbraw/zinc/05/07/60/557050760.db2.gz XSGHNXILPAXUSQ-UHFFFAOYSA-N 0 0 445.873 3.622 50 0 IHAARN Cc1ccc([C@@H]2[C@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C ZINC000048251007 557051903 /nfs/dbraw/zinc/05/19/03/557051903.db2.gz WDHUKSGVZAOITP-RPWUZVMVSA-N 0 0 426.532 3.886 50 0 IHAARN COc1cccc(CC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033272886 557052905 /nfs/dbraw/zinc/05/29/05/557052905.db2.gz ZSGXLWZHLNXSIP-UHFFFAOYSA-N 0 0 436.537 3.748 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCN(C)CC2)o1 ZINC000022938475 557053415 /nfs/dbraw/zinc/05/34/15/557053415.db2.gz WFOJMEIGCFTKTM-QHCPKHFHSA-N 0 0 448.567 3.840 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000048289044 557054406 /nfs/dbraw/zinc/05/44/06/557054406.db2.gz UNQPRPXAKGGBTJ-OAHLLOKOSA-N 0 0 437.393 3.746 50 0 IHAARN O=S(=O)(Nc1ccccc1I)c1cccc(OC(F)(F)F)c1 ZINC000022957251 557054454 /nfs/dbraw/zinc/05/44/54/557054454.db2.gz POSICUILUJPSTA-UHFFFAOYSA-N 0 0 443.184 3.991 50 0 IHAARN Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c1 ZINC000033276259 557056437 /nfs/dbraw/zinc/05/64/37/557056437.db2.gz JYGVWZMTESQVRD-OAHLLOKOSA-N 0 0 440.525 3.536 50 0 IHAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(-c2ccc(C(=O)NC)cc2)n3C)cc1 ZINC000033277001 557057912 /nfs/dbraw/zinc/05/79/12/557057912.db2.gz AHNBHFHZQOUTQG-UHFFFAOYSA-N 0 0 448.548 3.963 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000048303276 557058420 /nfs/dbraw/zinc/05/84/20/557058420.db2.gz RJLKAXPYZPDWTK-LJQANCHMSA-N 0 0 443.475 3.816 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)cc1C ZINC000033277204 557058931 /nfs/dbraw/zinc/05/89/31/557058931.db2.gz AKRXIULDGGOCBE-UHFFFAOYSA-N 0 0 441.601 3.565 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)c1 ZINC000033277196 557058956 /nfs/dbraw/zinc/05/89/56/557058956.db2.gz CWBHBVXTBBHXDF-UHFFFAOYSA-N 0 0 441.601 3.565 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000048304281 557059314 /nfs/dbraw/zinc/05/93/14/557059314.db2.gz MBIZEYHDPFWOPW-NRFANRHFSA-N 0 0 447.988 3.582 50 0 IHAARN CCCn1nc(C(=O)N(c2cnn(C)c2)[C@H](C)c2cccc(OC)c2)c2ccccc2c1=O ZINC000048309226 557059425 /nfs/dbraw/zinc/05/94/25/557059425.db2.gz NXGGSGSXIZYGHZ-QGZVFWFLSA-N 0 0 445.523 3.957 50 0 IHAARN CCN(CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000023074423 557061382 /nfs/dbraw/zinc/06/13/82/557061382.db2.gz DFXTUAQIECZUIQ-MRXNPFEDSA-N 0 0 432.362 3.600 50 0 IHAARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H](OCC(F)(F)F)c1ccccc1 ZINC000048302544 557063623 /nfs/dbraw/zinc/06/36/23/557063623.db2.gz RABRVWBYVFLKCB-LJQANCHMSA-N 0 0 426.479 3.994 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1C ZINC000048324523 557065354 /nfs/dbraw/zinc/06/53/54/557065354.db2.gz RWAACPYSNAAWFZ-MSOLQXFVSA-N 0 0 425.495 3.755 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1C ZINC000048324526 557065356 /nfs/dbraw/zinc/06/53/56/557065356.db2.gz RWAACPYSNAAWFZ-ZWKOTPCHSA-N 0 0 425.495 3.755 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)c1 ZINC000033288390 557065540 /nfs/dbraw/zinc/06/55/40/557065540.db2.gz QYXQTBSEKTVMBO-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000048325063 557065935 /nfs/dbraw/zinc/06/59/35/557065935.db2.gz BJOWECKVWFENQK-KRWDZBQOSA-N 0 0 429.542 3.985 50 0 IHAARN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000023128429 557066000 /nfs/dbraw/zinc/06/60/00/557066000.db2.gz IIDMCGSLIMOVIL-QGZVFWFLSA-N 0 0 427.451 3.661 50 0 IHAARN COC(=O)c1cn(CC(=O)N[C@H](C)Cc2ccc(Br)cc2)c2ccccc12 ZINC000048312303 557066884 /nfs/dbraw/zinc/06/68/84/557066884.db2.gz KDNRMCGHRFDZMV-CQSZACIVSA-N 0 0 429.314 3.938 50 0 IHAARN O=C(Cc1ccccc1Cl)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000033282568 557068019 /nfs/dbraw/zinc/06/80/19/557068019.db2.gz VJFPDDYXOQTWGL-UHFFFAOYSA-N 0 0 447.969 3.725 50 0 IHAARN CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 ZINC000033291307 557069353 /nfs/dbraw/zinc/06/93/53/557069353.db2.gz SLGNFDGQHZPQLG-OAHLLOKOSA-N 0 0 438.509 3.638 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(Cl)c3)c2N)c(C)o1 ZINC000033291788 557070090 /nfs/dbraw/zinc/07/00/90/557070090.db2.gz CTBAWRSPFQDZPE-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000048343361 557071326 /nfs/dbraw/zinc/07/13/26/557071326.db2.gz CELOFCBVDFOGCF-KBPBESRZSA-N 0 0 439.387 3.564 50 0 IHAARN CCOC(=O)c1cc(C)n(CC(=O)N(c2cnn(C)c2)[C@H](C)c2cccc(OC)c2)c1C ZINC000048344862 557071631 /nfs/dbraw/zinc/07/16/31/557071631.db2.gz ZFJQYKWKPGIDRQ-QGZVFWFLSA-N 0 0 438.528 3.818 50 0 IHAARN O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000048353966 557072288 /nfs/dbraw/zinc/07/22/88/557072288.db2.gz ATYPGDYBARZHTP-LJQANCHMSA-N 0 0 439.947 3.796 50 0 IHAARN Cc1ccc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(C)c1 ZINC000048355795 557074216 /nfs/dbraw/zinc/07/42/16/557074216.db2.gz YKSNDRBBDNUGDY-UHFFFAOYSA-N 0 0 432.450 3.639 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033298930 557074954 /nfs/dbraw/zinc/07/49/54/557074954.db2.gz XMXCKMRUUFYNCI-UHFFFAOYSA-N 0 0 430.960 3.685 50 0 IHAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)c1 ZINC000048375385 557076330 /nfs/dbraw/zinc/07/63/30/557076330.db2.gz MJDZFMHRIPUAGD-LJQANCHMSA-N 0 0 439.375 3.573 50 0 IHAARN COC(=O)c1cc(NCC(=O)N[C@H](C)c2ccc(Br)cc2)c(F)cc1F ZINC000048374644 557076616 /nfs/dbraw/zinc/07/66/16/557076616.db2.gz OGRUTHPLWXJCAA-SNVBAGLBSA-N 0 0 427.245 3.803 50 0 IHAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1CO)O[C@@H](C)C2 ZINC000010900597 557077248 /nfs/dbraw/zinc/07/72/48/557077248.db2.gz KONUEMGKZMQRQS-LBPRGKRZSA-N 0 0 436.302 3.681 50 0 IHAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)NCCc2ccc(Cl)cc2)c3=O)cc1 ZINC000033300059 557078608 /nfs/dbraw/zinc/07/86/08/557078608.db2.gz YVWQENKFWMXHIY-UHFFFAOYSA-N 0 0 438.940 3.841 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)Nc2ccccc2)c(=O)c2ccc(C)nc21 ZINC000049002017 557081423 /nfs/dbraw/zinc/08/14/23/557081423.db2.gz WXMKTRHPFDCZCT-UHFFFAOYSA-N 0 0 442.475 3.605 50 0 IHAARN CCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 ZINC000023271188 557081508 /nfs/dbraw/zinc/08/15/08/557081508.db2.gz SYMUDVSMMJLZIX-UHFFFAOYSA-N 0 0 429.567 3.804 50 0 IHAARN Cc1cccc(NC(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)c1 ZINC000049002111 557081681 /nfs/dbraw/zinc/08/16/81/557081681.db2.gz ZCYSBUCMOGCAHA-UHFFFAOYSA-N 0 0 440.503 3.582 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(SC)c3)c2c1=O ZINC000048988104 557083150 /nfs/dbraw/zinc/08/31/50/557083150.db2.gz HNPROXKWDOSGPQ-UHFFFAOYSA-N 0 0 448.548 3.872 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(OC)cc3)c2c1=O ZINC000048989120 557083417 /nfs/dbraw/zinc/08/34/17/557083417.db2.gz SYQPXOUNICLJON-UHFFFAOYSA-N 0 0 446.507 3.549 50 0 IHAARN COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000014705980 557083627 /nfs/dbraw/zinc/08/36/27/557083627.db2.gz SFXKHGKIOLKMMP-UHFFFAOYSA-N 0 0 431.554 3.963 50 0 IHAARN Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)N3CCC(C)CC3)n2N)c1 ZINC000023328346 557084462 /nfs/dbraw/zinc/08/44/62/557084462.db2.gz KRJXIVFSSOEBCE-KRWDZBQOSA-N 0 0 431.606 3.742 50 0 IHAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000049005493 557084624 /nfs/dbraw/zinc/08/46/24/557084624.db2.gz HQSIYWXZCLJEOF-UHFFFAOYSA-N 0 0 438.553 3.957 50 0 IHAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1NC(=O)C1CC1 ZINC000033306614 557085775 /nfs/dbraw/zinc/08/57/75/557085775.db2.gz CXZUDCZAXZYJIX-FNORWQNLSA-N 0 0 435.571 3.984 50 0 IHAARN Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)nc23)cc1 ZINC000049008330 557086248 /nfs/dbraw/zinc/08/62/48/557086248.db2.gz YIOUTUUCDITILA-UHFFFAOYSA-N 0 0 443.385 3.649 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c(Oc4ccc(Cl)cc4)nccn3c2=O)c(C)c1 ZINC000049008712 557086612 /nfs/dbraw/zinc/08/66/12/557086612.db2.gz NBRLZWSHHHQBQW-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN CCc1ccccc1NC(=O)Cn1nc2c(Sc3ccccc3CC)nccn2c1=O ZINC000049009089 557087235 /nfs/dbraw/zinc/08/72/35/557087235.db2.gz IZTCSWVGOUIXEJ-UHFFFAOYSA-N 0 0 433.537 3.806 50 0 IHAARN CCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)nn2)cc1 ZINC000033308171 557087947 /nfs/dbraw/zinc/08/79/47/557087947.db2.gz UXDSSPULEUSLFM-UHFFFAOYSA-N 0 0 439.585 3.929 50 0 IHAARN Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)NCc3cccc4ccccc43)n2)s1 ZINC000049030833 557089329 /nfs/dbraw/zinc/08/93/29/557089329.db2.gz GKHPHJHATGDNAU-UHFFFAOYSA-N 0 0 433.537 3.636 50 0 IHAARN CCc1ccc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000049002166 557089757 /nfs/dbraw/zinc/08/97/57/557089757.db2.gz CMGGCHASANTKRR-UHFFFAOYSA-N 0 0 432.524 3.578 50 0 IHAARN COc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1 ZINC000049002358 557090194 /nfs/dbraw/zinc/09/01/94/557090194.db2.gz NHFRJWCWFLGHIF-UHFFFAOYSA-N 0 0 449.536 3.955 50 0 IHAARN COCCCNC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 ZINC000049003685 557091742 /nfs/dbraw/zinc/09/17/42/557091742.db2.gz YAGMWKCWGILMLD-UHFFFAOYSA-N 0 0 439.825 3.768 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000033309868 557092630 /nfs/dbraw/zinc/09/26/30/557092630.db2.gz VZXTTYBZBHITRL-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2oc1C(=O)NCc1ccccn1 ZINC000004762513 557093549 /nfs/dbraw/zinc/09/35/49/557093549.db2.gz OJKZYFPEHNTWLH-HOTGVXAUSA-N 0 0 441.553 3.733 50 0 IHAARN CN(C)C(=O)[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017481085 557094623 /nfs/dbraw/zinc/09/46/23/557094623.db2.gz CYOWUBFHMPPVCW-HSZRJFAPSA-N 0 0 426.476 3.921 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CN2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 ZINC000049363131 557094726 /nfs/dbraw/zinc/09/47/26/557094726.db2.gz RDLOPYWVACQOTN-UHFFFAOYSA-N 0 0 440.525 3.793 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccc(F)cc3)cn(C)c2c1=O ZINC000049401468 557097026 /nfs/dbraw/zinc/09/70/26/557097026.db2.gz CZOGLACDPXCZFR-QGZVFWFLSA-N 0 0 432.499 3.679 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)cc1Cl ZINC000049401729 557097334 /nfs/dbraw/zinc/09/73/34/557097334.db2.gz KZLYECXNXLXHNZ-UHFFFAOYSA-N 0 0 425.901 3.824 50 0 IHAARN O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033313071 557097913 /nfs/dbraw/zinc/09/79/13/557097913.db2.gz TYDWPSQJLAACBR-UHFFFAOYSA-N 0 0 431.515 3.845 50 0 IHAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3cc(F)cc(F)c3)cccn12 ZINC000049405194 557100362 /nfs/dbraw/zinc/10/03/62/557100362.db2.gz PWHLXWBLLBXAMS-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN CCCc1cc(=O)oc2cc(OC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)ccc12 ZINC000017642599 557101725 /nfs/dbraw/zinc/10/17/25/557101725.db2.gz UCJHYXPXBSHADV-UHFFFAOYSA-N 0 0 436.489 3.991 50 0 IHAARN COc1cccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)[nH]n2)c1 ZINC000049406560 557101955 /nfs/dbraw/zinc/10/19/55/557101955.db2.gz PYNYUORLXLYPMF-UHFFFAOYSA-N 0 0 438.915 3.773 50 0 IHAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000049406673 557102276 /nfs/dbraw/zinc/10/22/76/557102276.db2.gz PNSVMINHRXTWPQ-UHFFFAOYSA-N 0 0 432.524 3.737 50 0 IHAARN CC(C)(C)C1CCC(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000011342739 557103548 /nfs/dbraw/zinc/10/35/48/557103548.db2.gz VNVDSLGZQFLYGT-QLOJAFMTSA-N 0 0 435.586 3.602 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3cc(F)cc(F)c3)cn12 ZINC000049408602 557103738 /nfs/dbraw/zinc/10/37/38/557103738.db2.gz LSJVBHOHTTYLNB-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cc1ccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)cc1 ZINC000049409680 557104935 /nfs/dbraw/zinc/10/49/35/557104935.db2.gz KGQQEWFGBMWJNI-HXUWFJFHSA-N 0 0 432.572 3.999 50 0 IHAARN CCOc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)nc3n2CCS3(=O)=O)cc1 ZINC000086069221 557107757 /nfs/dbraw/zinc/10/77/57/557107757.db2.gz BIQLNFAIWOEPNW-UHFFFAOYSA-N 0 0 431.901 3.642 50 0 IHAARN Cc1nn(C)c2ncc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000023702989 557108271 /nfs/dbraw/zinc/10/82/71/557108271.db2.gz CDNKXUKRTZYMQX-UHFFFAOYSA-N 0 0 425.536 3.824 50 0 IHAARN Cc1ccc(C)c2sc(OC3CCN(C(=O)Cn4c5ccccc5oc4=O)CC3)nc21 ZINC000049442656 557110186 /nfs/dbraw/zinc/11/01/86/557110186.db2.gz LESXOEOAJVCZPN-UHFFFAOYSA-N 0 0 437.521 3.891 50 0 IHAARN COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c(OC)c1OC ZINC000049545908 557111446 /nfs/dbraw/zinc/11/14/46/557111446.db2.gz RVMDXWXJYBYLNB-HNNXBMFYSA-N 0 0 444.484 3.812 50 0 IHAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000023736711 557112009 /nfs/dbraw/zinc/11/20/09/557112009.db2.gz XEQHHKDJUTXTQJ-UHFFFAOYSA-N 0 0 435.549 3.615 50 0 IHAARN O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000049551082 557113553 /nfs/dbraw/zinc/11/35/53/557113553.db2.gz MGHBRAOITBINNS-AWEZNQCLSA-N 0 0 430.295 3.625 50 0 IHAARN CC[C@H](NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000049625235 557115893 /nfs/dbraw/zinc/11/58/93/557115893.db2.gz RELHNTYDSWUANL-HNNXBMFYSA-N 0 0 432.318 3.944 50 0 IHAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000023786997 557116107 /nfs/dbraw/zinc/11/61/07/557116107.db2.gz DOFQTZWDOSTYRW-UHFFFAOYSA-N 0 0 442.606 3.894 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590353 557116893 /nfs/dbraw/zinc/11/68/93/557116893.db2.gz RFXKGEHXVFKYBC-XMMPIXPASA-N 0 0 444.531 3.593 50 0 IHAARN O=C1c2ccccc2N[C@H](c2ccccc2Br)N1CCCN1CCOCC1 ZINC000023818954 557118628 /nfs/dbraw/zinc/11/86/28/557118628.db2.gz XKZUXXSJJHVVCD-FQEVSTJZSA-N 0 0 430.346 3.738 50 0 IHAARN CCCC[C@H](CC)CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O ZINC000004791704 557124574 /nfs/dbraw/zinc/12/45/74/557124574.db2.gz NEKJNZOQJHOHEA-AWEZNQCLSA-N 0 0 438.366 3.565 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1 ZINC000023936743 557126570 /nfs/dbraw/zinc/12/65/70/557126570.db2.gz YYIBVXSFTHIMSN-NRFANRHFSA-N 0 0 437.565 3.930 50 0 IHAARN CSCC[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064708 557127596 /nfs/dbraw/zinc/12/75/96/557127596.db2.gz WHUSFAGRYYWFAT-INIZCTEOSA-N 0 0 433.327 3.806 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(Cc4ccsc4)CC3)c2c1C ZINC000023956093 557127623 /nfs/dbraw/zinc/12/76/23/557127623.db2.gz CTBAWVBZPVIQOU-UHFFFAOYSA-N 0 0 443.642 3.524 50 0 IHAARN Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000000656559 557129531 /nfs/dbraw/zinc/12/95/31/557129531.db2.gz DTDRYQBSMZWJFN-VIFPVBQESA-N 0 0 439.379 3.746 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccccc1CN1CCOCC1 ZINC000023989912 557130198 /nfs/dbraw/zinc/13/01/98/557130198.db2.gz JWYXCFRNIASKHZ-UHFFFAOYSA-N 0 0 433.556 3.652 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023989943 557130285 /nfs/dbraw/zinc/13/02/85/557130285.db2.gz GDQVUZQPMKZJEF-UHFFFAOYSA-N 0 0 445.567 3.783 50 0 IHAARN Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)sc1C ZINC000024042513 557133567 /nfs/dbraw/zinc/13/35/67/557133567.db2.gz GKIYTSBEFKMWOX-UHFFFAOYSA-N 0 0 444.376 3.559 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br ZINC000000679939 557134617 /nfs/dbraw/zinc/13/46/17/557134617.db2.gz PKQFJHXTPSVQKS-YCRREMRBSA-N 0 0 445.313 3.582 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000017968994 557134879 /nfs/dbraw/zinc/13/48/79/557134879.db2.gz FMQJFXURIWDMJH-UHFFFAOYSA-N 0 0 433.302 3.518 50 0 IHAARN COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1 ZINC000024773408 557137394 /nfs/dbraw/zinc/13/73/94/557137394.db2.gz XLTHIOOYKFTFKM-UHFFFAOYSA-N 0 0 432.933 3.984 50 0 IHAARN O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137198 557138223 /nfs/dbraw/zinc/13/82/23/557138223.db2.gz WVXASMGZDBAZTG-UHFFFAOYSA-N 0 0 438.528 3.567 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 ZINC000011406604 557142218 /nfs/dbraw/zinc/14/22/18/557142218.db2.gz VWUYDLBNDDXOQZ-INIZCTEOSA-N 0 0 432.480 3.501 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 ZINC000024288753 557143208 /nfs/dbraw/zinc/14/32/08/557143208.db2.gz UQGZJRTWBJBEFD-UHFFFAOYSA-N 0 0 429.476 3.758 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000024323677 557144170 /nfs/dbraw/zinc/14/41/70/557144170.db2.gz WUQDVWDTGRFFHZ-UHFFFAOYSA-N 0 0 434.945 3.798 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000024381915 557146109 /nfs/dbraw/zinc/14/61/09/557146109.db2.gz PSZDCCGALVHZOE-SFTDATJTSA-N 0 0 430.552 3.857 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000024488039 557147984 /nfs/dbraw/zinc/14/79/84/557147984.db2.gz QFYIWDOWNMNXTL-UHFFFAOYSA-N 0 0 425.558 3.825 50 0 IHAARN CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)c(C(=O)OCC)c1C ZINC000000718680 557148915 /nfs/dbraw/zinc/14/89/15/557148915.db2.gz YBCPXYLMIUHNRE-UHFFFAOYSA-N 0 0 427.425 3.706 50 0 IHAARN COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000011447277 557148994 /nfs/dbraw/zinc/14/89/94/557148994.db2.gz LNVZOEMPYNHIGF-XMMPIXPASA-N 0 0 443.503 3.932 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4oc3=O)CC2)cc1 ZINC000000720048 557149579 /nfs/dbraw/zinc/14/95/79/557149579.db2.gz RCCUPVYZUAMKBN-UHFFFAOYSA-N 0 0 427.298 3.826 50 0 IHAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n(C[C@H]2CCCO2)c1C ZINC000024514148 557149748 /nfs/dbraw/zinc/14/97/48/557149748.db2.gz FBWLENZBCWSPSD-RHSMWYFYSA-N 0 0 428.558 3.535 50 0 IHAARN Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000024525642 557150130 /nfs/dbraw/zinc/15/01/30/557150130.db2.gz ZUURBFWRTYBOBM-MRXNPFEDSA-N 0 0 444.582 3.550 50 0 IHAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024529375 557150404 /nfs/dbraw/zinc/15/04/04/557150404.db2.gz PZTFBVABNAYHBG-UHFFFAOYSA-N 0 0 432.545 3.872 50 0 IHAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCO[C@H](C)C1 ZINC000011497268 557153815 /nfs/dbraw/zinc/15/38/15/557153815.db2.gz AORWVYUTWCGTFF-ZIAGYGMSSA-N 0 0 429.567 3.521 50 0 IHAARN O=c1cc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2ccccn12 ZINC000023291914 557155047 /nfs/dbraw/zinc/15/50/47/557155047.db2.gz VAZLCHSLYXKPQF-UHFFFAOYSA-N 0 0 446.501 3.880 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1 ZINC000024612210 557155441 /nfs/dbraw/zinc/15/54/41/557155441.db2.gz UUEHHBYRNRJBBB-UHFFFAOYSA-N 0 0 430.570 3.963 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000011508676 557155462 /nfs/dbraw/zinc/15/54/62/557155462.db2.gz HSFFKGSEWPFXKG-UHFFFAOYSA-N 0 0 426.476 3.697 50 0 IHAARN CN1C(=O)c2ccc(NC(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)cc2C1=O ZINC000024696496 557159023 /nfs/dbraw/zinc/15/90/23/557159023.db2.gz LAHVKIJPDSIFSR-UHFFFAOYSA-N 0 0 434.452 3.609 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024730789 557161099 /nfs/dbraw/zinc/16/10/99/557161099.db2.gz HHHVUNTUWRVBAB-QHCPKHFHSA-N 0 0 437.503 3.763 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1)c1ccco1 ZINC000011547072 557162000 /nfs/dbraw/zinc/16/20/00/557162000.db2.gz DEMDSYJKEWKNGC-SFHVURJKSA-N 0 0 433.512 3.870 50 0 IHAARN CN(C)C(=O)CN1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 ZINC000024767329 557165213 /nfs/dbraw/zinc/16/52/13/557165213.db2.gz OXODOIQJCPKILS-UHFFFAOYSA-N 0 0 431.565 3.722 50 0 IHAARN CC(C)OC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000024774511 557166198 /nfs/dbraw/zinc/16/61/98/557166198.db2.gz IZVRZYBOEPZSAK-UHFFFAOYSA-N 0 0 433.302 3.773 50 0 IHAARN CCOc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000024838352 557166855 /nfs/dbraw/zinc/16/68/55/557166855.db2.gz JAMWUXGLHNUGHA-KRWDZBQOSA-N 0 0 446.389 3.847 50 0 IHAARN COC(=O)c1cccc(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)c1 ZINC000024799834 557168010 /nfs/dbraw/zinc/16/80/10/557168010.db2.gz JCIRVJBTXWOXHZ-UHFFFAOYSA-N 0 0 449.459 3.613 50 0 IHAARN Cc1cc(OCC[S@](=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1C(C)C ZINC000024830325 557170100 /nfs/dbraw/zinc/17/01/00/557170100.db2.gz QCDDVCOUDOMIRV-WJOKGBTCSA-N 0 0 446.588 3.734 50 0 IHAARN Cc1cc(OCC[S@@](=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1C(C)C ZINC000024830322 557170159 /nfs/dbraw/zinc/17/01/59/557170159.db2.gz QCDDVCOUDOMIRV-HKBQPEDESA-N 0 0 446.588 3.734 50 0 IHAARN CC(C)n1ncc2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cnc21 ZINC000024832546 557170939 /nfs/dbraw/zinc/17/09/39/557170939.db2.gz DOQRPJHKOWJZKU-UHFFFAOYSA-N 0 0 435.406 3.622 50 0 IHAARN COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(OC)c1OC ZINC000024834952 557171982 /nfs/dbraw/zinc/17/19/82/557171982.db2.gz OGRFXEWAZFADQY-JOCHJYFZSA-N 0 0 429.513 3.930 50 0 IHAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3)C1=CCCC1 ZINC000024865676 557175353 /nfs/dbraw/zinc/17/53/53/557175353.db2.gz YFGYZDDERMWYDP-HNNXBMFYSA-N 0 0 445.610 3.744 50 0 IHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010964786 557175724 /nfs/dbraw/zinc/17/57/24/557175724.db2.gz BTYXPXKNKYRBIU-MRXNPFEDSA-N 0 0 440.587 3.641 50 0 IHAARN NS(=O)(=O)c1ccc(OCCSc2nc(-c3ccco3)nc3ccccc32)cc1 ZINC000024879476 557176658 /nfs/dbraw/zinc/17/66/58/557176658.db2.gz YUSVDAVIVNBSDU-UHFFFAOYSA-N 0 0 427.507 3.708 50 0 IHAARN O=C(OCc1coc(-c2cccs2)n1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000024890086 557177266 /nfs/dbraw/zinc/17/72/66/557177266.db2.gz JEJUSIPWGRMAOF-HNNXBMFYSA-N 0 0 438.461 3.535 50 0 IHAARN Cc1ccc(OCC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000024918818 557178613 /nfs/dbraw/zinc/17/86/13/557178613.db2.gz UUVNHNZVEBHTGR-UHFFFAOYSA-N 0 0 425.529 3.981 50 0 IHAARN O=C(c1cc(Br)c[nH]1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920900 557178632 /nfs/dbraw/zinc/17/86/32/557178632.db2.gz BWHZWDHNUWRSDK-UHFFFAOYSA-N 0 0 449.349 3.998 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2c[nH]c3ccccc32)cc1 ZINC000024924017 557179520 /nfs/dbraw/zinc/17/95/20/557179520.db2.gz DOQYMKXJVYTZCU-QFIPXVFZSA-N 0 0 438.491 3.714 50 0 IHAARN O=C(NCCNC(=O)c1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000024928545 557180935 /nfs/dbraw/zinc/18/09/35/557180935.db2.gz DGORAEGNYPNQMS-UHFFFAOYSA-N 0 0 433.199 3.767 50 0 IHAARN COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1OC ZINC000097985868 557182528 /nfs/dbraw/zinc/18/25/28/557182528.db2.gz MYNKVMWAKBPEJY-KWKPKBFNSA-N 0 0 438.505 3.570 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2ccccc2Br)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000024969522 557183681 /nfs/dbraw/zinc/18/36/81/557183681.db2.gz LHDKSRTVLMDKMY-GFCCVEGCSA-N 0 0 440.363 3.555 50 0 IHAARN CC(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 ZINC000024969815 557183707 /nfs/dbraw/zinc/18/37/07/557183707.db2.gz AVVZJLQLJPAMGJ-QHCPKHFHSA-N 0 0 436.531 3.765 50 0 IHAARN CCc1nc(SCC(=O)Nc2sccc2C(N)=O)nc(N)c1-c1ccc(Cl)cc1 ZINC000024989587 557187370 /nfs/dbraw/zinc/18/73/70/557187370.db2.gz ZVPSIOLJJMSASN-UHFFFAOYSA-N 0 0 447.973 3.833 50 0 IHAARN CCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000100821233 557187543 /nfs/dbraw/zinc/18/75/43/557187543.db2.gz OSSZXFGTUBPBKC-GBWQBGJGSA-N 0 0 443.594 3.884 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)n2C ZINC000100843402 557191446 /nfs/dbraw/zinc/19/14/46/557191446.db2.gz DKNMSDYLROYZKL-GHVJWSGMSA-N 0 0 443.594 3.854 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2CC(C)C)cc1OC ZINC000009699357 557191458 /nfs/dbraw/zinc/19/14/58/557191458.db2.gz HYJIPMXNWIVKEL-UHFFFAOYSA-N 0 0 433.559 3.806 50 0 IHAARN CCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CCC1 ZINC000096280084 557193995 /nfs/dbraw/zinc/19/39/95/557193995.db2.gz RCUGLHLKNMTOSL-UHFFFAOYSA-N 0 0 449.599 3.529 50 0 IHAARN COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@H]4C)C3)cc(=O)oc2c1 ZINC000007331868 557195070 /nfs/dbraw/zinc/19/50/70/557195070.db2.gz MBKIVMRPBMBQRT-AXHMDWHKSA-N 0 0 427.497 3.518 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000025118457 557195882 /nfs/dbraw/zinc/19/58/82/557195882.db2.gz ROYZJSKYYKNAKH-UHFFFAOYSA-N 0 0 432.498 3.882 50 0 IHAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cccc(Br)c1 ZINC000100873060 557195906 /nfs/dbraw/zinc/19/59/06/557195906.db2.gz PZSWMNKJYHWZOM-QOCHGBHMSA-N 0 0 448.342 3.811 50 0 IHAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000010971967 557197268 /nfs/dbraw/zinc/19/72/68/557197268.db2.gz UNIVTLIREBHSFL-HOTGVXAUSA-N 0 0 449.454 3.642 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1OC ZINC000003186025 557199769 /nfs/dbraw/zinc/19/97/69/557199769.db2.gz SESVZRBQAJWIIK-UHFFFAOYSA-N 0 0 437.477 3.733 50 0 IHAARN Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000025265805 557201793 /nfs/dbraw/zinc/20/17/93/557201793.db2.gz MTRLXOHHWNOWGF-UHFFFAOYSA-N 0 0 441.988 3.572 50 0 IHAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025339557 557204817 /nfs/dbraw/zinc/20/48/17/557204817.db2.gz SCMZQHMXWPXBIX-GFCCVEGCSA-N 0 0 438.837 3.797 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2Br)o1 ZINC000013985726 557205199 /nfs/dbraw/zinc/20/51/99/557205199.db2.gz CQRNNPIOOVEPPU-UHFFFAOYSA-N 0 0 430.283 3.887 50 0 IHAARN COc1cc(C)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC ZINC000011605183 557207902 /nfs/dbraw/zinc/20/79/02/557207902.db2.gz RMJCGXZPIBACOH-UHFFFAOYSA-N 0 0 427.526 3.760 50 0 IHAARN COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(C)c1 ZINC000169621132 557208585 /nfs/dbraw/zinc/20/85/85/557208585.db2.gz CDUQVQPFRWZPLR-QHCPKHFHSA-N 0 0 428.492 3.965 50 0 IHAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169677578 557209516 /nfs/dbraw/zinc/20/95/16/557209516.db2.gz NHTMUPWSDQXLJY-CTNGQTDRSA-N 0 0 433.449 3.991 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)cc(OC)c1OC ZINC000169766308 557211727 /nfs/dbraw/zinc/21/17/27/557211727.db2.gz HITUXCHLXNNFOF-NRFANRHFSA-N 0 0 439.512 3.757 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 ZINC000011617236 557212753 /nfs/dbraw/zinc/21/27/53/557212753.db2.gz PXGOPNUEIFOFGZ-UHFFFAOYSA-N 0 0 434.518 3.627 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000000798712 557213649 /nfs/dbraw/zinc/21/36/49/557213649.db2.gz HRXSKTNXDVERTE-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)CC3 ZINC000025543582 557213768 /nfs/dbraw/zinc/21/37/68/557213768.db2.gz JBTWFJBMBOTRDA-HSZRJFAPSA-N 0 0 427.504 3.995 50 0 IHAARN C=CC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000025572697 557215015 /nfs/dbraw/zinc/21/50/15/557215015.db2.gz CFRJRPXHSQQNSW-JTQLQIEISA-N 0 0 431.570 3.734 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1NS(C)(=O)=O ZINC000025599983 557218355 /nfs/dbraw/zinc/21/83/55/557218355.db2.gz LZRYGIZRAZOQMZ-UHFFFAOYSA-N 0 0 448.570 3.556 50 0 IHAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1ccco1 ZINC000018018780 557218934 /nfs/dbraw/zinc/21/89/34/557218934.db2.gz QXCTVTPDUUTFOC-UHFFFAOYSA-N 0 0 435.480 3.669 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1OC ZINC000025613740 557219312 /nfs/dbraw/zinc/21/93/12/557219312.db2.gz VRUPRGGKKPXEFL-QZTJIDSGSA-N 0 0 431.920 3.820 50 0 IHAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011650114 557219675 /nfs/dbraw/zinc/21/96/75/557219675.db2.gz CCSPNOHOOMJMHP-INIZCTEOSA-N 0 0 445.285 3.519 50 0 IHAARN CCOc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000802963 557220891 /nfs/dbraw/zinc/22/08/91/557220891.db2.gz BXWFILSNQGEAIP-UHFFFAOYSA-N 0 0 448.928 3.843 50 0 IHAARN Cc1cc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c(C)n1-c1ccon1 ZINC000025667649 557220915 /nfs/dbraw/zinc/22/09/15/557220915.db2.gz PCNQIBQOVHVUCZ-UHFFFAOYSA-N 0 0 440.506 3.550 50 0 IHAARN CCCOc1ccccc1N1C(=O)C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000025748168 557224256 /nfs/dbraw/zinc/22/42/56/557224256.db2.gz ZBNMDURHKOPPBE-HXUWFJFHSA-N 0 0 427.932 3.583 50 0 IHAARN COc1ccc(F)cc1CN1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000024386927 557225024 /nfs/dbraw/zinc/22/50/24/557225024.db2.gz RASUXYOBFNQAFE-UHFFFAOYSA-N 0 0 431.558 3.881 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)s1 ZINC000025777999 557225417 /nfs/dbraw/zinc/22/54/17/557225417.db2.gz VPCLRGIYRXCMPF-UHFFFAOYSA-N 0 0 449.623 3.522 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(NCCc3ccc4c(c3)OCCO4)c2c1C ZINC000025778294 557225545 /nfs/dbraw/zinc/22/55/45/557225545.db2.gz ZTKDZSSRRAVLLG-UHFFFAOYSA-N 0 0 440.569 3.566 50 0 IHAARN Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)ccc1Br ZINC000101079135 557226614 /nfs/dbraw/zinc/22/66/14/557226614.db2.gz SBAVBCUGTKLDCP-GFCCVEGCSA-N 0 0 435.343 3.955 50 0 IHAARN Cc1cc(-c2cc(C(=O)NCc3cccc(C(N)=O)c3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000025819493 557227832 /nfs/dbraw/zinc/22/78/32/557227832.db2.gz DHPMCRGRAJMVBM-UHFFFAOYSA-N 0 0 431.496 3.918 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ncccc3nc2-c2ccncc2)cc1 ZINC000032949738 557228678 /nfs/dbraw/zinc/22/86/78/557228678.db2.gz FARONWOYQURQIM-UHFFFAOYSA-N 0 0 435.553 3.670 50 0 IHAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 ZINC000011612952 557230276 /nfs/dbraw/zinc/23/02/76/557230276.db2.gz WTHDMFMWNYFILC-IBGZPJMESA-N 0 0 443.544 3.599 50 0 IHAARN O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1SCC(F)(F)F ZINC000025959215 557230966 /nfs/dbraw/zinc/23/09/66/557230966.db2.gz IKLCKHJSGHVAMZ-UHFFFAOYSA-N 0 0 429.807 3.754 50 0 IHAARN C[C@@H](Sc1ncnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000011678474 557231793 /nfs/dbraw/zinc/23/17/93/557231793.db2.gz YLVFFHKGALOZIL-SECBINFHSA-N 0 0 432.481 3.884 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1OC ZINC000011693365 557232196 /nfs/dbraw/zinc/23/21/96/557232196.db2.gz XZFNUQAQGNGQSQ-UHFFFAOYSA-N 0 0 427.888 4.000 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000011694070 557232786 /nfs/dbraw/zinc/23/27/86/557232786.db2.gz MEGUFJAIOMKJLT-UHFFFAOYSA-N 0 0 449.551 3.901 50 0 IHAARN COc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1NC(C)=O ZINC000026057360 557232805 /nfs/dbraw/zinc/23/28/05/557232805.db2.gz BQGXEWLECGVNKS-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ncc(Cl)cc1Cl ZINC000018050455 557234010 /nfs/dbraw/zinc/23/40/10/557234010.db2.gz XLGJHTJBCPQOAG-UHFFFAOYSA-N 0 0 431.707 3.559 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccccc2F)CC1 ZINC000098211356 557234469 /nfs/dbraw/zinc/23/44/69/557234469.db2.gz WRJBGOQHXZBMPK-UHFFFAOYSA-N 0 0 431.471 3.693 50 0 IHAARN O=S(=O)(CCN1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000026118047 557235256 /nfs/dbraw/zinc/23/52/56/557235256.db2.gz VQTWGLCVOJXHBF-FQEVSTJZSA-N 0 0 438.387 3.668 50 0 IHAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)Nc1cccc(F)c1 ZINC000018098696 557236639 /nfs/dbraw/zinc/23/66/39/557236639.db2.gz VZUUZYBZJYGGGR-UHFFFAOYSA-N 0 0 442.491 3.750 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000018094863 557236724 /nfs/dbraw/zinc/23/67/24/557236724.db2.gz PZUJPGFSMUAXKI-UHFFFAOYSA-N 0 0 433.430 3.933 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)Cc2csc(-c3ccco3)n2)c2nccn2C)c1 ZINC000026190506 557237141 /nfs/dbraw/zinc/23/71/41/557237141.db2.gz ZNGGFNSMERJWCS-HXUWFJFHSA-N 0 0 438.509 3.602 50 0 IHAARN CC(=O)c1ccccc1NC=Cc1nnnn1-c1ccc(I)cc1 ZINC000100068494 557239247 /nfs/dbraw/zinc/23/92/47/557239247.db2.gz LGJDCOYTCNMEOT-ZHACJKMWSA-N 0 0 431.237 3.552 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1C ZINC000018147954 557243164 /nfs/dbraw/zinc/24/31/64/557243164.db2.gz NVBZOMRFXMPKGY-UHFFFAOYSA-N 0 0 432.568 3.890 50 0 IHAARN Cc1cc(=O)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1cccc(C(F)(F)F)c1 ZINC000018156536 557244296 /nfs/dbraw/zinc/24/42/96/557244296.db2.gz KJQDMOTUOVYQNS-UHFFFAOYSA-N 0 0 445.397 3.561 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc32)CC1 ZINC000026766148 557247789 /nfs/dbraw/zinc/24/77/89/557247789.db2.gz UKYLEONHYUKUCT-UHFFFAOYSA-N 0 0 431.341 3.817 50 0 IHAARN Cn1ccc2c1cccc2NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604419010 557251179 /nfs/dbraw/zinc/25/11/79/557251179.db2.gz IXKOVXJMPFDBFR-DEOSSOPVSA-N 0 0 436.471 3.932 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000026986908 557253581 /nfs/dbraw/zinc/25/35/81/557253581.db2.gz GKEUGDQGKPGAFC-UHFFFAOYSA-N 0 0 437.201 3.974 50 0 IHAARN O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027002009 557253587 /nfs/dbraw/zinc/25/35/87/557253587.db2.gz VLZGQJAKAJATFU-UHFFFAOYSA-N 0 0 428.458 3.836 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)c1cccc(I)c1)c1cccc(F)c1 ZINC000018235943 557253644 /nfs/dbraw/zinc/25/36/44/557253644.db2.gz PJUVUSZQILTPFT-MRXNPFEDSA-N 0 0 435.240 3.683 50 0 IHAARN CCOC(=O)N[C@H](Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(=O)c1ccccc1 ZINC000027018494 557254510 /nfs/dbraw/zinc/25/45/10/557254510.db2.gz FAXRKUZTEQJYPQ-SFHVURJKSA-N 0 0 432.498 3.803 50 0 IHAARN C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000027075368 557256682 /nfs/dbraw/zinc/25/66/82/557256682.db2.gz WOQVFEUMPSVVON-FQEVSTJZSA-N 0 0 448.563 3.809 50 0 IHAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(CCO)c(=N)c32)cc1OC ZINC000101156595 557257161 /nfs/dbraw/zinc/25/71/61/557257161.db2.gz OQZBCECPWQXDRU-NRFANRHFSA-N 0 0 429.476 3.811 50 0 IHAARN O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCCCCCC1 ZINC000027237069 557259127 /nfs/dbraw/zinc/25/91/27/557259127.db2.gz BLZPQCCYJNFXKM-LEWJYISDSA-N 0 0 426.557 3.718 50 0 IHAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1OC ZINC000101175215 557260638 /nfs/dbraw/zinc/26/06/38/557260638.db2.gz IQKLXXPMDIELJF-OAQYLSRUSA-N 0 0 429.476 3.811 50 0 IHAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 ZINC000027373853 557261237 /nfs/dbraw/zinc/26/12/37/557261237.db2.gz BWIYKHDPKCWYDV-QFIPXVFZSA-N 0 0 434.496 3.719 50 0 IHAARN COCCOc1cc(NS(=O)(=O)c2ccc(C)cc2Br)ccc1OC ZINC000024955504 557266630 /nfs/dbraw/zinc/26/66/30/557266630.db2.gz ZKANGDAFLVFQHT-UHFFFAOYSA-N 0 0 430.320 3.592 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1 ZINC000027663052 557269221 /nfs/dbraw/zinc/26/92/21/557269221.db2.gz MBKRDCUWTARBNU-UHFFFAOYSA-N 0 0 429.479 3.616 50 0 IHAARN O=C(c1ccc2c(c1)OCO2)N1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008386330 557269772 /nfs/dbraw/zinc/26/97/72/557269772.db2.gz BYIOPWJBOXZSOS-UHFFFAOYSA-N 0 0 442.471 3.717 50 0 IHAARN Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1C ZINC000027663526 557269718 /nfs/dbraw/zinc/26/97/18/557269718.db2.gz UGEMPYCWAKUIJT-INIZCTEOSA-N 0 0 439.936 3.691 50 0 IHAARN O=C(COc1ccc(F)cc1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000027663967 557269947 /nfs/dbraw/zinc/26/99/47/557269947.db2.gz PALQSEBYMBWGNN-FQEVSTJZSA-N 0 0 427.497 3.574 50 0 IHAARN CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(F)cc3)s2)c1 ZINC000027664716 557270569 /nfs/dbraw/zinc/27/05/69/557270569.db2.gz RODJECNHTUNREV-UHFFFAOYSA-N 0 0 435.502 3.692 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000027673178 557271291 /nfs/dbraw/zinc/27/12/91/557271291.db2.gz AJPKUPZPVTZDSR-UHFFFAOYSA-N 0 0 442.884 3.685 50 0 IHAARN COc1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)c(OC)c1 ZINC000000829641 557272384 /nfs/dbraw/zinc/27/23/84/557272384.db2.gz HUSHALZBQBHXKF-DHDCSXOGSA-N 0 0 435.217 3.653 50 0 IHAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OCC ZINC000027748423 557273194 /nfs/dbraw/zinc/27/31/94/557273194.db2.gz BWIJNRMEBKPSDG-QFIPXVFZSA-N 0 0 437.492 3.826 50 0 IHAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OCC ZINC000027748429 557273197 /nfs/dbraw/zinc/27/31/97/557273197.db2.gz BWIJNRMEBKPSDG-JOCHJYFZSA-N 0 0 437.492 3.826 50 0 IHAARN CC(C)c1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 ZINC000027767108 557273579 /nfs/dbraw/zinc/27/35/79/557273579.db2.gz WTEDXNIOXRPPRX-GFCCVEGCSA-N 0 0 433.361 3.567 50 0 IHAARN COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCCn3ccnc3)c(=N)c21 ZINC000101365182 557277506 /nfs/dbraw/zinc/27/75/06/557277506.db2.gz LSJNRPCNJCIMNG-OAQYLSRUSA-N 0 0 429.480 3.649 50 0 IHAARN CCN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)CC1 ZINC000101371641 557278807 /nfs/dbraw/zinc/27/88/07/557278807.db2.gz ZHZXVSQQQKSFJE-UHFFFAOYSA-N 0 0 439.943 3.998 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O)Nc1ccc(Br)cc1 ZINC000101078477 557282286 /nfs/dbraw/zinc/28/22/86/557282286.db2.gz AVXDYVWYRCSCFP-ATZDWAIDSA-N 0 0 441.325 3.957 50 0 IHAARN O=C1[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 ZINC000101400051 557283425 /nfs/dbraw/zinc/28/34/25/557283425.db2.gz YXIFIVNPUXODPC-JOCHJYFZSA-N 0 0 439.515 3.652 50 0 IHAARN COc1cc(/C=C/C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc(OC)c1 ZINC000031187465 557283465 /nfs/dbraw/zinc/28/34/65/557283465.db2.gz SNTGPMAKRZSLLH-BQYQJAHWSA-N 0 0 434.536 3.541 50 0 IHAARN COC(=O)CNC(=O)CC1=C(C)/C(=C\c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 ZINC000101466754 557285071 /nfs/dbraw/zinc/28/50/71/557285071.db2.gz FAKIKUAUYLHICP-OJABSEHMSA-N 0 0 427.497 3.570 50 0 IHAARN CC(C)C[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000101611818 557291542 /nfs/dbraw/zinc/29/15/42/557291542.db2.gz ZYMNYBJCQFRJBT-ZIFCJYIRSA-N 0 0 437.565 3.588 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000101628314 557292979 /nfs/dbraw/zinc/29/29/79/557292979.db2.gz YXMVUTFPQUPCJP-OALUTQOASA-N 0 0 430.501 3.610 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101715708 557294599 /nfs/dbraw/zinc/29/45/99/557294599.db2.gz KTQYNRLXZARXHG-OAQYLSRUSA-N 0 0 441.553 3.846 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 ZINC000014084048 557299621 /nfs/dbraw/zinc/29/96/21/557299621.db2.gz TUYKIFOMQXFRBS-UHFFFAOYSA-N 0 0 440.550 3.635 50 0 IHAARN COc1ccc(C2=Nc3nnnn3[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)C2)cc1OC ZINC000101867325 557304370 /nfs/dbraw/zinc/30/43/70/557304370.db2.gz GYSCDEYUAYFBOQ-QGZVFWFLSA-N 0 0 449.902 3.894 50 0 IHAARN O=C(CN1c2ncccc2N=C(c2ccc(F)cc2)CC1=O)NCCCc1ccccc1 ZINC000101881192 557305061 /nfs/dbraw/zinc/30/50/61/557305061.db2.gz KOZUSFZJBQOAQE-UHFFFAOYSA-N 0 0 430.483 3.827 50 0 IHAARN O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102074765 557312609 /nfs/dbraw/zinc/31/26/09/557312609.db2.gz DOCSXCUUPHNBIH-PZXVYJQKSA-N 0 0 436.511 3.999 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000014180399 557313473 /nfs/dbraw/zinc/31/34/73/557313473.db2.gz VTMPJOZZRFSPMF-KDURUIRLSA-N 0 0 443.455 3.707 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2csc(-c3cccs3)n2)C1=O ZINC000014184878 557313953 /nfs/dbraw/zinc/31/39/53/557313953.db2.gz MELJBYPLHMQECL-FQEVSTJZSA-N 0 0 427.507 3.610 50 0 IHAARN O=C(CCSc1nnc(Cc2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000032777084 557315921 /nfs/dbraw/zinc/31/59/21/557315921.db2.gz BRBGLWGOJPSUPD-UHFFFAOYSA-N 0 0 426.517 3.631 50 0 IHAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)s1 ZINC000014202036 557317638 /nfs/dbraw/zinc/31/76/38/557317638.db2.gz UQFFSVSUPOWGCZ-SFHVURJKSA-N 0 0 442.516 3.746 50 0 IHAARN Cc1ccn2c(=O)cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000032957809 557319234 /nfs/dbraw/zinc/31/92/34/557319234.db2.gz GDHYUKGOANEJSQ-UHFFFAOYSA-N 0 0 443.912 3.640 50 0 IHAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000033012237 557320929 /nfs/dbraw/zinc/32/09/29/557320929.db2.gz RXRRMKQHQRUYPS-UHFFFAOYSA-N 0 0 426.476 3.969 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3ccc(F)cc3Cl)n2)cc1 ZINC000033062878 557323329 /nfs/dbraw/zinc/32/33/29/557323329.db2.gz YSBOCEVDYYFEJH-UHFFFAOYSA-N 0 0 437.880 3.716 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033251957 557327650 /nfs/dbraw/zinc/32/76/50/557327650.db2.gz FVEUXVYNRGCRBP-SFHVURJKSA-N 0 0 438.933 3.539 50 0 IHAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCn3nnc4ccccc4c3=O)nc(=O)c12 ZINC000014244685 557328415 /nfs/dbraw/zinc/32/84/15/557328415.db2.gz OPNKPCLAKRGKDB-LLVKDONJSA-N 0 0 427.555 3.736 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000014240763 557328826 /nfs/dbraw/zinc/32/88/26/557328826.db2.gz JADQNMIXZLUPPZ-MRXNPFEDSA-N 0 0 426.494 3.793 50 0 IHAARN COc1cc([C@H]2CC(=O)c3c[nH]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc(OC)c1OC ZINC000100130385 557331722 /nfs/dbraw/zinc/33/17/22/557331722.db2.gz DYTXFCFILVTMCI-CQSZACIVSA-N 0 0 445.475 3.652 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)NCc1ccccc1Cl ZINC000033312814 557332580 /nfs/dbraw/zinc/33/25/80/557332580.db2.gz UIPLBQLVVRRZLF-QHCPKHFHSA-N 0 0 425.960 3.568 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000033403612 557334159 /nfs/dbraw/zinc/33/41/59/557334159.db2.gz GKBURKNMMIOUNU-UOAQFJBXSA-N 0 0 447.579 3.828 50 0 IHAARN Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000024977371 557347047 /nfs/dbraw/zinc/34/70/47/557347047.db2.gz VESRTQBCPMAGJI-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN C[C@@H]1c2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N(CCC3)C1=O ZINC000102592172 557356856 /nfs/dbraw/zinc/35/68/56/557356856.db2.gz RIDRKFPZYYEMAQ-LLVKDONJSA-N 0 0 426.416 3.782 50 0 IHAARN C[C@@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000011683102 557365917 /nfs/dbraw/zinc/36/59/17/557365917.db2.gz ZDLHBKGZGXGALN-SNVBAGLBSA-N 0 0 426.483 3.726 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CSc2nnnn2Cc2ccco2)c2cccs2)cc1 ZINC000011681199 557366128 /nfs/dbraw/zinc/36/61/28/557366128.db2.gz RPATVRJGOLKNHA-LJQANCHMSA-N 0 0 425.539 3.682 50 0 IHAARN Cn1ncc2c1ncnc2SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000011683197 557366198 /nfs/dbraw/zinc/36/61/98/557366198.db2.gz BQMZTEOLUGWRFN-AWEZNQCLSA-N 0 0 440.579 3.956 50 0 IHAARN COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)c2)nn1 ZINC000011694199 557393015 /nfs/dbraw/zinc/39/30/15/557393015.db2.gz PAGZRJNOGPWPLP-UHFFFAOYSA-N 0 0 440.525 3.856 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 ZINC000102814705 557393395 /nfs/dbraw/zinc/39/33/95/557393395.db2.gz YMHBIBKCLVKNCL-KRWDZBQOSA-N 0 0 442.566 3.918 50 0 IHAARN COCCCn1c(=N)c2cc(OC)c(OC)cc2nc1SCc1ccc(OC)cc1 ZINC000100330731 557400245 /nfs/dbraw/zinc/40/02/45/557400245.db2.gz FCHYROXHFYQBSM-UHFFFAOYSA-N 0 0 429.542 3.870 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000102879017 557407436 /nfs/dbraw/zinc/40/74/36/557407436.db2.gz LAAOEHWWDROFND-SJLPKXTDSA-N 0 0 444.557 3.568 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000102896656 557411162 /nfs/dbraw/zinc/41/11/62/557411162.db2.gz WRSLWJOBTJUQPZ-IEBWSBKVSA-N 0 0 442.585 3.986 50 0 IHAARN COc1ccc(C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000102899001 557411445 /nfs/dbraw/zinc/41/14/45/557411445.db2.gz KQDWRQLIGNCFEK-OFVILXPXSA-N 0 0 446.434 3.924 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000103142304 557423290 /nfs/dbraw/zinc/42/32/90/557423290.db2.gz FYFHXTJHRWZTQY-SOLBZPMBSA-N 0 0 429.590 3.576 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000096279967 557450391 /nfs/dbraw/zinc/45/03/91/557450391.db2.gz UVSFZJNALBGXEI-FCHUYYIVSA-N 0 0 442.531 3.747 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)[C@H]1C ZINC000104154248 557451400 /nfs/dbraw/zinc/45/14/00/557451400.db2.gz ZAAGKHQMZFXWJY-LVCYWYKZSA-N 0 0 431.602 3.757 50 0 IHAARN COC(=O)c1cc(NC(=O)/C=C/c2cccc(OC)c2OC(F)F)cc(C(=O)OC)c1 ZINC000014797100 557456083 /nfs/dbraw/zinc/45/60/83/557456083.db2.gz ZDLCNNXNXUHKKK-BQYQJAHWSA-N 0 0 435.379 3.522 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000014798218 557456807 /nfs/dbraw/zinc/45/68/07/557456807.db2.gz SCZKEBOCNWHAEY-UHFFFAOYSA-N 0 0 441.553 3.549 50 0 IHAARN COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@H](C)[C@@H]4C)C3)cc(=O)oc2c1 ZINC000104802678 557462286 /nfs/dbraw/zinc/46/22/86/557462286.db2.gz MBKIVMRPBMBQRT-ZFCANOHDSA-N 0 0 427.497 3.518 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000051316807 557465152 /nfs/dbraw/zinc/46/51/52/557465152.db2.gz HMFLINDPDUFKTI-UHFFFAOYSA-N 0 0 447.854 3.771 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2F)o1 ZINC000051317338 557468733 /nfs/dbraw/zinc/46/87/33/557468733.db2.gz SWHHMWADVUZFPV-UHFFFAOYSA-N 0 0 437.876 3.985 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1OC ZINC000051318019 557469565 /nfs/dbraw/zinc/46/95/65/557469565.db2.gz YXYMBRXNYGQXSZ-GFCCVEGCSA-N 0 0 445.317 3.846 50 0 IHAARN C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000105702941 557509919 /nfs/dbraw/zinc/50/99/19/557509919.db2.gz HLOGUQHTYWHEKH-UPJWGTAASA-N 0 0 429.468 3.546 50 0 IHAARN NC(=O)[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000019898137 557509949 /nfs/dbraw/zinc/50/99/49/557509949.db2.gz UVDLEGFIVZCIJK-QFIPXVFZSA-N 0 0 448.475 3.725 50 0 IHAARN Cn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 ZINC000024596821 557512493 /nfs/dbraw/zinc/51/24/93/557512493.db2.gz SQZRNQUNGNHKQT-UHFFFAOYSA-N 0 0 432.249 3.570 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccccc2Cl)cc1 ZINC000047146314 557517048 /nfs/dbraw/zinc/51/70/48/557517048.db2.gz BGVRPCTVLISHHP-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012062467 557525838 /nfs/dbraw/zinc/52/58/38/557525838.db2.gz TYXAQOSVTYHWJJ-QGZVFWFLSA-N 0 0 430.913 3.825 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000044786579 557537150 /nfs/dbraw/zinc/53/71/50/557537150.db2.gz SJUHFUXIZHSKKW-KRWDZBQOSA-N 0 0 426.947 3.618 50 0 IHAARN COC(=O)c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000044859718 557538554 /nfs/dbraw/zinc/53/85/54/557538554.db2.gz ZECFAKUEZWQVNI-QGZVFWFLSA-N 0 0 430.892 3.883 50 0 IHAARN COC(=O)c1c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c(C)nn1C ZINC000044893352 557539908 /nfs/dbraw/zinc/53/99/08/557539908.db2.gz WQYXYMBJGXXXES-UHFFFAOYSA-N 0 0 426.473 3.971 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(C)cc4C)n3n2)cc1 ZINC000045939100 557548212 /nfs/dbraw/zinc/54/82/12/557548212.db2.gz WQXCGHFGYPNLRH-UHFFFAOYSA-N 0 0 433.537 3.995 50 0 IHAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccccc1C(F)(F)F ZINC000045970215 557557916 /nfs/dbraw/zinc/55/79/16/557557916.db2.gz FTGMNJYPEOZSSM-UHFFFAOYSA-N 0 0 437.447 3.501 50 0 IHAARN Cn1ccnc1-c1sc(NC(=O)C2CCN(C(=O)C3CC3)CC2)nc1-c1ccccc1 ZINC000040040634 557677548 /nfs/dbraw/zinc/67/75/48/557677548.db2.gz AFZBWRLOHBAJJK-UHFFFAOYSA-N 0 0 435.553 3.798 50 0 IHAARN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cccnc3)C[C@@H]2C)c(Br)c1 ZINC000225390625 557717766 /nfs/dbraw/zinc/71/77/66/557717766.db2.gz FPTPDBYTAUCIOX-DLBZAZTESA-N 0 0 432.362 3.653 50 0 IHAARN COc1ccc(CN(CCc2ccccn2)c2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000225462342 557725593 /nfs/dbraw/zinc/72/55/93/557725593.db2.gz KJSFAPWVEANPTE-UHFFFAOYSA-N 0 0 428.418 3.796 50 0 IHAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000225502329 557731324 /nfs/dbraw/zinc/73/13/24/557731324.db2.gz YCERKDDRHGVCME-QHCPKHFHSA-N 0 0 448.954 3.551 50 0 IHAARN O=C(CCCC(CO)(CO)CO)OCCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000225617876 557752885 /nfs/dbraw/zinc/75/28/85/557752885.db2.gz NUSQGKIDGGNNLG-UHFFFAOYSA-N 0 0 436.495 3.554 50 0 IHAARN C[C@H]1CN(c2ccc(NC(=O)C3(c4cccc(Br)c4)CC(=O)C3)cc2)CCO1 ZINC000225808638 557779619 /nfs/dbraw/zinc/77/96/19/557779619.db2.gz UQMHLKAVCSCLJT-HNNXBMFYSA-N 0 0 443.341 3.914 50 0 IHAARN Cc1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C(=O)NCCc1c(F)cccc1Cl ZINC000227156020 557812661 /nfs/dbraw/zinc/81/26/61/557812661.db2.gz FDUIGRQJZOBTMI-CYBMUJFWSA-N 0 0 449.935 3.710 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1 ZINC000024985874 557828934 /nfs/dbraw/zinc/82/89/34/557828934.db2.gz NUIAITPCSGQEQP-UHFFFAOYSA-N 0 0 443.459 3.816 50 0 IHAARN COc1ccc(C(=O)N2[C@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000239403009 557844377 /nfs/dbraw/zinc/84/43/77/557844377.db2.gz RJUCJJZVFJESCM-DNVJHFABSA-N 0 0 449.551 3.593 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000000878886 557848636 /nfs/dbraw/zinc/84/86/36/557848636.db2.gz HPWKAKLVZVVLNS-UHFFFAOYSA-N 0 0 448.928 3.762 50 0 IHAARN Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000000892161 557860466 /nfs/dbraw/zinc/86/04/66/557860466.db2.gz GURVMWHWLQVSSL-UHFFFAOYSA-N 0 0 426.933 3.861 50 0 IHAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000001073842 560180394 /nfs/dbraw/zinc/18/03/94/560180394.db2.gz MRNXGEXTEVMGJH-HNNXBMFYSA-N 0 0 442.265 3.813 50 0 biogenic,in-vitro IHAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000000915376 562919629 /nfs/dbraw/zinc/91/96/29/562919629.db2.gz BBPXOAVVBXUIQG-HNNXBMFYSA-N 0 0 429.933 3.903 50 0 IHAARN CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1cccc(OC)c1 ZINC000001404104 562921722 /nfs/dbraw/zinc/92/17/22/562921722.db2.gz MNULQEHRPTZRPB-UHFFFAOYSA-N 0 0 449.536 3.724 50 0 IHAARN CC(C)OCCCN1CC(=O)N2[C@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002093882 562925784 /nfs/dbraw/zinc/92/57/84/562925784.db2.gz AXJBIEODLJXQSU-WIOPSUGQSA-N 0 0 431.536 3.668 50 0 biogenic IHAARN COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1 ZINC000002222364 562926412 /nfs/dbraw/zinc/92/64/12/562926412.db2.gz FYQTYHZBDUIZJY-AWEZNQCLSA-N 0 0 433.464 3.667 50 0 IHAARN CCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002436154 562927678 /nfs/dbraw/zinc/92/76/78/562927678.db2.gz FWNHZNPUSBEVER-UHFFFAOYSA-N 0 0 432.933 3.683 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000002620564 562928482 /nfs/dbraw/zinc/92/84/82/562928482.db2.gz QSPUDQDPHCLVAS-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000002621831 562928591 /nfs/dbraw/zinc/92/85/91/562928591.db2.gz RBKZERXXLBFHKS-UHFFFAOYSA-N 0 0 429.472 3.812 50 0 aggregator IHAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(F)c1 ZINC000002644333 562929134 /nfs/dbraw/zinc/92/91/34/562929134.db2.gz NTZFMUWFXFTZDP-UHFFFAOYSA-N 0 0 437.858 3.643 50 0 IHAARN COc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)cc1 ZINC000002909288 562930467 /nfs/dbraw/zinc/93/04/67/562930467.db2.gz BQZWNXNNDCBETQ-UHFFFAOYSA-N 0 0 429.567 3.997 50 0 IHAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1C[C@@H]1COc2ccccc2O1 ZINC000003037465 562932052 /nfs/dbraw/zinc/93/20/52/562932052.db2.gz PBNKHWBSIYLRBI-YKSBVNFPSA-N 0 0 438.499 3.710 50 0 IHAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1C[C@H]1COc2ccccc2O1 ZINC000003037466 562932053 /nfs/dbraw/zinc/93/20/53/562932053.db2.gz PBNKHWBSIYLRBI-RDPSFJRHSA-N 0 0 438.499 3.710 50 0 IHAARN COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1 ZINC000003264320 562933475 /nfs/dbraw/zinc/93/34/75/562933475.db2.gz PZVUVNLAZSCGCQ-UHFFFAOYSA-N 0 0 433.537 3.827 50 0 IHAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)n3c(-c4ccccc4)csc3n1)CC2 ZINC000003291422 562933733 /nfs/dbraw/zinc/93/37/33/562933733.db2.gz VFRDXCBWVINWGI-UHFFFAOYSA-N 0 0 433.533 3.999 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000003449514 562936018 /nfs/dbraw/zinc/93/60/18/562936018.db2.gz VMHPBOHRGZRLKR-DHZHZOJOSA-N 0 0 446.931 3.544 50 0 IHAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003473017 562936131 /nfs/dbraw/zinc/93/61/31/562936131.db2.gz UEFGKXVYGPGTCN-UHFFFAOYSA-N 0 0 431.514 3.619 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O ZINC000003500328 562936282 /nfs/dbraw/zinc/93/62/82/562936282.db2.gz HNWMDUCZMOSHRA-UHFFFAOYSA-N 0 0 427.526 3.563 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC(C)(C)C)cc3c2c1 ZINC000004171975 562942462 /nfs/dbraw/zinc/94/24/62/562942462.db2.gz HUDQKOGGCSZOET-UHFFFAOYSA-N 0 0 438.571 3.740 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000004262966 562942967 /nfs/dbraw/zinc/94/29/67/562942967.db2.gz FHZULVPZEUCLDY-HXUWFJFHSA-N 0 0 425.485 3.596 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCO ZINC000004295424 562943027 /nfs/dbraw/zinc/94/30/27/562943027.db2.gz JWXZAZJAQCQOEP-MRXNPFEDSA-N 0 0 434.673 3.746 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S@](=O)C3)cc1 ZINC000006529728 562947035 /nfs/dbraw/zinc/94/70/35/562947035.db2.gz XGNZUKSBLPTCKM-HHHXNRCGSA-N 0 0 446.326 3.658 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S@@](=O)C3)cc1 ZINC000006529731 562947048 /nfs/dbraw/zinc/94/70/48/562947048.db2.gz XGNZUKSBLPTCKM-MHZLTWQESA-N 0 0 446.326 3.658 50 0 IHAARN COc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC ZINC000006530913 562947188 /nfs/dbraw/zinc/94/71/88/562947188.db2.gz PWMBBBWQUZZSLQ-UHFFFAOYSA-N 0 0 433.464 3.516 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000006577526 562947665 /nfs/dbraw/zinc/94/76/65/562947665.db2.gz BSHNXZMTOHGIAE-UHFFFAOYSA-N 0 0 434.901 3.866 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008229892 562949148 /nfs/dbraw/zinc/94/91/48/562949148.db2.gz YZVLKFKRDXGCKE-IBGZPJMESA-N 0 0 425.481 3.802 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1OC ZINC000008587728 562950419 /nfs/dbraw/zinc/95/04/19/562950419.db2.gz IDWPQSRHXGZYBB-AWEZNQCLSA-N 0 0 437.521 3.814 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1Cl ZINC000008588014 562950553 /nfs/dbraw/zinc/95/05/53/562950553.db2.gz NSNXYPIUWPCZSR-QFIPXVFZSA-N 0 0 434.927 3.902 50 0 IHAARN O=c1c2oc3ccccc3c2n(Cc2ccccc2F)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000008589184 562951060 /nfs/dbraw/zinc/95/10/60/562951060.db2.gz RSFYSNVQQCAZEX-UHFFFAOYSA-N 0 0 444.418 3.874 50 0 IHAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccc(F)cc3)nc12)c1ccccc1 ZINC000008589515 562951209 /nfs/dbraw/zinc/95/12/09/562951209.db2.gz RGVLGMALJYCMFT-UHFFFAOYSA-N 0 0 439.497 3.923 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(CCc3ccccc3)c(=O)n1Cc1ccccc1)n2C ZINC000008591813 562952135 /nfs/dbraw/zinc/95/21/35/562952135.db2.gz WJFIWBJRHAFFHC-UHFFFAOYSA-N 0 0 439.515 3.955 50 0 IHAARN COc1cc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000008600511 562955115 /nfs/dbraw/zinc/95/51/15/562955115.db2.gz CTZPZERRYNPMOU-UHFFFAOYSA-N 0 0 446.507 3.744 50 0 IHAARN COc1ccc(CNC(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)cc1 ZINC000008605500 562956727 /nfs/dbraw/zinc/95/67/27/562956727.db2.gz GNNLKJQTLMFCQW-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000008606581 562957095 /nfs/dbraw/zinc/95/70/95/562957095.db2.gz FBZWOXAVQVJGPI-RUZDIDTESA-N 0 0 441.487 3.899 50 0 aggregator IHAARN COc1cccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1OC ZINC000008609317 562957805 /nfs/dbraw/zinc/95/78/05/562957805.db2.gz NDOQWWFXFIKVQK-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(CO)n1Cc1ccc(C)cc1 ZINC000008610247 562958110 /nfs/dbraw/zinc/95/81/10/562958110.db2.gz ZLMNUJDJFWERTN-UHFFFAOYSA-N 0 0 439.537 3.640 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)oc2c1C ZINC000008612373 562959154 /nfs/dbraw/zinc/95/91/54/562959154.db2.gz KZKNQYUJGNVFNK-UHFFFAOYSA-N 0 0 440.521 3.837 50 0 IHAARN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc(=O)c2c1 ZINC000008612370 562959187 /nfs/dbraw/zinc/95/91/87/562959187.db2.gz RFLGQWQNKWGPNC-MRXNPFEDSA-N 0 0 440.521 3.774 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008613963 562959494 /nfs/dbraw/zinc/95/94/94/562959494.db2.gz QGVZVNNHROEYGC-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN C[C@H](NC(=O)CSc1n[nH]c(-c2ccccc2Cl)n1)c1nc2ccccc2n1C ZINC000008614459 562959659 /nfs/dbraw/zinc/95/96/59/562959659.db2.gz LGDDMLCDEBUKOR-LBPRGKRZSA-N 0 0 426.933 3.981 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]42)cc1 ZINC000008671380 562960848 /nfs/dbraw/zinc/96/08/48/562960848.db2.gz KTGCQUHDEWMLFZ-AEVHBADWSA-N 0 0 443.286 3.608 50 0 IHAARN COc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008683262 562961958 /nfs/dbraw/zinc/96/19/58/562961958.db2.gz JZWNHFRNEPZCHU-UHFFFAOYSA-N 0 0 429.469 3.944 50 0 IHAARN COc1ccccc1CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000008791399 562964200 /nfs/dbraw/zinc/96/42/00/562964200.db2.gz JXQFCHPUNIOTFX-UHFFFAOYSA-N 0 0 437.492 3.909 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCCCn4ccnc4)ccc23)cc1 ZINC000008791855 562964216 /nfs/dbraw/zinc/96/42/16/562964216.db2.gz WAZZQDMECLXFPW-UHFFFAOYSA-N 0 0 447.491 3.559 50 0 biogenic IHAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Cn1ncc3c1-c1cc(C)ccc1OC3)CC2 ZINC000008828534 562964581 /nfs/dbraw/zinc/96/45/81/562964581.db2.gz CDYFCGLOQBEAPG-MRXNPFEDSA-N 0 0 433.508 3.914 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)cc1OC ZINC000009095333 562967050 /nfs/dbraw/zinc/96/70/50/562967050.db2.gz NTIDLVXGTHKGMK-UHFFFAOYSA-N 0 0 425.441 3.533 50 0 IHAARN O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl ZINC000009373260 562969690 /nfs/dbraw/zinc/96/96/90/562969690.db2.gz FZCWTWSCBMTFPT-UHFFFAOYSA-N 0 0 427.751 3.612 50 0 IHAARN COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2[C@H](C)COC)c1C ZINC000009540423 562973104 /nfs/dbraw/zinc/97/31/04/562973104.db2.gz HJAHNBLVBFQIME-MRXNPFEDSA-N 0 0 443.569 3.644 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O ZINC000009591792 562973675 /nfs/dbraw/zinc/97/36/75/562973675.db2.gz DAMMLSAOMKIECX-RBZFPXEDSA-N 0 0 437.334 3.629 50 0 IHAARN COc1ccccc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000009600868 562974028 /nfs/dbraw/zinc/97/40/28/562974028.db2.gz NJVNLQODHGBUIQ-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1 ZINC000009626869 562974348 /nfs/dbraw/zinc/97/43/48/562974348.db2.gz LIQPSSOUSWGUIN-UHFFFAOYSA-N 0 0 431.901 3.608 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(F)cccc1Cl ZINC000009704138 562975657 /nfs/dbraw/zinc/97/56/57/562975657.db2.gz VCFCPHZSSJOSSG-UHFFFAOYSA-N 0 0 426.897 3.915 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000009731378 562976242 /nfs/dbraw/zinc/97/62/42/562976242.db2.gz HLPCTICWFDZJDF-GDLZYMKVSA-N 0 0 438.933 3.592 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 ZINC000010327680 562978643 /nfs/dbraw/zinc/97/86/43/562978643.db2.gz PIXVWEOBMVPEEE-UHFFFAOYSA-N 0 0 435.505 3.649 50 0 IHAARN CCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000012891583 562983454 /nfs/dbraw/zinc/98/34/54/562983454.db2.gz XJDGZEMADOYGHB-UHFFFAOYSA-N 0 0 444.919 3.889 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000013018484 562984219 /nfs/dbraw/zinc/98/42/19/562984219.db2.gz REDQZFVKHJYTOW-HNNXBMFYSA-N 0 0 448.507 3.674 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c(OC)c1OC ZINC000013123543 562984726 /nfs/dbraw/zinc/98/47/26/562984726.db2.gz DLRSLEKUDPUDKO-FQEVSTJZSA-N 0 0 449.511 3.848 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000015082521 563017600 /nfs/dbraw/zinc/01/76/00/563017600.db2.gz BBDXEWCTPOLFEQ-LBPRGKRZSA-N 0 0 433.555 3.879 50 0 IHAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1I ZINC000030214581 563083133 /nfs/dbraw/zinc/08/31/33/563083133.db2.gz COVXIOQMCUDVRH-GFCCVEGCSA-N 0 0 443.306 3.528 50 0 IHAARN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000058085768 563143365 /nfs/dbraw/zinc/14/33/65/563143365.db2.gz MBKJPVCOWJBZMX-VXKWHMMOSA-N 0 0 434.005 3.752 50 0 IHAARN CCOC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000104989324 568623945 /nfs/dbraw/zinc/62/39/45/568623945.db2.gz FOLSMWSCKMCQCP-FUHWJXTLSA-N 0 0 441.597 3.509 50 0 IHAARN COC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c(C(=O)OC)c1C ZINC000018935296 568627384 /nfs/dbraw/zinc/62/73/84/568627384.db2.gz AZPITVXHYXWWTQ-MRXNPFEDSA-N 0 0 430.526 3.578 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)N(C)Cc2ccsc2)cc1 ZINC000019011412 568632497 /nfs/dbraw/zinc/63/24/97/568632497.db2.gz BMPONORWDHHXNI-UHFFFAOYSA-N 0 0 428.510 3.676 50 0 IHAARN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000025077188 568634739 /nfs/dbraw/zinc/63/47/39/568634739.db2.gz PQDXXENJANAAAE-OAQYLSRUSA-N 0 0 428.492 3.732 50 0 IHAARN CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000025077158 568634874 /nfs/dbraw/zinc/63/48/74/568634874.db2.gz POLIAQSFAVJGDE-KSSFIOAISA-N 0 0 445.556 3.669 50 0 IHAARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000025077145 568634968 /nfs/dbraw/zinc/63/49/68/568634968.db2.gz POLIAQSFAVJGDE-RDTXWAMCSA-N 0 0 445.556 3.669 50 0 IHAARN COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 ZINC000000909569 568636236 /nfs/dbraw/zinc/63/62/36/568636236.db2.gz YRTFMLJLWMLUOW-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN Cc1cc(C)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000019076922 568637082 /nfs/dbraw/zinc/63/70/82/568637082.db2.gz KQCKTDGYLGSLNL-QGZVFWFLSA-N 0 0 444.582 3.798 50 0 IHAARN COc1cc(NC2=NS(=O)(=O)c3ccccc32)c(OC)cc1NC(=O)c1ccccc1 ZINC000000936111 568638799 /nfs/dbraw/zinc/63/87/99/568638799.db2.gz ZOFWCEZQCXHZBE-UHFFFAOYSA-N 0 0 437.477 3.517 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)o1 ZINC000000976620 568648036 /nfs/dbraw/zinc/64/80/36/568648036.db2.gz UKKIKLKMRYBRFM-UHFFFAOYSA-N 0 0 432.889 3.853 50 0 IHAARN O=C(COc1ccc(Br)cc1F)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025326761 568653501 /nfs/dbraw/zinc/65/35/01/568653501.db2.gz LLKLDTCCIVSTLL-UHFFFAOYSA-N 0 0 435.293 3.519 50 0 IHAARN Cc1nn(C)cc1NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000001088139 568657853 /nfs/dbraw/zinc/65/78/53/568657853.db2.gz CJERKZJBXLPVGL-UHFFFAOYSA-N 0 0 426.402 3.808 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000001090458 568658587 /nfs/dbraw/zinc/65/85/87/568658587.db2.gz MGPRFFURVQETOW-XMMPIXPASA-N 0 0 436.533 3.606 50 0 IHAARN COCCN1CCN(C(=O)c2csc(-c3ccccc3OCc3ccccc3)n2)CC1 ZINC000034723171 568736364 /nfs/dbraw/zinc/73/63/64/568736364.db2.gz NHKKKOVMPAVCOC-UHFFFAOYSA-N 0 0 437.565 3.793 50 0 IHAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3N2)cc1 ZINC000001213669 568739236 /nfs/dbraw/zinc/73/92/36/568739236.db2.gz LHEKNYLVFFSNSD-HUUCEWRRSA-N 0 0 441.885 3.893 50 0 IHAARN Cc1cc(C)c(C(=O)COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C ZINC000005981125 568739873 /nfs/dbraw/zinc/73/98/73/568739873.db2.gz PDLITIRRQLCMGA-UHFFFAOYSA-N 0 0 426.557 3.996 50 0 IHAARN O=S(=O)(Cc1ccccc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000031595044 568740585 /nfs/dbraw/zinc/74/05/85/568740585.db2.gz VNHSSMUMDCBOGH-UHFFFAOYSA-N 0 0 431.945 3.643 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 ZINC000001806299 568740742 /nfs/dbraw/zinc/74/07/42/568740742.db2.gz OEXFSLYYRLSIQY-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN CCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000001829568 568741769 /nfs/dbraw/zinc/74/17/69/568741769.db2.gz HZGHOWXRVZUGLU-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN Cc1cccc2c(=O)[nH]c(CSc3nc4ccccc4c(=O)n3-c3ncccc3C)nc12 ZINC000012526515 568742544 /nfs/dbraw/zinc/74/25/44/568742544.db2.gz MZMPALCKKFDNJX-UHFFFAOYSA-N 0 0 441.516 3.926 50 0 IHAARN Cc1ccc(-c2ncc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3O)s2)c(C)c1 ZINC000116196863 568742589 /nfs/dbraw/zinc/74/25/89/568742589.db2.gz KTQDKPPKZMQWAP-UHFFFAOYSA-N 0 0 443.550 3.925 50 0 IHAARN COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000002104422 568742741 /nfs/dbraw/zinc/74/27/41/568742741.db2.gz ZUOBGDKIPVNTNR-INIZCTEOSA-N 0 0 433.464 3.667 50 0 biogenic IHAARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000003221272 568743161 /nfs/dbraw/zinc/74/31/61/568743161.db2.gz DVYPKFPZQYQJNH-QKKBWIMNSA-N 0 0 444.915 3.869 50 0 IHAARN CSc1ccccc1C[NH+]1CCC(C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000043959568 568744364 /nfs/dbraw/zinc/74/43/64/568744364.db2.gz VIDRIFBAJPZXGW-UHFFFAOYSA-N 0 0 426.554 3.877 50 0 IHAARN O=C(COc1ccccc1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 ZINC000043981364 568744996 /nfs/dbraw/zinc/74/49/96/568744996.db2.gz PARJOBCANSZFQI-UHFFFAOYSA-N 0 0 426.582 3.994 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000003319754 568746055 /nfs/dbraw/zinc/74/60/55/568746055.db2.gz MPOYKGSYOWFTDI-UHFFFAOYSA-N 0 0 428.963 3.684 50 0 IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000003346632 568746666 /nfs/dbraw/zinc/74/66/66/568746666.db2.gz YDCHXRYQDKASLY-ZDUSSCGKSA-N 0 0 432.502 3.550 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003355557 568747227 /nfs/dbraw/zinc/74/72/27/568747227.db2.gz MWJLXYJDPKCHTI-UHFFFAOYSA-N 0 0 435.505 3.649 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O ZINC000003382211 568748340 /nfs/dbraw/zinc/74/83/40/568748340.db2.gz IHVRABSMXRUNEH-LJQANCHMSA-N 0 0 431.895 3.571 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000003376969 568748348 /nfs/dbraw/zinc/74/83/48/568748348.db2.gz KFMUOSXDSOOQGT-UHFFFAOYSA-N 0 0 440.609 3.877 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000003406895 568748674 /nfs/dbraw/zinc/74/86/74/568748674.db2.gz CMLKBZCPZTXQKF-FQEVSTJZSA-N 0 0 430.508 3.505 50 0 IHAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2)cc1)NC1CCCC1 ZINC000044166228 568749197 /nfs/dbraw/zinc/74/91/97/568749197.db2.gz JAGJXUNIDQPBBM-UHFFFAOYSA-N 0 0 434.565 3.953 50 0 IHAARN CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000003472586 568749837 /nfs/dbraw/zinc/74/98/37/568749837.db2.gz AUFJXSARSHCURA-INIZCTEOSA-N 0 0 432.542 3.909 50 0 IHAARN COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2C)cc1 ZINC000003554307 568750645 /nfs/dbraw/zinc/75/06/45/568750645.db2.gz HQWDWNSHDOWGES-UHFFFAOYSA-N 0 0 431.539 3.630 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1ccc2c(c1)OCCO2 ZINC000003560233 568750661 /nfs/dbraw/zinc/75/06/61/568750661.db2.gz MTNHGQGPTSMBBX-UHFFFAOYSA-N 0 0 431.901 3.612 50 0 IHAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003550762 568750700 /nfs/dbraw/zinc/75/07/00/568750700.db2.gz NMQCCELFOJOBTI-UHFFFAOYSA-N 0 0 440.978 3.886 50 0 IHAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000003594536 568751279 /nfs/dbraw/zinc/75/12/79/568751279.db2.gz YKEKTYIXLJBVOI-GOSISDBHSA-N 0 0 436.693 3.508 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)ccc1OC(C)=O ZINC000003636549 568752137 /nfs/dbraw/zinc/75/21/37/568752137.db2.gz UXLXVMBCDQBBCY-YJYMSZOUSA-N 0 0 446.525 3.611 50 0 IHAARN Cc1cccn2cc(CN3CCN(C(=O)c4ccccc4C(F)(F)F)CCC3=O)nc12 ZINC000299760312 568755778 /nfs/dbraw/zinc/75/57/78/568755778.db2.gz PPDDIQXCBLRKFE-UHFFFAOYSA-N 0 0 430.430 3.536 50 0 IHAARN O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000299761880 568756015 /nfs/dbraw/zinc/75/60/15/568756015.db2.gz YUZDVWZRTQDKSA-JOCHJYFZSA-N 0 0 429.520 3.943 50 0 IHAARN Cc1noc(C)c1CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000299777318 568757007 /nfs/dbraw/zinc/75/70/07/568757007.db2.gz MTCCVEHOLYVWIF-XLIONFOSSA-N 0 0 449.473 3.892 50 0 IHAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccco5)CC[C@@H]43)cc2)n1 ZINC000299803074 568758188 /nfs/dbraw/zinc/75/81/88/568758188.db2.gz WAUDOTZOZOBZSS-PKTZIBPZSA-N 0 0 446.551 3.908 50 0 IHAARN COc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)Nc2ccc3c(ccn3C)c2)cc1OC ZINC000001413549 568758554 /nfs/dbraw/zinc/75/85/54/568758554.db2.gz WDZPRVQDJJRRDI-VWLOTQADSA-N 0 0 435.524 3.758 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171287 568760665 /nfs/dbraw/zinc/76/06/65/568760665.db2.gz QHWCEOJNUJKGCS-SCTDSRPQSA-N 0 0 432.307 3.538 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O ZINC000263616489 568776654 /nfs/dbraw/zinc/77/66/54/568776654.db2.gz JABIQVDEJVSUPK-UHFFFAOYSA-N 0 0 426.476 3.975 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)c1 ZINC000001288021 568777126 /nfs/dbraw/zinc/77/71/26/568777126.db2.gz PEUFWXNWKIYXAG-UHFFFAOYSA-N 0 0 445.566 3.586 50 0 IHAARN O=C(Nc1ccccc1F)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263618503 568777654 /nfs/dbraw/zinc/77/76/54/568777654.db2.gz UCSYZGRZPYKRHO-QFIPXVFZSA-N 0 0 448.498 3.785 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(Br)c(C)c4)c3CO2)cc1 ZINC000263619574 568778399 /nfs/dbraw/zinc/77/83/99/568778399.db2.gz ZIDGYTYFZQFOFT-SFHVURJKSA-N 0 0 443.301 3.881 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1OC ZINC000001332880 568780500 /nfs/dbraw/zinc/78/05/00/568780500.db2.gz XMXZEWAKBMFSGF-UHFFFAOYSA-N 0 0 438.509 3.686 50 0 IHAARN COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000001362646 568782149 /nfs/dbraw/zinc/78/21/49/568782149.db2.gz YQXGBHWECDJYLJ-HNNXBMFYSA-N 0 0 433.917 3.967 50 0 IHAARN Cn1nc(C(F)(F)F)c(COC(=O)C2CC2)c1S(=O)(=O)Cc1ccccc1Cl ZINC000001391512 568785194 /nfs/dbraw/zinc/78/51/94/568785194.db2.gz VYEALHWNAMDPER-UHFFFAOYSA-N 0 0 436.839 3.519 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c2cccnc12 ZINC000083937455 568786157 /nfs/dbraw/zinc/78/61/57/568786157.db2.gz GXOXWPDVRSGKJN-AWEZNQCLSA-N 0 0 440.297 3.998 50 0 IHAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5ccco5)c(=O)n42)c2ccccc2CC3)c1 ZINC000001406855 568787234 /nfs/dbraw/zinc/78/72/34/568787234.db2.gz CQMLRFPMFZSUHN-DLBLZJNESA-N 0 0 440.524 3.920 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000001134432 568788222 /nfs/dbraw/zinc/78/82/22/568788222.db2.gz XMRTYCMJBXESHZ-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F ZINC000084072128 568791399 /nfs/dbraw/zinc/79/13/99/568791399.db2.gz UXYSPZDCFUFBNW-NVXWUHKLSA-N 0 0 431.389 3.985 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(F)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001422488 568793398 /nfs/dbraw/zinc/79/33/98/568793398.db2.gz CERHCYKACCXTPT-IBGZPJMESA-N 0 0 430.457 3.518 50 0 IHAARN O=C(CN1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1)N1CCCCCC1 ZINC000084421661 568797919 /nfs/dbraw/zinc/79/79/19/568797919.db2.gz RIIKIURCHXFKDQ-UHFFFAOYSA-N 0 0 433.021 3.984 50 0 IHAARN CC(C)C[C@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000084509809 568798391 /nfs/dbraw/zinc/79/83/91/568798391.db2.gz NZMIWRUXNSPTIV-HNNXBMFYSA-N 0 0 445.368 3.931 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000015584350 568799039 /nfs/dbraw/zinc/79/90/39/568799039.db2.gz JTAKMCCVLUGHHX-ARFHVFGLSA-N 0 0 448.972 3.729 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cn1cccn1 ZINC000084647842 568799638 /nfs/dbraw/zinc/79/96/38/568799638.db2.gz DIQNDMYLRJGJMK-WZONZLPQSA-N 0 0 435.524 3.989 50 0 IHAARN CCCc1cc(NCCCCCc2nc(-c3ccc(O)c(OC)c3)no2)n2ncnc2n1 ZINC000084758981 568801157 /nfs/dbraw/zinc/80/11/57/568801157.db2.gz BYZWMPDUYCAAAX-UHFFFAOYSA-N 0 0 437.504 3.666 50 0 IHAARN CCS(=O)(=O)CCn1ccc(NCc2cc(Cl)ccc2OCc2cccnc2)n1 ZINC000084811068 568801772 /nfs/dbraw/zinc/80/17/72/568801772.db2.gz OVRKQNCJHRPTHB-UHFFFAOYSA-N 0 0 434.949 3.557 50 0 IHAARN Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(C)n2)cc1 ZINC000015671311 568802663 /nfs/dbraw/zinc/80/26/63/568802663.db2.gz MUWIDYKLCFXMBM-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN CCN1c2cc(NC(=O)NCCCN3CCOCC3)ccc2Sc2ccccc2C1=O ZINC000015671899 568802966 /nfs/dbraw/zinc/80/29/66/568802966.db2.gz YNZIKRLEQNEYPJ-UHFFFAOYSA-N 0 0 440.569 3.662 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678104 568804560 /nfs/dbraw/zinc/80/45/60/568804560.db2.gz WFPMSYOYBRHFGI-VWLOTQADSA-N 0 0 440.588 3.907 50 0 IHAARN O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677599 568804629 /nfs/dbraw/zinc/80/46/29/568804629.db2.gz NFVOQCKMBFMGCK-UHFFFAOYSA-N 0 0 434.540 3.500 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCCOC(C)C)C4)sc3n2)cc1 ZINC000015679501 568806027 /nfs/dbraw/zinc/80/60/27/568806027.db2.gz XRJZUCXTICBWSF-IBGZPJMESA-N 0 0 441.601 3.914 50 0 IHAARN COc1ccc(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1OC ZINC000015681534 568806642 /nfs/dbraw/zinc/80/66/42/568806642.db2.gz AAUYEVQMEWNNPE-UHFFFAOYSA-N 0 0 434.471 3.792 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000015726717 568812425 /nfs/dbraw/zinc/81/24/25/568812425.db2.gz RBXOWANTNWEBAG-CVEARBPZSA-N 0 0 446.594 3.578 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000015732593 568815435 /nfs/dbraw/zinc/81/54/35/568815435.db2.gz WDXCTOSRLSUOOP-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN CCc1cc2c(cc1S(=O)(=O)N1CCN(C3CCCCC3)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733848 568816059 /nfs/dbraw/zinc/81/60/59/568816059.db2.gz BHOBOAJBNGXDOA-UHFFFAOYSA-N 0 0 443.613 3.888 50 0 IHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000001463576 568819842 /nfs/dbraw/zinc/81/98/42/568819842.db2.gz HQLZRCFNUOCUHX-QGZVFWFLSA-N 0 0 445.541 3.521 50 0 IHAARN CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 ZINC000015771804 568822607 /nfs/dbraw/zinc/82/26/07/568822607.db2.gz DSSBZIOPMICENR-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 ZINC000015771842 568822616 /nfs/dbraw/zinc/82/26/16/568822616.db2.gz RLSXSNHVVKCPQT-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21 ZINC000015781471 568825947 /nfs/dbraw/zinc/82/59/47/568825947.db2.gz JPSIIHXKQOAYQY-UHFFFAOYSA-N 0 0 436.599 3.823 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 ZINC000015783980 568826768 /nfs/dbraw/zinc/82/67/68/568826768.db2.gz FOWZEOYSUCWKAU-UHFFFAOYSA-N 0 0 446.529 3.517 50 0 IHAARN COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O ZINC000085601902 568827259 /nfs/dbraw/zinc/82/72/59/568827259.db2.gz FHKOEJQFTTUNCO-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1 ZINC000085643879 568829162 /nfs/dbraw/zinc/82/91/62/568829162.db2.gz MQXYSWRORLLIJN-UHFFFAOYSA-N 0 0 440.433 3.708 50 0 IHAARN CCc1nc(-c2cc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)c(C)s2)no1 ZINC000085650187 568830749 /nfs/dbraw/zinc/83/07/49/568830749.db2.gz ZTSCQENTMLZGOV-UHFFFAOYSA-N 0 0 432.889 3.686 50 0 IHAARN COc1cc(CNS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc(OC)c1OC ZINC000085651100 568831888 /nfs/dbraw/zinc/83/18/88/568831888.db2.gz GHZAWGHUARXFOZ-UHFFFAOYSA-N 0 0 438.527 3.524 50 0 IHAARN CCc1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000085654118 568832385 /nfs/dbraw/zinc/83/23/85/568832385.db2.gz VOGZQVMWQDOURB-UHFFFAOYSA-N 0 0 430.552 3.764 50 0 IHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cc(Br)ccc3OC)N2C1=O ZINC000001019868 568838193 /nfs/dbraw/zinc/83/81/93/568838193.db2.gz GSDZNLHIGOLTGL-UKRRQHHQSA-N 0 0 439.331 3.669 50 0 IHAARN COc1cnc(CSc2nncn2C)cc1OCC(=O)Nc1cccc2ccccc21 ZINC000015823914 568840210 /nfs/dbraw/zinc/84/02/10/568840210.db2.gz JECVXDBVMYDFRV-UHFFFAOYSA-N 0 0 435.509 3.682 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1c2ccccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000015829309 568841208 /nfs/dbraw/zinc/84/12/08/568841208.db2.gz RSDKFZGRFMQOJR-LJQANCHMSA-N 0 0 431.492 3.662 50 0 IHAARN COc1cccc(-c2nc(Cn3c4ccccc4c(=O)n(C(C)C)c3=O)c(C)o2)c1OC ZINC000015829284 568841222 /nfs/dbraw/zinc/84/12/22/568841222.db2.gz VIDNRAIXWKBRQJ-UHFFFAOYSA-N 0 0 435.480 3.773 50 0 IHAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1Cl ZINC000015832873 568842126 /nfs/dbraw/zinc/84/21/26/568842126.db2.gz CRHMRNNYDADNOX-LJQANCHMSA-N 0 0 433.917 3.929 50 0 IHAARN Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CC3 ZINC000015842037 568844498 /nfs/dbraw/zinc/84/44/98/568844498.db2.gz CMRBWZXWYGEFIA-UHFFFAOYSA-N 0 0 435.549 3.921 50 0 IHAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)C1=O ZINC000015858446 568846612 /nfs/dbraw/zinc/84/66/12/568846612.db2.gz HXLRUSQYCXLQLK-JTQLQIEISA-N 0 0 446.834 3.924 50 0 IHAARN Cc1ccc2nc(C)c(Cc3nnc(SCCOc4ccccc4C)n3C)c(=O)n2c1 ZINC000015859189 568846967 /nfs/dbraw/zinc/84/69/67/568846967.db2.gz OCAMXAKNHZDJHJ-UHFFFAOYSA-N 0 0 435.553 3.510 50 0 IHAARN CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000015861966 568848457 /nfs/dbraw/zinc/84/84/57/568848457.db2.gz COLGRFAPHZUHKP-UHFFFAOYSA-N 0 0 426.317 3.683 50 0 IHAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccnn4C)cc3C)s2)cc1 ZINC000015862067 568848482 /nfs/dbraw/zinc/84/84/82/568848482.db2.gz UJFOBEIUCLEPGQ-UHFFFAOYSA-N 0 0 441.538 3.700 50 0 IHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000015865403 568850107 /nfs/dbraw/zinc/85/01/07/568850107.db2.gz HWBARVPNYKULAZ-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccc(F)cc4)cc3)nc2c1 ZINC000015865481 568850608 /nfs/dbraw/zinc/85/06/08/568850608.db2.gz LNWVLBSSHMCDIL-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015867971 568851413 /nfs/dbraw/zinc/85/14/13/568851413.db2.gz JCFRCLXMDCZFBQ-LJQANCHMSA-N 0 0 426.480 3.906 50 0 IHAARN CCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc2s1 ZINC000015870047 568851503 /nfs/dbraw/zinc/85/15/03/568851503.db2.gz QDVLZCCEJNXAMR-UHFFFAOYSA-N 0 0 432.527 3.794 50 0 IHAARN O=C(CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCN(c2ccccc2)CC1 ZINC000015868565 568851969 /nfs/dbraw/zinc/85/19/69/568851969.db2.gz LJGQDPIIMIFIMP-UHFFFAOYSA-N 0 0 430.552 3.759 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(F)cc2)cc1 ZINC000015883930 568858270 /nfs/dbraw/zinc/85/82/70/568858270.db2.gz FBSDFGPIOFMVIH-UHFFFAOYSA-N 0 0 428.485 3.936 50 0 IHAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000012939437 568868665 /nfs/dbraw/zinc/86/86/65/568868665.db2.gz HHHDIFZAHZXOQI-ZDUSSCGKSA-N 0 0 437.518 3.891 50 0 IHAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012945926 568870927 /nfs/dbraw/zinc/87/09/27/568870927.db2.gz FCFCTQJZRBBJER-UHFFFAOYSA-N 0 0 449.960 3.971 50 0 IHAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012949912 568871861 /nfs/dbraw/zinc/87/18/61/568871861.db2.gz DRGYDRADSNTZNE-NRFANRHFSA-N 0 0 429.567 3.585 50 0 IHAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1 ZINC000012950813 568872170 /nfs/dbraw/zinc/87/21/70/568872170.db2.gz SPVKKKZPFCENQR-UHFFFAOYSA-N 0 0 433.549 3.724 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 ZINC000016175901 568872273 /nfs/dbraw/zinc/87/22/73/568872273.db2.gz MMQKFAOAZPGSLW-UHFFFAOYSA-N 0 0 429.586 3.636 50 0 IHAARN O=C(Nc1cc(F)cc(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000016305497 568876418 /nfs/dbraw/zinc/87/64/18/568876418.db2.gz WYPFQRRFHQPJLR-IBGZPJMESA-N 0 0 434.439 3.632 50 0 IHAARN CCN(CC)c1ccc(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1 ZINC000575612292 568879299 /nfs/dbraw/zinc/87/92/99/568879299.db2.gz LAJJDCWMOJNCBH-SFHVURJKSA-N 0 0 433.350 3.769 50 0 IHAARN CN1C(=O)c2ccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cc2C1=O ZINC000006287843 568882072 /nfs/dbraw/zinc/88/20/72/568882072.db2.gz XLEZNFMBOKURJG-UHFFFAOYSA-N 0 0 445.500 3.618 50 0 IHAARN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)Cc3ccccc32)cn1 ZINC000575618834 568882222 /nfs/dbraw/zinc/88/22/22/568882222.db2.gz JGAXSRXRNDYOII-HNNXBMFYSA-N 0 0 438.372 3.581 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@@H]([C@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C2)C1=O ZINC000169306161 568883613 /nfs/dbraw/zinc/88/36/13/568883613.db2.gz JQRMVDOOOSTCBW-KTIHBUSBSA-N 0 0 442.515 3.955 50 0 IHAARN O=C(Cn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21)N1CCCCCC1 ZINC000009519468 568883632 /nfs/dbraw/zinc/88/36/32/568883632.db2.gz MQRJCVZSZDPEBR-UHFFFAOYSA-N 0 0 429.520 3.816 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229653530 568886701 /nfs/dbraw/zinc/88/67/01/568886701.db2.gz LOHHOWLCEFWUJV-BBTUJRGHSA-N 0 0 449.599 3.532 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@@H](C)O1 ZINC000229719884 568886829 /nfs/dbraw/zinc/88/68/29/568886829.db2.gz XQUPNPJLIVFUQG-QINHECLXSA-N 0 0 434.583 3.523 50 0 IHAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000090530714 568887317 /nfs/dbraw/zinc/88/73/17/568887317.db2.gz DBPSUIWSLLLROI-UHFFFAOYSA-N 0 0 431.471 3.971 50 0 IHAARN COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3sc(C)nc3C)C2)nn1 ZINC000090593028 568888987 /nfs/dbraw/zinc/88/89/87/568888987.db2.gz JRYRQMMDSZYGTE-KRWDZBQOSA-N 0 0 437.569 3.758 50 0 IHAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012973523 568889777 /nfs/dbraw/zinc/88/97/77/568889777.db2.gz ZIDDYVDRPZSOIW-UHFFFAOYSA-N 0 0 441.500 3.822 50 0 IHAARN CCCCOc1ccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 ZINC000090607892 568890402 /nfs/dbraw/zinc/89/04/02/568890402.db2.gz GBJHEAFDNJLUJR-UHFFFAOYSA-N 0 0 432.528 3.757 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSC2=NCCS2)CC1 ZINC000090608324 568891107 /nfs/dbraw/zinc/89/11/07/568891107.db2.gz QFDQTYAEOXACGZ-OAHLLOKOSA-N 0 0 438.018 3.768 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1F ZINC000090617473 568892753 /nfs/dbraw/zinc/89/27/53/568892753.db2.gz VJXMVCLNNFZXOE-UHFFFAOYSA-N 0 0 427.544 3.562 50 0 IHAARN Cc1cc(=O)oc2cc(OC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)ccc12 ZINC000018230642 568894549 /nfs/dbraw/zinc/89/45/49/568894549.db2.gz WDMMCHYTRIAGAG-UHFFFAOYSA-N 0 0 436.489 3.747 50 0 IHAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012982909 568894826 /nfs/dbraw/zinc/89/48/26/568894826.db2.gz PKRRWJBWBRCOFH-QGZVFWFLSA-N 0 0 449.619 3.974 50 0 IHAARN CSc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 ZINC000040040473 568896245 /nfs/dbraw/zinc/89/62/45/568896245.db2.gz CXHDXJZDPNZOJZ-CYBMUJFWSA-N 0 0 440.550 3.968 50 0 IHAARN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1C(F)(F)F ZINC000040051447 568896286 /nfs/dbraw/zinc/89/62/86/568896286.db2.gz KQCGZODFHRHEGP-ZDUSSCGKSA-N 0 0 437.418 3.645 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000013005095 568899151 /nfs/dbraw/zinc/89/91/51/568899151.db2.gz IEVVMGZLRMPBNS-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cn1ncc2ccccc2c1=O ZINC000013005629 568899376 /nfs/dbraw/zinc/89/93/76/568899376.db2.gz CJAQUZWEDUISGD-UHFFFAOYSA-N 0 0 449.942 3.570 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000013009632 568899794 /nfs/dbraw/zinc/89/97/94/568899794.db2.gz WGPHPJOFJLYPAN-UHFFFAOYSA-N 0 0 426.485 3.591 50 0 IHAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000013012463 568901222 /nfs/dbraw/zinc/90/12/22/568901222.db2.gz FSSYAPLYJGJMOR-UHFFFAOYSA-N 0 0 438.549 3.836 50 0 IHAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000013013042 568901482 /nfs/dbraw/zinc/90/14/82/568901482.db2.gz FWDLFTXXGSZGEP-UHFFFAOYSA-N 0 0 435.958 3.959 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@@H](C)O1 ZINC000013013988 568901685 /nfs/dbraw/zinc/90/16/85/568901685.db2.gz AKNCWVSFHYCAIJ-GHMZBOCLSA-N 0 0 428.327 3.906 50 0 IHAARN CCOCCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 ZINC000001745390 568903037 /nfs/dbraw/zinc/90/30/37/568903037.db2.gz ATDLVRJXPFIZMM-UHFFFAOYSA-N 0 0 436.302 3.968 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000239203518 568910864 /nfs/dbraw/zinc/91/08/64/568910864.db2.gz SNTJTEVKGUJQCL-BUUDZMLXSA-N 0 0 440.540 3.716 50 0 IHAARN COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C(O)c1ccccc1 ZINC000245245211 568913333 /nfs/dbraw/zinc/91/33/33/568913333.db2.gz CAPYRYAACVZIHP-XQBPLPMBSA-N 0 0 444.409 3.952 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC[C@H]2COc3ccccc3O2)cc1 ZINC000089365493 568921152 /nfs/dbraw/zinc/92/11/52/568921152.db2.gz XORRNHBLVKCPRB-LJQANCHMSA-N 0 0 439.489 3.509 50 0 IHAARN CON(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000089364942 568921206 /nfs/dbraw/zinc/92/12/06/568921206.db2.gz XHTHGLWBVPKKOG-UHFFFAOYSA-N 0 0 446.525 3.577 50 0 IHAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000001916995 568922674 /nfs/dbraw/zinc/92/26/74/568922674.db2.gz SXZJUQGBJVCFDA-SFHVURJKSA-N 0 0 428.872 3.533 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(OC)c1OC ZINC000089435052 568924772 /nfs/dbraw/zinc/92/47/72/568924772.db2.gz NWBGVUMWIHMSNF-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN Cc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)CC(C)C)cc1 ZINC000016613251 568925795 /nfs/dbraw/zinc/92/57/95/568925795.db2.gz DZYLNKNWBQYMAJ-UHFFFAOYSA-N 0 0 427.932 3.580 50 0 IHAARN CCNC(=O)N1CCN(c2nn3c(nc(-c4ccccc4C)c3NC(C)(C)C)s2)CC1 ZINC000064450920 568928881 /nfs/dbraw/zinc/92/88/81/568928881.db2.gz KULTUUJORFFXRB-UHFFFAOYSA-N 0 0 441.605 3.828 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)c1 ZINC000016653743 568929716 /nfs/dbraw/zinc/92/97/16/568929716.db2.gz XVVPPXJPURNZND-UHFFFAOYSA-N 0 0 443.477 3.579 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473058 568930420 /nfs/dbraw/zinc/93/04/20/568930420.db2.gz ZCSDYMOHMOGPOG-UHFFFAOYSA-N 0 0 429.480 3.628 50 0 IHAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000006547747 568930911 /nfs/dbraw/zinc/93/09/11/568930911.db2.gz XADRACODGWZAHS-UXHICEINSA-N 0 0 445.560 3.698 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)c(C)c2)CC3)cc1 ZINC000064566021 568932782 /nfs/dbraw/zinc/93/27/82/568932782.db2.gz SQMSRRXGRMLKDY-UHFFFAOYSA-N 0 0 443.544 3.640 50 0 IHAARN COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c(C)c1 ZINC000064566189 568932989 /nfs/dbraw/zinc/93/29/89/568932989.db2.gz CGAGOEPWLXXUDX-UHFFFAOYSA-N 0 0 447.470 3.792 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1C ZINC000064566201 568933004 /nfs/dbraw/zinc/93/30/04/568933004.db2.gz IPYUBKOJEPIGGN-UHFFFAOYSA-N 0 0 427.508 3.876 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)Cc1ccccc1F)C2 ZINC000064566145 568933044 /nfs/dbraw/zinc/93/30/44/568933044.db2.gz CDIUGCLDHSCXJJ-UHFFFAOYSA-N 0 0 435.434 3.543 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000064580475 568934445 /nfs/dbraw/zinc/93/44/45/568934445.db2.gz CXDAKFULXKYWSB-UHFFFAOYSA-N 0 0 439.537 3.688 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000064580488 568934511 /nfs/dbraw/zinc/93/45/11/568934511.db2.gz JWYHDQOONXQDFB-UHFFFAOYSA-N 0 0 437.565 3.665 50 0 IHAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccccc3OC)ccn12)C(=O)Nc1ccccc1C ZINC000064593102 568935801 /nfs/dbraw/zinc/93/58/01/568935801.db2.gz WVJZPYLPHMTITJ-IBGZPJMESA-N 0 0 449.536 3.707 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593552 568935916 /nfs/dbraw/zinc/93/59/16/568935916.db2.gz VSWVWCUHRQFTAC-UHFFFAOYSA-N 0 0 433.537 3.790 50 0 IHAARN CCOc1ccc(NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000064611404 568939950 /nfs/dbraw/zinc/93/99/50/568939950.db2.gz CEKWDVIIGFLYKL-VWLOTQADSA-N 0 0 435.568 3.882 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cccc(C)c4n3)CC2)cc1 ZINC000006657901 568944264 /nfs/dbraw/zinc/94/42/64/568944264.db2.gz CZDYZXQGZXWBKR-GOSISDBHSA-N 0 0 426.586 3.663 50 0 IHAARN CN1CCN(C(=O)c2coc(CN(Cc3ccccc3)Cc3cccc(Cl)c3)n2)CC1 ZINC000036072294 568946050 /nfs/dbraw/zinc/94/60/50/568946050.db2.gz MLDYXLMKJDQXOG-UHFFFAOYSA-N 0 0 438.959 3.918 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036083711 568947471 /nfs/dbraw/zinc/94/74/71/568947471.db2.gz SEFGGJYKKCHJEU-HXUWFJFHSA-N 0 0 432.423 3.566 50 0 IHAARN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087080 568949407 /nfs/dbraw/zinc/94/94/07/568949407.db2.gz JICCAYXVJQVCGJ-UHFFFAOYSA-N 0 0 446.894 3.657 50 0 IHAARN Cc1sc(-c2ccc(=O)n(C)n2)cc1S(=O)(=O)N(Cc1ccco1)C1CCCCC1 ZINC000064748079 568950540 /nfs/dbraw/zinc/95/05/40/568950540.db2.gz PYZNYCNONXZZSH-UHFFFAOYSA-N 0 0 447.582 3.934 50 0 IHAARN CCCCOc1ccc(CNC(=O)Cn2ncc3c2ncnc3N2CCCCCC2)cc1 ZINC000064761563 568952454 /nfs/dbraw/zinc/95/24/54/568952454.db2.gz YTCSYNAKUCXYAM-UHFFFAOYSA-N 0 0 436.560 3.702 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)CC ZINC000036117411 568955780 /nfs/dbraw/zinc/95/57/80/568955780.db2.gz ZBSUSHYHCWVOPG-FQEVSTJZSA-N 0 0 430.570 3.910 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)CC1CC1 ZINC000036117478 568955792 /nfs/dbraw/zinc/95/57/92/568955792.db2.gz YSBBSONDJLRKKX-OAQYLSRUSA-N 0 0 442.581 3.910 50 0 IHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(C)=O)c1 ZINC000036117144 568955935 /nfs/dbraw/zinc/95/59/35/568955935.db2.gz AAXNACIQDZFYFW-OAQYLSRUSA-N 0 0 430.570 3.766 50 0 IHAARN COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(NC(C)=O)c4)c(=O)n23)c1 ZINC000064787968 568956451 /nfs/dbraw/zinc/95/64/51/568956451.db2.gz VSRNMCHOCNBZAP-UHFFFAOYSA-N 0 0 434.477 3.642 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4c(F)cccc4F)c(=O)n23)c1 ZINC000064788064 568956466 /nfs/dbraw/zinc/95/64/66/568956466.db2.gz UAYOEHQLSGIYQP-UHFFFAOYSA-N 0 0 443.431 3.971 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(F)cc4)c(=O)n23)c1 ZINC000064788055 568956469 /nfs/dbraw/zinc/95/64/69/568956469.db2.gz NBXDHADMXNWMHA-UHFFFAOYSA-N 0 0 425.441 3.832 50 0 IHAARN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2ccc(Cl)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788231 568956630 /nfs/dbraw/zinc/95/66/30/568956630.db2.gz JUWRNAICGMZFSH-QFIPXVFZSA-N 0 0 435.911 3.787 50 0 IHAARN CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)CC1 ZINC000064789535 568956847 /nfs/dbraw/zinc/95/68/47/568956847.db2.gz UAGZJTNXYZAVQS-INIZCTEOSA-N 0 0 428.920 3.630 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(C)C ZINC000036122321 568958190 /nfs/dbraw/zinc/95/81/90/568958190.db2.gz QFYNVHICCKYPTM-HXUWFJFHSA-N 0 0 445.585 3.701 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000036123246 568958496 /nfs/dbraw/zinc/95/84/96/568958496.db2.gz XUGAIYHRDYGMGZ-HXUWFJFHSA-N 0 0 445.560 3.976 50 0 IHAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2cc(F)ccc2C)c1C ZINC000064792324 568959179 /nfs/dbraw/zinc/95/91/79/568959179.db2.gz GRYWBZTVURHCGU-UHFFFAOYSA-N 0 0 433.487 3.905 50 0 IHAARN Cc1cccc(NC(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)c1 ZINC000064792380 568959210 /nfs/dbraw/zinc/95/92/10/568959210.db2.gz MVSBNOWBNAJBGE-UHFFFAOYSA-N 0 0 435.915 3.937 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NC1CCCC1 ZINC000064793710 568959757 /nfs/dbraw/zinc/95/97/57/568959757.db2.gz RDYOCODMUIUIED-NRFANRHFSA-N 0 0 434.931 3.836 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)N1CCCCC1 ZINC000064793563 568959789 /nfs/dbraw/zinc/95/97/89/568959789.db2.gz MNFXMACWBFECBB-NRFANRHFSA-N 0 0 434.931 3.790 50 0 IHAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798152 568960344 /nfs/dbraw/zinc/96/03/44/568960344.db2.gz XNZJQVSNKHJMSK-MRXNPFEDSA-N 0 0 427.503 3.842 50 0 IHAARN COCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)NC(C)C)ccc1N(C)C ZINC000006712889 568960925 /nfs/dbraw/zinc/96/09/25/568960925.db2.gz MMVHGSJIKVFQFI-UHFFFAOYSA-N 0 0 430.524 3.597 50 0 IHAARN CCn1nc(C)c2nc(SCc3ccccc3)n(Cc3ccc4c(c3)OCO4)c(=O)c21 ZINC000064817355 568964522 /nfs/dbraw/zinc/96/45/22/568964522.db2.gz LTAQUUVROMPVDT-UHFFFAOYSA-N 0 0 434.521 3.991 50 0 IHAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000064816445 568965173 /nfs/dbraw/zinc/96/51/73/568965173.db2.gz QBRVYIXMADWUIF-HSZRJFAPSA-N 0 0 438.915 3.589 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(C)cc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000064816430 568965303 /nfs/dbraw/zinc/96/53/03/568965303.db2.gz FMQLAEPNKOAPBO-VWLOTQADSA-N 0 0 432.524 3.552 50 0 IHAARN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COc1ccccc1 ZINC000036156946 568965654 /nfs/dbraw/zinc/96/56/54/568965654.db2.gz UJHZIFSCMYKCHI-MRXNPFEDSA-N 0 0 427.570 3.514 50 0 IHAARN COc1cc([C@@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819727 568966726 /nfs/dbraw/zinc/96/67/26/568966726.db2.gz UFWBAXURHGIPQC-IBGZPJMESA-N 0 0 435.274 3.714 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccc(F)cc1 ZINC000036162853 568967843 /nfs/dbraw/zinc/96/78/43/568967843.db2.gz NAUNHNDUVOWAAB-QFIPXVFZSA-N 0 0 429.517 3.701 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1OC ZINC000064837482 568969254 /nfs/dbraw/zinc/96/92/54/568969254.db2.gz DKXFUZHPYYQSJL-UHFFFAOYSA-N 0 0 430.526 3.805 50 0 IHAARN COc1cc(NC(=O)N(C)CCc2noc(COc3ccccc3F)n2)cc(OC)c1 ZINC000064840418 568969855 /nfs/dbraw/zinc/96/98/55/568969855.db2.gz KREIUPBJSODYFU-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccc(Cl)cc3)[C@@](C)(O2)[C@H]1C(=O)N(C)C ZINC000036186868 568970326 /nfs/dbraw/zinc/97/03/26/568970326.db2.gz KRMREBSOPQCLBS-OPYAIIAOSA-N 0 0 431.945 3.597 50 0 IHAARN COc1cccc(-c2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c3noc(C)c32)c1 ZINC000064842359 568970895 /nfs/dbraw/zinc/97/08/95/568970895.db2.gz MCTIORZLFIRVTD-UHFFFAOYSA-N 0 0 442.834 3.800 50 0 IHAARN COc1ccc(-c2nn([C@@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842695 568970929 /nfs/dbraw/zinc/97/09/29/568970929.db2.gz JXRDPQJZNOOKHI-HNNXBMFYSA-N 0 0 432.480 3.901 50 0 IHAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)CC(C)C ZINC000036208097 568973038 /nfs/dbraw/zinc/97/30/38/568973038.db2.gz CZSHHORELSIVQN-UHFFFAOYSA-N 0 0 442.604 3.895 50 0 IHAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)c2)c1C ZINC000064867232 568974985 /nfs/dbraw/zinc/97/49/85/568974985.db2.gz LCHZYIHVZKNFPE-UHFFFAOYSA-N 0 0 430.501 3.886 50 0 IHAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867224 568975015 /nfs/dbraw/zinc/97/50/15/568975015.db2.gz IAZXHYKUONUDJJ-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(F)c2)CC3)cc1OC ZINC000064868402 568975527 /nfs/dbraw/zinc/97/55/27/568975527.db2.gz MJNRASISJGTZSJ-UHFFFAOYSA-N 0 0 434.514 3.713 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(OC)ccc2OC)CC3)cc1 ZINC000064868175 568975540 /nfs/dbraw/zinc/97/55/40/568975540.db2.gz FUHLYBCUUKCBHT-UHFFFAOYSA-N 0 0 446.550 3.583 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036211983 568975814 /nfs/dbraw/zinc/97/58/14/568975814.db2.gz GGZGQILQLQRTOT-GBXCKJPGSA-N 0 0 449.595 3.869 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036211962 568975818 /nfs/dbraw/zinc/97/58/18/568975818.db2.gz UYINZXUTNHHMKP-DYESRHJHSA-N 0 0 441.597 3.622 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036211985 568975926 /nfs/dbraw/zinc/97/59/26/568975926.db2.gz GGZGQILQLQRTOT-YKSBVNFPSA-N 0 0 449.595 3.869 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N3CCCCC3)CC2)c1 ZINC000036212400 568976137 /nfs/dbraw/zinc/97/61/37/568976137.db2.gz YXRHMRJYJAFFHT-DEOSSOPVSA-N 0 0 447.579 3.658 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036212796 568976613 /nfs/dbraw/zinc/97/66/13/568976613.db2.gz GYEVZOYINRDMDZ-QHCPKHFHSA-N 0 0 439.600 3.535 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036213141 568976768 /nfs/dbraw/zinc/97/67/68/568976768.db2.gz CEZVKKFCTWRNBY-GCJKJVERSA-N 0 0 429.605 3.683 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036213137 568976783 /nfs/dbraw/zinc/97/67/83/568976783.db2.gz CEZVKKFCTWRNBY-XMSQKQJNSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000036212898 568976858 /nfs/dbraw/zinc/97/68/58/568976858.db2.gz ZWPIQFJNWLJZIU-DEOSSOPVSA-N 0 0 449.595 3.726 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(C)cc1C ZINC000064889052 568980006 /nfs/dbraw/zinc/98/00/06/568980006.db2.gz DGEYKRGNJITDKY-UHFFFAOYSA-N 0 0 428.558 3.712 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000064889122 568980207 /nfs/dbraw/zinc/98/02/07/568980207.db2.gz DKZPMZVITSIUSW-UHFFFAOYSA-N 0 0 440.569 3.857 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)/C=C/c4ccc(OC)c(OC)c4)CC3)cc2)no1 ZINC000064889462 568980924 /nfs/dbraw/zinc/98/09/24/568980924.db2.gz MGRAUJKVTRTHBC-WUXMJOGZSA-N 0 0 448.523 3.678 50 0 IHAARN O=C(NCc1ccco1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036251723 568984019 /nfs/dbraw/zinc/98/40/19/568984019.db2.gz KIGFTQOVHZSGTH-OAQYLSRUSA-N 0 0 429.948 3.566 50 0 IHAARN O=C(CCc1ccccc1)N1CCN([C@H](C(=O)NCc2ccccc2)C2CCCC2)CC1 ZINC000036251831 568984029 /nfs/dbraw/zinc/98/40/29/568984029.db2.gz RUUSSVNDKWWCBH-SANMLTNESA-N 0 0 433.596 3.639 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250587 568984271 /nfs/dbraw/zinc/98/42/71/568984271.db2.gz HEZKFMRLPAGYQJ-SANMLTNESA-N 0 0 445.607 3.897 50 0 IHAARN O=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252966 568984313 /nfs/dbraw/zinc/98/43/13/568984313.db2.gz DJHLMXSYGZWXMX-XMMPIXPASA-N 0 0 437.559 3.501 50 0 IHAARN O=C(NCc1ccccc1F)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000036255424 568985080 /nfs/dbraw/zinc/98/50/80/568985080.db2.gz IAHYZQRFIQIJQA-OAQYLSRUSA-N 0 0 429.561 3.520 50 0 IHAARN O=S(=O)(c1ccc(-c2nnc(C3CCC3)o2)s1)N1CCN(c2ccccc2)CC1 ZINC000064920478 568985422 /nfs/dbraw/zinc/98/54/22/568985422.db2.gz XXSVXISJYXPDOK-UHFFFAOYSA-N 0 0 430.555 3.577 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(C)n2C)c1 ZINC000064922713 568985970 /nfs/dbraw/zinc/98/59/70/568985970.db2.gz CRZGBTBCLJRCDV-UHFFFAOYSA-N 0 0 449.573 3.558 50 0 IHAARN COc1ccc(-n2nc(N3CCC(C(=O)NC4CCCCCCC4)CC3)ccc2=O)cc1 ZINC000064927137 568986936 /nfs/dbraw/zinc/98/69/36/568986936.db2.gz BIBHEDUJQYVTPV-UHFFFAOYSA-N 0 0 438.572 3.687 50 0 IHAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928452 568987577 /nfs/dbraw/zinc/98/75/77/568987577.db2.gz XMJSIQDQJGJXQB-CQSZACIVSA-N 0 0 428.414 3.505 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928825 568987756 /nfs/dbraw/zinc/98/77/56/568987756.db2.gz ZABDMCRQVAJVGW-LJQANCHMSA-N 0 0 436.943 3.727 50 0 IHAARN O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928789 568987830 /nfs/dbraw/zinc/98/78/30/568987830.db2.gz SLJYIPAMXGJTEO-OAHLLOKOSA-N 0 0 426.879 3.880 50 0 IHAARN Cc1cccc(-c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)c1 ZINC000064929187 568987933 /nfs/dbraw/zinc/98/79/33/568987933.db2.gz YPERDTXXCBTQGF-UHFFFAOYSA-N 0 0 428.945 3.616 50 0 IHAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930026 568988507 /nfs/dbraw/zinc/98/85/07/568988507.db2.gz PMSFLYBYQUOHLI-MRXNPFEDSA-N 0 0 426.473 3.915 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3S(=O)(=O)c3ccccc3)s2)cc1 ZINC000064940896 568989450 /nfs/dbraw/zinc/98/94/50/568989450.db2.gz QCMWRLUBRUXTRU-QGZVFWFLSA-N 0 0 428.539 3.625 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]23)cc1 ZINC000169679330 568991015 /nfs/dbraw/zinc/99/10/15/568991015.db2.gz DTLPHAZFBLJDJI-VPUSJEBWSA-N 0 0 441.575 3.922 50 0 IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O ZINC000064942306 568991226 /nfs/dbraw/zinc/99/12/26/568991226.db2.gz GFXYACQUQWXZAT-UHFFFAOYSA-N 0 0 442.928 3.783 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc([C@@H]2CCCN2S(=O)(=O)c2cccs2)s1 ZINC000064941777 568991257 /nfs/dbraw/zinc/99/12/57/568991257.db2.gz GTFXYBFOYFFGAA-ZDUSSCGKSA-N 0 0 438.531 3.517 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681110 568991444 /nfs/dbraw/zinc/99/14/44/568991444.db2.gz WULOKIDMWGTAOL-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681106 568991482 /nfs/dbraw/zinc/99/14/82/568991482.db2.gz YWXQFBUAHHJPMG-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681155 568991749 /nfs/dbraw/zinc/99/17/49/568991749.db2.gz HFGUWFILEZMXJN-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1 ZINC000064945299 568993576 /nfs/dbraw/zinc/99/35/76/568993576.db2.gz YQAZCDMVVXDMRZ-UHFFFAOYSA-N 0 0 434.521 3.557 50 0 IHAARN Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000064950694 568996126 /nfs/dbraw/zinc/99/61/26/568996126.db2.gz LWAIFRBLJDIIBE-UHFFFAOYSA-N 0 0 447.988 3.739 50 0 IHAARN Cc1ccc(NC(=O)N2CCN([C@@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036310837 568996935 /nfs/dbraw/zinc/99/69/35/568996935.db2.gz ORNYMSXHLXEMSF-HSZRJFAPSA-N 0 0 426.605 3.962 50 0 IHAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccco1 ZINC000036312190 568997657 /nfs/dbraw/zinc/99/76/57/568997657.db2.gz XDVFZNOPMFTRAP-UHFFFAOYSA-N 0 0 426.492 3.878 50 0 IHAARN CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000064957571 568999103 /nfs/dbraw/zinc/99/91/03/568999103.db2.gz HBRIVWNWDKIYKO-UHFFFAOYSA-N 0 0 444.479 3.522 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1Cl ZINC000064957002 568999262 /nfs/dbraw/zinc/99/92/62/568999262.db2.gz GVSTYMJZPVTUOD-UHFFFAOYSA-N 0 0 447.988 3.739 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(F)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959190 568999779 /nfs/dbraw/zinc/99/97/79/568999779.db2.gz QYACVSLHGIESIU-CQSZACIVSA-N 0 0 436.439 3.696 50 0 IHAARN Cc1cccc(CN2CCCn3nc(C(=O)N[C@H](C)CCc4ccccc4)cc3C2=O)c1 ZINC000064959749 569000054 /nfs/dbraw/zinc/00/00/54/569000054.db2.gz JMYRBRLTYRPMDT-HXUWFJFHSA-N 0 0 430.552 3.989 50 0 IHAARN NC(=O)c1nc(-c2ccccc2)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 ZINC000064965876 569001061 /nfs/dbraw/zinc/00/10/61/569001061.db2.gz RQTJVPGHDXCBSO-UHFFFAOYSA-N 0 0 439.450 3.536 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCc1ccc(Cl)cc1)c2=O ZINC000064971151 569076451 /nfs/dbraw/zinc/07/64/51/569076451.db2.gz SFJAHZCCVWRUCB-KRWDZBQOSA-N 0 0 449.942 3.772 50 0 IHAARN CCCCOC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340663 569079001 /nfs/dbraw/zinc/07/90/01/569079001.db2.gz RDROBFIDUQXCSZ-QHCPKHFHSA-N 0 0 440.632 3.546 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036342929 569079422 /nfs/dbraw/zinc/07/94/22/569079422.db2.gz YJQQLLGOULXGMQ-GOTSBHOMSA-N 0 0 437.515 3.921 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000064985286 569081882 /nfs/dbraw/zinc/08/18/82/569081882.db2.gz KNZAUJOYHHDCEH-JOCHJYFZSA-N 0 0 438.505 3.680 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985436 569081965 /nfs/dbraw/zinc/08/19/65/569081965.db2.gz FTJJEJKCNUOKEL-KKSFZXQISA-N 0 0 430.570 3.855 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccco3)Oc3ccc(Cl)cc32)cc1 ZINC000064986155 569082091 /nfs/dbraw/zinc/08/20/91/569082091.db2.gz HDBSEIFIFUQJKH-FQEVSTJZSA-N 0 0 446.912 3.514 50 0 IHAARN CC1(C)CC(=O)c2cnc3c(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cnn3c2C1 ZINC000064987416 569082429 /nfs/dbraw/zinc/08/24/29/569082429.db2.gz PTUNFQRUPKUIML-UHFFFAOYSA-N 0 0 437.931 3.500 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2ccccc2nc(N(C(C)=O)C2CCCCC2)c1=O ZINC000064987666 569082693 /nfs/dbraw/zinc/08/26/93/569082693.db2.gz KUGQRCOSYMSGFQ-UHFFFAOYSA-N 0 0 448.523 3.729 50 0 IHAARN COc1ccccc1-c1nnc(-c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC000064987966 569082790 /nfs/dbraw/zinc/08/27/90/569082790.db2.gz HWMOYJGJDDOXBN-UHFFFAOYSA-N 0 0 443.525 3.986 50 0 IHAARN COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)o2)cc1OC ZINC000064988070 569082826 /nfs/dbraw/zinc/08/28/26/569082826.db2.gz APHXTNGGXXFLJQ-UHFFFAOYSA-N 0 0 443.525 3.950 50 0 IHAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)c1 ZINC000064989077 569082965 /nfs/dbraw/zinc/08/29/65/569082965.db2.gz IGNWWZYVYLNKRA-UHFFFAOYSA-N 0 0 436.512 3.658 50 0 IHAARN COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@H]2C)cc1 ZINC000064990262 569083254 /nfs/dbraw/zinc/08/32/54/569083254.db2.gz FEJPNMDNXWUCRS-GOSISDBHSA-N 0 0 430.504 3.982 50 0 IHAARN COc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000064988730 569083698 /nfs/dbraw/zinc/08/36/98/569083698.db2.gz JCCROTLCOADBJP-UHFFFAOYSA-N 0 0 426.492 3.768 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064991541 569084593 /nfs/dbraw/zinc/08/45/93/569084593.db2.gz KNEYITZWMPTICM-UHFFFAOYSA-N 0 0 448.545 3.706 50 0 IHAARN Cc1ccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998302 569085167 /nfs/dbraw/zinc/08/51/67/569085167.db2.gz IGMYPLINBKRJOZ-UHFFFAOYSA-N 0 0 441.535 3.523 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 ZINC000064999387 569085806 /nfs/dbraw/zinc/08/58/06/569085806.db2.gz DBEKBDBWRCCEJM-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN COc1ccc(-c2nnc3sc([C@@H](C)n4cc(Br)c(C)n4)nn32)cc1OC ZINC000036365678 569086994 /nfs/dbraw/zinc/08/69/94/569086994.db2.gz RLIRBPYNAWCPAQ-SNVBAGLBSA-N 0 0 449.334 3.747 50 0 IHAARN O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)s1)N1CCN(c2ccccc2F)CC1 ZINC000065004170 569087031 /nfs/dbraw/zinc/08/70/31/569087031.db2.gz YDKMPBHOWABMSI-UHFFFAOYSA-N 0 0 433.530 3.931 50 0 IHAARN COCCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000065006793 569087441 /nfs/dbraw/zinc/08/74/41/569087441.db2.gz LHOGEUVZGWJIAT-MRXNPFEDSA-N 0 0 429.586 3.760 50 0 IHAARN COCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006892 569087450 /nfs/dbraw/zinc/08/74/50/569087450.db2.gz UKUHYSXWPQTOSZ-UHFFFAOYSA-N 0 0 433.549 3.653 50 0 IHAARN CN(C)C(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccccc1Br)n2C ZINC000065008393 569087535 /nfs/dbraw/zinc/08/75/35/569087535.db2.gz WOSRMGMSGBJBLR-UHFFFAOYSA-N 0 0 444.333 3.702 50 0 IHAARN O=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000065007466 569087638 /nfs/dbraw/zinc/08/76/38/569087638.db2.gz WETVDUCJZPXKRM-UHFFFAOYSA-N 0 0 426.582 3.786 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1OC ZINC000065007648 569087789 /nfs/dbraw/zinc/08/77/89/569087789.db2.gz UGDVZCLROVXTGF-UHFFFAOYSA-N 0 0 433.512 3.823 50 0 IHAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)n2C)n1 ZINC000065009000 569087916 /nfs/dbraw/zinc/08/79/16/569087916.db2.gz XMXNQYRDSSOURI-UHFFFAOYSA-N 0 0 444.626 3.893 50 0 IHAARN COc1ccc(Nc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)nn2)cc1 ZINC000065009564 569087988 /nfs/dbraw/zinc/08/79/88/569087988.db2.gz ODBSHPRWVCLBGK-UHFFFAOYSA-N 0 0 440.525 3.689 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1OC ZINC000065020959 569088692 /nfs/dbraw/zinc/08/86/92/569088692.db2.gz WWVQHFFXVZMTOU-UHFFFAOYSA-N 0 0 432.542 3.785 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000036370444 569088698 /nfs/dbraw/zinc/08/86/98/569088698.db2.gz BSKKTIHAIIMXPA-FUHWJXTLSA-N 0 0 428.558 3.732 50 0 IHAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)NCc4ccccc4)nn3)CC2)c1 ZINC000065026139 569090936 /nfs/dbraw/zinc/09/09/36/569090936.db2.gz CSDVPMODJPZMEX-UHFFFAOYSA-N 0 0 433.581 3.520 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 ZINC000065030675 569091314 /nfs/dbraw/zinc/09/13/14/569091314.db2.gz VKJIGKAQUHTZKM-UHFFFAOYSA-N 0 0 430.599 3.791 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c2cc(OC)ccc2n1 ZINC000065033187 569091681 /nfs/dbraw/zinc/09/16/81/569091681.db2.gz UFQDPLMXLPFSSQ-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN Cc1oc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c2c1c(C)n[nH]c2=O ZINC000036380059 569091901 /nfs/dbraw/zinc/09/19/01/569091901.db2.gz PTHFDCZYHYFRFA-IBGZPJMESA-N 0 0 440.550 3.842 50 0 IHAARN O=C(c1ccc(Cl)s1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169750940 569092084 /nfs/dbraw/zinc/09/20/84/569092084.db2.gz BPBPYQOQBGJFGM-ZDUSSCGKSA-N 0 0 426.889 3.797 50 0 IHAARN C[C@H](Cc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1N)c1ccccc1 ZINC000006865274 569092591 /nfs/dbraw/zinc/09/25/91/569092591.db2.gz RWJLKCMGCFYFTG-LRYXAPPNSA-N 0 0 425.602 3.515 50 0 IHAARN COc1cc(C(=O)N[C@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)cc(OC)c1OC ZINC000169753311 569093110 /nfs/dbraw/zinc/09/31/10/569093110.db2.gz JALMMHKWBPHBAN-SFHVURJKSA-N 0 0 436.512 3.501 50 0 IHAARN CC(C)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000169752477 569093253 /nfs/dbraw/zinc/09/32/53/569093253.db2.gz MAARFOJLZXBEPV-UHFFFAOYSA-N 0 0 434.471 3.557 50 0 IHAARN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 ZINC000169755050 569093365 /nfs/dbraw/zinc/09/33/65/569093365.db2.gz YTSJOAKDHNRYMM-UHFFFAOYSA-N 0 0 439.313 3.844 50 0 IHAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169754064 569093755 /nfs/dbraw/zinc/09/37/55/569093755.db2.gz IUMTVQZRFIVOEV-KRWDZBQOSA-N 0 0 429.293 3.987 50 0 IHAARN COc1ccc(-c2nc(Cn3c(=O)c(CCO)c(C)nc3-c3ccccc3)c(C)o2)cc1 ZINC000169754335 569093835 /nfs/dbraw/zinc/09/38/35/569093835.db2.gz QIKJFZYTLMPIKR-UHFFFAOYSA-N 0 0 431.492 3.774 50 0 IHAARN O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754952 569093901 /nfs/dbraw/zinc/09/39/01/569093901.db2.gz LEQJCLBEPZGNOU-UHFFFAOYSA-N 0 0 436.256 3.641 50 0 IHAARN CCc1c(C)nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O ZINC000169756967 569093945 /nfs/dbraw/zinc/09/39/45/569093945.db2.gz UMQSGHGHJLTEPG-UHFFFAOYSA-N 0 0 425.460 3.576 50 0 IHAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000169757822 569094013 /nfs/dbraw/zinc/09/40/13/569094013.db2.gz RSWNHISZAVLKCL-IBGZPJMESA-N 0 0 446.290 3.818 50 0 IHAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c(OC)c1 ZINC000169759662 569094069 /nfs/dbraw/zinc/09/40/69/569094069.db2.gz OCQCMSMBWWNEKY-NRFANRHFSA-N 0 0 427.888 3.755 50 0 IHAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3)NC2=O)c(Cl)c1 ZINC000169757850 569094124 /nfs/dbraw/zinc/09/41/24/569094124.db2.gz WKXXPRKAIZTEGB-IBGZPJMESA-N 0 0 446.290 3.818 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c1 ZINC000065058689 569095522 /nfs/dbraw/zinc/09/55/22/569095522.db2.gz XZMCMXVWLUWKND-XMMPIXPASA-N 0 0 425.529 3.963 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)c(C)c1 ZINC000065059463 569096056 /nfs/dbraw/zinc/09/60/56/569096056.db2.gz TUQVCIBUANJCGG-QHCPKHFHSA-N 0 0 432.561 3.858 50 0 IHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059484 569096073 /nfs/dbraw/zinc/09/60/73/569096073.db2.gz LZJILEDCLGFXAO-SFHVURJKSA-N 0 0 430.954 3.648 50 0 IHAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(CCN1CCOCC1)C1CCCC1 ZINC000036392871 569098260 /nfs/dbraw/zinc/09/82/60/569098260.db2.gz LEACAAIHXAOJJH-UHFFFAOYSA-N 0 0 447.583 3.835 50 0 IHAARN O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000036396746 569099162 /nfs/dbraw/zinc/09/91/62/569099162.db2.gz CZFJFWJLWMZFBG-LBPRGKRZSA-N 0 0 425.432 3.582 50 0 IHAARN COc1cc(OC)cc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075211 569099505 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CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000065116350 569107346 /nfs/dbraw/zinc/10/73/46/569107346.db2.gz DIOQDWILJPOGJB-UHFFFAOYSA-N 0 0 431.489 3.788 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000169793926 569108319 /nfs/dbraw/zinc/10/83/19/569108319.db2.gz XZQOPEOFLHTPHE-WOJBJXKFSA-N 0 0 432.586 3.623 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1 ZINC000065113618 569108549 /nfs/dbraw/zinc/10/85/49/569108549.db2.gz DEYBTNICNGXRBW-UHFFFAOYSA-N 0 0 444.491 3.871 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000065130364 569109196 /nfs/dbraw/zinc/10/91/96/569109196.db2.gz WSEFKXZJXCPFMC-UHFFFAOYSA-N 0 0 449.457 3.588 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(CC)c3)nn2)C1 ZINC000065132088 569109664 /nfs/dbraw/zinc/10/96/64/569109664.db2.gz RUJBJQCRDRVTQM-GOSISDBHSA-N 0 0 441.601 3.512 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3c(C)cccc3C)nn2)C1 ZINC000065132055 569109706 /nfs/dbraw/zinc/10/97/06/569109706.db2.gz JIQUOTBJKSNYFU-GOSISDBHSA-N 0 0 441.601 3.567 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c(Cl)c1 ZINC000065150846 569111466 /nfs/dbraw/zinc/11/14/66/569111466.db2.gz XFOBDERLLHGXBJ-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)nc23)c1 ZINC000065150951 569111575 /nfs/dbraw/zinc/11/15/75/569111575.db2.gz FZOBDLBQYCVHRP-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN O=S(=O)(c1ccc(Br)s1)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065169294 569112677 /nfs/dbraw/zinc/11/26/77/569112677.db2.gz HLYLSLXUKYZNJH-UHFFFAOYSA-N 0 0 436.356 3.715 50 0 IHAARN CCn1cc(CCN2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)c2cccnc21 ZINC000065164841 569112925 /nfs/dbraw/zinc/11/29/25/569112925.db2.gz LOCMOXKGZSUXJH-UHFFFAOYSA-N 0 0 447.004 3.567 50 0 IHAARN COc1ccc(CNC(=O)c2csc(-c3ccc(N4CCSCC4)nc3)n2)cc1 ZINC000065165626 569112939 /nfs/dbraw/zinc/11/29/39/569112939.db2.gz SDZZZVFDXWGNOD-UHFFFAOYSA-N 0 0 426.567 3.697 50 0 IHAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000065185160 569114154 /nfs/dbraw/zinc/11/41/54/569114154.db2.gz BYONMFRUXOCNCZ-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(F)c(F)c3)cn12 ZINC000065199234 569115082 /nfs/dbraw/zinc/11/50/82/569115082.db2.gz CLMAHXQXTBJYQE-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN COc1cccc(CCC(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)c1 ZINC000065200668 569115208 /nfs/dbraw/zinc/11/52/08/569115208.db2.gz OUTZCELNSDXBBI-UHFFFAOYSA-N 0 0 442.629 3.665 50 0 IHAARN CSc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)cc1 ZINC000065195545 569115412 /nfs/dbraw/zinc/11/54/12/569115412.db2.gz GFTPUKZKYBHNFX-KRWDZBQOSA-N 0 0 435.549 3.699 50 0 IHAARN O=C(N[C@@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1ccccc1Br ZINC000065209422 569116241 /nfs/dbraw/zinc/11/62/41/569116241.db2.gz DZMJMPVDEYFCHX-QGZVFWFLSA-N 0 0 427.302 3.952 50 0 IHAARN O=C(c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000065210802 569116357 /nfs/dbraw/zinc/11/63/57/569116357.db2.gz KFIZGCZIGSQNQW-UHFFFAOYSA-N 0 0 429.495 3.877 50 0 IHAARN CCN1CCCn2nc(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc2C1=O ZINC000065225819 569117862 /nfs/dbraw/zinc/11/78/62/569117862.db2.gz QRKCDMXPGOAGEE-UHFFFAOYSA-N 0 0 434.462 3.788 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccc5C)CC4)CC3)o2)cc1 ZINC000065229583 569118169 /nfs/dbraw/zinc/11/81/69/569118169.db2.gz OHQKPKPOAGDANG-UHFFFAOYSA-N 0 0 445.567 3.919 50 0 IHAARN Cc1nc(-c2cccnc2N2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)no1 ZINC000065227574 569118177 /nfs/dbraw/zinc/11/81/77/569118177.db2.gz MZAZPLAPIIDOMO-UHFFFAOYSA-N 0 0 429.883 3.765 50 0 IHAARN CN1c2ncccc2Oc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=O ZINC000065241531 569118698 /nfs/dbraw/zinc/11/86/98/569118698.db2.gz ZEBQHZFRPIHSEN-UHFFFAOYSA-N 0 0 429.885 3.596 50 0 IHAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)NCCc3cccs3)cc2C1=O ZINC000065241628 569118885 /nfs/dbraw/zinc/11/88/85/569118885.db2.gz SUCGWBJSOQUFIC-UHFFFAOYSA-N 0 0 443.550 3.827 50 0 IHAARN Cc1oc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)nc1C(=O)N1CCSCC1 ZINC000065232293 569119015 /nfs/dbraw/zinc/11/90/15/569119015.db2.gz LZXHSSHEYHFQKW-UHFFFAOYSA-N 0 0 439.990 3.907 50 0 IHAARN COc1cc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccc(C)cc3)s2)cc(OC)c1 ZINC000065233009 569119078 /nfs/dbraw/zinc/11/90/78/569119078.db2.gz KQPLUBBUIUPKND-UHFFFAOYSA-N 0 0 439.537 3.888 50 0 IHAARN C=C1C(N2CCCN(C(=O)[C@@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239516 569120637 /nfs/dbraw/zinc/12/06/37/569120637.db2.gz QODBKAQEIYLWHH-KRWDZBQOSA-N 0 0 431.602 3.692 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nc2)sc1C ZINC000065240821 569120900 /nfs/dbraw/zinc/12/09/00/569120900.db2.gz NVFKMEMNWOHIKK-UHFFFAOYSA-N 0 0 426.517 3.689 50 0 IHAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000036589860 569121126 /nfs/dbraw/zinc/12/11/26/569121126.db2.gz ZUCJBLACTHVRBP-WBVHZDCISA-N 0 0 425.316 3.571 50 0 IHAARN O=C(NCc1cccc(Br)c1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 ZINC000065245952 569121852 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3.543 50 0 IHAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(Cl)cc21 ZINC000524734408 569127774 /nfs/dbraw/zinc/12/77/74/569127774.db2.gz BYRDUEGDMVHKTE-XZOYJPPVSA-N 0 0 437.927 3.911 50 0 IHAARN C=C1C(N2CCC(NC(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271825 569128587 /nfs/dbraw/zinc/12/85/87/569128587.db2.gz SIZOUQWOIIXPPL-UHFFFAOYSA-N 0 0 446.617 3.586 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272945 569129272 /nfs/dbraw/zinc/12/92/72/569129272.db2.gz ASGNJXFQADAWAU-KRWDZBQOSA-N 0 0 439.581 3.564 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)cc2C)CC3)CC1 ZINC000065273475 569129588 /nfs/dbraw/zinc/12/95/88/569129588.db2.gz YFKTZEORUAULTR-HNNXBMFYSA-N 0 0 447.004 3.907 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(C)c2C)CC3)CC1 ZINC000065273491 569129598 /nfs/dbraw/zinc/12/95/98/569129598.db2.gz YCKFYSDVMKILFY-KRWDZBQOSA-N 0 0 426.586 3.562 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC3)CC1 ZINC000065273502 569129642 /nfs/dbraw/zinc/12/96/42/569129642.db2.gz SZIMFKMWMHGYID-OAHLLOKOSA-N 0 0 447.004 3.907 50 0 IHAARN O=C(NC1CCCCCC1)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273714 569129977 /nfs/dbraw/zinc/12/99/77/569129977.db2.gz ZCITXXMHRMIBMH-GOSISDBHSA-N 0 0 444.645 3.536 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(C)cc4)nc32)cc1 ZINC000065293918 569130982 /nfs/dbraw/zinc/13/09/82/569130982.db2.gz YAHGFYZSZGDQCB-UHFFFAOYSA-N 0 0 435.553 3.860 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccn4c(c3)nnc4-c3ccc(F)cc3)CC2)c1 ZINC000065296214 569131613 /nfs/dbraw/zinc/13/16/13/569131613.db2.gz WUUKMYOSYNOMML-UHFFFAOYSA-N 0 0 431.471 3.506 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)sc12 ZINC000065297244 569131691 /nfs/dbraw/zinc/13/16/91/569131691.db2.gz OPXYFHIDHRCPFI-SFHVURJKSA-N 0 0 447.564 3.907 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N3CCN(C(=O)COc4ccccc4)CC3)sc12 ZINC000065297231 569131710 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569147303 /nfs/dbraw/zinc/14/73/03/569147303.db2.gz CTZLXKLJHGPFBC-UHFFFAOYSA-N 0 0 425.913 3.510 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000170620394 569147860 /nfs/dbraw/zinc/14/78/60/569147860.db2.gz NTMIBTAVLSRJBS-LJQANCHMSA-N 0 0 437.443 3.877 50 0 IHAARN O=C(COc1ccc(Oc2ccccn2)cc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000170620820 569147891 /nfs/dbraw/zinc/14/78/91/569147891.db2.gz DIQHHHFRHPDVFF-UHFFFAOYSA-N 0 0 449.482 3.813 50 0 IHAARN O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000170623600 569148238 /nfs/dbraw/zinc/14/82/38/569148238.db2.gz NBNCPOWRISKYSW-UHFFFAOYSA-N 0 0 438.330 3.597 50 0 IHAARN COC(=O)Cc1csc(N(C)C(=O)c2cc3c(cc(Br)cc3F)[nH]2)n1 ZINC000170626994 569148712 /nfs/dbraw/zinc/14/87/12/569148712.db2.gz JCELASSHCIRMKH-UHFFFAOYSA-N 0 0 426.267 3.518 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCc2sccc2C1 ZINC000009758897 569149017 /nfs/dbraw/zinc/14/90/17/569149017.db2.gz ZYJUXPYCCIJFED-UHFFFAOYSA-N 0 0 434.974 3.786 50 0 IHAARN C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000009909009 569150613 /nfs/dbraw/zinc/15/06/13/569150613.db2.gz GKIBSBHYHPJFJR-ZETCQYMHSA-N 0 0 447.295 3.575 50 0 IHAARN O=C(NCCn1ccc2ccccc21)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000071287762 569150880 /nfs/dbraw/zinc/15/08/80/569150880.db2.gz YIEPMPCQLYEVMP-UHFFFAOYSA-N 0 0 431.945 3.655 50 0 IHAARN CC(C)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009956075 569151302 /nfs/dbraw/zinc/15/13/02/569151302.db2.gz KHCSRURUWZFVKM-UHFFFAOYSA-N 0 0 448.567 3.674 50 0 IHAARN COCCn1c(=O)c2ccccc2nc1SCc1cc2c(cc1Br)OCO2 ZINC000010023517 569151361 /nfs/dbraw/zinc/15/13/61/569151361.db2.gz JKZKKIWQXLSCEQ-UHFFFAOYSA-N 0 0 449.326 3.826 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2ncccn2)cc1=O ZINC000010254907 569153865 /nfs/dbraw/zinc/15/38/65/569153865.db2.gz HHOKFLQSBQOKIZ-UHFFFAOYSA-N 0 0 430.917 3.540 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 ZINC000010499956 569154775 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IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCc2sccc2C1 ZINC000014305741 569158485 /nfs/dbraw/zinc/15/84/85/569158485.db2.gz LJMZVJCVPALULG-UHFFFAOYSA-N 0 0 448.573 3.578 50 0 IHAARN Cc1ccc2c(COC(=O)C3(S(=O)(=O)c4ccccc4)CCCC3)cc(=O)oc2c1 ZINC000014365593 569158801 /nfs/dbraw/zinc/15/88/01/569158801.db2.gz FUOGAMQZTGIYDK-UHFFFAOYSA-N 0 0 426.490 3.931 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1OC ZINC000016838840 569162859 /nfs/dbraw/zinc/16/28/59/569162859.db2.gz CHPKMCYHWPABRK-UHFFFAOYSA-N 0 0 440.525 3.562 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000016843475 569163743 /nfs/dbraw/zinc/16/37/43/569163743.db2.gz LRADEAHJFAZKJC-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000016850438 569164757 /nfs/dbraw/zinc/16/47/57/569164757.db2.gz KFAYERWJLZNEQK-UHFFFAOYSA-N 0 0 431.539 3.788 50 0 IHAARN O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000089825882 569165252 /nfs/dbraw/zinc/16/52/52/569165252.db2.gz QEWWRNBSOQRIQG-HSZRJFAPSA-N 0 0 436.533 3.889 50 0 IHAARN O=S(=O)(NCc1cc(-c2ccccc2)no1)c1cc(Br)cnc1Cl ZINC000089851139 569166197 /nfs/dbraw/zinc/16/61/97/569166197.db2.gz FUUPPWFQOAMKQX-UHFFFAOYSA-N 0 0 428.695 3.631 50 0 IHAARN C[C@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089904858 569167074 /nfs/dbraw/zinc/16/70/74/569167074.db2.gz CRAIOAJOSMEPBD-FQEVSTJZSA-N 0 0 436.577 3.970 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)CC1 ZINC000089929993 569167973 /nfs/dbraw/zinc/16/79/73/569167973.db2.gz ODBNDFMFJDLMMK-UHFFFAOYSA-N 0 0 435.929 3.800 50 0 IHAARN CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000089936781 569168273 /nfs/dbraw/zinc/16/82/73/569168273.db2.gz FEWQGEUZGBVJLL-CALCHBBNSA-N 0 0 431.540 3.765 50 0 IHAARN CC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccccc1 ZINC000089947867 569168563 /nfs/dbraw/zinc/16/85/63/569168563.db2.gz IETCMJLRSHRBQN-UOBPLZBXSA-N 0 0 438.505 3.762 50 0 IHAARN CCc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C ZINC000014709856 569168637 /nfs/dbraw/zinc/16/86/37/569168637.db2.gz KXPLKRQSVOLJLR-UHFFFAOYSA-N 0 0 442.585 3.738 50 0 IHAARN COc1ccccc1C1(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000016975880 569168796 /nfs/dbraw/zinc/16/87/96/569168796.db2.gz OISJPCXUHRJZLP-UHFFFAOYSA-N 0 0 436.430 3.517 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000016992118 569169701 /nfs/dbraw/zinc/16/97/01/569169701.db2.gz RBTNXWLXXDLWDI-UHFFFAOYSA-N 0 0 431.464 3.703 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cc(C)cc(C)c1)[nH]c2=O ZINC000017010609 569170325 /nfs/dbraw/zinc/17/03/25/569170325.db2.gz ICVABYZLMNELKE-UHFFFAOYSA-N 0 0 435.509 3.877 50 0 IHAARN Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042493 569171598 /nfs/dbraw/zinc/17/15/98/569171598.db2.gz IRIHGQLVSRPICU-UHFFFAOYSA-N 0 0 429.528 3.612 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 ZINC000017056855 569171987 /nfs/dbraw/zinc/17/19/87/569171987.db2.gz LTPSFSITJKQBID-LOSJGSFVSA-N 0 0 427.548 3.684 50 0 IHAARN COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c3ccccc3[nH]c2c1=O ZINC000017135637 569174416 /nfs/dbraw/zinc/17/44/16/569174416.db2.gz QCAUTUBEKRWUEN-UHFFFAOYSA-N 0 0 436.537 3.872 50 0 IHAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2)cc1 ZINC000008958955 569174610 /nfs/dbraw/zinc/17/46/10/569174610.db2.gz BJMVJFPJQACIOG-DEOSSOPVSA-N 0 0 432.476 3.532 50 0 IHAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000017149976 569174841 /nfs/dbraw/zinc/17/48/41/569174841.db2.gz UVYSFGZYQLXMHK-UHFFFAOYSA-N 0 0 447.992 3.752 50 0 IHAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2OC)C1=O ZINC000002100648 569179637 /nfs/dbraw/zinc/17/96/37/569179637.db2.gz KOFQMJHFDMHQST-VNOPPTIDSA-N 0 0 447.535 3.669 50 0 biogenic IHAARN CSc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000002533577 569180866 /nfs/dbraw/zinc/18/08/66/569180866.db2.gz HUFRHXDBCMWFQU-XNTDXEJSSA-N 0 0 430.352 3.850 50 0 IHAARN Cc1nc(CSc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 ZINC000027157479 569182001 /nfs/dbraw/zinc/18/20/01/569182001.db2.gz LFMDAVIMTDRZQS-UHFFFAOYSA-N 0 0 427.551 3.935 50 0 IHAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 ZINC000002115922 569182484 /nfs/dbraw/zinc/18/24/84/569182484.db2.gz WKXAEZOMOOQBKK-DHLKQENFSA-N 0 0 425.488 3.954 50 0 biogenic IHAARN CCCN1CC(=O)N2[C@H](c3ccc(OCC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002119944 569182859 /nfs/dbraw/zinc/18/28/59/569182859.db2.gz SOZPWJVLFFYVJS-NBGIEHNGSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN COc1ccc(Br)c(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1 ZINC000207997239 569183781 /nfs/dbraw/zinc/18/37/81/569183781.db2.gz HERGWUWIXVCVAU-HNNXBMFYSA-N 0 0 444.285 3.747 50 0 IHAARN COc1ccc(N=c2scc(CN3CCN(C(C)=O)CC3)n2Cc2ccccc2)cc1 ZINC000252452900 569184155 /nfs/dbraw/zinc/18/41/55/569184155.db2.gz LXOKHJNLQUMQKB-UHFFFAOYSA-N 0 0 436.581 3.503 50 0 IHAARN C[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252452992 569184181 /nfs/dbraw/zinc/18/41/81/569184181.db2.gz UPNLMSNJAIQOAC-UKTJJGFNSA-N 0 0 440.543 3.740 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000252484074 569186460 /nfs/dbraw/zinc/18/64/60/569186460.db2.gz FNLYWTHYKONOMT-DEOSSOPVSA-N 0 0 439.556 3.668 50 0 IHAARN O=C(COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)Nc1cccc2c1N=S=N2 ZINC000252486069 569186559 /nfs/dbraw/zinc/18/65/59/569186559.db2.gz DNUJLPZOFKUAPJ-XKQJLSEDSA-N 0 0 438.513 3.522 50 0 IHAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002148084 569187096 /nfs/dbraw/zinc/18/70/96/569187096.db2.gz PLHOCGMSICYSQF-HXUWFJFHSA-N 0 0 443.521 3.853 50 0 biogenic IHAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002149714 569187218 /nfs/dbraw/zinc/18/72/18/569187218.db2.gz VXCWXUXNEJNGGD-SFHVURJKSA-N 0 0 443.521 3.771 50 0 biogenic IHAARN COc1ccc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC(F)F ZINC000252492593 569187693 /nfs/dbraw/zinc/18/76/93/569187693.db2.gz MQCUOCDAXAOLDL-UHFFFAOYSA-N 0 0 426.460 3.912 50 0 IHAARN CCc1ccc(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000252499607 569188099 /nfs/dbraw/zinc/18/80/99/569188099.db2.gz SCSFYNABGWSQNG-BJKOFHAPSA-N 0 0 427.614 3.661 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000524731729 569188609 /nfs/dbraw/zinc/18/86/09/569188609.db2.gz IUXQSWMKUUMTKR-UHFFFAOYSA-N 0 0 428.286 3.927 50 0 biogenic IHAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000252517475 569189334 /nfs/dbraw/zinc/18/93/34/569189334.db2.gz JLTFFELJKDPHEW-LIXBPZJASA-N 0 0 439.343 3.961 50 0 IHAARN O=C(OCc1cc2c(cc1Br)OCCO2)c1cccc(N2CCOC2=O)c1 ZINC000170649689 569189489 /nfs/dbraw/zinc/18/94/89/569189489.db2.gz HCDCWZAALILXME-UHFFFAOYSA-N 0 0 434.242 3.534 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000002192081 569190643 /nfs/dbraw/zinc/19/06/43/569190643.db2.gz HXVMTVKDXDOWHQ-MRXNPFEDSA-N 0 0 436.308 3.859 50 0 IHAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000252571093 569191074 /nfs/dbraw/zinc/19/10/74/569191074.db2.gz XQKMCAGIFSWYGD-OAHLLOKOSA-N 0 0 441.900 3.512 50 0 IHAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000037384814 569192244 /nfs/dbraw/zinc/19/22/44/569192244.db2.gz GNJLKYSBFPUEBX-UHFFFAOYSA-N 0 0 434.452 3.813 50 0 IHAARN CCC[C@H](C(=O)NN1CCOCC1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037398128 569193631 /nfs/dbraw/zinc/19/36/31/569193631.db2.gz LBOWWZLKWQORBQ-OAQYLSRUSA-N 0 0 426.948 3.985 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)NC(C)C)C(C)C)c2)cc1 ZINC000037400079 569194798 /nfs/dbraw/zinc/19/47/98/569194798.db2.gz VVCDAUDIZBKTAY-UHFFFAOYSA-N 0 0 447.557 3.741 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)c1 ZINC000037400075 569194822 /nfs/dbraw/zinc/19/48/22/569194822.db2.gz NXOIXSXNLNVXGY-GOSISDBHSA-N 0 0 437.945 3.890 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN(C)CCOc3ccc(Br)cc3)n2)cc1 ZINC000037406125 569195194 /nfs/dbraw/zinc/19/51/94/569195194.db2.gz MGXAYQAYKYABFJ-UHFFFAOYSA-N 0 0 443.349 3.779 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C(C)=O)C(C)C)cc1 ZINC000037423685 569195485 /nfs/dbraw/zinc/19/54/85/569195485.db2.gz FTBMFEHVGWDSKW-UHFFFAOYSA-N 0 0 438.933 3.823 50 0 IHAARN COCC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000037441541 569196876 /nfs/dbraw/zinc/19/68/76/569196876.db2.gz XGOFLCIBYVGJCH-GOSISDBHSA-N 0 0 432.904 3.525 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037444127 569197192 /nfs/dbraw/zinc/19/71/92/569197192.db2.gz UOPPZXUWLPJHKH-PLGVSFSBSA-N 0 0 440.588 3.618 50 0 IHAARN CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000037525515 569198832 /nfs/dbraw/zinc/19/88/32/569198832.db2.gz BUWVDKVZFOCDKI-UHFFFAOYSA-N 0 0 429.948 3.596 50 0 IHAARN CC(C)CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037525693 569199213 /nfs/dbraw/zinc/19/92/13/569199213.db2.gz ICXOMLIGTCDRJF-UHFFFAOYSA-N 0 0 447.576 3.549 50 0 IHAARN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037587976 569202073 /nfs/dbraw/zinc/20/20/73/569202073.db2.gz RPKJZAQKNJRKFL-UHFFFAOYSA-N 0 0 434.483 3.626 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(=Nc3ccc(F)cc3)n2CCO)cc1 ZINC000252623478 569202181 /nfs/dbraw/zinc/20/21/81/569202181.db2.gz OSOBTALZIIJTDW-UHFFFAOYSA-N 0 0 449.573 3.611 50 0 IHAARN CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCc3cccc(F)c3)co2)CC1 ZINC000037600298 569202281 /nfs/dbraw/zinc/20/22/81/569202281.db2.gz JICCVKAUIWTVTP-UHFFFAOYSA-N 0 0 435.499 3.867 50 0 IHAARN O=C(NCc1ccccc1)C1=NO[C@@H](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000066088375 569205630 /nfs/dbraw/zinc/20/56/30/569205630.db2.gz NJOGRRQCSBJQRG-MRXNPFEDSA-N 0 0 441.285 3.503 50 0 IHAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000007848703 569205767 /nfs/dbraw/zinc/20/57/67/569205767.db2.gz UGYYVTFLJYJRSL-SFHVURJKSA-N 0 0 426.948 3.933 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252668805 569209834 /nfs/dbraw/zinc/20/98/34/569209834.db2.gz FQKKRMLEYKXHRJ-JOCHJYFZSA-N 0 0 446.572 3.706 50 0 IHAARN CS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 ZINC000252676233 569210372 /nfs/dbraw/zinc/21/03/72/569210372.db2.gz WLCYLHFBMBHPAQ-VQTJNVASSA-N 0 0 433.595 3.583 50 0 IHAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002249946 569214889 /nfs/dbraw/zinc/21/48/89/569214889.db2.gz MJDPHXYKKGQWQA-IBGZPJMESA-N 0 0 436.895 3.726 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCCC2)c1=O ZINC000009616746 569215915 /nfs/dbraw/zinc/21/59/15/569215915.db2.gz QBTDIEXJDVEHIW-UHFFFAOYSA-N 0 0 433.552 3.749 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000253394482 569264402 /nfs/dbraw/zinc/26/44/02/569264402.db2.gz ACYAPTBUROUIIL-WKRCXCSHSA-N 0 0 430.549 3.526 50 0 biogenic IHAARN CCOC(=O)[C@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1C2CC3CC(C2)CC1C3 ZINC000253429211 569267630 /nfs/dbraw/zinc/26/76/30/569267630.db2.gz QUSQJAIHCDJUOM-SSVBFXJFSA-N 0 0 446.632 3.639 50 0 IHAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000027566191 569272882 /nfs/dbraw/zinc/27/28/82/569272882.db2.gz BLMPZWMRFNDEIA-HNNXBMFYSA-N 0 0 429.885 3.850 50 0 IHAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)cc4OC)c(=O)n3n2)cc1 ZINC000002335670 569274785 /nfs/dbraw/zinc/27/47/85/569274785.db2.gz JOEHLUBSYUWTBE-MOSHPQCFSA-N 0 0 437.521 3.562 50 0 IHAARN COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc21 ZINC000205767583 569287778 /nfs/dbraw/zinc/28/77/78/569287778.db2.gz PFPSFENQCNMITC-MRXNPFEDSA-N 0 0 437.540 3.873 50 0 in-vitro IHAARN COc1ccc(NC(=O)COc2cc3oc(=O)c(C[C@@H](C)O)c(C)c3cc2Cl)cc1 ZINC000002373400 569289229 /nfs/dbraw/zinc/28/92/29/569289229.db2.gz UULGQYGSLFXUDO-GFCCVEGCSA-N 0 0 431.872 3.704 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)/C(=C/c1ccccc1)n1nnnc1C ZINC000009464503 569296632 /nfs/dbraw/zinc/29/66/32/569296632.db2.gz OYKUSVDVZZRXAR-UYRXBGFRSA-N 0 0 432.436 3.646 50 0 IHAARN COCCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002427545 569302601 /nfs/dbraw/zinc/30/26/01/569302601.db2.gz IVMVDZYXMRSVOW-UHFFFAOYSA-N 0 0 430.917 3.689 50 0 IHAARN COCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002441603 569304150 /nfs/dbraw/zinc/30/41/50/569304150.db2.gz UACBERDWIUBHPY-QGZVFWFLSA-N 0 0 431.540 3.954 50 0 IHAARN CC1(C)c2ccccc2N2CC(=O)N(CC(=O)Nc3ccc(Br)cc3)[C@@]21C ZINC000002440908 569304162 /nfs/dbraw/zinc/30/41/62/569304162.db2.gz PWXGFGMQBAEHLJ-OAQYLSRUSA-N 0 0 428.330 3.744 50 0 IHAARN COc1cc2c(cc1OC)-c1cc(Nc3ccc(Br)cc3)nc(=O)n1CC2 ZINC000002449142 569304721 /nfs/dbraw/zinc/30/47/21/569304721.db2.gz KTFTVRCEBOSNJP-UHFFFAOYSA-N 0 0 428.286 3.990 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c3=O)cc1 ZINC000013002440 569306202 /nfs/dbraw/zinc/30/62/02/569306202.db2.gz GMAVLZIJYBUJRQ-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN CC(=O)c1cccc(OC[C@H](O)Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)c1 ZINC000013009003 569306637 /nfs/dbraw/zinc/30/66/37/569306637.db2.gz JFENBYSQZDOBFI-GOSISDBHSA-N 0 0 438.480 3.907 50 0 IHAARN COC(=O)c1ccccc1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013027567 569307339 /nfs/dbraw/zinc/30/73/39/569307339.db2.gz MYJWOXOZEYHZNB-MQVJKMGUSA-N 0 0 449.594 3.958 50 0 IHAARN CCOC(=O)CN(C(=O)COC(=O)c1ccc(OCC(C)C)cc1)c1ccc(F)cc1 ZINC000013072376 569308991 /nfs/dbraw/zinc/30/89/91/569308991.db2.gz FFARIBAJGBGZCU-UHFFFAOYSA-N 0 0 431.460 3.614 50 0 IHAARN CCc1ccc(-c2noc(CSc3nnc(COc4ccccc4F)n3N)n2)cc1 ZINC000013113395 569310580 /nfs/dbraw/zinc/31/05/80/569310580.db2.gz GQIUEFRFLPBWLY-UHFFFAOYSA-N 0 0 426.477 3.615 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013149521 569312285 /nfs/dbraw/zinc/31/22/85/569312285.db2.gz GTROAJIZEAIHOU-CQSZACIVSA-N 0 0 447.413 3.687 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCc1ccccc1C ZINC000013163836 569312381 /nfs/dbraw/zinc/31/23/81/569312381.db2.gz VQXCWVMKDPVCHI-UHFFFAOYSA-N 0 0 430.570 3.541 50 0 IHAARN CC(C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000013351696 569313367 /nfs/dbraw/zinc/31/33/67/569313367.db2.gz YMDIOZAKJIZWAQ-UHFFFAOYSA-N 0 0 427.932 3.969 50 0 IHAARN OC[C@H](O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000078739186 569318858 /nfs/dbraw/zinc/31/88/58/569318858.db2.gz UHZPZPSAZGRFAC-HNNXBMFYSA-N 0 0 444.607 3.674 50 0 IHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000078879496 569319957 /nfs/dbraw/zinc/31/99/57/569319957.db2.gz HPMBFDPHFLZFPM-JKSUJKDBSA-N 0 0 442.990 3.722 50 0 IHAARN CCCc1cc(=O)oc2cc(O[C@H]3CCN(c4sccc4C(=O)OC)C3=O)ccc12 ZINC000078950656 569320429 /nfs/dbraw/zinc/32/04/29/569320429.db2.gz CAPBUTDBLFOLMW-KRWDZBQOSA-N 0 0 427.478 3.778 50 0 IHAARN CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 ZINC000079002897 569321860 /nfs/dbraw/zinc/32/18/60/569321860.db2.gz XDOCGWDDZFHZBH-UHFFFAOYSA-N 0 0 425.348 3.823 50 0 IHAARN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000079000396 569321872 /nfs/dbraw/zinc/32/18/72/569321872.db2.gz IANDTTUWSAUYHE-KRWDZBQOSA-N 0 0 446.429 3.538 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000079056724 569323811 /nfs/dbraw/zinc/32/38/11/569323811.db2.gz URNIHNSOAVPIAN-KRWDZBQOSA-N 0 0 435.565 3.669 50 0 IHAARN COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000019671321 569325753 /nfs/dbraw/zinc/32/57/53/569325753.db2.gz ZLOYMIPWIQCMSA-IBGZPJMESA-N 0 0 425.573 3.972 50 0 IHAARN CCC[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000079106873 569325937 /nfs/dbraw/zinc/32/59/37/569325937.db2.gz CWTYBWFALWEASO-SFHVURJKSA-N 0 0 445.585 3.506 50 0 IHAARN O=S1(=O)CC[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 ZINC000079109253 569326007 /nfs/dbraw/zinc/32/60/07/569326007.db2.gz SDASRWFORFLNDJ-QGZVFWFLSA-N 0 0 425.901 3.800 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)c1 ZINC000019796671 569329545 /nfs/dbraw/zinc/32/95/45/569329545.db2.gz ZDWLCPSDKXPJLQ-LBPRGKRZSA-N 0 0 439.493 3.823 50 0 IHAARN C[C@H](c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000019817028 569329974 /nfs/dbraw/zinc/32/99/74/569329974.db2.gz HMNCIPXJIYDWKA-QGZVFWFLSA-N 0 0 439.471 3.557 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2CC)CC1 ZINC000019830625 569330236 /nfs/dbraw/zinc/33/02/36/569330236.db2.gz DUZRRMYHDUKVNC-UHFFFAOYSA-N 0 0 435.528 3.583 50 0 IHAARN COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079483347 569331020 /nfs/dbraw/zinc/33/10/20/569331020.db2.gz GEFLJGWIINQKOG-JOCHJYFZSA-N 0 0 426.557 3.941 50 0 IHAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccccc3Cl)(C(F)(F)F)C2=O)cc1C ZINC000020069613 569333262 /nfs/dbraw/zinc/33/32/62/569333262.db2.gz PHGXMRPNVPSLHH-SFHVURJKSA-N 0 0 425.794 3.906 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020154274 569353518 /nfs/dbraw/zinc/35/35/18/569353518.db2.gz GSBCLAOYWZBFQU-CYBMUJFWSA-N 0 0 438.518 3.806 50 0 IHAARN CCOc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)cc1OCC ZINC000390827368 569353968 /nfs/dbraw/zinc/35/39/68/569353968.db2.gz XESQUFMIGLTMJW-NRFANRHFSA-N 0 0 435.517 3.625 50 0 IHAARN COc1cc2nc(SCC(=O)Nc3c(C)cccc3C)n3nc(C)nc3c2cc1OC ZINC000020216210 569356701 /nfs/dbraw/zinc/35/67/01/569356701.db2.gz LPVGADMJCDCINI-UHFFFAOYSA-N 0 0 437.525 3.951 50 0 IHAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCC(C(=O)NC3CC3)CC2)cc1OC ZINC000020279855 569358603 /nfs/dbraw/zinc/35/86/03/569358603.db2.gz YOAZBYUYYLLAKS-UHFFFAOYSA-N 0 0 449.555 3.525 50 0 IHAARN C[C@@H]1Sc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2NC1=O ZINC000095377605 569363116 /nfs/dbraw/zinc/36/31/16/569363116.db2.gz ZOIFIFGKFYRVPV-JTQLQIEISA-N 0 0 449.326 3.583 50 0 IHAARN COc1ccc(-n2ccc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000095393869 569363521 /nfs/dbraw/zinc/36/35/21/569363521.db2.gz VKKNHQYVQHYCQE-IAGOWNOFSA-N 0 0 428.533 3.646 50 0 IHAARN CCn1cc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)ccc1=O ZINC000095405969 569364664 /nfs/dbraw/zinc/36/46/64/569364664.db2.gz TXZOFLGFEJGOCT-FQEVSTJZSA-N 0 0 427.545 3.745 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417342 569364950 /nfs/dbraw/zinc/36/49/50/569364950.db2.gz RZELOPFPLAYMIG-QGZVFWFLSA-N 0 0 446.526 3.922 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417533 569365020 /nfs/dbraw/zinc/36/50/20/569365020.db2.gz GFDOQKCMSYVIES-WJONJSRFSA-N 0 0 438.547 3.943 50 0 IHAARN O=C(Nc1cccnc1-c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000095438329 569366600 /nfs/dbraw/zinc/36/66/00/569366600.db2.gz AJEKIOLGODQRKS-UHFFFAOYSA-N 0 0 439.512 3.927 50 0 IHAARN O=C(NCc1ccc(F)cc1)C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000095444164 569367052 /nfs/dbraw/zinc/36/70/52/569367052.db2.gz NGJDRXJBYCIDMT-UHFFFAOYSA-N 0 0 442.535 3.924 50 0 IHAARN Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000095452729 569368026 /nfs/dbraw/zinc/36/80/26/569368026.db2.gz BZEVBUNFRZVASC-ZDSZSBLGSA-N 0 0 428.621 3.604 50 0 IHAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)c1 ZINC000095457980 569369050 /nfs/dbraw/zinc/36/90/50/569369050.db2.gz SFDOVMSGUQQGEW-PKOBYXMFSA-N 0 0 426.561 3.879 50 0 IHAARN O=C(COC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)Nc1cccc(F)c1 ZINC000095466469 569370956 /nfs/dbraw/zinc/37/09/56/569370956.db2.gz CWKCBAQGIKGILJ-UHFFFAOYSA-N 0 0 430.435 3.984 50 0 IHAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1O ZINC000095478114 569373376 /nfs/dbraw/zinc/37/33/76/569373376.db2.gz FPCAZYBHXYQYPD-SFHVURJKSA-N 0 0 427.478 3.736 50 0 IHAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000095479447 569373803 /nfs/dbraw/zinc/37/38/03/569373803.db2.gz ZCAFMXLTWSFRQJ-UHFFFAOYSA-N 0 0 438.434 3.531 50 0 IHAARN CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095480279 569373927 /nfs/dbraw/zinc/37/39/27/569373927.db2.gz JUOPBPDHURAODF-JOCHJYFZSA-N 0 0 429.524 3.564 50 0 IHAARN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 ZINC000095943414 569375655 /nfs/dbraw/zinc/37/56/55/569375655.db2.gz PHWMCRHVSSYRAZ-LJQANCHMSA-N 0 0 425.323 3.628 50 0 IHAARN Cn1c2cc(-c3cccc(C(=O)NCCCc4nc5c(s4)CCCC5)c3)cnc2[nH]c1=O ZINC000095945818 569375958 /nfs/dbraw/zinc/37/59/58/569375958.db2.gz GZSFJTXMMZCRGV-UHFFFAOYSA-N 0 0 447.564 3.627 50 0 IHAARN O[C@H](CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21)c1ccco1 ZINC000095949196 569376538 /nfs/dbraw/zinc/37/65/38/569376538.db2.gz URZRNMFQQSJAAI-GOSISDBHSA-N 0 0 436.537 3.929 50 0 IHAARN Cc1nc2ccccc2n1CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000095957804 569376940 /nfs/dbraw/zinc/37/69/40/569376940.db2.gz BTMPBYWHRPDRGB-UHFFFAOYSA-N 0 0 430.302 3.699 50 0 IHAARN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000095957495 569376930 /nfs/dbraw/zinc/37/69/30/569376930.db2.gz XVYDOGJGHFSOTN-SJLPKXTDSA-N 0 0 430.570 3.968 50 0 IHAARN CC(C)n1c(SCCNC(=O)c2cccnc2Oc2ccccc2)nnc1N(C)C ZINC000095971876 569377539 /nfs/dbraw/zinc/37/75/39/569377539.db2.gz FCAUMOVCCLQCBD-UHFFFAOYSA-N 0 0 426.546 3.634 50 0 IHAARN Cc1noc(C)c1[C@@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000095983409 569377876 /nfs/dbraw/zinc/37/78/76/569377876.db2.gz FXOWTIOYKRVNTG-CQSZACIVSA-N 0 0 425.451 3.779 50 0 IHAARN Cc1ccc(NS(=O)(=O)N(C)CC(C)C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000095993762 569378484 /nfs/dbraw/zinc/37/84/84/569378484.db2.gz XWWFOZXGKVLFGH-UHFFFAOYSA-N 0 0 445.994 3.694 50 0 IHAARN COc1cc(C)ccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000095997579 569378867 /nfs/dbraw/zinc/37/88/67/569378867.db2.gz YPPYIYCHOYNYCW-WMLDXEAASA-N 0 0 446.466 3.829 50 0 IHAARN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000096004716 569379325 /nfs/dbraw/zinc/37/93/25/569379325.db2.gz SESBTFKTNFJXEW-UHFFFAOYSA-N 0 0 443.397 3.916 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cc4ccccc4o3)n(C)n2)c1 ZINC000096097271 569381428 /nfs/dbraw/zinc/38/14/28/569381428.db2.gz LPDIFVDNXKTZGR-FQEVSTJZSA-N 0 0 435.480 3.704 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1C ZINC000096103504 569382040 /nfs/dbraw/zinc/38/20/40/569382040.db2.gz AMVMKCOCVQYXQI-IBGZPJMESA-N 0 0 442.002 3.811 50 0 IHAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104429 569382205 /nfs/dbraw/zinc/38/22/05/569382205.db2.gz YHUZRSQPPRUNOF-UHFFFAOYSA-N 0 0 431.863 3.976 50 0 IHAARN COC1CCN(c2ccc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cc2)CC1 ZINC000096104468 569382270 /nfs/dbraw/zinc/38/22/70/569382270.db2.gz PFTZMNRMVAOVEE-UHFFFAOYSA-N 0 0 430.570 3.665 50 0 IHAARN O=C(c1cccc2[nH]ccc21)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105515 569382442 /nfs/dbraw/zinc/38/24/42/569382442.db2.gz GJNZIYYLVAEYBX-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1coc2ccc(OC)cc2c1=O ZINC000096115733 569383471 /nfs/dbraw/zinc/38/34/71/569383471.db2.gz GVZCIAVPWPHTRP-INIZCTEOSA-N 0 0 434.448 3.516 50 0 biogenic IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117798 569384245 /nfs/dbraw/zinc/38/42/45/569384245.db2.gz HXXFTKCCJGSVND-ACJLOTCBSA-N 0 0 431.514 3.930 50 0 IHAARN COc1cc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n(C)c2cc1OC ZINC000096118284 569384401 /nfs/dbraw/zinc/38/44/01/569384401.db2.gz ZTBKURYMIROZKD-UHFFFAOYSA-N 0 0 428.916 3.973 50 0 IHAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)cc1 ZINC000096118385 569384414 /nfs/dbraw/zinc/38/44/14/569384414.db2.gz YJEGORLDIPXYKP-FQEVSTJZSA-N 0 0 432.528 3.883 50 0 IHAARN O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000096121749 569385154 /nfs/dbraw/zinc/38/51/54/569385154.db2.gz BFOOLDVKMCFXKB-UHFFFAOYSA-N 0 0 436.459 3.820 50 0 IHAARN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124097 569385375 /nfs/dbraw/zinc/38/53/75/569385375.db2.gz GFQPPCVHJNZKGK-IBGZPJMESA-N 0 0 425.496 3.579 50 0 IHAARN O=C(/C=C\c1ccc(Cl)s1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096129688 569385717 /nfs/dbraw/zinc/38/57/17/569385717.db2.gz MPTNDTMUMCFKJL-CLFYSBASSA-N 0 0 432.929 3.835 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)C(C)C)cc1 ZINC000096211349 569386744 /nfs/dbraw/zinc/38/67/44/569386744.db2.gz NHXMGUHUTQPSPV-XDHUDOTRSA-N 0 0 426.557 3.973 50 0 IHAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(OC)c(O)c1 ZINC000096231226 569387418 /nfs/dbraw/zinc/38/74/18/569387418.db2.gz HWNIEKIWLBUOQM-GFCCVEGCSA-N 0 0 436.386 3.533 50 0 IHAARN COc1ccc(CCNC(=O)CN2c3cccnc3Sc3ccccc3C2=O)cc1OC ZINC000096232116 569387755 /nfs/dbraw/zinc/38/77/55/569387755.db2.gz GJUDIQVXRZSDHZ-UHFFFAOYSA-N 0 0 449.532 3.569 50 0 IHAARN CC(=O)c1ccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000096289202 569390672 /nfs/dbraw/zinc/39/06/72/569390672.db2.gz MRGXBARQFMFLDF-UHFFFAOYSA-N 0 0 441.487 3.611 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC[C@@H](Cc3nc4cccnc4n3C(C)C)C2)cc1Cl ZINC000096310552 569392627 /nfs/dbraw/zinc/39/26/27/569392627.db2.gz DXYIVCPCSWFVNP-HNNXBMFYSA-N 0 0 448.976 3.928 50 0 IHAARN Cc1nc(CC(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096316789 569392886 /nfs/dbraw/zinc/39/28/86/569392886.db2.gz FUOURVWZASJRKI-UHFFFAOYSA-N 0 0 427.568 3.953 50 0 IHAARN CC[C@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096316967 569393036 /nfs/dbraw/zinc/39/30/36/569393036.db2.gz HSOQBNCFZRPKIN-SFHVURJKSA-N 0 0 444.645 3.978 50 0 IHAARN CCc1nc(C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000096317618 569393504 /nfs/dbraw/zinc/39/35/04/569393504.db2.gz BDHAWHLBELRGPD-UHFFFAOYSA-N 0 0 425.577 3.577 50 0 IHAARN CC(C)(C)c1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000096322051 569394237 /nfs/dbraw/zinc/39/42/37/569394237.db2.gz FLPBOURQMWIYSP-UHFFFAOYSA-N 0 0 427.526 3.722 50 0 IHAARN O=S(=O)(c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)N1CCCC1 ZINC000096321981 569394313 /nfs/dbraw/zinc/39/43/13/569394313.db2.gz VCALKIHUAIZYCI-UHFFFAOYSA-N 0 0 434.315 3.951 50 0 IHAARN CCOc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1OC ZINC000096322272 569394497 /nfs/dbraw/zinc/39/44/97/569394497.db2.gz NUVOUYVSINQTIR-UHFFFAOYSA-N 0 0 449.492 3.730 50 0 IHAARN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCCc1ccccc1 ZINC000096322322 569394596 /nfs/dbraw/zinc/39/45/96/569394596.db2.gz MIYUBCCSNQHAPR-UHFFFAOYSA-N 0 0 444.926 3.989 50 0 IHAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096323364 569395257 /nfs/dbraw/zinc/39/52/57/569395257.db2.gz PFJRXUBFUODARA-UHFFFAOYSA-N 0 0 446.617 3.525 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c1 ZINC000096323917 569395582 /nfs/dbraw/zinc/39/55/82/569395582.db2.gz CUDLQJSRMUZGKW-UHFFFAOYSA-N 0 0 433.493 3.835 50 0 IHAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccc(Br)o4)no3)[nH]c2c1 ZINC000096349454 569397302 /nfs/dbraw/zinc/39/73/02/569397302.db2.gz WUXDTDXKOKIOFM-UHFFFAOYSA-N 0 0 445.273 3.897 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3c4ccccc4c4cnn(C)c(=O)c43)c2c1 ZINC000096355835 569397369 /nfs/dbraw/zinc/39/73/69/569397369.db2.gz OUYYKVDDDRJKEE-MRXNPFEDSA-N 0 0 427.508 3.598 50 0 IHAARN CCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OCC ZINC000096374080 569398081 /nfs/dbraw/zinc/39/80/81/569398081.db2.gz JSMSEYVXXPGLCS-UHFFFAOYSA-N 0 0 435.517 3.702 50 0 IHAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000096376368 569398182 /nfs/dbraw/zinc/39/81/82/569398182.db2.gz SZQPFCYUUWKVIV-UHFFFAOYSA-N 0 0 438.343 3.536 50 0 IHAARN Cc1oc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1C(=O)N1CCSCC1 ZINC000096397005 569399351 /nfs/dbraw/zinc/39/93/51/569399351.db2.gz JOJVRZVBHQJTDW-UHFFFAOYSA-N 0 0 438.553 3.673 50 0 IHAARN CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000096398270 569399586 /nfs/dbraw/zinc/39/95/86/569399586.db2.gz LXXPZJCKGUSOEI-OAHLLOKOSA-N 0 0 431.989 3.557 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)c(F)c1 ZINC000096399493 569400017 /nfs/dbraw/zinc/40/00/17/569400017.db2.gz XERKUXZUMVDCGF-UHFFFAOYSA-N 0 0 425.532 3.846 50 0 IHAARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000097014167 569402773 /nfs/dbraw/zinc/40/27/73/569402773.db2.gz LIHRSRRRJLQUKY-LBPRGKRZSA-N 0 0 432.427 3.971 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097077560 569403002 /nfs/dbraw/zinc/40/30/02/569403002.db2.gz LHWSCVOGRUPSFI-IBGZPJMESA-N 0 0 434.521 3.816 50 0 IHAARN Cc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097165235 569403353 /nfs/dbraw/zinc/40/33/53/569403353.db2.gz AMHOFFOPAUMLJL-UHFFFAOYSA-N 0 0 436.533 3.842 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCc3cccs3)c3ccccc3C(=O)N1CC2 ZINC000002468459 569403966 /nfs/dbraw/zinc/40/39/66/569403966.db2.gz RVYOXOGKXOQMRN-PKTZIBPZSA-N 0 0 448.544 3.919 50 0 IHAARN Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc4ccccc4n3)CC2)n[nH]c1=O ZINC000225548090 569404134 /nfs/dbraw/zinc/40/41/34/569404134.db2.gz GHZPVDWVXVWYLL-UHFFFAOYSA-N 0 0 427.508 3.512 50 0 IHAARN CCSc1ccccc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 ZINC000225563967 569404501 /nfs/dbraw/zinc/40/45/01/569404501.db2.gz NZDXUZFCOVDGPR-UHFFFAOYSA-N 0 0 440.491 3.834 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccco3)c3cccs3)cc2)co1 ZINC000225591335 569405289 /nfs/dbraw/zinc/40/52/89/569405289.db2.gz SCXOTQLLZIFTJK-HXUWFJFHSA-N 0 0 430.507 3.519 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)c1 ZINC000002493459 569405553 /nfs/dbraw/zinc/40/55/53/569405553.db2.gz UKZKFKYEXRHALO-UHFFFAOYSA-N 0 0 440.502 3.902 50 0 IHAARN CC[C@@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)C(=O)OC ZINC000002496943 569405659 /nfs/dbraw/zinc/40/56/59/569405659.db2.gz VAHBUGFKRYBKNO-CYBMUJFWSA-N 0 0 441.372 3.687 50 0 IHAARN Cc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c1C ZINC000027993145 569405668 /nfs/dbraw/zinc/40/56/68/569405668.db2.gz DDCIXNFPPDLZIR-HXUWFJFHSA-N 0 0 448.592 3.972 50 0 IHAARN CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002496937 569405705 /nfs/dbraw/zinc/40/57/05/569405705.db2.gz HGYHKUNBWJFZPR-SNVBAGLBSA-N 0 0 441.372 3.687 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cccc(Cl)c3)n(C)n2)c1 ZINC000225610247 569405743 /nfs/dbraw/zinc/40/57/43/569405743.db2.gz HNARODIUSQJASG-FQEVSTJZSA-N 0 0 429.904 3.611 50 0 IHAARN COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002501332 569405907 /nfs/dbraw/zinc/40/59/07/569405907.db2.gz IIOIMNAYEYRBAO-KRWDZBQOSA-N 0 0 444.372 3.903 50 0 IHAARN CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 ZINC000002504232 569406252 /nfs/dbraw/zinc/40/62/52/569406252.db2.gz UDNNMKZSAGOAPF-SJORKVTESA-N 0 0 428.282 3.663 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4nc5ccccc5o4)CC3)CC2=O)cc1C ZINC000225680348 569406698 /nfs/dbraw/zinc/40/66/98/569406698.db2.gz YTSUYZIZYFWJJK-SFHVURJKSA-N 0 0 433.508 3.868 50 0 IHAARN COc1ccc2cc(C(=O)NC3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)[nH]c2c1 ZINC000225725622 569407554 /nfs/dbraw/zinc/40/75/54/569407554.db2.gz BMMGUBLIQGWAFG-UHFFFAOYSA-N 0 0 433.434 3.693 50 0 IHAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732842 569407725 /nfs/dbraw/zinc/40/77/25/569407725.db2.gz LNUAJSWEFHJKCM-CQSZACIVSA-N 0 0 446.385 3.513 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000225793905 569408996 /nfs/dbraw/zinc/40/89/96/569408996.db2.gz ALAXNBNAIMNGDI-UHFFFAOYSA-N 0 0 435.355 3.826 50 0 IHAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)cc1 ZINC000002618052 569410362 /nfs/dbraw/zinc/41/03/62/569410362.db2.gz KBTQXSCIENCVIO-UHFFFAOYSA-N 0 0 445.595 3.970 50 0 IHAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 ZINC000002622867 569411247 /nfs/dbraw/zinc/41/12/47/569411247.db2.gz RQOQOYCOTBTOAN-UHFFFAOYSA-N 0 0 432.889 3.636 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000002633844 569412632 /nfs/dbraw/zinc/41/26/32/569412632.db2.gz NYVFRSWIZGZQFH-UHFFFAOYSA-N 0 0 438.427 3.707 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000002634663 569412779 /nfs/dbraw/zinc/41/27/79/569412779.db2.gz XFIUHNGZTSSYHQ-WUKNDPDISA-N 0 0 436.533 3.819 50 0 IHAARN CCOC(=O)NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1CC ZINC000002634887 569412826 /nfs/dbraw/zinc/41/28/26/569412826.db2.gz OAGNCYHQFHHYTB-UHFFFAOYSA-N 0 0 437.572 3.565 50 0 IHAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1nccs1 ZINC000002636205 569413018 /nfs/dbraw/zinc/41/30/18/569413018.db2.gz DPPBECJYFWNWTC-UHFFFAOYSA-N 0 0 438.534 3.641 50 0 IHAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000002642947 569413791 /nfs/dbraw/zinc/41/37/91/569413791.db2.gz ZHZNRKSYQHHMFF-HSZRJFAPSA-N 0 0 448.500 3.857 50 0 IHAARN C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002648973 569414508 /nfs/dbraw/zinc/41/45/08/569414508.db2.gz RNEBXDUHTMRSMS-AWEZNQCLSA-N 0 0 448.504 3.550 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000215754348 569415934 /nfs/dbraw/zinc/41/59/34/569415934.db2.gz DFFXWCRKAUSMKX-IAGOWNOFSA-N 0 0 433.643 3.819 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000002661827 569416174 /nfs/dbraw/zinc/41/61/74/569416174.db2.gz UROPWYVVAQHADJ-UHFFFAOYSA-N 0 0 438.505 3.561 50 0 IHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000002663799 569416358 /nfs/dbraw/zinc/41/63/58/569416358.db2.gz HTENBKLBTFQJGB-UHFFFAOYSA-N 0 0 429.527 3.509 50 0 IHAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000002664906 569416428 /nfs/dbraw/zinc/41/64/28/569416428.db2.gz NEMKCDSBLBETES-UHFFFAOYSA-N 0 0 449.561 3.885 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(F)cc1 ZINC000002690357 569416963 /nfs/dbraw/zinc/41/69/63/569416963.db2.gz OHQBOZPCYDMUDO-UHFFFAOYSA-N 0 0 444.418 3.739 50 0 IHAARN COC(=O)[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000002706328 569417645 /nfs/dbraw/zinc/41/76/45/569417645.db2.gz NLMTVVOSYSSFTF-AWEZNQCLSA-N 0 0 445.570 3.629 50 0 IHAARN CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000230033323 569418163 /nfs/dbraw/zinc/41/81/63/569418163.db2.gz LRHWXLHDLZFPIW-CPJSRVTESA-N 0 0 432.524 3.642 50 0 IHAARN COc1ccc(CC(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1OC ZINC000002724650 569418455 /nfs/dbraw/zinc/41/84/55/569418455.db2.gz CGKUDAZDJWXJAF-VWLOTQADSA-N 0 0 434.467 3.956 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)CC2)c1 ZINC000230048886 569418920 /nfs/dbraw/zinc/41/89/20/569418920.db2.gz DVNQYQOPIQXDOK-PDIWNELESA-N 0 0 428.573 3.983 50 0 IHAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c12 ZINC000002921043 569425379 /nfs/dbraw/zinc/42/53/79/569425379.db2.gz SGNPNHMPXAZFAE-HNNXBMFYSA-N 0 0 438.553 3.586 50 0 IHAARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002921682 569425416 /nfs/dbraw/zinc/42/54/16/569425416.db2.gz XDMHYVVISUUDDK-UHFFFAOYSA-N 0 0 437.452 3.935 50 0 IHAARN Cc1nnc2nc(SCC(=O)NC3CCCCC3)n(-c3cccc(Cl)c3)c(N)c1-2 ZINC000002927373 569425912 /nfs/dbraw/zinc/42/59/12/569425912.db2.gz QPBFDJADQOULCT-UHFFFAOYSA-N 0 0 430.965 3.731 50 0 IHAARN COc1ccccc1CNC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938594 569426530 /nfs/dbraw/zinc/42/65/30/569426530.db2.gz MHYXWGLYQIULGB-GOSISDBHSA-N 0 0 448.928 3.668 50 0 IHAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002940046 569426720 /nfs/dbraw/zinc/42/67/20/569426720.db2.gz ZKAZXAPPJLOLBC-UHFFFAOYSA-N 0 0 434.473 3.668 50 0 IHAARN COc1ccc(C2=N/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)O2)cc1Br ZINC000002945771 569426892 /nfs/dbraw/zinc/42/68/92/569426892.db2.gz OLYZCAQQIZZRCJ-RIYZIHGNSA-N 0 0 448.269 3.828 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000056945635 569428017 /nfs/dbraw/zinc/42/80/17/569428017.db2.gz UDGRRNVKVGSNTO-NRFANRHFSA-N 0 0 429.442 3.990 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000056945365 569428054 /nfs/dbraw/zinc/42/80/54/569428054.db2.gz CGAXCVOIPSEPOL-OAQYLSRUSA-N 0 0 435.524 3.590 50 0 IHAARN CN(C)C(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 ZINC000029231083 569429126 /nfs/dbraw/zinc/42/91/26/569429126.db2.gz BMGSZFUAURIIIV-QHCPKHFHSA-N 0 0 444.487 3.860 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)Cc2cccs2)ccc1Cl ZINC000029236549 569429135 /nfs/dbraw/zinc/42/91/35/569429135.db2.gz JAZYQEFWNPBCLE-UHFFFAOYSA-N 0 0 445.006 3.721 50 0 IHAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000029418167 569430151 /nfs/dbraw/zinc/43/01/51/569430151.db2.gz MROHWGGXHUKHRO-HZPDHXFCSA-N 0 0 443.569 3.737 50 0 IHAARN CCCCn1c(C)c(C)nc1SCC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 ZINC000029627440 569431612 /nfs/dbraw/zinc/43/16/12/569431612.db2.gz IFGFUPRSDJGFSP-SFHVURJKSA-N 0 0 432.546 3.856 50 0 IHAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3)c2=O)cc1 ZINC000002956833 569432358 /nfs/dbraw/zinc/43/23/58/569432358.db2.gz QDRSWXJQIDJRLN-UHFFFAOYSA-N 0 0 447.560 3.835 50 0 IHAARN COc1ccccc1Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000002969990 569433229 /nfs/dbraw/zinc/43/32/29/569433229.db2.gz VRRBEQVZSQWJPP-UHFFFAOYSA-N 0 0 445.544 3.862 50 0 IHAARN CCOc1ccccc1[C@H]1NC(=O)NC(CN2CC=C(c3ccccc3)CC2)=C1C(=O)OC ZINC000057415699 569434175 /nfs/dbraw/zinc/43/41/75/569434175.db2.gz XQTSTYMBKOIACG-XMMPIXPASA-N 0 0 447.535 3.656 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3ccsc3c(=O)n1CC(C)C)CCO2 ZINC000057426261 569434589 /nfs/dbraw/zinc/43/45/89/569434589.db2.gz IBICMULTKUFYLU-UHFFFAOYSA-N 0 0 429.567 3.940 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O ZINC000057426969 569434723 /nfs/dbraw/zinc/43/47/23/569434723.db2.gz FPLLTVJUMTVSSF-LJQANCHMSA-N 0 0 439.581 3.681 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)c1 ZINC000057426899 569434736 /nfs/dbraw/zinc/43/47/36/569434736.db2.gz JTSWHTLIEYFYPV-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000057427127 569434784 /nfs/dbraw/zinc/43/47/84/569434784.db2.gz NCMFDWBNOUWJLX-UHFFFAOYSA-N 0 0 425.432 3.682 50 0 IHAARN CSc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1 ZINC000057427682 569434792 /nfs/dbraw/zinc/43/47/92/569434792.db2.gz VXLWZEJMHJYHBI-UHFFFAOYSA-N 0 0 437.569 3.523 50 0 IHAARN O=C(c1ccco1)N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427855 569434829 /nfs/dbraw/zinc/43/48/29/569434829.db2.gz CGZBMPZVYUEQGE-UHFFFAOYSA-N 0 0 444.491 3.867 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O ZINC000057428792 569434980 /nfs/dbraw/zinc/43/49/80/569434980.db2.gz KWNKIACQRMTBFW-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000029832730 569435029 /nfs/dbraw/zinc/43/50/29/569435029.db2.gz IYRTZLHGSHTXSZ-UHFFFAOYSA-N 0 0 429.398 3.789 50 0 IHAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000057472459 569435610 /nfs/dbraw/zinc/43/56/10/569435610.db2.gz YUVUPICDWBZRLO-UHFFFAOYSA-N 0 0 445.928 3.977 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCc2cccs2)c1=O ZINC000057473279 569435688 /nfs/dbraw/zinc/43/56/88/569435688.db2.gz XSLYUMDJQHVCNF-UHFFFAOYSA-N 0 0 447.560 3.977 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2cccs2)c1=O ZINC000057473229 569435707 /nfs/dbraw/zinc/43/57/07/569435707.db2.gz JFXNJTHMIURUBP-UHFFFAOYSA-N 0 0 433.533 3.669 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)[nH]n2)c(OC)c1 ZINC000057477169 569435818 /nfs/dbraw/zinc/43/58/18/569435818.db2.gz VREWBAIIJYWWCM-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F ZINC000003024161 569436174 /nfs/dbraw/zinc/43/61/74/569436174.db2.gz NQFRXBDVKUFKCM-UHFFFAOYSA-N 0 0 428.460 3.964 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000057486535 569436505 /nfs/dbraw/zinc/43/65/05/569436505.db2.gz WVPKDRWHJKSDAD-QGZVFWFLSA-N 0 0 445.523 3.592 50 0 IHAARN CC(C)c1ccc(-n2ncc3c2ncn(CC(=O)N2CCCc4ccccc42)c3=O)cc1 ZINC000057486501 569436516 /nfs/dbraw/zinc/43/65/16/569436516.db2.gz CQDVBYAPFYIUIJ-UHFFFAOYSA-N 0 0 427.508 3.685 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1C ZINC000057487094 569436583 /nfs/dbraw/zinc/43/65/83/569436583.db2.gz DDUPDFLIIGHION-UHFFFAOYSA-N 0 0 430.464 3.867 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)NC1CCCCC1 ZINC000057487587 569436798 /nfs/dbraw/zinc/43/67/98/569436798.db2.gz OKLPJCCSGYXJSW-UHFFFAOYSA-N 0 0 429.567 3.997 50 0 IHAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000057491498 569437338 /nfs/dbraw/zinc/43/73/38/569437338.db2.gz XPCFNHIEJUDABJ-UHFFFAOYSA-N 0 0 425.897 3.530 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)ccc1F ZINC000057494680 569437724 /nfs/dbraw/zinc/43/77/24/569437724.db2.gz ZEATVARPVLBNSN-UHFFFAOYSA-N 0 0 449.507 3.789 50 0 IHAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccccc1Cl ZINC000057503772 569438163 /nfs/dbraw/zinc/43/81/63/569438163.db2.gz CMQAKFLMWYMDPZ-UHFFFAOYSA-N 0 0 446.854 3.505 50 0 IHAARN O=C(CSc1cc(N2CCSCC2)ncn1)Nc1cccc(Br)c1 ZINC000057505603 569438212 /nfs/dbraw/zinc/43/82/12/569438212.db2.gz CTZAKUGKPJVIJY-UHFFFAOYSA-N 0 0 425.377 3.523 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)nc2N)cc1 ZINC000057510489 569438377 /nfs/dbraw/zinc/43/83/77/569438377.db2.gz HTEHYDPHHMGFGV-UHFFFAOYSA-N 0 0 448.957 3.584 50 0 IHAARN O=C(Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O)NCCc1ccccc1 ZINC000057511305 569438624 /nfs/dbraw/zinc/43/86/24/569438624.db2.gz KZHIKTPBNQHVPD-UHFFFAOYSA-N 0 0 434.883 3.578 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1OC ZINC000003049406 569438940 /nfs/dbraw/zinc/43/89/40/569438940.db2.gz CFEFWADVTAKOIB-VWLOTQADSA-N 0 0 444.531 3.802 50 0 biogenic IHAARN COc1ccccc1N1CCN(Cn2nc([C@H]3COc4ccccc4O3)oc2=S)CC1 ZINC000057733756 569441141 /nfs/dbraw/zinc/44/11/41/569441141.db2.gz KGUJKJRYNOUTAI-HXUWFJFHSA-N 0 0 440.525 3.506 50 0 IHAARN O=C(COc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000003178302 569441304 /nfs/dbraw/zinc/44/13/04/569441304.db2.gz NCFNNTMFAAZIPF-UHFFFAOYSA-N 0 0 447.443 3.515 50 0 IHAARN Cc1c(C(=O)NCCN2CCc3ccccc3C2)cnn1-c1ccc(Br)cc1 ZINC000030317486 569441587 /nfs/dbraw/zinc/44/15/87/569441587.db2.gz DNVZMLPRWCOMPC-UHFFFAOYSA-N 0 0 439.357 3.731 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(F)cc3)nc2c1 ZINC000003229972 569442266 /nfs/dbraw/zinc/44/22/66/569442266.db2.gz GUHDOYDHZGPXIZ-UHFFFAOYSA-N 0 0 437.518 3.728 50 0 IHAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003233084 569442341 /nfs/dbraw/zinc/44/23/41/569442341.db2.gz IZGMMHGSIALJKE-UHFFFAOYSA-N 0 0 425.342 3.932 50 0 IHAARN O=C(OCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003233032 569442349 /nfs/dbraw/zinc/44/23/49/569442349.db2.gz DZWTYZDCKCCVLF-UHFFFAOYSA-N 0 0 444.372 3.655 50 0 IHAARN O=C(COC(=O)c1cnc(Cl)c(Cl)c1)COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000003249343 569442863 /nfs/dbraw/zinc/44/28/63/569442863.db2.gz LKICMYHIDKGMAO-UHFFFAOYSA-N 0 0 438.050 3.673 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000003262954 569443291 /nfs/dbraw/zinc/44/32/91/569443291.db2.gz DZLLEWWUDGQWKI-UHFFFAOYSA-N 0 0 449.846 3.942 50 0 IHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1OC ZINC000003262076 569443326 /nfs/dbraw/zinc/44/33/26/569443326.db2.gz PYSWMRQKRSYJNB-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000003264742 569443336 /nfs/dbraw/zinc/44/33/36/569443336.db2.gz BIOSXMWOIXOYBZ-QHCPKHFHSA-N 0 0 425.550 3.615 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3ncnc4ccccc43)cc2)cc1 ZINC000003267026 569443427 /nfs/dbraw/zinc/44/34/27/569443427.db2.gz WAOAZIGIGLZNSM-UHFFFAOYSA-N 0 0 428.448 3.908 50 0 IHAARN O=C(OCc1csc(-c2ccccc2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000003278918 569443793 /nfs/dbraw/zinc/44/37/93/569443793.db2.gz ZAQYYOCQMDWQII-INIZCTEOSA-N 0 0 436.489 3.678 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C)c2O)sc2c1CC[C@H](C)C2 ZINC000003294641 569444618 /nfs/dbraw/zinc/44/46/18/569444618.db2.gz COQZBBUNJPPEGW-LBPRGKRZSA-N 0 0 431.510 3.859 50 0 IHAARN Cc1csc(N2CCC(C(=O)N3CCN(Cc4ccc(F)cc4Cl)CC3)CC2)n1 ZINC000058014539 569444956 /nfs/dbraw/zinc/44/49/56/569444956.db2.gz IPZNAHZKNQWBPU-UHFFFAOYSA-N 0 0 436.984 3.805 50 0 IHAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl ZINC000003301375 569445026 /nfs/dbraw/zinc/44/50/26/569445026.db2.gz IRUSMDONORUTNX-MRXNPFEDSA-N 0 0 431.279 3.576 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000003304387 569445202 /nfs/dbraw/zinc/44/52/02/569445202.db2.gz JYHCWDYUZKKLIS-UHFFFAOYSA-N 0 0 445.495 3.929 50 0 IHAARN CCNC(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000003328610 569446331 /nfs/dbraw/zinc/44/63/31/569446331.db2.gz TXHJJIBWAUWKTK-UHFFFAOYSA-N 0 0 431.359 3.984 50 0 IHAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000003340990 569446884 /nfs/dbraw/zinc/44/68/84/569446884.db2.gz VGEFDHUVUYIHSL-KRWDZBQOSA-N 0 0 439.471 3.520 50 0 IHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC ZINC000003347488 569447210 /nfs/dbraw/zinc/44/72/10/569447210.db2.gz QPIXQTYCBPYEAN-UHFFFAOYSA-N 0 0 434.492 3.960 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1N ZINC000003351794 569447437 /nfs/dbraw/zinc/44/74/37/569447437.db2.gz RMFUYAQCHNSIJU-UHFFFAOYSA-N 0 0 447.564 3.924 50 0 IHAARN CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000003356837 569447654 /nfs/dbraw/zinc/44/76/54/569447654.db2.gz SIOCSIZTFBYQOE-UHFFFAOYSA-N 0 0 429.933 3.568 50 0 IHAARN C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003357384 569447716 /nfs/dbraw/zinc/44/77/16/569447716.db2.gz SPTXSBRNLOHYBL-NSHDSACASA-N 0 0 432.502 3.947 50 0 IHAARN C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(N)=O ZINC000003365079 569448091 /nfs/dbraw/zinc/44/80/91/569448091.db2.gz CFHAQFFPZGMMJP-ZDUSSCGKSA-N 0 0 431.359 3.916 50 0 IHAARN CC(C)CCNC(=O)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000003376475 569448664 /nfs/dbraw/zinc/44/86/64/569448664.db2.gz NEWPTKNJVATKRU-UHFFFAOYSA-N 0 0 426.391 3.994 50 0 IHAARN CC(C)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)NC(N)=O ZINC000003386461 569449026 /nfs/dbraw/zinc/44/90/26/569449026.db2.gz AKTMZDVWBRIIMP-QGZVFWFLSA-N 0 0 443.960 3.958 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O ZINC000003392120 569449290 /nfs/dbraw/zinc/44/92/90/569449290.db2.gz XNKUFQGHYGLVDU-NRFANRHFSA-N 0 0 434.323 3.509 50 0 IHAARN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000058167607 569449484 /nfs/dbraw/zinc/44/94/84/569449484.db2.gz PZYYAUITYHAUPD-FDMDGMSGSA-N 0 0 429.900 3.962 50 0 IHAARN COC[C@@H](C)NC(=O)CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003403868 569449845 /nfs/dbraw/zinc/44/98/45/569449845.db2.gz GDYVYYOIAPRZHD-LJQANCHMSA-N 0 0 440.565 3.803 50 0 IHAARN Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc(=O)oc2c1C ZINC000003413231 569450141 /nfs/dbraw/zinc/45/01/41/569450141.db2.gz WNIFWQRWKGBBNA-UHFFFAOYSA-N 0 0 441.505 3.551 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)OCc3cc(=O)n4c5ccccc5sc4n3)CC2=O)cc1 ZINC000003413446 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569456802 /nfs/dbraw/zinc/45/68/02/569456802.db2.gz WIASAEGPCQPACW-UHFFFAOYSA-N 0 0 435.596 3.832 50 0 IHAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000031778489 569457369 /nfs/dbraw/zinc/45/73/69/569457369.db2.gz FPFMHFADPUCYMP-SFHVURJKSA-N 0 0 425.287 3.805 50 0 IHAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)Nc5ccccc5)c4=O)c3cc2CO1 ZINC000032069650 569459104 /nfs/dbraw/zinc/45/91/04/569459104.db2.gz JTZDITGUNLTSGR-HSZRJFAPSA-N 0 0 434.521 3.886 50 0 IHAARN COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(OC)cc4OC)ccc3c2=O)c1 ZINC000032070398 569459181 /nfs/dbraw/zinc/45/91/81/569459181.db2.gz AQPAFZKPNAOVGL-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)NCc5ccccc5)c4=O)c3cc2CO1 ZINC000032094450 569459751 /nfs/dbraw/zinc/45/97/51/569459751.db2.gz OFJVYXSIBMSLLW-XMMPIXPASA-N 0 0 448.548 3.564 50 0 IHAARN Cc1c(O)ccc2c(C)c(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(=O)oc12 ZINC000032095040 569459826 /nfs/dbraw/zinc/45/98/26/569459826.db2.gz CRORJMLURDSJGY-UHFFFAOYSA-N 0 0 441.911 3.822 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)c(OC)c1 ZINC000032096873 569459915 /nfs/dbraw/zinc/45/99/15/569459915.db2.gz USDYGBMTVBQKRD-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN Cc1nc(CN2CCN(C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)CC2)cs1 ZINC000032332989 569461318 /nfs/dbraw/zinc/46/13/18/569461318.db2.gz HFJSDODVTRDJLD-UHFFFAOYSA-N 0 0 448.596 3.541 50 0 IHAARN O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCc2ccccc21 ZINC000007978427 569461988 /nfs/dbraw/zinc/46/19/88/569461988.db2.gz PQXNLVGFJCKKSG-UHFFFAOYSA-N 0 0 427.570 3.643 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)[nH]n1 ZINC000066327988 569462084 /nfs/dbraw/zinc/46/20/84/569462084.db2.gz VOTNKFYGTUYDTN-UHFFFAOYSA-N 0 0 429.524 3.535 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC ZINC000008134151 569462322 /nfs/dbraw/zinc/46/23/22/569462322.db2.gz PBUCLVSANXZWJH-KIZRYQFWSA-N 0 0 428.573 3.677 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 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CN(C(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000067291543 569467659 /nfs/dbraw/zinc/46/76/59/569467659.db2.gz GHSMAQWXXQQOPR-UHFFFAOYSA-N 0 0 438.528 3.635 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO ZINC000067300482 569468215 /nfs/dbraw/zinc/46/82/15/569468215.db2.gz WQIVSSIUONYFFL-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000067317072 569468464 /nfs/dbraw/zinc/46/84/64/569468464.db2.gz UBZVHOKTFFCIPU-UHFFFAOYSA-N 0 0 437.447 3.501 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1CC(=O)Nc1ccccc1Br ZINC000067322343 569468694 /nfs/dbraw/zinc/46/86/94/569468694.db2.gz UNXGQXFSJIQUGU-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008587401 569469230 /nfs/dbraw/zinc/46/92/30/569469230.db2.gz VYXUPCTZJXSBLS-UHFFFAOYSA-N 0 0 426.460 3.886 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000008661462 569469862 /nfs/dbraw/zinc/46/98/62/569469862.db2.gz YEMMZBVMRWFBQC-ZEQRLZLVSA-N 0 0 434.536 3.799 50 0 IHAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 ZINC000008704454 569470289 /nfs/dbraw/zinc/47/02/89/569470289.db2.gz YQYDNDUTCLMVCK-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)c1 ZINC000008709600 569470788 /nfs/dbraw/zinc/47/07/88/569470788.db2.gz WDMKIMLTHRQPIW-QFIPXVFZSA-N 0 0 447.626 3.727 50 0 IHAARN COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)cc1 ZINC000008710318 569470868 /nfs/dbraw/zinc/47/08/68/569470868.db2.gz AVRPJCBTPYODLD-HXUWFJFHSA-N 0 0 429.542 3.791 50 0 IHAARN Cc1nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n(C2CCCC2)c1C ZINC000008710083 569470870 /nfs/dbraw/zinc/47/08/70/569470870.db2.gz YOEJYPLFRKDSHE-UHFFFAOYSA-N 0 0 430.530 3.827 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000008710999 569470963 /nfs/dbraw/zinc/47/09/63/569470963.db2.gz XFQOFQYLSMNBPF-QGZVFWFLSA-N 0 0 439.589 3.727 50 0 IHAARN COc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1F ZINC000008718409 569471270 /nfs/dbraw/zinc/47/12/70/569471270.db2.gz CWVCSJUFLWTKOR-UHFFFAOYSA-N 0 0 442.318 3.670 50 0 IHAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000008718714 569471320 /nfs/dbraw/zinc/47/13/20/569471320.db2.gz QFLAOGSFFVGKSQ-JXFKEZNVSA-N 0 0 445.610 3.541 50 0 IHAARN CCCCn1c(COc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000008725178 569472083 /nfs/dbraw/zinc/47/20/83/569472083.db2.gz QQRMYRXPDRMMQG-UHFFFAOYSA-N 0 0 438.915 3.967 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)N(C)Cc3ccc(C)o3)c2=O)cc1 ZINC000008728313 569472417 /nfs/dbraw/zinc/47/24/17/569472417.db2.gz MIJYQIJBLDWFTK-UHFFFAOYSA-N 0 0 431.492 3.887 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CCS[C@H]1c1ccccc1F ZINC000008728053 569472427 /nfs/dbraw/zinc/47/24/27/569472427.db2.gz GUNTWNKDSAJUTO-KRWDZBQOSA-N 0 0 435.937 3.821 50 0 IHAARN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008733806 569472538 /nfs/dbraw/zinc/47/25/38/569472538.db2.gz BBYFJVDUFADBAW-UHFFFAOYSA-N 0 0 447.516 3.642 50 0 IHAARN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000008748348 569473194 /nfs/dbraw/zinc/47/31/94/569473194.db2.gz DTXNGJQSYPZXAY-GOSISDBHSA-N 0 0 426.966 3.719 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc4ccccn43)cc2)cc1 ZINC000008752895 569473636 /nfs/dbraw/zinc/47/36/36/569473636.db2.gz LCRBRMXTGATCRA-UHFFFAOYSA-N 0 0 433.493 3.721 50 0 IHAARN Cc1c(C)c2ccc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2oc1=O ZINC000008765049 569474702 /nfs/dbraw/zinc/47/47/02/569474702.db2.gz HBUSQPFMIBGAKS-UHFFFAOYSA-N 0 0 441.911 3.952 50 0 IHAARN Nc1c(Cl)cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000008770258 569475129 /nfs/dbraw/zinc/47/51/29/569475129.db2.gz ISRJZPCYISJXIS-UHFFFAOYSA-N 0 0 442.368 3.762 50 0 IHAARN CCCCOCCCNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008789935 569475968 /nfs/dbraw/zinc/47/59/68/569475968.db2.gz PSYTVKXXXFABSL-UPVQGACJSA-N 0 0 431.536 3.961 50 0 biogenic IHAARN COc1cccc(CNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)c1 ZINC000008790678 569476103 /nfs/dbraw/zinc/47/61/03/569476103.db2.gz RZAYGALATYLSJC-UKILVPOCSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN O=C(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000008833731 569477884 /nfs/dbraw/zinc/47/78/84/569477884.db2.gz GCVAMKAOCSRPJS-UHFFFAOYSA-N 0 0 438.328 3.959 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000008843639 569478489 /nfs/dbraw/zinc/47/84/89/569478489.db2.gz RJYOPKPJYQFVPA-OAQYLSRUSA-N 0 0 425.485 3.759 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000008846049 569478982 /nfs/dbraw/zinc/47/89/82/569478982.db2.gz OZBZIKMKVYSFEV-JOCHJYFZSA-N 0 0 428.444 3.951 50 0 IHAARN CC(=O)n1cc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)c(-c2ccc(F)cc2)n1 ZINC000008846333 569479103 /nfs/dbraw/zinc/47/91/03/569479103.db2.gz ICKFSSKLAKFBAH-GRSHGNNSSA-N 0 0 432.480 3.736 50 0 IHAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 ZINC000008846704 569479134 /nfs/dbraw/zinc/47/91/34/569479134.db2.gz RZEBBSRQYGSZDU-UHFFFAOYSA-N 0 0 435.509 3.698 50 0 IHAARN Cc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000008849472 569479238 /nfs/dbraw/zinc/47/92/38/569479238.db2.gz CWZJBBJQLNBUBT-UHFFFAOYSA-N 0 0 448.544 3.767 50 0 IHAARN Cc1ccccc1OCc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n[nH]1 ZINC000008850241 569479289 /nfs/dbraw/zinc/47/92/89/569479289.db2.gz QJVIVNFUZIOKQN-OAHLLOKOSA-N 0 0 437.525 3.548 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC)Cc2ccc(Cl)s2)C1=O ZINC000008851830 569479407 /nfs/dbraw/zinc/47/94/07/569479407.db2.gz UPXBCYUPADGWGK-NRFANRHFSA-N 0 0 433.961 3.997 50 0 IHAARN COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)sc2C)cc1 ZINC000008861581 569480031 /nfs/dbraw/zinc/48/00/31/569480031.db2.gz GCOHXTCBLHAOIM-UHFFFAOYSA-N 0 0 443.550 3.702 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000008865239 569480245 /nfs/dbraw/zinc/48/02/45/569480245.db2.gz UIHAVHJYQUXLBH-UHFFFAOYSA-N 0 0 434.473 3.842 50 0 IHAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1ccc2c(c1)OCCO2 ZINC000008879609 569481387 /nfs/dbraw/zinc/48/13/87/569481387.db2.gz DHCIEUSCHKFCEO-UHFFFAOYSA-N 0 0 445.427 3.954 50 0 biogenic IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000008880714 569481510 /nfs/dbraw/zinc/48/15/10/569481510.db2.gz JCWJXDXBMRFURZ-IBGZPJMESA-N 0 0 441.513 3.566 50 0 IHAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(I)cc2)c1 ZINC000039549055 569481732 /nfs/dbraw/zinc/48/17/32/569481732.db2.gz RCPXLRFRLABDLI-UHFFFAOYSA-N 0 0 449.292 3.633 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(NCc3cc(=O)n4nc(CC)sc4n3)cc2)cc1 ZINC000039987716 569482292 /nfs/dbraw/zinc/48/22/92/569482292.db2.gz QGKBQZQHFKXEEQ-UHFFFAOYSA-N 0 0 449.536 3.977 50 0 IHAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000040023416 569482671 /nfs/dbraw/zinc/48/26/71/569482671.db2.gz ZAXKRYWMPVHQMY-UHFFFAOYSA-N 0 0 441.871 3.804 50 0 IHAARN O=C(Cc1cc2c(cc1Br)OCCO2)NCc1ccc(OC(F)(F)F)cc1 ZINC000040024480 569482761 /nfs/dbraw/zinc/48/27/61/569482761.db2.gz YNGOTLQJVNAGHU-UHFFFAOYSA-N 0 0 446.219 3.978 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000040025002 569482815 /nfs/dbraw/zinc/48/28/15/569482815.db2.gz BTBJYRVOIKYQLH-SSOJOUAXSA-N 0 0 433.508 3.747 50 0 IHAARN O=C(OCc1ccc(Br)cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008883320 569483078 /nfs/dbraw/zinc/48/30/78/569483078.db2.gz XXVGGUKVRBUBPD-UHFFFAOYSA-N 0 0 442.306 3.730 50 0 IHAARN CN(C)c1ccc(NC(=O)c2cc(Br)ccc2I)cn1 ZINC000040034434 569483229 /nfs/dbraw/zinc/48/32/29/569483229.db2.gz UZBCNTCMFNMEDR-UHFFFAOYSA-N 0 0 446.086 3.767 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(SC(F)F)cc1 ZINC000040039151 569483339 /nfs/dbraw/zinc/48/33/39/569483339.db2.gz FCIDDIDIWTYKBP-UHFFFAOYSA-N 0 0 449.479 3.917 50 0 IHAARN Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(C3CCCC3)nc2n(C)c1=O ZINC000008895080 569483735 /nfs/dbraw/zinc/48/37/35/569483735.db2.gz XCPMYSVNGBQUKA-UHFFFAOYSA-N 0 0 434.924 3.770 50 0 IHAARN C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000008895726 569483811 /nfs/dbraw/zinc/48/38/11/569483811.db2.gz HUKPLFNYHBQETJ-CQSZACIVSA-N 0 0 433.493 3.514 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O ZINC000008900609 569484090 /nfs/dbraw/zinc/48/40/90/569484090.db2.gz GUDYFEDZDGZERR-UUOWRZLLSA-N 0 0 439.581 3.820 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)nc2n1 ZINC000008899957 569484111 /nfs/dbraw/zinc/48/41/11/569484111.db2.gz IXEPREHGMAIFCJ-UHFFFAOYSA-N 0 0 425.514 3.904 50 0 IHAARN Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nc2n1 ZINC000040050557 569484197 /nfs/dbraw/zinc/48/41/97/569484197.db2.gz UQSMPRLFUXVZRK-UHFFFAOYSA-N 0 0 448.430 3.939 50 0 IHAARN CCCN(C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000040050860 569484253 /nfs/dbraw/zinc/48/42/53/569484253.db2.gz GKFODMLHNWIEDT-NRFANRHFSA-N 0 0 437.565 3.638 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000040052526 569484519 /nfs/dbraw/zinc/48/45/19/569484519.db2.gz BHKZXCPTXTXMAE-UHFFFAOYSA-N 0 0 426.542 3.862 50 0 IHAARN O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000040057253 569484588 /nfs/dbraw/zinc/48/45/88/569484588.db2.gz AZAPEZOGAKHWCT-UHFFFAOYSA-N 0 0 425.872 3.964 50 0 IHAARN COc1ccc(-c2nnn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000040059520 569484730 /nfs/dbraw/zinc/48/47/30/569484730.db2.gz NRSGQLHDJQBAHI-SFHVURJKSA-N 0 0 448.479 3.590 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Br ZINC000040059955 569484810 /nfs/dbraw/zinc/48/48/10/569484810.db2.gz FZNDWBZXDSOYLK-UHFFFAOYSA-N 0 0 444.326 3.523 50 0 IHAARN CCOc1ccccc1CNC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008912202 569484974 /nfs/dbraw/zinc/48/49/74/569484974.db2.gz UFIRQFCMUWZJJW-UHFFFAOYSA-N 0 0 430.508 3.519 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)Nc3nc4c(cccc4C)s3)cc2s1 ZINC000008912547 569484992 /nfs/dbraw/zinc/48/49/92/569484992.db2.gz YGJIZROEORMKMF-UHFFFAOYSA-N 0 0 446.579 3.782 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC2CCCC2)s1 ZINC000008912446 569484993 /nfs/dbraw/zinc/48/49/93/569484993.db2.gz ACBOLUCIGDRHKB-UHFFFAOYSA-N 0 0 434.992 3.777 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCC(C)C)s1 ZINC000008912440 569485029 /nfs/dbraw/zinc/48/50/29/569485029.db2.gz LGNOBGMUJUVKMQ-UHFFFAOYSA-N 0 0 437.008 3.881 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1 ZINC000008912691 569485131 /nfs/dbraw/zinc/48/51/31/569485131.db2.gz GEKMTMGGHXDHCG-IBGZPJMESA-N 0 0 439.585 3.877 50 0 IHAARN COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000008916987 569485898 /nfs/dbraw/zinc/48/58/98/569485898.db2.gz ZKWMOSGRWJVMEA-UHFFFAOYSA-N 0 0 435.864 3.504 50 0 IHAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917049 569485914 /nfs/dbraw/zinc/48/59/14/569485914.db2.gz WNKOOTZLXXNYMW-DYESRHJHSA-N 0 0 437.517 3.649 50 0 IHAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073776 569486168 /nfs/dbraw/zinc/48/61/68/569486168.db2.gz NPQNWZTWANAJJX-NSHDSACASA-N 0 0 426.395 3.551 50 0 IHAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000008920515 569486556 /nfs/dbraw/zinc/48/65/56/569486556.db2.gz PIMDHKYNVCVQPX-GOSISDBHSA-N 0 0 433.489 3.938 50 0 IHAARN O=C(CCc1ccccc1)N1CCC(C(=O)NCc2cccnc2OC2CCCC2)CC1 ZINC000040089409 569487047 /nfs/dbraw/zinc/48/70/47/569487047.db2.gz KFZBMDIKRBIKPX-UHFFFAOYSA-N 0 0 435.568 3.891 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1cccnc1 ZINC000040092606 569487488 /nfs/dbraw/zinc/48/74/88/569487488.db2.gz BPTJMNRFHSRLIO-LJQANCHMSA-N 0 0 438.528 3.536 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000040096774 569487558 /nfs/dbraw/zinc/48/75/58/569487558.db2.gz DZINMICOOAMLKO-UHFFFAOYSA-N 0 0 426.542 3.707 50 0 IHAARN Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@@H](c3ccccc3)CC2=O)c1 ZINC000008931822 569487593 /nfs/dbraw/zinc/48/75/93/569487593.db2.gz PDZUQDHQZBMMDV-JOCHJYFZSA-N 0 0 434.517 3.885 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O)Nc1cccc(F)c1 ZINC000008931849 569487636 /nfs/dbraw/zinc/48/76/36/569487636.db2.gz LFBNNPVIYPMCPS-OAQYLSRUSA-N 0 0 438.480 3.716 50 0 IHAARN O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 ZINC000008935807 569488010 /nfs/dbraw/zinc/48/80/10/569488010.db2.gz NVEWTSLRCMXSLJ-UHFFFAOYSA-N 0 0 443.341 3.723 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 ZINC000040104482 569488136 /nfs/dbraw/zinc/48/81/36/569488136.db2.gz SKPZEUBBYAJMDH-UHFFFAOYSA-N 0 0 425.485 3.856 50 0 IHAARN CCCc1ccc(-c2nc(NC(=O)CCn3cnc4c(cnn4C)c3=O)sc2C)cc1 ZINC000008938568 569488246 /nfs/dbraw/zinc/48/82/46/569488246.db2.gz KFTXKKJMPLIDGW-UHFFFAOYSA-N 0 0 436.541 3.543 50 0 IHAARN CC[C@@](C)(CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)N1CCOCC1 ZINC000040105586 569488272 /nfs/dbraw/zinc/48/82/72/569488272.db2.gz FDWACESIDNXZPH-QFIPXVFZSA-N 0 0 432.496 3.602 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000040107849 569488499 /nfs/dbraw/zinc/48/84/99/569488499.db2.gz ZNTJKHAZBVKSJT-SFHVURJKSA-N 0 0 448.441 3.960 50 0 IHAARN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008941646 569488618 /nfs/dbraw/zinc/48/86/18/569488618.db2.gz DASLVQGSBHLLNC-ZDUSSCGKSA-N 0 0 435.318 3.688 50 0 IHAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000008941739 569488625 /nfs/dbraw/zinc/48/86/25/569488625.db2.gz QLMMSVLKFSBQSU-GOSISDBHSA-N 0 0 438.549 3.848 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O ZINC000040114569 569489093 /nfs/dbraw/zinc/48/90/93/569489093.db2.gz UJMJVKVWMGVIOJ-WNSKOXEYSA-N 0 0 441.553 3.990 50 0 IHAARN CCSc1nc2c(cnn2CCNC(=O)Cc2ccc(F)cc2)c(NCC(C)C)n1 ZINC000008948977 569489173 /nfs/dbraw/zinc/48/91/73/569489173.db2.gz ZFEVSRVLYXOTKM-UHFFFAOYSA-N 0 0 430.553 3.504 50 0 IHAARN COc1ccc(CNc2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)s2)cc1 ZINC000040127815 569489739 /nfs/dbraw/zinc/48/97/39/569489739.db2.gz SGGGKSWNAYQECG-ZDUSSCGKSA-N 0 0 425.543 3.988 50 0 IHAARN O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000040134210 569490516 /nfs/dbraw/zinc/49/05/16/569490516.db2.gz PBSGOSVFBJDQLQ-DEOSSOPVSA-N 0 0 435.568 3.947 50 0 IHAARN CC[C@@H](C(=O)NCCCN(CC)c1cccc(C)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000008965056 569491358 /nfs/dbraw/zinc/49/13/58/569491358.db2.gz TWVTUOVDUUMNNR-FQEVSTJZSA-N 0 0 449.555 3.843 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000008965801 569491547 /nfs/dbraw/zinc/49/15/47/569491547.db2.gz XQTUEIUCHCMEFQ-OAHLLOKOSA-N 0 0 436.537 3.885 50 0 IHAARN Cn1cc(-c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cs2)cn1 ZINC000040142838 569491867 /nfs/dbraw/zinc/49/18/67/569491867.db2.gz RXDSINVXWYBQIJ-UHFFFAOYSA-N 0 0 437.447 3.651 50 0 IHAARN C[C@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1 ZINC000040153948 569493701 /nfs/dbraw/zinc/49/37/01/569493701.db2.gz SUGUZSPWCONUQF-NRFANRHFSA-N 0 0 430.552 3.774 50 0 IHAARN CCN(CC)c1nc2sc(C(=O)Nc3ccccc3C(=O)NCCOC)cc2s1 ZINC000040155161 569493901 /nfs/dbraw/zinc/49/39/01/569493901.db2.gz LHHPAEPRACXOEY-UHFFFAOYSA-N 0 0 432.571 3.833 50 0 IHAARN Cc1cc(C(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 ZINC000040158992 569494651 /nfs/dbraw/zinc/49/46/51/569494651.db2.gz YAOOZKUNLQYZKH-HYBUGGRVSA-N 0 0 440.565 3.528 50 0 IHAARN Cc1ccc(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)c1 ZINC000008985763 569494825 /nfs/dbraw/zinc/49/48/25/569494825.db2.gz VMLFEAXRXALYGS-UHFFFAOYSA-N 0 0 442.878 3.684 50 0 IHAARN COc1ccccc1/C=C1/SC(=O)N(CCC(=O)Nc2ccc3nccnc3c2)C1=O ZINC000008990688 569495002 /nfs/dbraw/zinc/49/50/02/569495002.db2.gz ZFIQFGJNLKRCKX-XDHOZWIPSA-N 0 0 434.477 3.704 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000008994297 569495583 /nfs/dbraw/zinc/49/55/83/569495583.db2.gz GLRBRGKHYINNPQ-OOULBGLYSA-N 0 0 443.613 3.578 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)cc1 ZINC000008997214 569495917 /nfs/dbraw/zinc/49/59/17/569495917.db2.gz RFKKHWIAPPLFSO-UHFFFAOYSA-N 0 0 432.505 3.688 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 ZINC000009006527 569496142 /nfs/dbraw/zinc/49/61/42/569496142.db2.gz AJUBDSADCDCSRJ-FQEVSTJZSA-N 0 0 430.913 3.689 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3Br)n2)cc1 ZINC000009031564 569497070 /nfs/dbraw/zinc/49/70/70/569497070.db2.gz CNULLQPAYUTNAE-UHFFFAOYSA-N 0 0 432.274 3.511 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC(C)C ZINC000040268418 569497509 /nfs/dbraw/zinc/49/75/09/569497509.db2.gz MPZITJKGAMXOHO-MRXNPFEDSA-N 0 0 447.499 3.785 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2F)c1 ZINC000040284835 569498029 /nfs/dbraw/zinc/49/80/29/569498029.db2.gz AHKFQSQVYSIKIF-FQEVSTJZSA-N 0 0 426.423 3.963 50 0 IHAARN COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(F)cc3OC)ccc1=O)c(C)n2C ZINC000040287324 569498176 /nfs/dbraw/zinc/49/81/76/569498176.db2.gz VGJVVBJMMXRHKL-UHFFFAOYSA-N 0 0 435.455 3.750 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(=O)N2 ZINC000040288276 569498462 /nfs/dbraw/zinc/49/84/62/569498462.db2.gz PTCAAQWKVRTXEK-CYBMUJFWSA-N 0 0 443.389 3.949 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl ZINC000009047953 569498503 /nfs/dbraw/zinc/49/85/03/569498503.db2.gz LJUUEPJSOAJBBV-SFHVURJKSA-N 0 0 434.323 3.757 50 0 IHAARN COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000009049793 569498573 /nfs/dbraw/zinc/49/85/73/569498573.db2.gz NTCLAEJLGLTUKN-UHFFFAOYSA-N 0 0 446.511 3.528 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(OC(F)F)cc1 ZINC000009051169 569498761 /nfs/dbraw/zinc/49/87/61/569498761.db2.gz QJLVSFZPDHIJSS-UHFFFAOYSA-N 0 0 443.435 3.853 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009056182 569498977 /nfs/dbraw/zinc/49/89/77/569498977.db2.gz KGFZXBSRSHNPLI-UHFFFAOYSA-N 0 0 441.488 3.964 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000069311799 569500252 /nfs/dbraw/zinc/50/02/52/569500252.db2.gz NNYLDKAOXPXHLP-JTQLQIEISA-N 0 0 434.258 3.851 50 0 IHAARN C[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000245234320 569500420 /nfs/dbraw/zinc/50/04/20/569500420.db2.gz AEMXPQFJWHRWNV-HZMBPMFUSA-N 0 0 430.140 3.575 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009094862 569501272 /nfs/dbraw/zinc/50/12/72/569501272.db2.gz LHLWWFWNXBWFLB-HSZRJFAPSA-N 0 0 438.549 3.922 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000245253904 569501443 /nfs/dbraw/zinc/50/14/43/569501443.db2.gz RHGGHSDFPGMOEB-IBVKSMDESA-N 0 0 449.595 3.730 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009104079 569501787 /nfs/dbraw/zinc/50/17/87/569501787.db2.gz JFVCMGGZTINPSZ-KRWDZBQOSA-N 0 0 449.532 3.903 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1-c1ccccc1C ZINC000009111820 569502318 /nfs/dbraw/zinc/50/23/18/569502318.db2.gz JIJQXUGBADTXID-UHFFFAOYSA-N 0 0 439.932 3.849 50 0 IHAARN Cc1cccc(N2CC[N@H+]([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)C[C@@H]2C)c1 ZINC000245312999 569503078 /nfs/dbraw/zinc/50/30/78/569503078.db2.gz YVBYTYWPSWCLGU-TUACAJSNSA-N 0 0 427.614 3.795 50 0 IHAARN COc1ccc(OCCCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009119383 569503506 /nfs/dbraw/zinc/50/35/06/569503506.db2.gz TYFUNSWIGMWCTC-UHFFFAOYSA-N 0 0 427.375 3.935 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000009120224 569503762 /nfs/dbraw/zinc/50/37/62/569503762.db2.gz RLIYRAWAQRXEPR-GOSISDBHSA-N 0 0 444.981 3.538 50 0 IHAARN CCCCN1C(=O)C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009120227 569503765 /nfs/dbraw/zinc/50/37/65/569503765.db2.gz SJIKCEDZCRHXOQ-ZJSXRUAMSA-N 0 0 438.524 3.875 50 0 IHAARN O=C(CSc1nnc2sc3ccccc3n12)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009121175 569504164 /nfs/dbraw/zinc/50/41/64/569504164.db2.gz NQKXLAFFHWMHKB-UHFFFAOYSA-N 0 0 441.582 3.831 50 0 IHAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1OC ZINC000009129718 569505868 /nfs/dbraw/zinc/50/58/68/569505868.db2.gz OKJZJSRGAFIJLG-PXDATVDWSA-N 0 0 428.444 3.785 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1Cl ZINC000009130046 569505942 /nfs/dbraw/zinc/50/59/42/569505942.db2.gz RDCSGMGRKSGSSN-OAHLLOKOSA-N 0 0 425.872 3.793 50 0 IHAARN CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccccc1Cl ZINC000009130520 569506067 /nfs/dbraw/zinc/50/60/67/569506067.db2.gz LTBBHYIJZVQMFX-IBGZPJMESA-N 0 0 439.947 3.950 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000069417894 569506166 /nfs/dbraw/zinc/50/61/66/569506166.db2.gz LYWQFZYBJSQPNT-CQSZACIVSA-N 0 0 425.963 3.798 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000069417895 569506178 /nfs/dbraw/zinc/50/61/78/569506178.db2.gz LYWQFZYBJSQPNT-AWEZNQCLSA-N 0 0 425.963 3.798 50 0 IHAARN Cn1c2ccccc2c(Cl)c1C(=O)N(CC(N)=O)Cc1ccc(Br)cc1 ZINC000069419090 569506180 /nfs/dbraw/zinc/50/61/80/569506180.db2.gz YASNEYWJMGJJJO-UHFFFAOYSA-N 0 0 434.721 3.722 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)cc1F ZINC000069417908 569506221 /nfs/dbraw/zinc/50/62/21/569506221.db2.gz NJTNMHANCNAEBX-SFHVURJKSA-N 0 0 434.895 3.760 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000009141482 569507279 /nfs/dbraw/zinc/50/72/79/569507279.db2.gz MWZCHZMUDUULMG-UHFFFAOYSA-N 0 0 444.582 3.777 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1cccc(OC)c1)n2C ZINC000009153796 569508183 /nfs/dbraw/zinc/50/81/83/569508183.db2.gz POSSKCZSDDMMOM-UHFFFAOYSA-N 0 0 441.487 3.710 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1cccc(F)c1)n2C ZINC000009153786 569508193 /nfs/dbraw/zinc/50/81/93/569508193.db2.gz CECAZUODJRFPMP-UHFFFAOYSA-N 0 0 429.451 3.840 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000009155257 569508255 /nfs/dbraw/zinc/50/82/55/569508255.db2.gz 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CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009197454 569511067 /nfs/dbraw/zinc/51/10/67/569511067.db2.gz PKSKICXSGIJVHW-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(CO)nc3ccccc32)cc1 ZINC000009202707 569511255 /nfs/dbraw/zinc/51/12/55/569511255.db2.gz IHLZKAARBNGVKJ-DEOSSOPVSA-N 0 0 440.503 3.915 50 0 IHAARN Cc1ccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCOCC2)cc1 ZINC000009205795 569511351 /nfs/dbraw/zinc/51/13/51/569511351.db2.gz LMFNSTRPSPHLBJ-UHFFFAOYSA-N 0 0 440.554 3.816 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009209261 569511545 /nfs/dbraw/zinc/51/15/45/569511545.db2.gz WKPJKVJRTHFQPW-UHFFFAOYSA-N 0 0 441.475 3.808 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009216815 569512174 /nfs/dbraw/zinc/51/21/74/569512174.db2.gz MGMVZSQPLDYCAT-INIZCTEOSA-N 0 0 445.589 3.712 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000009216817 569512183 /nfs/dbraw/zinc/51/21/83/569512183.db2.gz MGMVZSQPLDYCAT-MRXNPFEDSA-N 0 0 445.589 3.712 50 0 IHAARN Cc1c(N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000069667432 569512253 /nfs/dbraw/zinc/51/22/53/569512253.db2.gz JTGOIVZDIVTFLF-CYBMUJFWSA-N 0 0 434.418 3.822 50 0 IHAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1c1ccc(OC)cc1 ZINC000009217509 569512292 /nfs/dbraw/zinc/51/22/92/569512292.db2.gz ZJRZDRBOXOMUOS-ISKFKSNPSA-N 0 0 449.551 3.916 50 0 IHAARN COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)sc2c1 ZINC000009218633 569512435 /nfs/dbraw/zinc/51/24/35/569512435.db2.gz ZROCNAYMWPYJCV-SFHVURJKSA-N 0 0 433.555 3.555 50 0 IHAARN COc1ccccc1[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1nccn1C ZINC000009219791 569512505 /nfs/dbraw/zinc/51/25/05/569512505.db2.gz GLIJFOGCKMJNEP-FQEVSTJZSA-N 0 0 429.459 3.898 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc2c(c1)OCCO2 ZINC000009222768 569512845 /nfs/dbraw/zinc/51/28/45/569512845.db2.gz 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CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239114 569514464 /nfs/dbraw/zinc/51/44/64/569514464.db2.gz JSZCYAHILMRIFC-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN Cc1nn(-c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2)c(C)c1Cl ZINC000009248602 569515485 /nfs/dbraw/zinc/51/54/85/569515485.db2.gz ZIAPGWCNLXIUQA-UHFFFAOYSA-N 0 0 444.850 3.787 50 0 IHAARN COc1ccc(C2=CCN(C(=O)c3cccc(NC(=O)CCn4ccnc4)c3)CC2)cc1 ZINC000069742554 569515983 /nfs/dbraw/zinc/51/59/83/569515983.db2.gz AMHVGAZLOKQWQX-UHFFFAOYSA-N 0 0 430.508 3.850 50 0 IHAARN Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](NC(=O)c1cccc(C)c1)C(=O)N2 ZINC000009252567 569516005 /nfs/dbraw/zinc/51/60/05/569516005.db2.gz HSCOEDSAAOSPFT-MOPGFXCFSA-N 0 0 442.441 3.938 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2=O)c1 ZINC000009253677 569516265 /nfs/dbraw/zinc/51/62/65/569516265.db2.gz IFRRGJDRNLOCDP-ZDUSSCGKSA-N 0 0 427.917 3.634 50 0 IHAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009253893 569516273 /nfs/dbraw/zinc/51/62/73/569516273.db2.gz OQGGHHVIMVLVLQ-QFIPXVFZSA-N 0 0 447.560 3.606 50 0 IHAARN Cc1c(NC(=O)CSc2nccn2-c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000009254642 569516403 /nfs/dbraw/zinc/51/64/03/569516403.db2.gz XVRWEVNSVGNCAG-UHFFFAOYSA-N 0 0 433.537 3.709 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1C ZINC000009256706 569516748 /nfs/dbraw/zinc/51/67/48/569516748.db2.gz KAEOLEQBUKJUAT-QGZVFWFLSA-N 0 0 440.525 3.611 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)ccc2N1 ZINC000009257252 569516824 /nfs/dbraw/zinc/51/68/24/569516824.db2.gz QTWXOHJPJMAYDQ-HNNXBMFYSA-N 0 0 427.551 3.749 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Br)c3)CC2=O)c1C ZINC000009257510 569516834 /nfs/dbraw/zinc/51/68/34/569516834.db2.gz BVDNOGCUJYGBGL-HNNXBMFYSA-N 0 0 445.313 3.601 50 0 IHAARN CC(C)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)on1 ZINC000009257902 569516875 /nfs/dbraw/zinc/51/68/75/569516875.db2.gz UKDXJLIPIQIXMA-UHFFFAOYSA-N 0 0 427.317 3.808 50 0 IHAARN CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2F)[C@@H](c2ccco2)C1 ZINC000009260397 569516952 /nfs/dbraw/zinc/51/69/52/569516952.db2.gz DVRBVEQFVSRHQR-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC)n2C)cc1OC ZINC000009263308 569517145 /nfs/dbraw/zinc/51/71/45/569517145.db2.gz KWBJJDHTGHOGQS-UHFFFAOYSA-N 0 0 430.555 3.952 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009263701 569517213 /nfs/dbraw/zinc/51/72/13/569517213.db2.gz GPIJATKHWFAJMO-UHFFFAOYSA-N 0 0 428.489 3.602 50 0 IHAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)ccc2N1C(=O)C1CC1 ZINC000009273601 569518076 /nfs/dbraw/zinc/51/80/76/569518076.db2.gz ALCAONGQAUHAFS-KRWDZBQOSA-N 0 0 446.613 3.767 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@@H]1CCCc2ccccc21 ZINC000009276311 569518396 /nfs/dbraw/zinc/51/83/96/569518396.db2.gz NDJDGWVYTHLDGM-JOCHJYFZSA-N 0 0 437.565 3.620 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000009283330 569518865 /nfs/dbraw/zinc/51/88/65/569518865.db2.gz DGIJXFWIRMQNKP-UHFFFAOYSA-N 0 0 428.485 3.955 50 0 IHAARN O=c1cc(CSc2nnc(-c3ccc(F)cc3)o2)nc2ccc(Br)cn12 ZINC000009283963 569518956 /nfs/dbraw/zinc/51/89/56/569518956.db2.gz LDQQWQDCAQFAMP-UHFFFAOYSA-N 0 0 433.262 3.938 50 0 IHAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)NC1CC1 ZINC000009284885 569519128 /nfs/dbraw/zinc/51/91/28/569519128.db2.gz NSXGTGGXHCIXFV-UHFFFAOYSA-N 0 0 442.471 3.998 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1Cl ZINC000009288348 569519357 /nfs/dbraw/zinc/51/93/57/569519357.db2.gz ZZRHXTGFFKQTOI-ZDUSSCGKSA-N 0 0 426.897 3.527 50 0 IHAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000009288800 569519422 /nfs/dbraw/zinc/51/94/22/569519422.db2.gz NEAPSASEETWLBD-UHFFFAOYSA-N 0 0 445.479 3.667 50 0 IHAARN COCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000009288873 569519461 /nfs/dbraw/zinc/51/94/61/569519461.db2.gz ADUIVTNTOJEXFS-UHFFFAOYSA-N 0 0 429.480 3.818 50 0 IHAARN COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)c1OC ZINC000009290437 569519748 /nfs/dbraw/zinc/51/97/48/569519748.db2.gz ZPDZPHRLVRQPFJ-UHFFFAOYSA-N 0 0 445.269 3.922 50 0 IHAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4)CC3)N=C2SC)cc1 ZINC000009300129 569520592 /nfs/dbraw/zinc/52/05/92/569520592.db2.gz WCVMOCDMUBIORZ-UHFFFAOYSA-N 0 0 447.557 3.580 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000009301754 569520781 /nfs/dbraw/zinc/52/07/81/569520781.db2.gz FAEWRVCJPYZASU-UHFFFAOYSA-N 0 0 430.551 3.872 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)s1 ZINC000009302710 569520916 /nfs/dbraw/zinc/52/09/16/569520916.db2.gz QRGIZTKKRVDLFS-UHFFFAOYSA-N 0 0 432.575 3.546 50 0 IHAARN Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009303703 569521084 /nfs/dbraw/zinc/52/10/84/569521084.db2.gz NHPLOASVWXQDAD-AWEZNQCLSA-N 0 0 426.498 3.551 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000009306294 569521365 /nfs/dbraw/zinc/52/13/65/569521365.db2.gz XLDXSYZBPJHJNL-QGZVFWFLSA-N 0 0 429.325 3.794 50 0 IHAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1OC ZINC000009309768 569521616 /nfs/dbraw/zinc/52/16/16/569521616.db2.gz CIKPGHUYVVGOQZ-DNQXCXABSA-N 0 0 439.475 3.903 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(C)cc2C)cc1 ZINC000009314474 569521974 /nfs/dbraw/zinc/52/19/74/569521974.db2.gz YCJZPFZUTAAFSW-UHFFFAOYSA-N 0 0 440.569 3.535 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000009316766 569522279 /nfs/dbraw/zinc/52/22/79/569522279.db2.gz FPYOORAPPWHCNU-UHFFFAOYSA-N 0 0 439.737 3.890 50 0 IHAARN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1 ZINC000009339503 569523758 /nfs/dbraw/zinc/52/37/58/569523758.db2.gz BJXPQRGQCSARLW-UHFFFAOYSA-N 0 0 431.583 3.971 50 0 IHAARN Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 ZINC000069925613 569523939 /nfs/dbraw/zinc/52/39/39/569523939.db2.gz HLPMALHORPOXBY-UHFFFAOYSA-N 0 0 433.531 3.899 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)NCc1ccncc1)CC2 ZINC000009343706 569523951 /nfs/dbraw/zinc/52/39/51/569523951.db2.gz VHYLRBQMOOFYAQ-UHFFFAOYSA-N 0 0 446.507 3.619 50 0 IHAARN C[C@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000069923634 569523981 /nfs/dbraw/zinc/52/39/81/569523981.db2.gz PYQZBVFXPRPHTA-HOTGVXAUSA-N 0 0 449.444 3.588 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009349096 569524661 /nfs/dbraw/zinc/52/46/61/569524661.db2.gz ZTOAUXGQIDKENV-UHFFFAOYSA-N 0 0 430.448 3.753 50 0 IHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCc2nc(C)c(C)o2)cc1OC ZINC000069950619 569525291 /nfs/dbraw/zinc/52/52/91/569525291.db2.gz SNNBWXKOVXMLJW-UHFFFAOYSA-N 0 0 440.452 3.683 50 0 IHAARN CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)C1=O ZINC000069972804 569526345 /nfs/dbraw/zinc/52/63/45/569526345.db2.gz VPJNLNGTMGUODK-UHFFFAOYSA-N 0 0 432.552 3.869 50 0 IHAARN COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c3s2)cc1 ZINC000009376960 569527413 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COc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1NC(C)=O ZINC000009390587 569528685 /nfs/dbraw/zinc/52/86/85/569528685.db2.gz SOMHQXIKQPXKJM-KRWDZBQOSA-N 0 0 431.539 3.789 50 0 IHAARN CCn1c2ccccc2n(CCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1=O ZINC000070036594 569529327 /nfs/dbraw/zinc/52/93/27/569529327.db2.gz ZPHMMUUMHFCNOT-UHFFFAOYSA-N 0 0 440.975 3.601 50 0 IHAARN O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl)Nc1ccccc1 ZINC000009405145 569529812 /nfs/dbraw/zinc/52/98/12/569529812.db2.gz BUKYRUBHQQJVAN-UHFFFAOYSA-N 0 0 437.912 3.619 50 0 IHAARN CC(C)CCn1c(=O)c2nccnc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000009405265 569529829 /nfs/dbraw/zinc/52/98/29/569529829.db2.gz YJOFYBCPDMYPLD-UHFFFAOYSA-N 0 0 435.912 3.756 50 0 IHAARN CCCN(C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccc(F)cc1 ZINC000009407481 569530240 /nfs/dbraw/zinc/53/02/40/569530240.db2.gz LGAWVCWGCKVTHH-UHFFFAOYSA-N 0 0 436.487 3.644 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccccc1OC ZINC000009409894 569531182 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3.901 50 0 IHAARN CCc1ccc(C2=C(C)C(NCC(=O)Nc3ccc(F)cc3Cl)=NS2(=O)=O)cc1 ZINC000009687124 569560785 /nfs/dbraw/zinc/56/07/85/569560785.db2.gz UBSYMLLDDQVIDF-UHFFFAOYSA-N 0 0 435.908 3.743 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCCC1 ZINC000009704106 569561434 /nfs/dbraw/zinc/56/14/34/569561434.db2.gz JDVUPDWMSSVNCI-UHFFFAOYSA-N 0 0 442.899 3.886 50 0 IHAARN CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc1 ZINC000009707672 569561626 /nfs/dbraw/zinc/56/16/26/569561626.db2.gz DTEGKSBXOGDTLI-UHFFFAOYSA-N 0 0 433.489 3.983 50 0 IHAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)o1 ZINC000009707611 569561627 /nfs/dbraw/zinc/56/16/27/569561627.db2.gz SCKOPXQRNROXAZ-UHFFFAOYSA-N 0 0 433.489 3.911 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c1 ZINC000009708344 569561930 /nfs/dbraw/zinc/56/19/30/569561930.db2.gz HQUWUKIAQZTJSC-OAQYLSRUSA-N 0 0 448.548 3.565 50 0 IHAARN Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)ccc1Br ZINC000009708644 569561970 /nfs/dbraw/zinc/56/19/70/569561970.db2.gz SBAVBCUGTKLDCP-LBPRGKRZSA-N 0 0 435.343 3.955 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1Cl ZINC000070901079 569562021 /nfs/dbraw/zinc/56/20/21/569562021.db2.gz TWNGHWJCUCGGKL-UHFFFAOYSA-N 0 0 426.904 3.761 50 0 IHAARN COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(OC)c1Br ZINC000009711263 569562097 /nfs/dbraw/zinc/56/20/97/569562097.db2.gz SHPZVWAPQFILGI-UHFFFAOYSA-N 0 0 444.289 3.707 50 0 IHAARN CC1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000009713636 569562634 /nfs/dbraw/zinc/56/26/34/569562634.db2.gz ASXTUUISWIDBLE-UHFFFAOYSA-N 0 0 425.529 3.935 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O ZINC000009713870 569562727 /nfs/dbraw/zinc/56/27/27/569562727.db2.gz AJVNPBYSLJBZCK-RCDICMHDSA-N 0 0 437.525 3.502 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1F ZINC000009715069 569562996 /nfs/dbraw/zinc/56/29/96/569562996.db2.gz JYSCEKOEBGCARS-UHFFFAOYSA-N 0 0 439.468 3.643 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(C)cc1 ZINC000009722940 569563493 /nfs/dbraw/zinc/56/34/93/569563493.db2.gz BJEZMTFVDBTMLF-UHFFFAOYSA-N 0 0 446.617 3.770 50 0 IHAARN Cc1cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000009724732 569563698 /nfs/dbraw/zinc/56/36/98/569563698.db2.gz YUPKRJBRSLOYNB-KRWDZBQOSA-N 0 0 444.333 3.583 50 0 IHAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000009724809 569563751 /nfs/dbraw/zinc/56/37/51/569563751.db2.gz ZZFYXKOTMIIYTD-JOCHJYFZSA-N 0 0 442.544 3.908 50 0 IHAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N(c1ccccc1)C1CCCCC1 ZINC000009726470 569563921 /nfs/dbraw/zinc/56/39/21/569563921.db2.gz BNEUUIIUQRVBTF-INIZCTEOSA-N 0 0 449.598 3.505 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCCc5ccccc54)nc(C)n3n2)cc1 ZINC000009727731 569564035 /nfs/dbraw/zinc/56/40/35/569564035.db2.gz CNSMCWMSPGTKHP-JOCHJYFZSA-N 0 0 441.535 3.623 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc(Br)cc1 ZINC000009728598 569564145 /nfs/dbraw/zinc/56/41/45/569564145.db2.gz SLNSRGXLFYUJEZ-UHFFFAOYSA-N 0 0 426.361 3.758 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)c(OC)c1 ZINC000009737744 569564809 /nfs/dbraw/zinc/56/48/09/569564809.db2.gz BLUTUEPFLYFRJQ-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 ZINC000009741854 569565283 /nfs/dbraw/zinc/56/52/83/569565283.db2.gz IOPKRUBSAUGIEE-LJQANCHMSA-N 0 0 439.555 3.689 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009741896 569565312 /nfs/dbraw/zinc/56/53/12/569565312.db2.gz GUNPEAVHPZBTRZ-HXUWFJFHSA-N 0 0 435.592 3.858 50 0 IHAARN O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)NCc1ccc(F)cc1 ZINC000009749736 569565999 /nfs/dbraw/zinc/56/59/99/569565999.db2.gz ZNOLCRJVHAPRDU-UHFFFAOYSA-N 0 0 429.451 3.938 50 0 IHAARN COc1cc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc(OC)c1 ZINC000009761430 569566272 /nfs/dbraw/zinc/56/62/72/569566272.db2.gz YKTQZXHBGBYHLK-UHFFFAOYSA-N 0 0 445.928 3.942 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000009766456 569566806 /nfs/dbraw/zinc/56/68/06/569566806.db2.gz QVDFWJAVPNPYAI-HSZRJFAPSA-N 0 0 439.519 3.732 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nn1 ZINC000009787068 569567911 /nfs/dbraw/zinc/56/79/11/569567911.db2.gz BYSXILGBORVPNC-UHFFFAOYSA-N 0 0 431.901 3.608 50 0 IHAARN Cn1c2nc3oc(-c4ccc(F)cc4)cn3c2c(=O)n(Cc2c(F)cccc2Cl)c1=O ZINC000009789719 569568149 /nfs/dbraw/zinc/56/81/49/569568149.db2.gz VZBCGAHKUVITLT-UHFFFAOYSA-N 0 0 442.809 3.588 50 0 IHAARN Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(-c5ccc(Cl)cc5)cn43)n(C)c2=O)c1 ZINC000009789753 569568180 /nfs/dbraw/zinc/56/81/80/569568180.db2.gz ABASYBLRIMOBGD-UHFFFAOYSA-N 0 0 434.883 3.926 50 0 IHAARN COc1cccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1OC ZINC000009808939 569569057 /nfs/dbraw/zinc/56/90/57/569569057.db2.gz IFURJQRZTAMFIU-UHFFFAOYSA-N 0 0 440.500 3.895 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000009823435 569569589 /nfs/dbraw/zinc/56/95/89/569569589.db2.gz RGJAKBCLWWSCFX-UHFFFAOYSA-N 0 0 444.553 3.594 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1 ZINC000009829100 569569988 /nfs/dbraw/zinc/56/99/88/569569988.db2.gz FWCYAFKGATZACW-UHFFFAOYSA-N 0 0 433.493 3.617 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000009829876 569570151 /nfs/dbraw/zinc/57/01/51/569570151.db2.gz DVODWIRTQLEEQJ-UHFFFAOYSA-N 0 0 448.500 3.983 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1 ZINC000009841238 569570892 /nfs/dbraw/zinc/57/08/92/569570892.db2.gz MXTSERRRVHXXOL-UHFFFAOYSA-N 0 0 447.564 3.749 50 0 IHAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2c1 ZINC000009848072 569571168 /nfs/dbraw/zinc/57/11/68/569571168.db2.gz QHCJFPVFIANQHS-INIZCTEOSA-N 0 0 439.537 3.957 50 0 IHAARN Cc1ccc(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)c(Br)c1 ZINC000009857828 569571670 /nfs/dbraw/zinc/57/16/70/569571670.db2.gz ZARZLTMCVPOGEG-UHFFFAOYSA-N 0 0 425.286 3.598 50 0 IHAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000009864088 569572130 /nfs/dbraw/zinc/57/21/30/569572130.db2.gz LZXATRFIXVPVDY-SFHVURJKSA-N 0 0 432.615 3.702 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1cc2ccccc2o1 ZINC000009876885 569572699 /nfs/dbraw/zinc/57/26/99/569572699.db2.gz XUCXZSDJEDWVJD-ODCWNRFASA-N 0 0 431.492 3.566 50 0 IHAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000009933325 569573778 /nfs/dbraw/zinc/57/37/78/569573778.db2.gz QGCCNGQQAUYMGC-VWLOTQADSA-N 0 0 439.471 3.758 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000009949171 569574230 /nfs/dbraw/zinc/57/42/30/569574230.db2.gz YTIRESIKNCXFHY-UHFFFAOYSA-N 0 0 447.564 3.928 50 0 IHAARN C[C@@H](c1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009949827 569574257 /nfs/dbraw/zinc/57/42/57/569574257.db2.gz TVLZHGDZTXKOMN-INIZCTEOSA-N 0 0 443.548 3.955 50 0 IHAARN CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000009951943 569574486 /nfs/dbraw/zinc/57/44/86/569574486.db2.gz BEDUVNXWFUNXJK-OAHLLOKOSA-N 0 0 436.541 3.642 50 0 IHAARN CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C3=C2C(=O)OC3)cc1 ZINC000071326836 569574994 /nfs/dbraw/zinc/57/49/94/569574994.db2.gz PGFKKKUSTYKUBJ-NRFANRHFSA-N 0 0 437.521 3.541 50 0 IHAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccc(C)cc1 ZINC000071327249 569575199 /nfs/dbraw/zinc/57/51/99/569575199.db2.gz ZDQRJLZCNLIQQJ-UHFFFAOYSA-N 0 0 432.311 3.770 50 0 IHAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)NCc1ccc(F)cc1 ZINC000071327405 569575292 /nfs/dbraw/zinc/57/52/92/569575292.db2.gz NIYDMECNUQJIGO-UHFFFAOYSA-N 0 0 436.274 3.601 50 0 IHAARN Nn1c(=O)c2cc(Br)ccc2nc1SCc1ccc(Br)cc1 ZINC000071327691 569575380 /nfs/dbraw/zinc/57/53/80/569575380.db2.gz GWTYWQOWCOWXCF-UHFFFAOYSA-N 0 0 441.148 3.928 50 0 IHAARN CCCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccccc1F ZINC000009960909 569575463 /nfs/dbraw/zinc/57/54/63/569575463.db2.gz MOZCIWHEPNWVPJ-UHFFFAOYSA-N 0 0 430.483 3.965 50 0 IHAARN CCc1ccccc1N(CC)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009961019 569575588 /nfs/dbraw/zinc/57/55/88/569575588.db2.gz ZNOLIZUWPXXCFL-UHFFFAOYSA-N 0 0 426.520 3.998 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)cc1F ZINC000009962020 569575644 /nfs/dbraw/zinc/57/56/44/569575644.db2.gz VOVQQQHBOMNZOW-KRWDZBQOSA-N 0 0 427.501 3.722 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1 ZINC000009963539 569575824 /nfs/dbraw/zinc/57/58/24/569575824.db2.gz CIGKNQRTZUGNKV-UHFFFAOYSA-N 0 0 436.892 3.674 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 ZINC000009963916 569575841 /nfs/dbraw/zinc/57/58/41/569575841.db2.gz SGRPFDYTVRTURH-UHFFFAOYSA-N 0 0 435.807 3.558 50 0 IHAARN COC(=O)c1sccc1NC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 ZINC000009964395 569575913 /nfs/dbraw/zinc/57/59/13/569575913.db2.gz DGJMHBDYEALDCH-UHFFFAOYSA-N 0 0 436.540 3.869 50 0 IHAARN Cc1cc2c(nc(SCC(=O)Nc3cccc(O)c3)n(Cc3ccco3)c2=O)s1 ZINC000009970683 569576231 /nfs/dbraw/zinc/57/62/31/569576231.db2.gz RBJUDLYGOCDVIY-UHFFFAOYSA-N 0 0 427.507 3.844 50 0 IHAARN Cn1c2cn(-c3ccc(F)cc3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000009972174 569576397 /nfs/dbraw/zinc/57/63/97/569576397.db2.gz SYNPDCQYZRLJCR-UHFFFAOYSA-N 0 0 428.261 3.597 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000009987303 569576781 /nfs/dbraw/zinc/57/67/81/569576781.db2.gz BBNPSZHGQHYVOI-UHFFFAOYSA-N 0 0 429.311 3.871 50 0 IHAARN COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010014017 569577120 /nfs/dbraw/zinc/57/71/20/569577120.db2.gz ZJJVOBTWMSYRFC-UHFFFAOYSA-N 0 0 438.549 3.511 50 0 IHAARN Cc1ccnc2nc(C(=O)OCC(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nn21 ZINC000010021742 569577203 /nfs/dbraw/zinc/57/72/03/569577203.db2.gz CSADKPAPWJIUGP-UHFFFAOYSA-N 0 0 449.081 3.842 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1 ZINC000010022439 569577279 /nfs/dbraw/zinc/57/72/79/569577279.db2.gz NYSOFFQMMMEVPC-QGZVFWFLSA-N 0 0 443.569 3.560 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000010031902 569577336 /nfs/dbraw/zinc/57/73/36/569577336.db2.gz IBCQKJCLIQFHJL-SFHVURJKSA-N 0 0 446.594 3.995 50 0 IHAARN COc1ccc(OC)c2sc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)nc21 ZINC000010061315 569577577 /nfs/dbraw/zinc/57/75/77/569577577.db2.gz KHSYJSSOZRTCCR-UHFFFAOYSA-N 0 0 437.974 3.920 50 0 IHAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000010069290 569577638 /nfs/dbraw/zinc/57/76/38/569577638.db2.gz JGAOARONWAWOCG-INIZCTEOSA-N 0 0 437.471 3.855 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000010145567 569578142 /nfs/dbraw/zinc/57/81/42/569578142.db2.gz HQYALWNKSWGOJH-AEFFLSMTSA-N 0 0 435.549 3.645 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000010186585 569578405 /nfs/dbraw/zinc/57/84/05/569578405.db2.gz HYUQCVRDZORXOA-UHFFFAOYSA-N 0 0 445.422 3.912 50 0 IHAARN COc1ccccc1CCNC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188144 569578817 /nfs/dbraw/zinc/57/88/17/569578817.db2.gz BWDKNQSWABMFJW-UHFFFAOYSA-N 0 0 431.467 3.565 50 0 IHAARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000010214341 569579140 /nfs/dbraw/zinc/57/91/40/569579140.db2.gz AFVAMLXKVBSWEX-QFIPXVFZSA-N 0 0 435.524 3.976 50 0 IHAARN COc1cc(NC(=O)c2nnn(-c3cc(Cl)c(OC)cc3OC)c2C)cc(OC)c1 ZINC000010272351 569580208 /nfs/dbraw/zinc/58/02/08/569580208.db2.gz HOGXMHNOYMWQED-UHFFFAOYSA-N 0 0 432.864 3.516 50 0 IHAARN CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O ZINC000010272970 569580227 /nfs/dbraw/zinc/58/02/27/569580227.db2.gz AFSHROCTGCIBPH-UHFFFAOYSA-N 0 0 433.386 3.539 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000010276002 569580384 /nfs/dbraw/zinc/58/03/84/569580384.db2.gz CGIYOZPUMSACOF-CQSZACIVSA-N 0 0 447.507 3.527 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc3c(cc2=O)CCCC3)cc1 ZINC000010277450 569580437 /nfs/dbraw/zinc/58/04/37/569580437.db2.gz NMJNFXDYSLHTDC-XMMPIXPASA-N 0 0 442.519 3.509 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1Cl ZINC000071769035 569580858 /nfs/dbraw/zinc/58/08/58/569580858.db2.gz ZNHIQDTYBUHKJD-UHFFFAOYSA-N 0 0 433.867 3.502 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCOc4ccc(C)cc43)C2=O)cc1 ZINC000071768963 569580862 /nfs/dbraw/zinc/58/08/62/569580862.db2.gz AKPFLCXBODPPTK-UHFFFAOYSA-N 0 0 447.535 3.721 50 0 IHAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc4ccccc4c3)nn2)cc1 ZINC000010324496 569580959 /nfs/dbraw/zinc/58/09/59/569580959.db2.gz JLZVTSYGYHIRNS-UHFFFAOYSA-N 0 0 435.505 3.663 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1OC ZINC000010327571 569581003 /nfs/dbraw/zinc/58/10/03/569581003.db2.gz OSNNOONBDOWLNS-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN Cc1c(Cl)cccc1-n1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O ZINC000010367314 569581471 /nfs/dbraw/zinc/58/14/71/569581471.db2.gz XLZBBXWRALZUNR-KRWDZBQOSA-N 0 0 444.944 3.659 50 0 IHAARN NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000010380396 569581584 /nfs/dbraw/zinc/58/15/84/569581584.db2.gz IROUVGDUASZUNO-UHFFFAOYSA-N 0 0 428.945 3.522 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 ZINC000010433563 569582102 /nfs/dbraw/zinc/58/21/02/569582102.db2.gz TYXCCSKVAYLPSW-UHFFFAOYSA-N 0 0 427.460 3.879 50 0 IHAARN CC(C)C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000010445686 569582253 /nfs/dbraw/zinc/58/22/53/569582253.db2.gz UQOXPSUISNGYHY-JOCHJYFZSA-N 0 0 447.535 3.575 50 0 IHAARN COc1cc2ncn(CCCC(=O)Nc3nc(C(C)(C)C)cs3)c(=O)c2cc1OC ZINC000010445387 569582268 /nfs/dbraw/zinc/58/22/68/569582268.db2.gz LGTYAFRNPCFSHD-UHFFFAOYSA-N 0 0 430.530 3.587 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(I)o1)c1ccccc1 ZINC000071862949 569582561 /nfs/dbraw/zinc/58/25/61/569582561.db2.gz CJLQJTGTZQDTGQ-VMSUTVGLSA-N 0 0 433.249 3.537 50 0 IHAARN COC(=O)c1nc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)sc1CC(C)C ZINC000095479561 569583672 /nfs/dbraw/zinc/58/36/72/569583672.db2.gz DOYBUPKWWJRJTO-UHFFFAOYSA-N 0 0 432.542 3.824 50 0 biogenic IHAARN COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(SC)cc4)ccc3=O)sc2c1 ZINC000071279993 569584668 /nfs/dbraw/zinc/58/46/68/569584668.db2.gz WSZRFJCNTWXAHF-UHFFFAOYSA-N 0 0 438.534 3.889 50 0 IHAARN Cn1nc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)n(-c2ccccc2)c1=O ZINC000077146552 569585635 /nfs/dbraw/zinc/58/56/35/569585635.db2.gz SZJJWGGTNFJLMU-UHFFFAOYSA-N 0 0 436.581 3.851 50 0 IHAARN O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000077196674 569586074 /nfs/dbraw/zinc/58/60/74/569586074.db2.gz KUKRRQUQAZVINI-UHFFFAOYSA-N 0 0 443.433 3.861 50 0 IHAARN Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2nc4ccccc4s2)CC3)no1 ZINC000077196464 569586110 /nfs/dbraw/zinc/58/61/10/569586110.db2.gz ISWVOYUPBPFZNZ-UHFFFAOYSA-N 0 0 425.495 3.500 50 0 IHAARN C[C@H](NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000077198068 569586266 /nfs/dbraw/zinc/58/62/66/569586266.db2.gz XCXQGHVOVMNPQV-JHMRYYBSSA-N 0 0 440.510 3.989 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077200210 569586383 /nfs/dbraw/zinc/58/63/83/569586383.db2.gz ADMDZWIYLYWXLJ-MOPGFXCFSA-N 0 0 430.526 3.527 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000077200936 569586557 /nfs/dbraw/zinc/58/65/57/569586557.db2.gz FGCRKEYDKLPAJA-UHFFFAOYSA-N 0 0 438.478 3.648 50 0 IHAARN CNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1 ZINC000078336360 569586598 /nfs/dbraw/zinc/58/65/98/569586598.db2.gz IUQOHNSTTZCHPA-UHFFFAOYSA-N 0 0 436.524 3.777 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2ccn(CC(=O)NCc3ccc(F)cc3Cl)c(=O)c12 ZINC000033298775 569587465 /nfs/dbraw/zinc/58/74/65/569587465.db2.gz ZXIFPJLILSWCPG-UHFFFAOYSA-N 0 0 438.890 3.913 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119804 569587844 /nfs/dbraw/zinc/58/78/44/569587844.db2.gz AXPBCEMDYITPRM-OAQYLSRUSA-N 0 0 444.597 3.692 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000036216663 569587925 /nfs/dbraw/zinc/58/79/25/569587925.db2.gz YICWOARYWMNLOS-GOTSBHOMSA-N 0 0 447.491 3.925 50 0 IHAARN Cc1sc2nc(SCC(=O)NC(=O)NCC(C)C)n(C3CCCC3)c(=O)c2c1C ZINC000012820483 121316963 /nfs/dbraw/zinc/31/69/63/121316963.db2.gz HNIYPSVATTUKDX-UHFFFAOYSA-N 0 0 436.603 3.764 50 0 IHAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000633887 193864836 /nfs/dbraw/zinc/86/48/36/193864836.db2.gz KJZMVOKKXRASJJ-UHFFFAOYSA-N 0 0 449.989 3.716 50 0 IHAARN COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C ZINC000006110511 193879416 /nfs/dbraw/zinc/87/94/16/193879416.db2.gz AIYZJHOJIXRNTG-CQSZACIVSA-N 0 0 427.570 3.921 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)n1 ZINC000009833474 193900148 /nfs/dbraw/zinc/90/01/48/193900148.db2.gz OYAOBPPUZWUKDC-HNNXBMFYSA-N 0 0 438.538 3.866 50 0 IHAARN CCOc1ccc(C(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009834041 193900512 /nfs/dbraw/zinc/90/05/12/193900512.db2.gz BEYJAVWNYGFDAX-KRWDZBQOSA-N 0 0 436.327 3.805 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000009837918 193903040 /nfs/dbraw/zinc/90/30/40/193903040.db2.gz VOYALZZXTZKFTM-UHFFFAOYSA-N 0 0 442.541 3.568 50 0 IHAARN Cc1cc(C(=O)CCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)s1 ZINC000009841616 193903711 /nfs/dbraw/zinc/90/37/11/193903711.db2.gz CGSZFDAJRIIXJM-UHFFFAOYSA-N 0 0 444.553 3.551 50 0 IHAARN CCc1cccc(N(CC)C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)c1 ZINC000009860792 193911075 /nfs/dbraw/zinc/91/10/75/193911075.db2.gz AYYFZFZXIVNROQ-UHFFFAOYSA-N 0 0 426.520 3.998 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1N1CCOCC1 ZINC000009368141 132231373 /nfs/dbraw/zinc/23/13/73/132231373.db2.gz MQPYZCUOTVVAGH-UHFFFAOYSA-N 0 0 449.580 3.771 50 0 IHAARN Cn1c2nc3n(c2c(=O)n(C/C=C/c2ccccc2)c1=O)CCCN3c1ccc(Cl)cc1 ZINC000009519015 132232708 /nfs/dbraw/zinc/23/27/08/132232708.db2.gz PPHNQAQIDODYDW-WEVVVXLNSA-N 0 0 447.926 3.805 50 0 IHAARN Cc1c(Cl)cccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000009519281 132233249 /nfs/dbraw/zinc/23/32/49/132233249.db2.gz OYIMEBGIUPEGDO-HNNXBMFYSA-N 0 0 449.942 3.695 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21)N1CCCc2ccccc21 ZINC000009829156 132241612 /nfs/dbraw/zinc/24/16/12/132241612.db2.gz YFTKUUGXNYTHFG-UHFFFAOYSA-N 0 0 445.504 3.592 50 0 IHAARN O=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000010220743 132243748 /nfs/dbraw/zinc/24/37/48/132243748.db2.gz ABSHAYCVAFWMSR-UHFFFAOYSA-N 0 0 433.533 3.639 50 0 IHAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000010220759 132243771 /nfs/dbraw/zinc/24/37/71/132243771.db2.gz ZHEBZKRYSKXMPR-UHFFFAOYSA-N 0 0 436.489 3.809 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001388024 132244856 /nfs/dbraw/zinc/24/48/56/132244856.db2.gz IPXFOOXJGNNMRI-UHFFFAOYSA-N 0 0 426.731 3.725 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000002626201 132255545 /nfs/dbraw/zinc/25/55/45/132255545.db2.gz IIIZDWDOISEPCG-UHFFFAOYSA-N 0 0 432.549 3.982 50 0 IHAARN CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1 ZINC000003290989 132263372 /nfs/dbraw/zinc/26/33/72/132263372.db2.gz IAXHOQBZVRYGKW-UHFFFAOYSA-N 0 0 444.560 3.948 50 0 IHAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000003370457 132264875 /nfs/dbraw/zinc/26/48/75/132264875.db2.gz AYEPBNAFVVDYOK-UHFFFAOYSA-N 0 0 442.928 3.537 50 0 IHAARN COc1cc(OC)c(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1Br ZINC000003880545 132268132 /nfs/dbraw/zinc/26/81/32/132268132.db2.gz BSRRXSFMMGCLFA-UHFFFAOYSA-N 0 0 433.346 3.991 50 0 IHAARN CC(=O)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000004122321 132270489 /nfs/dbraw/zinc/27/04/89/132270489.db2.gz OZIHEHFBATWIEV-UHFFFAOYSA-N 0 0 444.429 3.542 50 0 IHAARN CCCc1nc2sc3c(ncnc3N3CCN(C(=O)OCC)CC3)c2c2c1CCC2 ZINC000005155882 132275122 /nfs/dbraw/zinc/27/51/22/132275122.db2.gz UPTKLPIYHQPAAB-UHFFFAOYSA-N 0 0 425.558 3.959 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@H](C(=O)NCc3ccc(F)cc3)C1)C[C@@H](C)O2 ZINC000006842458 132279570 /nfs/dbraw/zinc/27/95/70/132279570.db2.gz ASSCVXAIOFQHFV-MJGOQNOKSA-N 0 0 425.504 3.870 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000006899506 132280045 /nfs/dbraw/zinc/28/00/45/132280045.db2.gz CXSLDIIJZQYXJW-UHFFFAOYSA-N 0 0 425.554 3.566 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccco2)Cc2cccs2)CC1 ZINC000008192924 132281082 /nfs/dbraw/zinc/28/10/82/132281082.db2.gz VJQFXPCBLJCXBH-UHFFFAOYSA-N 0 0 425.554 3.701 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(Cl)cc43)CC2)cc1 ZINC000008588404 132283027 /nfs/dbraw/zinc/28/30/27/132283027.db2.gz XHXFEECHLUXCBJ-UHFFFAOYSA-N 0 0 443.931 3.696 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)CC1 ZINC000008608377 132287405 /nfs/dbraw/zinc/28/74/05/132287405.db2.gz GXHPVONZWOYESV-UHFFFAOYSA-N 0 0 439.537 3.739 50 0 IHAARN C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008944170 132298461 /nfs/dbraw/zinc/29/84/61/132298461.db2.gz HINGKRMEOHQUMK-QFBILLFUSA-N 0 0 435.524 3.747 50 0 IHAARN O=C(CNc1ccccc1N1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008965534 132298734 /nfs/dbraw/zinc/29/87/34/132298734.db2.gz JRLKSRJJTYAIAR-UHFFFAOYSA-N 0 0 442.585 3.512 50 0 IHAARN CCN1CCN(c2c(Cl)cccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000009010363 132300685 /nfs/dbraw/zinc/30/06/85/132300685.db2.gz SPUIUHXVHIKDSZ-UHFFFAOYSA-N 0 0 433.936 3.760 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000009031661 132301106 /nfs/dbraw/zinc/30/11/06/132301106.db2.gz FWIBRKLNKPKIKI-OAHLLOKOSA-N 0 0 429.856 3.697 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)SCCO1 ZINC000009115095 132303613 /nfs/dbraw/zinc/30/36/13/132303613.db2.gz HOEFSYGYYXYCCW-UHFFFAOYSA-N 0 0 441.528 3.722 50 0 IHAARN O=C(c1ccc(C[S@@](=O)c2ccccc2Cl)o1)N1CCN(c2ccccn2)CC1 ZINC000009115523 132303759 /nfs/dbraw/zinc/30/37/59/132303759.db2.gz DJUKKYRXIRWOML-LJAQVGFWSA-N 0 0 429.929 3.598 50 0 IHAARN CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000009119066 132304637 /nfs/dbraw/zinc/30/46/37/132304637.db2.gz HJCYOOAGTPVQFE-UHFFFAOYSA-N 0 0 444.528 3.528 50 0 IHAARN O=C(Nc1ccccc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009127110 132305384 /nfs/dbraw/zinc/30/53/84/132305384.db2.gz UNIDWHJKAKOQNR-SFHVURJKSA-N 0 0 427.932 3.668 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1n[nH]c2c1CCCC2 ZINC000009130655 132305995 /nfs/dbraw/zinc/30/59/95/132305995.db2.gz RXVBGNBWENTSHG-UHFFFAOYSA-N 0 0 429.524 3.503 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000009190007 132307869 /nfs/dbraw/zinc/30/78/69/132307869.db2.gz SPTQPPLJPKRMCQ-SQUSKLHYSA-N 0 0 442.519 3.799 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000009204285 132308399 /nfs/dbraw/zinc/30/83/99/132308399.db2.gz AJHPHDFNIHWDPG-HSZRJFAPSA-N 0 0 431.511 3.516 50 0 IHAARN Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n21 ZINC000009251450 132310842 /nfs/dbraw/zinc/31/08/42/132310842.db2.gz WWQXMUARWONTNY-QGZVFWFLSA-N 0 0 449.942 3.521 50 0 IHAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000009265199 132311860 /nfs/dbraw/zinc/31/18/60/132311860.db2.gz WMUJLSXVLRJIJP-UHFFFAOYSA-N 0 0 445.454 3.577 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405660 132314972 /nfs/dbraw/zinc/31/49/72/132314972.db2.gz VVRCOPMOCSACFE-UHFFFAOYSA-N 0 0 440.544 3.594 50 0 IHAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)cc1 ZINC000009406960 132315800 /nfs/dbraw/zinc/31/58/00/132315800.db2.gz KZKQZYDCPHOGRV-CYBMUJFWSA-N 0 0 434.539 3.511 50 0 IHAARN Cc1cc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2c(C)cc(=O)oc2c1 ZINC000009433867 132317340 /nfs/dbraw/zinc/31/73/40/132317340.db2.gz NGDXOMWUXDEMDR-UHFFFAOYSA-N 0 0 426.900 3.791 50 0 IHAARN Cc1nn2c(nc3c(c2N2CCN(c4nc(C)cc(C)n4)CC2)CCC3)c1-c1ccccc1 ZINC000009435286 132317498 /nfs/dbraw/zinc/31/74/98/132317498.db2.gz PHZFWIAQCPLEHI-UHFFFAOYSA-N 0 0 439.567 3.927 50 0 IHAARN 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CC(=O)NCc1ccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)cc1 ZINC000024172459 519677110 /nfs/dbraw/zinc/67/71/10/519677110.db2.gz ACGVRNLLVJMWMD-UHFFFAOYSA-N 0 0 436.287 3.554 50 0 IHAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)N2CCOCC2)cc1 ZINC000033037268 519701713 /nfs/dbraw/zinc/70/17/13/519701713.db2.gz ZNFURRNLGIDEAV-UHFFFAOYSA-N 0 0 438.915 3.932 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)cc1 ZINC000020991743 519725944 /nfs/dbraw/zinc/72/59/44/519725944.db2.gz OEWYJHCVEHPRSF-UHFFFAOYSA-N 0 0 426.476 3.964 50 0 IHAARN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC1CCCC1 ZINC000012527089 519749652 /nfs/dbraw/zinc/74/96/52/519749652.db2.gz HQKABXVGKXXDOI-UHFFFAOYSA-N 0 0 437.606 3.684 50 0 IHAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)NCCc3ccc(F)cc3)cc2)cc1 ZINC000012568234 519758746 /nfs/dbraw/zinc/75/87/46/519758746.db2.gz WCTCHJOBHGIAMB-UHFFFAOYSA-N 0 0 435.451 3.934 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1 ZINC000021049461 519779640 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520212021 /nfs/dbraw/zinc/21/20/21/520212021.db2.gz XAOJTQIMEPSCHZ-UHFFFAOYSA-N 0 0 433.574 3.638 50 0 IHAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 ZINC000012484311 520352804 /nfs/dbraw/zinc/35/28/04/520352804.db2.gz FEWMSQQIJXGXPV-UHFFFAOYSA-N 0 0 436.295 3.779 50 0 IHAARN CCOC(=O)/C=C/c1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000016303900 520400072 /nfs/dbraw/zinc/40/00/72/520400072.db2.gz FZYGBQZDTDBMKT-IXDOJHRFSA-N 0 0 426.538 3.753 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2cc3c(nc2Cl)CCC3)CC1 ZINC000012196276 520461869 /nfs/dbraw/zinc/46/18/69/520461869.db2.gz FFPWRTVEBMELNC-QGZVFWFLSA-N 0 0 434.964 3.968 50 0 IHAARN CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000017027749 520474004 /nfs/dbraw/zinc/47/40/04/520474004.db2.gz OSMKFKYHUIUKJT-UHFFFAOYSA-N 0 0 435.502 3.692 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(C)c2C)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350060 520475310 /nfs/dbraw/zinc/47/53/10/520475310.db2.gz PHURNEOKTMAUKD-HSZRJFAPSA-N 0 0 445.523 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CCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021857773 520566079 /nfs/dbraw/zinc/56/60/79/520566079.db2.gz XLHVVKPYTXEKCQ-DEOSSOPVSA-N 0 0 427.545 3.732 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)CC1 ZINC000021365004 520573635 /nfs/dbraw/zinc/57/36/35/520573635.db2.gz RLLQXWPBAHVEDA-FQEVSTJZSA-N 0 0 449.507 3.979 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022853485 520582209 /nfs/dbraw/zinc/58/22/09/520582209.db2.gz AOEIHJUPVRUWDN-KRWDZBQOSA-N 0 0 432.521 3.562 50 0 IHAARN CCCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C ZINC000012214396 520639628 /nfs/dbraw/zinc/63/96/28/520639628.db2.gz VYGDTEVWHKMRRG-ZDUSSCGKSA-N 0 0 435.619 3.777 50 0 IHAARN CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1cc(COc3ccc(-n4cncn4)cc3)on1)=CC2 ZINC000012385260 520645637 /nfs/dbraw/zinc/64/56/37/520645637.db2.gz FGCLXEIALJFHSR-UWJYYQICSA-N 0 0 433.512 3.947 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc(OCC)c1OCC ZINC000019077672 520672287 /nfs/dbraw/zinc/67/22/87/520672287.db2.gz SVRLVIWXCZTPCO-UHFFFAOYSA-N 0 0 445.497 3.683 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C ZINC000011974829 520781329 /nfs/dbraw/zinc/78/13/29/520781329.db2.gz HIOKUAFZYBZGON-UHFFFAOYSA-N 0 0 425.554 3.705 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2csc(-c3ccccn3)n2)ccc1C ZINC000012477657 520783423 /nfs/dbraw/zinc/78/34/23/520783423.db2.gz YJZSFRXPDIBQMK-UHFFFAOYSA-N 0 0 445.566 3.901 50 0 IHAARN CCOC(=O)COc1ccc(F)cc1C(=O)c1ccn2nc(-c3ccc(OC)cc3)cc2n1 ZINC000021729311 520801974 /nfs/dbraw/zinc/80/19/74/520801974.db2.gz FVJSMXYNRLGTCO-UHFFFAOYSA-N 0 0 449.438 3.717 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021524304 520805858 /nfs/dbraw/zinc/80/58/58/520805858.db2.gz OLDSAUIOINIUAC-INIZCTEOSA-N 0 0 446.550 3.631 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)NC(=O)N1C ZINC000035707571 520817101 /nfs/dbraw/zinc/81/71/01/520817101.db2.gz RVWSNOXJZQPNFJ-FQEVSTJZSA-N 0 0 425.460 4.000 50 0 IHAARN CCOc1ccc(-c2nnc(NC(=O)c3cccc(I)c3)o2)cc1 ZINC000012806000 520823088 /nfs/dbraw/zinc/82/30/88/520823088.db2.gz LVFKPKGDMSZHLS-UHFFFAOYSA-N 0 0 435.221 3.992 50 0 IHAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 ZINC000021726275 520917431 /nfs/dbraw/zinc/91/74/31/520917431.db2.gz FVNFBOKBJFQWCV-QGZVFWFLSA-N 0 0 431.500 3.580 50 0 IHAARN CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC000021659285 520953169 /nfs/dbraw/zinc/95/31/69/520953169.db2.gz SFNHIKVBRFOJPU-UHFFFAOYSA-N 0 0 445.523 3.523 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O ZINC000012549982 520968289 /nfs/dbraw/zinc/96/82/89/520968289.db2.gz BJHQFCNRUHDBTL-NRFANRHFSA-N 0 0 444.329 3.943 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)CCc3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000012450003 520996968 /nfs/dbraw/zinc/99/69/68/520996968.db2.gz LLMFKHTZVWUGFE-UHFFFAOYSA-N 0 0 439.420 3.766 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4OC)nnc32)cc1 ZINC000017307759 521042620 /nfs/dbraw/zinc/04/26/20/521042620.db2.gz AVJCVTMZFDNDPF-UHFFFAOYSA-N 0 0 425.514 3.568 50 0 IHAARN CCOc1ccc(NC(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)C[C@H]2CCCO2)cc1 ZINC000035777028 521080518 /nfs/dbraw/zinc/08/05/18/521080518.db2.gz SYODAPFEPFAWAD-OAQYLSRUSA-N 0 0 448.541 3.637 50 0 IHAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C1CC1 ZINC000036049329 521087376 /nfs/dbraw/zinc/08/73/76/521087376.db2.gz RHBIMIOQGQPEJE-UHFFFAOYSA-N 0 0 448.523 3.896 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035948236 521090003 /nfs/dbraw/zinc/09/00/03/521090003.db2.gz ZBDJJUMURXRFAW-GOSISDBHSA-N 0 0 433.961 3.964 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000020563226 521108692 /nfs/dbraw/zinc/10/86/92/521108692.db2.gz MXLHLONGHAIQFO-KRWDZBQOSA-N 0 0 431.496 3.797 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000012431924 521181308 /nfs/dbraw/zinc/18/13/08/521181308.db2.gz UBBFEXWXRXVVAF-LJQANCHMSA-N 0 0 429.510 3.603 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000011873731 521183032 /nfs/dbraw/zinc/18/30/32/521183032.db2.gz DVNWCFRUULEIEY-XMMPIXPASA-N 0 0 438.549 3.812 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000023228742 521310010 /nfs/dbraw/zinc/31/00/10/521310010.db2.gz KVNOWEHDEBPTAJ-UHFFFAOYSA-N 0 0 427.400 3.786 50 0 IHAARN CCCc1cc(C(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)sc1C ZINC000012794814 521350316 /nfs/dbraw/zinc/35/03/16/521350316.db2.gz YGNXPPBBNJSECF-UHFFFAOYSA-N 0 0 429.542 3.925 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2c(C)nc3sccn32)C1 ZINC000012442122 521358626 /nfs/dbraw/zinc/35/86/26/521358626.db2.gz QOLAEMUDAKRYFA-QFIPXVFZSA-N 0 0 429.517 3.872 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C2CC2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000035993360 521363581 /nfs/dbraw/zinc/36/35/81/521363581.db2.gz PTMCDKYMCNVRMO-INIZCTEOSA-N 0 0 432.542 3.541 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000012682665 521381604 /nfs/dbraw/zinc/38/16/04/521381604.db2.gz RUYXQGVIUYUPBB-XMMPIXPASA-N 0 0 439.512 3.582 50 0 IHAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC ZINC000012248136 521418929 /nfs/dbraw/zinc/41/89/29/521418929.db2.gz LYJIVHNUDWLPIT-UHFFFAOYSA-N 0 0 434.525 3.595 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)C1CC1 ZINC000036040183 521432304 /nfs/dbraw/zinc/43/23/04/521432304.db2.gz WQYHKPFTDVCTRC-UHFFFAOYSA-N 0 0 437.565 3.664 50 0 IHAARN CCOc1cccc2c1cc(C(=O)N1CCN(c3ccccc3OC)CC1)n2CCOC ZINC000035928873 521434813 /nfs/dbraw/zinc/43/48/13/521434813.db2.gz MRWMVNDBQDAFGJ-UHFFFAOYSA-N 0 0 437.540 3.657 50 0 IHAARN CCOc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000022931149 521443611 /nfs/dbraw/zinc/44/36/11/521443611.db2.gz QFJVCZHROZGSDK-UHFFFAOYSA-N 0 0 449.555 3.508 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 ZINC000020761379 521490515 /nfs/dbraw/zinc/49/05/15/521490515.db2.gz NLTSKJVCPXMRTG-UHFFFAOYSA-N 0 0 449.507 3.657 50 0 biogenic IHAARN CCOC(=O)c1ccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000022043033 521496280 /nfs/dbraw/zinc/49/62/80/521496280.db2.gz JCIWQXDCQUHZJK-UHFFFAOYSA-N 0 0 431.539 3.650 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1 ZINC000021660179 521514208 /nfs/dbraw/zinc/51/42/08/521514208.db2.gz VDFFFOQDGPLLSA-UHFFFAOYSA-N 0 0 446.463 3.843 50 0 IHAARN CCOc1ccccc1N1CCN(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000012769477 521516023 /nfs/dbraw/zinc/51/60/23/521516023.db2.gz XEPNGMXBIAIITM-UHFFFAOYSA-N 0 0 433.556 3.649 50 0 IHAARN CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1cccc2ccccc21 ZINC000017098514 521516984 /nfs/dbraw/zinc/51/69/84/521516984.db2.gz XDAGMSJYSWXVGF-UDWIEESQSA-N 0 0 433.537 3.813 50 0 IHAARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)NCC ZINC000035809076 521531151 /nfs/dbraw/zinc/53/11/51/521531151.db2.gz JSDCALMKCPSKMF-UHFFFAOYSA-N 0 0 445.560 3.618 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 ZINC000021657131 521531421 /nfs/dbraw/zinc/53/14/21/521531421.db2.gz CEWTZFBGFLELBE-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(C)c1)CCN(Cc1ccccc1)C2 ZINC000035457206 521539494 /nfs/dbraw/zinc/53/94/94/521539494.db2.gz OOLMZTRWKUGOFH-UHFFFAOYSA-N 0 0 430.552 3.701 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2nn3c([nH]c(=O)cc3C)c2-c2ccc(OC)cc2)c1 ZINC000033123344 521545076 /nfs/dbraw/zinc/54/50/76/521545076.db2.gz NNTBDQWLVKYEOI-UHFFFAOYSA-N 0 0 446.463 3.848 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012731811 521545902 /nfs/dbraw/zinc/54/59/02/521545902.db2.gz UZMAIMZPQCOPHX-KRWDZBQOSA-N 0 0 438.524 3.778 50 0 IHAARN CCCC1N=NC(=S)N1CC(=O)N(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000021928595 521568543 /nfs/dbraw/zinc/56/85/43/521568543.db2.gz PQMVDMFZSOMVMW-UHFFFAOYSA-N 0 0 447.008 3.693 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000020445818 521573086 /nfs/dbraw/zinc/57/30/86/521573086.db2.gz CCLCBAAPVWSORI-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN CCCn1c(=O)[nH]nc1SCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000021244487 521614679 /nfs/dbraw/zinc/61/46/79/521614679.db2.gz KUCDPRSESXABLD-UHFFFAOYSA-N 0 0 427.555 3.856 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000012650991 521661621 /nfs/dbraw/zinc/66/16/21/521661621.db2.gz GONJCSLHYLEVFE-UHFFFAOYSA-N 0 0 434.945 3.571 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4ccc(Cl)cc4)SC3)ccc21 ZINC000012742422 521667993 /nfs/dbraw/zinc/66/79/93/521667993.db2.gz WDYMDVHVUBGLMX-UHFFFAOYSA-N 0 0 434.974 3.971 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)CCOc2ccc(C)cc2)n1Cc1ccccc1 ZINC000020912887 521694408 /nfs/dbraw/zinc/69/44/08/521694408.db2.gz JWUBLJCOJXZKDM-UHFFFAOYSA-N 0 0 427.570 3.544 50 0 IHAARN CCCN(Cn1nc(-c2ccc(Cl)cc2)n(CC)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012813250 521696514 /nfs/dbraw/zinc/69/65/14/521696514.db2.gz GPVNPKPUIGUODL-MRXNPFEDSA-N 0 0 429.011 3.611 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928203 521703081 /nfs/dbraw/zinc/70/30/81/521703081.db2.gz ZLWKNLVYAMCPRJ-FGZHOGPDSA-N 0 0 438.524 3.682 50 0 IHAARN CCOCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012584551 521711006 /nfs/dbraw/zinc/71/10/06/521711006.db2.gz NJMHAQDAKOKIJF-UHFFFAOYSA-N 0 0 445.368 3.880 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl ZINC000035963201 521739118 /nfs/dbraw/zinc/73/91/18/521739118.db2.gz HEWWZZSMWAFVLL-FQEVSTJZSA-N 0 0 428.920 3.688 50 0 IHAARN CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C2CCN(C(C)=O)CC2)cs1 ZINC000013113262 521847852 /nfs/dbraw/zinc/84/78/52/521847852.db2.gz WFARNJUDIYSNDS-UHFFFAOYSA-N 0 0 429.542 3.692 50 0 IHAARN CCc1ccccc1N1C(=O)c2cc(-c3ccccc3)nn2C[C@]1(C)C(=O)NCCCOC ZINC000021855303 521853169 /nfs/dbraw/zinc/85/31/69/521853169.db2.gz BSKIMPYSRHGAMB-AREMUKBSSA-N 0 0 446.551 3.684 50 0 IHAARN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464988 521858593 /nfs/dbraw/zinc/85/85/93/521858593.db2.gz XQQQCOOTVRENKX-APWZRJJASA-N 0 0 446.507 3.557 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000012919295 521862481 /nfs/dbraw/zinc/86/24/81/521862481.db2.gz BLTOXXVMMLCOEF-UHFFFAOYSA-N 0 0 436.917 3.688 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 ZINC000022515432 521862447 /nfs/dbraw/zinc/86/24/47/521862447.db2.gz DIVLHYQRJGMHFG-KRWDZBQOSA-N 0 0 431.964 3.699 50 0 IHAARN CCc1ccccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000020930762 521880095 /nfs/dbraw/zinc/88/00/95/521880095.db2.gz LNQWOTHRXCJCIF-ZIAGYGMSSA-N 0 0 432.567 3.873 50 0 IHAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)no2)cc(OC)c1OC ZINC000036012592 521896061 /nfs/dbraw/zinc/89/60/61/521896061.db2.gz FQWHJTDDBPJAOT-KRWDZBQOSA-N 0 0 442.468 3.782 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 ZINC000012139808 521980709 /nfs/dbraw/zinc/98/07/09/521980709.db2.gz JVKAVECSRSHJHG-UHFFFAOYSA-N 0 0 431.564 3.918 50 0 IHAARN COc1cc(/C=C\C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc(OC)c1OC ZINC000016838683 521982178 /nfs/dbraw/zinc/98/21/78/521982178.db2.gz GHXJVYBTSRKDPN-DAXSKMNVSA-N 0 0 439.420 3.853 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccc2ccccc2c1 ZINC000012927377 521991903 /nfs/dbraw/zinc/99/19/03/521991903.db2.gz SULGCCZSFRFUCU-UHFFFAOYSA-N 0 0 426.563 3.772 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c2ccccc2n(C(F)F)c1=S ZINC000012523423 521992035 /nfs/dbraw/zinc/99/20/35/521992035.db2.gz AAEKYKBCTAUFFH-UHFFFAOYSA-N 0 0 438.525 3.838 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1ccccc1I)c1ccccc1Cl ZINC000012748257 522026507 /nfs/dbraw/zinc/02/65/07/522026507.db2.gz IULJHMWDNQDULO-INIZCTEOSA-N 0 0 428.701 3.977 50 0 IHAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCc1cccc(F)c1 ZINC000012415115 522055802 /nfs/dbraw/zinc/05/58/02/522055802.db2.gz ZSVGAYMEHRQGNC-UHFFFAOYSA-N 0 0 429.517 3.613 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccnc1Cl ZINC000012408380 522059309 /nfs/dbraw/zinc/05/93/09/522059309.db2.gz PKECYDBGQFEYGB-UHFFFAOYSA-N 0 0 447.944 3.885 50 0 IHAARN COCCn1c(CN(CC(C)C)C(=O)CC(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030258 522066834 /nfs/dbraw/zinc/06/68/34/522066834.db2.gz JKXZIJHFCCJFQZ-UHFFFAOYSA-N 0 0 449.617 3.534 50 0 IHAARN COCCn1c(S[C@H](C)C(=O)Nc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O ZINC000012800460 522074001 /nfs/dbraw/zinc/07/40/01/522074001.db2.gz XMNNJGQDWMGMHC-CQSZACIVSA-N 0 0 447.582 3.849 50 0 IHAARN COc1cc(C(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000021151434 522118588 /nfs/dbraw/zinc/11/85/88/522118588.db2.gz BTBMOCZIVQFSQM-QFIPXVFZSA-N 0 0 449.551 3.580 50 0 IHAARN COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(Cl)c1OC ZINC000012756301 522163137 /nfs/dbraw/zinc/16/31/37/522163137.db2.gz HUDYHIZQZRBZLY-RYUDHWBXSA-N 0 0 425.938 3.675 50 0 IHAARN COc1cc(C(=O)[C@H]2CC(=O)Nc3n[nH]c(-c4ccc(OC)c(OC)c4)c32)ccc1F ZINC000035511556 522175103 /nfs/dbraw/zinc/17/51/03/522175103.db2.gz KWYXMTVMFXFGNU-ZDUSSCGKSA-N 0 0 425.416 3.550 50 0 IHAARN COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000013056301 522191505 /nfs/dbraw/zinc/19/15/05/522191505.db2.gz JIZJRNTYUVKVKA-UHFFFAOYSA-N 0 0 446.613 3.816 50 0 IHAARN COC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012193276 522254915 /nfs/dbraw/zinc/25/49/15/522254915.db2.gz KKMMHPGCZLCSIN-MRXNPFEDSA-N 0 0 444.478 3.700 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc(C)c1C ZINC000012614690 522263980 /nfs/dbraw/zinc/26/39/80/522263980.db2.gz AYIQFRHFSZMQBL-UHFFFAOYSA-N 0 0 429.567 3.573 50 0 IHAARN COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2c(C)c(-c3ccc(OC)cc3)nn21 ZINC000035684868 522279090 /nfs/dbraw/zinc/27/90/90/522279090.db2.gz WCIXJIGLYYOONA-GOSISDBHSA-N 0 0 434.452 3.825 50 0 IHAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)c1N ZINC000021115467 522353335 /nfs/dbraw/zinc/35/33/35/522353335.db2.gz MRCHABCZZMEANN-UHFFFAOYSA-N 0 0 440.459 3.724 50 0 IHAARN COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@@]32O)cc(OC)c1OC ZINC000012322849 522365228 /nfs/dbraw/zinc/36/52/28/522365228.db2.gz ICHRZXLXOHGBFZ-WMZHIEFXSA-N 0 0 434.602 3.984 50 0 IHAARN COc1cc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)ccc1OC(F)F ZINC000024573572 522410329 /nfs/dbraw/zinc/41/03/29/522410329.db2.gz GKTBAAHQPHEHJQ-UHFFFAOYSA-N 0 0 428.435 3.886 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1C ZINC000015864549 522430961 /nfs/dbraw/zinc/43/09/61/522430961.db2.gz IAPRVAFRAYZRIO-UHFFFAOYSA-N 0 0 446.550 3.564 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000022421293 522433263 /nfs/dbraw/zinc/43/32/63/522433263.db2.gz SBKNQBVGMFPASY-MOPGFXCFSA-N 0 0 438.572 3.910 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCCN(C(=O)C3CCC3)CC2)n1 ZINC000036025982 522469137 /nfs/dbraw/zinc/46/91/37/522469137.db2.gz QCDHPUXIBPCVGI-UHFFFAOYSA-N 0 0 432.572 3.834 50 0 IHAARN CN(CC(=O)NCCSCc1ccc(Br)s1)C(=O)c1ccccc1 ZINC000030201515 522478706 /nfs/dbraw/zinc/47/87/06/522478706.db2.gz ALYROPKVVDGCCC-UHFFFAOYSA-N 0 0 427.389 3.632 50 0 IHAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000012742180 522506067 /nfs/dbraw/zinc/50/60/67/522506067.db2.gz JQHBTKFUKVQJEX-UHFFFAOYSA-N 0 0 446.429 3.801 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000012633505 522517680 /nfs/dbraw/zinc/51/76/80/522517680.db2.gz YCFYYLXCOYHOAI-UHFFFAOYSA-N 0 0 435.702 3.501 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(OC)c1 ZINC000015728447 522531744 /nfs/dbraw/zinc/53/17/44/522531744.db2.gz REDWZANYUKXGCC-UHFFFAOYSA-N 0 0 428.919 3.592 50 0 IHAARN CCc1nc2sc([C@@H](c3ccccc3Cl)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853588 522536534 /nfs/dbraw/zinc/53/65/34/522536534.db2.gz GVBFJLQNHSKMGR-MRXNPFEDSA-N 0 0 434.949 3.687 50 0 IHAARN COc1cc(Cl)cc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)c1OC ZINC000012448533 522544759 /nfs/dbraw/zinc/54/47/59/522544759.db2.gz HJNIFFSXHRAOPF-NVVBAYIOSA-N 0 0 427.932 3.690 50 0 IHAARN COc1cc(NC(=O)CC[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc(OC)c1 ZINC000012715511 522656211 /nfs/dbraw/zinc/65/62/11/522656211.db2.gz XOVGVMZRBWCTLA-MRXNPFEDSA-N 0 0 430.574 3.847 50 0 IHAARN CC[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 ZINC000012762511 522700915 /nfs/dbraw/zinc/70/09/15/522700915.db2.gz QRLQTRCLKDVKKS-MRXNPFEDSA-N 0 0 434.265 3.672 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cc2=O)s1 ZINC000020961004 522709657 /nfs/dbraw/zinc/70/96/57/522709657.db2.gz BPFKJEVKGXBENY-UHFFFAOYSA-N 0 0 448.863 3.826 50 0 IHAARN CCc1nn2c(nnc3c2ccn(-c2cccc(OC)c2)c3=O)c1-c1ccc(OC)cc1 ZINC000020721401 522713877 /nfs/dbraw/zinc/71/38/77/522713877.db2.gz NEPHJESCRISSSM-UHFFFAOYSA-N 0 0 427.464 3.675 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)ccc1N1CCCC1=O ZINC000012508616 522753039 /nfs/dbraw/zinc/75/30/39/522753039.db2.gz YCUKTOHFTOICFQ-UHFFFAOYSA-N 0 0 439.331 3.694 50 0 IHAARN CCc1nnc(NC(=O)CSc2ccc3nc(-c4ccc(OC)cc4)cn3n2)s1 ZINC000020605184 522762498 /nfs/dbraw/zinc/76/24/98/522762498.db2.gz FFPRRBKPXSLIBI-UHFFFAOYSA-N 0 0 426.527 3.550 50 0 IHAARN COCC(=O)Nc1cc(C(=O)N(C)Cc2ccco2)cc2ncn(CCc3ccccc3)c21 ZINC000012160484 522780272 /nfs/dbraw/zinc/78/02/72/522780272.db2.gz FAUFXWAEVBIIEJ-UHFFFAOYSA-N 0 0 446.507 3.729 50 0 IHAARN CCc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012470167 522783193 /nfs/dbraw/zinc/78/31/93/522783193.db2.gz ARMRYNONARPNPF-MRXNPFEDSA-N 0 0 429.521 3.879 50 0 IHAARN COc1cc(OC)c(N2C[C@@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)cc1Cl ZINC000012791201 522796112 /nfs/dbraw/zinc/79/61/12/522796112.db2.gz QIICYWLCSVETAA-LBPRGKRZSA-N 0 0 445.928 3.983 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl ZINC000021973772 522801122 /nfs/dbraw/zinc/80/11/22/522801122.db2.gz HNYUWEKYSQJJHI-UHFFFAOYSA-N 0 0 425.190 3.830 50 0 IHAARN COc1cc(OC)c(NC(=O)N(Cc2ccco2)C2CCN(C(C)=O)CC2)cc1Cl ZINC000020532281 522805545 /nfs/dbraw/zinc/80/55/45/522805545.db2.gz GILFIQQZOOXXGX-UHFFFAOYSA-N 0 0 435.908 3.995 50 0 IHAARN COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1 ZINC000012415225 522841223 /nfs/dbraw/zinc/84/12/23/522841223.db2.gz NTGTXIKHMQSUAM-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000035378682 522857188 /nfs/dbraw/zinc/85/71/88/522857188.db2.gz SLHIGVBPDOTBNN-UHFFFAOYSA-N 0 0 449.463 3.753 50 0 IHAARN COC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000035264433 522889393 /nfs/dbraw/zinc/88/93/93/522889393.db2.gz APGKZKXGMIMOIY-KXBFYZLASA-N 0 0 437.462 3.617 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nncs1)CC2 ZINC000012747526 523039748 /nfs/dbraw/zinc/03/97/48/523039748.db2.gz BCYKNJUJOQJNFQ-HXUWFJFHSA-N 0 0 427.551 3.822 50 0 IHAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020713700 523073743 /nfs/dbraw/zinc/07/37/43/523073743.db2.gz UENSLQDVDCZTII-RMKNXTFCSA-N 0 0 446.547 3.900 50 0 IHAARN CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3ccon3)c21 ZINC000020204629 523084266 /nfs/dbraw/zinc/08/42/66/523084266.db2.gz NWVQMODUCVPYFD-UHFFFAOYSA-N 0 0 433.468 3.608 50 0 IHAARN CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1=O ZINC000021531260 523106485 /nfs/dbraw/zinc/10/64/85/523106485.db2.gz XCRFZSKBWHUSIW-UHFFFAOYSA-N 0 0 440.459 3.630 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc2c(c1)OCCO2)CCC3 ZINC000035586344 523106800 /nfs/dbraw/zinc/10/68/00/523106800.db2.gz AAOADKHNFOGATJ-UHFFFAOYSA-N 0 0 428.535 3.713 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2cccc(F)c2)c(C)n3C)cc1 ZINC000035448808 523123135 /nfs/dbraw/zinc/12/31/35/523123135.db2.gz PXIBZIVJSUXZBO-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN CCn1c(C)cc(O)c([C@H](c2ccccc2OC)N2CCN(c3ccccc3)CC2)c1=O ZINC000022696924 523141348 /nfs/dbraw/zinc/14/13/48/523141348.db2.gz FNHWNWUAVPNEIR-VWLOTQADSA-N 0 0 433.552 3.802 50 0 IHAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc5c(c4)OCO5)ccc3n2)cc1 ZINC000020605167 523146221 /nfs/dbraw/zinc/14/62/21/523146221.db2.gz PEQUJXLMMKAPGS-UHFFFAOYSA-N 0 0 434.477 3.864 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000035685346 523152535 /nfs/dbraw/zinc/15/25/35/523152535.db2.gz SMDNWEVMBAEECO-SFHVURJKSA-N 0 0 434.452 3.941 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000035685354 523153111 /nfs/dbraw/zinc/15/31/11/523153111.db2.gz RAVCLURBVFUJML-SFHVURJKSA-N 0 0 449.467 3.697 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000021688008 523165049 /nfs/dbraw/zinc/16/50/49/523165049.db2.gz SVVVZYNQFIHINM-SFHVURJKSA-N 0 0 437.565 3.930 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)N1CCc2ccccc21 ZINC000057291763 523170140 /nfs/dbraw/zinc/17/01/40/523170140.db2.gz AQECSUZOQJMEBJ-UHFFFAOYSA-N 0 0 449.580 3.777 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1O ZINC000012851366 523170453 /nfs/dbraw/zinc/17/04/53/523170453.db2.gz RMYLOOZBWMDJJB-UHFFFAOYSA-N 0 0 439.541 3.532 50 0 IHAARN COc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccc(F)cc4)c(=O)c23)cc1 ZINC000012771081 523173482 /nfs/dbraw/zinc/17/34/82/523173482.db2.gz JUIHGOMJWAEVBI-MRXNPFEDSA-N 0 0 426.469 3.713 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)COc1ccccc1C(N)=O ZINC000012875674 523194662 /nfs/dbraw/zinc/19/46/62/523194662.db2.gz HJVJMZOCNNPFSQ-UHFFFAOYSA-N 0 0 443.297 3.845 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N3)cc1 ZINC000020715463 523234998 /nfs/dbraw/zinc/23/49/98/523234998.db2.gz IRKMAHAJCUOHKQ-HNNXBMFYSA-N 0 0 432.267 3.783 50 0 IHAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000033300910 523239732 /nfs/dbraw/zinc/23/97/32/523239732.db2.gz AOSFSZOMJUACGR-UHFFFAOYSA-N 0 0 433.493 3.835 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(Cl)cc4)cc3=O)s2)cc1 ZINC000032996066 523249217 /nfs/dbraw/zinc/24/92/17/523249217.db2.gz CLPNGBAXNKJXIG-UHFFFAOYSA-N 0 0 441.900 3.802 50 0 IHAARN COCc1nnc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)s1 ZINC000021792531 523252095 /nfs/dbraw/zinc/25/20/95/523252095.db2.gz VRLZULCIPZFSKZ-UHFFFAOYSA-N 0 0 437.481 3.874 50 0 IHAARN CCn1c2cc(C)cc(C)c2s/c1=N/C(=O)CCS(=O)(=O)c1ccc(OC)cc1 ZINC000012631818 523257852 /nfs/dbraw/zinc/25/78/52/523257852.db2.gz FLQVBPSXSQEKNM-QURGRASLSA-N 0 0 432.567 3.639 50 0 IHAARN CCn1c2ccccc2c2nnc(NCCCN3CCN(c4ccccc4F)CC3)nc21 ZINC000020488444 523276814 /nfs/dbraw/zinc/27/68/14/523276814.db2.gz ZYFXZBVDZJDCCG-UHFFFAOYSA-N 0 0 433.535 3.763 50 0 IHAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012415233 523281401 /nfs/dbraw/zinc/28/14/01/523281401.db2.gz NBTCWAOSICHROS-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Br)cc3)n2)cc1OC ZINC000012654468 523284212 /nfs/dbraw/zinc/28/42/12/523284212.db2.gz MPSZXNHACXJQMO-UHFFFAOYSA-N 0 0 432.274 3.789 50 0 IHAARN COCCCN1CC(=O)N2C[C@@H](c3ccc(C)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873455 523295319 /nfs/dbraw/zinc/29/53/19/523295319.db2.gz MPBMZTAOQVLGGE-FNZWTVRRSA-N 0 0 431.536 3.544 50 0 biogenic IHAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)sc2=S)c(OC)c1 ZINC000012416103 523319102 /nfs/dbraw/zinc/31/91/02/523319102.db2.gz JOSDOBIIXFZYHC-UHFFFAOYSA-N 0 0 445.522 3.526 50 0 IHAARN CCn1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000012696018 523338779 /nfs/dbraw/zinc/33/87/79/523338779.db2.gz XYQRLUAPSYDKKN-QHCPKHFHSA-N 0 0 448.567 3.690 50 0 IHAARN COc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000022569443 523350582 /nfs/dbraw/zinc/35/05/82/523350582.db2.gz YTGKGWKDVAPKFL-UHFFFAOYSA-N 0 0 441.535 3.630 50 0 IHAARN CN(Cc1ccccc1Cl)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000012778481 523362310 /nfs/dbraw/zinc/36/23/10/523362310.db2.gz CJOZKJCMCWAGAC-UHFFFAOYSA-N 0 0 435.977 3.856 50 0 IHAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000012420224 523383259 /nfs/dbraw/zinc/38/32/59/523383259.db2.gz MSPAZMLQELKTSW-QJOMJCCJSA-N 0 0 440.503 3.701 50 0 IHAARN COc1ccc(/C=C/c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)cc1OC ZINC000033327503 523406049 /nfs/dbraw/zinc/40/60/49/523406049.db2.gz OHIPRMZXIXKSJE-PKNBQFBNSA-N 0 0 435.480 3.925 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccccc3)c(=O)c2n1 ZINC000020981789 523489684 /nfs/dbraw/zinc/48/96/84/523489684.db2.gz LULIACUFZYWRBV-UHFFFAOYSA-N 0 0 433.537 3.700 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccccc3C)C(C)C)CC2)cc1 ZINC000012739248 523574640 /nfs/dbraw/zinc/57/46/40/523574640.db2.gz YTJMZLQRNLHEPZ-HSZRJFAPSA-N 0 0 436.552 3.880 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N(CC)Cc3ccccc3)cc2NC1=O ZINC000020923106 523609434 /nfs/dbraw/zinc/60/94/34/523609434.db2.gz SAVKXVTYKWWXIM-IBGZPJMESA-N 0 0 446.594 3.722 50 0 IHAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC(C)C)cc1 ZINC000035766892 523610559 /nfs/dbraw/zinc/61/05/59/523610559.db2.gz PBNFOADDCJXZSV-QFIPXVFZSA-N 0 0 428.529 3.594 50 0 IHAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)C(C)(C)C)cc1 ZINC000035766776 523610839 /nfs/dbraw/zinc/61/08/39/523610839.db2.gz PPNPPTODCZMMGC-OAQYLSRUSA-N 0 0 428.529 3.737 50 0 IHAARN COC(=O)[C@@H](NC1CCN(c2cccc(NC(=O)c3ccncc3)c2)CC1)c1ccccc1 ZINC000014985331 523626288 /nfs/dbraw/zinc/62/62/88/523626288.db2.gz NBSZBGRXHPAJRH-DEOSSOPVSA-N 0 0 444.535 3.807 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1)C(=O)C1CC1 ZINC000035961912 523651151 /nfs/dbraw/zinc/65/11/51/523651151.db2.gz HGTRBJCENONMQT-XMMPIXPASA-N 0 0 449.551 3.566 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1)C(=O)NC(C)(C)C ZINC000035947271 523651300 /nfs/dbraw/zinc/65/13/00/523651300.db2.gz RNFMOLSJSSJAPU-LJQANCHMSA-N 0 0 444.507 3.553 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)CC(C)(C)C ZINC000035945888 523652840 /nfs/dbraw/zinc/65/28/40/523652840.db2.gz XMWPWMFSRCJKIX-QGZVFWFLSA-N 0 0 431.558 3.930 50 0 IHAARN CCn1ncc(Cl)c1CNC(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020602480 523691519 /nfs/dbraw/zinc/69/15/19/523691519.db2.gz TUVOEYAXPANEII-UHFFFAOYSA-N 0 0 440.857 3.822 50 0 IHAARN COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000012092683 523760622 /nfs/dbraw/zinc/76/06/22/523760622.db2.gz WADFQFBSWUYLLR-UHFFFAOYSA-N 0 0 432.524 3.940 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1OC ZINC000009659203 523762280 /nfs/dbraw/zinc/76/22/80/523762280.db2.gz MXRUIBDLYSZIRB-UHFFFAOYSA-N 0 0 447.463 3.550 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563411 523784649 /nfs/dbraw/zinc/78/46/49/523784649.db2.gz QZZZZHBGWBBOLU-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095365135 523787817 /nfs/dbraw/zinc/78/78/17/523787817.db2.gz DDMIPLVYZCGOQY-UHFFFAOYSA-N 0 0 431.286 3.845 50 0 IHAARN COc1ccc(C(N)=O)c(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012760208 523795354 /nfs/dbraw/zinc/79/53/54/523795354.db2.gz CRKKQQZXKIAJEZ-UHFFFAOYSA-N 0 0 438.524 3.764 50 0 IHAARN COc1ccc(C(NC(=O)CN2CCN(c3ccccc3)CC2)c2ccc(OC)cc2)cc1 ZINC000017283304 523796825 /nfs/dbraw/zinc/79/68/25/523796825.db2.gz AIUROYPPHVUYDM-UHFFFAOYSA-N 0 0 445.563 3.732 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(OC)cc2)C12CCCCC2 ZINC000020725127 523809789 /nfs/dbraw/zinc/80/97/89/523809789.db2.gz RXQYEFLCKIVWRB-QHCPKHFHSA-N 0 0 436.552 3.900 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766695 523820929 /nfs/dbraw/zinc/82/09/29/523820929.db2.gz OZZBCPGPKPUGTO-JOCHJYFZSA-N 0 0 449.576 3.919 50 0 IHAARN CC[C@H](C)C(=O)C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012459318 523822402 /nfs/dbraw/zinc/82/24/02/523822402.db2.gz BMKPAHDBCBRAQW-HNNXBMFYSA-N 0 0 434.964 3.997 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1 ZINC000033312845 523824457 /nfs/dbraw/zinc/82/44/57/523824457.db2.gz OHIPETAITUBKSY-RUZDIDTESA-N 0 0 435.568 3.800 50 0 IHAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000012613249 523835110 /nfs/dbraw/zinc/83/51/10/523835110.db2.gz JMHPCTFBLOUZFE-QHCPKHFHSA-N 0 0 432.524 3.995 50 0 IHAARN CN(C(=O)CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1C(=O)NCc1ccco1 ZINC000012623548 523840525 /nfs/dbraw/zinc/84/05/25/523840525.db2.gz XOEIRNCOSMYCLH-UHFFFAOYSA-N 0 0 447.520 3.750 50 0 IHAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000012606415 523845547 /nfs/dbraw/zinc/84/55/47/523845547.db2.gz DSRFTOJNUFJVGX-UHFFFAOYSA-N 0 0 442.522 3.905 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907235 523849495 /nfs/dbraw/zinc/84/94/95/523849495.db2.gz XKVYZNIMWPJALI-HXUWFJFHSA-N 0 0 426.538 3.675 50 0 IHAARN COc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000009516389 523876925 /nfs/dbraw/zinc/87/69/25/523876925.db2.gz IJEYNIUOMRZJKI-NRFANRHFSA-N 0 0 446.438 3.515 50 0 IHAARN COc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cc1OC ZINC000012781603 523911066 /nfs/dbraw/zinc/91/10/66/523911066.db2.gz RTEJUPZURMMRRE-UHFFFAOYSA-N 0 0 426.494 3.969 50 0 IHAARN CCc1ccc(CN(C)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000012756689 523919084 /nfs/dbraw/zinc/91/90/84/523919084.db2.gz AVIUIFABKCRNBR-UHFFFAOYSA-N 0 0 429.586 3.765 50 0 IHAARN CCc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021714404 523939152 /nfs/dbraw/zinc/93/91/52/523939152.db2.gz AECOZHBNRWSDME-RUZDIDTESA-N 0 0 448.588 3.989 50 0 IHAARN COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N3)cc1 ZINC000011665701 523949014 /nfs/dbraw/zinc/94/90/14/523949014.db2.gz BNHYKDGNGPKGSN-LJQANCHMSA-N 0 0 432.307 3.695 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)c2c(C)c(C)sc2NC(=O)C(C)(C)C)cc1 ZINC000017133406 523958201 /nfs/dbraw/zinc/95/82/01/523958201.db2.gz YKFKMZFTMSTGBO-UHFFFAOYSA-N 0 0 446.569 3.874 50 0 IHAARN CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000022350886 523970270 /nfs/dbraw/zinc/97/02/70/523970270.db2.gz XRBJVONKCSGORY-HNNXBMFYSA-N 0 0 428.476 3.811 50 0 IHAARN COc1ccc(CCc2nnc(CCC(=O)NCCCn3ccc4ccccc43)o2)cc1 ZINC000012449043 523984893 /nfs/dbraw/zinc/98/48/93/523984893.db2.gz RXVZBIUTXJPQPQ-UHFFFAOYSA-N 0 0 432.524 3.957 50 0 IHAARN COc1ccc(CCn2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)cc1 ZINC000012568113 523985837 /nfs/dbraw/zinc/98/58/37/523985837.db2.gz ALSCCEVJDGXXJT-UHFFFAOYSA-N 0 0 431.496 3.594 50 0 IHAARN COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000012920998 523987576 /nfs/dbraw/zinc/98/75/76/523987576.db2.gz ZVBORRDXBBHDMI-UHFFFAOYSA-N 0 0 442.581 3.596 50 0 IHAARN COc1ccc(CN2CCN(c3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)CC2)cc1 ZINC000020502838 524033690 /nfs/dbraw/zinc/03/36/90/524033690.db2.gz UDQHBQBZNCWDGE-NRFANRHFSA-N 0 0 428.536 3.720 50 0 IHAARN COc1ccc(CN2CCOCC2)cc1OCC[C@H]1CCCCN1C(=O)c1ccco1 ZINC000020601669 524035757 /nfs/dbraw/zinc/03/57/57/524035757.db2.gz PTDBKFONIFTHTJ-HXUWFJFHSA-N 0 0 428.529 3.584 50 0 IHAARN CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(I)cc1 ZINC000012416628 524047168 /nfs/dbraw/zinc/04/71/68/524047168.db2.gz VHGTVAZCSAJJRB-QGZVFWFLSA-N 0 0 444.276 3.676 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000012183046 524048202 /nfs/dbraw/zinc/04/82/02/524048202.db2.gz OHXNOLIVQRBCOB-QHCPKHFHSA-N 0 0 430.932 3.645 50 0 IHAARN CCc1ccc([C@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2cccc(F)c2)cc1 ZINC000012765479 524051324 /nfs/dbraw/zinc/05/13/24/524051324.db2.gz DVOXVSAXXAFMPB-NRFANRHFSA-N 0 0 427.501 3.947 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000020807164 524067793 /nfs/dbraw/zinc/06/77/93/524067793.db2.gz MVOPUHRFDKKYJK-UHFFFAOYSA-N 0 0 436.600 3.623 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)C1 ZINC000033264420 524076751 /nfs/dbraw/zinc/07/67/51/524076751.db2.gz GHWFYZUFDMBWEW-QHCPKHFHSA-N 0 0 434.584 3.785 50 0 IHAARN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)cc1F ZINC000012740115 524093553 /nfs/dbraw/zinc/09/35/53/524093553.db2.gz ZZJOMSQFLNJTQV-NSHDSACASA-N 0 0 427.373 3.789 50 0 IHAARN COc1ccc(CNc2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)n2)cc1 ZINC000021035875 524107432 /nfs/dbraw/zinc/10/74/32/524107432.db2.gz DJOROYULUPVUJG-UHFFFAOYSA-N 0 0 435.503 3.507 50 0 IHAARN Cc1cccc(-c2ccnc3nc(N4CCN(C(=O)c5cc(F)ccc5C)CC4)nn32)c1 ZINC000023455718 524109915 /nfs/dbraw/zinc/10/99/15/524109915.db2.gz HHUHIYGTIJGSTA-UHFFFAOYSA-N 0 0 430.487 3.510 50 0 IHAARN Cc1ccc(C)c(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020979582 524119227 /nfs/dbraw/zinc/11/92/27/524119227.db2.gz UVFURMYKUDCQCN-OALUTQOASA-N 0 0 438.471 3.930 50 0 IHAARN Cc1cccc(-c2nn3c(nc(CNC(=O)COc4ccccc4C(C)C)cc3=O)s2)c1 ZINC000041078173 524121845 /nfs/dbraw/zinc/12/18/45/524121845.db2.gz TYYGPUNGCAGFJS-UHFFFAOYSA-N 0 0 448.548 3.945 50 0 IHAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000020604317 524129135 /nfs/dbraw/zinc/12/91/35/524129135.db2.gz WPLCRYALBWYJRN-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cccc(-n2c3ncn(Cc4ccccc4F)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034692948 524139868 /nfs/dbraw/zinc/13/98/68/524139868.db2.gz HOVWSSGHMGSZOI-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O ZINC000022283665 524152082 /nfs/dbraw/zinc/15/20/82/524152082.db2.gz MKBRMXLSXVLYMV-OYLFLEFRSA-N 0 0 432.480 3.934 50 0 IHAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000035769039 524161183 /nfs/dbraw/zinc/16/11/83/524161183.db2.gz HGWKTRPFNHRZGP-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CCCC2)c1 ZINC000012918012 524184454 /nfs/dbraw/zinc/18/44/54/524184454.db2.gz DOXFNKYCWVYTRB-UHFFFAOYSA-N 0 0 440.565 3.921 50 0 IHAARN C[C@@H](C(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1 ZINC000020996714 524198288 /nfs/dbraw/zinc/19/82/88/524198288.db2.gz BBNBBRSUFKJKII-RDJZCZTQSA-N 0 0 434.458 3.513 50 0 IHAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@@H]3CCCO3)no2)c(C)c1 ZINC000036015784 524209357 /nfs/dbraw/zinc/20/93/57/524209357.db2.gz DEPARCFWBUCNIL-IBGZPJMESA-N 0 0 425.529 3.557 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 ZINC000012791658 524210236 /nfs/dbraw/zinc/21/02/36/524210236.db2.gz BDXOEEQVPSBHPN-IBGZPJMESA-N 0 0 436.430 3.950 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000020728920 524228848 /nfs/dbraw/zinc/22/88/48/524228848.db2.gz ZNZHUHNCLOPJHM-CQSZACIVSA-N 0 0 432.267 3.783 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000012364855 524248519 /nfs/dbraw/zinc/24/85/19/524248519.db2.gz QBYXNSNDXPZKOC-NSHDSACASA-N 0 0 431.739 3.896 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)c(=O)oc21 ZINC000012296877 524255301 /nfs/dbraw/zinc/25/53/01/524255301.db2.gz FELRFQSPJXFGGX-UHFFFAOYSA-N 0 0 445.471 3.912 50 0 biogenic IHAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NCCC(C)C)c3c2=O)cc1 ZINC000035399703 524263675 /nfs/dbraw/zinc/26/36/75/524263675.db2.gz FBZURJCSFZNUGT-UHFFFAOYSA-N 0 0 432.524 3.570 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccc(C)cc1)c(C)n2C ZINC000035448351 524270213 /nfs/dbraw/zinc/27/02/13/524270213.db2.gz SAKZBGGFAYATQN-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000017857109 524277499 /nfs/dbraw/zinc/27/74/99/524277499.db2.gz RTUHPXJVVMYCHN-UHFFFAOYSA-N 0 0 429.929 3.656 50 0 IHAARN COc1ccccc1-n1c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603310 524302481 /nfs/dbraw/zinc/30/24/81/524302481.db2.gz SGSJBFYPAQWMHO-UHFFFAOYSA-N 0 0 433.415 3.871 50 0 IHAARN Cc1cccc(C)c1OCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)COc1c(C)cccc1C ZINC000012289646 524307582 /nfs/dbraw/zinc/30/75/82/524307582.db2.gz GAXHQXXEYNUXTJ-VXKWHMMOSA-N 0 0 438.568 3.922 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1C ZINC000015882289 524317440 /nfs/dbraw/zinc/31/74/40/524317440.db2.gz CNYWGVXKRWXVKW-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907242 524326190 /nfs/dbraw/zinc/32/61/90/524326190.db2.gz OAEILHDWAOMALA-LJQANCHMSA-N 0 0 430.501 3.505 50 0 IHAARN Cc1cccc(C2=NC3(CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)NC2=O)c1 ZINC000033267534 524334480 /nfs/dbraw/zinc/33/44/80/524334480.db2.gz YQTVDGUEAYHCTG-UHFFFAOYSA-N 0 0 430.430 3.957 50 0 IHAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000021880339 524348706 /nfs/dbraw/zinc/34/87/06/524348706.db2.gz VENSSTAJZLZDEW-SFHVURJKSA-N 0 0 426.542 3.751 50 0 IHAARN C[C@@H](CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995569 524367084 /nfs/dbraw/zinc/36/70/84/524367084.db2.gz RXDHJZRLNGIGAL-KRWDZBQOSA-N 0 0 446.613 3.767 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000012568744 524369278 /nfs/dbraw/zinc/36/92/78/524369278.db2.gz ZTLUPUJZILJBDG-QMHKHESXSA-N 0 0 441.553 3.791 50 0 IHAARN C[C@H](CNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000021651124 524389455 /nfs/dbraw/zinc/38/94/55/524389455.db2.gz DJTJFUFDVUQLGY-CGKQSPDFSA-N 0 0 446.576 3.832 50 0 IHAARN COc1ccccc1CCN1Cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2OCC1=O ZINC000035886110 524411545 /nfs/dbraw/zinc/41/15/45/524411545.db2.gz HWZNZADEVAXHAW-UHFFFAOYSA-N 0 0 448.494 3.979 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccco2)CC1 ZINC000034724450 524419729 /nfs/dbraw/zinc/41/97/29/524419729.db2.gz JZTKAQQNFQDOND-UHFFFAOYSA-N 0 0 447.535 3.984 50 0 IHAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)o1 ZINC000021862451 524433461 /nfs/dbraw/zinc/43/34/61/524433461.db2.gz DCBWEEYYECZFGK-RUZDIDTESA-N 0 0 428.492 3.669 50 0 IHAARN COc1ccccc1CN1C[C@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC1=O ZINC000012057748 524454952 /nfs/dbraw/zinc/45/49/52/524454952.db2.gz MIBWTVOLECAVIP-MRXNPFEDSA-N 0 0 438.421 3.908 50 0 IHAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 ZINC000021858897 524474995 /nfs/dbraw/zinc/47/49/95/524474995.db2.gz XTMXKBPROVVQMW-AREMUKBSSA-N 0 0 443.503 3.974 50 0 IHAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 ZINC000021858901 524479183 /nfs/dbraw/zinc/47/91/83/524479183.db2.gz XTMXKBPROVVQMW-SANMLTNESA-N 0 0 443.503 3.974 50 0 IHAARN COc1ccccc1CNc1ncc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)n1 ZINC000021036141 524492864 /nfs/dbraw/zinc/49/28/64/524492864.db2.gz HPFHZRJPOWJLBA-UHFFFAOYSA-N 0 0 435.503 3.507 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383974 524492686 /nfs/dbraw/zinc/49/26/86/524492686.db2.gz BJYIMQPZJLUZFU-OVKIHRCZSA-N 0 0 438.483 3.526 50 0 IHAARN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000012932232 524506578 /nfs/dbraw/zinc/50/65/78/524506578.db2.gz HVDQITYHOBIYQX-UHFFFAOYSA-N 0 0 427.295 3.907 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl ZINC000022732374 524522334 /nfs/dbraw/zinc/52/23/34/524522334.db2.gz SJVMPEFTDIYTHE-CQSZACIVSA-N 0 0 428.963 3.982 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015670023 524543817 /nfs/dbraw/zinc/54/38/17/524543817.db2.gz XUULVJLSJIFWFQ-UHFFFAOYSA-N 0 0 426.904 3.680 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3cc4ccccc4[nH]3)o2)CC1 ZINC000021789812 524546180 /nfs/dbraw/zinc/54/61/80/524546180.db2.gz PIGNMOSYTGQBJW-UHFFFAOYSA-N 0 0 449.536 3.667 50 0 IHAARN COc1ccccc1N1CCN(C(=O)COc2cc(C)c(Br)c(C)c2)CC1 ZINC000001159583 524546218 /nfs/dbraw/zinc/54/62/18/524546218.db2.gz CNWXUDADIYICJE-UHFFFAOYSA-N 0 0 433.346 3.802 50 0 IHAARN COc1ccc(NC(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc1OC ZINC000035534271 524548581 /nfs/dbraw/zinc/54/85/81/524548581.db2.gz JJWQAVJXTBLDFG-UHFFFAOYSA-N 0 0 430.892 3.848 50 0 IHAARN COc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c(OC)c1 ZINC000033263694 524565297 /nfs/dbraw/zinc/56/52/97/524565297.db2.gz NQVCIJNDCIOWBN-UHFFFAOYSA-N 0 0 431.496 3.861 50 0 IHAARN Cc1cc(C)n2nc(C(=O)NC[C@H]3Cc4cc(Cl)cc(-c5ccncc5)c4O3)cc2n1 ZINC000012127287 524568997 /nfs/dbraw/zinc/56/89/97/524568997.db2.gz PNKFQSSDFQWSFA-GOSISDBHSA-N 0 0 433.899 3.795 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1C ZINC000012814604 524586667 /nfs/dbraw/zinc/58/66/67/524586667.db2.gz GAYSTQXTRBNOOD-UHFFFAOYSA-N 0 0 443.494 3.531 50 0 IHAARN Cc1cc(C)nc(SCc2c(C(=O)NCc3cccs3)nnn2-c2ccccc2)n1 ZINC000035590711 524599840 /nfs/dbraw/zinc/59/98/40/524599840.db2.gz SSHAZDUIFNYESI-UHFFFAOYSA-N 0 0 436.566 3.958 50 0 IHAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000012449435 524616436 /nfs/dbraw/zinc/61/64/36/524616436.db2.gz QRYHYAPSIUJTRQ-UHFFFAOYSA-N 0 0 448.527 3.727 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 ZINC000035900268 524624664 /nfs/dbraw/zinc/62/46/64/524624664.db2.gz AZDCWFCABWWOPR-FTIBCMOBSA-N 0 0 446.503 3.571 50 0 IHAARN COc1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000023993993 524651652 /nfs/dbraw/zinc/65/16/52/524651652.db2.gz ZLJXARZVWGLJLU-FQEVSTJZSA-N 0 0 444.491 3.579 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)CC2)on1 ZINC000021437699 524694063 /nfs/dbraw/zinc/69/40/63/524694063.db2.gz QFVQEZDHELJKHF-UHFFFAOYSA-N 0 0 444.539 3.934 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000022478734 524729956 /nfs/dbraw/zinc/72/99/56/524729956.db2.gz CPTVSBOUWJMYHC-UHFFFAOYSA-N 0 0 439.987 3.778 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2csc(-c3ccncc3)n2)CC1 ZINC000035512091 524734571 /nfs/dbraw/zinc/73/45/71/524734571.db2.gz ZXUVPUFEVNWWQG-UHFFFAOYSA-N 0 0 441.988 3.719 50 0 IHAARN Cc1cc(CNC(=O)c2c(=O)cc(C)n(Cc3ccccn3)c2Cc2ccccc2C)on1 ZINC000012242865 524743984 /nfs/dbraw/zinc/74/39/84/524743984.db2.gz PNEHMWCRCVCWEL-UHFFFAOYSA-N 0 0 442.519 3.726 50 0 IHAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)C1=O ZINC000015858444 524749305 /nfs/dbraw/zinc/74/93/05/524749305.db2.gz APOTUDUWIPTJOW-JTQLQIEISA-N 0 0 446.834 3.924 50 0 IHAARN COc1ccccc1[C@@H]1CN(CCNC(=O)c2cn3ccsc3n2)Cc2ccccc2O1 ZINC000012246515 524762648 /nfs/dbraw/zinc/76/26/48/524762648.db2.gz APVXDVKHLFWVHU-QFIPXVFZSA-N 0 0 448.548 3.770 50 0 IHAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)c2cc(C)n[nH]2)C3)c1 ZINC000011910505 524790434 /nfs/dbraw/zinc/79/04/34/524790434.db2.gz UJAITXWTKJSRBJ-MRXNPFEDSA-N 0 0 427.888 3.789 50 0 IHAARN COc1ccc(OC)c(/C=C\C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000033690841 524799622 /nfs/dbraw/zinc/79/96/22/524799622.db2.gz QRJLJPWGKFFAPF-KMKOMSMNSA-N 0 0 425.359 3.798 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531106 524819419 /nfs/dbraw/zinc/81/94/19/524819419.db2.gz SXTLCKDKEJNZJW-XMMPIXPASA-N 0 0 430.504 3.760 50 0 IHAARN Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)c1 ZINC000012560648 524824478 /nfs/dbraw/zinc/82/44/78/524824478.db2.gz XNZVYIMYOMJFRE-UHFFFAOYSA-N 0 0 428.441 3.916 50 0 IHAARN Cc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000012854651 524891377 /nfs/dbraw/zinc/89/13/77/524891377.db2.gz UDVZEDWJQBSIMY-UHFFFAOYSA-N 0 0 449.576 3.539 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059518 524896401 /nfs/dbraw/zinc/89/64/01/524896401.db2.gz ZTCNLZVJXVGWGD-XZOQPEGZSA-N 0 0 438.568 3.951 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c1 ZINC000036045283 524898186 /nfs/dbraw/zinc/89/81/86/524898186.db2.gz YONPYYGRRBHOQI-SFTDATJTSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059517 524915289 /nfs/dbraw/zinc/91/52/89/524915289.db2.gz ZTCNLZVJXVGWGD-DHIUTWEWSA-N 0 0 438.568 3.951 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c1 ZINC000036045281 524917439 /nfs/dbraw/zinc/91/74/39/524917439.db2.gz YONPYYGRRBHOQI-RTWAWAEBSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)cc1 ZINC000020573947 524919852 /nfs/dbraw/zinc/91/98/52/524919852.db2.gz BZVNAADWPVNIOU-RUZDIDTESA-N 0 0 443.528 3.913 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)cc1 ZINC000020573946 524922039 /nfs/dbraw/zinc/92/20/39/524922039.db2.gz BZVNAADWPVNIOU-VWLOTQADSA-N 0 0 443.528 3.913 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NC2(c3ccccc3)CC2)c1 ZINC000012203609 524926884 /nfs/dbraw/zinc/92/68/84/524926884.db2.gz YWCWKQUHEACRSK-UHFFFAOYSA-N 0 0 434.536 3.894 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)CC2=O)cc1 ZINC000009668533 524983421 /nfs/dbraw/zinc/98/34/21/524983421.db2.gz QEVTVEMSZGNDKY-QGZVFWFLSA-N 0 0 441.478 3.503 50 0 IHAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012911147 524991157 /nfs/dbraw/zinc/99/11/57/524991157.db2.gz XAYKHHHBHUPCBM-NJTIBFSMSA-N 0 0 441.575 3.745 50 0 IHAARN COc1ccc(Oc2cc(N3CCN(C(=O)COCc4ccccc4)[C@H](C)C3)ncn2)cc1 ZINC000035931537 524992075 /nfs/dbraw/zinc/99/20/75/524992075.db2.gz ZSKGCXOIWDQLEM-LJQANCHMSA-N 0 0 448.523 3.531 50 0 IHAARN Cc1cc(F)ccc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000021785716 524995650 /nfs/dbraw/zinc/99/56/50/524995650.db2.gz AYKOEVDHNZBGHS-UHFFFAOYSA-N 0 0 427.501 3.872 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 ZINC000022906742 525006771 /nfs/dbraw/zinc/00/67/71/525006771.db2.gz OUECEQOMVUDCFC-XMMPIXPASA-N 0 0 428.536 3.553 50 0 IHAARN Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1cccc(C(F)(F)F)c1)c2=O ZINC000012237635 525034068 /nfs/dbraw/zinc/03/40/68/525034068.db2.gz GMAGBZWHEISIES-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000012567512 525043010 /nfs/dbraw/zinc/04/30/10/525043010.db2.gz WGSUVXASTATTGA-UHFFFAOYSA-N 0 0 446.532 3.531 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)cc1C ZINC000020582680 525082501 /nfs/dbraw/zinc/08/25/01/525082501.db2.gz PTCSZNHFBBCRJS-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1 ZINC000012744951 525082769 /nfs/dbraw/zinc/08/27/69/525082769.db2.gz MUTUNNBLXRSTMU-MRXNPFEDSA-N 0 0 446.393 3.820 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccco2)cc1 ZINC000015781098 525092226 /nfs/dbraw/zinc/09/22/26/525092226.db2.gz IPBVBPRGUNIYOY-FQEVSTJZSA-N 0 0 449.912 3.652 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)c(C)c1 ZINC000021157992 525100269 /nfs/dbraw/zinc/10/02/69/525100269.db2.gz RPBOBVRFTYNZCZ-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccccc2)n1 ZINC000012902197 525132825 /nfs/dbraw/zinc/13/28/25/525132825.db2.gz VHTUWNFGLXBBSW-UHFFFAOYSA-N 0 0 446.338 3.997 50 0 IHAARN Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000035531529 525149269 /nfs/dbraw/zinc/14/92/69/525149269.db2.gz NTMLXMSUZZSXFP-UHFFFAOYSA-N 0 0 438.952 3.895 50 0 IHAARN Cc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4C)n3n2)CC1 ZINC000033260204 525149277 /nfs/dbraw/zinc/14/92/77/525149277.db2.gz ITCLFKYSOOPRNX-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c(Br)c1 ZINC000012909794 525189478 /nfs/dbraw/zinc/18/94/78/525189478.db2.gz WJFSULMBEUNJPQ-CQSZACIVSA-N 0 0 436.375 3.604 50 0 IHAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000012748689 525224474 /nfs/dbraw/zinc/22/44/74/525224474.db2.gz LHLDBJYIFBCQJG-UHFFFAOYSA-N 0 0 432.571 3.630 50 0 IHAARN CS(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035776992 525230237 /nfs/dbraw/zinc/23/02/37/525230237.db2.gz STCXQTHNXXKPBT-LJQANCHMSA-N 0 0 438.933 3.892 50 0 IHAARN CS(=O)(=O)c1ncc(CN2CCC[C@@H](c3ccccc3)C2)n1Cc1ccccc1F ZINC000020998519 525284232 /nfs/dbraw/zinc/28/42/32/525284232.db2.gz GETALRFPEDVHNQ-LJQANCHMSA-N 0 0 427.545 3.854 50 0 IHAARN Cc1ccccc1OCCn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000012532330 525305821 /nfs/dbraw/zinc/30/58/21/525305821.db2.gz HJSJNAAWMQFQBV-UHFFFAOYSA-N 0 0 444.535 3.911 50 0 IHAARN Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1C ZINC000022698839 525327071 /nfs/dbraw/zinc/32/70/71/525327071.db2.gz XQWJWYKVYUBNCH-UHFFFAOYSA-N 0 0 443.555 3.920 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000012731228 525334054 /nfs/dbraw/zinc/33/40/54/525334054.db2.gz WFLOSUDEVSEJPI-YLJYHZDGSA-N 0 0 438.549 3.788 50 0 IHAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000012889619 525345769 /nfs/dbraw/zinc/34/57/69/525345769.db2.gz KEZZOYGAELCADU-YLJYHZDGSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000012782444 525370079 /nfs/dbraw/zinc/37/00/79/525370079.db2.gz HZRBDGBPOPEQEV-UHFFFAOYSA-N 0 0 432.828 3.693 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000015865511 525395874 /nfs/dbraw/zinc/39/58/74/525395874.db2.gz RIXFSZYXRYYCNC-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1 ZINC000012360848 525438134 /nfs/dbraw/zinc/43/81/34/525438134.db2.gz SDAVSHBEXSOEJO-DHLKQENFSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN Cc1nc2[nH]c(NCc3ccccc3)nn2c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000021803933 525449847 /nfs/dbraw/zinc/44/98/47/525449847.db2.gz LNSOXBNZLOYKEX-UHFFFAOYSA-N 0 0 436.903 3.563 50 0 IHAARN COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)Nc4cccc(SC)c4)CC3)c2c1 ZINC000021888624 525486711 /nfs/dbraw/zinc/48/67/11/525486711.db2.gz GHVOILOCKWNYDS-UHFFFAOYSA-N 0 0 438.553 3.931 50 0 IHAARN COc1ccc2c(CCNC(=O)COc3cc(C)cc4oc(=O)c(C)c(C)c34)c[nH]c2c1 ZINC000012895614 525502563 /nfs/dbraw/zinc/50/25/63/525502563.db2.gz LVPDJJAUHWJOOS-UHFFFAOYSA-N 0 0 434.492 3.946 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCSc4ccccc43)CC2)cc1 ZINC000012772287 525518853 /nfs/dbraw/zinc/51/88/53/525518853.db2.gz PKEGFOUHYONHHN-UHFFFAOYSA-N 0 0 430.595 3.925 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 ZINC000012522321 525520022 /nfs/dbraw/zinc/52/00/22/525520022.db2.gz JYWHQROZQIGCJL-UHFFFAOYSA-N 0 0 427.570 3.635 50 0 IHAARN C[C@@H]1Cc2cc(C3=NNC(=Nc4ccc(Cl)cc4)SC3)ccc2N1S(C)(=O)=O ZINC000012797677 525520129 /nfs/dbraw/zinc/52/01/29/525520129.db2.gz KQWHBKTVLJVVFI-GFCCVEGCSA-N 0 0 434.974 3.970 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1C ZINC000012926353 525520842 /nfs/dbraw/zinc/52/08/42/525520842.db2.gz OKJJRNXJJKZURT-FQEVSTJZSA-N 0 0 428.598 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000034718957 525527216 /nfs/dbraw/zinc/52/72/16/525527216.db2.gz DRVMPLKWLVCKEJ-YFHOEESVSA-N 0 0 428.510 3.550 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1ccco1)C2 ZINC000035871688 525550864 /nfs/dbraw/zinc/55/08/64/525550864.db2.gz QWHGJJNMUUWAIW-ISKFKSNPSA-N 0 0 435.499 3.611 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cc(F)ccc4F)sc3C2)cc1 ZINC000021654682 525554355 /nfs/dbraw/zinc/55/43/55/525554355.db2.gz PTTOACUHPAMTQJ-UHFFFAOYSA-N 0 0 449.504 3.729 50 0 IHAARN CSCC[C@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000012818011 525558007 /nfs/dbraw/zinc/55/80/07/525558007.db2.gz LZUWOZFMXDXUCZ-OFQRWUPVSA-N 0 0 431.583 3.556 50 0 IHAARN Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020464729 525609896 /nfs/dbraw/zinc/60/98/96/525609896.db2.gz WRFBRGZXHYOQAZ-UHFFFAOYSA-N 0 0 440.540 3.861 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1F ZINC000012630385 525612012 /nfs/dbraw/zinc/61/20/12/525612012.db2.gz UBBLZYMVLDDEGJ-HXUWFJFHSA-N 0 0 445.516 3.561 50 0 IHAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4ccccc4OC)CC3)[nH]c2c1 ZINC000035561986 525619969 /nfs/dbraw/zinc/61/99/69/525619969.db2.gz MRKXGWWVQCFCEQ-UHFFFAOYSA-N 0 0 435.524 3.744 50 0 IHAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(OC)c4)CC3)[nH]c2c1 ZINC000035561987 525620925 /nfs/dbraw/zinc/62/09/25/525620925.db2.gz RCTYSXUWHZEQCF-UHFFFAOYSA-N 0 0 435.524 3.744 50 0 IHAARN Cc1c(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)cnn1-c1nccc(-c2ccco2)n1 ZINC000012210640 525635724 /nfs/dbraw/zinc/63/57/24/525635724.db2.gz WOFUGWACRKVPIU-KRWDZBQOSA-N 0 0 428.374 3.659 50 0 IHAARN Cc1c(C(=O)N[C@H](c2cccnc2)C(F)(F)F)cnn1-c1nccc(-c2ccco2)n1 ZINC000012210645 525644291 /nfs/dbraw/zinc/64/42/91/525644291.db2.gz WOFUGWACRKVPIU-QGZVFWFLSA-N 0 0 428.374 3.659 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1 ZINC000012441328 525654717 /nfs/dbraw/zinc/65/47/17/525654717.db2.gz CHMIMHFYSIASQQ-UHFFFAOYSA-N 0 0 442.472 3.662 50 0 IHAARN Cc1cc2nc(COc3cc(NC(=O)COc4ccc(F)cc4)ccc3C)cc(=O)n2o1 ZINC000035428427 525671702 /nfs/dbraw/zinc/67/17/02/525671702.db2.gz UMVGYDLTFGJZEF-UHFFFAOYSA-N 0 0 437.427 3.640 50 0 IHAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12 ZINC000020589251 525672649 /nfs/dbraw/zinc/67/26/49/525672649.db2.gz KQVYHFXBNAMWLQ-UHFFFAOYSA-N 0 0 436.508 3.568 50 0 IHAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1C ZINC000012794641 525675236 /nfs/dbraw/zinc/67/52/36/525675236.db2.gz GVHPPJLXYSWRGH-UHFFFAOYSA-N 0 0 428.598 3.946 50 0 IHAARN Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccccc3C)cc(=O)n2o1 ZINC000041089677 525675668 /nfs/dbraw/zinc/67/56/68/525675668.db2.gz QHIVNMXCEJUFSB-UHFFFAOYSA-N 0 0 441.534 3.997 50 0 IHAARN Cc1c(C)n(-c2cc(Cl)ccc2C)c2ncn(CCC(=O)NCc3cccnc3)c(=O)c12 ZINC000032999273 525676570 /nfs/dbraw/zinc/67/65/70/525676570.db2.gz YIQALUGBEFQQAU-UHFFFAOYSA-N 0 0 449.942 3.867 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 ZINC000020241969 525724450 /nfs/dbraw/zinc/72/44/50/525724450.db2.gz KXMISFNZOIUNND-ZRGWGRIASA-N 0 0 434.558 3.514 50 0 IHAARN Cc1c(Cl)c(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)nc2ccccc12 ZINC000012895380 525742310 /nfs/dbraw/zinc/74/23/10/525742310.db2.gz FJSAPTBRWVDPEN-HSZRJFAPSA-N 0 0 437.883 3.935 50 0 IHAARN COc1cccc(-n2cc(C(=O)Nc3ccc(NC(C)=O)nc3)c3ccccc3c2=O)c1 ZINC000020509080 525751805 /nfs/dbraw/zinc/75/18/05/525751805.db2.gz AXTPRMKMJKVERP-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN COc1cccc(-n2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)c2=O)c1 ZINC000021154024 525752977 /nfs/dbraw/zinc/75/29/77/525752977.db2.gz QPEMOXDHUBECQO-UHFFFAOYSA-N 0 0 435.427 3.991 50 0 IHAARN Cc1ccsc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000022643431 525820815 /nfs/dbraw/zinc/82/08/15/525820815.db2.gz MOBUHXQWVYASSO-UHFFFAOYSA-N 0 0 442.512 3.686 50 0 IHAARN COc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c32)c1 ZINC000012589106 525831688 /nfs/dbraw/zinc/83/16/88/525831688.db2.gz VVUPRDUAUVUCEG-UHFFFAOYSA-N 0 0 425.510 3.646 50 0 IHAARN C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009662247 525882244 /nfs/dbraw/zinc/88/22/44/525882244.db2.gz HUJNDRFWWOZEEX-INIZCTEOSA-N 0 0 439.537 3.636 50 0 IHAARN C[C@@H](OC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCc2ccccc21 ZINC000012911252 525891777 /nfs/dbraw/zinc/89/17/77/525891777.db2.gz SNLPQDDMPRIANC-KIYBLHRFSA-N 0 0 438.568 3.619 50 0 IHAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)cc1C ZINC000012588527 525891642 /nfs/dbraw/zinc/89/16/42/525891642.db2.gz FUBSIMYTBDEBSI-HXUWFJFHSA-N 0 0 442.610 3.764 50 0 IHAARN C[C@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012736802 525892223 /nfs/dbraw/zinc/89/22/23/525892223.db2.gz ADNUMCHGQUMZLQ-HNNXBMFYSA-N 0 0 431.448 3.619 50 0 IHAARN Cc1ccc(-n2nc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2=O)cc1C ZINC000033125157 525930275 /nfs/dbraw/zinc/93/02/75/525930275.db2.gz PWFPRQLLKLMSAF-UHFFFAOYSA-N 0 0 433.386 3.765 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)N(C)Cc1ccccc1)nc2C ZINC000020563884 525934254 /nfs/dbraw/zinc/93/42/54/525934254.db2.gz MGNABBSCFYVZFW-UHFFFAOYSA-N 0 0 443.551 3.946 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(C(=O)NCCC(C)C)CC1)nnc2C ZINC000020987754 525935428 /nfs/dbraw/zinc/93/54/28/525935428.db2.gz ZKNRXYTXMPTTRW-UHFFFAOYSA-N 0 0 435.576 3.618 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1C)c(=O)n(CC(=O)NCc1ccccc1Cl)nc2C ZINC000020413812 525935517 /nfs/dbraw/zinc/93/55/17/525935517.db2.gz VWOWVEJKJLPZHZ-UHFFFAOYSA-N 0 0 449.942 3.786 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccco1)N1CCOCC1 ZINC000020648220 525940230 /nfs/dbraw/zinc/94/02/30/525940230.db2.gz GSBYKYHKLVTHDM-MRXNPFEDSA-N 0 0 433.302 3.900 50 0 IHAARN Cc1cn2c(nc(COc3ccc(NC(=O)COc4cccc(C)c4)cc3)cc2=O)s1 ZINC000041085611 525941510 /nfs/dbraw/zinc/94/15/10/525941510.db2.gz GEQJTEVVIGUPBC-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN CSc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)cc4)c3=O)n2)cc1 ZINC000033293062 525948589 /nfs/dbraw/zinc/94/85/89/525948589.db2.gz REMBNGLBQXIPDD-UHFFFAOYSA-N 0 0 430.493 3.711 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)N2CCOCC2)o1 ZINC000040132007 525959417 /nfs/dbraw/zinc/95/94/17/525959417.db2.gz SSSUXELEPPSDMZ-KNQAVFIVSA-N 0 0 435.524 3.926 50 0 IHAARN C[C@@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 ZINC000017040280 525962414 /nfs/dbraw/zinc/96/24/14/525962414.db2.gz JVSOXRZAILJPMM-CHWSQXEVSA-N 0 0 442.472 3.815 50 0 IHAARN COc1cccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)c1 ZINC000021885765 525967477 /nfs/dbraw/zinc/96/74/77/525967477.db2.gz WGCHQPMJPUEVRC-UHFFFAOYSA-N 0 0 430.508 3.519 50 0 IHAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(OC)c(F)c3)C2)c1 ZINC000012431715 525967722 /nfs/dbraw/zinc/96/77/22/525967722.db2.gz HWZYHLQHJIUTGT-KRWDZBQOSA-N 0 0 428.504 3.792 50 0 IHAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cccnc3SC)C2)c1 ZINC000012432796 525968015 /nfs/dbraw/zinc/96/80/15/525968015.db2.gz SDXZWWNLRGVPMU-QGZVFWFLSA-N 0 0 427.570 3.761 50 0 IHAARN Cc1c2cccc(F)c2oc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009666831 525972341 /nfs/dbraw/zinc/97/23/41/525972341.db2.gz ISAIWIVIOMFSNB-UHFFFAOYSA-N 0 0 430.501 3.726 50 0 IHAARN CSc1ccc(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000021528109 525984241 /nfs/dbraw/zinc/98/42/41/525984241.db2.gz SKLQDYBWSRKACT-UHFFFAOYSA-N 0 0 426.494 3.668 50 0 IHAARN CSc1ccc(CN(C)C(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 ZINC000022442263 525986114 /nfs/dbraw/zinc/98/61/14/525986114.db2.gz CUARZIWSTXZWIG-KRWDZBQOSA-N 0 0 436.375 3.929 50 0 IHAARN CSc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012797411 525986193 /nfs/dbraw/zinc/98/61/93/525986193.db2.gz PCWNMTBHMKAJMQ-UHFFFAOYSA-N 0 0 432.611 3.784 50 0 IHAARN CSc1ccc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000012521771 526010084 /nfs/dbraw/zinc/01/00/84/526010084.db2.gz CBTSNMFFEWSHOL-UHFFFAOYSA-N 0 0 433.961 3.609 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000012916747 526073226 /nfs/dbraw/zinc/07/32/26/526073226.db2.gz KATKAYJUDLAKGZ-SFHVURJKSA-N 0 0 440.503 3.868 50 0 IHAARN COc1cccc(N(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2nc3ccccc3s2)c1 ZINC000018192850 526127796 /nfs/dbraw/zinc/12/77/96/526127796.db2.gz GDKOTNQVBOOKBC-QZTJIDSGSA-N 0 0 447.516 3.921 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1cc(Cl)c3c(c1)OCCO3)C2=O ZINC000022586824 526141612 /nfs/dbraw/zinc/14/16/12/526141612.db2.gz MCULHCTXMXJURK-UHFFFAOYSA-N 0 0 429.856 3.539 50 0 IHAARN Cc1ccc2c(c1)CCN1C(=O)CN(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)C[C@H]21 ZINC000022667633 526151645 /nfs/dbraw/zinc/15/16/45/526151645.db2.gz NBJPFOZWMBDCLH-GFCCVEGCSA-N 0 0 425.357 3.664 50 0 IHAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012923374 526181773 /nfs/dbraw/zinc/18/17/73/526181773.db2.gz CBCJIHARBCVYJJ-HZPDHXFCSA-N 0 0 436.581 3.628 50 0 IHAARN Cc1cc(C(=O)CCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)s1 ZINC000022228327 526198211 /nfs/dbraw/zinc/19/82/11/526198211.db2.gz MMCYYSIPUWLELV-UHFFFAOYSA-N 0 0 444.582 3.784 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cc(F)ccc1F ZINC000035535079 526215779 /nfs/dbraw/zinc/21/57/79/526215779.db2.gz IKUQSONGPWCSQQ-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012908542 526216320 /nfs/dbraw/zinc/21/63/20/526216320.db2.gz YGSBIFQFEQSPMO-INIZCTEOSA-N 0 0 442.519 3.948 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000021097271 526216362 /nfs/dbraw/zinc/21/63/62/526216362.db2.gz UDURIJJVANZIFY-AWEZNQCLSA-N 0 0 437.525 3.653 50 0 IHAARN C[C@H]1CCCCN1C(=O)Cn1c2ccccc2nc1SCC(=O)NCc1ccccc1 ZINC000033050330 526243660 /nfs/dbraw/zinc/24/36/60/526243660.db2.gz WPRGNFYIIDWNJE-SFHVURJKSA-N 0 0 436.581 3.846 50 0 IHAARN Cc1ccc(C)c(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 ZINC000012887816 526257386 /nfs/dbraw/zinc/25/73/86/526257386.db2.gz SDCCPNHYLQGTSM-OAHLLOKOSA-N 0 0 447.568 3.689 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2c1cnn2-c1ccccc1 ZINC000012227943 526268636 /nfs/dbraw/zinc/26/86/36/526268636.db2.gz LUOIKMDTESASLS-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000032980048 526271930 /nfs/dbraw/zinc/27/19/30/526271930.db2.gz DTEZLKBPLPQLMW-UHFFFAOYSA-N 0 0 426.951 3.766 50 0 IHAARN O=C(NCCCc1cccnc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012447972 526280528 /nfs/dbraw/zinc/28/05/28/526280528.db2.gz HSUUVZUAPSLTBB-UHFFFAOYSA-N 0 0 441.579 3.993 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cc12 ZINC000012736333 526289583 /nfs/dbraw/zinc/28/95/83/526289583.db2.gz FPZGGJVSZJJZFL-OAQYLSRUSA-N 0 0 440.613 3.850 50 0 IHAARN Cc1nn(Cc2ncc(-c3ccc(F)cc3)o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012932585 526299964 /nfs/dbraw/zinc/29/99/64/526299964.db2.gz MNDUWGWTVYJMJO-UHFFFAOYSA-N 0 0 444.488 3.756 50 0 IHAARN O=C(C1CCN(c2ccc3nncn3n2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020746080 526306341 /nfs/dbraw/zinc/30/63/41/526306341.db2.gz OCUQUWBOTCLUPK-UHFFFAOYSA-N 0 0 426.524 3.570 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000012777881 526308720 /nfs/dbraw/zinc/30/87/20/526308720.db2.gz SJVNLAQGTVOZHO-AWEZNQCLSA-N 0 0 446.479 3.507 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3C)c12 ZINC000012746143 526308831 /nfs/dbraw/zinc/30/88/31/526308831.db2.gz XVOQJFOJHDVTRS-INIZCTEOSA-N 0 0 442.516 3.677 50 0 IHAARN Cc1nn2c(ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000021537929 526312378 /nfs/dbraw/zinc/31/23/78/526312378.db2.gz VTYAXIWNISUWMK-UHFFFAOYSA-N 0 0 425.536 3.971 50 0 IHAARN Cc1nn2c(nnc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1cccc(Cl)c1 ZINC000020715352 526314177 /nfs/dbraw/zinc/31/41/77/526314177.db2.gz NROVYMDPSJAATP-UHFFFAOYSA-N 0 0 431.839 3.786 50 0 IHAARN Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc(C)c5C)CC4)c3c2)o1 ZINC000035461908 526317648 /nfs/dbraw/zinc/31/76/48/526317648.db2.gz ZOPCWVMJGFBBJQ-UHFFFAOYSA-N 0 0 429.524 3.965 50 0 IHAARN O=C(NCCN1CCOCC1)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000020723448 526319075 /nfs/dbraw/zinc/31/90/75/526319075.db2.gz URBFYCQLNYAYLF-UHFFFAOYSA-N 0 0 429.492 3.726 50 0 IHAARN Fc1ccc(-n2ncc3c2ncnc3Sc2nnc(NC[C@@H]3CCCO3)s2)cc1 ZINC000012584425 526321518 /nfs/dbraw/zinc/32/15/18/526321518.db2.gz RVECUJDFSGAIIX-ZDUSSCGKSA-N 0 0 429.506 3.548 50 0 IHAARN O=C(NCCOc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020530120 526356271 /nfs/dbraw/zinc/35/62/71/526356271.db2.gz MVRSIVVLGHBCBH-UHFFFAOYSA-N 0 0 430.913 3.950 50 0 IHAARN O=C(NCCc1ccccc1Cl)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O ZINC000012150279 526429077 /nfs/dbraw/zinc/42/90/77/526429077.db2.gz NVZNHWMGTNGMNL-UHFFFAOYSA-N 0 0 441.959 3.872 50 0 IHAARN O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000024362599 526431154 /nfs/dbraw/zinc/43/11/54/526431154.db2.gz VSGWTQVXAUFLLT-LBPRGKRZSA-N 0 0 442.971 3.908 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000021005191 526433243 /nfs/dbraw/zinc/43/32/43/526433243.db2.gz ZQMPZQDRYFGDHI-UHFFFAOYSA-N 0 0 441.531 3.560 50 0 IHAARN O=C(NCCc1ccccn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012448820 526434047 /nfs/dbraw/zinc/43/40/47/526434047.db2.gz WGKOFQKMQIUOOV-HXUWFJFHSA-N 0 0 427.552 3.603 50 0 IHAARN Cc1noc(C)c1CCC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000012746549 526484750 /nfs/dbraw/zinc/48/47/50/526484750.db2.gz RTWJLEIYMAMOBO-UHFFFAOYSA-N 0 0 431.536 3.727 50 0 IHAARN Cc1n[nH]c(C)c1CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012314719 526493276 /nfs/dbraw/zinc/49/32/76/526493276.db2.gz OWAVHXBIFSFGBA-UHFFFAOYSA-N 0 0 444.583 3.929 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000023881749 526520333 /nfs/dbraw/zinc/52/03/33/526520333.db2.gz SVQNZSAIMXHUHV-UHFFFAOYSA-N 0 0 447.535 3.763 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1ccccc1OC(F)(F)F ZINC000012217405 526564350 /nfs/dbraw/zinc/56/43/50/526564350.db2.gz XOBDDCBDENFYPF-IBGZPJMESA-N 0 0 426.460 3.935 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)Cc4ccc(Br)cc4)CC3)cc2)no1 ZINC000035556615 526576007 /nfs/dbraw/zinc/57/60/07/526576007.db2.gz FYVLELKUAFJCIH-UHFFFAOYSA-N 0 0 441.329 3.699 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2cc(F)ccc2F)c(=O)n3C(C)C)no1 ZINC000033306760 526580118 /nfs/dbraw/zinc/58/01/18/526580118.db2.gz GFWUXCSENDHVPA-UHFFFAOYSA-N 0 0 427.411 3.659 50 0 IHAARN Cc1nc(-c2cccc(N3C[C@H](C(=O)Nc4cccc(Br)c4)CC3=O)c2)no1 ZINC000021885119 526583686 /nfs/dbraw/zinc/58/36/86/526583686.db2.gz FKBUTTBYEOXZMD-CQSZACIVSA-N 0 0 441.285 3.799 50 0 IHAARN O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1ccccc1C(F)(F)F ZINC000014888466 526588028 /nfs/dbraw/zinc/58/80/28/526588028.db2.gz UXARWULKMXQQPI-MRXNPFEDSA-N 0 0 436.430 3.882 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012868549 526598310 /nfs/dbraw/zinc/59/83/10/526598310.db2.gz JBQHZHOWYQJLDB-UHFFFAOYSA-N 0 0 436.821 3.558 50 0 IHAARN O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCCN(Cc2cccs2)CC1 ZINC000020916017 526604427 /nfs/dbraw/zinc/60/44/27/526604427.db2.gz FDDNGARZZGGADN-UHFFFAOYSA-N 0 0 432.933 3.712 50 0 IHAARN O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000011932977 526604693 /nfs/dbraw/zinc/60/46/93/526604693.db2.gz LUMYUAGGCWGTPW-HNNXBMFYSA-N 0 0 427.407 3.662 50 0 IHAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000035527017 526635430 /nfs/dbraw/zinc/63/54/30/526635430.db2.gz UASKACOGOVIVCW-UHFFFAOYSA-N 0 0 448.267 3.807 50 0 IHAARN O=C(CCc1cnccn1)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012437568 526637696 /nfs/dbraw/zinc/63/76/96/526637696.db2.gz KHZAVINWYSRVHT-FQEVSTJZSA-N 0 0 428.536 3.745 50 0 IHAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000015932122 526641674 /nfs/dbraw/zinc/64/16/74/526641674.db2.gz AYFBOGQRIRSQEL-UHFFFAOYSA-N 0 0 438.427 3.598 50 0 IHAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1NC(=O)c1ccccc1 ZINC000022694524 526657747 /nfs/dbraw/zinc/65/77/47/526657747.db2.gz ATNYFNNPSYTWRN-UHFFFAOYSA-N 0 0 429.520 3.701 50 0 IHAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NC[C@H]1OCCc2ccccc21 ZINC000012464568 526663886 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O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSc1ccccc1 ZINC000022170624 526703728 /nfs/dbraw/zinc/70/37/28/526703728.db2.gz APGWPBDTOCJJKF-UHFFFAOYSA-N 0 0 444.553 3.930 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1cccc(Cl)c1 ZINC000035402471 526710870 /nfs/dbraw/zinc/71/08/70/526710870.db2.gz XHVPSTGUVUFXDA-UHFFFAOYSA-N 0 0 429.929 3.653 50 0 IHAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000020888918 526714034 /nfs/dbraw/zinc/71/40/34/526714034.db2.gz QFQDVMDCBXAABN-HSZRJFAPSA-N 0 0 438.487 3.937 50 0 IHAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccc(F)cc1F ZINC000035404505 526724235 /nfs/dbraw/zinc/72/42/35/526724235.db2.gz OIJTVVCIMPTXPF-UHFFFAOYSA-N 0 0 426.442 3.695 50 0 IHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2)N1CCN(c2ccccc2)CC1 ZINC000035377189 526725414 /nfs/dbraw/zinc/72/54/14/526725414.db2.gz ROERTMUSZOCZJR-UHFFFAOYSA-N 0 0 427.504 3.575 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000012300222 526728777 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VJWHDIMWJFOQFQ-UHFFFAOYSA-N 0 0 445.426 3.834 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012862555 527053062 /nfs/dbraw/zinc/05/30/62/527053062.db2.gz HBQHWEFTARHPMM-HNNXBMFYSA-N 0 0 436.566 3.975 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012537684 527064493 /nfs/dbraw/zinc/06/44/93/527064493.db2.gz XQVRVIWSGPWXHP-INIZCTEOSA-N 0 0 432.592 3.604 50 0 IHAARN Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(C)c1Cc1ccc(F)cc1 ZINC000020681340 527092258 /nfs/dbraw/zinc/09/22/58/527092258.db2.gz YWGCXRBFIPCHRD-UHFFFAOYSA-N 0 0 432.455 3.735 50 0 IHAARN Cn1c2nc(SCCCc3ccccc3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000012373957 527123025 /nfs/dbraw/zinc/12/30/25/527123025.db2.gz ASOVLOAMRLAHTH-UHFFFAOYSA-N 0 0 440.956 3.850 50 0 IHAARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020630 527133505 /nfs/dbraw/zinc/13/35/05/527133505.db2.gz DNHLXFPJAFLJNC-UHFFFAOYSA-N 0 0 433.869 3.930 50 0 IHAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000011819042 527140051 /nfs/dbraw/zinc/14/00/51/527140051.db2.gz SORKIRDHVRYYCV-QFIPXVFZSA-N 0 0 432.524 3.976 50 0 IHAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 ZINC000020850675 527187887 /nfs/dbraw/zinc/18/78/87/527187887.db2.gz IOONTJVPAYFSEJ-QHCPKHFHSA-N 0 0 438.524 3.820 50 0 IHAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCc1nc(C(C)C)no1 ZINC000022750619 527208328 /nfs/dbraw/zinc/20/83/28/527208328.db2.gz NHOYGHJMECBFAN-UHFFFAOYSA-N 0 0 430.511 3.745 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1F ZINC000017177840 527220544 /nfs/dbraw/zinc/22/05/44/527220544.db2.gz XCMZOOHKNYRWGK-UHFFFAOYSA-N 0 0 436.921 3.771 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012557575 527225703 /nfs/dbraw/zinc/22/57/03/527225703.db2.gz NXKJTEKJERSHSM-KRWDZBQOSA-N 0 0 433.599 3.778 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccncc1 ZINC000012560728 527236750 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O=C(Cc1ccccc1)N1CCC2(CC[C@H](CNC(=O)C3(c4ccccc4)CC3)O2)CC1 ZINC000012156679 527275834 /nfs/dbraw/zinc/27/58/34/527275834.db2.gz XOOFUISTHIMJFZ-HSZRJFAPSA-N 0 0 432.564 3.617 50 0 IHAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000025284804 527282777 /nfs/dbraw/zinc/28/27/77/527282777.db2.gz JRPZUMJEXNAKPA-JOCHJYFZSA-N 0 0 437.565 3.523 50 0 IHAARN O=S(=O)(c1cccc2nsnc21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000012388963 527288090 /nfs/dbraw/zinc/28/80/90/527288090.db2.gz YVFHTXTYNJMNRO-UHFFFAOYSA-N 0 0 449.355 3.682 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1)C1=CSCCO1 ZINC000021019347 527326744 /nfs/dbraw/zinc/32/67/44/527326744.db2.gz HXBQNKSIPLZYFQ-UHFFFAOYSA-N 0 0 443.956 3.846 50 0 IHAARN O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)Nc1ccccc1Br ZINC000033287348 527353968 /nfs/dbraw/zinc/35/39/68/527353968.db2.gz YVLYYTDTFSNLJZ-UHFFFAOYSA-N 0 0 441.329 3.788 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000042380247 527354760 /nfs/dbraw/zinc/35/47/60/527354760.db2.gz QLMJCFJFWSLUQE-AWEZNQCLSA-N 0 0 438.484 3.658 50 0 IHAARN O=C(Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O)N1CCCC1 ZINC000012613974 527356447 /nfs/dbraw/zinc/35/64/47/527356447.db2.gz QMAWXEJNPXAJDY-UHFFFAOYSA-N 0 0 442.610 3.795 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)NC[C@@H]1CCCO1 ZINC000017200928 527369653 /nfs/dbraw/zinc/36/96/53/527369653.db2.gz LYXWFRZEHFDJFN-SFHVURJKSA-N 0 0 446.956 3.564 50 0 IHAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2 ZINC000012540539 527387049 /nfs/dbraw/zinc/38/70/49/527387049.db2.gz AIBPCBBAHKTDCA-MRXNPFEDSA-N 0 0 447.535 3.838 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012912992 527390721 /nfs/dbraw/zinc/39/07/21/527390721.db2.gz GAIGTSHMTJBYHF-UHFFFAOYSA-N 0 0 428.432 3.625 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000021688248 527403342 /nfs/dbraw/zinc/40/33/42/527403342.db2.gz LTEDNIMUWGVPEF-UHFFFAOYSA-N 0 0 438.281 3.735 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccccc3Cl)o2)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000033162088 527431922 /nfs/dbraw/zinc/43/19/22/527431922.db2.gz LZHDDYBJJUGHDG-PDGQHHTCSA-N 0 0 433.876 3.639 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 ZINC000012559415 527452681 /nfs/dbraw/zinc/45/26/81/527452681.db2.gz HSEUBZLDKKSFLI-INIZCTEOSA-N 0 0 435.240 3.683 50 0 IHAARN O=c1c2c(nc(SCCN3CCOCC3)n1-c1ccccc1F)sc1c2CCCC1 ZINC000021225159 527455854 /nfs/dbraw/zinc/45/58/54/527455854.db2.gz QPOJFLBWBNPOMY-UHFFFAOYSA-N 0 0 445.585 3.889 50 0 IHAARN O=C(Nc1ccnn1C1CCN(Cc2ccc(F)cc2F)CC1)c1ccc2c(c1)OCO2 ZINC000012718783 527461368 /nfs/dbraw/zinc/46/13/68/527461368.db2.gz UTOZIQKJDDXFFE-UHFFFAOYSA-N 0 0 440.450 3.979 50 0 IHAARN Cc1ncoc1C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012708009 527468562 /nfs/dbraw/zinc/46/85/62/527468562.db2.gz GDAOXGASAXKJMR-UHFFFAOYSA-N 0 0 431.920 3.992 50 0 IHAARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000021681498 527508161 /nfs/dbraw/zinc/50/81/61/527508161.db2.gz HNFNNDXTMQRPEQ-UHFFFAOYSA-N 0 0 446.532 3.607 50 0 IHAARN O=C(NC1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012811771 527518782 /nfs/dbraw/zinc/51/87/82/527518782.db2.gz SKSKGJKWXJATFC-CYBMUJFWSA-N 0 0 435.409 3.503 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000035990219 527523746 /nfs/dbraw/zinc/52/37/46/527523746.db2.gz XPJJXLJTWIHRQG-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@H]1COc2ccccc2O1 ZINC000012637905 527528446 /nfs/dbraw/zinc/52/84/46/527528446.db2.gz BXRBAAQXMZCHGF-DVQDXYAYSA-N 0 0 427.863 3.943 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000035990297 527529842 /nfs/dbraw/zinc/52/98/42/527529842.db2.gz OPWBVUWJCNHBGO-UHFFFAOYSA-N 0 0 448.477 3.673 50 0 IHAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000020603399 527531325 /nfs/dbraw/zinc/53/13/25/527531325.db2.gz XXUWDDJVNHBIPD-UHFFFAOYSA-N 0 0 446.599 3.951 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1ccc(F)cc1 ZINC000041086070 527535769 /nfs/dbraw/zinc/53/57/69/527535769.db2.gz ANTPQKTVUDEVFW-UHFFFAOYSA-N 0 0 428.474 3.621 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cn1c2ccccc2oc1=S ZINC000012522774 527545944 /nfs/dbraw/zinc/54/59/44/527545944.db2.gz XNHCRERRAGUUTF-OAQYLSRUSA-N 0 0 433.537 3.897 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012675517 527547872 /nfs/dbraw/zinc/54/78/72/527547872.db2.gz CGSNCCSGLYLRFU-UHFFFAOYSA-N 0 0 440.912 3.978 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1[C@]1(c3ccccc3NC1=O)N1c3ccccc3NC(=O)C1=N2 ZINC000012557669 527555210 /nfs/dbraw/zinc/55/52/10/527555210.db2.gz QLSVOHMUKBAOFX-SANMLTNESA-N 0 0 446.470 3.879 50 0 IHAARN O=C(NCC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000021149051 527559962 /nfs/dbraw/zinc/55/99/62/527559962.db2.gz ISVPKYGREOAZAM-UHFFFAOYSA-N 0 0 432.911 3.975 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000015670630 527574313 /nfs/dbraw/zinc/57/43/13/527574313.db2.gz XNSOXJCCGDFFSS-INIZCTEOSA-N 0 0 436.397 3.924 50 0 IHAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012895008 527606789 /nfs/dbraw/zinc/60/67/89/527606789.db2.gz NUGJHTMBMIBKGG-VQHVLOKHSA-N 0 0 439.364 3.681 50 0 IHAARN O=C(/C=C\c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F ZINC000033477372 527658759 /nfs/dbraw/zinc/65/87/59/527658759.db2.gz OUDCVQODVSNQOR-YVMONPNESA-N 0 0 444.431 3.657 50 0 IHAARN O=C(C(=O)N1CC(=O)Nc2ccccc21)c1cn(Cc2ccccc2F)c2ccccc12 ZINC000012375611 527663231 /nfs/dbraw/zinc/66/32/31/527663231.db2.gz SVDWWLJMZRXGPV-UHFFFAOYSA-N 0 0 427.435 3.997 50 0 IHAARN O=C(NCCCOC1CCCCC1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021972041 527683178 /nfs/dbraw/zinc/68/31/78/527683178.db2.gz YDECGRPEGSVBMA-UHFFFAOYSA-N 0 0 436.599 3.696 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCc1ccccc1Cl ZINC000009530249 535003126 /nfs/dbraw/zinc/00/31/26/535003126.db2.gz SMDDZRHYECXGCF-UHFFFAOYSA-N 0 0 437.974 3.664 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cc(F)ccc1F ZINC000009530291 535003789 /nfs/dbraw/zinc/00/37/89/535003789.db2.gz YBWWBIFIFBVPAC-UHFFFAOYSA-N 0 0 425.482 3.611 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936486 535036548 /nfs/dbraw/zinc/03/65/48/535036548.db2.gz HWUXFCJHXZCHLU-LJQANCHMSA-N 0 0 426.609 3.910 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc12 ZINC000006144484 535390904 /nfs/dbraw/zinc/39/09/04/535390904.db2.gz UGZMOMBRXVYKTD-UHFFFAOYSA-N 0 0 426.538 3.758 50 0 IHAARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000009670047 535445146 /nfs/dbraw/zinc/44/51/46/535445146.db2.gz ZHVWWHDRRUREMU-OAHLLOKOSA-N 0 0 426.542 3.918 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1 ZINC000006822454 535630378 /nfs/dbraw/zinc/63/03/78/535630378.db2.gz CSVZJPFEQNXILH-SFHVURJKSA-N 0 0 429.586 3.805 50 0 IHAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCOCC3)c2cc1OC ZINC000002214356 535692587 /nfs/dbraw/zinc/69/25/87/535692587.db2.gz GXIYXTKEJHCQKQ-UHFFFAOYSA-N 0 0 425.485 3.558 50 0 IHAARN CCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)nnc1C1CC1 ZINC000013013303 535999191 /nfs/dbraw/zinc/99/91/91/535999191.db2.gz JATFBLCAXCRVHV-SNVBAGLBSA-N 0 0 439.463 3.660 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCc3ccco3)CC2)c2cc(C)ccc2O1 ZINC000006847057 536116692 /nfs/dbraw/zinc/11/66/92/536116692.db2.gz NVTWTNCITIRAMF-IBGZPJMESA-N 0 0 425.529 3.756 50 0 IHAARN COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1 ZINC000004339009 536599282 /nfs/dbraw/zinc/59/92/82/536599282.db2.gz MJPOGLKYICRFMO-UHFFFAOYSA-N 0 0 443.525 3.613 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CN1C(=O)CSc2ccccc21 ZINC000008749231 536636491 /nfs/dbraw/zinc/63/64/91/536636491.db2.gz PODKWSTVQLRYTQ-UHFFFAOYSA-N 0 0 435.343 3.555 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1OC ZINC000014000074 536780383 /nfs/dbraw/zinc/78/03/83/536780383.db2.gz IRQSBBMHBNIGAT-UHFFFAOYSA-N 0 0 445.947 3.914 50 0 IHAARN COc1cccc(/C=C(/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)c1 ZINC000009634225 537073789 /nfs/dbraw/zinc/07/37/89/537073789.db2.gz OVBUBBTXYAOLGU-RCCKNPSSSA-N 0 0 442.471 3.764 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000000628742 555513673 /nfs/dbraw/zinc/51/36/73/555513673.db2.gz VXDOVAJEJNMOKP-UHFFFAOYSA-N 0 0 446.550 3.995 50 0 IHAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000000630319 555514649 /nfs/dbraw/zinc/51/46/49/555514649.db2.gz GXXSPZSFDVGBSE-KRWDZBQOSA-N 0 0 449.912 3.726 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 ZINC000000638210 555517183 /nfs/dbraw/zinc/51/71/83/555517183.db2.gz OOVVOXUPSGIPEV-UHFFFAOYSA-N 0 0 440.521 3.776 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c1 ZINC000000637327 555517295 /nfs/dbraw/zinc/51/72/95/555517295.db2.gz VDUNHARIVIXNMS-UHFFFAOYSA-N 0 0 434.565 3.667 50 0 IHAARN CCOC(=O)C1C(c2ccc(OC)cc2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000000652724 555523519 /nfs/dbraw/zinc/52/35/19/555523519.db2.gz GRNWJEIPVIQCKC-GOSISDBHSA-N 0 0 431.286 3.786 50 0 IHAARN COc1ccccc1OCc1cccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c1 ZINC000000652677 555523531 /nfs/dbraw/zinc/52/35/31/555523531.db2.gz ODFFRTJGTIZZOO-HXUWFJFHSA-N 0 0 426.366 3.695 50 0 IHAARN COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000654076 555524089 /nfs/dbraw/zinc/52/40/89/555524089.db2.gz TVIHZJSJFLQIOC-UHFFFAOYSA-N 0 0 436.961 3.865 50 0 IHAARN COc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000000659759 555526361 /nfs/dbraw/zinc/52/63/61/555526361.db2.gz GIQCFFYXPXHERQ-UHFFFAOYSA-N 0 0 438.549 3.690 50 0 IHAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4OC)cc3n2)cc1 ZINC000000669818 555530186 /nfs/dbraw/zinc/53/01/86/555530186.db2.gz MPAQCYQBYVTFFJ-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000000672629 555531924 /nfs/dbraw/zinc/53/19/24/555531924.db2.gz DDFRBBOBODSUEO-UHFFFAOYSA-N 0 0 427.320 3.715 50 0 IHAARN O=C(NCc1ccco1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000000713691 555548088 /nfs/dbraw/zinc/54/80/88/555548088.db2.gz UEWXMTVWJFOSSG-UHFFFAOYSA-N 0 0 427.048 3.841 50 0 IHAARN Cc1ccnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1 ZINC000000724281 555550764 /nfs/dbraw/zinc/55/07/64/555550764.db2.gz JMDBQXNOPSYNIN-UHFFFAOYSA-N 0 0 431.686 3.775 50 0 IHAARN COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000000729946 555552920 /nfs/dbraw/zinc/55/29/20/555552920.db2.gz HXCSDTDADANXMG-OAHLLOKOSA-N 0 0 431.510 3.878 50 0 IHAARN O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000000795639 555557994 /nfs/dbraw/zinc/55/79/94/555557994.db2.gz DJAOZWVSGOLVSX-SFHVURJKSA-N 0 0 438.505 3.928 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000813596 555561163 /nfs/dbraw/zinc/56/11/63/555561163.db2.gz QDKWQOVHUQNINE-QHCPKHFHSA-N 0 0 436.489 3.713 50 0 aggregator IHAARN COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000816983 555562875 /nfs/dbraw/zinc/56/28/75/555562875.db2.gz SPPKDTNYHXAGPW-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN Nc1cc(Cl)c(S(=O)(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000000834485 555566999 /nfs/dbraw/zinc/56/69/99/555566999.db2.gz FGDWGOVNMCIHGG-UHFFFAOYSA-N 0 0 437.930 3.524 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Br)c2)cc1 ZINC000000845639 555569315 /nfs/dbraw/zinc/56/93/15/555569315.db2.gz CXQJRIIQGOKTDS-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1OC ZINC000000867222 555574397 /nfs/dbraw/zinc/57/43/97/555574397.db2.gz YHXBIQDBIZBUDU-QGZVFWFLSA-N 0 0 446.301 3.733 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C/c1nc2ccccc2s1 ZINC000009464779 555575181 /nfs/dbraw/zinc/57/51/81/555575181.db2.gz ZDGFPSGNEPJGEB-CMDGGOBGSA-N 0 0 430.507 3.956 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 ZINC000000873101 555575901 /nfs/dbraw/zinc/57/59/01/555575901.db2.gz DQYXQEIQYBWWAK-UHFFFAOYSA-N 0 0 431.539 3.519 50 0 IHAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1 ZINC000000880301 555577186 /nfs/dbraw/zinc/57/71/86/555577186.db2.gz ZYDFLZLRRPWSOG-UHFFFAOYSA-N 0 0 427.551 3.946 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(Cl)cc2)cc1 ZINC000000882537 555578169 /nfs/dbraw/zinc/57/81/69/555578169.db2.gz BITMVALMLBRWQR-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)cc2)cc1 ZINC000000890128 555579521 /nfs/dbraw/zinc/57/95/21/555579521.db2.gz LNPQEXICHARHNP-QHCPKHFHSA-N 0 0 436.533 3.758 50 0 IHAARN COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC ZINC000000893115 555579981 /nfs/dbraw/zinc/57/99/81/555579981.db2.gz WNBOCDMKXLVINY-UHFFFAOYSA-N 0 0 430.504 3.969 50 0 IHAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)cc2)cc1 ZINC000000894143 555580312 /nfs/dbraw/zinc/58/03/12/555580312.db2.gz LGEFSUWMCRTSTK-UHFFFAOYSA-N 0 0 441.578 3.624 50 0 IHAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1 ZINC000000904467 555581942 /nfs/dbraw/zinc/58/19/42/555581942.db2.gz IVTBYNVFGSDBAJ-UHFFFAOYSA-N 0 0 434.901 3.673 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCOCC3)n2)cc1 ZINC000000920442 555584322 /nfs/dbraw/zinc/58/43/22/555584322.db2.gz JBQOQFMAQHFESO-UHFFFAOYSA-N 0 0 427.448 3.512 50 0 IHAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000000921571 555584712 /nfs/dbraw/zinc/58/47/12/555584712.db2.gz AAPVACTYYPFYGN-UHFFFAOYSA-N 0 0 434.489 3.517 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000942103 555587082 /nfs/dbraw/zinc/58/70/82/555587082.db2.gz IVTYVSVHGVAERO-UHFFFAOYSA-N 0 0 434.473 3.827 50 0 IHAARN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000947817 555588542 /nfs/dbraw/zinc/58/85/42/555588542.db2.gz ZTMLXHKKPRZFDP-LJQANCHMSA-N 0 0 428.535 3.511 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1C ZINC000000951153 555589209 /nfs/dbraw/zinc/58/92/09/555589209.db2.gz HRXTVQOETFJCEL-UHFFFAOYSA-N 0 0 435.461 3.681 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2C)n1 ZINC000000955085 555590036 /nfs/dbraw/zinc/59/00/36/555590036.db2.gz RRLXWHQAMKMIDI-UHFFFAOYSA-N 0 0 427.320 3.646 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000000980837 555593310 /nfs/dbraw/zinc/59/33/10/555593310.db2.gz SJNMIOGQBIWUEG-UHFFFAOYSA-N 0 0 430.283 3.965 50 0 IHAARN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000000982797 555593880 /nfs/dbraw/zinc/59/38/80/555593880.db2.gz FGGNPRRWNDHRLV-UHFFFAOYSA-N 0 0 430.526 3.518 50 0 IHAARN O=C1C[C@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000000986307 555594805 /nfs/dbraw/zinc/59/48/05/555594805.db2.gz YLJPENAOLAPXTQ-FQEVSTJZSA-N 0 0 443.488 3.879 50 0 IHAARN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1 ZINC000000989847 555595574 /nfs/dbraw/zinc/59/55/74/555595574.db2.gz SMJXKPCAOZEQJE-MRXNPFEDSA-N 0 0 425.076 3.624 50 0 IHAARN CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000993284 555597505 /nfs/dbraw/zinc/59/75/05/555597505.db2.gz XYUHPLUJBVAHIK-KRWDZBQOSA-N 0 0 443.883 3.684 50 0 IHAARN COc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001014986 555602474 /nfs/dbraw/zinc/60/24/74/555602474.db2.gz IWWPOWDXYBTMNP-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000001056630 555614494 /nfs/dbraw/zinc/61/44/94/555614494.db2.gz XELFYNSJCCHXCC-UHFFFAOYSA-N 0 0 425.466 3.538 50 0 aggregator IHAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1-c1ccccc1O ZINC000001060387 555616058 /nfs/dbraw/zinc/61/60/58/555616058.db2.gz YEYNMWTVSZEEOB-UHFFFAOYSA-N 0 0 446.916 3.841 50 0 IHAARN CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(S(=O)(=O)CC)n2)cc1 ZINC000001067999 555619310 /nfs/dbraw/zinc/61/93/10/555619310.db2.gz DJSXJDABEAQVAN-UHFFFAOYSA-N 0 0 427.574 3.825 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cc1Cl ZINC000001075752 555623886 /nfs/dbraw/zinc/62/38/86/555623886.db2.gz HQVSVZGVDJROSB-UHFFFAOYSA-N 0 0 436.961 3.598 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1cc(OC)ccc1OC ZINC000001084435 555626611 /nfs/dbraw/zinc/62/66/11/555626611.db2.gz BBTKHNUVFOYLIX-NRFANRHFSA-N 0 0 438.505 3.664 50 0 IHAARN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000001108740 555630190 /nfs/dbraw/zinc/63/01/90/555630190.db2.gz HMAWYTAGZBJCCL-CYBMUJFWSA-N 0 0 441.347 3.543 50 0 IHAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000001111078 555631812 /nfs/dbraw/zinc/63/18/12/555631812.db2.gz JTKFIRJHPKPPRW-CQSZACIVSA-N 0 0 425.348 3.859 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1nnc2c3ccccc3c(C)nn12 ZINC000001114235 555633517 /nfs/dbraw/zinc/63/35/17/555633517.db2.gz FFZAFZWGTVLLBU-UHFFFAOYSA-N 0 0 435.553 3.982 50 0 IHAARN COc1ccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)cc1 ZINC000001117304 555634884 /nfs/dbraw/zinc/63/48/84/555634884.db2.gz LSIIURHEWSAGFS-UHFFFAOYSA-N 0 0 443.503 3.613 50 0 IHAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001120264 555637373 /nfs/dbraw/zinc/63/73/73/555637373.db2.gz WYUIOGMXWJDHQM-UHFFFAOYSA-N 0 0 447.866 3.897 50 0 IHAARN CC(C)(C)C1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(I)cc2)N1 ZINC000001123711 555639356 /nfs/dbraw/zinc/63/93/56/555639356.db2.gz OZEJMFCAJGCDMR-AWEZNQCLSA-N 0 0 440.203 3.790 50 0 IHAARN CCOc1nnc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)c2ccccc21 ZINC000001128449 555642817 /nfs/dbraw/zinc/64/28/17/555642817.db2.gz FECUUXMORFWCSM-UHFFFAOYSA-N 0 0 434.521 3.877 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000001135178 555646596 /nfs/dbraw/zinc/64/65/96/555646596.db2.gz OPNVSGUYOFJZQG-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Br ZINC000001136858 555647110 /nfs/dbraw/zinc/64/71/10/555647110.db2.gz LIQQBDXVBWFYKN-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN CCC(=O)Oc1cccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)c1 ZINC000001146916 555654101 /nfs/dbraw/zinc/65/41/01/555654101.db2.gz UDTLEECBIPEODS-UHFFFAOYSA-N 0 0 430.416 3.930 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000001157830 555659898 /nfs/dbraw/zinc/65/98/98/555659898.db2.gz DSAKOFGTSJXWKA-ZDUSSCGKSA-N 0 0 430.448 3.897 50 0 IHAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000001161202 555661684 /nfs/dbraw/zinc/66/16/84/555661684.db2.gz LPTSMQROCMUOHO-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001162872 555662919 /nfs/dbraw/zinc/66/29/19/555662919.db2.gz HYJZNODKZMJVAS-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN Cc1cc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1Br ZINC000001172164 555667397 /nfs/dbraw/zinc/66/73/97/555667397.db2.gz YDDGCUZRYLLPAN-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Br ZINC000001172211 555667610 /nfs/dbraw/zinc/66/76/10/555667610.db2.gz XOWKJQRIIPAILL-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1C ZINC000001177136 555670247 /nfs/dbraw/zinc/67/02/47/555670247.db2.gz YXEAJUDGEHRSSL-QHCPKHFHSA-N 0 0 441.483 3.937 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)Cc2ccccc2)cc1 ZINC000001179155 555671180 /nfs/dbraw/zinc/67/11/80/555671180.db2.gz LGSMGDJXHIGKHY-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN Cn1c2nc(Oc3ccc(C(C)(C)C)cc3)n(Cc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000001183452 555673052 /nfs/dbraw/zinc/67/30/52/555673052.db2.gz DXSWIPVGTJNSLO-UHFFFAOYSA-N 0 0 436.487 3.711 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cc(C)cc(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000001196726 555677010 /nfs/dbraw/zinc/67/70/10/555677010.db2.gz RFRFOAPVWPTEDD-UHFFFAOYSA-N 0 0 431.535 3.946 50 0 IHAARN COc1ccc(-n2c3nnc(SC)n3c3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000001204996 555680005 /nfs/dbraw/zinc/68/00/05/555680005.db2.gz QYKAZEMDQJSQHX-UHFFFAOYSA-N 0 0 428.539 3.677 50 0 IHAARN Cc1ccc(OC(=O)C[C@H]2CS(=O)(=O)C[C@H]2CC(=O)Oc2ccc(C)c(C)c2)cc1C ZINC000001318649 555690014 /nfs/dbraw/zinc/69/00/14/555690014.db2.gz FQRDNFLOCBDDPS-BGYRXZFFSA-N 0 0 444.549 3.872 50 0 IHAARN CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21 ZINC000001425972 555695876 /nfs/dbraw/zinc/69/58/76/555695876.db2.gz VUGCWPLSJRIVEC-UHFFFAOYSA-N 0 0 434.583 3.857 50 0 IHAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccn1)Nc1ccc(F)cc1 ZINC000001442536 555698120 /nfs/dbraw/zinc/69/81/20/555698120.db2.gz XRWDFUVZLQVTQJ-HXUWFJFHSA-N 0 0 434.496 3.752 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 ZINC000001442524 555698166 /nfs/dbraw/zinc/69/81/66/555698166.db2.gz UAXHJAOXEATSGM-OAQYLSRUSA-N 0 0 430.533 3.921 50 0 IHAARN COc1cc(OC)nc([C@H](SCCNC(=O)c2ccc(Cl)nc2)c2ccccc2)n1 ZINC000001742009 555711777 /nfs/dbraw/zinc/71/17/77/555711777.db2.gz PLWLDMQXRGNSOA-LJQANCHMSA-N 0 0 444.944 3.795 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000001806336 555717562 /nfs/dbraw/zinc/71/75/62/555717562.db2.gz QTFJTJFBEOYLEW-WJDWOHSUSA-N 0 0 428.311 3.527 50 0 IHAARN COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1O ZINC000002057833 555731157 /nfs/dbraw/zinc/73/11/57/555731157.db2.gz ZXCTXNAJJZYGNM-IBGZPJMESA-N 0 0 446.887 3.647 50 0 biogenic,in-vitro IHAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I ZINC000002070850 555734853 /nfs/dbraw/zinc/73/48/53/555734853.db2.gz XNZSWJNNEQKBEI-OAHLLOKOSA-N 0 0 428.270 3.605 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000002207734 555758062 /nfs/dbraw/zinc/75/80/62/555758062.db2.gz OTOWCFQCYWNUGA-UHFFFAOYSA-N 0 0 436.497 3.506 50 0 IHAARN COC(=O)c1cc(NC(=S)NCCSc2ccc(Cl)cc2)cc(C(=O)OC)c1 ZINC000002219641 555759324 /nfs/dbraw/zinc/75/93/24/555759324.db2.gz WNPVCFIKYWDLPP-UHFFFAOYSA-N 0 0 438.958 3.992 50 0 IHAARN COc1cc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)cc(OC)c1OC ZINC000002241457 555761508 /nfs/dbraw/zinc/76/15/08/555761508.db2.gz SETMZEWCCYSJSB-UHFFFAOYSA-N 0 0 439.497 3.748 50 0 IHAARN Cc1nn2c(COc3ccc(NS(=O)(=O)c4ccccc4)cc3)nnc2c2ccccc12 ZINC000002326245 555768975 /nfs/dbraw/zinc/76/89/75/555768975.db2.gz IMKOZHXMRZKZHC-UHFFFAOYSA-N 0 0 445.504 3.966 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000002332466 555769576 /nfs/dbraw/zinc/76/95/76/555769576.db2.gz CBZBZKWEHXXMIQ-UHFFFAOYSA-N 0 0 445.504 3.831 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000002699676 555800507 /nfs/dbraw/zinc/80/05/07/555800507.db2.gz RFJQUXVEMDLAAQ-JTMDUIFQSA-N 0 0 431.517 3.971 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000034692845 555805345 /nfs/dbraw/zinc/80/53/45/555805345.db2.gz XIHFVZGVIBSUFK-UHFFFAOYSA-N 0 0 426.451 3.585 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2ccc(F)cc2F)c1=O ZINC000034693206 555806231 /nfs/dbraw/zinc/80/62/31/555806231.db2.gz YJNBCJWZAJYRTG-UHFFFAOYSA-N 0 0 438.478 3.993 50 0 IHAARN COc1cccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(C3CCCC3)c2=O)c1 ZINC000034693337 555806586 /nfs/dbraw/zinc/80/65/86/555806586.db2.gz LHBGRJWAJPLJHD-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN Cc1ccccc1Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 ZINC000034693646 555808032 /nfs/dbraw/zinc/80/80/32/555808032.db2.gz SRBPXOBBRPDXSI-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3cccnc3)C[C@@H](c3ccccc3)C2)cc1 ZINC000034709550 555823770 /nfs/dbraw/zinc/82/37/70/555823770.db2.gz XGJMDAXCSWFLIG-PKTZIBPZSA-N 0 0 429.520 3.653 50 0 IHAARN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002816628 555828719 /nfs/dbraw/zinc/82/87/19/555828719.db2.gz QALRNAMBHZUKFG-UHFFFAOYSA-N 0 0 432.270 3.797 50 0 IHAARN Nc1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)s1 ZINC000002848079 555838042 /nfs/dbraw/zinc/83/80/42/555838042.db2.gz AOVXXCVXRPDPSW-UHFFFAOYSA-N 0 0 428.362 3.737 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3c(C)coc3C)C2=O)cc1OC ZINC000002854520 555841116 /nfs/dbraw/zinc/84/11/16/555841116.db2.gz NKXDNNQUVWHBHM-VWLOTQADSA-N 0 0 435.476 3.921 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1 ZINC000002856854 555842048 /nfs/dbraw/zinc/84/20/48/555842048.db2.gz BIWWFMWIHFMAQS-UHFFFAOYSA-N 0 0 435.702 3.646 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1cnn(CC)c1C(N)=O)CCCCCC2 ZINC000002857136 555842353 /nfs/dbraw/zinc/84/23/53/555842353.db2.gz HWSPTOYRASZLFS-UHFFFAOYSA-N 0 0 449.602 3.708 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1C ZINC000002858998 555843236 /nfs/dbraw/zinc/84/32/36/555843236.db2.gz RZFWHHHBMIYFED-UHFFFAOYSA-N 0 0 438.505 3.859 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc(OC)ccc1Br ZINC000002874018 555851100 /nfs/dbraw/zinc/85/11/00/555851100.db2.gz OXRFEMXJSSSQPP-GOSISDBHSA-N 0 0 447.354 3.951 50 0 IHAARN CCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002874462 555851412 /nfs/dbraw/zinc/85/14/12/555851412.db2.gz IYFSCENZAWMJQL-UHFFFAOYSA-N 0 0 434.533 3.678 50 0 IHAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 ZINC000002876586 555852495 /nfs/dbraw/zinc/85/24/95/555852495.db2.gz JQFAHAOAUZBRQG-ZDUSSCGKSA-N 0 0 443.338 3.998 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000002882322 555856311 /nfs/dbraw/zinc/85/63/11/555856311.db2.gz STOATPLUGUSLCN-UHFFFAOYSA-N 0 0 440.924 3.836 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010544562 555863054 /nfs/dbraw/zinc/86/30/54/555863054.db2.gz QHQUDJNFWWHEBM-GOSISDBHSA-N 0 0 440.569 3.613 50 0 IHAARN C[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000002938656 555864827 /nfs/dbraw/zinc/86/48/27/555864827.db2.gz NFHOHLNIFUOFOK-HNNXBMFYSA-N 0 0 426.991 3.544 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000002962804 555867934 /nfs/dbraw/zinc/86/79/34/555867934.db2.gz AEHDVPCDNKTLRZ-INIZCTEOSA-N 0 0 430.526 3.679 50 0 IHAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000002978456 555870564 /nfs/dbraw/zinc/87/05/64/555870564.db2.gz VRIRNQLMOBLNPE-UHFFFAOYSA-N 0 0 448.566 3.948 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002982874 555873107 /nfs/dbraw/zinc/87/31/07/555873107.db2.gz AICYISAVOBVPHL-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1 ZINC000002982680 555873130 /nfs/dbraw/zinc/87/31/30/555873130.db2.gz PRVPYLYFNQQOIA-UHFFFAOYSA-N 0 0 440.590 3.932 50 0 IHAARN COc1cc(C=O)ccc1OCCOCCOc1ccc(I)cc1 ZINC000002985135 555873744 /nfs/dbraw/zinc/87/37/44/555873744.db2.gz XHLNPBYITMRODZ-UHFFFAOYSA-N 0 0 442.249 3.587 50 0 IHAARN COc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccccc1 ZINC000002988541 555874613 /nfs/dbraw/zinc/87/46/13/555874613.db2.gz PCJMJFPOECHHHB-UHFFFAOYSA-N 0 0 436.599 3.538 50 0 IHAARN Cc1c(NC(=O)OCCNC(=O)COc2ccc(Cl)cc2C)sc(=S)n1C ZINC000002992941 555875436 /nfs/dbraw/zinc/87/54/36/555875436.db2.gz WESQTIBNYLYDFV-UHFFFAOYSA-N 0 0 429.951 3.830 50 0 IHAARN CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000003105626 555887635 /nfs/dbraw/zinc/88/76/35/555887635.db2.gz IIDMWFZBBIERND-UHFFFAOYSA-N 0 0 434.583 3.625 50 0 IHAARN O=C(c1cc2n(n1)CCN(Cc1ccccc1F)C2=O)N1CCC(Cc2ccccc2)CC1 ZINC000034811015 555908868 /nfs/dbraw/zinc/90/88/68/555908868.db2.gz 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CCCCCCNC(=O)Cc1csc(NC(=O)CN(CCC)C(=O)c2ccccc2)n1 ZINC000034868716 555925661 /nfs/dbraw/zinc/92/56/61/555925661.db2.gz LSZVHVYLXPJYCQ-UHFFFAOYSA-N 0 0 444.601 3.873 50 0 IHAARN CCCCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1 ZINC000034900167 555929394 /nfs/dbraw/zinc/92/93/94/555929394.db2.gz LVPFMCMLRFSVIA-CEMLEFRQSA-N 0 0 445.579 3.802 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003506665 555937274 /nfs/dbraw/zinc/93/72/74/555937274.db2.gz PLUXRMHQLSESKZ-UHFFFAOYSA-N 0 0 431.477 3.789 50 0 IHAARN CN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000004123020 555965723 /nfs/dbraw/zinc/96/57/23/555965723.db2.gz UHCJTRPBZYPXJH-OAQYLSRUSA-N 0 0 425.282 3.677 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c2C(N)=O)C1 ZINC000004176416 555973356 /nfs/dbraw/zinc/97/33/56/555973356.db2.gz QKMDHRQTVQIFFH-SNVBAGLBSA-N 0 0 425.466 3.608 50 0 IHAARN CCc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000004615374 556004285 /nfs/dbraw/zinc/00/42/85/556004285.db2.gz FORVXNHYHDOKPJ-ILSIFQBBSA-N 0 0 432.557 3.687 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000005359889 556048004 /nfs/dbraw/zinc/04/80/04/556048004.db2.gz UWOFRAABXDCPFI-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)n1 ZINC000006089403 556075879 /nfs/dbraw/zinc/07/58/79/556075879.db2.gz QQMRUEUVSPAXRQ-UHFFFAOYSA-N 0 0 442.522 3.855 50 0 IHAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 ZINC000006136623 556077093 /nfs/dbraw/zinc/07/70/93/556077093.db2.gz URQJPVDQSHSHJI-OAQYLSRUSA-N 0 0 448.454 3.596 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 ZINC000006162697 556078936 /nfs/dbraw/zinc/07/89/36/556078936.db2.gz WIXGAAMBXPMAMO-GOSISDBHSA-N 0 0 440.301 3.977 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccs2)c(OC)cc1Cl ZINC000006237912 556081517 /nfs/dbraw/zinc/08/15/17/556081517.db2.gz NDPFKHBMLBVNKD-KRWDZBQOSA-N 0 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Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002704493 556123855 /nfs/dbraw/zinc/12/38/55/556123855.db2.gz PGADEZSTCFXARR-UHFFFAOYSA-N 0 0 428.510 3.631 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)no1 ZINC000002719995 556126499 /nfs/dbraw/zinc/12/64/99/556126499.db2.gz YPMZEJOVTCSYIX-UHFFFAOYSA-N 0 0 434.930 3.561 50 0 IHAARN Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000002782553 556138297 /nfs/dbraw/zinc/13/82/97/556138297.db2.gz QPASVPAUQXUUMD-MRVPVSSYSA-N 0 0 448.904 3.995 50 0 IHAARN Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c1Cl ZINC000002776954 556140809 /nfs/dbraw/zinc/14/08/09/556140809.db2.gz ONTJRBSRQITDKI-GFCCVEGCSA-N 0 0 447.992 3.997 50 0 IHAARN Cc1ccnn1Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000002809119 556146948 /nfs/dbraw/zinc/14/69/48/556146948.db2.gz DPGLCVUKSBLMDU-UHFFFAOYSA-N 0 0 429.836 3.608 50 0 IHAARN Cc1nn(CCCNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)c1Cl ZINC000002809690 556147317 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0 IHAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1nnc(-c2ccccc2)s1 ZINC000008399794 556165681 /nfs/dbraw/zinc/16/56/81/556165681.db2.gz JKCOARFCDZCCOE-UHFFFAOYSA-N 0 0 428.473 3.983 50 0 IHAARN COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000008425382 556168341 /nfs/dbraw/zinc/16/83/41/556168341.db2.gz IZXJNQOSTXTLGM-LJQANCHMSA-N 0 0 447.944 3.797 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000008583830 556187945 /nfs/dbraw/zinc/18/79/45/556187945.db2.gz ZAVCGAYDAALQJT-HXUWFJFHSA-N 0 0 435.480 3.582 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(C(c3c(C)[nH][nH]c3=O)c3c(C)[nH][nH]c3=O)cc2)cc1 ZINC000008590016 556188626 /nfs/dbraw/zinc/18/86/26/556188626.db2.gz BTSOZOIZNNYIQQ-UHFFFAOYSA-N 0 0 434.452 3.569 50 0 IHAARN Cn1c2nc(Oc3ccccc3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008595470 556190249 /nfs/dbraw/zinc/19/02/49/556190249.db2.gz QZVSAQKNYPGFGC-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008745068 556208789 /nfs/dbraw/zinc/20/87/89/556208789.db2.gz BWNPWHKTYLGQAR-UHFFFAOYSA-N 0 0 437.279 3.769 50 0 IHAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)cc21 ZINC000008745527 556209098 /nfs/dbraw/zinc/20/90/98/556209098.db2.gz NSCYQHSMDAEQFD-HNNXBMFYSA-N 0 0 448.548 3.803 50 0 IHAARN COc1cccc(CN(C(=O)CN(C)Cc2cnn(C)c2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000032540097 556224165 /nfs/dbraw/zinc/22/41/65/556224165.db2.gz PRKMPNHWEKQDBL-UHFFFAOYSA-N 0 0 436.600 3.858 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(OC)ccc2OC)C1=O ZINC000008920238 556233075 /nfs/dbraw/zinc/23/30/75/556233075.db2.gz CLNVNOYQAZSLCB-NRFANRHFSA-N 0 0 448.313 3.684 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@](O)([C@H](C)C(=O)c3ccccc3)C2=O)cc1OC ZINC000008919047 556233101 /nfs/dbraw/zinc/23/31/01/556233101.db2.gz RWASCRWLVRICNW-WGDIFIGCSA-N 0 0 431.488 3.957 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CC1)Nc1nncs1 ZINC000009143027 556249315 /nfs/dbraw/zinc/24/93/15/556249315.db2.gz 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O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000009435626 556291547 /nfs/dbraw/zinc/29/15/47/556291547.db2.gz QEUXTBPRMWXTLL-CXAGYDPISA-N 0 0 434.374 3.795 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000009463993 556293265 /nfs/dbraw/zinc/29/32/65/556293265.db2.gz KBUHCSMMRORUNP-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN COC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013727084 556293580 /nfs/dbraw/zinc/29/35/80/556293580.db2.gz UHPSUEWIPLWRLL-INIZCTEOSA-N 0 0 430.840 3.993 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000009525826 556296037 /nfs/dbraw/zinc/29/60/37/556296037.db2.gz QNKCNTAENVDFNA-UHFFFAOYSA-N 0 0 425.506 3.802 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009525975 556296712 /nfs/dbraw/zinc/29/67/12/556296712.db2.gz RFOCCUDFMSFECE-GFCCVEGCSA-N 0 0 437.279 3.537 50 0 IHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000032740822 556302109 /nfs/dbraw/zinc/30/21/09/556302109.db2.gz BNTMSJYFFAJINR-UHFFFAOYSA-N 0 0 439.899 3.628 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)c1 ZINC000009614749 556304042 /nfs/dbraw/zinc/30/40/42/556304042.db2.gz JWMIIUALQLFRAG-DOTOQJQBSA-N 0 0 436.537 3.885 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)c1 ZINC000009763076 556308668 /nfs/dbraw/zinc/30/86/68/556308668.db2.gz YFDAWABJBWNWDA-UHFFFAOYSA-N 0 0 445.548 3.938 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1CCc1ccccc1 ZINC000009830368 556310731 /nfs/dbraw/zinc/31/07/31/556310731.db2.gz LRLYCPDAYLZRAH-UHFFFAOYSA-N 0 0 446.532 3.774 50 0 IHAARN COc1ccc(Cn2c(SCC(=O)Nc3cccc(C)c3)nc3ncccc3c2=O)cc1 ZINC000009830357 556310744 /nfs/dbraw/zinc/31/07/44/556310744.db2.gz MZXQLOHMGZCABB-UHFFFAOYSA-N 0 0 446.532 3.888 50 0 IHAARN COc1ccc(Cn2c(SCC(=O)c3ccc(F)cc3)nc3ncccc3c2=O)cc1 ZINC000009830354 556310749 /nfs/dbraw/zinc/31/07/49/556310749.db2.gz AQTCUQVMCDDEQL-UHFFFAOYSA-N 0 0 435.480 3.963 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ncccc3c2=O)c1 ZINC000009830395 556310757 /nfs/dbraw/zinc/31/07/57/556310757.db2.gz SHEOQZDOUXUPOA-UHFFFAOYSA-N 0 0 432.505 3.829 50 0 IHAARN CC[C@H](Sc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000009830448 556310984 /nfs/dbraw/zinc/31/09/84/556310984.db2.gz STDZESKSBZKFDL-AEFFLSMTSA-N 0 0 442.516 3.619 50 0 IHAARN Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C ZINC000032745114 556314388 /nfs/dbraw/zinc/31/43/88/556314388.db2.gz ZCSOHTBUGBVCLK-HSZRJFAPSA-N 0 0 437.540 3.532 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2O)cc1 ZINC000009908970 556316362 /nfs/dbraw/zinc/31/63/62/556316362.db2.gz PMEAJRJSCNAAJP-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN COc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000009933412 556316809 /nfs/dbraw/zinc/31/68/09/556316809.db2.gz RTWZVWAYOLNVCS-UHFFFAOYSA-N 0 0 430.504 3.726 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009934048 556317916 /nfs/dbraw/zinc/31/79/16/556317916.db2.gz QGGHNSFXUSDQTM-FQEVSTJZSA-N 0 0 425.460 3.943 50 0 IHAARN CC(C)c1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)n2)cc1 ZINC000032759469 556319815 /nfs/dbraw/zinc/31/98/15/556319815.db2.gz GVRYLPDXUNYVBV-UHFFFAOYSA-N 0 0 437.519 3.755 50 0 IHAARN CC(C)Oc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000013858166 556321765 /nfs/dbraw/zinc/32/17/65/556321765.db2.gz WKKJEHLSXPJOKU-UHFFFAOYSA-N 0 0 441.347 3.641 50 0 IHAARN CCOc1cccc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)c1OC(F)F ZINC000032753644 556323198 /nfs/dbraw/zinc/32/31/98/556323198.db2.gz UTUOOXYPGMHBAI-UHFFFAOYSA-N 0 0 433.407 3.806 50 0 IHAARN CCOC(=O)c1cc(OS(=O)(=O)c2ccc(F)cc2Cl)cc(C(=O)OCC)c1 ZINC000032755213 556324320 /nfs/dbraw/zinc/32/43/20/556324320.db2.gz JUPDNFARMIDCPL-UHFFFAOYSA-N 0 0 430.837 3.600 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 ZINC000010232596 556327847 /nfs/dbraw/zinc/32/78/47/556327847.db2.gz TZIILEQKVUXCHS-KRWDZBQOSA-N 0 0 436.273 3.601 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(C)cc3)n1C)CCC2 ZINC000010263882 556328728 /nfs/dbraw/zinc/32/87/28/556328728.db2.gz MTYMYGPITJXMEH-UHFFFAOYSA-N 0 0 442.566 3.858 50 0 IHAARN O=C(Cc1nc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1)NCc1ccccc1 ZINC000032765454 556332921 /nfs/dbraw/zinc/33/29/21/556332921.db2.gz JDAJUENFISMXAH-UHFFFAOYSA-N 0 0 449.557 3.864 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(CC)c2ccc(F)cc2)c(Br)c1 ZINC000032770691 556334842 /nfs/dbraw/zinc/33/48/42/556334842.db2.gz HXSGHKODBHNPIE-UHFFFAOYSA-N 0 0 430.295 3.980 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000013944309 556341310 /nfs/dbraw/zinc/34/13/10/556341310.db2.gz RHPVKYJROFEKEH-MRXNPFEDSA-N 0 0 435.509 3.578 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000011500022 556341336 /nfs/dbraw/zinc/34/13/36/556341336.db2.gz VMZBZFJGHWKWHN-SXWSKBOKSA-N 0 0 433.464 3.706 50 0 IHAARN Cc1cc(NC(=S)NC(=O)COc2ccccc2)cc(C)c1I ZINC000013946226 556343718 /nfs/dbraw/zinc/34/37/18/556343718.db2.gz AUILFOUTIZJKIV-UHFFFAOYSA-N 0 0 440.306 3.800 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000013955624 556344861 /nfs/dbraw/zinc/34/48/61/556344861.db2.gz UOXXBXZFBJUJPO-ISKFKSNPSA-N 0 0 447.535 3.807 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000032781138 556347283 /nfs/dbraw/zinc/34/72/83/556347283.db2.gz NMWXMXUOWWLVQB-PKTZIBPZSA-N 0 0 445.563 3.825 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000032781146 556347324 /nfs/dbraw/zinc/34/73/24/556347324.db2.gz NMWXMXUOWWLVQB-XZOQPEGZSA-N 0 0 445.563 3.825 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000011701995 556347319 /nfs/dbraw/zinc/34/73/19/556347319.db2.gz RCGBLABTQUAJBX-RUZDIDTESA-N 0 0 441.499 3.902 50 0 IHAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1nc2ncccn2n1 ZINC000011753474 556348417 /nfs/dbraw/zinc/34/84/17/556348417.db2.gz REJNWLHTFVCYLH-JOCHJYFZSA-N 0 0 438.491 3.792 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000013985734 556351869 /nfs/dbraw/zinc/35/18/69/556351869.db2.gz PMNWFBPBHKRELR-UHFFFAOYSA-N 0 0 431.558 3.957 50 0 IHAARN COCCn1c(C)cc(=O)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1CC1CCCC1 ZINC000011785001 556352777 /nfs/dbraw/zinc/35/27/77/556352777.db2.gz ANXUFJRUQDKMBH-KRWDZBQOSA-N 0 0 436.556 3.903 50 0 IHAARN COC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000011788043 556354221 /nfs/dbraw/zinc/35/42/21/556354221.db2.gz UNYLTXSCLNMVQM-WXVAWEFUSA-N 0 0 448.563 3.610 50 0 IHAARN COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C)C1=O ZINC000011788075 556354541 /nfs/dbraw/zinc/35/45/41/556354541.db2.gz XGWBIGBGJWSESP-DVECYGJZSA-N 0 0 440.927 3.729 50 0 IHAARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789236 556354949 /nfs/dbraw/zinc/35/49/49/556354949.db2.gz UNVDAAOVFRPSOJ-HSZRJFAPSA-N 0 0 442.922 3.986 50 0 IHAARN Cn1ccnc1[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789362 556355021 /nfs/dbraw/zinc/35/50/21/556355021.db2.gz CSMHCHZANKBBJX-CVDCTZTESA-N 0 0 428.964 3.799 50 0 IHAARN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789774 556355367 /nfs/dbraw/zinc/35/53/67/556355367.db2.gz RYXGTXZXFKJKCG-VFNWGFHPSA-N 0 0 436.462 3.936 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000022933194 556357426 /nfs/dbraw/zinc/35/74/26/556357426.db2.gz YFTIQNQGRHRPJA-UHFFFAOYSA-N 0 0 439.947 3.709 50 0 IHAARN COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000014069521 556360386 /nfs/dbraw/zinc/36/03/86/556360386.db2.gz QHANBAWPQRDMEJ-LLVKDONJSA-N 0 0 434.319 3.553 50 0 IHAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2)cc1 ZINC000014071457 556361048 /nfs/dbraw/zinc/36/10/48/556361048.db2.gz OEGCOQMDAOBDFB-QHCPKHFHSA-N 0 0 440.521 3.730 50 0 IHAARN COc1cc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc(OC)c1OC ZINC000032796234 556361146 /nfs/dbraw/zinc/36/11/46/556361146.db2.gz AUNFKJIELZPDKT-LBPRGKRZSA-N 0 0 438.402 3.723 50 0 IHAARN CN(Cc1nccn1C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000011819738 556361392 /nfs/dbraw/zinc/36/13/92/556361392.db2.gz VZGCIMUTNYLJFF-UHFFFAOYSA-N 0 0 448.958 3.552 50 0 IHAARN O=C(CN1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000032802504 556365036 /nfs/dbraw/zinc/36/50/36/556365036.db2.gz WXONJLOLQQWLTF-LJQANCHMSA-N 0 0 446.473 3.659 50 0 IHAARN COC(=O)c1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc(NC(=O)Cn2cccn2)c1 ZINC000011868173 556368583 /nfs/dbraw/zinc/36/85/83/556368583.db2.gz QFFSTNJCLTVBJE-UHFFFAOYSA-N 0 0 448.523 3.536 50 0 IHAARN COC[C@H]1CCCN(C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)C1 ZINC000011871794 556368935 /nfs/dbraw/zinc/36/89/35/556368935.db2.gz SBPMZDQYLVOSAL-NRFANRHFSA-N 0 0 446.551 3.861 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)s1 ZINC000032808679 556369126 /nfs/dbraw/zinc/36/91/26/556369126.db2.gz BQIGPIJDARHVLD-UHFFFAOYSA-N 0 0 430.935 3.517 50 0 IHAARN CCOc1ncccc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 ZINC000014117083 556371234 /nfs/dbraw/zinc/37/12/34/556371234.db2.gz AMUDVQZIRXXLNG-UHFFFAOYSA-N 0 0 443.554 3.932 50 0 IHAARN Cn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nnc1-c1ccncc1 ZINC000014117313 556371282 /nfs/dbraw/zinc/37/12/82/556371282.db2.gz JRZVNYKEVWAJDB-MRXNPFEDSA-N 0 0 434.481 3.533 50 0 IHAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000014121206 556371858 /nfs/dbraw/zinc/37/18/58/556371858.db2.gz ADPHHFOWEGIKQE-HSZRJFAPSA-N 0 0 440.478 3.731 50 0 IHAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N(C)Cc2nccs2)C3)c1 ZINC000011881692 556373279 /nfs/dbraw/zinc/37/32/79/556373279.db2.gz GUIBWOCTEGFOLX-CQSZACIVSA-N 0 0 440.550 3.564 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000014129074 556374243 /nfs/dbraw/zinc/37/42/43/556374243.db2.gz QILAOEBHCLHAOR-LJQANCHMSA-N 0 0 439.943 3.635 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc(Br)c1OC ZINC000014129424 556374524 /nfs/dbraw/zinc/37/45/24/556374524.db2.gz JZRMPODBIARPSS-CHWSQXEVSA-N 0 0 428.323 3.803 50 0 IHAARN O=C(Cc1cccc(F)c1)Nc1cnn(-c2ccc(C(=O)NCCc3cccnc3)cc2)c1 ZINC000011913688 556376252 /nfs/dbraw/zinc/37/62/52/556376252.db2.gz MXWXXQUPGDFPHW-UHFFFAOYSA-N 0 0 443.482 3.560 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000014161062 556378137 /nfs/dbraw/zinc/37/81/37/556378137.db2.gz AHMWJCIOIWTYPI-UHFFFAOYSA-N 0 0 433.541 3.719 50 0 IHAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@H]1CCn1ccnc1 ZINC000011935296 556378343 /nfs/dbraw/zinc/37/83/43/556378343.db2.gz HIAWHPPXEZILTL-FQEVSTJZSA-N 0 0 446.555 3.937 50 0 IHAARN CN(CC(=O)N1CCN(C)CC1)c1cc(-c2nc3ccccc3s2)c2ccccc2n1 ZINC000014164986 556379484 /nfs/dbraw/zinc/37/94/84/556379484.db2.gz MZUOQRRAOFXGLL-UHFFFAOYSA-N 0 0 431.565 3.722 50 0 IHAARN O=C([C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCC(Cn2cccn2)CC1 ZINC000011944710 556379949 /nfs/dbraw/zinc/37/99/49/556379949.db2.gz IPEAGWLOFLTZNI-LJQANCHMSA-N 0 0 448.489 3.579 50 0 IHAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1cc2ccccc2o1 ZINC000014168428 556380590 /nfs/dbraw/zinc/38/05/90/556380590.db2.gz LBYDBPKFZWAMFE-UHFFFAOYSA-N 0 0 434.521 3.884 50 0 IHAARN Cc1ccc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)s1 ZINC000011998145 556384811 /nfs/dbraw/zinc/38/48/11/556384811.db2.gz JLEKDLGMLSVIKF-QGZVFWFLSA-N 0 0 428.583 3.897 50 0 IHAARN CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000011998196 556384855 /nfs/dbraw/zinc/38/48/55/556384855.db2.gz KNEVWWNDAVKKLB-ZMCQLTRBSA-N 0 0 440.559 3.907 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000014186209 556386153 /nfs/dbraw/zinc/38/61/53/556386153.db2.gz IPKSFFXRELDVCT-UHFFFAOYSA-N 0 0 439.987 3.579 50 0 IHAARN O=C(COc1ccc2c(c1)CCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000014189918 556387721 /nfs/dbraw/zinc/38/77/21/556387721.db2.gz ZXHPTEZFMBHOCE-UHFFFAOYSA-N 0 0 434.945 3.631 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@H](C)N(c4ccc(C)cc4)C3=O)ccc2c1 ZINC000014196988 556388835 /nfs/dbraw/zinc/38/88/35/556388835.db2.gz WJBZJHYSYCSIPL-SFHVURJKSA-N 0 0 445.519 3.973 50 0 IHAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4cccnc4)C3)nc(C)c2c1 ZINC000012034259 556389161 /nfs/dbraw/zinc/38/91/61/556389161.db2.gz ZTYGWTKHVBYVNP-FQEVSTJZSA-N 0 0 433.556 3.697 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000014200511 556391160 /nfs/dbraw/zinc/39/11/60/556391160.db2.gz YCAJHXVTZAEMEJ-SNVBAGLBSA-N 0 0 433.584 3.545 50 0 IHAARN O=C(Nc1cccc(N2CCOC2=O)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032816844 556392812 /nfs/dbraw/zinc/39/28/12/556392812.db2.gz CDBRWVUVMBLBNS-UHFFFAOYSA-N 0 0 434.418 3.912 50 0 IHAARN COc1ccc(-c2noc(CN3CCCOc4c(cccc4OC)C3)n2)c(OC)c1OC ZINC000012055569 556393874 /nfs/dbraw/zinc/39/38/74/556393874.db2.gz WVSIWRPXXUSFBK-UHFFFAOYSA-N 0 0 441.484 3.556 50 0 IHAARN COc1ccc2c(C)nc(N3CCC(C(=O)NCc4c(F)cccc4F)CC3)nc2c1 ZINC000012054945 556393901 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CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000014242166 556402697 /nfs/dbraw/zinc/40/26/97/556402697.db2.gz PYDXANKFMXNJQW-UHFFFAOYSA-N 0 0 447.322 3.581 50 0 IHAARN C[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014242615 556403186 /nfs/dbraw/zinc/40/31/86/556403186.db2.gz FRRKEFRMFQMBOO-QWRGUYRKSA-N 0 0 446.583 3.732 50 0 IHAARN Cc1ccccc1[C@H](C)NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022929894 556403605 /nfs/dbraw/zinc/40/36/05/556403605.db2.gz PGAASDMXSXCOKH-INIZCTEOSA-N 0 0 436.419 3.814 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000014244524 556404246 /nfs/dbraw/zinc/40/42/46/556404246.db2.gz IQJTYTKCRBOFML-ZCNNSNEGSA-N 0 0 426.513 3.558 50 0 IHAARN Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c(C)c1 ZINC000014245146 556405076 /nfs/dbraw/zinc/40/50/76/556405076.db2.gz MSAOEVQLXODGFV-UHFFFAOYSA-N 0 0 441.578 3.930 50 0 IHAARN Cc1cc(-c2cc(C(=O)NCC(=O)NCc3ccccc3)c3c(C)noc3n2)c(C)s1 ZINC000032583736 556405142 /nfs/dbraw/zinc/40/51/42/556405142.db2.gz VIZGZJVVCPMHIS-UHFFFAOYSA-N 0 0 434.521 3.923 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)o1 ZINC000014245337 556405200 /nfs/dbraw/zinc/40/52/00/556405200.db2.gz IXYKKKUFUDGJKC-UHFFFAOYSA-N 0 0 430.570 3.526 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032815219 556407178 /nfs/dbraw/zinc/40/71/78/556407178.db2.gz TZXKGKWPSBXOLX-OAHLLOKOSA-N 0 0 432.329 3.780 50 0 IHAARN CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000032594639 556407653 /nfs/dbraw/zinc/40/76/53/556407653.db2.gz ZAKUGGPVOJYUBM-DINDLPBHSA-N 0 0 428.457 3.787 50 0 IHAARN Cc1cc(C)c2c(c1)oc1c(c2=O)[C@H](c2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000032622232 556409692 /nfs/dbraw/zinc/40/96/92/556409692.db2.gz OSMDPLIJPSJAPL-QHCPKHFHSA-N 0 0 432.520 3.677 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 ZINC000032623330 556410475 /nfs/dbraw/zinc/41/04/75/556410475.db2.gz 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COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1 ZINC000059768447 556414839 /nfs/dbraw/zinc/41/48/39/556414839.db2.gz UNUXUJBWHURDHH-UHFFFAOYSA-N 0 0 428.304 3.500 50 0 IHAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000032674284 556415315 /nfs/dbraw/zinc/41/53/15/556415315.db2.gz LFQJLHAOSAJZNM-ZDTAZNBCSA-N 0 0 440.584 3.642 50 0 IHAARN CCCn1c2ccccc2n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1=O ZINC000032830280 556416793 /nfs/dbraw/zinc/41/67/93/556416793.db2.gz XJZUOJVKZCRWDG-LJQANCHMSA-N 0 0 435.524 3.738 50 0 IHAARN CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012975999 556421565 /nfs/dbraw/zinc/42/15/65/556421565.db2.gz UJXPIOSCFWZGAZ-UHFFFAOYSA-N 0 0 425.554 3.688 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1ccc(Cl)cn1 ZINC000012982904 556425449 /nfs/dbraw/zinc/42/54/49/556425449.db2.gz GFATZWJVKGDUSZ-UHFFFAOYSA-N 0 0 435.233 3.916 50 0 IHAARN CCC1(CC)C[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 ZINC000014542355 556426118 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ZINC000013016861 556438376 /nfs/dbraw/zinc/43/83/76/556438376.db2.gz KGIMSBGGEBVAFJ-CALCHBBNSA-N 0 0 439.943 3.667 50 0 IHAARN O=C(c1cc(Cl)nc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013037773 556443208 /nfs/dbraw/zinc/44/32/08/556443208.db2.gz KPSVLAYFCBYCGN-HNNXBMFYSA-N 0 0 448.910 3.946 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000028071690 556443620 /nfs/dbraw/zinc/44/36/20/556443620.db2.gz TWNIIQROVNPMDK-UHFFFAOYSA-N 0 0 429.542 3.704 50 0 IHAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H]1CCCCCC1=O ZINC000028188765 556444570 /nfs/dbraw/zinc/44/45/70/556444570.db2.gz TWBWIGVCSJLUKS-MRXNPFEDSA-N 0 0 425.348 3.799 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1C ZINC000032859548 556445761 /nfs/dbraw/zinc/44/57/61/556445761.db2.gz RCQQBJFIHTXGEI-PEBXRYMYSA-N 0 0 431.920 3.616 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)sc2C)cc1 ZINC000013040696 556446415 /nfs/dbraw/zinc/44/64/15/556446415.db2.gz NCOMEPGJRRIFDI-UHFFFAOYSA-N 0 0 442.541 3.566 50 0 IHAARN O=C(CN1CCc2ccccc21)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000013041123 556447236 /nfs/dbraw/zinc/44/72/36/556447236.db2.gz GFIPSXDDJHONBT-UYRXBGFRSA-N 0 0 441.940 3.555 50 0 IHAARN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCOCC2)cc1 ZINC000028292457 556450640 /nfs/dbraw/zinc/45/06/40/556450640.db2.gz FJTVORKJNWPTRG-QFIPXVFZSA-N 0 0 434.536 3.894 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)Nc2cccnc2Cl)cc1 ZINC000013063012 556451381 /nfs/dbraw/zinc/45/13/81/556451381.db2.gz JMYJFJHCCINRDU-UHFFFAOYSA-N 0 0 429.860 3.643 50 0 IHAARN O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 ZINC000013068335 556452283 /nfs/dbraw/zinc/45/22/83/556452283.db2.gz JNUHJUUQUIWFRP-UHFFFAOYSA-N 0 0 437.521 3.693 50 0 IHAARN CCOc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013070485 556453184 /nfs/dbraw/zinc/45/31/84/556453184.db2.gz YKPOOODWVNYRIV-UXHICEINSA-N 0 0 438.915 3.663 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000013074563 556455043 /nfs/dbraw/zinc/45/50/43/556455043.db2.gz IGFPUPUZRQXHHP-INIZCTEOSA-N 0 0 435.505 3.599 50 0 IHAARN O=C(CSc1nc(-c2ccco2)nc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000032868649 556455867 /nfs/dbraw/zinc/45/58/67/556455867.db2.gz KYHJNLBHKOIJGM-UHFFFAOYSA-N 0 0 448.504 3.560 50 0 IHAARN CCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000013095778 556456578 /nfs/dbraw/zinc/45/65/78/556456578.db2.gz PBMRYBLULHMPKX-UHFFFAOYSA-N 0 0 448.475 3.762 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cccc(C)c3O)cc2)cc1 ZINC000013100519 556459870 /nfs/dbraw/zinc/45/98/70/556459870.db2.gz MWVMQROPQJQQIK-UHFFFAOYSA-N 0 0 434.448 3.757 50 0 IHAARN C[C@@H](Cc1cnccn1)NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000014949671 556460219 /nfs/dbraw/zinc/46/02/19/556460219.db2.gz NISUFWOJBUAVED-HNNXBMFYSA-N 0 0 425.920 3.663 50 0 IHAARN Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013108047 556461769 /nfs/dbraw/zinc/46/17/69/556461769.db2.gz XVXNHXGQAMRECI-KRWDZBQOSA-N 0 0 433.434 3.839 50 0 IHAARN Cc1ccc(SC2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3cccs3)CC2)cc1 ZINC000014962447 556464176 /nfs/dbraw/zinc/46/41/76/556464176.db2.gz VZYLQLRNPXFALJ-OAQYLSRUSA-N 0 0 443.638 3.530 50 0 IHAARN CN(CC(=O)NCc1ccco1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000029079942 556467090 /nfs/dbraw/zinc/46/70/90/556467090.db2.gz YIAWOOAXQABAFJ-UHFFFAOYSA-N 0 0 440.809 3.526 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)c2ccccc2OC)cc1 ZINC000013114517 556467161 /nfs/dbraw/zinc/46/71/61/556467161.db2.gz AMLJIQMBILLDSF-UHFFFAOYSA-N 0 0 444.475 3.935 50 0 IHAARN CCc1ccc([C@@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cccc(F)c2)cc1 ZINC000013114867 556467527 /nfs/dbraw/zinc/46/75/27/556467527.db2.gz SRXLLFMIDNBXBK-RUZDIDTESA-N 0 0 449.526 3.645 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cn1nnc3ccccc31)CC2 ZINC000013116124 556468551 /nfs/dbraw/zinc/46/85/51/556468551.db2.gz UBTFWYKQOQDATN-QHCPKHFHSA-N 0 0 434.521 3.684 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COc2ccccc2-c2ccccc2)C1=O ZINC000013118110 556471521 /nfs/dbraw/zinc/47/15/21/556471521.db2.gz ZDXOZZKFJRJQCB-AREMUKBSSA-N 0 0 443.503 3.707 50 0 IHAARN Cc1nc(Cc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)o2)cs1 ZINC000013120651 556472563 /nfs/dbraw/zinc/47/25/63/556472563.db2.gz GTZGDSQKYAJENF-UHFFFAOYSA-N 0 0 428.583 3.999 50 0 IHAARN O=C(Cc1ccsc1)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 ZINC000014986314 556472635 /nfs/dbraw/zinc/47/26/35/556472635.db2.gz BSYRBTMNDAIMAH-UHFFFAOYSA-N 0 0 435.578 3.934 50 0 IHAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CC(Cc4ccc5c(c4)OCO5)=NO3)c2)n1 ZINC000014986506 556472671 /nfs/dbraw/zinc/47/26/71/556472671.db2.gz MGRMYYLINJOPRW-XMMPIXPASA-N 0 0 446.507 3.564 50 0 IHAARN Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1CCc1cccs1 ZINC000013120768 556473001 /nfs/dbraw/zinc/47/30/01/556473001.db2.gz JTVPCHMBAXVJNL-UHFFFAOYSA-N 0 0 434.565 3.960 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2cc(-c4ccccc4)no2)CC3)n1 ZINC000014987005 556473097 /nfs/dbraw/zinc/47/30/97/556473097.db2.gz IBPRTRIGQBDPDN-FQEVSTJZSA-N 0 0 430.508 3.604 50 0 IHAARN CNC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000029617793 556479052 /nfs/dbraw/zinc/47/90/52/556479052.db2.gz HOLVBNJJYFEVNB-UHFFFAOYSA-N 0 0 448.445 3.948 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nc(C)c4ccc(C)cc4n3)CC2)c1 ZINC000014999865 556479396 /nfs/dbraw/zinc/47/93/96/556479396.db2.gz USGLLRIQIAYMNJ-UHFFFAOYSA-N 0 0 434.540 3.797 50 0 IHAARN Cc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)C1=C(C)OCCO1 ZINC000015002325 556480145 /nfs/dbraw/zinc/48/01/45/556480145.db2.gz NSCFPQOIMQYTSH-UHFFFAOYSA-N 0 0 433.464 3.797 50 0 IHAARN Cn1c(CCNC(=O)C(c2ccccc2)c2ccccc2)nnc1SCc1ccccn1 ZINC000015004035 556480877 /nfs/dbraw/zinc/48/08/77/556480877.db2.gz KITWXIMNCVQXMC-UHFFFAOYSA-N 0 0 443.576 3.993 50 0 IHAARN CCCCOCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccc(Br)cc1 ZINC000072288264 556481003 /nfs/dbraw/zinc/48/10/03/556481003.db2.gz COBXUKHXBXZYAI-OAHLLOKOSA-N 0 0 434.396 3.811 50 0 IHAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)c2)n1 ZINC000015008880 556482525 /nfs/dbraw/zinc/48/25/25/556482525.db2.gz VGKMCKCYEBXOTE-RUZDIDTESA-N 0 0 434.540 3.712 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000029777559 556482553 /nfs/dbraw/zinc/48/25/53/556482553.db2.gz CHJQOGSBJSEYHD-HSZRJFAPSA-N 0 0 443.906 3.827 50 0 IHAARN CN(Cc1ccsc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015008890 556482610 /nfs/dbraw/zinc/48/26/10/556482610.db2.gz NNHCDKUBHQAIBS-UHFFFAOYSA-N 0 0 425.598 3.871 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)nc2n1 ZINC000029807808 556483095 /nfs/dbraw/zinc/48/30/95/556483095.db2.gz KYNVMKHUNWTKLM-HNNXBMFYSA-N 0 0 438.538 3.866 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000015015793 556485197 /nfs/dbraw/zinc/48/51/97/556485197.db2.gz AJJMFTLTBNQRAY-GOSISDBHSA-N 0 0 447.354 3.994 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000029882636 556485519 /nfs/dbraw/zinc/48/55/19/556485519.db2.gz IXZISQDYQBXWLT-SANMLTNESA-N 0 0 427.504 3.966 50 0 IHAARN Cc1ccc([C@H](NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000029882637 556485599 /nfs/dbraw/zinc/48/55/99/556485599.db2.gz IXZISQDYQBXWLT-AREMUKBSSA-N 0 0 427.504 3.966 50 0 IHAARN COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl ZINC000029895830 556485809 /nfs/dbraw/zinc/48/58/09/556485809.db2.gz VEAYJGHPBUJHFO-UTKZUKDTSA-N 0 0 444.915 3.830 50 0 IHAARN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 ZINC000030013200 556489278 /nfs/dbraw/zinc/48/92/78/556489278.db2.gz CTIQLONEYICSND-UHFFFAOYSA-N 0 0 438.553 3.776 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CNC(=O)c2cccc(F)c2)c2ccccc2)c1 ZINC000013148620 556490035 /nfs/dbraw/zinc/49/00/35/556490035.db2.gz MNAAMYZOAUIDSO-HSZRJFAPSA-N 0 0 448.450 3.681 50 0 IHAARN O=c1cc(CSCc2cc(=O)n3ccccc3n2)nc2scc(-c3ccccc3)n21 ZINC000013149221 556490984 /nfs/dbraw/zinc/49/09/84/556490984.db2.gz FHAMBGWPJGUYTQ-UHFFFAOYSA-N 0 0 432.530 3.864 50 0 IHAARN Cc1ccccc1NC(=O)Cc1nc(CN(C)CC(=O)Nc2cccc(F)c2)cs1 ZINC000013149900 556491507 /nfs/dbraw/zinc/49/15/07/556491507.db2.gz VPYLREGKXZLHKN-UHFFFAOYSA-N 0 0 426.517 3.842 50 0 IHAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(CN(C)C)o2)C1 ZINC000015065719 556492766 /nfs/dbraw/zinc/49/27/66/556492766.db2.gz IEDKTYWFEHAQCS-DEOSSOPVSA-N 0 0 428.529 3.596 50 0 IHAARN COc1ccc(C)cc1-n1c(S[C@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O ZINC000011066559 556493584 /nfs/dbraw/zinc/49/35/84/556493584.db2.gz JRHIAYBFXCMMBN-CYBMUJFWSA-N 0 0 431.945 3.925 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccco4)o3)c2c1C ZINC000013163672 556494516 /nfs/dbraw/zinc/49/45/16/556494516.db2.gz JSRWKBRUDNLPBV-UHFFFAOYSA-N 0 0 429.527 3.935 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 ZINC000013163703 556494523 /nfs/dbraw/zinc/49/45/23/556494523.db2.gz ITSPSQFUANKGOR-UHFFFAOYSA-N 0 0 449.507 3.595 50 0 IHAARN CCc1nccn1CCC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(OC)cc2C)C1 ZINC000015070991 556495874 /nfs/dbraw/zinc/49/58/74/556495874.db2.gz GJAJATFKUYJFMV-LJQANCHMSA-N 0 0 426.561 3.810 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000013164863 556497272 /nfs/dbraw/zinc/49/72/72/556497272.db2.gz JGVXPIMHIXPDTL-HNNXBMFYSA-N 0 0 442.566 3.742 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CN1CCc3sccc3[C@H]1c1ccccc1)CCC2 ZINC000013164800 556497396 /nfs/dbraw/zinc/49/73/96/556497396.db2.gz MRRYZSVPLHNTPD-OAQYLSRUSA-N 0 0 437.590 3.983 50 0 IHAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013164924 556497619 /nfs/dbraw/zinc/49/76/19/556497619.db2.gz PHSNDICWFDTTBD-CYBMUJFWSA-N 0 0 426.498 3.939 50 0 IHAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000030669395 556501820 /nfs/dbraw/zinc/50/18/20/556501820.db2.gz QRBKRWRPUAQGJG-OALUTQOASA-N 0 0 434.565 3.894 50 0 IHAARN Cc1nc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C ZINC000032878905 556502577 /nfs/dbraw/zinc/50/25/77/556502577.db2.gz NNSQEULOXHLVPF-LBPRGKRZSA-N 0 0 434.566 3.833 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 ZINC000032882890 556509405 /nfs/dbraw/zinc/50/94/05/556509405.db2.gz XZFSTVRILHTMBB-RTBURBONSA-N 0 0 434.515 3.960 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000030857444 556510418 /nfs/dbraw/zinc/51/04/18/556510418.db2.gz NVMPZJPTDXQVOR-UHFFFAOYSA-N 0 0 441.487 3.502 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000032888536 556511420 /nfs/dbraw/zinc/51/14/20/556511420.db2.gz AMBMLOIRAVGZGA-XMMPIXPASA-N 0 0 449.576 3.945 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000015227901 556512695 /nfs/dbraw/zinc/51/26/95/556512695.db2.gz XCVYSAOCGDRTIX-UHFFFAOYSA-N 0 0 447.409 3.976 50 0 IHAARN COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072294603 556514260 /nfs/dbraw/zinc/51/42/60/556514260.db2.gz DQLXHJPKZQEOFI-DEOSSOPVSA-N 0 0 445.519 3.787 50 0 IHAARN COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000072294604 556514336 /nfs/dbraw/zinc/51/43/36/556514336.db2.gz DQLXHJPKZQEOFI-XMMPIXPASA-N 0 0 445.519 3.787 50 0 IHAARN CSCC[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000030911525 556515046 /nfs/dbraw/zinc/51/50/46/556515046.db2.gz STHSOSLLIVMYIU-HXUWFJFHSA-N 0 0 435.553 3.664 50 0 IHAARN C[C@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013551678 556515277 /nfs/dbraw/zinc/51/52/77/556515277.db2.gz FCLSLXNMGZANJM-VIFPVBQESA-N 0 0 435.340 3.981 50 0 IHAARN CCOC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2OC)C1=O ZINC000013557204 556517153 /nfs/dbraw/zinc/51/71/53/556517153.db2.gz SOWNXVVDMHRSBX-NRFANRHFSA-N 0 0 449.429 3.531 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccccn2)o1 ZINC000013566174 556518966 /nfs/dbraw/zinc/51/89/66/556518966.db2.gz CFPKFWBBJZZJIL-UHFFFAOYSA-N 0 0 446.510 3.612 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)[C@@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000072300992 556524174 /nfs/dbraw/zinc/52/41/74/556524174.db2.gz MDOHRWBLNHMQOL-JYFHCDHNSA-N 0 0 446.595 3.593 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@H](c2cccs2)OCC3)c(=O)n(C)c1=O ZINC000013573896 556524382 /nfs/dbraw/zinc/52/43/82/556524382.db2.gz FVOOEPJOBGJNDG-IBGZPJMESA-N 0 0 427.913 3.540 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000032094813 556528448 /nfs/dbraw/zinc/52/84/48/556528448.db2.gz ZEVXFWFSLXSRGJ-JTQLQIEISA-N 0 0 442.804 3.791 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000013592093 556529998 /nfs/dbraw/zinc/52/99/98/556529998.db2.gz BZYMOYWRHFQIJE-UHFFFAOYSA-N 0 0 437.887 3.708 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cc2NC1=O ZINC000015480150 556530244 /nfs/dbraw/zinc/53/02/44/556530244.db2.gz NHPKPUHUKIFJQU-OAHLLOKOSA-N 0 0 428.448 3.885 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1ccccc1F ZINC000032899331 556530487 /nfs/dbraw/zinc/53/04/87/556530487.db2.gz JJOFBDSUEYOCNZ-UHFFFAOYSA-N 0 0 437.349 3.834 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCN(C(=O)C(C)C)CC4)cc3)ccc12 ZINC000015516964 556532571 /nfs/dbraw/zinc/53/25/71/556532571.db2.gz FTXHZQJCLRRCCY-UHFFFAOYSA-N 0 0 448.519 3.621 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC(c2ccccc2)c2ccccc2)cc1 ZINC000015589892 556536570 /nfs/dbraw/zinc/53/65/70/556536570.db2.gz FXZWSSKSAMSDOS-UHFFFAOYSA-N 0 0 440.590 3.516 50 0 IHAARN O=C(/C=C/c1ccccc1Cl)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 ZINC000013624394 556536587 /nfs/dbraw/zinc/53/65/87/556536587.db2.gz WAQINLLZXQQZLW-MDZDMXLPSA-N 0 0 437.905 3.956 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000032901541 556536646 /nfs/dbraw/zinc/53/66/46/556536646.db2.gz QGHWFQAUHBMIHQ-QFIPXVFZSA-N 0 0 430.545 3.907 50 0 IHAARN CCCn1c2ccccc2n(CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1=O ZINC000032901625 556536809 /nfs/dbraw/zinc/53/68/09/556536809.db2.gz AOXGCRSKOUULTB-LJQANCHMSA-N 0 0 437.540 3.984 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)c1 ZINC000032903205 556539291 /nfs/dbraw/zinc/53/92/91/556539291.db2.gz CPNSDBVCRFKUBS-CQSZACIVSA-N 0 0 427.448 3.968 50 0 IHAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000013635168 556540879 /nfs/dbraw/zinc/54/08/79/556540879.db2.gz LLATXXZJLCJMCN-TVFCKZIOSA-N 0 0 445.302 3.731 50 0 IHAARN Cc1nc(NC(=O)c2cc(-c3cnn(C)c3C)no2)sc1-n1ccc(C(F)(F)F)n1 ZINC000013641833 556542591 /nfs/dbraw/zinc/54/25/91/556542591.db2.gz OPIYJFLOQYZYMA-UHFFFAOYSA-N 0 0 437.407 3.605 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000015679388 556543085 /nfs/dbraw/zinc/54/30/85/556543085.db2.gz DQABJVZNTQOXBN-UHFFFAOYSA-N 0 0 441.329 3.810 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)CC2)c1 ZINC000015679180 556543126 /nfs/dbraw/zinc/54/31/26/556543126.db2.gz UUSFMWKVKSBEIT-UHFFFAOYSA-N 0 0 449.507 3.553 50 0 IHAARN C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000032721624 556547224 /nfs/dbraw/zinc/54/72/24/556547224.db2.gz DVLCBSMYNLUBGD-JXFKEZNVSA-N 0 0 435.480 3.787 50 0 IHAARN C[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000072304662 556549107 /nfs/dbraw/zinc/54/91/07/556549107.db2.gz DUWZCCPOHISXAY-WIYYLYMNSA-N 0 0 430.570 3.997 50 0 IHAARN COc1cc(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2)C3)cc(OC)c1 ZINC000015778999 556551184 /nfs/dbraw/zinc/55/11/84/556551184.db2.gz CESMXWDODSKMCO-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015797512 556552106 /nfs/dbraw/zinc/55/21/06/556552106.db2.gz NBBJTSAKIAHURG-UHFFFAOYSA-N 0 0 430.860 3.978 50 0 IHAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)cc1 ZINC000033115085 556554301 /nfs/dbraw/zinc/55/43/01/556554301.db2.gz BWAGGOYQHGNYHT-UHFFFAOYSA-N 0 0 446.551 3.748 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115325 556554865 /nfs/dbraw/zinc/55/48/65/556554865.db2.gz CKLOACJVXXGHNV-NRFANRHFSA-N 0 0 442.581 3.767 50 0 IHAARN CCOC(=O)C[C@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(CO)cc(=O)c1O ZINC000071282960 556559685 /nfs/dbraw/zinc/55/96/85/556559685.db2.gz CCSIWCZNIMYICF-CYBMUJFWSA-N 0 0 441.461 3.793 50 0 IHAARN O=C(NCC[S@@](=O)Cc1ccccc1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306975 556560829 /nfs/dbraw/zinc/56/08/29/556560829.db2.gz GCWZZKRFZXRRFB-DCFHFQCYSA-N 0 0 449.414 3.651 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1oc2ccccc2c1CSC ZINC000015940295 556566260 /nfs/dbraw/zinc/56/62/60/556566260.db2.gz JOGIWXBRCIIPJT-UHFFFAOYSA-N 0 0 434.539 3.807 50 0 IHAARN COc1ccc(C(=O)CSc2nnc3n2CCCN3C(=O)NC2CCCCC2)cc1 ZINC000033660989 556566545 /nfs/dbraw/zinc/56/65/45/556566545.db2.gz WLANLYXIRWOYHA-UHFFFAOYSA-N 0 0 429.546 3.514 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC[C@H](C)C2)s1 ZINC000015943673 556566671 /nfs/dbraw/zinc/56/66/71/556566671.db2.gz BJKBDPNXSFFLIP-HNNXBMFYSA-N 0 0 442.628 3.704 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 ZINC000015976763 556570649 /nfs/dbraw/zinc/57/06/49/556570649.db2.gz PCXMHRBSLZGJKC-UHFFFAOYSA-N 0 0 428.485 3.955 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000015998763 556572092 /nfs/dbraw/zinc/57/20/92/556572092.db2.gz WBKHHHXHCUVIEH-JTQLQIEISA-N 0 0 434.258 3.851 50 0 IHAARN CCC(=O)Nc1nc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2s1 ZINC000032961218 556572144 /nfs/dbraw/zinc/57/21/44/556572144.db2.gz JZLHLFQTIPRXQU-UHFFFAOYSA-N 0 0 436.493 3.660 50 0 IHAARN O=C(CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)NCc1ccc(F)cc1 ZINC000032961399 556572491 /nfs/dbraw/zinc/57/24/91/556572491.db2.gz KSPSYTUGZRNLPW-UHFFFAOYSA-N 0 0 429.517 3.995 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000000917231 556573455 /nfs/dbraw/zinc/57/34/55/556573455.db2.gz TXRKAOFNQFEZCR-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN O=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000032910231 556574804 /nfs/dbraw/zinc/57/48/04/556574804.db2.gz LOMNLLGSKPZQOC-UHFFFAOYSA-N 0 0 441.908 3.890 50 0 IHAARN CC(=O)Nc1nc(C(=O)O[C@H]2CCC[C@@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000072310690 556576359 /nfs/dbraw/zinc/57/63/59/556576359.db2.gz GZCGLYCFLQKVTK-OALUTQOASA-N 0 0 448.976 3.655 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)[C@H](C)c2ccccc2)cc1 ZINC000016046147 556580210 /nfs/dbraw/zinc/58/02/10/556580210.db2.gz DEHLZSKILFBRIU-GOSISDBHSA-N 0 0 442.537 3.747 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000016046906 556580394 /nfs/dbraw/zinc/58/03/94/556580394.db2.gz ODRFHBOHFPOHGW-GOSISDBHSA-N 0 0 436.533 3.734 50 0 IHAARN O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016090233 556582470 /nfs/dbraw/zinc/58/24/70/556582470.db2.gz DVIHFXBOWRPMPC-UHFFFAOYSA-N 0 0 443.546 3.906 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000016103510 556583283 /nfs/dbraw/zinc/58/32/83/556583283.db2.gz XFSNOFVTXIXOOR-UHFFFAOYSA-N 0 0 436.535 3.812 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl ZINC000016107440 556583338 /nfs/dbraw/zinc/58/33/38/556583338.db2.gz WWFKHCHALDNMML-IBGZPJMESA-N 0 0 443.935 3.526 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(-n2ccnc2)cc1 ZINC000032970945 556589043 /nfs/dbraw/zinc/58/90/43/556589043.db2.gz QFYXNRDSZDAZML-AWEZNQCLSA-N 0 0 449.492 3.621 50 0 IHAARN COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000032972106 556589825 /nfs/dbraw/zinc/58/98/25/556589825.db2.gz LPFXYWAJHSVNGD-UHFFFAOYSA-N 0 0 441.553 3.632 50 0 IHAARN O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CC(OCC(F)F)C1 ZINC000072311790 556590999 /nfs/dbraw/zinc/59/09/99/556590999.db2.gz XXHSRWHQRYMPIE-UHFFFAOYSA-N 0 0 431.208 3.882 50 0 IHAARN N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)S1 ZINC000016213499 556591070 /nfs/dbraw/zinc/59/10/70/556591070.db2.gz ZUCMWMBHVXMDLU-ZSOIEALJSA-N 0 0 429.306 3.900 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000016278454 556596515 /nfs/dbraw/zinc/59/65/15/556596515.db2.gz ZIKPTAFFKNDJRP-HXUWFJFHSA-N 0 0 431.423 3.809 50 0 IHAARN C[C@H](O)CCc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 ZINC000032913380 556598463 /nfs/dbraw/zinc/59/84/63/556598463.db2.gz VQLCPUYQHOMLQN-ZDUSSCGKSA-N 0 0 425.266 3.622 50 0 IHAARN O=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768280 556599126 /nfs/dbraw/zinc/59/91/26/556599126.db2.gz QQJVRLAZVITQHR-UHFFFAOYSA-N 0 0 438.850 3.917 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000032975628 556600130 /nfs/dbraw/zinc/60/01/30/556600130.db2.gz DECGURWDURJORX-IAGOWNOFSA-N 0 0 430.501 3.610 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)c1 ZINC000032975683 556600293 /nfs/dbraw/zinc/60/02/93/556600293.db2.gz GUDBYCQZESQLJY-WOJBJXKFSA-N 0 0 426.538 3.779 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C)cc1 ZINC000032981883 556601428 /nfs/dbraw/zinc/60/14/28/556601428.db2.gz VMJILGNOZBRJAU-IRXDYDNUSA-N 0 0 427.526 3.631 50 0 IHAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1)c1cccs1 ZINC000016361479 556602608 /nfs/dbraw/zinc/60/26/08/556602608.db2.gz XDSPMYRFQSEPRW-UHFFFAOYSA-N 0 0 425.491 3.856 50 0 IHAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2NC1=O ZINC000032983685 556603582 /nfs/dbraw/zinc/60/35/82/556603582.db2.gz CVTDXVKTQKJQSF-FMCGGJTJSA-N 0 0 444.443 3.726 50 0 IHAARN O=C(Nc1cccc(CCc2ccccn2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016381809 556603806 /nfs/dbraw/zinc/60/38/06/556603806.db2.gz RDPIKNVMZNWEOD-UHFFFAOYSA-N 0 0 449.576 3.906 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1cccc(F)c1 ZINC000032987189 556607235 /nfs/dbraw/zinc/60/72/35/556607235.db2.gz ASFJJHXOOOTLTE-UHFFFAOYSA-N 0 0 434.493 3.618 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCc3ccc(C)cc3)s2)cc1 ZINC000032987788 556608239 /nfs/dbraw/zinc/60/82/39/556608239.db2.gz JBMCXEAILBNCIR-UHFFFAOYSA-N 0 0 438.553 3.789 50 0 IHAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032987984 556608796 /nfs/dbraw/zinc/60/87/96/556608796.db2.gz YHHFQEWWBGNFNC-LJQANCHMSA-N 0 0 428.916 3.985 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000016488145 556611891 /nfs/dbraw/zinc/61/18/91/556611891.db2.gz ZEYVLOSDDQLQTF-CYBMUJFWSA-N 0 0 441.322 3.628 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 ZINC000038651753 556615359 /nfs/dbraw/zinc/61/53/59/556615359.db2.gz KOFNCCZBWYTEDS-UHFFFAOYSA-N 0 0 433.489 3.859 50 0 IHAARN CCOc1ccc(NC(=O)/C=C\c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000033655637 556618659 /nfs/dbraw/zinc/61/86/59/556618659.db2.gz ZWSIPGSLOZYICS-ZSOIEALJSA-N 0 0 444.553 3.920 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)cc1 ZINC000247905835 556620298 /nfs/dbraw/zinc/62/02/98/556620298.db2.gz HSQWAVCKTRMKLK-PTUXOGIPSA-N 0 0 436.552 3.836 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc3ccccc3s2)cc1 ZINC000016686158 556625509 /nfs/dbraw/zinc/62/55/09/556625509.db2.gz HAWZVTJNBJILPO-GOSISDBHSA-N 0 0 430.551 3.891 50 0 IHAARN COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC ZINC000060300409 556628005 /nfs/dbraw/zinc/62/80/05/556628005.db2.gz IYTJOSYSUWTJLB-CABCVRRESA-N 0 0 447.329 3.910 50 0 IHAARN Cc1ccc(N2C(=O)N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)[C@@H]2C)cc1 ZINC000016694963 556628598 /nfs/dbraw/zinc/62/85/98/556628598.db2.gz JGNGXNWWMIDYCM-KRWDZBQOSA-N 0 0 446.473 3.951 50 0 IHAARN COc1ccccc1[C@@H]1CN(CC(=O)N[C@@H](C)Cc2cccnc2)Cc2ccccc2O1 ZINC000039420648 556628819 /nfs/dbraw/zinc/62/88/19/556628819.db2.gz YGEIJQILLAQVCE-DFBJGRDBSA-N 0 0 431.536 3.773 50 0 IHAARN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Br)s2)cc1 ZINC000011708056 556629859 /nfs/dbraw/zinc/62/98/59/556629859.db2.gz ZMEBDTIOYIYYBL-UHFFFAOYSA-N 0 0 449.417 3.545 50 0 IHAARN CC1=NC(=S)N[C@@H](c2ccc(OCC(C)C)c(O)c2)C1C(=O)OCc1ccccc1 ZINC000016734009 556632398 /nfs/dbraw/zinc/63/23/98/556632398.db2.gz FAMSRBAGRLVRQY-NRFANRHFSA-N 0 0 426.538 3.963 50 0 IHAARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)CC ZINC000005096802 556634874 /nfs/dbraw/zinc/63/48/74/556634874.db2.gz MWUMHUDYGXVBHF-UHFFFAOYSA-N 0 0 430.545 3.825 50 0 IHAARN COc1ccc(Cn2c3cc(C(=O)N4CCC(C)CC4)ccc3n3nccc3c2=O)cc1 ZINC000097938722 556635198 /nfs/dbraw/zinc/63/51/98/556635198.db2.gz VQQHHFKAQOKUIA-UHFFFAOYSA-N 0 0 430.508 3.578 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000016742528 556636353 /nfs/dbraw/zinc/63/63/53/556636353.db2.gz LTSTTZHMIVWZHN-UHFFFAOYSA-N 0 0 440.978 3.669 50 0 IHAARN COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1N1CCOCC1 ZINC000016753660 556638450 /nfs/dbraw/zinc/63/84/50/556638450.db2.gz UGCGCCGAQAVWMF-UHFFFAOYSA-N 0 0 428.425 3.803 50 0 IHAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 ZINC000016753753 556638536 /nfs/dbraw/zinc/63/85/36/556638536.db2.gz FPFIFLPNXXAXFL-UHFFFAOYSA-N 0 0 431.326 3.829 50 0 IHAARN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040397024 556639231 /nfs/dbraw/zinc/63/92/31/556639231.db2.gz DTEXCMIJQDIJAZ-UHFFFAOYSA-N 0 0 427.439 3.851 50 0 IHAARN COCc1nn2c(ncc3c2ccn(Cc2ccccn2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397883 556639963 /nfs/dbraw/zinc/63/99/63/556639963.db2.gz FQZNPGPGAXHSBX-UHFFFAOYSA-N 0 0 431.883 3.954 50 0 IHAARN COCCNC(=O)Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2ccccc2)cc1 ZINC000037555657 556644381 /nfs/dbraw/zinc/64/43/81/556644381.db2.gz DMQHPBBMAKGIDV-UHFFFAOYSA-N 0 0 432.520 3.847 50 0 IHAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000016825188 556645324 /nfs/dbraw/zinc/64/53/24/556645324.db2.gz VAXCGFODXVQFSA-LLVKDONJSA-N 0 0 447.442 3.956 50 0 IHAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3ccccc3C)C(=O)CC(C)C)cc2)CC1 ZINC000037557813 556645580 /nfs/dbraw/zinc/64/55/80/556645580.db2.gz OVERXSDYWHUOCT-UHFFFAOYSA-N 0 0 449.595 3.808 50 0 IHAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011726418 556646901 /nfs/dbraw/zinc/64/69/01/556646901.db2.gz ZYMPXMPHUMZEJL-LSDHQDQOSA-N 0 0 449.985 3.809 50 0 IHAARN C[C@@H]1Cc2nc(SCC(=O)N3CCCCCC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726548 556647367 /nfs/dbraw/zinc/64/73/67/556647367.db2.gz IDHVQCZNVFVQEL-MRXNPFEDSA-N 0 0 429.611 3.823 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c1 ZINC000011739390 556649364 /nfs/dbraw/zinc/64/93/64/556649364.db2.gz JAGKXEFXIHNCJT-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C ZINC000011747983 556650326 /nfs/dbraw/zinc/65/03/26/556650326.db2.gz FOCRTHALINWZFP-UHFFFAOYSA-N 0 0 431.920 3.740 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)C1 ZINC000016963266 556651453 /nfs/dbraw/zinc/65/14/53/556651453.db2.gz SQIFQHSNJXFXQG-LMMKCTJWSA-N 0 0 428.554 3.543 50 0 IHAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000011757716 556651815 /nfs/dbraw/zinc/65/18/15/556651815.db2.gz YSSLFFLWSCLLTH-UHFFFAOYSA-N 0 0 443.594 3.525 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccccc3C)c(=O)c12 ZINC000032999269 556652628 /nfs/dbraw/zinc/65/26/28/556652628.db2.gz OSVSOSLHULDELS-UHFFFAOYSA-N 0 0 432.499 3.958 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000011758424 556652768 /nfs/dbraw/zinc/65/27/68/556652768.db2.gz QHGSSCKFOWUDPH-UHFFFAOYSA-N 0 0 447.804 3.893 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(C)cc1 ZINC000011758575 556653239 /nfs/dbraw/zinc/65/32/39/556653239.db2.gz AWGIJXWMFNWTMW-UHFFFAOYSA-N 0 0 440.916 3.912 50 0 IHAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000011758655 556653428 /nfs/dbraw/zinc/65/34/28/556653428.db2.gz BSZCRFPYQXRGAT-UHFFFAOYSA-N 0 0 434.525 3.875 50 0 IHAARN CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c1=O ZINC000038653076 556653601 /nfs/dbraw/zinc/65/36/01/556653601.db2.gz BKGXTCLFXVRWIC-UHFFFAOYSA-N 0 0 428.851 3.854 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1ccc(Cl)cc1 ZINC000012998150 556658893 /nfs/dbraw/zinc/65/88/93/556658893.db2.gz YIEKXONDCDNBJG-UHFFFAOYSA-N 0 0 425.842 3.705 50 0 IHAARN CCCc1nnc(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)s1 ZINC000033011145 556659057 /nfs/dbraw/zinc/65/90/57/556659057.db2.gz HKOOWKWYKDESKX-UHFFFAOYSA-N 0 0 435.553 3.705 50 0 IHAARN COC(=O)c1ccc(Cn2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)cc1 ZINC000033011874 556660174 /nfs/dbraw/zinc/66/01/74/556660174.db2.gz YTJKWPLYPLXJNH-UHFFFAOYSA-N 0 0 427.460 3.857 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccc(F)cc1 ZINC000033011881 556660183 /nfs/dbraw/zinc/66/01/83/556660183.db2.gz CHURVAQRFOGQMU-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248076515 556661063 /nfs/dbraw/zinc/66/10/63/556661063.db2.gz BNCRVEMSACYJEW-UARRHKHWSA-N 0 0 435.483 3.757 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000011854444 556661746 /nfs/dbraw/zinc/66/17/46/556661746.db2.gz GERHZSPNGUVUJQ-UHFFFAOYSA-N 0 0 425.901 3.827 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 ZINC000071851806 556667175 /nfs/dbraw/zinc/66/71/75/556667175.db2.gz PIMJEMOEFWEGAK-QFIPXVFZSA-N 0 0 432.524 3.835 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 ZINC000071851805 556667205 /nfs/dbraw/zinc/66/72/05/556667205.db2.gz PIMJEMOEFWEGAK-JOCHJYFZSA-N 0 0 432.524 3.835 50 0 IHAARN Cc1nc2ccc(C(=O)NC[C@H](c3cccnc3)S(=O)(=O)c3ccccc3)cc2nc1C ZINC000011907140 556671925 /nfs/dbraw/zinc/67/19/25/556671925.db2.gz BHEVXBXBXZRKKH-HSZRJFAPSA-N 0 0 446.532 3.587 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914824 556674149 /nfs/dbraw/zinc/67/41/49/556674149.db2.gz GDWKXZMCFPZPMF-GOSISDBHSA-N 0 0 430.913 3.825 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)cn2)c1 ZINC000032930785 556674264 /nfs/dbraw/zinc/67/42/64/556674264.db2.gz NGSZOFCOVHTQDI-UHFFFAOYSA-N 0 0 425.510 3.792 50 0 IHAARN CCOc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011917141 556674446 /nfs/dbraw/zinc/67/44/46/556674446.db2.gz XPOREFNGKJAOBG-LJQANCHMSA-N 0 0 440.521 3.570 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4OCC)nnc32)cc1 ZINC000017307762 556675086 /nfs/dbraw/zinc/67/50/86/556675086.db2.gz YSNVAYHGCXOBKW-UHFFFAOYSA-N 0 0 439.541 3.958 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996848 556678836 /nfs/dbraw/zinc/67/88/36/556678836.db2.gz FGDJVSZHJWYCJN-LJQANCHMSA-N 0 0 439.537 3.787 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 ZINC000012006386 556680428 /nfs/dbraw/zinc/68/04/28/556680428.db2.gz JVFQRISPBRKIAE-UHFFFAOYSA-N 0 0 433.468 3.665 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@@H](C)CC[C@@H]4C3=O)cc2)cc1 ZINC000017986743 556680680 /nfs/dbraw/zinc/68/06/80/556680680.db2.gz OZENKDBZZCUWAR-ONGXBYRLSA-N 0 0 435.476 3.661 50 0 IHAARN Cn1cc([C@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 ZINC000060322915 556685131 /nfs/dbraw/zinc/68/51/31/556685131.db2.gz JYEBETUHGDTHQT-GHMZBOCLSA-N 0 0 435.187 3.786 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000018190267 556686123 /nfs/dbraw/zinc/68/61/23/556686123.db2.gz GZQJIBCKPWZDCC-NRFANRHFSA-N 0 0 426.538 3.977 50 0 IHAARN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000018244616 556687908 /nfs/dbraw/zinc/68/79/08/556687908.db2.gz WZAMISKCAKJUTA-PMACEKPBSA-N 0 0 436.895 3.840 50 0 IHAARN CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000252482299 556689930 /nfs/dbraw/zinc/68/99/30/556689930.db2.gz DCOQFQYJVJWCRX-OAQYLSRUSA-N 0 0 447.539 3.845 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)Nc4cccc(C)c4)nnc3c2=O)cc1 ZINC000046005712 556689836 /nfs/dbraw/zinc/68/98/36/556689836.db2.gz RJCFAOSEARBHPK-SFHVURJKSA-N 0 0 445.523 3.795 50 0 IHAARN C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\S(=O)(=O)c1ccccc1 ZINC000001019980 556690540 /nfs/dbraw/zinc/69/05/40/556690540.db2.gz VONQXQIQEGLANZ-VYADPRQXSA-N 0 0 427.551 3.600 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(CN2CCCC2=O)c1 ZINC000024217321 556693537 /nfs/dbraw/zinc/69/35/37/556693537.db2.gz DXQDHHHJBBNHDM-UHFFFAOYSA-N 0 0 447.457 3.917 50 0 IHAARN O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@H](O)COCc1cccs1 ZINC000072057686 556695585 /nfs/dbraw/zinc/69/55/85/556695585.db2.gz SHNYKQPLJDFPMC-RBBKRZOGSA-N 0 0 436.533 3.831 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000013557206 556697438 /nfs/dbraw/zinc/69/74/38/556697438.db2.gz RCTMZAPACOJHKZ-FQEVSTJZSA-N 0 0 426.538 3.515 50 0 IHAARN COC(=O)[C@@H](C)CN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1 ZINC000060333801 556706077 /nfs/dbraw/zinc/70/60/77/556706077.db2.gz MTJLASQBYAEKPP-INIZCTEOSA-N 0 0 446.548 3.641 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011140067 556719939 /nfs/dbraw/zinc/71/99/39/556719939.db2.gz CFTREWLMRDTFTQ-FQEVSTJZSA-N 0 0 431.895 3.999 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 ZINC000011141025 556720272 /nfs/dbraw/zinc/72/02/72/556720272.db2.gz CYYUYMRVDXHXFB-OAHLLOKOSA-N 0 0 441.915 3.857 50 0 IHAARN Fc1cc(Br)ccc1-c1nnc2sc(-c3n[nH]cc3Br)nn21 ZINC000061718760 556725484 /nfs/dbraw/zinc/72/54/84/556725484.db2.gz PFMNQXLPEVPQSR-UHFFFAOYSA-N 0 0 444.087 3.907 50 0 IHAARN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000079024643 556737768 /nfs/dbraw/zinc/73/77/68/556737768.db2.gz WWVNYAWCUYMXCQ-UHFFFAOYSA-N 0 0 445.585 3.983 50 0 IHAARN COc1ccccc1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055211849 556737976 /nfs/dbraw/zinc/73/79/76/556737976.db2.gz USSCHVMGIXHLTO-OAQYLSRUSA-N 0 0 425.548 3.580 50 0 IHAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3cc(Cl)ccc3C)S2(=O)=O)c(C)c1 ZINC000033045431 556742224 /nfs/dbraw/zinc/74/22/24/556742224.db2.gz VMOUZEPAHFVUCY-UHFFFAOYSA-N 0 0 435.977 3.575 50 0 IHAARN Cc1ccc2cc(COC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)c(Cl)nc2c1 ZINC000019353075 556745009 /nfs/dbraw/zinc/74/50/09/556745009.db2.gz NVRZBZTZVHUYRK-UHFFFAOYSA-N 0 0 427.819 3.896 50 0 IHAARN C[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000010654113 556745363 /nfs/dbraw/zinc/74/53/63/556745363.db2.gz BSQRWRWXFILGLT-MRXNPFEDSA-N 0 0 436.512 3.681 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCC4(CC3)OCCO4)cc1CC2 ZINC000033048997 556745745 /nfs/dbraw/zinc/74/57/45/556745745.db2.gz RTYGKJUDSXVWFA-UHFFFAOYSA-N 0 0 435.549 3.987 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2ccc(Cn3cncn3)cc2)cs1)c1ccccc1 ZINC000010655767 556745989 /nfs/dbraw/zinc/74/59/89/556745989.db2.gz VWNNGOVCHVYPGD-UHFFFAOYSA-N 0 0 433.493 3.825 50 0 IHAARN Cc1ccc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1NS(C)(=O)=O ZINC000060366169 556748119 /nfs/dbraw/zinc/74/81/19/556748119.db2.gz WXSYRXSJBAQJOQ-MRXNPFEDSA-N 0 0 435.977 3.585 50 0 IHAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H](CC(C)C)c2nnc3ccccn32)cc1 ZINC000206252273 556749756 /nfs/dbraw/zinc/74/97/56/556749756.db2.gz YJEGORLDIPXYKP-HXUWFJFHSA-N 0 0 432.528 3.883 50 0 IHAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000058099372 556758009 /nfs/dbraw/zinc/75/80/09/556758009.db2.gz SOYSQFJFARUSNR-KBXCAEBGSA-N 0 0 428.510 3.710 50 0 IHAARN CC(C)c1noc(CCCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)n1 ZINC000058104688 556758513 /nfs/dbraw/zinc/75/85/13/556758513.db2.gz YFUCVPWGQMNQKC-UHFFFAOYSA-N 0 0 442.829 3.851 50 0 IHAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cc1 ZINC000096376193 556760498 /nfs/dbraw/zinc/76/04/98/556760498.db2.gz OPCMAVVYEBFWEU-UHFFFAOYSA-N 0 0 431.554 3.662 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 ZINC000096551250 556761010 /nfs/dbraw/zinc/76/10/10/556761010.db2.gz YXMOOCQFMBRMDQ-UZHIMRIFSA-N 0 0 426.469 3.700 50 0 IHAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000058160484 556764440 /nfs/dbraw/zinc/76/44/40/556764440.db2.gz CKWKFEUTCSGMTM-UHFFFAOYSA-N 0 0 435.446 3.627 50 0 IHAARN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1-n1cncn1 ZINC000058162180 556765722 /nfs/dbraw/zinc/76/57/22/556765722.db2.gz HKBVUMAOJJHFTH-UHFFFAOYSA-N 0 0 437.257 3.864 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1ccc2ccn(Cc3cccc(C)c3)c2c1=O ZINC000062007338 556765749 /nfs/dbraw/zinc/76/57/49/556765749.db2.gz WLGUOVFRPHQTSC-UHFFFAOYSA-N 0 0 429.476 3.585 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 ZINC000062022819 556766379 /nfs/dbraw/zinc/76/63/79/556766379.db2.gz IJFCYMDLRNCXKC-HNNXBMFYSA-N 0 0 449.540 3.526 50 0 IHAARN C[C@@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058169864 556767702 /nfs/dbraw/zinc/76/77/02/556767702.db2.gz IVXXXFMEIIPONZ-VFNWGFHPSA-N 0 0 443.956 3.694 50 0 IHAARN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000019471770 556768379 /nfs/dbraw/zinc/76/83/79/556768379.db2.gz FYJZGYGPQSAGED-OAHLLOKOSA-N 0 0 448.497 3.512 50 0 IHAARN O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000058173468 556768443 /nfs/dbraw/zinc/76/84/43/556768443.db2.gz AFJUQNYKGURVSW-KRWDZBQOSA-N 0 0 441.400 3.907 50 0 IHAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000058178705 556769776 /nfs/dbraw/zinc/76/97/76/556769776.db2.gz WGFGQOTYBSBHSI-NRFANRHFSA-N 0 0 430.476 3.587 50 0 IHAARN O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000058196037 556770535 /nfs/dbraw/zinc/77/05/35/556770535.db2.gz TWIGZEUJAAEPGJ-KRWDZBQOSA-N 0 0 437.525 3.891 50 0 IHAARN COC(=O)c1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000058197622 556770778 /nfs/dbraw/zinc/77/07/78/556770778.db2.gz KMGZOPHTSLXVSY-SFHVURJKSA-N 0 0 449.429 3.977 50 0 IHAARN CN(C[C@@H]1CCCO1)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000058216914 556772626 /nfs/dbraw/zinc/77/26/26/556772626.db2.gz LIHDAXHFHMYYJL-HNNXBMFYSA-N 0 0 430.599 3.867 50 0 IHAARN Cc1nnc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1C ZINC000058292714 556778023 /nfs/dbraw/zinc/77/80/23/556778023.db2.gz HFOJLRKBKWEMHS-INIZCTEOSA-N 0 0 444.866 3.864 50 0 IHAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 ZINC000058296570 556778048 /nfs/dbraw/zinc/77/80/48/556778048.db2.gz YCDGCGGIGCZWTM-MRXNPFEDSA-N 0 0 434.466 3.683 50 0 IHAARN CCCC(=O)NC[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000058341891 556781847 /nfs/dbraw/zinc/78/18/47/556781847.db2.gz RWGOFXCVPPIQSG-FQEVSTJZSA-N 0 0 448.629 3.545 50 0 IHAARN Cc1ccc(CCC2CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1 ZINC000058368641 556783436 /nfs/dbraw/zinc/78/34/36/556783436.db2.gz BCJOVYYLKRHSSL-UHFFFAOYSA-N 0 0 435.611 3.651 50 0 IHAARN COCCOc1ccc(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 ZINC000058406759 556786189 /nfs/dbraw/zinc/78/61/89/556786189.db2.gz QVUACUBTXYBQFJ-UHFFFAOYSA-N 0 0 427.501 3.512 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1 ZINC000058416822 556787031 /nfs/dbraw/zinc/78/70/31/556787031.db2.gz VFIQJMFNHWRCHI-UHFFFAOYSA-N 0 0 437.446 3.885 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H]4CCCC[C@H]4C)cc3C2=O)c1 ZINC000011184903 556792251 /nfs/dbraw/zinc/79/22/51/556792251.db2.gz OIGSXDCTTRQHGT-IIBYNOLFSA-N 0 0 448.519 3.956 50 0 IHAARN NC(=O)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(Br)c1 ZINC000059007749 556794044 /nfs/dbraw/zinc/79/40/44/556794044.db2.gz AWXYRRMSMOZBAT-MRXNPFEDSA-N 0 0 434.677 3.714 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ncccc1C(F)(F)F ZINC000059352670 556798569 /nfs/dbraw/zinc/79/85/69/556798569.db2.gz MXPDRNXAKLTSAO-MRXNPFEDSA-N 0 0 442.869 3.737 50 0 IHAARN Cc1ccnc2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn21 ZINC000002631440 556801166 /nfs/dbraw/zinc/80/11/66/556801166.db2.gz BEMJHDQGFFVYOQ-UHFFFAOYSA-N 0 0 440.385 3.956 50 0 IHAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000002637443 556801558 /nfs/dbraw/zinc/80/15/58/556801558.db2.gz KMKDUUWNHNNICC-RUDMXATFSA-N 0 0 443.324 3.820 50 0 IHAARN CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(SCCCc3ccccc3)s2)C1 ZINC000059745601 556803960 /nfs/dbraw/zinc/80/39/60/556803960.db2.gz MDKJIJYIZUZJHW-INIZCTEOSA-N 0 0 433.603 3.595 50 0 IHAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OC(F)F ZINC000003295665 556811060 /nfs/dbraw/zinc/81/10/60/556811060.db2.gz SQZFRDUGFPVJFI-INIZCTEOSA-N 0 0 437.439 3.934 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000021807017 556815688 /nfs/dbraw/zinc/81/56/88/556815688.db2.gz MMKJSAJXGDBDSO-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN CCCCOc1ccc(CNC(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000033060203 556816758 /nfs/dbraw/zinc/81/67/58/556816758.db2.gz BLPAGDMHEQLOTC-UHFFFAOYSA-N 0 0 440.525 3.908 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1Cl ZINC000033062952 556818282 /nfs/dbraw/zinc/81/82/82/556818282.db2.gz LNGLUPPHIUIGFE-UHFFFAOYSA-N 0 0 437.880 3.716 50 0 IHAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1F ZINC000033062980 556818526 /nfs/dbraw/zinc/81/85/26/556818526.db2.gz JEANLEGEVQCXNX-UHFFFAOYSA-N 0 0 441.843 3.546 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)nc2c1 ZINC000033068012 556819747 /nfs/dbraw/zinc/81/97/47/556819747.db2.gz DPQDOAMMUJAYLL-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN COc1cc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc(OC)c1 ZINC000033067788 556819811 /nfs/dbraw/zinc/81/98/11/556819811.db2.gz RITQAMDRJVOCMA-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4cccc(F)c4)c3)nc12 ZINC000033068319 556822158 /nfs/dbraw/zinc/82/21/58/556822158.db2.gz JWVCITIGUPXVST-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccc(-n2ccn3c(CCCC(=O)NCc4ccc(Cl)cc4)nnc3c2=O)cc1C ZINC000064591457 556825253 /nfs/dbraw/zinc/82/52/53/556825253.db2.gz QPFAISPJWJHNBA-UHFFFAOYSA-N 0 0 449.942 3.790 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000096558522 556833787 /nfs/dbraw/zinc/83/37/87/556833787.db2.gz QAKWUXMCTDOSJN-RUZDIDTESA-N 0 0 435.483 3.938 50 0 IHAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc(C)n2)cc1 ZINC000065362736 556834539 /nfs/dbraw/zinc/83/45/39/556834539.db2.gz WAENSRRJDQYRDW-UHFFFAOYSA-N 0 0 446.511 3.920 50 0 IHAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCC2)nn1 ZINC000065364255 556835576 /nfs/dbraw/zinc/83/55/76/556835576.db2.gz JYUIQGIIFKZHGL-GOSISDBHSA-N 0 0 432.528 3.834 50 0 IHAARN CC1=CC(C)(C)N(C(=O)CSc2nnnn2-c2ccccc2)c2cc3c(cc21)OCCO3 ZINC000334161165 556837023 /nfs/dbraw/zinc/83/70/23/556837023.db2.gz VJZABEBHOOAYPL-UHFFFAOYSA-N 0 0 449.536 3.754 50 0 IHAARN O=C1NNC(=O)[C@@H]2[C@H]1C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000096602743 556838408 /nfs/dbraw/zinc/83/84/08/556838408.db2.gz BSEQVLIOKBFFRT-MWABVPJASA-N 0 0 448.114 3.524 50 0 IHAARN CC(C)OC(=O)c1c(NC(=O)CN2CCN(Cc3ccco3)CC2)sc2c1CCCC2 ZINC000019643884 556838752 /nfs/dbraw/zinc/83/87/52/556838752.db2.gz MLHIFRYQOAKAQO-UHFFFAOYSA-N 0 0 445.585 3.541 50 0 IHAARN CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000019644572 556839131 /nfs/dbraw/zinc/83/91/31/556839131.db2.gz QPGXNBSKVXPLCI-UHFFFAOYSA-N 0 0 446.504 3.764 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=S)Nc3ccc(CCO)cc3)cc2)C1 ZINC000019646518 556840525 /nfs/dbraw/zinc/84/05/25/556840525.db2.gz VRZIJZYLGPQGSE-IAGOWNOFSA-N 0 0 447.626 3.697 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998527 556841115 /nfs/dbraw/zinc/84/11/15/556841115.db2.gz MMYNAOYRXIHCDP-UHFFFAOYSA-N 0 0 449.935 3.833 50 0 IHAARN Cc1nc2c(cc1C(=O)Nc1ccccc1Cl)c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000067630814 556845369 /nfs/dbraw/zinc/84/53/69/556845369.db2.gz OWLWYOUBEGHEDV-UHFFFAOYSA-N 0 0 434.883 3.542 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCCCCC3)cs2)c1 ZINC000008849909 556850061 /nfs/dbraw/zinc/85/00/61/556850061.db2.gz AXLDWQFDMXWEHX-UHFFFAOYSA-N 0 0 446.598 3.777 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCc2ccco2)cc1OC ZINC000033070519 556851285 /nfs/dbraw/zinc/85/12/85/556851285.db2.gz AKYQBRMCHFKFIE-UHFFFAOYSA-N 0 0 438.509 3.723 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)NC1CCCC1 ZINC000008922450 556851335 /nfs/dbraw/zinc/85/13/35/556851335.db2.gz JUUUNEPJBLJKLL-UHFFFAOYSA-N 0 0 449.964 3.706 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000008983291 556854548 /nfs/dbraw/zinc/85/45/48/556854548.db2.gz FQMWAQOLXKPCFV-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN Cc1cc(SCC(=O)Nc2ccccc2F)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087806 556855471 /nfs/dbraw/zinc/85/54/71/556855471.db2.gz LMQWKWLBOJFDEO-UHFFFAOYSA-N 0 0 433.530 3.663 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 ZINC000033088994 556858014 /nfs/dbraw/zinc/85/80/14/556858014.db2.gz GNOKMJNYQJRXNE-UHFFFAOYSA-N 0 0 429.270 3.590 50 0 IHAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)cc1 ZINC000033106268 556858651 /nfs/dbraw/zinc/85/86/51/556858651.db2.gz WIIDZQDRGLOEHZ-UHFFFAOYSA-N 0 0 444.535 3.993 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 ZINC000033122732 556863724 /nfs/dbraw/zinc/86/37/24/556863724.db2.gz YEHSMCCGCHETST-HNNXBMFYSA-N 0 0 440.525 3.536 50 0 IHAARN COC(=O)c1cccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127901 556864837 /nfs/dbraw/zinc/86/48/37/556864837.db2.gz PWEUVYXMYXTXNU-JOCHJYFZSA-N 0 0 429.476 3.925 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)ccc1Br ZINC000033124963 556866270 /nfs/dbraw/zinc/86/62/70/556866270.db2.gz AOLXZRYEOOQSEF-CYBMUJFWSA-N 0 0 446.276 3.849 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)ccc1Br ZINC000033124965 556866315 /nfs/dbraw/zinc/86/63/15/556866315.db2.gz AOLXZRYEOOQSEF-ZDUSSCGKSA-N 0 0 446.276 3.849 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)C2CCCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019731289 556876694 /nfs/dbraw/zinc/87/66/94/556876694.db2.gz JDJKEKQJEYWKRJ-QHCPKHFHSA-N 0 0 425.617 3.930 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033171000 556881851 /nfs/dbraw/zinc/88/18/51/556881851.db2.gz ICKGIHUSVXLXNS-JYRVWZFOSA-N 0 0 441.509 3.599 50 0 IHAARN CCCCOc1ccc(CNC(=O)C2CCN(c3nccc4c(C)nn(C)c43)CC2)cc1 ZINC000033173229 556883282 /nfs/dbraw/zinc/88/32/82/556883282.db2.gz JRYULYKQEDODER-UHFFFAOYSA-N 0 0 435.572 3.988 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1 ZINC000033170519 556885903 /nfs/dbraw/zinc/88/59/03/556885903.db2.gz DFJMSWIRQMNKAO-UHFFFAOYSA-N 0 0 440.506 3.753 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000004712741 556890383 /nfs/dbraw/zinc/89/03/83/556890383.db2.gz QRVLGYFFRFSEPD-VRKFHHGPSA-N 0 0 428.598 4.000 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)C1 ZINC000033250709 556891525 /nfs/dbraw/zinc/89/15/25/556891525.db2.gz VBFXNWNGPGLNTF-GNDWGAAVSA-N 0 0 449.548 3.608 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251081 556891731 /nfs/dbraw/zinc/89/17/31/556891731.db2.gz BNPBBWNDIDDXHN-UHFFFAOYSA-N 0 0 447.413 3.848 50 0 IHAARN COc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1Cl ZINC000033252099 556892470 /nfs/dbraw/zinc/89/24/70/556892470.db2.gz KFUCTOGFZCXTTH-UHFFFAOYSA-N 0 0 442.928 3.739 50 0 IHAARN CCn1cc(-c2nc(-c3ccc(F)cc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255984 556895243 /nfs/dbraw/zinc/89/52/43/556895243.db2.gz QXLPQEVACKCSHP-UHFFFAOYSA-N 0 0 438.434 3.853 50 0 IHAARN CC(C)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000033260324 556897079 /nfs/dbraw/zinc/89/70/79/556897079.db2.gz UNVMAKPORGTMNG-UHFFFAOYSA-N 0 0 426.952 3.823 50 0 IHAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1 ZINC000033260891 556897639 /nfs/dbraw/zinc/89/76/39/556897639.db2.gz GZXKSNXZEYSMTQ-UHFFFAOYSA-N 0 0 446.551 3.955 50 0 IHAARN O=C(Cn1nc2ccc(Sc3cccc(F)c3)nn2c1=O)Nc1ccc(Cl)cc1F ZINC000033261804 556899803 /nfs/dbraw/zinc/89/98/03/556899803.db2.gz PUSNNHCZOZXDTP-UHFFFAOYSA-N 0 0 447.854 3.613 50 0 IHAARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817680 556920466 /nfs/dbraw/zinc/92/04/66/556920466.db2.gz QUELYDGIJMNPJF-HXUWFJFHSA-N 0 0 433.418 3.826 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819100 556921783 /nfs/dbraw/zinc/92/17/83/556921783.db2.gz HHVBBIFQHZYEHH-LJQANCHMSA-N 0 0 440.883 3.981 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019831346 556926427 /nfs/dbraw/zinc/92/64/27/556926427.db2.gz CQDMRSPKGVGKGJ-UHFFFAOYSA-N 0 0 429.767 3.609 50 0 IHAARN O=S(=O)(c1cccs1)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000019834610 556927564 /nfs/dbraw/zinc/92/75/64/556927564.db2.gz WIOZLSPCVINGNP-UHFFFAOYSA-N 0 0 427.473 3.826 50 0 IHAARN CC(=O)c1ccccc1C(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 ZINC000019838976 556929100 /nfs/dbraw/zinc/92/91/00/556929100.db2.gz KBTYGNGMBRBCNP-FQEVSTJZSA-N 0 0 426.557 3.740 50 0 IHAARN Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019850624 556930691 /nfs/dbraw/zinc/93/06/91/556930691.db2.gz UFAJWLPNAILODX-UHFFFAOYSA-N 0 0 426.498 3.927 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857103 556931505 /nfs/dbraw/zinc/93/15/05/556931505.db2.gz SQZWJVAJCIFUFW-MRXNPFEDSA-N 0 0 437.359 3.630 50 0 IHAARN O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857146 556931530 /nfs/dbraw/zinc/93/15/30/556931530.db2.gz JOYLIOCGRWILCJ-INIZCTEOSA-N 0 0 437.359 3.630 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O ZINC000019861561 556933997 /nfs/dbraw/zinc/93/39/97/556933997.db2.gz ZNGNCMCDFXRISH-JOCHJYFZSA-N 0 0 436.483 3.508 50 0 IHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000019868590 556935180 /nfs/dbraw/zinc/93/51/80/556935180.db2.gz QFPSAQPUDNQFCT-UHFFFAOYSA-N 0 0 430.957 3.879 50 0 IHAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(Cl)cc1)CO3 ZINC000019882514 556937641 /nfs/dbraw/zinc/93/76/41/556937641.db2.gz SBZZDCUUTPXBHD-UHFFFAOYSA-N 0 0 427.884 3.865 50 0 IHAARN Nc1cc(C(=O)NCc2cccc(Cl)c2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000019925602 556944675 /nfs/dbraw/zinc/94/46/75/556944675.db2.gz FHJSLPKNJDVQIK-MJGOQNOKSA-N 0 0 448.954 3.638 50 0 IHAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000019939061 556952921 /nfs/dbraw/zinc/95/29/21/556952921.db2.gz OAAWQJVOWUNCCB-UHFFFAOYSA-N 0 0 434.540 3.851 50 0 IHAARN COc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1OC ZINC000033264056 556973367 /nfs/dbraw/zinc/97/33/67/556973367.db2.gz FOFAZPWFAHUZMS-NRFANRHFSA-N 0 0 439.556 3.931 50 0 IHAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)C1 ZINC000033264419 556974016 /nfs/dbraw/zinc/97/40/16/556974016.db2.gz GHWFYZUFDMBWEW-HSZRJFAPSA-N 0 0 434.584 3.785 50 0 IHAARN Cc1cccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)c1C ZINC000033265295 556975245 /nfs/dbraw/zinc/97/52/45/556975245.db2.gz KXIPXVVGRLQJBR-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN CCOC(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000020100199 556979944 /nfs/dbraw/zinc/97/99/44/556979944.db2.gz KZJUNVZJKNQXFU-UHFFFAOYSA-N 0 0 434.517 3.806 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)c(OC)c1 ZINC000020101828 556980526 /nfs/dbraw/zinc/98/05/26/556980526.db2.gz UUOIOGZUBFLQRK-SFHVURJKSA-N 0 0 444.535 3.733 50 0 IHAARN CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103529 556980946 /nfs/dbraw/zinc/98/09/46/556980946.db2.gz GPCLVCRWSFUZRI-QFIPXVFZSA-N 0 0 439.475 3.751 50 0 IHAARN COCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000097088680 556983632 /nfs/dbraw/zinc/98/36/32/556983632.db2.gz OJKUEAZEKGZWFD-AWEZNQCLSA-N 0 0 444.333 3.862 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1F ZINC000097096880 556984398 /nfs/dbraw/zinc/98/43/98/556984398.db2.gz VSVVVRVMKXBWJA-OAHLLOKOSA-N 0 0 426.473 3.775 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033268552 556985136 /nfs/dbraw/zinc/98/51/36/556985136.db2.gz PWPNVGDFIFARDQ-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN O=C(COc1ccccc1)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033268649 556985329 /nfs/dbraw/zinc/98/53/29/556985329.db2.gz CZOVMLJSLBGOAY-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN CCCCN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC)[C@H](C)CC ZINC000023044108 556986329 /nfs/dbraw/zinc/98/63/29/556986329.db2.gz FRRMMODZLPECGY-OAHLLOKOSA-N 0 0 440.635 3.613 50 0 IHAARN COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000097105765 556987788 /nfs/dbraw/zinc/98/77/88/556987788.db2.gz BLORHAQFZSMJAX-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cccc(Br)c3)c12 ZINC000097134617 556991482 /nfs/dbraw/zinc/99/14/82/556991482.db2.gz CHAXPTFFZFCUJR-UHFFFAOYSA-N 0 0 430.258 3.967 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000097164605 556994498 /nfs/dbraw/zinc/99/44/98/556994498.db2.gz KIXSVCYGVWBRJT-LBPRGKRZSA-N 0 0 425.373 3.910 50 0 IHAARN Cc1n[nH]c(C)c1CCc1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1 ZINC000097164410 556994567 /nfs/dbraw/zinc/99/45/67/556994567.db2.gz QVAPTCORNVWYHU-UHFFFAOYSA-N 0 0 447.518 3.722 50 0 IHAARN CC(C)S(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1CCc1ccccc1 ZINC000020235679 557002333 /nfs/dbraw/zinc/00/23/33/557002333.db2.gz MKGIYYMETAUMGA-UHFFFAOYSA-N 0 0 425.598 3.982 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCN1CCOCC1)C3=O ZINC000020308181 557006606 /nfs/dbraw/zinc/00/66/06/557006606.db2.gz XPDRIONTFORCMJ-OAQYLSRUSA-N 0 0 438.911 3.632 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)c3=O)c2c1 ZINC000023125682 557007382 /nfs/dbraw/zinc/00/73/82/557007382.db2.gz RFGJEMQVQZHXLH-UHFFFAOYSA-N 0 0 449.942 3.579 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccccc21 ZINC000020355949 557010071 /nfs/dbraw/zinc/01/00/71/557010071.db2.gz IKNHBQJMYKVAPQ-UHFFFAOYSA-N 0 0 439.541 3.566 50 0 IHAARN OCCN1CCN(c2ncnc3c4c5c(c(-c6ccccc6)nc4sc32)CCC5)CC1 ZINC000020358958 557011679 /nfs/dbraw/zinc/01/16/79/557011679.db2.gz KERXGVFBUVWXIX-UHFFFAOYSA-N 0 0 431.565 3.510 50 0 IHAARN CN1CC[C@]2(N3CCOCC3)[C@@H](C1)N=NN2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020414194 557014403 /nfs/dbraw/zinc/01/44/03/557014403.db2.gz SWFOFFUNLSUYTM-HZPDHXFCSA-N 0 0 437.388 3.644 50 0 IHAARN Cn1c2cc(NC(=O)Nc3ccc(Br)cc3)c(N3CCCC3)cc2n(C)c1=O ZINC000045994402 557014602 /nfs/dbraw/zinc/01/46/02/557014602.db2.gz VNZQMOUJMIYKTI-UHFFFAOYSA-N 0 0 444.333 3.884 50 0 IHAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000046004165 557019172 /nfs/dbraw/zinc/01/91/72/557019172.db2.gz NJEGCNJUABNRNH-UHFFFAOYSA-N 0 0 436.489 3.792 50 0 IHAARN Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000010708453 557019527 /nfs/dbraw/zinc/01/95/27/557019527.db2.gz JQOLPTLQCWUCFA-UHFFFAOYSA-N 0 0 441.380 3.768 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NC[C@H]2CCCO2)nnc3C(C)C)cc1C ZINC000023137819 557019727 /nfs/dbraw/zinc/01/97/27/557019727.db2.gz SIJFIUYOCILTLZ-GOSISDBHSA-N 0 0 439.585 3.943 50 0 IHAARN COc1cc(C(=O)NCCn2c(C)nc3ccccc32)ccc1OCc1c(C)noc1C ZINC000010737127 557022100 /nfs/dbraw/zinc/02/21/00/557022100.db2.gz KQFOWVRLDNOKRX-UHFFFAOYSA-N 0 0 434.496 3.967 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NCCc1ccccc1 ZINC000023139679 557022263 /nfs/dbraw/zinc/02/22/63/557022263.db2.gz QHRGFGZLNDMXOF-UHFFFAOYSA-N 0 0 445.548 3.722 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc(OCC)c1OCC ZINC000010750246 557024437 /nfs/dbraw/zinc/02/44/37/557024437.db2.gz SNOBOISFTZHYLZ-UHFFFAOYSA-N 0 0 447.484 3.695 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010777250 557025648 /nfs/dbraw/zinc/02/56/48/557025648.db2.gz HDRXYLAWRZLDMH-OAHLLOKOSA-N 0 0 431.330 3.637 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCC[C@H](C[NH+]4CCCC4)C3)c(C(=O)[O-])c2)cc1 ZINC000046053590 557026648 /nfs/dbraw/zinc/02/66/48/557026648.db2.gz VYOGMILSHFOGPJ-GOSISDBHSA-N 0 0 437.540 3.958 50 0 IHAARN O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2C1=C1CCCC1 ZINC000046053997 557027467 /nfs/dbraw/zinc/02/74/67/557027467.db2.gz HOQVWYBSPDCHFT-UHFFFAOYSA-N 0 0 441.528 3.616 50 0 IHAARN COc1cc(C(=O)OCC(=O)c2cc(F)ccc2OC)cc(OC)c1Br ZINC000010803454 557028041 /nfs/dbraw/zinc/02/80/41/557028041.db2.gz LRENRHBZUUKJDJ-UHFFFAOYSA-N 0 0 427.222 3.654 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC[C@H]4CCCO4)cc3c2)cc1 ZINC000046058625 557029422 /nfs/dbraw/zinc/02/94/22/557029422.db2.gz TZJMIXXLFLEYMJ-GOSISDBHSA-N 0 0 444.578 3.944 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000046074823 557031018 /nfs/dbraw/zinc/03/10/18/557031018.db2.gz OFBZTHXLJMSUPX-QGZVFWFLSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(F)c2)CC(=O)N3)c1 ZINC000046074815 557031142 /nfs/dbraw/zinc/03/11/42/557031142.db2.gz FUMLGKIUYDQBDE-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000046074917 557031470 /nfs/dbraw/zinc/03/14/70/557031470.db2.gz JGLLTYHFHWCYOK-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000046075077 557031522 /nfs/dbraw/zinc/03/15/22/557031522.db2.gz ZMBMLVDQXYMZST-OAHLLOKOSA-N 0 0 440.912 3.780 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)ccc1OCC(N)=O ZINC000046077117 557032685 /nfs/dbraw/zinc/03/26/85/557032685.db2.gz KVVHWOKNDPVMHU-HNNXBMFYSA-N 0 0 426.469 3.901 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000046079277 557034035 /nfs/dbraw/zinc/03/40/35/557034035.db2.gz DODZYSHFIWOTNC-UHFFFAOYSA-N 0 0 442.878 3.998 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000046079203 557034132 /nfs/dbraw/zinc/03/41/32/557034132.db2.gz DJWFQSGMSFSISP-HNNXBMFYSA-N 0 0 432.480 3.579 50 0 IHAARN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123611 557037184 /nfs/dbraw/zinc/03/71/84/557037184.db2.gz HNSIASNYAVXKSC-DLBZAZTESA-N 0 0 436.537 3.964 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)n2)c1 ZINC000010863609 557043223 /nfs/dbraw/zinc/04/32/23/557043223.db2.gz BBRCOGZTSSSDMU-QGZVFWFLSA-N 0 0 445.324 3.893 50 0 IHAARN O=C(CSC1=NCCS1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000010863295 557043277 /nfs/dbraw/zinc/04/32/77/557043277.db2.gz DXOLACVHQOYIGJ-UHFFFAOYSA-N 0 0 448.035 3.679 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000017244987 557044037 /nfs/dbraw/zinc/04/40/37/557044037.db2.gz SVNXDWKLDMLSNG-VXGBXAGGSA-N 0 0 449.019 3.515 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21 ZINC000017286615 557044898 /nfs/dbraw/zinc/04/48/98/557044898.db2.gz FTAFMJWLADCLKA-UHFFFAOYSA-N 0 0 427.320 3.787 50 0 IHAARN CC(C)(CN1C(=O)[C@@H](Oc2ccccc2F)[C@@H]1c1cc(F)ccc1F)N1CCOCC1 ZINC000048235804 557046948 /nfs/dbraw/zinc/04/69/48/557046948.db2.gz TZAAKXZSNYLUQE-SFTDATJTSA-N 0 0 434.458 3.546 50 0 IHAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022920920 557047272 /nfs/dbraw/zinc/04/72/72/557047272.db2.gz QJUKQMSXZFNURU-CQSZACIVSA-N 0 0 436.339 3.867 50 0 IHAARN COc1ccccc1-n1cnn(CN2CCN(Cc3c(F)cccc3Cl)CC2)c1=S ZINC000022925059 557048228 /nfs/dbraw/zinc/04/82/28/557048228.db2.gz FEFADXDJHISTNH-UHFFFAOYSA-N 0 0 447.967 3.980 50 0 IHAARN CCCCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)c1 ZINC000017271064 557048797 /nfs/dbraw/zinc/04/87/97/557048797.db2.gz YUFOAMOBMAJBJQ-UHFFFAOYSA-N 0 0 433.555 3.978 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000022929861 557049354 /nfs/dbraw/zinc/04/93/54/557049354.db2.gz YRQSDQYBOOQLFU-GOSISDBHSA-N 0 0 436.419 3.723 50 0 IHAARN Cc1cc(CN2CCN(CC(=O)c3cc(C)n(CCc4ccc(F)cc4)c3C)CC2)no1 ZINC000022929440 557049399 /nfs/dbraw/zinc/04/93/99/557049399.db2.gz RLMYWQGNONQHNW-UHFFFAOYSA-N 0 0 438.547 3.784 50 0 IHAARN Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000022930918 557049621 /nfs/dbraw/zinc/04/96/21/557049621.db2.gz HWDLVQHBXBJQGE-UHFFFAOYSA-N 0 0 449.382 3.887 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 ZINC000048272446 557051234 /nfs/dbraw/zinc/05/12/34/557051234.db2.gz SIHDBUSYOKNSGB-UHFFFAOYSA-N 0 0 441.336 3.885 50 0 IHAARN Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1 ZINC000022934058 557051596 /nfs/dbraw/zinc/05/15/96/557051596.db2.gz SELOPKHSURWJQI-HXUWFJFHSA-N 0 0 433.556 3.979 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCN(C)CC2)o1 ZINC000022938476 557053347 /nfs/dbraw/zinc/05/33/47/557053347.db2.gz WFOJMEIGCFTKTM-HSZRJFAPSA-N 0 0 448.567 3.840 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000048275963 557056326 /nfs/dbraw/zinc/05/63/26/557056326.db2.gz VBABWVKJLOYHHQ-UHFFFAOYSA-N 0 0 436.443 3.709 50 0 IHAARN Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000017320955 557057900 /nfs/dbraw/zinc/05/79/00/557057900.db2.gz HRQRPAJMCDCCNC-UHFFFAOYSA-N 0 0 442.468 3.594 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000048285969 557058191 /nfs/dbraw/zinc/05/81/91/557058191.db2.gz WCOKMAPTKMYUEL-LBPRGKRZSA-N 0 0 445.162 3.862 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000023043236 557059384 /nfs/dbraw/zinc/05/93/84/557059384.db2.gz KKYYNFKGXAGNBP-HSZRJFAPSA-N 0 0 432.520 3.677 50 0 IHAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)C1=O ZINC000023043392 557059427 /nfs/dbraw/zinc/05/94/27/557059427.db2.gz HIGPDGQVASAZHU-UUOWRZLLSA-N 0 0 447.516 3.927 50 0 IHAARN O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)Nc1ccc(Br)cc1 ZINC000033277675 557059574 /nfs/dbraw/zinc/05/95/74/557059574.db2.gz ICACZLQSTBTLPE-UHFFFAOYSA-N 0 0 439.269 3.843 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)ncn2)c1C ZINC000082230384 557061340 /nfs/dbraw/zinc/06/13/40/557061340.db2.gz HHBLSDNXSXRMGU-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1S[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000023079944 557062462 /nfs/dbraw/zinc/06/24/62/557062462.db2.gz IYLNXCOAEWILIJ-ZBFHGGJFSA-N 0 0 443.594 3.921 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCC3)c2=O)c(C)c1 ZINC000033287054 557064309 /nfs/dbraw/zinc/06/43/09/557064309.db2.gz ARQOGFZMQNHQTP-UHFFFAOYSA-N 0 0 446.551 3.643 50 0 IHAARN COc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O ZINC000023126132 557065464 /nfs/dbraw/zinc/06/54/64/557065464.db2.gz WXFQDPMKPCAISI-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN COc1ccc(CCC(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000048325221 557065952 /nfs/dbraw/zinc/06/59/52/557065952.db2.gz ODZYQDZVYZRMBS-OALUTQOASA-N 0 0 426.557 3.562 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1OC ZINC000033289174 557066565 /nfs/dbraw/zinc/06/65/65/557066565.db2.gz OTBRPLOKPRVDSY-IBGZPJMESA-N 0 0 448.523 3.819 50 0 IHAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)c2)n1 ZINC000048326089 557066583 /nfs/dbraw/zinc/06/65/83/557066583.db2.gz OSPDAXQOXHIYCR-UHFFFAOYSA-N 0 0 434.452 3.800 50 0 IHAARN Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 ZINC000048313248 557067252 /nfs/dbraw/zinc/06/72/52/557067252.db2.gz LVGVLAXBFYXFCC-AUUYWEPGSA-N 0 0 442.459 3.726 50 0 IHAARN Cc1csc([C@@](O)(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 ZINC000048313245 557067264 /nfs/dbraw/zinc/06/72/64/557067264.db2.gz LVGVLAXBFYXFCC-KUHUBIRLSA-N 0 0 442.459 3.726 50 0 IHAARN Cc1cc(C(=O)NC2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)no1 ZINC000048332975 557068156 /nfs/dbraw/zinc/06/81/56/557068156.db2.gz GPAUIZJCJHERGZ-LBPRGKRZSA-N 0 0 425.316 3.511 50 0 IHAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000048333835 557068505 /nfs/dbraw/zinc/06/85/05/557068505.db2.gz WGSHRRMSLORYPL-QZTJIDSGSA-N 0 0 430.593 3.849 50 0 IHAARN CCOc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000033291059 557069204 /nfs/dbraw/zinc/06/92/04/557069204.db2.gz BTAWDYMLVRFTDQ-OAHLLOKOSA-N 0 0 440.887 3.823 50 0 IHAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccccc4)c23)C1 ZINC000033289459 557070875 /nfs/dbraw/zinc/07/08/75/557070875.db2.gz KGIYTTXYWASIAW-CQSZACIVSA-N 0 0 435.553 3.895 50 0 IHAARN Cc1ccc(C)n1-c1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cnn1C ZINC000048365964 557074995 /nfs/dbraw/zinc/07/49/95/557074995.db2.gz KSJWQGIIWXDFSX-UHFFFAOYSA-N 0 0 436.541 3.526 50 0 IHAARN CCOc1ccccc1-c1noc(Cn2cnc3c(cnn3-c3ccc(CC)cc3)c2=O)n1 ZINC000033293100 557075992 /nfs/dbraw/zinc/07/59/92/557075992.db2.gz DNJXLTYRICAZNB-UHFFFAOYSA-N 0 0 442.479 3.642 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(NC(C)=O)c4)C3)sc2c1 ZINC000033293243 557076240 /nfs/dbraw/zinc/07/62/40/557076240.db2.gz XKZRXTUZHLRLML-CQSZACIVSA-N 0 0 438.509 3.645 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287475 557077019 /nfs/dbraw/zinc/07/70/19/557077019.db2.gz LHODTKCGLUKHAK-QGZVFWFLSA-N 0 0 430.526 3.862 50 0 IHAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)N[C@H](C)CCc2ccccc2)c3=O)cc1 ZINC000033300058 557078584 /nfs/dbraw/zinc/07/85/84/557078584.db2.gz XNFBEWYBLGLUHR-QGZVFWFLSA-N 0 0 432.549 3.966 50 0 IHAARN CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)C ZINC000023277678 557081797 /nfs/dbraw/zinc/08/17/97/557081797.db2.gz DMHLXOOJOUICLK-AWEZNQCLSA-N 0 0 446.997 3.608 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3CC(C)C)CC2)c(F)c1 ZINC000011307050 557082136 /nfs/dbraw/zinc/08/21/36/557082136.db2.gz IGCYQFNAJSGQOT-UHFFFAOYSA-N 0 0 446.592 3.939 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)c(C)c5)no4)ncn3n2)cc1 ZINC000048986233 557082290 /nfs/dbraw/zinc/08/22/90/557082290.db2.gz OHOMRGRIPYGGGF-UHFFFAOYSA-N 0 0 442.479 3.672 50 0 IHAARN C[C@@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000011309535 557082420 /nfs/dbraw/zinc/08/24/20/557082420.db2.gz VANPONMSLNQVJH-WDEREUQCSA-N 0 0 428.543 3.591 50 0 IHAARN Cc1cccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)n3c2)c1 ZINC000048986743 557082539 /nfs/dbraw/zinc/08/25/39/557082539.db2.gz NSVGFVKDGDOAMS-UHFFFAOYSA-N 0 0 449.898 3.657 50 0 IHAARN COc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4C)c3=O)n2)c1 ZINC000048986988 557082544 /nfs/dbraw/zinc/08/25/44/557082544.db2.gz LUZZWEKHZJULHW-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN Cc1ccccc1-c1noc(Cn2c3ccsc3c(=O)n(-c3cccc(F)c3)c2=O)n1 ZINC000048987023 557082596 /nfs/dbraw/zinc/08/25/96/557082596.db2.gz LUKMCSXSASMTEX-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3C)c2c1=O ZINC000048988073 557082796 /nfs/dbraw/zinc/08/27/96/557082796.db2.gz NMMAYSVPFVIXKZ-UHFFFAOYSA-N 0 0 430.508 3.767 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3cc(-c4noc(C)n4)ccc3n(C(C)C)c2=O)cc1 ZINC000033306804 557084701 /nfs/dbraw/zinc/08/47/01/557084701.db2.gz KUNDZQUUCCXJPX-UHFFFAOYSA-N 0 0 435.484 3.780 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cccc1-c1nc(-c2cccc(F)c2)no1 ZINC000049007945 557085988 /nfs/dbraw/zinc/08/59/88/557085988.db2.gz KPMHDPGCCLGFEJ-UHFFFAOYSA-N 0 0 434.427 3.660 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)c(C)c1 ZINC000049008912 557086790 /nfs/dbraw/zinc/08/67/90/557086790.db2.gz UFKVZCBAGXNOEJ-UHFFFAOYSA-N 0 0 425.558 3.880 50 0 IHAARN CCCn1c2ccccc2n(CCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1=O ZINC000010905268 557088475 /nfs/dbraw/zinc/08/84/75/557088475.db2.gz BIWIACDFNPABCG-UHFFFAOYSA-N 0 0 445.567 3.781 50 0 IHAARN Cc1ccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000049002200 557089833 /nfs/dbraw/zinc/08/98/33/557089833.db2.gz NPGMKJYUZZIULV-UHFFFAOYSA-N 0 0 432.524 3.587 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC(C)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760037 557090400 /nfs/dbraw/zinc/09/04/00/557090400.db2.gz JRBFYYSOAPEDOM-NHCUHLMSSA-N 0 0 428.554 3.934 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c1 ZINC000049002557 557090425 /nfs/dbraw/zinc/09/04/25/557090425.db2.gz PWYAZWLFHOSMAK-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411680 557091652 /nfs/dbraw/zinc/09/16/52/557091652.db2.gz YFIITXKJSADHAA-QFIPXVFZSA-N 0 0 439.475 3.751 50 0 IHAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCNc4ccccn4)c23)C1 ZINC000023425814 557092008 /nfs/dbraw/zinc/09/20/08/557092008.db2.gz MZCXCMJVLUURBO-INIZCTEOSA-N 0 0 438.601 3.567 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000023434039 557092112 /nfs/dbraw/zinc/09/21/12/557092112.db2.gz MPKAVTDFKIZZPP-BEFAXECRSA-N 0 0 441.553 3.723 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CCc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1OC ZINC000033309548 557092303 /nfs/dbraw/zinc/09/23/03/557092303.db2.gz BGPYGGFQXJXHOZ-KRWDZBQOSA-N 0 0 445.523 3.927 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccccn2)cc1Cl ZINC000049004151 557092327 /nfs/dbraw/zinc/09/23/27/557092327.db2.gz NCEYCNMWMJMIDM-UHFFFAOYSA-N 0 0 435.958 3.860 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ncn3n2)cc1 ZINC000049004288 557092603 /nfs/dbraw/zinc/09/26/03/557092603.db2.gz FCSZHKWXRNRXES-UHFFFAOYSA-N 0 0 448.870 3.708 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000033310395 557092878 /nfs/dbraw/zinc/09/28/78/557092878.db2.gz IILWCEGTWDPNMC-UHFFFAOYSA-N 0 0 442.943 3.744 50 0 IHAARN O=C(CNC(=O)c1ccccc1F)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000010908648 557093252 /nfs/dbraw/zinc/09/32/52/557093252.db2.gz DUVMWSBCCUCUGS-UHFFFAOYSA-N 0 0 446.457 3.864 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)CC2=O)cc1 ZINC000049363041 557094272 /nfs/dbraw/zinc/09/42/72/557094272.db2.gz XMSKBVZJPYRORE-QGZVFWFLSA-N 0 0 436.537 3.866 50 0 IHAARN O=C([C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1)N1CCOCC1 ZINC000017542707 557095118 /nfs/dbraw/zinc/09/51/18/557095118.db2.gz DSMGMLIQCNGTOX-SFHVURJKSA-N 0 0 441.578 3.556 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000033312749 557096513 /nfs/dbraw/zinc/09/65/13/557096513.db2.gz CLJJKGVGUMSRPR-JOCHJYFZSA-N 0 0 445.485 3.543 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000049403223 557098825 /nfs/dbraw/zinc/09/88/25/557098825.db2.gz XRNGRIYVAHJXPO-UHFFFAOYSA-N 0 0 434.496 3.650 50 0 IHAARN CCc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3F)C3=C2C(=O)OC3)cc1 ZINC000049403068 557098829 /nfs/dbraw/zinc/09/88/29/557098829.db2.gz QSCXGTWQLSXRDL-HXUWFJFHSA-N 0 0 443.862 3.557 50 0 IHAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn2)cc1C ZINC000049406303 557099722 /nfs/dbraw/zinc/09/97/22/557099722.db2.gz YJVALANFOFSSKI-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)c1C ZINC000085620819 557102349 /nfs/dbraw/zinc/10/23/49/557102349.db2.gz FANOWHVNSCLANO-LJQANCHMSA-N 0 0 429.561 3.667 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000085621389 557102851 /nfs/dbraw/zinc/10/28/51/557102851.db2.gz GEDZDDHGWALOQE-GOSISDBHSA-N 0 0 431.577 3.888 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3F)c3ccc(OC)cc3)cn21 ZINC000049408345 557103099 /nfs/dbraw/zinc/10/30/99/557103099.db2.gz HZRWHRRJYIAHLN-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3cccc(F)c3)cn12 ZINC000049408481 557103456 /nfs/dbraw/zinc/10/34/56/557103456.db2.gz JVIXBWDXNLXIJQ-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)c1 ZINC000049409636 557104692 /nfs/dbraw/zinc/10/46/92/557104692.db2.gz LRWNYLYEIWFFIR-FQEVSTJZSA-N 0 0 432.572 3.999 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000049409650 557104696 /nfs/dbraw/zinc/10/46/96/557104696.db2.gz IOBHJSSKMVAZOS-LJQANCHMSA-N 0 0 448.571 3.699 50 0 IHAARN Cc1ccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)cc1 ZINC000049409678 557104980 /nfs/dbraw/zinc/10/49/80/557104980.db2.gz KGQQEWFGBMWJNI-FQEVSTJZSA-N 0 0 432.572 3.999 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147543 557105185 /nfs/dbraw/zinc/10/51/85/557105185.db2.gz MISAPAFUHCNJRV-UHFFFAOYSA-N 0 0 440.503 3.717 50 0 IHAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n32)c1 ZINC000049410684 557105875 /nfs/dbraw/zinc/10/58/75/557105875.db2.gz HHRCKHBVKJIAHG-UHFFFAOYSA-N 0 0 436.903 3.852 50 0 IHAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1ccccc1C(F)(F)F ZINC000585147774 557106599 /nfs/dbraw/zinc/10/65/99/557106599.db2.gz ZUDKAQNHSCCVIE-UHFFFAOYSA-N 0 0 440.447 3.561 50 0 IHAARN O=C1C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000086053453 557106627 /nfs/dbraw/zinc/10/66/27/557106627.db2.gz NYMLSZLJZLIMED-HXRGIAOBSA-N 0 0 444.362 3.956 50 0 IHAARN CCCCNC(=O)Cn1c2nc(-c3ccc(C)cc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324762 557106982 /nfs/dbraw/zinc/10/69/82/557106982.db2.gz CLVJQHWDLOAVFC-UHFFFAOYSA-N 0 0 443.551 3.682 50 0 IHAARN CCOc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(OC)cc4)nn3c2C)cc1 ZINC000086069746 557108108 /nfs/dbraw/zinc/10/81/08/557108108.db2.gz GADGCUFSFGUTAX-UHFFFAOYSA-N 0 0 431.496 3.997 50 0 IHAARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn21)C(=O)NC1CCCCC1 ZINC000049421467 557108155 /nfs/dbraw/zinc/10/81/55/557108155.db2.gz XZBUZYWNQOJIKZ-LJQANCHMSA-N 0 0 443.573 3.923 50 0 IHAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000023708922 557108727 /nfs/dbraw/zinc/10/87/27/557108727.db2.gz NHXKDDDJTJVLCH-UHFFFAOYSA-N 0 0 441.475 3.931 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCc2sccc2C1 ZINC000010923475 557111732 /nfs/dbraw/zinc/11/17/32/557111732.db2.gz JRNYFEGVYDBBGI-UHFFFAOYSA-N 0 0 442.965 3.526 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1cc(OC)cc(OC)c1 ZINC000049547306 557112205 /nfs/dbraw/zinc/11/22/05/557112205.db2.gz WSPPXRICGHCEOP-LJQANCHMSA-N 0 0 436.468 3.885 50 0 IHAARN O=C(Nc1cccc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)c1)c1ccco1 ZINC000011361551 557113571 /nfs/dbraw/zinc/11/35/71/557113571.db2.gz DQVINDAJYLNYLF-UHFFFAOYSA-N 0 0 430.420 3.946 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000023787366 557116012 /nfs/dbraw/zinc/11/60/12/557116012.db2.gz MCUZHGRSJYYMDC-UHFFFAOYSA-N 0 0 442.922 3.810 50 0 IHAARN CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000023224732 557116371 /nfs/dbraw/zinc/11/63/71/557116371.db2.gz GUSPVTVHRMDSBO-OAQYLSRUSA-N 0 0 430.564 3.702 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000023817570 557118087 /nfs/dbraw/zinc/11/80/87/557118087.db2.gz DAQVLPFCFLZESA-UHFFFAOYSA-N 0 0 431.924 3.813 50 0 IHAARN Cc1nc(SCC(=O)N2CCN(Cc3cccs3)CC2)[nH]c1Cc1ccccc1 ZINC000023872951 557121669 /nfs/dbraw/zinc/12/16/69/557121669.db2.gz PLNIDIJXLLFRGF-UHFFFAOYSA-N 0 0 426.611 3.807 50 0 IHAARN COc1ccc(OCCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000023866458 557121695 /nfs/dbraw/zinc/12/16/95/557121695.db2.gz MHMQEZZJSSAMGN-UHFFFAOYSA-N 0 0 425.554 3.808 50 0 IHAARN CCN1C[C@@H](CN(C)C(=O)c2cc(OC)c(Br)c(OC)c2)Oc2ccccc21 ZINC000024652850 557122055 /nfs/dbraw/zinc/12/20/55/557122055.db2.gz ALEYEVPXJJQTKF-OAHLLOKOSA-N 0 0 449.345 3.826 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 ZINC000023883502 557123851 /nfs/dbraw/zinc/12/38/51/557123851.db2.gz MFJMITLALOOXQV-LFPIHBKWSA-N 0 0 437.446 3.762 50 0 IHAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023908127 557124759 /nfs/dbraw/zinc/12/47/59/557124759.db2.gz VQQWCOXRDFCYLN-UHFFFAOYSA-N 0 0 449.580 3.708 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCCC2)c1 ZINC000023955920 557127647 /nfs/dbraw/zinc/12/76/47/557127647.db2.gz WKNSEAQNXZOKAB-UHFFFAOYSA-N 0 0 436.537 3.759 50 0 IHAARN O=C(OCc1c(F)cccc1Cl)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000017954382 557130504 /nfs/dbraw/zinc/13/05/04/557130504.db2.gz XFVPUDAKFJAOAQ-QFIPXVFZSA-N 0 0 428.847 3.664 50 0 IHAARN O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023995169 557130875 /nfs/dbraw/zinc/13/08/75/557130875.db2.gz ZJGNDSPCTJMHEM-NRFANRHFSA-N 0 0 438.593 3.851 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCCNC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000017962212 557132771 /nfs/dbraw/zinc/13/27/71/557132771.db2.gz FTYCOYLQIZEJBF-UHFFFAOYSA-N 0 0 429.948 3.872 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000024050947 557134422 /nfs/dbraw/zinc/13/44/22/557134422.db2.gz PVCOHQITCOGKMR-UHFFFAOYSA-N 0 0 436.512 3.759 50 0 IHAARN COc1ccc(NC(=O)Cc2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000024068783 557134807 /nfs/dbraw/zinc/13/48/07/557134807.db2.gz UWKSCEHKFHFCPG-UHFFFAOYSA-N 0 0 449.916 3.935 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000017982407 557136092 /nfs/dbraw/zinc/13/60/92/557136092.db2.gz OIWXOPKNNGLNSE-UHFFFAOYSA-N 0 0 429.425 3.905 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000024208062 557140830 /nfs/dbraw/zinc/14/08/30/557140830.db2.gz PLZIBLXXWWXLER-OAQYLSRUSA-N 0 0 425.529 3.837 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000024210539 557141159 /nfs/dbraw/zinc/14/11/59/557141159.db2.gz GWRPUTDMHNDSJK-UHFFFAOYSA-N 0 0 425.529 3.796 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1Cl ZINC000024304985 557143520 /nfs/dbraw/zinc/14/35/20/557143520.db2.gz NJCLGMNCDPPQQL-SUYBPPKGSA-N 0 0 435.981 3.972 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cc(Cl)c(N)cc3OC)cc(=O)oc2c1 ZINC000011457856 557150920 /nfs/dbraw/zinc/15/09/20/557150920.db2.gz BHTOFXFBXARRKS-UHFFFAOYSA-N 0 0 446.843 3.963 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1 ZINC000024575864 557151555 /nfs/dbraw/zinc/15/15/55/557151555.db2.gz HTZKVOYDAPREQL-LJQANCHMSA-N 0 0 441.959 3.550 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000024576521 557151768 /nfs/dbraw/zinc/15/17/68/557151768.db2.gz ZCIBRTNFITWCKX-JKSUJKDBSA-N 0 0 427.530 3.792 50 0 IHAARN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609768 557154613 /nfs/dbraw/zinc/15/46/13/557154613.db2.gz CYTAGTSLSXDQPT-UHFFFAOYSA-N 0 0 442.622 3.550 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610766 557154859 /nfs/dbraw/zinc/15/48/59/557154859.db2.gz CQQWGKVRNRWVBS-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610696 557154918 /nfs/dbraw/zinc/15/49/18/557154918.db2.gz XCLUYIQLJLYWNM-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)co2)cc1 ZINC000024622494 557156123 /nfs/dbraw/zinc/15/61/23/557156123.db2.gz AOPBIGZUOZOQNC-UHFFFAOYSA-N 0 0 434.540 3.723 50 0 IHAARN Nn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000011518263 557156769 /nfs/dbraw/zinc/15/67/69/557156769.db2.gz BAZNCRUGUNTDQI-UHFFFAOYSA-N 0 0 428.823 3.513 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(N)s1)C[C@@H](CC)CC2 ZINC000095481989 557157481 /nfs/dbraw/zinc/15/74/81/557157481.db2.gz KFUSJSXBEYCNFV-VIFPVBQESA-N 0 0 426.589 3.604 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cnn(-c3ccc(C)cc3)c2)C[C@@H]1CCO ZINC000095526332 557158075 /nfs/dbraw/zinc/15/80/75/557158075.db2.gz AMSZZSSVNKECGN-VWLOTQADSA-N 0 0 434.584 3.648 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000024689316 557158800 /nfs/dbraw/zinc/15/88/00/557158800.db2.gz PJIGFOAKHNSVBN-UHFFFAOYSA-N 0 0 444.351 3.677 50 0 IHAARN COCCN(C(=O)c1ccc(F)cc1F)[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000072292794 557159583 /nfs/dbraw/zinc/15/95/83/557159583.db2.gz LAWHOQDWOIAKLT-KRWDZBQOSA-N 0 0 442.256 3.730 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000004816162 557160206 /nfs/dbraw/zinc/16/02/06/557160206.db2.gz HDEGFTGIXYLFDK-AEFFLSMTSA-N 0 0 429.590 3.575 50 0 IHAARN O=C(CCc1cc(Br)ccc1OC(F)F)N[C@@H]1CCN(c2ccccn2)C1 ZINC000206827523 557163025 /nfs/dbraw/zinc/16/30/25/557163025.db2.gz UCALHKRLGUGLPS-OAHLLOKOSA-N 0 0 440.288 3.773 50 0 IHAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000024759411 557164006 /nfs/dbraw/zinc/16/40/06/557164006.db2.gz OMKCEPZROCEANY-INIZCTEOSA-N 0 0 442.947 3.743 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000024775152 557166591 /nfs/dbraw/zinc/16/65/91/557166591.db2.gz YTELFJZWRTVSNX-GHTZIAJQSA-N 0 0 436.508 3.921 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000024820232 557169059 /nfs/dbraw/zinc/16/90/59/557169059.db2.gz JVCKFMRITOOVTO-UHFFFAOYSA-N 0 0 441.329 3.962 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000024830610 557170323 /nfs/dbraw/zinc/17/03/23/557170323.db2.gz RLNCMOBYDATGQF-UHFFFAOYSA-N 0 0 433.386 3.901 50 0 IHAARN Cc1c(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000024830813 557170330 /nfs/dbraw/zinc/17/03/30/557170330.db2.gz VUTPRYVEHZBEDF-UHFFFAOYSA-N 0 0 438.484 3.911 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000207001386 557170255 /nfs/dbraw/zinc/17/02/55/557170255.db2.gz FEZKAMYBIVMREK-GOSISDBHSA-N 0 0 425.959 3.996 50 0 IHAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000024841512 557173543 /nfs/dbraw/zinc/17/35/43/557173543.db2.gz IXFJKLHXNQAULZ-UHFFFAOYSA-N 0 0 434.588 3.614 50 0 IHAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CSc1cccc[n+]1[O-])OCCO3 ZINC000024842441 557173580 /nfs/dbraw/zinc/17/35/80/557173580.db2.gz OXSJRXXIMBLWKH-MRXNPFEDSA-N 0 0 426.538 3.599 50 0 IHAARN CCN(CC)C(=O)[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccccc1 ZINC000024843527 557173912 /nfs/dbraw/zinc/17/39/12/557173912.db2.gz CJKWHFODQDUEMY-HSZRJFAPSA-N 0 0 447.535 3.889 50 0 IHAARN CC(C)CCNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014955150 557174741 /nfs/dbraw/zinc/17/47/41/557174741.db2.gz WJUZHUNHUGTIPG-FQEVSTJZSA-N 0 0 445.604 3.646 50 0 IHAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cnc12 ZINC000024865199 557175245 /nfs/dbraw/zinc/17/52/45/557175245.db2.gz VAUDRJYWHWFETE-FQEVSTJZSA-N 0 0 433.508 3.620 50 0 IHAARN Cc1nnc(COC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)o1 ZINC000024908393 557178261 /nfs/dbraw/zinc/17/82/61/557178261.db2.gz YONIQQUTZWFZIL-UHFFFAOYSA-N 0 0 447.900 3.530 50 0 IHAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc(Cl)cc1 ZINC000024923969 557179151 /nfs/dbraw/zinc/17/91/51/557179151.db2.gz RVBHISKTBXULGY-GFCCVEGCSA-N 0 0 448.397 3.832 50 0 IHAARN Cc1csc(-c2cccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)c2)n1 ZINC000218170906 557180786 /nfs/dbraw/zinc/18/07/86/557180786.db2.gz DXEHXMZBNWULTA-FQEVSTJZSA-N 0 0 435.549 3.532 50 0 IHAARN COc1cccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 ZINC000009095795 557181494 /nfs/dbraw/zinc/18/14/94/557181494.db2.gz GKWKKKZHOAEGGI-ZDUSSCGKSA-N 0 0 444.944 3.943 50 0 IHAARN O=C(Nc1nnc(Cc2ccccc2)s1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000024951218 557182079 /nfs/dbraw/zinc/18/20/79/557182079.db2.gz QGNPYKPMWQHGDX-UHFFFAOYSA-N 0 0 427.551 3.854 50 0 IHAARN Cc1ccc(-n2nc(C(F)(F)F)c3cc(C(=O)NCCNC(=O)C4CC4)sc32)cc1 ZINC000096210149 557183009 /nfs/dbraw/zinc/18/30/09/557183009.db2.gz LRPMZIXAOWVYQL-UHFFFAOYSA-N 0 0 436.459 3.670 50 0 IHAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccc(C)cc2)CC1 ZINC000024969389 557183376 /nfs/dbraw/zinc/18/33/76/557183376.db2.gz RJAPUUKGDBCFPK-JOCHJYFZSA-N 0 0 429.948 3.509 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1 ZINC000024980256 557185145 /nfs/dbraw/zinc/18/51/45/557185145.db2.gz PCJZOHJGKMNZLJ-MRXNPFEDSA-N 0 0 432.362 3.641 50 0 IHAARN COc1ccc(OCc2nnc(Sc3cc(C)nc4ncnn43)n2-c2ccccc2)cc1 ZINC000024990226 557187351 /nfs/dbraw/zinc/18/73/51/557187351.db2.gz HHLXWAJCXZJBDJ-UHFFFAOYSA-N 0 0 445.508 3.752 50 0 IHAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000024989673 557187361 /nfs/dbraw/zinc/18/73/61/557187361.db2.gz XYBFNYZSYQQRME-UHFFFAOYSA-N 0 0 448.507 3.681 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000024992076 557187939 /nfs/dbraw/zinc/18/79/39/557187939.db2.gz PMFPNTOSXCUBKK-UHFFFAOYSA-N 0 0 446.503 3.968 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)NC1CCCC1 ZINC000009426774 557188467 /nfs/dbraw/zinc/18/84/67/557188467.db2.gz FXOZXROUVUVFMH-UHFFFAOYSA-N 0 0 435.981 3.592 50 0 IHAARN Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1NS(C)(=O)=O ZINC000025090899 557195184 /nfs/dbraw/zinc/19/51/84/557195184.db2.gz BCYPJDBVILDQRW-UHFFFAOYSA-N 0 0 437.359 3.934 50 0 IHAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(Br)s1 ZINC000100873146 557196120 /nfs/dbraw/zinc/19/61/20/557196120.db2.gz MXEVAFCFRBOTCY-VLGSPTGOSA-N 0 0 427.345 3.923 50 0 IHAARN O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025145983 557196469 /nfs/dbraw/zinc/19/64/69/557196469.db2.gz CPKMUTRQOQLNPX-SANMLTNESA-N 0 0 440.503 3.974 50 0 IHAARN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151728 557197291 /nfs/dbraw/zinc/19/72/91/557197291.db2.gz FEIYFBKXMDGQTQ-KRWDZBQOSA-N 0 0 440.515 3.539 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc([C@@H](C)CC)nc(C)c2Cc2ccccc2F)CC1 ZINC000096317101 557198818 /nfs/dbraw/zinc/19/88/18/557198818.db2.gz GUECKUZIWPOGHK-KRWDZBQOSA-N 0 0 448.608 3.890 50 0 IHAARN CC[C@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096317087 557198866 /nfs/dbraw/zinc/19/88/66/557198866.db2.gz XYMIPLPFKOTMBQ-INIZCTEOSA-N 0 0 434.581 3.500 50 0 IHAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100923326 557201987 /nfs/dbraw/zinc/20/19/87/557201987.db2.gz HDGRGYIOPAXWKP-BXUZGUMPSA-N 0 0 430.169 3.700 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000025283819 557202494 /nfs/dbraw/zinc/20/24/94/557202494.db2.gz IZLNZBRKZRRVHV-SJLPKXTDSA-N 0 0 435.567 3.580 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccnc3)c2)cc1 ZINC000006244081 557207568 /nfs/dbraw/zinc/20/75/68/557207568.db2.gz LBUOHCDBRRBFIO-UHFFFAOYSA-N 0 0 425.510 3.553 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000010137576 557207592 /nfs/dbraw/zinc/20/75/92/557207592.db2.gz AOLISUIQCFVRQC-UHFFFAOYSA-N 0 0 449.458 3.627 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C ZINC000011603298 557207892 /nfs/dbraw/zinc/20/78/92/557207892.db2.gz RMKFWRRICSBXFG-APWZRJJASA-N 0 0 433.961 3.571 50 0 IHAARN Cc1ccc2oc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc(=O)c2c1 ZINC000018012396 557209157 /nfs/dbraw/zinc/20/91/57/557209157.db2.gz HAKCJKGGAKJLQE-UHFFFAOYSA-N 0 0 434.370 3.711 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443958 557210100 /nfs/dbraw/zinc/21/01/00/557210100.db2.gz OREVYAWMANQTCL-HXUWFJFHSA-N 0 0 430.549 3.783 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc(C)c1C ZINC000010985568 557211067 /nfs/dbraw/zinc/21/10/67/557211067.db2.gz AKIIXQSWPMVWTB-UHFFFAOYSA-N 0 0 444.582 3.674 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766340 557211805 /nfs/dbraw/zinc/21/18/05/557211805.db2.gz JTMLVCBFHOCROC-QHCPKHFHSA-N 0 0 436.531 3.580 50 0 IHAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000025590660 557218074 /nfs/dbraw/zinc/21/80/74/557218074.db2.gz QWDMBXKDQYMAFN-VWLOTQADSA-N 0 0 433.577 3.878 50 0 IHAARN COc1cc(Br)c(CC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1OC ZINC000025678530 557221653 /nfs/dbraw/zinc/22/16/53/557221653.db2.gz LUVGZWRVLHYUFK-UHFFFAOYSA-N 0 0 447.329 3.674 50 0 IHAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000025686536 557221999 /nfs/dbraw/zinc/22/19/99/557221999.db2.gz HCOOEHZMZHCUOR-UHFFFAOYSA-N 0 0 438.981 3.539 50 0 IHAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)COc2ccc(OC)cc2)cc1 ZINC000032949333 557222672 /nfs/dbraw/zinc/22/26/72/557222672.db2.gz OWXWDGWQRAZULO-HXUWFJFHSA-N 0 0 449.503 3.782 50 0 biogenic IHAARN C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000025702125 557222689 /nfs/dbraw/zinc/22/26/89/557222689.db2.gz GZFPESYJRXMASG-IBGZPJMESA-N 0 0 433.508 3.644 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000025717060 557223334 /nfs/dbraw/zinc/22/33/34/557223334.db2.gz URYVQNCTCAZALL-GOSISDBHSA-N 0 0 442.585 3.597 50 0 IHAARN COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000025755637 557224608 /nfs/dbraw/zinc/22/46/08/557224608.db2.gz UKDCQBQBXCHWEL-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000025835691 557228116 /nfs/dbraw/zinc/22/81/16/557228116.db2.gz SNDCARWFGPDMQP-RUZDIDTESA-N 0 0 443.576 3.936 50 0 IHAARN O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011375092 557228852 /nfs/dbraw/zinc/22/88/52/557228852.db2.gz PGVJFEYZUJMBRN-UHFFFAOYSA-N 0 0 427.452 3.843 50 0 IHAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000025898335 557229328 /nfs/dbraw/zinc/22/93/28/557229328.db2.gz UCRFEGWXONIIFG-OAQYLSRUSA-N 0 0 426.563 3.834 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 ZINC000011534572 557229802 /nfs/dbraw/zinc/22/98/02/557229802.db2.gz HQGLYVOHDDXMBD-KRWDZBQOSA-N 0 0 449.532 3.923 50 0 IHAARN Cc1cc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2n1 ZINC000011666336 557231535 /nfs/dbraw/zinc/23/15/35/557231535.db2.gz SSXGTVCRRGDDSB-UHFFFAOYSA-N 0 0 430.555 3.735 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC ZINC000011693357 557232137 /nfs/dbraw/zinc/23/21/37/557232137.db2.gz YVBRSEWMOIALMM-UHFFFAOYSA-N 0 0 427.888 4.000 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3csc4nc(C)cc(=O)n34)cc2)cc1F ZINC000011696396 557233191 /nfs/dbraw/zinc/23/31/91/557233191.db2.gz RUDVOIXPZYDQPV-UHFFFAOYSA-N 0 0 445.497 3.680 50 0 IHAARN C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 ZINC000018047785 557233483 /nfs/dbraw/zinc/23/34/83/557233483.db2.gz LGHGUBQBEKSQHP-HNNXBMFYSA-N 0 0 441.329 3.632 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1F ZINC000098211491 557235124 /nfs/dbraw/zinc/23/51/24/557235124.db2.gz MDYZRQVTLQRLFW-UHFFFAOYSA-N 0 0 449.442 3.950 50 0 IHAARN NC(=O)CCc1nnc(SCc2coc(-c3cccc(Cl)c3)n2)n1Cc1ccco1 ZINC000026122379 557235586 /nfs/dbraw/zinc/23/55/86/557235586.db2.gz LUAAYPYFZOYVIV-UHFFFAOYSA-N 0 0 443.916 3.938 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)n[nH]2)cc1 ZINC000098212549 557235697 /nfs/dbraw/zinc/23/56/97/557235697.db2.gz DEYWKCHLOQOVAQ-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN Cc1ccccc1N1C(=O)C[C@H]([C@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C2)C1=O ZINC000100073776 557239943 /nfs/dbraw/zinc/23/99/43/557239943.db2.gz JQRMVDOOOSTCBW-UECWXEIQSA-N 0 0 442.515 3.955 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)N[C@@]3(CCCN(C(=O)c4ccccc4Cl)C3)C2=O)c1 ZINC000583649073 557240120 /nfs/dbraw/zinc/24/01/20/557240120.db2.gz UQOFXEVNUPHCAF-HSZRJFAPSA-N 0 0 425.916 3.684 50 0 IHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ncn(C[C@@H](O)c2ccc(F)cc2)n1 ZINC000583649645 557240617 /nfs/dbraw/zinc/24/06/17/557240617.db2.gz RIWMYUHAHOYKGQ-JOCHJYFZSA-N 0 0 432.455 3.982 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000026555991 557244790 /nfs/dbraw/zinc/24/47/90/557244790.db2.gz YYSQTUTYSAJAGE-LJQANCHMSA-N 0 0 447.568 3.889 50 0 IHAARN FC(F)(F)Oc1ccc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1 ZINC000026687730 557246460 /nfs/dbraw/zinc/24/64/60/557246460.db2.gz UURPGJGGHOSDKC-UHFFFAOYSA-N 0 0 441.523 3.814 50 0 IHAARN Cc1nc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 ZINC000390829690 557249516 /nfs/dbraw/zinc/24/95/16/557249516.db2.gz FYNWZOBOBXQTFG-UHFFFAOYSA-N 0 0 448.898 3.546 50 0 IHAARN O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000026859949 557249718 /nfs/dbraw/zinc/24/97/18/557249718.db2.gz ULEJZGSDXWVDOO-UHFFFAOYSA-N 0 0 444.738 3.534 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000026852048 557249745 /nfs/dbraw/zinc/24/97/45/557249745.db2.gz LSHHAKPSLGKHTM-HSZRJFAPSA-N 0 0 437.540 3.551 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000026989945 557253548 /nfs/dbraw/zinc/25/35/48/557253548.db2.gz UKDKFXZQVWHJHY-AWEZNQCLSA-N 0 0 436.468 3.938 50 0 IHAARN COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O ZINC000000812753 557253752 /nfs/dbraw/zinc/25/37/52/557253752.db2.gz PYXNIQRZUARJFD-UHFFFAOYSA-N 0 0 448.504 3.666 50 0 IHAARN C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000027075360 557256663 /nfs/dbraw/zinc/25/66/63/557256663.db2.gz WOQVFEUMPSVVON-HXUWFJFHSA-N 0 0 448.563 3.809 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)cc1C ZINC000101160684 557257481 /nfs/dbraw/zinc/25/74/81/557257481.db2.gz OANOIEJELKOSSJ-UHFFFAOYSA-N 0 0 438.553 3.915 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000027243144 557259122 /nfs/dbraw/zinc/25/91/22/557259122.db2.gz DCVGFIRNEIHSPF-HXUWFJFHSA-N 0 0 434.540 3.808 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000027254459 557259399 /nfs/dbraw/zinc/25/93/99/557259399.db2.gz SVZIWBNIDYCWSP-RPWUZVMVSA-N 0 0 442.563 3.943 50 0 IHAARN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000027324165 557260024 /nfs/dbraw/zinc/26/00/24/557260024.db2.gz ZGTVNPNMTQVRHV-MRXNPFEDSA-N 0 0 425.506 3.652 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1=NN(C(C)C)C(=O)CC1)CC2 ZINC000072271681 557264110 /nfs/dbraw/zinc/26/41/10/557264110.db2.gz WDVDZMICNBPQRN-QFIPXVFZSA-N 0 0 441.553 3.626 50 0 IHAARN O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C(=O)N1Cc1cccs1 ZINC000027531820 557264141 /nfs/dbraw/zinc/26/41/41/557264141.db2.gz HLJGSBDKBIOZQM-LJQANCHMSA-N 0 0 437.546 3.706 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100090990 557265661 /nfs/dbraw/zinc/26/56/61/557265661.db2.gz ZTLSBLCLYFIIBS-BZSNNMDCSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281830 557266907 /nfs/dbraw/zinc/26/69/07/557266907.db2.gz RJINVHMOIRNJGG-UHFFFAOYSA-N 0 0 430.489 3.819 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000820257 557267275 /nfs/dbraw/zinc/26/72/75/557267275.db2.gz JYPBGSNPTNBKRE-UHFFFAOYSA-N 0 0 436.917 3.611 50 0 IHAARN O=C(NCCc1ccccc1)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)CCC2 ZINC000027663645 557269675 /nfs/dbraw/zinc/26/96/75/557269675.db2.gz APPPDMUJRQHKQK-HXUWFJFHSA-N 0 0 448.544 3.988 50 0 IHAARN CCOc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027663544 557269758 /nfs/dbraw/zinc/26/97/58/557269758.db2.gz MVENZFWMVDVMPS-HNNXBMFYSA-N 0 0 425.909 3.707 50 0 IHAARN COc1ccc(CCN2C(=O)C[C@H](Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000100702212 557270517 /nfs/dbraw/zinc/27/05/17/557270517.db2.gz CJXMDWMCQOPZLZ-INIZCTEOSA-N 0 0 432.314 3.627 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 ZINC000000829811 557272275 /nfs/dbraw/zinc/27/22/75/557272275.db2.gz NEUZQCSKKOFMSY-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000027792616 557274156 /nfs/dbraw/zinc/27/41/56/557274156.db2.gz VIEAFRCCDMGIIE-GOSISDBHSA-N 0 0 434.540 3.824 50 0 IHAARN CCCN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2C)C1=O ZINC000101415027 557284680 /nfs/dbraw/zinc/28/46/80/557284680.db2.gz FNDWLTXJNAELBY-MRXNPFEDSA-N 0 0 426.314 3.779 50 0 IHAARN CCc1cccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)c1 ZINC000101624498 557292773 /nfs/dbraw/zinc/29/27/73/557292773.db2.gz CFODDZKEGWDUHQ-UHFFFAOYSA-N 0 0 437.584 3.938 50 0 IHAARN Cc1ccc(C(=O)N2[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000101487479 557293242 /nfs/dbraw/zinc/29/32/42/557293242.db2.gz NECZLXZYJJPSMS-PCCBWWKXSA-N 0 0 439.943 3.929 50 0 IHAARN Cc1ccc(C(=O)N2[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000101487482 557293291 /nfs/dbraw/zinc/29/32/91/557293291.db2.gz NECZLXZYJJPSMS-QHAWAJNXSA-N 0 0 439.943 3.929 50 0 IHAARN Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1Cl ZINC000014068927 557297348 /nfs/dbraw/zinc/29/73/48/557297348.db2.gz MGIDMTMVQJNWDQ-UHFFFAOYSA-N 0 0 441.988 3.886 50 0 IHAARN CCc1ccccc1NC(=O)CCc1c(C)nc2[nH]c(NCc3ccc(C)cc3)nn2c1=O ZINC000101834958 557301638 /nfs/dbraw/zinc/30/16/38/557301638.db2.gz PWBGRFLAYGBOMA-UHFFFAOYSA-N 0 0 444.539 3.780 50 0 IHAARN C[C@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000014112731 557305157 /nfs/dbraw/zinc/30/51/57/557305157.db2.gz ORVOVTKMDFDFNB-FDDCHVKYSA-N 0 0 432.630 3.564 50 0 IHAARN COc1cccc(CNC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c1OC ZINC000101945902 557308184 /nfs/dbraw/zinc/30/81/84/557308184.db2.gz YDOIRXRWIJYNCG-GOSISDBHSA-N 0 0 435.524 3.856 50 0 IHAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014129645 557308196 /nfs/dbraw/zinc/30/81/96/557308196.db2.gz HCLFQARHCFYFLN-IBGZPJMESA-N 0 0 433.577 3.800 50 0 IHAARN COc1ccc(Br)c(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000032158041 557312265 /nfs/dbraw/zinc/31/22/65/557312265.db2.gz WWYAOVAASXCISG-LBPRGKRZSA-N 0 0 426.332 3.694 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000102127716 557312968 /nfs/dbraw/zinc/31/29/68/557312968.db2.gz RWFJAVPDHDAJDC-OYRHEFFESA-N 0 0 431.488 3.549 50 0 IHAARN CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 ZINC000032611710 557314473 /nfs/dbraw/zinc/31/44/73/557314473.db2.gz XWSCNGBVTBKNOK-UHFFFAOYSA-N 0 0 430.961 3.996 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H]1C ZINC000102216515 557315587 /nfs/dbraw/zinc/31/55/87/557315587.db2.gz KCOWZJVWDSEXQU-LLGFUMIMSA-N 0 0 444.553 3.585 50 0 IHAARN O=C1C[C@H]2Sc3ccc(Cl)cc3N=C2N1CCN1CCN(c2ccccc2)CC1 ZINC000103466592 557315771 /nfs/dbraw/zinc/31/57/71/557315771.db2.gz UETVAGQRHIDKPG-HXUWFJFHSA-N 0 0 426.973 3.899 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000102311416 557316276 /nfs/dbraw/zinc/31/62/76/557316276.db2.gz MIRIBSFCSZGVKW-SCTDSRPQSA-N 0 0 437.883 3.562 50 0 IHAARN CC(C)n1ncc2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cnc21 ZINC000032868833 557316412 /nfs/dbraw/zinc/31/64/12/557316412.db2.gz BGSHPNBZMSCXFL-UHFFFAOYSA-N 0 0 427.936 3.502 50 0 IHAARN COCCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000032915860 557318220 /nfs/dbraw/zinc/31/82/20/557318220.db2.gz CIBGTJHOOYDIRT-UHFFFAOYSA-N 0 0 428.510 3.551 50 0 IHAARN Cc1ccc(CCNC(=O)CSCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032987074 557321704 /nfs/dbraw/zinc/32/17/04/557321704.db2.gz JPIIBBFNOJERNJ-UHFFFAOYSA-N 0 0 440.594 3.999 50 0 IHAARN COc1cc(C(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc(OC)c1OC ZINC000033139594 557325753 /nfs/dbraw/zinc/32/57/53/557325753.db2.gz MRELRUVXXKCKCK-UHFFFAOYSA-N 0 0 441.459 3.921 50 0 IHAARN COCCN1C(=S)N[C@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000014232728 557326815 /nfs/dbraw/zinc/32/68/15/557326815.db2.gz SWOVRLLVXSKAHJ-KRWDZBQOSA-N 0 0 438.912 3.566 50 0 IHAARN Nc1c(N(CCC2=CCCCC2)C(=O)C[C@H]2C=CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000014633430 557346102 /nfs/dbraw/zinc/34/61/02/557346102.db2.gz VAYTZTZWUWPRJU-FQEVSTJZSA-N 0 0 448.567 3.747 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)OCO2 ZINC000024976832 557346997 /nfs/dbraw/zinc/34/69/97/557346997.db2.gz WEDFFDXUGFFHQG-UHFFFAOYSA-N 0 0 445.475 3.599 50 0 IHAARN CC[C@H](C)C(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000023335896 557348524 /nfs/dbraw/zinc/34/85/24/557348524.db2.gz ZHTCNLPZXJKUSR-ZDUSSCGKSA-N 0 0 433.343 3.793 50 0 IHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1ncnc2c1cnn2C ZINC000011679634 557352457 /nfs/dbraw/zinc/35/24/57/557352457.db2.gz JNYRRLTTYHPVQC-UHFFFAOYSA-N 0 0 433.559 3.531 50 0 IHAARN COc1cc(CNC(=O)c2c(C)noc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 ZINC000023432180 557355522 /nfs/dbraw/zinc/35/55/22/557355522.db2.gz SPXAMYIWWPBDQG-UHFFFAOYSA-N 0 0 442.468 3.623 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102553255 557358438 /nfs/dbraw/zinc/35/84/38/557358438.db2.gz QKZNKWQSIGMSFR-ZYNAIFEFSA-N 0 0 443.613 3.997 50 0 IHAARN CCOC(=O)[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000102649250 557361297 /nfs/dbraw/zinc/36/12/97/557361297.db2.gz QGBSTFRTQTXPJH-QHAWAJNXSA-N 0 0 435.476 3.827 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102706604 557366853 /nfs/dbraw/zinc/36/68/53/557366853.db2.gz RIWJAXKQAMZFDW-XPWALMASSA-N 0 0 430.460 3.842 50 0 IHAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)n1 ZINC000220815536 557367096 /nfs/dbraw/zinc/36/70/96/557367096.db2.gz ICOJWKPORJIKHI-QGZVFWFLSA-N 0 0 428.492 3.981 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000023881559 557377012 /nfs/dbraw/zinc/37/70/12/557377012.db2.gz BWDWKWZLGONWEO-JOCHJYFZSA-N 0 0 433.508 3.644 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@@H]1c1cccs1 ZINC000102748695 557378908 /nfs/dbraw/zinc/37/89/08/557378908.db2.gz BGKHRLSDMDFOGJ-LJQANCHMSA-N 0 0 440.550 3.598 50 0 IHAARN CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000024022967 557391679 /nfs/dbraw/zinc/39/16/79/557391679.db2.gz FEOODYXKDIPOHB-RUZDIDTESA-N 0 0 448.567 3.588 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102830001 557393981 /nfs/dbraw/zinc/39/39/81/557393981.db2.gz KOOYBPSPEFYTKQ-YHYVQYDKSA-N 0 0 447.535 3.634 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000013956646 557398531 /nfs/dbraw/zinc/39/85/31/557398531.db2.gz VXVQSBLYUQJXRC-INIZCTEOSA-N 0 0 429.590 3.635 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1 ZINC000033499226 557402163 /nfs/dbraw/zinc/40/21/63/557402163.db2.gz HDILZEAOSXFBFM-UHFFFAOYSA-N 0 0 432.611 3.781 50 0 IHAARN C[C@@H](OC(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000033504116 557402390 /nfs/dbraw/zinc/40/23/90/557402390.db2.gz MGVPKEDLJJCVLC-IGVIJBNESA-N 0 0 436.233 3.901 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000102896652 557411209 /nfs/dbraw/zinc/41/12/09/557411209.db2.gz BSKKTIHAIIMXPA-SJLPKXTDSA-N 0 0 428.558 3.732 50 0 IHAARN CCN(Cc1ccccc1)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1CCCOC ZINC000033588857 557414432 /nfs/dbraw/zinc/41/44/32/557414432.db2.gz KUMUJYAXBANXAA-UHFFFAOYSA-N 0 0 432.524 3.656 50 0 IHAARN CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000103137734 557421897 /nfs/dbraw/zinc/42/18/97/557421897.db2.gz KOTQDXOXUNHJPR-WXRGLTTHSA-N 0 0 435.517 3.591 50 0 IHAARN CCCNC(=O)[C@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)c2ccccc2O1 ZINC000103425053 557437017 /nfs/dbraw/zinc/43/70/17/557437017.db2.gz XOPLEFXKOPWWSC-ZJSXRUAMSA-N 0 0 449.576 3.748 50 0 IHAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC(OCCCOc3ccccc3)C2)CC1 ZINC000104250157 557453727 /nfs/dbraw/zinc/45/37/27/557453727.db2.gz KAARPEMLAMABCN-SEYXRHQNSA-N 0 0 448.563 3.635 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000100869481 557454665 /nfs/dbraw/zinc/45/46/65/557454665.db2.gz XHTNFIDJTKVFET-ZCNNSNEGSA-N 0 0 430.888 3.612 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000085690726 557459348 /nfs/dbraw/zinc/45/93/48/557459348.db2.gz IMFAAKINSZVNFU-CQSZACIVSA-N 0 0 439.903 3.625 50 0 IHAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000051319386 557470185 /nfs/dbraw/zinc/47/01/85/557470185.db2.gz SADUROQKHFBAJP-UHFFFAOYSA-N 0 0 431.851 3.571 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000105126582 557476201 /nfs/dbraw/zinc/47/62/01/557476201.db2.gz DYVFDWGLHXSYHP-VDRZXAFZSA-N 0 0 429.561 3.803 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004749900 557498581 /nfs/dbraw/zinc/49/85/81/557498581.db2.gz LHNIVPDNQDEMJW-OAQYLSRUSA-N 0 0 429.582 3.621 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000105955453 557512213 /nfs/dbraw/zinc/51/22/13/557512213.db2.gz FWUZAUVTECNSJM-QKLQHJQFSA-N 0 0 429.442 3.873 50 0 IHAARN CSc1nn(CC(=O)Nc2ccccc2F)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000046914346 557513762 /nfs/dbraw/zinc/51/37/62/557513762.db2.gz GWTVPUKURPIGLN-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN CC(=O)Nc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1 ZINC000046915881 557514103 /nfs/dbraw/zinc/51/41/03/557514103.db2.gz LDYOXEIFEJKDPI-UHFFFAOYSA-N 0 0 427.508 3.605 50 0 IHAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000047146259 557517073 /nfs/dbraw/zinc/51/70/73/557517073.db2.gz XKYNZMHFHYBTIG-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3cccc(Cl)c3)nc3cccnc32)c1 ZINC000047146555 557518017 /nfs/dbraw/zinc/51/80/17/557518017.db2.gz SEZLPJFEMWXZAA-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN CCOc1ccccc1-c1noc(COC(=O)c2ccc(OCc3noc(C)n3)cc2)n1 ZINC000012077610 557527278 /nfs/dbraw/zinc/52/72/78/557527278.db2.gz UDCISLUVCXXQCQ-UHFFFAOYSA-N 0 0 436.424 3.763 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000044902705 557540456 /nfs/dbraw/zinc/54/04/56/557540456.db2.gz YMBKRQNIXIBSOS-LJQANCHMSA-N 0 0 433.468 3.826 50 0 IHAARN O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc(Cl)cc1Cl ZINC000044903807 557540466 /nfs/dbraw/zinc/54/04/66/557540466.db2.gz ZOKHWVGGVBILLF-UHFFFAOYSA-N 0 0 429.325 3.513 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000045850692 557545963 /nfs/dbraw/zinc/54/59/63/557545963.db2.gz IPIMXGPOLIWZNB-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1 ZINC000045899442 557546160 /nfs/dbraw/zinc/54/61/60/557546160.db2.gz OQNLZTCOTLWQMV-UHFFFAOYSA-N 0 0 441.531 3.578 50 0 IHAARN CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000045899583 557546268 /nfs/dbraw/zinc/54/62/68/557546268.db2.gz AGOFYMCDGKULCH-UHFFFAOYSA-N 0 0 441.531 3.660 50 0 IHAARN CSc1cccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)c1 ZINC000045938850 557548236 /nfs/dbraw/zinc/54/82/36/557548236.db2.gz ZYWVFNGACVPFPL-UHFFFAOYSA-N 0 0 429.552 3.599 50 0 IHAARN O=C(CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21)Nc1ccc(Cl)cc1 ZINC000045925494 557550079 /nfs/dbraw/zinc/55/00/79/557550079.db2.gz FGZMUUZXULBMJO-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1Cl)C(=O)CS2 ZINC000045960780 557554850 /nfs/dbraw/zinc/55/48/50/557554850.db2.gz PUEFIDXEPUOLIG-UHFFFAOYSA-N 0 0 445.972 3.577 50 0 IHAARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc(Cl)c1 ZINC000000840497 557592518 /nfs/dbraw/zinc/59/25/18/557592518.db2.gz ZICMLKHLNQERCF-LIKPIUCQSA-N 0 0 428.875 3.877 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000040040446 557677532 /nfs/dbraw/zinc/67/75/32/557677532.db2.gz QATATKLZXVGRHH-KRWDZBQOSA-N 0 0 426.480 3.748 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc4n3CCCCC4)c2c1C ZINC000040019899 557679176 /nfs/dbraw/zinc/67/91/76/557679176.db2.gz IOWBLFWFZAYEHO-UHFFFAOYSA-N 0 0 430.603 3.609 50 0 IHAARN COc1nc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)cc2ccccc21 ZINC000225389293 557717611 /nfs/dbraw/zinc/71/76/11/557717611.db2.gz RYIQDRBKQDQRNN-UHFFFAOYSA-N 0 0 434.473 3.985 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000225408323 557719364 /nfs/dbraw/zinc/71/93/64/557719364.db2.gz QPJJNNPUZFQNGN-QGZVFWFLSA-N 0 0 425.957 3.831 50 0 IHAARN CCC[C@@H]1CCc2nc(NC(=O)[C@](C)(O)Cn3ccc4sccc4c3=O)sc2C1 ZINC000225443520 557723218 /nfs/dbraw/zinc/72/32/18/557723218.db2.gz JCRSPHFXJZBRLU-LRTDBIEQSA-N 0 0 431.583 3.814 50 0 IHAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2csc(NC(=O)c3cccc(Cl)c3)n2)C1 ZINC000040428186 557727441 /nfs/dbraw/zinc/72/74/41/557727441.db2.gz XDMSOHMRJVETNO-HNNXBMFYSA-N 0 0 448.976 3.769 50 0 IHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(O)(c3scnc3Br)CC2)s1 ZINC000225489205 557729111 /nfs/dbraw/zinc/72/91/11/557729111.db2.gz RSTUPQXNTUQBMX-NEPJUHHUSA-N 0 0 427.389 3.889 50 0 IHAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3ccccc3Nc3ccccc3)C2=O)c1 ZINC000225488965 557729128 /nfs/dbraw/zinc/72/91/28/557729128.db2.gz YBQZJDPYJIQZCS-DEOSSOPVSA-N 0 0 430.464 3.551 50 0 IHAARN COc1cccc(CC(=O)NCc2ccc([C@@H](C)NC(=O)Cc3cccc(OC)c3)cc2)c1 ZINC000225577174 557745938 /nfs/dbraw/zinc/74/59/38/557745938.db2.gz IJQVFAONQQQZNS-LJQANCHMSA-N 0 0 446.547 3.983 50 0 IHAARN CC(C)(C)OC(=O)[C@H]1C[C@H](CNC(=O)c2cc3cc(Br)ccc3o2)[C@@H](O)C1 ZINC000225742796 557771599 /nfs/dbraw/zinc/77/15/99/557771599.db2.gz AVPNJILJPFIILA-GUTXKFCHSA-N 0 0 438.318 3.654 50 0 IHAARN COc1cccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)c1 ZINC000226888107 557810471 /nfs/dbraw/zinc/81/04/71/557810471.db2.gz NWCVKNREMOYHHI-YTFSRNRJSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(Br)c(Br)s1 ZINC000059284000 557819419 /nfs/dbraw/zinc/81/94/19/557819419.db2.gz QDHOCIZJCVANHA-UHFFFAOYSA-N 0 0 443.124 3.810 50 0 IHAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000000845476 557828669 /nfs/dbraw/zinc/82/86/69/557828669.db2.gz QRWVJHDEBYQMBT-KRWDZBQOSA-N 0 0 444.372 3.903 50 0 IHAARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1Cl ZINC000000866654 557839956 /nfs/dbraw/zinc/83/99/56/557839956.db2.gz YJBMGDPGZIJORN-UJKMTWAASA-N 0 0 428.875 3.877 50 0 IHAARN COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000000869227 557840396 /nfs/dbraw/zinc/84/03/96/557840396.db2.gz PVWJGBSITOLWJU-OAQYLSRUSA-N 0 0 440.496 3.589 50 0 IHAARN CCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000869500 557840414 /nfs/dbraw/zinc/84/04/14/557840414.db2.gz QJKYEQQZAANDOQ-UHFFFAOYSA-N 0 0 448.928 3.843 50 0 IHAARN C[C@H](CO)[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000241124157 557845786 /nfs/dbraw/zinc/84/57/86/557845786.db2.gz JGAKNYFJPRJODR-DIOULYMOSA-N 0 0 425.348 3.857 50 0 IHAARN C[C@H](CO)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000241124160 557845949 /nfs/dbraw/zinc/84/59/49/557845949.db2.gz JGAKNYFJPRJODR-XFJVYGCCSA-N 0 0 425.348 3.857 50 0 IHAARN Cc1cn(C(C)C)nc1NC(=O)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000241446990 557846454 /nfs/dbraw/zinc/84/64/54/557846454.db2.gz NQGDDNZDCHOYST-UHFFFAOYSA-N 0 0 439.541 3.683 50 0 IHAARN O=C(Cn1cnc2sccc2c1=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000018706158 557855177 /nfs/dbraw/zinc/85/51/77/557855177.db2.gz KQMZBKXOLANOGN-UHFFFAOYSA-N 0 0 425.470 3.612 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000000890182 557859122 /nfs/dbraw/zinc/85/91/22/557859122.db2.gz HGMAUFUUVPJVDL-UHFFFAOYSA-N 0 0 428.514 3.629 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000018830885 557860636 /nfs/dbraw/zinc/86/06/36/557860636.db2.gz FSCXSJCMQFLQAY-UHFFFAOYSA-N 0 0 449.979 3.737 50 0 IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N23)cc1 ZINC000002094511 562925757 /nfs/dbraw/zinc/92/57/57/562925757.db2.gz UASRKLJYYNKBMR-WIOPSUGQSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498749 562928245 /nfs/dbraw/zinc/92/82/45/562928245.db2.gz DKMCTAJEFLAONK-UHFFFAOYSA-N 0 0 449.436 3.750 50 0 IHAARN COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000003035443 562931961 /nfs/dbraw/zinc/93/19/61/562931961.db2.gz SHLDUDDCVWGVPS-DEOSSOPVSA-N 0 0 436.508 3.669 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1OC ZINC000003049046 562932247 /nfs/dbraw/zinc/93/22/47/562932247.db2.gz PCGPQUQQSJRTTG-DEOSSOPVSA-N 0 0 430.504 3.760 50 0 biogenic IHAARN O=C(COC(=O)c1cc(Br)ccc1O)N1CCC(Cc2ccccc2)CC1 ZINC000003239757 562933174 /nfs/dbraw/zinc/93/31/74/562933174.db2.gz NQYBCIAGDJRFFH-UHFFFAOYSA-N 0 0 432.314 3.793 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C ZINC000003306220 562933974 /nfs/dbraw/zinc/93/39/74/562933974.db2.gz MBBJSPOZIYCHNF-JTQLQIEISA-N 0 0 428.272 3.694 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)C(C)C)c1 ZINC000003332506 562934377 /nfs/dbraw/zinc/93/43/77/562934377.db2.gz SQMFWJMPYREEDQ-NRFANRHFSA-N 0 0 449.532 3.715 50 0 IHAARN COc1cccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1OC ZINC000003338523 562934443 /nfs/dbraw/zinc/93/44/43/562934443.db2.gz SJQFUGHLSKTHRI-GNISGLHKSA-N 0 0 427.497 3.740 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000003427634 562935720 /nfs/dbraw/zinc/93/57/20/562935720.db2.gz PZJURAQRLPSVOO-UHFFFAOYSA-N 0 0 434.467 3.841 50 0 IHAARN CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003437544 562935834 /nfs/dbraw/zinc/93/58/34/562935834.db2.gz ROYRNRFSLRDBJS-UHFFFAOYSA-N 0 0 448.567 3.596 50 0 IHAARN COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1OC ZINC000003467937 562936159 /nfs/dbraw/zinc/93/61/59/562936159.db2.gz KQFYPWYACRHAHY-UHFFFAOYSA-N 0 0 446.459 3.985 50 0 IHAARN CC(C)Cn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003493849 562936274 /nfs/dbraw/zinc/93/62/74/562936274.db2.gz WGPXXVRAXNYJNV-OAHLLOKOSA-N 0 0 439.537 3.943 50 0 IHAARN CCc1nnc(NC(=O)C[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 ZINC000003626862 562936881 /nfs/dbraw/zinc/93/68/81/562936881.db2.gz DBELNUGSNLCSDJ-QGZVFWFLSA-N 0 0 444.582 3.534 50 0 IHAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1C ZINC000003643321 562937217 /nfs/dbraw/zinc/93/72/17/562937217.db2.gz UDGAKOZJVNNGPV-KRWDZBQOSA-N 0 0 448.456 3.800 50 0 IHAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c(OC)c1 ZINC000004111422 562942112 /nfs/dbraw/zinc/94/21/12/562942112.db2.gz VVKQCYLICFSQIJ-UHFFFAOYSA-N 0 0 434.496 3.872 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006467666 562946795 /nfs/dbraw/zinc/94/67/95/562946795.db2.gz QAZNHJGBVYATQW-UHFFFAOYSA-N 0 0 432.571 3.547 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)S[C@@H](C)C3)no1 ZINC000006530337 562947116 /nfs/dbraw/zinc/94/71/16/562947116.db2.gz QLBIHRUXZVEWEY-AWEZNQCLSA-N 0 0 442.566 3.550 50 0 IHAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1 ZINC000006577080 562947405 /nfs/dbraw/zinc/94/74/05/562947405.db2.gz SBFFQTUKPKGDRO-UHFFFAOYSA-N 0 0 435.524 3.502 50 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RCXIBGQGEIVURL-HFAKWTLXSA-N 0 0 444.167 3.821 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1F ZINC000001103918 568660402 /nfs/dbraw/zinc/66/04/02/568660402.db2.gz OQYJHEPSFJHXQC-UHFFFAOYSA-N 0 0 426.513 3.918 50 0 IHAARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1C[C@H]2OC(C)=O ZINC000257347973 568731077 /nfs/dbraw/zinc/73/10/77/568731077.db2.gz AEBGBTLRZFVRJG-YIHACDHPSA-N 0 0 448.556 3.613 50 0 IHAARN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@]3(O)C(=O)C[C@]12C ZINC000257348146 568731083 /nfs/dbraw/zinc/73/10/83/568731083.db2.gz BTCDWECIWQGRNF-SKAMPLLZSA-N 0 0 434.573 3.823 50 0 IHAARN CC(=O)OC[C@@]12C[C@H](OC(C)=O)C[C@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000257348738 568731114 /nfs/dbraw/zinc/73/11/14/568731114.db2.gz IHYPOAFAUZNFQR-WLSGSUDNSA-N 0 0 448.556 3.615 50 0 IHAARN CCCCNC(=O)N(O)[C@H]1N(CCc2ccc(OC)c(OC)c2)C(=S)SC1(C)C ZINC000015162301 568731864 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436.537 3.741 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=S)N1c1ccc(F)cc1 ZINC000012554420 568746271 /nfs/dbraw/zinc/74/62/71/568746271.db2.gz MWOKWTGBJOLZHI-FQEVSTJZSA-N 0 0 447.482 3.673 50 0 IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000003346634 568746766 /nfs/dbraw/zinc/74/67/66/568746766.db2.gz YDCHXRYQDKASLY-CYBMUJFWSA-N 0 0 432.502 3.550 50 0 IHAARN Cc1nc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(Cl)cc1Cl ZINC000003352079 568746914 /nfs/dbraw/zinc/74/69/14/568746914.db2.gz LVUJRTHEKOENFN-AWEZNQCLSA-N 0 0 440.308 3.682 50 0 IHAARN COC[C@@H](C)n1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O ZINC000003370458 568748107 /nfs/dbraw/zinc/74/81/07/568748107.db2.gz DOCPNWUJJOMUAG-CQSZACIVSA-N 0 0 428.510 3.596 50 0 IHAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NCCCc1ccccc1 ZINC000003417284 568748724 /nfs/dbraw/zinc/74/87/24/568748724.db2.gz DDWHTLJGXHKHGA-UHFFFAOYSA-N 0 0 446.956 3.873 50 0 IHAARN CCOc1cc(C(=O)N[C@@H](C)C(=O)Nc2nc3ccccc3[nH]2)cc(OCC)c1OCC ZINC000044168891 568749036 /nfs/dbraw/zinc/74/90/36/568749036.db2.gz NAHNMDROIQNXMX-AWEZNQCLSA-N 0 0 440.500 3.516 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1 ZINC000044169928 568749147 /nfs/dbraw/zinc/74/91/47/568749147.db2.gz PNRHYCWTYTVJKW-UHFFFAOYSA-N 0 0 428.533 3.836 50 0 IHAARN Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000044170270 568749226 /nfs/dbraw/zinc/74/92/26/568749226.db2.gz BMKKRXPVXLRNEG-UHFFFAOYSA-N 0 0 431.540 3.746 50 0 IHAARN Cc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c(C)c1 ZINC000044170266 568749246 /nfs/dbraw/zinc/74/92/46/568749246.db2.gz OZLOHEQMIMSPMK-UHFFFAOYSA-N 0 0 431.540 3.746 50 0 IHAARN CSc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccco4)c3=O)n2)cc1 ZINC000044166665 568749318 /nfs/dbraw/zinc/74/93/18/568749318.db2.gz VNDXRZHJGKAZMO-UHFFFAOYSA-N 0 0 446.488 3.625 50 0 IHAARN CC(C)Oc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 ZINC000044170476 568749424 /nfs/dbraw/zinc/74/94/24/568749424.db2.gz GCGJCVGJQDZUQC-UHFFFAOYSA-N 0 0 446.442 3.583 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000003550786 568750720 /nfs/dbraw/zinc/75/07/20/568750720.db2.gz YGHIPUVCRMVWHU-UHFFFAOYSA-N 0 0 428.539 3.883 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000003592533 568751317 /nfs/dbraw/zinc/75/13/17/568751317.db2.gz RXMPVSRYHDBZSL-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN Cc1ccc(C2=N[C@](NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1 ZINC000003624323 568751761 /nfs/dbraw/zinc/75/17/61/568751761.db2.gz AFJSZVZVYQRNJV-QGZVFWFLSA-N 0 0 430.213 3.867 50 0 IHAARN O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044443543 568752503 /nfs/dbraw/zinc/75/25/03/568752503.db2.gz QJOFVSRXSUFCBC-RMKNXTFCSA-N 0 0 443.595 3.633 50 0 IHAARN COCc1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000299761964 568755912 /nfs/dbraw/zinc/75/59/12/568755912.db2.gz CKRXIUSUDLONRP-UHFFFAOYSA-N 0 0 448.552 3.522 50 0 IHAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N(C)Cc1nccs1)C2 ZINC000299768458 568756460 /nfs/dbraw/zinc/75/64/60/568756460.db2.gz VJOIKSNKOPCQEC-ZDUSSCGKSA-N 0 0 440.550 3.564 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)[nH]1 ZINC000299781796 568757296 /nfs/dbraw/zinc/75/72/96/568757296.db2.gz FBCUNRBYMMPPAE-QFIPXVFZSA-N 0 0 449.595 3.738 50 0 IHAARN Cc1noc(C)c1CC(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C ZINC000299793150 568757713 /nfs/dbraw/zinc/75/77/13/568757713.db2.gz GJVUFLJPJZDPMK-UHFFFAOYSA-N 0 0 445.479 3.761 50 0 IHAARN O=C(NCCn1ccnc1)[C@H]1CC12CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000299795769 568757933 /nfs/dbraw/zinc/75/79/33/568757933.db2.gz NFJFPBYWGDUISC-PKTZIBPZSA-N 0 0 434.584 3.602 50 0 IHAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c1 ZINC000004017090 568758158 /nfs/dbraw/zinc/75/81/58/568758158.db2.gz XRHSGTDPQYFKBO-HXUWFJFHSA-N 0 0 428.510 3.667 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004027458 568758709 /nfs/dbraw/zinc/75/87/09/568758709.db2.gz BNPNBAWUHPQBIR-NTEVEYFYSA-N 0 0 426.509 3.649 50 0 biogenic IHAARN CC[C@@](C)(CNC(=O)c1cc(Br)c(Br)s1)N1CCOCC1 ZINC000031931148 568759826 /nfs/dbraw/zinc/75/98/26/568759826.db2.gz RNVGRCXIVFYBEM-AWEZNQCLSA-N 0 0 440.201 3.504 50 0 IHAARN Cc1c(C)[n+]([O-])c([C@H](C2CCCCC2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587086 568760201 /nfs/dbraw/zinc/76/02/01/568760201.db2.gz BYGGGGYCALORCC-HXUWFJFHSA-N 0 0 440.540 3.903 50 0 IHAARN COC(=O)C[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(Br)cc1 ZINC000015361857 568760249 /nfs/dbraw/zinc/76/02/49/568760249.db2.gz GXXDWXTZNPSJRT-INIZCTEOSA-N 0 0 426.332 3.649 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2SC)cc1 ZINC000015391125 568761523 /nfs/dbraw/zinc/76/15/23/568761523.db2.gz MBOXNQGPSQKEPU-MRXNPFEDSA-N 0 0 434.583 3.989 50 0 IHAARN CCOc1cccc(CNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1 ZINC000263617756 568777260 /nfs/dbraw/zinc/77/72/60/568777260.db2.gz PLXSSISPXZOFQE-UHFFFAOYSA-N 0 0 433.556 3.540 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4Br)c3CO2)cc1 ZINC000263618780 568777712 /nfs/dbraw/zinc/77/77/12/568777712.db2.gz VNGPAJBMDWWHDV-GOSISDBHSA-N 0 0 443.301 3.881 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)c1 ZINC000263618105 568778039 /nfs/dbraw/zinc/77/80/39/568778039.db2.gz RGNGWEIPDFMZPO-UHFFFAOYSA-N 0 0 432.476 3.877 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000015474616 568785019 /nfs/dbraw/zinc/78/50/19/568785019.db2.gz GAENIZUYUYZXMA-IBGZPJMESA-N 0 0 440.569 3.729 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401330 568786240 /nfs/dbraw/zinc/78/62/40/568786240.db2.gz RFQTWTQIGZPKJJ-MRXNPFEDSA-N 0 0 445.285 3.519 50 0 IHAARN O=C(NCc1cccnc1)c1cc(S(=O)(=O)NC2CCCC2)c(Cl)cc1Cl ZINC000016621937 568786490 /nfs/dbraw/zinc/78/64/90/568786490.db2.gz PQMCAYSODDQJDC-UHFFFAOYSA-N 0 0 428.341 3.539 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(c4ccccc4S(C)(=O)=O)CC3)cs2)cc1 ZINC000083952321 568786665 /nfs/dbraw/zinc/78/66/65/568786665.db2.gz BZUXAGDXWVAQDM-UHFFFAOYSA-N 0 0 443.594 3.544 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc21 ZINC000032204276 568787161 /nfs/dbraw/zinc/78/71/61/568787161.db2.gz CUEJOGGBNJAUFQ-UHFFFAOYSA-N 0 0 449.532 3.673 50 0 IHAARN CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 ZINC000019184954 568788696 /nfs/dbraw/zinc/78/86/96/568788696.db2.gz OBBHORSEDFBGKJ-UHFFFAOYSA-N 0 0 436.562 3.652 50 0 IHAARN Cn1ncc2c3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](c4cccs4)N5)nn3cnc21 ZINC000002802454 568789573 /nfs/dbraw/zinc/78/95/73/568789573.db2.gz YUUSYKXMQBOZFY-GXFFZTMASA-N 0 0 445.434 3.596 50 0 IHAARN Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1N1CCOCC1 ZINC000084027136 568789860 /nfs/dbraw/zinc/78/98/60/568789860.db2.gz JLKYPRSQUAXORS-UHFFFAOYSA-N 0 0 442.357 3.865 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1ccc(Br)cc1Cl ZINC000025902789 568791001 /nfs/dbraw/zinc/79/10/01/568791001.db2.gz XWCFCSUOQYTMJK-UHFFFAOYSA-N 0 0 428.689 3.751 50 0 IHAARN CCc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)cccc3F)n2)cc1NC(C)=O ZINC000016649248 568791057 /nfs/dbraw/zinc/79/10/57/568791057.db2.gz MOCATZGXUBOVST-ZDUSSCGKSA-N 0 0 440.450 3.909 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019198272 568791861 /nfs/dbraw/zinc/79/18/61/568791861.db2.gz BXCAABNJODSQFB-UHFFFAOYSA-N 0 0 433.580 3.837 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 ZINC000016731412 568792474 /nfs/dbraw/zinc/79/24/74/568792474.db2.gz IGENQOOPMAJFBC-PCXKXAPESA-N 0 0 431.517 3.969 50 0 IHAARN COc1ccc([C@@H]2OC(=O)N(Cc3ccc4c(c3)OCO4)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001427009 568793961 /nfs/dbraw/zinc/79/39/61/568793961.db2.gz HMJFZFRRRYKMCS-ZCYQVOJMSA-N 0 0 449.459 3.971 50 0 IHAARN COc1cc(C)ccc1OCC(=O)Nc1cc(Br)cnc1Br ZINC000084146208 568794705 /nfs/dbraw/zinc/79/47/05/568794705.db2.gz KXTKFNPESFEQDO-UHFFFAOYSA-N 0 0 430.096 3.941 50 0 IHAARN Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(Br)s3)CCC2)cc1 ZINC000084157361 568795352 /nfs/dbraw/zinc/79/53/52/568795352.db2.gz JRBICAGRECAUPJ-UHFFFAOYSA-N 0 0 428.373 3.832 50 0 IHAARN Cc1cc(Oc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)s3)cc2)n[nH]1 ZINC000084205604 568796046 /nfs/dbraw/zinc/79/60/46/568796046.db2.gz XNWRRJRZBDPBCJ-QGZVFWFLSA-N 0 0 446.554 3.672 50 0 IHAARN Cc1cccc(C)c1OC1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000084225266 568796250 /nfs/dbraw/zinc/79/62/50/568796250.db2.gz OLSVVRIFJUOOTE-UHFFFAOYSA-N 0 0 437.584 3.618 50 0 IHAARN O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(Cl)cc1 ZINC000015523894 568796597 /nfs/dbraw/zinc/79/65/97/568796597.db2.gz LLDLLGFDRUJXQW-UHFFFAOYSA-N 0 0 426.870 3.582 50 0 IHAARN Cc1csc([C@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 ZINC000084268109 568796638 /nfs/dbraw/zinc/79/66/38/568796638.db2.gz CDNCBYVBOXVLNC-WMLDXEAASA-N 0 0 434.867 3.845 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015611379 568799489 /nfs/dbraw/zinc/79/94/89/568799489.db2.gz UNCDWHSCBBLISA-AWEZNQCLSA-N 0 0 444.981 3.990 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cc(Cl)c3cccc(Br)c3n2)CC1 ZINC000078869705 568800354 /nfs/dbraw/zinc/80/03/54/568800354.db2.gz UUYVPZTXONRZKX-UHFFFAOYSA-N 0 0 426.698 3.565 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000015669049 568801769 /nfs/dbraw/zinc/80/17/69/568801769.db2.gz SPJZQXYTVBLPPU-NRFANRHFSA-N 0 0 425.510 3.981 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(C)c3)n2)cc1 ZINC000015670170 568802155 /nfs/dbraw/zinc/80/21/55/568802155.db2.gz UDUHSIPYSFCVTI-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3C)n2)cc1 ZINC000015670168 568802177 /nfs/dbraw/zinc/80/21/77/568802177.db2.gz FPCLMWRRMFPTCK-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)c(OC)c1 ZINC000015671809 568802775 /nfs/dbraw/zinc/80/27/75/568802775.db2.gz PBGYZLGZMHYOSU-UHFFFAOYSA-N 0 0 441.557 3.656 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678105 568804584 /nfs/dbraw/zinc/80/45/84/568804584.db2.gz WFPMSYOYBRHFGI-RUZDIDTESA-N 0 0 440.588 3.907 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N3CCS[C@@H](c4ccccc4F)CC3)cc3c2N1CC3 ZINC000219166049 568811344 /nfs/dbraw/zinc/81/13/44/568811344.db2.gz REHYUJBSAJWQHU-HXUWFJFHSA-N 0 0 446.569 3.530 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1F ZINC000015722602 568812092 /nfs/dbraw/zinc/81/20/92/568812092.db2.gz DZDJGTIOCLYPRP-UHFFFAOYSA-N 0 0 443.544 3.662 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NC3CCCCC3)c2)CC1 ZINC000015722443 568812103 /nfs/dbraw/zinc/81/21/03/568812103.db2.gz DCBGTFFFAHLDGJ-UHFFFAOYSA-N 0 0 431.602 3.901 50 0 IHAARN CNC(=O)c1cc(S(=O)(=O)c2ccc3[nH]c(Nc4ccc(Cl)cc4)nc3c2)ccn1 ZINC000085393800 568817004 /nfs/dbraw/zinc/81/70/04/568817004.db2.gz VDZLVFNVNKPAQQ-UHFFFAOYSA-N 0 0 441.900 3.547 50 0 IHAARN CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OC(=O)c1ccccc1 ZINC000001467269 568820449 /nfs/dbraw/zinc/82/04/49/568820449.db2.gz IJHCNRSFGPOSKC-HXUWFJFHSA-N 0 0 440.521 3.613 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4)c3)cc2=O)s1 ZINC000015771510 568822542 /nfs/dbraw/zinc/82/25/42/568822542.db2.gz OKOCJKDNXFFTHC-UHFFFAOYSA-N 0 0 448.504 3.884 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000015771727 568822591 /nfs/dbraw/zinc/82/25/91/568822591.db2.gz DNVZPIZQISNEQE-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN CC(C)Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2=O)s1 ZINC000015771779 568822707 /nfs/dbraw/zinc/82/27/07/568822707.db2.gz NEAUTELORKCIQD-UHFFFAOYSA-N 0 0 442.541 3.691 50 0 IHAARN COc1ccc(C2=NCC(=O)N(CC(=O)Nc3cc(F)ccc3F)c3sccc32)cc1 ZINC000015775434 568823650 /nfs/dbraw/zinc/82/36/50/568823650.db2.gz QRYBHRFVUXTQMC-UHFFFAOYSA-N 0 0 441.459 3.858 50 0 IHAARN CCOc1cccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000015779721 568825076 /nfs/dbraw/zinc/82/50/76/568825076.db2.gz OWPJZMIQTJXHGN-UHFFFAOYSA-N 0 0 447.558 3.899 50 0 IHAARN CCOc1ccc(CC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781139 568825773 /nfs/dbraw/zinc/82/57/73/568825773.db2.gz HHVMJCALFNLRNY-JOCHJYFZSA-N 0 0 443.521 3.561 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000015781397 568825815 /nfs/dbraw/zinc/82/58/15/568825815.db2.gz AZJUBPANIMXXKL-UHFFFAOYSA-N 0 0 436.599 3.905 50 0 IHAARN COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O ZINC000085601904 568827202 /nfs/dbraw/zinc/82/72/02/568827202.db2.gz YPSHEKVKKOPNGI-UHFFFAOYSA-N 0 0 444.422 3.603 50 0 IHAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)cc1 ZINC000085601816 568827275 /nfs/dbraw/zinc/82/72/75/568827275.db2.gz OSJCLCUMCSYKOZ-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)ccc21 ZINC000015784353 568827440 /nfs/dbraw/zinc/82/74/40/568827440.db2.gz IMGGZLTVSVKKQL-SFHVURJKSA-N 0 0 445.972 3.549 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)ccc21 ZINC000015784440 568827476 /nfs/dbraw/zinc/82/74/76/568827476.db2.gz QEKRHBWMBVSATH-HXUWFJFHSA-N 0 0 429.586 3.586 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1Cl ZINC000085641934 568829082 /nfs/dbraw/zinc/82/90/82/568829082.db2.gz XJQBGGGHNXUBGT-UHFFFAOYSA-N 0 0 433.917 3.774 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)NC[C@@H]2CCCO2)c1C ZINC000085712088 568835422 /nfs/dbraw/zinc/83/54/22/568835422.db2.gz VCKLPQIGYRFNIV-FQEVSTJZSA-N 0 0 443.544 3.708 50 0 IHAARN COc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(OC)c2)c1 ZINC000001511801 568837786 /nfs/dbraw/zinc/83/77/86/568837786.db2.gz MJTUOTYYZKPBPD-UHFFFAOYSA-N 0 0 430.460 3.647 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCCC1 ZINC000015788320 568838132 /nfs/dbraw/zinc/83/81/32/568838132.db2.gz SDWUUDDYZINODL-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)ccc1OCC(C)C ZINC000085878643 568838454 /nfs/dbraw/zinc/83/84/54/568838454.db2.gz NHEPUHGXNPWFPY-UHFFFAOYSA-N 0 0 442.464 3.845 50 0 biogenic IHAARN CCn1c(SCC(=O)N[C@H]2COc3ccc(OC)cc32)nnc1[C@@H](C)c1ccccc1 ZINC000045068217 568843130 /nfs/dbraw/zinc/84/31/30/568843130.db2.gz HGPVBPJQZNUMAN-KXBFYZLASA-N 0 0 438.553 3.800 50 0 IHAARN O=C([O-])COCCN1CC[NH+](CCCCOc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC000045068914 568843396 /nfs/dbraw/zinc/84/33/96/568843396.db2.gz GYQAHJOHIGXPHL-UHFFFAOYSA-N 0 0 448.510 3.510 50 0 IHAARN COc1ccc(CO[C@H]2[C@H]3OC(C)(C)O[C@@H]3[C@@H](COCc3ccccc3)O[C@H]2OC)cc1 ZINC000101083785 568843686 /nfs/dbraw/zinc/84/36/86/568843686.db2.gz BAIZHVCQJXUTMV-URYYLNOGSA-N 0 0 444.524 3.689 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 ZINC000253590078 568843958 /nfs/dbraw/zinc/84/39/58/568843958.db2.gz CBDNGZBGXXDVRS-QSGNWFJVSA-N 0 0 435.483 3.838 50 0 IHAARN Cc1cccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)c1 ZINC000006142363 568845370 /nfs/dbraw/zinc/84/53/70/568845370.db2.gz KGRXKQPYJIBNJG-XZOQPEGZSA-N 0 0 449.528 3.664 50 0 IHAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)c(Cl)c2)C1=O ZINC000015858463 568846611 /nfs/dbraw/zinc/84/66/11/568846611.db2.gz YRLGYSJXHNFPTQ-CQSZACIVSA-N 0 0 447.944 3.505 50 0 IHAARN CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858461 568846617 /nfs/dbraw/zinc/84/66/17/568846617.db2.gz DMMCQHCPMAOGKD-AWEZNQCLSA-N 0 0 449.960 3.751 50 0 IHAARN O=C(CCSc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000026107649 568846924 /nfs/dbraw/zinc/84/69/24/568846924.db2.gz PMOHHNPIWMJXPY-UHFFFAOYSA-N 0 0 445.031 3.853 50 0 IHAARN COc1ccc(-n2ccn(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2=O)cc1 ZINC000015862439 568848911 /nfs/dbraw/zinc/84/89/11/568848911.db2.gz WWTCJPXYHZUZKF-UHFFFAOYSA-N 0 0 425.794 3.959 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(F)c1 ZINC000015862754 568849106 /nfs/dbraw/zinc/84/91/06/568849106.db2.gz WNVIULWMCIVYFB-UHFFFAOYSA-N 0 0 427.501 3.529 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)COc2cccc(C)c2)c1C ZINC000015865660 568850520 /nfs/dbraw/zinc/85/05/20/568850520.db2.gz IVEOHQRJMHINCY-FQEVSTJZSA-N 0 0 428.529 3.703 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)c2cc(OC)cc(OC)c2)c1C ZINC000015865632 568850544 /nfs/dbraw/zinc/85/05/44/568850544.db2.gz FWUDODALPGRBOL-SFHVURJKSA-N 0 0 444.528 3.647 50 0 IHAARN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 ZINC000015868442 568851451 /nfs/dbraw/zinc/85/14/51/568851451.db2.gz SFZOOUJLPYCNIE-UHFFFAOYSA-N 0 0 431.492 3.839 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880250 568854265 /nfs/dbraw/zinc/85/42/65/568854265.db2.gz XXPJCGAPRGGMEP-UHFFFAOYSA-N 0 0 441.578 3.747 50 0 IHAARN COc1ccc(CCNC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1OC ZINC000015880550 568854962 /nfs/dbraw/zinc/85/49/62/568854962.db2.gz VYJDFFZXIIPZDE-UHFFFAOYSA-N 0 0 440.525 3.706 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)CC2=O)cc1OC ZINC000015881872 568855753 /nfs/dbraw/zinc/85/57/53/568855753.db2.gz VRAXNRLRTXMCHU-OAQYLSRUSA-N 0 0 430.504 3.835 50 0 IHAARN Cc1ccc(-c2ccc3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)n3n2)cc1 ZINC000015881698 568855897 /nfs/dbraw/zinc/85/58/97/568855897.db2.gz GTMCRJCWZMXAAR-UHFFFAOYSA-N 0 0 444.564 3.541 50 0 IHAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882368 568856586 /nfs/dbraw/zinc/85/65/86/568856586.db2.gz WEVZNPBUPUOCSG-UHFFFAOYSA-N 0 0 428.290 3.538 50 0 IHAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)NCCc3ccccc3)s2)cc1 ZINC000015882651 568857200 /nfs/dbraw/zinc/85/72/00/568857200.db2.gz HZXZPUSJKYCNIL-UHFFFAOYSA-N 0 0 427.555 3.942 50 0 IHAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 ZINC000015882693 568857247 /nfs/dbraw/zinc/85/72/47/568857247.db2.gz QYBBPCMSEUBCEO-UHFFFAOYSA-N 0 0 429.527 3.599 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000015997087 568862104 /nfs/dbraw/zinc/86/21/04/568862104.db2.gz SHOXEDHKNJWZKC-SECBINFHSA-N 0 0 436.317 3.936 50 0 IHAARN Cc1noc(C)c1C(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000016021002 568863754 /nfs/dbraw/zinc/86/37/54/568863754.db2.gz WVCGNTLKCNWQLY-UHFFFAOYSA-N 0 0 445.479 3.594 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1F ZINC000012940001 568868370 /nfs/dbraw/zinc/86/83/70/568868370.db2.gz LXKDTXXNMIPXNI-SFHVURJKSA-N 0 0 447.580 3.872 50 0 IHAARN NC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047072 568868774 /nfs/dbraw/zinc/86/87/74/568868774.db2.gz OWILTCXTEWYWNM-GHTZIAJQSA-N 0 0 431.330 3.897 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc(OC)cc1OC ZINC000000994503 568871418 /nfs/dbraw/zinc/87/14/18/568871418.db2.gz DWCPKOVERUHIIC-UHFFFAOYSA-N 0 0 448.541 3.985 50 0 IHAARN O=C(Nc1ccccc1F)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012948270 568871622 /nfs/dbraw/zinc/87/16/22/568871622.db2.gz ALYDVEPDPCMTBM-VWLOTQADSA-N 0 0 429.451 3.944 50 0 IHAARN CCOc1ccc2ccccc2c1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C ZINC000575611374 568878959 /nfs/dbraw/zinc/87/89/59/568878959.db2.gz FHIIEZXHTDOEKM-UHFFFAOYSA-N 0 0 429.473 3.761 50 0 IHAARN Cc1cc2c(cc1NC(=O)c1ccccc1C(=O)c1ccccc1)N(C)S(=O)(=O)N2C ZINC000575613578 568879818 /nfs/dbraw/zinc/87/98/18/568879818.db2.gz UCVQHTLUSSCVMR-UHFFFAOYSA-N 0 0 435.505 3.609 50 0 IHAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615925 568881489 /nfs/dbraw/zinc/88/14/89/568881489.db2.gz HAUDETYCASSHSX-HXUWFJFHSA-N 0 0 447.919 3.871 50 0 IHAARN O=C(/C=C/c1ccc2ccccc2n1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000009670845 568884139 /nfs/dbraw/zinc/88/41/39/568884139.db2.gz FRFSTDMGZXDTCP-CSKARUKUSA-N 0 0 436.265 3.762 50 0 IHAARN COc1ccccc1OCc1cccc(C(=O)Nn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000102445116 568884992 /nfs/dbraw/zinc/88/49/92/568884992.db2.gz SAZUBFAHIZWEAC-UHFFFAOYSA-N 0 0 433.489 3.657 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000229540955 568886818 /nfs/dbraw/zinc/88/68/18/568886818.db2.gz WVEXKPRXFSSYRA-BXTJHSDWSA-N 0 0 425.485 3.686 50 0 IHAARN O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)c1ccoc1 ZINC000090582667 568888225 /nfs/dbraw/zinc/88/82/25/568888225.db2.gz PSLLXWIMIQPUJG-UHFFFAOYSA-N 0 0 437.521 3.622 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 ZINC000207001435 568889367 /nfs/dbraw/zinc/88/93/67/568889367.db2.gz FEZKAMYBIVMREK-SFHVURJKSA-N 0 0 425.959 3.996 50 0 IHAARN Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)ncn2)c1 ZINC000090607904 568890361 /nfs/dbraw/zinc/89/03/61/568890361.db2.gz LEQXINLIJAGKBA-UHFFFAOYSA-N 0 0 426.883 3.679 50 0 IHAARN Cc1cc(C)n(-c2nc(CCNC(=O)COc3ccc(Cl)cc3Cl)cs2)n1 ZINC000090609317 568891162 /nfs/dbraw/zinc/89/11/62/568891162.db2.gz NRAGLWFMKWDKLL-UHFFFAOYSA-N 0 0 425.341 3.990 50 0 IHAARN Cc1ccc(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 ZINC000012979143 568891841 /nfs/dbraw/zinc/89/18/41/568891841.db2.gz OPXMWMOYGWRWBD-HNNXBMFYSA-N 0 0 429.318 3.937 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000013102872 568892999 /nfs/dbraw/zinc/89/29/99/568892999.db2.gz DTDQMXJCPCBDIX-RGEXLXHISA-N 0 0 440.419 3.725 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cc(C)ccc1C ZINC000006346843 568893171 /nfs/dbraw/zinc/89/31/71/568893171.db2.gz GZDOHFQYUMUVMD-UHFFFAOYSA-N 0 0 445.610 3.986 50 0 IHAARN COC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c(C)c1 ZINC000029702210 568895644 /nfs/dbraw/zinc/89/56/44/568895644.db2.gz RFLNVHHPQXIQSI-ZHZULCJRSA-N 0 0 429.436 3.665 50 0 IHAARN O=C(/C=C/c1cccs1)N1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000032933099 568895971 /nfs/dbraw/zinc/89/59/71/568895971.db2.gz URLPEWSNUKMFMG-ZHACJKMWSA-N 0 0 432.549 3.809 50 0 IHAARN CCOCCCN1C(=O)C(=Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)NC1=S ZINC000039982756 568896248 /nfs/dbraw/zinc/89/62/48/568896248.db2.gz GLKNYYXLAOGSDU-HKWRFOASSA-N 0 0 439.537 3.843 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(SC(F)F)cc1 ZINC000012996731 568896898 /nfs/dbraw/zinc/89/68/98/568896898.db2.gz QIGQVDXXYNCARG-UHFFFAOYSA-N 0 0 429.466 3.575 50 0 IHAARN Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012993416 568896906 /nfs/dbraw/zinc/89/69/06/568896906.db2.gz VIZHRFUQZSFGIO-SFHVURJKSA-N 0 0 429.369 3.654 50 0 IHAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012999079 568897989 /nfs/dbraw/zinc/89/79/89/568897989.db2.gz AHOKTZMVVQSGJP-MRXNPFEDSA-N 0 0 443.594 3.841 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2Cc2ccccc2)C1=O ZINC000013002816 568898590 /nfs/dbraw/zinc/89/85/90/568898590.db2.gz HQOGIRVKJUSQPN-SANMLTNESA-N 0 0 443.503 3.545 50 0 IHAARN CCOC(=O)c1sc2nc(C)n(CC(=O)N[C@@H](C)c3cccc(Cl)c3)c(=O)c2c1C ZINC000013009658 568899896 /nfs/dbraw/zinc/89/98/96/568899896.db2.gz SDTGUJQFVGFDAX-LBPRGKRZSA-N 0 0 447.944 3.782 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NN=NC2=N1 ZINC000001789513 568907808 /nfs/dbraw/zinc/90/78/08/568907808.db2.gz ZIHQDLLICKXLPZ-QGZVFWFLSA-N 0 0 431.283 3.930 50 0 IHAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 ZINC000001806312 568908680 /nfs/dbraw/zinc/90/86/80/568908680.db2.gz ANKKEVDIFJXPEJ-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN CC[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000390832740 568909425 /nfs/dbraw/zinc/90/94/25/568909425.db2.gz VLYRJXLHVQQJKA-GOTSBHOMSA-N 0 0 430.504 3.796 50 0 IHAARN CCOc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F ZINC000089272051 568909974 /nfs/dbraw/zinc/90/99/74/568909974.db2.gz ACKYJGCAWYVKLG-UHFFFAOYSA-N 0 0 432.473 3.647 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238881530 568910034 /nfs/dbraw/zinc/91/00/34/568910034.db2.gz APARKEVXSWZVIP-YPAWHYETSA-N 0 0 446.434 3.663 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238901058 568910181 /nfs/dbraw/zinc/91/01/81/568910181.db2.gz KRTFUMFAYMRUBY-YPAWHYETSA-N 0 0 446.459 3.816 50 0 IHAARN CCCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)c1 ZINC000238900487 568910266 /nfs/dbraw/zinc/91/02/66/568910266.db2.gz IVOIDBVVNSDLPP-LVCYWYKZSA-N 0 0 436.430 3.888 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H]([C@H]3CC(C)=C4C(=O)N(c5ccc(C)cc5)C(=O)[C@H]4C3)C2=O)cc1 ZINC000239287330 568910923 /nfs/dbraw/zinc/91/09/23/568910923.db2.gz CPQIYYIWZOCUGT-CKLTXHEASA-N 0 0 442.515 3.955 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000239309397 568911041 /nfs/dbraw/zinc/91/10/41/568911041.db2.gz HOHBDUQEQNDIOL-LNZPYGSCSA-N 0 0 429.561 3.935 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)nc1 ZINC000241401140 568912044 /nfs/dbraw/zinc/91/20/44/568912044.db2.gz NBLHQWKARXZZIG-IRLDBZIGSA-N 0 0 441.528 3.748 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1 ZINC000241401141 568912147 /nfs/dbraw/zinc/91/21/47/568912147.db2.gz NBLHQWKARXZZIG-UNMCSNQZSA-N 0 0 441.528 3.748 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245257204 568914094 /nfs/dbraw/zinc/91/40/94/568914094.db2.gz WZBOSIJWIIQYLD-MLNNCEHLSA-N 0 0 449.938 3.964 50 0 IHAARN CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1 ZINC000089286854 568918421 /nfs/dbraw/zinc/91/84/21/568918421.db2.gz SQNYCUIEYRSNRS-UHFFFAOYSA-N 0 0 446.956 3.515 50 0 IHAARN COc1ccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1OC(F)F ZINC000089340161 568920980 /nfs/dbraw/zinc/92/09/80/568920980.db2.gz WEZSGJFPUATIMA-HNNXBMFYSA-N 0 0 441.500 3.895 50 0 IHAARN O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCCC1 ZINC000001953560 568923835 /nfs/dbraw/zinc/92/38/35/568923835.db2.gz CSUDPGAKLQXVRF-UHFFFAOYSA-N 0 0 437.927 3.787 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000001984901 568924118 /nfs/dbraw/zinc/92/41/18/568924118.db2.gz HNVPZTLEISLBMC-UHFFFAOYSA-N 0 0 428.444 3.587 50 0 IHAARN CN1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000026938388 568927589 /nfs/dbraw/zinc/92/75/89/568927589.db2.gz FJJKYRYDZXRSGV-XMMPIXPASA-N 0 0 439.515 3.612 50 0 IHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCCCC1 ZINC000064438477 568928308 /nfs/dbraw/zinc/92/83/08/568928308.db2.gz WOOVAKUUFDFQRK-UHFFFAOYSA-N 0 0 433.552 3.831 50 0 IHAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O ZINC000064438444 568928326 /nfs/dbraw/zinc/92/83/26/568928326.db2.gz YLYQNWMEIGJOHJ-UHFFFAOYSA-N 0 0 439.531 3.683 50 0 IHAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000064439163 568928412 /nfs/dbraw/zinc/92/84/12/568928412.db2.gz LYMGOVHQBZNLLA-UHFFFAOYSA-N 0 0 449.536 3.804 50 0 IHAARN CNC(=O)N1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC3CCCC3)s2)CC1 ZINC000064450997 568929042 /nfs/dbraw/zinc/92/90/42/568929042.db2.gz PUGFMJPRLAJABQ-UHFFFAOYSA-N 0 0 439.589 3.582 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)cc1C ZINC000064566715 568933530 /nfs/dbraw/zinc/93/35/30/568933530.db2.gz JASSSOPSXZQCCI-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000064592979 568935615 /nfs/dbraw/zinc/93/56/15/568935615.db2.gz DNZVHZBOSCVOOE-UHFFFAOYSA-N 0 0 437.500 3.874 50 0 IHAARN COc1cccc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)c1 ZINC000064593639 568936092 /nfs/dbraw/zinc/93/60/92/568936092.db2.gz RBOQPGPWEIHHML-UHFFFAOYSA-N 0 0 434.521 3.789 50 0 IHAARN CC[C@@H](Sc1nnc2c(=O)n(-c3cccc(OC)c3)ccn12)C(=O)Nc1ccccc1C ZINC000064593722 568936102 /nfs/dbraw/zinc/93/61/02/568936102.db2.gz VIXNPGLLJAWISR-LJQANCHMSA-N 0 0 449.536 3.707 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C)cc4C)nnc3c2=O)cc1 ZINC000064593938 568936139 /nfs/dbraw/zinc/93/61/39/568936139.db2.gz BAYWAGOTMZBYAT-UHFFFAOYSA-N 0 0 449.536 3.627 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C3 ZINC000030903980 568937450 /nfs/dbraw/zinc/93/74/50/568937450.db2.gz GISSEHZAJRJWSY-FQEVSTJZSA-N 0 0 443.425 3.886 50 0 biogenic IHAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c(Cl)cc1O2 ZINC000064604720 568938897 /nfs/dbraw/zinc/93/88/97/568938897.db2.gz ZZXUACKFTXPPJL-CHWSQXEVSA-N 0 0 436.917 3.804 50 0 IHAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1C(=O)N2 ZINC000064604748 568938905 /nfs/dbraw/zinc/93/89/05/568938905.db2.gz HBIVHPZUVAMSSU-BETUJISGSA-N 0 0 436.917 3.804 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(C)C ZINC000006624296 568941975 /nfs/dbraw/zinc/94/19/75/568941975.db2.gz OKDCAXLMEZADEK-FCHUYYIVSA-N 0 0 426.513 3.559 50 0 biogenic IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)NC(C)C)cc1 ZINC000036043194 568944132 /nfs/dbraw/zinc/94/41/32/568944132.db2.gz CGOUDRDYLGOCMP-XDHUDOTRSA-N 0 0 441.572 3.908 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083899 568947620 /nfs/dbraw/zinc/94/76/20/568947620.db2.gz KXGPXNRJKLQCRZ-HXUWFJFHSA-N 0 0 430.888 3.941 50 0 IHAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064759213 568951821 /nfs/dbraw/zinc/95/18/21/568951821.db2.gz JGUUSEXYMGSMFQ-UHFFFAOYSA-N 0 0 445.479 3.617 50 0 IHAARN COc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCc3ccccc3C2)c1 ZINC000064759158 568951841 /nfs/dbraw/zinc/95/18/41/568951841.db2.gz LDELREFKVPBTJZ-UHFFFAOYSA-N 0 0 427.508 3.792 50 0 IHAARN CCN1c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2-c2ccccc2S1(=O)=O ZINC000064762079 568952707 /nfs/dbraw/zinc/95/27/07/568952707.db2.gz GXACSOUGHMKSCC-UHFFFAOYSA-N 0 0 436.489 3.921 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccccc4F)sc3C2)cc1 ZINC000064769035 568953204 /nfs/dbraw/zinc/95/32/04/568953204.db2.gz GHOZTUNCRQOPAO-UHFFFAOYSA-N 0 0 431.514 3.590 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccccc4C)sc3C2)cc1 ZINC000064769050 568953268 /nfs/dbraw/zinc/95/32/68/568953268.db2.gz XQUCEKFIEYBVQB-UHFFFAOYSA-N 0 0 427.551 3.759 50 0 IHAARN Cc1cn2c(nc(COc3ccc(NC(=O)COc4ccc(C)cc4)cc3)cc2=O)s1 ZINC000064775698 568954713 /nfs/dbraw/zinc/95/47/13/568954713.db2.gz KYMSJXRVTJKHPK-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(C)=O ZINC000036117253 568955607 /nfs/dbraw/zinc/95/56/07/568955607.db2.gz PEGUGANQHMPOCH-IIBYNOLFSA-N 0 0 430.570 3.909 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)COC ZINC000036120431 568957473 /nfs/dbraw/zinc/95/74/73/568957473.db2.gz LSIBWRLBGAJISL-VQIMIIECSA-N 0 0 448.560 3.666 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)COC ZINC000036120430 568957563 /nfs/dbraw/zinc/95/75/63/568957563.db2.gz LSIBWRLBGAJISL-LPHOPBHVSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1 ZINC000036122837 568958388 /nfs/dbraw/zinc/95/83/88/568958388.db2.gz KVZYMRURINCNAZ-HXUWFJFHSA-N 0 0 427.570 3.755 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036123230 568958515 /nfs/dbraw/zinc/95/85/15/568958515.db2.gz FSODFMKEOYCCEU-FQEVSTJZSA-N 0 0 445.560 3.974 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)NCc1ccc(F)cc1 ZINC000064792549 568959345 /nfs/dbraw/zinc/95/93/45/568959345.db2.gz BZKGJIYXBNDTHD-HSZRJFAPSA-N 0 0 440.482 3.579 50 0 IHAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NCc2ccccc2)n1C1CC1 ZINC000064794073 568959873 /nfs/dbraw/zinc/95/98/73/568959873.db2.gz JGYWUTKNDMFMCB-UHFFFAOYSA-N 0 0 436.566 3.880 50 0 IHAARN CCOc1ccc(-c2nc(CNS(=O)(=O)c3ccc(OC)c(OC)c3)c(C)o2)cc1 ZINC000064817865 568964862 /nfs/dbraw/zinc/96/48/62/568964862.db2.gz PIGHWQAIXXYGBU-UHFFFAOYSA-N 0 0 432.498 3.544 50 0 IHAARN CC(C)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccccc1 ZINC000036158786 568966924 /nfs/dbraw/zinc/96/69/24/568966924.db2.gz JEYCDCIAHSJGFB-GOSISDBHSA-N 0 0 441.597 3.509 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)N(C)CCc1noc(-c2ccc(C)cc2)n1)c1ccccc1 ZINC000064839885 568969633 /nfs/dbraw/zinc/96/96/33/568969633.db2.gz FJJSWUBJCHRVRU-FQEVSTJZSA-N 0 0 436.512 3.923 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(NCc4cc(OC)c(OC)c(OC)c4)nn3)n2)cc1 ZINC000064838062 568970065 /nfs/dbraw/zinc/97/00/65/568970065.db2.gz CUDHKSDHNUJBDQ-UHFFFAOYSA-N 0 0 449.467 3.840 50 0 IHAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(Br)s3)no2)c1 ZINC000064841458 568970259 /nfs/dbraw/zinc/97/02/59/568970259.db2.gz FDQJZPKTPLPRKG-UHFFFAOYSA-N 0 0 442.360 3.732 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1 ZINC000064838635 568970364 /nfs/dbraw/zinc/97/03/64/568970364.db2.gz ZEJPSWHKNFFYJI-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)c1 ZINC000064847323 568971192 /nfs/dbraw/zinc/97/11/92/568971192.db2.gz QZLMZPMGQSSIRO-UHFFFAOYSA-N 0 0 427.476 3.563 50 0 IHAARN CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036206520 568973177 /nfs/dbraw/zinc/97/31/77/568973177.db2.gz HFLPQRZPKPFWJN-KRWDZBQOSA-N 0 0 429.586 3.876 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)NCC(C)C)CC2)c1 ZINC000036208613 568973587 /nfs/dbraw/zinc/97/35/87/568973587.db2.gz AHVPMKNEHWNOOK-DEOSSOPVSA-N 0 0 449.595 3.726 50 0 IHAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209885 568974257 /nfs/dbraw/zinc/97/42/57/568974257.db2.gz RUHFNUOGEUMMAG-OAQYLSRUSA-N 0 0 448.007 3.639 50 0 IHAARN CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 ZINC000064865971 568974260 /nfs/dbraw/zinc/97/42/60/568974260.db2.gz MXIQZFRJTBUFJP-UHFFFAOYSA-N 0 0 426.494 3.964 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210078 568974462 /nfs/dbraw/zinc/97/44/62/568974462.db2.gz NEWBLFGFZCWSFU-IIBYNOLFSA-N 0 0 448.007 3.782 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1F ZINC000064866426 568974533 /nfs/dbraw/zinc/97/45/33/568974533.db2.gz SDSVQGWGWLOYMB-UHFFFAOYSA-N 0 0 436.436 3.739 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000064866665 568974639 /nfs/dbraw/zinc/97/46/39/568974639.db2.gz SRIOSLFVBCOCNO-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1 ZINC000064866791 568974793 /nfs/dbraw/zinc/97/47/93/568974793.db2.gz FAUFTFYWKAQYNW-UHFFFAOYSA-N 0 0 432.473 3.909 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210792 568975204 /nfs/dbraw/zinc/97/52/04/568975204.db2.gz QVAUWRPWUXQPKW-RDPSFJRHSA-N 0 0 449.595 3.807 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210676 568975216 /nfs/dbraw/zinc/97/52/16/568975216.db2.gz KPIMMHUDFHEGBM-YKSBVNFPSA-N 0 0 449.595 3.869 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)c2ccccc2N1 ZINC000064869302 568975617 /nfs/dbraw/zinc/97/56/17/568975617.db2.gz RSMNHEQJSMXWIX-UHFFFAOYSA-N 0 0 443.887 3.583 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(C)c(Cl)cc2OC)c2ccccc2N1 ZINC000064869205 568975725 /nfs/dbraw/zinc/97/57/25/568975725.db2.gz UWBSBVKPNKPJAB-UHFFFAOYSA-N 0 0 443.887 3.501 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211991 568975834 /nfs/dbraw/zinc/97/58/34/568975834.db2.gz XZFFOWKQTAEAEZ-GCJKJVERSA-N 0 0 429.605 3.683 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036212591 568976494 /nfs/dbraw/zinc/97/64/94/568976494.db2.gz KZCNDLCWNMOJIQ-NBGIEHNGSA-N 0 0 449.595 3.571 50 0 IHAARN COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(OC)cc2)cc1 ZINC000064872129 568977785 /nfs/dbraw/zinc/97/77/85/568977785.db2.gz NZKFBYZEZSJWMK-UHFFFAOYSA-N 0 0 432.523 3.843 50 0 IHAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000006766295 568978856 /nfs/dbraw/zinc/97/88/56/568978856.db2.gz LBDJTYRQWMRNLB-FQEVSTJZSA-N 0 0 426.586 3.840 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000036250465 568983736 /nfs/dbraw/zinc/98/37/36/568983736.db2.gz UKRHFGVUUABHIK-QFIPXVFZSA-N 0 0 432.008 3.915 50 0 IHAARN O=C(c1ccccc1)N1CCN([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250531 568983773 /nfs/dbraw/zinc/98/37/73/568983773.db2.gz JSZUACIAIZWRPP-VWLOTQADSA-N 0 0 431.580 3.588 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251944 568983970 /nfs/dbraw/zinc/98/39/70/568983970.db2.gz SEHGUTLQMZLRCB-OXJNMPFZSA-N 0 0 439.522 3.937 50 0 IHAARN O=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036252976 568984294 /nfs/dbraw/zinc/98/42/94/568984294.db2.gz RBVRTWKXRUGBAD-XMMPIXPASA-N 0 0 437.559 3.501 50 0 IHAARN COc1cccc(C(=O)N2CCN([C@@H](C(=O)NCc3cccc(C)c3)C3CCCC3)CC2)c1 ZINC000036255329 568985087 /nfs/dbraw/zinc/98/50/87/568985087.db2.gz GLRYPYDPANIBKV-RUZDIDTESA-N 0 0 449.595 3.637 50 0 IHAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)cc1 ZINC000064924419 568986161 /nfs/dbraw/zinc/98/61/61/568986161.db2.gz JVPXLDIUUKAIFK-UHFFFAOYSA-N 0 0 432.528 3.653 50 0 IHAARN CCOc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)cc1 ZINC000064924475 568986172 /nfs/dbraw/zinc/98/61/72/568986172.db2.gz NNABBCZLPYOLOZ-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)ccc2=O)cc1 ZINC000064927299 568987130 /nfs/dbraw/zinc/98/71/30/568987130.db2.gz YBHZYWCWKQQHAJ-LJQANCHMSA-N 0 0 430.552 3.889 50 0 IHAARN O=C(NC1CCCCCC1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928775 568987789 /nfs/dbraw/zinc/98/77/89/568987789.db2.gz ZDBRZCWJRCQJNY-KRWDZBQOSA-N 0 0 428.964 3.941 50 0 IHAARN Cc1ccccc1C(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064930269 568988704 /nfs/dbraw/zinc/98/87/04/568988704.db2.gz SEZVZFDLPBSXBF-INIZCTEOSA-N 0 0 436.493 3.805 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064931040 568989301 /nfs/dbraw/zinc/98/93/01/568989301.db2.gz PCXPOVOCFUIISP-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)s2)cc1 ZINC000064940871 568989416 /nfs/dbraw/zinc/98/94/16/568989416.db2.gz JCMGHPIPSDASNR-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccccc2F)s1 ZINC000064941735 568991274 /nfs/dbraw/zinc/99/12/74/568991274.db2.gz MAJSTWUTAOUYRO-MRXNPFEDSA-N 0 0 446.529 3.764 50 0 IHAARN O=C(NCc1ccccc1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681141 568991663 /nfs/dbraw/zinc/99/16/63/568991663.db2.gz DXBCLGZZRXDQNX-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681239 568992792 /nfs/dbraw/zinc/99/27/92/568992792.db2.gz YFALGGPIVYEBNM-UHFFFAOYSA-N 0 0 440.478 3.809 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4ccccc4F)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946546 568993573 /nfs/dbraw/zinc/99/35/73/568993573.db2.gz HDEXOXAHHXTGRE-UHFFFAOYSA-N 0 0 434.496 3.671 50 0 IHAARN C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)Nc5ccc(F)c(Cl)c5)nc4c23)C1 ZINC000064945940 568994008 /nfs/dbraw/zinc/99/40/08/568994008.db2.gz ZBAWVFIKNLRFFD-SNVBAGLBSA-N 0 0 445.907 3.662 50 0 IHAARN Cc1cccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccc(Cl)cc3)c2=O)c1 ZINC000064946443 568994173 /nfs/dbraw/zinc/99/41/73/568994173.db2.gz KDBKSCFQDVQFKD-UHFFFAOYSA-N 0 0 436.924 3.931 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000036310841 568996782 /nfs/dbraw/zinc/99/67/82/568996782.db2.gz JJQVTZKQCBPQBP-JOCHJYFZSA-N 0 0 430.568 3.793 50 0 IHAARN Cc1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036310836 568996873 /nfs/dbraw/zinc/99/68/73/568996873.db2.gz ORNYMSXHLXEMSF-QHCPKHFHSA-N 0 0 426.605 3.962 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311190 568997086 /nfs/dbraw/zinc/99/70/86/568997086.db2.gz XSTOCBAWMZUHPW-QFIPXVFZSA-N 0 0 427.495 3.920 50 0 IHAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000064958085 568999252 /nfs/dbraw/zinc/99/92/52/568999252.db2.gz FNDUIVBQWIDKSO-CQSZACIVSA-N 0 0 444.479 3.522 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3cccc(C)c3)cc2C[C@H]1C ZINC000064959418 568999622 /nfs/dbraw/zinc/99/96/22/568999622.db2.gz NXPICNHJCGIMQA-GOSISDBHSA-N 0 0 437.565 3.621 50 0 IHAARN CCn1c2c(nc(-c3cccc(C(F)(F)F)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965950 569001069 /nfs/dbraw/zinc/00/10/69/569001069.db2.gz XOZCTPXEYFFVFU-UHFFFAOYSA-N 0 0 445.376 3.526 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCc1ccccc1Cl)c2=O ZINC000064971149 569076457 /nfs/dbraw/zinc/07/64/57/569076457.db2.gz BUVHRWYFRCVFHN-MRXNPFEDSA-N 0 0 435.915 3.730 50 0 IHAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NC3CCCC3)c3ccccc32)cc1 ZINC000064971624 569076755 /nfs/dbraw/zinc/07/67/55/569076755.db2.gz QBUOASWNWVFWKH-UHFFFAOYSA-N 0 0 436.512 3.529 50 0 IHAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000064976847 569077294 /nfs/dbraw/zinc/07/72/94/569077294.db2.gz CWBZWXXUCHFVCK-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1 ZINC000064976986 569077377 /nfs/dbraw/zinc/07/73/77/569077377.db2.gz HFZLGFYRNOARTI-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN CCCCOC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340661 569078954 /nfs/dbraw/zinc/07/89/54/569078954.db2.gz RDROBFIDUQXCSZ-HSZRJFAPSA-N 0 0 440.632 3.546 50 0 IHAARN COc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)o2)cc1OC ZINC000064987869 569082803 /nfs/dbraw/zinc/08/28/03/569082803.db2.gz SGEWRANPVPWVNE-UHFFFAOYSA-N 0 0 443.525 3.986 50 0 IHAARN CN1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)[C@@H](c2ccccc2)C1 ZINC000064989140 569083045 /nfs/dbraw/zinc/08/30/45/569083045.db2.gz ZVOALXWYDTZSMI-XMMPIXPASA-N 0 0 427.552 3.873 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000064991673 569084739 /nfs/dbraw/zinc/08/47/39/569084739.db2.gz CDMICYDAXLOQGA-UHFFFAOYSA-N 0 0 430.555 3.566 50 0 IHAARN O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)n1Cc1ccco1 ZINC000064998906 569085540 /nfs/dbraw/zinc/08/55/40/569085540.db2.gz JNHGKBAPZZTVPY-UHFFFAOYSA-N 0 0 434.839 3.556 50 0 IHAARN Cc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999651 569086173 /nfs/dbraw/zinc/08/61/73/569086173.db2.gz VJOHXFQBTHAGKX-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN CCc1ccc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)cc1 ZINC000065009396 569087970 /nfs/dbraw/zinc/08/79/70/569087970.db2.gz ISISUEIMHVJYMN-UHFFFAOYSA-N 0 0 438.553 3.779 50 0 IHAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1 ZINC000065021208 569088809 /nfs/dbraw/zinc/08/88/09/569088809.db2.gz AVMIIXRDKWTJOU-UHFFFAOYSA-N 0 0 442.537 3.698 50 0 IHAARN COc1ccccc1CNC(=O)COc1nc(C)nc2onc(-c3ccc(C)c(C)c3)c21 ZINC000065024891 569089827 /nfs/dbraw/zinc/08/98/27/569089827.db2.gz BVLKXXVPLIRNGV-UHFFFAOYSA-N 0 0 432.480 3.914 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000065025856 569090825 /nfs/dbraw/zinc/09/08/25/569090825.db2.gz BTMMCAZPQQFEAH-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000065025838 569090857 /nfs/dbraw/zinc/09/08/57/569090857.db2.gz RJCMLSUAJWERMW-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2cccc(OC)c2)cc1 ZINC000065030368 569091198 /nfs/dbraw/zinc/09/11/98/569091198.db2.gz FVNMXBGSMSWBNC-UHFFFAOYSA-N 0 0 430.464 3.917 50 0 IHAARN Cc1ccccc1Cn1nnc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 ZINC000065030288 569091216 /nfs/dbraw/zinc/09/12/16/569091216.db2.gz SXFGSLRDDLKARQ-UHFFFAOYSA-N 0 0 425.536 3.746 50 0 IHAARN COc1cc(CNS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc(OC)c1OC ZINC000065031397 569091443 /nfs/dbraw/zinc/09/14/43/569091443.db2.gz GVZSNHYADIKTCA-UHFFFAOYSA-N 0 0 438.527 3.524 50 0 IHAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2cnc3ccc(F)cc3c2=O)CC1 ZINC000065034629 569092115 /nfs/dbraw/zinc/09/21/15/569092115.db2.gz HNXAXJSAXLHCFZ-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1Cl ZINC000065034887 569092518 /nfs/dbraw/zinc/09/25/18/569092518.db2.gz BQGHXENYPRUNEA-UHFFFAOYSA-N 0 0 425.916 3.804 50 0 IHAARN CN1C[C@H](c2ccccc2F)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036382116 569092555 /nfs/dbraw/zinc/09/25/55/569092555.db2.gz MIMUXDSTTFGLPT-PBXQCXKZSA-N 0 0 428.463 3.964 50 0 IHAARN COc1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1OC ZINC000169754027 569093696 /nfs/dbraw/zinc/09/36/96/569093696.db2.gz OPWGLFOZTAUDMB-MRXNPFEDSA-N 0 0 426.904 3.756 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000169757863 569094134 /nfs/dbraw/zinc/09/41/34/569094134.db2.gz BIZMBILVWRRZMF-OAQYLSRUSA-N 0 0 439.899 3.727 50 0 IHAARN CCCCc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)cc1 ZINC000169757985 569094178 /nfs/dbraw/zinc/09/41/78/569094178.db2.gz RQBCOQBHAINJGJ-HSZRJFAPSA-N 0 0 433.508 3.854 50 0 IHAARN CCOc1cc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)n2)ccc1OC ZINC000169758264 569094365 /nfs/dbraw/zinc/09/43/65/569094365.db2.gz OXKUFQHOBLTYDI-IBGZPJMESA-N 0 0 437.431 3.813 50 0 IHAARN CCc1ccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 ZINC000169760223 569094587 /nfs/dbraw/zinc/09/45/87/569094587.db2.gz BCUQYFFEBUAAEX-UHFFFAOYSA-N 0 0 440.547 3.916 50 0 IHAARN Cc1noc2nc(CCC(=O)NCc3ccccc3F)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056751 569094956 /nfs/dbraw/zinc/09/49/56/569094956.db2.gz AFIICHZMYUHVKJ-GJZGRUSLSA-N 0 0 425.508 3.797 50 0 IHAARN COc1cccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062001 569096949 /nfs/dbraw/zinc/09/69/49/569096949.db2.gz FUWCPUHZTXMDCM-UHFFFAOYSA-N 0 0 442.990 3.517 50 0 IHAARN C[C@@H](C(=O)NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062081 569097087 /nfs/dbraw/zinc/09/70/87/569097087.db2.gz LWBMXFJSEAADNK-CQSZACIVSA-N 0 0 426.991 3.755 50 0 IHAARN CCN1c2cc(C(=O)NCc3nc4ccccc4n3C)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766374 569097650 /nfs/dbraw/zinc/09/76/50/569097650.db2.gz NKTXDLNVJPTMRE-HSZRJFAPSA-N 0 0 431.540 3.686 50 0 IHAARN COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)cc1OC ZINC000169769272 569097982 /nfs/dbraw/zinc/09/79/82/569097982.db2.gz YVZGFSHAEVLXLW-GOSISDBHSA-N 0 0 439.859 3.937 50 0 IHAARN COc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1OC ZINC000169769218 569098079 /nfs/dbraw/zinc/09/80/79/569098079.db2.gz KWEKYIFOTPAFOA-KRWDZBQOSA-N 0 0 439.859 3.937 50 0 IHAARN CC[C@@H](C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000169770615 569098332 /nfs/dbraw/zinc/09/83/32/569098332.db2.gz INRIUMNYZOCVGY-JOCHJYFZSA-N 0 0 434.540 3.528 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(I)c1 ZINC000036396759 569099199 /nfs/dbraw/zinc/09/91/99/569099199.db2.gz SCPYMDWLAHSQPM-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN Cc1ccc(/C=C/c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCC3)no2)cc1 ZINC000065075947 569099209 /nfs/dbraw/zinc/09/92/09/569099209.db2.gz ZACTVSFEMMSRTG-DHZHZOJOSA-N 0 0 428.496 3.973 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065077804 569100652 /nfs/dbraw/zinc/10/06/52/569100652.db2.gz RGVTZIGOQVUWMB-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2nnc3n2CCC3)cc1 ZINC000036398357 569101323 /nfs/dbraw/zinc/10/13/23/569101323.db2.gz YZNOAULJUXVWRS-UHFFFAOYSA-N 0 0 426.524 3.878 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(Cl)cc4)ccn3n2)cc1C ZINC000169775943 569101998 /nfs/dbraw/zinc/10/19/98/569101998.db2.gz NOPMGMAHFUGUMO-UHFFFAOYSA-N 0 0 434.927 3.792 50 0 IHAARN CCc1cccc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccncc2)c1 ZINC000065083211 569102178 /nfs/dbraw/zinc/10/21/78/569102178.db2.gz UDWOQJAOFXZVBE-UHFFFAOYSA-N 0 0 438.535 3.854 50 0 IHAARN O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778023 569102471 /nfs/dbraw/zinc/10/24/71/569102471.db2.gz RLQCGOJYLNKZDY-SFHVURJKSA-N 0 0 425.452 3.564 50 0 IHAARN CCN(CC)c1ccc(C(=O)NCc2nnc3ccc(-c4ccc(OC)cc4)nn32)cc1 ZINC000169778557 569102804 /nfs/dbraw/zinc/10/28/04/569102804.db2.gz ZDBMNURJOUVCCK-UHFFFAOYSA-N 0 0 430.512 3.576 50 0 IHAARN O=C(c1ccc2cc[nH]c2c1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169780591 569103040 /nfs/dbraw/zinc/10/30/40/569103040.db2.gz TXKFISNQZGOHRY-UHFFFAOYSA-N 0 0 439.479 3.954 50 0 IHAARN CCN1C(=O)COc2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc21 ZINC000065098283 569104750 /nfs/dbraw/zinc/10/47/50/569104750.db2.gz KZVYARAZQIFBRG-KRWDZBQOSA-N 0 0 432.480 3.619 50 0 IHAARN Cn1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)c(-c2ccccc2)n1 ZINC000065099520 569105209 /nfs/dbraw/zinc/10/52/09/569105209.db2.gz WPFVIIYUWNCEJH-UHFFFAOYSA-N 0 0 440.479 3.892 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)c1 ZINC000065099552 569105320 /nfs/dbraw/zinc/10/53/20/569105320.db2.gz DHYYPXZAPZKECD-UHFFFAOYSA-N 0 0 434.525 3.622 50 0 IHAARN O=C(Cn1c(=O)nc(NCc2ccccc2)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000065101799 569105888 /nfs/dbraw/zinc/10/58/88/569105888.db2.gz PJZJNAMXEPSAEK-UHFFFAOYSA-N 0 0 432.911 3.978 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(NCc3ccccc3)nc2=O)cc1 ZINC000065101802 569105927 /nfs/dbraw/zinc/10/59/27/569105927.db2.gz JAMCHYMSPPZPRG-UHFFFAOYSA-N 0 0 426.476 3.850 50 0 IHAARN COc1cccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)c1 ZINC000065101824 569105937 /nfs/dbraw/zinc/10/59/37/569105937.db2.gz JYHBGLOZRSVPGK-UHFFFAOYSA-N 0 0 432.455 3.795 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000036420491 569106456 /nfs/dbraw/zinc/10/64/56/569106456.db2.gz WJGNMVSIQBRJAI-UWJYYQICSA-N 0 0 440.540 3.879 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2C)c1 ZINC000065116239 569107134 /nfs/dbraw/zinc/10/71/34/569107134.db2.gz NTBSRWZRBCNWAZ-UHFFFAOYSA-N 0 0 443.525 3.658 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NCc2ccc(C)cc2)c1 ZINC000065116137 569107230 /nfs/dbraw/zinc/10/72/30/569107230.db2.gz HYXQYXBMKYMSRJ-UHFFFAOYSA-N 0 0 443.525 3.658 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)cc1Cl ZINC000065111886 569107808 /nfs/dbraw/zinc/10/78/08/569107808.db2.gz WPNITGTXGRWIKX-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4cccc(C)c4)c3=O)n2)c1 ZINC000065112784 569108350 /nfs/dbraw/zinc/10/83/50/569108350.db2.gz HVVQPLXDGGOXJR-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130247 569109010 /nfs/dbraw/zinc/10/90/10/569109010.db2.gz ASOONNPONJTXEN-UHFFFAOYSA-N 0 0 447.922 3.963 50 0 IHAARN Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134145 569110032 /nfs/dbraw/zinc/11/00/32/569110032.db2.gz GOPFOAWJZBGUKW-UHFFFAOYSA-N 0 0 445.397 3.895 50 0 IHAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1 ZINC000006931391 569110879 /nfs/dbraw/zinc/11/08/79/569110879.db2.gz SWBSKIOGVXFXGT-UHFFFAOYSA-N 0 0 425.554 3.923 50 0 IHAARN CC(C)c1cccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)c1 ZINC000065151126 569111600 /nfs/dbraw/zinc/11/16/00/569111600.db2.gz XLQWGCDTSLLNGN-UHFFFAOYSA-N 0 0 433.537 3.945 50 0 IHAARN O=C(Cn1nc2c(SCc3ccccc3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000065151137 569111637 /nfs/dbraw/zinc/11/16/37/569111637.db2.gz GGWUFSILZDEAMN-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN O=C(CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21)Nc1ccc(Cl)cc1F ZINC000065155287 569112429 /nfs/dbraw/zinc/11/24/29/569112429.db2.gz GMCCSSXRDDILJN-JOCHJYFZSA-N 0 0 428.822 3.839 50 0 IHAARN O=C(c1csc(-c2ccc(N3CCCCC3)nc2)n1)N1CCN(c2ccccn2)CC1 ZINC000065165370 569112915 /nfs/dbraw/zinc/11/29/15/569112915.db2.gz PCRQTTWTTOOMIR-UHFFFAOYSA-N 0 0 434.569 3.553 50 0 IHAARN O=C(NCc1ccc(F)c(Cl)c1)c1csc(-c2ccc(N3CCOCC3)nc2)n1 ZINC000065165538 569112949 /nfs/dbraw/zinc/11/29/49/569112949.db2.gz AQRYKAKPSMEGGK-UHFFFAOYSA-N 0 0 432.908 3.764 50 0 IHAARN Cc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)c(C)c1 ZINC000065180031 569113636 /nfs/dbraw/zinc/11/36/36/569113636.db2.gz BNCUCSMCNACKNR-UHFFFAOYSA-N 0 0 436.552 3.707 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000036488166 569113740 /nfs/dbraw/zinc/11/37/40/569113740.db2.gz KJUHSCGFCLECBM-UHFFFAOYSA-N 0 0 446.551 3.674 50 0 IHAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(C)cc2Br)o1 ZINC000065194087 569114722 /nfs/dbraw/zinc/11/47/22/569114722.db2.gz XZESBZUCZGATOL-UHFFFAOYSA-N 0 0 439.335 3.872 50 0 IHAARN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2cc(F)cc(F)c2)c1C ZINC000065194627 569114784 /nfs/dbraw/zinc/11/47/84/569114784.db2.gz VMBXGVZGRCZMSH-UHFFFAOYSA-N 0 0 436.484 3.809 50 0 IHAARN CC1CCN(Cc2csc(N3CCN(C(=O)CSc4ccccc4)CC3)n2)CC1 ZINC000065200665 569115146 /nfs/dbraw/zinc/11/51/46/569115146.db2.gz FUUIOBUBBHCZRH-UHFFFAOYSA-N 0 0 430.643 3.816 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195472 569115438 /nfs/dbraw/zinc/11/54/38/569115438.db2.gz QAIXHQXUPKRINF-QGZVFWFLSA-N 0 0 437.927 3.939 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3c2=O)c1 ZINC000065196558 569115630 /nfs/dbraw/zinc/11/56/30/569115630.db2.gz CJSSJTMPMLCQKP-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3F)c(=O)n2c(-c2ccc(Cl)cc2)n1 ZINC000065196563 569115727 /nfs/dbraw/zinc/11/57/27/569115727.db2.gz NAXMBOLCTCIHNN-UHFFFAOYSA-N 0 0 446.269 3.951 50 0 IHAARN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000065202458 569116040 /nfs/dbraw/zinc/11/60/40/569116040.db2.gz XLVPYUIHBLQKEW-UHFFFAOYSA-N 0 0 426.398 3.522 50 0 IHAARN COc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)c(OC)c1 ZINC000065201207 569116210 /nfs/dbraw/zinc/11/62/10/569116210.db2.gz BWOIGIPMEIRSMM-UHFFFAOYSA-N 0 0 436.533 3.894 50 0 IHAARN O=C(c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000065210786 569116257 /nfs/dbraw/zinc/11/62/57/569116257.db2.gz FRFATBMVLYIFKX-UHFFFAOYSA-N 0 0 429.495 3.877 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c1 ZINC000065210040 569116594 /nfs/dbraw/zinc/11/65/94/569116594.db2.gz VAOSEWLPEMHIEK-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219015 569117348 /nfs/dbraw/zinc/11/73/48/569117348.db2.gz CBKJCWRQXGYDTB-NSHDSACASA-N 0 0 426.429 3.954 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1 ZINC000065228016 569117676 /nfs/dbraw/zinc/11/76/76/569117676.db2.gz QMTGGWRONMFVGN-QFBILLFUSA-N 0 0 432.528 3.888 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)Nc4cc(OC)ccc4OC)CC3)o2)cc1 ZINC000065229688 569118273 /nfs/dbraw/zinc/11/82/73/569118273.db2.gz CAKZYKWZDJQRJO-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1Cl ZINC000036579995 569119774 /nfs/dbraw/zinc/11/97/74/569119774.db2.gz VPPKLSZRKSVNNW-TZIWHRDSSA-N 0 0 438.915 3.505 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239093 569119918 /nfs/dbraw/zinc/11/99/18/569119918.db2.gz MBKZBUHCDWGVPY-UHFFFAOYSA-N 0 0 449.985 3.769 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239531 569120603 /nfs/dbraw/zinc/12/06/03/569120603.db2.gz ZPRKOPFPOYVUTB-UHFFFAOYSA-N 0 0 431.602 3.692 50 0 IHAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C2)ncn1 ZINC000065244845 569121604 /nfs/dbraw/zinc/12/16/04/569121604.db2.gz QPMFDNRLCDYNPN-NRFANRHFSA-N 0 0 436.604 3.644 50 0 IHAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 ZINC000036616113 569122778 /nfs/dbraw/zinc/12/27/78/569122778.db2.gz ZCPURMKSGMXWDT-CYBMUJFWSA-N 0 0 432.528 3.794 50 0 IHAARN Cc1cc(C)n(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)n1 ZINC000036616916 569122897 /nfs/dbraw/zinc/12/28/97/569122897.db2.gz YTHPODCNFUJILR-UHFFFAOYSA-N 0 0 428.540 3.909 50 0 IHAARN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000036611595 569123647 /nfs/dbraw/zinc/12/36/47/569123647.db2.gz MLSXYZDTRSGBNN-UHFFFAOYSA-N 0 0 446.536 3.691 50 0 IHAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 ZINC000036613230 569123743 /nfs/dbraw/zinc/12/37/43/569123743.db2.gz GDRYJDQMCKLOFY-AWEZNQCLSA-N 0 0 432.528 3.968 50 0 IHAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 ZINC000065258043 569124204 /nfs/dbraw/zinc/12/42/04/569124204.db2.gz BBFREODSGPIJQH-UHFFFAOYSA-N 0 0 434.544 3.674 50 0 IHAARN Cc1c2c(nn1C)n(CCC(=O)Nc1ccc(F)c(Cl)c1)c(=O)cc2C(F)(F)F ZINC000036621526 569126352 /nfs/dbraw/zinc/12/63/52/569126352.db2.gz GRROWRKGGVGZRH-UHFFFAOYSA-N 0 0 430.789 3.884 50 0 IHAARN Cn1cc(NC(=O)CCCCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cn1 ZINC000524732699 569126967 /nfs/dbraw/zinc/12/69/67/569126967.db2.gz KRLZAJIFFNQXHE-QHCPKHFHSA-N 0 0 443.507 3.734 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273509 569129576 /nfs/dbraw/zinc/12/95/76/569129576.db2.gz ANJNZPFOINJRNW-KRWDZBQOSA-N 0 0 426.586 3.562 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(C)c2C)CC3)CC1 ZINC000065273490 569129586 /nfs/dbraw/zinc/12/95/86/569129586.db2.gz YCKFYSDVMKILFY-QGZVFWFLSA-N 0 0 426.586 3.562 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC3)CC1 ZINC000065273453 569129656 /nfs/dbraw/zinc/12/96/56/569129656.db2.gz DAQXAMOSLFEPPA-KRWDZBQOSA-N 0 0 426.586 3.562 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1C ZINC000065273639 569129925 /nfs/dbraw/zinc/12/99/25/569129925.db2.gz WFPUFXWZKHDRQR-SFHVURJKSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1C ZINC000065273625 569129932 /nfs/dbraw/zinc/12/99/32/569129932.db2.gz SREQKSNIJAOMQM-SFHVURJKSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)cc1 ZINC000065273705 569129953 /nfs/dbraw/zinc/12/99/53/569129953.db2.gz HCTBQJJBQXEMFD-SFHVURJKSA-N 0 0 438.597 3.644 50 0 IHAARN Cc1oc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1 ZINC000065293720 569131031 /nfs/dbraw/zinc/13/10/31/569131031.db2.gz TVPSMFUMIFIMMC-UHFFFAOYSA-N 0 0 425.407 3.684 50 0 IHAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000065315432 569133999 /nfs/dbraw/zinc/13/39/99/569133999.db2.gz HTKNEKQHFYITRW-UHFFFAOYSA-N 0 0 427.480 3.850 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cc(C)cc(C)c3)nn2)CC1 ZINC000065315295 569134007 /nfs/dbraw/zinc/13/40/07/569134007.db2.gz RXGNDFIXHRHQFV-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318848 569134461 /nfs/dbraw/zinc/13/44/61/569134461.db2.gz WKLDFYASAYZOLZ-UHFFFAOYSA-N 0 0 440.525 3.699 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c(C)c1 ZINC000065318840 569134566 /nfs/dbraw/zinc/13/45/66/569134566.db2.gz LQNNYEQWMDCMNP-UHFFFAOYSA-N 0 0 440.525 3.699 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C)cc1 ZINC000065319480 569134932 /nfs/dbraw/zinc/13/49/32/569134932.db2.gz WJUHOGZNFQKIKF-UHFFFAOYSA-N 0 0 443.598 3.674 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000065315176 569135836 /nfs/dbraw/zinc/13/58/36/569135836.db2.gz QNDGKPFUQLRSIA-UHFFFAOYSA-N 0 0 431.558 3.616 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000065315232 569135843 /nfs/dbraw/zinc/13/58/43/569135843.db2.gz QMNBYZMSFMWJLS-UHFFFAOYSA-N 0 0 449.548 3.755 50 0 IHAARN CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)NC1CCCC1 ZINC000065319683 569135928 /nfs/dbraw/zinc/13/59/28/569135928.db2.gz BMWOVRGJCXBGOH-UHFFFAOYSA-N 0 0 449.646 3.650 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cc(F)ccc1C ZINC000065319887 569136027 /nfs/dbraw/zinc/13/60/27/569136027.db2.gz ILHGVIURIAZNJA-UHFFFAOYSA-N 0 0 447.561 3.651 50 0 IHAARN CCCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322464 569136726 /nfs/dbraw/zinc/13/67/26/569136726.db2.gz XTQJCHCEIHDUIN-UHFFFAOYSA-N 0 0 436.556 3.995 50 0 IHAARN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 ZINC000065489718 569138693 /nfs/dbraw/zinc/13/86/93/569138693.db2.gz HWXPQEYNQLTXFB-IUODEOHRSA-N 0 0 427.302 3.867 50 0 IHAARN COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(OC)c4)c(=O)n3n2)cc1 ZINC000065534941 569139531 /nfs/dbraw/zinc/13/95/31/569139531.db2.gz PKSQKEUFIOAYHP-UHFFFAOYSA-N 0 0 440.459 3.611 50 0 IHAARN COC(=O)[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000065614221 569140270 /nfs/dbraw/zinc/14/02/70/569140270.db2.gz IJNIFFFKIZWOKT-INIZCTEOSA-N 0 0 446.219 3.877 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC3(c4ccccn4)CC3)c2)c1 ZINC000170594591 569141278 /nfs/dbraw/zinc/14/12/78/569141278.db2.gz AKMLTVFBXJOHAR-UHFFFAOYSA-N 0 0 435.549 3.961 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000170595328 569141552 /nfs/dbraw/zinc/14/15/52/569141552.db2.gz CHJXAZSUQAPUHA-RBUKOAKNSA-N 0 0 449.979 3.909 50 0 IHAARN Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)o2)cc1NC(=O)c1ccccc1 ZINC000170595038 569141571 /nfs/dbraw/zinc/14/15/71/569141571.db2.gz KSPUHLJCWQDGKC-UHFFFAOYSA-N 0 0 433.508 3.603 50 0 IHAARN CC(=O)N(C)[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)c1c(F)cccc1Cl ZINC000170595819 569141707 /nfs/dbraw/zinc/14/17/07/569141707.db2.gz NEDRJUTVJWFCSY-UWJYYQICSA-N 0 0 434.939 3.917 50 0 IHAARN COc1cccc(N[C@@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C(C)(C)C)c1 ZINC000170600338 569142793 /nfs/dbraw/zinc/14/27/93/569142793.db2.gz WKMBZVMUDJLHAD-FQEVSTJZSA-N 0 0 425.533 3.873 50 0 IHAARN Cn1ccc2c1cccc2C(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608627 569144884 /nfs/dbraw/zinc/14/48/84/569144884.db2.gz FSRHMXXJQWOWNX-RBBKRZOGSA-N 0 0 447.535 3.592 50 0 IHAARN CNC(=O)c1ccc([C@H]2CCCCN2C(=O)Cc2nc(-c3ccsc3)oc2C)n1C ZINC000170612304 569145918 /nfs/dbraw/zinc/14/59/18/569145918.db2.gz QFHUSBLBPXRUOO-GOSISDBHSA-N 0 0 426.542 3.706 50 0 IHAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1 ZINC000037285116 569145939 /nfs/dbraw/zinc/14/59/39/569145939.db2.gz SETJGOLWDYHUSX-UHFFFAOYSA-N 0 0 428.536 3.719 50 0 IHAARN CCO[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000170615519 569146485 /nfs/dbraw/zinc/14/64/85/569146485.db2.gz UZWVKMVWWQKSCP-PGRDOPGGSA-N 0 0 430.570 3.757 50 0 IHAARN FC(F)(F)c1cc(N2CCn3c(Br)cnc3C2)nc(-c2cccnc2)n1 ZINC000170616184 569146586 /nfs/dbraw/zinc/14/65/86/569146586.db2.gz NZDBDGIAUKIMRA-UHFFFAOYSA-N 0 0 425.212 3.537 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(OC)cc1Cl ZINC000170623928 569148356 /nfs/dbraw/zinc/14/83/56/569148356.db2.gz ZHVSZCUBJWXBFS-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN Cn1ccnc1SCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009910314 569150413 /nfs/dbraw/zinc/15/04/13/569150413.db2.gz YDXIFDKDILVENI-UHFFFAOYSA-N 0 0 428.583 3.507 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000010024137 569151425 /nfs/dbraw/zinc/15/14/25/569151425.db2.gz XKWNXZITYMZANI-GOSISDBHSA-N 0 0 443.503 3.888 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cc(C)on4)o3)n2)cc1 ZINC000010060229 569152442 /nfs/dbraw/zinc/15/24/42/569152442.db2.gz XNFKXEYJTNFZKP-UHFFFAOYSA-N 0 0 429.483 3.896 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 ZINC000010060497 569152559 /nfs/dbraw/zinc/15/25/59/569152559.db2.gz RTTMRXBVWMRPGQ-UHFFFAOYSA-N 0 0 425.348 3.723 50 0 IHAARN Cc1cccc(C)c1-n1nnnc1SCCSc1nnnn1-c1c(C)cccc1C ZINC000010079062 569152564 /nfs/dbraw/zinc/15/25/64/569152564.db2.gz LORGKDWJRAJGGC-UHFFFAOYSA-N 0 0 438.586 3.756 50 0 IHAARN CCCN(CC(=O)Nc1ccc(Br)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000010088171 569152690 /nfs/dbraw/zinc/15/26/90/569152690.db2.gz KZFOSLYAHBEOFE-UHFFFAOYSA-N 0 0 435.347 3.598 50 0 IHAARN O=C(Nc1ccc2ncsc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010217407 569153224 /nfs/dbraw/zinc/15/32/24/569153224.db2.gz ITGABHAXRZFKQT-GFCCVEGCSA-N 0 0 427.960 3.803 50 0 IHAARN O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1cccc2ccccc21 ZINC000010255386 569154099 /nfs/dbraw/zinc/15/40/99/569154099.db2.gz ALEVUQHKLFUVIY-QGZVFWFLSA-N 0 0 435.549 3.795 50 0 IHAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000071824313 569154626 /nfs/dbraw/zinc/15/46/26/569154626.db2.gz KAKGVDSCROLGRD-HSZRJFAPSA-N 0 0 432.524 3.733 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000013854835 569157271 /nfs/dbraw/zinc/15/72/71/569157271.db2.gz MHEXYJWJKWZBDC-UHFFFAOYSA-N 0 0 441.531 3.791 50 0 IHAARN O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014015991 569157504 /nfs/dbraw/zinc/15/75/04/569157504.db2.gz CJIATNODQJFTDZ-GFCCVEGCSA-N 0 0 437.493 3.614 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000014489079 569159099 /nfs/dbraw/zinc/15/90/99/569159099.db2.gz LUMSCAWZXJQLQS-UHFFFAOYSA-N 0 0 428.492 3.856 50 0 IHAARN COc1ccc(NC(=O)c2cnc3ccc(I)cc3c2O)cc1C ZINC000089591179 569159660 /nfs/dbraw/zinc/15/96/60/569159660.db2.gz VJBMKRAJOMFCMV-UHFFFAOYSA-N 0 0 434.233 3.702 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4nc3SC(C)C)CC2)cc1 ZINC000089639012 569160220 /nfs/dbraw/zinc/16/02/20/569160220.db2.gz YYOAVYPHCZVZSG-UHFFFAOYSA-N 0 0 444.626 3.809 50 0 IHAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)c(OC)c1 ZINC000016841969 569163359 /nfs/dbraw/zinc/16/33/59/569163359.db2.gz WDVDQKOENTVDEJ-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c1 ZINC000016842256 569163453 /nfs/dbraw/zinc/16/34/53/569163453.db2.gz CGNBQJDQWVPNGN-UHFFFAOYSA-N 0 0 427.457 3.715 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(c2ccc(S(=O)(=O)C3CCCCC3)nn2)CC1 ZINC000016843667 569163715 /nfs/dbraw/zinc/16/37/15/569163715.db2.gz AFBDVCWMLVHXLX-UHFFFAOYSA-N 0 0 434.993 3.871 50 0 IHAARN O=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016845852 569163937 /nfs/dbraw/zinc/16/39/37/569163937.db2.gz WVZOUBJNEBROGN-UHFFFAOYSA-N 0 0 447.626 3.712 50 0 IHAARN O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000016849388 569164536 /nfs/dbraw/zinc/16/45/36/569164536.db2.gz CAMMPEJGQBOHRJ-UHFFFAOYSA-N 0 0 427.353 3.501 50 0 IHAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)N1CCN(c2ccccc2)CC1 ZINC000016849225 569164583 /nfs/dbraw/zinc/16/45/83/569164583.db2.gz YZDKNAKFBSZODE-UHFFFAOYSA-N 0 0 441.601 3.879 50 0 IHAARN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1CCC(N2C(=O)CCC2=O)CC1 ZINC000089800147 569164966 /nfs/dbraw/zinc/16/49/66/569164966.db2.gz NJGLONAXXTYPTI-UHFFFAOYSA-N 0 0 437.974 3.644 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1CCn1c(=O)oc2cccnc21 ZINC000089807764 569165089 /nfs/dbraw/zinc/16/50/89/569165089.db2.gz MUXCLABRUAZHOH-MRXNPFEDSA-N 0 0 435.311 3.790 50 0 IHAARN CC(=O)O[C@@H](CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 ZINC000016890642 569165528 /nfs/dbraw/zinc/16/55/28/569165528.db2.gz KCQOBXYSQDRGSX-IBGZPJMESA-N 0 0 440.521 3.781 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000016953647 569167357 /nfs/dbraw/zinc/16/73/57/569167357.db2.gz GHPAKGQZNDLODK-UHFFFAOYSA-N 0 0 436.533 3.623 50 0 IHAARN COc1cccc(C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)c1 ZINC000016960251 569168116 /nfs/dbraw/zinc/16/81/16/569168116.db2.gz URLAOTJYDPLTKI-XMMPIXPASA-N 0 0 434.515 3.523 50 0 IHAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1F ZINC000089960392 569169110 /nfs/dbraw/zinc/16/91/10/569169110.db2.gz JBXBUCDLDCFIQA-LBPRGKRZSA-N 0 0 434.942 3.670 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)c(C)c1 ZINC000016993992 569169655 /nfs/dbraw/zinc/16/96/55/569169655.db2.gz QDCYHDLBSVTPBN-UHFFFAOYSA-N 0 0 439.566 3.742 50 0 IHAARN Cc1nc(C)c(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)s1 ZINC000016991858 569169661 /nfs/dbraw/zinc/16/96/61/569169661.db2.gz RUTVTEANXNULKO-UHFFFAOYSA-N 0 0 425.583 3.658 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3F)s2)cc1OC ZINC000016992015 569169671 /nfs/dbraw/zinc/16/96/71/569169671.db2.gz ZWLVKHHDZUPIDW-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN CCOc1cc(CNc2cccc(NC(=O)C3CC3)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000089990972 569170036 /nfs/dbraw/zinc/17/00/36/569170036.db2.gz UUXNUIOLGKPYID-INIZCTEOSA-N 0 0 425.529 3.901 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983668 569170233 /nfs/dbraw/zinc/17/02/33/569170233.db2.gz DFTFGOAAGBIPMF-SFHVURJKSA-N 0 0 440.334 3.596 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1C ZINC000017011374 569170303 /nfs/dbraw/zinc/17/03/03/569170303.db2.gz WEUFNZUXTOFSMC-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000017012408 569170630 /nfs/dbraw/zinc/17/06/30/569170630.db2.gz AFLIOAZOCSYJFE-UHFFFAOYSA-N 0 0 442.317 3.847 50 0 IHAARN C[C@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)COCc1ccccc1 ZINC000037356009 569171207 /nfs/dbraw/zinc/17/12/07/569171207.db2.gz ZPOFYRGOCIQOPK-SFHVURJKSA-N 0 0 436.487 3.662 50 0 IHAARN O=S(=O)(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000017156835 569175090 /nfs/dbraw/zinc/17/50/90/569175090.db2.gz ZZQQXGARQPRGQF-UHFFFAOYSA-N 0 0 436.942 3.756 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)NCc1ccc(F)cc1 ZINC000017155836 569175152 /nfs/dbraw/zinc/17/51/52/569175152.db2.gz LSXQVMHRXQIQGI-UHFFFAOYSA-N 0 0 443.891 3.722 50 0 IHAARN O=C(Nc1nc2c(cc(F)cc2F)s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000017170134 569175400 /nfs/dbraw/zinc/17/54/00/569175400.db2.gz DRIGVNDCHPUVIL-GFCCVEGCSA-N 0 0 443.522 3.818 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc2c(c1)CCCC2 ZINC000017170219 569175403 /nfs/dbraw/zinc/17/54/03/569175403.db2.gz RPTRVHWOVZOHPG-UHFFFAOYSA-N 0 0 444.607 3.919 50 0 IHAARN COc1ccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000002875730 569177531 /nfs/dbraw/zinc/17/75/31/569177531.db2.gz MRHOSBSQTFLJNL-CYBMUJFWSA-N 0 0 444.944 3.943 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(SC)c2)C1 ZINC000002873600 569177612 /nfs/dbraw/zinc/17/76/12/569177612.db2.gz MCWCYDVUMKJDCA-INIZCTEOSA-N 0 0 434.583 3.765 50 0 IHAARN Cc1ccccc1[C@@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@@H](C)CO1 ZINC000170640524 569181323 /nfs/dbraw/zinc/18/13/23/569181323.db2.gz CMGVEGHGRCXSIE-DJJJIMSYSA-N 0 0 447.318 3.886 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(N3CCNC3=O)ccc2Cl)c(OC)c1 ZINC000170640807 569181434 /nfs/dbraw/zinc/18/14/34/569181434.db2.gz KRJIAMMXFYTNPR-LJQANCHMSA-N 0 0 429.904 3.864 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002137965 569185178 /nfs/dbraw/zinc/18/51/78/569185178.db2.gz KIYTZLZCYUJLKX-VCHYOVAHSA-N 0 0 442.855 3.967 50 0 IHAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002149553 569187205 /nfs/dbraw/zinc/18/72/05/569187205.db2.gz DKHMMCFFLDOIKJ-LJQANCHMSA-N 0 0 443.521 3.771 50 0 biogenic IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000208046312 569187885 /nfs/dbraw/zinc/18/78/85/569187885.db2.gz WJZKPGQLRWOWDV-LJQANCHMSA-N 0 0 439.002 3.911 50 0 IHAARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000252496740 569187981 /nfs/dbraw/zinc/18/79/81/569187981.db2.gz PQSIOUSTVMLDKC-FDDCHVKYSA-N 0 0 448.567 3.931 50 0 IHAARN COc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1OCc1ccccc1 ZINC000252507456 569188374 /nfs/dbraw/zinc/18/83/74/569188374.db2.gz WMFWCRYMTAXSPV-JCTONOIOSA-N 0 0 425.525 3.660 50 0 IHAARN CC(C)[C@@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2n1C(C)C ZINC000252509693 569188495 /nfs/dbraw/zinc/18/84/95/569188495.db2.gz YTLVLMYFIAEJFC-JOCHJYFZSA-N 0 0 447.539 3.902 50 0 IHAARN CCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208130757 569189023 /nfs/dbraw/zinc/18/90/23/569189023.db2.gz KMGLCUSCTIDFPJ-NBGIEHNGSA-N 0 0 434.540 3.713 50 0 IHAARN COC(=O)[C@@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002160803 569189030 /nfs/dbraw/zinc/18/90/30/569189030.db2.gz NVACJIKHPZSPRQ-CYBMUJFWSA-N 0 0 436.416 3.824 50 0 biogenic IHAARN O=S(=O)(NCCNc1nc(-c2ccco2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000037382710 569191985 /nfs/dbraw/zinc/19/19/85/569191985.db2.gz CJHHMNBWZIYSML-UHFFFAOYSA-N 0 0 428.901 3.934 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N[C@H](C)c3ccccc3)c2=O)cc1C ZINC000037399049 569194301 /nfs/dbraw/zinc/19/43/01/569194301.db2.gz JBMTZJNKBDUMAK-LJQANCHMSA-N 0 0 427.504 3.647 50 0 IHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)CC(C)(C)C ZINC000037400897 569195053 /nfs/dbraw/zinc/19/50/53/569195053.db2.gz GIDCJYWWHXVLKY-UHFFFAOYSA-N 0 0 449.569 3.874 50 0 IHAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)NC(C)C)C2)cc1OC ZINC000037441785 569196922 /nfs/dbraw/zinc/19/69/22/569196922.db2.gz FWRYSMOJCDSASJ-LJQANCHMSA-N 0 0 429.492 3.956 50 0 IHAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccncc3)CC(C)C)no2)cc1 ZINC000037455266 569197295 /nfs/dbraw/zinc/19/72/95/569197295.db2.gz YUXODOMKLLDEEW-UHFFFAOYSA-N 0 0 436.512 3.550 50 0 IHAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037526318 569199118 /nfs/dbraw/zinc/19/91/18/569199118.db2.gz LNLNTMVJQJCGFI-QGZVFWFLSA-N 0 0 447.576 3.549 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc2sc(Br)cc2n1C[C@@H]1CCCCO1 ZINC000037542079 569199724 /nfs/dbraw/zinc/19/97/24/569199724.db2.gz QDSVCOSVPZSJFB-OLZOCXBDSA-N 0 0 427.364 3.943 50 0 IHAARN COCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(OC)c2)cc1 ZINC000037555755 569200587 /nfs/dbraw/zinc/20/05/87/569200587.db2.gz ZDDTYPHFXMVXLR-UHFFFAOYSA-N 0 0 432.520 3.847 50 0 IHAARN Cc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccs2)CC3)cc1 ZINC000037580366 569201935 /nfs/dbraw/zinc/20/19/35/569201935.db2.gz KBBOYAABFIHWNI-UHFFFAOYSA-N 0 0 436.537 3.674 50 0 IHAARN CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000007806631 569204000 /nfs/dbraw/zinc/20/40/00/569204000.db2.gz CMHHAYHAHAWWQZ-HXUWFJFHSA-N 0 0 429.586 3.850 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21 ZINC000002218909 569204234 /nfs/dbraw/zinc/20/42/34/569204234.db2.gz ZHQSCFKKJWUCMC-UHFFFAOYSA-N 0 0 443.297 3.888 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000252635076 569207959 /nfs/dbraw/zinc/20/79/59/569207959.db2.gz WUOXUMCZTWXYRA-HIUQOUIUSA-N 0 0 444.556 3.772 50 0 IHAARN Cc1ccc(NC(=O)COc2ccccc2C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252669221 569209841 /nfs/dbraw/zinc/20/98/41/569209841.db2.gz GWXNAFNHKGELQW-UHFFFAOYSA-N 0 0 441.512 3.783 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(F)(F)F)c1)c2=O ZINC000003632046 569211951 /nfs/dbraw/zinc/21/19/51/569211951.db2.gz JVJFSDIWCMRZTK-HNNXBMFYSA-N 0 0 449.454 3.976 50 0 IHAARN Cc1ccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)cc1 ZINC000002260318 569215728 /nfs/dbraw/zinc/21/57/28/569215728.db2.gz KTWVZJIYDXGZPY-UHFFFAOYSA-N 0 0 427.504 3.913 50 0 IHAARN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1cccc(F)c1 ZINC000010298192 569217072 /nfs/dbraw/zinc/21/70/72/569217072.db2.gz QNDKWSDEUDNYTH-INIZCTEOSA-N 0 0 430.230 3.976 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 ZINC000011634198 569217270 /nfs/dbraw/zinc/21/72/70/569217270.db2.gz NFRNNVQPDPBEMK-DQRAZIAOSA-N 0 0 431.583 3.792 50 0 IHAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2csc3ccc(Cl)cc23)cc1 ZINC000001032338 569256379 /nfs/dbraw/zinc/25/63/79/569256379.db2.gz RAYIWRUMRODZHS-UHFFFAOYSA-N 0 0 434.926 3.687 50 0 IHAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC ZINC000008487906 569256615 /nfs/dbraw/zinc/25/66/15/569256615.db2.gz YTVLZQAMDFWOIX-YNJKOYDBSA-N 0 0 430.589 3.821 50 0 biogenic IHAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004712971 569256623 /nfs/dbraw/zinc/25/66/23/569256623.db2.gz OTNAVSJAMNLXPF-XTKXXMFCSA-N 0 0 432.557 3.744 50 0 IHAARN COC(=O)CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002281671 569263346 /nfs/dbraw/zinc/26/33/46/569263346.db2.gz UPOBGKVKLNFFAE-UHFFFAOYSA-N 0 0 430.551 3.990 50 0 IHAARN CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000253370291 569264107 /nfs/dbraw/zinc/26/41/07/569264107.db2.gz OUBHMPWIIJGZJR-KGLIPLIRSA-N 0 0 428.929 3.559 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000253419128 569266699 /nfs/dbraw/zinc/26/66/99/569266699.db2.gz IQKGHDKNQTWXDX-SFHVURJKSA-N 0 0 429.822 3.719 50 0 IHAARN Cc1c2nnc(C(F)(F)F)n2nc(NC[C@@H](NCc2ccccc2)C(F)(F)F)c1C ZINC000253420381 569266809 /nfs/dbraw/zinc/26/68/09/569266809.db2.gz WONKZRAPGQZMBA-CYBMUJFWSA-N 0 0 432.372 3.893 50 0 IHAARN C[C@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000002348822 569281982 /nfs/dbraw/zinc/28/19/82/569281982.db2.gz RARGSHZRRUCCOQ-CQSZACIVSA-N 0 0 427.595 3.713 50 0 IHAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccsc1)c1ccco1 ZINC000253472791 569282785 /nfs/dbraw/zinc/28/27/85/569282785.db2.gz PJTLHNLBTJDPJC-QGZVFWFLSA-N 0 0 431.457 3.715 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3cccs3)cc2)co1 ZINC000253473714 569282894 /nfs/dbraw/zinc/28/28/94/569282894.db2.gz XLUIFJZIAUBXIY-HXUWFJFHSA-N 0 0 430.507 3.519 50 0 IHAARN COc1ccc(CCn2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1OC ZINC000002358570 569285948 /nfs/dbraw/zinc/28/59/48/569285948.db2.gz HVNLDGLDGALQTF-UHFFFAOYSA-N 0 0 434.496 3.992 50 0 IHAARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000252489761 569288011 /nfs/dbraw/zinc/28/80/11/569288011.db2.gz JZLAYPYOXBEPPF-UXHICEINSA-N 0 0 435.455 3.776 50 0 IHAARN CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC000008776474 569290463 /nfs/dbraw/zinc/29/04/63/569290463.db2.gz JFKRUVAEUFRJEG-UHFFFAOYSA-N 0 0 428.539 3.665 50 0 IHAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000002395976 569298493 /nfs/dbraw/zinc/29/84/93/569298493.db2.gz FTKGWIBNWRZUJE-UHFFFAOYSA-N 0 0 444.879 3.900 50 0 IHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000002404178 569299898 /nfs/dbraw/zinc/29/98/98/569299898.db2.gz RUYVAFFXZJWACZ-AWEZNQCLSA-N 0 0 429.926 3.919 50 0 IHAARN COc1ccc(-c2c3c(cn2-c2cc(C(C)(C)C)ccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000002422678 569302168 /nfs/dbraw/zinc/30/21/68/569302168.db2.gz WNOBJJKHVWMXPU-UHFFFAOYSA-N 0 0 433.508 3.707 50 0 IHAARN CCOC(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@@H](C)CC3)OCC ZINC000002426889 569302677 /nfs/dbraw/zinc/30/26/77/569302677.db2.gz ANOXGFAUBRLYQZ-NSHDSACASA-N 0 0 432.575 3.506 50 0 IHAARN COc1ccccc1NC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000002431216 569303262 /nfs/dbraw/zinc/30/32/62/569303262.db2.gz QAGZRKVUDCZIPY-UHFFFAOYSA-N 0 0 427.457 3.732 50 0 IHAARN COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000011990352 569303430 /nfs/dbraw/zinc/30/34/30/569303430.db2.gz UJBKWKSNHFBNFC-NRFANRHFSA-N 0 0 448.527 3.929 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1C ZINC000002431989 569303462 /nfs/dbraw/zinc/30/34/62/569303462.db2.gz OOXQHJKOKSAWQG-INIZCTEOSA-N 0 0 436.537 3.795 50 0 IHAARN CCOC(=O)c1c(N)n(CCOC(=O)c2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002437072 569303905 /nfs/dbraw/zinc/30/39/05/569303905.db2.gz AJNANPYNTQWCSV-UHFFFAOYSA-N 0 0 438.871 3.854 50 0 IHAARN O=C(/C=C/c1c(F)cccc1Cl)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012985985 569305809 /nfs/dbraw/zinc/30/58/09/569305809.db2.gz ZJUSPUUBRKDBCA-CMDGGOBGSA-N 0 0 436.314 3.929 50 0 IHAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012982595 569305850 /nfs/dbraw/zinc/30/58/50/569305850.db2.gz LRCCTNVDOZQGFJ-AVYPCKFXSA-N 0 0 436.537 3.786 50 0 IHAARN Cc1cc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)no1 ZINC000013038203 569307763 /nfs/dbraw/zinc/30/77/63/569307763.db2.gz HOPXEZHWJKSDQL-UHFFFAOYSA-N 0 0 439.493 3.818 50 0 IHAARN CCCn1c(CCC(=O)Nc2nccs2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000013039774 569307969 /nfs/dbraw/zinc/30/79/69/569307969.db2.gz GSPYFEABDYWPOM-UHFFFAOYSA-N 0 0 449.602 3.505 50 0 IHAARN CCCCN(C(=O)Cc1c(Cl)cccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013097170 569309668 /nfs/dbraw/zinc/30/96/68/569309668.db2.gz AIHOQAUWHBOVCD-UHFFFAOYSA-N 0 0 441.359 3.602 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(C)cc3C)n2N)cc1 ZINC000013113007 569310507 /nfs/dbraw/zinc/31/05/07/569310507.db2.gz DYGLAEQLEREFIQ-INIZCTEOSA-N 0 0 439.541 3.510 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000013114445 569310618 /nfs/dbraw/zinc/31/06/18/569310618.db2.gz ZUOCAPRNRJSYGQ-MRXNPFEDSA-N 0 0 437.569 3.828 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C ZINC000013149458 569312291 /nfs/dbraw/zinc/31/22/91/569312291.db2.gz VZIMUJISUCWBPZ-QGZVFWFLSA-N 0 0 429.476 3.822 50 0 IHAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1ccc(Cl)cc1 ZINC000013361178 569314102 /nfs/dbraw/zinc/31/41/02/569314102.db2.gz CJZAZQSQXNLHGA-UHFFFAOYSA-N 0 0 429.914 3.973 50 0 IHAARN CN1C[C@H](c2ccccc2F)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396055 569315333 /nfs/dbraw/zinc/31/53/33/569315333.db2.gz MIMUXDSTTFGLPT-WGURPXDASA-N 0 0 428.463 3.964 50 0 IHAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C3N=NC(=O)O3)CC2)c1 ZINC000328590319 569316794 /nfs/dbraw/zinc/31/67/94/569316794.db2.gz VEBDVIKRBAPTQM-UHFFFAOYSA-N 0 0 445.479 3.656 50 0 IHAARN COc1ccc(C(=O)N2NC(=O)CC23CCCCC3)cc1S(=O)(=O)N1CCCCCC1 ZINC000328593387 569317348 /nfs/dbraw/zinc/31/73/48/569317348.db2.gz 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C[C@H]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2S1 ZINC000079019944 569322338 /nfs/dbraw/zinc/32/23/38/569322338.db2.gz QJETUKQJQPELJO-ZDUSSCGKSA-N 0 0 449.989 3.610 50 0 IHAARN Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1cccc2ccccc21 ZINC000079024207 569322606 /nfs/dbraw/zinc/32/26/06/569322606.db2.gz TXCZEFJERGWQNF-UHFFFAOYSA-N 0 0 448.548 3.539 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000079053289 569323506 /nfs/dbraw/zinc/32/35/06/569323506.db2.gz JLEHAMLSAJRCNN-UHFFFAOYSA-N 0 0 440.613 3.779 50 0 IHAARN C(Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)[C@H]1CSCCS1 ZINC000079061598 569323916 /nfs/dbraw/zinc/32/39/16/569323916.db2.gz KQMBYXXUMZCFEO-AWEZNQCLSA-N 0 0 436.672 3.663 50 0 IHAARN CC(C)C[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000079095307 569325274 /nfs/dbraw/zinc/32/52/74/569325274.db2.gz ZYMNYBJCQFRJBT-JENIJYKNSA-N 0 0 437.565 3.588 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N[C@H](c3ccccc3)C3CC3)c(Br)cc2N1 ZINC000079111914 569326193 /nfs/dbraw/zinc/32/61/93/569326193.db2.gz RYKZHLDIADOOQM-LJQANCHMSA-N 0 0 435.343 3.763 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1OC ZINC000019796688 569329536 /nfs/dbraw/zinc/32/95/36/569329536.db2.gz PCCPFUJSRUHDHK-GFCCVEGCSA-N 0 0 439.493 3.823 50 0 IHAARN COc1cc2c3cnn(CN4CCC(c5ccccc5)CC4)c(=O)c3n(C)c2cc1OC ZINC000079486286 569331085 /nfs/dbraw/zinc/33/10/85/569331085.db2.gz LVASLKTXYIRGJB-UHFFFAOYSA-N 0 0 432.524 3.743 50 0 IHAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000079488265 569331119 /nfs/dbraw/zinc/33/11/19/569331119.db2.gz WJSMNUTZWAQACY-MRXNPFEDSA-N 0 0 433.339 3.907 50 0 IHAARN Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1 ZINC000020103765 569334181 /nfs/dbraw/zinc/33/41/81/569334181.db2.gz NGEVUKIBDNPJHQ-UHFFFAOYSA-N 0 0 433.489 3.897 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000020116582 569335152 /nfs/dbraw/zinc/33/51/52/569335152.db2.gz BAZJKDYIWBGCDB-ZRBLBEILSA-N 0 0 443.478 3.702 50 0 IHAARN Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)c1 ZINC000020139084 569336091 /nfs/dbraw/zinc/33/60/91/569336091.db2.gz NXKISJAHEGUXAO-UHFFFAOYSA-N 0 0 447.560 3.596 50 0 IHAARN CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCOC)SCC3)cc1 ZINC000020154944 569353664 /nfs/dbraw/zinc/35/36/64/569353664.db2.gz FEMLGIAWMXDYJE-UHFFFAOYSA-N 0 0 433.599 3.611 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)S1(=O)=O ZINC000390830067 569354183 /nfs/dbraw/zinc/35/41/83/569354183.db2.gz IMZFTZVUFAEOJX-UHFFFAOYSA-N 0 0 427.570 3.790 50 0 IHAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000390831086 569354303 /nfs/dbraw/zinc/35/43/03/569354303.db2.gz PNSMHSZHLCSABB-CQSZACIVSA-N 0 0 440.399 3.695 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=O)[C@H]4COc5ccccc5O4)cc3n2)cc1Cl ZINC000020177036 569354517 /nfs/dbraw/zinc/35/45/17/569354517.db2.gz JBWBRVYOZBHRGJ-OAQYLSRUSA-N 0 0 436.855 3.861 50 0 IHAARN COC(CNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2)OC ZINC000020180339 569355008 /nfs/dbraw/zinc/35/50/08/569355008.db2.gz BTKLFFJDGUJDTD-WQRHYEAKSA-N 0 0 432.929 3.798 50 0 IHAARN COCCNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181500 569355375 /nfs/dbraw/zinc/35/53/75/569355375.db2.gz PYUUVPLDVWTXOV-LDADJPATSA-N 0 0 436.455 3.948 50 0 IHAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccccc4CC)cc3C2=O)CC1 ZINC000020213343 569356292 /nfs/dbraw/zinc/35/62/92/569356292.db2.gz OBQVELPOFUJDHR-UHFFFAOYSA-N 0 0 449.507 3.718 50 0 IHAARN COC(CNC(=O)[C@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O)OC ZINC000020237578 569357471 /nfs/dbraw/zinc/35/74/71/569357471.db2.gz LCSCJLOIGNEEFL-VGSWGCGISA-N 0 0 442.581 3.682 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccc(CC)cc3)oc2C)CC1 ZINC000020241251 569357874 /nfs/dbraw/zinc/35/78/74/569357874.db2.gz ZBHLHBBWISVETE-UHFFFAOYSA-N 0 0 431.558 3.746 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCc1cccc(Cl)c1 ZINC000020241785 569358076 /nfs/dbraw/zinc/35/80/76/569358076.db2.gz CKAMMVWMWOVHPO-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095349500 569361780 /nfs/dbraw/zinc/36/17/80/569361780.db2.gz RCIPWOTTXKUHIE-YFKPBYRVSA-N 0 0 439.048 3.978 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 ZINC000020385113 569363019 /nfs/dbraw/zinc/36/30/19/569363019.db2.gz QCYSIKYKRFKRAC-UHFFFAOYSA-N 0 0 433.489 3.595 50 0 IHAARN CCc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NC(=O)C(F)(F)F)cc1 ZINC000020386753 569363125 /nfs/dbraw/zinc/36/31/25/569363125.db2.gz DKVBAMVFHBDDDT-NRFANRHFSA-N 0 0 447.501 3.703 50 0 IHAARN CCC(CC)[C@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 ZINC000095401836 569363953 /nfs/dbraw/zinc/36/39/53/569363953.db2.gz GXKOOSQPRDQQTD-RUZDIDTESA-N 0 0 434.584 3.838 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000020416877 569364544 /nfs/dbraw/zinc/36/45/44/569364544.db2.gz SJANZHLMTYWBDD-UHFFFAOYSA-N 0 0 444.491 3.619 50 0 IHAARN CCCS(=O)(=O)Nc1ccc(NC(=O)CC2(C(F)(F)F)SCCS2)cc1 ZINC000095436702 569366590 /nfs/dbraw/zinc/36/65/90/569366590.db2.gz QWMFAWQMZQMWDF-UHFFFAOYSA-N 0 0 428.523 3.906 50 0 IHAARN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1c(C)noc1C ZINC000095441558 569366790 /nfs/dbraw/zinc/36/67/90/569366790.db2.gz MARBXBNHNJMRGQ-SFHVURJKSA-N 0 0 433.555 3.713 50 0 IHAARN CN(CCCC(=O)NC1(c2ccc(F)cc2F)CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000095447555 569367483 /nfs/dbraw/zinc/36/74/83/569367483.db2.gz IWRLCQLEKRFNRP-UHFFFAOYSA-N 0 0 440.487 3.700 50 0 IHAARN CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 ZINC000095448106 569367499 /nfs/dbraw/zinc/36/74/99/569367499.db2.gz AHIFEZGNBDOXHT-CTNGQTDRSA-N 0 0 439.961 3.558 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000095454148 569368244 /nfs/dbraw/zinc/36/82/44/569368244.db2.gz LOXKOBIOQGWFER-NFBKMPQASA-N 0 0 428.916 3.790 50 0 IHAARN COC(=O)c1cccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1 ZINC000095454275 569368395 /nfs/dbraw/zinc/36/83/95/569368395.db2.gz BQZOJJHWNXJNAF-UHFFFAOYSA-N 0 0 428.492 3.703 50 0 IHAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(F)cc2OC)CC1 ZINC000095456131 569368713 /nfs/dbraw/zinc/36/87/13/569368713.db2.gz KRQFPJJXZLPKSJ-IBGZPJMESA-N 0 0 435.883 3.552 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3nccn3C)cc2)cc1C ZINC000095456707 569368828 /nfs/dbraw/zinc/36/88/28/569368828.db2.gz ULCKXNNBYZOCRN-OAQYLSRUSA-N 0 0 438.553 3.815 50 0 IHAARN COc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)ccc1OCC(=O)NC(C)C ZINC000095457252 569368941 /nfs/dbraw/zinc/36/89/41/569368941.db2.gz NEFSGUJYYWSDRO-UHFFFAOYSA-N 0 0 433.508 3.841 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(c4ccc(Br)c(C)n4)CC3)n2)cc1 ZINC000095460599 569369641 /nfs/dbraw/zinc/36/96/41/569369641.db2.gz VXXMZDXKOHATGO-UHFFFAOYSA-N 0 0 428.334 3.833 50 0 IHAARN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2OC)c1 ZINC000095462029 569370074 /nfs/dbraw/zinc/37/00/74/569370074.db2.gz VGUDXXQPSUJGLE-NRFANRHFSA-N 0 0 427.522 3.628 50 0 IHAARN C[C@H]1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1S(C)(=O)=O ZINC000095463732 569370263 /nfs/dbraw/zinc/37/02/63/569370263.db2.gz JSHIOTVFIQJSKV-AWEZNQCLSA-N 0 0 442.459 3.604 50 0 IHAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000095469666 569371583 /nfs/dbraw/zinc/37/15/83/569371583.db2.gz QLYUJLKYHCHJMP-UHFFFAOYSA-N 0 0 440.521 3.593 50 0 IHAARN COc1ccc(C2(CNC(=O)Cc3c(C)[nH]nc3-c3ccc(F)cc3)CCOCC2)cc1 ZINC000095474244 569372581 /nfs/dbraw/zinc/37/25/81/569372581.db2.gz GDQBSMFQBVWHSK-UHFFFAOYSA-N 0 0 437.515 3.940 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1nccs1 ZINC000095475125 569372740 /nfs/dbraw/zinc/37/27/40/569372740.db2.gz BWUWXAGATZCFJC-UHFFFAOYSA-N 0 0 444.358 3.620 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4n3C(C)C)[nH]n2)cc1OC ZINC000095477116 569373255 /nfs/dbraw/zinc/37/32/55/569373255.db2.gz PGCMKLVTVAFRRN-UHFFFAOYSA-N 0 0 433.512 3.997 50 0 IHAARN COc1cccc2[nH]cc([C@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c21 ZINC000095479860 569373769 /nfs/dbraw/zinc/37/37/69/569373769.db2.gz POHHEPQUUUQVCE-IAGOWNOFSA-N 0 0 446.956 3.655 50 0 IHAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095479939 569373834 /nfs/dbraw/zinc/37/38/34/569373834.db2.gz WSIODMUYZBLDLP-LJQANCHMSA-N 0 0 449.020 3.791 50 0 IHAARN CCOC(=O)c1cc(Br)cc(F)c1NS(=O)(=O)c1ccccc1OC ZINC000095956593 569376845 /nfs/dbraw/zinc/37/68/45/569376845.db2.gz GSZDUAAJMDKDKV-UHFFFAOYSA-N 0 0 432.267 3.574 50 0 IHAARN CCOC(=O)CC1(N(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CCCCC1 ZINC000095961364 569377078 /nfs/dbraw/zinc/37/70/78/569377078.db2.gz RYIKCPIFKKAETH-UHFFFAOYSA-N 0 0 444.601 3.864 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N(Cc1ccc(O)cc1)C1CCCCC1 ZINC000095993494 569378497 /nfs/dbraw/zinc/37/84/97/569378497.db2.gz IGMJHUYEPOBASW-ONTIZHBOSA-N 0 0 431.602 3.779 50 0 IHAARN COc1ccc(CN(C(=O)c2sc(-c3cnn(C)c3)nc2C)[C@H](CO)C(C)C)cc1 ZINC000095997303 569378936 /nfs/dbraw/zinc/37/89/36/569378936.db2.gz OSYHLXOTAOUHIN-LJQANCHMSA-N 0 0 428.558 3.520 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1=O ZINC000096001337 569379014 /nfs/dbraw/zinc/37/90/14/569379014.db2.gz MOKGQPFOKVRMIR-OAQYLSRUSA-N 0 0 445.523 3.924 50 0 IHAARN Cc1nnc2ccc(C(=O)Nc3ccccc3N[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn12 ZINC000096011783 569379905 /nfs/dbraw/zinc/37/99/05/569379905.db2.gz RQZAZMYGJDDFDU-KRWDZBQOSA-N 0 0 436.516 3.711 50 0 IHAARN CC(C)(C)OC(=O)NCC1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCOCC1 ZINC000096012259 569380006 /nfs/dbraw/zinc/38/00/06/569380006.db2.gz MFADCECHSKXWLF-UHFFFAOYSA-N 0 0 434.577 3.801 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025380 569380684 /nfs/dbraw/zinc/38/06/84/569380684.db2.gz XEDCPJZONUHJNO-MRXNPFEDSA-N 0 0 430.913 3.992 50 0 IHAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096096916 569381263 /nfs/dbraw/zinc/38/12/63/569381263.db2.gz KFGKKBRJTTUKKR-UHFFFAOYSA-N 0 0 426.860 3.537 50 0 IHAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000096103455 569381973 /nfs/dbraw/zinc/38/19/73/569381973.db2.gz YCDPHBJFJDCZNS-IBGZPJMESA-N 0 0 442.002 3.983 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105308 569382310 /nfs/dbraw/zinc/38/23/10/569382310.db2.gz HGFJNAFSFZLVBJ-UHFFFAOYSA-N 0 0 446.334 3.649 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2=O)c1 ZINC000096105376 569382361 /nfs/dbraw/zinc/38/23/61/569382361.db2.gz FJBYVDGEDAITJR-UHFFFAOYSA-N 0 0 439.943 3.613 50 0 IHAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H]1CCOC(C)(C)C1)C(=O)OC2 ZINC000096114951 569382995 /nfs/dbraw/zinc/38/29/95/569382995.db2.gz GNVNPMSQXFIVMN-QHDPKREISA-N 0 0 431.529 3.722 50 0 biogenic IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117799 569384321 /nfs/dbraw/zinc/38/43/21/569384321.db2.gz HXXFTKCCJGSVND-UGSOOPFHSA-N 0 0 431.514 3.930 50 0 IHAARN O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cs1 ZINC000096120444 569384929 /nfs/dbraw/zinc/38/49/29/569384929.db2.gz KCPSTONPQXIWRV-UHFFFAOYSA-N 0 0 425.323 3.932 50 0 IHAARN C/C=C\c1ccc(OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c(OC)c1 ZINC000096126916 569385722 /nfs/dbraw/zinc/38/57/22/569385722.db2.gz FUXRHVIOHWHZCZ-PLNGDYQASA-N 0 0 426.488 3.798 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000096220878 569386764 /nfs/dbraw/zinc/38/67/64/569386764.db2.gz BNCIXMJEZAKCBY-OAQYLSRUSA-N 0 0 430.508 3.930 50 0 biogenic IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(c1)nc(C(C)C)n3C)C=C2 ZINC000096232767 569387889 /nfs/dbraw/zinc/38/78/89/569387889.db2.gz RPRVGEDXKLFEKZ-UHFFFAOYSA-N 0 0 448.523 3.708 50 0 IHAARN CCN(CCN1C(=O)CS[C@H]1c1cccs1)S(=O)(=O)c1cccc2cccnc21 ZINC000096279411 569389296 /nfs/dbraw/zinc/38/92/96/569389296.db2.gz VWVWCPYLCKLPKB-FQEVSTJZSA-N 0 0 447.607 3.581 50 0 IHAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2cccc(C)c2)SCC1=O ZINC000096279324 569389348 /nfs/dbraw/zinc/38/93/48/569389348.db2.gz GVABOCIBXGVMGB-HXUWFJFHSA-N 0 0 428.602 3.721 50 0 IHAARN COc1ccc(-c2noc(CCN(C(=O)COCc3ccccc3)C(C)C)n2)cc1OC ZINC000096291922 569391261 /nfs/dbraw/zinc/39/12/61/569391261.db2.gz SORMNAUBAKDAJA-UHFFFAOYSA-N 0 0 439.512 3.750 50 0 IHAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(S(=O)(=O)C(C)C)CC2)cc1 ZINC000096294332 569391790 /nfs/dbraw/zinc/39/17/90/569391790.db2.gz QBQWQQSSAUFXMU-UHFFFAOYSA-N 0 0 444.645 3.743 50 0 IHAARN Cc1cc(Cl)ccc1S(=O)(=O)NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096309501 569392311 /nfs/dbraw/zinc/39/23/11/569392311.db2.gz NBAHLLOQYVTXDT-UHFFFAOYSA-N 0 0 445.976 3.628 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1nc(CC)c(Cc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000096318058 569393651 /nfs/dbraw/zinc/39/36/51/569393651.db2.gz CJFSHISVDXVZQZ-UHFFFAOYSA-N 0 0 428.920 3.901 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCc1ccc(F)cc1 ZINC000096318101 569393715 /nfs/dbraw/zinc/39/37/15/569393715.db2.gz SRYQUBKDVZSRRS-UHFFFAOYSA-N 0 0 445.494 3.533 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1 ZINC000096322238 569394531 /nfs/dbraw/zinc/39/45/31/569394531.db2.gz YRLLRNMXAMRBIP-UHFFFAOYSA-N 0 0 427.464 3.968 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c(C)c1 ZINC000096322559 569394719 /nfs/dbraw/zinc/39/47/19/569394719.db2.gz BEEUZPWOLZALOA-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5cccc(Cl)c5)c(=O)n4ccn3n2)c1 ZINC000096322576 569394840 /nfs/dbraw/zinc/39/48/40/569394840.db2.gz WSRSKCPWLYQGMZ-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000096345459 569397120 /nfs/dbraw/zinc/39/71/20/569397120.db2.gz YTDYLXHKJDLBHK-HNNXBMFYSA-N 0 0 447.470 3.602 50 0 IHAARN CC[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096350322 569397422 /nfs/dbraw/zinc/39/74/22/569397422.db2.gz OAAFBKPJSKGHOT-NRFANRHFSA-N 0 0 427.508 3.680 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)c1OC ZINC000096386249 569398460 /nfs/dbraw/zinc/39/84/60/569398460.db2.gz SPPKOOVQXZGMSF-UHFFFAOYSA-N 0 0 434.467 3.862 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(F)cc2)c1OC ZINC000096387142 569398903 /nfs/dbraw/zinc/39/89/03/569398903.db2.gz VCGDZUPQCXVABM-LJQANCHMSA-N 0 0 435.455 3.646 50 0 IHAARN CSc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1 ZINC000096397110 569399299 /nfs/dbraw/zinc/39/92/99/569399299.db2.gz PHGHXVRANOFHHY-UHFFFAOYSA-N 0 0 444.557 3.589 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000096398496 569399634 /nfs/dbraw/zinc/39/96/34/569399634.db2.gz IQTWKQMASINGDF-QGZVFWFLSA-N 0 0 443.588 3.823 50 0 IHAARN CC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C(C)C ZINC000334162187 569402235 /nfs/dbraw/zinc/40/22/35/569402235.db2.gz PDYVHKHRQFUFBX-DENIHFKCSA-N 0 0 447.539 3.571 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(-c4ccccc4F)o3)C(=O)O2)c1 ZINC000096840170 569402501 /nfs/dbraw/zinc/40/25/01/569402501.db2.gz ICRFTQGJYRGTMO-CPNJWEJPSA-N 0 0 440.452 3.681 50 0 IHAARN COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(OC(F)F)c(OC)c3)OC1=O)=C2 ZINC000096939638 569402680 /nfs/dbraw/zinc/40/26/80/569402680.db2.gz YBJNUGSRJJPHBA-LZYBPNLTSA-N 0 0 429.375 3.969 50 0 IHAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000225546881 569404211 /nfs/dbraw/zinc/40/42/11/569404211.db2.gz FANSOVOFZIXXEU-UHFFFAOYSA-N 0 0 441.535 3.755 50 0 IHAARN C[C@H](O)c1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)s1 ZINC000225682997 569406905 /nfs/dbraw/zinc/40/69/05/569406905.db2.gz SCDPZLZFNSLLSB-INIZCTEOSA-N 0 0 435.611 3.766 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225820479 569409015 /nfs/dbraw/zinc/40/90/15/569409015.db2.gz ZANHDOXVGITGPG-UHFFFAOYSA-N 0 0 447.413 3.659 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000028325067 569409762 /nfs/dbraw/zinc/40/97/62/569409762.db2.gz FBNLEXVZLZIMHW-UHFFFAOYSA-N 0 0 433.596 3.755 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)n1 ZINC000002606388 569410124 /nfs/dbraw/zinc/41/01/24/569410124.db2.gz KZBIMBHUPFJNDT-UHFFFAOYSA-N 0 0 448.595 3.863 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002617747 569410353 /nfs/dbraw/zinc/41/03/53/569410353.db2.gz HKODMIZPNLALOC-LJQANCHMSA-N 0 0 438.698 3.979 50 0 IHAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCC(F)(F)F)cc1 ZINC000002643544 569413921 /nfs/dbraw/zinc/41/39/21/569413921.db2.gz QNJUXGJMOFBWKR-UHFFFAOYSA-N 0 0 437.443 3.555 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000002645202 569414108 /nfs/dbraw/zinc/41/41/08/569414108.db2.gz DPVLWVXUKAZTNE-UHFFFAOYSA-N 0 0 432.398 3.539 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000002647595 569414408 /nfs/dbraw/zinc/41/44/08/569414408.db2.gz MJKMKJDXOUYAFS-UZTOHYMASA-N 0 0 439.515 3.654 50 0 IHAARN CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000230009046 569417278 /nfs/dbraw/zinc/41/72/78/569417278.db2.gz AUOVLTAQTPUHOW-PBNUPURSSA-N 0 0 445.537 3.633 50 0 biogenic IHAARN COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002713818 569417935 /nfs/dbraw/zinc/41/79/35/569417935.db2.gz LQUKTTSNJUQUEY-UHFFFAOYSA-N 0 0 433.965 3.546 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000002726649 569418675 /nfs/dbraw/zinc/41/86/75/569418675.db2.gz XMIRSNCEGCALHU-IBGZPJMESA-N 0 0 439.581 3.587 50 0 IHAARN Cc1nnc2nc(SCC(=O)NCc3ccccc3)n(-c3cccc(Cl)c3)c(N)c1-2 ZINC000002927365 569425919 /nfs/dbraw/zinc/42/59/19/569425919.db2.gz GMKWSZKRLXABRN-UHFFFAOYSA-N 0 0 438.944 3.598 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002938277 569426440 /nfs/dbraw/zinc/42/64/40/569426440.db2.gz IEJIDMAVRLSNNG-UHFFFAOYSA-N 0 0 438.952 3.880 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NCc2ccccc2Cl)c2ccco2)cc1 ZINC000002938631 569426518 /nfs/dbraw/zinc/42/65/18/569426518.db2.gz SBYHHWCFCXXBGX-LJQANCHMSA-N 0 0 432.929 3.968 50 0 IHAARN COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000057128599 569429750 /nfs/dbraw/zinc/42/97/50/569429750.db2.gz NXXMKOFORGUWMC-QUZZAMIASA-N 0 0 425.916 3.927 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000057416616 569434290 /nfs/dbraw/zinc/43/42/90/569434290.db2.gz GCDXJRPGNOEICG-CQSZACIVSA-N 0 0 436.314 3.834 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000057425771 569434473 /nfs/dbraw/zinc/43/44/73/569434473.db2.gz IMVNEAMQLWZUHZ-UHFFFAOYSA-N 0 0 427.910 3.628 50 0 IHAARN CC1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)CC1 ZINC000057426094 569434500 /nfs/dbraw/zinc/43/45/00/569434500.db2.gz JGVPKUKKLZFBFT-UHFFFAOYSA-N 0 0 431.558 3.996 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCC[C@H](C)C2)c1 ZINC000057426178 569434513 /nfs/dbraw/zinc/43/45/13/569434513.db2.gz HFMBAEHSPDXHBT-HNNXBMFYSA-N 0 0 443.594 3.866 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O ZINC000057427954 569434849 /nfs/dbraw/zinc/43/48/49/569434849.db2.gz IGUDCECNOUKYEX-MRXNPFEDSA-N 0 0 445.972 3.718 50 0 IHAARN Cc1ccc(CN(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003004088 569435188 /nfs/dbraw/zinc/43/51/88/569435188.db2.gz MNQYIUDLOYSOON-UHFFFAOYSA-N 0 0 436.577 3.853 50 0 IHAARN CCSc1nnc(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)s1 ZINC000029865542 569435834 /nfs/dbraw/zinc/43/58/34/569435834.db2.gz VVBKEAKQLXTNPG-UHFFFAOYSA-N 0 0 426.570 3.762 50 0 IHAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000057478660 569435895 /nfs/dbraw/zinc/43/58/95/569435895.db2.gz FHOGNUSHGSOYSD-UHFFFAOYSA-N 0 0 431.539 3.760 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000003024356 569436178 /nfs/dbraw/zinc/43/61/78/569436178.db2.gz OCDFDSOSNQXSMV-UHFFFAOYSA-N 0 0 429.311 3.871 50 0 IHAARN COc1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)cc1OC ZINC000057486318 569436426 /nfs/dbraw/zinc/43/64/26/569436426.db2.gz XMFVIIXAXGPMSJ-UHFFFAOYSA-N 0 0 429.270 3.573 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2Cl)c1=O)Nc1ccccc1F ZINC000057486415 569436451 /nfs/dbraw/zinc/43/64/51/569436451.db2.gz XZSYSELPTZEMIN-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)no1 ZINC000057489210 569436969 /nfs/dbraw/zinc/43/69/69/569436969.db2.gz WXEKAVXWSHAVFX-UHFFFAOYSA-N 0 0 434.449 3.753 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000057489708 569437029 /nfs/dbraw/zinc/43/70/29/569437029.db2.gz DLYRFQMBGAGXBG-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 ZINC000057489932 569437109 /nfs/dbraw/zinc/43/71/09/569437109.db2.gz QWGPMDONHCLJDR-UHFFFAOYSA-N 0 0 431.517 3.502 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000057489762 569437111 /nfs/dbraw/zinc/43/71/11/569437111.db2.gz XGIUSHWRQCQAGI-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000057490968 569437263 /nfs/dbraw/zinc/43/72/63/569437263.db2.gz PFUUBDPSQGCPOD-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000057491131 569437294 /nfs/dbraw/zinc/43/72/94/569437294.db2.gz OJCPPLOKOXPWRC-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)c1ccccc1 ZINC000057491849 569437369 /nfs/dbraw/zinc/43/73/69/569437369.db2.gz ANXGAHDEQUZROY-UHFFFAOYSA-N 0 0 425.897 3.530 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c(C)c1 ZINC000057492990 569437515 /nfs/dbraw/zinc/43/75/15/569437515.db2.gz ADSKXCYHFMUCGO-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1 ZINC000057492796 569437523 /nfs/dbraw/zinc/43/75/23/569437523.db2.gz ZTTTYTPTUNLQCW-LJQANCHMSA-N 0 0 445.544 3.634 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)cc1C ZINC000057494117 569437677 /nfs/dbraw/zinc/43/76/77/569437677.db2.gz IDYZQCORLSGCMY-UHFFFAOYSA-N 0 0 439.562 3.784 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3Cl)c2=O)ccc1F ZINC000057494279 569437680 /nfs/dbraw/zinc/43/76/80/569437680.db2.gz MJMFOYWOZYMNNA-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN COc1ccc(CNC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000003035032 569437959 /nfs/dbraw/zinc/43/79/59/569437959.db2.gz UJEWPWCWCCASSB-UHFFFAOYSA-N 0 0 439.606 3.950 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(-c2cccc(Cl)c2)n1 ZINC000057527526 569439135 /nfs/dbraw/zinc/43/91/35/569439135.db2.gz UGZITEZPCZCBJW-UHFFFAOYSA-N 0 0 427.888 3.782 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c(-c2cccc(Cl)c2)n1 ZINC000057527553 569439170 /nfs/dbraw/zinc/43/91/70/569439170.db2.gz MANBDYFZUSPPMU-UHFFFAOYSA-N 0 0 425.872 3.551 50 0 IHAARN CCOC(=O)CC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1Cl ZINC000003059338 569439381 /nfs/dbraw/zinc/43/93/81/569439381.db2.gz PNVSFPYTNJRJRG-UHFFFAOYSA-N 0 0 436.942 3.774 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3F)sc2c1 ZINC000003167717 569441081 /nfs/dbraw/zinc/44/10/81/569441081.db2.gz LSLIHPVTNGTQGA-UHFFFAOYSA-N 0 0 429.292 3.854 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000003190312 569441422 /nfs/dbraw/zinc/44/14/22/569441422.db2.gz OEYHHWCQMQUJJZ-KKSFZXQISA-N 0 0 425.529 3.617 50 0 IHAARN COc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)c1 ZINC000003214066 569441833 /nfs/dbraw/zinc/44/18/33/569441833.db2.gz MOYRQLJAPFHWSA-UHFFFAOYSA-N 0 0 446.459 3.613 50 0 IHAARN COc1ccc2nc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)sc2c1 ZINC000003221528 569442006 /nfs/dbraw/zinc/44/20/06/569442006.db2.gz PJZRKDXVWWCNJE-UHFFFAOYSA-N 0 0 425.491 3.606 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000003224122 569442069 /nfs/dbraw/zinc/44/20/69/569442069.db2.gz MJMCYCRURMKAOI-XXBNENTESA-N 0 0 442.515 3.549 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc12 ZINC000003229205 569442264 /nfs/dbraw/zinc/44/22/64/569442264.db2.gz UCKOMWIQAWHHDI-UHFFFAOYSA-N 0 0 447.472 3.766 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000003244358 569442710 /nfs/dbraw/zinc/44/27/10/569442710.db2.gz FAAWGLXKABMGLW-AWEZNQCLSA-N 0 0 431.945 3.666 50 0 IHAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1cccs1 ZINC000003249567 569442855 /nfs/dbraw/zinc/44/28/55/569442855.db2.gz MNMBOTFSHYEXEU-UHFFFAOYSA-N 0 0 449.579 3.948 50 0 IHAARN Cc1csc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000003248796 569442862 /nfs/dbraw/zinc/44/28/62/569442862.db2.gz LCKMLIYADQDENV-UHFFFAOYSA-N 0 0 428.495 3.558 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3cc2O)c(=O)n(-c2ccccc2)n1C ZINC000003253279 569443005 /nfs/dbraw/zinc/44/30/05/569443005.db2.gz LIEQFBKJOQBDNB-INIZCTEOSA-N 0 0 445.475 3.527 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1I ZINC000003265382 569443342 /nfs/dbraw/zinc/44/33/42/569443342.db2.gz JEXPEXBWPFTJCA-AWEZNQCLSA-N 0 0 437.277 3.586 50 0 IHAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC000003265129 569443362 /nfs/dbraw/zinc/44/33/62/569443362.db2.gz JLUNAKHAVXATEK-UHFFFAOYSA-N 0 0 446.579 3.654 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O ZINC000003276948 569443767 /nfs/dbraw/zinc/44/37/67/569443767.db2.gz KSRLCUUXJGMMHL-CQSZACIVSA-N 0 0 443.525 3.646 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc3ccccn31)CCCC2 ZINC000003281957 569443877 /nfs/dbraw/zinc/44/38/77/569443877.db2.gz UUGKRGGBCYJUCN-LBPRGKRZSA-N 0 0 430.555 3.966 50 0 IHAARN CCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000003289220 569444220 /nfs/dbraw/zinc/44/42/20/569444220.db2.gz WYDRWAPOSFSPRS-UHFFFAOYSA-N 0 0 439.946 3.608 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O ZINC000003290741 569444442 /nfs/dbraw/zinc/44/44/42/569444442.db2.gz COEGVMNXCIAJNT-UHFFFAOYSA-N 0 0 439.487 3.589 50 0 IHAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC000003296776 569444789 /nfs/dbraw/zinc/44/47/89/569444789.db2.gz WCZQCTHEUYXTPV-UHFFFAOYSA-N 0 0 448.781 3.575 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl ZINC000003301373 569445051 /nfs/dbraw/zinc/44/50/51/569445051.db2.gz IRUSMDONORUTNX-INIZCTEOSA-N 0 0 431.279 3.576 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc4c(c31)CCC4)CCCC2 ZINC000003309188 569445352 /nfs/dbraw/zinc/44/53/52/569445352.db2.gz IVFXFSPUMPXDDN-UHFFFAOYSA-N 0 0 444.607 3.950 50 0 IHAARN COc1ccccc1N1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000058024121 569445453 /nfs/dbraw/zinc/44/54/53/569445453.db2.gz HTTGYIJQZRQARX-UHFFFAOYSA-N 0 0 429.318 3.830 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c(C)n1Cc1cccs1 ZINC000003342114 569446962 /nfs/dbraw/zinc/44/69/62/569446962.db2.gz LNPARMFAKAUOQY-RUZDIDTESA-N 0 0 447.560 3.877 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)OCCO4)s2)cc1 ZINC000003366532 569448172 /nfs/dbraw/zinc/44/81/72/569448172.db2.gz RWBSSMRQCHOHDR-UHFFFAOYSA-N 0 0 443.506 3.641 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000058138309 569448418 /nfs/dbraw/zinc/44/84/18/569448418.db2.gz YLTUFFHWLGVHLQ-RFAWQRTRSA-N 0 0 442.563 3.986 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 ZINC000003385884 569448967 /nfs/dbraw/zinc/44/89/67/569448967.db2.gz QTWRSMVIIGDAKW-UHFFFAOYSA-N 0 0 443.503 3.521 50 0 IHAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000003393756 569449392 /nfs/dbraw/zinc/44/93/92/569449392.db2.gz JMWULKFYRCMIBH-UHFFFAOYSA-N 0 0 435.358 3.635 50 0 IHAARN C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Br)c1 ZINC000058166202 569449463 /nfs/dbraw/zinc/44/94/63/569449463.db2.gz TXESGCRIRJVRTP-GFCCVEGCSA-N 0 0 426.336 3.582 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)N1CCOCC1 ZINC000003405455 569449869 /nfs/dbraw/zinc/44/98/69/569449869.db2.gz UYNKKNPCGSSTFT-UHFFFAOYSA-N 0 0 432.908 3.678 50 0 IHAARN CSCC[C@@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)N1C(=O)c2ccccc2C1=O ZINC000003424719 569450551 /nfs/dbraw/zinc/45/05/51/569450551.db2.gz MBMFBTAVECHNGF-SFHVURJKSA-N 0 0 448.491 3.664 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 ZINC000003427735 569450582 /nfs/dbraw/zinc/45/05/82/569450582.db2.gz DPHCPXGEGNICKM-UHFFFAOYSA-N 0 0 449.529 3.881 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H]1c1ccc(F)c(Br)c1 ZINC000217644980 569450759 /nfs/dbraw/zinc/45/07/59/569450759.db2.gz GGSCQONQQXIZHO-KRWDZBQOSA-N 0 0 444.347 3.959 50 0 IHAARN CN(Cc1cccs1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003452291 569451650 /nfs/dbraw/zinc/45/16/50/569451650.db2.gz YDSFUXCKAMRLNM-UHFFFAOYSA-N 0 0 425.535 3.850 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000003457414 569451813 /nfs/dbraw/zinc/45/18/13/569451813.db2.gz LNDKUUDEISOKCU-GOSISDBHSA-N 0 0 425.794 3.765 50 0 IHAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1 ZINC000003473058 569452184 /nfs/dbraw/zinc/45/21/84/569452184.db2.gz LNZKEFNJRBPMKV-UHFFFAOYSA-N 0 0 435.498 3.608 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000003478812 569452266 /nfs/dbraw/zinc/45/22/66/569452266.db2.gz VIXWRXAZPRHVGT-UHFFFAOYSA-N 0 0 438.505 3.925 50 0 IHAARN C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003489103 569452432 /nfs/dbraw/zinc/45/24/32/569452432.db2.gz UOCFSMYQQQPBHX-MRXNPFEDSA-N 0 0 431.444 3.508 50 0 IHAARN COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000003515602 569453090 /nfs/dbraw/zinc/45/30/90/569453090.db2.gz IJTDTURWROXVPF-UHFFFAOYSA-N 0 0 428.268 3.744 50 0 IHAARN CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003533482 569453443 /nfs/dbraw/zinc/45/34/43/569453443.db2.gz MLZBNQAKHDHWLA-JTQLQIEISA-N 0 0 439.328 3.882 50 0 IHAARN CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000058357621 569453604 /nfs/dbraw/zinc/45/36/04/569453604.db2.gz AALHKLASTHLVEI-JTQLQIEISA-N 0 0 434.279 3.883 50 0 IHAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1Cl ZINC000003541338 569453644 /nfs/dbraw/zinc/45/36/44/569453644.db2.gz FWAYWIVWXXBHFF-UHFFFAOYSA-N 0 0 426.300 3.520 50 0 IHAARN O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000058370043 569453750 /nfs/dbraw/zinc/45/37/50/569453750.db2.gz UIBJNXYMLILMKW-QGZVFWFLSA-N 0 0 427.551 3.850 50 0 IHAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000003552887 569453854 /nfs/dbraw/zinc/45/38/54/569453854.db2.gz OJVOMSKWYOUFIY-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN COC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000003560787 569454083 /nfs/dbraw/zinc/45/40/83/569454083.db2.gz GKYDLFHQBVDHSL-UHFFFAOYSA-N 0 0 425.462 3.518 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000031202471 569454809 /nfs/dbraw/zinc/45/48/09/569454809.db2.gz BDXVCEWZKPVUBY-GOSISDBHSA-N 0 0 440.500 3.728 50 0 IHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NCc4ccccc4)cc3[nH]c2=S)c1 ZINC000003630118 569455216 /nfs/dbraw/zinc/45/52/16/569455216.db2.gz RZWDTROOZWHLAH-UHFFFAOYSA-N 0 0 447.516 3.622 50 0 IHAARN CCc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653960 569455732 /nfs/dbraw/zinc/45/57/32/569455732.db2.gz SHQLSKZSGZHTLV-UHFFFAOYSA-N 0 0 440.502 3.848 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc(=O)sc2c1 ZINC000003654001 569455777 /nfs/dbraw/zinc/45/57/77/569455777.db2.gz YZUBVNUTJXNPAL-UHFFFAOYSA-N 0 0 444.465 3.733 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653971 569455778 /nfs/dbraw/zinc/45/57/78/569455778.db2.gz CBJHKTRXVOUAKV-UHFFFAOYSA-N 0 0 426.475 3.594 50 0 IHAARN Cc1c(C(=O)NCc2ccc(N3CCCC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031316960 569455787 /nfs/dbraw/zinc/45/57/87/569455787.db2.gz HAMKSXZACLOYNF-UHFFFAOYSA-N 0 0 430.434 3.520 50 0 IHAARN Cn1ccnc1-c1sc(NC(=O)c2nn(C)c(=O)c3ccccc32)nc1-c1ccccc1 ZINC000058566527 569456342 /nfs/dbraw/zinc/45/63/42/569456342.db2.gz PODNKUZJPMEMEI-UHFFFAOYSA-N 0 0 442.504 3.710 50 0 IHAARN CCc1nnsc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000031497087 569456573 /nfs/dbraw/zinc/45/65/73/569456573.db2.gz WTGGBBMUQLBUAY-UHFFFAOYSA-N 0 0 428.508 3.926 50 0 IHAARN CCNc1nc(SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000031766422 569457257 /nfs/dbraw/zinc/45/72/57/569457257.db2.gz VHCLLYUZTVFMBM-UHFFFAOYSA-N 0 0 432.452 3.712 50 0 IHAARN Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000032071127 569459169 /nfs/dbraw/zinc/45/91/69/569459169.db2.gz CSNQDYYDOPXQOI-UHFFFAOYSA-N 0 0 435.411 3.646 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000032073339 569459315 /nfs/dbraw/zinc/45/93/15/569459315.db2.gz GQKVHKUHSQUQSL-LJQANCHMSA-N 0 0 448.479 3.566 50 0 IHAARN CCc1ccc(O[C@@](NC(=O)Nc2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208088 569460929 /nfs/dbraw/zinc/46/09/29/569460929.db2.gz COCSIRQVPLALSV-IBGZPJMESA-N 0 0 426.391 3.890 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O ZINC000008734659 569472592 /nfs/dbraw/zinc/47/25/92/569472592.db2.gz HSONPRXCZZXMOQ-FVMDXXJSSA-N 0 0 425.308 3.561 50 0 IHAARN CCOc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000032297477 569461098 /nfs/dbraw/zinc/46/10/98/569461098.db2.gz UYOMLRJTDLRRAZ-OALUTQOASA-N 0 0 426.557 3.990 50 0 IHAARN O=C(CCN1C(=O)CCC1=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000008750250 569473319 /nfs/dbraw/zinc/47/33/19/569473319.db2.gz SFLJROUEHMSEKY-UHFFFAOYSA-N 0 0 445.353 3.615 50 0 IHAARN COc1ccc(OCCN(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1 ZINC000032523389 569461944 /nfs/dbraw/zinc/46/19/44/569461944.db2.gz QBRHFYXWGRSYKI-UHFFFAOYSA-N 0 0 443.503 3.604 50 0 IHAARN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032524347 569461976 /nfs/dbraw/zinc/46/19/76/569461976.db2.gz UZMDOEMDMYHFJR-UHFFFAOYSA-N 0 0 434.901 3.528 50 0 IHAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000008157239 569462365 /nfs/dbraw/zinc/46/23/65/569462365.db2.gz FFQFUKNRWHETJD-HXUWFJFHSA-N 0 0 427.570 3.828 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000008187531 569462390 /nfs/dbraw/zinc/46/23/90/569462390.db2.gz PJTJCCIJBBCVPU-UHFFFAOYSA-N 0 0 427.574 3.783 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)c1 ZINC000038487690 569462927 /nfs/dbraw/zinc/46/29/27/569462927.db2.gz OLOMZLOZWALKGR-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN O=C(CSc1ccc(F)cc1)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000038561679 569464019 /nfs/dbraw/zinc/46/40/19/569464019.db2.gz HCJKHXWUDMLCDE-MRXNPFEDSA-N 0 0 442.603 3.729 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)NCc1ccc(Cl)cc1 ZINC000067208560 569464777 /nfs/dbraw/zinc/46/47/77/569464777.db2.gz YENSNWDQOGEHOW-UHFFFAOYSA-N 0 0 443.894 3.681 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1C ZINC000067218445 569464962 /nfs/dbraw/zinc/46/49/62/569464962.db2.gz PHBDUCSXIXRSPZ-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O ZINC000067225737 569465183 /nfs/dbraw/zinc/46/51/83/569465183.db2.gz YYYGBSLXFKPGAW-UHFFFAOYSA-N 0 0 433.537 3.745 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O ZINC000067226168 569465297 /nfs/dbraw/zinc/46/52/97/569465297.db2.gz ZXQBKNCGGQIDCI-LBPRGKRZSA-N 0 0 431.949 3.690 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237153 569465500 /nfs/dbraw/zinc/46/55/00/569465500.db2.gz IHGGQFCXJIWCII-UHFFFAOYSA-N 0 0 448.504 3.790 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000067238953 569465614 /nfs/dbraw/zinc/46/56/14/569465614.db2.gz KCEKLVQFRVVIHX-CYBMUJFWSA-N 0 0 430.530 3.752 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000067238955 569465641 /nfs/dbraw/zinc/46/56/41/569465641.db2.gz KCEKLVQFRVVIHX-ZDUSSCGKSA-N 0 0 430.530 3.752 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067239107 569465648 /nfs/dbraw/zinc/46/56/48/569465648.db2.gz CKZMFTVFIXZIOF-CYBMUJFWSA-N 0 0 428.514 3.506 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCCCc4ccccc4)ccn3n2)cc1C ZINC000067260922 569466394 /nfs/dbraw/zinc/46/63/94/569466394.db2.gz JHOGONSFSPTCGQ-UHFFFAOYSA-N 0 0 428.536 3.919 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCCC4=CCCCC4)ccn3n2)cc1 ZINC000067261166 569466480 /nfs/dbraw/zinc/46/64/80/569466480.db2.gz SYJUIDOISRGVAH-UHFFFAOYSA-N 0 0 434.540 3.959 50 0 IHAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 ZINC000067261652 569466493 /nfs/dbraw/zinc/46/64/93/569466493.db2.gz PUMAAQPTFHNVBF-UHFFFAOYSA-N 0 0 430.277 3.518 50 0 IHAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@@H]2CCCO2)cc1F ZINC000067294185 569467840 /nfs/dbraw/zinc/46/78/40/569467840.db2.gz UYDMKTDHMUOFCC-BTAOAOQOSA-N 0 0 426.444 3.730 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301622 569468330 /nfs/dbraw/zinc/46/83/30/569468330.db2.gz ZSWCPXFCVZEURI-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3cccc(C)c3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067319775 569468571 /nfs/dbraw/zinc/46/85/71/569468571.db2.gz MIQKKRMVRQIVOS-UHFFFAOYSA-N 0 0 436.512 3.878 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000067322126 569468606 /nfs/dbraw/zinc/46/86/06/569468606.db2.gz IHLAGZOYVHJOOR-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(Cc2ccccc2)C(C)C)nc1N ZINC000067336227 569468863 /nfs/dbraw/zinc/46/88/63/569468863.db2.gz ACGNNKIRSSFFPV-UHFFFAOYSA-N 0 0 446.960 3.969 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)s2)cc1 ZINC000038900643 569469403 /nfs/dbraw/zinc/46/94/03/569469403.db2.gz GORYPKIFOGLVHC-UHFFFAOYSA-N 0 0 437.521 3.886 50 0 IHAARN Cc1cc(C)n2nc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nc2n1 ZINC000008621874 569469444 /nfs/dbraw/zinc/46/94/44/569469444.db2.gz KXGHOLBIDABRMC-MRXNPFEDSA-N 0 0 429.933 3.708 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008634694 569469524 /nfs/dbraw/zinc/46/95/24/569469524.db2.gz CFYFEYGDHLUKDW-WXTAPIANSA-N 0 0 427.504 3.998 50 0 IHAARN C[C@@H]1Cc2nc(SCC(=O)N3CCC(C)CC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000008661562 569469828 /nfs/dbraw/zinc/46/98/28/569469828.db2.gz VTBRXINQVOMKJO-MRXNPFEDSA-N 0 0 429.611 3.679 50 0 IHAARN CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008703906 569470201 /nfs/dbraw/zinc/47/02/01/569470201.db2.gz LOKNBIBXSPXWKT-GOSISDBHSA-N 0 0 443.594 3.543 50 0 IHAARN COc1ccc(NC(=O)c2c(C)[nH]c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000008704168 569470273 /nfs/dbraw/zinc/47/02/73/569470273.db2.gz QGNOQLAIOIMDEN-UHFFFAOYSA-N 0 0 427.526 3.912 50 0 IHAARN O=C(Cc1cn2ccsc2n1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000008710063 569470851 /nfs/dbraw/zinc/47/08/51/569470851.db2.gz PXTTXRBPHHGPFL-UHFFFAOYSA-N 0 0 430.486 3.517 50 0 IHAARN Cc1nc2ccc(C)cn2c1CN1CCN(C(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000008719849 569471438 /nfs/dbraw/zinc/47/14/38/569471438.db2.gz YOUXXXCSVBDASR-UHFFFAOYSA-N 0 0 429.524 3.873 50 0 IHAARN C[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000008725696 569472208 /nfs/dbraw/zinc/47/22/08/569472208.db2.gz WJSOQHCWCGYSBH-MRXNPFEDSA-N 0 0 438.505 3.750 50 0 IHAARN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000008748344 569473199 /nfs/dbraw/zinc/47/31/99/569473199.db2.gz DTXNGJQSYPZXAY-SFHVURJKSA-N 0 0 426.966 3.719 50 0 IHAARN COC[C@@H](O)CNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000008764545 569474622 /nfs/dbraw/zinc/47/46/22/569474622.db2.gz PBVHFWYRARGSKG-KRWDZBQOSA-N 0 0 435.476 3.571 50 0 biogenic IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000008766814 569474864 /nfs/dbraw/zinc/47/48/64/569474864.db2.gz FFRGMEVBUILCCY-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)cc1 ZINC000008768787 569474992 /nfs/dbraw/zinc/47/49/92/569474992.db2.gz VOYJHCODKQNXJF-HXUWFJFHSA-N 0 0 449.525 3.606 50 0 IHAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000008768863 569474998 /nfs/dbraw/zinc/47/49/98/569474998.db2.gz GUAJVEMSZQGCBA-KRWDZBQOSA-N 0 0 445.541 3.684 50 0 IHAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 ZINC000008779060 569475491 /nfs/dbraw/zinc/47/54/91/569475491.db2.gz QMDIPDKSNWCMLR-KRWDZBQOSA-N 0 0 428.554 3.862 50 0 IHAARN NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000008780235 569475569 /nfs/dbraw/zinc/47/55/69/569475569.db2.gz GNBUTRMOPNVEQF-UHFFFAOYSA-N 0 0 427.526 3.945 50 0 IHAARN CCNC(=O)NC(=O)[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)c1ccccc1 ZINC000008780135 569475598 /nfs/dbraw/zinc/47/55/98/569475598.db2.gz YMYTYNUIVGLGJZ-GOSISDBHSA-N 0 0 434.525 3.679 50 0 IHAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789114 569475891 /nfs/dbraw/zinc/47/58/91/569475891.db2.gz ZQOBPOOBQSKWPS-SIBVEZHUSA-N 0 0 431.536 3.864 50 0 biogenic IHAARN COc1ccc([C@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789899 569476015 /nfs/dbraw/zinc/47/60/15/569476015.db2.gz QHAKCBXNRUCPEX-IBVKSMDESA-N 0 0 431.536 3.864 50 0 biogenic IHAARN CCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000008791423 569476214 /nfs/dbraw/zinc/47/62/14/569476214.db2.gz REBLPAXURDUIAC-UHFFFAOYSA-N 0 0 432.571 3.693 50 0 IHAARN O=C(Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3)N1CCc2ccccc21 ZINC000008825251 569477349 /nfs/dbraw/zinc/47/73/49/569477349.db2.gz IQSNBPBZZINXRM-UHFFFAOYSA-N 0 0 448.592 3.522 50 0 IHAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 ZINC000008834557 569477927 /nfs/dbraw/zinc/47/79/27/569477927.db2.gz HZULCBOCAIVFHX-UHFFFAOYSA-N 0 0 431.496 3.846 50 0 IHAARN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000008844313 569478590 /nfs/dbraw/zinc/47/85/90/569478590.db2.gz QQZFNDMVXBMPOH-UHFFFAOYSA-N 0 0 439.471 3.773 50 0 IHAARN Cc1nnc(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)n1Cc1ccccc1 ZINC000008848605 569479163 /nfs/dbraw/zinc/47/91/63/569479163.db2.gz BCAPMOATJQIJTR-UHFFFAOYSA-N 0 0 432.553 3.571 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000008855645 569479692 /nfs/dbraw/zinc/47/96/92/569479692.db2.gz CLWMOJPPUQZMQH-UHFFFAOYSA-N 0 0 426.869 3.764 50 0 IHAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)c1ccc(OC)cc1 ZINC000008856184 569479714 /nfs/dbraw/zinc/47/97/14/569479714.db2.gz KFJWGTKEJDZFLT-HXUWFJFHSA-N 0 0 443.521 3.830 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1N1CCCC1=O ZINC000008860942 569479927 /nfs/dbraw/zinc/47/99/27/569479927.db2.gz HPHJAEKAQHQNMA-UHFFFAOYSA-N 0 0 441.553 3.630 50 0 IHAARN COCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000008870355 569480517 /nfs/dbraw/zinc/48/05/17/569480517.db2.gz BZZWUEFFCPNSNK-UHFFFAOYSA-N 0 0 433.482 3.662 50 0 IHAARN CCOC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000008871485 569480798 /nfs/dbraw/zinc/48/07/98/569480798.db2.gz HMHNTVUUWKPGQU-CQSZACIVSA-N 0 0 442.313 3.882 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)c2c1 ZINC000008878835 569481287 /nfs/dbraw/zinc/48/12/87/569481287.db2.gz UWLUEPKMJMMCIS-UHFFFAOYSA-N 0 0 434.492 3.891 50 0 biogenic IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000008880709 569481509 /nfs/dbraw/zinc/48/15/09/569481509.db2.gz JCWJXDXBMRFURZ-LJQANCHMSA-N 0 0 441.513 3.566 50 0 IHAARN Cc1ccc(Cn2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3c2=O)cc1 ZINC000039404028 569481543 /nfs/dbraw/zinc/48/15/43/569481543.db2.gz JTCMMXDSTYPBIE-UHFFFAOYSA-N 0 0 429.499 3.614 50 0 IHAARN Cc1ccc(CN(C)C(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000039534933 569481691 /nfs/dbraw/zinc/48/16/91/569481691.db2.gz CVDBIJGJXLCJOJ-UHFFFAOYSA-N 0 0 438.549 3.858 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)C(C)C)cc1 ZINC000039656650 569481829 /nfs/dbraw/zinc/48/18/29/569481829.db2.gz FKTIQGUASOCWQU-QFIPXVFZSA-N 0 0 437.492 3.916 50 0 IHAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]2c2cccs2)cc1 ZINC000039964458 569482156 /nfs/dbraw/zinc/48/21/56/569482156.db2.gz GVRXCQLQDWOHFS-XMSQKQJNSA-N 0 0 438.505 3.603 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)no1 ZINC000039985507 569482356 /nfs/dbraw/zinc/48/23/56/569482356.db2.gz YFOASFPUXGMBHM-UHFFFAOYSA-N 0 0 441.535 3.853 50 0 IHAARN COc1cc(OC)cc(-c2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)o2)c1 ZINC000040025033 569482792 /nfs/dbraw/zinc/48/27/92/569482792.db2.gz XUTIONGCWXJQSM-UHFFFAOYSA-N 0 0 429.454 3.603 50 0 IHAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCc3nnc4n3CCC4)c12 ZINC000040037567 569483296 /nfs/dbraw/zinc/48/32/96/569483296.db2.gz RMYBQRFLIZHSCF-UHFFFAOYSA-N 0 0 442.401 3.685 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)cs2)cc1OC ZINC000068937406 569483355 /nfs/dbraw/zinc/48/33/55/569483355.db2.gz MBJWFSRFWNLEGX-UHFFFAOYSA-N 0 0 430.507 3.562 50 0 IHAARN O=C(Nc1ccccn1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000040040362 569483459 /nfs/dbraw/zinc/48/34/59/569483459.db2.gz QYPQDJKIGDYPBK-QFIPXVFZSA-N 0 0 431.517 3.763 50 0 IHAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCC3 ZINC000008893333 569483547 /nfs/dbraw/zinc/48/35/47/569483547.db2.gz PCSPCWCGRFGZGU-GFCCVEGCSA-N 0 0 430.551 3.988 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c(C)n1Cc1ccco1 ZINC000008896101 569483869 /nfs/dbraw/zinc/48/38/69/569483869.db2.gz OEFIPKFPSVNTGN-UHFFFAOYSA-N 0 0 437.496 3.610 50 0 IHAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)CCNC(=O)C(C)(C)C ZINC000040050500 569484238 /nfs/dbraw/zinc/48/42/38/569484238.db2.gz WQLCNBFTCDIKPH-UHFFFAOYSA-N 0 0 446.525 3.811 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCc2ccccc21 ZINC000008901476 569484313 /nfs/dbraw/zinc/48/43/13/569484313.db2.gz MWLSPXSVVXFGLY-AEFFLSMTSA-N 0 0 435.549 3.645 50 0 IHAARN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1C(F)(F)F ZINC000040051448 569484454 /nfs/dbraw/zinc/48/44/54/569484454.db2.gz KQCGZODFHRHEGP-CYBMUJFWSA-N 0 0 437.418 3.645 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000008909633 569484741 /nfs/dbraw/zinc/48/47/41/569484741.db2.gz JCGZKUXLLPXAMP-UHFFFAOYSA-N 0 0 438.896 3.507 50 0 IHAARN COc1ccc(CCC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 ZINC000008910233 569484800 /nfs/dbraw/zinc/48/48/00/569484800.db2.gz ABRCOGMJMCRUIA-UHFFFAOYSA-N 0 0 445.928 3.534 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nnc(-n3c(C)ccc3C)s2)C1 ZINC000008912688 569485060 /nfs/dbraw/zinc/48/50/60/569485060.db2.gz DDQHRKGKAIQLDG-LJQANCHMSA-N 0 0 439.585 3.877 50 0 IHAARN CCCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915740 569485644 /nfs/dbraw/zinc/48/56/44/569485644.db2.gz KJJQXPWFGNOOHL-LJQANCHMSA-N 0 0 431.554 3.704 50 0 IHAARN COc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(OC)c1Br ZINC000040072039 569485834 /nfs/dbraw/zinc/48/58/34/569485834.db2.gz DWARJVTWKHNNRF-HNNXBMFYSA-N 0 0 449.301 3.836 50 0 IHAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917050 569485929 /nfs/dbraw/zinc/48/59/29/569485929.db2.gz WNKOOTZLXXNYMW-UTKZUKDTSA-N 0 0 437.517 3.649 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008918231 569486229 /nfs/dbraw/zinc/48/62/29/569486229.db2.gz SSZIYVYETRVFDE-MQNRADLISA-N 0 0 446.507 3.629 50 0 biogenic IHAARN CC1(C)Cc2cccc(OCCNC(=O)NCCOc3cccc4c3OC(C)(C)C4)c2O1 ZINC000040086424 569486635 /nfs/dbraw/zinc/48/66/35/569486635.db2.gz QGLBYISORJFNPI-UHFFFAOYSA-N 0 0 440.540 3.871 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccsc3)CC2)c1 ZINC000040110519 569488721 /nfs/dbraw/zinc/48/87/21/569488721.db2.gz XXLBMYXAYPMRJA-NRFANRHFSA-N 0 0 428.554 3.981 50 0 IHAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1C)C2=O ZINC000040111562 569488871 /nfs/dbraw/zinc/48/88/71/569488871.db2.gz CGJPORMZDSJHJI-UHFFFAOYSA-N 0 0 428.577 3.917 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000040118642 569489273 /nfs/dbraw/zinc/48/92/73/569489273.db2.gz WNRJADQNDCKGIY-HXUWFJFHSA-N 0 0 442.629 3.539 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CCC(=O)Nc1ccc(F)cc1 ZINC000040127564 569489734 /nfs/dbraw/zinc/48/97/34/569489734.db2.gz CGGUFLZERHZFIS-UHFFFAOYSA-N 0 0 435.908 3.917 50 0 IHAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)c1 ZINC000008954822 569490055 /nfs/dbraw/zinc/49/00/55/569490055.db2.gz SDVQPURBYRUFCW-UHFFFAOYSA-N 0 0 437.506 3.924 50 0 IHAARN COc1ccc(-c2nn(CC(=O)N3CCCc4ccccc43)c(=O)c3nc(C)sc32)cc1 ZINC000008955339 569490107 /nfs/dbraw/zinc/49/01/07/569490107.db2.gz GYXUQYNIFLNGRN-UHFFFAOYSA-N 0 0 446.532 3.816 50 0 IHAARN CCc1ccc(-c2nn(CC(=O)N3CCc4ccccc43)c(=O)c3nc(C)sc32)cc1 ZINC000008956078 569490222 /nfs/dbraw/zinc/49/02/22/569490222.db2.gz YBXNCAUBBHJGPE-UHFFFAOYSA-N 0 0 430.533 3.980 50 0 IHAARN COCC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 ZINC000040132810 569490421 /nfs/dbraw/zinc/49/04/21/569490421.db2.gz JPKGNBNHUYRTOL-UHFFFAOYSA-N 0 0 428.439 3.533 50 0 IHAARN CC(=O)N(C)Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000040133680 569490442 /nfs/dbraw/zinc/49/04/42/569490442.db2.gz JPPONQTYCOOPFZ-UHFFFAOYSA-N 0 0 426.467 3.927 50 0 IHAARN CSc1ccc(N2C[C@@H](C(=O)Nc3cccc(OCCn4ccnc4)c3)CC2=O)cc1 ZINC000040134887 569490554 /nfs/dbraw/zinc/49/05/54/569490554.db2.gz QCHMTURDSJSYEJ-KRWDZBQOSA-N 0 0 436.537 3.676 50 0 IHAARN Cn1ccnc1COc1ccc(COC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000040134861 569490568 /nfs/dbraw/zinc/49/05/68/569490568.db2.gz IZSQXMMQLZZFGR-UHFFFAOYSA-N 0 0 436.443 3.864 50 0 IHAARN COc1ccccc1CNC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965350 569491437 /nfs/dbraw/zinc/49/14/37/569491437.db2.gz TVBBUOOIUGCGGD-UHFFFAOYSA-N 0 0 444.535 3.909 50 0 IHAARN COc1ccc(CNC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965335 569491444 /nfs/dbraw/zinc/49/14/44/569491444.db2.gz OEUMOKGYHYTMOE-UHFFFAOYSA-N 0 0 444.535 3.909 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)nc2n1 ZINC000008965851 569491559 /nfs/dbraw/zinc/49/15/59/569491559.db2.gz RVTKOOOITHTRFL-OAHLLOKOSA-N 0 0 438.538 3.866 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1N)c1ccc2c(c1)CCCC2 ZINC000008966401 569491757 /nfs/dbraw/zinc/49/17/57/569491757.db2.gz GEHBNWOOELAFIX-AWEZNQCLSA-N 0 0 425.533 3.646 50 0 IHAARN O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000008968161 569491761 /nfs/dbraw/zinc/49/17/61/569491761.db2.gz YGHMUOWGYGHSQU-QGZVFWFLSA-N 0 0 443.518 3.520 50 0 IHAARN C[C@H](SCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000040144435 569492052 /nfs/dbraw/zinc/49/20/52/569492052.db2.gz FXEOHLJWELKSKF-INIZCTEOSA-N 0 0 426.538 3.914 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](c3nccn3C)c3ccccc3)C2)c1 ZINC000040150803 569493205 /nfs/dbraw/zinc/49/32/05/569493205.db2.gz BMUAHIMZSQCWRJ-UNMCSNQZSA-N 0 0 431.540 3.878 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1c(C)nn2cccnc12 ZINC000040150779 569493211 /nfs/dbraw/zinc/49/32/11/569493211.db2.gz XPLFSEPFVUQXFG-UHFFFAOYSA-N 0 0 431.452 3.560 50 0 IHAARN Cc1noc(C2CCN(CC(=O)N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)CC2)n1 ZINC000040156393 569494117 /nfs/dbraw/zinc/49/41/17/569494117.db2.gz BUSAATUOIXPLLJ-NRFANRHFSA-N 0 0 433.512 3.837 50 0 IHAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n1C ZINC000008981180 569494445 /nfs/dbraw/zinc/49/44/45/569494445.db2.gz GYXGLYJZMZGQJM-CQSZACIVSA-N 0 0 436.537 3.763 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000008987845 569494903 /nfs/dbraw/zinc/49/49/03/569494903.db2.gz IGQDEWYRILESNH-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)CCC(=O)c3cc(C)sc3C)CC2)c1 ZINC000040160807 569495156 /nfs/dbraw/zinc/49/51/56/569495156.db2.gz NCVQPFZWEAVUGU-UHFFFAOYSA-N 0 0 430.570 3.689 50 0 IHAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000008992719 569495386 /nfs/dbraw/zinc/49/53/86/569495386.db2.gz FKBQPWYWUKOMRT-NRFANRHFSA-N 0 0 438.553 3.715 50 0 IHAARN CC(C)c1nc2sc3c(ncn(CC(=O)Nc4nccs4)c3=O)c2c2c1CCC2 ZINC000008993505 569495420 /nfs/dbraw/zinc/49/54/20/569495420.db2.gz AKSMPQAXGKOIJE-UHFFFAOYSA-N 0 0 425.539 3.714 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000008993229 569495441 /nfs/dbraw/zinc/49/54/41/569495441.db2.gz NRZFJTZYHLYOTF-KRWDZBQOSA-N 0 0 447.988 3.980 50 0 IHAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000008994508 569495528 /nfs/dbraw/zinc/49/55/28/569495528.db2.gz CIIXYWZZXAIYLF-HXUWFJFHSA-N 0 0 435.557 3.761 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008995533 569495602 /nfs/dbraw/zinc/49/56/02/569495602.db2.gz JFEAFFONOQIWPJ-RUZDIDTESA-N 0 0 433.435 3.604 50 0 IHAARN C[C@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009031701 569497143 /nfs/dbraw/zinc/49/71/43/569497143.db2.gz ZNYFIVBKLHBDGY-KRWDZBQOSA-N 0 0 433.460 3.856 50 0 IHAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 ZINC000245093463 569497257 /nfs/dbraw/zinc/49/72/57/569497257.db2.gz ROLQDHQYWPITIO-OAHLLOKOSA-N 0 0 438.427 3.975 50 0 IHAARN CC(C)c1cc2c(nc(CSCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2=O)s1 ZINC000040288555 569498419 /nfs/dbraw/zinc/49/84/19/569498419.db2.gz LDZIFZGTZJFHAV-UHFFFAOYSA-N 0 0 431.539 3.751 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000009051163 569498755 /nfs/dbraw/zinc/49/87/55/569498755.db2.gz KPLKJZDKEAERDX-CQSZACIVSA-N 0 0 433.493 3.843 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 ZINC000040310023 569498791 /nfs/dbraw/zinc/49/87/91/569498791.db2.gz ULRJHSKCEZZPNC-UHFFFAOYSA-N 0 0 440.477 3.899 50 0 biogenic IHAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4ccco4)ccc3c2=O)cc1OC ZINC000009053093 569498792 /nfs/dbraw/zinc/49/87/92/569498792.db2.gz APATUGBCBUIXOL-UHFFFAOYSA-N 0 0 435.432 3.765 50 0 biogenic IHAARN CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)n2)cc1 ZINC000009056580 569499099 /nfs/dbraw/zinc/49/90/99/569499099.db2.gz IUZOLDYVCFPWKG-JLCFBVMHSA-N 0 0 426.542 3.812 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccccc1F ZINC000040355967 569499839 /nfs/dbraw/zinc/49/98/39/569499839.db2.gz DXYXOUKRSKNIHZ-UHFFFAOYSA-N 0 0 428.464 3.636 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000009076700 569500358 /nfs/dbraw/zinc/50/03/58/569500358.db2.gz NKGBQJQMGMQYJT-UHFFFAOYSA-N 0 0 446.507 3.849 50 0 IHAARN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000009098061 569501516 /nfs/dbraw/zinc/50/15/16/569501516.db2.gz XSQNKPKEZXPVJJ-VGSWGCGISA-N 0 0 435.524 3.796 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245257866 569501625 /nfs/dbraw/zinc/50/16/25/569501625.db2.gz FPYQCJFUHQMIOO-QMTMVMCOSA-N 0 0 434.558 3.514 50 0 IHAARN O=C(NC1=NCCS1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009101329 569501754 /nfs/dbraw/zinc/50/17/54/569501754.db2.gz MAMGWSMKIVLSKT-UHFFFAOYSA-N 0 0 428.464 3.621 50 0 IHAARN O=C(NC1=NCCS1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101945 569501773 /nfs/dbraw/zinc/50/17/73/569501773.db2.gz GPMHIBVYBCNOJJ-UHFFFAOYSA-N 0 0 428.464 3.621 50 0 IHAARN Cc1nc2c3cc4c(nc3sc2c(=O)n1CC(=O)Nc1ccccc1)CC(C)(C)OC4 ZINC000009111444 569502269 /nfs/dbraw/zinc/50/22/69/569502269.db2.gz YJBJSPXCBBJTGF-UHFFFAOYSA-N 0 0 434.521 3.805 50 0 IHAARN CCC(=O)N(c1nnc(SCc2nc(N)nc(Nc3ccccc3C)n2)s1)C1CC1 ZINC000009111825 569502310 /nfs/dbraw/zinc/50/23/10/569502310.db2.gz WTRNTHRSSMZHTB-UHFFFAOYSA-N 0 0 442.574 3.555 50 0 IHAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(F)cc1F ZINC000009118366 569503305 /nfs/dbraw/zinc/50/33/05/569503305.db2.gz UBZNAVYIGVSHMP-UHFFFAOYSA-N 0 0 445.491 3.509 50 0 IHAARN COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1OCc1c(C)noc1C ZINC000009119638 569503547 /nfs/dbraw/zinc/50/35/47/569503547.db2.gz MDDGKZBVSLFZCR-UHFFFAOYSA-N 0 0 441.509 3.780 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1C ZINC000009120085 569503729 /nfs/dbraw/zinc/50/37/29/569503729.db2.gz MKLVHUMMQRDIRG-ZIAGYGMSSA-N 0 0 431.558 3.753 50 0 IHAARN COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009124001 569504316 /nfs/dbraw/zinc/50/43/16/569504316.db2.gz TWGPXKOWBGAJHP-WNSKOXEYSA-N 0 0 435.480 3.524 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(CC(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000009125028 569504509 /nfs/dbraw/zinc/50/45/09/569504509.db2.gz QSGUQAMJVDLCKG-GOSISDBHSA-N 0 0 435.524 3.867 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000009125055 569504560 /nfs/dbraw/zinc/50/45/60/569504560.db2.gz VDCOPGWTIZXQIU-SFHVURJKSA-N 0 0 436.599 3.600 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)COc2ccc3c(c2)CCC3)c1C ZINC000009125781 569504724 /nfs/dbraw/zinc/50/47/24/569504724.db2.gz YDGOSZMCNWZUSF-HSZRJFAPSA-N 0 0 436.552 3.817 50 0 IHAARN COc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1S(N)(=O)=O ZINC000009126061 569504831 /nfs/dbraw/zinc/50/48/31/569504831.db2.gz DIGYSVXDZZOOOQ-FQEVSTJZSA-N 0 0 428.535 3.815 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)NCCC3=CCCCC3)o2)cc(OC)c1OC ZINC000009128253 569505386 /nfs/dbraw/zinc/50/53/86/569505386.db2.gz IABICAWVWDKIRF-UHFFFAOYSA-N 0 0 433.530 3.861 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000009128920 569505556 /nfs/dbraw/zinc/50/55/56/569505556.db2.gz FEMTXXDIGQWSDI-UHFFFAOYSA-N 0 0 437.566 3.611 50 0 IHAARN CC(=O)N(c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1)c1ccc(C)c(C)c1 ZINC000009128874 569505601 /nfs/dbraw/zinc/50/56/01/569505601.db2.gz DTUNUVIWXLILSQ-UHFFFAOYSA-N 0 0 440.525 3.678 50 0 IHAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1nn(-c2ccccc2)ccc1=O ZINC000009130347 569505962 /nfs/dbraw/zinc/50/59/62/569505962.db2.gz TUNMTTLGGXTJBU-UHFFFAOYSA-N 0 0 439.497 3.768 50 0 IHAARN O=C(CCCCCNC(=O)N1CCn2c3ccccc3nc21)NCCCc1ccccc1 ZINC000009130490 569506037 /nfs/dbraw/zinc/50/60/37/569506037.db2.gz OVWKXWSLRKGIKH-UHFFFAOYSA-N 0 0 433.556 3.875 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)Nc3cc(F)ccc3F)c(Br)cc2C[C@@H]1C ZINC000040450559 569506330 /nfs/dbraw/zinc/50/63/30/569506330.db2.gz AFISXOYUVXUDJK-VIFPVBQESA-N 0 0 445.285 3.826 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 ZINC000040478462 569506801 /nfs/dbraw/zinc/50/68/01/569506801.db2.gz UILBLOWMEHVXMS-UHFFFAOYSA-N 0 0 427.504 3.775 50 0 IHAARN Cc1cccc(NC(=O)COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c1C ZINC000009136216 569507156 /nfs/dbraw/zinc/50/71/56/569507156.db2.gz PRQHCYBIKYCYOF-UHFFFAOYSA-N 0 0 441.487 3.857 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009169018 569509152 /nfs/dbraw/zinc/50/91/52/569509152.db2.gz FOJBSDWAUDLFGM-UHFFFAOYSA-N 0 0 431.514 3.501 50 0 IHAARN O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000009171399 569509360 /nfs/dbraw/zinc/50/93/60/569509360.db2.gz FOZNRUBLBFCBPO-QGZVFWFLSA-N 0 0 449.985 3.529 50 0 IHAARN CCCN1c2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc2OCC(C)(C)C1=O ZINC000009171943 569509448 /nfs/dbraw/zinc/50/94/48/569509448.db2.gz MJXIGBMTZDDBLY-UHFFFAOYSA-N 0 0 436.505 3.797 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000009184937 569509980 /nfs/dbraw/zinc/50/99/80/569509980.db2.gz IVIZFPPZXFBPMZ-WZYRSQIMSA-N 0 0 439.446 3.587 50 0 IHAARN COC(=O)c1c(NC(=O)NCCc2ccc(OC)c(OC)c2)sc2c1CC(C)(C)OC2 ZINC000009186413 569510211 /nfs/dbraw/zinc/51/02/11/569510211.db2.gz DWFJWQVKFOWZNA-UHFFFAOYSA-N 0 0 448.541 3.767 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009197470 569511033 /nfs/dbraw/zinc/51/10/33/569511033.db2.gz PKSKICXSGIJVHW-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(C[C@H]2c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000069652383 569511504 /nfs/dbraw/zinc/51/15/04/569511504.db2.gz NOSOXBLGCFJNIM-INIZCTEOSA-N 0 0 448.932 3.953 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CN(CCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000009215759 569512056 /nfs/dbraw/zinc/51/20/56/569512056.db2.gz FNRVNTMMAYSUDF-UHFFFAOYSA-N 0 0 426.542 3.726 50 0 IHAARN CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Br)cc1 ZINC000009216368 569512167 /nfs/dbraw/zinc/51/21/67/569512167.db2.gz VWXLTEARPYDCAD-UWJYYQICSA-N 0 0 427.298 3.623 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009217888 569512297 /nfs/dbraw/zinc/51/22/97/569512297.db2.gz MLYHKSVRWBEVDC-UHFFFAOYSA-N 0 0 445.430 3.802 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009217512 569512308 /nfs/dbraw/zinc/51/23/08/569512308.db2.gz ZJRZDRBOXOMUOS-UPVQGACJSA-N 0 0 449.551 3.916 50 0 IHAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(CCC(N)=O)n3C)c3ccccc3)c[nH]c21 ZINC000009219108 569512422 /nfs/dbraw/zinc/51/24/22/569512422.db2.gz UKWSNWQIIKBICX-HSZRJFAPSA-N 0 0 447.564 3.993 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CSc3nccn3-c3ccccc3C)CC2)cc1 ZINC000009218904 569512457 /nfs/dbraw/zinc/51/24/57/569512457.db2.gz ZPRJGYXMOIIQLG-UHFFFAOYSA-N 0 0 434.565 3.824 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000009226044 569513258 /nfs/dbraw/zinc/51/32/58/569513258.db2.gz MNOMTZNJRFIDJS-BXUZGUMPSA-N 0 0 439.379 3.737 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)c1 ZINC000009226375 569513296 /nfs/dbraw/zinc/51/32/96/569513296.db2.gz UYAJDMJDHNVVCK-CABCVRRESA-N 0 0 432.567 3.785 50 0 IHAARN Cc1cccc(-c2noc(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)c1 ZINC000009227097 569513337 /nfs/dbraw/zinc/51/33/37/569513337.db2.gz LNWSFVFTLPXAGM-UHFFFAOYSA-N 0 0 446.507 3.858 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239203 569514467 /nfs/dbraw/zinc/51/44/67/569514467.db2.gz WFIRXHUAWQCWGW-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(F)cc2)cc1 ZINC000009239316 569514516 /nfs/dbraw/zinc/51/45/16/569514516.db2.gz KHBYPWIZBOQYLB-OALUTQOASA-N 0 0 427.505 3.776 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000009244662 569515168 /nfs/dbraw/zinc/51/51/68/569515168.db2.gz DSQWKHZZBURVTK-UHFFFAOYSA-N 0 0 434.279 3.661 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)ccc1O ZINC000009249743 569515507 /nfs/dbraw/zinc/51/55/07/569515507.db2.gz KWISPVTXVWUUJM-MRXNPFEDSA-N 0 0 437.521 3.651 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ncc(C(N)=O)s3)c3ccccc3n2)cc1OC ZINC000009254862 569516419 /nfs/dbraw/zinc/51/64/19/569516419.db2.gz XOJYCTRGBRKKMD-UHFFFAOYSA-N 0 0 434.477 3.727 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(F)c(Cl)c2)c1 ZINC000009255615 569516610 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CCOc1cc(-c2nnc(NC(=O)COc3ccccc3)o2)cc(OCC)c1OCC ZINC000009274857 569518325 /nfs/dbraw/zinc/51/83/25/569518325.db2.gz GIKHZYCKCZYAAO-UHFFFAOYSA-N 0 0 427.457 3.950 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@H]1CCCc2ccccc21 ZINC000009276310 569518401 /nfs/dbraw/zinc/51/84/01/569518401.db2.gz NDJDGWVYTHLDGM-QFIPXVFZSA-N 0 0 437.565 3.620 50 0 IHAARN CC(C)c1nc2sc3c(ncnc3N(C[C@H](C)O)C[C@H](C)O)c2c2c1COC(C)(C)C2 ZINC000009281670 569518608 /nfs/dbraw/zinc/51/86/08/569518608.db2.gz NXAUCXXODAHPJW-KBPBESRZSA-N 0 0 444.601 3.782 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(OC(F)F)c(OC)c2)n1 ZINC000009284082 569519044 /nfs/dbraw/zinc/51/90/44/569519044.db2.gz NXWASFLKNZNHSE-UHFFFAOYSA-N 0 0 445.426 3.727 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)OC(C)(C)C)n(-c1ccccc1)c2=O ZINC000009284379 569519082 /nfs/dbraw/zinc/51/90/82/569519082.db2.gz DTPFKXKKDINUAS-UHFFFAOYSA-N 0 0 426.494 3.606 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc2c(c1)OCO2 ZINC000009290006 569519693 /nfs/dbraw/zinc/51/96/93/569519693.db2.gz LFCKYNAIWDLBKK-GFCCVEGCSA-N 0 0 431.543 3.886 50 0 IHAARN COc1ccc(OC)c([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)c1 ZINC000009291931 569519943 /nfs/dbraw/zinc/51/99/43/569519943.db2.gz UEEWQXWRWFFPTO-BJKOFHAPSA-N 0 0 439.475 3.903 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C ZINC000009302387 569520829 /nfs/dbraw/zinc/52/08/29/569520829.db2.gz ADFGSGZNLOMWHG-UHFFFAOYSA-N 0 0 447.586 3.905 50 0 IHAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4nnc(C5CC5)s4)n3C)oc21 ZINC000009302690 569520872 /nfs/dbraw/zinc/52/08/72/569520872.db2.gz BXJAPQLEZRVXDD-UHFFFAOYSA-N 0 0 442.526 3.697 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3OC)n2C)cc1OC ZINC000009303813 569521088 /nfs/dbraw/zinc/52/10/88/569521088.db2.gz FWKCUVMLZGKVBN-UHFFFAOYSA-N 0 0 443.525 3.703 50 0 IHAARN COc1cc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc(OC)c1OC ZINC000009305289 569521217 /nfs/dbraw/zinc/52/12/17/569521217.db2.gz LDAGYEGPYYUKJT-UHFFFAOYSA-N 0 0 427.453 3.625 50 0 IHAARN CCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C)cc2C)cc1 ZINC000009307859 569521438 /nfs/dbraw/zinc/52/14/38/569521438.db2.gz FDUCFXKBSSQGTI-UHFFFAOYSA-N 0 0 427.508 3.522 50 0 IHAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1OC ZINC000009309771 569521652 /nfs/dbraw/zinc/52/16/52/569521652.db2.gz CIKPGHUYVVGOQZ-ZEQRLZLVSA-N 0 0 439.475 3.903 50 0 IHAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009309807 569521657 /nfs/dbraw/zinc/52/16/57/569521657.db2.gz XVQRXKPXDKBDBP-XZOQPEGZSA-N 0 0 437.459 3.672 50 0 IHAARN Cc1ccccc1-n1c(SCc2nc(-c3ccccc3)no2)nnc1N1CCOCC1 ZINC000009338551 569523658 /nfs/dbraw/zinc/52/36/58/569523658.db2.gz DLIPSMLWWQZUQF-UHFFFAOYSA-N 0 0 434.525 3.755 50 0 IHAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000009341319 569523917 /nfs/dbraw/zinc/52/39/17/569523917.db2.gz JCBLAQDTDSAIBQ-BJMVGYQFSA-N 0 0 437.905 3.956 50 0 IHAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 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CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(C)=O ZINC000009381611 569528167 /nfs/dbraw/zinc/52/81/67/569528167.db2.gz VVTATDZIZYCOJB-UHFFFAOYSA-N 0 0 425.388 3.601 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 ZINC000009382237 569528251 /nfs/dbraw/zinc/52/82/51/569528251.db2.gz UWTZXGKBAWLFAY-IBGZPJMESA-N 0 0 439.493 3.651 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1c[nH]c2ccccc21 ZINC000009382326 569528295 /nfs/dbraw/zinc/52/82/95/569528295.db2.gz ZNJXEIDSVORJRM-UHFFFAOYSA-N 0 0 437.525 3.812 50 0 IHAARN C[C@@H](NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000009387918 569528502 /nfs/dbraw/zinc/52/85/02/569528502.db2.gz XYTLIVUVADFOJI-GOSISDBHSA-N 0 0 446.503 3.644 50 0 IHAARN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000070014871 569528571 /nfs/dbraw/zinc/52/85/71/569528571.db2.gz MCIRFUDRBMVJMO-MRXNPFEDSA-N 0 0 445.397 3.560 50 0 IHAARN CCN1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000009390608 569528703 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569557596 /nfs/dbraw/zinc/55/75/96/569557596.db2.gz BWEKNFQDCGOCRG-UHFFFAOYSA-N 0 0 430.551 3.507 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)ccc21 ZINC000009666763 569557806 /nfs/dbraw/zinc/55/78/06/569557806.db2.gz AUMFSFOUPZIQCI-UHFFFAOYSA-N 0 0 449.528 3.892 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009668153 569557942 /nfs/dbraw/zinc/55/79/42/569557942.db2.gz OGLCREQWACQTDB-UHFFFAOYSA-N 0 0 437.974 3.580 50 0 IHAARN Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)NCc1ccccc1 ZINC000009669678 569558136 /nfs/dbraw/zinc/55/81/36/569558136.db2.gz DYRALDISOAKZPD-UHFFFAOYSA-N 0 0 447.560 3.927 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)CC2=O)c1C ZINC000009670229 569558298 /nfs/dbraw/zinc/55/82/98/569558298.db2.gz QROMCLXHEFWQSN-OAHLLOKOSA-N 0 0 443.429 3.895 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000009670382 569558305 /nfs/dbraw/zinc/55/83/05/569558305.db2.gz UTLQJIMZLFGOHR-UHFFFAOYSA-N 0 0 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CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccco3)C2)cc1 ZINC000009673715 569558987 /nfs/dbraw/zinc/55/89/87/569558987.db2.gz HUDURDYMNQYWKL-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)c(C)c1 ZINC000009677998 569559577 /nfs/dbraw/zinc/55/95/77/569559577.db2.gz UQKGYBNMCQDITC-UHFFFAOYSA-N 0 0 426.908 3.638 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)N[C@H](C)CCc1ccccc1)C(=O)CS2 ZINC000009687006 569560748 /nfs/dbraw/zinc/56/07/48/569560748.db2.gz SMHGUNHIYWLQOF-QGZVFWFLSA-N 0 0 434.565 3.757 50 0 IHAARN CC(C)c1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 ZINC000009703559 569561369 /nfs/dbraw/zinc/56/13/69/569561369.db2.gz AYSPSWMYGOJJPW-QHCPKHFHSA-N 0 0 444.597 3.958 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c1 ZINC000009704072 569561421 /nfs/dbraw/zinc/56/14/21/569561421.db2.gz XUIJGMJFKBLXFM-UHFFFAOYSA-N 0 0 442.899 3.848 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c3ccco3)n2)cc1 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CCc1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)n1-n1cccc1 ZINC000009737789 569564822 /nfs/dbraw/zinc/56/48/22/569564822.db2.gz PUUCVKFUCUYBJI-UHFFFAOYSA-N 0 0 440.554 3.816 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000009740663 569565126 /nfs/dbraw/zinc/56/51/26/569565126.db2.gz VMPQXNCXAIGNHO-UHFFFAOYSA-N 0 0 447.944 3.504 50 0 IHAARN COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)cc1 ZINC000009743695 569565490 /nfs/dbraw/zinc/56/54/90/569565490.db2.gz HJHDIPYMHCKDJJ-UHFFFAOYSA-N 0 0 436.903 3.970 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2ccccc2OC)c1=O ZINC000009761469 569566261 /nfs/dbraw/zinc/56/62/61/569566261.db2.gz QEAKCKMKCKNODA-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN Cc1cc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)ccc1Br ZINC000009761419 569566288 /nfs/dbraw/zinc/56/62/88/569566288.db2.gz GDHUMHSJIGAECA-UHFFFAOYSA-N 0 0 436.375 3.844 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1ccc(Br)cc1 ZINC000009761880 569566385 /nfs/dbraw/zinc/56/63/85/569566385.db2.gz 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/nfs/dbraw/zinc/56/92/55/569569255.db2.gz WMJGLMKDLKNDDG-UHFFFAOYSA-N 0 0 426.513 3.913 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000009816724 569569260 /nfs/dbraw/zinc/56/92/60/569569260.db2.gz VAHZVZARSMXEGX-CQSZACIVSA-N 0 0 443.521 3.655 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000009817183 569569279 /nfs/dbraw/zinc/56/92/79/569569279.db2.gz IMABGQIOGQFFCA-UHFFFAOYSA-N 0 0 429.519 3.915 50 0 IHAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(I)c1 ZINC000009819934 569569398 /nfs/dbraw/zinc/56/93/98/569569398.db2.gz GKJWKJMVAUAUSW-UHFFFAOYSA-N 0 0 432.217 3.635 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)NCc1cccs1 ZINC000009823095 569569559 /nfs/dbraw/zinc/56/95/59/569569559.db2.gz VKZFLTHMROEAII-UHFFFAOYSA-N 0 0 446.507 3.917 50 0 IHAARN O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009823919 569569633 /nfs/dbraw/zinc/56/96/33/569569633.db2.gz USBXNSGODQAHLI-IBGZPJMESA-N 0 0 445.541 3.665 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1 ZINC000009829105 569569970 /nfs/dbraw/zinc/56/99/70/569569970.db2.gz PEJWUSCVNXICKZ-UHFFFAOYSA-N 0 0 433.537 3.559 50 0 IHAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)COc3ccc(Cl)cc3)co2)n1 ZINC000009829280 569569995 /nfs/dbraw/zinc/56/99/95/569569995.db2.gz HYNLKUIAQKVZTE-UHFFFAOYSA-N 0 0 432.885 3.977 50 0 IHAARN COc1ccc(/C=C/C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1OC ZINC000009829273 569570019 /nfs/dbraw/zinc/57/00/19/569570019.db2.gz NFTMZBUMVOBIAR-FNORWQNLSA-N 0 0 440.477 3.667 50 0 IHAARN CCc1nnc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)s1 ZINC000009831640 569570198 /nfs/dbraw/zinc/57/01/98/569570198.db2.gz HWVSBNRJHKFXFR-UHFFFAOYSA-N 0 0 431.934 3.589 50 0 IHAARN COc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)cc1 ZINC000009845513 569570977 /nfs/dbraw/zinc/57/09/77/569570977.db2.gz HMJQWISVRZAAEN-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009867403 569572250 /nfs/dbraw/zinc/57/22/50/569572250.db2.gz 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COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccccc3C)C2=O)cc1 ZINC000009926327 569573626 /nfs/dbraw/zinc/57/36/26/569573626.db2.gz NLRPMVDQJWWFJH-SANMLTNESA-N 0 0 431.488 3.890 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 ZINC000071327952 569575425 /nfs/dbraw/zinc/57/54/25/569575425.db2.gz USNSEWBFVRBQIZ-UHFFFAOYSA-N 0 0 433.508 3.794 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009962998 569575670 /nfs/dbraw/zinc/57/56/70/569575670.db2.gz IWZJZJVASCQQEY-HNNXBMFYSA-N 0 0 435.431 3.591 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Br)c1 ZINC000009963100 569575769 /nfs/dbraw/zinc/57/57/69/569575769.db2.gz HWACVUXVEULNDF-UHFFFAOYSA-N 0 0 443.388 3.615 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000009971452 569576247 /nfs/dbraw/zinc/57/62/47/569576247.db2.gz JVJSVONCMLORRZ-UHFFFAOYSA-N 0 0 435.567 3.747 50 0 IHAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCc1ccccn1 ZINC000009971917 569576313 /nfs/dbraw/zinc/57/63/13/569576313.db2.gz NURXJRGCDBJYCO-UHFFFAOYSA-N 0 0 433.537 3.825 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCC[C@H]5CCCC[C@@H]54)C3=O)ccc2c1 ZINC000009992380 569576912 /nfs/dbraw/zinc/57/69/12/569576912.db2.gz VIDLKWSEZOTMTO-DRKZVIBPSA-N 0 0 449.551 3.797 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@H]1CCSc2ccccc21 ZINC000009993366 569576925 /nfs/dbraw/zinc/57/69/25/569576925.db2.gz NLUQMDBQDRSFOR-AWEZNQCLSA-N 0 0 427.507 3.911 50 0 IHAARN CCOC(=O)c1sc2nc(C)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1C ZINC000010013056 569577080 /nfs/dbraw/zinc/57/70/80/569577080.db2.gz JXYYVLLDVTYFKX-UHFFFAOYSA-N 0 0 437.880 3.683 50 0 IHAARN CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000010030693 569577316 /nfs/dbraw/zinc/57/73/16/569577316.db2.gz OACWFPUSMZHXMM-UHFFFAOYSA-N 0 0 442.537 3.717 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1C ZINC000010086396 569577692 /nfs/dbraw/zinc/57/76/92/569577692.db2.gz UHIAAAKMABZWAN-UXHICEINSA-N 0 0 432.973 3.593 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000010078045 569577714 /nfs/dbraw/zinc/57/77/14/569577714.db2.gz OLXMNZDPPLJJHZ-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN CCN1c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)c3cccc(c23)C1=O ZINC000010099429 569577750 /nfs/dbraw/zinc/57/77/50/569577750.db2.gz ALKMNOJRABIMAC-UHFFFAOYSA-N 0 0 449.532 3.855 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000010107342 569577967 /nfs/dbraw/zinc/57/79/67/569577967.db2.gz IFPSDRVTPMVYGP-FMIVXFBMSA-N 0 0 442.523 3.566 50 0 IHAARN O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010115509 569578039 /nfs/dbraw/zinc/57/80/39/569578039.db2.gz ZEKAVZAPNGHSLN-UHFFFAOYSA-N 0 0 448.488 3.729 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccccc1F ZINC000010166139 569578180 /nfs/dbraw/zinc/57/81/80/569578180.db2.gz ILXDEXNJHMNZSX-OAQYLSRUSA-N 0 0 448.494 3.796 50 0 IHAARN CC(=O)c1ccccc1OCCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 ZINC000010200930 569578903 /nfs/dbraw/zinc/57/89/03/569578903.db2.gz FOMNVNHXPAKCOW-UHFFFAOYSA-N 0 0 442.516 3.617 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000010228644 569579295 /nfs/dbraw/zinc/57/92/95/569579295.db2.gz ZHPHUFCYGXRIDZ-MRXNPFEDSA-N 0 0 439.523 3.890 50 0 IHAARN C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000010241285 569579732 /nfs/dbraw/zinc/57/97/32/569579732.db2.gz PSRFEAKVWOIJLV-JTQLQIEISA-N 0 0 432.828 3.773 50 0 IHAARN CCCCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271855 569580047 /nfs/dbraw/zinc/58/00/47/569580047.db2.gz HHXIFKRSJQUMQY-UHFFFAOYSA-N 0 0 433.434 3.656 50 0 IHAARN Cc1c(C)n(C(C)C)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n12 ZINC000010271919 569580153 /nfs/dbraw/zinc/58/01/53/569580153.db2.gz NHFNHDHCNUOIKG-UHFFFAOYSA-N 0 0 434.327 3.702 50 0 IHAARN CCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1 ZINC000071768317 569580697 /nfs/dbraw/zinc/58/06/97/569580697.db2.gz AVJUBFAWUYVTKC-UHFFFAOYSA-N 0 0 432.484 3.769 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)c2)n1 ZINC000071768455 569580735 /nfs/dbraw/zinc/58/07/35/569580735.db2.gz IUAXNBYYZWKHNV-UHFFFAOYSA-N 0 0 440.866 3.992 50 0 IHAARN Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2s1 ZINC000010337563 569581316 /nfs/dbraw/zinc/58/13/16/569581316.db2.gz IXNMFSBLEYNWFI-UHFFFAOYSA-N 0 0 429.567 3.953 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(cccc4C)s3)CC2)cc1 ZINC000010337555 569581344 /nfs/dbraw/zinc/58/13/44/569581344.db2.gz VHUMQJPRYKWQPZ-UHFFFAOYSA-N 0 0 429.567 3.953 50 0 IHAARN CCCCC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000010399844 569581859 /nfs/dbraw/zinc/58/18/59/569581859.db2.gz IYXHTMXVBLYQJJ-QGZVFWFLSA-N 0 0 427.636 3.823 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC(=O)NC1CC1 ZINC000010394981 569581876 /nfs/dbraw/zinc/58/18/76/569581876.db2.gz CSGMNEIRAYTMIV-GFCCVEGCSA-N 0 0 443.479 3.681 50 0 IHAARN COc1ccc(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1OC ZINC000010452287 569582319 /nfs/dbraw/zinc/58/23/19/569582319.db2.gz SVRNTUJVDFFSSW-UHFFFAOYSA-N 0 0 425.466 3.620 50 0 IHAARN CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1cccs1 ZINC000010491678 569582598 /nfs/dbraw/zinc/58/25/98/569582598.db2.gz DWDRVCUNYMRPAD-UHFFFAOYSA-N 0 0 438.477 3.869 50 0 IHAARN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000010514137 569582672 /nfs/dbraw/zinc/58/26/72/569582672.db2.gz RMNVKSKVLDKVIZ-UHFFFAOYSA-N 0 0 439.603 3.648 50 0 IHAARN COC(=O)c1nc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)sc1C(C)C ZINC000072401467 569583764 /nfs/dbraw/zinc/58/37/64/569583764.db2.gz GNLRBHFYHAEUHP-UHFFFAOYSA-N 0 0 428.514 3.525 50 0 IHAARN COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)sc1C(C)C ZINC000095475011 569583773 /nfs/dbraw/zinc/58/37/73/569583773.db2.gz HNBGWQFOSJUFPL-UHFFFAOYSA-N 0 0 430.486 3.713 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000016043688 569583901 /nfs/dbraw/zinc/58/39/01/569583901.db2.gz SJERCWNXOBZDAK-OAQYLSRUSA-N 0 0 438.528 3.857 50 0 IHAARN COc1ccc(OC)c2[nH]c(C(=O)NCCCC(=O)Nc3nc4ccccc4s3)cc21 ZINC000013727846 569584590 /nfs/dbraw/zinc/58/45/90/569584590.db2.gz VXLRVLPUDPDTNX-UHFFFAOYSA-N 0 0 438.509 3.944 50 0 IHAARN Cc1c(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000077158739 569585720 /nfs/dbraw/zinc/58/57/20/569585720.db2.gz SUVMATUSDNXDPY-UHFFFAOYSA-N 0 0 440.551 3.502 50 0 IHAARN O=C1c2cc(NS(=O)(=O)Cc3cc(F)cc(F)c3)ccc2OCC[C@H]2CCCCN12 ZINC000077200953 569586530 /nfs/dbraw/zinc/58/65/30/569586530.db2.gz DCTBBVMUSMMPPI-GOSISDBHSA-N 0 0 436.480 3.684 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)n(C)n2)c1 ZINC000077200978 569586624 /nfs/dbraw/zinc/58/66/24/569586624.db2.gz BXCQXCNBNGVYQY-LJQANCHMSA-N 0 0 449.429 3.587 50 0 IHAARN CC(=O)c1ccc(-c2ccc(C=C3C(C)=NN(c4ccc(S(N)(=O)=O)cc4)C3=O)o2)cc1 ZINC000033672657 569587484 /nfs/dbraw/zinc/58/74/84/569587484.db2.gz AYZMJSJKJUUCMZ-FYJGNVAPSA-N 0 0 449.488 3.603 50 0 IHAARN COc1ccccc1CCN1CC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1N ZINC000034769827 569587625 /nfs/dbraw/zinc/58/76/25/569587625.db2.gz OBFJKXPNFFLJEG-UHFFFAOYSA-N 0 0 427.476 3.852 50 0 IHAARN O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1nc(-c2ccc(Cl)c(F)c2)no1 ZINC000035483921 569587684 /nfs/dbraw/zinc/58/76/84/569587684.db2.gz UANRTRPXBCFPBD-UHFFFAOYSA-N 0 0 426.791 3.530 50 0 IHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(C)=O ZINC000036118347 569587836 /nfs/dbraw/zinc/58/78/36/569587836.db2.gz IYKCITJVXDFLIG-LJQANCHMSA-N 0 0 428.554 3.520 50 0 IHAARN COC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1 ZINC000000625339 193860816 /nfs/dbraw/zinc/86/08/16/193860816.db2.gz XQHZGMLPLNTZEE-UHFFFAOYSA-N 0 0 434.315 3.971 50 0 IHAARN O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000000630877 193863503 /nfs/dbraw/zinc/86/35/03/193863503.db2.gz ZOEORTFWWRCFHP-UHFFFAOYSA-N 0 0 449.454 3.509 50 0 IHAARN O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000050647273 193922285 /nfs/dbraw/zinc/92/22/85/193922285.db2.gz BKHSYAVJDJNNFI-WAYWQWQTSA-N 0 0 439.899 3.631 50 0 IHAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O)c1cccc(C)c1 ZINC000051357798 193925671 /nfs/dbraw/zinc/92/56/71/193925671.db2.gz COQDADZGQSZRBV-UHFFFAOYSA-N 0 0 445.494 3.712 50 0 IHAARN CC(C)[C@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)c1nc2ccccc2[nH]1 ZINC000096232150 193939023 /nfs/dbraw/zinc/93/90/23/193939023.db2.gz YLXCFHVEMNHLDF-QFIPXVFZSA-N 0 0 435.915 3.954 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000096230756 193937724 /nfs/dbraw/zinc/93/77/24/193937724.db2.gz PVUZVFFMMRGXRK-FQEVSTJZSA-N 0 0 444.447 3.678 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(Cl)cc3)n(C)c2=O)c1 ZINC000009519075 132232933 /nfs/dbraw/zinc/23/29/33/132232933.db2.gz SQHPWPHPZDEVDT-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(Cl)c3C)n(C)c2=O)cc1 ZINC000009519198 132233034 /nfs/dbraw/zinc/23/30/34/132233034.db2.gz NRKAIWAZBUNWMJ-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(Cl)c3C)n(C)c2=O)c1 ZINC000009519199 132233063 /nfs/dbraw/zinc/23/30/63/132233063.db2.gz FMABBCUREINSAF-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009644446 132234491 /nfs/dbraw/zinc/23/44/91/132234491.db2.gz CWWUEXVJQXUAMU-KRWDZBQOSA-N 0 0 438.553 3.837 50 0 IHAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1 ZINC000000936503 132234642 /nfs/dbraw/zinc/23/46/42/132234642.db2.gz NKHKUHZXFKZLPV-UHFFFAOYSA-N 0 0 438.977 3.957 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009573698 132236145 /nfs/dbraw/zinc/23/61/45/132236145.db2.gz LNQQUYVTAKVUBM-UHFFFAOYSA-N 0 0 440.956 3.940 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 ZINC000009708672 132236885 /nfs/dbraw/zinc/23/68/85/132236885.db2.gz DHDPYMYHOODPNH-UHFFFAOYSA-N 0 0 448.591 3.999 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001151636 132237689 /nfs/dbraw/zinc/23/76/89/132237689.db2.gz NNHGVBSIQYJTBO-UHFFFAOYSA-N 0 0 449.292 3.979 50 0 IHAARN Cc1cccc(OCCCN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1 ZINC000009754140 132244308 /nfs/dbraw/zinc/24/43/08/132244308.db2.gz JGESNFVVJCNREZ-UHFFFAOYSA-N 0 0 438.959 3.785 50 0 IHAARN O=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1nc2ccccc2s1 ZINC000002206365 132248847 /nfs/dbraw/zinc/24/88/47/132248847.db2.gz LIEBNEQNPMWFSP-UHFFFAOYSA-N 0 0 441.919 3.961 50 0 aggregator IHAARN COc1cc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc(OC)c1OC ZINC000002440364 132254538 /nfs/dbraw/zinc/25/45/38/132254538.db2.gz GVWJAGGCRKUJBW-JYJNAYRXSA-N 0 0 425.529 3.897 50 0 IHAARN Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1C ZINC000002616600 132255240 /nfs/dbraw/zinc/25/52/40/132255240.db2.gz UJZYFIMEVXOKOT-UHFFFAOYSA-N 0 0 425.539 3.976 50 0 IHAARN Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 ZINC000002855735 132257803 /nfs/dbraw/zinc/25/78/03/132257803.db2.gz MBTWISYXKGZGSP-UHFFFAOYSA-N 0 0 443.441 3.836 50 0 IHAARN CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccccc4OC)CC3)c(C)c21 ZINC000002925867 132259058 /nfs/dbraw/zinc/25/90/58/132259058.db2.gz WJXUJNDBKCRHHD-UHFFFAOYSA-N 0 0 439.585 3.817 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000003267378 132262892 /nfs/dbraw/zinc/26/28/92/132262892.db2.gz NDXZUWASZWVACR-QHCPKHFHSA-N 0 0 442.515 3.550 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccccc1 ZINC000003271149 132262943 /nfs/dbraw/zinc/26/29/43/132262943.db2.gz IVDTVQSMWOKSIM-UHFFFAOYSA-N 0 0 435.501 3.868 50 0 IHAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003662081 132267168 /nfs/dbraw/zinc/26/71/68/132267168.db2.gz VAZNUMGDNDOVTP-UHFFFAOYSA-N 0 0 439.821 3.616 50 0 biogenic IHAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000003665874 132267512 /nfs/dbraw/zinc/26/75/12/132267512.db2.gz VNMHORFIZRKRSK-VWLOTQADSA-N 0 0 431.492 3.907 50 0 IHAARN CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670476 132267668 /nfs/dbraw/zinc/26/76/68/132267668.db2.gz VITHXFFUGGZPLE-SFHVURJKSA-N 0 0 438.709 3.826 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000004044416 132268921 /nfs/dbraw/zinc/26/89/21/132268921.db2.gz WAZGWWTXVXEAJU-NRFANRHFSA-N 0 0 427.932 3.583 50 0 IHAARN COc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1 ZINC000004057281 132269072 /nfs/dbraw/zinc/26/90/72/132269072.db2.gz NYQRTSOVCKBBGZ-UHFFFAOYSA-N 0 0 448.498 3.681 50 0 IHAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000004109477 132269672 /nfs/dbraw/zinc/26/96/72/132269672.db2.gz OONWFJGRCZHNLQ-UHFFFAOYSA-N 0 0 438.597 3.879 50 0 IHAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000004109418 132269765 /nfs/dbraw/zinc/26/97/65/132269765.db2.gz XRPKLTNDHHUQND-UHFFFAOYSA-N 0 0 444.988 3.916 50 0 IHAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000006077395 132275888 /nfs/dbraw/zinc/27/58/88/132275888.db2.gz YJCOKYTUOVCNNV-UHFFFAOYSA-N 0 0 431.920 3.668 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000006156956 132276343 /nfs/dbraw/zinc/27/63/43/132276343.db2.gz BPWGAJMZJZRDHH-UHFFFAOYSA-N 0 0 445.519 3.675 50 0 IHAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000007496700 132280419 /nfs/dbraw/zinc/28/04/19/132280419.db2.gz UTEYCTYELCYPBU-UHFFFAOYSA-N 0 0 426.513 3.987 50 0 IHAARN COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCC4)c(F)cc3c2=O)cc1 ZINC000008596731 132285239 /nfs/dbraw/zinc/28/52/39/132285239.db2.gz SLGNFIMJWUJEKA-UHFFFAOYSA-N 0 0 430.501 3.509 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000008597459 132285512 /nfs/dbraw/zinc/28/55/12/132285512.db2.gz SMLSEBGVDRMGNK-WJOKGBTCSA-N 0 0 437.565 3.556 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008617254 132288830 /nfs/dbraw/zinc/28/88/30/132288830.db2.gz GXQFVAKHYUHOSY-UHFFFAOYSA-N 0 0 431.924 3.705 50 0 IHAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008710986 132291556 /nfs/dbraw/zinc/29/15/56/132291556.db2.gz DCRBUJLMXVBGND-UHFFFAOYSA-N 0 0 432.495 3.850 50 0 IHAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000008720557 132291821 /nfs/dbraw/zinc/29/18/21/132291821.db2.gz ZZDWNRGFXARGMC-GOSISDBHSA-N 0 0 436.581 3.951 50 0 IHAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000008860902 132296618 /nfs/dbraw/zinc/29/66/18/132296618.db2.gz KEJHNTFSAGVPGD-UHFFFAOYSA-N 0 0 431.492 3.793 50 0 IHAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)cc1 ZINC000009087856 132302169 /nfs/dbraw/zinc/30/21/69/132302169.db2.gz RUUHOOXMFRAAPS-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN CSc1ccc(CCNC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000009114887 132303372 /nfs/dbraw/zinc/30/33/72/132303372.db2.gz OSZZTDQMEHPXLF-QFIPXVFZSA-N 0 0 433.533 3.629 50 0 IHAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000009198078 132308226 /nfs/dbraw/zinc/30/82/26/132308226.db2.gz HVDGWAOHEUKHCH-UHFFFAOYSA-N 0 0 429.549 3.861 50 0 IHAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccc2O)CC1 ZINC000009221365 132309511 /nfs/dbraw/zinc/30/95/11/132309511.db2.gz XVIHIPQCNKHLID-UHFFFAOYSA-N 0 0 449.576 3.920 50 0 IHAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009236391 132310323 /nfs/dbraw/zinc/31/03/23/132310323.db2.gz GUNDCJVNWMXBOG-YADHBBJMSA-N 0 0 441.622 3.799 50 0 IHAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3ccc(C)cc3)n2)CC1 ZINC000009273276 132312125 /nfs/dbraw/zinc/31/21/25/132312125.db2.gz CVKGQMSHKQOJPJ-UHFFFAOYSA-N 0 0 429.528 3.751 50 0 IHAARN Cn1cc(CCCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000009406307 132315686 /nfs/dbraw/zinc/31/56/86/132315686.db2.gz UFLVPEWBMPSJLI-UHFFFAOYSA-N 0 0 436.575 3.969 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009433821 132317339 /nfs/dbraw/zinc/31/73/39/132317339.db2.gz TVJRKVOAPRVSRX-UHFFFAOYSA-N 0 0 436.483 3.539 50 0 IHAARN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 ZINC000009465689 132318364 /nfs/dbraw/zinc/31/83/64/132318364.db2.gz KZUOLZIBELBAOF-UHFFFAOYSA-N 0 0 428.510 3.828 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000009469881 132318770 /nfs/dbraw/zinc/31/87/70/132318770.db2.gz DHXAJBVWCWPPME-UHFFFAOYSA-N 0 0 447.900 3.802 50 0 IHAARN C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000009512669 132320096 /nfs/dbraw/zinc/32/00/96/132320096.db2.gz HCKNOQHLHWFKAO-AWEZNQCLSA-N 0 0 448.552 3.920 50 0 IHAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc2c(c1)OCO2 ZINC000009569420 132321807 /nfs/dbraw/zinc/32/18/07/132321807.db2.gz QGYJWOXUPCPSGQ-UHFFFAOYSA-N 0 0 436.489 3.809 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3C[C@H](C)C[C@H](C)C3)cc12 ZINC000009597563 132322756 /nfs/dbraw/zinc/32/27/56/132322756.db2.gz BWCLJEPKVUTPMS-HDICACEKSA-N 0 0 438.572 3.603 50 0 IHAARN CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000009603815 132323168 /nfs/dbraw/zinc/32/31/68/132323168.db2.gz MSEQXJVWJGRLNO-GOSISDBHSA-N 0 0 435.446 3.748 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009605487 132323285 /nfs/dbraw/zinc/32/32/85/132323285.db2.gz GRWBNOAVLATGNU-RUZDIDTESA-N 0 0 442.515 3.549 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)on1 ZINC000009637645 132324205 /nfs/dbraw/zinc/32/42/05/132324205.db2.gz ZLEASXNSULOLQC-UHFFFAOYSA-N 0 0 442.493 3.668 50 0 IHAARN COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000009699529 132326574 /nfs/dbraw/zinc/32/65/74/132326574.db2.gz GOTLDTBIGQNZIQ-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)Cc3ccccc3)Oc3ccccc32)cc1 ZINC000009699492 132326618 /nfs/dbraw/zinc/32/66/18/132326618.db2.gz HZMMAARVGGBRAV-QHCPKHFHSA-N 0 0 436.533 3.610 50 0 IHAARN COc1ccccc1Nc1nc(Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000009708868 132326882 /nfs/dbraw/zinc/32/68/82/132326882.db2.gz ZNYHEGWRZDNHLD-UHFFFAOYSA-N 0 0 430.871 3.997 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1)C1=CSCCO1 ZINC000009737597 132327925 /nfs/dbraw/zinc/32/79/25/132327925.db2.gz IMEKDFDDINNGLW-UHFFFAOYSA-N 0 0 443.956 3.846 50 0 IHAARN COC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1N1CCOCC1 ZINC000009907753 132331219 /nfs/dbraw/zinc/33/12/19/132331219.db2.gz VEQUVWONGPKCQI-UHFFFAOYSA-N 0 0 432.904 3.598 50 0 IHAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccs2)c1 ZINC000009907881 132331466 /nfs/dbraw/zinc/33/14/66/132331466.db2.gz TWJSDBYXDFHVOR-UHFFFAOYSA-N 0 0 449.532 3.749 50 0 IHAARN COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000009918563 132331797 /nfs/dbraw/zinc/33/17/97/132331797.db2.gz OIIPYPMJHGARQJ-UHFFFAOYSA-N 0 0 441.553 3.757 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 ZINC000009938780 132332454 /nfs/dbraw/zinc/33/24/54/132332454.db2.gz HLWDTIHNSDLAQI-CQSZACIVSA-N 0 0 433.986 3.947 50 0 IHAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)c1C ZINC000010104930 132334737 /nfs/dbraw/zinc/33/47/37/132334737.db2.gz COBLMITVLPUGSE-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000010211871 132335008 /nfs/dbraw/zinc/33/50/08/132335008.db2.gz RJNWWWQAQDQHDD-HZPDHXFCSA-N 0 0 432.904 3.514 50 0 IHAARN Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCCC[C@H]2C)c2ccccc2S1(=O)=O ZINC000010273735 132335496 /nfs/dbraw/zinc/33/54/96/132335496.db2.gz VCBGXGGMEPZQBA-GOSISDBHSA-N 0 0 441.553 3.840 50 0 IHAARN Cc1ccccc1N1C(=O)N(CC(=O)N2CCCCCC2)c2ccccc2S1(=O)=O ZINC000010273729 132335536 /nfs/dbraw/zinc/33/55/36/132335536.db2.gz BLYPEVWOHBJJPQ-UHFFFAOYSA-N 0 0 427.526 3.533 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000011024662 132336925 /nfs/dbraw/zinc/33/69/25/132336925.db2.gz BTHWACIKTISEBZ-UHFFFAOYSA-N 0 0 446.478 3.562 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697678 132339121 /nfs/dbraw/zinc/33/91/21/132339121.db2.gz WMTRFVMJLGEOPA-UHFFFAOYSA-N 0 0 443.433 3.988 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011773198 132339552 /nfs/dbraw/zinc/33/95/52/132339552.db2.gz RWZWCPAXIKPKPY-UHFFFAOYSA-N 0 0 442.804 3.791 50 0 IHAARN O=C(CCc1csc(NC(=O)c2ccco2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000011796775 132340367 /nfs/dbraw/zinc/34/03/67/132340367.db2.gz QQWXMOCFBKWTFC-UHFFFAOYSA-N 0 0 444.944 3.923 50 0 IHAARN O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1 ZINC000012319782 132340691 /nfs/dbraw/zinc/34/06/91/132340691.db2.gz YPEFQKIETPEKPH-HXUWFJFHSA-N 0 0 438.478 3.795 50 0 IHAARN COc1cc(/C=C/C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC ZINC000013019226 132342611 /nfs/dbraw/zinc/34/26/11/132342611.db2.gz CMWCXQOPJQXFOW-QPJJXVBHSA-N 0 0 436.386 3.730 50 0 IHAARN Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)c2c1C ZINC000013040333 132343240 /nfs/dbraw/zinc/34/32/40/132343240.db2.gz ADVPHZOIWRBWOW-UHFFFAOYSA-N 0 0 430.599 3.942 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(c3ccccc3Cl)CC1)CCC2 ZINC000013056400 132343567 /nfs/dbraw/zinc/34/35/67/132343567.db2.gz VYZOGCJZFWBGDT-UHFFFAOYSA-N 0 0 447.988 3.828 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)NCc2ccccc2)c1 ZINC000013112402 132344790 /nfs/dbraw/zinc/34/47/90/132344790.db2.gz YCTNKWPFXDERSR-UHFFFAOYSA-N 0 0 443.613 3.883 50 0 IHAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000013114586 132344875 /nfs/dbraw/zinc/34/48/75/132344875.db2.gz GKQHJURIEKCKHN-UHFFFAOYSA-N 0 0 441.535 3.915 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)CC1 ZINC000013357928 132346496 /nfs/dbraw/zinc/34/64/96/132346496.db2.gz SCIGGOJEBVDBLF-UHFFFAOYSA-N 0 0 443.594 3.946 50 0 IHAARN CCCc1c(C)nc2ncnn2c1Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013364947 132346569 /nfs/dbraw/zinc/34/65/69/132346569.db2.gz GHAFJEFLWZEHFX-UHFFFAOYSA-N 0 0 445.527 3.684 50 0 IHAARN Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@@H]1CCCCN31 ZINC000013591217 132351311 /nfs/dbraw/zinc/35/13/11/132351311.db2.gz HNRZMLRLNGETIV-LVXARBLLSA-N 0 0 446.551 3.856 50 0 IHAARN CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000013610471 132351777 /nfs/dbraw/zinc/35/17/77/132351777.db2.gz AHOCQFMMFMMKCT-UHFFFAOYSA-N 0 0 426.582 3.884 50 0 IHAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC ZINC000013611145 132351789 /nfs/dbraw/zinc/35/17/89/132351789.db2.gz RJJXBGKAAOXSGC-UHFFFAOYSA-N 0 0 435.484 3.641 50 0 IHAARN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000013679719 132353239 /nfs/dbraw/zinc/35/32/39/132353239.db2.gz UIIOYQNOKGCJTL-UHFFFAOYSA-N 0 0 435.549 3.758 50 0 IHAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)O[C@H](C)C3)c2c1C ZINC000014166805 132356340 /nfs/dbraw/zinc/35/63/40/132356340.db2.gz BOLRKYDOJHJBCA-HUUCEWRRSA-N 0 0 432.590 3.776 50 0 IHAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000014136604 132356363 /nfs/dbraw/zinc/35/63/63/132356363.db2.gz PSEHJHKXTIFDJH-QFIPXVFZSA-N 0 0 448.954 3.945 50 0 IHAARN O=C(CN1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1)NCc1ccccc1 ZINC000014201304 132356786 /nfs/dbraw/zinc/35/67/86/132356786.db2.gz YZAOYFODFWQZQJ-UHFFFAOYSA-N 0 0 437.547 3.735 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000012228985 518366204 /nfs/dbraw/zinc/36/62/04/518366204.db2.gz UUYZOZOWLLXDLK-UHFFFAOYSA-N 0 0 447.470 3.686 50 0 IHAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000012380204 518423373 /nfs/dbraw/zinc/42/33/73/518423373.db2.gz DXDWRZOEJFTKBU-UHFFFAOYSA-N 0 0 448.850 3.966 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000012751128 518438357 /nfs/dbraw/zinc/43/83/57/518438357.db2.gz RARQPVVAFYQHTC-PMACEKPBSA-N 0 0 437.525 3.527 50 0 IHAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc(N2CCOCC2)cc1 ZINC000020446913 518495528 /nfs/dbraw/zinc/49/55/28/518495528.db2.gz CHYCOTOKWARGMA-UHFFFAOYSA-N 0 0 447.417 3.949 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CCSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000012817158 518741291 /nfs/dbraw/zinc/74/12/91/518741291.db2.gz JYIFTSOIKWLCNI-UHFFFAOYSA-N 0 0 426.546 3.868 50 0 IHAARN CC(C)(CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O)N1CCOCC1 ZINC000020674944 519233333 /nfs/dbraw/zinc/23/33/33/519233333.db2.gz DSGLORWKYGSNER-RCCKNPSSSA-N 0 0 439.943 3.568 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2 ZINC000020774403 519247641 /nfs/dbraw/zinc/24/76/41/519247641.db2.gz KGTPHYMIAPHWCQ-LJQANCHMSA-N 0 0 443.498 3.725 50 0 IHAARN CC(C)Cn1c(CN(C(=S)NC(C)C)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031992 519485421 /nfs/dbraw/zinc/48/54/21/519485421.db2.gz MZHLCINELSRNOB-UHFFFAOYSA-N 0 0 448.658 3.760 50 0 IHAARN CC(C)Cn1c2nnc(SCC(=O)Nc3ccccc3F)n2c2ccsc2c1=O ZINC000035531789 519490088 /nfs/dbraw/zinc/49/00/88/519490088.db2.gz GSURPAHFXXCUFZ-UHFFFAOYSA-N 0 0 431.518 3.632 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000023074326 519604422 /nfs/dbraw/zinc/60/44/22/519604422.db2.gz VVXJGUQAPZGLTN-UHFFFAOYSA-N 0 0 442.317 3.970 50 0 IHAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 ZINC000020509120 519604791 /nfs/dbraw/zinc/60/47/91/519604791.db2.gz AMMKQHHOQXLXLJ-UHFFFAOYSA-N 0 0 432.445 3.845 50 0 IHAARN CC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000012378148 519630016 /nfs/dbraw/zinc/63/00/16/519630016.db2.gz LMEFTHTWXQICPY-UHFFFAOYSA-N 0 0 433.533 3.522 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895843 519643537 /nfs/dbraw/zinc/64/35/37/519643537.db2.gz OYEUCPULHVEVMK-GOSISDBHSA-N 0 0 431.901 3.869 50 0 IHAARN CC(C)CCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012866851 519645022 /nfs/dbraw/zinc/64/50/22/519645022.db2.gz DVUZCEVUSFTGRH-YPBQGGFRSA-N 0 0 438.572 3.923 50 0 biogenic IHAARN CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1 ZINC000036049025 519659533 /nfs/dbraw/zinc/65/95/33/519659533.db2.gz XOTGHVXUGIRNNA-VQTJNVASSA-N 0 0 426.488 3.573 50 0 IHAARN CC(=O)NCCCc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 ZINC000012684232 519661255 /nfs/dbraw/zinc/66/12/55/519661255.db2.gz WFDXEWCQEGYVSE-UHFFFAOYSA-N 0 0 439.508 3.543 50 0 IHAARN CC(C)CCNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccccc1 ZINC000035561366 519662175 /nfs/dbraw/zinc/66/21/75/519662175.db2.gz AVEBWRIEVDGWST-UHFFFAOYSA-N 0 0 427.570 3.716 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 ZINC000012617387 519675557 /nfs/dbraw/zinc/67/55/57/519675557.db2.gz XTSFAHONRLGZDA-UHFFFAOYSA-N 0 0 431.315 3.856 50 0 IHAARN CC(=O)N[C@H](CC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccs1 ZINC000021465172 519696846 /nfs/dbraw/zinc/69/68/46/519696846.db2.gz XVJIMNMQKVNPID-MRXNPFEDSA-N 0 0 447.358 3.961 50 0 IHAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(Cc1ccco1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866835 519702966 /nfs/dbraw/zinc/70/29/66/519702966.db2.gz YFPGABXIOSQEGJ-VWLOTQADSA-N 0 0 448.523 3.666 50 0 IHAARN CC(C)CN(C(=O)c1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032985927 519707013 /nfs/dbraw/zinc/70/70/13/519707013.db2.gz SYEQLTCAKXTJQJ-UHFFFAOYSA-N 0 0 448.567 3.767 50 0 IHAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 ZINC000021705649 519714460 /nfs/dbraw/zinc/71/44/60/519714460.db2.gz OLGPHYVYZRVWAN-QGZVFWFLSA-N 0 0 427.932 3.969 50 0 IHAARN CC(C)CN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012772225 519719107 /nfs/dbraw/zinc/71/91/07/519719107.db2.gz RBLFGPOGBAICCN-OAHLLOKOSA-N 0 0 430.596 3.659 50 0 IHAARN CC(=O)Nc1cccc([C@@H]2OC(c3c(OC(C)=O)ccc4ccccc43)=NN2C(C)=O)c1 ZINC000021092601 519747664 /nfs/dbraw/zinc/74/76/64/519747664.db2.gz HBHGCAHOLDBQPC-DEOSSOPVSA-N 0 0 431.448 3.963 50 0 IHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O ZINC000012743931 519754062 /nfs/dbraw/zinc/75/40/62/519754062.db2.gz KSMZFNDADBYBBG-KRWDZBQOSA-N 0 0 446.500 3.841 50 0 IHAARN CC(C)OCCCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000021859181 519764099 /nfs/dbraw/zinc/76/40/99/519764099.db2.gz RAQXVIGNFLYERG-AREMUKBSSA-N 0 0 433.552 3.987 50 0 IHAARN CC(C)[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 ZINC000016495552 519797297 /nfs/dbraw/zinc/79/72/97/519797297.db2.gz NGJMWVJSSDQTOK-HXUWFJFHSA-N 0 0 441.509 3.816 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035375820 519798565 /nfs/dbraw/zinc/79/85/65/519798565.db2.gz CWLXILWUFLECLR-LJQANCHMSA-N 0 0 440.475 3.629 50 0 IHAARN CC(C)[C@@H]1NC2(CCN(C(=O)c3ccccc3F)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014156 519806610 /nfs/dbraw/zinc/80/66/10/519806610.db2.gz STPFUTBHEYCOBU-NRFANRHFSA-N 0 0 427.495 3.554 50 0 IHAARN CC(C)c1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000012888972 519834435 /nfs/dbraw/zinc/83/44/35/519834435.db2.gz MZPNMBVLTCZZNO-UHFFFAOYSA-N 0 0 441.505 3.921 50 0 IHAARN CCCNC(=O)Cn1nc(-c2ccc(OCC)cc2)c2cnc3cc4c(cc3c21)OCCO4 ZINC000020996579 519882165 /nfs/dbraw/zinc/88/21/65/519882165.db2.gz CEONADNFIXXCFA-UHFFFAOYSA-N 0 0 446.507 3.948 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961757 519883142 /nfs/dbraw/zinc/88/31/42/519883142.db2.gz QSDYWDHWPKWUOO-IBGZPJMESA-N 0 0 446.548 3.633 50 0 IHAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(Br)c2)c2ccccc12 ZINC000012411166 519897560 /nfs/dbraw/zinc/89/75/60/519897560.db2.gz LCRCRUSFQCUYRO-UHFFFAOYSA-N 0 0 442.313 3.543 50 0 biogenic,in-vitro IHAARN CC(C)n1c2ccc(-c3noc(Cc4ccccc4Br)n3)cc2[nH]c(=O)c1=O ZINC000035481961 519925291 /nfs/dbraw/zinc/92/52/91/519925291.db2.gz OTSVRLUCOJITRB-UHFFFAOYSA-N 0 0 441.285 3.674 50 0 IHAARN CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n21 ZINC000021796947 520052983 /nfs/dbraw/zinc/05/29/83/520052983.db2.gz MBPOUPLTGOJXJY-UHFFFAOYSA-N 0 0 437.887 3.957 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000021321545 520342568 /nfs/dbraw/zinc/34/25/68/520342568.db2.gz KPJVTUWQVYRNLH-UHFFFAOYSA-N 0 0 433.480 3.779 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012797176 520368787 /nfs/dbraw/zinc/36/87/87/520368787.db2.gz JMCQUAWJSMUOQT-GOSISDBHSA-N 0 0 447.944 3.639 50 0 IHAARN CCCOc1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1OCCC ZINC000012533629 520387654 /nfs/dbraw/zinc/38/76/54/520387654.db2.gz JQVUCLHHETVGAA-UHFFFAOYSA-N 0 0 430.501 3.650 50 0 IHAARN CCCCN(C)C(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O ZINC000033057827 520389961 /nfs/dbraw/zinc/38/99/61/520389961.db2.gz OLGJWXNHHPLXTA-GOSISDBHSA-N 0 0 432.528 3.501 50 0 IHAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC ZINC000016753634 520434054 /nfs/dbraw/zinc/43/40/54/520434054.db2.gz QICMYJNIKPVGNO-QFIPXVFZSA-N 0 0 437.492 3.826 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)COCc1ccccc1 ZINC000035766864 520440277 /nfs/dbraw/zinc/44/02/77/520440277.db2.gz UWFNMKLHFUMGKM-HSZRJFAPSA-N 0 0 442.556 3.633 50 0 IHAARN CCCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)Cc1ccc(OC)cc1 ZINC000035766846 520441325 /nfs/dbraw/zinc/44/13/25/520441325.db2.gz RACABSHGCOBJLT-HSZRJFAPSA-N 0 0 442.556 3.667 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000011818729 520462370 /nfs/dbraw/zinc/46/23/70/520462370.db2.gz YYKKHJFYZJPJNW-KRWDZBQOSA-N 0 0 429.604 3.658 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2c(C)cccc2C)c2ncnn2[C@H]1c1ccccc1 ZINC000021349976 520474985 /nfs/dbraw/zinc/47/49/85/520474985.db2.gz JWLHWZVMKRKCLQ-QHCPKHFHSA-N 0 0 445.523 3.780 50 0 IHAARN CCCCN(CC)C(=O)c1sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000020758088 520475675 /nfs/dbraw/zinc/47/56/75/520475675.db2.gz SOQRDRNVNRASSR-HOTGVXAUSA-N 0 0 446.617 3.533 50 0 IHAARN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560246 520508121 /nfs/dbraw/zinc/50/81/21/520508121.db2.gz HMZWSPULHLGIOR-XMMPIXPASA-N 0 0 431.536 3.955 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000035991355 520508510 /nfs/dbraw/zinc/50/85/10/520508510.db2.gz HXHABHKEGGGHJD-HSZRJFAPSA-N 0 0 437.540 3.731 50 0 IHAARN CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@@H]1c1ccccc1 ZINC000036754249 520511210 /nfs/dbraw/zinc/51/12/10/520511210.db2.gz MDMKFNKQMPWEIM-HXUWFJFHSA-N 0 0 427.451 3.589 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Cl ZINC000015015640 520542931 /nfs/dbraw/zinc/54/29/31/520542931.db2.gz LPACSARIQFCCLV-IBGZPJMESA-N 0 0 432.929 3.850 50 0 IHAARN CCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1OC ZINC000012899675 520593530 /nfs/dbraw/zinc/59/35/30/520593530.db2.gz AYCLBMWVKKYFLA-GLCJEOIMSA-N 0 0 444.959 3.950 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045637 520680092 /nfs/dbraw/zinc/68/00/92/520680092.db2.gz ZWCCXAPSCNYRRC-UXHICEINSA-N 0 0 428.504 3.615 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000015179747 520782547 /nfs/dbraw/zinc/78/25/47/520782547.db2.gz DYAINJGIBHNJPZ-UHFFFAOYSA-N 0 0 428.510 3.693 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1C ZINC000012924147 520782834 /nfs/dbraw/zinc/78/28/34/520782834.db2.gz 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ZINC000012796223 522101619 /nfs/dbraw/zinc/10/16/19/522101619.db2.gz NMMVISCETJKKOS-RDPWEWGOSA-N 0 0 442.581 3.548 50 0 IHAARN CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012459000 522102336 /nfs/dbraw/zinc/10/23/36/522102336.db2.gz FOICMFTXEHDXHO-OAHLLOKOSA-N 0 0 439.503 3.822 50 0 IHAARN COc1cc(C(=O)NCCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000035671983 522106498 /nfs/dbraw/zinc/10/64/98/522106498.db2.gz DWJXOAHJDLCVRZ-UHFFFAOYSA-N 0 0 443.525 3.698 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c1 ZINC000022765806 522114394 /nfs/dbraw/zinc/11/43/94/522114394.db2.gz LOLKWAGGPYVRSA-JTQLQIEISA-N 0 0 435.263 3.712 50 0 IHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C)s2)no1 ZINC000035539285 522142360 /nfs/dbraw/zinc/14/23/60/522142360.db2.gz IOZAZZTZDFLJNU-OAHLLOKOSA-N 0 0 446.598 3.877 50 0 IHAARN COc1cc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)cc(OC)c1Br ZINC000012507425 522145556 /nfs/dbraw/zinc/14/55/56/522145556.db2.gz 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CC[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020463711 522575282 /nfs/dbraw/zinc/57/52/82/522575282.db2.gz CBMUGDFCONDZCK-ZDUSSCGKSA-N 0 0 427.574 3.874 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000020961077 522709228 /nfs/dbraw/zinc/70/92/28/522709228.db2.gz QZXRWUSEAPWSFA-UHFFFAOYSA-N 0 0 433.489 3.610 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc(OC)c1OC ZINC000012778140 522725094 /nfs/dbraw/zinc/72/50/94/522725094.db2.gz JNGAUGOAQDJZKU-UHFFFAOYSA-N 0 0 437.496 3.791 50 0 IHAARN COCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000035944443 522734439 /nfs/dbraw/zinc/73/44/39/522734439.db2.gz AADUOHKZNMAKDT-IBGZPJMESA-N 0 0 436.430 3.882 50 0 IHAARN COCC(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2cccs2)ccc1N(C)C ZINC000035945233 522735830 /nfs/dbraw/zinc/73/58/30/522735830.db2.gz KLOQDFNTYSGCDS-UHFFFAOYSA-N 0 0 427.526 3.835 50 0 IHAARN CCc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012470172 522783258 /nfs/dbraw/zinc/78/32/58/522783258.db2.gz ARMRYNONARPNPF-INIZCTEOSA-N 0 0 429.521 3.879 50 0 IHAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3cc(C)ccc3n2)cc1Cl ZINC000033026780 522802356 /nfs/dbraw/zinc/80/23/56/522802356.db2.gz FPMHKTURZONSCD-UHFFFAOYSA-N 0 0 433.917 3.545 50 0 IHAARN COc1cc(OC)c([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC ZINC000012467831 522828877 /nfs/dbraw/zinc/82/88/77/522828877.db2.gz PQMIKCYZTBFGFU-JOCHJYFZSA-N 0 0 449.511 3.848 50 0 IHAARN COc1cc(OC)cc(C(=O)N2c3ccccc3CO[C@]23c2ccccc2N(C)C3=O)c1 ZINC000010157773 522849993 /nfs/dbraw/zinc/84/99/93/522849993.db2.gz GDMFAZUNBAXZMD-VWLOTQADSA-N 0 0 430.460 3.710 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1 ZINC000012828348 522853768 /nfs/dbraw/zinc/85/37/68/522853768.db2.gz QMDLEXLAURFJQG-IBGZPJMESA-N 0 0 431.558 3.822 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1Cl ZINC000012741266 522872040 /nfs/dbraw/zinc/87/20/40/522872040.db2.gz HBRVSSBHABJUHP-IBGZPJMESA-N 0 0 430.913 3.994 50 0 IHAARN COCc1c(C(=O)N(C)Cc2csc(C)n2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012156416 522896664 /nfs/dbraw/zinc/89/66/64/522896664.db2.gz RYJGDCADBFTXPN-UHFFFAOYSA-N 0 0 440.554 3.574 50 0 IHAARN COC(=O)CCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022647946 522939540 /nfs/dbraw/zinc/93/95/40/522939540.db2.gz WUMTVPJJELAGTI-JOCHJYFZSA-N 0 0 445.357 3.636 50 0 IHAARN COc1cc([C@H](CC(=O)N2CCCCC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561583 522950289 /nfs/dbraw/zinc/95/02/89/522950289.db2.gz PRRDGHRJSGKZJM-FQEVSTJZSA-N 0 0 438.524 3.812 50 0 IHAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1Cl ZINC000020895762 522968637 /nfs/dbraw/zinc/96/86/37/522968637.db2.gz HUPYVPNJJDFDNN-GOSISDBHSA-N 0 0 447.900 3.569 50 0 IHAARN COc1cc2c(C(=O)Nc3ccc4c(c3)OCCO4)cn(CC(C)C)c(=O)c2cc1OC ZINC000013362727 522991422 /nfs/dbraw/zinc/99/14/22/522991422.db2.gz AIWPOXIDWFAMHB-UHFFFAOYSA-N 0 0 438.480 3.698 50 0 IHAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)CNC(=O)[C@H](CC)Oc1ccc(C)cc1 ZINC000012137360 523040084 /nfs/dbraw/zinc/04/00/84/523040084.db2.gz WWIGNBPJZHTHOD-AJSBUHFISA-N 0 0 426.557 3.939 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nncs1)CC2 ZINC000012747519 523051611 /nfs/dbraw/zinc/05/16/11/523051611.db2.gz BCYKNJUJOQJNFQ-FQEVSTJZSA-N 0 0 427.551 3.822 50 0 IHAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 ZINC000020733414 523072187 /nfs/dbraw/zinc/07/21/87/523072187.db2.gz ZAUYYLKSQBAHGV-HSZRJFAPSA-N 0 0 428.448 3.944 50 0 IHAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3cccnc3)CC(C)C)no2)cc1 ZINC000035992967 523093520 /nfs/dbraw/zinc/09/35/20/523093520.db2.gz SMHGLYMWLLUTIQ-UHFFFAOYSA-N 0 0 436.512 3.550 50 0 IHAARN CN(C[C@H](O)c1ccccc1)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000012442099 523102256 /nfs/dbraw/zinc/10/22/56/523102256.db2.gz ARDLAHZBIVYOJL-SFHVURJKSA-N 0 0 433.430 3.804 50 0 IHAARN CC[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]12 ZINC000012419115 523132575 /nfs/dbraw/zinc/13/25/75/523132575.db2.gz GJLOQGZEOGPFMP-QGTPRVQTSA-N 0 0 444.281 3.676 50 0 IHAARN COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1cn2ccsc2n1 ZINC000012167781 523140330 /nfs/dbraw/zinc/14/03/30/523140330.db2.gz DWVCNDPOYAGQQO-PXNSSMCTSA-N 0 0 444.516 3.701 50 0 IHAARN COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC(=O)Nc1cccc(C)c1C ZINC000022356980 523217415 /nfs/dbraw/zinc/21/74/15/523217415.db2.gz TZNZVYHGIAPGGI-UHFFFAOYSA-N 0 0 435.480 3.812 50 0 IHAARN COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1OC ZINC000020467728 523224401 /nfs/dbraw/zinc/22/44/01/523224401.db2.gz YGQPEZOVPCDUMJ-UHFFFAOYSA-N 0 0 445.269 3.922 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c3ccccc3[nH]c2c1=O ZINC000022627927 523228393 /nfs/dbraw/zinc/22/83/93/523228393.db2.gz LSWFLGPSCYNXMZ-UHFFFAOYSA-N 0 0 438.509 3.646 50 0 IHAARN CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000021359607 523232889 /nfs/dbraw/zinc/23/28/89/523232889.db2.gz GXBBCYYNHLPURC-UHFFFAOYSA-N 0 0 439.570 3.861 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N3)cc1 ZINC000020715459 523233866 /nfs/dbraw/zinc/23/38/66/523233866.db2.gz IRKMAHAJCUOHKQ-OAHLLOKOSA-N 0 0 432.267 3.783 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000035489046 523244086 /nfs/dbraw/zinc/24/40/86/523244086.db2.gz LHCITGRPWXBMRD-VWLOTQADSA-N 0 0 438.531 3.960 50 0 IHAARN COCCCN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000035405875 523292027 /nfs/dbraw/zinc/29/20/27/523292027.db2.gz UZOGQDRSPAGJLT-JOCHJYFZSA-N 0 0 445.972 3.924 50 0 IHAARN CN(Cc1cccc2cnccc21)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012437788 523321285 /nfs/dbraw/zinc/32/12/85/523321285.db2.gz JLZYQBQCTGWXJJ-UHFFFAOYSA-N 0 0 440.463 3.655 50 0 IHAARN COc1ccc(-n2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 ZINC000020508840 523327377 /nfs/dbraw/zinc/32/73/77/523327377.db2.gz ROUFDRCIZOUWEO-UHFFFAOYSA-N 0 0 428.444 3.658 50 0 IHAARN CN(Cc1ccccc1)C(=O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034830672 523337735 /nfs/dbraw/zinc/33/77/35/523337735.db2.gz NSPQJKFLNWCESE-UHFFFAOYSA-N 0 0 442.441 3.830 50 0 IHAARN COc1ccc(-n2cnnc2SCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000012511696 523340449 /nfs/dbraw/zinc/34/04/49/523340449.db2.gz FZFHFOMJIORXRI-UHFFFAOYSA-N 0 0 434.974 3.930 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 ZINC000020892752 523344832 /nfs/dbraw/zinc/34/48/32/523344832.db2.gz YRKXEWKQDBGLKM-NRFANRHFSA-N 0 0 441.509 3.687 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000020892572 523345857 /nfs/dbraw/zinc/34/58/57/523345857.db2.gz HTBIADLMIXIBPB-OAQYLSRUSA-N 0 0 425.510 3.981 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 ZINC000021900659 523348002 /nfs/dbraw/zinc/34/80/02/523348002.db2.gz JKFDDDXIFONNFC-UHFFFAOYSA-N 0 0 432.505 3.703 50 0 IHAARN CC[C@H]1CO[C@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C ZINC000012419167 523353994 /nfs/dbraw/zinc/35/39/94/523353994.db2.gz KWTCLVGDXDUYKP-MHECFPHRSA-N 0 0 445.519 3.785 50 0 IHAARN COCCCNC(=O)c1nn(-c2ccccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000020725918 523371618 /nfs/dbraw/zinc/37/16/18/523371618.db2.gz YRIQLYBZEGDYQM-UHFFFAOYSA-N 0 0 441.915 3.880 50 0 IHAARN COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 ZINC000022185221 523416971 /nfs/dbraw/zinc/41/69/71/523416971.db2.gz QDZYSAGSBWLFHZ-OBGWFSINSA-N 0 0 427.504 3.692 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(F)cc4)CC3)ccc21 ZINC000021938973 523495620 /nfs/dbraw/zinc/49/56/20/523495620.db2.gz DGDAGZCWONLJDC-UHFFFAOYSA-N 0 0 444.532 3.729 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCCn1sc2ccccc2c1=O ZINC000020467435 523497759 /nfs/dbraw/zinc/49/77/59/523497759.db2.gz PCWWUPDAFMTZTJ-UHFFFAOYSA-N 0 0 435.343 3.931 50 0 IHAARN CO[C@@H](c1nnc(CCC(=O)NC2CCN(c3cccc(C)c3)CC2)o1)c1ccccc1 ZINC000020997137 523552889 /nfs/dbraw/zinc/55/28/89/523552889.db2.gz XDVBAGAHSDUUCE-XMMPIXPASA-N 0 0 434.540 3.832 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 ZINC000012740210 523576026 /nfs/dbraw/zinc/57/60/26/523576026.db2.gz ZIZKEYYLZYPGON-QHCPKHFHSA-N 0 0 436.552 3.880 50 0 IHAARN CN(Cc1ncc[nH]1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012204027 523585142 /nfs/dbraw/zinc/58/51/42/523585142.db2.gz DSRLYWOYWUAADH-UHFFFAOYSA-N 0 0 434.931 3.541 50 0 IHAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc2ccccc2s1 ZINC000012417367 523591071 /nfs/dbraw/zinc/59/10/71/523591071.db2.gz OCAIADAWHUKGSC-MRXNPFEDSA-N 0 0 432.592 3.980 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000020726660 523612322 /nfs/dbraw/zinc/61/23/22/523612322.db2.gz ZUCJBLACTHVRBP-RDJZCZTQSA-N 0 0 425.316 3.571 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c(OC)c1 ZINC000035553057 523650249 /nfs/dbraw/zinc/65/02/49/523650249.db2.gz NREFQBNPVDDNDF-UHFFFAOYSA-N 0 0 448.523 3.984 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)C(C)C ZINC000035962565 523652514 /nfs/dbraw/zinc/65/25/14/523652514.db2.gz IYVAXBULWHEHDZ-QHCPKHFHSA-N 0 0 437.540 3.504 50 0 IHAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000012914689 523654233 /nfs/dbraw/zinc/65/42/33/523654233.db2.gz YWQIZQODAZCOPJ-JOCHJYFZSA-N 0 0 440.446 3.897 50 0 IHAARN COc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012736266 523695713 /nfs/dbraw/zinc/69/57/13/523695713.db2.gz GBCRJSQPYTWUET-UHFFFAOYSA-N 0 0 447.601 3.653 50 0 IHAARN COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c(OC)c1OC ZINC000012129502 523707009 /nfs/dbraw/zinc/70/70/09/523707009.db2.gz JXADIAOFBUEMMW-SFHVURJKSA-N 0 0 449.507 3.520 50 0 IHAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000012567867 523746607 /nfs/dbraw/zinc/74/66/07/523746607.db2.gz PTODHVNANMSVQG-QFIPXVFZSA-N 0 0 430.888 3.867 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccc(Cl)c(Cl)c1 ZINC000012889524 523774726 /nfs/dbraw/zinc/77/47/26/523774726.db2.gz OMASJCANDWSRFU-VQHVLOKHSA-N 0 0 432.307 3.918 50 0 IHAARN COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccccc3)nc21 ZINC000020590215 523798349 /nfs/dbraw/zinc/79/83/49/523798349.db2.gz HOZYJRVUNODVTM-UHFFFAOYSA-N 0 0 425.554 3.982 50 0 IHAARN CN1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2nc3ccccc3nc21 ZINC000018084454 523803881 /nfs/dbraw/zinc/80/38/81/523803881.db2.gz XVZIBXKRAWJRLN-UHFFFAOYSA-N 0 0 435.915 3.897 50 0 IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2Br)N1C(C)=O ZINC000012662088 523807731 /nfs/dbraw/zinc/80/77/31/523807731.db2.gz DVECIDKWIISVPT-AZUAARDMSA-N 0 0 427.298 3.966 50 0 biogenic IHAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012567737 523839050 /nfs/dbraw/zinc/83/90/50/523839050.db2.gz YGDQTLXGASMFNT-QHCPKHFHSA-N 0 0 433.508 3.734 50 0 IHAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000012917428 523855978 /nfs/dbraw/zinc/85/59/78/523855978.db2.gz ZMXMQXYFQAJCSP-KRWDZBQOSA-N 0 0 426.538 3.703 50 0 IHAARN CCc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020758922 523866290 /nfs/dbraw/zinc/86/62/90/523866290.db2.gz PCDWDXNYCDCLKQ-HUUCEWRRSA-N 0 0 438.601 3.695 50 0 IHAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000035405763 523915424 /nfs/dbraw/zinc/91/54/24/523915424.db2.gz BCSFHZOURAEWIJ-OAQYLSRUSA-N 0 0 431.945 3.534 50 0 IHAARN COc1ccc(CCN2CNC(=S)N(c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000012371302 523951274 /nfs/dbraw/zinc/95/12/74/523951274.db2.gz KASXVUSPLHBTSV-UHFFFAOYSA-N 0 0 425.476 3.877 50 0 IHAARN CCc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCCCOC)cc1 ZINC000021855311 523963631 /nfs/dbraw/zinc/96/36/31/523963631.db2.gz QHHSYTFQJUJPRJ-AREMUKBSSA-N 0 0 446.551 3.684 50 0 IHAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC ZINC000015721630 523967889 /nfs/dbraw/zinc/96/78/89/523967889.db2.gz PWGLAISJYBTLDJ-UHFFFAOYSA-N 0 0 430.302 3.829 50 0 biogenic IHAARN COc1ccc(CCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)cc1OC ZINC000021019660 523969420 /nfs/dbraw/zinc/96/94/20/523969420.db2.gz LMXNAKJDKJLWNM-UHFFFAOYSA-N 0 0 442.537 3.528 50 0 biogenic IHAARN CC[C@H](C)NC(=O)Cn1c2nc(-c3ccc(C)cc3)nn2c(=O)c(Cc2ccccc2)c1C ZINC000033324777 523976661 /nfs/dbraw/zinc/97/66/61/523976661.db2.gz QDOLYUPGBVPFOF-SFHVURJKSA-N 0 0 443.551 3.680 50 0 IHAARN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3cc(=O)oc4cc5c(cc34)CCC5)C2=O)cc1 ZINC000021719925 523982282 /nfs/dbraw/zinc/98/22/82/523982282.db2.gz WAXDLJYCORKNJE-AREMUKBSSA-N 0 0 446.503 3.734 50 0 IHAARN COc1ccc(CCc2nnc(CCC(=O)NCc3cnn(-c4ccccc4C)c3)o2)cc1 ZINC000012712841 523985216 /nfs/dbraw/zinc/98/52/16/523985216.db2.gz JISQCFICFRXCCG-UHFFFAOYSA-N 0 0 445.523 3.607 50 0 IHAARN COc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013126516 523991775 /nfs/dbraw/zinc/99/17/75/523991775.db2.gz VAKXXVGFEBILTR-LFIBNONCSA-N 0 0 442.581 3.932 50 0 IHAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000021785475 524024216 /nfs/dbraw/zinc/02/42/16/524024216.db2.gz FHEXZFRRSBUYSE-LLVKDONJSA-N 0 0 440.502 3.886 50 0 IHAARN COc1ccc(CN2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1F ZINC000022784162 524031815 /nfs/dbraw/zinc/03/18/15/524031815.db2.gz ZDUGQCBEKXHFNY-SFHVURJKSA-N 0 0 443.588 3.869 50 0 IHAARN COc1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC ZINC000012897931 524033053 /nfs/dbraw/zinc/03/30/53/524033053.db2.gz QWEKDOQMSKDPGY-UHFFFAOYSA-N 0 0 445.368 3.517 50 0 IHAARN COc1ccc(CNC(=O)CCn2nc(-c3ccc(C(C)C)cc3)ccc2=O)cc1OC ZINC000041255216 524048883 /nfs/dbraw/zinc/04/88/83/524048883.db2.gz DDLKBDZYDSYVLE-UHFFFAOYSA-N 0 0 435.524 3.757 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c(OC)c1 ZINC000032960389 524062784 /nfs/dbraw/zinc/06/27/84/524062784.db2.gz FBZMBKUYQWPSBE-GOSISDBHSA-N 0 0 438.528 3.698 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O ZINC000012413538 524064178 /nfs/dbraw/zinc/06/41/78/524064178.db2.gz KYAZPYZJAVHBDY-UHFFFAOYSA-N 0 0 442.519 3.674 50 0 IHAARN COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021049679 524065991 /nfs/dbraw/zinc/06/59/91/524065991.db2.gz KDKILNMHPZNNMJ-UHFFFAOYSA-N 0 0 438.915 3.521 50 0 IHAARN COc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)cc1OC ZINC000015671795 524067500 /nfs/dbraw/zinc/06/75/00/524067500.db2.gz IQABMXILJZLXMH-UHFFFAOYSA-N 0 0 441.557 3.656 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2OC(C)=O)s1 ZINC000012442950 524075393 /nfs/dbraw/zinc/07/53/93/524075393.db2.gz FIUIGUBPOWJYDT-UHFFFAOYSA-N 0 0 441.534 3.826 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(Br)c3)c2)C1 ZINC000033264558 524076802 /nfs/dbraw/zinc/07/68/02/524076802.db2.gz NBPGOVOBCVGDDQ-SFHVURJKSA-N 0 0 430.346 3.898 50 0 IHAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nn2)c1 ZINC000035398316 524109749 /nfs/dbraw/zinc/10/97/49/524109749.db2.gz TWCVKUVKEHEGMN-FQEVSTJZSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)c2)c1 ZINC000012442716 524111391 /nfs/dbraw/zinc/11/13/91/524111391.db2.gz FESLBSVFOUWLOK-OAQYLSRUSA-N 0 0 446.551 3.885 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC2CC2)c1OC ZINC000036054510 524123201 /nfs/dbraw/zinc/12/32/01/524123201.db2.gz IXXBYYLBDDVAOG-OALUTQOASA-N 0 0 442.943 3.739 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)N(C)C)nc3sc4c(c3c2=O)CCCS4)c1 ZINC000012806211 524137741 /nfs/dbraw/zinc/13/77/41/524137741.db2.gz PSWDQRGDHDRKEB-UHFFFAOYSA-N 0 0 431.608 3.974 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc(-n3cnnn3)c2)c2ccccc2)c1 ZINC000021229995 524154616 /nfs/dbraw/zinc/15/46/16/524154616.db2.gz MOCSOQSRIJUUHR-QFIPXVFZSA-N 0 0 427.464 3.816 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054222 524180839 /nfs/dbraw/zinc/18/08/39/524180839.db2.gz BAPIGDJANZMSDK-WOJBJXKFSA-N 0 0 444.959 3.985 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054223 524181840 /nfs/dbraw/zinc/18/18/40/524181840.db2.gz BAPIGDJANZMSDK-UXHICEINSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1cc(C(F)(F)F)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012446660 524208392 /nfs/dbraw/zinc/20/83/92/524208392.db2.gz HAPCQFOKPJCSLY-UHFFFAOYSA-N 0 0 439.415 3.772 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)NCCn1cnc2cc(C(=O)NC(C)C)ccc21 ZINC000021653647 524236348 /nfs/dbraw/zinc/23/63/48/524236348.db2.gz DLEXWXYPVOMWBZ-UHFFFAOYSA-N 0 0 429.908 3.658 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000012898463 524240589 /nfs/dbraw/zinc/24/05/89/524240589.db2.gz QNSNYWIKUKERGB-JPYJTQIMSA-N 0 0 446.551 3.549 50 0 biogenic IHAARN COc1ccc(Cl)cc1[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(F)(F)F ZINC000012854541 524254138 /nfs/dbraw/zinc/25/41/38/524254138.db2.gz VJXFPLPVARGGRC-QGZVFWFLSA-N 0 0 426.778 3.905 50 0 IHAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCc4ccccc4OC)cc3c2=O)cc1 ZINC000021916885 524261907 /nfs/dbraw/zinc/26/19/07/524261907.db2.gz ARAOFUSHRZABOH-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2CCCC[C@H]2C(=O)NCc2ccc(F)cc2)no1 ZINC000036001425 524265991 /nfs/dbraw/zinc/26/59/91/524265991.db2.gz DDPNDHXNTUBDLI-FQEVSTJZSA-N 0 0 437.471 3.800 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nnc(-c3cccnc3)o2)no1 ZINC000021355639 524271185 /nfs/dbraw/zinc/27/11/85/524271185.db2.gz MYXUXOPIFKXWQV-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1ccccc1-c1noc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000020888938 524298681 /nfs/dbraw/zinc/29/86/81/524298681.db2.gz JJPAOIKITQUNTO-NSHDSACASA-N 0 0 438.303 3.547 50 0 IHAARN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCc3cccc(Br)c3)c2n1 ZINC000020992710 524340643 /nfs/dbraw/zinc/34/06/43/524340643.db2.gz HRZJDCNLMDFDNE-UHFFFAOYSA-N 0 0 438.329 3.918 50 0 IHAARN Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NCc4cccnc4)c3)c2)c1 ZINC000012167136 524343671 /nfs/dbraw/zinc/34/36/71/524343671.db2.gz UZACVIAUHCYOLW-UHFFFAOYSA-N 0 0 425.492 3.687 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000032985979 524349588 /nfs/dbraw/zinc/34/95/88/524349588.db2.gz MXAQKBKXRHCIOM-UHFFFAOYSA-N 0 0 432.553 3.784 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000021633334 524356972 /nfs/dbraw/zinc/35/69/72/524356972.db2.gz ZOOBSWDUSBJLHE-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN C[C@@H](CC(F)(F)F)C(=O)N1CCc2c(sc3[nH]c(=O)n(C4CCCCC4)c(=O)c32)C1 ZINC000022623962 524406667 /nfs/dbraw/zinc/40/66/67/524406667.db2.gz GWQLNVOWBTTYTF-NSHDSACASA-N 0 0 443.491 3.730 50 0 IHAARN COc1ccccc1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872619 524419752 /nfs/dbraw/zinc/41/97/52/524419752.db2.gz SMJPUTFSDKJDBX-UHFFFAOYSA-N 0 0 433.533 3.702 50 0 biogenic IHAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)n1 ZINC000012163090 524425030 /nfs/dbraw/zinc/42/50/30/524425030.db2.gz KKNGPXVODQZKTP-LJQANCHMSA-N 0 0 431.458 3.968 50 0 IHAARN COc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021861871 524446939 /nfs/dbraw/zinc/44/69/39/524446939.db2.gz VWJAZDHEZQBTIW-RUZDIDTESA-N 0 0 432.524 3.518 50 0 IHAARN COc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021860493 524447125 /nfs/dbraw/zinc/44/71/25/524447125.db2.gz HUJJIJUURCKPTR-AREMUKBSSA-N 0 0 446.551 3.909 50 0 IHAARN COc1ccccc1CNC(=O)C[S@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000020241647 524467576 /nfs/dbraw/zinc/46/75/76/524467576.db2.gz NMZLZLBNQVFWPH-LJAQVGFWSA-N 0 0 432.929 3.877 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2c2ccc(OC)cc2)cc1 ZINC000020583574 524469918 /nfs/dbraw/zinc/46/99/18/524469918.db2.gz UFXJQISGHPYBSM-IBGZPJMESA-N 0 0 437.525 3.945 50 0 IHAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)COCc3ccccc3)CC2)c1 ZINC000035887791 524472117 /nfs/dbraw/zinc/47/21/17/524472117.db2.gz TVJIZEKKKZEHBY-UHFFFAOYSA-N 0 0 444.579 3.858 50 0 IHAARN COc1ccccc1CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012149599 524483208 /nfs/dbraw/zinc/48/32/08/524483208.db2.gz HJWYGYGYFUYCHJ-UHFFFAOYSA-N 0 0 437.540 3.528 50 0 IHAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000012697899 524488729 /nfs/dbraw/zinc/48/87/29/524488729.db2.gz XKGRJOJNWZVQQK-UHFFFAOYSA-N 0 0 429.826 3.876 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c(OC)c1 ZINC000035532031 524514717 /nfs/dbraw/zinc/51/47/17/524514717.db2.gz PMYSEIJZFCJZEQ-UHFFFAOYSA-N 0 0 441.557 3.792 50 0 IHAARN Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1F ZINC000022019225 524522098 /nfs/dbraw/zinc/52/20/98/524522098.db2.gz JAQRPBRCBRUWLR-UHFFFAOYSA-N 0 0 426.355 3.986 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2nc(C)cc(-c3ccccc3)n2)CC1 ZINC000015019444 524546435 /nfs/dbraw/zinc/54/64/35/524546435.db2.gz DADHMLWTUPFJQF-UHFFFAOYSA-N 0 0 434.565 3.902 50 0 IHAARN COc1ccccc1N1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000012545031 524548399 /nfs/dbraw/zinc/54/83/99/524548399.db2.gz SSCAREYHCOKVDY-IBGZPJMESA-N 0 0 431.945 3.500 50 0 IHAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1 ZINC000021039760 524566621 /nfs/dbraw/zinc/56/66/21/524566621.db2.gz ZOGWTVNTCWBEBU-UHFFFAOYSA-N 0 0 429.568 3.679 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cccn3)cc2)c1C ZINC000009816634 524588727 /nfs/dbraw/zinc/58/87/27/524588727.db2.gz VKVWXYXCOYZLPJ-JOCHJYFZSA-N 0 0 432.524 3.749 50 0 IHAARN COc1ccccc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 ZINC000021657119 524599743 /nfs/dbraw/zinc/59/97/43/524599743.db2.gz PMODCOKYHUMZDM-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 ZINC000035900281 524624522 /nfs/dbraw/zinc/62/45/22/524624522.db2.gz WOJFIYOWTOKWHS-FTIBCMOBSA-N 0 0 446.503 3.571 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCn3c4ccccc4oc3=O)cc2)cc1 ZINC000022865837 524634830 /nfs/dbraw/zinc/63/48/30/524634830.db2.gz IMGHVVHQKVZXQY-UHFFFAOYSA-N 0 0 431.448 3.884 50 0 IHAARN COc1ccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1 ZINC000035596773 524654282 /nfs/dbraw/zinc/65/42/82/524654282.db2.gz AMEGSDNFKISATQ-UHFFFAOYSA-N 0 0 433.511 3.560 50 0 IHAARN C[C@@H](CNC(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000021651114 524658016 /nfs/dbraw/zinc/65/80/16/524658016.db2.gz DJTJFUFDVUQLGY-MQFAKOPTSA-N 0 0 446.576 3.832 50 0 IHAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)c1 ZINC000012437616 524660336 /nfs/dbraw/zinc/66/03/36/524660336.db2.gz YOFLSIFPNAMMJN-BZZOAKBMSA-N 0 0 433.489 3.788 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21 ZINC000035558858 524741332 /nfs/dbraw/zinc/74/13/32/524741332.db2.gz WPDMNOGVVPWLMH-UHFFFAOYSA-N 0 0 441.915 3.639 50 0 IHAARN COc1ccc(OC)c(C(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)c1 ZINC000012216068 524805566 /nfs/dbraw/zinc/80/55/66/524805566.db2.gz MTHPJMOWOYWTQR-UHFFFAOYSA-N 0 0 442.541 3.902 50 0 IHAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C(=O)NCc1cccnc1 ZINC000036055125 524816659 /nfs/dbraw/zinc/81/66/59/524816659.db2.gz RPDBABPABFTZOT-DHIUTWEWSA-N 0 0 429.520 3.571 50 0 IHAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000012784944 524838771 /nfs/dbraw/zinc/83/87/71/524838771.db2.gz YMDWRZWERPPICJ-ZFWWWQNUSA-N 0 0 434.480 3.787 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)c1 ZINC000035423305 524865806 /nfs/dbraw/zinc/86/58/06/524865806.db2.gz WFIKHJHJVKMLMF-UHFFFAOYSA-N 0 0 444.447 3.560 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 ZINC000015882904 524868545 /nfs/dbraw/zinc/86/85/45/524868545.db2.gz LFYVGQGPFXVJPL-UHFFFAOYSA-N 0 0 443.297 3.929 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000012361418 524876418 /nfs/dbraw/zinc/87/64/18/524876418.db2.gz OVEZWBLBKDXTLC-NRFANRHFSA-N 0 0 432.929 3.953 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533162 524885811 /nfs/dbraw/zinc/88/58/11/524885811.db2.gz CIUKALGUSPRMSM-UHFFFAOYSA-N 0 0 445.445 3.647 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059520 524894912 /nfs/dbraw/zinc/89/49/12/524894912.db2.gz ZTCNLZVJXVGWGD-GOTSBHOMSA-N 0 0 438.568 3.951 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059495 524898460 /nfs/dbraw/zinc/89/84/60/524898460.db2.gz IGWOIJWYNHPZJK-FCHUYYIVSA-N 0 0 448.519 3.811 50 0 IHAARN COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc21 ZINC000020743817 524923381 /nfs/dbraw/zinc/92/33/81/524923381.db2.gz CKQKXGPDQSQOAG-UHFFFAOYSA-N 0 0 441.553 3.601 50 0 IHAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000012686822 524989852 /nfs/dbraw/zinc/98/98/52/524989852.db2.gz BWCCTAXBYXYBDH-DHZHZOJOSA-N 0 0 442.537 3.940 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc2)cc1OC ZINC000016349628 525013684 /nfs/dbraw/zinc/01/36/84/525013684.db2.gz XJWHIDVIYHQTBZ-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1NC(C)=O ZINC000012924007 525017617 /nfs/dbraw/zinc/01/76/17/525017617.db2.gz PTEVXZWEDBHLOG-UHFFFAOYSA-N 0 0 425.510 3.613 50 0 IHAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000012732615 525043432 /nfs/dbraw/zinc/04/34/32/525043432.db2.gz KLZPXRTZRKEUSJ-UHFFFAOYSA-N 0 0 433.556 3.987 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1NC(C)=O ZINC000012753504 525044567 /nfs/dbraw/zinc/04/45/67/525044567.db2.gz RMZOLNCUVXNWHF-UHFFFAOYSA-N 0 0 443.550 3.837 50 0 IHAARN Cc1ccc(NC(=O)CN(Cc2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012638507 525047679 /nfs/dbraw/zinc/04/76/79/525047679.db2.gz USGQJTQDMNFSMB-UHFFFAOYSA-N 0 0 437.565 3.891 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(O)c1 ZINC000012776750 525068404 /nfs/dbraw/zinc/06/84/04/525068404.db2.gz LGOMDAKMJQJWMM-UHFFFAOYSA-N 0 0 432.523 3.605 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1C ZINC000021794779 525082113 /nfs/dbraw/zinc/08/21/13/525082113.db2.gz OXTPNBHWPAPNLO-UHFFFAOYSA-N 0 0 427.530 3.712 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000012140712 525099591 /nfs/dbraw/zinc/09/95/91/525099591.db2.gz UMWFPPVZMLLOSI-UHFFFAOYSA-N 0 0 425.444 3.846 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl ZINC000021329072 525101715 /nfs/dbraw/zinc/10/17/15/525101715.db2.gz UDZFRTMLKIWKMH-IQMFZBJNSA-N 0 0 425.916 3.691 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012868009 525117271 /nfs/dbraw/zinc/11/72/71/525117271.db2.gz VGAOXJHDBNTMHL-GFCCVEGCSA-N 0 0 435.709 3.939 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccs1 ZINC000017842226 525118325 /nfs/dbraw/zinc/11/83/25/525118325.db2.gz QDLWTRBIJBLBDR-CQSZACIVSA-N 0 0 436.580 3.891 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)n(-c2ccccc2C)n1 ZINC000012799866 525133141 /nfs/dbraw/zinc/13/31/41/525133141.db2.gz UZKPNBJXPQZWCE-UHFFFAOYSA-N 0 0 433.556 3.923 50 0 IHAARN C[C@@H](NC(=O)Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O)c1ccccc1 ZINC000035423606 525142983 /nfs/dbraw/zinc/14/29/83/525142983.db2.gz JZDZMWLDAXCBRC-GFCCVEGCSA-N 0 0 425.286 3.518 50 0 IHAARN COc1ccc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1 ZINC000020560639 525172803 /nfs/dbraw/zinc/17/28/03/525172803.db2.gz JGKMTHXTZBSFAT-JOCHJYFZSA-N 0 0 444.487 3.828 50 0 IHAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000022193779 525173628 /nfs/dbraw/zinc/17/36/28/525173628.db2.gz NWCWLMRJOFXQDB-GOSISDBHSA-N 0 0 433.888 3.933 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000022801156 525196879 /nfs/dbraw/zinc/19/68/79/525196879.db2.gz VQYNXKNAWZDBRV-XMMPIXPASA-N 0 0 436.600 3.597 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl ZINC000012689016 525197685 /nfs/dbraw/zinc/19/76/85/525197685.db2.gz PLEZGBJXKWKUFL-LPHOPBHVSA-N 0 0 429.904 3.662 50 0 IHAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1S(=O)(=O)N(C)C ZINC000012785008 525231442 /nfs/dbraw/zinc/23/14/42/525231442.db2.gz XNTWDXQVFJGFNF-UHFFFAOYSA-N 0 0 441.557 3.701 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1I ZINC000012923227 525236536 /nfs/dbraw/zinc/23/65/36/525236536.db2.gz LJGVSQBSKBRNRY-UHFFFAOYSA-N 0 0 448.260 3.501 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1I ZINC000022906445 525236553 /nfs/dbraw/zinc/23/65/53/525236553.db2.gz PYVCEBSBXRHRCV-UHFFFAOYSA-N 0 0 434.277 3.974 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1OC ZINC000035948395 525240503 /nfs/dbraw/zinc/24/05/03/525240503.db2.gz PXQAJSKAFVRDIG-SFHVURJKSA-N 0 0 441.553 3.702 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012773719 525244013 /nfs/dbraw/zinc/24/40/13/525244013.db2.gz NIZJQJZZSHNLHN-QFIPXVFZSA-N 0 0 446.544 3.599 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000009236857 525268477 /nfs/dbraw/zinc/26/84/77/525268477.db2.gz FBEAFPRVGLIXEQ-ROUUACIJSA-N 0 0 429.933 3.955 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1F ZINC000012553299 525314811 /nfs/dbraw/zinc/31/48/11/525314811.db2.gz SAVOLZKEWIKXFQ-AWEZNQCLSA-N 0 0 445.516 3.807 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4c(F)cccc4Cl)CC3)n2)cc1 ZINC000022785111 525328017 /nfs/dbraw/zinc/32/80/17/525328017.db2.gz KDNUFBSBEGRYPF-UHFFFAOYSA-N 0 0 441.942 3.616 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1 ZINC000022687042 525356450 /nfs/dbraw/zinc/35/64/50/525356450.db2.gz JXEOYUOTNHXNDL-NRFANRHFSA-N 0 0 441.915 3.807 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000016750661 525357003 /nfs/dbraw/zinc/35/70/03/525357003.db2.gz ZQSIOTVXZINQHK-QGZVFWFLSA-N 0 0 439.936 3.691 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2c3ccccc3nc3c2CCCC3)N2CCOCC2)cc1 ZINC000032969220 525356989 /nfs/dbraw/zinc/35/69/89/525356989.db2.gz ATSTXCNPVADIPA-VWLOTQADSA-N 0 0 445.563 3.926 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3)o2)N2CCOCC2)cc1 ZINC000023873369 525358380 /nfs/dbraw/zinc/35/83/80/525358380.db2.gz XBQZHYXYPYQPGO-QHCPKHFHSA-N 0 0 436.508 3.671 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3ccccc3)n2)cc1 ZINC000012621117 525406289 /nfs/dbraw/zinc/40/62/89/525406289.db2.gz SCCPSNZAQKQTEK-HSZRJFAPSA-N 0 0 438.491 3.727 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061990 525421811 /nfs/dbraw/zinc/42/18/11/525421811.db2.gz BGNKJGJOVTXKJS-RTBURBONSA-N 0 0 430.570 3.783 50 0 IHAARN COc1ccc([C@]2(CC(=O)N3CCC(c4ccccc4)CC3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000011880633 525445955 /nfs/dbraw/zinc/44/59/55/525445955.db2.gz SLLKTEMWUBBNSN-MHZLTWQESA-N 0 0 446.547 3.651 50 0 IHAARN COc1ccc([C@]2(CC(=O)NC[C@H](C)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012097752 525447095 /nfs/dbraw/zinc/44/70/95/525447095.db2.gz LLQUHOVKFXQPIY-PPHZAIPVSA-N 0 0 448.563 3.945 50 0 IHAARN Cc1nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3F)nn2c(=O)c1C ZINC000021807023 525448238 /nfs/dbraw/zinc/44/82/38/525448238.db2.gz VZCVXLGGAQRNDL-UHFFFAOYSA-N 0 0 425.851 3.674 50 0 IHAARN Cc1ccccc1[C@]1(CC(=O)N(C)Cc2ccsc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012041004 525448379 /nfs/dbraw/zinc/44/83/79/525448379.db2.gz OOFGJSHHDQFHGU-VWLOTQADSA-N 0 0 447.560 3.697 50 0 IHAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc12 ZINC000033268571 525459393 /nfs/dbraw/zinc/45/93/93/525459393.db2.gz AJPMQDUBSIPAPZ-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000016047931 525489061 /nfs/dbraw/zinc/48/90/61/525489061.db2.gz PIPFEVSMJAIJPU-UHFFFAOYSA-N 0 0 430.507 3.650 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2)cc1 ZINC000015823332 525503088 /nfs/dbraw/zinc/50/30/88/525503088.db2.gz VHDSITPYMHRNBR-UHFFFAOYSA-N 0 0 449.576 3.539 50 0 IHAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)o1 ZINC000012607102 525503208 /nfs/dbraw/zinc/50/32/08/525503208.db2.gz RECYCGWDQJUZQQ-ZHBFVYIWSA-N 0 0 437.540 3.728 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)c(C)c1 ZINC000012521563 525519819 /nfs/dbraw/zinc/51/98/19/525519819.db2.gz HRLIGNZDSOUKNK-UHFFFAOYSA-N 0 0 441.597 3.943 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(CN4C(=O)c5ccccc5C4=O)ccc32)cc1 ZINC000001060455 525537578 /nfs/dbraw/zinc/53/75/78/525537578.db2.gz IYPHZFWVXWFIBD-UHFFFAOYSA-N 0 0 446.528 3.933 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000012798239 525548015 /nfs/dbraw/zinc/54/80/15/525548015.db2.gz XQUCQIBHTJJWEJ-UHFFFAOYSA-N 0 0 443.352 3.504 50 0 IHAARN Cc1c(C(=O)N(C)Cc2ccccc2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000014978932 525559388 /nfs/dbraw/zinc/55/93/88/525559388.db2.gz OIUHHSHLROJPLJ-UHFFFAOYSA-N 0 0 437.569 3.696 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000012762257 525593103 /nfs/dbraw/zinc/59/31/03/525593103.db2.gz NLFYBTLLXYUERB-PMACEKPBSA-N 0 0 432.973 3.792 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000012565974 525593520 /nfs/dbraw/zinc/59/35/20/525593520.db2.gz IIMPPFQWKNZRMI-MPGHIAIKSA-N 0 0 440.993 3.524 50 0 IHAARN COc1ccc2c(c1)[nH]c(C(=O)NCCN1CCOCC1)c2Sc1ccc(C)cc1 ZINC000020466819 525598033 /nfs/dbraw/zinc/59/80/33/525598033.db2.gz ZWVMLJFSIQBHKD-UHFFFAOYSA-N 0 0 425.554 3.698 50 0 IHAARN Cc1cc2c(cc1F)n(CC(=O)NCc1ccc(F)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535405 525604755 /nfs/dbraw/zinc/60/47/55/525604755.db2.gz ZGYYZCHKOXEMTI-UHFFFAOYSA-N 0 0 447.441 3.531 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3nc[nH]n3)cc2NC1=O ZINC000012844917 525612680 /nfs/dbraw/zinc/61/26/80/525612680.db2.gz BIPPZZCAQZNIJK-NSHDSACASA-N 0 0 435.465 3.815 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)ccc2c1 ZINC000016050451 525637717 /nfs/dbraw/zinc/63/77/17/525637717.db2.gz HOEOKAGETCJSPH-HSZRJFAPSA-N 0 0 437.883 3.908 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(C[C@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 ZINC000012748363 525642852 /nfs/dbraw/zinc/64/28/52/525642852.db2.gz DLYTZJZWQHZBAE-LVXARBLLSA-N 0 0 448.519 3.672 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccccn1)C3=O ZINC000021856229 525642950 /nfs/dbraw/zinc/64/29/50/525642950.db2.gz MGJXLMQMUDWUGO-SANMLTNESA-N 0 0 446.551 3.909 50 0 IHAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)n1C ZINC000012372071 525670678 /nfs/dbraw/zinc/67/06/78/525670678.db2.gz VTQSNYXYOAXVFZ-JOCHJYFZSA-N 0 0 439.581 3.964 50 0 IHAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3n2)cc1 ZINC000015659666 525732172 /nfs/dbraw/zinc/73/21/72/525732172.db2.gz ZSELJZHLIWSBJE-UHFFFAOYSA-N 0 0 437.853 3.765 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ncn3n2)cc1 ZINC000021024628 525736495 /nfs/dbraw/zinc/73/64/95/525736495.db2.gz YMAAULCXUPLSES-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN COc1cccc(-n2c3ncn(Cc4cccc(C)c4)c3c(=O)n(C3CCCC3)c2=O)c1 ZINC000034692781 525749193 /nfs/dbraw/zinc/74/91/93/525749193.db2.gz KRAVRLLHSIDPPY-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000020785086 525799340 /nfs/dbraw/zinc/79/93/40/525799340.db2.gz COTMVXBPVSVYST-HSZRJFAPSA-N 0 0 449.595 3.672 50 0 IHAARN COc1cccc(C(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000036045746 525808030 /nfs/dbraw/zinc/80/80/30/525808030.db2.gz QMWWAFQBZMHCRD-LOSJGSFVSA-N 0 0 444.531 3.876 50 0 IHAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nn32)cc1 ZINC000033260289 525862626 /nfs/dbraw/zinc/86/26/26/525862626.db2.gz VVCZBENSMLZMFX-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000012863963 525882989 /nfs/dbraw/zinc/88/29/89/525882989.db2.gz CUWCCCONWHQQCC-ZENTWMBTSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000033175383 525896135 /nfs/dbraw/zinc/89/61/35/525896135.db2.gz ZPKKKAUDZYURIE-UHFFFAOYSA-N 0 0 448.548 3.881 50 0 IHAARN C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012736800 525896306 /nfs/dbraw/zinc/89/63/06/525896306.db2.gz ADNUMCHGQUMZLQ-OAHLLOKOSA-N 0 0 431.448 3.619 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NCC(C)C)nnc2N2CCCCC2)cc1 ZINC000012537409 525903414 /nfs/dbraw/zinc/90/34/14/525903414.db2.gz RWKAOJXSWRKQEG-QGZVFWFLSA-N 0 0 444.605 3.528 50 0 IHAARN COc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000035527363 525930782 /nfs/dbraw/zinc/93/07/82/525930782.db2.gz AMTQDISQPWXWLL-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)NC(C)(C)C)CC2)c(C)c1 ZINC000036025998 525933510 /nfs/dbraw/zinc/93/35/10/525933510.db2.gz UUZFILOVGQZZEI-UHFFFAOYSA-N 0 0 435.576 3.761 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccccc3)CC2)c(C)c1 ZINC000036025908 525934891 /nfs/dbraw/zinc/93/48/91/525934891.db2.gz ILYBIIYDBGEVPI-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 ZINC000036025911 525934982 /nfs/dbraw/zinc/93/49/82/525934982.db2.gz SCJGIKYOKXPGMX-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCc1ccccc1Cl)nc2C ZINC000020563190 525936544 /nfs/dbraw/zinc/93/65/44/525936544.db2.gz SIYZSHWLACNEBP-INIZCTEOSA-N 0 0 435.915 3.730 50 0 IHAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2ccc(-n4cccn4)cc2)C3)n1 ZINC000011908927 525983879 /nfs/dbraw/zinc/98/38/79/525983879.db2.gz ODZHGXIALOTNGP-IBGZPJMESA-N 0 0 443.482 3.819 50 0 IHAARN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020681204 526012382 /nfs/dbraw/zinc/01/23/82/526012382.db2.gz IHZRBFTZQRNCKQ-NXTQRVMMSA-N 0 0 445.007 3.645 50 0 IHAARN C[C@@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)C(=O)N1CCc2ccccc2C1 ZINC000021699270 526012477 /nfs/dbraw/zinc/01/24/77/526012477.db2.gz OGSBADSTDZADOI-QGZVFWFLSA-N 0 0 425.602 3.915 50 0 IHAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000017278166 526014499 /nfs/dbraw/zinc/01/44/99/526014499.db2.gz QPXMYWLJYUINLN-SFHVURJKSA-N 0 0 449.580 3.564 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Br)cc1F ZINC000012903667 526035302 /nfs/dbraw/zinc/03/53/02/526035302.db2.gz UGYNSLWIISGAOD-ZDUSSCGKSA-N 0 0 432.297 3.800 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911765 526037588 /nfs/dbraw/zinc/03/75/88/526037588.db2.gz MAIKHZMCKWIVEH-UHFFFAOYSA-N 0 0 449.580 3.909 50 0 IHAARN Cc1cc(-c2cc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c3c(C)noc3n2)c(C)o1 ZINC000048278563 526037738 /nfs/dbraw/zinc/03/77/38/526037738.db2.gz YDILDYIAZZWWFA-UHFFFAOYSA-N 0 0 438.406 3.501 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCC4)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911860 526038150 /nfs/dbraw/zinc/03/81/50/526038150.db2.gz AHZUHRNIAPDULW-UHFFFAOYSA-N 0 0 447.564 3.699 50 0 IHAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)s2)n[nH]1 ZINC000020991920 526040817 /nfs/dbraw/zinc/04/08/17/526040817.db2.gz XPHIZODOSZDGGU-UHFFFAOYSA-N 0 0 436.990 3.919 50 0 IHAARN Cc1cc(-c2csc(NC(=O)CN3CSCC3=O)n2)c(C)n1CCc1ccccc1 ZINC000012388739 526048577 /nfs/dbraw/zinc/04/85/77/526048577.db2.gz NIHCUABPAQZXBZ-UHFFFAOYSA-N 0 0 440.594 3.943 50 0 IHAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NC(C)C)c2n1 ZINC000021654961 526114194 /nfs/dbraw/zinc/11/41/94/526114194.db2.gz DFBHQIIBKRNPMN-UHFFFAOYSA-N 0 0 437.887 3.600 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)cc(=O)oc2c1 ZINC000022752898 526128744 /nfs/dbraw/zinc/12/87/44/526128744.db2.gz BUQYDIOQGKXORD-UHFFFAOYSA-N 0 0 439.943 3.820 50 0 biogenic,in-vitro IHAARN Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000036041214 526133717 /nfs/dbraw/zinc/13/37/17/526133717.db2.gz CMWHGBRRAVYGOF-DHIUTWEWSA-N 0 0 442.515 3.896 50 0 IHAARN Cc1cc(=O)n2c3c(cc(S(=O)(=O)N(C)CC45CC6CC(CC(C6)C4)C5)cc31)CC2 ZINC000012444903 526142212 /nfs/dbraw/zinc/14/22/12/526142212.db2.gz NMSWTPOJSSNLCQ-UHFFFAOYSA-N 0 0 426.582 3.703 50 0 IHAARN Cc1cc(=O)n2nc(CSc3nc4ccccc4c(=O)n3C3CCCC3)sc2n1 ZINC000022038836 526145232 /nfs/dbraw/zinc/14/52/32/526145232.db2.gz PVIWDFWOVHYJLM-UHFFFAOYSA-N 0 0 425.539 3.577 50 0 IHAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012549910 526148041 /nfs/dbraw/zinc/14/80/41/526148041.db2.gz KQTLASXLCDOGMH-OAHLLOKOSA-N 0 0 435.446 3.626 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCc4ccccc4)[C@@H]3C2)c1 ZINC000035869981 526156940 /nfs/dbraw/zinc/15/69/40/526156940.db2.gz FUGGKNAXBBYLOD-BDYUSTAISA-N 0 0 441.575 3.922 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2=O)c1 ZINC000012797091 526163301 /nfs/dbraw/zinc/16/33/01/526163301.db2.gz WSNWSRJTNNORRW-OAHLLOKOSA-N 0 0 425.485 3.873 50 0 IHAARN Cc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)s1 ZINC000012164238 526176303 /nfs/dbraw/zinc/17/63/03/526176303.db2.gz FCVCBKWZWGSVOJ-SFHVURJKSA-N 0 0 427.547 3.861 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 ZINC000033293191 526184718 /nfs/dbraw/zinc/18/47/18/526184718.db2.gz RSWFRFZMZNVHCX-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN C[C@@H]1C(=O)N(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)N1c1ccc(F)cc1 ZINC000012760369 526200388 /nfs/dbraw/zinc/20/03/88/526200388.db2.gz AVVNECKOZDXPRV-OAHLLOKOSA-N 0 0 446.438 3.534 50 0 IHAARN COc1cccc(Nc2nnc(SCC(=O)c3ccc(CNC(C)=O)cc3)s2)c1 ZINC000012564510 526213064 /nfs/dbraw/zinc/21/30/64/526213064.db2.gz DNVBOIWEQQGGII-UHFFFAOYSA-N 0 0 428.539 3.901 50 0 IHAARN COc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 ZINC000021687397 526227287 /nfs/dbraw/zinc/22/72/87/526227287.db2.gz NFFQFIUQUDSWON-UHFFFAOYSA-N 0 0 441.528 3.681 50 0 IHAARN CSc1nnc(CNC(=O)c2cccc(-n3nc(C)cc3C)c2)n1Cc1ccccc1 ZINC000012156440 526228327 /nfs/dbraw/zinc/22/83/27/526228327.db2.gz VYKCXSWSDQESMQ-UHFFFAOYSA-N 0 0 432.553 3.781 50 0 IHAARN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)nc(C)n1 ZINC000012320618 526237152 /nfs/dbraw/zinc/23/71/52/526237152.db2.gz MOMSWOWTFIJPHW-UHFFFAOYSA-N 0 0 431.496 3.772 50 0 IHAARN COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)n2N)c1 ZINC000022282757 526237243 /nfs/dbraw/zinc/23/72/43/526237243.db2.gz LVBDFRAGZDWISB-KFKAGJAMSA-N 0 0 448.589 3.676 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)c2ccc(F)cc2n1 ZINC000012714071 526249706 /nfs/dbraw/zinc/24/97/06/526249706.db2.gz NXOGTBCMENIEPC-OAHLLOKOSA-N 0 0 447.557 3.575 50 0 IHAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)n1C(C)C ZINC000012913962 526253730 /nfs/dbraw/zinc/25/37/30/526253730.db2.gz NCJZNSOMVYBPMF-UHFFFAOYSA-N 0 0 441.956 3.625 50 0 IHAARN Cc1ccc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCCc3ccccn3)no2)c1 ZINC000036014821 526255496 /nfs/dbraw/zinc/25/54/96/526255496.db2.gz WPUBMCHANZQNRU-QFIPXVFZSA-N 0 0 432.524 3.707 50 0 IHAARN Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c1cnn2-c1ccccc1 ZINC000012227931 526269419 /nfs/dbraw/zinc/26/94/19/526269419.db2.gz LUUMTLIUGHWMGU-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035673197 526271823 /nfs/dbraw/zinc/27/18/23/526271823.db2.gz IUZVCGFHGWPHMA-UHFFFAOYSA-N 0 0 441.480 3.761 50 0 IHAARN O=C(C1=CCCC1)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020599816 526273610 /nfs/dbraw/zinc/27/36/10/526273610.db2.gz REBZGZZJJQRCOM-OKHPUOTASA-N 0 0 433.596 3.583 50 0 IHAARN O=C(C1=CCCC1)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020599817 526273820 /nfs/dbraw/zinc/27/38/20/526273820.db2.gz REBZGZZJJQRCOM-CCWPHWCFSA-N 0 0 433.596 3.583 50 0 IHAARN O=C(NCCCc1ccccc1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049692 526277244 /nfs/dbraw/zinc/27/72/44/526277244.db2.gz DQJGLULWCHXGOL-UHFFFAOYSA-N 0 0 436.943 3.945 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)cc12 ZINC000013126500 526289936 /nfs/dbraw/zinc/28/99/36/526289936.db2.gz SNACQKBTOAJEKF-FQEVSTJZSA-N 0 0 446.532 3.656 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012617883 526290481 /nfs/dbraw/zinc/29/04/81/526290481.db2.gz OGBYXGSYVVHQKN-UHFFFAOYSA-N 0 0 426.923 3.990 50 0 IHAARN O[C@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022918032 526292865 /nfs/dbraw/zinc/29/28/65/526292865.db2.gz NYMZQKZQOCHLAX-QHCPKHFHSA-N 0 0 446.547 3.640 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3C)c12 ZINC000012776066 526305412 /nfs/dbraw/zinc/30/54/12/526305412.db2.gz YNXFCNUJTRINAF-MRXNPFEDSA-N 0 0 442.516 3.677 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000012776504 526305790 /nfs/dbraw/zinc/30/57/90/526305790.db2.gz KWYBUCATVQOPPL-MRXNPFEDSA-N 0 0 444.944 3.882 50 0 IHAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3ccccc3C)c1)NC(=O)CCC2=O ZINC000033123069 526310114 /nfs/dbraw/zinc/31/01/14/526310114.db2.gz SVJJYAHLGDWJOF-UHFFFAOYSA-N 0 0 438.509 3.649 50 0 IHAARN O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020745512 526315680 /nfs/dbraw/zinc/31/56/80/526315680.db2.gz KTSPEILLNYPFJP-FQEVSTJZSA-N 0 0 428.330 3.874 50 0 IHAARN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1ccco1 ZINC000012629832 526379645 /nfs/dbraw/zinc/37/96/45/526379645.db2.gz BCWLOSUCCASTQI-UHFFFAOYSA-N 0 0 431.536 3.610 50 0 IHAARN Cc1nnc(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)n1-c1cc(C)ccc1C ZINC000012533444 526379600 /nfs/dbraw/zinc/37/96/00/526379600.db2.gz RDCVTWZXXGRKAP-UHFFFAOYSA-N 0 0 449.580 3.728 50 0 IHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012459565 526402285 /nfs/dbraw/zinc/40/22/85/526402285.db2.gz VXLDTLNGOBAHSU-GOSISDBHSA-N 0 0 436.449 3.985 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3cscn3)CC2)cc1 ZINC000012706090 526426399 /nfs/dbraw/zinc/42/63/99/526426399.db2.gz HTRVAGATUPSTMY-UHFFFAOYSA-N 0 0 435.549 3.799 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3cncs3)CC2)cc1 ZINC000012459499 526427179 /nfs/dbraw/zinc/42/71/79/526427179.db2.gz IRHVYOCAXBHZPZ-UHFFFAOYSA-N 0 0 435.549 3.799 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000032957620 526431620 /nfs/dbraw/zinc/43/16/20/526431620.db2.gz NQDKATISGROKRE-UHFFFAOYSA-N 0 0 439.427 3.890 50 0 IHAARN O=C(NCCc1cccs1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012134738 526445158 /nfs/dbraw/zinc/44/51/58/526445158.db2.gz ZNFQJMDFCKLKNK-UHFFFAOYSA-N 0 0 427.570 3.624 50 0 IHAARN O=C(CCCSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000012542929 526452736 /nfs/dbraw/zinc/45/27/36/526452736.db2.gz CFMWZFMSYVOUPG-UHFFFAOYSA-N 0 0 440.544 3.728 50 0 IHAARN O=C(CCCSc1nc2ccccc2s1)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000012538321 526453030 /nfs/dbraw/zinc/45/30/30/526453030.db2.gz RNVUPINDFKCGDN-UHFFFAOYSA-N 0 0 441.534 3.697 50 0 IHAARN Cc1csc2nc(COc3cccc(NC(=O)COc4ccc(C)cc4)c3)cc(=O)n12 ZINC000041085726 526455057 /nfs/dbraw/zinc/45/50/57/526455057.db2.gz QZQRKBQFOFGOJY-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)cc(=O)n12 ZINC000021633061 526455650 /nfs/dbraw/zinc/45/56/50/526455650.db2.gz GONIXVYWYCSPPU-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4cccs4)c3)cc(=O)n12 ZINC000021632989 526455694 /nfs/dbraw/zinc/45/56/94/526455694.db2.gz XXUNACJBVFYQKP-UHFFFAOYSA-N 0 0 425.491 3.735 50 0 IHAARN Cc1csc2nc(COc3ccccc3NC(=O)COc3ccccc3F)cc(=O)n12 ZINC000041077388 526456292 /nfs/dbraw/zinc/45/62/92/526456292.db2.gz PNXUSLPGBMJZKH-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN Cc1csc2nc(CSc3nnc(NC(=O)c4ccccc4F)s3)cc(=O)n12 ZINC000020984284 526456597 /nfs/dbraw/zinc/45/65/97/526456597.db2.gz XVVYKAUVLOBYLI-UHFFFAOYSA-N 0 0 433.515 3.600 50 0 IHAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000020995497 526461014 /nfs/dbraw/zinc/46/10/14/526461014.db2.gz OCKIUKYPPCTAAT-FLVLSHQESA-N 0 0 441.509 3.786 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000020489658 526469584 /nfs/dbraw/zinc/46/95/84/526469584.db2.gz CUQZYQIBHNMHKX-UHFFFAOYSA-N 0 0 432.499 3.522 50 0 IHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000020614419 526489781 /nfs/dbraw/zinc/48/97/81/526489781.db2.gz WQUKKRAJZQTVPR-QHCPKHFHSA-N 0 0 447.510 3.848 50 0 IHAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)no1 ZINC000033086397 526567200 /nfs/dbraw/zinc/56/72/00/526567200.db2.gz QVQVWRSWFFHIDW-UHFFFAOYSA-N 0 0 432.933 3.518 50 0 IHAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035980991 526599497 /nfs/dbraw/zinc/59/94/97/526599497.db2.gz BNTWESYMOPNHTI-QAPCUYQASA-N 0 0 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431.458 3.693 50 0 IHAARN O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccccc1F ZINC000021942471 526823188 /nfs/dbraw/zinc/82/31/88/526823188.db2.gz XHYGZTQLCCILPM-UHFFFAOYSA-N 0 0 443.887 3.875 50 0 IHAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(Cl)cc2)C(=O)N1c1nonc1-n1cccc1 ZINC000012360565 526839525 /nfs/dbraw/zinc/83/95/25/526839525.db2.gz BNCRUYXZGOHQEJ-GMNUZNGISA-N 0 0 437.872 3.959 50 0 IHAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012318666 526863742 /nfs/dbraw/zinc/86/37/42/526863742.db2.gz OHCCSDKBYAKPOS-UHFFFAOYSA-N 0 0 443.473 3.892 50 0 IHAARN O=C(CNC(=O)c1ccccc1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308215 526864264 /nfs/dbraw/zinc/86/42/64/526864264.db2.gz OSCIJTDMUXIWJD-UHFFFAOYSA-N 0 0 428.448 3.684 50 0 IHAARN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000020865971 526889130 /nfs/dbraw/zinc/88/91/30/526889130.db2.gz MAFPGFWYYXEUQZ-NRFANRHFSA-N 0 0 445.567 3.918 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)c2)cs1 ZINC000089712515 526908486 /nfs/dbraw/zinc/90/84/86/526908486.db2.gz BJMAPECNEFCJMO-UTKZUKDTSA-N 0 0 425.554 3.646 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2)cs1 ZINC000012894969 526910281 /nfs/dbraw/zinc/91/02/81/526910281.db2.gz BJUREDDNIBUBHE-CQSZACIVSA-N 0 0 430.551 3.925 50 0 IHAARN O=C(COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)N1CCCCCCC1 ZINC000019125015 526918146 /nfs/dbraw/zinc/91/81/46/526918146.db2.gz RCIVXGJWEGWPTD-UHFFFAOYSA-N 0 0 442.537 3.954 50 0 IHAARN O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000013943977 526924801 /nfs/dbraw/zinc/92/48/01/526924801.db2.gz USALSDPNWKLQNP-UHFFFAOYSA-N 0 0 445.519 3.783 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035723489 526950878 /nfs/dbraw/zinc/95/08/78/526950878.db2.gz RPULLYDMJFSRCB-KRWDZBQOSA-N 0 0 442.928 3.867 50 0 IHAARN O=C(N[C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000012336404 527005938 /nfs/dbraw/zinc/00/59/38/527005938.db2.gz UGNVJLOMZYWKCH-NRFANRHFSA-N 0 0 425.462 3.814 50 0 IHAARN Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)c3ccccc3)CC2)c1=S ZINC000012853339 527016752 /nfs/dbraw/zinc/01/67/52/527016752.db2.gz CMDOCSPFMTURNL-UHFFFAOYSA-N 0 0 427.961 3.687 50 0 IHAARN Cc1nc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@@H]2CCCO2)c1C ZINC000020990500 527022871 /nfs/dbraw/zinc/02/28/71/527022871.db2.gz WLUUINYZZOPGAS-FPOVZHCZSA-N 0 0 428.602 3.508 50 0 IHAARN Cn1c(CCNC(=O)C2(c3ccccc3)CCCCC2)nnc1SC[C@H]1CCCO1 ZINC000014980355 527048514 /nfs/dbraw/zinc/04/85/14/527048514.db2.gz OVJURDNBLOMXSA-LJQANCHMSA-N 0 0 428.602 3.647 50 0 IHAARN O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccc(F)cc1 ZINC000001079265 527054691 /nfs/dbraw/zinc/05/46/91/527054691.db2.gz KOLAPMZWNHXLQY-UHFFFAOYSA-N 0 0 430.553 3.722 50 0 IHAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000012694974 527060911 /nfs/dbraw/zinc/06/09/11/527060911.db2.gz WKATUKULOJLLAM-QHCPKHFHSA-N 0 0 448.544 3.687 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1cccnc1 ZINC000012376389 527087816 /nfs/dbraw/zinc/08/78/16/527087816.db2.gz CQZIYCPASZXYMU-JOCHJYFZSA-N 0 0 438.409 3.559 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000012526875 527091413 /nfs/dbraw/zinc/09/14/13/527091413.db2.gz MVHVXEGOIWVJPO-MRXNPFEDSA-N 0 0 447.442 3.666 50 0 IHAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012789436 527095312 /nfs/dbraw/zinc/09/53/12/527095312.db2.gz KGNVUPPQUCVTDI-QUCCMNQESA-N 0 0 443.960 3.503 50 0 IHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012772218 527099684 /nfs/dbraw/zinc/09/96/84/527099684.db2.gz YGVGXHDWMQHDPG-UHFFFAOYSA-N 0 0 449.433 3.930 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)C1CCCCC1 ZINC000012549202 527129927 /nfs/dbraw/zinc/12/99/27/527129927.db2.gz BOTXPDXUIBEQOP-UHFFFAOYSA-N 0 0 434.480 3.931 50 0 IHAARN Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCc2ccccc2)c2ccccc21 ZINC000021533100 527132389 /nfs/dbraw/zinc/13/23/89/527132389.db2.gz NPCBLIBGOFQEIH-UHFFFAOYSA-N 0 0 441.535 3.875 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCC1=CCCCC1 ZINC000012233003 527136873 /nfs/dbraw/zinc/13/68/73/527136873.db2.gz BLRMLKMWDMGLNQ-GOSISDBHSA-N 0 0 435.553 3.626 50 0 IHAARN O=C(Nc1ccc(Br)cc1)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000035432324 527155875 /nfs/dbraw/zinc/15/58/75/527155875.db2.gz XLOXXFBJUTZSQK-UHFFFAOYSA-N 0 0 445.292 3.531 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000012621969 527157516 /nfs/dbraw/zinc/15/75/16/527157516.db2.gz MJXXTGBVHUVAEC-UHFFFAOYSA-N 0 0 438.487 3.839 50 0 IHAARN O=C(C[C@](O)(c1ccccc1)C(F)(F)F)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012905174 527187237 /nfs/dbraw/zinc/18/72/37/527187237.db2.gz ZZNICNSXFLGPOS-QHCPKHFHSA-N 0 0 449.469 3.851 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011998579 527193128 /nfs/dbraw/zinc/19/31/28/527193128.db2.gz MECCHYJBJHOESW-HNNXBMFYSA-N 0 0 433.892 3.955 50 0 IHAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(N2CCN(c3ccccc3F)CC2)c1C ZINC000021941636 527199570 /nfs/dbraw/zinc/19/95/70/527199570.db2.gz KVSHLLVEUHVENK-UHFFFAOYSA-N 0 0 434.494 3.937 50 0 IHAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000022357665 527229502 /nfs/dbraw/zinc/22/95/02/527229502.db2.gz URWWWPRWGDVVEQ-UHFFFAOYSA-N 0 0 448.894 3.670 50 0 IHAARN O=S(=O)(c1cccc(CSc2nccn2-c2cccc(Cl)c2)c1)N1CCOCC1 ZINC000022079889 527282824 /nfs/dbraw/zinc/28/28/24/527282824.db2.gz LRKOKGQUOVVSSW-UHFFFAOYSA-N 0 0 449.985 3.839 50 0 IHAARN O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCC2(CC1)OCCO2 ZINC000012322529 527323458 /nfs/dbraw/zinc/32/34/58/527323458.db2.gz ZJLXTFQCTLUNJY-UHFFFAOYSA-N 0 0 428.432 3.617 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)s1 ZINC000033113452 527345238 /nfs/dbraw/zinc/34/52/38/527345238.db2.gz IQSCRECGDXXTHI-BBRMVZONSA-N 0 0 449.964 3.512 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O)Nc1ccccc1F ZINC000012140763 527357692 /nfs/dbraw/zinc/35/76/92/527357692.db2.gz HZOFLIUSAWXPHE-UHFFFAOYSA-N 0 0 447.397 3.816 50 0 IHAARN O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccccc1F ZINC000020859367 527367760 /nfs/dbraw/zinc/36/77/60/527367760.db2.gz PTFBUVFIRUBUCP-UHFFFAOYSA-N 0 0 436.468 3.999 50 0 IHAARN O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccc(F)cc1 ZINC000020859354 527368341 /nfs/dbraw/zinc/36/83/41/527368341.db2.gz XENBDPUODPZKHB-UHFFFAOYSA-N 0 0 436.468 3.999 50 0 IHAARN O=C(Cn1cccn1)N(Cc1cccc(OCCc2ccsc2)c1)C[C@H]1CCCO1 ZINC000012150021 527387345 /nfs/dbraw/zinc/38/73/45/527387345.db2.gz SUYOYTLTNYDHBE-JOCHJYFZSA-N 0 0 425.554 3.774 50 0 IHAARN O=C(Nc1ccccc1)c1ccc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)cc1 ZINC000012581562 527398922 /nfs/dbraw/zinc/39/89/22/527398922.db2.gz QQQVWHHJRFZTGE-UHFFFAOYSA-N 0 0 433.489 3.534 50 0 IHAARN O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Cl)cc1 ZINC000022768090 527415717 /nfs/dbraw/zinc/41/57/17/527415717.db2.gz BPWQLWMJFAOIJF-UHFFFAOYSA-N 0 0 437.862 3.891 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NCCc1ccccc1 ZINC000023139694 527418366 /nfs/dbraw/zinc/41/83/66/527418366.db2.gz YKCKYHMKDWRITD-UHFFFAOYSA-N 0 0 440.956 3.895 50 0 IHAARN O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024257382 527424274 /nfs/dbraw/zinc/42/42/74/527424274.db2.gz AYGFDGXLXXZGIY-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN O=C(Cn1nnc(COc2ccccc2)n1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012688698 527429945 /nfs/dbraw/zinc/42/99/45/527429945.db2.gz CGAJKGCMKQVFJN-SFHVURJKSA-N 0 0 434.525 3.616 50 0 IHAARN O=c1cc(COc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc2sccn21 ZINC000020859405 527481102 /nfs/dbraw/zinc/48/11/02/527481102.db2.gz BWAQNEMQHAJQCQ-UHFFFAOYSA-N 0 0 447.925 3.789 50 0 IHAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000012192656 527511104 /nfs/dbraw/zinc/51/11/04/527511104.db2.gz BNOAPAYDDDOTRO-UHFFFAOYSA-N 0 0 444.915 3.858 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCCN(C(=O)c4ccco4)CC3)c12 ZINC000036024871 527524495 /nfs/dbraw/zinc/52/44/95/527524495.db2.gz MFFINMBVUQUYLD-UHFFFAOYSA-N 0 0 430.512 3.686 50 0 IHAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)sc21 ZINC000020616158 527551078 /nfs/dbraw/zinc/55/10/78/527551078.db2.gz VRDISSIRVJVHKT-UHFFFAOYSA-N 0 0 426.439 3.751 50 0 IHAARN O=C(NCC1(O)CCCCC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012075766 527576047 /nfs/dbraw/zinc/57/60/47/527576047.db2.gz WKHYBCYCPKYQRP-UHFFFAOYSA-N 0 0 434.584 3.660 50 0 IHAARN O=C(/C=C/c1ccc(Br)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012768124 527606361 /nfs/dbraw/zinc/60/63/61/527606361.db2.gz BPFPWYIRRJPRBT-VQHVLOKHSA-N 0 0 441.372 3.947 50 0 IHAARN CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000009118994 535152289 /nfs/dbraw/zinc/15/22/89/535152289.db2.gz ZZGBIENYAWJMAG-UHFFFAOYSA-N 0 0 444.528 3.610 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1)c1ccccc1 ZINC000013658903 535403743 /nfs/dbraw/zinc/40/37/43/535403743.db2.gz BMXMQILZSCNEEG-HXUWFJFHSA-N 0 0 430.508 3.715 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 ZINC000011697257 535526671 /nfs/dbraw/zinc/52/66/71/535526671.db2.gz WBGAPSTYJOVKAG-UHFFFAOYSA-N 0 0 433.516 3.676 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCN(C)CC1 ZINC000002358201 535672487 /nfs/dbraw/zinc/67/24/87/535672487.db2.gz BDUZBDFDXCSFOR-UHFFFAOYSA-N 0 0 425.558 3.980 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1 ZINC000009485079 535998677 /nfs/dbraw/zinc/99/86/77/535998677.db2.gz BOLDGDUTYJAISP-QGZVFWFLSA-N 0 0 437.569 3.921 50 0 IHAARN CCn1cc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c2cc(OC)c(OC)cc2c1=O ZINC000009776661 536027709 /nfs/dbraw/zinc/02/77/09/536027709.db2.gz DCEGGKYDOBXRLC-SFHVURJKSA-N 0 0 449.551 3.698 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)c2ccccc2O1 ZINC000006846874 536117068 /nfs/dbraw/zinc/11/70/68/536117068.db2.gz AXHGFOJJDZLYFA-IBGZPJMESA-N 0 0 425.504 3.952 50 0 IHAARN COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)c1 ZINC000013659171 536823430 /nfs/dbraw/zinc/82/34/30/536823430.db2.gz ITISOXFLNBORAS-UHFFFAOYSA-N 0 0 438.915 3.777 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000007752262 537066363 /nfs/dbraw/zinc/06/63/63/537066363.db2.gz QOEMDYGGWXWJDM-UHFFFAOYSA-N 0 0 425.529 3.682 50 0 IHAARN CCCc1c(C)c2c(O[C@@H](C)C(=O)OCC)cc(O[C@@H](C)C(=O)OCC)cc2oc1=O ZINC000000627794 555513410 /nfs/dbraw/zinc/51/34/10/555513410.db2.gz HWTRYCHJYHYCNK-GJZGRUSLSA-N 0 0 434.485 3.715 50 0 IHAARN Cn1c2nc(SCc3ccc(F)cc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000629285 555514073 /nfs/dbraw/zinc/51/40/73/555514073.db2.gz LFHCHLJHMPRBKS-UHFFFAOYSA-N 0 0 444.919 3.567 50 0 IHAARN O=c1oc2ccc(Br)cc2cc1C1=CSc2nc3ccccc3c(=O)n2N1 ZINC000000633686 555515768 /nfs/dbraw/zinc/51/57/68/555515768.db2.gz UVGLOVVIKNJCRW-UHFFFAOYSA-N 0 0 440.278 3.624 50 0 IHAARN C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000000634919 555516654 /nfs/dbraw/zinc/51/66/54/555516654.db2.gz MJFCAKYNLHDGAY-AWEZNQCLSA-N 0 0 440.956 3.989 50 0 IHAARN Cc1cccc(Cn2c(SCc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000638018 555517279 /nfs/dbraw/zinc/51/72/79/555517279.db2.gz MKCBXOVXKPYFOO-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000000646432 555521058 /nfs/dbraw/zinc/52/10/58/555521058.db2.gz SGIXCBQIWNESFK-FQEVSTJZSA-N 0 0 435.484 3.540 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)c1 ZINC000000649472 555522472 /nfs/dbraw/zinc/52/24/72/555522472.db2.gz HFEHCWNJIIJSGS-UHFFFAOYSA-N 0 0 440.525 3.881 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000665016 555527979 /nfs/dbraw/zinc/52/79/79/555527979.db2.gz PBUUFPPCLHPYIE-MUMAZLPKSA-N 0 0 444.965 3.513 50 0 IHAARN Cc1c(CNC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cnn1C ZINC000000672173 555531990 /nfs/dbraw/zinc/53/19/90/555531990.db2.gz HCTQBKDUMUBVQR-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc(Cl)c1OC(C)=O ZINC000000677049 555535415 /nfs/dbraw/zinc/53/54/15/555535415.db2.gz LRSWYANUPQMKCQ-CHHVJCJISA-N 0 0 429.812 3.737 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Br)ccc1O ZINC000000683200 555538708 /nfs/dbraw/zinc/53/87/08/555538708.db2.gz HLQNWPHMAUVVPQ-UHFFFAOYSA-N 0 0 429.064 3.956 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 ZINC000000687572 555540732 /nfs/dbraw/zinc/54/07/32/555540732.db2.gz HMCKULXRVRIKTF-UHFFFAOYSA-N 0 0 440.525 3.785 50 0 IHAARN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000000687568 555540810 /nfs/dbraw/zinc/54/08/10/555540810.db2.gz FRZVNPIKTAAYPL-UHFFFAOYSA-N 0 0 440.525 3.703 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2cccc(NC(=O)c3cc(OC)cc(OC)c3)n2)c1 ZINC000000705576 555544677 /nfs/dbraw/zinc/54/46/77/555544677.db2.gz HLPGQLZRWOUVNI-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000000724942 555551377 /nfs/dbraw/zinc/55/13/77/555551377.db2.gz ISBSHOKNWSDNGA-OAQYLSRUSA-N 0 0 438.459 3.857 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000000725010 555551420 /nfs/dbraw/zinc/55/14/20/555551420.db2.gz MRHTYIHFOWEGIB-UHFFFAOYSA-N 0 0 449.985 3.889 50 0 IHAARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2I)NC(=O)N1C ZINC000000728158 555551896 /nfs/dbraw/zinc/55/18/96/555551896.db2.gz BJKCPFJYELHPRI-MRXNPFEDSA-N 0 0 440.281 3.747 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1[C@H](C(=O)OC)CC2 ZINC000000729908 555552899 /nfs/dbraw/zinc/55/28/99/555552899.db2.gz CJYHZMKQISGERE-SNVBAGLBSA-N 0 0 438.299 3.752 50 0 IHAARN Cc1cccc(CN(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000780405 555554676 /nfs/dbraw/zinc/55/46/76/555554676.db2.gz ZSANUJICGRVWIN-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN CN(Cc1ccco1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009319724 555555156 /nfs/dbraw/zinc/55/51/56/555555156.db2.gz REKMPGJRBKOQQP-UHFFFAOYSA-N 0 0 442.493 3.514 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000000786468 555556329 /nfs/dbraw/zinc/55/63/29/555556329.db2.gz QZENAPGAJDNIIA-UHFFFAOYSA-N 0 0 434.867 3.951 50 0 IHAARN O=C(NCc1ccco1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000000795640 555557999 /nfs/dbraw/zinc/55/79/99/555557999.db2.gz DJAOZWVSGOLVSX-GOSISDBHSA-N 0 0 438.505 3.928 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1Cl ZINC000000797728 555558622 /nfs/dbraw/zinc/55/86/22/555558622.db2.gz DNUQNTNCGRCGNF-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000000810277 555560659 /nfs/dbraw/zinc/56/06/59/555560659.db2.gz HQSOCASKWRIRFC-UHFFFAOYSA-N 0 0 442.880 3.916 50 0 IHAARN Cc1cc2nc3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n3c2cc1C ZINC000000832912 555566504 /nfs/dbraw/zinc/56/65/04/555566504.db2.gz XAPSNQMIGCAGJR-FMQZQXMHSA-N 0 0 429.295 3.565 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CCCCC2)C(C)C)cc1 ZINC000000846190 555569613 /nfs/dbraw/zinc/56/96/13/555569613.db2.gz FQFMJUFDHSWLAX-QFIPXVFZSA-N 0 0 437.540 3.714 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2OC(F)F)c1 ZINC000009441130 555570786 /nfs/dbraw/zinc/57/07/86/555570786.db2.gz JQEZLSJWYZSBND-SFHVURJKSA-N 0 0 449.479 3.737 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc(OC)c1OC ZINC000000873206 555575888 /nfs/dbraw/zinc/57/58/88/555575888.db2.gz HGVNQSYFDZFXPH-UHFFFAOYSA-N 0 0 448.932 3.892 50 0 IHAARN Cc1ccc(CN(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000920762 555584695 /nfs/dbraw/zinc/58/46/95/555584695.db2.gz ABLDZKMSNTVXHG-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(C)c(C)c3c1=O)CCCC2 ZINC000000951876 555589312 /nfs/dbraw/zinc/58/93/12/555589312.db2.gz AQDQIUZAGKIBPL-UHFFFAOYSA-N 0 0 445.566 3.831 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000000954954 555590103 /nfs/dbraw/zinc/59/01/03/555590103.db2.gz SYTSGNKLEUVBEA-UHFFFAOYSA-N 0 0 447.509 3.616 50 0 IHAARN COC(=O)c1ccc(Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1 ZINC000000955599 555590241 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/nfs/dbraw/zinc/61/66/76/555616676.db2.gz RUTHXKPXYSSRSO-UHFFFAOYSA-N 0 0 439.379 3.974 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000001061901 555616734 /nfs/dbraw/zinc/61/67/34/555616734.db2.gz PQCXBZPQEQHKRD-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CC(C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000001065866 555618360 /nfs/dbraw/zinc/61/83/60/555618360.db2.gz AYHWSUHEZGZAIC-UHFFFAOYSA-N 0 0 425.348 3.832 50 0 IHAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000001111076 555631750 /nfs/dbraw/zinc/63/17/50/555631750.db2.gz JTKFIRJHPKPPRW-AWEZNQCLSA-N 0 0 425.348 3.859 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)cc1 ZINC000001111761 555632066 /nfs/dbraw/zinc/63/20/66/555632066.db2.gz CBDXJOIADYDBPN-GOSISDBHSA-N 0 0 440.301 3.977 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1OC ZINC000001114750 555633670 /nfs/dbraw/zinc/63/36/70/555633670.db2.gz XSORVDYFGCTEAZ-SFHVURJKSA-N 0 0 428.794 3.858 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000001128208 555642543 /nfs/dbraw/zinc/64/25/43/555642543.db2.gz VXRJXEOGDPNYEK-GFCCVEGCSA-N 0 0 447.923 3.829 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)cc1 ZINC000001135593 555646839 /nfs/dbraw/zinc/64/68/39/555646839.db2.gz FDBASNDUCJANNZ-OAQYLSRUSA-N 0 0 426.494 3.822 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccccc2)cc1 ZINC000001137699 555647737 /nfs/dbraw/zinc/64/77/37/555647737.db2.gz IJBZZGZGIDETQL-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001138165 555648008 /nfs/dbraw/zinc/64/80/08/555648008.db2.gz MKINKIJKMMRCEL-CYBMUJFWSA-N 0 0 426.922 3.541 50 0 IHAARN O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 ZINC000001138206 555648180 /nfs/dbraw/zinc/64/81/80/555648180.db2.gz IDFMNIRKYPMWOG-UHFFFAOYSA-N 0 0 427.353 3.807 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000001144734 555652450 /nfs/dbraw/zinc/65/24/50/555652450.db2.gz GMKTUPHAAHQFCI-QGZVFWFLSA-N 0 0 437.569 3.962 50 0 IHAARN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000001145892 555653214 /nfs/dbraw/zinc/65/32/14/555653214.db2.gz HYMUKTJVRDRWLM-UHFFFAOYSA-N 0 0 438.549 3.788 50 0 IHAARN COc1ccccc1OCC(=O)Nc1ccccc1NC(=O)COc1ccccc1OC ZINC000001150162 555655878 /nfs/dbraw/zinc/65/58/78/555655878.db2.gz SWPQDXXCUUMPQD-UHFFFAOYSA-N 0 0 436.464 3.739 50 0 IHAARN O=C(CNC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000001153255 555657540 /nfs/dbraw/zinc/65/75/40/555657540.db2.gz POKVWKRHVSNHLD-UHFFFAOYSA-N 0 0 449.960 3.776 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3C2=O)cc1 ZINC000001155499 555658695 /nfs/dbraw/zinc/65/86/95/555658695.db2.gz QHXLFZRMLRBOEC-UHFFFAOYSA-N 0 0 433.391 3.675 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)n2C)cc1 ZINC000001181784 555672245 /nfs/dbraw/zinc/67/22/45/555672245.db2.gz RYYQRDLQHOJMQP-UHFFFAOYSA-N 0 0 425.514 3.570 50 0 IHAARN CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000001195863 555676701 /nfs/dbraw/zinc/67/67/01/555676701.db2.gz LDTSOCPQMPLXBW-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001203199 555679414 /nfs/dbraw/zinc/67/94/14/555679414.db2.gz SGNKJAZJARROKO-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 ZINC000001209032 555681597 /nfs/dbraw/zinc/68/15/97/555681597.db2.gz XYPBAJFWYYKCKO-UHFFFAOYSA-N 0 0 440.411 3.832 50 0 IHAARN O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001236648 555687190 /nfs/dbraw/zinc/68/71/90/555687190.db2.gz XOLXVSHDWIQTTO-KPKJPENVSA-N 0 0 449.985 3.651 50 0 IHAARN Nc1cc(=O)nc(SCC(=O)Nc2cccc3ccccc32)n1CCc1ccccc1 ZINC000001444512 555698480 /nfs/dbraw/zinc/69/84/80/555698480.db2.gz VBYRSKKBXNCFSF-UHFFFAOYSA-N 0 0 430.533 3.952 50 0 IHAARN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002078016 555736307 /nfs/dbraw/zinc/73/63/07/555736307.db2.gz KTLCVAXDQVPFSH-UHFFFAOYSA-N 0 0 434.286 3.993 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000002078723 555736354 /nfs/dbraw/zinc/73/63/54/555736354.db2.gz XFLPUEWPKJQLLV-CHWSQXEVSA-N 0 0 441.347 3.961 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890645 555748815 /nfs/dbraw/zinc/74/88/15/555748815.db2.gz OAOFQJQJBQMFRM-IBGZPJMESA-N 0 0 448.564 3.955 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002257381 555763139 /nfs/dbraw/zinc/76/31/39/555763139.db2.gz JISRWZNSSTYGFG-MRXNPFEDSA-N 0 0 435.324 3.764 50 0 IHAARN CCCCN(C)S(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC ZINC000002399454 555775878 /nfs/dbraw/zinc/77/58/78/555775878.db2.gz DNPPQGYHEYSVOO-UHFFFAOYSA-N 0 0 439.541 3.682 50 0 IHAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000002422391 555777686 /nfs/dbraw/zinc/77/76/86/555777686.db2.gz FKTRRDHYXLAZJL-UHFFFAOYSA-N 0 0 444.944 3.668 50 0 IHAARN NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002461008 555782948 /nfs/dbraw/zinc/78/29/48/555782948.db2.gz UVBCYCNGEMRVOA-UHFFFAOYSA-N 0 0 426.878 3.544 50 0 IHAARN CN1CCN(C(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)c3ccco3)cc2)CC1 ZINC000034675523 555794163 /nfs/dbraw/zinc/79/41/63/555794163.db2.gz GGHIPNYIYFVWHY-UHFFFAOYSA-N 0 0 435.499 3.582 50 0 IHAARN CC(C)CN(C[C@H]1CN(Cc2ccc(F)cc2)CCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000034687038 555802759 /nfs/dbraw/zinc/80/27/59/555802759.db2.gz GNLCAFBERUBBOX-OAQYLSRUSA-N 0 0 428.504 3.554 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000034693941 555808517 /nfs/dbraw/zinc/80/85/17/555808517.db2.gz YMYGKVSJJABUTH-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN CC1(C)COP(=O)([C@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)OC1 ZINC000002810207 555827014 /nfs/dbraw/zinc/82/70/14/555827014.db2.gz QWZTWQSSRYKZTE-NSHDSACASA-N 0 0 436.681 3.927 50 0 IHAARN CCC(=O)NC(=S)Nc1ccc(Oc2ccc(NC(=S)NC(=O)CC)cc2)cc1 ZINC000002826776 555831441 /nfs/dbraw/zinc/83/14/41/555831441.db2.gz UXERBWZPULYOLY-UHFFFAOYSA-N 0 0 430.555 3.925 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 ZINC000002841540 555835816 /nfs/dbraw/zinc/83/58/16/555835816.db2.gz MCJIPRUIXYJXBY-UHFFFAOYSA-N 0 0 430.460 3.786 50 0 IHAARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000002853173 555840442 /nfs/dbraw/zinc/84/04/42/555840442.db2.gz HHELOBHTBTVMMO-UHFFFAOYSA-N 0 0 438.461 3.818 50 0 IHAARN CCOC(=O)c1c(NC(=S)NNC(=S)NC2CCCCC2)sc2c1CCCC2 ZINC000002855991 555841693 /nfs/dbraw/zinc/84/16/93/555841693.db2.gz ZZJXNARNQLMGBD-UHFFFAOYSA-N 0 0 440.660 3.802 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3cccc4ccccc43)CC2)cc1 ZINC000002856098 555841704 /nfs/dbraw/zinc/84/17/04/555841704.db2.gz IQQOPEDXCHWVGU-UHFFFAOYSA-N 0 0 425.579 3.852 50 0 IHAARN O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000002866516 555847440 /nfs/dbraw/zinc/84/74/40/555847440.db2.gz PBJSNMKMAPCLFR-UHFFFAOYSA-N 0 0 442.471 3.948 50 0 IHAARN CC(C)COC(=O)C(C(=O)OCC(C)C)n1c(=O)sc2cc(Br)ccc21 ZINC000002870844 555849675 /nfs/dbraw/zinc/84/96/75/555849675.db2.gz SUAHHZGPLPDSEH-UHFFFAOYSA-N 0 0 444.347 3.765 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000002884375 555857181 /nfs/dbraw/zinc/85/71/81/555857181.db2.gz RUIVGAGVWYCKOK-UHFFFAOYSA-N 0 0 428.485 3.809 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2nc(SC)ncc2Cl)c(C(=O)OCC)c1C ZINC000002890571 555859552 /nfs/dbraw/zinc/85/95/52/555859552.db2.gz MFUFWDNRWZRKHW-UHFFFAOYSA-N 0 0 443.934 3.828 50 0 IHAARN COc1cc2nc(-c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)oc(=O)c2cc1OC ZINC000002942612 555865107 /nfs/dbraw/zinc/86/51/07/555865107.db2.gz CCTKIUSXPHBHMD-UHFFFAOYSA-N 0 0 428.400 3.673 50 0 IHAARN COc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002948086 555865816 /nfs/dbraw/zinc/86/58/16/555865816.db2.gz XCQFWTOGWJAPEX-IBGZPJMESA-N 0 0 438.549 3.810 50 0 IHAARN COc1ccc(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1OC ZINC000002951989 555865973 /nfs/dbraw/zinc/86/59/73/555865973.db2.gz ADSCIOFMDNPRCP-AWEZNQCLSA-N 0 0 442.796 3.849 50 0 IHAARN COc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000002960117 555867620 /nfs/dbraw/zinc/86/76/20/555867620.db2.gz UUVQZZBNXFUTGC-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COc1cccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000002979854 555871783 /nfs/dbraw/zinc/87/17/83/555871783.db2.gz NGCSTPJKJFPEAN-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000002993901 555875710 /nfs/dbraw/zinc/87/57/10/555875710.db2.gz RGTZOXLEPYPPPP-CYBMUJFWSA-N 0 0 440.521 3.674 50 0 IHAARN O=C(c1cccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)c1)N1CCOCC1 ZINC000034761083 555904116 /nfs/dbraw/zinc/90/41/16/555904116.db2.gz TUOXJHMKGOTVNP-UYRXBGFRSA-N 0 0 426.469 3.535 50 0 IHAARN O=C(NCc1ccccc1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811654 555909406 /nfs/dbraw/zinc/90/94/06/555909406.db2.gz CFZVDUYKRHCEIO-UHFFFAOYSA-N 0 0 429.307 3.776 50 0 IHAARN Cc1ccccc1CC(=O)N1CCc2n[nH]c(C(=O)N[C@@H]3CCCc4ccccc43)c2C1 ZINC000034797181 555918644 /nfs/dbraw/zinc/91/86/44/555918644.db2.gz PLWJIUGQRIARMH-JOCHJYFZSA-N 0 0 428.536 3.653 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000034899597 555928971 /nfs/dbraw/zinc/92/89/71/555928971.db2.gz YUWQPSRIHQKWRS-DNQXCXABSA-N 0 0 447.579 3.705 50 0 IHAARN Cc1cccc([C@H]2[C@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924184 555932954 /nfs/dbraw/zinc/93/29/54/555932954.db2.gz RGKLUGSYNBMNSQ-RPBOFIJWSA-N 0 0 445.563 3.567 50 0 IHAARN O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O)Nc1ccccc1 ZINC000003659154 555944532 /nfs/dbraw/zinc/94/45/32/555944532.db2.gz APDSIBOAHPMLJU-KGENOOAVSA-N 0 0 445.450 3.936 50 0 IHAARN COc1ccccc1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670132 555945331 /nfs/dbraw/zinc/94/53/31/555945331.db2.gz AIHMUMURGVIVAF-QHCPKHFHSA-N 0 0 437.883 3.862 50 0 IHAARN CCCOc1ccc([C@@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000003669237 555945466 /nfs/dbraw/zinc/94/54/66/555945466.db2.gz RUSVMJBSXCMMOV-NRFANRHFSA-N 0 0 426.538 3.977 50 0 IHAARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 ZINC000004083935 555959538 /nfs/dbraw/zinc/95/95/38/555959538.db2.gz ZSRBNFBSUHAJRC-SFHVURJKSA-N 0 0 431.286 3.699 50 0 IHAARN CCc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000004112430 555963428 /nfs/dbraw/zinc/96/34/28/555963428.db2.gz AHHPOYJXGWZWQZ-MVOHMCPASA-N 0 0 432.557 3.972 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(SCc3ccccc3F)=NC2=N1 ZINC000004574835 556002349 /nfs/dbraw/zinc/00/23/49/556002349.db2.gz XDPGFVIUMIDFTN-QGZVFWFLSA-N 0 0 429.908 3.759 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 ZINC000004733122 556008501 /nfs/dbraw/zinc/00/85/01/556008501.db2.gz NWNVNPDMHWCRBP-PKTZIBPZSA-N 0 0 447.491 3.657 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NC1CCCCCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733571 556008847 /nfs/dbraw/zinc/00/88/47/556008847.db2.gz CTCWHUPUVSPIHS-XZOQPEGZSA-N 0 0 437.540 3.848 50 0 IHAARN O=C(COc1ccccc1)N[C@H](C(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005077494 556031346 /nfs/dbraw/zinc/03/13/46/556031346.db2.gz CFNORSCJMXXUGN-LZGZYFLISA-N 0 0 425.554 3.862 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)Nc2c(C)cccc2C(C)C)no1 ZINC000010570145 556072817 /nfs/dbraw/zinc/07/28/17/556072817.db2.gz OAMCCRWYIYINOG-HNNXBMFYSA-N 0 0 433.530 3.657 50 0 IHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000006088655 556075503 /nfs/dbraw/zinc/07/55/03/556075503.db2.gz NAAXUAVLJVVTJO-FQEVSTJZSA-N 0 0 440.525 3.690 50 0 IHAARN COc1ccc(N2C(=S)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000006157391 556078929 /nfs/dbraw/zinc/07/89/29/556078929.db2.gz XLUBJAPNKGPJRX-IAGOWNOFSA-N 0 0 443.377 3.779 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1 ZINC000006442285 556087690 /nfs/dbraw/zinc/08/76/90/556087690.db2.gz ZTDSMJPBQBCLFJ-QFIPXVFZSA-N 0 0 444.491 3.765 50 0 IHAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(F)cc1Cl ZINC000006456756 556088949 /nfs/dbraw/zinc/08/89/49/556088949.db2.gz MIEUQNGVOBGPBL-UHFFFAOYSA-N 0 0 435.649 3.606 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000006461717 556090108 /nfs/dbraw/zinc/09/01/08/556090108.db2.gz WTFDSEUHXMAZAD-HXUWFJFHSA-N 0 0 437.525 3.945 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CSc2ncnc3sccc32)cc(C(=O)OCC)c1 ZINC000002679512 556118736 /nfs/dbraw/zinc/11/87/36/556118736.db2.gz KBMQROAZYWWGOF-UHFFFAOYSA-N 0 0 445.522 3.776 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1nccs1 ZINC000002719994 556126494 /nfs/dbraw/zinc/12/64/94/556126494.db2.gz XVKMFHSANYFSJE-UHFFFAOYSA-N 0 0 436.971 3.721 50 0 aggregator IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccccc1 ZINC000002719998 556126560 /nfs/dbraw/zinc/12/65/60/556126560.db2.gz JZVFAEBQIAUJTM-UHFFFAOYSA-N 0 0 443.981 3.943 50 0 IHAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4ccc5c(c4)OCO5)cccc3C2=O)c1 ZINC000002716551 556131055 /nfs/dbraw/zinc/13/10/55/556131055.db2.gz LHNOTZZPLAPXSQ-UHFFFAOYSA-N 0 0 444.487 3.940 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1nc2ccccc2s1 ZINC000002717777 556131262 /nfs/dbraw/zinc/13/12/62/556131262.db2.gz NGJVUXBPHXQKGF-UHFFFAOYSA-N 0 0 434.506 3.862 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1 ZINC000002719674 556131578 /nfs/dbraw/zinc/13/15/78/556131578.db2.gz GALUXZWXDWARMG-UHFFFAOYSA-N 0 0 425.535 3.620 50 0 IHAARN CCn1cc(Br)c(C(=O)NC(=S)Nc2ccc(C)cc2Br)n1 ZINC000002726984 556133644 /nfs/dbraw/zinc/13/36/44/556133644.db2.gz SDGQAIZCRGKMMA-UHFFFAOYSA-N 0 0 446.168 3.863 50 0 IHAARN O=c1c2c3c(sc2ncn1Cc1nc2c4c5c(sc4ncn2n1)CCC5)CCCC3 ZINC000002788826 556139118 /nfs/dbraw/zinc/13/91/18/556139118.db2.gz IWVGQSONJCBSLN-UHFFFAOYSA-N 0 0 434.550 3.526 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OC)c1C ZINC000002767048 556139738 /nfs/dbraw/zinc/13/97/38/556139738.db2.gz PPRMIAQFKDQQEG-UHFFFAOYSA-N 0 0 442.493 3.684 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000002768751 556139868 /nfs/dbraw/zinc/13/98/68/556139868.db2.gz HUMNBEKWYJZVMN-NRFANRHFSA-N 0 0 436.533 3.873 50 0 IHAARN Cc1nn(Cn2ccc(C(=O)Nc3ccccc3OC(F)F)n2)c(C)c1Br ZINC000002795585 556145580 /nfs/dbraw/zinc/14/55/80/556145580.db2.gz SXXKNCMSROEBAW-UHFFFAOYSA-N 0 0 440.248 3.818 50 0 IHAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003039780 556162695 /nfs/dbraw/zinc/16/26/95/556162695.db2.gz YIZRBPOPRKEVER-OAHLLOKOSA-N 0 0 448.759 3.814 50 0 IHAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCC(N)=O ZINC000008395856 556163044 /nfs/dbraw/zinc/16/30/44/556163044.db2.gz GGYGBHLWDVSOQM-UHFFFAOYSA-N 0 0 427.526 3.573 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008591128 556188989 /nfs/dbraw/zinc/18/89/89/556188989.db2.gz QOZYLRMIRGWGKN-QGZVFWFLSA-N 0 0 430.390 3.628 50 0 IHAARN CCOc1ccc(-n2nc(CO)c(C(=O)NCC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008613638 556191897 /nfs/dbraw/zinc/19/18/97/556191897.db2.gz JSACVOTWXXSDKE-UHFFFAOYSA-N 0 0 442.519 3.720 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)Nc1cccc(C)c1C)c(=O)n2C ZINC000008608864 556191912 /nfs/dbraw/zinc/19/19/12/556191912.db2.gz KCPCVGZFOOZHNG-UHFFFAOYSA-N 0 0 429.524 3.924 50 0 IHAARN COc1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(OC)cc1Cl ZINC000008619078 556193342 /nfs/dbraw/zinc/19/33/42/556193342.db2.gz YGKSWCVRPBLLMC-UHFFFAOYSA-N 0 0 446.843 3.896 50 0 IHAARN COc1cccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4ccccc4)CC3=O)n2)c1 ZINC000008715725 556202084 /nfs/dbraw/zinc/20/20/84/556202084.db2.gz VJPBGAZNGNXEGL-QGZVFWFLSA-N 0 0 436.489 3.598 50 0 IHAARN COc1cccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4ccccc4)CC3=O)n2)c1 ZINC000008715726 556202104 /nfs/dbraw/zinc/20/21/04/556202104.db2.gz VJPBGAZNGNXEGL-KRWDZBQOSA-N 0 0 436.489 3.598 50 0 IHAARN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC ZINC000008780659 556214683 /nfs/dbraw/zinc/21/46/83/556214683.db2.gz URLQSRYSLOCEMT-QFIPXVFZSA-N 0 0 440.496 3.734 50 0 IHAARN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1 ZINC000008828720 556224844 /nfs/dbraw/zinc/22/48/44/556224844.db2.gz ROQWEFZJWCGURW-UHFFFAOYSA-N 0 0 438.505 3.942 50 0 aggregator IHAARN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C ZINC000009144641 556249263 /nfs/dbraw/zinc/24/92/63/556249263.db2.gz QTYDFTBXUISTHA-OAHLLOKOSA-N 0 0 434.414 3.857 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009197369 556255615 /nfs/dbraw/zinc/25/56/15/556255615.db2.gz LKMNOGZVNQNSMB-UXHICEINSA-N 0 0 439.541 3.646 50 0 IHAARN O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1)C(F)(F)F ZINC000009225147 556259184 /nfs/dbraw/zinc/25/91/84/556259184.db2.gz AXEBAKNZHDNRKQ-HNNXBMFYSA-N 0 0 434.370 3.755 50 0 IHAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000009234530 556263093 /nfs/dbraw/zinc/26/30/93/556263093.db2.gz YCCRJUHTCWWISZ-GFCCVEGCSA-N 0 0 432.307 3.877 50 0 IHAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCC2)cc1 ZINC000009236508 556263885 /nfs/dbraw/zinc/26/38/85/556263885.db2.gz KRRJQOYLQRUYDF-VQTJNVASSA-N 0 0 435.553 3.725 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)cc1 ZINC000009238634 556264996 /nfs/dbraw/zinc/26/49/96/556264996.db2.gz BKCSINXPPDCJJA-ZWKOTPCHSA-N 0 0 445.932 3.655 50 0 IHAARN COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)c1 ZINC000009238622 556265041 /nfs/dbraw/zinc/26/50/41/556265041.db2.gz RYPNDJFWVHOCEQ-ROUUACIJSA-N 0 0 445.932 3.655 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 ZINC000009239183 556265608 /nfs/dbraw/zinc/26/56/08/556265608.db2.gz BAFYILCVGZJUAD-QZTJIDSGSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 ZINC000009239185 556265625 /nfs/dbraw/zinc/26/56/25/556265625.db2.gz BAFYILCVGZJUAD-MSOLQXFVSA-N 0 0 429.933 3.900 50 0 IHAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O ZINC000009260949 556268656 /nfs/dbraw/zinc/26/86/56/556268656.db2.gz XRLVWWSTGMHDKB-KEXZDQNZSA-N 0 0 434.695 3.709 50 0 IHAARN CCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc(OCC)c1OCC ZINC000009288308 556272689 /nfs/dbraw/zinc/27/26/89/556272689.db2.gz BCRMWZKTFMALNP-UHFFFAOYSA-N 0 0 447.484 3.939 50 0 IHAARN COc1ccc(-c2cc(NC(=O)/C=C/c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000013685342 556275837 /nfs/dbraw/zinc/27/58/37/556275837.db2.gz CTDZRTSYTMZKKS-LKQLOZHYSA-N 0 0 437.521 3.570 50 0 IHAARN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013687668 556277398 /nfs/dbraw/zinc/27/73/98/556277398.db2.gz MAEKDXIEJHVKDC-MRXNPFEDSA-N 0 0 430.840 3.993 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccccc1 ZINC000013689615 556278959 /nfs/dbraw/zinc/27/89/59/556278959.db2.gz RFHHRCCFIBKBSZ-UHFFFAOYSA-N 0 0 430.501 3.976 50 0 IHAARN CC(C)N1[C@@H](Cc2ccccc2OCc2ccccn2)[C@@H](O)c2ccccc2S1(=O)=O ZINC000013692206 556281696 /nfs/dbraw/zinc/28/16/96/556281696.db2.gz CJCHDBNRZMVCFL-URXFXBBRSA-N 0 0 438.549 3.718 50 0 IHAARN CC(C)N1[C@H](Cc2ccccc2OCc2ccccn2)[C@@H](O)c2ccccc2S1(=O)=O ZINC000013692207 556281832 /nfs/dbraw/zinc/28/18/32/556281832.db2.gz CJCHDBNRZMVCFL-QPPBQGQZSA-N 0 0 438.549 3.718 50 0 IHAARN CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)CC1 ZINC000009329189 556282726 /nfs/dbraw/zinc/28/27/26/556282726.db2.gz XHAGAYZLMXAFFR-UHFFFAOYSA-N 0 0 431.989 3.979 50 0 IHAARN CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(C(c2ccccc2)c2ccccc2)C1=O ZINC000009353299 556284438 /nfs/dbraw/zinc/28/44/38/556284438.db2.gz ZMSWBCVBICWZQE-UHFFFAOYSA-N 0 0 427.504 3.883 50 0 IHAARN O=C(NCc1ccccn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009410570 556288200 /nfs/dbraw/zinc/28/82/00/556288200.db2.gz MDRYMFTVWPUVFC-RDTXWAMCSA-N 0 0 445.401 3.597 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009418875 556289213 /nfs/dbraw/zinc/28/92/13/556289213.db2.gz IPYLVJVRDHZUSH-HNNXBMFYSA-N 0 0 443.916 3.754 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1Cc2ccccc2C1 ZINC000009504705 556295853 /nfs/dbraw/zinc/29/58/53/556295853.db2.gz NMIDAVJLJVTEEZ-UHFFFAOYSA-N 0 0 427.533 3.705 50 0 IHAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@H](CO)c4ccccc4)cc3)cc2c1 ZINC000013736448 556297721 /nfs/dbraw/zinc/29/77/21/556297721.db2.gz JXPCRJUTIOSCTA-HSZRJFAPSA-N 0 0 445.471 3.697 50 0 IHAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC ZINC000013750300 556298819 /nfs/dbraw/zinc/29/88/19/556298819.db2.gz DGWSZYNSISXSGR-UYRXBGFRSA-N 0 0 425.485 3.692 50 0 IHAARN O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009614280 556303668 /nfs/dbraw/zinc/30/36/68/556303668.db2.gz UQARIGKNVDZVJP-UHFFFAOYSA-N 0 0 440.521 3.585 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccccc3C(F)(F)F)CCC2)cc1 ZINC000065029657 556304587 /nfs/dbraw/zinc/30/45/87/556304587.db2.gz DNSZWIAEXAKUAD-UHFFFAOYSA-N 0 0 426.460 3.815 50 0 IHAARN CCCCNC(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000032735914 556305643 /nfs/dbraw/zinc/30/56/43/556305643.db2.gz BRPOSRPHVHQNFQ-UHFFFAOYSA-N 0 0 427.549 3.536 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000032738654 556308531 /nfs/dbraw/zinc/30/85/31/556308531.db2.gz VAPJPRWWWREPBS-MSOLQXFVSA-N 0 0 428.554 3.646 50 0 IHAARN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)N[C@H]1CCOc2ccccc21 ZINC000032745258 556315079 /nfs/dbraw/zinc/31/50/79/556315079.db2.gz KRSWSFFNUAGZAW-INIZCTEOSA-N 0 0 430.917 3.769 50 0 IHAARN O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cc(Cl)c2c(c1)OCCCO2 ZINC000032745398 556315381 /nfs/dbraw/zinc/31/53/81/556315381.db2.gz FBNSJLGQNAYMLK-UHFFFAOYSA-N 0 0 432.885 3.645 50 0 IHAARN CCCCc1ccc(N2C(=O)CS/C2=C(/C(=O)OC)S(=O)(=O)c2ccccc2)cc1 ZINC000009972232 556319413 /nfs/dbraw/zinc/31/94/13/556319413.db2.gz OYKCQYLJKLKVCA-MRCUWXFGSA-N 0 0 445.562 3.925 50 0 IHAARN Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C ZINC000013858349 556321991 /nfs/dbraw/zinc/32/19/91/556321991.db2.gz XQGRXDCOLAMDRJ-JMIUGGIZSA-N 0 0 449.488 3.890 50 0 aggregator IHAARN CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2O1 ZINC000032550052 556322793 /nfs/dbraw/zinc/32/27/93/556322793.db2.gz BGMACUVREHNKPL-LBPRGKRZSA-N 0 0 435.354 3.537 50 0 IHAARN CN(C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000032754417 556323479 /nfs/dbraw/zinc/32/34/79/556323479.db2.gz OZFWRUPRMPUXBR-JOCHJYFZSA-N 0 0 425.960 3.634 50 0 IHAARN O=C(N1CCc2ccccc21)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000013882234 556326504 /nfs/dbraw/zinc/32/65/04/556326504.db2.gz RGMHFOMZFDJPBL-XFKLWTPLSA-N 0 0 427.346 3.925 50 0 IHAARN O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000013895648 556328951 /nfs/dbraw/zinc/32/89/51/556328951.db2.gz WCTRGUYOHRBUIC-BXUZGUMPSA-N 0 0 438.187 3.544 50 0 IHAARN C[C@H](CNC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 ZINC000010273473 556329024 /nfs/dbraw/zinc/32/90/24/556329024.db2.gz XCCZITFHRSNQLJ-QGZVFWFLSA-N 0 0 449.942 3.776 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013896699 556329644 /nfs/dbraw/zinc/32/96/44/556329644.db2.gz CADDZUXAWRZZRU-UHFFFAOYSA-N 0 0 442.581 3.830 50 0 IHAARN COc1ccc([C@H]2CCCN2Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000032778009 556331188 /nfs/dbraw/zinc/33/11/88/556331188.db2.gz ADLYHNORWBBOFT-LJQANCHMSA-N 0 0 426.517 3.953 50 0 IHAARN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032768358 556333303 /nfs/dbraw/zinc/33/33/03/556333303.db2.gz LPTPMGYBAJIUNC-MRXNPFEDSA-N 0 0 434.537 3.567 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)c(Br)c1 ZINC000032770640 556334522 /nfs/dbraw/zinc/33/45/22/556334522.db2.gz LOHVIWIJKWFNMY-GFCCVEGCSA-N 0 0 442.331 3.674 50 0 IHAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000032771239 556335314 /nfs/dbraw/zinc/33/53/14/556335314.db2.gz NJQUJHWMWBZGMI-UHFFFAOYSA-N 0 0 437.565 3.813 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000032772737 556335689 /nfs/dbraw/zinc/33/56/89/556335689.db2.gz MNCHJVNZVUXTFF-GOSISDBHSA-N 0 0 430.530 3.675 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1 ZINC000013941999 556338976 /nfs/dbraw/zinc/33/89/76/556338976.db2.gz POKLODGOTNWIRC-UHFFFAOYSA-N 0 0 447.314 3.873 50 0 IHAARN COc1ccc(CCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000013942584 556340009 /nfs/dbraw/zinc/34/00/09/556340009.db2.gz BHDWNDSXESJHLF-KRWDZBQOSA-N 0 0 436.537 3.947 50 0 IHAARN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000011661507 556343106 /nfs/dbraw/zinc/34/31/06/556343106.db2.gz WQVKSPWPTUNUMT-LJQANCHMSA-N 0 0 437.499 3.681 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000011662368 556343964 /nfs/dbraw/zinc/34/39/64/556343964.db2.gz GQGSCKSWTYWROS-SFHVURJKSA-N 0 0 430.495 3.851 50 0 IHAARN Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F ZINC000011663976 556344692 /nfs/dbraw/zinc/34/46/92/556344692.db2.gz RKQDXTWHYUJELZ-KRWDZBQOSA-N 0 0 447.580 3.786 50 0 IHAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F ZINC000011663975 556344733 /nfs/dbraw/zinc/34/47/33/556344733.db2.gz RKQDXTWHYUJELZ-QGZVFWFLSA-N 0 0 447.580 3.786 50 0 IHAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)N1 ZINC000013960006 556347043 /nfs/dbraw/zinc/34/70/43/556347043.db2.gz UFFYPQZYWNWMFN-HNNXBMFYSA-N 0 0 437.205 3.699 50 0 IHAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)N1 ZINC000013960007 556347096 /nfs/dbraw/zinc/34/70/96/556347096.db2.gz UFFYPQZYWNWMFN-OAHLLOKOSA-N 0 0 437.205 3.699 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032787166 556349996 /nfs/dbraw/zinc/34/99/96/556349996.db2.gz VWCANZNBNULTDG-REWPJTCUSA-N 0 0 439.581 3.620 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000011769067 556350112 /nfs/dbraw/zinc/35/01/12/556350112.db2.gz GZWRZQYKXCYAHH-QHCPKHFHSA-N 0 0 434.536 3.892 50 0 IHAARN Cc1ccccc1C[C@@H](C1CCN(C(=O)CCC(C)C)CC1)N(C)C(=O)Cn1cccn1 ZINC000011783086 556351488 /nfs/dbraw/zinc/35/14/88/556351488.db2.gz DALHTDJZXOQYNV-DEOSSOPVSA-N 0 0 438.616 3.936 50 0 IHAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000013990309 556352814 /nfs/dbraw/zinc/35/28/14/556352814.db2.gz WMOPYWVBXJBYFS-UHFFFAOYSA-N 0 0 434.533 3.997 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2 ZINC000011789913 556355333 /nfs/dbraw/zinc/35/53/33/556355333.db2.gz QRUKCACXDZYCDT-GOSISDBHSA-N 0 0 444.491 3.686 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nc(-c5cccs5)no4)C3=O)ccc2c1 ZINC000014017659 556355942 /nfs/dbraw/zinc/35/59/42/556355942.db2.gz NXEALNRTIWFHMR-QFIPXVFZSA-N 0 0 434.477 3.927 50 0 IHAARN CN(C[C@@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011813587 556356773 /nfs/dbraw/zinc/35/67/73/556356773.db2.gz PFAAEQZZUGVWGH-MHECFPHRSA-N 0 0 446.975 3.697 50 0 IHAARN O=C(Nc1ccc(Br)cc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000014060874 556358913 /nfs/dbraw/zinc/35/89/13/556358913.db2.gz KJIADUYGLJDRER-UHFFFAOYSA-N 0 0 429.723 3.895 50 0 IHAARN O=C(CCN1CCCO1)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011816572 556359095 /nfs/dbraw/zinc/35/90/95/556359095.db2.gz GBKIKCUXBIIPOZ-FQEVSTJZSA-N 0 0 425.504 3.697 50 0 IHAARN Cc1c[nH]c(CN(C)Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)n1 ZINC000011819288 556361534 /nfs/dbraw/zinc/36/15/34/556361534.db2.gz RJOTVVVRDOBCCW-UHFFFAOYSA-N 0 0 448.958 3.850 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000014085338 556364723 /nfs/dbraw/zinc/36/47/23/556364723.db2.gz NCPLYVJIYVPDFL-FQEVSTJZSA-N 0 0 430.346 3.648 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](CO)Cc2ccco2)cc1 ZINC000032803208 556365413 /nfs/dbraw/zinc/36/54/13/556365413.db2.gz RDHWOCQGDUCMFB-SFHVURJKSA-N 0 0 431.492 3.722 50 0 IHAARN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000011868529 556368647 /nfs/dbraw/zinc/36/86/47/556368647.db2.gz OJRTWGXANNBLBR-CAPFRKAQSA-N 0 0 437.584 3.594 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000014115378 556370572 /nfs/dbraw/zinc/37/05/72/556370572.db2.gz XBIHBEPWSKNFIK-XMMPIXPASA-N 0 0 430.552 3.861 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)o1 ZINC000011878957 556371390 /nfs/dbraw/zinc/37/13/90/556371390.db2.gz LJXKTQSJOFHHAD-INIZCTEOSA-N 0 0 430.501 3.714 50 0 IHAARN Cc1nc(Cc2nnc(SCC(=O)N(C)Cc3nc4ccccc4s3)o2)cs1 ZINC000014124570 556373183 /nfs/dbraw/zinc/37/31/83/556373183.db2.gz UYXTWLIVKADGCJ-UHFFFAOYSA-N 0 0 431.568 3.786 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000014136613 556375439 /nfs/dbraw/zinc/37/54/39/556375439.db2.gz MCVJJOCEUVNVSH-UHFFFAOYSA-N 0 0 445.567 3.699 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000011917554 556376555 /nfs/dbraw/zinc/37/65/55/556376555.db2.gz ONHXUEBERKUXRX-INIZCTEOSA-N 0 0 434.901 3.726 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)o2)c1 ZINC000014141913 556376794 /nfs/dbraw/zinc/37/67/94/556376794.db2.gz ZQLGYAPGOARWHD-UHFFFAOYSA-N 0 0 444.538 3.503 50 0 IHAARN COc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc(OC)c1OC ZINC000011934496 556377485 /nfs/dbraw/zinc/37/74/85/556377485.db2.gz VLDXHWXPIYVRSQ-QGZVFWFLSA-N 0 0 425.460 3.845 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(C)cc4)C[C@H]3C)o2)s1 ZINC000011938569 556379923 /nfs/dbraw/zinc/37/99/23/556379923.db2.gz IGHOYYOHWNEEBR-MRXNPFEDSA-N 0 0 438.553 3.979 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)c(OC)c1 ZINC000011953717 556380714 /nfs/dbraw/zinc/38/07/14/556380714.db2.gz RXQWBGXFBPINKC-KRWDZBQOSA-N 0 0 444.601 3.524 50 0 IHAARN COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)/C=C/c2cccc(F)c2F)C3)nn1 ZINC000011970551 556382584 /nfs/dbraw/zinc/38/25/84/556382584.db2.gz PQUVRSJJHWSGNM-JKNJVXJCSA-N 0 0 437.446 3.872 50 0 IHAARN CC(C)[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000014182317 556382755 /nfs/dbraw/zinc/38/27/55/556382755.db2.gz GEPLUICUOSIISY-NRFANRHFSA-N 0 0 437.945 3.789 50 0 IHAARN CC(C)NC(=O)CN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000014187162 556386307 /nfs/dbraw/zinc/38/63/07/556386307.db2.gz RCLNOFWEKYWWGJ-UHFFFAOYSA-N 0 0 446.016 3.915 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)o1 ZINC000014187152 556386415 /nfs/dbraw/zinc/38/64/15/556386415.db2.gz VOPHVSNQMMBTAH-UHFFFAOYSA-N 0 0 445.368 3.954 50 0 IHAARN Cc1c(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(=O)n(-c2ccccc2)n1C ZINC000014189926 556387725 /nfs/dbraw/zinc/38/77/25/556387725.db2.gz CVEJRLAYPWLGJZ-UHFFFAOYSA-N 0 0 430.464 3.890 50 0 IHAARN CCOc1cc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)ccc1O ZINC000012034724 556389197 /nfs/dbraw/zinc/38/91/97/556389197.db2.gz XKYLZSPLQOBNDN-PMACEKPBSA-N 0 0 430.545 3.944 50 0 IHAARN Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)NCC4CCOCC4)cc3)c2)c(C)c1 ZINC000012037724 556390192 /nfs/dbraw/zinc/39/01/92/556390192.db2.gz XYAWDSPBXZPGDO-UHFFFAOYSA-N 0 0 432.524 3.898 50 0 IHAARN COCC[C@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000012038183 556390477 /nfs/dbraw/zinc/39/04/77/556390477.db2.gz DLIYQBPVBWKQFK-OAQYLSRUSA-N 0 0 433.512 3.551 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 ZINC000014217925 556393165 /nfs/dbraw/zinc/39/31/65/556393165.db2.gz WEEICGYMRUJKCZ-UHFFFAOYSA-N 0 0 443.594 3.634 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000012054236 556393535 /nfs/dbraw/zinc/39/35/35/556393535.db2.gz KDHAHEPEUAVDOH-HXUWFJFHSA-N 0 0 429.538 3.960 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CNC(=O)c3cc(C)cc(C)c3)n2)cc1OC ZINC000014226851 556395146 /nfs/dbraw/zinc/39/51/46/556395146.db2.gz DHNMAEZJWFQVCH-UHFFFAOYSA-N 0 0 425.510 3.813 50 0 IHAARN O=C(Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)N1CCCCC1 ZINC000012062196 556395549 /nfs/dbraw/zinc/39/55/49/556395549.db2.gz CPXFYMLDYCPJTD-LJQANCHMSA-N 0 0 434.515 3.704 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000014228563 556396021 /nfs/dbraw/zinc/39/60/21/556396021.db2.gz UFZXJKXEXQEPJZ-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCC[C@H](OCc4ccccn4)C3)o2)s1 ZINC000012076083 556397513 /nfs/dbraw/zinc/39/75/13/556397513.db2.gz YEOMNAQRBVQQJL-KRWDZBQOSA-N 0 0 440.525 3.536 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000032813125 556398302 /nfs/dbraw/zinc/39/83/02/556398302.db2.gz KXVQLQDKTLSBDG-HXUWFJFHSA-N 0 0 439.537 3.646 50 0 IHAARN O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014241786 556402311 /nfs/dbraw/zinc/40/23/11/556402311.db2.gz MHTJOOIMMMBFLM-NRFANRHFSA-N 0 0 449.498 3.781 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000064605059 556402956 /nfs/dbraw/zinc/40/29/56/556402956.db2.gz YOMXRUDOKLSWDX-CQSZACIVSA-N 0 0 436.899 3.672 50 0 IHAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C(=O)OCC)C2 ZINC000012340778 556403597 /nfs/dbraw/zinc/40/35/97/556403597.db2.gz WXUGAJBZTOQPOT-UHFFFAOYSA-N 0 0 447.582 3.926 50 0 IHAARN COC(=O)C1=C(C)N(C(C)C)C(=O)[C@@]1(NC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000012402647 556404284 /nfs/dbraw/zinc/40/42/84/556404284.db2.gz RITDZVFZQNSMOL-OAQYLSRUSA-N 0 0 440.462 3.713 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 ZINC000014245833 556405699 /nfs/dbraw/zinc/40/56/99/556405699.db2.gz HIFKREFZQLNWFM-UHFFFAOYSA-N 0 0 428.598 3.980 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000014247657 556407418 /nfs/dbraw/zinc/40/74/18/556407418.db2.gz YJIPNPZSFBRJHI-UHFFFAOYSA-N 0 0 425.432 3.651 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NCc1ccccc1F ZINC000014247937 556407479 /nfs/dbraw/zinc/40/74/79/556407479.db2.gz CJXXHSURAHUDAJ-HNNXBMFYSA-N 0 0 432.546 3.733 50 0 IHAARN O=C(C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 ZINC000032594560 556407788 /nfs/dbraw/zinc/40/77/88/556407788.db2.gz TWGACGTXPPZFJR-KKSFZXQISA-N 0 0 442.493 3.747 50 0 IHAARN CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 ZINC000032596840 556408042 /nfs/dbraw/zinc/40/80/42/556408042.db2.gz AJTWISAFZRBTPB-UHFFFAOYSA-N 0 0 428.485 3.842 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000014250215 556408556 /nfs/dbraw/zinc/40/85/56/556408556.db2.gz AUXXHHVUINNMMH-UHFFFAOYSA-N 0 0 442.585 3.804 50 0 IHAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OCC)c1 ZINC000014253467 556410174 /nfs/dbraw/zinc/41/01/74/556410174.db2.gz MDJGETFDNACEPL-UHFFFAOYSA-N 0 0 427.478 3.994 50 0 IHAARN CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)c(F)c1 ZINC000032624117 556411218 /nfs/dbraw/zinc/41/12/18/556411218.db2.gz JMWUEWVPTCBKBP-UHFFFAOYSA-N 0 0 448.859 3.665 50 0 IHAARN CCN(CCOc1ccc2ccccc2c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000032827779 556411419 /nfs/dbraw/zinc/41/14/19/556411419.db2.gz GOSVDVVYLCTRTL-UHFFFAOYSA-N 0 0 433.508 3.994 50 0 IHAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O ZINC000032820588 556412406 /nfs/dbraw/zinc/41/24/06/556412406.db2.gz JGWDIKSFKXHBHK-QHCPKHFHSA-N 0 0 438.553 3.538 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1OC ZINC000065169136 556413878 /nfs/dbraw/zinc/41/38/78/556413878.db2.gz JXYDIQCLHRFOLL-UHFFFAOYSA-N 0 0 445.928 3.561 50 0 IHAARN COC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c(OC)c1 ZINC000032672108 556414779 /nfs/dbraw/zinc/41/47/79/556414779.db2.gz ANVPUMPKPLXUMD-MRXNPFEDSA-N 0 0 440.477 3.893 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H](C)O)cc1 ZINC000032672258 556415068 /nfs/dbraw/zinc/41/50/68/556415068.db2.gz DOWHNIQZXMNCJQ-ZIAGYGMSSA-N 0 0 431.945 3.858 50 0 IHAARN CCOC(=O)Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2)n1Cc1ccccc1 ZINC000032829318 556416229 /nfs/dbraw/zinc/41/62/29/556416229.db2.gz IWOCUKCYITUNGR-HNNXBMFYSA-N 0 0 427.501 3.935 50 0 IHAARN CCc1cc2c(CN(CCOC)Cc3nnc(-c4cccs4)o3)cc(=O)oc2cc1O ZINC000032665046 556417124 /nfs/dbraw/zinc/41/71/24/556417124.db2.gz SJYXSRIGQVZBKF-UHFFFAOYSA-N 0 0 441.509 3.821 50 0 IHAARN CCOc1cc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc(Br)c1OC ZINC000032666685 556417878 /nfs/dbraw/zinc/41/78/78/556417878.db2.gz ABLPWPISGXBKNL-UHFFFAOYSA-N 0 0 447.285 3.530 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000032836966 556418495 /nfs/dbraw/zinc/41/84/95/556418495.db2.gz XMMUXGPLFWIQOD-LJQANCHMSA-N 0 0 436.599 3.606 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1 ZINC000012972844 556419376 /nfs/dbraw/zinc/41/93/76/556419376.db2.gz BPKHMTWAGUUQKJ-UHFFFAOYSA-N 0 0 431.539 3.699 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012974095 556419855 /nfs/dbraw/zinc/41/98/55/556419855.db2.gz XWUGMDNIVPNTBL-UHFFFAOYSA-N 0 0 435.908 3.641 50 0 IHAARN NC(=O)c1ccsc1NC(=O)CCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012973628 556419897 /nfs/dbraw/zinc/41/98/97/556419897.db2.gz JLDBHWWVPUGBKJ-UHFFFAOYSA-N 0 0 441.484 3.814 50 0 IHAARN Cc1noc(C)c1CO[C@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N(CC(C)C)C1 ZINC000014531040 556420423 /nfs/dbraw/zinc/42/04/23/556420423.db2.gz OYBQBGQRSZLMHV-LJQANCHMSA-N 0 0 439.512 3.563 50 0 IHAARN CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000059775125 556423701 /nfs/dbraw/zinc/42/37/01/556423701.db2.gz HMVDCADPOHDJAJ-UHFFFAOYSA-N 0 0 438.871 3.575 50 0 IHAARN O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000012980604 556424228 /nfs/dbraw/zinc/42/42/28/556424228.db2.gz RNDLRXOGNXWIQE-ZDUSSCGKSA-N 0 0 436.883 3.548 50 0 IHAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(F)(F)F)cnc2n1C[C@H]1CCCO1 ZINC000014541797 556425826 /nfs/dbraw/zinc/42/58/26/556425826.db2.gz CBVFMSBYBXXYJG-SMDDNHRTSA-N 0 0 442.438 3.713 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccccc4)CC3)c(=O)oc2c1 ZINC000032843044 556428197 /nfs/dbraw/zinc/42/81/97/556428197.db2.gz CYNNXRSNUOVLBE-UHFFFAOYSA-N 0 0 432.520 3.763 50 0 IHAARN O=C(CNC(=O)NCc1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032843383 556428426 /nfs/dbraw/zinc/42/84/26/556428426.db2.gz XEMQBXICFLWEBT-DJOCHQMASA-N 0 0 425.532 3.899 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000012994147 556430021 /nfs/dbraw/zinc/43/00/21/556430021.db2.gz PMMANYQYMMWBSA-LLVKDONJSA-N 0 0 443.352 3.934 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1 ZINC000012997705 556431770 /nfs/dbraw/zinc/43/17/70/556431770.db2.gz BUYWSQZGNGZKRK-FQEVSTJZSA-N 0 0 428.598 3.842 50 0 IHAARN CC(C)N(C(=O)COC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)C(C)C ZINC000012997772 556431806 /nfs/dbraw/zinc/43/18/06/556431806.db2.gz BEKVZZKPVHVKGY-SFHVURJKSA-N 0 0 432.464 3.625 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013000587 556432855 /nfs/dbraw/zinc/43/28/55/556432855.db2.gz POWAZWPZGMNYSZ-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cs1 ZINC000013000729 556433134 /nfs/dbraw/zinc/43/31/34/556433134.db2.gz LGBKZASZENRJGH-UHFFFAOYSA-N 0 0 431.539 3.533 50 0 IHAARN O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccccc1Oc1ccccc1 ZINC000013004631 556434452 /nfs/dbraw/zinc/43/44/52/556434452.db2.gz JBWIKIQWAHEFRK-UHFFFAOYSA-N 0 0 449.488 3.512 50 0 IHAARN Cc1nc2c(s1)c(-c1ccco1)nn(CC(=O)Nc1cccc(Br)c1)c2=O ZINC000013010604 556435684 /nfs/dbraw/zinc/43/56/84/556435684.db2.gz VGGKHRFDSSZLCG-UHFFFAOYSA-N 0 0 445.298 3.823 50 0 IHAARN CCOc1ccc(C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000014729595 556436350 /nfs/dbraw/zinc/43/63/50/556436350.db2.gz PMKOTAZKXNKCQP-UHFFFAOYSA-N 0 0 428.444 3.824 50 0 IHAARN Cc1cc(C(=O)CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)s1 ZINC000014731507 556436652 /nfs/dbraw/zinc/43/66/52/556436652.db2.gz NVCDTYBKUQGTDD-UHFFFAOYSA-N 0 0 427.570 3.547 50 0 IHAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)cc1 ZINC000022935533 556437861 /nfs/dbraw/zinc/43/78/61/556437861.db2.gz KXXBLACWZDNWFP-HXUWFJFHSA-N 0 0 433.556 3.979 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)[C@@H]1CC=CCC1 ZINC000013029923 556441887 /nfs/dbraw/zinc/44/18/87/556441887.db2.gz NKTDGLNFGJEYTE-CQSZACIVSA-N 0 0 432.464 3.707 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013039437 556445351 /nfs/dbraw/zinc/44/53/51/556445351.db2.gz IELQPBMCAMVCLE-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000013039954 556445721 /nfs/dbraw/zinc/44/57/21/556445721.db2.gz HPZFNOKLOLNXCR-QUCCMNQESA-N 0 0 443.613 3.842 50 0 IHAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000028251376 556446921 /nfs/dbraw/zinc/44/69/21/556446921.db2.gz XPPGKBVZYZHQIQ-OAHLLOKOSA-N 0 0 432.270 3.970 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OC[C@@H]3CC3(Cl)Cl)c2)cc1 ZINC000014852037 556450164 /nfs/dbraw/zinc/45/01/64/556450164.db2.gz NKULYVHHCHWLOD-ZDUSSCGKSA-N 0 0 430.309 3.847 50 0 IHAARN COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 ZINC000013059739 556450380 /nfs/dbraw/zinc/45/03/80/556450380.db2.gz NBXQZIQUHQYXJS-HZPDHXFCSA-N 0 0 445.537 3.784 50 0 IHAARN Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](NC(=O)c1ccccc1)C(=O)N2 ZINC000013062971 556451247 /nfs/dbraw/zinc/45/12/47/556451247.db2.gz AGJZKRLDWYKUEK-MSOLQXFVSA-N 0 0 428.414 3.630 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@@H]2c2cccs2)cc1 ZINC000013062983 556451416 /nfs/dbraw/zinc/45/14/16/556451416.db2.gz YIYIFXGTUDAHMS-SIKLNZKXSA-N 0 0 444.520 3.765 50 0 IHAARN NC(=O)[C@H]1CC(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)=NN1c1ccccc1 ZINC000072273721 556452987 /nfs/dbraw/zinc/45/29/87/556452987.db2.gz URFCCOFOEOORHZ-HSZRJFAPSA-N 0 0 435.487 3.961 50 0 IHAARN COc1ccc(OC[C@H](O)CN(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000028403790 556453802 /nfs/dbraw/zinc/45/38/02/556453802.db2.gz CHOZKLUTVJBLLF-HXUWFJFHSA-N 0 0 437.492 3.799 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)[nH]1 ZINC000014882214 556454106 /nfs/dbraw/zinc/45/41/06/556454106.db2.gz OPGAXCJCUSWFPQ-MDZDMXLPSA-N 0 0 428.536 3.863 50 0 IHAARN CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1OC ZINC000013074194 556454659 /nfs/dbraw/zinc/45/46/59/556454659.db2.gz IJCABSHIDPGDTF-PMACEKPBSA-N 0 0 444.572 3.788 50 0 IHAARN CCn1c2cc(C)c(C)cc2nc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1=O ZINC000032958417 556456061 /nfs/dbraw/zinc/45/60/61/556456061.db2.gz IVQONXXUKWAVQY-UHFFFAOYSA-N 0 0 440.931 3.776 50 0 IHAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1Br ZINC000028499764 556456079 /nfs/dbraw/zinc/45/60/79/556456079.db2.gz SAZPATACHOAXHH-INIZCTEOSA-N 0 0 429.318 3.797 50 0 IHAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1Br ZINC000028499762 556456103 /nfs/dbraw/zinc/45/61/03/556456103.db2.gz SAZPATACHOAXHH-MRXNPFEDSA-N 0 0 429.318 3.797 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCCC1 ZINC000072275355 556456112 /nfs/dbraw/zinc/45/61/12/556456112.db2.gz PYWVOSAMETYSPE-IBGZPJMESA-N 0 0 447.580 3.513 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000013097549 556458248 /nfs/dbraw/zinc/45/82/48/556458248.db2.gz BFZGQKWDVSFDEN-GASCZTMLSA-N 0 0 444.507 3.940 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000013100743 556460039 /nfs/dbraw/zinc/46/00/39/556460039.db2.gz XJBLUQKRGRUSPL-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)NC(=O)NC2CCCC2)n1Cc1ccccc1 ZINC000013100671 556460114 /nfs/dbraw/zinc/46/01/14/556460114.db2.gz HXOFHTVTYOLCTI-UHFFFAOYSA-N 0 0 439.541 3.755 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2Cl)C[C@H](C)O1 ZINC000013100990 556460442 /nfs/dbraw/zinc/46/04/42/556460442.db2.gz ZMKVWPWSVYLSEZ-GASCZTMLSA-N 0 0 448.972 3.879 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)C3CC3)s2)c1C ZINC000011031558 556461379 /nfs/dbraw/zinc/46/13/79/556461379.db2.gz QNBNJRNWQCSOKF-GFCCVEGCSA-N 0 0 432.498 3.646 50 0 IHAARN CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1ccoc1C ZINC000013109983 556463919 /nfs/dbraw/zinc/46/39/19/556463919.db2.gz HLHYQOBNXBNXNC-CYBMUJFWSA-N 0 0 425.514 3.722 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 ZINC000013112803 556465906 /nfs/dbraw/zinc/46/59/06/556465906.db2.gz FTEBSOCELZILDS-UHFFFAOYSA-N 0 0 429.484 3.665 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C(F)(F)F)c1 ZINC000029030606 556466015 /nfs/dbraw/zinc/46/60/15/556466015.db2.gz DOKAMRGHJOOHQH-UHFFFAOYSA-N 0 0 434.823 3.973 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(OC2CCCC2)c1 ZINC000029070444 556466268 /nfs/dbraw/zinc/46/62/68/556466268.db2.gz YWRWWTBCPRADQW-UHFFFAOYSA-N 0 0 431.510 3.582 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000013113400 556466458 /nfs/dbraw/zinc/46/64/58/556466458.db2.gz JPFCXYKTIZDQKH-XCLFUZPHSA-N 0 0 441.450 3.933 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000029078728 556466998 /nfs/dbraw/zinc/46/69/98/556466998.db2.gz GFOJGABXQVMWFX-OAQYLSRUSA-N 0 0 439.523 3.838 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000013114999 556467566 /nfs/dbraw/zinc/46/75/66/556467566.db2.gz VCIHTYNNNQFPBW-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN CCc1ccc([C@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cccc(F)c2)cc1 ZINC000013114868 556467569 /nfs/dbraw/zinc/46/75/69/556467569.db2.gz SRXLLFMIDNBXBK-VWLOTQADSA-N 0 0 449.526 3.645 50 0 IHAARN COCc1c(C(=O)NCCc2ccccc2F)cnn1-c1nccc(-c2cccs2)n1 ZINC000014973975 556467788 /nfs/dbraw/zinc/46/77/88/556467788.db2.gz BEUMBRLBKZWNJU-UHFFFAOYSA-N 0 0 437.500 3.649 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1c3ccc(F)cc3C(=O)C1=O)CC2 ZINC000013115243 556467858 /nfs/dbraw/zinc/46/78/58/556467858.db2.gz NCRLFKLYTPIYDX-XMMPIXPASA-N 0 0 446.478 3.977 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)Sc2ncnc3sccc32)c(=O)n(-c2ccccc2)n1C ZINC000013115456 556467886 /nfs/dbraw/zinc/46/78/86/556467886.db2.gz RTALUNNDIRHPPQ-CYBMUJFWSA-N 0 0 425.539 3.608 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000029190489 556469661 /nfs/dbraw/zinc/46/96/61/556469661.db2.gz YSDNRLQVSWWPFQ-KRWDZBQOSA-N 0 0 431.540 3.685 50 0 IHAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013117492 556470117 /nfs/dbraw/zinc/47/01/17/556470117.db2.gz OQHWJCOROMABQD-LBPRGKRZSA-N 0 0 447.900 3.828 50 0 IHAARN CCOC(=O)C[C@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000014980868 556470639 /nfs/dbraw/zinc/47/06/39/556470639.db2.gz TVVNYXCCCZGYHJ-QFIPXVFZSA-N 0 0 435.524 3.702 50 0 IHAARN Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029256895 556470877 /nfs/dbraw/zinc/47/08/77/556470877.db2.gz VMVHBXSQKOXREH-UHFFFAOYSA-N 0 0 433.940 3.603 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000013119796 556472073 /nfs/dbraw/zinc/47/20/73/556472073.db2.gz ILTSTCSLAKJGPL-QFIPXVFZSA-N 0 0 429.549 3.848 50 0 IHAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000029375040 556473688 /nfs/dbraw/zinc/47/36/88/556473688.db2.gz PHPLZSQMQGKYPL-UHFFFAOYSA-N 0 0 445.972 3.582 50 0 IHAARN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCn2c3ccccc3nc21 ZINC000029377104 556473732 /nfs/dbraw/zinc/47/37/32/556473732.db2.gz DIYUUZHFJSJUTD-UHFFFAOYSA-N 0 0 436.468 3.637 50 0 IHAARN Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)o2)cc1 ZINC000013128080 556477137 /nfs/dbraw/zinc/47/71/37/556477137.db2.gz PQXYYIXUCDZRFV-UHFFFAOYSA-N 0 0 447.564 3.932 50 0 IHAARN Cc1nn(C)c(C)c1CCC(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000014998999 556479019 /nfs/dbraw/zinc/47/90/19/556479019.db2.gz NMQULLDZOGPWRM-HSZRJFAPSA-N 0 0 438.597 3.783 50 0 IHAARN Cc1cc(N2CCN(CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)nc(C(C)C)n1 ZINC000029632044 556479464 /nfs/dbraw/zinc/47/94/64/556479464.db2.gz IOCRQDQFEFGDTO-UHFFFAOYSA-N 0 0 447.583 3.852 50 0 IHAARN CCCCOCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)c1ccc(Br)cc1 ZINC000072288265 556480903 /nfs/dbraw/zinc/48/09/03/556480903.db2.gz COBXUKHXBXZYAI-HNNXBMFYSA-N 0 0 434.396 3.811 50 0 IHAARN CSc1nnc(CN(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000015007297 556481909 /nfs/dbraw/zinc/48/19/09/556481909.db2.gz YSSVIPGTXVZKRI-QGZVFWFLSA-N 0 0 432.981 3.855 50 0 IHAARN CC(C)[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)c1cccs1 ZINC000029788878 556482870 /nfs/dbraw/zinc/48/28/70/556482870.db2.gz OSBKWEMRUUZUNG-JTHBVZDNSA-N 0 0 425.554 3.951 50 0 IHAARN COc1cc(OC)c(C2=CCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000029802042 556483166 /nfs/dbraw/zinc/48/31/66/556483166.db2.gz ZWRZSXBWXIFTKA-MRXNPFEDSA-N 0 0 428.504 3.646 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C ZINC000013137004 556484049 /nfs/dbraw/zinc/48/40/49/556484049.db2.gz QOMSPJQOCKHRIF-UHFFFAOYSA-N 0 0 425.510 3.912 50 0 IHAARN C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072290214 556485583 /nfs/dbraw/zinc/48/55/83/556485583.db2.gz QKQKFAGIRXZXMD-MZMPZRCHSA-N 0 0 434.462 3.921 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1Cl ZINC000013141020 556485949 /nfs/dbraw/zinc/48/59/49/556485949.db2.gz HQQNXCVUPWFJDA-HCVBEMKVSA-N 0 0 436.911 3.682 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccccc1F ZINC000013141071 556486374 /nfs/dbraw/zinc/48/63/74/556486374.db2.gz ZUYYPXDRCPLHEN-UHFFFAOYSA-N 0 0 434.533 3.969 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000029928924 556486462 /nfs/dbraw/zinc/48/64/62/556486462.db2.gz GAGXUDSGNWKDEQ-UHFFFAOYSA-N 0 0 441.597 3.934 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)co2)c(C)c1 ZINC000029960671 556487654 /nfs/dbraw/zinc/48/76/54/556487654.db2.gz LBKCLXBXZSJYQA-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000032876404 556488491 /nfs/dbraw/zinc/48/84/91/556488491.db2.gz TWBZVZIZYMYQTK-HNNXBMFYSA-N 0 0 443.573 3.548 50 0 IHAARN CCN(C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1nc2ccccc2s1 ZINC000015032994 556489463 /nfs/dbraw/zinc/48/94/63/556489463.db2.gz RCXZXHBIFQCABW-UHFFFAOYSA-N 0 0 438.601 3.693 50 0 IHAARN Cc1cc(N2CCN(CC(=O)Nc3ccc(Br)cc3C)CC2)nc(C(C)C)n1 ZINC000015032853 556489528 /nfs/dbraw/zinc/48/95/28/556489528.db2.gz USTILDAYMDHSCY-UHFFFAOYSA-N 0 0 446.393 3.740 50 0 IHAARN O=C(CCc1c[nH]c2ccccc12)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030063028 556490229 /nfs/dbraw/zinc/49/02/29/556490229.db2.gz URCHORBNDNAVRK-UHFFFAOYSA-N 0 0 437.565 3.864 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccccc1I ZINC000030175769 556491321 /nfs/dbraw/zinc/49/13/21/556491321.db2.gz CAWDLPQCMAWCJW-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1I ZINC000030175768 556491373 /nfs/dbraw/zinc/49/13/73/556491373.db2.gz CAWDLPQCMAWCJW-INIZCTEOSA-N 0 0 436.249 3.661 50 0 IHAARN Cc1cc(NC(=O)Cc2csc(Cc3nnc4n3CCCCC4)n2)n(-c2ccccc2)n1 ZINC000013149674 556491642 /nfs/dbraw/zinc/49/16/42/556491642.db2.gz VILPJZLPQPMNPM-UHFFFAOYSA-N 0 0 447.568 3.727 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 ZINC000015066458 556493104 /nfs/dbraw/zinc/49/31/04/556493104.db2.gz PHHNHTVYNNNZAQ-XMMPIXPASA-N 0 0 443.565 3.774 50 0 IHAARN CCN1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000015067080 556493347 /nfs/dbraw/zinc/49/33/47/556493347.db2.gz QZKLRWDDEJJPIB-HDICACEKSA-N 0 0 442.991 3.793 50 0 IHAARN COCc1c(C(=O)N[C@H]2CCOC(C)(C)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000015070458 556495408 /nfs/dbraw/zinc/49/54/08/556495408.db2.gz AYQZMVRBGQWHAN-HNNXBMFYSA-N 0 0 441.557 3.533 50 0 IHAARN CCOc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC1 ZINC000013164543 556496840 /nfs/dbraw/zinc/49/68/40/556496840.db2.gz FFUIZHNHLDQEON-UHFFFAOYSA-N 0 0 428.554 3.540 50 0 IHAARN COCCn1c(CN(C)Cc2ccc(F)cc2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000015073836 556497655 /nfs/dbraw/zinc/49/76/55/556497655.db2.gz BTGRTOIXWNKAOI-UHFFFAOYSA-N 0 0 437.581 3.797 50 0 IHAARN NC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccc(F)cc1 ZINC000030564711 556498109 /nfs/dbraw/zinc/49/81/09/556498109.db2.gz BGDSKZHSRXPVHJ-ZDUSSCGKSA-N 0 0 449.920 3.723 50 0 IHAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc(OC)c1 ZINC000015074588 556498391 /nfs/dbraw/zinc/49/83/91/556498391.db2.gz NQAIBWMBECNDAC-GOSISDBHSA-N 0 0 426.513 3.740 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C(C)=O)c3ccccc3)nc21 ZINC000015081555 556501397 /nfs/dbraw/zinc/50/13/97/556501397.db2.gz GNZWAEGJXNFDFS-HXUWFJFHSA-N 0 0 433.537 3.928 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000013305551 556502408 /nfs/dbraw/zinc/50/24/08/556502408.db2.gz NGCTXQXKJABNHI-UHFFFAOYSA-N 0 0 449.743 3.920 50 0 IHAARN COc1ccc(-c2csc3nc(C)nc(N4CCN(C(=O)C(C)C)CC4)c23)cc1OC ZINC000030705064 556502402 /nfs/dbraw/zinc/50/24/02/556502402.db2.gz LBCBWJQNVVZVSH-UHFFFAOYSA-N 0 0 440.569 3.989 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)ccc4OC)c(=O)[nH]c3C2)cc1 ZINC000013363465 556503084 /nfs/dbraw/zinc/50/30/84/556503084.db2.gz DZXYMXDTJBHBFH-OAHLLOKOSA-N 0 0 448.475 3.566 50 0 IHAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(I)cc1 ZINC000030810222 556506584 /nfs/dbraw/zinc/50/65/84/556506584.db2.gz VEAHTSMQWXJBJM-UHFFFAOYSA-N 0 0 425.251 3.974 50 0 IHAARN COc1cc(-c2nc(C)c(C(=O)N[C@@H](CO)c3ccccc3)s2)cc(OC)c1OC ZINC000030819554 556506863 /nfs/dbraw/zinc/50/68/63/556506863.db2.gz BEHSSYRENCDAKD-INIZCTEOSA-N 0 0 428.510 3.608 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000013513766 556511198 /nfs/dbraw/zinc/51/11/98/556511198.db2.gz CZNQIGOLVGLLRL-OAHLLOKOSA-N 0 0 427.975 3.613 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000032895054 556514633 /nfs/dbraw/zinc/51/46/33/556514633.db2.gz QZRKJQNUKRQHHC-LLVKDONJSA-N 0 0 435.962 3.655 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000013552988 556515414 /nfs/dbraw/zinc/51/54/14/556515414.db2.gz FBYKKEJUYQCEDB-ZLNRFVROSA-N 0 0 448.450 3.894 50 0 IHAARN O=C(NCCCOC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032895957 556515915 /nfs/dbraw/zinc/51/59/15/556515915.db2.gz NGRUIEYCOUDHKN-QGZVFWFLSA-N 0 0 443.009 3.596 50 0 IHAARN CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032718828 556517822 /nfs/dbraw/zinc/51/78/22/556517822.db2.gz QWJCAJICVCMPAN-MRXNPFEDSA-N 0 0 432.592 3.848 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000015310345 556518592 /nfs/dbraw/zinc/51/85/92/556518592.db2.gz QAUPQMKUAHWFOX-UHFFFAOYSA-N 0 0 429.325 3.575 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011073963 556518943 /nfs/dbraw/zinc/51/89/43/556518943.db2.gz JMRHDYOLKMFNAY-HOTGVXAUSA-N 0 0 442.947 3.671 50 0 IHAARN O=C(CNC(=O)c1ccccc1Br)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073485 556519025 /nfs/dbraw/zinc/51/90/25/556519025.db2.gz OOTOOCDRPAWFHV-UHFFFAOYSA-N 0 0 438.325 3.976 50 0 IHAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C ZINC000015318397 556519600 /nfs/dbraw/zinc/51/96/00/556519600.db2.gz QRUIYHWXKWYDSQ-LBPRGKRZSA-N 0 0 431.539 3.633 50 0 IHAARN CC(C)Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ncccc2c1=O ZINC000032893278 556521058 /nfs/dbraw/zinc/52/10/58/556521058.db2.gz UAYOPQBZMONMMU-UHFFFAOYSA-N 0 0 426.586 3.625 50 0 IHAARN C[S@](=O)C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000072298105 556521628 /nfs/dbraw/zinc/52/16/28/556521628.db2.gz UAFNMVMWUGAGGB-KPURRNSFSA-N 0 0 441.574 3.510 50 0 IHAARN Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)c(Cl)nc2c1 ZINC000013575259 556525312 /nfs/dbraw/zinc/52/53/12/556525312.db2.gz YABWQPWUSORBQX-QNGOZBTKSA-N 0 0 435.911 3.826 50 0 IHAARN CSCC[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000032721141 556528685 /nfs/dbraw/zinc/52/86/85/556528685.db2.gz HZUJFPPGJHQGRP-KRWDZBQOSA-N 0 0 437.974 3.601 50 0 IHAARN C[C@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F ZINC000015496366 556530991 /nfs/dbraw/zinc/53/09/91/556530991.db2.gz ARKAKGHDFMENLY-JTQLQIEISA-N 0 0 434.447 3.875 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000032900048 556531901 /nfs/dbraw/zinc/53/19/01/556531901.db2.gz BVXNYOQCDDOGKM-UHFFFAOYSA-N 0 0 441.509 3.512 50 0 IHAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1OC ZINC000032901169 556532297 /nfs/dbraw/zinc/53/22/97/556532297.db2.gz BFHABJNRIFCFIH-UHFFFAOYSA-N 0 0 446.931 3.540 50 0 IHAARN CC(C)c1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1 ZINC000032901184 556532947 /nfs/dbraw/zinc/53/29/47/556532947.db2.gz BPNZKWXAKVDPBA-UHFFFAOYSA-N 0 0 449.555 3.538 50 0 IHAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCCN1CCOCC1)CO3 ZINC000013606891 556532981 /nfs/dbraw/zinc/53/29/81/556532981.db2.gz VSICZLLISLMUPB-UHFFFAOYSA-N 0 0 440.927 3.988 50 0 IHAARN O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1Cl ZINC000015523909 556533208 /nfs/dbraw/zinc/53/32/08/556533208.db2.gz KTCVKFFTSTZZOZ-UHFFFAOYSA-N 0 0 426.870 3.582 50 0 IHAARN COc1ccc(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c(OC)c1 ZINC000013625491 556537032 /nfs/dbraw/zinc/53/70/32/556537032.db2.gz IITCNOCTWKRFLU-LJQANCHMSA-N 0 0 443.525 3.593 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)c1 ZINC000032902133 556538860 /nfs/dbraw/zinc/53/88/60/556538860.db2.gz MBXLIKBYNYTRQX-UHFFFAOYSA-N 0 0 427.482 3.996 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032902101 556538959 /nfs/dbraw/zinc/53/89/59/556538959.db2.gz ROVLQJCFRWLPJA-ZHHULCEESA-N 0 0 428.558 3.680 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000015636605 556539649 /nfs/dbraw/zinc/53/96/49/556539649.db2.gz QFIYTJRIBUTKFK-OKILXGFUSA-N 0 0 449.598 3.559 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)no1 ZINC000015641512 556540018 /nfs/dbraw/zinc/54/00/18/556540018.db2.gz PTLAHKCKCRFGLN-CYBMUJFWSA-N 0 0 433.921 3.580 50 0 IHAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000032902944 556541330 /nfs/dbraw/zinc/54/13/30/556541330.db2.gz ZQFXEGDGRAVHFH-YWZLYKJASA-N 0 0 442.441 3.798 50 0 IHAARN Cn1c(CNC(=O)C=Cc2ccccc2Cl)nnc1SCC(=O)c1ccc(F)cc1 ZINC000032579347 556541575 /nfs/dbraw/zinc/54/15/75/556541575.db2.gz JXHINMKGCANWIB-DHZHZOJOSA-N 0 0 444.919 3.912 50 0 IHAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000032903072 556541850 /nfs/dbraw/zinc/54/18/50/556541850.db2.gz RFMYYRRXWFPYME-GOSISDBHSA-N 0 0 448.541 3.587 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000032722101 556547724 /nfs/dbraw/zinc/54/77/24/556547724.db2.gz SMHQOETWXHKJSG-MHLWUJJFSA-N 0 0 435.568 3.742 50 0 IHAARN CCn1ccc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc21 ZINC000072304167 556548179 /nfs/dbraw/zinc/54/81/79/556548179.db2.gz YQNKVGRYNXFJOF-UHFFFAOYSA-N 0 0 447.944 3.588 50 0 IHAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000015763639 556548820 /nfs/dbraw/zinc/54/88/20/556548820.db2.gz AFVGZAVNOJOIFS-UHFFFAOYSA-N 0 0 430.526 3.701 50 0 IHAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2OC)cc1 ZINC000015767666 556549094 /nfs/dbraw/zinc/54/90/94/556549094.db2.gz NNDNIZGHYVNSFH-LTGZKZEYSA-N 0 0 430.460 3.891 50 0 biogenic IHAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2OC)cc1 ZINC000015768422 556549598 /nfs/dbraw/zinc/54/95/98/556549598.db2.gz OFXHLGLTGJGRSH-HMMYKYKNSA-N 0 0 434.448 3.875 50 0 IHAARN COc1cc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccn1 ZINC000032905182 556551472 /nfs/dbraw/zinc/55/14/72/556551472.db2.gz WYOIYDAPKHDNDC-UHFFFAOYSA-N 0 0 428.842 3.690 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000013679093 556555697 /nfs/dbraw/zinc/55/56/97/556555697.db2.gz LYEOBOKZYQQEHV-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN COc1ccc2nc(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 ZINC000013681490 556556964 /nfs/dbraw/zinc/55/69/64/556556964.db2.gz STZZSGYDVYDBBB-GGAORHGYSA-N 0 0 426.538 3.548 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(I)o3)ns2)cc1 ZINC000015859959 556558503 /nfs/dbraw/zinc/55/85/03/556558503.db2.gz OEPPZHZJKQNSCL-UHFFFAOYSA-N 0 0 441.250 3.729 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274583 556558852 /nfs/dbraw/zinc/55/88/52/556558852.db2.gz GFWMPHWXPKREIJ-UHFFFAOYSA-N 0 0 428.554 3.977 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000015919194 556563325 /nfs/dbraw/zinc/56/33/25/556563325.db2.gz RMNKENUONFOHAG-UHFFFAOYSA-N 0 0 440.993 3.756 50 0 IHAARN Cc1sc2nc([C@@H](C)N3CCn4c(CCc5ccccc5)nnc4C3)[nH]c(=O)c2c1C ZINC000072308575 556565209 /nfs/dbraw/zinc/56/52/09/556565209.db2.gz QISIQXKOCCYDML-OAHLLOKOSA-N 0 0 434.569 3.555 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCO3)cc1 ZINC000033808214 556568043 /nfs/dbraw/zinc/56/80/43/556568043.db2.gz IKDPTAUVKIJYHR-UHFFFAOYSA-N 0 0 430.507 3.831 50 0 IHAARN CCN(CCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O)c1cccc(C)c1 ZINC000015962607 556569756 /nfs/dbraw/zinc/56/97/56/556569756.db2.gz NHHROTYKOFMUKG-UHFFFAOYSA-N 0 0 431.540 3.527 50 0 IHAARN Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000034298009 556572111 /nfs/dbraw/zinc/57/21/11/556572111.db2.gz HBUGOFLVIGUDIA-UHFFFAOYSA-N 0 0 431.899 3.849 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2Cl)cc1 ZINC000001127512 556573810 /nfs/dbraw/zinc/57/38/10/556573810.db2.gz DUBOGIRSTXBWLJ-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC ZINC000016016835 556574475 /nfs/dbraw/zinc/57/44/75/556574475.db2.gz HXRVZHLUAIYWKF-UHFFFAOYSA-N 0 0 432.542 3.909 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnnn1-c1ccccc1OC ZINC000032910377 556575079 /nfs/dbraw/zinc/57/50/79/556575079.db2.gz SJWRKGYZWIOWQA-UHFFFAOYSA-N 0 0 435.509 3.997 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(CN3CCOCC3)c3cccnc23)c1 ZINC000072311167 556577348 /nfs/dbraw/zinc/57/73/48/556577348.db2.gz HUZXXWSBAGDUCB-SFHVURJKSA-N 0 0 433.508 3.676 50 0 IHAARN COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000016084198 556581978 /nfs/dbraw/zinc/58/19/78/556581978.db2.gz AMWQNGOUURUNCT-UHFFFAOYSA-N 0 0 445.368 3.517 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1Cl ZINC000016096302 556582475 /nfs/dbraw/zinc/58/24/75/556582475.db2.gz ZITXOCDGRGXTSJ-UHFFFAOYSA-N 0 0 433.711 3.870 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 ZINC000034858991 556584154 /nfs/dbraw/zinc/58/41/54/556584154.db2.gz NELKXGWXXTYYTE-UHFFFAOYSA-N 0 0 425.510 3.602 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000034889293 556585817 /nfs/dbraw/zinc/58/58/17/556585817.db2.gz HDKYXMMRUSNBPA-MSOLQXFVSA-N 0 0 436.556 3.833 50 0 IHAARN CC(=O)Oc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OC(C)=O ZINC000034911774 556586327 /nfs/dbraw/zinc/58/63/27/556586327.db2.gz ITBOUDUQZIDSBK-UHFFFAOYSA-N 0 0 427.453 3.765 50 0 IHAARN CC(C)NC(=O)Nc1ccc(CNS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000109816904 556587994 /nfs/dbraw/zinc/58/79/94/556587994.db2.gz NFBHLSCXBINUHJ-UHFFFAOYSA-N 0 0 444.326 3.597 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000032967245 556588024 /nfs/dbraw/zinc/58/80/24/556588024.db2.gz UEBQQCGGZCHHBI-SJLPKXTDSA-N 0 0 426.344 3.760 50 0 IHAARN COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000032969224 556588491 /nfs/dbraw/zinc/58/84/91/556588491.db2.gz FOJGEOKQZCOZRR-NRFANRHFSA-N 0 0 432.948 3.696 50 0 IHAARN COc1ccc(C(=O)Oc2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016216381 556591905 /nfs/dbraw/zinc/59/19/05/556591905.db2.gz ZDDOWWZNDMUCIP-GOSISDBHSA-N 0 0 430.460 3.906 50 0 IHAARN O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000016225817 556592382 /nfs/dbraw/zinc/59/23/82/556592382.db2.gz LBZISERLBLBJDN-UHFFFAOYSA-N 0 0 440.341 3.726 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)N3CCN(CCOc4ccccc4)CC3)c(=O)oc2c1 ZINC000016233399 556593745 /nfs/dbraw/zinc/59/37/45/556593745.db2.gz VGPULQVKYHWHNW-UHFFFAOYSA-N 0 0 434.536 3.566 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)c(C)c(C(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000016249863 556594673 /nfs/dbraw/zinc/59/46/73/556594673.db2.gz HQJVPMPZEYSALZ-UHFFFAOYSA-N 0 0 447.285 3.714 50 0 IHAARN CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1 ZINC000071768564 556598601 /nfs/dbraw/zinc/59/86/01/556598601.db2.gz WZEFZZJWKZKMRZ-UHFFFAOYSA-N 0 0 426.839 3.602 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000016344176 556601060 /nfs/dbraw/zinc/60/10/60/556601060.db2.gz WJGNMVSIQBRJAI-LAUBAEHRSA-N 0 0 440.540 3.879 50 0 IHAARN COc1ccc([C@@H]2CCCN2CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000016382282 556603840 /nfs/dbraw/zinc/60/38/40/556603840.db2.gz RTLOMBFIVNVGQV-FQEVSTJZSA-N 0 0 445.947 3.591 50 0 IHAARN CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016383046 556604041 /nfs/dbraw/zinc/60/40/41/556604041.db2.gz GEVZRNOTDAIUNM-UHFFFAOYSA-N 0 0 434.533 3.869 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC000032988574 556608959 /nfs/dbraw/zinc/60/89/59/556608959.db2.gz DYQTYYRRVAQHKM-JOCHJYFZSA-N 0 0 427.976 3.920 50 0 IHAARN COc1ccc([C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c2nccn2C)cc1 ZINC000016476696 556610775 /nfs/dbraw/zinc/61/07/75/556610775.db2.gz BQVMIPOAFKLOOY-OAQYLSRUSA-N 0 0 441.915 3.692 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cccc(C)c4C)cc3=O)s2)cc1 ZINC000032996074 556611206 /nfs/dbraw/zinc/61/12/06/556611206.db2.gz KBNLCUSUVUIHGJ-UHFFFAOYSA-N 0 0 435.509 3.765 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000016499299 556612977 /nfs/dbraw/zinc/61/29/77/556612977.db2.gz AJKTVHVMNRDNFU-GOSISDBHSA-N 0 0 437.507 3.894 50 0 IHAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 ZINC000016609402 556617343 /nfs/dbraw/zinc/61/73/43/556617343.db2.gz FNIFZIFAHMNCQN-LBPRGKRZSA-N 0 0 431.583 3.886 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)cc1OC ZINC000004998624 556619356 /nfs/dbraw/zinc/61/93/56/556619356.db2.gz XBUZKFGENZSXBQ-UHFFFAOYSA-N 0 0 425.485 3.716 50 0 IHAARN O=C(COc1ccc(Cl)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000016654994 556620948 /nfs/dbraw/zinc/62/09/48/556620948.db2.gz VNNMPTCSKBBSPA-UHFFFAOYSA-N 0 0 427.638 3.558 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3F)CC2)c1 ZINC000016680235 556623504 /nfs/dbraw/zinc/62/35/04/556623504.db2.gz XSTJWSBEQDHFKJ-UHFFFAOYSA-N 0 0 438.908 3.721 50 0 IHAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCc4ccco4)cc3)n2)cc1 ZINC000032998868 556626756 /nfs/dbraw/zinc/62/67/56/556626756.db2.gz JXLGWDHRROWUSK-UHFFFAOYSA-N 0 0 447.516 3.958 50 0 IHAARN NC(=O)[C@@H]1CCCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016694637 556628243 /nfs/dbraw/zinc/62/82/43/556628243.db2.gz KMVNPNULZZJUFA-QVKFZJNVSA-N 0 0 431.330 3.754 50 0 IHAARN CCn1c(C(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc2sccc21 ZINC000005085457 556631425 /nfs/dbraw/zinc/63/14/25/556631425.db2.gz RRQOTHKYZIEISG-UHFFFAOYSA-N 0 0 425.554 3.900 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016742195 556635991 /nfs/dbraw/zinc/63/59/91/556635991.db2.gz GAEXQPAVMQMABH-FQEVSTJZSA-N 0 0 433.545 3.852 50 0 IHAARN CCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016752807 556638078 /nfs/dbraw/zinc/63/80/78/556638078.db2.gz WPLHFPSWZGSZGW-FQEVSTJZSA-N 0 0 431.554 3.704 50 0 IHAARN COc1cccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016752795 556638135 /nfs/dbraw/zinc/63/81/35/556638135.db2.gz RGHLPBVHCKRLPP-KRWDZBQOSA-N 0 0 431.485 3.718 50 0 IHAARN COCc1nn2c(ncc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040396394 556639037 /nfs/dbraw/zinc/63/90/37/556639037.db2.gz OPVNAJDKIAVDKC-UHFFFAOYSA-N 0 0 426.476 3.915 50 0 IHAARN Clc1ccccc1-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccccc1Cl ZINC000033837462 556639103 /nfs/dbraw/zinc/63/91/03/556639103.db2.gz IEQXYAVFYAJXHX-UHFFFAOYSA-N 0 0 442.097 3.624 50 0 IHAARN O=C(N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000016790646 556642777 /nfs/dbraw/zinc/64/27/77/556642777.db2.gz NCLSRMNJNUCELB-YPMHNXCESA-N 0 0 430.557 3.644 50 0 IHAARN COc1ccc2cc(CCNC(=O)c3cc(Br)ccc3Cl)c(=O)[nH]c2c1 ZINC000011726454 556646813 /nfs/dbraw/zinc/64/68/13/556646813.db2.gz HNUKRUNKCNFTLG-UHFFFAOYSA-N 0 0 435.705 3.925 50 0 IHAARN CN(Cc1ccccc1)C(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000038487171 556647925 /nfs/dbraw/zinc/64/79/25/556647925.db2.gz YHSPSLVLRKOPNO-UHFFFAOYSA-N 0 0 428.521 3.795 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@](=O)C3)c1C ZINC000011726347 556648849 /nfs/dbraw/zinc/64/88/49/556648849.db2.gz RDELWMMOXKHEOZ-WJOKGBTCSA-N 0 0 433.489 3.610 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)cc1 ZINC000038487382 556648997 /nfs/dbraw/zinc/64/89/97/556648997.db2.gz GIIHIEQHLHMXJT-UHFFFAOYSA-N 0 0 446.898 3.665 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)nc1C ZINC000017015674 556653051 /nfs/dbraw/zinc/65/30/51/556653051.db2.gz JOAUKCDCJHUJLK-AWEZNQCLSA-N 0 0 428.876 3.730 50 0 IHAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011758662 556653438 /nfs/dbraw/zinc/65/34/38/556653438.db2.gz JVWVDJLYTLPHJV-UHFFFAOYSA-N 0 0 440.916 3.912 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2cccc(Cl)c2)cc1 ZINC000011758635 556653456 /nfs/dbraw/zinc/65/34/56/556653456.db2.gz XFIIADSSNCXXPB-UHFFFAOYSA-N 0 0 438.900 3.797 50 0 IHAARN C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925188 556653646 /nfs/dbraw/zinc/65/36/46/556653646.db2.gz HYLBYTIDAZNFJZ-KRWDZBQOSA-N 0 0 426.476 3.526 50 0 IHAARN Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1Cl ZINC000011760349 556653848 /nfs/dbraw/zinc/65/38/48/556653848.db2.gz APGSWSJWYULMFZ-CQSZACIVSA-N 0 0 429.373 3.893 50 0 IHAARN Cc1nn(-c2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)c(C)c1Cl ZINC000033004440 556654513 /nfs/dbraw/zinc/65/45/13/556654513.db2.gz DVVNJFIHVMJMKE-UHFFFAOYSA-N 0 0 433.940 3.629 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000011765559 556654800 /nfs/dbraw/zinc/65/48/00/556654800.db2.gz MEDQNIHUNSRVBG-UHFFFAOYSA-N 0 0 434.521 3.638 50 0 IHAARN CCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033011667 556659612 /nfs/dbraw/zinc/65/96/12/556659612.db2.gz UNZIJFPBROJQIN-UHFFFAOYSA-N 0 0 446.529 3.737 50 0 IHAARN COc1ccccc1CNC(=O)CCCc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 ZINC000033013810 556663687 /nfs/dbraw/zinc/66/36/87/556663687.db2.gz KLAIVEWNHNLXKP-UHFFFAOYSA-N 0 0 432.480 3.534 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000248121383 556665211 /nfs/dbraw/zinc/66/52/11/556665211.db2.gz DWVUYDLNFHGLKI-MLNNCEHLSA-N 0 0 430.504 3.700 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)c(OC)c1 ZINC000011918447 556674772 /nfs/dbraw/zinc/67/47/72/556674772.db2.gz GCCCINGJAJLOSW-UHFFFAOYSA-N 0 0 436.508 3.990 50 0 IHAARN O=C(Nc1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000032932931 556676167 /nfs/dbraw/zinc/67/61/67/556676167.db2.gz NHEFAQAXGWTZBR-JOCHJYFZSA-N 0 0 438.505 3.506 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc4oc(C(N)=O)cc4c3)cc2C1=O ZINC000032935158 556677995 /nfs/dbraw/zinc/67/79/95/556677995.db2.gz YJUDKZJQWSEYGP-UHFFFAOYSA-N 0 0 439.427 3.893 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996869 556678894 /nfs/dbraw/zinc/67/88/94/556678894.db2.gz GNXASEDDTSFPHG-KRWDZBQOSA-N 0 0 445.928 3.824 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011997221 556679044 /nfs/dbraw/zinc/67/90/44/556679044.db2.gz MBZKDMOMTIHFIH-LJQANCHMSA-N 0 0 443.569 3.539 50 0 IHAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CSCc2ccccc2)[nH]c(=O)c1C ZINC000012008336 556680993 /nfs/dbraw/zinc/68/09/93/556680993.db2.gz APMRJNYOFDTBBZ-UHFFFAOYSA-N 0 0 435.509 3.704 50 0 IHAARN NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000010021001 556683377 /nfs/dbraw/zinc/68/33/77/556683377.db2.gz PXPSIEJMGFEEFT-UHFFFAOYSA-N 0 0 440.974 3.572 50 0 IHAARN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 ZINC000018244622 556687907 /nfs/dbraw/zinc/68/79/07/556687907.db2.gz DWATYEFPQXBCNU-RTBURBONSA-N 0 0 440.858 3.670 50 0 IHAARN Cc1ccc(OC(F)F)c(C(=O)COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000022987828 556688853 /nfs/dbraw/zinc/68/88/53/556688853.db2.gz MYXNBPHBWVFGHS-UHFFFAOYSA-N 0 0 444.434 3.739 50 0 IHAARN COc1cc2c(cc1NC(=O)c1ccccc1CN1C(=O)CNC1=O)oc1ccccc12 ZINC000010642248 556690794 /nfs/dbraw/zinc/69/07/94/556690794.db2.gz CUPOOPQPGIZSQD-UHFFFAOYSA-N 0 0 429.432 3.899 50 0 IHAARN CS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 ZINC000072313505 556693501 /nfs/dbraw/zinc/69/35/01/556693501.db2.gz WLCYLHFBMBHPAQ-WOJBJXKFSA-N 0 0 433.595 3.583 50 0 IHAARN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 ZINC000033024255 556694744 /nfs/dbraw/zinc/69/47/44/556694744.db2.gz UOCIFMDWKQNPCF-LJQANCHMSA-N 0 0 447.944 3.767 50 0 IHAARN O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@@H](O)COCc1cccs1 ZINC000072057688 556695599 /nfs/dbraw/zinc/69/55/99/556695599.db2.gz SHNYKQPLJDFPMC-IFMALSPDSA-N 0 0 436.533 3.831 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@@H]2c1ccc(Br)cc1 ZINC000019171417 556707410 /nfs/dbraw/zinc/70/74/10/556707410.db2.gz LTXBXKMAYZVNNP-KSZLIROESA-N 0 0 446.732 3.638 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000011122076 556710199 /nfs/dbraw/zinc/71/01/99/556710199.db2.gz CXQZDRILOFWEDA-UHFFFAOYSA-N 0 0 448.504 3.727 50 0 IHAARN Cc1oc2c(ccc3c2CN([C@H]2CCS(=O)(=O)C2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000013692681 556712008 /nfs/dbraw/zinc/71/20/08/556712008.db2.gz DOGGGXRDGGCNEM-INIZCTEOSA-N 0 0 445.924 3.761 50 0 IHAARN COc1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c(OC)c1 ZINC000033031870 556712595 /nfs/dbraw/zinc/71/25/95/556712595.db2.gz RTOFOOGRYJSSEF-UHFFFAOYSA-N 0 0 437.471 3.507 50 0 IHAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 ZINC000011140507 556720195 /nfs/dbraw/zinc/72/01/95/556720195.db2.gz JHMJXACVWCXVBV-NRFANRHFSA-N 0 0 443.931 3.869 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)c(C)c3)n2)CC1 ZINC000033037819 556723581 /nfs/dbraw/zinc/72/35/81/556723581.db2.gz AZACUVFMEYFNOJ-UHFFFAOYSA-N 0 0 447.539 3.602 50 0 IHAARN O=C(Nc1nnc(C2CCC2)s1)c1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O ZINC000061718424 556725214 /nfs/dbraw/zinc/72/52/14/556725214.db2.gz LMSWAYTYRQCDFM-UHFFFAOYSA-N 0 0 436.468 3.993 50 0 IHAARN Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(Nc2cccc3ccccc32)n1 ZINC000054313813 556730155 /nfs/dbraw/zinc/73/01/55/556730155.db2.gz WECMNLVRGATMEM-UHFFFAOYSA-N 0 0 429.503 3.812 50 0 IHAARN C[C@@H](c1ccncn1)N(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000055041899 556732319 /nfs/dbraw/zinc/73/23/19/556732319.db2.gz NGTZPGFADIYKBR-KRWDZBQOSA-N 0 0 434.569 3.694 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccccc2OC)n1Cc1ccccc1 ZINC000055099094 556734385 /nfs/dbraw/zinc/73/43/85/556734385.db2.gz NAIHBRFRULGRMB-SFHVURJKSA-N 0 0 427.570 3.927 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2cccc3ncccc23)n1Cc1ccccc1 ZINC000055099481 556734637 /nfs/dbraw/zinc/73/46/37/556734637.db2.gz JEYFNMDCYNOOHV-UHFFFAOYSA-N 0 0 434.565 3.905 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 ZINC000005217515 556740957 /nfs/dbraw/zinc/74/09/57/556740957.db2.gz KPUTUTOASGKPLY-GPUOULLFSA-N 0 0 430.589 3.821 50 0 IHAARN Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)n1 ZINC000055414902 556741221 /nfs/dbraw/zinc/74/12/21/556741221.db2.gz LAGOIVAGMBPZFW-LJQANCHMSA-N 0 0 430.643 3.665 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1c(C)nc3ccccc3c1C)CC2 ZINC000019356711 556745398 /nfs/dbraw/zinc/74/53/98/556745398.db2.gz VLAKQTQKYOLWHW-UHFFFAOYSA-N 0 0 434.492 3.611 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)N1CCCc2ccccc21 ZINC000057487042 556747892 /nfs/dbraw/zinc/74/78/92/556747892.db2.gz GJQJSMJLCNVJIC-UHFFFAOYSA-N 0 0 428.448 3.913 50 0 IHAARN COc1ccc(C)cc1/C=C/C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 ZINC000058008824 556752816 /nfs/dbraw/zinc/75/28/16/556752816.db2.gz YGZMYCPIRCNNGI-YRNVUSSQSA-N 0 0 449.507 3.576 50 0 IHAARN COC(=O)c1cccc(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000058010178 556753183 /nfs/dbraw/zinc/75/31/83/556753183.db2.gz KJNOSPYMEFGHBB-SFHVURJKSA-N 0 0 449.429 3.977 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101878461 556755263 /nfs/dbraw/zinc/75/52/63/556755263.db2.gz HOWMAEFMTWUHGU-JFIYKMOQSA-N 0 0 438.530 3.631 50 0 IHAARN CNC(=O)CN(C(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1)c1cccc(OC)c1 ZINC000058052450 556755597 /nfs/dbraw/zinc/75/55/97/556755597.db2.gz UFCFDGOFOKBEPU-MDZDMXLPSA-N 0 0 446.931 3.937 50 0 IHAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058105850 556758497 /nfs/dbraw/zinc/75/84/97/556758497.db2.gz YBWRAZLAIKIDDN-UHFFFAOYSA-N 0 0 428.464 3.805 50 0 IHAARN COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000058264047 556776051 /nfs/dbraw/zinc/77/60/51/556776051.db2.gz TWPFYBDNMWEPGK-JOCHJYFZSA-N 0 0 440.496 3.983 50 0 IHAARN CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000058310852 556779821 /nfs/dbraw/zinc/77/98/21/556779821.db2.gz OGSGXDVJXRJXAD-SFHVURJKSA-N 0 0 435.307 3.897 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000058313915 556780315 /nfs/dbraw/zinc/78/03/15/556780315.db2.gz LRRFFCKKGFKDBE-OAQYLSRUSA-N 0 0 440.569 3.581 50 0 IHAARN CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000058369283 556783402 /nfs/dbraw/zinc/78/34/02/556783402.db2.gz FKVHXLRDHJWXCE-UHFFFAOYSA-N 0 0 446.569 3.706 50 0 IHAARN O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000058406093 556785869 /nfs/dbraw/zinc/78/58/69/556785869.db2.gz RWUFMVDIHCRAGD-MRXNPFEDSA-N 0 0 431.458 3.844 50 0 IHAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000058406979 556786196 /nfs/dbraw/zinc/78/61/96/556786196.db2.gz HRULTFZGDLGZLJ-UHFFFAOYSA-N 0 0 433.365 3.804 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000058406777 556786211 /nfs/dbraw/zinc/78/62/11/556786211.db2.gz VPQDTUYINJQDOS-CJNGLKHVSA-N 0 0 445.441 3.820 50 0 IHAARN Cn1ccnc1[C@](O)(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(F)(F)F ZINC000058564164 556790088 /nfs/dbraw/zinc/79/00/88/556790088.db2.gz ROEFNGOANVJGCX-HXUWFJFHSA-N 0 0 437.393 3.808 50 0 IHAARN COc1ccc(CN2CCN(Cc3ccccc3Br)CC2)c(OC)c1OC ZINC000019552839 556796780 /nfs/dbraw/zinc/79/67/80/556796780.db2.gz QPKGESYHVAWZDM-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001516633 556797439 /nfs/dbraw/zinc/79/74/39/556797439.db2.gz JXLHZCPWQGFCCC-UHFFFAOYSA-N 0 0 428.539 3.632 50 0 IHAARN CCN(CC)C(=O)c1ccc(CNC(=O)N(CC)C[C@H]2COc3ccccc3O2)cc1 ZINC000059301399 556797478 /nfs/dbraw/zinc/79/74/78/556797478.db2.gz OFXAURDXMOGCBD-FQEVSTJZSA-N 0 0 425.529 3.540 50 0 IHAARN COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)Nc2cccc(O)c2)cc1 ZINC000002060029 556798443 /nfs/dbraw/zinc/79/84/43/556798443.db2.gz YZHZHPPLJXRVCA-FYJGNVAPSA-N 0 0 448.475 3.828 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000002105774 556798857 /nfs/dbraw/zinc/79/88/57/556798857.db2.gz NESXMZAOHRXWFC-ZDUSSCGKSA-N 0 0 425.437 3.984 50 0 biogenic IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011199089 556799211 /nfs/dbraw/zinc/79/92/11/556799211.db2.gz UCXABQVKNWRMAU-UHFFFAOYSA-N 0 0 447.472 3.833 50 0 IHAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(C(C)C)cc2)c3=O)cc1 ZINC000002418942 556799299 /nfs/dbraw/zinc/79/92/99/556799299.db2.gz MXLPTCLCHYYNED-JCMHNJIXSA-N 0 0 447.560 3.562 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 ZINC000072401849 556801816 /nfs/dbraw/zinc/80/18/16/556801816.db2.gz OOPLARIIEJRORT-GOSISDBHSA-N 0 0 440.569 3.943 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000033058734 556807893 /nfs/dbraw/zinc/80/78/93/556807893.db2.gz NYYYNXRXSWCPNA-SXSDINLZSA-N 0 0 445.585 3.777 50 0 IHAARN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000060381050 556812479 /nfs/dbraw/zinc/81/24/79/556812479.db2.gz PFUAATDAOLKSAE-UHFFFAOYSA-N 0 0 435.790 3.583 50 0 IHAARN Nn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 ZINC000003373168 556812853 /nfs/dbraw/zinc/81/28/53/556812853.db2.gz MJXKVZWHIXYUSC-UHFFFAOYSA-N 0 0 425.848 3.645 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000003347875 556813606 /nfs/dbraw/zinc/81/36/06/556813606.db2.gz JCMRFAAUCHFSTC-CQSZACIVSA-N 0 0 429.523 3.889 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2ccccc2Cl)cc1 ZINC000003430404 556815236 /nfs/dbraw/zinc/81/52/36/556815236.db2.gz SEPOMMQVBTYVDC-UHFFFAOYSA-N 0 0 446.960 3.841 50 0 IHAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003547320 556817344 /nfs/dbraw/zinc/81/73/44/556817344.db2.gz MABGWIURMMEKLJ-UHFFFAOYSA-N 0 0 440.496 3.765 50 0 IHAARN CC(C)CCNC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063376 556818792 /nfs/dbraw/zinc/81/87/92/556818792.db2.gz XBKIKVLKROSWEC-GOSISDBHSA-N 0 0 441.475 3.884 50 0 IHAARN CCc1cccc(C)c1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000033062851 556819201 /nfs/dbraw/zinc/81/92/01/556819201.db2.gz SUPIYEWTGXZISB-UHFFFAOYSA-N 0 0 427.526 3.794 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(F)cc3)nc12 ZINC000033067847 556819798 /nfs/dbraw/zinc/81/97/98/556819798.db2.gz XCTFHFPETPOCCC-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033067981 556820312 /nfs/dbraw/zinc/82/03/12/556820312.db2.gz MQSUMICUIGTWLW-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)COc3ccccc3C)cc(=O)n2c1 ZINC000033068120 556820524 /nfs/dbraw/zinc/82/05/24/556820524.db2.gz QLOSQUYKNJQLFE-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1OC ZINC000033068158 556820600 /nfs/dbraw/zinc/82/06/00/556820600.db2.gz QMJWYZWROMEEHV-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000033068149 556820882 /nfs/dbraw/zinc/82/08/82/556820882.db2.gz QOOYNXUUUWOLNQ-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(-n2ccn3c(CCCC(=O)NCCC4=CCCCC4)nnc3c2=O)cc1C ZINC000064591444 556825137 /nfs/dbraw/zinc/82/51/37/556825137.db2.gz OAOCLHLQLDNUFR-UHFFFAOYSA-N 0 0 433.556 3.826 50 0 IHAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206670518 556827406 /nfs/dbraw/zinc/82/74/06/556827406.db2.gz ICXCTIACGSAUFO-WMZOPIPTSA-N 0 0 427.545 3.704 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)cc(OCC)c1OCC ZINC000065000999 556830429 /nfs/dbraw/zinc/83/04/29/556830429.db2.gz NQEPDMJTRSMLPX-IBGZPJMESA-N 0 0 442.560 3.514 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 ZINC000019617835 556831571 /nfs/dbraw/zinc/83/15/71/556831571.db2.gz OZUCWZPKJDOKAA-OAQYLSRUSA-N 0 0 439.947 3.901 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1cccnc1)cc2=O)Nc1cc(F)ccc1F ZINC000065305067 556833231 /nfs/dbraw/zinc/83/32/31/556833231.db2.gz DWPPMQKDMRODOC-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Sc1n[nH]c(-c2ccccn2)n1 ZINC000334161308 556837255 /nfs/dbraw/zinc/83/72/55/556837255.db2.gz YWFOHUSHEFFOLR-UHFFFAOYSA-N 0 0 431.499 3.940 50 0 IHAARN COc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000022997651 556838541 /nfs/dbraw/zinc/83/85/41/556838541.db2.gz MVYYIOPDFPHJQW-UHFFFAOYSA-N 0 0 443.544 3.742 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3ccccc3O)CC2)sc2c1CC[C@H](C)C2 ZINC000019643938 556838832 /nfs/dbraw/zinc/83/88/32/556838832.db2.gz XMODEEIXRMXHCM-AWEZNQCLSA-N 0 0 445.610 3.884 50 0 IHAARN CCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000022998593 556841019 /nfs/dbraw/zinc/84/10/19/556841019.db2.gz WYNYBYSLXKWKRZ-UHFFFAOYSA-N 0 0 447.507 3.952 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)NC(N)=O ZINC000008719639 556843195 /nfs/dbraw/zinc/84/31/95/556843195.db2.gz YMJOEOAMMMVWLP-OAHLLOKOSA-N 0 0 437.569 3.966 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)nc(C)n2)n1 ZINC000067601772 556843200 /nfs/dbraw/zinc/84/32/00/556843200.db2.gz JOPMBZLLGBXZJM-UHFFFAOYSA-N 0 0 439.951 3.903 50 0 IHAARN Cc1ccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)cc1 ZINC000008728120 556843783 /nfs/dbraw/zinc/84/37/83/556843783.db2.gz QDEGEBXITFUYMU-INIZCTEOSA-N 0 0 448.552 3.502 50 0 IHAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O ZINC000008746013 556845361 /nfs/dbraw/zinc/84/53/61/556845361.db2.gz VXDIQXNMUPIPMN-HSZRJFAPSA-N 0 0 425.460 3.672 50 0 IHAARN O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000008768376 556845984 /nfs/dbraw/zinc/84/59/84/556845984.db2.gz LAGDOEWDLMSGQX-SFHVURJKSA-N 0 0 435.299 3.523 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000008843873 556849789 /nfs/dbraw/zinc/84/97/89/556849789.db2.gz FOOIXLMMSFTXDJ-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN Cc1sc(-n2cnnn2)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C ZINC000526052600 556851316 /nfs/dbraw/zinc/85/13/16/556851316.db2.gz RXFSPIKYCDHVIL-IBGZPJMESA-N 0 0 443.536 3.931 50 0 IHAARN COc1ccccc1-n1nnnc1SCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008861209 556851332 /nfs/dbraw/zinc/85/13/32/556851332.db2.gz ZOMPTKWREODOMY-UHFFFAOYSA-N 0 0 445.353 3.544 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)sc2nc[nH]c(=O)c12 ZINC000033073445 556852639 /nfs/dbraw/zinc/85/26/39/556852639.db2.gz RBXFQZBPTUNTBQ-UHFFFAOYSA-N 0 0 448.907 3.576 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCc5ccc(C)o5)CC4)c32)cc1 ZINC000033084920 556855111 /nfs/dbraw/zinc/85/51/11/556855111.db2.gz IVKSKHJOPDLCTN-UHFFFAOYSA-N 0 0 447.495 3.728 50 0 IHAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)c3cc(C)ccc3n2)cc1 ZINC000033106359 556858955 /nfs/dbraw/zinc/85/89/55/556858955.db2.gz CCXIHJXIIUJAOZ-UHFFFAOYSA-N 0 0 444.535 3.911 50 0 IHAARN CCOC(=O)CC1(NC(=O)N2CCN(c3nc4ccccc4n3CC)CC2)CCCCC1 ZINC000033106475 556859255 /nfs/dbraw/zinc/85/92/55/556859255.db2.gz VRSLSLVRAGUOGR-UHFFFAOYSA-N 0 0 441.576 3.544 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)NCc3ccccc3Cn3cncn3)c2C(F)(F)F)cc1 ZINC000033107673 556859741 /nfs/dbraw/zinc/85/97/41/556859741.db2.gz FKUFFRVJDVHYDV-UHFFFAOYSA-N 0 0 440.429 3.769 50 0 IHAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NCCC(C)C)C3)s2)cc1 ZINC000033113164 556859784 /nfs/dbraw/zinc/85/97/84/556859784.db2.gz GIBGKGVJMSIXGX-HNNXBMFYSA-N 0 0 431.562 3.734 50 0 IHAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000033122756 556863617 /nfs/dbraw/zinc/86/36/17/556863617.db2.gz MKHDJUCTUWMUCP-QGZVFWFLSA-N 0 0 440.525 3.636 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 ZINC000033122729 556863647 /nfs/dbraw/zinc/86/36/47/556863647.db2.gz YEHSMCCGCHETST-OAHLLOKOSA-N 0 0 440.525 3.536 50 0 IHAARN C[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000033125033 556866302 /nfs/dbraw/zinc/86/63/02/556866302.db2.gz LVRYXOVTQRLOAI-GFCCVEGCSA-N 0 0 432.249 3.540 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129796 556869263 /nfs/dbraw/zinc/86/92/63/556869263.db2.gz BRVMGKVYXKWSIV-UHFFFAOYSA-N 0 0 427.570 3.516 50 0 IHAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Br)cc3F)cc21 ZINC000033130140 556869750 /nfs/dbraw/zinc/86/97/50/556869750.db2.gz WIMVCIAPWQKLNU-UHFFFAOYSA-N 0 0 442.310 3.944 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(CCn3c(-c4ccncc4)nc4cccnc43)CC2)cc1 ZINC000033139779 556875015 /nfs/dbraw/zinc/87/50/15/556875015.db2.gz OIFDKYIWOIIRGP-UHFFFAOYSA-N 0 0 441.539 3.651 50 0 IHAARN OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccc(F)c(F)c1 ZINC000019731989 556876710 /nfs/dbraw/zinc/87/67/10/556876710.db2.gz SLNPATYXOBOECV-FQEVSTJZSA-N 0 0 440.494 3.616 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCCC3)c2=O)c1 ZINC000033141593 556877968 /nfs/dbraw/zinc/87/79/68/556877968.db2.gz QSFRHQCCRLIROX-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN CCOc1ccccc1CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccccc1 ZINC000033141709 556878074 /nfs/dbraw/zinc/87/80/74/556878074.db2.gz KLHJKVNHUKJFGT-UHFFFAOYSA-N 0 0 430.551 3.902 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000033171012 556881791 /nfs/dbraw/zinc/88/17/91/556881791.db2.gz RMSUIRIHUMFCLP-XFXZXTDPSA-N 0 0 437.521 3.859 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)Nc1ccccc1F ZINC000033171406 556882281 /nfs/dbraw/zinc/88/22/81/556882281.db2.gz ZQQVCLWFGKURTL-UHFFFAOYSA-N 0 0 426.473 3.962 50 0 IHAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000033172526 556882867 /nfs/dbraw/zinc/88/28/67/556882867.db2.gz RAVNHMVXNPSKSD-UHFFFAOYSA-N 0 0 435.528 4.000 50 0 IHAARN Cn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1=O ZINC000033169672 556884677 /nfs/dbraw/zinc/88/46/77/556884677.db2.gz MRCBDCUKPPATQE-UHFFFAOYSA-N 0 0 445.445 3.743 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)NC1CCN(c2nc3ccccc3n(C)c2=O)CC1 ZINC000033169714 556885027 /nfs/dbraw/zinc/88/50/27/556885027.db2.gz WMSPSIHNJAIVGB-UHFFFAOYSA-N 0 0 425.920 3.686 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NCc1ccc(C)o1 ZINC000033170685 556886407 /nfs/dbraw/zinc/88/64/07/556886407.db2.gz KVBRMSKAAYZEDL-YFHOEESVSA-N 0 0 445.497 3.500 50 0 IHAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000033249314 556888962 /nfs/dbraw/zinc/88/89/62/556888962.db2.gz IMIHVTGMCAVHQM-UHFFFAOYSA-N 0 0 444.553 3.958 50 0 IHAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)N4c5ccccc5C[C@@H]4C)CC3)cc2)no1 ZINC000033254433 556890616 /nfs/dbraw/zinc/89/06/16/556890616.db2.gz FAEXQNNQVOIBGK-INIZCTEOSA-N 0 0 430.508 3.875 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000033251891 556892318 /nfs/dbraw/zinc/89/23/18/556892318.db2.gz NSJKRHLNIKBGFZ-QGZVFWFLSA-N 0 0 441.322 3.770 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)c(C)o2)cc1 ZINC000033252230 556892635 /nfs/dbraw/zinc/89/26/35/556892635.db2.gz ZYZKVXVMAGYQII-UHFFFAOYSA-N 0 0 439.487 3.521 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)c(C)o2)cc1 ZINC000033252179 556892644 /nfs/dbraw/zinc/89/26/44/556892644.db2.gz WQVCZMXMOKPWFQ-UHFFFAOYSA-N 0 0 434.540 3.683 50 0 IHAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 ZINC000016043062 556893120 /nfs/dbraw/zinc/89/31/20/556893120.db2.gz AVRNXAYFHJFLFS-UCGXPXSYSA-N 0 0 438.568 3.688 50 0 biogenic IHAARN CCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)cc3Br)cc2)no1 ZINC000033258407 556896136 /nfs/dbraw/zinc/89/61/36/556896136.db2.gz OSXOEWWXCBDCPI-UHFFFAOYSA-N 0 0 443.301 3.738 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000019760402 556904047 /nfs/dbraw/zinc/90/40/47/556904047.db2.gz VPQMENJFHQOKDX-UHFFFAOYSA-N 0 0 441.597 3.560 50 0 IHAARN COCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000010665809 556912423 /nfs/dbraw/zinc/91/24/23/556912423.db2.gz VWNAFLJBFMISQU-UHFFFAOYSA-N 0 0 445.368 3.886 50 0 IHAARN CCCCC(=O)N[C@@H](NC(=S)Nc1cc(OC)ccc1OC)C(Cl)(Cl)Cl ZINC000019800001 556917236 /nfs/dbraw/zinc/91/72/36/556917236.db2.gz AXEDSBMOGCCINF-AWEZNQCLSA-N 0 0 442.796 3.993 50 0 IHAARN COCC(=O)OCCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019802475 556917744 /nfs/dbraw/zinc/91/77/44/556917744.db2.gz FRGCXZSGPORGBF-HXUWFJFHSA-N 0 0 447.000 3.896 50 0 IHAARN Cc1nn2c(nnc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821546 556924648 /nfs/dbraw/zinc/92/46/48/556924648.db2.gz KWNKYZSTZSTJSG-UHFFFAOYSA-N 0 0 431.839 3.786 50 0 IHAARN Cc1nc([C@@H](C)N(C)C(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)o2)c(C)s1 ZINC000019838987 556929092 /nfs/dbraw/zinc/92/90/92/556929092.db2.gz DYPVAZNPJULPQU-GFCCVEGCSA-N 0 0 428.514 3.615 50 0 IHAARN O=C(c1ccco1)N1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000019839490 556929104 /nfs/dbraw/zinc/92/91/04/556929104.db2.gz MZNIFCLPFVBWCF-UHFFFAOYSA-N 0 0 428.492 3.801 50 0 IHAARN O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)sc1c2CC[C@H](N2CCOCC2)C1 ZINC000019852937 556930916 /nfs/dbraw/zinc/93/09/16/556930916.db2.gz ATHHWKXSTOKQHE-INIZCTEOSA-N 0 0 449.498 3.715 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1Cl ZINC000019857992 556931777 /nfs/dbraw/zinc/93/17/77/556931777.db2.gz SGYOMQANTITDJJ-MRXNPFEDSA-N 0 0 436.961 3.838 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 ZINC000019859674 556932039 /nfs/dbraw/zinc/93/20/39/556932039.db2.gz FECWGWRXSCUBCS-INIZCTEOSA-N 0 0 436.961 3.919 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1Cl ZINC000019867655 556934876 /nfs/dbraw/zinc/93/48/76/556934876.db2.gz CGTJFMJIOITITQ-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN COCCN1CCn2c3ccc(NC(=O)c4cccc(Br)c4)cc3nc2C1 ZINC000019874452 556935829 /nfs/dbraw/zinc/93/58/29/556935829.db2.gz SGHPWNZVIVHNOX-UHFFFAOYSA-N 0 0 429.318 3.513 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019892808 556939851 /nfs/dbraw/zinc/93/98/51/556939851.db2.gz YENVOWCFRKCRQR-UHFFFAOYSA-N 0 0 429.767 3.609 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1 ZINC000019939477 556953372 /nfs/dbraw/zinc/95/33/72/556953372.db2.gz BQCZUWKNPWVRAK-NRFANRHFSA-N 0 0 427.382 3.757 50 0 IHAARN COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944552 556954267 /nfs/dbraw/zinc/95/42/67/556954267.db2.gz CYTJRTQYAAMMHA-MRXNPFEDSA-N 0 0 436.217 3.591 50 0 IHAARN COc1ccc(-c2c(C)nn3c2ncc2c3ccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000019962651 556955851 /nfs/dbraw/zinc/95/58/51/556955851.db2.gz CLCHOJLNBXEFCV-UHFFFAOYSA-N 0 0 440.459 3.789 50 0 IHAARN CCCCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019995520 556957069 /nfs/dbraw/zinc/95/70/69/556957069.db2.gz NIINGNKIAUHOPB-UHFFFAOYSA-N 0 0 429.546 3.501 50 0 IHAARN O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)NCCCN1CCOCC1 ZINC000020029138 556968130 /nfs/dbraw/zinc/96/81/30/556968130.db2.gz CUOJOGJOQCRFBM-LJQANCHMSA-N 0 0 447.373 3.515 50 0 IHAARN CCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000020057875 556975281 /nfs/dbraw/zinc/97/52/81/556975281.db2.gz RTDDPMYYEPOSFM-JOCHJYFZSA-N 0 0 441.959 3.973 50 0 IHAARN CCn1c2cc(C)c(NC(=O)c3ccccc3Br)cc2n(CC)c(=O)c1=O ZINC000033265649 556976347 /nfs/dbraw/zinc/97/63/47/556976347.db2.gz YQALVIIFLAPPJT-UHFFFAOYSA-N 0 0 430.302 3.526 50 0 IHAARN COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086309 556978999 /nfs/dbraw/zinc/97/89/99/556978999.db2.gz CJKTYALAAYPEMR-FQEVSTJZSA-N 0 0 433.464 3.575 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000096820575 556979506 /nfs/dbraw/zinc/97/95/06/556979506.db2.gz PVDLRSCIVWWGOG-HMMYKYKNSA-N 0 0 429.436 3.747 50 0 IHAARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103488 556980938 /nfs/dbraw/zinc/98/09/38/556980938.db2.gz IRUSARGJGGKHKR-IFXJQAMLSA-N 0 0 442.878 3.924 50 0 IHAARN CCc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000033268374 556984151 /nfs/dbraw/zinc/98/41/51/556984151.db2.gz FHHGPUNXCQVVEQ-UHFFFAOYSA-N 0 0 433.917 3.831 50 0 IHAARN Cc1cc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)ccc1F ZINC000097096226 556984393 /nfs/dbraw/zinc/98/43/93/556984393.db2.gz KYJUSJLDMNKBDD-MRXNPFEDSA-N 0 0 426.473 3.775 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1OC ZINC000033268520 556984513 /nfs/dbraw/zinc/98/45/13/556984513.db2.gz PPBXWFMZWTYHCR-UHFFFAOYSA-N 0 0 431.448 3.543 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097097682 556984581 /nfs/dbraw/zinc/98/45/81/556984581.db2.gz QKJQGACPPHNZRH-QFIPXVFZSA-N 0 0 438.959 3.704 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000023043522 556986352 /nfs/dbraw/zinc/98/63/52/556986352.db2.gz HKOATAPKYFIFGB-HNNXBMFYSA-N 0 0 444.582 3.510 50 0 IHAARN O=C(NCCCc1ccccc1)c1nnn2c1CO[C@@H](c1ccc(Br)cc1)C2 ZINC000097122773 556990535 /nfs/dbraw/zinc/99/05/35/556990535.db2.gz PZJGFXYIJMWQLO-LJQANCHMSA-N 0 0 441.329 3.675 50 0 IHAARN CN1c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097123407 556990821 /nfs/dbraw/zinc/99/08/21/556990821.db2.gz KVHMGYLLZOHWAW-IBGZPJMESA-N 0 0 433.430 3.917 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 ZINC000020219618 556999983 /nfs/dbraw/zinc/99/99/83/556999983.db2.gz RAZQWDWTVSGIHY-NRFANRHFSA-N 0 0 438.911 3.714 50 0 IHAARN COc1ccc(CCNC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)cc1OC ZINC000020259038 557004165 /nfs/dbraw/zinc/00/41/65/557004165.db2.gz PPLICARZLCGFAE-UHFFFAOYSA-N 0 0 440.340 3.680 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCCN1CCOCC1 ZINC000020357937 557011754 /nfs/dbraw/zinc/01/17/54/557011754.db2.gz LIGOUVUXEFMEHS-NRFANRHFSA-N 0 0 438.911 3.714 50 0 IHAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)NCc1ccccc1)C2 ZINC000045994541 557014833 /nfs/dbraw/zinc/01/48/33/557014833.db2.gz VZABJYGLCQBJPX-UHFFFAOYSA-N 0 0 441.487 3.661 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1OC ZINC000045992467 557018258 /nfs/dbraw/zinc/01/82/58/557018258.db2.gz YLTSWXABTVKVKC-NSHDSACASA-N 0 0 438.406 3.719 50 0 IHAARN CN1C2=C(C(=O)N(Cc3ccccn3)C2)[C@@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000033717614 557019033 /nfs/dbraw/zinc/01/90/33/557019033.db2.gz WAFPHMQMQJWLDB-XMMPIXPASA-N 0 0 440.503 3.653 50 0 IHAARN O=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)Nc1cc2c(cc1Cl)OCCCO2 ZINC000010713942 557020419 /nfs/dbraw/zinc/02/04/19/557020419.db2.gz BRNGXGPKAVOCME-UHFFFAOYSA-N 0 0 440.235 3.679 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1O ZINC000046017216 557020417 /nfs/dbraw/zinc/02/04/17/557020417.db2.gz LYQCCQZDQFZTJP-MRXNPFEDSA-N 0 0 437.521 3.569 50 0 IHAARN Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000023138674 557021960 /nfs/dbraw/zinc/02/19/60/557021960.db2.gz XDMGKNLEHNFDCK-HNNXBMFYSA-N 0 0 437.521 3.519 50 0 IHAARN Cc1cc(OCC(=O)N2CCN(C)CC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016530 557023023 /nfs/dbraw/zinc/02/30/23/557023023.db2.gz RYCQCOZEJRNARL-UHFFFAOYSA-N 0 0 441.535 3.549 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1 ZINC000023144733 557026409 /nfs/dbraw/zinc/02/64/09/557026409.db2.gz QJRMJVSVWRXJTE-UHFFFAOYSA-N 0 0 440.550 3.633 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010781446 557027123 /nfs/dbraw/zinc/02/71/23/557027123.db2.gz GVIWKMHWTREJKS-UHFFFAOYSA-N 0 0 431.540 3.924 50 0 IHAARN NC(=O)N1CCCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 ZINC000072079706 557027359 /nfs/dbraw/zinc/02/73/59/557027359.db2.gz OQARIAZZPRJAIH-UHFFFAOYSA-N 0 0 427.501 3.846 50 0 IHAARN C[C@@H](C(=O)NCCCN(C)c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944894 557028071 /nfs/dbraw/zinc/02/80/71/557028071.db2.gz PKQRYZSWZSXLIK-HNNXBMFYSA-N 0 0 432.446 3.619 50 0 IHAARN COc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)cc1OC ZINC000046057119 557028855 /nfs/dbraw/zinc/02/88/55/557028855.db2.gz XBMDMIULKTZGAF-CQSZACIVSA-N 0 0 427.407 3.785 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000046074726 557030951 /nfs/dbraw/zinc/03/09/51/557030951.db2.gz BNDLFGWPWJTOQQ-SFHVURJKSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)c1 ZINC000046074778 557031182 /nfs/dbraw/zinc/03/11/82/557031182.db2.gz HIHMFGORTLOSEG-INIZCTEOSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)cc1 ZINC000046074941 557031525 /nfs/dbraw/zinc/03/15/25/557031525.db2.gz AKWWYLHVPCTPPI-CQSZACIVSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046075711 557032409 /nfs/dbraw/zinc/03/24/09/557032409.db2.gz ZYPXNNAYZNADAM-OAHLLOKOSA-N 0 0 438.484 3.574 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)ccc1OCC(N)=O ZINC000046077119 557032668 /nfs/dbraw/zinc/03/26/68/557032668.db2.gz KVVHWOKNDPVMHU-OAHLLOKOSA-N 0 0 426.469 3.901 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000010864216 557043621 /nfs/dbraw/zinc/04/36/21/557043621.db2.gz XQTNUFJCGIVCRL-CQSZACIVSA-N 0 0 440.459 3.666 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2cccc(C)c2)n(C)c(=O)n3C)cc1 ZINC000046145975 557044369 /nfs/dbraw/zinc/04/43/69/557044369.db2.gz NDWJRNWRFJAIEQ-UHFFFAOYSA-N 0 0 449.532 3.579 50 0 IHAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000010869119 557044566 /nfs/dbraw/zinc/04/45/66/557044566.db2.gz YYTVONTTXNBZEG-WEVVVXLNSA-N 0 0 434.286 3.970 50 0 IHAARN O=S1(=O)CCN(C[C@@H]2CCCO2)c2c(Oc3ccccc3F)nc(F)c(Cl)c21 ZINC000024615061 557045633 /nfs/dbraw/zinc/04/56/33/557045633.db2.gz FOKSRAMWFDUACF-NSHDSACASA-N 0 0 430.860 3.578 50 0 IHAARN O=S1(=O)CCN(Cc2cccnc2)c2c(Oc3ccccc3F)nc(F)c(Cl)c21 ZINC000024614432 557045788 /nfs/dbraw/zinc/04/57/88/557045788.db2.gz KIHUHJJPZCTUEX-UHFFFAOYSA-N 0 0 437.855 3.994 50 0 IHAARN CCn1c(C)cc(C(=O)COC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C ZINC000017265352 557048112 /nfs/dbraw/zinc/04/81/12/557048112.db2.gz PQHZCUJEXQAISG-UHFFFAOYSA-N 0 0 427.888 3.672 50 0 IHAARN CCCCCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(C)=O)cc2)n(C)c1=O ZINC000017269935 557048499 /nfs/dbraw/zinc/04/84/99/557048499.db2.gz OMXYSCCTQPPMHV-UHFFFAOYSA-N 0 0 435.528 3.538 50 0 IHAARN COc1ccccc1-n1c(=O)n(Cc2nc(-c3cccs3)oc2C)c(=O)c2cccnc21 ZINC000033271086 557048980 /nfs/dbraw/zinc/04/89/80/557048980.db2.gz VNFLMQSTKZNVLX-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN O=C(COc1ccc2ccccc2c1Br)NC1CCN(c2ncccn2)CC1 ZINC000048260363 557048991 /nfs/dbraw/zinc/04/89/91/557048991.db2.gz KPYOYFBLEHXZSK-UHFFFAOYSA-N 0 0 441.329 3.556 50 0 IHAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCC3)nc2O)cc1 ZINC000017271338 557049059 /nfs/dbraw/zinc/04/90/59/557049059.db2.gz IBCANPTYHBTHQM-UHFFFAOYSA-N 0 0 449.598 3.509 50 0 IHAARN CC(C)n1nc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c2ccccc2c1=O ZINC000048265702 557050897 /nfs/dbraw/zinc/05/08/97/557050897.db2.gz MXHHJTWLRGSNIY-UHFFFAOYSA-N 0 0 439.537 3.946 50 0 IHAARN O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cccc(Cl)c1 ZINC000022932905 557050923 /nfs/dbraw/zinc/05/09/23/557050923.db2.gz PTFRPIDSROORLR-UHFFFAOYSA-N 0 0 435.355 3.578 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2)c1 ZINC000048273858 557051029 /nfs/dbraw/zinc/05/10/29/557051029.db2.gz WFASWMWVVWLQDL-LEWJYISDSA-N 0 0 428.554 3.888 50 0 IHAARN COc1ccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc1OC ZINC000022933219 557051161 /nfs/dbraw/zinc/05/11/61/557051161.db2.gz IZKLRKRMDKJPNQ-UHFFFAOYSA-N 0 0 425.554 3.675 50 0 IHAARN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(Cc3csc4ccccc34)CC1)C2=O ZINC000022933728 557051171 /nfs/dbraw/zinc/05/11/71/557051171.db2.gz UNNUTSFNDHWWMU-QZTJIDSGSA-N 0 0 440.613 3.723 50 0 IHAARN CN(CCc1noc(C(=O)NCc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)cc1F ZINC000033273378 557051549 /nfs/dbraw/zinc/05/15/49/557051549.db2.gz CDALRVMOCDTARE-UHFFFAOYSA-N 0 0 449.845 3.638 50 0 IHAARN C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@H](C)O1 ZINC000048252543 557052230 /nfs/dbraw/zinc/05/22/30/557052230.db2.gz AOFZPKMJWZSDCW-OALUTQOASA-N 0 0 434.544 3.604 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@@H](C)O1 ZINC000048252545 557052244 /nfs/dbraw/zinc/05/22/44/557052244.db2.gz AOFZPKMJWZSDCW-RTBURBONSA-N 0 0 434.544 3.604 50 0 IHAARN COc1ccc(O[C@H](C)C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022983094 557055785 /nfs/dbraw/zinc/05/57/85/557055785.db2.gz VQXSMKZFTXUMFY-GOSISDBHSA-N 0 0 437.565 3.930 50 0 IHAARN O=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000048276869 557056669 /nfs/dbraw/zinc/05/66/69/557056669.db2.gz BBYMIVJYZKVCCP-RUZDIDTESA-N 0 0 442.003 3.686 50 0 IHAARN Cc1sc(=O)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1-c1ccc(F)cc1 ZINC000048276917 557056696 /nfs/dbraw/zinc/05/66/96/557056696.db2.gz MLWZQMRGHIIWAP-HXUWFJFHSA-N 0 0 425.529 3.540 50 0 IHAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2C1 ZINC000017316616 557057210 /nfs/dbraw/zinc/05/72/10/557057210.db2.gz ZWGOJJADKRFZLK-UHFFFAOYSA-N 0 0 443.352 3.719 50 0 IHAARN COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)NC(C)C)cc2)n1 ZINC000033277914 557059823 /nfs/dbraw/zinc/05/98/23/557059823.db2.gz RZBBVEKHZSOPHC-UHFFFAOYSA-N 0 0 437.500 3.590 50 0 IHAARN CCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3ccccc3OC)no2)cc1 ZINC000033277915 557059874 /nfs/dbraw/zinc/05/98/74/557059874.db2.gz DQWYPHPMOJGRGK-UHFFFAOYSA-N 0 0 437.500 3.591 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000023055103 557060416 /nfs/dbraw/zinc/06/04/16/557060416.db2.gz YCQIAZSLDJRWCJ-UHFFFAOYSA-N 0 0 434.558 3.738 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000023074459 557061498 /nfs/dbraw/zinc/06/14/98/557061498.db2.gz SGBRUXXJBATYAB-UHFFFAOYSA-N 0 0 442.317 3.970 50 0 IHAARN CCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287556 557064957 /nfs/dbraw/zinc/06/49/57/557064957.db2.gz HXNKWSATFCZFNK-HNNXBMFYSA-N 0 0 442.585 3.800 50 0 IHAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C[C@H](C)O1 ZINC000048324515 557065372 /nfs/dbraw/zinc/06/53/72/557065372.db2.gz SLRWYSOQLIGTMR-JQVVWYNYSA-N 0 0 436.556 3.785 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1C ZINC000048324524 557065383 /nfs/dbraw/zinc/06/53/83/557065383.db2.gz RWAACPYSNAAWFZ-ROUUACIJSA-N 0 0 425.495 3.755 50 0 IHAARN O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000023126438 557065440 /nfs/dbraw/zinc/06/54/40/557065440.db2.gz XGRDBWSURAVSEW-UHFFFAOYSA-N 0 0 448.523 3.613 50 0 IHAARN Cc1ccccc1Sc1nccnc1SCC(=O)N1CCN(c2ccccn2)CC1 ZINC000033288977 557066392 /nfs/dbraw/zinc/06/63/92/557066392.db2.gz TZRDQXMSNLLYBM-UHFFFAOYSA-N 0 0 437.594 3.772 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccccc2F)c1N ZINC000033291699 557069744 /nfs/dbraw/zinc/06/97/44/557069744.db2.gz RXDZVCCPBQABOP-UHFFFAOYSA-N 0 0 426.839 3.917 50 0 IHAARN Cc1cc(C)n(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)c2)n1 ZINC000048332228 557069790 /nfs/dbraw/zinc/06/97/90/557069790.db2.gz CDXAZFRDXDYQNZ-UHFFFAOYSA-N 0 0 438.553 3.529 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3F)c2N)c(C)o1 ZINC000033291689 557069786 /nfs/dbraw/zinc/06/97/86/557069786.db2.gz JSJYMTJIROYHGT-UHFFFAOYSA-N 0 0 436.447 3.662 50 0 IHAARN CC(C)(C)c1nc(CS(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)no1 ZINC000048354473 557072656 /nfs/dbraw/zinc/07/26/56/557072656.db2.gz LVWDPZXSMZEGNT-UHFFFAOYSA-N 0 0 425.507 3.657 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4cccnc4)no3)c2C)c(C)o1 ZINC000033296959 557072799 /nfs/dbraw/zinc/07/27/99/557072799.db2.gz TZFQFPNYGCUVCG-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN CC(C)N1C(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCCCC3)cc2S1(=O)=O ZINC000048361492 557073171 /nfs/dbraw/zinc/07/31/71/557073171.db2.gz ZXAKCCYTRDGGGT-UHFFFAOYSA-N 0 0 440.565 3.871 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c(OC)c1 ZINC000033293109 557075952 /nfs/dbraw/zinc/07/59/52/557075952.db2.gz RPDNINAVOSFJJX-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1CO)O[C@H](C)C2 ZINC000010900590 557077234 /nfs/dbraw/zinc/07/72/34/557077234.db2.gz KONUEMGKZMQRQS-GFCCVEGCSA-N 0 0 436.302 3.681 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)NC3CCCCC3)c2n1 ZINC000049002154 557080787 /nfs/dbraw/zinc/08/07/87/557080787.db2.gz LFMKVWILAMNZRK-UHFFFAOYSA-N 0 0 436.487 3.545 50 0 IHAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)c1 ZINC000011293282 557080930 /nfs/dbraw/zinc/08/09/30/557080930.db2.gz KTFOZYWHKYYNAP-UHFFFAOYSA-N 0 0 448.500 3.783 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)c(F)c3)c2n1 ZINC000049002015 557081436 /nfs/dbraw/zinc/08/14/36/557081436.db2.gz TUWNEHSWFINMDF-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN COc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 ZINC000048985859 557081978 /nfs/dbraw/zinc/08/19/78/557081978.db2.gz PVAWGVUEPKOEQC-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000048986590 557082255 /nfs/dbraw/zinc/08/22/55/557082255.db2.gz IWNURAQGHNERBL-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000023294557 557082839 /nfs/dbraw/zinc/08/28/39/557082839.db2.gz HFCUKWCCINMHGD-UHFFFAOYSA-N 0 0 437.512 3.848 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3C)c2c1=O ZINC000048988058 557082879 /nfs/dbraw/zinc/08/28/79/557082879.db2.gz NINKVPXEXVDQBS-UHFFFAOYSA-N 0 0 430.508 3.767 50 0 IHAARN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023315430 557083755 /nfs/dbraw/zinc/08/37/55/557083755.db2.gz MRAWUGNWSIDRGK-LJQANCHMSA-N 0 0 442.943 3.630 50 0 IHAARN O=C(NC1CCCC1)[C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)C1 ZINC000033302631 557083968 /nfs/dbraw/zinc/08/39/68/557083968.db2.gz UVYBIGYMFSESMI-SFHVURJKSA-N 0 0 436.581 3.782 50 0 IHAARN COc1ccc(-c2noc(-c3nn(-c4cccc(Br)c4)ccc3=O)n2)cc1 ZINC000049006407 557085075 /nfs/dbraw/zinc/08/50/75/557085075.db2.gz QEKPYTQUIDKYGH-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1cccc(Br)c1 ZINC000049007878 557086005 /nfs/dbraw/zinc/08/60/05/557086005.db2.gz VGBKXOMOMPLWQF-UHFFFAOYSA-N 0 0 431.315 3.856 50 0 IHAARN CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000049007887 557086008 /nfs/dbraw/zinc/08/60/08/557086008.db2.gz YOBSKDZUTSOIFE-UHFFFAOYSA-N 0 0 435.553 3.824 50 0 IHAARN O=C(Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000049009146 557087265 /nfs/dbraw/zinc/08/72/65/557087265.db2.gz URUNRBHEVKNYGV-UHFFFAOYSA-N 0 0 447.854 3.613 50 0 IHAARN O=c1[n-]c(N2CC[NH+](Cc3ccccc3)CC2)nnc1Cc1ccc(Cl)c(Cl)c1 ZINC000023409455 557091040 /nfs/dbraw/zinc/09/10/40/557091040.db2.gz OZUIVGZYMUAUCJ-UHFFFAOYSA-N 0 0 430.339 3.797 50 0 IHAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1cccc(Cl)c1)C3 ZINC000049003210 557091147 /nfs/dbraw/zinc/09/11/47/557091147.db2.gz DGTDSFMYQWNBFS-UHFFFAOYSA-N 0 0 446.334 3.930 50 0 IHAARN COc1ccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2cccnc2)cc1 ZINC000049003573 557091444 /nfs/dbraw/zinc/09/14/44/557091444.db2.gz FHYORBSIZAHHGN-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN Cc1csc2nc(CSCC(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)n12 ZINC000023415286 557091673 /nfs/dbraw/zinc/09/16/73/557091673.db2.gz SNPACUCZCFZVBD-UHFFFAOYSA-N 0 0 427.595 3.779 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(OC)c4)c3N)c(C)o2)cc1 ZINC000049004396 557092547 /nfs/dbraw/zinc/09/25/47/557092547.db2.gz MLVNGDSWQANPEZ-UHFFFAOYSA-N 0 0 448.483 3.532 50 0 IHAARN Cc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1F ZINC000033309879 557092578 /nfs/dbraw/zinc/09/25/78/557092578.db2.gz TVYIJYTUCQTIFB-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCc3nc(-c4cc(OC)cc(OC)c4)no3)n2)cc1 ZINC000033309829 557092614 /nfs/dbraw/zinc/09/26/14/557092614.db2.gz UZAKIIIFUIPBAW-UHFFFAOYSA-N 0 0 448.479 3.619 50 0 IHAARN COc1ccc(Cc2nnc(C3CCN(CC(=O)Nc4nc(C)cs4)CC3)s2)cc1 ZINC000049367145 557094680 /nfs/dbraw/zinc/09/46/80/557094680.db2.gz YRGCQGACFGJLNM-UHFFFAOYSA-N 0 0 443.598 3.721 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2c(C)sc3ncnc(N4CCCCC4)c32)c1 ZINC000033312601 557096053 /nfs/dbraw/zinc/09/60/53/557096053.db2.gz DSLBGUSJRKGJAY-UHFFFAOYSA-N 0 0 426.542 3.937 50 0 IHAARN O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000023541741 557097177 /nfs/dbraw/zinc/09/71/77/557097177.db2.gz CLDPVXORLXZVNF-XMMPIXPASA-N 0 0 443.503 3.555 50 0 IHAARN C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000010914466 557098416 /nfs/dbraw/zinc/09/84/16/557098416.db2.gz NLABTBNPRQSKDG-NWDGAFQWSA-N 0 0 448.306 3.582 50 0 IHAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023561519 557098663 /nfs/dbraw/zinc/09/86/63/557098663.db2.gz DAYHRGXUJFRCAQ-DEOSSOPVSA-N 0 0 434.515 3.692 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)NCc4ccccc4Cl)CC3)n2)cc1 ZINC000049403594 557099185 /nfs/dbraw/zinc/09/91/85/557099185.db2.gz GURLWUQAGICJFN-UHFFFAOYSA-N 0 0 440.931 3.894 50 0 IHAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)nn2)c1 ZINC000049406421 557101553 /nfs/dbraw/zinc/10/15/53/557101553.db2.gz QPHYBMVFLGWWBV-UHFFFAOYSA-N 0 0 431.540 3.536 50 0 IHAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)CC1 ZINC000085423434 557101973 /nfs/dbraw/zinc/10/19/73/557101973.db2.gz RINXYOMHTJVOCR-UHFFFAOYSA-N 0 0 433.370 3.688 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)[nH]n2)cc1 ZINC000049406772 557102165 /nfs/dbraw/zinc/10/21/65/557102165.db2.gz RKJBXXQKCWEJCT-UHFFFAOYSA-N 0 0 438.915 3.773 50 0 IHAARN COc1ccc(-c2nc(C)cc3nn(CC(=O)Nc4cccc(C(C)C)c4)c(=O)n32)cc1 ZINC000049407076 557102538 /nfs/dbraw/zinc/10/25/38/557102538.db2.gz RMQLYYTXJGMVQJ-UHFFFAOYSA-N 0 0 431.496 3.637 50 0 IHAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408311 557103187 /nfs/dbraw/zinc/10/31/87/557103187.db2.gz RUKVPPVBYLYNJH-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)n3)cc2)no1 ZINC000049408744 557103649 /nfs/dbraw/zinc/10/36/49/557103649.db2.gz PSUUEWWJVPVNAZ-UHFFFAOYSA-N 0 0 446.486 3.586 50 0 IHAARN Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)c1 ZINC000049409638 557104705 /nfs/dbraw/zinc/10/47/05/557104705.db2.gz LRWNYLYEIWFFIR-HXUWFJFHSA-N 0 0 432.572 3.999 50 0 IHAARN CCCCc1c(C)n(CC(=O)Nc2cccc(F)c2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324720 557106645 /nfs/dbraw/zinc/10/66/45/557106645.db2.gz GLUIBVVMJNBGPF-UHFFFAOYSA-N 0 0 433.487 3.987 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3cccc(C)c3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411467 557106641 /nfs/dbraw/zinc/10/66/41/557106641.db2.gz ZKUFYHAFNRKZCK-UHFFFAOYSA-N 0 0 436.537 3.745 50 0 IHAARN COc1ccc(-c2nc3nc(C)c(CC(=O)N4CCc5ccccc5C4)c(C)n3n2)cc1 ZINC000086069709 557108115 /nfs/dbraw/zinc/10/81/15/557108115.db2.gz CROAYUOFZYQTEZ-UHFFFAOYSA-N 0 0 427.508 3.544 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)cc1 ZINC000010921634 557109290 /nfs/dbraw/zinc/10/92/90/557109290.db2.gz FTKTZSHXTZPOLJ-UHFFFAOYSA-N 0 0 438.340 3.629 50 0 IHAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)NCCc1ccccc1 ZINC000033328889 557112630 /nfs/dbraw/zinc/11/26/30/557112630.db2.gz KJNSNPQVSJWAHH-UHFFFAOYSA-N 0 0 429.505 3.989 50 0 IHAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)c(F)c1 ZINC000049550859 557113264 /nfs/dbraw/zinc/11/32/64/557113264.db2.gz MAGFINKKMLTNKY-UHFFFAOYSA-N 0 0 443.504 3.596 50 0 IHAARN COc1cc(NC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)cc(OC)c1OC ZINC000049551211 557113564 /nfs/dbraw/zinc/11/35/64/557113564.db2.gz GWJJXHAFPFOCMB-UHFFFAOYSA-N 0 0 445.475 3.728 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000023844590 557119923 /nfs/dbraw/zinc/11/99/23/557119923.db2.gz PHFGBCNCAHJPTB-UHFFFAOYSA-N 0 0 433.917 3.761 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)c(C)c1 ZINC000023865202 557121322 /nfs/dbraw/zinc/12/13/22/557121322.db2.gz JXPDOSMMTVPRIG-UHFFFAOYSA-N 0 0 440.565 3.533 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791566 557124498 /nfs/dbraw/zinc/12/44/98/557124498.db2.gz WIPDFDVNHWKIJS-UHFFFAOYSA-N 0 0 433.895 3.516 50 0 IHAARN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000014707741 557124507 /nfs/dbraw/zinc/12/45/07/557124507.db2.gz QYOXRZSJDWKBJM-UHFFFAOYSA-N 0 0 433.961 3.795 50 0 IHAARN O=C1COc2cc(S(=O)(=O)N[C@@H](c3cccs3)c3ccccc3)c(Cl)cc2N1 ZINC000043774519 557124836 /nfs/dbraw/zinc/12/48/36/557124836.db2.gz SXDJUUKXJZGXEZ-LJQANCHMSA-N 0 0 434.926 3.800 50 0 IHAARN CCOC(=O)CN(C(=O)COC(=O)c1sc(-c2cccs2)nc1C)c1ccccc1 ZINC000017831199 557124915 /nfs/dbraw/zinc/12/49/15/557124915.db2.gz RKARFPWLHMJDJF-UHFFFAOYSA-N 0 0 444.534 3.933 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)CC2 ZINC000023983171 557129650 /nfs/dbraw/zinc/12/96/50/557129650.db2.gz XDGJSCHAHJVNDD-RUZDIDTESA-N 0 0 427.508 3.827 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000017957809 557130634 /nfs/dbraw/zinc/13/06/34/557130634.db2.gz XSYQEAIKSIJWCE-UHFFFAOYSA-N 0 0 447.329 3.622 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2C1=O ZINC000024003653 557131508 /nfs/dbraw/zinc/13/15/08/557131508.db2.gz JRUAYVJDTCEADW-UHFFFAOYSA-N 0 0 435.307 3.898 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)CC2)cc1 ZINC000024032406 557132695 /nfs/dbraw/zinc/13/26/95/557132695.db2.gz YIHFTHACULLCKU-UHFFFAOYSA-N 0 0 426.517 3.641 50 0 IHAARN O=C(CSc1ncnc2sccc21)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024757237 557134363 /nfs/dbraw/zinc/13/43/63/557134363.db2.gz CKXRZTLVHHDSRC-UHFFFAOYSA-N 0 0 440.531 3.749 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000024758552 557134979 /nfs/dbraw/zinc/13/49/79/557134979.db2.gz VZAQVBNZJJMSIG-UHFFFAOYSA-N 0 0 428.510 3.910 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000024094482 557136743 /nfs/dbraw/zinc/13/67/43/557136743.db2.gz BUQAVIYEEWFPBC-QGZVFWFLSA-N 0 0 437.521 3.934 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccc(OC(F)F)c(OC)c1 ZINC000000707418 557140343 /nfs/dbraw/zinc/14/03/43/557140343.db2.gz BZHVDOVKFPHFTE-SFHVURJKSA-N 0 0 432.423 3.967 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024193343 557140446 /nfs/dbraw/zinc/14/04/46/557140446.db2.gz OVXPKIMKQRZXQO-UHFFFAOYSA-N 0 0 435.471 3.760 50 0 IHAARN COc1ccc(-c2cc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000024204493 557140733 /nfs/dbraw/zinc/14/07/33/557140733.db2.gz TZBNMFVVWGZOKM-PXNSSMCTSA-N 0 0 440.569 3.516 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000024226374 557141713 /nfs/dbraw/zinc/14/17/13/557141713.db2.gz LBVVVUSVZQZXSG-QHCPKHFHSA-N 0 0 442.519 3.524 50 0 IHAARN Cc1csc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 ZINC000024291418 557143380 /nfs/dbraw/zinc/14/33/80/557143380.db2.gz RIFLHUIQQSMWNQ-UHFFFAOYSA-N 0 0 436.912 3.960 50 0 IHAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000011421188 557145734 /nfs/dbraw/zinc/14/57/34/557145734.db2.gz KGJGXAZJLKZYBH-SFHVURJKSA-N 0 0 440.515 3.849 50 0 IHAARN CC(C)(C)c1ccc(CCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000011451275 557150064 /nfs/dbraw/zinc/15/00/64/557150064.db2.gz FSGGMZVWTYSMIT-UHFFFAOYSA-N 0 0 434.627 3.948 50 0 IHAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451179 557150184 /nfs/dbraw/zinc/15/01/84/557150184.db2.gz AHQUVKOXAFJHDR-UHFFFAOYSA-N 0 0 434.514 3.730 50 0 IHAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000585148194 557151205 /nfs/dbraw/zinc/15/12/05/557151205.db2.gz YRPYXFMNFKSMHG-KRWDZBQOSA-N 0 0 434.370 3.634 50 0 IHAARN COc1ccc(F)cc1CN1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000024573797 557151480 /nfs/dbraw/zinc/15/14/80/557151480.db2.gz FZSIGKTYPWBELI-UHFFFAOYSA-N 0 0 425.426 3.881 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247554673 557153336 /nfs/dbraw/zinc/15/33/36/557153336.db2.gz WZUOKAMVLLRRDP-BFYDXBDKSA-N 0 0 443.396 3.907 50 0 IHAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000028010758 557153515 /nfs/dbraw/zinc/15/35/15/557153515.db2.gz SEKOIPITSNZZIA-UHFFFAOYSA-N 0 0 425.448 3.607 50 0 IHAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCO[C@@H](C)C1 ZINC000011497293 557153727 /nfs/dbraw/zinc/15/37/27/557153727.db2.gz AORWVYUTWCGTFF-KBPBESRZSA-N 0 0 429.567 3.521 50 0 IHAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608617 557153898 /nfs/dbraw/zinc/15/38/98/557153898.db2.gz UGAWWXWCUILOQI-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 ZINC000024611893 557155166 /nfs/dbraw/zinc/15/51/66/557155166.db2.gz TWXZFAGXVFGPEZ-HXUWFJFHSA-N 0 0 428.598 3.674 50 0 IHAARN COc1ccccc1N(CCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(C)cc1 ZINC000011544255 557162602 /nfs/dbraw/zinc/16/26/02/557162602.db2.gz DGIPXUDVEMFTHX-UHFFFAOYSA-N 0 0 431.539 3.684 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]n1 ZINC000206789268 557163543 /nfs/dbraw/zinc/16/35/43/557163543.db2.gz RDGQBTGJGZGRAU-AWEZNQCLSA-N 0 0 431.418 3.508 50 0 IHAARN Cc1ccc(-c2ccsc2C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000024760497 557164348 /nfs/dbraw/zinc/16/43/48/557164348.db2.gz NKXYJCIMPKTVEP-UHFFFAOYSA-N 0 0 444.560 3.689 50 0 IHAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 ZINC000206802168 557165033 /nfs/dbraw/zinc/16/50/33/557165033.db2.gz AWMDUYGDMAUUFU-CZUORRHYSA-N 0 0 446.525 3.749 50 0 IHAARN O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)NCc1cccc(Cl)c1 ZINC000024770523 557165597 /nfs/dbraw/zinc/16/55/97/557165597.db2.gz ITNSQXHXEFTYQM-UHFFFAOYSA-N 0 0 442.972 3.524 50 0 IHAARN CS(=O)(=O)N1CCCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000024779607 557167367 /nfs/dbraw/zinc/16/73/67/557167367.db2.gz OPSMPMNGSBGSJI-UHFFFAOYSA-N 0 0 442.459 3.605 50 0 IHAARN CC1(C)Cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C(=O)C1 ZINC000000751863 557168254 /nfs/dbraw/zinc/16/82/54/557168254.db2.gz MHNNZXBWSBVAFC-UHFFFAOYSA-N 0 0 447.582 3.725 50 0 IHAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000024820499 557169143 /nfs/dbraw/zinc/16/91/43/557169143.db2.gz GDOVKFUOYPLAOH-MRXNPFEDSA-N 0 0 426.904 3.674 50 0 IHAARN CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000024838249 557172656 /nfs/dbraw/zinc/17/26/56/557172656.db2.gz HMMFKMPEEHPLQW-UHFFFAOYSA-N 0 0 441.347 3.613 50 0 IHAARN CCCN(CC(=O)Nc1ccc(Br)c(C)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000024843300 557173898 /nfs/dbraw/zinc/17/38/98/557173898.db2.gz SCPNFHKRQQAALB-UHFFFAOYSA-N 0 0 449.374 3.906 50 0 IHAARN O=C(c1cccs1)N1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000024865890 557175238 /nfs/dbraw/zinc/17/52/38/557175238.db2.gz VNXOLAHJWBMXGJ-IBGZPJMESA-N 0 0 438.549 3.738 50 0 IHAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2NS(C)(=O)=O)cs1 ZINC000024895285 557177360 /nfs/dbraw/zinc/17/73/60/557177360.db2.gz YNEKDDPCRWKYFG-UHFFFAOYSA-N 0 0 431.539 3.762 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000024928364 557180538 /nfs/dbraw/zinc/18/05/38/557180538.db2.gz SYRSRFSMSANKPI-DHIUTWEWSA-N 0 0 449.482 3.724 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccc(C)cc2)CC1 ZINC000024969385 557183362 /nfs/dbraw/zinc/18/33/62/557183362.db2.gz RJAPUUKGDBCFPK-QFIPXVFZSA-N 0 0 429.948 3.509 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(OC(F)F)c(OC)c2)OC1=O ZINC000097987606 557183880 /nfs/dbraw/zinc/18/38/80/557183880.db2.gz LZPPQTBOFCTWSE-NTUHNPAUSA-N 0 0 435.379 3.667 50 0 IHAARN COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)C ZINC000097987562 557183965 /nfs/dbraw/zinc/18/39/65/557183965.db2.gz XYNPYMCMQINETF-CXUHLZMHSA-N 0 0 427.453 3.853 50 0 IHAARN CCNC(=O)COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC ZINC000097987497 557183976 /nfs/dbraw/zinc/18/39/76/557183976.db2.gz QYCMEVVNEYUTLB-CPNJWEJPSA-N 0 0 436.508 3.852 50 0 IHAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3SC)n2C)cc1 ZINC000009263543 557184949 /nfs/dbraw/zinc/18/49/49/557184949.db2.gz FAAUTXKDWBSPSQ-UHFFFAOYSA-N 0 0 430.555 3.855 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009302822 557185737 /nfs/dbraw/zinc/18/57/37/557185737.db2.gz RITUSASXRJGZLL-ZDUSSCGKSA-N 0 0 433.559 3.770 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(CCC(=O)Nc3ccc(F)cc3)n2C)cc1 ZINC000009327595 557186629 /nfs/dbraw/zinc/18/66/29/557186629.db2.gz DCNQKODZYWGCRI-UHFFFAOYSA-N 0 0 428.489 3.509 50 0 IHAARN COc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009329041 557187285 /nfs/dbraw/zinc/18/72/85/557187285.db2.gz ZTHSHFICDAXWTQ-CYBMUJFWSA-N 0 0 433.559 3.595 50 0 IHAARN COc1cccc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC ZINC000024991684 557187665 /nfs/dbraw/zinc/18/76/65/557187665.db2.gz ZTRZKGFEVDAYHH-INIZCTEOSA-N 0 0 433.526 3.624 50 0 IHAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100837245 557190945 /nfs/dbraw/zinc/19/09/45/557190945.db2.gz QHAVDMJGMXDOPO-XDOYNYLZSA-N 0 0 449.985 3.809 50 0 IHAARN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000025051446 557191448 /nfs/dbraw/zinc/19/14/48/557191448.db2.gz DSTWOEWXHPVHFZ-UHFFFAOYSA-N 0 0 446.422 3.804 50 0 IHAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](c3nccn3C)c3cccc(F)c3)c12 ZINC000025053381 557191778 /nfs/dbraw/zinc/19/17/78/557191778.db2.gz WPGFNPZBIZVITP-OAQYLSRUSA-N 0 0 444.470 3.929 50 0 IHAARN CCCCc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000025059231 557192840 /nfs/dbraw/zinc/19/28/40/557192840.db2.gz XIRPYLUASJBCNR-FQEVSTJZSA-N 0 0 427.932 3.885 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cs2)cc1OC ZINC000025091746 557195264 /nfs/dbraw/zinc/19/52/64/557195264.db2.gz RTGSHOBHFZMLOC-UHFFFAOYSA-N 0 0 447.520 3.867 50 0 IHAARN COCCN(CCOC)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S ZINC000025158950 557197568 /nfs/dbraw/zinc/19/75/68/557197568.db2.gz CHPKIWUXULCPQT-UHFFFAOYSA-N 0 0 434.512 3.901 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccccc2F)CC1 ZINC000096317054 557198798 /nfs/dbraw/zinc/19/87/98/557198798.db2.gz BGPGWPJNSICUPO-UHFFFAOYSA-N 0 0 434.581 3.500 50 0 IHAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCCN1CCOCC1 ZINC000025357886 557205809 /nfs/dbraw/zinc/20/58/09/557205809.db2.gz YQFNBSXXNRBVMP-RUZDIDTESA-N 0 0 448.592 3.836 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)s1 ZINC000025364488 557205900 /nfs/dbraw/zinc/20/59/00/557205900.db2.gz CGGGRVFARWPBCA-HNNXBMFYSA-N 0 0 432.489 3.545 50 0 IHAARN COc1cc(/C=C\C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc(OC)c1 ZINC000096997715 557207651 /nfs/dbraw/zinc/20/76/51/557207651.db2.gz SNTGPMAKRZSLLH-FPLPWBNLSA-N 0 0 434.536 3.541 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C ZINC000011603292 557207662 /nfs/dbraw/zinc/20/76/62/557207662.db2.gz RMKFWRRICSBXFG-VQIMIIECSA-N 0 0 433.961 3.571 50 0 IHAARN COc1cccc2c1N(C(=O)CCc1nc(C3(NC(C)=O)CCCCCC3)no1)CCC2 ZINC000069946368 557210071 /nfs/dbraw/zinc/21/00/71/557210071.db2.gz LCWLSYPHNZBGKW-UHFFFAOYSA-N 0 0 440.544 3.676 50 0 IHAARN CCOC(=O)c1ccccc1O[C@@H](CC)C(=O)NCC(=O)c1ccc(OC)c(Cl)c1 ZINC000011615316 557211573 /nfs/dbraw/zinc/21/15/73/557211573.db2.gz JZPZVHZOJWQTCR-SFHVURJKSA-N 0 0 433.888 3.682 50 0 IHAARN COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)cc(OC)c1OC ZINC000169766310 557211815 /nfs/dbraw/zinc/21/18/15/557211815.db2.gz HITUXCHLXNNFOF-OAQYLSRUSA-N 0 0 439.512 3.757 50 0 IHAARN O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000025484377 557212148 /nfs/dbraw/zinc/21/21/48/557212148.db2.gz WWCNWBSNKPDKEK-HNNXBMFYSA-N 0 0 434.477 3.511 50 0 IHAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000011617428 557213383 /nfs/dbraw/zinc/21/33/83/557213383.db2.gz FNQBYDPDNJAMAS-UHFFFAOYSA-N 0 0 430.283 3.965 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000025572136 557215030 /nfs/dbraw/zinc/21/50/30/557215030.db2.gz KUDJXJBVYJFIEW-UHFFFAOYSA-N 0 0 441.578 3.519 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cnc21 ZINC000025577451 557215734 /nfs/dbraw/zinc/21/57/34/557215734.db2.gz WBCABYXJCQDEJB-UHFFFAOYSA-N 0 0 427.921 3.977 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC ZINC000025613020 557219336 /nfs/dbraw/zinc/21/93/36/557219336.db2.gz MOBHPEFRXINQAI-ZWKOTPCHSA-N 0 0 431.920 3.820 50 0 IHAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000802760 557220554 /nfs/dbraw/zinc/22/05/54/557220554.db2.gz QRERJGJAISYEIG-UHFFFAOYSA-N 0 0 425.444 3.962 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000010998527 557221615 /nfs/dbraw/zinc/22/16/15/557221615.db2.gz CSGFIEDBBNBKSZ-UHFFFAOYSA-N 0 0 436.577 3.963 50 0 IHAARN CCc1nn2c(nc(CNc3ccccc3C(=O)N[C@H](C)c3ccccc3)cc2=O)s1 ZINC000025716476 557223330 /nfs/dbraw/zinc/22/33/30/557223330.db2.gz VRFBJYFITVODDZ-OAHLLOKOSA-N 0 0 433.537 3.817 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn32)c1 ZINC000025739315 557223889 /nfs/dbraw/zinc/22/38/89/557223889.db2.gz MUWIOILLWYOCEU-UHFFFAOYSA-N 0 0 426.523 3.565 50 0 IHAARN O=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025777603 557225504 /nfs/dbraw/zinc/22/55/04/557225504.db2.gz IDQGRYVWDHOUTK-UHFFFAOYSA-N 0 0 430.504 3.806 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101075344 557225563 /nfs/dbraw/zinc/22/55/63/557225563.db2.gz VARQVJBNNLKMKN-ZRBLBEILSA-N 0 0 448.450 3.894 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(NC(N)=O)cc3)c2)cc1F ZINC000025885005 557229129 /nfs/dbraw/zinc/22/91/29/557229129.db2.gz IIDFCXFYMSXAFW-UHFFFAOYSA-N 0 0 442.472 3.678 50 0 IHAARN CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(-c2noc(C)n2)cc1 ZINC000025874969 557229161 /nfs/dbraw/zinc/22/91/61/557229161.db2.gz DGTCGANNGXTODG-UHFFFAOYSA-N 0 0 439.287 3.974 50 0 IHAARN COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000072303540 557229651 /nfs/dbraw/zinc/22/96/51/557229651.db2.gz OMIYCFHPFMGADQ-JXFKEZNVSA-N 0 0 436.512 3.685 50 0 IHAARN COc1cccc(-c2noc([C@H](C)NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)n2)c1 ZINC000072303550 557229656 /nfs/dbraw/zinc/22/96/56/557229656.db2.gz NWLIUTXBBNWOPH-HNNXBMFYSA-N 0 0 433.468 3.914 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000026018568 557232280 /nfs/dbraw/zinc/23/22/80/557232280.db2.gz FPJCUIGHUOIEKV-INIZCTEOSA-N 0 0 435.505 3.599 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000011694051 557232830 /nfs/dbraw/zinc/23/28/30/557232830.db2.gz BKRPGAJBLPXCOQ-UHFFFAOYSA-N 0 0 449.404 3.571 50 0 IHAARN COc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000098211287 557234446 /nfs/dbraw/zinc/23/44/46/557234446.db2.gz KFNYGYOAKJUSEN-UHFFFAOYSA-N 0 0 434.452 3.870 50 0 IHAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)c1 ZINC000098211465 557234871 /nfs/dbraw/zinc/23/48/71/557234871.db2.gz WHDHCQCJLZRBCD-UHFFFAOYSA-N 0 0 436.443 3.678 50 0 IHAARN COc1cc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc(OC)c1OC ZINC000098212578 557235760 /nfs/dbraw/zinc/23/57/60/557235760.db2.gz BOFOZHLXZCAFSJ-UHFFFAOYSA-N 0 0 436.512 3.501 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(OC)c(OC)c4)CC3)n[nH]2)cc1 ZINC000098212757 557235763 /nfs/dbraw/zinc/23/57/63/557235763.db2.gz OBYBZJXXHZKTCV-UHFFFAOYSA-N 0 0 436.512 3.501 50 0 IHAARN COc1ccc(OC)c2c1CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)C[C@@H]2O ZINC000026157755 557236429 /nfs/dbraw/zinc/23/64/29/557236429.db2.gz FRAUOEFKBBCGIT-KRWDZBQOSA-N 0 0 449.532 3.718 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCOc1ccc(Br)cc1 ZINC000018100046 557236954 /nfs/dbraw/zinc/23/69/54/557236954.db2.gz ODDHNXGFDHSIOT-UHFFFAOYSA-N 0 0 430.302 3.503 50 0 IHAARN O=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000303544923 557238426 /nfs/dbraw/zinc/23/84/26/557238426.db2.gz KQKFDYPGDRPOBU-UHFFFAOYSA-N 0 0 447.866 3.793 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCCCc1nc(-c2cccnc2)no1 ZINC000011005870 557241004 /nfs/dbraw/zinc/24/10/04/557241004.db2.gz OBHHWCDFBOOFMW-HNNXBMFYSA-N 0 0 437.525 3.774 50 0 IHAARN O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000583652554 557242073 /nfs/dbraw/zinc/24/20/73/557242073.db2.gz NZVVXFRFHDPDKZ-MRXNPFEDSA-N 0 0 437.500 3.897 50 0 IHAARN CSc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000026533764 557243565 /nfs/dbraw/zinc/24/35/65/557243565.db2.gz MIXYMWXJLLYWPB-XNTDXEJSSA-N 0 0 430.352 3.850 50 0 IHAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000018155815 557244328 /nfs/dbraw/zinc/24/43/28/557244328.db2.gz OUESEILRLWGSED-UHFFFAOYSA-N 0 0 426.476 3.994 50 0 IHAARN CN1c2ccc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)cc2N(C)S1(=O)=O ZINC000390828377 557244861 /nfs/dbraw/zinc/24/48/61/557244861.db2.gz QVJDROJFJVLWBU-UHFFFAOYSA-N 0 0 434.477 3.878 50 0 IHAARN Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccccc4Br)s3)nc2n1 ZINC000026620926 557245837 /nfs/dbraw/zinc/24/58/37/557245837.db2.gz RHSYXQKBCNVKBU-UHFFFAOYSA-N 0 0 443.330 3.803 50 0 IHAARN C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 ZINC000026691538 557246800 /nfs/dbraw/zinc/24/68/00/557246800.db2.gz GUUMZHTZBKRLSD-KXBFYZLASA-N 0 0 435.343 3.779 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000026940274 557252113 /nfs/dbraw/zinc/25/21/13/557252113.db2.gz MGMCLDKEOGZFSP-JOCHJYFZSA-N 0 0 443.546 3.589 50 0 IHAARN CCCCCn1c(CCC(=O)N[C@H]2CCCC[C@@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000026978679 557253287 /nfs/dbraw/zinc/25/32/87/557253287.db2.gz UTEGXHZKUTWGQM-ROUUACIJSA-N 0 0 445.608 3.504 50 0 IHAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000026990899 557253550 /nfs/dbraw/zinc/25/35/50/557253550.db2.gz OMWCATZHTFSCFD-UHFFFAOYSA-N 0 0 435.505 3.632 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)cc1 ZINC000026986687 557253668 /nfs/dbraw/zinc/25/36/68/557253668.db2.gz ZROQOLYFDLNUDB-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)S1(=O)=O ZINC000390831144 557254100 /nfs/dbraw/zinc/25/41/00/557254100.db2.gz PXNLFJQYBJHYRQ-UHFFFAOYSA-N 0 0 440.352 3.799 50 0 IHAARN COc1ccc(Cn2c(=O)nc3ccccc3c2NC(=O)Nc2c(F)cccc2F)cc1 ZINC000101113900 557256254 /nfs/dbraw/zinc/25/62/54/557256254.db2.gz BYKSSUNTFJKTPD-SGWCAAJKSA-N 0 0 436.418 3.798 50 0 IHAARN COCCn1c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000027073020 557256627 /nfs/dbraw/zinc/25/66/27/557256627.db2.gz YYHIBUDCTDDLOY-CYBMUJFWSA-N 0 0 444.944 3.802 50 0 IHAARN COc1ccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2ccc(F)cc2)cc1 ZINC000101114083 557256657 /nfs/dbraw/zinc/25/66/57/557256657.db2.gz UQRVQDMDOHYMCR-XAYXJRQQSA-N 0 0 432.455 3.853 50 0 IHAARN C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000027092972 557256864 /nfs/dbraw/zinc/25/68/64/557256864.db2.gz ZZTNUMNZZCFRCP-GFCCVEGCSA-N 0 0 440.352 3.765 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(Cl)cn2C)cc1S(=O)(=O)N1CCCCC1 ZINC000027105828 557256919 /nfs/dbraw/zinc/25/69/19/557256919.db2.gz KGCKUNMBFNFZFY-UHFFFAOYSA-N 0 0 425.938 3.504 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 ZINC000027131882 557257521 /nfs/dbraw/zinc/25/75/21/557257521.db2.gz WNYKIINVHBVBOS-QGZVFWFLSA-N 0 0 446.507 3.843 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 ZINC000027131876 557257569 /nfs/dbraw/zinc/25/75/69/557257569.db2.gz WNYKIINVHBVBOS-KRWDZBQOSA-N 0 0 446.507 3.843 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000027243152 557259247 /nfs/dbraw/zinc/25/92/47/557259247.db2.gz DCVGFIRNEIHSPF-FQEVSTJZSA-N 0 0 434.540 3.808 50 0 IHAARN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027301963 557259627 /nfs/dbraw/zinc/25/96/27/557259627.db2.gz GEOGMSHZSONSMG-NNFUDEMPSA-N 0 0 427.511 3.740 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101142231 557262033 /nfs/dbraw/zinc/26/20/33/557262033.db2.gz BOJUQTZEHLILDF-AEFFLSMTSA-N 0 0 446.290 3.599 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(=O)CC)C2=O)cc1 ZINC000100560723 557264581 /nfs/dbraw/zinc/26/45/81/557264581.db2.gz PZZOEURAEANBAW-QFIPXVFZSA-N 0 0 438.524 3.597 50 0 IHAARN O=C(CN1CCC(NC(=O)c2cccc3c4c([nH]c32)CCCC4)CC1)Nc1ccccc1 ZINC000027604255 557267266 /nfs/dbraw/zinc/26/72/66/557267266.db2.gz SPWDRJONWVIKBG-UHFFFAOYSA-N 0 0 430.552 3.880 50 0 IHAARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(Cl)cc1 ZINC000000825757 557268819 /nfs/dbraw/zinc/26/88/19/557268819.db2.gz OWEMRTXJXKWHGO-LIKPIUCQSA-N 0 0 428.875 3.877 50 0 IHAARN O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027663108 557269176 /nfs/dbraw/zinc/26/91/76/557269176.db2.gz GRLCKBYEOXONAW-UHFFFAOYSA-N 0 0 425.485 3.718 50 0 IHAARN CC(C)c1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 ZINC000027767116 557273563 /nfs/dbraw/zinc/27/35/63/557273563.db2.gz WTEDXNIOXRPPRX-LBPRGKRZSA-N 0 0 433.361 3.567 50 0 IHAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)NCc1ccc2c(c1)OCO2 ZINC000101354186 557275297 /nfs/dbraw/zinc/27/52/97/557275297.db2.gz STBKNLAXIPAMBV-UHFFFAOYSA-N 0 0 427.460 3.589 50 0 IHAARN Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)c1 ZINC000011665569 557284488 /nfs/dbraw/zinc/28/44/88/557284488.db2.gz PXGDTVYCNCQPFC-UHFFFAOYSA-N 0 0 442.504 3.963 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628864 557291645 /nfs/dbraw/zinc/29/16/45/557291645.db2.gz GUDBYCQZESQLJY-BGYRXZFFSA-N 0 0 426.538 3.779 50 0 IHAARN CCc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)cc1 ZINC000101624446 557292768 /nfs/dbraw/zinc/29/27/68/557292768.db2.gz UBZPFCYJSRETDY-UHFFFAOYSA-N 0 0 437.584 3.938 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101710696 557294164 /nfs/dbraw/zinc/29/41/64/557294164.db2.gz NRIWYGHUGYZFML-OAQYLSRUSA-N 0 0 441.553 3.846 50 0 IHAARN O=C1C[C@H](N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101932640 557306999 /nfs/dbraw/zinc/30/69/99/557306999.db2.gz LBNNWMALJNOMGV-PAKAJVGYSA-N 0 0 444.362 3.956 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@H]1c1ccco1 ZINC000102749277 557307039 /nfs/dbraw/zinc/30/70/39/557307039.db2.gz WFBKFQDOJWVENZ-IBGZPJMESA-N 0 0 427.482 3.717 50 0 IHAARN COc1cccc(CNC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c1OC ZINC000101945906 557308108 /nfs/dbraw/zinc/30/81/08/557308108.db2.gz YDOIRXRWIJYNCG-SFHVURJKSA-N 0 0 435.524 3.856 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@@H]1c1ccccc1C ZINC000102849601 557309176 /nfs/dbraw/zinc/30/91/76/557309176.db2.gz NOARLVLXIFUGJB-JOCHJYFZSA-N 0 0 448.548 3.844 50 0 IHAARN CC(C)c1ccccc1OC[C@@H](O)Cn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 ZINC000101980752 557309749 /nfs/dbraw/zinc/30/97/49/557309749.db2.gz JTRVEBPSCDDFAJ-FQEVSTJZSA-N 0 0 430.504 3.865 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)Nc3nc(C)c(-c4nccn4C(F)F)s3)CC2=O)c1 ZINC000032760298 557315332 /nfs/dbraw/zinc/31/53/32/557315332.db2.gz MKECEDKGMFPBSQ-LBPRGKRZSA-N 0 0 447.467 3.710 50 0 IHAARN C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@H](C)C[C@@H](C)C1 ZINC000102253922 557316537 /nfs/dbraw/zinc/31/65/37/557316537.db2.gz DKTDSSVMVIQESN-BRWVUGGUSA-N 0 0 442.025 3.820 50 0 IHAARN CC(C)OC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CCCC2 ZINC000102351602 557317744 /nfs/dbraw/zinc/31/77/44/557317744.db2.gz AQGQSLJJONOEMO-GJZGRUSLSA-N 0 0 446.569 3.696 50 0 IHAARN COc1ccccc1NC(=O)COC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000032933271 557318846 /nfs/dbraw/zinc/31/88/46/557318846.db2.gz FQIRPCBILXBOPX-AWEZNQCLSA-N 0 0 437.418 3.507 50 0 IHAARN Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCC[NH2+]C2)c1[O-] ZINC000095627831 557318891 /nfs/dbraw/zinc/31/88/91/557318891.db2.gz NGYNBSHYFOFVLS-LBPRGKRZSA-N 0 0 441.912 3.663 50 0 investigational IHAARN COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NC[C@H]3CCCO3)c2C1 ZINC000104028501 557319434 /nfs/dbraw/zinc/31/94/34/557319434.db2.gz YFIXCUMHORTBRC-HXUWFJFHSA-N 0 0 436.556 3.600 50 0 IHAARN COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NC[C@@H]3CCCO3)c2C1 ZINC000104028494 557319485 /nfs/dbraw/zinc/31/94/85/557319485.db2.gz YFIXCUMHORTBRC-FQEVSTJZSA-N 0 0 436.556 3.600 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000014233768 557327189 /nfs/dbraw/zinc/32/71/89/557327189.db2.gz RLBLPXFOERWHGV-QFIPXVFZSA-N 0 0 442.947 3.824 50 0 IHAARN CN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014245332 557329470 /nfs/dbraw/zinc/32/94/70/557329470.db2.gz NEJTYLBPCUVMMG-UHFFFAOYSA-N 0 0 428.485 3.778 50 0 IHAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@H](C)O1 ZINC000014429978 557337817 /nfs/dbraw/zinc/33/78/17/557337817.db2.gz XHXITPYKOYXGCN-KBPBESRZSA-N 0 0 442.459 3.756 50 0 IHAARN O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2sccc2Cl)CC1 ZINC000023427172 557353749 /nfs/dbraw/zinc/35/37/49/557353749.db2.gz WAUGYJCQLIZAFJ-UHFFFAOYSA-N 0 0 446.985 3.750 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102692819 557364749 /nfs/dbraw/zinc/36/47/49/557364749.db2.gz YXULWJUBTNSZEX-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1ccc([C@H](NC(=O)CSc2nnnn2Cc2ccco2)c2cccs2)cc1 ZINC000011681191 557366141 /nfs/dbraw/zinc/36/61/41/557366141.db2.gz RPATVRJGOLKNHA-IBGZPJMESA-N 0 0 425.539 3.682 50 0 IHAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)n1 ZINC000220815465 557367105 /nfs/dbraw/zinc/36/71/05/557367105.db2.gz ICOJWKPORJIKHI-KRWDZBQOSA-N 0 0 428.492 3.981 50 0 IHAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)N4CCCN4[C@@H]3C2=O)cc1 ZINC000102680742 557368242 /nfs/dbraw/zinc/36/82/42/557368242.db2.gz MNDQEJIRPBOIAS-UFYCRDLUSA-N 0 0 446.334 3.928 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000102724237 557369642 /nfs/dbraw/zinc/36/96/42/557369642.db2.gz VZAFSPQRRKUHIT-DNVJHFABSA-N 0 0 430.460 3.760 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cccc3ccccc32)C(=O)N2CCN(C)CC2)cc1 ZINC000023686914 557371512 /nfs/dbraw/zinc/37/15/12/557371512.db2.gz HDGJFLVCYAXSLU-UHFFFAOYSA-N 0 0 437.565 3.707 50 0 IHAARN CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000023804926 557375628 /nfs/dbraw/zinc/37/56/28/557375628.db2.gz VMGFTOOJRPTUEM-UHFFFAOYSA-N 0 0 436.600 3.580 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@H]1c1cccs1 ZINC000102748692 557378762 /nfs/dbraw/zinc/37/87/62/557378762.db2.gz BGKHRLSDMDFOGJ-IBGZPJMESA-N 0 0 440.550 3.598 50 0 IHAARN Clc1ccccc1[C@H]1CC(c2ccc(I)cc2)=Nc2nnnn21 ZINC000102799521 557389690 /nfs/dbraw/zinc/38/96/90/557389690.db2.gz VVFRCQYQPGNMNC-OAHLLOKOSA-N 0 0 435.656 3.987 50 0 IHAARN CCOc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O ZINC000011694878 557392922 /nfs/dbraw/zinc/39/29/22/557392922.db2.gz WBBMFNAKLGKZHU-ZUSMLRIVSA-N 0 0 427.892 3.694 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013955766 557397550 /nfs/dbraw/zinc/39/75/50/557397550.db2.gz OCTLHFYRVAEWDG-WMZOPIPTSA-N 0 0 429.590 3.575 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013955980 557397905 /nfs/dbraw/zinc/39/79/05/557397905.db2.gz WFWKNZLIKFWGFU-HKUYNNGSSA-N 0 0 443.617 3.883 50 0 IHAARN CC(C)OCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(C)CC1 ZINC000004872328 557399962 /nfs/dbraw/zinc/39/99/62/557399962.db2.gz QBVNELBBNCGCKD-XWEVFREBSA-N 0 0 427.589 3.953 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(-c2cccs2)n1CC)c1nc(C)cs1 ZINC000102898731 557411466 /nfs/dbraw/zinc/41/14/66/557411466.db2.gz HSFSCBRMPLOWTC-AWEZNQCLSA-N 0 0 436.584 3.800 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000102912272 557411876 /nfs/dbraw/zinc/41/18/76/557411876.db2.gz KRTFUMFAYMRUBY-FDFHNCONSA-N 0 0 446.459 3.816 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000004943753 557412969 /nfs/dbraw/zinc/41/29/69/557412969.db2.gz APFJLEIRIFYPAS-UHFFFAOYSA-N 0 0 425.485 3.747 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C)cc1 ZINC000103029075 557416582 /nfs/dbraw/zinc/41/65/82/557416582.db2.gz VMJILGNOZBRJAU-IAGOWNOFSA-N 0 0 427.526 3.631 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 ZINC000103124258 557419455 /nfs/dbraw/zinc/41/94/55/557419455.db2.gz INOKKCJHZGPOHE-KRWDZBQOSA-N 0 0 442.566 3.918 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000103222454 557428034 /nfs/dbraw/zinc/42/80/34/557428034.db2.gz PADVOKDFVJTERK-ARBPTSGCSA-N 0 0 431.492 3.989 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000103505249 557438030 /nfs/dbraw/zinc/43/80/30/557438030.db2.gz GDICJEDWBSWSJM-KQDGOKAWSA-N 0 0 440.543 3.741 50 0 IHAARN C/C=C\c1ccc(OC[C@@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 ZINC000104223736 557453354 /nfs/dbraw/zinc/45/33/54/557453354.db2.gz WMQMCRPTMLJPRC-UTSMFGRCSA-N 0 0 449.494 3.812 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000105009442 557472058 /nfs/dbraw/zinc/47/20/58/557472058.db2.gz QUHGQWVQCBZIRV-DNQXCXABSA-N 0 0 449.551 3.791 50 0 IHAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000018381070 557501218 /nfs/dbraw/zinc/50/12/18/557501218.db2.gz LOLLRIRVFTXSGF-FQEVSTJZSA-N 0 0 443.525 3.546 50 0 IHAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000018390903 557509118 /nfs/dbraw/zinc/50/91/18/557509118.db2.gz IBLSRXUBEUJIOH-UHFFFAOYSA-N 0 0 436.489 3.792 50 0 IHAARN COc1ccc(-c2nc(P(=O)(OC)OC)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000012062620 557525820 /nfs/dbraw/zinc/52/58/20/557525820.db2.gz JMADWZDXKUBRME-UHFFFAOYSA-N 0 0 432.369 3.802 50 0 IHAARN CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(N2CCOCC2)cc1 ZINC000012082536 557527751 /nfs/dbraw/zinc/52/77/51/557527751.db2.gz YELSKZGHXZJMMZ-UHFFFAOYSA-N 0 0 435.480 3.778 50 0 IHAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000044803308 557537080 /nfs/dbraw/zinc/53/70/80/557537080.db2.gz VWPTUPDLVZHVIE-UHFFFAOYSA-N 0 0 437.565 3.998 50 0 IHAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Br)c1=O ZINC000044840886 557539387 /nfs/dbraw/zinc/53/93/87/557539387.db2.gz TYSAMIRTOJVJBF-AWEZNQCLSA-N 0 0 444.329 3.844 50 0 IHAARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000044973698 557541991 /nfs/dbraw/zinc/54/19/91/557541991.db2.gz WSDIXOAVYPAFQU-CYBMUJFWSA-N 0 0 436.331 3.649 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000109069688 557545649 /nfs/dbraw/zinc/54/56/49/557545649.db2.gz BZJWQUOOALCTGW-ROUUACIJSA-N 0 0 437.590 3.863 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H](CC)n2cnc3c4cccnc4sc3c2=O)cc1 ZINC000045895641 557546469 /nfs/dbraw/zinc/54/64/69/557546469.db2.gz RUTKKVYZLZKCPU-INIZCTEOSA-N 0 0 436.493 3.773 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 ZINC000045921582 557547590 /nfs/dbraw/zinc/54/75/90/557547590.db2.gz GJGQIVSQUJWRGN-UHFFFAOYSA-N 0 0 448.548 3.889 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)N1CCCCC1 ZINC000045971509 557555460 /nfs/dbraw/zinc/55/54/60/557555460.db2.gz XSJDFZIBIUEWIL-UHFFFAOYSA-N 0 0 426.933 3.802 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cccc4[nH]ccc43)CC2)c(C)c1 ZINC000225423140 557721587 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ZINC000009962073 562977961 /nfs/dbraw/zinc/97/79/61/562977961.db2.gz KOGYJWWIFCRONS-GOSISDBHSA-N 0 0 439.537 3.591 50 0 IHAARN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000011783969 562979301 /nfs/dbraw/zinc/97/93/01/562979301.db2.gz CTLIDOVEEUGZRV-UGKGYDQZSA-N 0 0 437.927 3.919 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F ZINC000012615571 562982897 /nfs/dbraw/zinc/98/28/97/562982897.db2.gz PUJJXCWKJUQWDP-UHFFFAOYSA-N 0 0 436.814 3.933 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000013023639 562984239 /nfs/dbraw/zinc/98/42/39/562984239.db2.gz IMDZPHVWUMTUHV-UHFFFAOYSA-N 0 0 439.581 3.729 50 0 IHAARN C[C@@H](NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 ZINC000015936724 563018972 /nfs/dbraw/zinc/01/89/72/563018972.db2.gz QUDPNFLNNQYUFR-GOSISDBHSA-N 0 0 425.554 3.693 50 0 IHAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)c1 ZINC000015936958 563019152 /nfs/dbraw/zinc/01/91/52/563019152.db2.gz 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COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2OC)cc1 ZINC000015328787 568758345 /nfs/dbraw/zinc/75/83/45/568758345.db2.gz CYZJPFGKNTWDOO-UHFFFAOYSA-N 0 0 426.537 3.728 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cn1 ZINC000059003006 568759865 /nfs/dbraw/zinc/75/98/65/568759865.db2.gz DGKRXWIYALNGIS-OAHLLOKOSA-N 0 0 445.445 3.978 50 0 IHAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(O)c2)C(Cl)(Cl)Cl)cc1 ZINC000001232175 568759947 /nfs/dbraw/zinc/75/99/47/568759947.db2.gz GPKPFVQMVUFMPL-HNNXBMFYSA-N 0 0 448.759 3.814 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(OC)c(-c2nnc(C)o2)c1 ZINC000263587382 568760562 /nfs/dbraw/zinc/76/05/62/568760562.db2.gz GHAGTKVEUKGANR-UHFFFAOYSA-N 0 0 436.468 3.672 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000263588432 568760965 /nfs/dbraw/zinc/76/09/65/568760965.db2.gz UEIMHUNNNUVRCG-UHFFFAOYSA-N 0 0 425.876 3.539 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N2C(=O)CCSC2=N1 ZINC000001254287 568775302 /nfs/dbraw/zinc/77/53/02/568775302.db2.gz BTBDOVYOGOSQJT-NRFANRHFSA-N 0 0 436.489 3.809 50 0 IHAARN COc1ccc([C@H]2Cn3cnc(C(=O)NCc4ccccc4Br)c3CO2)cc1 ZINC000263615041 568775854 /nfs/dbraw/zinc/77/58/54/568775854.db2.gz AGHFCHAQZIVKAR-LJQANCHMSA-N 0 0 442.313 3.856 50 0 IHAARN CCOc1cccc(CNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 ZINC000263615288 568775952 /nfs/dbraw/zinc/77/59/52/568775952.db2.gz BPNDSAGSCPWSAX-IBGZPJMESA-N 0 0 433.556 3.540 50 0 IHAARN O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(Br)cc1F ZINC000263616618 568776762 /nfs/dbraw/zinc/77/67/62/568776762.db2.gz JTBCGFZYVVNUCW-UHFFFAOYSA-N 0 0 428.261 3.605 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccccc4C(F)(F)F)c3CO2)cc1 ZINC000263617246 568777084 /nfs/dbraw/zinc/77/70/84/568777084.db2.gz MWDNHSUJDZBPER-SFHVURJKSA-N 0 0 432.402 3.507 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000263617671 568777295 /nfs/dbraw/zinc/77/72/95/568777295.db2.gz OZEDDOKAKGZCPI-UHFFFAOYSA-N 0 0 434.471 3.557 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 ZINC000001329071 568780300 /nfs/dbraw/zinc/78/03/00/568780300.db2.gz RWUVKILJCSRAPD-UHFFFAOYSA-N 0 0 425.510 3.570 50 0 IHAARN CCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C(C)C)cc1 ZINC000083823575 568782578 /nfs/dbraw/zinc/78/25/78/568782578.db2.gz VURZKYHEUHPZNN-OAQYLSRUSA-N 0 0 448.571 3.974 50 0 IHAARN COc1ccc(NC(=O)Cn2c(CS(=O)(=O)c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000001400651 568786294 /nfs/dbraw/zinc/78/62/94/568786294.db2.gz CDIPHPIKKVZJOB-UHFFFAOYSA-N 0 0 449.532 3.966 50 0 IHAARN COc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3OC)N(C)C)cs2)cc1OC ZINC000032204224 568787121 /nfs/dbraw/zinc/78/71/21/568787121.db2.gz CYBQQCZPUMLLSO-GOSISDBHSA-N 0 0 441.553 3.869 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n(-c3cc(C)nc(N(C(C)=O)C(C)=O)n3)n2)cc1 ZINC000001407813 568787261 /nfs/dbraw/zinc/78/72/61/568787261.db2.gz ZWPUWVRKFFZWKY-UHFFFAOYSA-N 0 0 433.390 3.565 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OCC(N)=O ZINC000046076660 568787363 /nfs/dbraw/zinc/78/73/63/568787363.db2.gz KJGOHTLLDQDMQI-CQSZACIVSA-N 0 0 426.469 3.901 50 0 IHAARN CN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000001409722 568787490 /nfs/dbraw/zinc/78/74/90/568787490.db2.gz BZTXRIWCALTEKM-HXUWFJFHSA-N 0 0 435.524 3.845 50 0 IHAARN Cc1cc(C)nc(SCC(=O)NC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000084114629 568793355 /nfs/dbraw/zinc/79/33/55/568793355.db2.gz XOPXWNPFZJPAHR-UHFFFAOYSA-N 0 0 436.375 3.770 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000001425277 568793785 /nfs/dbraw/zinc/79/37/85/568793785.db2.gz DJBZTOJXXNHEIN-FQEVSTJZSA-N 0 0 428.510 3.667 50 0 IHAARN CN1C2=C(C(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2)[C@H](c2ccc(O)cc2)NC1=O ZINC000001432659 568795130 /nfs/dbraw/zinc/79/51/30/568795130.db2.gz IWQYKCPWYLSARW-KRWDZBQOSA-N 0 0 435.814 3.557 50 0 IHAARN Cc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000012752849 568795648 /nfs/dbraw/zinc/79/56/48/568795648.db2.gz RXUYJHAHMDPORI-IBGZPJMESA-N 0 0 436.552 3.847 50 0 IHAARN O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000084501674 568798090 /nfs/dbraw/zinc/79/80/90/568798090.db2.gz GAANIQQBIOEQIY-LJQANCHMSA-N 0 0 447.359 3.625 50 0 IHAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@@H]1CCC(=O)NC1 ZINC000084459585 568798138 /nfs/dbraw/zinc/79/81/38/568798138.db2.gz WFLZYKLDFZJMFU-SNVBAGLBSA-N 0 0 432.249 3.861 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015670597 568802591 /nfs/dbraw/zinc/80/25/91/568802591.db2.gz WLTNQZRBUUSOIP-GOSISDBHSA-N 0 0 430.443 3.655 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@H]1CCCO1 ZINC000015678092 568804528 /nfs/dbraw/zinc/80/45/28/568804528.db2.gz DBAFPVLXKPGLLO-CLOONOSVSA-N 0 0 438.572 3.659 50 0 IHAARN Cc1cccc(N2CCN(C(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)C[C@H]2C)c1 ZINC000015679181 568805635 /nfs/dbraw/zinc/80/56/35/568805635.db2.gz LBLZAVCKXJHUFP-GOSISDBHSA-N 0 0 449.507 3.633 50 0 IHAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015704884 568807556 /nfs/dbraw/zinc/80/75/56/568807556.db2.gz FVIXDTXPNJEASY-UHFFFAOYSA-N 0 0 432.517 3.910 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1Cl ZINC000015711464 568811355 /nfs/dbraw/zinc/81/13/55/568811355.db2.gz NNKNPNCJXDYIBP-UHFFFAOYSA-N 0 0 432.885 3.658 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000015729981 568813663 /nfs/dbraw/zinc/81/36/63/568813663.db2.gz ULANDIHHOWGBCZ-UHFFFAOYSA-N 0 0 436.581 3.853 50 0 IHAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000012809227 568813866 /nfs/dbraw/zinc/81/38/66/568813866.db2.gz UNQPTBDFLXRGOZ-UHFFFAOYSA-N 0 0 436.441 3.800 50 0 IHAARN CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015731002 568814449 /nfs/dbraw/zinc/81/44/49/568814449.db2.gz UEIHLHMNFXATGD-HNNXBMFYSA-N 0 0 448.566 3.658 50 0 IHAARN CCN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(C)c3)ncc2S1(=O)=O ZINC000015731752 568814606 /nfs/dbraw/zinc/81/46/06/568814606.db2.gz PQMXYTZXPQDWRA-UHFFFAOYSA-N 0 0 440.550 3.711 50 0 IHAARN COc1ccc(-c2nc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)n[nH]2)cc1 ZINC000015731930 568815000 /nfs/dbraw/zinc/81/50/00/568815000.db2.gz DZTGZUUMMWGYBJ-UHFFFAOYSA-N 0 0 425.539 3.721 50 0 IHAARN COc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1OC ZINC000015734155 568815901 /nfs/dbraw/zinc/81/59/01/568815901.db2.gz QKLRLCYULCYJKW-UHFFFAOYSA-N 0 0 429.498 3.573 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1 ZINC000015734890 568816437 /nfs/dbraw/zinc/81/64/37/568816437.db2.gz DHKNNFSAFVJTRH-UHFFFAOYSA-N 0 0 438.553 3.755 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Oc2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000001446176 568816690 /nfs/dbraw/zinc/81/66/90/568816690.db2.gz KVARLRRATHWSJA-AWEZNQCLSA-N 0 0 430.302 3.653 50 0 IHAARN COCCn1c(SC)nnc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000085393028 568816875 /nfs/dbraw/zinc/81/68/75/568816875.db2.gz LPYBQWQKQLHUCX-UHFFFAOYSA-N 0 0 428.539 3.505 50 0 IHAARN CCCCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000015741269 568819193 /nfs/dbraw/zinc/81/91/93/568819193.db2.gz NCVCJCGNCGVLLS-UHFFFAOYSA-N 0 0 434.533 3.832 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)c1C ZINC000006079819 568821725 /nfs/dbraw/zinc/82/17/25/568821725.db2.gz NURDEGOEYPLRIV-UHFFFAOYSA-N 0 0 440.569 3.836 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n2o1 ZINC000015772208 568822640 /nfs/dbraw/zinc/82/26/40/568822640.db2.gz NVTBJLRWGZTTDN-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc(=O)n2o1 ZINC000015772226 568822847 /nfs/dbraw/zinc/82/28/47/568822847.db2.gz REBZXYUFEBCNJN-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN CCOc1cc(CNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)ccc1OC ZINC000015774011 568823125 /nfs/dbraw/zinc/82/31/25/568823125.db2.gz FYYGPXXGWKTKLV-QFIPXVFZSA-N 0 0 430.504 3.982 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2C)CC1 ZINC000015778547 568824673 /nfs/dbraw/zinc/82/46/73/568824673.db2.gz CDNNLZULMAWQQZ-UHFFFAOYSA-N 0 0 435.503 3.507 50 0 IHAARN Fc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1F ZINC000015779715 568825020 /nfs/dbraw/zinc/82/50/20/568825020.db2.gz SFTARMOTZSGDHP-UHFFFAOYSA-N 0 0 439.485 3.779 50 0 IHAARN COc1ccc([C@H](O)c2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006101795 568825978 /nfs/dbraw/zinc/82/59/78/568825978.db2.gz MPQVPRSTYDTCGH-QHCPKHFHSA-N 0 0 443.521 3.903 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc(Cl)c3)n2n1 ZINC000015783914 568826597 /nfs/dbraw/zinc/82/65/97/568826597.db2.gz IFYALPBTRZSFAM-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)cc1 ZINC000085642145 568828839 /nfs/dbraw/zinc/82/88/39/568828839.db2.gz JDAPZPLUUOHQKA-UHFFFAOYSA-N 0 0 440.525 3.783 50 0 IHAARN COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1 ZINC000015785239 568829575 /nfs/dbraw/zinc/82/95/75/568829575.db2.gz UZDGCCNQEGATRY-UHFFFAOYSA-N 0 0 425.388 3.852 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000026503105 568838594 /nfs/dbraw/zinc/83/85/94/568838594.db2.gz IZYAMHAXMUXQSE-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000085988205 568839593 /nfs/dbraw/zinc/83/95/93/568839593.db2.gz PDMVUANBLVBFET-YCRPNKLZSA-N 0 0 432.904 3.884 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000015821444 568839789 /nfs/dbraw/zinc/83/97/89/568839789.db2.gz KOFSPSSBVCCDLY-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN COc1cnc(CSc2nccc(C)n2)cc1OCC(=O)Nc1ccc(F)cc1F ZINC000015824392 568840429 /nfs/dbraw/zinc/84/04/29/568840429.db2.gz CTYUBKNJRUSNPL-UHFFFAOYSA-N 0 0 432.452 3.777 50 0 IHAARN Cc1ccc2c(c1)N=C(CCC(=O)NCCC13CC4CC(CC(C4)C1)C3)NS2(=O)=O ZINC000015826632 568840698 /nfs/dbraw/zinc/84/06/98/568840698.db2.gz GMXVHVMXVDZLNH-UHFFFAOYSA-N 0 0 429.586 3.820 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)cc1F ZINC000015827016 568840932 /nfs/dbraw/zinc/84/09/32/568840932.db2.gz TZKCSTWTIOHDQV-UHFFFAOYSA-N 0 0 445.516 3.672 50 0 IHAARN COc1ccc(-c2nc(Cn3c4ccccc4c(=O)n(C(C)C)c3=O)c(C)o2)cc1OC ZINC000015829292 568841266 /nfs/dbraw/zinc/84/12/66/568841266.db2.gz IGNDEXBJRMDQJK-UHFFFAOYSA-N 0 0 435.480 3.773 50 0 IHAARN O=C(CSc1cnc2cc(S(=O)(=O)N3CCCCC3)ccc2n1)Nc1ccccc1 ZINC000015829724 568841411 /nfs/dbraw/zinc/84/14/11/568841411.db2.gz IYVZHOUHYWAJCQ-UHFFFAOYSA-N 0 0 442.566 3.535 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 ZINC000025691161 568842542 /nfs/dbraw/zinc/84/25/42/568842542.db2.gz XBCAGYLUHKWBLO-OPYAIIAOSA-N 0 0 426.513 3.576 50 0 IHAARN O=C(CSC(=S)N1CCOCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000038268889 568842947 /nfs/dbraw/zinc/84/29/47/568842947.db2.gz ZPBNYMWOETTYDF-FQEVSTJZSA-N 0 0 425.579 3.715 50 0 IHAARN CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1C ZINC000043763369 568843114 /nfs/dbraw/zinc/84/31/14/568843114.db2.gz KYPQXZVDOOBBJW-MZGZKICPSA-N 0 0 434.532 3.724 50 0 IHAARN CCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(-c4ccccc4)cc3)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000249693942 568843965 /nfs/dbraw/zinc/84/39/65/568843965.db2.gz OGSVCVZBYHYNOJ-ZYQDXHPFSA-N 0 0 449.510 3.930 50 0 IHAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)c(Cl)c2)C1=O ZINC000015858464 568846615 /nfs/dbraw/zinc/84/66/15/568846615.db2.gz YRLGYSJXHNFPTQ-AWEZNQCLSA-N 0 0 447.944 3.505 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1)n2CC ZINC000006153655 568847332 /nfs/dbraw/zinc/84/73/32/568847332.db2.gz ZYGVTBVRHCJOLL-UHFFFAOYSA-N 0 0 446.598 3.818 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000015865480 568850510 /nfs/dbraw/zinc/85/05/10/568850510.db2.gz NRINVVICMAVFEB-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2cnc3ccccc32)c2cccc(C)c2)cc1 ZINC000006171146 568850953 /nfs/dbraw/zinc/85/09/53/568850953.db2.gz XLSAQBMGLZOCEM-OAQYLSRUSA-N 0 0 435.549 3.910 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nccn3-c3ccccc3)ccc21 ZINC000026128140 568852469 /nfs/dbraw/zinc/85/24/69/568852469.db2.gz QQUQHDYMOWSMDO-UHFFFAOYSA-N 0 0 427.551 3.560 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1Cl ZINC000015882616 568857021 /nfs/dbraw/zinc/85/70/21/568857021.db2.gz BRDNRGBCLROPQX-QHCPKHFHSA-N 0 0 448.954 3.898 50 0 IHAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc2ccccc21 ZINC000015883463 568857627 /nfs/dbraw/zinc/85/76/27/568857627.db2.gz CTINDLMUYQZDLG-UHFFFAOYSA-N 0 0 448.548 3.640 50 0 IHAARN Cc1c(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)cnn1-c1ccccc1 ZINC000575414565 568862323 /nfs/dbraw/zinc/86/23/23/568862323.db2.gz BNPPOCJPEVSYNN-NRFANRHFSA-N 0 0 443.956 3.836 50 0 IHAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414849 568862489 /nfs/dbraw/zinc/86/24/89/568862489.db2.gz LYKRXJYRYFRZEU-KRWDZBQOSA-N 0 0 448.393 3.852 50 0 IHAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1 ZINC000016010287 568862504 /nfs/dbraw/zinc/86/25/04/568862504.db2.gz SZGZLAHRMIFTES-GOSISDBHSA-N 0 0 443.525 3.852 50 0 IHAARN O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000016015803 568862859 /nfs/dbraw/zinc/86/28/59/568862859.db2.gz KMXXOJGOIFHVFB-UHFFFAOYSA-N 0 0 445.031 3.879 50 0 IHAARN COc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012937102 568865976 /nfs/dbraw/zinc/86/59/76/568865976.db2.gz CDEFFSOIKBTYLE-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000016050365 568869436 /nfs/dbraw/zinc/86/94/36/568869436.db2.gz XDWHYUQBYAYMJH-QGZVFWFLSA-N 0 0 444.553 3.805 50 0 IHAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012941415 568869991 /nfs/dbraw/zinc/86/99/91/568869991.db2.gz RSBQQRJVAAZPIB-FQEVSTJZSA-N 0 0 432.611 3.993 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000012943613 568870424 /nfs/dbraw/zinc/87/04/24/568870424.db2.gz NDTYPEGURZWBGE-UHFFFAOYSA-N 0 0 443.521 3.770 50 0 IHAARN O=C(CN1C(=O)N[C@@H](c2ccccc2)C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012943815 568870478 /nfs/dbraw/zinc/87/04/78/568870478.db2.gz JXPKDKDJYDOKRH-HNNXBMFYSA-N 0 0 445.319 3.956 50 0 IHAARN Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1I ZINC000012944759 568870593 /nfs/dbraw/zinc/87/05/93/568870593.db2.gz SAVWZEQQEXHNRK-UHFFFAOYSA-N 0 0 434.277 3.908 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000012947125 568871353 /nfs/dbraw/zinc/87/13/53/568871353.db2.gz SFZLDVLAAFBHAD-IBGZPJMESA-N 0 0 440.931 3.501 50 0 IHAARN CC1CCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000016226832 568873480 /nfs/dbraw/zinc/87/34/80/568873480.db2.gz UPXQWHAQOAKYSO-UHFFFAOYSA-N 0 0 433.618 3.724 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCc1cc(-c2ccco2)on1 ZINC000016256935 568874842 /nfs/dbraw/zinc/87/48/42/568874842.db2.gz BPLQBTRFHKTDSL-UHFFFAOYSA-N 0 0 435.362 3.684 50 0 IHAARN COc1ccc(Br)c(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c1 ZINC000575614023 568879947 /nfs/dbraw/zinc/87/99/47/568879947.db2.gz ZIIXLOOFXAGXEQ-NRFANRHFSA-N 0 0 434.330 3.502 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)C1 ZINC000575615137 568881261 /nfs/dbraw/zinc/88/12/61/568881261.db2.gz BWWXWBMSSWRVNB-CQSZACIVSA-N 0 0 428.480 3.626 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575616984 568881748 /nfs/dbraw/zinc/88/17/48/568881748.db2.gz LXUZTYDUQUJKAT-KRWDZBQOSA-N 0 0 449.985 3.898 50 0 IHAARN CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1O ZINC000006296529 568882290 /nfs/dbraw/zinc/88/22/90/568882290.db2.gz GVXNCGQCDRFKDL-UHFFFAOYSA-N 0 0 441.553 3.582 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(C)c(F)c4)n3n2)c1 ZINC000009569102 568883992 /nfs/dbraw/zinc/88/39/92/568883992.db2.gz IAPRSZGZASXRNU-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3cc(N4CCCC4)ncn3)C2)nn1 ZINC000090592324 568888714 /nfs/dbraw/zinc/88/87/14/568888714.db2.gz WSGBUEPZEWAROT-IBGZPJMESA-N 0 0 443.555 3.697 50 0 IHAARN COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3sc(C)nc3C)C2)nn1 ZINC000090593023 568888994 /nfs/dbraw/zinc/88/89/94/568888994.db2.gz JRYRQMMDSZYGTE-QGZVFWFLSA-N 0 0 437.569 3.758 50 0 IHAARN COc1ccc(SCC2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000090608295 568890998 /nfs/dbraw/zinc/89/09/98/568890998.db2.gz ZEDDIUZIWIWVQD-UHFFFAOYSA-N 0 0 437.583 3.905 50 0 IHAARN COc1ccc(SCC2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC000090608266 568891013 /nfs/dbraw/zinc/89/10/13/568891013.db2.gz DWOUCSPMZQPKBI-UHFFFAOYSA-N 0 0 448.610 3.590 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)S2(=O)=O)cc1 ZINC000035534718 568892769 /nfs/dbraw/zinc/89/27/69/568892769.db2.gz UALJWVMFOGFAEO-UHFFFAOYSA-N 0 0 432.929 3.753 50 0 IHAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023936642 568895490 /nfs/dbraw/zinc/89/54/90/568895490.db2.gz MQXCHPVJRKVIFH-RMKNXTFCSA-N 0 0 437.547 3.951 50 0 IHAARN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000012986244 568895762 /nfs/dbraw/zinc/89/57/62/568895762.db2.gz SMYBTDQEDJFVLO-UHFFFAOYSA-N 0 0 439.364 3.629 50 0 IHAARN CCOC(=O)COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000032916082 568895813 /nfs/dbraw/zinc/89/58/13/568895813.db2.gz LTWIGKRKZFBZQD-OQRGYWNNSA-N 0 0 443.496 3.545 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032962485 568895856 /nfs/dbraw/zinc/89/58/56/568895856.db2.gz KBSBYHXIJIJRNK-DVOKUDDGSA-N 0 0 433.596 3.997 50 0 IHAARN Cc1nn(Cc2coc(-c3ccccc3)n2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000013003529 568898484 /nfs/dbraw/zinc/89/84/84/568898484.db2.gz HVDDOPXJYLOKGS-UHFFFAOYSA-N 0 0 434.521 3.955 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1C ZINC000013004223 568898936 /nfs/dbraw/zinc/89/89/36/568898936.db2.gz QYOKBMUXURTTDB-JOCHJYFZSA-N 0 0 428.579 3.891 50 0 IHAARN CCOc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1S(=O)(=O)N(C)C ZINC000013004950 568898953 /nfs/dbraw/zinc/89/89/53/568898953.db2.gz KRJSRXTXGWRHSN-UHFFFAOYSA-N 0 0 435.527 3.613 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(Cl)ccc3OC)C2=O)cc1 ZINC000013017841 568901888 /nfs/dbraw/zinc/90/18/88/568901888.db2.gz NTAQJYPIUSTNJE-WQRHYEAKSA-N 0 0 446.912 3.824 50 0 IHAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)NCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000035712333 568907678 /nfs/dbraw/zinc/90/76/78/568907678.db2.gz AMEWSOWJGHQURE-NRFANRHFSA-N 0 0 436.512 3.932 50 0 IHAARN CCOc1ccc(NS(=O)(=O)C2CCC(C)(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000089269743 568910027 /nfs/dbraw/zinc/91/00/27/568910027.db2.gz NZAWXTPPACRKNJ-UHFFFAOYSA-N 0 0 444.619 3.580 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000239338780 568911240 /nfs/dbraw/zinc/91/12/40/568911240.db2.gz LFBZXRHYVFESHI-DNVFCKCGSA-N 0 0 426.582 3.615 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000241338530 568912092 /nfs/dbraw/zinc/91/20/92/568912092.db2.gz MBLJMFLIBSKYAN-BAGYTPMASA-N 0 0 446.613 3.765 50 0 IHAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000245253590 568913462 /nfs/dbraw/zinc/91/34/62/568913462.db2.gz IPZLNMQUSXRPEM-DNVKUUNQSA-N 0 0 441.524 3.927 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000245256507 568914009 /nfs/dbraw/zinc/91/40/09/568914009.db2.gz QDYCADGJPUDWHK-QAQDUYKDSA-N 0 0 447.532 3.508 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000245327304 568915035 /nfs/dbraw/zinc/91/50/35/568915035.db2.gz OCUFAWVLMNSZOB-WCIQWLHISA-N 0 0 442.437 3.849 50 0 IHAARN COC(=O)c1cc(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc(C(=O)OC)c1 ZINC000001895527 568917721 /nfs/dbraw/zinc/91/77/21/568917721.db2.gz DPORSZUUWMTNFI-UHFFFAOYSA-N 0 0 445.522 3.612 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000247694108 568918668 /nfs/dbraw/zinc/91/86/68/568918668.db2.gz YOZPXADXKLIWKS-OKZBNKHCSA-N 0 0 435.833 3.894 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 ZINC000247945907 568918780 /nfs/dbraw/zinc/91/87/80/568918780.db2.gz QVQWILUXLJHDTC-CZYKHXBRSA-N 0 0 428.419 3.817 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000248144955 568919149 /nfs/dbraw/zinc/91/91/49/568919149.db2.gz RWNHVTYCERGCSB-GSPCLOLRSA-N 0 0 440.455 3.687 50 0 IHAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)c1ccc(OC)cc1OC ZINC000016498139 568920401 /nfs/dbraw/zinc/92/04/01/568920401.db2.gz ZRKMKQMLXGEADC-MRXNPFEDSA-N 0 0 435.542 3.873 50 0 IHAARN CN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2c(c1)CCO2 ZINC000089334944 568920545 /nfs/dbraw/zinc/92/05/45/568920545.db2.gz YPXJYXUBNSHYSB-SZPZYZBQSA-N 0 0 434.536 3.712 50 0 IHAARN CN(C(=O)CN1CCN(c2ccc(Cl)nn2)CC1)C(c1ccccc1)c1ccccc1 ZINC000089310274 568920688 /nfs/dbraw/zinc/92/06/88/568920688.db2.gz GEOFDUQWOSJMOL-UHFFFAOYSA-N 0 0 435.959 3.500 50 0 IHAARN CC[C@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccccc4C)no3)c(C)c2c1=O ZINC000064439204 568928501 /nfs/dbraw/zinc/92/85/01/568928501.db2.gz AGNULDRUPWFVNS-ZDUSSCGKSA-N 0 0 437.525 3.707 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2cccc(Cl)c2)c2cc(OC)c(OC)cc2n1 ZINC000064473453 568930547 /nfs/dbraw/zinc/93/05/47/568930547.db2.gz QLHRJSPYSJUFLC-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000064566012 568932869 /nfs/dbraw/zinc/93/28/69/568932869.db2.gz DAOCROPQQNZCRA-UHFFFAOYSA-N 0 0 437.974 3.599 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000064566196 568933024 /nfs/dbraw/zinc/93/30/24/568933024.db2.gz WLTKWXHWAYPARQ-UHFFFAOYSA-N 0 0 433.899 3.913 50 0 IHAARN Cn1c2cc(NC(=O)Nc3cccc(Br)c3)c(N3CCCC3)cc2n(C)c1=O ZINC000064591160 568935355 /nfs/dbraw/zinc/93/53/55/568935355.db2.gz PTXFNZZMXKJCSL-UHFFFAOYSA-N 0 0 444.333 3.884 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc2c1=O ZINC000006600205 568935651 /nfs/dbraw/zinc/93/56/51/568935651.db2.gz FAZTUACRMBVHDL-UHFFFAOYSA-N 0 0 441.553 3.953 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(Cl)c4)nnc3c2=O)cc1C ZINC000064593578 568935925 /nfs/dbraw/zinc/93/59/25/568935925.db2.gz MPJFCKAZPVUZAA-UHFFFAOYSA-N 0 0 439.928 3.881 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c(Cl)c1 ZINC000064593348 568935949 /nfs/dbraw/zinc/93/59/49/568935949.db2.gz ONAOZJAXSXRWBJ-UHFFFAOYSA-N 0 0 443.891 3.712 50 0 IHAARN CC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)nc1C ZINC000089536875 568936713 /nfs/dbraw/zinc/93/67/13/568936713.db2.gz PKKFGVCUCBOADS-KIZRYQFWSA-N 0 0 425.573 3.566 50 0 IHAARN CC(=O)c1ccc(CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)nc1C ZINC000089536873 568936722 /nfs/dbraw/zinc/93/67/22/568936722.db2.gz PKKFGVCUCBOADS-VBSWXYJSSA-N 0 0 425.573 3.566 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689892 568938343 /nfs/dbraw/zinc/93/83/43/568938343.db2.gz UXHWRUBXKLVFTA-UHFFFAOYSA-N 0 0 433.478 3.838 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc3ccccc32)c1=O ZINC000064604910 568939069 /nfs/dbraw/zinc/93/90/69/568939069.db2.gz LNTBUUUWNHITSM-UHFFFAOYSA-N 0 0 426.476 3.969 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 ZINC000064605408 568939715 /nfs/dbraw/zinc/93/97/15/568939715.db2.gz AGYOHXGQABOGPP-UHFFFAOYSA-N 0 0 443.503 3.794 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000064611344 568940077 /nfs/dbraw/zinc/94/00/77/568940077.db2.gz VSKDYDQOTNVWSQ-MHZLTWQESA-N 0 0 445.607 3.690 50 0 IHAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2F)c1=O ZINC000036085380 568947986 /nfs/dbraw/zinc/94/79/86/568947986.db2.gz UZMJSISVBWVHCJ-OAHLLOKOSA-N 0 0 448.429 3.534 50 0 IHAARN COc1ccc(-c2ncccc2CNS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000064755990 568951380 /nfs/dbraw/zinc/95/13/80/568951380.db2.gz FTYXUFJSIGTPKB-UHFFFAOYSA-N 0 0 433.327 3.998 50 0 IHAARN COc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036095738 568951428 /nfs/dbraw/zinc/95/14/28/568951428.db2.gz FGZQQOUKCZDBEZ-IBGZPJMESA-N 0 0 427.497 3.748 50 0 IHAARN CCN1c2ccc(CNC(=O)[C@H]3COc4ccccc4O3)cc2Sc2ncccc2C1=O ZINC000064759610 568951983 /nfs/dbraw/zinc/95/19/83/568951983.db2.gz HUDRXDFSSCMMNA-HXUWFJFHSA-N 0 0 447.516 3.669 50 0 IHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)c1 ZINC000036117336 568955737 /nfs/dbraw/zinc/95/57/37/568955737.db2.gz WBKVXZUBESOZCZ-OAQYLSRUSA-N 0 0 442.581 3.909 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CC1)C1CC1 ZINC000036117882 568955924 /nfs/dbraw/zinc/95/59/24/568955924.db2.gz JGFQFCXMQIBYMU-IBGZPJMESA-N 0 0 440.565 3.663 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000036123227 568958562 /nfs/dbraw/zinc/95/85/62/568958562.db2.gz QJDKPZKKSSJDBL-LJQANCHMSA-N 0 0 431.533 3.586 50 0 IHAARN COc1ccccc1NC(=O)CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792448 568959255 /nfs/dbraw/zinc/95/92/55/568959255.db2.gz AOZIXZYQYLDNOL-QFIPXVFZSA-N 0 0 438.491 3.771 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)NCc1ccccc1F ZINC000064792570 568959322 /nfs/dbraw/zinc/95/93/22/568959322.db2.gz NPUKFFNPHBPFKQ-QHCPKHFHSA-N 0 0 440.482 3.579 50 0 IHAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)NCc3ccccc3)c3nnnn32)cc1 ZINC000064793098 568959514 /nfs/dbraw/zinc/95/95/14/568959514.db2.gz RRXCDRLSYSNVIA-DEOSSOPVSA-N 0 0 436.519 3.748 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1OC ZINC000064801048 568960805 /nfs/dbraw/zinc/96/08/05/568960805.db2.gz FYJBOFDVYQMMLS-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN Cc1ccccc1OC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CC1 ZINC000036156997 568965708 /nfs/dbraw/zinc/96/57/08/568965708.db2.gz XIQXZOUTRXXQMR-QGZVFWFLSA-N 0 0 439.581 3.576 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000064819107 568966048 /nfs/dbraw/zinc/96/60/48/568966048.db2.gz IRMMNQLDYUNFGU-UHFFFAOYSA-N 0 0 444.457 3.939 50 0 IHAARN O=C(NCc1cccs1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819379 568966178 /nfs/dbraw/zinc/96/61/78/568966178.db2.gz OQNAJOQFJCURKY-UHFFFAOYSA-N 0 0 430.533 3.977 50 0 IHAARN COc1cc(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc(OC)c1OC ZINC000064818282 568966426 /nfs/dbraw/zinc/96/64/26/568966426.db2.gz XXCKLOVODVVVHV-UHFFFAOYSA-N 0 0 441.459 3.921 50 0 IHAARN O=C([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(NC(=O)c2cccs2)c1 ZINC000064820577 568967269 /nfs/dbraw/zinc/96/72/69/568967269.db2.gz OHMHVSVPVBMEHV-UHFFFAOYSA-N 0 0 443.569 3.637 50 0 IHAARN CCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000064841872 568970435 /nfs/dbraw/zinc/97/04/35/568970435.db2.gz AIUINZVQNZAGOT-UHFFFAOYSA-N 0 0 429.542 3.691 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3cccc(OC)c3)c3c(C)onc3c2=O)cc1 ZINC000064842513 568970839 /nfs/dbraw/zinc/97/08/39/568970839.db2.gz QLAMMTLSPAAYBD-CQSZACIVSA-N 0 0 448.479 3.967 50 0 IHAARN Cc1c(C(=O)Nc2ccc(F)cc2F)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000064865874 568974057 /nfs/dbraw/zinc/97/40/57/568974057.db2.gz AZCDKMQTWLAFHJ-GFCCVEGCSA-N 0 0 425.501 3.593 50 0 IHAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036209634 568974109 /nfs/dbraw/zinc/97/41/09/568974109.db2.gz UHQFVIHGKIZQOZ-DYESRHJHSA-N 0 0 441.597 3.560 50 0 IHAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209888 568974254 /nfs/dbraw/zinc/97/42/54/568974254.db2.gz RUHFNUOGEUMMAG-NRFANRHFSA-N 0 0 448.007 3.639 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210027 568974536 /nfs/dbraw/zinc/97/45/36/568974536.db2.gz ZYXVULJWJNNXHM-IERDGZPVSA-N 0 0 435.996 3.638 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1cccc(F)c1 ZINC000064866786 568974803 /nfs/dbraw/zinc/97/48/03/568974803.db2.gz XEWUXUIWXYEXIV-UHFFFAOYSA-N 0 0 432.473 3.909 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)cc1OC ZINC000064868337 568975437 /nfs/dbraw/zinc/97/54/37/568975437.db2.gz 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O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 ZINC000036249164 568983072 /nfs/dbraw/zinc/98/30/72/568983072.db2.gz VQEPTKQEHQSEHC-UHFFFAOYSA-N 0 0 425.460 3.849 50 0 IHAARN COc1ccccc1C(=O)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C1CC1 ZINC000036249420 568983232 /nfs/dbraw/zinc/98/32/32/568983232.db2.gz WQLHEBQPROUZER-UHFFFAOYSA-N 0 0 433.508 3.992 50 0 IHAARN CC(C)CC(=O)N1CCN([C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252399 568984274 /nfs/dbraw/zinc/98/42/74/568984274.db2.gz YQRHZYCDHIAZAE-ILBGXUMGSA-N 0 0 425.617 3.929 50 0 IHAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)Nc2ccc(Cl)cc2F)n1C ZINC000064922884 568986165 /nfs/dbraw/zinc/98/61/65/568986165.db2.gz WPWMZDGTUCQNER-UHFFFAOYSA-N 0 0 427.929 3.799 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927640 568986747 /nfs/dbraw/zinc/98/67/47/568986747.db2.gz ZTUBKDWYXTTYBO-QHCPKHFHSA-N 0 0 446.526 3.782 50 0 IHAARN O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928008 568986809 /nfs/dbraw/zinc/98/68/09/568986809.db2.gz AVMXEBNRADMUJB-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)ncn2)cc1 ZINC000064929219 568988101 /nfs/dbraw/zinc/98/81/01/568988101.db2.gz VCTLBIRQJGQMAK-UHFFFAOYSA-N 0 0 436.581 3.888 50 0 IHAARN Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)ncn2)cc1 ZINC000064929211 568988127 /nfs/dbraw/zinc/98/81/27/568988127.db2.gz FHTKSDAVPCUSHN-UHFFFAOYSA-N 0 0 446.935 3.755 50 0 IHAARN O=C(COc1ccccc1)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929951 568988228 /nfs/dbraw/zinc/98/82/28/568988228.db2.gz RBENHGFQIIKULA-KRWDZBQOSA-N 0 0 426.473 3.672 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2C(=O)c2cccc(F)c2)s1 ZINC000064930318 568988611 /nfs/dbraw/zinc/98/86/11/568988611.db2.gz MJLFCQRZDJIBKJ-OAHLLOKOSA-N 0 0 440.456 3.636 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930312 568988656 /nfs/dbraw/zinc/98/86/56/568988656.db2.gz BTTJOQCBAPPGNZ-OAHLLOKOSA-N 0 0 440.456 3.636 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2C(=O)C2CCCCC2)s1 ZINC000064930277 568988694 /nfs/dbraw/zinc/98/86/94/568988694.db2.gz LAMYDCPSFGPCLL-OAHLLOKOSA-N 0 0 428.514 3.763 50 0 IHAARN CCOCCCNC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930466 568988853 /nfs/dbraw/zinc/98/88/53/568988853.db2.gz ZJQXPXWLXGFPEV-OAHLLOKOSA-N 0 0 437.953 3.717 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930968 568989199 /nfs/dbraw/zinc/98/91/99/568989199.db2.gz ZVKSUJRVCWOROD-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN O=C(NCc1ccccc1F)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681144 568991667 /nfs/dbraw/zinc/99/16/67/568991667.db2.gz DWXUTVFRBKWPFJ-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681157 568991669 /nfs/dbraw/zinc/99/16/69/568991669.db2.gz ZUZRSEZDYNAVTE-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000169681606 568992400 /nfs/dbraw/zinc/99/24/00/568992400.db2.gz QWHGJJNMUUWAIW-LADGPHEKSA-N 0 0 435.499 3.611 50 0 IHAARN O=C(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)NCc1ccccc1Cl ZINC000064945235 568993481 /nfs/dbraw/zinc/99/34/81/568993481.db2.gz YFSRUIWUALDHHB-UHFFFAOYSA-N 0 0 442.928 3.879 50 0 IHAARN O=c1n(Cc2ccccc2Cl)nc2n1c1ccsc1c(=O)n2CCc1ccccc1 ZINC000064946320 568994304 /nfs/dbraw/zinc/99/43/04/568994304.db2.gz DUQOPWZEJZFNGL-UHFFFAOYSA-N 0 0 436.924 3.817 50 0 IHAARN COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000064949304 568994875 /nfs/dbraw/zinc/99/48/75/568994875.db2.gz KHIMPOVGOCRCIY-UHFFFAOYSA-N 0 0 441.538 3.980 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1 ZINC000064947461 568995108 /nfs/dbraw/zinc/99/51/08/568995108.db2.gz INPQNHDSPADQIQ-UHFFFAOYSA-N 0 0 428.495 3.694 50 0 IHAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3cccc(-c4ccno4)c3)cc21 ZINC000064952226 568996705 /nfs/dbraw/zinc/99/67/05/568996705.db2.gz SCVXRMGBXJLCFU-UHFFFAOYSA-N 0 0 429.523 3.991 50 0 IHAARN O=C(Nc1ccccc1)N1CCN([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036310857 568996913 /nfs/dbraw/zinc/99/69/13/568996913.db2.gz GUIVGYZXHFVJNX-VWLOTQADSA-N 0 0 446.595 3.980 50 0 IHAARN Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCCC4)ccc32)cc1Cl ZINC000064956865 568999289 /nfs/dbraw/zinc/99/92/89/568999289.db2.gz CCOPYPTUCNVWEF-UHFFFAOYSA-N 0 0 440.935 3.841 50 0 IHAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ccccc43)C2)c1 ZINC000064958315 568999667 /nfs/dbraw/zinc/99/96/67/568999667.db2.gz UPTCEMPDPLGJLM-SFHVURJKSA-N 0 0 426.542 3.657 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3cccc(F)c3)c2n1 ZINC000064963728 569000835 /nfs/dbraw/zinc/00/08/35/569000835.db2.gz WZRGYLOSINCXTG-UHFFFAOYSA-N 0 0 430.439 3.735 50 0 IHAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3cccs3)c3ccccc32)cc1 ZINC000064971480 569076222 /nfs/dbraw/zinc/07/62/22/569076222.db2.gz QVGNYSWKCXLZQB-UHFFFAOYSA-N 0 0 434.521 3.758 50 0 IHAARN CC[C@H](C(=O)NCc1cccc(C)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970922 569076409 /nfs/dbraw/zinc/07/64/09/569076409.db2.gz RIMKKZVQGRNGEF-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3cccc(F)c3)c3ccccc32)cc1 ZINC000064971510 569076756 /nfs/dbraw/zinc/07/67/56/569076756.db2.gz XVQCUJLVJQXBQH-UHFFFAOYSA-N 0 0 446.482 3.836 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000064972459 569076873 /nfs/dbraw/zinc/07/68/73/569076873.db2.gz OLFWDDGGZMVWJU-QHCPKHFHSA-N 0 0 434.561 3.735 50 0 IHAARN COc1cc(C(=O)Nc2nn3c(nnc3-c3cccc(Cl)c3)s2)cc(OC)c1OC ZINC000064980478 569078570 /nfs/dbraw/zinc/07/85/70/569078570.db2.gz FEDTUNFVTKPGIU-UHFFFAOYSA-N 0 0 445.888 3.784 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000036342886 569079486 /nfs/dbraw/zinc/07/94/86/569079486.db2.gz QUHGQWVQCBZIRV-ZEQRLZLVSA-N 0 0 449.551 3.791 50 0 IHAARN CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036347104 569081529 /nfs/dbraw/zinc/08/15/29/569081529.db2.gz QOCBMSXJRZQKOC-QFIPXVFZSA-N 0 0 448.007 3.736 50 0 IHAARN O=C(Nc1c(F)cccc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985401 569081974 /nfs/dbraw/zinc/08/19/74/569081974.db2.gz SJTHFZAFNJVTMD-LJQANCHMSA-N 0 0 430.432 3.560 50 0 IHAARN O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985651 569081984 /nfs/dbraw/zinc/08/19/84/569081984.db2.gz AWYRLMNQGWKXRB-OAQYLSRUSA-N 0 0 442.924 3.613 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(C)c3)Oc3ccccc32)cc1 ZINC000064986228 569082340 /nfs/dbraw/zinc/08/23/40/569082340.db2.gz WPQJDTZMXNSULV-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(C)cc3)Oc3ccccc32)cc1 ZINC000064986231 569082364 /nfs/dbraw/zinc/08/23/64/569082364.db2.gz COXGNOSFZRBOTD-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 ZINC000064986227 569082383 /nfs/dbraw/zinc/08/23/83/569082383.db2.gz GDMRKYUHYABUQW-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)N1CCCCCC1 ZINC000064987302 569082459 /nfs/dbraw/zinc/08/24/59/569082459.db2.gz RXOXMQGJGJEYGH-UHFFFAOYSA-N 0 0 428.558 3.936 50 0 IHAARN COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(F)cc3)n1C)OCCCO2 ZINC000064986930 569082463 /nfs/dbraw/zinc/08/24/63/569082463.db2.gz ISMYOQSXNKRMFS-UHFFFAOYSA-N 0 0 444.488 3.522 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cnn4c3ncc3c4CC(C)(C)CC3=O)C[C@@H]2C)c1 ZINC000064987423 569082478 /nfs/dbraw/zinc/08/24/78/569082478.db2.gz KYTXXNVIFCVLQQ-KRWDZBQOSA-N 0 0 431.540 3.544 50 0 IHAARN CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3cc4c(cc3OC)OCCCO4)c21 ZINC000064987089 569082599 /nfs/dbraw/zinc/08/25/99/569082599.db2.gz YTTKONROYKEOTN-UHFFFAOYSA-N 0 0 436.508 3.893 50 0 IHAARN CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O)C1CCCCC1 ZINC000064987655 569082684 /nfs/dbraw/zinc/08/26/84/569082684.db2.gz CTYIYHONDAYFDT-UHFFFAOYSA-N 0 0 436.487 3.860 50 0 IHAARN O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988018 569082791 /nfs/dbraw/zinc/08/27/91/569082791.db2.gz CCCMNPXLSQVIKH-UHFFFAOYSA-N 0 0 426.885 3.931 50 0 IHAARN COc1ccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)o2)cc1OC ZINC000064987881 569082814 /nfs/dbraw/zinc/08/28/14/569082814.db2.gz YDPGCBVKWCHQOO-UHFFFAOYSA-N 0 0 449.916 3.859 50 0 IHAARN O=C(c1ccc(-c2ccc(N3CCCC3)nn2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000064989130 569082952 /nfs/dbraw/zinc/08/29/52/569082952.db2.gz SSMBCUUWDGURLD-UHFFFAOYSA-N 0 0 427.552 3.702 50 0 IHAARN COc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1OC ZINC000064989768 569083059 /nfs/dbraw/zinc/08/30/59/569083059.db2.gz FJFMABSGBSCKPX-UHFFFAOYSA-N 0 0 430.504 3.766 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000064990121 569083137 /nfs/dbraw/zinc/08/31/37/569083137.db2.gz XTVYBLHGIMNUNZ-UHFFFAOYSA-N 0 0 430.504 3.902 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064990003 569083145 /nfs/dbraw/zinc/08/31/45/569083145.db2.gz OSJLMPIFJBTXKF-UHFFFAOYSA-N 0 0 446.503 3.602 50 0 IHAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccccc4)s3)c2C)c1 ZINC000064998614 569085379 /nfs/dbraw/zinc/08/53/79/569085379.db2.gz CTTUEQYTQBNOKU-UHFFFAOYSA-N 0 0 433.537 3.989 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)cc1 ZINC000036359153 569085501 /nfs/dbraw/zinc/08/55/01/569085501.db2.gz PZLZNQCUVNHBBI-UHFFFAOYSA-N 0 0 430.555 3.938 50 0 IHAARN CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)c(Cl)c3)no2)c1=O ZINC000064998970 569085686 /nfs/dbraw/zinc/08/56/86/569085686.db2.gz YQFUTTUJQPORNZ-UHFFFAOYSA-N 0 0 428.851 3.854 50 0 IHAARN O=C(NC1CCCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000064999645 569086150 /nfs/dbraw/zinc/08/61/50/569086150.db2.gz HJUILQXBKHEWOB-UHFFFAOYSA-N 0 0 448.610 3.889 50 0 IHAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)Nc4ccccc4OC)ccc3c2=O)c1 ZINC000036365261 569086834 /nfs/dbraw/zinc/08/68/34/569086834.db2.gz ULNFNTXFCSWRMR-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c1 ZINC000065007884 569087411 /nfs/dbraw/zinc/08/74/11/569087411.db2.gz CLSHAAFARLEHIL-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C ZINC000036369815 569088384 /nfs/dbraw/zinc/08/83/84/569088384.db2.gz XEMZRAJRUBUMDE-UHFFFAOYSA-N 0 0 425.533 3.710 50 0 biogenic IHAARN COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C ZINC000036369856 569088439 /nfs/dbraw/zinc/08/84/39/569088439.db2.gz PSYXNDZIJNQLSH-UHFFFAOYSA-N 0 0 437.544 3.808 50 0 biogenic IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)c1 ZINC000065023722 569089505 /nfs/dbraw/zinc/08/95/05/569089505.db2.gz QDCMAESKUPPEON-IBGZPJMESA-N 0 0 432.524 3.694 50 0 IHAARN Cc1cccc(-c2cnc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nc2)c1 ZINC000065023839 569089519 /nfs/dbraw/zinc/08/95/19/569089519.db2.gz GXRWVMHVGVFMDM-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3)ccc21 ZINC000065026917 569089945 /nfs/dbraw/zinc/08/99/45/569089945.db2.gz JIMUYPMAXYEYDA-UHFFFAOYSA-N 0 0 434.536 3.878 50 0 biogenic IHAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026782 569089990 /nfs/dbraw/zinc/08/99/90/569089990.db2.gz CNIAOHAOVBCBQN-SFHVURJKSA-N 0 0 440.935 3.728 50 0 IHAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccccc1F ZINC000065062037 569096944 /nfs/dbraw/zinc/09/69/44/569096944.db2.gz LKTQYJYUOFBJJD-UHFFFAOYSA-N 0 0 430.954 3.648 50 0 IHAARN CCOc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccccc3)nn2)CC1 ZINC000065026156 569090970 /nfs/dbraw/zinc/09/09/70/569090970.db2.gz QNKLQUBUGGDUCI-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN Cc1cccc(N2CCN(c3ccc(SCC(=O)Nc4ccc(F)cc4)nn3)CC2)c1 ZINC000065026137 569091024 /nfs/dbraw/zinc/09/10/24/569091024.db2.gz VXHAMXTXYBCROQ-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN O=C(CN1CCc2[nH]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000065035014 569092485 /nfs/dbraw/zinc/09/24/85/569092485.db2.gz ZVEQGCVWFLPCIP-UHFFFAOYSA-N 0 0 443.862 3.501 50 0 IHAARN CC1CCN(C(=O)Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)CC1 ZINC000006867492 569093008 /nfs/dbraw/zinc/09/30/08/569093008.db2.gz FNAJWWUXDRPOAL-UHFFFAOYSA-N 0 0 425.554 3.901 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000169757845 569094038 /nfs/dbraw/zinc/09/40/38/569094038.db2.gz CDMPQDLFFSLXQU-LJQANCHMSA-N 0 0 446.290 3.818 50 0 IHAARN COc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)c(OC)c1 ZINC000065058738 569095533 /nfs/dbraw/zinc/09/55/33/569095533.db2.gz OFHFYQPCNCKTJW-DEOSSOPVSA-N 0 0 425.529 3.963 50 0 IHAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000065059328 569096080 /nfs/dbraw/zinc/09/60/80/569096080.db2.gz YFOQCRBCFULQIZ-RUZDIDTESA-N 0 0 440.609 3.981 50 0 IHAARN Cc1ccc(N2C[C@@H](c3noc(C4CCN(C(=O)c5ccccc5)CC4)n3)CC2=O)cc1 ZINC000169762100 569096515 /nfs/dbraw/zinc/09/65/15/569096515.db2.gz VFKDTGWLAFJDNY-FQEVSTJZSA-N 0 0 430.508 3.918 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1 ZINC000065063355 569097818 /nfs/dbraw/zinc/09/78/18/569097818.db2.gz XZVKGGGMMOOXFE-UHFFFAOYSA-N 0 0 441.509 3.822 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000036391791 569098247 /nfs/dbraw/zinc/09/82/47/569098247.db2.gz GFMCLZHQYBTHBN-NRFANRHFSA-N 0 0 445.947 3.550 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000036391790 569098259 /nfs/dbraw/zinc/09/82/59/569098259.db2.gz GFMCLZHQYBTHBN-OAQYLSRUSA-N 0 0 445.947 3.550 50 0 IHAARN COc1ccccc1OS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036396080 569099011 /nfs/dbraw/zinc/09/90/11/569099011.db2.gz VUUUVHJDDBSFRE-UHFFFAOYSA-N 0 0 434.491 3.539 50 0 IHAARN CC(C)c1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)c1 ZINC000065076700 569099870 /nfs/dbraw/zinc/09/98/70/569099870.db2.gz SHSKGCJEHZXCPQ-KRWDZBQOSA-N 0 0 430.508 3.597 50 0 IHAARN C[C@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077253 569100155 /nfs/dbraw/zinc/10/01/55/569100155.db2.gz QBPNWGGDRMDFQF-GFCCVEGCSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1cccc(C)c1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077300 569100181 /nfs/dbraw/zinc/10/01/81/569100181.db2.gz DMSXRGWURVAYBQ-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN CCc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077442 569100280 /nfs/dbraw/zinc/10/02/80/569100280.db2.gz PCUXKZVMNGJRSL-AWEZNQCLSA-N 0 0 432.567 3.874 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl ZINC000065077108 569100387 /nfs/dbraw/zinc/10/03/87/569100387.db2.gz XLZRZXKQPOMKBL-UHFFFAOYSA-N 0 0 438.958 3.885 50 0 IHAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000065078335 569100498 /nfs/dbraw/zinc/10/04/98/569100498.db2.gz XVDIZSPRYJSCHZ-CQSZACIVSA-N 0 0 432.567 3.732 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc2S1 ZINC000065077749 569100649 /nfs/dbraw/zinc/10/06/49/569100649.db2.gz CETOHANMGMYBDD-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)C1 ZINC000065080543 569101048 /nfs/dbraw/zinc/10/10/48/569101048.db2.gz SSRAEGSFQRMPRM-GOEBONIOSA-N 0 0 427.574 3.930 50 0 IHAARN COc1ccccc1-n1nnc(C(=O)NCCc2ccc(Cl)cc2)c1-c1ccncc1 ZINC000065082997 569102184 /nfs/dbraw/zinc/10/21/84/569102184.db2.gz LMPPVAGQBNWBKD-UHFFFAOYSA-N 0 0 433.899 3.964 50 0 IHAARN O=C(c1nnn(-c2ccc(F)cc2)c1-c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065083028 569102205 /nfs/dbraw/zinc/10/22/05/569102205.db2.gz OYAYHDDLGRKZNK-UHFFFAOYSA-N 0 0 446.461 3.570 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NCc2ccc(F)cc2)CO3)cc1 ZINC000065082707 569102423 /nfs/dbraw/zinc/10/24/23/569102423.db2.gz SNQPTTLAZABXQC-LJQANCHMSA-N 0 0 434.467 3.954 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1OC ZINC000065085174 569102714 /nfs/dbraw/zinc/10/27/14/569102714.db2.gz JAKFJWSVRZDNAF-UHFFFAOYSA-N 0 0 431.535 3.918 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1)N1CCN(c2ccccn2)CC1 ZINC000065085500 569102935 /nfs/dbraw/zinc/10/29/35/569102935.db2.gz DSORTBKMSNBSOZ-UHFFFAOYSA-N 0 0 447.969 3.592 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780657 569103087 /nfs/dbraw/zinc/10/30/87/569103087.db2.gz PXWZKECRRRLNBC-QHCPKHFHSA-N 0 0 436.531 3.580 50 0 IHAARN Cc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)o1 ZINC000065098549 569104119 /nfs/dbraw/zinc/10/41/19/569104119.db2.gz JKISTUCJVVDYEP-UHFFFAOYSA-N 0 0 438.962 3.579 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1 ZINC000065098922 569104324 /nfs/dbraw/zinc/10/43/24/569104324.db2.gz HERXSPHVMVLVSV-UHFFFAOYSA-N 0 0 446.554 3.639 50 0 IHAARN CCN(C(=O)CSc1nnc(-c2nc(-c3ccccc3)no2)n1C)c1cccc(C)c1 ZINC000065100026 569104882 /nfs/dbraw/zinc/10/48/82/569104882.db2.gz PJLWEFXWCLDJOV-UHFFFAOYSA-N 0 0 434.525 3.986 50 0 IHAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000065099396 569105165 /nfs/dbraw/zinc/10/51/65/569105165.db2.gz GSRFXFNWVWERLX-UHFFFAOYSA-N 0 0 432.553 3.600 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000006901528 569105680 /nfs/dbraw/zinc/10/56/80/569105680.db2.gz XCNSQLQUGKYOOQ-GOSISDBHSA-N 0 0 425.554 3.612 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)nc(NCc3cccs3)c3ccccc32)cc1 ZINC000065101967 569105995 /nfs/dbraw/zinc/10/59/95/569105995.db2.gz VDMUJVGCQSMKHX-UHFFFAOYSA-N 0 0 432.505 3.911 50 0 IHAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000065115875 569106979 /nfs/dbraw/zinc/10/69/79/569106979.db2.gz LRIWJDQSZHVENH-UHFFFAOYSA-N 0 0 442.497 3.676 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000065116108 569107130 /nfs/dbraw/zinc/10/71/30/569107130.db2.gz RPPHQDOEKUDSLX-UHFFFAOYSA-N 0 0 435.546 3.872 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1OC ZINC000065112238 569108012 /nfs/dbraw/zinc/10/80/12/569108012.db2.gz ZMHQSGXXIQMIIF-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)cc1 ZINC000065130217 569109084 /nfs/dbraw/zinc/10/90/84/569109084.db2.gz ZEMAXYGQKDGFQJ-UHFFFAOYSA-N 0 0 427.504 3.618 50 0 IHAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)c(C)c1 ZINC000065130125 569109085 /nfs/dbraw/zinc/10/90/85/569109085.db2.gz DHQPIHJRKIQGCT-HXUWFJFHSA-N 0 0 447.579 3.908 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)C1 ZINC000065133106 569109981 /nfs/dbraw/zinc/10/99/81/569109981.db2.gz WLYOGYXQNCPTEX-INIZCTEOSA-N 0 0 448.976 3.636 50 0 IHAARN O=C(Cn1c(=O)oc2ccc(C(=O)Nc3ccccc3)cc21)NCc1cccc(Cl)c1 ZINC000065138039 569110592 /nfs/dbraw/zinc/11/05/92/569110592.db2.gz ZTOMCIXZMIHLFY-UHFFFAOYSA-N 0 0 435.867 3.817 50 0 IHAARN O=C(CN1C(=O)[C@](O)(c2ccccc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000065155761 569111955 /nfs/dbraw/zinc/11/19/55/569111955.db2.gz PIAQOSHPTGXUNB-QFIPXVFZSA-N 0 0 437.293 3.670 50 0 IHAARN O=C(CN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2ccccc21)Nc1ccc(F)cc1F ZINC000065155455 569112464 /nfs/dbraw/zinc/11/24/64/569112464.db2.gz YYXVFYIBZWGUBU-JOCHJYFZSA-N 0 0 428.822 3.839 50 0 IHAARN CC(C)Cn1cc(CCNS(=O)(=O)c2cccc(Br)c2)c2cccnc21 ZINC000065163279 569112473 /nfs/dbraw/zinc/11/24/73/569112473.db2.gz LVVXIKBWCVINKG-UHFFFAOYSA-N 0 0 436.375 3.976 50 0 IHAARN O=S(=O)(c1ccccc1Br)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065169274 569112702 /nfs/dbraw/zinc/11/27/02/569112702.db2.gz GUQSUYFRDXLFSN-UHFFFAOYSA-N 0 0 430.327 3.653 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)CC1 ZINC000065165735 569113095 /nfs/dbraw/zinc/11/30/95/569113095.db2.gz VYCVALHNPWZLKJ-UHFFFAOYSA-N 0 0 436.556 3.606 50 0 IHAARN Cc1cccc(OCC(=O)N2CCCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000065172435 569113151 /nfs/dbraw/zinc/11/31/51/569113151.db2.gz YYTHUUVFYKSRIW-UHFFFAOYSA-N 0 0 440.931 3.812 50 0 IHAARN CC(C)N1CCn2c3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3nc2C1=O ZINC000065172521 569113165 /nfs/dbraw/zinc/11/31/65/569113165.db2.gz BFRXYWJVYWRDRN-UHFFFAOYSA-N 0 0 430.430 3.849 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1F ZINC000065179356 569113497 /nfs/dbraw/zinc/11/34/97/569113497.db2.gz RKDPNQVTSKFFMI-INIZCTEOSA-N 0 0 426.488 3.658 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@@H](COc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000065178881 569114554 /nfs/dbraw/zinc/11/45/54/569114554.db2.gz RNEDEQUSINKZGI-LJQANCHMSA-N 0 0 440.515 3.758 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(C(=O)NC3CCCC3)n2)CC1 ZINC000065199838 569115099 /nfs/dbraw/zinc/11/50/99/569115099.db2.gz WILFKLPXUARWJA-UHFFFAOYSA-N 0 0 432.977 3.740 50 0 IHAARN CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195557 569115470 /nfs/dbraw/zinc/11/54/70/569115470.db2.gz JOXHUCLBDSCFSQ-KRWDZBQOSA-N 0 0 435.549 3.699 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)no1 ZINC000065227713 569117518 /nfs/dbraw/zinc/11/75/18/569117518.db2.gz HGKHCTXCBCBDEW-INIZCTEOSA-N 0 0 425.920 3.880 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(OC)cc3)C2)no1 ZINC000065227788 569117535 /nfs/dbraw/zinc/11/75/35/569117535.db2.gz DZKLWLAVGSBTFT-FUHWJXTLSA-N 0 0 435.528 3.796 50 0 IHAARN O=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226349 569117913 /nfs/dbraw/zinc/11/79/13/569117913.db2.gz NVJMKJKKKGHHQU-UHFFFAOYSA-N 0 0 433.478 3.628 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5cccc(C)c5)CC4)CC3)o2)cc1 ZINC000065229575 569118168 /nfs/dbraw/zinc/11/81/68/569118168.db2.gz OKOJJKNGZPOGSZ-UHFFFAOYSA-N 0 0 445.567 3.919 50 0 IHAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N[C@@H](CO)Cc1ccccc1 ZINC000036569636 569118389 /nfs/dbraw/zinc/11/83/89/569118389.db2.gz OFJADOVMCOQXBB-HXUWFJFHSA-N 0 0 429.472 3.559 50 0 IHAARN COc1ccc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccc(C)cc3)s2)c(OC)c1 ZINC000065233007 569119104 /nfs/dbraw/zinc/11/91/04/569119104.db2.gz KRUGXOAVFXDXLI-UHFFFAOYSA-N 0 0 439.537 3.888 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(F)cc1N2C ZINC000065235415 569119249 /nfs/dbraw/zinc/11/92/49/569119249.db2.gz POTCXSTXRIDZEC-UHFFFAOYSA-N 0 0 432.883 3.692 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCC5)n4)ccn3n2)c(C)c1 ZINC000065235886 569119358 /nfs/dbraw/zinc/11/93/58/569119358.db2.gz SNJWVBRLBJQAFS-UHFFFAOYSA-N 0 0 432.528 3.587 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000036584199 569119829 /nfs/dbraw/zinc/11/98/29/569119829.db2.gz ZRFGYEOLMPCITA-PBQZTSCYSA-N 0 0 439.343 3.961 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(C)cc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239454 569120526 /nfs/dbraw/zinc/12/05/26/569120526.db2.gz BSOMXHKCPWYURS-UHFFFAOYSA-N 0 0 437.565 3.624 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239519 569120627 /nfs/dbraw/zinc/12/06/27/569120627.db2.gz QLTNQLNVICNXHN-UHFFFAOYSA-N 0 0 443.594 3.632 50 0 IHAARN CC(=O)Nc1cccc(C(=O)N2CCN(c3ccc(-c4nc(C)c(C)s4)cn3)CC2)c1 ZINC000065240793 569120842 /nfs/dbraw/zinc/12/08/42/569120842.db2.gz SKEKOFFWZATTFK-UHFFFAOYSA-N 0 0 435.553 3.743 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl ZINC000036601647 569121858 /nfs/dbraw/zinc/12/18/58/569121858.db2.gz LJUUEPJSOAJBBV-GOSISDBHSA-N 0 0 434.323 3.757 50 0 IHAARN CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000065242382 569122060 /nfs/dbraw/zinc/12/20/60/569122060.db2.gz JUKKPODWNCVLIR-QGZVFWFLSA-N 0 0 425.533 3.705 50 0 IHAARN COc1cc([C@H](CC(=O)NCCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731832 569126634 /nfs/dbraw/zinc/12/66/34/569126634.db2.gz MAXHIIIZXORFQC-IBGZPJMESA-N 0 0 437.492 3.639 50 0 biogenic IHAARN CCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5cccs5)nc4s3)CC2)CC1 ZINC000065272205 569128952 /nfs/dbraw/zinc/12/89/52/569128952.db2.gz KGHATSWIUJVXPD-UHFFFAOYSA-N 0 0 441.626 3.800 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC3)CC1 ZINC000065273245 569129351 /nfs/dbraw/zinc/12/93/51/569129351.db2.gz WSFXRBGLQMMNOC-HNNXBMFYSA-N 0 0 432.977 3.517 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccccc2CC)CC3)CC1 ZINC000065273492 569129615 /nfs/dbraw/zinc/12/96/15/569129615.db2.gz JEEZUQLTKLKDGI-QGZVFWFLSA-N 0 0 426.586 3.508 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cccc(CC)c2)CC3)CC1 ZINC000065273462 569129652 /nfs/dbraw/zinc/12/96/52/569129652.db2.gz UJYDBTVUXSHHJH-QGZVFWFLSA-N 0 0 426.586 3.508 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(F)cc4)nc32)cc1 ZINC000065293932 569130939 /nfs/dbraw/zinc/13/09/39/569130939.db2.gz BYFRQCGVTPDRKM-UHFFFAOYSA-N 0 0 439.516 3.691 50 0 IHAARN Cc1oc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc1C(=O)N1CCC(C)CC1 ZINC000065293835 569130959 /nfs/dbraw/zinc/13/09/59/569130959.db2.gz VMKJOUMNILPPND-UHFFFAOYSA-N 0 0 446.356 3.640 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccc4F)nc32)cc1 ZINC000065293961 569131014 /nfs/dbraw/zinc/13/10/14/569131014.db2.gz XXXWCINYVJZDLR-UHFFFAOYSA-N 0 0 439.516 3.691 50 0 IHAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000065295311 569131283 /nfs/dbraw/zinc/13/12/83/569131283.db2.gz VLNAPUDZSFTXGT-UHFFFAOYSA-N 0 0 432.450 3.542 50 0 IHAARN Cc1cc(Nc2cccc(C(=O)Nc3nccs3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000065301691 569132826 /nfs/dbraw/zinc/13/28/26/569132826.db2.gz HZRAZEQRLSIRSJ-UHFFFAOYSA-N 0 0 428.481 3.947 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000036686592 569132962 /nfs/dbraw/zinc/13/29/62/569132962.db2.gz AKGVSOAJIINHFW-UHFFFAOYSA-N 0 0 447.004 3.542 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)cc1 ZINC000065312403 569133748 /nfs/dbraw/zinc/13/37/48/569133748.db2.gz AJRPWFIAMCALJB-QGZVFWFLSA-N 0 0 427.936 3.703 50 0 IHAARN CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000065315499 569134086 /nfs/dbraw/zinc/13/40/86/569134086.db2.gz FMDICXRYFSQYTP-HNNXBMFYSA-N 0 0 427.480 3.850 50 0 IHAARN O=C(Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1)NC1CCCC1 ZINC000065315524 569134107 /nfs/dbraw/zinc/13/41/07/569134107.db2.gz JJDYEQBLSJJPKR-KRWDZBQOSA-N 0 0 427.549 3.521 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1F ZINC000065318864 569134530 /nfs/dbraw/zinc/13/45/30/569134530.db2.gz NCHIMHSCTFQDSO-UHFFFAOYSA-N 0 0 444.488 3.529 50 0 IHAARN CCc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318858 569134586 /nfs/dbraw/zinc/13/45/86/569134586.db2.gz JHGKDOSOQTYHCM-UHFFFAOYSA-N 0 0 440.525 3.644 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)cc1 ZINC000065318975 569134664 /nfs/dbraw/zinc/13/46/64/569134664.db2.gz WSBQEASFIAFUKR-UHFFFAOYSA-N 0 0 440.525 3.780 50 0 IHAARN O=C(N1CCN(c2ccc(-c3cccs3)nn2)CC1)C1(c2ccccc2)CCOCC1 ZINC000036700508 569135391 /nfs/dbraw/zinc/13/53/91/569135391.db2.gz WFVLECSWUSFYJR-UHFFFAOYSA-N 0 0 434.565 3.602 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC ZINC000036701690 569135555 /nfs/dbraw/zinc/13/55/55/569135555.db2.gz QXSDTSZGRXHZRE-CJMONDIMSA-N 0 0 441.919 3.997 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000036708847 569136126 /nfs/dbraw/zinc/13/61/26/569136126.db2.gz WWNWVSITAAZNAX-UHFFFAOYSA-N 0 0 442.463 3.761 50 0 IHAARN Cc1nc2c(c(N3CCC(NC(=O)COc4cccc(C(F)(F)F)c4)CC3)n1)CCCC2 ZINC000238818997 569136481 /nfs/dbraw/zinc/13/64/81/569136481.db2.gz CEAQSGLLRMLTOL-UHFFFAOYSA-N 0 0 448.489 3.847 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)n1 ZINC000065504799 569138879 /nfs/dbraw/zinc/13/88/79/569138879.db2.gz JXYPCGAVVFOCME-QGZVFWFLSA-N 0 0 443.931 3.625 50 0 IHAARN Cc1ccn2cc(CNC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)nc2c1 ZINC000065563752 569139212 /nfs/dbraw/zinc/13/92/12/569139212.db2.gz UJJZDZGANQKXJZ-INIZCTEOSA-N 0 0 434.443 3.781 50 0 IHAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000065623222 569140429 /nfs/dbraw/zinc/14/04/29/569140429.db2.gz FFRVDFYZJYEERU-OALUTQOASA-N 0 0 448.571 3.944 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)cc2c1C ZINC000170593343 569141191 /nfs/dbraw/zinc/14/11/91/569141191.db2.gz ZTFQXOLGCOWGON-RUZDIDTESA-N 0 0 444.579 3.734 50 0 IHAARN COc1ccc(OC)c2c1CN(C(=O)c1cc3ccc(Br)cc3[nH]1)C[C@H]2O ZINC000170593471 569141232 /nfs/dbraw/zinc/14/12/32/569141232.db2.gz SRVDKVDAXDTPKK-MRXNPFEDSA-N 0 0 431.286 3.637 50 0 IHAARN COC(=O)[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@@H]1c1ccc(F)cc1F ZINC000170595325 569141575 /nfs/dbraw/zinc/14/15/75/569141575.db2.gz NAXWCXHFPWRZBS-RTWAWAEBSA-N 0 0 441.474 3.832 50 0 IHAARN CC(=O)N(C)[C@H](C(=O)NC[C@H](c1ccccc1)C(C)(C)CO)c1c(F)cccc1Cl ZINC000170595821 569141725 /nfs/dbraw/zinc/14/17/25/569141725.db2.gz NEDRJUTVJWFCSY-UTKZUKDTSA-N 0 0 434.939 3.917 50 0 IHAARN C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000170596552 569141734 /nfs/dbraw/zinc/14/17/34/569141734.db2.gz QOJMGONMYUKNHN-PXNSSMCTSA-N 0 0 429.561 3.615 50 0 IHAARN CN(C(=O)c1c(F)cccc1I)c1cccc(Br)n1 ZINC000170598546 569142501 /nfs/dbraw/zinc/14/25/01/569142501.db2.gz GJMIKWUQSLZLIQ-UHFFFAOYSA-N 0 0 435.034 3.864 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C(=O)N(C)CC(F)(F)F ZINC000170609811 569144727 /nfs/dbraw/zinc/14/47/27/569144727.db2.gz ZTJOXRSNENSKSQ-TXEJJXNPSA-N 0 0 433.858 3.702 50 0 IHAARN CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)Cc2nc(-c3ccsc3)oc2C)n1C ZINC000170612305 569145937 /nfs/dbraw/zinc/14/59/37/569145937.db2.gz QFHUSBLBPXRUOO-SFHVURJKSA-N 0 0 426.542 3.706 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000170615744 569146597 /nfs/dbraw/zinc/14/65/97/569146597.db2.gz PRRDMMFBLAUBOK-OAHLLOKOSA-N 0 0 429.542 3.949 50 0 IHAARN CCn1c(-c2ccncc2)nnc1S(=O)(=O)CCCc1ccccc1Br ZINC000170617092 569146685 /nfs/dbraw/zinc/14/66/85/569146685.db2.gz ACNPSNPCSQENSW-UHFFFAOYSA-N 0 0 435.347 3.529 50 0 IHAARN NC(=O)[C@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000170617472 569147232 /nfs/dbraw/zinc/14/72/32/569147232.db2.gz SKCLCBYXPBJEKR-HSZRJFAPSA-N 0 0 435.549 3.604 50 0 IHAARN COc1cc(OC)cc([C@H](NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c2nccn2C)c1 ZINC000009883245 569150027 /nfs/dbraw/zinc/15/00/27/569150027.db2.gz PDJGKZQZDBZPDY-NRFANRHFSA-N 0 0 443.569 3.739 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(F)cc1 ZINC000071286788 569150934 /nfs/dbraw/zinc/15/09/34/569150934.db2.gz OMTMRBUUVJVULB-GESOSKEOSA-N 0 0 434.518 3.717 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000009996267 569151421 /nfs/dbraw/zinc/15/14/21/569151421.db2.gz SLZNGMJIQFBZDZ-AREMUKBSSA-N 0 0 441.487 3.617 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000010024072 569151423 /nfs/dbraw/zinc/15/14/23/569151423.db2.gz KCLYNJXJICHQOH-FQEVSTJZSA-N 0 0 444.553 3.512 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C(C)C)cc1 ZINC000010027802 569151798 /nfs/dbraw/zinc/15/17/98/569151798.db2.gz YGDKTZUNFVKQEN-JOCHJYFZSA-N 0 0 436.556 3.562 50 0 IHAARN COc1ccc([C@@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000010078616 569152603 /nfs/dbraw/zinc/15/26/03/569152603.db2.gz QXIXUTXFVNVULJ-HSZRJFAPSA-N 0 0 436.533 3.849 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010220604 569152935 /nfs/dbraw/zinc/15/29/35/569152935.db2.gz WMYCBXVWAVGRTE-UHFFFAOYSA-N 0 0 429.473 3.557 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000010220589 569152938 /nfs/dbraw/zinc/15/29/38/569152938.db2.gz SHXYCPLKNCSCMC-UHFFFAOYSA-N 0 0 428.514 3.636 50 0 IHAARN Cn1ccnc1-c1sc(NC(=O)C2CCN(c3ncccn3)CC2)nc1-c1ccccc1 ZINC000071793181 569154336 /nfs/dbraw/zinc/15/43/36/569154336.db2.gz BJTLFIUDLUYDSL-UHFFFAOYSA-N 0 0 445.552 3.856 50 0 IHAARN C[C@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1Cl ZINC000013572511 569155634 /nfs/dbraw/zinc/15/56/34/569155634.db2.gz ZAXUJUWHEXELPG-ZNMIVQPWSA-N 0 0 448.013 3.966 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccc(F)cc2)s1 ZINC000013575584 569155892 /nfs/dbraw/zinc/15/58/92/569155892.db2.gz DYNUXGZIZDKVPT-UHFFFAOYSA-N 0 0 431.514 3.805 50 0 IHAARN O=C(COC(=O)c1cccnc1S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000013579086 569156173 /nfs/dbraw/zinc/15/61/73/569156173.db2.gz OJEZZISCWMJGFV-FQEVSTJZSA-N 0 0 446.484 3.546 50 0 IHAARN O=C(Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1)N1CCOCC1 ZINC000013714445 569156813 /nfs/dbraw/zinc/15/68/13/569156813.db2.gz ZVFIRNVNWXILQW-UHFFFAOYSA-N 0 0 437.721 3.756 50 0 IHAARN O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013799967 569157194 /nfs/dbraw/zinc/15/71/94/569157194.db2.gz QWVDQZXUZBTDIY-UHFFFAOYSA-N 0 0 444.365 3.647 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1 ZINC000014099439 569157767 /nfs/dbraw/zinc/15/77/67/569157767.db2.gz ADXJEYKXSUXRQL-UHFFFAOYSA-N 0 0 426.119 3.638 50 0 IHAARN CSc1ncccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000014185771 569158091 /nfs/dbraw/zinc/15/80/91/569158091.db2.gz BJUUGPTZTFXPTQ-PTNGSMBKSA-N 0 0 433.942 3.923 50 0 IHAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cc(Cl)ccc1F ZINC000014268795 569158396 /nfs/dbraw/zinc/15/83/96/569158396.db2.gz OSVMHRNXTXWQBB-UHFFFAOYSA-N 0 0 437.858 3.913 50 0 IHAARN CCOc1ccc(C2=N/C(=C\c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc1OCC ZINC000014248383 569158411 /nfs/dbraw/zinc/15/84/11/569158411.db2.gz QJRAJCTXZUOMTK-YBEGLDIGSA-N 0 0 425.437 3.608 50 0 IHAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014368363 569158853 /nfs/dbraw/zinc/15/88/53/569158853.db2.gz XNPPLUSZUPAKOZ-IBGZPJMESA-N 0 0 449.598 3.519 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000014595129 569159378 /nfs/dbraw/zinc/15/93/78/569159378.db2.gz OVLSNBMIEWCUCP-INIZCTEOSA-N 0 0 448.475 3.635 50 0 IHAARN CC(=O)Nc1ccc(OC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000014627827 569159605 /nfs/dbraw/zinc/15/96/05/569159605.db2.gz AIPGTJWZPFIUTB-UHFFFAOYSA-N 0 0 444.553 3.577 50 0 IHAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(SC)cc4)no3)ccn2n1 ZINC000016842027 569163355 /nfs/dbraw/zinc/16/33/55/569163355.db2.gz SWKHURAMJGDACA-UHFFFAOYSA-N 0 0 445.504 3.992 50 0 IHAARN C[C@H]1CCCCN1C(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000016841520 569163384 /nfs/dbraw/zinc/16/33/84/569163384.db2.gz YJWNBZRAWQSSBW-KRWDZBQOSA-N 0 0 432.499 3.940 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1 ZINC000016843779 569163652 /nfs/dbraw/zinc/16/36/52/569163652.db2.gz LXFJGDWOJAMEEY-UHFFFAOYSA-N 0 0 439.468 3.874 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)C2=O)cc1 ZINC000016847625 569163995 /nfs/dbraw/zinc/16/39/95/569163995.db2.gz QYZQWIAJRDCIGI-UHFFFAOYSA-N 0 0 444.894 3.906 50 0 IHAARN COC(=O)c1cc(-c2cccs2)nc2c1c(-c1ccco1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850633 569164750 /nfs/dbraw/zinc/16/47/50/569164750.db2.gz ROIZLKXDXGLDNO-GFCCVEGCSA-N 0 0 443.506 3.566 50 0 IHAARN CCNC(=O)c1cc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)nc2ccccc21 ZINC000089977487 569169415 /nfs/dbraw/zinc/16/94/15/569169415.db2.gz LFTHFLUPNLGWIP-UHFFFAOYSA-N 0 0 440.503 3.896 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)c(OC)c1 ZINC000017011230 569170322 /nfs/dbraw/zinc/17/03/22/569170322.db2.gz QPJCJGKPNQRCRX-UHFFFAOYSA-N 0 0 430.464 3.667 50 0 IHAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1 ZINC000017026529 569171151 /nfs/dbraw/zinc/17/11/51/569171151.db2.gz KMSYUWUPRIVSSC-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 ZINC000017136102 569174495 /nfs/dbraw/zinc/17/44/95/569174495.db2.gz UZBOVPPAHVYIOB-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C(=O)Nc1ccc(Cl)cc1 ZINC000017155165 569174949 /nfs/dbraw/zinc/17/49/49/569174949.db2.gz YFQJMGRYLSTPDD-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000017169781 569175316 /nfs/dbraw/zinc/17/53/16/569175316.db2.gz PFAOODVUONXDCT-MRXNPFEDSA-N 0 0 425.915 3.705 50 0 IHAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000017170157 569175416 /nfs/dbraw/zinc/17/54/16/569175416.db2.gz SAQVYEKOGZEFKX-UHFFFAOYSA-N 0 0 442.518 3.871 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170251 569175434 /nfs/dbraw/zinc/17/54/34/569175434.db2.gz GKHSZPXJKZQUPX-GFCCVEGCSA-N 0 0 446.019 3.919 50 0 IHAARN O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000017192048 569175799 /nfs/dbraw/zinc/17/57/99/569175799.db2.gz GOKHZRKWMLAQSS-UHFFFAOYSA-N 0 0 441.406 3.659 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCC1=CCCCC1 ZINC000001059041 569176599 /nfs/dbraw/zinc/17/65/99/569176599.db2.gz XOMZJFJKXFBEHD-UHFFFAOYSA-N 0 0 440.993 3.900 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1cc(C)cc(C)c1 ZINC000001061595 569176618 /nfs/dbraw/zinc/17/66/18/569176618.db2.gz ZRUWWOMZCAXYEN-UHFFFAOYSA-N 0 0 430.570 3.875 50 0 IHAARN CCCCn1c(=O)n(S(=O)(=O)c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000002077414 569177077 /nfs/dbraw/zinc/17/70/77/569177077.db2.gz JSYKCMXVELCATR-UHFFFAOYSA-N 0 0 436.331 3.511 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1 ZINC000003612446 569177856 /nfs/dbraw/zinc/17/78/56/569177856.db2.gz VOJVHOLJGIJDGF-UHFFFAOYSA-N 0 0 427.482 3.783 50 0 IHAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092627 569178856 /nfs/dbraw/zinc/17/88/56/569178856.db2.gz NGPYAHHYZIPJHJ-LJQANCHMSA-N 0 0 443.521 3.635 50 0 biogenic IHAARN COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119401 569182840 /nfs/dbraw/zinc/18/28/40/569182840.db2.gz PNZVVNMGDOMIBA-RDJZCZTQSA-N 0 0 431.286 3.636 50 0 biogenic IHAARN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119403 569182848 /nfs/dbraw/zinc/18/28/48/569182848.db2.gz PNZVVNMGDOMIBA-DOTOQJQBSA-N 0 0 431.286 3.636 50 0 biogenic IHAARN CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OC ZINC000002132508 569185014 /nfs/dbraw/zinc/18/50/14/569185014.db2.gz BTYHVYXEVYVEEP-PBPSECFOSA-N 0 0 437.492 3.931 50 0 biogenic IHAARN O=c1c2cc(Cl)c(Br)cc2ncn1C[C@@H](O)CNc1ccc(Cl)cc1 ZINC000000638912 569185358 /nfs/dbraw/zinc/18/53/58/569185358.db2.gz LYOWLFIGVUWFEX-LBPRGKRZSA-N 0 0 443.128 3.939 50 0 IHAARN CCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000208130797 569189031 /nfs/dbraw/zinc/18/90/31/569189031.db2.gz KMGLCUSCTIDFPJ-CPJSRVTESA-N 0 0 434.540 3.713 50 0 IHAARN CSCC[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000252533180 569189748 /nfs/dbraw/zinc/18/97/48/569189748.db2.gz GERAOCZJKBYOKV-HXUWFJFHSA-N 0 0 449.580 3.674 50 0 IHAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)cc1OS(=O)(=O)C(C)C ZINC000037401026 569195024 /nfs/dbraw/zinc/19/50/24/569195024.db2.gz LRFBJFIZKDNSFX-SFHVURJKSA-N 0 0 441.590 3.756 50 0 IHAARN COCCNC(=O)CN(c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1OC ZINC000037438882 569196422 /nfs/dbraw/zinc/19/64/22/569196422.db2.gz ZQTRUVPUJIKELE-UHFFFAOYSA-N 0 0 427.526 3.728 50 0 IHAARN COc1ccc(Cn2c(C(=O)N3CCOCC3)cc3sc(Br)cc32)cc1 ZINC000037541793 569199764 /nfs/dbraw/zinc/19/97/64/569199764.db2.gz DMTMAMSYWGNTSI-UHFFFAOYSA-N 0 0 435.343 3.995 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(Cl)cc2)c1=O ZINC000037558064 569200804 /nfs/dbraw/zinc/20/08/04/569200804.db2.gz XYDGHTBVKXOOMQ-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c2c1OCO2 ZINC000066089604 569205647 /nfs/dbraw/zinc/20/56/47/569205647.db2.gz ACROJBDJGBUNOY-CYBMUJFWSA-N 0 0 427.844 3.746 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000066089730 569205724 /nfs/dbraw/zinc/20/57/24/569205724.db2.gz ZQMRLJXWRAPBKS-INIZCTEOSA-N 0 0 430.432 3.561 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)c(=Cc3ccoc3)sc2=N1 ZINC000252666303 569209575 /nfs/dbraw/zinc/20/95/75/569209575.db2.gz BBBDYXPIASBCAD-HXUWFJFHSA-N 0 0 447.541 3.528 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000252669068 569209786 /nfs/dbraw/zinc/20/97/86/569209786.db2.gz GKIVQYRQZVDMQG-HSZRJFAPSA-N 0 0 440.524 3.561 50 0 IHAARN CCCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 ZINC000002259734 569215486 /nfs/dbraw/zinc/21/54/86/569215486.db2.gz BLVGWRPNTJBBHA-STZFKDTASA-N 0 0 431.517 3.972 50 0 IHAARN Cn1c2nnc(SCC(=O)c3ccc(Cl)cc3)n2c2sc3c(c2c1=O)CCC3 ZINC000002260633 569215651 /nfs/dbraw/zinc/21/56/51/569215651.db2.gz FWVDAOQJFNOWPF-UHFFFAOYSA-N 0 0 430.942 3.760 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N([C@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000138953380 569258931 /nfs/dbraw/zinc/25/89/31/569258931.db2.gz ATTOXUAMESEZOQ-UGSOOPFHSA-N 0 0 448.441 3.974 50 0 IHAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000257357614 569263837 /nfs/dbraw/zinc/26/38/37/569263837.db2.gz PBLXVDNSLUFVHF-XMVXIILSSA-N 0 0 446.628 3.944 50 0 IHAARN COc1cc(Br)c(F)cc1S(=O)(=O)N(C)c1cccc2cccnc21 ZINC000253397380 569264682 /nfs/dbraw/zinc/26/46/82/569264682.db2.gz RYXCIJACTBSCTJ-UHFFFAOYSA-N 0 0 425.279 3.970 50 0 IHAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000253414876 569266275 /nfs/dbraw/zinc/26/62/75/569266275.db2.gz YWHPZDLQXMFJMT-HNNXBMFYSA-N 0 0 426.885 3.543 50 0 biogenic IHAARN Cc1ccn2cc(C(=O)O[C@@H]3CCCC[C@@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1 ZINC000253428965 569267629 /nfs/dbraw/zinc/26/76/29/569267629.db2.gz BOWUWKZKWHRDTR-BGYRXZFFSA-N 0 0 432.480 3.924 50 0 IHAARN Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc32)cc1 ZINC000002299368 569269200 /nfs/dbraw/zinc/26/92/00/569269200.db2.gz KQBCEQLPGNHZAA-UHFFFAOYSA-N 0 0 448.548 3.928 50 0 IHAARN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000253433130 569269271 /nfs/dbraw/zinc/26/92/71/569269271.db2.gz SLYIYKUKHPONNR-YPMHNXCESA-N 0 0 428.396 3.940 50 0 IHAARN CCc1cc2c3c(c1)C(CSc1nnnn1-c1ccccc1)=CC(C)(C)N3C(=O)C2=O ZINC000253495457 569283164 /nfs/dbraw/zinc/28/31/64/569283164.db2.gz FNBSZVGKPPSEHS-UHFFFAOYSA-N 0 0 431.521 3.722 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O ZINC000252506586 569288052 /nfs/dbraw/zinc/28/80/52/569288052.db2.gz WBEIBLAEUZKUHK-PGRDOPGGSA-N 0 0 449.551 3.941 50 0 IHAARN COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC ZINC000002365984 569288336 /nfs/dbraw/zinc/28/83/36/569288336.db2.gz YJCLNMFONCIAIZ-HUUCEWRRSA-N 0 0 430.306 3.786 50 0 IHAARN COc1cc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc(OC)c1OC ZINC000002375265 569289311 /nfs/dbraw/zinc/28/93/11/569289311.db2.gz DOCRICDFDRMCDT-GRSHGNNSSA-N 0 0 437.521 3.515 50 0 IHAARN CCOC(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000008888117 569291941 /nfs/dbraw/zinc/29/19/41/569291941.db2.gz BMRWOVBUNDJBEK-UHFFFAOYSA-N 0 0 436.288 3.900 50 0 IHAARN COc1ccc(C(C)=O)cc1COC(=O)C(=Cc1ccco1)n1nnnc1-c1ccccc1 ZINC000009959391 569298682 /nfs/dbraw/zinc/29/86/82/569298682.db2.gz CZMQKDSBBLOTSK-STZFKDTASA-N 0 0 444.447 3.886 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002400545 569299516 /nfs/dbraw/zinc/29/95/16/569299516.db2.gz CGMLYPMOYUVRPL-SFHVURJKSA-N 0 0 447.472 3.798 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002422857 569302210 /nfs/dbraw/zinc/30/22/10/569302210.db2.gz FLZSHEQGLFRKQL-MSOLQXFVSA-N 0 0 427.892 3.671 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000012938621 569305078 /nfs/dbraw/zinc/30/50/78/569305078.db2.gz JMISVXLJSFGGGF-UHFFFAOYSA-N 0 0 449.743 3.920 50 0 IHAARN COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC ZINC000013038012 569307792 /nfs/dbraw/zinc/30/77/92/569307792.db2.gz UGKXATPMPNCJNC-UHFFFAOYSA-N 0 0 432.586 3.642 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096367 569309600 /nfs/dbraw/zinc/30/96/00/569309600.db2.gz VVMOMEBYGVQMAO-OXJNMPFZSA-N 0 0 444.553 3.957 50 0 IHAARN CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000013114497 569310697 /nfs/dbraw/zinc/31/06/97/569310697.db2.gz JMYWPHZIASQSTK-UHFFFAOYSA-N 0 0 443.617 3.780 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013148409 569312031 /nfs/dbraw/zinc/31/20/31/569312031.db2.gz VKEUJVNNUUFNKU-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000013147560 569312079 /nfs/dbraw/zinc/31/20/79/569312079.db2.gz NVGOIMVBWSUETF-UHFFFAOYSA-N 0 0 429.423 3.945 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(OCC)c1OCC ZINC000013231600 569312514 /nfs/dbraw/zinc/31/25/14/569312514.db2.gz HOUUMUYLXCVWTB-UHFFFAOYSA-N 0 0 448.541 3.675 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)cc2C[C@@H]1C ZINC000013365836 569314239 /nfs/dbraw/zinc/31/42/39/569314239.db2.gz VVIZOPJVTXUJMD-INIZCTEOSA-N 0 0 428.554 3.739 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)cc2C[C@H]1C ZINC000013365878 569314253 /nfs/dbraw/zinc/31/42/53/569314253.db2.gz YUUMVSSDFOKGJA-CQSZACIVSA-N 0 0 434.945 3.830 50 0 IHAARN CCOC(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000013366350 569314340 /nfs/dbraw/zinc/31/43/40/569314340.db2.gz RREZELDBMSEFSX-DEOSSOPVSA-N 0 0 442.515 3.747 50 0 IHAARN COc1ccc2c(c1)CN(C(=O)Nc1cccc(C[S@](=O)C3CCOCC3)c1)CC2 ZINC000078814051 569319322 /nfs/dbraw/zinc/31/93/22/569319322.db2.gz JGHAFTOSOQNFRJ-SSEXGKCCSA-N 0 0 428.554 3.713 50 0 IHAARN CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 ZINC000078903430 569320220 /nfs/dbraw/zinc/32/02/20/569320220.db2.gz QGINRLRRAWNGQX-CYBMUJFWSA-N 0 0 445.392 3.770 50 0 IHAARN c1cnn([C@@H]2CCCC[C@@H]2Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000078967125 569320587 /nfs/dbraw/zinc/32/05/87/569320587.db2.gz ZKOFPAGHVHFMNR-ZWKOTPCHSA-N 0 0 438.601 3.805 50 0 IHAARN COC(=O)[C@@H](C)[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000078996194 569321761 /nfs/dbraw/zinc/32/17/61/569321761.db2.gz DGQJDKXCEFALPA-SJCJKPOMSA-N 0 0 434.286 3.501 50 0 IHAARN CCN(CCN(C)CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000079021469 569322457 /nfs/dbraw/zinc/32/24/57/569322457.db2.gz JLTITAAIAOGYRW-INIZCTEOSA-N 0 0 433.902 3.535 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079044777 569322991 /nfs/dbraw/zinc/32/29/91/569322991.db2.gz FPKFVPUOVVLARO-LLVKDONJSA-N 0 0 431.857 3.536 50 0 IHAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000079045197 569323065 /nfs/dbraw/zinc/32/30/65/569323065.db2.gz XOYWSKZHRRTAAP-OAQYLSRUSA-N 0 0 444.535 3.727 50 0 IHAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cc(OC)c4c(c3)OCCO4)n2)c1 ZINC000079054505 569323557 /nfs/dbraw/zinc/32/35/57/569323557.db2.gz CAISNIQMAOCXDP-LJQANCHMSA-N 0 0 435.480 3.842 50 0 IHAARN CCOc1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)ccc1OCc1cccnc1 ZINC000079110150 569326048 /nfs/dbraw/zinc/32/60/48/569326048.db2.gz WDCMLWIYKHUDAD-QFIPXVFZSA-N 0 0 433.508 3.886 50 0 IHAARN O=C1C[C@@H](N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019804879 569329744 /nfs/dbraw/zinc/32/97/44/569329744.db2.gz LBNNWMALJNOMGV-ANIGNSTFSA-N 0 0 444.362 3.956 50 0 IHAARN C[C@@H](c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000019817031 569329900 /nfs/dbraw/zinc/32/99/00/569329900.db2.gz HMNCIPXJIYDWKA-KRWDZBQOSA-N 0 0 439.471 3.557 50 0 IHAARN Cc1ccc(C)c(NC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2cc(C)ccc2C)c1 ZINC000019881176 569331610 /nfs/dbraw/zinc/33/16/10/569331610.db2.gz PGGAEOKPYOLUMY-WOJBJXKFSA-N 0 0 442.581 3.938 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1ccc(C)cn1)C(F)(F)F ZINC000019944470 569332341 /nfs/dbraw/zinc/33/23/41/569332341.db2.gz QVSDDQHQZNILGZ-INIZCTEOSA-N 0 0 436.217 3.970 50 0 IHAARN COc1cccc(-n2cc(C(=O)NCCC(=O)N3CCCCCC3)c3ccccc3c2=O)c1 ZINC000020103154 569333994 /nfs/dbraw/zinc/33/39/94/569333994.db2.gz OKZWHPUNVGPYSC-UHFFFAOYSA-N 0 0 447.535 3.522 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2OC(F)F)c(C)c1 ZINC000020133403 569335577 /nfs/dbraw/zinc/33/55/77/569335577.db2.gz LDFPPTGEURLKTD-GOSISDBHSA-N 0 0 426.427 3.819 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137170 569335815 /nfs/dbraw/zinc/33/58/15/569335815.db2.gz VUIDOEDHKMLRHR-PZJWPPBQSA-N 0 0 426.563 3.962 50 0 IHAARN O=S(=O)(Cc1cc(F)ccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826307 569353852 /nfs/dbraw/zinc/35/38/52/569353852.db2.gz HUBJJMZAEPLOLK-UHFFFAOYSA-N 0 0 446.523 3.998 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1 ZINC000390830569 569354200 /nfs/dbraw/zinc/35/42/00/569354200.db2.gz LXANWBZSUACAQE-UHFFFAOYSA-N 0 0 429.464 3.738 50 0 IHAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390831214 569354292 /nfs/dbraw/zinc/35/42/92/569354292.db2.gz QLXHORKGKMRCNU-UHFFFAOYSA-N 0 0 448.445 3.640 50 0 IHAARN COC(CNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)OC ZINC000020181025 569355217 /nfs/dbraw/zinc/35/52/17/569355217.db2.gz KZOLNJHZMCGFQL-WOJGMQOQSA-N 0 0 432.929 3.555 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280953 569358738 /nfs/dbraw/zinc/35/87/38/569358738.db2.gz VCTKJWVGWNMRJA-GOSISDBHSA-N 0 0 432.571 3.756 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CCC4(CC3)OCCO4)c12 ZINC000020283745 569358861 /nfs/dbraw/zinc/35/88/61/569358861.db2.gz IPMDNOCWEYOZHR-UHFFFAOYSA-N 0 0 426.904 3.670 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)NCCc3ccc(C)cc3)C(C)C)cc2s1 ZINC000020326241 569360527 /nfs/dbraw/zinc/36/05/27/569360527.db2.gz DCNMPVLVEJYFNS-NRFANRHFSA-N 0 0 445.610 3.575 50 0 IHAARN COc1cc(C2=NO[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000020328209 569360569 /nfs/dbraw/zinc/36/05/69/569360569.db2.gz JBJWRDIVOSIUEL-KRWDZBQOSA-N 0 0 440.374 3.743 50 0 IHAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCCCc1ccccc1 ZINC000020355493 569361351 /nfs/dbraw/zinc/36/13/51/569361351.db2.gz FXAPYIAFDHKYCH-UHFFFAOYSA-N 0 0 446.956 3.967 50 0 IHAARN CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC4(CC3)OCCO4)c2c1 ZINC000020380856 569362482 /nfs/dbraw/zinc/36/24/82/569362482.db2.gz NPFJGLSJSLSPIC-UHFFFAOYSA-N 0 0 438.549 3.973 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346333 569362915 /nfs/dbraw/zinc/36/29/15/569362915.db2.gz QZUZSHIGDCGUIA-UHFFFAOYSA-N 0 0 447.564 3.882 50 0 IHAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000020397441 569363432 /nfs/dbraw/zinc/36/34/32/569363432.db2.gz NBWSDPYECNEGRT-OAQYLSRUSA-N 0 0 437.565 3.880 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@H]43)CC2)c2ccccc12 ZINC000095410791 569365343 /nfs/dbraw/zinc/36/53/43/569365343.db2.gz AWUULEBLJRQDCC-AUSIDOKSSA-N 0 0 436.552 3.728 50 0 IHAARN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000095418679 569365405 /nfs/dbraw/zinc/36/54/05/569365405.db2.gz WMSMQOYMCAPENW-GOSISDBHSA-N 0 0 443.931 3.552 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC000095426894 569365943 /nfs/dbraw/zinc/36/59/43/569365943.db2.gz IRAIEGFTUPDLTE-GFCCVEGCSA-N 0 0 438.937 3.912 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H]2OCCc3ccccc32)c1 ZINC000095432519 569366449 /nfs/dbraw/zinc/36/64/49/569366449.db2.gz PDAKVYHVKOOAJL-JOCHJYFZSA-N 0 0 446.569 3.757 50 0 IHAARN CC(C)(C)[C@@H](NCc1csc(COc2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 ZINC000095432574 569366452 /nfs/dbraw/zinc/36/64/52/569366452.db2.gz PYXBROMJUONURA-INIZCTEOSA-N 0 0 425.518 3.767 50 0 IHAARN CN(C(=O)CCNC(=O)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000095453988 569368263 /nfs/dbraw/zinc/36/82/63/569368263.db2.gz OAYWSXSBHQCRQU-SFHVURJKSA-N 0 0 431.577 3.829 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(C(=O)c2nc3ccccc3c(OCC3CC3)n2)CC1 ZINC000095468813 569371429 /nfs/dbraw/zinc/37/14/29/569371429.db2.gz KXWAGQWFDLIAKK-UHFFFAOYSA-N 0 0 444.535 3.762 50 0 IHAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1I ZINC000095471729 569371991 /nfs/dbraw/zinc/37/19/91/569371991.db2.gz LRMIZLFLCLYSLO-UHFFFAOYSA-N 0 0 439.640 3.925 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)NCCCc3nnc4ccccn43)s2)cc1OC ZINC000095472898 569372366 /nfs/dbraw/zinc/37/23/66/569372366.db2.gz BFHWUBSFOXCXBV-UHFFFAOYSA-N 0 0 437.525 3.541 50 0 IHAARN COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095474993 569372593 /nfs/dbraw/zinc/37/25/93/569372593.db2.gz HZJVATAYCVUHNK-AWEZNQCLSA-N 0 0 434.901 3.720 50 0 IHAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000095944079 569375706 /nfs/dbraw/zinc/37/57/06/569375706.db2.gz HXXFERJCBLCPIV-OAHLLOKOSA-N 0 0 433.574 3.607 50 0 IHAARN O=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)c2cc(Br)ccc2N1 ZINC000095946298 569376080 /nfs/dbraw/zinc/37/60/80/569376080.db2.gz IENVSDDXWOBKGI-UHFFFAOYSA-N 0 0 436.114 3.903 50 0 IHAARN Cn1cc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cn1 ZINC000095954493 569376829 /nfs/dbraw/zinc/37/68/29/569376829.db2.gz OYRCYIYGZDHRAZ-UHFFFAOYSA-N 0 0 434.569 3.579 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000095954694 569376830 /nfs/dbraw/zinc/37/68/30/569376830.db2.gz BMJPYELANAUNQS-UHFFFAOYSA-N 0 0 434.540 3.585 50 0 IHAARN O=C(C[C@@H]1COCCN1S(=O)(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000095996954 569378865 /nfs/dbraw/zinc/37/88/65/569378865.db2.gz XVNYFSFWLLCNRC-GFCCVEGCSA-N 0 0 434.366 3.859 50 0 IHAARN O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000096004658 569379358 /nfs/dbraw/zinc/37/93/58/569379358.db2.gz BHLRVRYKNWWCAX-HSZRJFAPSA-N 0 0 436.556 3.686 50 0 IHAARN CCN1c2ccc(C)cc2[C@H](NC(=O)c2cccc(I)c2C)C1=O ZINC000096008236 569379628 /nfs/dbraw/zinc/37/96/28/569379628.db2.gz RWVUFDLJYJOLSO-KRWDZBQOSA-N 0 0 434.277 3.746 50 0 IHAARN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)c12 ZINC000096011132 569379706 /nfs/dbraw/zinc/37/97/06/569379706.db2.gz PXNWOHRJWVZKNJ-QGZVFWFLSA-N 0 0 449.490 3.508 50 0 IHAARN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000096012088 569380038 /nfs/dbraw/zinc/38/00/38/569380038.db2.gz POMZLHVHOGOSDQ-IBGZPJMESA-N 0 0 446.555 3.626 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096024418 569380572 /nfs/dbraw/zinc/38/05/72/569380572.db2.gz IMBKJGDINFSPAQ-UHFFFAOYSA-N 0 0 440.525 3.793 50 0 IHAARN Cc1s/c(=N\C(=O)c2cccc(C)c2)n(Cc2ccccc2C(=O)N2CCOCC2)c1C ZINC000096096071 569381186 /nfs/dbraw/zinc/38/11/86/569381186.db2.gz ZXWNUNNZSKWTJJ-QPLCGJKRSA-N 0 0 449.576 3.737 50 0 IHAARN COc1ccc(CCNC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096097001 569381390 /nfs/dbraw/zinc/38/13/90/569381390.db2.gz VQXNUFKULBPHTN-UHFFFAOYSA-N 0 0 434.334 3.648 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099910 569381728 /nfs/dbraw/zinc/38/17/28/569381728.db2.gz QLOKKGVKRMGTKM-UHFFFAOYSA-N 0 0 439.559 3.530 50 0 IHAARN O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105563 569382462 /nfs/dbraw/zinc/38/24/62/569382462.db2.gz IKSOXXRLRDGODR-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)cc1 ZINC000096114446 569382883 /nfs/dbraw/zinc/38/28/83/569382883.db2.gz YGVNYXWDCIFMJB-UHFFFAOYSA-N 0 0 426.472 3.671 50 0 biogenic IHAARN O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1(c2ccccc2)CCOCC1 ZINC000096121507 569385026 /nfs/dbraw/zinc/38/50/26/569385026.db2.gz SFHMWAVXYVRDBZ-UHFFFAOYSA-N 0 0 430.552 3.689 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)n(C)n2)c1 ZINC000096123535 569385292 /nfs/dbraw/zinc/38/52/92/569385292.db2.gz GTEWLSVKZBCPHB-HSZRJFAPSA-N 0 0 427.476 3.535 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](Cc3nc4cccnc4n3C(C)C)C2)cc1 ZINC000096124987 569385614 /nfs/dbraw/zinc/38/56/14/569385614.db2.gz ZOECJUYSYZGWKM-QGZVFWFLSA-N 0 0 428.558 3.664 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000096211471 569386696 /nfs/dbraw/zinc/38/66/96/569386696.db2.gz MDUONXNAVHMLPA-HXUWFJFHSA-N 0 0 440.544 3.851 50 0 IHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccc3c(c2)OCO3)COC12CCCCC2 ZINC000096274298 569388138 /nfs/dbraw/zinc/38/81/38/569388138.db2.gz MTJAPWGZDIIYPO-FQEVSTJZSA-N 0 0 436.508 3.542 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000096287069 569390345 /nfs/dbraw/zinc/39/03/45/569390345.db2.gz PWSWRZIHJUSABO-RTBURBONSA-N 0 0 426.538 3.779 50 0 IHAARN COc1ccc(-c2noc([C@H](NC(=O)COCc3ccccc3)C(C)C)n2)cc1OC ZINC000096293021 569391472 /nfs/dbraw/zinc/39/14/72/569391472.db2.gz MDGOHCMCHGOUHX-OAQYLSRUSA-N 0 0 425.485 3.784 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000096317028 569393012 /nfs/dbraw/zinc/39/30/12/569393012.db2.gz QRAZMBXFYXCOFA-UHFFFAOYSA-N 0 0 448.608 3.754 50 0 IHAARN CC[C@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317387 569393277 /nfs/dbraw/zinc/39/32/77/569393277.db2.gz GSTSEJASZYDEAI-HNNXBMFYSA-N 0 0 448.970 3.977 50 0 IHAARN CCc1nc(CN(Cc2ccco2)C(=O)NC(C)C)[nH]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317647 569393559 /nfs/dbraw/zinc/39/35/59/569393559.db2.gz HOJKBWFXQONYJS-UHFFFAOYSA-N 0 0 438.528 3.645 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C)nc(C(C)C)c2Cc2ccc(F)cc2)CC1 ZINC000096317704 569393574 /nfs/dbraw/zinc/39/35/74/569393574.db2.gz MGKUDWUKDHNOHR-UHFFFAOYSA-N 0 0 434.581 3.500 50 0 IHAARN Cc1[nH]c(C(=O)Nc2ccc(Br)c(C)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000096319989 569393923 /nfs/dbraw/zinc/39/39/23/569393923.db2.gz VRMNOWCASFABKC-UHFFFAOYSA-N 0 0 440.363 3.739 50 0 IHAARN O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000096322246 569394530 /nfs/dbraw/zinc/39/45/30/569394530.db2.gz GPTIDZQDQDXQEJ-UHFFFAOYSA-N 0 0 447.838 3.643 50 0 IHAARN Cc1noc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)c1C ZINC000096323567 569395399 /nfs/dbraw/zinc/39/53/99/569395399.db2.gz DGSAVBWRRAXQHG-UHFFFAOYSA-N 0 0 435.546 3.978 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000096324640 569395945 /nfs/dbraw/zinc/39/59/45/569395945.db2.gz OUJIZPNUWHJCKV-HNNXBMFYSA-N 0 0 439.903 3.625 50 0 IHAARN COc1cccc(NC(=O)CN2CCc3[nH]c4c(OC)ccc(Cl)c4c(=O)c3C2)c1 ZINC000096326894 569396289 /nfs/dbraw/zinc/39/62/89/569396289.db2.gz YERDUZCKFQVVBI-UHFFFAOYSA-N 0 0 427.888 3.608 50 0 IHAARN CCOC(=O)C[C@@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1O ZINC000096335752 569396634 /nfs/dbraw/zinc/39/66/34/569396634.db2.gz RXNSPIVYCQRWPX-IBGZPJMESA-N 0 0 442.439 3.641 50 0 IHAARN COc1ccc(NC(=O)N2CCN(Cc3nc4cc(Cl)ccc4o3)CC2)cc1OC ZINC000096358545 569397525 /nfs/dbraw/zinc/39/75/25/569397525.db2.gz YDZIODDXLSJCIA-UHFFFAOYSA-N 0 0 430.892 3.848 50 0 IHAARN CCOc1ccc(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000096386417 569398526 /nfs/dbraw/zinc/39/85/26/569398526.db2.gz UTFAJGMSDVRXRT-UHFFFAOYSA-N 0 0 440.544 3.938 50 0 IHAARN O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2)N1CCCC1 ZINC000096398340 569399579 /nfs/dbraw/zinc/39/95/79/569399579.db2.gz NHJQUEQXUHCXAE-KRWDZBQOSA-N 0 0 441.572 3.577 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000096398377 569399705 /nfs/dbraw/zinc/39/97/05/569399705.db2.gz QQBXOOWIXCZJMK-MRXNPFEDSA-N 0 0 426.538 3.524 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000096399480 569400062 /nfs/dbraw/zinc/40/00/62/569400062.db2.gz FDICGOVFUSCDAB-UHFFFAOYSA-N 0 0 437.568 3.716 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)NCCC4=CCCCC4)CC3)n2)cc1 ZINC000096941300 569402678 /nfs/dbraw/zinc/40/26/78/569402678.db2.gz IWYSIUINLZRYDM-HXUWFJFHSA-N 0 0 437.588 3.558 50 0 IHAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000225548390 569404147 /nfs/dbraw/zinc/40/41/47/569404147.db2.gz WJUMYCDBFQORFT-UHFFFAOYSA-N 0 0 444.457 3.983 50 0 IHAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000002487012 569405072 /nfs/dbraw/zinc/40/50/72/569405072.db2.gz WKDJGWYHAFCUHD-FQEVSTJZSA-N 0 0 432.542 3.943 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000027996276 569405671 /nfs/dbraw/zinc/40/56/71/569405671.db2.gz WRFYHDQNSZUINZ-UHFFFAOYSA-N 0 0 433.917 3.844 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O ZINC000002622453 569411204 /nfs/dbraw/zinc/41/12/04/569411204.db2.gz VMNPJYGNMUEQOD-SANMLTNESA-N 0 0 427.504 3.750 50 0 IHAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)C1 ZINC000002639673 569413349 /nfs/dbraw/zinc/41/33/49/569413349.db2.gz ANKHTAHIHBEHOT-CYBMUJFWSA-N 0 0 425.579 3.943 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1 ZINC000215727487 569414229 /nfs/dbraw/zinc/41/42/29/569414229.db2.gz GGJRTXSAUCMMRQ-FQEVSTJZSA-N 0 0 446.334 3.650 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 ZINC000215725634 569414242 /nfs/dbraw/zinc/41/42/42/569414242.db2.gz MXOQXRIZWDRRPH-FQEVSTJZSA-N 0 0 446.334 3.650 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1cccs1 ZINC000002646458 569414254 /nfs/dbraw/zinc/41/42/54/569414254.db2.gz JZZBXONPJXILMZ-UHFFFAOYSA-N 0 0 425.539 3.871 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c2c1[C@H](C)CC2=O ZINC000230015759 569417482 /nfs/dbraw/zinc/41/74/82/569417482.db2.gz OTNWBMMBHCSSIZ-PMPSAXMXSA-N 0 0 443.569 3.768 50 0 IHAARN COC(=O)[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000002706333 569417571 /nfs/dbraw/zinc/41/75/71/569417571.db2.gz NLMTVVOSYSSFTF-CQSZACIVSA-N 0 0 445.570 3.629 50 0 IHAARN CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 ZINC000002706267 569417630 /nfs/dbraw/zinc/41/76/30/569417630.db2.gz XOODSZJVYNIGDP-UHFFFAOYSA-N 0 0 443.598 3.875 50 0 IHAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)NCc1ccc2c(c1)OCO2 ZINC000002725923 569418513 /nfs/dbraw/zinc/41/85/13/569418513.db2.gz HIABGISVECJBMF-UHFFFAOYSA-N 0 0 437.452 3.921 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000002765911 569420648 /nfs/dbraw/zinc/42/06/48/569420648.db2.gz ZUAQDVFRLVNIDI-UHFFFAOYSA-N 0 0 446.532 3.976 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000002800237 569422263 /nfs/dbraw/zinc/42/22/63/569422263.db2.gz PVKMFEHVUSSCNW-UHFFFAOYSA-N 0 0 434.473 3.784 50 0 IHAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cccc(COCC(F)(F)F)c1 ZINC000002805078 569422590 /nfs/dbraw/zinc/42/25/90/569422590.db2.gz QGMHNLANWMAUQR-UHFFFAOYSA-N 0 0 444.431 3.663 50 0 IHAARN COc1cc(CNc2ccc(N3CCCC3)cc2)cc(Br)c1OCC(N)=O ZINC000002836412 569423213 /nfs/dbraw/zinc/42/32/13/569423213.db2.gz ZQJRFEVMRMFDPN-UHFFFAOYSA-N 0 0 434.334 3.534 50 0 IHAARN COc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC ZINC000002914225 569424943 /nfs/dbraw/zinc/42/49/43/569424943.db2.gz XREUNLFAODWNKC-CABCVRRESA-N 0 0 446.305 3.608 50 0 IHAARN CCc1ccccc1-n1c(N)c2c(C)nnc-2nc1SCC(=O)NCc1ccccc1 ZINC000002927470 569425873 /nfs/dbraw/zinc/42/58/73/569425873.db2.gz NXXMSWGKHWCPPO-UHFFFAOYSA-N 0 0 432.553 3.507 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)CC1 ZINC000056907810 569427531 /nfs/dbraw/zinc/42/75/31/569427531.db2.gz MWNWITRCNPHVNA-UHFFFAOYSA-N 0 0 429.542 3.950 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000057050777 569429292 /nfs/dbraw/zinc/42/92/92/569429292.db2.gz AVDVSUJBTSNMQV-UHFFFAOYSA-N 0 0 434.540 3.640 50 0 IHAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000029794838 569433590 /nfs/dbraw/zinc/43/35/90/569433590.db2.gz SWRDSIBRIUPPOG-UHFFFAOYSA-N 0 0 438.534 3.756 50 0 IHAARN C[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000002981884 569434278 /nfs/dbraw/zinc/43/42/78/569434278.db2.gz CWQLNBKLFKBGNE-PAJXCOJRSA-N 0 0 446.478 3.845 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)c1 ZINC000057426989 569434719 /nfs/dbraw/zinc/43/47/19/569434719.db2.gz CQLXGOKEXIXCJO-UHFFFAOYSA-N 0 0 433.533 3.837 50 0 IHAARN O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1cccc(Cl)c1 ZINC000057429136 569435038 /nfs/dbraw/zinc/43/50/38/569435038.db2.gz FIGPCQHLLHWUQF-UHFFFAOYSA-N 0 0 446.854 3.505 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)n[nH]1 ZINC000057472738 569435645 /nfs/dbraw/zinc/43/56/45/569435645.db2.gz CPXVBJPGTMZIHT-UHFFFAOYSA-N 0 0 439.928 3.861 50 0 IHAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000057478586 569435883 /nfs/dbraw/zinc/43/58/83/569435883.db2.gz BRSBPSPNZZKLQZ-UHFFFAOYSA-N 0 0 431.539 3.964 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(F)c2)c1 ZINC000003023325 569436138 /nfs/dbraw/zinc/43/61/38/569436138.db2.gz BHMJSMVWHZGZAT-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)Nc1ccc(Cl)cc1F)c2=O ZINC000057486472 569436508 /nfs/dbraw/zinc/43/65/08/569436508.db2.gz QTMWOLCUODEMAN-UHFFFAOYSA-N 0 0 446.269 3.975 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc2c(c1)OCO2 ZINC000057486772 569436554 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IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000057490671 569437227 /nfs/dbraw/zinc/43/72/27/569437227.db2.gz FXMYJRKOKFGDDK-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1C ZINC000057491032 569437278 /nfs/dbraw/zinc/43/72/78/569437278.db2.gz RPFJOTPGSZZGMJ-UHFFFAOYSA-N 0 0 437.565 3.837 50 0 IHAARN Cc1ccc(F)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000057491983 569437429 /nfs/dbraw/zinc/43/74/29/569437429.db2.gz VQOVTAKNWMTGDV-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)cc3C)c2=O)cc1 ZINC000057492822 569437496 /nfs/dbraw/zinc/43/74/96/569437496.db2.gz RYUOTPVJZAXIEO-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN Cc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(N2CCc3ccccc3C2)n1 ZINC000057506447 569438267 /nfs/dbraw/zinc/43/82/67/569438267.db2.gz QOOOENSQHUOKHT-UHFFFAOYSA-N 0 0 442.441 3.772 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cc(C)ccc3C)c(N)n2)cc1 ZINC000057510461 569438357 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3.990 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(N(C)C)c2)cc1 ZINC000003192384 569441520 /nfs/dbraw/zinc/44/15/20/569441520.db2.gz ALYDNBNMNDMZIL-XMMPIXPASA-N 0 0 449.576 3.815 50 0 IHAARN O=S(=O)(c1ccc(SCCCc2nc(-c3ccccc3)no2)nc1)N1CCCC1 ZINC000057946209 569443377 /nfs/dbraw/zinc/44/33/77/569443377.db2.gz DYMIOPNZHYMQMG-UHFFFAOYSA-N 0 0 430.555 3.641 50 0 IHAARN O=C(OCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccs1 ZINC000003268639 569443447 /nfs/dbraw/zinc/44/34/47/569443447.db2.gz UIJFELPQYGKNDA-UJKMTWAASA-N 0 0 429.497 3.797 50 0 IHAARN COCCCNC(=O)CN(C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000057986453 569443977 /nfs/dbraw/zinc/44/39/77/569443977.db2.gz BYUZFRLODRTNPE-FQEVSTJZSA-N 0 0 438.355 3.758 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(C)cc2)cc1 ZINC000003286438 569444105 /nfs/dbraw/zinc/44/41/05/569444105.db2.gz IUVOALAAXQYPEL-UHFFFAOYSA-N 0 0 438.553 3.592 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000003294881 569444586 /nfs/dbraw/zinc/44/45/86/569444586.db2.gz CNTHVHGFSSEVNG-UHFFFAOYSA-N 0 0 425.464 3.745 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)sc2c1CCCC2 ZINC000003300191 569444998 /nfs/dbraw/zinc/44/49/98/569444998.db2.gz ZNFAEJVAVMPIKS-UHFFFAOYSA-N 0 0 444.528 3.859 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nnco3)cc2)ccc1Cl ZINC000003309669 569445429 /nfs/dbraw/zinc/44/54/29/569445429.db2.gz APNSGYOEXWSVQC-UHFFFAOYSA-N 0 0 435.889 3.640 50 0 IHAARN COc1cc(OC)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000003315911 569445720 /nfs/dbraw/zinc/44/57/20/569445720.db2.gz WIELUQNJBNAHSR-UHFFFAOYSA-N 0 0 435.476 3.775 50 0 IHAARN O=C(Nc1cccnc1Oc1ccccc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000058112200 569447895 /nfs/dbraw/zinc/44/78/95/569447895.db2.gz GVAVBUOAFRYOKV-UHFFFAOYSA-N 0 0 438.450 3.992 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O ZINC000003362492 569447970 /nfs/dbraw/zinc/44/79/70/569447970.db2.gz KJKOAOMETJYUIJ-FQEVSTJZSA-N 0 0 448.292 3.774 50 0 IHAARN CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000058138319 569448424 /nfs/dbraw/zinc/44/84/24/569448424.db2.gz YLTUFFHWLGVHLQ-QDEBQFNMSA-N 0 0 442.563 3.986 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)sc2c1CCC2 ZINC000003380032 569448814 /nfs/dbraw/zinc/44/88/14/569448814.db2.gz CXJCQNJXGCFFKM-UHFFFAOYSA-N 0 0 436.489 3.924 50 0 IHAARN COc1cc(C(=O)OCC(=O)Nc2ccccc2Br)cc(Cl)c1OC ZINC000003381473 569448829 /nfs/dbraw/zinc/44/88/29/569448829.db2.gz RECYUIPTFHFZPF-UHFFFAOYSA-N 0 0 428.666 3.915 50 0 IHAARN CN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1F ZINC000058159785 569449151 /nfs/dbraw/zinc/44/91/51/569449151.db2.gz RVRUXKNOXILEJY-UHFFFAOYSA-N 0 0 434.514 3.754 50 0 IHAARN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058168358 569449499 /nfs/dbraw/zinc/44/94/99/569449499.db2.gz MQPIJTSXOOHIPY-UHFFFAOYSA-N 0 0 426.904 3.738 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccc(C)cc1 ZINC000003401800 569449847 /nfs/dbraw/zinc/44/98/47/569449847.db2.gz DGGADUSHQYJREJ-SFHVURJKSA-N 0 0 438.553 3.639 50 0 IHAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NC[C@H]1CCCO1 ZINC000003411144 569450080 /nfs/dbraw/zinc/45/00/80/569450080.db2.gz NQNFCCKQFVYQHN-LJQANCHMSA-N 0 0 426.517 3.520 50 0 IHAARN CCc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2ccncc2)cc1 ZINC000003420539 569450435 /nfs/dbraw/zinc/45/04/35/569450435.db2.gz ANXAYZWPEFBFDQ-UHFFFAOYSA-N 0 0 441.520 3.746 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003421349 569450438 /nfs/dbraw/zinc/45/04/38/569450438.db2.gz LIKIHCNKDKPZQM-INIZCTEOSA-N 0 0 440.455 3.622 50 0 IHAARN CCc1cc2c(nc(SCC(=O)N3CCCC3)n(CCc3ccccc3)c2=O)s1 ZINC000003447601 569451457 /nfs/dbraw/zinc/45/14/57/569451457.db2.gz QMTMYBJCYTXIRO-UHFFFAOYSA-N 0 0 427.595 3.978 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCc2ccccc2C1 ZINC000003452147 569451643 /nfs/dbraw/zinc/45/16/43/569451643.db2.gz ACWBJOYCZBFIFK-UHFFFAOYSA-N 0 0 431.517 3.715 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)no1 ZINC000003456050 569451775 /nfs/dbraw/zinc/45/17/75/569451775.db2.gz ZSDBBJVLFAWOTB-SFHVURJKSA-N 0 0 449.492 3.807 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2csc(-c3ccccc3)n2)c1C ZINC000003459006 569451824 /nfs/dbraw/zinc/45/18/24/569451824.db2.gz QGBIEKKGTOVWNE-UHFFFAOYSA-N 0 0 426.494 3.900 50 0 IHAARN CC(C)c1ccccc1-n1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 ZINC000003482520 569452341 /nfs/dbraw/zinc/45/23/41/569452341.db2.gz DORMCFOWDZWFHR-UHFFFAOYSA-N 0 0 429.933 3.998 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2-c2ccccc2C(C)C)cc1 ZINC000003484201 569452396 /nfs/dbraw/zinc/45/23/96/569452396.db2.gz QDAASOUFFDLHKC-AWEZNQCLSA-N 0 0 439.541 3.742 50 0 IHAARN C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003489101 569452427 /nfs/dbraw/zinc/45/24/27/569452427.db2.gz UOCFSMYQQQPBHX-INIZCTEOSA-N 0 0 431.444 3.508 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000003489420 569452437 /nfs/dbraw/zinc/45/24/37/569452437.db2.gz KSPMYUPTDSLOHC-UHFFFAOYSA-N 0 0 435.523 3.938 50 0 IHAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)NC1CC1 ZINC000003489989 569452460 /nfs/dbraw/zinc/45/24/60/569452460.db2.gz NITUELWHAGRSKK-UHFFFAOYSA-N 0 0 429.929 3.727 50 0 IHAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031024576 569452529 /nfs/dbraw/zinc/45/25/29/569452529.db2.gz FANGECICDLVRRK-UHFFFAOYSA-N 0 0 426.476 3.924 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000003491458 569452566 /nfs/dbraw/zinc/45/25/66/569452566.db2.gz ZXKSOVMTFNSZQS-UHFFFAOYSA-N 0 0 425.558 3.899 50 0 IHAARN COc1cc2c(cc1NC(=O)COC(=O)[C@@H]1COc3ccccc3O1)oc1ccccc12 ZINC000003497431 569452660 /nfs/dbraw/zinc/45/26/60/569452660.db2.gz DXXKEYYFKRZJAH-QFIPXVFZSA-N 0 0 433.416 3.916 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)cc1 ZINC000058305055 569452763 /nfs/dbraw/zinc/45/27/63/569452763.db2.gz SFIYJJSTJIRSRV-NRFANRHFSA-N 0 0 436.577 3.908 50 0 IHAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000003519345 569453131 /nfs/dbraw/zinc/45/31/31/569453131.db2.gz CEUPEPLFCFCJLC-ATIYNZHBSA-N 0 0 427.504 3.801 50 0 IHAARN C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)N1CCc2ccccc21 ZINC000003544854 569453658 /nfs/dbraw/zinc/45/36/58/569453658.db2.gz FROXRWDLSIPMDV-ZDUSSCGKSA-N 0 0 425.579 3.944 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1C ZINC000003556964 569453907 /nfs/dbraw/zinc/45/39/07/569453907.db2.gz IMQIDEZOOWNKHL-UHFFFAOYSA-N 0 0 434.989 3.649 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003571430 569454274 /nfs/dbraw/zinc/45/42/74/569454274.db2.gz RUKSWQUPCKKLIV-UHFFFAOYSA-N 0 0 440.521 3.691 50 0 IHAARN CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000003593244 569454622 /nfs/dbraw/zinc/45/46/22/569454622.db2.gz MKWVAGNIJYIDBV-OAQYLSRUSA-N 0 0 444.329 3.658 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000031197407 569454677 /nfs/dbraw/zinc/45/46/77/569454677.db2.gz NZAHZYJNCOXUNS-UHFFFAOYSA-N 0 0 442.585 3.843 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000003596379 569454706 /nfs/dbraw/zinc/45/47/06/569454706.db2.gz DCXSKRAZJVXNPA-UHFFFAOYSA-N 0 0 448.504 3.724 50 0 IHAARN Fc1ccccc1CN1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000058434483 569454725 /nfs/dbraw/zinc/45/47/25/569454725.db2.gz POFAKQFULIAVQV-UHFFFAOYSA-N 0 0 431.309 3.956 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cc(F)ccc1F ZINC000003611415 569454995 /nfs/dbraw/zinc/45/49/95/569454995.db2.gz IJCLIUVGJIAGHB-UHFFFAOYSA-N 0 0 444.459 3.977 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1cnn(-c3ccc(C(F)(F)F)cn3)c1C)CC2 ZINC000031239613 569455127 /nfs/dbraw/zinc/45/51/27/569455127.db2.gz ODDFZOMCTKCYDD-UHFFFAOYSA-N 0 0 446.429 3.810 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O ZINC000003632005 569455363 /nfs/dbraw/zinc/45/53/63/569455363.db2.gz RAMQKDRMRFHABO-UHFFFAOYSA-N 0 0 435.480 3.752 50 0 IHAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000031279645 569455528 /nfs/dbraw/zinc/45/55/28/569455528.db2.gz PSQYUKYWVLDHHK-UHFFFAOYSA-N 0 0 438.593 3.607 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O ZINC000031390621 569456237 /nfs/dbraw/zinc/45/62/37/569456237.db2.gz SUIUKDOCRYHHKO-KUHUBIRLSA-N 0 0 441.578 3.984 50 0 IHAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031391354 569456279 /nfs/dbraw/zinc/45/62/79/569456279.db2.gz GMUOAYGKDNJGQJ-FQEVSTJZSA-N 0 0 446.532 3.909 50 0 IHAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1=O ZINC000031631597 569456906 /nfs/dbraw/zinc/45/69/06/569456906.db2.gz VJBIHOFYORFDQS-UHFFFAOYSA-N 0 0 439.560 3.999 50 0 IHAARN Cc1ccc(-c2nnc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)o2)cc1 ZINC000031620527 569456932 /nfs/dbraw/zinc/45/69/32/569456932.db2.gz BICDUOUMALIVIR-KRWDZBQOSA-N 0 0 426.546 3.708 50 0 IHAARN Cc1ccc2nc(NC(=O)Cn3nnc(-c4ccc(Br)cc4)n3)sc2c1 ZINC000031731800 569457151 /nfs/dbraw/zinc/45/71/51/569457151.db2.gz JGJBZNNLICQGPP-UHFFFAOYSA-N 0 0 429.303 3.659 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(Cl)c(Cl)c1)SCC(=O)N2 ZINC000031812070 569457850 /nfs/dbraw/zinc/45/78/50/569457850.db2.gz BZDDBLSWHISAFV-HNNXBMFYSA-N 0 0 446.323 3.929 50 0 IHAARN CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(Cl)cc2OC)CC1 ZINC000004016636 569458182 /nfs/dbraw/zinc/45/81/82/569458182.db2.gz GOEBLKVNFZCHDM-UHFFFAOYSA-N 0 0 430.932 3.884 50 0 IHAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000031903654 569458352 /nfs/dbraw/zinc/45/83/52/569458352.db2.gz OZXMCQNPRFDWGZ-IBGZPJMESA-N 0 0 446.551 3.968 50 0 IHAARN CC[C@@](C)(CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl)N1CCOCC1 ZINC000031930916 569458466 /nfs/dbraw/zinc/45/84/66/569458466.db2.gz MUZXTUNRUXZFAF-NRFANRHFSA-N 0 0 439.387 3.777 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@@H]1c1cccnc1 ZINC000031942196 569458516 /nfs/dbraw/zinc/45/85/16/569458516.db2.gz XCTBYZOMIXZHHF-JOCHJYFZSA-N 0 0 433.533 3.810 50 0 IHAARN Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004073740 569458662 /nfs/dbraw/zinc/45/86/62/569458662.db2.gz SCAYQZCNHCNDIC-GKVSMKOHSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN CC(C)Cc1ccc(C(=O)CCC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032052525 569458997 /nfs/dbraw/zinc/45/89/97/569458997.db2.gz PAVQSXKEIKLNDC-QGZVFWFLSA-N 0 0 430.570 3.715 50 0 IHAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3c2=O)c1 ZINC000032088115 569459506 /nfs/dbraw/zinc/45/95/06/569459506.db2.gz GZWSSOASPLRNTP-MRXNPFEDSA-N 0 0 429.476 3.894 50 0 IHAARN CC(C)OCCCN1C(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2C1=O ZINC000032090908 569459588 /nfs/dbraw/zinc/45/95/88/569459588.db2.gz WGQMIFZBLOKMQF-UHFFFAOYSA-N 0 0 433.508 3.552 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cn3)cc2)c1C ZINC000059250937 569460614 /nfs/dbraw/zinc/46/06/14/569460614.db2.gz VHELBWXVSQSHIG-UHFFFAOYSA-N 0 0 429.274 3.767 50 0 IHAARN O=C(NCCN1CCCCCC1=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000032310397 569461139 /nfs/dbraw/zinc/46/11/39/569461139.db2.gz MZLALDUWPUUBCH-UHFFFAOYSA-N 0 0 432.318 3.769 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(Cc4ccco4)c3=O)n2)cc1C ZINC000038486494 569462814 /nfs/dbraw/zinc/46/28/14/569462814.db2.gz YWIPOSRDSOQOHD-UHFFFAOYSA-N 0 0 428.448 3.520 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 ZINC000038487520 569462919 /nfs/dbraw/zinc/46/29/19/569462919.db2.gz UTZSDIQNMDVQIG-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN O=C(CSc1ccc(F)cc1)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000038561682 569463999 /nfs/dbraw/zinc/46/39/99/569463999.db2.gz HCJKHXWUDMLCDE-INIZCTEOSA-N 0 0 442.603 3.729 50 0 IHAARN CCCc1nnsc1C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 ZINC000038563568 569464089 /nfs/dbraw/zinc/46/40/89/569464089.db2.gz NVMLBYLNKJCMCF-KRWDZBQOSA-N 0 0 435.596 3.806 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000067205511 569464559 /nfs/dbraw/zinc/46/45/59/569464559.db2.gz SSMCILULKQRWAZ-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN O=C(Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O)Nc1ccc2c(c1)CCC2 ZINC000067208674 569464768 /nfs/dbraw/zinc/46/47/68/569464768.db2.gz KLKWPNQRNPGTJA-UHFFFAOYSA-N 0 0 435.487 3.839 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NCCc1ccc(Cl)cc1 ZINC000067238479 569465640 /nfs/dbraw/zinc/46/56/40/569465640.db2.gz FWIQKWXXVGLVCQ-UHFFFAOYSA-N 0 0 432.977 3.938 50 0 IHAARN COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)cc1 ZINC000038655318 569465836 /nfs/dbraw/zinc/46/58/36/569465836.db2.gz VUQACMMNMIFZND-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O ZINC000067255217 569465996 /nfs/dbraw/zinc/46/59/96/569465996.db2.gz CAUBSAKDEDJOMP-UHFFFAOYSA-N 0 0 438.549 3.807 50 0 IHAARN O=S(=O)(c1nnn2c1nc(N1CCc3ccccc3C1)c1ccccc12)c1ccccc1 ZINC000067262616 569466690 /nfs/dbraw/zinc/46/66/90/569466690.db2.gz AGYSJAGNRRYAOU-UHFFFAOYSA-N 0 0 441.516 3.673 50 0 IHAARN Cc1ccccc1-c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nccn2n1 ZINC000067285450 569466789 /nfs/dbraw/zinc/46/67/89/569466789.db2.gz UIAGSYWZFARWCK-UHFFFAOYSA-N 0 0 427.508 3.756 50 0 IHAARN COc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1OC ZINC000067288349 569467432 /nfs/dbraw/zinc/46/74/32/569467432.db2.gz VOMQZNLSLCENDA-UHFFFAOYSA-N 0 0 441.915 3.990 50 0 IHAARN COc1ccc([C@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000067317989 569468460 /nfs/dbraw/zinc/46/84/60/569468460.db2.gz ICVAAEXKUTWWCO-HNNXBMFYSA-N 0 0 444.491 3.815 50 0 IHAARN Cc1c(C(=O)Nc2cc(F)ccc2C)nnn1CC(=O)Nc1ccc(Br)cc1 ZINC000067322590 569468673 /nfs/dbraw/zinc/46/86/73/569468673.db2.gz WRGWNOVKHDHHOH-UHFFFAOYSA-N 0 0 446.280 3.688 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 ZINC000067323006 569468738 /nfs/dbraw/zinc/46/87/38/569468738.db2.gz GVCCSDWRGADPKL-UHFFFAOYSA-N 0 0 445.401 3.699 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3 ZINC000067349901 569469046 /nfs/dbraw/zinc/46/90/46/569469046.db2.gz ZLYDDGBDKGTTPK-UHFFFAOYSA-N 0 0 425.916 3.804 50 0 IHAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(Cl)cc21 ZINC000038860532 569469344 /nfs/dbraw/zinc/46/93/44/569469344.db2.gz QSAHCEVLJSYPHT-INIZCTEOSA-N 0 0 448.850 3.915 50 0 IHAARN COc1cccc2cc(C(=O)NCC[C@H]3CCCCN3S(=O)(=O)c3cccs3)oc21 ZINC000038934944 569469562 /nfs/dbraw/zinc/46/95/62/569469562.db2.gz UWSAWNUSRNLLMC-MRXNPFEDSA-N 0 0 448.566 3.866 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000038946513 569469638 /nfs/dbraw/zinc/46/96/38/569469638.db2.gz BZJWQUOOALCTGW-ZWKOTPCHSA-N 0 0 437.590 3.863 50 0 IHAARN COc1cc(C2=NC(=CNc3ccccc3Br)C(=O)O2)cc(OC)c1OC ZINC000008661713 569469856 /nfs/dbraw/zinc/46/98/56/569469856.db2.gz UNGJEISNHSHYPU-UVTDQMKNSA-N 0 0 433.258 3.732 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(C)o1)[C@H]1c3ccccc3CCN1C2=O ZINC000008661700 569469858 /nfs/dbraw/zinc/46/98/58/569469858.db2.gz QPWHPPARJUBKRV-DNQXCXABSA-N 0 0 446.503 3.758 50 0 IHAARN O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000008668523 569469959 /nfs/dbraw/zinc/46/99/59/569469959.db2.gz MKZULKMUQAIKTO-UHFFFAOYSA-N 0 0 433.851 3.835 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cnc21 ZINC000008704774 569470333 /nfs/dbraw/zinc/47/03/33/569470333.db2.gz LFKLGFYKGKLDSR-QFIPXVFZSA-N 0 0 427.508 3.992 50 0 IHAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008748907 569473230 /nfs/dbraw/zinc/47/32/30/569473230.db2.gz OQVACUXQQLIERZ-UHFFFAOYSA-N 0 0 426.947 3.788 50 0 IHAARN COc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000008752714 569473555 /nfs/dbraw/zinc/47/35/55/569473555.db2.gz VFOFMRNKVIXRCC-OAQYLSRUSA-N 0 0 429.314 3.914 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl ZINC000008760379 569474229 /nfs/dbraw/zinc/47/42/29/569474229.db2.gz WGERETWNUHVURN-INIZCTEOSA-N 0 0 425.868 3.847 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)ccc32)cc1 ZINC000008764311 569474619 /nfs/dbraw/zinc/47/46/19/569474619.db2.gz SRFITFCHESVRBK-UHFFFAOYSA-N 0 0 441.443 3.784 50 0 biogenic IHAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008777479 569475395 /nfs/dbraw/zinc/47/53/95/569475395.db2.gz JDYTXTVWTRMCEZ-RUZDIDTESA-N 0 0 443.459 3.647 50 0 IHAARN Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000008782439 569475834 /nfs/dbraw/zinc/47/58/34/569475834.db2.gz DHTDTQKXNLIURP-UHFFFAOYSA-N 0 0 444.211 3.985 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4ccncc4)ccc32)cc1 ZINC000008791182 569476158 /nfs/dbraw/zinc/47/61/58/569476158.db2.gz IIYFNQJOFAYADT-MRXNPFEDSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccncc4)ccc32)cc1 ZINC000008791181 569476187 /nfs/dbraw/zinc/47/61/87/569476187.db2.gz IIYFNQJOFAYADT-INIZCTEOSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccccc4C(N)=O)ccc32)cc1 ZINC000008791568 569476283 /nfs/dbraw/zinc/47/62/83/569476283.db2.gz CIBURMQMCDTOPH-UHFFFAOYSA-N 0 0 444.443 3.585 50 0 biogenic IHAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCCOC(C)C)CC2)c(C)c1 ZINC000008813413 569476691 /nfs/dbraw/zinc/47/66/91/569476691.db2.gz ZKNUFKMYZQZYKF-UHFFFAOYSA-N 0 0 438.634 3.628 50 0 IHAARN CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008828068 569477797 /nfs/dbraw/zinc/47/77/97/569477797.db2.gz ROLXUASDTQVFEP-MSOLQXFVSA-N 0 0 440.443 3.716 50 0 IHAARN COc1ccc(CCNC(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000008839695 569478356 /nfs/dbraw/zinc/47/83/56/569478356.db2.gz AXZDGOOMVXXITM-INIZCTEOSA-N 0 0 438.311 3.869 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840909 569478397 /nfs/dbraw/zinc/47/83/97/569478397.db2.gz PNDBWLXCWIOHPV-UHFFFAOYSA-N 0 0 429.542 3.771 50 0 IHAARN Cc1cc(NC(=O)CSc2n[nH]c(COc3ccccc3C)n2)n(-c2ccccc2)n1 ZINC000008848625 569479147 /nfs/dbraw/zinc/47/91/47/569479147.db2.gz FHCKWOCDLKBCLO-UHFFFAOYSA-N 0 0 434.525 3.917 50 0 IHAARN Cc1ccc(SCC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000008854524 569479625 /nfs/dbraw/zinc/47/96/25/569479625.db2.gz HLCQTMKUZGEYSP-UHFFFAOYSA-N 0 0 447.607 3.902 50 0 IHAARN CN(c1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1)S(C)(=O)=O ZINC000008862117 569480082 /nfs/dbraw/zinc/48/00/82/569480082.db2.gz HEBBOZLLZMGCEV-UHFFFAOYSA-N 0 0 442.566 3.516 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000008865240 569480291 /nfs/dbraw/zinc/48/02/91/569480291.db2.gz HAOPXDWLMORPNG-UHFFFAOYSA-N 0 0 448.500 3.884 50 0 IHAARN Cc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)coc2c1C ZINC000008867701 569480332 /nfs/dbraw/zinc/48/03/32/569480332.db2.gz PLMMCZKBMQTSKG-FQEVSTJZSA-N 0 0 429.513 3.947 50 0 IHAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc(OC)c1OC ZINC000008869924 569480505 /nfs/dbraw/zinc/48/05/05/569480505.db2.gz FQNXTTHMONTCPJ-IBGZPJMESA-N 0 0 449.931 3.952 50 0 IHAARN CN(C)c1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCCC3)n2)cc1 ZINC000008872747 569480995 /nfs/dbraw/zinc/48/09/95/569480995.db2.gz MBKSKRSWKOSLQW-UHFFFAOYSA-N 0 0 447.503 3.636 50 0 IHAARN COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000008876557 569481172 /nfs/dbraw/zinc/48/11/72/569481172.db2.gz ARWKYLKFZSJBEP-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 biogenic IHAARN Cc1cc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 ZINC000039519769 569481692 /nfs/dbraw/zinc/48/16/92/569481692.db2.gz MHEZNTVZZMPMRF-CYBMUJFWSA-N 0 0 430.858 3.800 50 0 IHAARN CCCNC(=O)c1cnn2c1nc(-c1cc(OC)c(OC)c(OC)c1)cc2C(F)(F)F ZINC000039929579 569481960 /nfs/dbraw/zinc/48/19/60/569481960.db2.gz UIPRQYAYMSTKDY-UHFFFAOYSA-N 0 0 438.406 3.581 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000008883187 569482993 /nfs/dbraw/zinc/48/29/93/569482993.db2.gz KXBUQKJHPPPCOM-UHFFFAOYSA-N 0 0 435.933 3.725 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)C[S@](=O)C3)c(C)c1 ZINC000008884917 569483170 /nfs/dbraw/zinc/48/31/70/569483170.db2.gz IGBPLLNEIKFGEC-AREMUKBSSA-N 0 0 434.315 3.859 50 0 IHAARN C[C@@H](c1ccccc1)n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O ZINC000008884372 569483173 /nfs/dbraw/zinc/48/31/73/569483173.db2.gz AHYSBJUGBDYWRL-INIZCTEOSA-N 0 0 441.516 3.861 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000008898654 569483986 /nfs/dbraw/zinc/48/39/86/569483986.db2.gz FFQYUWOXPVOVIG-DEOSSOPVSA-N 0 0 449.532 3.757 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000008900601 569484114 /nfs/dbraw/zinc/48/41/14/569484114.db2.gz KJBAVKJDVBGZCA-UHFFFAOYSA-N 0 0 441.553 3.791 50 0 IHAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl ZINC000008901822 569484360 /nfs/dbraw/zinc/48/43/60/569484360.db2.gz WRUTTWYEBWQSFF-UHFFFAOYSA-N 0 0 441.944 3.852 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040057771 569484639 /nfs/dbraw/zinc/48/46/39/569484639.db2.gz IQJJHOLSSSVYCJ-CVEARBPZSA-N 0 0 428.407 3.506 50 0 IHAARN CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000040058795 569484672 /nfs/dbraw/zinc/48/46/72/569484672.db2.gz VKIRPIGATCIZFM-DYESRHJHSA-N 0 0 428.554 3.885 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000008910157 569484792 /nfs/dbraw/zinc/48/47/92/569484792.db2.gz PTGXIHIIGCCRIK-UHFFFAOYSA-N 0 0 436.320 3.789 50 0 IHAARN CC(C)(C)c1ccc(C2(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCCC2)cc1 ZINC000040069533 569485381 /nfs/dbraw/zinc/48/53/81/569485381.db2.gz XBZSAWOHCOHZRR-UHFFFAOYSA-N 0 0 428.598 3.802 50 0 IHAARN COc1ccc(-n2ccn(CN3CCN(C(=O)c4ccc(F)cc4)CC3)c2=S)cc1 ZINC000040071357 569485768 /nfs/dbraw/zinc/48/57/68/569485768.db2.gz NJBZQMVGLRFQNK-UHFFFAOYSA-N 0 0 426.517 3.571 50 0 IHAARN CCOc1cc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F ZINC000040086158 569486682 /nfs/dbraw/zinc/48/66/82/569486682.db2.gz DUOQCBAZSDBBMI-AWEZNQCLSA-N 0 0 427.492 3.666 50 0 IHAARN O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008924044 569487149 /nfs/dbraw/zinc/48/71/49/569487149.db2.gz YEXOXBOQZQKKMM-FQEVSTJZSA-N 0 0 449.503 3.813 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)c1ccccc1 ZINC000008924249 569487205 /nfs/dbraw/zinc/48/72/05/569487205.db2.gz IHROCGWNSSRTKQ-UHFFFAOYSA-N 0 0 438.505 3.752 50 0 IHAARN CC1=CN2C(=O)[C@@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)N=C2C=C1 ZINC000008931985 569487619 /nfs/dbraw/zinc/48/76/19/569487619.db2.gz AEKBSOMGLXVVPL-JOCHJYFZSA-N 0 0 436.309 3.832 50 0 IHAARN CC1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 ZINC000008933321 569487810 /nfs/dbraw/zinc/48/78/10/569487810.db2.gz PIUMOFPPLCCLKQ-UHFFFAOYSA-N 0 0 432.499 3.797 50 0 IHAARN CCCCN(C)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933687 569487840 /nfs/dbraw/zinc/48/78/40/569487840.db2.gz ANOPDVDCSOYLPI-UHFFFAOYSA-N 0 0 433.556 3.774 50 0 IHAARN CCCCSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 ZINC000008934533 569487945 /nfs/dbraw/zinc/48/79/45/569487945.db2.gz MTAHELUJGGOQHX-UHFFFAOYSA-N 0 0 434.565 3.886 50 0 IHAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2)cc1 ZINC000008935677 569487998 /nfs/dbraw/zinc/48/79/98/569487998.db2.gz INAVBOBNVMFKSI-QHCPKHFHSA-N 0 0 425.506 3.924 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 ZINC000040107818 569488498 /nfs/dbraw/zinc/48/84/98/569488498.db2.gz FLJVMOZLQOASQK-KRWDZBQOSA-N 0 0 444.409 3.905 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)NCc4ccccc4)c(=O)c23)s1 ZINC000008944307 569488928 /nfs/dbraw/zinc/48/89/28/569488928.db2.gz VPLGYPAMLGVFTQ-UHFFFAOYSA-N 0 0 438.534 3.521 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2cc3ccccc3o2)c(N2CCCCC2)n1 ZINC000008946189 569489040 /nfs/dbraw/zinc/48/90/40/569489040.db2.gz KYLJZSSJRBSXCM-UHFFFAOYSA-N 0 0 436.541 3.715 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000008952640 569489974 /nfs/dbraw/zinc/48/99/74/569489974.db2.gz XIGLTUDNIPUDGN-NHLCRCCNSA-N 0 0 426.538 3.930 50 0 biogenic IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2cccs2)ccc1=O ZINC000008954873 569490032 /nfs/dbraw/zinc/49/00/32/569490032.db2.gz YDBRHAAWFUGLQD-GFCCVEGCSA-N 0 0 438.336 3.862 50 0 IHAARN COc1cccc(-c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c3nc(C)sc32)c1 ZINC000008955880 569490163 /nfs/dbraw/zinc/49/01/63/569490163.db2.gz VXFYODFOHLFALB-UHFFFAOYSA-N 0 0 442.447 3.754 50 0 IHAARN CSc1ccc(N2C[C@H](C(=O)Nc3cccc(OCCn4ccnc4)c3)CC2=O)cc1 ZINC000040134886 569490583 /nfs/dbraw/zinc/49/05/83/569490583.db2.gz QCHMTURDSJSYEJ-QGZVFWFLSA-N 0 0 436.537 3.676 50 0 IHAARN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000040139130 569490829 /nfs/dbraw/zinc/49/08/29/569490829.db2.gz OLXCVXBZQZDHIH-OAQYLSRUSA-N 0 0 448.519 3.502 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc2ccccc2c1 ZINC000008966122 569491649 /nfs/dbraw/zinc/49/16/49/569491649.db2.gz VWKVKWZULGDCHU-QGZVFWFLSA-N 0 0 433.508 3.698 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c12 ZINC000040146875 569492344 /nfs/dbraw/zinc/49/23/44/569492344.db2.gz VEWQMUIWNGTDJL-UHFFFAOYSA-N 0 0 447.583 3.958 50 0 IHAARN Cc1cccnc1NC(=O)C1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000040149194 569492495 /nfs/dbraw/zinc/49/24/95/569492495.db2.gz WNXGIJCNSWLCQC-UHFFFAOYSA-N 0 0 447.322 3.601 50 0 IHAARN O=C(CN[C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000040149534 569492528 /nfs/dbraw/zinc/49/25/28/569492528.db2.gz FRMSFYVUHUNFMB-VWLOTQADSA-N 0 0 442.519 3.722 50 0 IHAARN Cc1nccn1-c1ccc(CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cn1 ZINC000040156079 569494052 /nfs/dbraw/zinc/49/40/52/569494052.db2.gz CSYBQTQDLTTYRR-OJNXCIKNSA-N 0 0 449.599 3.549 50 0 IHAARN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)o1 ZINC000040157060 569494233 /nfs/dbraw/zinc/49/42/33/569494233.db2.gz SWOMFFNBBRIHOE-UHFFFAOYSA-N 0 0 436.508 3.994 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000040157366 569494342 /nfs/dbraw/zinc/49/43/42/569494342.db2.gz QTPGZRHNEAWCKQ-PXNSSMCTSA-N 0 0 448.544 3.610 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000008981156 569494421 /nfs/dbraw/zinc/49/44/21/569494421.db2.gz QXXQZSDVEMPUIT-UHFFFAOYSA-N 0 0 439.969 3.578 50 0 IHAARN O=C(NCC1(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008988624 569494973 /nfs/dbraw/zinc/49/49/73/569494973.db2.gz JHFABJCVGIZKBI-UHFFFAOYSA-N 0 0 432.973 3.589 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCc3ccccc3C2)cc1 ZINC000008992099 569495314 /nfs/dbraw/zinc/49/53/14/569495314.db2.gz MGXVXQPVGMNKQC-RUZDIDTESA-N 0 0 446.572 3.696 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000009011231 569496503 /nfs/dbraw/zinc/49/65/03/569496503.db2.gz AAUDELCLIATAHQ-HNNXBMFYSA-N 0 0 432.432 3.568 50 0 IHAARN O=C(c1cc(Br)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000244950781 569496550 /nfs/dbraw/zinc/49/65/50/569496550.db2.gz FLJKHPBERQHOOR-UHFFFAOYSA-N 0 0 448.342 3.584 50 0 IHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000244970301 569496616 /nfs/dbraw/zinc/49/66/16/569496616.db2.gz HSENALUPARAQJF-KULDPHIESA-N 0 0 426.594 3.716 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Br)cc3)n2)cc1 ZINC000009031579 569497073 /nfs/dbraw/zinc/49/70/73/569497073.db2.gz IEOGKMGQOYOPDX-LBPRGKRZSA-N 0 0 432.274 3.591 50 0 IHAARN COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)CCc3ccccc3)CCCC2)cc1OC ZINC000009033166 569497177 /nfs/dbraw/zinc/49/71/77/569497177.db2.gz VHCDTJKKEKJWJX-LJQANCHMSA-N 0 0 438.568 3.769 50 0 biogenic IHAARN CC1(C)C[C@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 ZINC000009034114 569497208 /nfs/dbraw/zinc/49/72/08/569497208.db2.gz FFFLGCIQNOKFSM-LEWJYISDSA-N 0 0 448.563 3.853 50 0 biogenic IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(Br)c2)N1C(C)=O ZINC000009034012 569497232 /nfs/dbraw/zinc/49/72/32/569497232.db2.gz VXHCBMUTXVNYLG-AZUAARDMSA-N 0 0 427.298 3.966 50 0 biogenic IHAARN CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)c2ccc(Br)cc2)CO1 ZINC000040286437 569498116 /nfs/dbraw/zinc/49/81/16/569498116.db2.gz VPBNURCWZLXQMD-UHFFFAOYSA-N 0 0 448.342 3.537 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000245187636 569498315 /nfs/dbraw/zinc/49/83/15/569498315.db2.gz ZRNJOYWRZZVIOR-QGZVFWFLSA-N 0 0 429.972 3.686 50 0 IHAARN CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000009053825 569498888 /nfs/dbraw/zinc/49/88/88/569498888.db2.gz LMBQHWJAZZHVGD-UHFFFAOYSA-N 0 0 435.431 3.975 50 0 IHAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000245225021 569499564 /nfs/dbraw/zinc/49/95/64/569499564.db2.gz KSCNGRCDSWJTJF-JKSUJKDBSA-N 0 0 435.977 3.779 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245239165 569500573 /nfs/dbraw/zinc/50/05/73/569500573.db2.gz GBKVCRXMIAHYJT-MPCDZSKCSA-N 0 0 440.588 3.761 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245239164 569500577 /nfs/dbraw/zinc/50/05/77/569500577.db2.gz GBKVCRXMIAHYJT-HHJKRLRDSA-N 0 0 440.588 3.761 50 0 IHAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009094883 569501265 /nfs/dbraw/zinc/50/12/65/569501265.db2.gz KNVZWEOOVIKAAE-NRFANRHFSA-N 0 0 444.940 3.877 50 0 IHAARN C[C@H](C(=O)NC[C@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000245257868 569501572 /nfs/dbraw/zinc/50/15/72/569501572.db2.gz FRBSWGQDNLPJOW-RRMPHLOHSA-N 0 0 428.529 3.765 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009104074 569501778 /nfs/dbraw/zinc/50/17/78/569501778.db2.gz JFVCMGGZTINPSZ-QGZVFWFLSA-N 0 0 449.532 3.903 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccco3)Cc3ccccc3)C(=O)[C@@H]2C)cc1 ZINC000009112253 569502402 /nfs/dbraw/zinc/50/24/02/569502402.db2.gz KIWCIOTZICFWME-IBGZPJMESA-N 0 0 431.492 3.974 50 0 IHAARN CCCCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009113604 569502542 /nfs/dbraw/zinc/50/25/42/569502542.db2.gz AZMMYLSMCZWXGL-OAQYLSRUSA-N 0 0 437.565 3.969 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)c1 ZINC000009115493 569502760 /nfs/dbraw/zinc/50/27/60/569502760.db2.gz ZUYCLBZXWPTVQC-SSEXGKCCSA-N 0 0 427.522 3.886 50 0 IHAARN CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccccc2OCC)c1=O ZINC000009116529 569503019 /nfs/dbraw/zinc/50/30/19/569503019.db2.gz LBSGQMCVHBVQHN-UHFFFAOYSA-N 0 0 435.480 3.747 50 0 IHAARN Cc1ccccc1OCc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccccc1 ZINC000009119295 569503497 /nfs/dbraw/zinc/50/34/97/569503497.db2.gz WNBXBGADQDWCNL-LJQANCHMSA-N 0 0 438.553 3.542 50 0 IHAARN COc1cccc(C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245329974 569504067 /nfs/dbraw/zinc/50/40/67/569504067.db2.gz VSUOEWAHGMWLOZ-ISKFKSNPSA-N 0 0 426.557 3.724 50 0 IHAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1C ZINC000009124882 569504436 /nfs/dbraw/zinc/50/44/36/569504436.db2.gz BBOHWLXEKJSLPY-SANMLTNESA-N 0 0 445.494 3.554 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)cc1 ZINC000009126932 569505084 /nfs/dbraw/zinc/50/50/84/569505084.db2.gz MXCRFIYMBWPSOK-FQEVSTJZSA-N 0 0 429.542 3.791 50 0 IHAARN CCOc1ccc(N(CC(=O)N[C@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000245380614 569505581 /nfs/dbraw/zinc/50/55/81/569505581.db2.gz CNFXJPSXFJUCCA-QRWLVFNGSA-N 0 0 449.573 3.580 50 0 IHAARN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2ncc(C(=O)c3ccc(C)cc3)n12 ZINC000009130731 569506161 /nfs/dbraw/zinc/50/61/61/569506161.db2.gz OVZXSYXMPCTVCD-UHFFFAOYSA-N 0 0 433.489 3.902 50 0 IHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC3=CCCCC3)cc21 ZINC000040450136 569506223 /nfs/dbraw/zinc/50/62/23/569506223.db2.gz CWXUMOPOYBTBGP-UHFFFAOYSA-N 0 0 427.364 3.527 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3c4ccccc4C[C@H]3C)cc21 ZINC000040450385 569506238 /nfs/dbraw/zinc/50/62/38/569506238.db2.gz FVWJEEOBXMVWFW-CYBMUJFWSA-N 0 0 449.370 3.888 50 0 IHAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450480 569506355 /nfs/dbraw/zinc/50/63/55/569506355.db2.gz MVIRLISNZCQGLC-MLGOLLRUSA-N 0 0 441.391 3.605 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000009151847 569507601 /nfs/dbraw/zinc/50/76/01/569507601.db2.gz BAJDMVHTORPYSF-UHFFFAOYSA-N 0 0 433.480 3.584 50 0 IHAARN O=C(Nc1nc2ccccc2s1)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccn1 ZINC000009152241 569507731 /nfs/dbraw/zinc/50/77/31/569507731.db2.gz ZYLXTWLCYKAWLB-UHFFFAOYSA-N 0 0 428.470 3.884 50 0 IHAARN CCc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009152856 569507910 /nfs/dbraw/zinc/50/79/10/569507910.db2.gz NZJYXLDZRDVNET-KBPBESRZSA-N 0 0 432.567 3.873 50 0 IHAARN CN(C(=O)CSc1ncnc2ccccc21)c1ccccc1C(=O)NCc1ccco1 ZINC000009155175 569508272 /nfs/dbraw/zinc/50/82/72/569508272.db2.gz YNMCQBDOJWNUHF-UHFFFAOYSA-N 0 0 432.505 3.908 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000009161644 569508736 /nfs/dbraw/zinc/50/87/36/569508736.db2.gz RWFJAVPDHDAJDC-NHCUHLMSSA-N 0 0 431.488 3.549 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000009166814 569508905 /nfs/dbraw/zinc/50/89/05/569508905.db2.gz UNBGCNGVQYUPHZ-UHFFFAOYSA-N 0 0 436.537 3.626 50 0 IHAARN CC[C@@H](Sc1nc(-c2ccccc2)c(C)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009190186 569510507 /nfs/dbraw/zinc/51/05/07/569510507.db2.gz OZKZVDPDKYZYGA-QGZVFWFLSA-N 0 0 430.555 3.542 50 0 IHAARN COC(=O)C1=NN(c2ccccc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 ZINC000009193103 569510821 /nfs/dbraw/zinc/51/08/21/569510821.db2.gz JHMSDIZFWBASAP-NRFANRHFSA-N 0 0 441.534 3.996 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 ZINC000009195256 569511001 /nfs/dbraw/zinc/51/10/01/569511001.db2.gz VPRNZHXOCIKVTA-UHFFFAOYSA-N 0 0 443.891 3.982 50 0 IHAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000009203442 569511293 /nfs/dbraw/zinc/51/12/93/569511293.db2.gz IEDSZXBNXKCAPU-AWEZNQCLSA-N 0 0 442.566 3.880 50 0 IHAARN COc1ccc(OCc2nnc(S[C@H]3C[C@H](C)OC3=O)n2-c2ccccc2F)cc1 ZINC000009205381 569511360 /nfs/dbraw/zinc/51/13/60/569511360.db2.gz WMUGSACXVCHCSY-UGSOOPFHSA-N 0 0 429.473 3.790 50 0 IHAARN O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)NC(c1ccccc1)c1ccccc1 ZINC000009207052 569511385 /nfs/dbraw/zinc/51/13/85/569511385.db2.gz SUXPBSBVKAAMCN-JOCHJYFZSA-N 0 0 443.547 3.913 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(C[C@@H]2c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000069652381 569511524 /nfs/dbraw/zinc/51/15/24/569511524.db2.gz NOSOXBLGCFJNIM-MRXNPFEDSA-N 0 0 448.932 3.953 50 0 IHAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009211525 569511736 /nfs/dbraw/zinc/51/17/36/569511736.db2.gz AIWBNTYQNNXOJL-UHFFFAOYSA-N 0 0 441.896 3.640 50 0 IHAARN Cc1oc(-c2ccc(C(=O)NCc3ccccn3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000009212154 569512010 /nfs/dbraw/zinc/51/20/10/569512010.db2.gz LGMYCTPIINCQTG-UHFFFAOYSA-N 0 0 447.516 3.949 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)CC(=O)NCc3ccco3)cc12 ZINC000009223508 569513011 /nfs/dbraw/zinc/51/30/11/569513011.db2.gz KMOQNLZKQFLQJO-UHFFFAOYSA-N 0 0 440.500 3.575 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1F ZINC000009224014 569513075 /nfs/dbraw/zinc/51/30/75/569513075.db2.gz ZYNLDJFFQGWLDC-UHFFFAOYSA-N 0 0 434.533 3.671 50 0 IHAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc(Br)ccc1O ZINC000009226026 569513225 /nfs/dbraw/zinc/51/32/25/569513225.db2.gz WNCHQKNSMFVWPX-UHFFFAOYSA-N 0 0 437.294 3.820 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 ZINC000009226378 569513282 /nfs/dbraw/zinc/51/32/82/569513282.db2.gz UYAJDMJDHNVVCK-LSDHHAIUSA-N 0 0 432.567 3.785 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009226362 569513293 /nfs/dbraw/zinc/51/32/93/569513293.db2.gz CGQVJMVAVPTPJZ-GJZGRUSLSA-N 0 0 432.567 3.785 50 0 IHAARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NCCNC(=O)c1cnccn1 ZINC000009227284 569513386 /nfs/dbraw/zinc/51/33/86/569513386.db2.gz BPNHRQDTUWKZRQ-ZZXKWVIFSA-N 0 0 431.279 3.603 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239113 569514435 /nfs/dbraw/zinc/51/44/35/569514435.db2.gz GYVDBKCTCGOIHX-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 ZINC000009239104 569514442 /nfs/dbraw/zinc/51/44/42/569514442.db2.gz VUZHNTIDJBJOQP-RTBURBONSA-N 0 0 427.505 3.776 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3nnc4ccc(-c5ccccn5)nn43)sc2c1 ZINC000009241409 569514709 /nfs/dbraw/zinc/51/47/09/569514709.db2.gz NAHKNIUZTNJGIQ-UHFFFAOYSA-N 0 0 433.522 3.835 50 0 IHAARN COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]42)cc1 ZINC000009242756 569514712 /nfs/dbraw/zinc/51/47/12/569514712.db2.gz PKQWJFJVDRJZMI-MORHTPAJSA-N 0 0 440.858 3.662 50 0 IHAARN C[C@H]1CCc2nc(NC(=O)c3ccccc3NC(=O)CSc3nccn3C)sc2C1 ZINC000009245226 569515297 /nfs/dbraw/zinc/51/52/97/569515297.db2.gz UQOVNEPUKBBUGH-ZDUSSCGKSA-N 0 0 441.582 3.985 50 0 IHAARN Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1NC(=O)C[C@@H]2c1cccc(F)c1F ZINC000009249907 569515573 /nfs/dbraw/zinc/51/55/73/569515573.db2.gz LMMYZNQAQZUVFH-CQSZACIVSA-N 0 0 431.439 3.964 50 0 IHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2c(c1)NC(=O)CS2 ZINC000009254294 569516288 /nfs/dbraw/zinc/51/62/88/569516288.db2.gz HOEJSXAXJKIVDC-UHFFFAOYSA-N 0 0 436.562 3.998 50 0 IHAARN CC[C@H]1CCc2sc(C(=O)OCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)cc2C1 ZINC000009253959 569516291 /nfs/dbraw/zinc/51/62/91/569516291.db2.gz IAPCPZIWKXCQAK-LBPRGKRZSA-N 0 0 426.494 3.643 50 0 IHAARN O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000009255012 569516461 /nfs/dbraw/zinc/51/64/61/569516461.db2.gz PFALKUJSCOQDKC-UHFFFAOYSA-N 0 0 427.416 3.703 50 0 IHAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000009255945 569516676 /nfs/dbraw/zinc/51/66/76/569516676.db2.gz YLITXDXWRFIKEC-GFCCVEGCSA-N 0 0 425.901 3.882 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)N1CCCCC1 ZINC000009256914 569516777 /nfs/dbraw/zinc/51/67/77/569516777.db2.gz HILFLEFWLUSRFF-OAHLLOKOSA-N 0 0 447.626 3.620 50 0 IHAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C(N)=O)c1 ZINC000009256599 569516782 /nfs/dbraw/zinc/51/67/82/569516782.db2.gz NKBHMDWEHAYNTC-UHFFFAOYSA-N 0 0 449.941 3.578 50 0 IHAARN CC(C)n1c(CNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nccs1 ZINC000009264004 569517258 /nfs/dbraw/zinc/51/72/58/569517258.db2.gz RITQKTOZRUSRRX-GFCCVEGCSA-N 0 0 448.549 3.504 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1C ZINC000009273708 569518071 /nfs/dbraw/zinc/51/80/71/569518071.db2.gz MAOQYVJUGVJJHZ-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(C)c1 ZINC000009273688 569518090 /nfs/dbraw/zinc/51/80/90/569518090.db2.gz CGXPBGNQJLGDLL-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2)c1 ZINC000009279149 569518525 /nfs/dbraw/zinc/51/85/25/569518525.db2.gz XRZNTLPNIYILFO-UHFFFAOYSA-N 0 0 447.520 3.830 50 0 IHAARN COc1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009288808 569519440 /nfs/dbraw/zinc/51/94/40/569519440.db2.gz SZNDWOOGXXDYMT-UHFFFAOYSA-N 0 0 435.509 3.506 50 0 IHAARN COc1cccc(CNC(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)c1OC ZINC000009289037 569519505 /nfs/dbraw/zinc/51/95/05/569519505.db2.gz QSMBCWJDNYHBTA-CQSZACIVSA-N 0 0 437.521 3.814 50 0 IHAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2OC)cc1OC ZINC000009289273 569519549 /nfs/dbraw/zinc/51/95/49/569519549.db2.gz PUDQNAYSIPJTMU-UHFFFAOYSA-N 0 0 445.479 3.667 50 0 IHAARN COc1ccccc1OCCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C ZINC000009289731 569519608 /nfs/dbraw/zinc/51/96/08/569519608.db2.gz FPWSTRBFTYSMCE-UHFFFAOYSA-N 0 0 432.933 3.578 50 0 IHAARN CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000009289937 569519644 /nfs/dbraw/zinc/51/96/44/569519644.db2.gz IDFCNXBJNPYYGE-UHFFFAOYSA-N 0 0 443.525 3.974 50 0 IHAARN COc1ccccc1OCCOc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000009302121 569520786 /nfs/dbraw/zinc/52/07/86/569520786.db2.gz UPPZLWBOQFIWRP-KQWNVCNZSA-N 0 0 444.512 3.923 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)s1 ZINC000009302794 569520896 /nfs/dbraw/zinc/52/08/96/569520896.db2.gz CQXCLEIYFNTJHY-UHFFFAOYSA-N 0 0 432.575 3.546 50 0 IHAARN Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009305762 569521277 /nfs/dbraw/zinc/52/12/77/569521277.db2.gz GYOKLCODJCFRBU-UHFFFAOYSA-N 0 0 436.475 3.540 50 0 IHAARN Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 ZINC000069848291 569521681 /nfs/dbraw/zinc/52/16/81/569521681.db2.gz HEHFHZMRAGTTRF-UHFFFAOYSA-N 0 0 438.576 3.504 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(F)c(F)c(F)c2F)cc1OCC ZINC000009317006 569522319 /nfs/dbraw/zinc/52/23/19/569522319.db2.gz RKZYWOFLOTWMRX-UHFFFAOYSA-N 0 0 428.382 3.751 50 0 IHAARN COC(=O)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000009325283 569522713 /nfs/dbraw/zinc/52/27/13/569522713.db2.gz PGBFEGTVPPAINS-UHFFFAOYSA-N 0 0 435.505 3.891 50 0 IHAARN COCCCNC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C ZINC000009338640 569523709 /nfs/dbraw/zinc/52/37/09/569523709.db2.gz XPXFVZQKLMKUGV-UHFFFAOYSA-N 0 0 427.979 3.772 50 0 IHAARN CSc1nnc(CCCNC(=O)CCc2nc(-c3ccccc3)no2)n1C1CCCC1 ZINC000069950913 569525366 /nfs/dbraw/zinc/52/53/66/569525366.db2.gz VKVXXWHNQNRWIS-UHFFFAOYSA-N 0 0 440.573 3.847 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 ZINC000009364636 569526048 /nfs/dbraw/zinc/52/60/48/569526048.db2.gz ULRVTOXFUWCDFG-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000009365727 569526166 /nfs/dbraw/zinc/52/61/66/569526166.db2.gz LOBOPIZSORYVOW-UHFFFAOYSA-N 0 0 432.502 3.598 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)C1 ZINC000009367309 569526458 /nfs/dbraw/zinc/52/64/58/569526458.db2.gz MRFSZXWJYLCFMH-HUUCEWRRSA-N 0 0 433.599 3.941 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 ZINC000009367559 569526487 /nfs/dbraw/zinc/52/64/87/569526487.db2.gz RIQZRSZORYOEAT-SMJDUXBKSA-N 0 0 443.594 3.648 50 0 IHAARN O=C(NCc1cn2ccccc2n1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009378073 569527559 /nfs/dbraw/zinc/52/75/59/569527559.db2.gz KGNZWSUKPLKUGF-UHFFFAOYSA-N 0 0 440.912 3.719 50 0 IHAARN O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000070010166 569528037 /nfs/dbraw/zinc/52/80/37/569528037.db2.gz QYEDNVIPLCNBSM-ZDUSSCGKSA-N 0 0 426.448 3.898 50 0 IHAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1ccccc1 ZINC000009381033 569528071 /nfs/dbraw/zinc/52/80/71/569528071.db2.gz NLGTZSHSFPGDNB-UHFFFAOYSA-N 0 0 443.594 3.606 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)c1cccs1 ZINC000009381370 569528095 /nfs/dbraw/zinc/52/80/95/569528095.db2.gz PPDZEXKOLKAYLC-UHFFFAOYSA-N 0 0 425.491 3.938 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)c1ccccc1OC ZINC000009381304 569528107 /nfs/dbraw/zinc/52/81/07/569528107.db2.gz YZPXWCOSEFULPF-UHFFFAOYSA-N 0 0 449.488 3.885 50 0 IHAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1OC ZINC000009391024 569528795 /nfs/dbraw/zinc/52/87/95/569528795.db2.gz UKMGGOVTQSQZDW-UHFFFAOYSA-N 0 0 429.523 3.712 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)cc1 ZINC000009392136 569529029 /nfs/dbraw/zinc/52/90/29/569529029.db2.gz LXFOPSABEXNBLJ-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN CCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000009393646 569529062 /nfs/dbraw/zinc/52/90/62/569529062.db2.gz OSSZXFGTUBPBKC-KJXVGZKYSA-N 0 0 443.594 3.884 50 0 IHAARN COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000009396647 569529169 /nfs/dbraw/zinc/52/91/69/569529169.db2.gz JBWRWJBTUIXJKH-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000009396717 569529192 /nfs/dbraw/zinc/52/91/92/569529192.db2.gz YPSCODXJMDKCAE-UHFFFAOYSA-N 0 0 438.977 3.516 50 0 IHAARN COc1ccc(-c2nsc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000009404046 569529594 /nfs/dbraw/zinc/52/95/94/569529594.db2.gz SHLLXCOORZDERA-UHFFFAOYSA-N 0 0 445.566 3.682 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1 ZINC000009407923 569530418 /nfs/dbraw/zinc/53/04/18/569530418.db2.gz SERNDJBRYAXXGI-UHFFFAOYSA-N 0 0 427.451 3.904 50 0 IHAARN CCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009408905 569530753 /nfs/dbraw/zinc/53/07/53/569530753.db2.gz YKHSCQXPXAHAPH-UPCLLVRISA-N 0 0 449.507 3.914 50 0 IHAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OC ZINC000009409281 569531003 /nfs/dbraw/zinc/53/10/03/569531003.db2.gz FDCHKTAISOZCLH-HSZRJFAPSA-N 0 0 437.496 3.507 50 0 IHAARN Cc1c(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)ccc2c3c(c(=O)oc12)CCC3 ZINC000009409719 569531166 /nfs/dbraw/zinc/53/11/66/569531166.db2.gz WWUOTEGIJWDXLA-UHFFFAOYSA-N 0 0 434.467 3.948 50 0 IHAARN CCOc1ccc(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)cc1 ZINC000009410100 569531298 /nfs/dbraw/zinc/53/12/98/569531298.db2.gz UVOUTNVEYYSYKN-FQEVSTJZSA-N 0 0 427.526 3.975 50 0 IHAARN CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009411057 569531459 /nfs/dbraw/zinc/53/14/59/569531459.db2.gz PDIMQPXDLBNESV-LEWJYISDSA-N 0 0 428.579 3.597 50 0 IHAARN Fc1cccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)c1 ZINC000009412535 569531618 /nfs/dbraw/zinc/53/16/18/569531618.db2.gz HVODYPZXUSQAID-UHFFFAOYSA-N 0 0 438.488 3.585 50 0 IHAARN O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 ZINC000009413268 569531732 /nfs/dbraw/zinc/53/17/32/569531732.db2.gz QGEPALZSCJEKQX-WJOKGBTCSA-N 0 0 435.480 3.944 50 0 IHAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)c(OC)c1 ZINC000009413839 569531885 /nfs/dbraw/zinc/53/18/85/569531885.db2.gz COOMBXLYTGAFBR-LJAQVGFWSA-N 0 0 431.901 3.558 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000009414486 569531988 /nfs/dbraw/zinc/53/19/88/569531988.db2.gz CKFNCTQNTBZRJH-SUMWQHHRSA-N 0 0 443.569 3.517 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NCC3CCCCC3)C2=O)cc1C ZINC000009414606 569532025 /nfs/dbraw/zinc/53/20/25/569532025.db2.gz ZDXOLUNNYOYJDQ-AREMUKBSSA-N 0 0 433.552 3.795 50 0 IHAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4OC)nn32)cc1 ZINC000009415260 569532155 /nfs/dbraw/zinc/53/21/55/569532155.db2.gz VPRINXFMPXVKEM-UHFFFAOYSA-N 0 0 435.509 3.929 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)cc1 ZINC000009416328 569532263 /nfs/dbraw/zinc/53/22/63/569532263.db2.gz XRCOHMZIRKOZAW-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN CCOC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O ZINC000009423376 569532959 /nfs/dbraw/zinc/53/29/59/569532959.db2.gz SSAXYIKJHOPTBW-UHFFFAOYSA-N 0 0 439.493 3.681 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)c(OC)ccc3OC)cc1 ZINC000009427559 569533383 /nfs/dbraw/zinc/53/33/83/569533383.db2.gz RYHJUBZXHVETDE-UHFFFAOYSA-N 0 0 449.554 3.596 50 0 IHAARN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000009429583 569533708 /nfs/dbraw/zinc/53/37/08/569533708.db2.gz MDVOAZKUEHQDMT-MFOYZWKCSA-N 0 0 429.498 3.764 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC)S3)cc1 ZINC000009430053 569533877 /nfs/dbraw/zinc/53/38/77/569533877.db2.gz BGAVURJIBWOQLL-GOSISDBHSA-N 0 0 448.566 3.711 50 0 IHAARN CCn1c2nnc(CCCC(=O)Nc3cccc(SC)c3)n2c2ccsc2c1=O ZINC000009431392 569534170 /nfs/dbraw/zinc/53/41/70/569534170.db2.gz CAVVOEJCHQQFMM-UHFFFAOYSA-N 0 0 427.555 3.809 50 0 IHAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1 ZINC000009431741 569534259 /nfs/dbraw/zinc/53/42/59/569534259.db2.gz NZBQNTHSLRCFMF-KRWDZBQOSA-N 0 0 426.904 3.931 50 0 IHAARN CCCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCOC ZINC000009431972 569534281 /nfs/dbraw/zinc/53/42/81/569534281.db2.gz OKHSGOGCDWPTGG-SANMLTNESA-N 0 0 446.503 3.594 50 0 IHAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000009435081 569534795 /nfs/dbraw/zinc/53/47/95/569534795.db2.gz FRLSKNCWTUZFAA-FYJGNVAPSA-N 0 0 446.459 3.824 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(Cl)c1 ZINC000009440786 569535285 /nfs/dbraw/zinc/53/52/85/569535285.db2.gz LIWUTKOAPCQXIE-GFCCVEGCSA-N 0 0 438.958 3.884 50 0 IHAARN O=C(COC(=O)c1ccccc1SCC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000009441005 569535296 /nfs/dbraw/zinc/53/52/96/569535296.db2.gz DIMXWHGWVIRZPO-UHFFFAOYSA-N 0 0 448.544 3.568 50 0 IHAARN CCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009442230 569535488 /nfs/dbraw/zinc/53/54/88/569535488.db2.gz FGAOSYXTTIGMDM-UHFFFAOYSA-N 0 0 444.475 3.778 50 0 IHAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009446445 569535880 /nfs/dbraw/zinc/53/58/80/569535880.db2.gz LXTZMBHULULCJO-NRFANRHFSA-N 0 0 431.517 3.906 50 0 IHAARN Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000009446479 569535905 /nfs/dbraw/zinc/53/59/05/569535905.db2.gz RISZWFXHBVQANV-UHFFFAOYSA-N 0 0 438.553 3.998 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009447871 569536047 /nfs/dbraw/zinc/53/60/47/569536047.db2.gz FRVLMADIKPWGKC-IBGZPJMESA-N 0 0 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CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009460332 569536971 /nfs/dbraw/zinc/53/69/71/569536971.db2.gz BEFFMGWQDCPMDD-AWEZNQCLSA-N 0 0 447.488 3.824 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000009462163 569537268 /nfs/dbraw/zinc/53/72/68/569537268.db2.gz HHJQIWBPCDOHAB-HNNXBMFYSA-N 0 0 435.915 3.929 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@@H]1C ZINC000009464373 569537639 /nfs/dbraw/zinc/53/76/39/569537639.db2.gz PKJNQZKOIJLFOI-MBOZVWFJSA-N 0 0 436.581 3.873 50 0 IHAARN CCOc1ccc(NC(=O)COC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009465129 569537820 /nfs/dbraw/zinc/53/78/20/569537820.db2.gz KQLJJBQPNQCCGZ-INIZCTEOSA-N 0 0 430.526 3.636 50 0 IHAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000009465953 569538083 /nfs/dbraw/zinc/53/80/83/569538083.db2.gz ARPKNJRKFMPEMM-JOCHJYFZSA-N 0 0 429.904 3.761 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1)CCC2 ZINC000009466600 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448.483 3.501 50 0 IHAARN COc1ccc2c(COC(=O)[C@@H]3CC(=O)N(c4cccc(SC)c4)C3)cc(=O)oc2c1 ZINC000010265183 569580013 /nfs/dbraw/zinc/58/00/13/569580013.db2.gz XCKYJSDEDHFTFB-CQSZACIVSA-N 0 0 439.489 3.620 50 0 IHAARN Cc1c(C)n(-c2cccc(C)c2C)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n12 ZINC000010271872 569580052 /nfs/dbraw/zinc/58/00/52/569580052.db2.gz VMUWOWKJQMHEFV-UHFFFAOYSA-N 0 0 441.535 3.729 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000010276009 569580434 /nfs/dbraw/zinc/58/04/34/569580434.db2.gz CGIYOZPUMSACOF-AWEZNQCLSA-N 0 0 447.507 3.527 50 0 IHAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)nc2)n1 ZINC000071768350 569580689 /nfs/dbraw/zinc/58/06/89/569580689.db2.gz FVZIHNLABRMCTL-UHFFFAOYSA-N 0 0 426.839 3.602 50 0 IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)c2)n1 ZINC000071768548 569580750 /nfs/dbraw/zinc/58/07/50/569580750.db2.gz HSGFVELFAHUZAN-UHFFFAOYSA-N 0 0 432.484 3.597 50 0 IHAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(C)ccc3OC)C2=O)cc1 ZINC000071768976 569580820 /nfs/dbraw/zinc/58/08/20/569580820.db2.gz HZTLDNBSQVEKLX-UHFFFAOYSA-N 0 0 435.524 3.943 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1 ZINC000010337561 569581318 /nfs/dbraw/zinc/58/13/18/569581318.db2.gz PQDJGJWIVGMKDE-UHFFFAOYSA-N 0 0 433.530 3.783 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sccc4c3)CC2)cc1 ZINC000010337674 569581371 /nfs/dbraw/zinc/58/13/71/569581371.db2.gz CLXHFTDTIQYNAA-UHFFFAOYSA-N 0 0 430.551 3.949 50 0 IHAARN C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC(=O)NC1CC1 ZINC000010394978 569581896 /nfs/dbraw/zinc/58/18/96/569581896.db2.gz CSGMNEIRAYTMIV-LBPRGKRZSA-N 0 0 443.479 3.681 50 0 IHAARN O=C(/C=C/c1ccc(I)o1)NCc1cccnc1N1CCCCC1 ZINC000071831473 569582088 /nfs/dbraw/zinc/58/20/88/569582088.db2.gz JKRXUXUUSAKIDO-VQHVLOKHSA-N 0 0 437.281 3.599 50 0 IHAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCCC2=O)cc1 ZINC000010454989 569582345 /nfs/dbraw/zinc/58/23/45/569582345.db2.gz ZKQMUHRBIYZIME-UHFFFAOYSA-N 0 0 437.584 3.542 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@@H](C)C2 ZINC000071874126 569582662 /nfs/dbraw/zinc/58/26/62/569582662.db2.gz PUFUAFICQANQBX-LLVKDONJSA-N 0 0 425.510 3.869 50 0 IHAARN COc1cc2c(cc(C(=O)NCCC(=O)Nc3nc4ccccc4s3)n2C)c(OC)c1 ZINC000012323117 569584345 /nfs/dbraw/zinc/58/43/45/569584345.db2.gz HUAZJSIVCLDOBX-UHFFFAOYSA-N 0 0 438.509 3.564 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000077100605 569585450 /nfs/dbraw/zinc/58/54/50/569585450.db2.gz AHTDXZNKDFDEHJ-OAHLLOKOSA-N 0 0 441.919 3.645 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NCCc3nc4c(c(C(F)(F)F)n3)CCCC4)c2O1 ZINC000077101230 569585606 /nfs/dbraw/zinc/58/56/06/569585606.db2.gz QBMWJDXENQFOCW-UHFFFAOYSA-N 0 0 449.473 3.825 50 0 IHAARN COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000077184401 569585852 /nfs/dbraw/zinc/58/58/52/569585852.db2.gz MHIMRBODAKRBIQ-XMMPIXPASA-N 0 0 438.911 3.978 50 0 IHAARN O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000077190722 569585877 /nfs/dbraw/zinc/58/58/77/569585877.db2.gz AJIBOEOGHJAEHV-UHFFFAOYSA-N 0 0 432.402 3.597 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000077192054 569586012 /nfs/dbraw/zinc/58/60/12/569586012.db2.gz CBUUKGDPEAPCFL-HNNXBMFYSA-N 0 0 436.921 3.513 50 0 IHAARN C[C@@H](NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000077198069 569586276 /nfs/dbraw/zinc/58/62/76/569586276.db2.gz XCXQGHVOVMNPQV-BUBBNXEVSA-N 0 0 440.510 3.989 50 0 IHAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000077200179 569586379 /nfs/dbraw/zinc/58/63/79/569586379.db2.gz VCHCNQKSLKIMJY-LKUPVBHCSA-N 0 0 439.487 3.855 50 0 IHAARN CC(C)c1ccc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 ZINC000077200536 569586427 /nfs/dbraw/zinc/58/64/27/569586427.db2.gz JJKUQYXJHXCCSN-UHFFFAOYSA-N 0 0 431.540 3.944 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000077200903 569586567 /nfs/dbraw/zinc/58/65/67/569586567.db2.gz SOLXKUCRJQPHTE-UHFFFAOYSA-N 0 0 436.487 3.867 50 0 IHAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccco2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034710672 569587538 /nfs/dbraw/zinc/58/75/38/569587538.db2.gz RADFNPMGCZGDQH-RTBURBONSA-N 0 0 443.544 3.528 50 0 IHAARN CCS(=O)(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc21 ZINC000001063895 291367440 /nfs/dbraw/zinc/36/74/40/291367440.db2.gz LWJWOOSNRIMNJG-UHFFFAOYSA-N 0 0 446.525 3.622 50 0 biogenic,in-vitro IHAARN COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000000638195 193866338 /nfs/dbraw/zinc/86/63/38/193866338.db2.gz VCFGAHWZKZZEJL-UHFFFAOYSA-N 0 0 440.521 3.776 50 0 IHAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000639924 193867331 /nfs/dbraw/zinc/86/73/31/193867331.db2.gz RHMUGLJEFKTNFG-JOCHJYFZSA-N 0 0 437.496 3.512 50 0 IHAARN COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(Cl)cc2)cn1 ZINC000006181880 193888919 /nfs/dbraw/zinc/88/89/19/193888919.db2.gz MXKMOMSIUHSPMI-CCEZHUSRSA-N 0 0 435.716 3.944 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000009835039 193901334 /nfs/dbraw/zinc/90/13/34/193901334.db2.gz WDFFZBGRQKKZOA-KRWDZBQOSA-N 0 0 443.569 3.575 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009837766 193902805 /nfs/dbraw/zinc/90/28/05/193902805.db2.gz BBWZWAMLBVGDLD-UHFFFAOYSA-N 0 0 441.509 3.636 50 0 IHAARN CCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000009837944 193903018 /nfs/dbraw/zinc/90/30/18/193903018.db2.gz IXQITJYIPUBLCA-UHFFFAOYSA-N 0 0 426.542 3.731 50 0 IHAARN CCc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000009848566 193906699 /nfs/dbraw/zinc/90/66/99/193906699.db2.gz KUHAYCJKPRDWKM-UHFFFAOYSA-N 0 0 434.565 3.754 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000009855662 193908434 /nfs/dbraw/zinc/90/84/34/193908434.db2.gz GVQNCWFGWABHJO-UHFFFAOYSA-N 0 0 440.455 3.908 50 0 IHAARN C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009208225 132227610 /nfs/dbraw/zinc/22/76/10/132227610.db2.gz HFXDLIVMUQBCPM-KRWDZBQOSA-N 0 0 434.569 3.504 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)cc1 ZINC000000692026 132229454 /nfs/dbraw/zinc/22/94/54/132229454.db2.gz QXWGYYODXUVZSU-QGZVFWFLSA-N 0 0 431.458 3.716 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000000738576 132229972 /nfs/dbraw/zinc/22/99/72/132229972.db2.gz LWTFZVAYUNRFFF-UHFFFAOYSA-N 0 0 429.520 3.975 50 0 IHAARN O=C(Cn1c2ccccc2nc1S(=O)(=O)Cc1ccccc1)N1CCCc2ccccc21 ZINC000009707436 132236893 /nfs/dbraw/zinc/23/68/93/132236893.db2.gz QBPDJBVGANMTQH-UHFFFAOYSA-N 0 0 445.544 3.990 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000009716979 132238991 /nfs/dbraw/zinc/23/89/91/132238991.db2.gz OCVGHAUBAYHORR-UHFFFAOYSA-N 0 0 443.569 3.722 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@H](c2c(F)cccc2F)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000009793591 132244330 /nfs/dbraw/zinc/24/43/30/132244330.db2.gz DGGWHYRETDCXDC-HXUWFJFHSA-N 0 0 445.491 3.534 50 0 IHAARN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 ZINC000001399691 132244890 /nfs/dbraw/zinc/24/48/90/132244890.db2.gz BPIGSEKFWFYUKC-INIZCTEOSA-N 0 0 449.834 3.878 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000010343774 132246203 /nfs/dbraw/zinc/24/62/03/132246203.db2.gz KODCCMLUXNKBDT-UHFFFAOYSA-N 0 0 433.961 3.795 50 0 IHAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1C(=O)CCC1=O ZINC000002259093 132250407 /nfs/dbraw/zinc/25/04/07/132250407.db2.gz CINBBWWRBJIWLC-UHFFFAOYSA-N 0 0 434.564 3.945 50 0 IHAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCOCC2)cc1 ZINC000002627529 132255515 /nfs/dbraw/zinc/25/55/15/132255515.db2.gz OMLQRKNYIRFRHR-UHFFFAOYSA-N 0 0 427.555 3.849 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000003267721 132262938 /nfs/dbraw/zinc/26/29/38/132262938.db2.gz HANKXLMFFOPERW-UHFFFAOYSA-N 0 0 442.610 3.698 50 0 IHAARN Cn1cccc1C(=O)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003369666 132264811 /nfs/dbraw/zinc/26/48/11/132264811.db2.gz BZSQQNKWUXSINE-UHFFFAOYSA-N 0 0 435.505 3.518 50 0 IHAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000004109654 132269701 /nfs/dbraw/zinc/26/97/01/132269701.db2.gz XIOJNOCJPWNTOA-UHFFFAOYSA-N 0 0 448.548 3.677 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@@H](C(=O)NCc3ccc(F)cc3)C1)C[C@H](C)O2 ZINC000006842460 132279585 /nfs/dbraw/zinc/27/95/85/132279585.db2.gz ASSCVXAIOFQHFV-PKOBYXMFSA-N 0 0 425.504 3.870 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2C[C@H]1C ZINC000008595167 132284767 /nfs/dbraw/zinc/28/47/67/132284767.db2.gz GACNAGNKTFYAMH-MRXNPFEDSA-N 0 0 447.988 3.539 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000008897185 132297143 /nfs/dbraw/zinc/29/71/43/132297143.db2.gz MUOAMVYLXPEIOF-UHFFFAOYSA-N 0 0 443.569 3.625 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCOCC5)sc4c3)C[C@H]2C)c1 ZINC000008912767 132297581 /nfs/dbraw/zinc/29/75/81/132297581.db2.gz KEGJDMLQIZEHMI-GOSISDBHSA-N 0 0 436.581 3.792 50 0 IHAARN Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000008990489 132299470 /nfs/dbraw/zinc/29/94/70/132299470.db2.gz IHZZXHYFQVOWGJ-KRWDZBQOSA-N 0 0 432.499 3.869 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000009056253 132301310 /nfs/dbraw/zinc/30/13/10/132301310.db2.gz XJOHXPSTDCQWMW-UHFFFAOYSA-N 0 0 437.569 3.535 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4ccc(C)cc4)o3)CC2)c1 ZINC000009115693 132303756 /nfs/dbraw/zinc/30/37/56/132303756.db2.gz DVIGQHWLEBLSJW-WJOKGBTCSA-N 0 0 438.549 3.867 50 0 IHAARN Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c1 ZINC000009117858 132304240 /nfs/dbraw/zinc/30/42/40/132304240.db2.gz VMBCLWJMUIMGRY-SSEXGKCCSA-N 0 0 426.513 3.997 50 0 IHAARN CCc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc(C)c2)c4=O)cc1 ZINC000009160861 132307382 /nfs/dbraw/zinc/30/73/82/132307382.db2.gz NPVJKMNVKJITIT-GOSISDBHSA-N 0 0 443.551 3.604 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 ZINC000009211063 132308878 /nfs/dbraw/zinc/30/88/78/132308878.db2.gz ARTCBPUTHNFKDK-SFHVURJKSA-N 0 0 432.528 3.610 50 0 IHAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211266 132309102 /nfs/dbraw/zinc/30/91/02/132309102.db2.gz PYISVAFVZVRPAO-UHFFFAOYSA-N 0 0 438.963 3.739 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1Br)C[C@@H](C)O2 ZINC000009287051 132312667 /nfs/dbraw/zinc/31/26/67/132312667.db2.gz SLTRRYLGKKDGMV-OAHLLOKOSA-N 0 0 431.330 3.968 50 0 IHAARN Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2oc1=O ZINC000009302869 132313163 /nfs/dbraw/zinc/31/31/63/132313163.db2.gz PLWXMMWVDVZHTI-UHFFFAOYSA-N 0 0 444.890 3.930 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3c4ccccc4nc3-c3cscn3)CC2)c1 ZINC000009337980 132313978 /nfs/dbraw/zinc/31/39/78/132313978.db2.gz GGXGOYQHHILKOU-UHFFFAOYSA-N 0 0 433.537 3.517 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000009348038 132314107 /nfs/dbraw/zinc/31/41/07/132314107.db2.gz JWQUWRABOOCAJZ-SFHVURJKSA-N 0 0 438.499 3.973 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009354819 132314180 /nfs/dbraw/zinc/31/41/80/132314180.db2.gz JNGOHCPHUWWLQE-UHFFFAOYSA-N 0 0 443.503 3.691 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000009379528 132314773 /nfs/dbraw/zinc/31/47/73/132314773.db2.gz UJVLFJFETAXGHH-UHFFFAOYSA-N 0 0 444.487 3.778 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=NN(c3cc(C)ccc3C)C(=O)CC1)CC2 ZINC000009410046 132315939 /nfs/dbraw/zinc/31/59/39/132315939.db2.gz BKRUBLCHBNNRSY-KRWDZBQOSA-N 0 0 435.524 3.949 50 0 IHAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(c2ccccc2)CC1 ZINC000009468722 132318484 /nfs/dbraw/zinc/31/84/84/132318484.db2.gz WUUYTRJHVLMZEQ-UHFFFAOYSA-N 0 0 439.610 3.706 50 0 IHAARN 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CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000012867410 519706732 /nfs/dbraw/zinc/70/67/32/519706732.db2.gz LZQZVSXWZQKRNN-UHFFFAOYSA-N 0 0 428.832 3.664 50 0 IHAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000035553025 519709892 /nfs/dbraw/zinc/70/98/92/519709892.db2.gz ZDYAYIJAZCJQAX-UHFFFAOYSA-N 0 0 431.496 3.535 50 0 IHAARN CC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1cccc(Br)c1 ZINC000021653662 519718150 /nfs/dbraw/zinc/71/81/50/519718150.db2.gz XUAQPLUSQGBSBU-UHFFFAOYSA-N 0 0 444.333 3.759 50 0 IHAARN C=C1C(Nc2ccc(NC(C)=O)cc2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000020901033 519726462 /nfs/dbraw/zinc/72/64/62/519726462.db2.gz WLWIOLFOZBPROE-UHFFFAOYSA-N 0 0 434.315 3.993 50 0 IHAARN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000011965896 519733800 /nfs/dbraw/zinc/73/38/00/519733800.db2.gz XOHUVFVEWORCTQ-UHFFFAOYSA-N 0 0 444.582 3.836 50 0 IHAARN CC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)c1 ZINC000021657347 519741200 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ZINC000065167027 521219977 /nfs/dbraw/zinc/21/99/77/521219977.db2.gz DJBBIVNAYJDJAA-QHCPKHFHSA-N 0 0 433.552 3.923 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)[C@H](C(=O)N1CCCCC1)C2 ZINC000065166997 521220037 /nfs/dbraw/zinc/22/00/37/521220037.db2.gz YTKNJBJPOXHXOV-QFIPXVFZSA-N 0 0 449.551 3.623 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(C)c3)co2)s1 ZINC000016047756 521233145 /nfs/dbraw/zinc/23/31/45/521233145.db2.gz AIJOBSVSGFJRFC-UHFFFAOYSA-N 0 0 431.495 3.660 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000012291647 521246289 /nfs/dbraw/zinc/24/62/89/521246289.db2.gz OXYQSKGJXKRNST-BXWFABGCSA-N 0 0 442.821 3.843 50 0 IHAARN CCOc1ccc([C@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000035373191 521274443 /nfs/dbraw/zinc/27/44/43/521274443.db2.gz ZLDWGHRJCXQEEC-XMMPIXPASA-N 0 0 445.519 3.532 50 0 IHAARN CCOc1ccc2nc(NC(=O)C3CCN(c4ncnc5onc(C)c54)CC3)sc2c1 ZINC000020944525 521303592 /nfs/dbraw/zinc/30/35/92/521303592.db2.gz YRYQCEGUVFQXRL-UHFFFAOYSA-N 0 0 438.513 3.790 50 0 IHAARN CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)c(C)c2c1 ZINC000018838082 521310577 /nfs/dbraw/zinc/31/05/77/521310577.db2.gz MKVAOPQTMGUENL-UHFFFAOYSA-N 0 0 432.498 3.651 50 0 IHAARN CCCCc1nnc(NC(=O)CSCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 ZINC000021042282 521324195 /nfs/dbraw/zinc/32/41/95/521324195.db2.gz XYZQUALEJFOGQL-UHFFFAOYSA-N 0 0 449.627 3.701 50 0 IHAARN CCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)s1 ZINC000022742679 521327467 /nfs/dbraw/zinc/32/74/67/521327467.db2.gz PLOQXOXNGJHWLV-UHFFFAOYSA-N 0 0 446.554 3.942 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 ZINC000022092200 521332149 /nfs/dbraw/zinc/33/21/49/521332149.db2.gz ORXMDHIJEKYMFK-SFHVURJKSA-N 0 0 431.558 3.548 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000012746270 521342899 /nfs/dbraw/zinc/34/28/99/521342899.db2.gz DLSXKGYGWGPXOR-CQSZACIVSA-N 0 0 428.583 3.830 50 0 IHAARN 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CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000036025976 522469644 /nfs/dbraw/zinc/46/96/44/522469644.db2.gz KYABEEKENPVYOU-UHFFFAOYSA-N 0 0 432.572 3.834 50 0 IHAARN CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532646 522488645 /nfs/dbraw/zinc/48/86/45/522488645.db2.gz UPMYTPRXDKLLJS-UHFFFAOYSA-N 0 0 445.972 3.637 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000012820969 522512158 /nfs/dbraw/zinc/51/21/58/522512158.db2.gz JTYQHASYXDFKFI-UHFFFAOYSA-N 0 0 431.968 3.640 50 0 IHAARN CN(CC(=O)Nc1ncc(Cc2ccccc2)s1)S(=O)(=O)/C=C/c1ccccc1 ZINC000012877530 522523561 /nfs/dbraw/zinc/52/35/61/522523561.db2.gz YBDRSXKPJLUTTO-OUKQBFOZSA-N 0 0 427.551 3.605 50 0 IHAARN COc1cc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(OC)cc1Cl ZINC000012907022 522659042 /nfs/dbraw/zinc/65/90/42/522659042.db2.gz MAJLDAMEPJBRNB-HNNXBMFYSA-N 0 0 431.920 3.646 50 0 IHAARN COc1cc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc(OC)c1 ZINC000022506382 522703241 /nfs/dbraw/zinc/70/32/41/522703241.db2.gz YDKDSOXBHSMFKF-UHFFFAOYSA-N 0 0 425.894 3.541 50 0 IHAARN COCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)C(C)C ZINC000036049417 522733014 /nfs/dbraw/zinc/73/30/14/522733014.db2.gz JCKPYFJYUBKVPP-UHFFFAOYSA-N 0 0 434.540 3.978 50 0 IHAARN COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1Cl ZINC000021360861 522801223 /nfs/dbraw/zinc/80/12/23/522801223.db2.gz IWQZUQXLVDAUHL-UHFFFAOYSA-N 0 0 434.924 3.854 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(-c4cccc(F)c4)n3)CC2)c1 ZINC000035890273 522849556 /nfs/dbraw/zinc/84/95/56/522849556.db2.gz IXAINCUZBDDVFE-UHFFFAOYSA-N 0 0 436.487 3.571 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1 ZINC000012828349 522853482 /nfs/dbraw/zinc/85/34/82/522853482.db2.gz QMDLEXLAURFJQG-LJQANCHMSA-N 0 0 431.558 3.822 50 0 IHAARN CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1 ZINC000012404090 522872911 /nfs/dbraw/zinc/87/29/11/522872911.db2.gz WWIGNBPJZHTHOD-VJBMBRPKSA-N 0 0 426.557 3.939 50 0 IHAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccccc2)c1OC ZINC000022589765 522896168 /nfs/dbraw/zinc/89/61/68/522896168.db2.gz FBPBGNZCLBXYJZ-UHFFFAOYSA-N 0 0 430.457 3.896 50 0 IHAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000022402825 522907691 /nfs/dbraw/zinc/90/76/91/522907691.db2.gz WYSULNVMUITSMA-UHFFFAOYSA-N 0 0 425.916 3.927 50 0 IHAARN CN(CCOc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000012860682 522912384 /nfs/dbraw/zinc/91/23/84/522912384.db2.gz QNYIMMXQCOOHOG-UHFFFAOYSA-N 0 0 445.357 3.839 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1O ZINC000021177304 522924322 /nfs/dbraw/zinc/92/43/22/522924322.db2.gz GWJQCUCVRIAUHQ-ZDUSSCGKSA-N 0 0 436.493 3.987 50 0 IHAARN COCc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)o1 ZINC000012152467 522968827 /nfs/dbraw/zinc/96/88/27/522968827.db2.gz GTYFYVNLOIYKPS-GOSISDBHSA-N 0 0 443.573 3.516 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1cnc(SC)n1-c1ccc(F)cc1)CC2 ZINC000036726119 523029166 /nfs/dbraw/zinc/02/91/66/523029166.db2.gz DHRCTHOQIHCYGK-UHFFFAOYSA-N 0 0 427.501 3.949 50 0 IHAARN COc1cc2nc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)sc2cc1OC ZINC000012792842 523068123 /nfs/dbraw/zinc/06/81/23/523068123.db2.gz BDXWMKWXKYWRIU-HNNXBMFYSA-N 0 0 427.482 3.683 50 0 IHAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cs2)cc1OC ZINC000012766887 523187332 /nfs/dbraw/zinc/18/73/32/523187332.db2.gz MZBVJTBXZXXBSG-UHFFFAOYSA-N 0 0 425.510 3.846 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccccc4F)CC3)cs2)cc1OC ZINC000017844952 523189482 /nfs/dbraw/zinc/18/94/82/523189482.db2.gz IIKVEKUFWFQBLN-UHFFFAOYSA-N 0 0 441.528 3.924 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000012798864 523193550 /nfs/dbraw/zinc/19/35/50/523193550.db2.gz MTMPGDWHPSITSE-UHFFFAOYSA-N 0 0 443.297 3.845 50 0 IHAARN CC[C@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 ZINC000012675376 523209375 /nfs/dbraw/zinc/20/93/75/523209375.db2.gz NHCGOPDQALUXIP-HNNXBMFYSA-N 0 0 434.583 3.536 50 0 IHAARN COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1O ZINC000020467727 523223466 /nfs/dbraw/zinc/22/34/66/523223466.db2.gz ZPAGDLSQMMMQRN-UHFFFAOYSA-N 0 0 431.242 3.619 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000012630327 523227946 /nfs/dbraw/zinc/22/79/46/523227946.db2.gz JUEFNARAPQFMJI-OAHLLOKOSA-N 0 0 441.532 3.967 50 0 IHAARN COc1ccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(N3CCc4ccccc4C3)n2)cc1 ZINC000035988105 523237262 /nfs/dbraw/zinc/23/72/62/523237262.db2.gz FOMRJBWQMMZUIN-QFIPXVFZSA-N 0 0 444.535 3.624 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 ZINC000012736340 523240876 /nfs/dbraw/zinc/24/08/76/523240876.db2.gz WKYNCMQBENMBMD-XMMPIXPASA-N 0 0 448.567 3.635 50 0 IHAARN COCc1nnc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)s1 ZINC000021791949 523252427 /nfs/dbraw/zinc/25/24/27/523252427.db2.gz BPJMFPIOZASFSZ-UHFFFAOYSA-N 0 0 437.481 3.727 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3cccc(OC)c3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021640955 523255000 /nfs/dbraw/zinc/25/50/00/523255000.db2.gz BUVSGYWQPVRESD-UHFFFAOYSA-N 0 0 445.523 3.799 50 0 IHAARN CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000012520488 523290515 /nfs/dbraw/zinc/29/05/15/523290515.db2.gz VMURORZUODQJNB-OAHLLOKOSA-N 0 0 446.598 3.734 50 0 IHAARN COCCCN1CCn2c3ccc(NC(=O)c4cccc(Br)c4)cc3nc2C1 ZINC000021800168 523305581 /nfs/dbraw/zinc/30/55/81/523305581.db2.gz CWPMYOZLAVAIJX-UHFFFAOYSA-N 0 0 443.345 3.903 50 0 IHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000015649206 523306173 /nfs/dbraw/zinc/30/61/73/523306173.db2.gz QMBZJYNDTZPTCU-CQSZACIVSA-N 0 0 435.307 3.776 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)c(OC)c1 ZINC000012416104 523320698 /nfs/dbraw/zinc/32/06/98/523320698.db2.gz JYNKPFWISCWENL-UHFFFAOYSA-N 0 0 431.539 3.806 50 0 IHAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000020180626 523425828 /nfs/dbraw/zinc/42/58/28/523425828.db2.gz CFIPWNWTZUIVBO-ULJHMMPZSA-N 0 0 428.488 3.821 50 0 biogenic IHAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc(N3CCCC3=O)cc2)OC1=O ZINC000012824437 523488970 /nfs/dbraw/zinc/48/89/70/523488970.db2.gz JMIFQXNLLUFWQC-ATVHPVEESA-N 0 0 441.281 3.929 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)ccc21 ZINC000021646570 523495866 /nfs/dbraw/zinc/49/58/66/523495866.db2.gz XYRKZYZPVCIMPW-LJQANCHMSA-N 0 0 443.544 3.517 50 0 IHAARN COc1ccc(Br)cc1CSc1nnc(-c2cccc(C)c2)n1CC(N)=O ZINC000012906034 523502536 /nfs/dbraw/zinc/50/25/36/523502536.db2.gz UMGCKYAEASJLCL-UHFFFAOYSA-N 0 0 447.358 3.802 50 0 IHAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000012440844 523628998 /nfs/dbraw/zinc/62/89/98/523628998.db2.gz VRLUJGYTBHQUPU-UHFFFAOYSA-N 0 0 426.561 3.752 50 0 IHAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000012567868 523631502 /nfs/dbraw/zinc/63/15/02/523631502.db2.gz PTODHVNANMSVQG-JOCHJYFZSA-N 0 0 430.888 3.867 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1OC ZINC000012223878 523650262 /nfs/dbraw/zinc/65/02/62/523650262.db2.gz BIRQEZWEYKHIGG-UHFFFAOYSA-N 0 0 448.523 3.865 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035946514 523652719 /nfs/dbraw/zinc/65/27/19/523652719.db2.gz ZKGZLPWAVRHWDZ-HXUWFJFHSA-N 0 0 427.570 3.865 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)C1CCC1 ZINC000035961566 523653323 /nfs/dbraw/zinc/65/33/23/523653323.db2.gz ALDVZVTUSFRVSR-FQEVSTJZSA-N 0 0 443.544 3.840 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)NC(C)C ZINC000035948910 523655380 /nfs/dbraw/zinc/65/53/80/523655380.db2.gz SAGKUFINEWWIES-IBGZPJMESA-N 0 0 446.548 3.631 50 0 IHAARN COc1ccc(C(=O)N2C[C@@H](c3ccccc3OC)[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000036051613 523669777 /nfs/dbraw/zinc/66/97/77/523669777.db2.gz FZYAATDRGOFTHZ-BJKOFHAPSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1OC ZINC000015865486 523752707 /nfs/dbraw/zinc/75/27/07/523752707.db2.gz ZDVUYJUIGJXSET-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000015636603 523764562 /nfs/dbraw/zinc/76/45/62/523764562.db2.gz QFIYTJRIBUTKFK-ZIAGYGMSSA-N 0 0 449.598 3.559 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563454 523785891 /nfs/dbraw/zinc/78/58/91/523785891.db2.gz ZWZCJIIQKYYDHT-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN CC[C@H](C(=O)N[C@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607655 523793912 /nfs/dbraw/zinc/79/39/12/523793912.db2.gz LCZHATCMILARTQ-ZYHUDNBSSA-N 0 0 437.388 3.762 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2OC)C12CCCCC2 ZINC000020739119 523809661 /nfs/dbraw/zinc/80/96/61/523809661.db2.gz KUKUJDQPOPDXRA-QHCPKHFHSA-N 0 0 436.552 3.900 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCO3)C12CCCCC2 ZINC000020738473 523810637 /nfs/dbraw/zinc/81/06/37/523810637.db2.gz OYMJMUIWPAGVNB-JOCHJYFZSA-N 0 0 436.508 3.943 50 0 IHAARN CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000012529724 523840042 /nfs/dbraw/zinc/84/00/42/523840042.db2.gz LBCJYYIZCLJNEP-GOSISDBHSA-N 0 0 442.562 3.746 50 0 IHAARN COc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCC(C)CC4)s3)CC2)cc1 ZINC000065031981 523866440 /nfs/dbraw/zinc/86/64/40/523866440.db2.gz IKPAHMAHJJNWDG-UHFFFAOYSA-N 0 0 448.610 3.525 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000035960380 523875367 /nfs/dbraw/zinc/87/53/67/523875367.db2.gz KYGXYPFWYIKDQG-JOCHJYFZSA-N 0 0 435.524 3.558 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960423 523875615 /nfs/dbraw/zinc/87/56/15/523875615.db2.gz JWLDQEVVUCJWGY-QHCPKHFHSA-N 0 0 435.524 3.640 50 0 IHAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000012868639 523879861 /nfs/dbraw/zinc/87/98/61/523879861.db2.gz FRXHDQLFTLSUIC-AREMUKBSSA-N 0 0 429.472 3.985 50 0 IHAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)CC1 ZINC000034886177 523916074 /nfs/dbraw/zinc/91/60/74/523916074.db2.gz VJOVSTXSRLDZDS-UHFFFAOYSA-N 0 0 435.549 3.542 50 0 IHAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccs3)on1)CCCC2 ZINC000021786006 523921786 /nfs/dbraw/zinc/92/17/86/523921786.db2.gz UXOSLYHCMCIUSC-UHFFFAOYSA-N 0 0 431.539 3.972 50 0 IHAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1Cl ZINC000035405783 523921948 /nfs/dbraw/zinc/92/19/48/523921948.db2.gz WXSODYDZXBSBHH-NRFANRHFSA-N 0 0 431.945 3.534 50 0 IHAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)cc1OC ZINC000021025741 523948193 /nfs/dbraw/zinc/94/81/93/523948193.db2.gz HTUKDTLWLCLKGN-UHFFFAOYSA-N 0 0 446.459 3.500 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)c(OC)c1 ZINC000020515084 523969062 /nfs/dbraw/zinc/96/90/62/523969062.db2.gz MUSFWUKRJNFHEP-PMERELPUSA-N 0 0 431.485 3.716 50 0 IHAARN COc1ccc(CCNC(=O)c2sc3ncnc(N4CCCCC4)c3c2C)cc1OC ZINC000021727739 523972031 /nfs/dbraw/zinc/97/20/31/523972031.db2.gz XIYNDLBRXDIKTI-UHFFFAOYSA-N 0 0 440.569 3.980 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012662230 523997858 /nfs/dbraw/zinc/99/78/58/523997858.db2.gz CPGAMVYAJYBYBY-MQNRADLISA-N 0 0 430.508 3.936 50 0 biogenic IHAARN CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 ZINC000012605187 524001047 /nfs/dbraw/zinc/00/10/47/524001047.db2.gz OMOSWKUWFOFDBJ-LBPRGKRZSA-N 0 0 441.347 3.787 50 0 IHAARN CCc1ccc(OCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000012777283 524003029 /nfs/dbraw/zinc/00/30/29/524003029.db2.gz KKCXZJNDBBHVLH-UYRXBGFRSA-N 0 0 428.485 3.620 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)s1 ZINC000012361710 524012819 /nfs/dbraw/zinc/01/28/19/524012819.db2.gz BNNDTHUKDLUZIF-NRFANRHFSA-N 0 0 432.567 3.923 50 0 IHAARN COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(F)c(F)c2)cc1OC ZINC000012155178 524014984 /nfs/dbraw/zinc/01/49/84/524014984.db2.gz PPWRVPAKZVSSFT-UHFFFAOYSA-N 0 0 434.464 3.768 50 0 IHAARN CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000065474322 524015826 /nfs/dbraw/zinc/01/58/26/524015826.db2.gz PLXJMMOGCXMZMU-AWEZNQCLSA-N 0 0 432.318 3.577 50 0 IHAARN COc1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC ZINC000012805568 524032974 /nfs/dbraw/zinc/03/29/74/524032974.db2.gz HOGIXAMOOPOCSQ-UHFFFAOYSA-N 0 0 445.368 3.517 50 0 IHAARN COc1ccc(CNC(=O)CN2c3ccccc3O/C(=C/c3cccc(OC)c3)C2=O)cc1 ZINC000020180830 524051307 /nfs/dbraw/zinc/05/13/07/524051307.db2.gz JURWVUIFUOSQAE-BUVRLJJBSA-N 0 0 444.487 3.787 50 0 IHAARN CCc1cccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 ZINC000012539114 524061869 /nfs/dbraw/zinc/06/18/69/524061869.db2.gz VHHYAMGFPVTZIM-UHFFFAOYSA-N 0 0 428.562 3.639 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc1 ZINC000033306410 524074070 /nfs/dbraw/zinc/07/40/70/524074070.db2.gz HJXZROYIHQKOJI-CSKARUKUSA-N 0 0 447.538 3.660 50 0 IHAARN CNC(=O)NC(=O)[C@@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000012553116 524078128 /nfs/dbraw/zinc/07/81/28/524078128.db2.gz CLGMNXSSZOIVAG-NRFANRHFSA-N 0 0 432.480 3.556 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 ZINC000035405188 524127738 /nfs/dbraw/zinc/12/77/38/524127738.db2.gz YDGPANJKRSKNEF-UHFFFAOYSA-N 0 0 447.626 3.502 50 0 IHAARN Cc1cccc(-c2nnc(S[C@H](C(=O)NC(N)=O)c3ccccc3)n2Cc2ccco2)c1 ZINC000012684646 524127960 /nfs/dbraw/zinc/12/79/60/524127960.db2.gz SRTVHQQKUQCCIV-IBGZPJMESA-N 0 0 447.520 3.923 50 0 IHAARN Cc1cccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)c(Cl)c4)c3=O)n2)c1 ZINC000033293070 524134696 /nfs/dbraw/zinc/13/46/96/524134696.db2.gz VWWMSIHRJZQZAL-UHFFFAOYSA-N 0 0 432.871 3.951 50 0 IHAARN COc1cccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928094 524187078 /nfs/dbraw/zinc/18/70/78/524187078.db2.gz QPOQPOLELZNTNO-ZEQRLZLVSA-N 0 0 427.504 3.850 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000020853305 524235524 /nfs/dbraw/zinc/23/55/24/524235524.db2.gz ZJKZYMBIVCKPDK-UHFFFAOYSA-N 0 0 429.908 3.783 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1C ZINC000012555660 524251367 /nfs/dbraw/zinc/25/13/67/524251367.db2.gz JOOWEHXAYFGBSM-UHFFFAOYSA-N 0 0 439.581 3.559 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 ZINC000012752249 524272804 /nfs/dbraw/zinc/27/28/04/524272804.db2.gz KMJRWUHFFWSCSN-VQHVLOKHSA-N 0 0 429.923 3.892 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000022915014 524276280 /nfs/dbraw/zinc/27/62/80/524276280.db2.gz YSHGVQCQLMMKHD-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c(C)c1 ZINC000021172001 524279451 /nfs/dbraw/zinc/27/94/51/524279451.db2.gz LSPCJKOPBXNFOH-OAQYLSRUSA-N 0 0 432.568 3.814 50 0 IHAARN Cc1cccc(C)c1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(C)S2(=O)=O ZINC000020582717 524282347 /nfs/dbraw/zinc/28/23/47/524282347.db2.gz RFUNQLYMTIQHEI-UHFFFAOYSA-N 0 0 440.550 3.630 50 0 IHAARN COc1ccccc1-n1cnnc1SCC(=O)N1CCS[C@@H]1c1ccccc1F ZINC000012554081 524306354 /nfs/dbraw/zinc/30/63/54/524306354.db2.gz WBSHTXUMOBRURQ-LJQANCHMSA-N 0 0 430.530 3.781 50 0 IHAARN COc1ccccc1-n1cnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F ZINC000012554083 524306670 /nfs/dbraw/zinc/30/66/70/524306670.db2.gz WBSHTXUMOBRURQ-IBGZPJMESA-N 0 0 430.530 3.781 50 0 IHAARN Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)C2=CCCC2)CC3)c1 ZINC000012245630 524369496 /nfs/dbraw/zinc/36/94/96/524369496.db2.gz UPGGLWPNMFKHAC-JOCHJYFZSA-N 0 0 449.599 3.907 50 0 IHAARN C[C@H]1CC[C@@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000012803724 524372975 /nfs/dbraw/zinc/37/29/75/524372975.db2.gz VQBACKJNZSQYMZ-YWZLYKJASA-N 0 0 437.993 3.932 50 0 IHAARN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 ZINC000020902071 524415317 /nfs/dbraw/zinc/41/53/17/524415317.db2.gz GRMHMNJYUQIVHR-DEOSSOPVSA-N 0 0 428.536 3.553 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 ZINC000022768021 524422616 /nfs/dbraw/zinc/42/26/16/524422616.db2.gz QKTDJRQXBDNBEL-UHFFFAOYSA-N 0 0 431.471 3.854 50 0 IHAARN COc1ccccc1CCc1nnc(CCC(=O)NCCCN2CCCc3ccccc32)o1 ZINC000012203292 524424674 /nfs/dbraw/zinc/42/46/74/524424674.db2.gz FHXJAMHRKFOYDW-UHFFFAOYSA-N 0 0 448.567 3.755 50 0 IHAARN COc1ccccc1CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012583612 524430364 /nfs/dbraw/zinc/43/03/64/524430364.db2.gz SVTMIZBUHGNBHN-UHFFFAOYSA-N 0 0 442.512 3.836 50 0 IHAARN Cc1cc(C)n(-c2cc(NCCNC(=O)c3sc(-c4ccccc4)nc3C)ncn2)n1 ZINC000035597296 524477322 /nfs/dbraw/zinc/47/73/22/524477322.db2.gz BMWRPCPAPNBBBO-UHFFFAOYSA-N 0 0 433.541 3.553 50 0 IHAARN COc1ccccc1CNC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049727 524480532 /nfs/dbraw/zinc/48/05/32/524480532.db2.gz RNLIYQGFESMBAH-UHFFFAOYSA-N 0 0 438.915 3.521 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl ZINC000015077215 524484110 /nfs/dbraw/zinc/48/41/10/524484110.db2.gz PIJQHRVVZZTHBD-CQSZACIVSA-N 0 0 430.936 3.832 50 0 IHAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022908017 524489734 /nfs/dbraw/zinc/48/97/34/524489734.db2.gz WNXPYFZRMYHNOW-QFIPXVFZSA-N 0 0 433.577 3.589 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1 ZINC000035531779 524516882 /nfs/dbraw/zinc/51/68/82/524516882.db2.gz SLXBRKAGPXLTOT-UHFFFAOYSA-N 0 0 443.554 3.501 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000015477611 524525482 /nfs/dbraw/zinc/52/54/82/524525482.db2.gz CQWQVZUVBNWXDH-UHFFFAOYSA-N 0 0 442.512 3.932 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)c(OC)c1 ZINC000012230515 524530936 /nfs/dbraw/zinc/53/09/36/524530936.db2.gz COZNVARTMOESMI-UHFFFAOYSA-N 0 0 426.444 3.531 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)cc2)o1 ZINC000035458080 524558540 /nfs/dbraw/zinc/55/85/40/524558540.db2.gz BQXVEJQJRQHKAN-HSZRJFAPSA-N 0 0 443.503 3.669 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)NCc3ccccc3)CC2)c1C ZINC000021657101 524562405 /nfs/dbraw/zinc/56/24/05/524562405.db2.gz XUWSQAOUKCQMLT-UHFFFAOYSA-N 0 0 447.608 3.829 50 0 IHAARN Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1C ZINC000017135620 524574763 /nfs/dbraw/zinc/57/47/63/524574763.db2.gz RMFYXOBMFSTWMY-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)c1C ZINC000032970883 524589414 /nfs/dbraw/zinc/58/94/14/524589414.db2.gz NEGLQHYFZLXSIN-GCJKJVERSA-N 0 0 436.508 3.551 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c1C ZINC000022935176 524594655 /nfs/dbraw/zinc/59/46/55/524594655.db2.gz XSXIFWFRQWNYCK-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000012934736 524598173 /nfs/dbraw/zinc/59/81/73/524598173.db2.gz IMAJCZGQGAKSBW-UHFFFAOYSA-N 0 0 427.932 3.564 50 0 IHAARN COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(-c3ccc(C)c(C)c3)c2c1=O ZINC000012229147 524606776 /nfs/dbraw/zinc/60/67/76/524606776.db2.gz BRZJOBXKGCVHKW-UHFFFAOYSA-N 0 0 445.523 3.970 50 0 IHAARN Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1C ZINC000012233168 524606986 /nfs/dbraw/zinc/60/69/86/524606986.db2.gz XYAHWRQEQNDNLQ-KRWDZBQOSA-N 0 0 431.521 3.875 50 0 IHAARN COc1ccccc1NC(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1 ZINC000035527656 524613147 /nfs/dbraw/zinc/61/31/47/524613147.db2.gz PHJAHHFQOOUTHA-UHFFFAOYSA-N 0 0 448.458 3.875 50 0 IHAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000016047533 524616921 /nfs/dbraw/zinc/61/69/21/524616921.db2.gz NHDJPPJBHPHQIR-UHFFFAOYSA-N 0 0 426.454 3.706 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000012695446 524619636 /nfs/dbraw/zinc/61/96/36/524619636.db2.gz HPWHAKWRDDIWMB-CQSZACIVSA-N 0 0 434.334 3.664 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2occc2COc2ccccc2)n1 ZINC000012189767 524651583 /nfs/dbraw/zinc/65/15/83/524651583.db2.gz SGIALZLAORKAKC-UHFFFAOYSA-N 0 0 447.451 3.735 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C(=O)NCc3ccc(OC(C)C)cc3)s2)cc1 ZINC000033060199 524657472 /nfs/dbraw/zinc/65/74/72/524657472.db2.gz SSWPQXWBEXGRDV-UHFFFAOYSA-N 0 0 426.498 3.516 50 0 IHAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000033265304 524765007 /nfs/dbraw/zinc/76/50/07/524765007.db2.gz IUFCLYXFSFXHGF-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN COc1ccc(OC)c(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)c1 ZINC000011910039 524815474 /nfs/dbraw/zinc/81/54/74/524815474.db2.gz TXTSLKWLGIANFX-MRXNPFEDSA-N 0 0 440.569 3.853 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531272 524819195 /nfs/dbraw/zinc/81/91/95/524819195.db2.gz UGPJEAKDNHKDEZ-DEOSSOPVSA-N 0 0 444.531 3.630 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)c1 ZINC000032960392 524832239 /nfs/dbraw/zinc/83/22/39/524832239.db2.gz PKPMMEDBOHPWSV-KRWDZBQOSA-N 0 0 438.528 3.698 50 0 IHAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)NCc3csc(C(C)C)n3)o2)c1 ZINC000012432608 524840550 /nfs/dbraw/zinc/84/05/50/524840550.db2.gz HUDYEFLKFGFGQQ-UHFFFAOYSA-N 0 0 430.530 3.507 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035948611 524893370 /nfs/dbraw/zinc/89/33/70/524893370.db2.gz DQQIGANAJBOEHO-SFHVURJKSA-N 0 0 429.542 3.557 50 0 IHAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000012911243 524901271 /nfs/dbraw/zinc/90/12/71/524901271.db2.gz SNLPQDDMPRIANC-NBMUQTNRSA-N 0 0 438.568 3.619 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1F ZINC000012912500 524913802 /nfs/dbraw/zinc/91/38/02/524913802.db2.gz UXVBTMOJXOJCJY-HNNXBMFYSA-N 0 0 448.535 3.732 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2cc(F)cc(F)c2)c1 ZINC000012590676 524925690 /nfs/dbraw/zinc/92/56/90/524925690.db2.gz BLHOUGAFKRJHHZ-UHFFFAOYSA-N 0 0 444.478 3.683 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=O)Oc4ccc(Br)cc4[C@H]3C(C)(C)C2=O)cc1 ZINC000012447771 524930126 /nfs/dbraw/zinc/93/01/26/524930126.db2.gz DJDXMIVSCGGMBJ-DLBZAZTESA-N 0 0 428.282 3.976 50 0 IHAARN Cc1ccc(N2C(NC3=NC4=Nc5ccccc5C4=N3)=N[C@]23c2ccccc2NC3=O)cc1C ZINC000012407277 524932799 /nfs/dbraw/zinc/93/27/99/524932799.db2.gz IXPAHXMTOBNOIM-AREMUKBSSA-N 0 0 445.486 3.777 50 0 IHAARN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 ZINC000020454921 524940494 /nfs/dbraw/zinc/94/04/94/524940494.db2.gz VRVZJJVBVVSONK-SFHVURJKSA-N 0 0 437.975 3.800 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000021268543 524951104 /nfs/dbraw/zinc/95/11/04/524951104.db2.gz SILRDHYVZKQFAU-STQMWFEESA-N 0 0 448.292 3.623 50 0 IHAARN COc1ccc(OCCN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022787312 524957561 /nfs/dbraw/zinc/95/75/61/524957561.db2.gz MMTKMFJMTJHDRN-QGZVFWFLSA-N 0 0 426.492 3.642 50 0 IHAARN Cc1cccc2c1nc(CNS(=O)(=O)c1ccc(F)cc1Cl)nc2N1CCCC1 ZINC000014888790 524966770 /nfs/dbraw/zinc/96/67/70/524966770.db2.gz XMMKEIYHOLKENO-UHFFFAOYSA-N 0 0 434.924 3.809 50 0 IHAARN C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1nnc2ccccn21 ZINC000069516263 524971067 /nfs/dbraw/zinc/97/10/67/524971067.db2.gz HDFRTEZWUPSGES-ZDUSSCGKSA-N 0 0 425.286 3.901 50 0 IHAARN Cc1cccc2sc(NC(=O)CCn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)nc21 ZINC000012440235 524999077 /nfs/dbraw/zinc/99/90/77/524999077.db2.gz XEXLKQQOMRVXGR-UHFFFAOYSA-N 0 0 448.483 3.668 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)Nc1ccc(C(C)=O)cc1 ZINC000009662936 525024492 /nfs/dbraw/zinc/02/44/92/525024492.db2.gz FGNARXMCZPAOCB-UHFFFAOYSA-N 0 0 447.582 3.881 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(SC)c2)cc1 ZINC000015881603 525028213 /nfs/dbraw/zinc/02/82/13/525028213.db2.gz FKGAWTZIMYZPDW-KRWDZBQOSA-N 0 0 434.583 3.989 50 0 IHAARN Cc1ccc(NC(=O)CCc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 ZINC000010158466 525040650 /nfs/dbraw/zinc/04/06/50/525040650.db2.gz DLCCFIBQDMYHPA-HNNXBMFYSA-N 0 0 448.552 3.785 50 0 IHAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000022525219 525052989 /nfs/dbraw/zinc/05/29/89/525052989.db2.gz JUIMXOSASGBCRA-QGZVFWFLSA-N 0 0 448.523 3.572 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3sc(N4CCCCC4)nc3c(=O)n2C)c(F)c1 ZINC000021775128 525079711 /nfs/dbraw/zinc/07/97/11/525079711.db2.gz HABMONHRTIBQQD-UHFFFAOYSA-N 0 0 447.561 3.559 50 0 IHAARN C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000012779701 525081705 /nfs/dbraw/zinc/08/17/05/525081705.db2.gz QZDMVRILVTZVKS-HNNXBMFYSA-N 0 0 437.512 3.700 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)[C@@H]2CCCO2)cc1 ZINC000012391513 525093685 /nfs/dbraw/zinc/09/36/85/525093685.db2.gz QAJDHMDDTILRGP-IBGZPJMESA-N 0 0 434.558 3.720 50 0 IHAARN Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)cc1 ZINC000012814119 525098359 /nfs/dbraw/zinc/09/83/59/525098359.db2.gz GBVGXCIZITXDMY-UHFFFAOYSA-N 0 0 433.537 3.501 50 0 IHAARN Cc1cc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4C)o3)no2)no1 ZINC000021721772 525129619 /nfs/dbraw/zinc/12/96/19/525129619.db2.gz FHOOESATQGYSAF-UHFFFAOYSA-N 0 0 426.458 3.588 50 0 IHAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C(=O)C2CC2)C2CC2)n1CC(C)C ZINC000036039761 525181683 /nfs/dbraw/zinc/18/16/83/525181683.db2.gz CUUVEMLPSFZWGT-UHFFFAOYSA-N 0 0 429.586 3.722 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1 ZINC000012933915 525198823 /nfs/dbraw/zinc/19/88/23/525198823.db2.gz ISLOEVXCJLKGJH-UHFFFAOYSA-N 0 0 447.607 3.704 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000021160207 525212238 /nfs/dbraw/zinc/21/22/38/525212238.db2.gz FHPFEELNYAUHBT-QFIPXVFZSA-N 0 0 432.568 3.905 50 0 IHAARN C[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000012417523 525214176 /nfs/dbraw/zinc/21/41/76/525214176.db2.gz RCXIBGQGEIVURL-UEKVPHQBSA-N 0 0 444.167 3.821 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040926833 525222415 /nfs/dbraw/zinc/22/24/15/525222415.db2.gz QXDVFUHMBXYZAR-UHFFFAOYSA-N 0 0 445.567 3.606 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2COc2ccccc2)no1 ZINC000030187150 525227913 /nfs/dbraw/zinc/22/79/13/525227913.db2.gz DWQDOYORZXIQRJ-KRWDZBQOSA-N 0 0 439.537 3.939 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000012822534 525240205 /nfs/dbraw/zinc/24/02/05/525240205.db2.gz HATPOEDPRSEQBW-QFIPXVFZSA-N 0 0 428.554 3.993 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)NCc4ccccc4F)c3c2)cc1 ZINC000033307469 525242541 /nfs/dbraw/zinc/24/25/41/525242541.db2.gz GWUJATVGVUEZJV-UHFFFAOYSA-N 0 0 433.439 3.611 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036062020 525257614 /nfs/dbraw/zinc/25/76/14/525257614.db2.gz LHLGZKMIKQXFQX-LEWJYISDSA-N 0 0 442.531 3.861 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012929857 525268652 /nfs/dbraw/zinc/26/86/52/525268652.db2.gz GPZOBYDGEWGJHC-QFIPXVFZSA-N 0 0 426.563 3.738 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC000012770906 525270900 /nfs/dbraw/zinc/27/09/00/525270900.db2.gz JYBTYTOLUZOZJT-UHFFFAOYSA-N 0 0 436.942 3.960 50 0 IHAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2)cc1 ZINC000012285431 525280257 /nfs/dbraw/zinc/28/02/57/525280257.db2.gz BJMVJFPJQACIOG-XMMPIXPASA-N 0 0 432.476 3.532 50 0 IHAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000012784939 525306678 /nfs/dbraw/zinc/30/66/78/525306678.db2.gz YMDWRZWERPPICJ-HIFRSBDPSA-N 0 0 434.480 3.787 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)Cc2ccccc2)cc1OC ZINC000012371223 525359566 /nfs/dbraw/zinc/35/95/66/525359566.db2.gz JBPPNNUXNKQQCW-IBGZPJMESA-N 0 0 443.503 3.697 50 0 IHAARN Cc1ccccc1[C@@]1(CC(=O)N(C)C2CCCCC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247274 525397209 /nfs/dbraw/zinc/39/72/09/525397209.db2.gz GJQOPQURBFEEOL-AREMUKBSSA-N 0 0 433.552 3.768 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCC2)cc1 ZINC000035946442 525407042 /nfs/dbraw/zinc/40/70/42/525407042.db2.gz IFLMSXJAQTYVGV-OAQYLSRUSA-N 0 0 425.916 3.943 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012773724 525408030 /nfs/dbraw/zinc/40/80/30/525408030.db2.gz NIZJQJZZSHNLHN-JOCHJYFZSA-N 0 0 446.544 3.599 50 0 IHAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000012772777 525415681 /nfs/dbraw/zinc/41/56/81/525415681.db2.gz SNBQLYMSOJVRAI-QGZVFWFLSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062219 525420502 /nfs/dbraw/zinc/42/05/02/525420502.db2.gz HWKJYNYKKWXPEL-RTWAWAEBSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061982 525422227 /nfs/dbraw/zinc/42/22/27/525422227.db2.gz BSVTXRGSUPSYLK-FGZHOGPDSA-N 0 0 442.531 3.861 50 0 IHAARN Cc1cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)cc1Br ZINC000017154192 525432169 /nfs/dbraw/zinc/43/21/69/525432169.db2.gz DYQDVMIKHUUDTG-UHFFFAOYSA-N 0 0 437.359 3.736 50 0 IHAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000021804374 525450518 /nfs/dbraw/zinc/45/05/18/525450518.db2.gz RTUUBTJMYYITLL-UHFFFAOYSA-N 0 0 442.932 3.624 50 0 IHAARN Cc1ccc(OCc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)n2N)c(C)c1 ZINC000013113363 525453306 /nfs/dbraw/zinc/45/33/06/525453306.db2.gz MYJTZQRXPSWDDW-OAQYLSRUSA-N 0 0 437.569 3.644 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)nc12 ZINC000033067897 525460962 /nfs/dbraw/zinc/46/09/62/525460962.db2.gz ILQASBYCIIBOBA-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(F)c(Cl)c4)CC3=O)c2c1 ZINC000020585128 525492290 /nfs/dbraw/zinc/49/22/90/525492290.db2.gz MBLGIFRHEOKTGL-CQSZACIVSA-N 0 0 429.879 3.999 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 ZINC000033062839 525492947 /nfs/dbraw/zinc/49/29/47/525492947.db2.gz VTUQLIHVJZGVNZ-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN COc1ccc2c(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)c[nH]c2c1 ZINC000012896338 525501680 /nfs/dbraw/zinc/50/16/80/525501680.db2.gz NDOFVWXWCHNJHN-UHFFFAOYSA-N 0 0 434.492 3.891 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000012770451 525534266 /nfs/dbraw/zinc/53/42/66/525534266.db2.gz QVBTUCIDOOMMAQ-QGZVFWFLSA-N 0 0 428.432 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012633588 525537301 /nfs/dbraw/zinc/53/73/01/525537301.db2.gz GHBJLDOKHBIGQK-QFIPXVFZSA-N 0 0 427.570 3.777 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCCOC(C)C)cc1 ZINC000020848889 525551781 /nfs/dbraw/zinc/55/17/81/525551781.db2.gz IOHQYOFQHKJUJU-QHCPKHFHSA-N 0 0 444.597 3.605 50 0 IHAARN CSCC[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nc2ccccc2[nH]1 ZINC000012550166 525555680 /nfs/dbraw/zinc/55/56/80/525555680.db2.gz WSHCXZUSSQRQHF-GOSISDBHSA-N 0 0 431.587 3.649 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018083190 525559715 /nfs/dbraw/zinc/55/97/15/525559715.db2.gz LFBZXRHYVFESHI-YYDVJCTNSA-N 0 0 426.582 3.615 50 0 IHAARN Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675268 525565115 /nfs/dbraw/zinc/56/51/15/525565115.db2.gz IVOVUYAOHTUZRE-KRWDZBQOSA-N 0 0 441.553 3.907 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](c2nc(-c3ccc4c(c3)ncn4C)no2)C(C)C)cc1 ZINC000035453199 525589276 /nfs/dbraw/zinc/58/92/76/525589276.db2.gz WFUHEACQJXIPEC-IBGZPJMESA-N 0 0 425.514 3.607 50 0 IHAARN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000012438088 525593202 /nfs/dbraw/zinc/59/32/02/525593202.db2.gz SLJZKUWMQWWDMC-KJXAQDMKSA-N 0 0 429.538 3.715 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000021279065 525594013 /nfs/dbraw/zinc/59/40/13/525594013.db2.gz DACIOCSJQWTCMT-KRWDZBQOSA-N 0 0 445.928 3.985 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)c(F)c1 ZINC000035535053 525600385 /nfs/dbraw/zinc/60/03/85/525600385.db2.gz LQNVITXXIBNRPW-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1ccc(F)cc1)n2C ZINC000020558193 525604641 /nfs/dbraw/zinc/60/46/41/525604641.db2.gz BSJCHIXHBDPNMA-UHFFFAOYSA-N 0 0 429.451 3.840 50 0 IHAARN Cc1cc2c(cc1F)n(CC(=O)Nc1ccc(F)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535394 525604937 /nfs/dbraw/zinc/60/49/37/525604937.db2.gz FQJWLZGLKRSFPB-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN COc1ccc2cc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)oc2c1 ZINC000012443599 525617926 /nfs/dbraw/zinc/61/79/26/525617926.db2.gz JGQQFXMVCFGBQQ-UHFFFAOYSA-N 0 0 433.445 3.800 50 0 IHAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3F)cc2NC1=O ZINC000020510398 525626451 /nfs/dbraw/zinc/62/64/51/525626451.db2.gz KHKCSJIEALINBH-JTQLQIEISA-N 0 0 442.921 3.714 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)NCc3ccco3)nc2c1 ZINC000012559523 525680020 /nfs/dbraw/zinc/68/00/20/525680020.db2.gz WTKYABFKHNZCNR-UHFFFAOYSA-N 0 0 436.493 3.825 50 0 IHAARN Cc1ccc([C@@H](CC(=O)N2CCN(c3ccccn3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530718 525757918 /nfs/dbraw/zinc/75/79/18/525757918.db2.gz OLIFDVWZFSVACO-XMMPIXPASA-N 0 0 440.547 3.826 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21 ZINC000035402578 525764397 /nfs/dbraw/zinc/76/43/97/525764397.db2.gz DSUDFMAJMJALOF-UHFFFAOYSA-N 0 0 443.956 3.962 50 0 IHAARN Cc1ccc(-c2csc3c2ncn2c(=O)n(CC(=O)Nc4ccc(F)cc4)nc32)cc1 ZINC000021705195 525786370 /nfs/dbraw/zinc/78/63/70/525786370.db2.gz MNVBIJIFDCQAOT-UHFFFAOYSA-N 0 0 433.468 3.859 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1Cc1ccccn1 ZINC000021862220 525794757 /nfs/dbraw/zinc/79/47/57/525794757.db2.gz XHJZNZXGAYGBCO-VWLOTQADSA-N 0 0 431.540 3.685 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000020785080 525799050 /nfs/dbraw/zinc/79/90/50/525799050.db2.gz COTMVXBPVSVYST-QHCPKHFHSA-N 0 0 449.595 3.672 50 0 IHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccc(F)cc3)COC23CCC(C)CC3)c1 ZINC000034921124 525810109 /nfs/dbraw/zinc/81/01/09/525810109.db2.gz QVENPCUTDUJQOI-ONWYWGCKSA-N 0 0 440.515 3.898 50 0 IHAARN Cc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(F)cc4F)cc3=O)s2)cc1 ZINC000032996051 525843135 /nfs/dbraw/zinc/84/31/35/525843135.db2.gz VUXHOSVZJUVQLZ-UHFFFAOYSA-N 0 0 427.436 3.726 50 0 IHAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1C ZINC000012361028 525853404 /nfs/dbraw/zinc/85/34/04/525853404.db2.gz PWBSXNOCSJWULI-UHFFFAOYSA-N 0 0 440.525 3.780 50 0 IHAARN Cc1ccc([C@@](O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1 ZINC000012546017 525868076 /nfs/dbraw/zinc/86/80/76/525868076.db2.gz KFNKLNYNNHRYPY-IBGZPJMESA-N 0 0 445.869 3.913 50 0 IHAARN C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009662248 525887571 /nfs/dbraw/zinc/88/75/71/525887571.db2.gz HUJNDRFWWOZEEX-MRXNPFEDSA-N 0 0 439.537 3.636 50 0 IHAARN C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1)C(N)=O ZINC000012797044 525889207 /nfs/dbraw/zinc/88/92/07/525889207.db2.gz DCICHTKZXKXSDL-AWEZNQCLSA-N 0 0 434.883 3.831 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000012140742 525894380 /nfs/dbraw/zinc/89/43/80/525894380.db2.gz SHGLYYWTQRODPM-UHFFFAOYSA-N 0 0 443.434 3.985 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000012140749 525894433 /nfs/dbraw/zinc/89/44/33/525894433.db2.gz YYQKTKGZPSBFPS-UHFFFAOYSA-N 0 0 439.471 3.523 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NCC(F)(F)F)nnc2N2CCCCC2)cc1 ZINC000012562538 525902616 /nfs/dbraw/zinc/90/26/16/525902616.db2.gz XPNDXIGGBZYZFC-CQSZACIVSA-N 0 0 427.496 3.725 50 0 IHAARN Cc1ccc(-n2c3ncn(Cc4c(F)cccc4F)c3c(=O)n(CC(C)C)c2=O)c(C)c1 ZINC000034694239 525903930 /nfs/dbraw/zinc/90/39/30/525903930.db2.gz JDORSFDFLMCRBK-UHFFFAOYSA-N 0 0 438.478 3.948 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000036025904 525934699 /nfs/dbraw/zinc/93/46/99/525934699.db2.gz ZQUCAQAJPGLXOQ-UHFFFAOYSA-N 0 0 432.553 3.765 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NC[C@H](C)c1ccccc1)c2=O ZINC000015787032 525935001 /nfs/dbraw/zinc/93/50/01/525935001.db2.gz MSVLXBXQGIHHEQ-HNNXBMFYSA-N 0 0 449.942 3.772 50 0 IHAARN C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000012800571 525954300 /nfs/dbraw/zinc/95/43/00/525954300.db2.gz FRGRJQVDPGDRSM-MSOLQXFVSA-N 0 0 441.487 3.833 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(Cl)cc43)CC2)c1 ZINC000020489287 525962758 /nfs/dbraw/zinc/96/27/58/525962758.db2.gz FXUUQADMITWPJU-UHFFFAOYSA-N 0 0 443.931 3.696 50 0 IHAARN Cc1c2cccc(F)c2oc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000036775432 525974762 /nfs/dbraw/zinc/97/47/62/525974762.db2.gz PEHVMPGWWQWWHX-UHFFFAOYSA-N 0 0 432.835 3.788 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417516 525994323 /nfs/dbraw/zinc/99/43/23/525994323.db2.gz DTXSRGRKCODDPD-KRWDZBQOSA-N 0 0 446.526 3.922 50 0 IHAARN CSc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000033011991 525995833 /nfs/dbraw/zinc/99/58/33/525995833.db2.gz DRYYZWMUWRDTHZ-UHFFFAOYSA-N 0 0 430.580 3.921 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000014710524 526000789 /nfs/dbraw/zinc/00/07/89/526000789.db2.gz OMVXATDQGDWCJL-KRWDZBQOSA-N 0 0 434.565 3.532 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000022188521 526001505 /nfs/dbraw/zinc/00/15/05/526001505.db2.gz UQEUDCLKODQZMY-HNNXBMFYSA-N 0 0 426.517 3.720 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022056101 526008703 /nfs/dbraw/zinc/00/87/03/526008703.db2.gz SYKNOVFCMLYLBP-MRXNPFEDSA-N 0 0 426.517 3.701 50 0 IHAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021685228 526010292 /nfs/dbraw/zinc/01/02/92/526010292.db2.gz JNKQZJMFFORPDE-ZDUSSCGKSA-N 0 0 426.498 3.687 50 0 IHAARN C[C@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)C(=O)N1CCc2ccccc2C1 ZINC000021699266 526012258 /nfs/dbraw/zinc/01/22/58/526012258.db2.gz OGSBADSTDZADOI-KRWDZBQOSA-N 0 0 425.602 3.915 50 0 IHAARN COc1cccc(CNc2ncnc3sc(C(=O)NC[C@H]4CCCO4)c(C)c32)c1OC ZINC000012281298 526047028 /nfs/dbraw/zinc/04/70/28/526047028.db2.gz MBOIXLGLQSRBST-OAHLLOKOSA-N 0 0 442.541 3.538 50 0 IHAARN C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012552934 526080915 /nfs/dbraw/zinc/08/09/15/526080915.db2.gz RLHRNSAZOSKHDT-SFHVURJKSA-N 0 0 426.582 3.796 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919208 526114357 /nfs/dbraw/zinc/11/43/57/526114357.db2.gz ONEWUMVOKYLTLF-UHFFFAOYSA-N 0 0 437.565 3.891 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019623 526115363 /nfs/dbraw/zinc/11/53/63/526115363.db2.gz YPZKSQDTWNNTLN-UHFFFAOYSA-N 0 0 441.528 3.640 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012786616 526139023 /nfs/dbraw/zinc/13/90/23/526139023.db2.gz NJSQGUFDVKOEEC-LLVKDONJSA-N 0 0 430.814 3.531 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccccc4Cl)n3)ccc12 ZINC000020736763 526150606 /nfs/dbraw/zinc/15/06/06/526150606.db2.gz NDLITOPCCBTYKR-UHFFFAOYSA-N 0 0 425.828 3.647 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000021785827 526166049 /nfs/dbraw/zinc/16/60/49/526166049.db2.gz HWBFMBTXJBBHSL-CYBMUJFWSA-N 0 0 445.397 3.900 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012926361 526170680 /nfs/dbraw/zinc/17/06/80/526170680.db2.gz OOENDFCEKSUTBR-CYBMUJFWSA-N 0 0 431.286 3.520 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1 ZINC000016960424 526178833 /nfs/dbraw/zinc/17/88/33/526178833.db2.gz HVAZXYIOLWBADL-UHFFFAOYSA-N 0 0 439.562 3.679 50 0 IHAARN Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1CCc1ccc(F)cc1 ZINC000035380483 526205914 /nfs/dbraw/zinc/20/59/14/526205914.db2.gz ZQNPHROEHPEMRY-UHFFFAOYSA-N 0 0 437.515 3.720 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c(C)n1CCC(C)C ZINC000021120045 526211027 /nfs/dbraw/zinc/21/10/27/526211027.db2.gz NMLBYNDXIQDSCK-UHFFFAOYSA-N 0 0 435.524 3.847 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1CCc1cccs1 ZINC000021989278 526211171 /nfs/dbraw/zinc/21/11/71/526211171.db2.gz APLQNFKVAKEODY-UHFFFAOYSA-N 0 0 426.538 3.853 50 0 IHAARN C[C@H](CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995561 526236930 /nfs/dbraw/zinc/23/69/30/526236930.db2.gz XZVJRTCXVZZCRG-QGZVFWFLSA-N 0 0 444.597 3.545 50 0 IHAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)cc(=O)n2c1 ZINC000033068206 526250007 /nfs/dbraw/zinc/25/00/07/526250007.db2.gz POOJTRNFEKUDLA-UHFFFAOYSA-N 0 0 444.447 3.955 50 0 IHAARN Cc1ccc2nc3c(cc(C(=O)NCCCOC(C)C)n3Cc3ccccc3)c(=O)n2c1 ZINC000012421540 526255850 /nfs/dbraw/zinc/25/58/50/526255850.db2.gz OCXJIKRJECVQCX-UHFFFAOYSA-N 0 0 432.524 3.551 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000012772543 526294258 /nfs/dbraw/zinc/29/42/58/526294258.db2.gz KSTZEALDSPFYSE-UHFFFAOYSA-N 0 0 434.359 3.789 50 0 IHAARN Cc1nn2c(nc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2=O)s1 ZINC000020859118 526311146 /nfs/dbraw/zinc/31/11/46/526311146.db2.gz XYNAFBZQKXTYGI-UHFFFAOYSA-N 0 0 426.885 3.944 50 0 IHAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000035479831 526364424 /nfs/dbraw/zinc/36/44/24/526364424.db2.gz BGASUWSXPCTYSI-UHFFFAOYSA-N 0 0 441.963 3.718 50 0 IHAARN O=C(CCC1=NN[C@H](SCc2cccc(F)c2)N(c2ccccc2)C1=O)N1CCCC1 ZINC000021161678 526393736 /nfs/dbraw/zinc/39/37/36/526393736.db2.gz LJPNJKNFRWLWFX-QHCPKHFHSA-N 0 0 440.544 3.738 50 0 IHAARN O=C(NCCc1ccccc1C(F)(F)F)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012315178 526428268 /nfs/dbraw/zinc/42/82/68/526428268.db2.gz JGJHNUUNLQKHKJ-GOSISDBHSA-N 0 0 436.449 3.985 50 0 IHAARN O=C(NCCc1ccccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012448821 526433315 /nfs/dbraw/zinc/43/33/15/526433315.db2.gz WGKOFQKMQIUOOV-FQEVSTJZSA-N 0 0 427.552 3.603 50 0 IHAARN O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012889107 526442885 /nfs/dbraw/zinc/44/28/85/526442885.db2.gz XBSVPFXABJHFRQ-UHFFFAOYSA-N 0 0 447.409 3.815 50 0 IHAARN Cc1csc2nc(COc3cccc(NC(=O)COc4ccccc4F)c3)cc(=O)n12 ZINC000041085728 526454994 /nfs/dbraw/zinc/45/49/94/526454994.db2.gz XAILBJRRSFDMDA-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)cc(=O)n12 ZINC000021632996 526455655 /nfs/dbraw/zinc/45/56/55/526455655.db2.gz OBWLYDRLDZLQMR-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000021540691 526459843 /nfs/dbraw/zinc/45/98/43/526459843.db2.gz KAETZXDPMTUSMI-JKIKYLSZSA-N 0 0 443.569 3.613 50 0 IHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000020356826 526461335 /nfs/dbraw/zinc/46/13/35/526461335.db2.gz IVHRGQSNZBFROH-OAGJVSPASA-N 0 0 449.598 3.628 50 0 IHAARN O=C([C@@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020996286 526470744 /nfs/dbraw/zinc/47/07/44/526470744.db2.gz UINFIMWQIXWWAV-MRXNPFEDSA-N 0 0 441.988 3.910 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000012806492 526494824 /nfs/dbraw/zinc/49/48/24/526494824.db2.gz SUQYWLSVANBNHL-KRWDZBQOSA-N 0 0 435.387 3.732 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N[C@@H](CCn1ccnc1)c1ccccc1 ZINC000012099889 526564764 /nfs/dbraw/zinc/56/47/64/526564764.db2.gz VWTYABMSCRKZEZ-URXFXBBRSA-N 0 0 436.581 3.864 50 0 IHAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC(Oc2cccnc2)CC1 ZINC000012158634 526576231 /nfs/dbraw/zinc/57/62/31/526576231.db2.gz SJLPECGLTHEGSF-DEOSSOPVSA-N 0 0 441.959 3.777 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000020614398 526578948 /nfs/dbraw/zinc/57/89/48/526578948.db2.gz SKROXIXNAPLYHJ-HSZRJFAPSA-N 0 0 435.568 3.975 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000012778873 526579767 /nfs/dbraw/zinc/57/97/67/526579767.db2.gz ZCTPEBXYYKRADY-UHFFFAOYSA-N 0 0 427.551 3.572 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)N[C@H]2CCCc4ccccc42)c(=O)n3C(C)C)no1 ZINC000033306844 526579776 /nfs/dbraw/zinc/57/97/76/526579776.db2.gz VMEATRXTWIPSRM-FQEVSTJZSA-N 0 0 445.523 3.936 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc(Cl)cc2C(N)=O)cs1 ZINC000021761263 526580485 /nfs/dbraw/zinc/58/04/85/526580485.db2.gz NVRBWQLZLXGTGA-UHFFFAOYSA-N 0 0 427.913 3.839 50 0 IHAARN Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015783814 526584696 /nfs/dbraw/zinc/58/46/96/526584696.db2.gz WQLJWWQXRYVOBF-UHFFFAOYSA-N 0 0 434.514 3.550 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000016959996 526595029 /nfs/dbraw/zinc/59/50/29/526595029.db2.gz YJTAHOACXNQENQ-UHFFFAOYSA-N 0 0 442.459 3.941 50 0 IHAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012595114 526604492 /nfs/dbraw/zinc/60/44/92/526604492.db2.gz NBPWPVQPRVYOGM-QFIPXVFZSA-N 0 0 433.443 3.951 50 0 IHAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000035527020 526635466 /nfs/dbraw/zinc/63/54/66/526635466.db2.gz HSFAFTQMMCNKRO-UHFFFAOYSA-N 0 0 430.277 3.668 50 0 IHAARN O=C(NCc1cc2ccccc2s1)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012299547 526644850 /nfs/dbraw/zinc/64/48/50/526644850.db2.gz AZEZYZLSCOGDID-UHFFFAOYSA-N 0 0 431.477 3.979 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000035895222 526690905 /nfs/dbraw/zinc/69/09/05/526690905.db2.gz TYBYAPIGYJYMEO-MYZZLAAOSA-N 0 0 447.293 3.968 50 0 IHAARN O=C(c1ccc(F)cc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000241588573 526691063 /nfs/dbraw/zinc/69/10/63/526691063.db2.gz PEDMDBCQTVWJKR-ZTCOLXNVSA-N 0 0 435.543 3.948 50 0 IHAARN O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NC[C@H]1CCCO1 ZINC000020180865 526705410 /nfs/dbraw/zinc/70/54/10/526705410.db2.gz ARGVSJCQZBNYOB-LPKQHDGYSA-N 0 0 430.863 3.541 50 0 IHAARN O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000023862941 526738820 /nfs/dbraw/zinc/73/88/20/526738820.db2.gz MDRYXYNPRMQFKK-UHFFFAOYSA-N 0 0 439.489 3.546 50 0 IHAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000022134477 526746178 /nfs/dbraw/zinc/74/61/78/526746178.db2.gz WIBFYHNFLOPRID-UHFFFAOYSA-N 0 0 426.520 3.788 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Br ZINC000012926260 526760424 /nfs/dbraw/zinc/76/04/24/526760424.db2.gz WSXQPLZRABBFRM-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN O=C(c1cccc(F)c1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000012863662 526762788 /nfs/dbraw/zinc/76/27/88/526762788.db2.gz IMIFPQPQQPBLAZ-UHFFFAOYSA-N 0 0 429.923 3.680 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3)c2)CC1)NC1CC1 ZINC000012904781 526764811 /nfs/dbraw/zinc/76/48/11/526764811.db2.gz YYPGCPCHFHJEGE-UHFFFAOYSA-N 0 0 444.000 3.669 50 0 IHAARN O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)N1CCCCC1 ZINC000035388124 526765453 /nfs/dbraw/zinc/76/54/53/526765453.db2.gz FZAPJKIOHQBJBH-UHFFFAOYSA-N 0 0 442.563 3.672 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000035436254 526765971 /nfs/dbraw/zinc/76/59/71/526765971.db2.gz RKBBMTBQCRIAQZ-UHFFFAOYSA-N 0 0 447.604 3.777 50 0 IHAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N1CCS[C@H]1c1ccccc1F ZINC000022816959 526767946 /nfs/dbraw/zinc/76/79/46/526767946.db2.gz VOJYXUPXYLGMTR-OKHPUOTASA-N 0 0 425.573 3.731 50 0 IHAARN O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000022801693 526771217 /nfs/dbraw/zinc/77/12/17/526771217.db2.gz PWTRLQXYYCLRDW-UHFFFAOYSA-N 0 0 441.881 3.994 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1cccc(Cl)c1 ZINC000033312811 526815113 /nfs/dbraw/zinc/81/51/13/526815113.db2.gz DQJORCXCOFSBGU-HSZRJFAPSA-N 0 0 425.960 3.568 50 0 IHAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000012563354 526819872 /nfs/dbraw/zinc/81/98/72/526819872.db2.gz LJDYNHIQVSCJSS-HXUWFJFHSA-N 0 0 447.457 3.924 50 0 IHAARN O=C(CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021708901 526826231 /nfs/dbraw/zinc/82/62/31/526826231.db2.gz ZBWLWYXVSVYASN-SFHVURJKSA-N 0 0 431.414 3.685 50 0 IHAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000012296859 526837801 /nfs/dbraw/zinc/83/78/01/526837801.db2.gz YGNLFJZTOHWXTK-UHFFFAOYSA-N 0 0 430.552 3.717 50 0 biogenic IHAARN Cc1nc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cs1 ZINC000014380963 526864720 /nfs/dbraw/zinc/86/47/20/526864720.db2.gz GILIMVQSPDEZSX-UHFFFAOYSA-N 0 0 444.564 3.657 50 0 IHAARN O=C(CNC(=O)c1ccco1)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000020789702 526868729 /nfs/dbraw/zinc/86/87/29/526868729.db2.gz QBJZFUXBTBELSM-LJQANCHMSA-N 0 0 446.381 3.951 50 0 IHAARN O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1SC(F)F ZINC000012256410 526909192 /nfs/dbraw/zinc/90/91/92/526909192.db2.gz LVRMXTJIESQYAT-HNNXBMFYSA-N 0 0 438.477 3.986 50 0 IHAARN O=C(COC(=O)c1cccc(O)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000020821761 526914957 /nfs/dbraw/zinc/91/49/57/526914957.db2.gz FHDWWZPBINQOKK-UHFFFAOYSA-N 0 0 425.462 3.615 50 0 IHAARN O=C(COc1c(CO)cc(F)cc1CO)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012897909 526941833 /nfs/dbraw/zinc/94/18/33/526941833.db2.gz HDVZICSSTREVPR-JOCHJYFZSA-N 0 0 429.875 3.748 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000001015695 526948753 /nfs/dbraw/zinc/94/87/53/526948753.db2.gz UMCYXTAJPOUFRD-UHFFFAOYSA-N 0 0 427.701 3.969 50 0 IHAARN O=C(COc1ccccc1C(=O)Nc1nncs1)Nc1ccc(Br)cc1 ZINC000021214245 526989255 /nfs/dbraw/zinc/98/92/55/526989255.db2.gz VQUMJOZCHITDFK-UHFFFAOYSA-N 0 0 433.287 3.570 50 0 IHAARN O=C1CSC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)N1Cc1ccco1 ZINC000034924324 527016636 /nfs/dbraw/zinc/01/66/36/527016636.db2.gz OQESNVUXGKWYGJ-UHFFFAOYSA-N 0 0 442.562 3.689 50 0 IHAARN Cc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n(C[C@@H]2CCCO2)c1C ZINC000022131518 527018605 /nfs/dbraw/zinc/01/86/05/527018605.db2.gz XJRRFZHXSLZNSZ-IBGZPJMESA-N 0 0 428.558 3.537 50 0 IHAARN NC(=O)c1cc(-c2csc(NC(=O)CCCOc3ccc(Br)cc3)n2)c[nH]1 ZINC000012889518 527023302 /nfs/dbraw/zinc/02/33/02/527023302.db2.gz FXRRMCRMGKVJNN-UHFFFAOYSA-N 0 0 449.330 3.797 50 0 IHAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012389846 527031913 /nfs/dbraw/zinc/03/19/13/527031913.db2.gz VXXYBIWYHPDFFN-FQEVSTJZSA-N 0 0 444.984 3.837 50 0 IHAARN O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCCC[C@H]2c2ccccn2)c1 ZINC000012163163 527042825 /nfs/dbraw/zinc/04/28/25/527042825.db2.gz WTLWYARYBCSIAV-NRFANRHFSA-N 0 0 435.553 3.763 50 0 IHAARN O=C(CSc1ncn(-c2ccccc2)n1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000022286636 527071876 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O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(COCC(F)(F)F)cc1 ZINC000012264734 527226821 /nfs/dbraw/zinc/22/68/21/527226821.db2.gz UODHJSIGGIEUQJ-UHFFFAOYSA-N 0 0 428.432 3.558 50 0 IHAARN O=S(=O)(N[C@@H](CCSc1nnnn1C1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000016375719 527234985 /nfs/dbraw/zinc/23/49/85/527234985.db2.gz XUQMOESRZRPWPY-SFHVURJKSA-N 0 0 449.989 3.863 50 0 IHAARN O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012761569 527241198 /nfs/dbraw/zinc/24/11/98/527241198.db2.gz RHGUBPPZAYQMGW-GOSISDBHSA-N 0 0 448.894 3.711 50 0 IHAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc2c(c1)OCO2 ZINC000012342544 527281959 /nfs/dbraw/zinc/28/19/59/527281959.db2.gz IKROTLDDTRJFTH-UHFFFAOYSA-N 0 0 442.518 3.871 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccc2c(c1)CN(Cc1ccc3c(c1)OCO3)C(=O)CO2 ZINC000035885820 527283025 /nfs/dbraw/zinc/28/30/25/527283025.db2.gz HDCLCZZEGAZMQZ-UHFFFAOYSA-N 0 0 430.460 3.518 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023990153 527283236 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O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000021636869 527392517 /nfs/dbraw/zinc/39/25/17/527392517.db2.gz ROBNMIGEKJABKP-FQEVSTJZSA-N 0 0 440.975 3.928 50 0 IHAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000012863614 527406568 /nfs/dbraw/zinc/40/65/68/527406568.db2.gz UBTJCELJWNDVSR-UHFFFAOYSA-N 0 0 425.491 3.596 50 0 IHAARN O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1)c1ccco1 ZINC000021016968 527410367 /nfs/dbraw/zinc/41/03/67/527410367.db2.gz VZJDEPVKEBFBIS-UHFFFAOYSA-N 0 0 449.488 3.837 50 0 IHAARN O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1F ZINC000035425125 527418408 /nfs/dbraw/zinc/41/84/08/527418408.db2.gz KYZGDFCDHUYYFF-UHFFFAOYSA-N 0 0 447.401 3.753 50 0 IHAARN O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1F ZINC000016949712 527458053 /nfs/dbraw/zinc/45/80/53/527458053.db2.gz ZANAKSJACMTGRS-UHFFFAOYSA-N 0 0 448.779 3.704 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2Cl)n(-c2ccccc2)c(=O)n1Cc1ccco1 ZINC000034693935 527458522 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Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1 ZINC000000628067 555513498 /nfs/dbraw/zinc/51/34/98/555513498.db2.gz CALAKCFBSGTYPW-QHCPKHFHSA-N 0 0 449.484 3.727 50 0 IHAARN C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000000634921 555516714 /nfs/dbraw/zinc/51/67/14/555516714.db2.gz MJFCAKYNLHDGAY-CQSZACIVSA-N 0 0 440.956 3.989 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000637844 555517274 /nfs/dbraw/zinc/51/72/74/555517274.db2.gz YOZPXADXKLIWKS-BZSNNMDCSA-N 0 0 435.833 3.894 50 0 IHAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000639919 555518115 /nfs/dbraw/zinc/51/81/15/555518115.db2.gz RHMUGLJEFKTNFG-QFIPXVFZSA-N 0 0 437.496 3.512 50 0 IHAARN CSc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2s1 ZINC000000645830 555520703 /nfs/dbraw/zinc/52/07/03/555520703.db2.gz NVYZHSRSMHSDDZ-UHFFFAOYSA-N 0 0 446.579 3.617 50 0 IHAARN COc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)cc2)cc1 ZINC000000652719 555523460 /nfs/dbraw/zinc/52/34/60/555523460.db2.gz XYIBKRXVGOHKHF-HXUWFJFHSA-N 0 0 426.366 3.695 50 0 IHAARN COc1ccccc1OCc1ccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)cc1 ZINC000000653335 555523827 /nfs/dbraw/zinc/52/38/27/555523827.db2.gz NFZCFYFMAWQPCR-HXUWFJFHSA-N 0 0 426.366 3.695 50 0 IHAARN O=C(COc1ccc2ccccc2c1Br)NC(=S)Nc1cccc(CO)c1 ZINC000000675718 555534395 /nfs/dbraw/zinc/53/43/95/555534395.db2.gz NXAUFCFMFZUBMQ-UHFFFAOYSA-N 0 0 445.338 3.987 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)NC(=S)N1CCc2ccccc21 ZINC000000676722 555534908 /nfs/dbraw/zinc/53/49/08/555534908.db2.gz MUGYDDVBSUJQOX-UHFFFAOYSA-N 0 0 425.735 3.945 50 0 aggregator IHAARN Clc1ccccc1-n1nnnc1SCSc1nnnn1-c1ccccc1Cl ZINC000000683824 555539029 /nfs/dbraw/zinc/53/90/29/555539029.db2.gz JSBMHEAYJXEBHM-UHFFFAOYSA-N 0 0 437.341 3.787 50 0 IHAARN CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000000684592 555539275 /nfs/dbraw/zinc/53/92/75/555539275.db2.gz ZTQJVOPQXZDIMV-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000000724745 555551080 /nfs/dbraw/zinc/55/10/80/555551080.db2.gz UKCRXVAOPKOFQT-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc21 ZINC000000800777 555559043 /nfs/dbraw/zinc/55/90/43/555559043.db2.gz YXDOWHAOXOSSOW-UHFFFAOYSA-N 0 0 434.448 3.536 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000815557 555561869 /nfs/dbraw/zinc/56/18/69/555561869.db2.gz LWZQBINVVDQYMM-AWEZNQCLSA-N 0 0 429.325 3.703 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000000816858 555562863 /nfs/dbraw/zinc/56/28/63/555562863.db2.gz LVUUIJQKJCYNEV-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 ZINC000000827193 555565511 /nfs/dbraw/zinc/56/55/11/555565511.db2.gz JRUHLKZPWANPNB-CQSZACIVSA-N 0 0 434.277 3.900 50 0 IHAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC ZINC000000840022 555567902 /nfs/dbraw/zinc/56/79/02/555567902.db2.gz GUUICRQTUFLNMG-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000000842602 555568168 /nfs/dbraw/zinc/56/81/68/555568168.db2.gz BCKDXLFNLQTRJW-FQEVSTJZSA-N 0 0 448.500 3.630 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(OC)c1OC ZINC000000844298 555568748 /nfs/dbraw/zinc/56/87/48/555568748.db2.gz JQRFHABILXMAGX-HXUWFJFHSA-N 0 0 432.517 3.996 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2Br)cc1 ZINC000000845632 555569313 /nfs/dbraw/zinc/56/93/13/555569313.db2.gz HYCVFJDWENMHKH-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC ZINC000000862460 555572906 /nfs/dbraw/zinc/57/29/06/555572906.db2.gz BJARLMZJVSGRAK-IBGZPJMESA-N 0 0 447.944 3.797 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000867174 555574332 /nfs/dbraw/zinc/57/43/32/555574332.db2.gz AHMXTIPWSTVECW-LJQANCHMSA-N 0 0 447.944 3.797 50 0 IHAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C1=S ZINC000000868477 555574737 /nfs/dbraw/zinc/57/47/37/555574737.db2.gz PFPOWVBVPXGQOU-GOSISDBHSA-N 0 0 431.945 3.695 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC ZINC000000874075 555576170 /nfs/dbraw/zinc/57/61/70/555576170.db2.gz HZAFMOOIENNTJO-UHFFFAOYSA-N 0 0 440.525 3.881 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC2CC2)cc1 ZINC000000881295 555577457 /nfs/dbraw/zinc/57/74/57/555577457.db2.gz RHJKQDSCIAOVGP-UHFFFAOYSA-N 0 0 436.533 3.983 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)cc1 ZINC000000882955 555578071 /nfs/dbraw/zinc/57/80/71/555578071.db2.gz VSNMYVCHBSVANB-UHFFFAOYSA-N 0 0 440.525 3.881 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000884643 555578750 /nfs/dbraw/zinc/57/87/50/555578750.db2.gz LJZWKJKPIRDSJM-SJLPKXTDSA-N 0 0 432.450 3.824 50 0 IHAARN O=C(N(CN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1)C(F)(F)F ZINC000000910500 555582558 /nfs/dbraw/zinc/58/25/58/555582558.db2.gz ZIYBTYFRGBHVPF-UHFFFAOYSA-N 0 0 427.176 3.598 50 0 IHAARN CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1 ZINC000000947444 555588186 /nfs/dbraw/zinc/58/81/86/555588186.db2.gz HUJKODRLNVCGRG-BLMSOEDDSA-N 0 0 429.494 3.788 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 ZINC000000990635 555596235 /nfs/dbraw/zinc/59/62/35/555596235.db2.gz XOJBNSQOKXBYFL-UHFFFAOYSA-N 0 0 433.391 3.675 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000000990855 555596281 /nfs/dbraw/zinc/59/62/81/555596281.db2.gz SWRWWTDDKKIXBK-SGNKAXLRSA-N 0 0 429.472 3.655 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000995605 555598363 /nfs/dbraw/zinc/59/83/63/555598363.db2.gz RSKAQYIYRSUTDH-UHFFFAOYSA-N 0 0 432.498 3.696 50 0 IHAARN CCOc1ccccc1NC(=S)NC(=O)c1ccccc1I ZINC000001003672 555600510 /nfs/dbraw/zinc/60/05/10/555600510.db2.gz KLZJLRCKSANQLG-UHFFFAOYSA-N 0 0 426.279 3.817 50 0 IHAARN Fc1c(CSC(=S)N2CCOCC2)cccc1CSC(=S)N1CCOCC1 ZINC000001048994 555612127 /nfs/dbraw/zinc/61/21/27/555612127.db2.gz CXTHOIJXTVMKQN-UHFFFAOYSA-N 0 0 446.660 3.526 50 0 IHAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000001050688 555612972 /nfs/dbraw/zinc/61/29/72/555612972.db2.gz YKWKKEMSLJEJCK-GOSISDBHSA-N 0 0 430.570 3.862 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001056507 555614539 /nfs/dbraw/zinc/61/45/39/555614539.db2.gz BZMZRUBTOULTAK-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1Cl ZINC000001061199 555616373 /nfs/dbraw/zinc/61/63/73/555616373.db2.gz KLXXKDKDVDOHQW-HXUWFJFHSA-N 0 0 440.887 3.983 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000001071713 555621570 /nfs/dbraw/zinc/62/15/70/555621570.db2.gz RVUDAGNLHGZVKW-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000001091372 555627255 /nfs/dbraw/zinc/62/72/55/555627255.db2.gz OBXZXHFSTBKDDH-ZOVQAKDCSA-N 0 0 437.451 3.555 50 0 IHAARN CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)oc(=O)c2c1 ZINC000001109241 555630753 /nfs/dbraw/zinc/63/07/53/555630753.db2.gz NUPCFKROPURSMP-UHFFFAOYSA-N 0 0 440.411 3.577 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)cc1OC ZINC000001111376 555631707 /nfs/dbraw/zinc/63/17/07/555631707.db2.gz SDJHPWCGKGOYPA-IBGZPJMESA-N 0 0 448.475 3.526 50 0 IHAARN Nc1nnc(SCC(=O)Nc2ccc(Br)cc2Cl)n1-c1ccccc1 ZINC000001112880 555632667 /nfs/dbraw/zinc/63/26/67/555632667.db2.gz WCSDUIQVMONAER-UHFFFAOYSA-N 0 0 438.738 3.996 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000001120063 555637306 /nfs/dbraw/zinc/63/73/06/555637306.db2.gz QDAHAKSOHOBTHJ-UHFFFAOYSA-N 0 0 428.492 3.697 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2Cl)cc1 ZINC000001129255 555643418 /nfs/dbraw/zinc/64/34/18/555643418.db2.gz NZSLTBJDWXQBTQ-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1ccco1 ZINC000001137989 555648028 /nfs/dbraw/zinc/64/80/28/555648028.db2.gz SXLALDJSEFIFQA-UHFFFAOYSA-N 0 0 430.869 3.746 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000001140475 555649749 /nfs/dbraw/zinc/64/97/49/555649749.db2.gz MWNFYPKMXQQXKS-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN COc1cccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001146364 555653746 /nfs/dbraw/zinc/65/37/46/555653746.db2.gz XCWCWTCOFVGNOI-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000001160699 555661410 /nfs/dbraw/zinc/66/14/10/555661410.db2.gz KTGOBJUUWDMOSX-UHFFFAOYSA-N 0 0 440.540 3.984 50 0 IHAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc(Cl)cc(OC)c1OC ZINC000001171606 555667326 /nfs/dbraw/zinc/66/73/26/555667326.db2.gz NLZMXJLHWJTMSU-GOSISDBHSA-N 0 0 432.929 3.850 50 0 IHAARN Clc1ccc(-n2nnnc2SCSc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000001183083 555672800 /nfs/dbraw/zinc/67/28/00/555672800.db2.gz UTWQMCKBWWCQGQ-UHFFFAOYSA-N 0 0 437.341 3.787 50 0 IHAARN Cc1cccnc1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000001183128 555672820 /nfs/dbraw/zinc/67/28/20/555672820.db2.gz FZABEMNPZMNFNR-UHFFFAOYSA-N 0 0 431.686 3.775 50 0 IHAARN Cc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1ccc(Br)cc1 ZINC000046153648 555677318 /nfs/dbraw/zinc/67/73/18/555677318.db2.gz TXAYPVMUEOMMBZ-UHFFFAOYSA-N 0 0 429.299 3.716 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(I)c2)NC(=S)N1 ZINC000001202831 555679412 /nfs/dbraw/zinc/67/94/12/555679412.db2.gz QGGWJYWJFUVXSN-INIZCTEOSA-N 0 0 449.317 3.723 50 0 IHAARN O=C(Cc1ccccc1)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000001232150 555686884 /nfs/dbraw/zinc/68/68/84/555686884.db2.gz DDKNMFRRSRWRSY-OAHLLOKOSA-N 0 0 432.760 3.734 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1OC ZINC000001297245 555689378 /nfs/dbraw/zinc/68/93/78/555689378.db2.gz CXPLOZFSAUNNHM-IBGZPJMESA-N 0 0 427.526 3.534 50 0 IHAARN CCN1C(=O)[C@](O)(CC(=O)c2cc(Br)c(Br)o2)c2ccccc21 ZINC000001320427 555690018 /nfs/dbraw/zinc/69/00/18/555690018.db2.gz FLZCQFRDCUJWDJ-INIZCTEOSA-N 0 0 443.091 3.632 50 0 IHAARN CCc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000046153731 555693251 /nfs/dbraw/zinc/69/32/51/555693251.db2.gz GVCUQUQKRKFMQW-UHFFFAOYSA-N 0 0 428.901 3.869 50 0 IHAARN CCCc1sc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1CC ZINC000009824678 555693409 /nfs/dbraw/zinc/69/34/09/555693409.db2.gz BJAMNKWSJAFUAZ-UHFFFAOYSA-N 0 0 442.459 3.592 50 0 IHAARN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Br)cc2Br)cc1 ZINC000002059033 555731479 /nfs/dbraw/zinc/73/14/79/555731479.db2.gz RADATKMKNUSEJW-UHFFFAOYSA-N 0 0 449.120 3.938 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1ccccc1C(=O)Nc1ccsc1C(=O)OC ZINC000002085691 555739718 /nfs/dbraw/zinc/73/97/18/555739718.db2.gz BISMAXOIPQMCTR-UHFFFAOYSA-N 0 0 444.490 3.887 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 ZINC000002201106 555757445 /nfs/dbraw/zinc/75/74/45/555757445.db2.gz SMCAUJMFINIVFG-UHFFFAOYSA-N 0 0 432.509 3.772 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccn4)n3N)ccc21 ZINC000002388088 555774938 /nfs/dbraw/zinc/77/49/38/555774938.db2.gz LOJFGHKZQPYLME-UHFFFAOYSA-N 0 0 443.536 3.913 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1ccc(F)cc1F ZINC000034667547 555791786 /nfs/dbraw/zinc/79/17/86/555791786.db2.gz JABJWKYAEZLWRD-UHFFFAOYSA-N 0 0 440.425 3.714 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)c1 ZINC000002693291 555799732 /nfs/dbraw/zinc/79/97/32/555799732.db2.gz XLGBOWFDSQUGAR-UHFFFAOYSA-N 0 0 447.513 3.502 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)nc2O)cc1 ZINC000002699248 555800174 /nfs/dbraw/zinc/80/01/74/555800174.db2.gz OZEKPBWKZVOEPJ-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN COc1cccc(-n2c3ncn(Cc4ccccc4F)c3c(=O)n(C3CCCC3)c2=O)c1 ZINC000034692778 555805302 /nfs/dbraw/zinc/80/53/02/555805302.db2.gz FCWDEHPCBCNEMJ-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccc(F)cc2)c(=O)n1CCc1ccccc1 ZINC000034693087 555805971 /nfs/dbraw/zinc/80/59/71/555805971.db2.gz SDLROYVGPQJTNJ-UHFFFAOYSA-N 0 0 440.478 3.779 50 0 IHAARN COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)nc2)c(OC)c1 ZINC000002751574 555810406 /nfs/dbraw/zinc/81/04/06/555810406.db2.gz UPHGBQNCTZUQET-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN Cc1c(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000002755803 555811272 /nfs/dbraw/zinc/81/12/72/555811272.db2.gz MKDBPYVBBMZOHP-MSOLQXFVSA-N 0 0 432.450 3.824 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Cn4cc(Cl)cn4)c3)sc2c1 ZINC000002763325 555813463 /nfs/dbraw/zinc/81/34/63/555813463.db2.gz ICDXZSWVVOXLRX-UHFFFAOYSA-N 0 0 446.941 3.850 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc3nc(C)cc(C(F)F)n3n1)C[C@H](C)CC2 ZINC000002768551 555814563 /nfs/dbraw/zinc/81/45/63/555814563.db2.gz GUYPNNVWEYSWNS-SECBINFHSA-N 0 0 449.483 3.986 50 0 IHAARN CC[C@H](C(=O)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1)c1ccccc1 ZINC000034707208 555821895 /nfs/dbraw/zinc/82/18/95/555821895.db2.gz TVRSHYZQXDDSSP-FQEVSTJZSA-N 0 0 440.551 3.997 50 0 IHAARN COc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002852740 555840163 /nfs/dbraw/zinc/84/01/63/555840163.db2.gz FGKMMSHCLQNPBQ-QGZVFWFLSA-N 0 0 442.512 3.907 50 0 IHAARN CCc1cc(C(=O)OC)c(NC(=S)NNC(=S)Nc2ccc(Cl)cc2)s1 ZINC000002853509 555840378 /nfs/dbraw/zinc/84/03/78/555840378.db2.gz SKUWFEJTDDCPLA-UHFFFAOYSA-N 0 0 428.992 3.939 50 0 IHAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000002855568 555841325 /nfs/dbraw/zinc/84/13/25/555841325.db2.gz SYGZVIMVTZHTGH-UHFFFAOYSA-N 0 0 430.570 3.859 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)C1CCC1 ZINC000034700473 555849657 /nfs/dbraw/zinc/84/96/57/555849657.db2.gz RSHUPGKEFWSVHC-SFHVURJKSA-N 0 0 440.551 3.706 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000002872140 555850444 /nfs/dbraw/zinc/85/04/44/555850444.db2.gz IWMKRQFCJZOOSU-HXUWFJFHSA-N 0 0 425.451 3.857 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002874644 555851824 /nfs/dbraw/zinc/85/18/24/555851824.db2.gz BZGGQFAVXGEYBC-UHFFFAOYSA-N 0 0 426.897 3.590 50 0 IHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3N2)c1 ZINC000002875778 555852259 /nfs/dbraw/zinc/85/22/59/555852259.db2.gz ZOTOPTLUAUYXAV-AEFFLSMTSA-N 0 0 431.418 3.877 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCc1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000002879301 555853875 /nfs/dbraw/zinc/85/38/75/555853875.db2.gz CYZUVQBUVAOQHE-UHFFFAOYSA-N 0 0 431.521 3.837 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 ZINC000002880758 555854963 /nfs/dbraw/zinc/85/49/63/555854963.db2.gz WKFYFZLJYYGVJF-UHFFFAOYSA-N 0 0 446.475 3.949 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000002882887 555856616 /nfs/dbraw/zinc/85/66/16/555856616.db2.gz ZFROWVPQFCCQKE-UHFFFAOYSA-N 0 0 425.865 3.924 50 0 IHAARN C[C@H](C(=O)Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)N1C(=O)c2ccccc2C1=O ZINC000002888844 555859399 /nfs/dbraw/zinc/85/93/99/555859399.db2.gz HMBGULADXQNGKU-CYBMUJFWSA-N 0 0 429.384 3.643 50 0 IHAARN CC(C)CNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002975686 555870047 /nfs/dbraw/zinc/87/00/47/555870047.db2.gz GUGLQFUMNGJVQK-UHFFFAOYSA-N 0 0 429.369 3.957 50 0 IHAARN COc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000002982090 555872513 /nfs/dbraw/zinc/87/25/13/555872513.db2.gz FGJQUZRYGJFKJJ-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN CC(C)(C)SCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000002990977 555874853 /nfs/dbraw/zinc/87/48/53/555874853.db2.gz OVBTYJLKHXCXSW-UHFFFAOYSA-N 0 0 446.944 3.773 50 0 IHAARN Cc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccccc2)CC3)c1 ZINC000034757883 555902573 /nfs/dbraw/zinc/90/25/73/555902573.db2.gz WTCMCSMRPIVOSO-UHFFFAOYSA-N 0 0 443.551 3.528 50 0 IHAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2n(n1)CCN(CC1CC1)C2=O ZINC000034811412 555909101 /nfs/dbraw/zinc/90/91/01/555909101.db2.gz BKKWEXYQQYJSQE-UHFFFAOYSA-N 0 0 428.536 3.701 50 0 IHAARN O=C(c1cccc(Br)c1)N1CCC2(CC1)NC(=O)c1c(Cl)cccc1N2 ZINC000034811990 555909435 /nfs/dbraw/zinc/90/94/35/555909435.db2.gz GWQVMADMDRBEIS-UHFFFAOYSA-N 0 0 434.721 3.890 50 0 IHAARN CCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034829789 555911690 /nfs/dbraw/zinc/91/16/90/555911690.db2.gz JSEQZLVYTPZOLX-CLOONOSVSA-N 0 0 439.625 3.863 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cn4cc(-c5ccccc5)ccc4n3)CC2)cc1 ZINC000034831000 555911962 /nfs/dbraw/zinc/91/19/62/555911962.db2.gz ISRBWVWSDUZNBO-UHFFFAOYSA-N 0 0 426.520 3.968 50 0 IHAARN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCc3ccccn3)ccc12 ZINC000034836010 555914289 /nfs/dbraw/zinc/91/42/89/555914289.db2.gz HJGNTAQCRHJJLY-UHFFFAOYSA-N 0 0 431.467 3.588 50 0 IHAARN Cc1cccc(-c2nc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)c1 ZINC000034904856 555919285 /nfs/dbraw/zinc/91/92/85/555919285.db2.gz IVJFHPPTOAWBLM-UHFFFAOYSA-N 0 0 441.329 3.766 50 0 IHAARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)C(C)(C)C)cs1 ZINC000034905738 555920075 /nfs/dbraw/zinc/92/00/75/555920075.db2.gz RFLXOURIJFKHEO-HOTGVXAUSA-N 0 0 445.585 3.934 50 0 IHAARN C[C@@H]1S[C@@H](c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000034854673 555923645 /nfs/dbraw/zinc/92/36/45/555923645.db2.gz PRUHCPYILUXBCJ-SBUREZEXSA-N 0 0 429.630 3.501 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000010551313 555961384 /nfs/dbraw/zinc/96/13/84/555961384.db2.gz IMLAQKAFPMJZQN-UHFFFAOYSA-N 0 0 427.551 3.801 50 0 IHAARN CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004112342 555963396 /nfs/dbraw/zinc/96/33/96/555963396.db2.gz UTHOPROUGTUCHE-HULNYRCFSA-N 0 0 432.557 3.927 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1C ZINC000004195492 555975314 /nfs/dbraw/zinc/97/53/14/555975314.db2.gz ATHCHAZVWVEPPU-BHIFYINESA-N 0 0 437.515 3.723 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)c(C)c2)Cc2ccco2)cc1 ZINC000010552498 555976060 /nfs/dbraw/zinc/97/60/60/555976060.db2.gz GSLFXYIJHXKGEK-UHFFFAOYSA-N 0 0 430.501 3.543 50 0 IHAARN O=C(COC(=O)c1ccc(COc2ccccc2)o1)Nc1ccccc1C(=O)NC1CC1 ZINC000010564422 556071127 /nfs/dbraw/zinc/07/11/27/556071127.db2.gz WDFHNPHCFANTCT-UHFFFAOYSA-N 0 0 434.448 3.546 50 0 IHAARN COC(=O)CCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC(=O)OC)c(C)c2)cc1C ZINC000006143129 556077911 /nfs/dbraw/zinc/07/79/11/556077911.db2.gz YPLGVOQEPGHVLN-UHFFFAOYSA-N 0 0 440.496 3.754 50 0 IHAARN COc1ccc(N2C(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000006157371 556078885 /nfs/dbraw/zinc/07/88/85/556078885.db2.gz XLUBJAPNKGPJRX-SJORKVTESA-N 0 0 443.377 3.779 50 0 IHAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000002337624 556081307 /nfs/dbraw/zinc/08/13/07/556081307.db2.gz DNTFZYHBFPICSG-AREMUKBSSA-N 0 0 445.471 3.821 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000006461714 556090115 /nfs/dbraw/zinc/09/01/15/556090115.db2.gz WYNWXUJOSDIHGE-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC ZINC000010585848 556115384 /nfs/dbraw/zinc/11/53/84/556115384.db2.gz HYQLVLCBUGQZKH-ZDUSSCGKSA-N 0 0 426.498 3.549 50 0 IHAARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccc(F)cc2)CCS3)cc1 ZINC000002719771 556126067 /nfs/dbraw/zinc/12/60/67/556126067.db2.gz RINMFCIJENHFNU-UHFFFAOYSA-N 0 0 441.553 3.737 50 0 IHAARN CCOC(=O)c1sc2ncn3nc(-c4c(Cl)c(C(F)(F)F)nn4C)nc3c2c1C ZINC000002790851 556140431 /nfs/dbraw/zinc/14/04/31/556140431.db2.gz NEBVQURWHVVHQE-UHFFFAOYSA-N 0 0 444.826 3.897 50 0 IHAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)cnn1C)CC[C@@H](C(C)(C)C)C3 ZINC000002777993 556140751 /nfs/dbraw/zinc/14/07/51/556140751.db2.gz GHFOSAMJCWPPTM-LLVKDONJSA-N 0 0 433.965 3.688 50 0 IHAARN O=C(NCCCNC(=O)c1cccc(Br)c1)c1cccc(Br)c1 ZINC000002779361 556141334 /nfs/dbraw/zinc/14/13/34/556141334.db2.gz MLCWMRPIXZHWCG-UHFFFAOYSA-N 0 0 440.135 3.762 50 0 IHAARN Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1Cl ZINC000002778882 556141364 /nfs/dbraw/zinc/14/13/64/556141364.db2.gz NOJMBVPVYJXRLM-SNVBAGLBSA-N 0 0 433.965 3.518 50 0 IHAARN COc1cccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC000002793040 556144627 /nfs/dbraw/zinc/14/46/27/556144627.db2.gz WZPKCIJKEPJMEF-UHFFFAOYSA-N 0 0 445.342 3.829 50 0 IHAARN Cn1nc(CC(=O)Nc2cccc(OC(=O)c3ccc(Cl)cc3)c2)c2ccccc2c1=O ZINC000002826546 556146080 /nfs/dbraw/zinc/14/60/80/556146080.db2.gz PFWJHAQNWXDMFS-UHFFFAOYSA-N 0 0 447.878 3.987 50 0 IHAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000003007590 556156721 /nfs/dbraw/zinc/15/67/21/556156721.db2.gz IUNRPXUMSMGTDB-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN O=C(NCc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015347 556157911 /nfs/dbraw/zinc/15/79/11/556157911.db2.gz SQQRHJSGZGIWNI-UHFFFAOYSA-N 0 0 437.927 3.806 50 0 IHAARN CCc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008384481 556160256 /nfs/dbraw/zinc/16/02/56/556160256.db2.gz KRTBMILFBFHBNK-IBGZPJMESA-N 0 0 436.371 3.841 50 0 IHAARN COc1ccc(CCNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1OC ZINC000008433189 556172761 /nfs/dbraw/zinc/17/27/61/556172761.db2.gz QLUIVPRSHTUIDO-UHFFFAOYSA-N 0 0 446.503 3.592 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008440828 556176539 /nfs/dbraw/zinc/17/65/39/556176539.db2.gz IRCOATLRBMKZPF-QIPHDZALSA-N 0 0 444.965 3.513 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000008441039 556176746 /nfs/dbraw/zinc/17/67/46/556176746.db2.gz GGYOGWRQNSLJHA-JKSUJKDBSA-N 0 0 441.734 3.715 50 0 IHAARN COc1ccc(-c2nnn(C3CCN(C(=S)Nc4ccc(F)cc4)CC3)n2)cc1OC ZINC000008694571 556200797 /nfs/dbraw/zinc/20/07/97/556200797.db2.gz YROUICKYBLVVTI-UHFFFAOYSA-N 0 0 442.520 3.530 50 0 IHAARN COc1cc2ccccc2cc1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000008747622 556210062 /nfs/dbraw/zinc/21/00/62/556210062.db2.gz GTKAYEHZYDTRQI-JAIQZWGSSA-N 0 0 433.489 3.710 50 0 IHAARN NC(=O)CCCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000010606268 556211997 /nfs/dbraw/zinc/21/19/97/556211997.db2.gz ZVMAGYDONSWAHR-UHFFFAOYSA-N 0 0 448.548 3.899 50 0 IHAARN COc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008766939 556212687 /nfs/dbraw/zinc/21/26/87/556212687.db2.gz MIOOETRIXCUKPF-SJORKVTESA-N 0 0 427.309 3.614 50 0 IHAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O ZINC000008875149 556230298 /nfs/dbraw/zinc/23/02/98/556230298.db2.gz MYHUMBNGGNEEAQ-ITTMYVLYSA-N 0 0 444.303 3.541 50 0 IHAARN Cc1ccc(OCC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000008921729 556233404 /nfs/dbraw/zinc/23/34/04/556233404.db2.gz ABJURASVFPAEJT-UHFFFAOYSA-N 0 0 428.532 3.877 50 0 IHAARN COc1cc(-c2nnc3sc(-c4cncc(Br)c4)nn32)cc(OC)c1OC ZINC000008991680 556239216 /nfs/dbraw/zinc/23/92/16/556239216.db2.gz IAEDAQRBQNPZPB-UHFFFAOYSA-N 0 0 448.302 3.703 50 0 IHAARN CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000009094712 556246090 /nfs/dbraw/zinc/24/60/90/556246090.db2.gz FTQRPFRNNOHZCE-UHFFFAOYSA-N 0 0 429.444 3.926 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)sc2c1 ZINC000009095552 556246539 /nfs/dbraw/zinc/24/65/39/556246539.db2.gz LHEAMGSSEWBYKF-CYBMUJFWSA-N 0 0 441.509 3.704 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000009190058 556252694 /nfs/dbraw/zinc/25/26/94/556252694.db2.gz JBKQQOICJNSXAP-OAHLLOKOSA-N 0 0 437.352 3.519 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000009190858 556252990 /nfs/dbraw/zinc/25/29/90/556252990.db2.gz FJLCELTWXKDCQO-UHFFFAOYSA-N 0 0 447.894 3.575 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)CC2=O)cc1 ZINC000009191092 556253476 /nfs/dbraw/zinc/25/34/76/556253476.db2.gz HEFAOIATTHDJKN-NRFANRHFSA-N 0 0 439.600 3.816 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)c(OC)c1 ZINC000009196987 556254655 /nfs/dbraw/zinc/25/46/55/556254655.db2.gz SIIIEYVKRZYEFK-FQEVSTJZSA-N 0 0 430.504 3.963 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c(OC)c1 ZINC000009197018 556255120 /nfs/dbraw/zinc/25/51/20/556255120.db2.gz UNAVYSPAMXGYRC-OAHLLOKOSA-N 0 0 441.915 3.550 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCc1ccc3c(c1)OCO3)nnc2C ZINC000009224481 556258026 /nfs/dbraw/zinc/25/80/26/556258026.db2.gz IJGIYQWSRXXLMM-UHFFFAOYSA-N 0 0 447.520 3.570 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009239269 556265766 /nfs/dbraw/zinc/26/57/66/556265766.db2.gz RUXIBTQKNSMWBW-ZWKOTPCHSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009239284 556265795 /nfs/dbraw/zinc/26/57/95/556265795.db2.gz UDRVOIRHPWJGGO-RBUKOAKNSA-N 0 0 427.505 3.776 50 0 IHAARN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 ZINC000009295959 556275199 /nfs/dbraw/zinc/27/51/99/556275199.db2.gz LJKCLIIEMXJRHU-RGEXLXHISA-N 0 0 427.478 3.744 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCN(Cc4ccccc4)CC3)cs2)cc1OC ZINC000013689939 556279286 /nfs/dbraw/zinc/27/92/86/556279286.db2.gz QIWKJPMJJNNALH-UHFFFAOYSA-N 0 0 437.565 3.714 50 0 IHAARN COC(=O)[C@@H](CC(=O)c1cccc(OC)c1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013691008 556280378 /nfs/dbraw/zinc/28/03/78/556280378.db2.gz DOVMPEAQJDNNEP-INIZCTEOSA-N 0 0 430.840 3.993 50 0 IHAARN COc1ccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)cc1OC ZINC000013692135 556281670 /nfs/dbraw/zinc/28/16/70/556281670.db2.gz NIHPHDMNIHPYHA-UHFFFAOYSA-N 0 0 443.613 3.934 50 0 IHAARN Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000013692179 556281767 /nfs/dbraw/zinc/28/17/67/556281767.db2.gz VZTSLHKCBVHVBY-FQEVSTJZSA-N 0 0 440.931 3.707 50 0 IHAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC(C)C)o1 ZINC000013692388 556281968 /nfs/dbraw/zinc/28/19/68/556281968.db2.gz ZJQKTNRKPRSCQW-UHFFFAOYSA-N 0 0 430.482 3.775 50 0 IHAARN Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1 ZINC000009327780 556282321 /nfs/dbraw/zinc/28/23/21/556282321.db2.gz PDZUFTUMUKOACS-UHFFFAOYSA-N 0 0 429.933 3.771 50 0 IHAARN COc1ccc(-c2cc3ccc(OCC(=O)Nc4nccs4)cc3oc2=O)cc1OC ZINC000013693356 556282926 /nfs/dbraw/zinc/28/29/26/556282926.db2.gz VZQPXOWPMGPIPH-UHFFFAOYSA-N 0 0 438.461 3.951 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000009358770 556285323 /nfs/dbraw/zinc/28/53/23/556285323.db2.gz LWGZQLJNSMQDIE-FQEVSTJZSA-N 0 0 443.544 3.961 50 0 IHAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccn4)c3N2)cc1 ZINC000009410998 556288501 /nfs/dbraw/zinc/28/85/01/556288501.db2.gz QVSNFGNZVHFXDI-QZTJIDSGSA-N 0 0 431.418 3.877 50 0 IHAARN Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000013720527 556289644 /nfs/dbraw/zinc/28/96/44/556289644.db2.gz UAOIYONPJAWXED-HXUWFJFHSA-N 0 0 440.931 3.707 50 0 IHAARN O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000009427287 556290903 /nfs/dbraw/zinc/29/09/03/556290903.db2.gz NKYUOQBQYKWOCJ-HSALFYBXSA-N 0 0 446.979 3.823 50 0 IHAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000013726547 556293256 /nfs/dbraw/zinc/29/32/56/556293256.db2.gz NCTQOEYMVSJQCF-UHFFFAOYSA-N 0 0 430.457 3.685 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000009499812 556295506 /nfs/dbraw/zinc/29/55/06/556295506.db2.gz QPYAGDOIKOYFAY-UHFFFAOYSA-N 0 0 440.525 3.703 50 0 IHAARN O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000009525840 556296346 /nfs/dbraw/zinc/29/63/46/556296346.db2.gz OSXAYQCZOOCWEA-UHFFFAOYSA-N 0 0 449.834 3.705 50 0 IHAARN O=C(COc1cccc(Cl)c1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000032739519 556300039 /nfs/dbraw/zinc/30/00/39/556300039.db2.gz PXFIQFDBJPEXFL-LBPRGKRZSA-N 0 0 434.366 3.650 50 0 IHAARN O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 ZINC000009720594 556307502 /nfs/dbraw/zinc/30/75/02/556307502.db2.gz DOADJNBGZGUIJW-UHFFFAOYSA-N 0 0 431.316 3.602 50 0 IHAARN COc1ccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ncccc3c2=O)cc1 ZINC000009830356 556310760 /nfs/dbraw/zinc/31/07/60/556310760.db2.gz HMPDNNIOAUDSQD-UHFFFAOYSA-N 0 0 446.532 3.888 50 0 IHAARN C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cc2ccccc2o1 ZINC000032745188 556314752 /nfs/dbraw/zinc/31/47/52/556314752.db2.gz IXZSUQISAXIYHG-AWEZNQCLSA-N 0 0 445.504 3.825 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000032745136 556314775 /nfs/dbraw/zinc/31/47/75/556314775.db2.gz HTFNJUJVNZKBJF-OAHLLOKOSA-N 0 0 430.482 3.522 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C)o2)c(OC)cc1Cl ZINC000009908208 556316327 /nfs/dbraw/zinc/31/63/27/556316327.db2.gz KSESHACFWQOPBY-GOSISDBHSA-N 0 0 429.864 3.778 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013842903 556317936 /nfs/dbraw/zinc/31/79/36/556317936.db2.gz HZCONNSZCWIHGS-SFHVURJKSA-N 0 0 436.295 3.510 50 0 IHAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(I)c1 ZINC000013844327 556318488 /nfs/dbraw/zinc/31/84/88/556318488.db2.gz VSPLFNCQOWCLSF-UHFFFAOYSA-N 0 0 440.350 3.864 50 0 IHAARN COc1ccc([C@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009968845 556318924 /nfs/dbraw/zinc/31/89/24/556318924.db2.gz MAEONWVCRHXAAP-QHCPKHFHSA-N 0 0 436.533 3.849 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 ZINC000032760605 556320879 /nfs/dbraw/zinc/32/08/79/556320879.db2.gz QESNYFNHJLZKSI-UHFFFAOYSA-N 0 0 428.485 3.702 50 0 IHAARN COc1c(Br)c2ccccc2cc1C(=O)NCCNC(=O)c1cccs1 ZINC000013858120 556321758 /nfs/dbraw/zinc/32/17/58/556321758.db2.gz HKYOKGLTCBOYRU-UHFFFAOYSA-N 0 0 433.327 3.832 50 0 IHAARN CCCCn1c2nc(CN[C@@H](C)c3ccc(F)cc3)n(CCC(C)C)c2c(=O)[nH]c1=O ZINC000032753391 556322526 /nfs/dbraw/zinc/32/25/26/556322526.db2.gz KDHTVAKSRZXMTM-INIZCTEOSA-N 0 0 429.540 3.722 50 0 IHAARN CC1CCN([C@@H](CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2cccs2)CC1 ZINC000032758997 556325058 /nfs/dbraw/zinc/32/50/58/556325058.db2.gz HYDLPTMCHFDRBS-SFHVURJKSA-N 0 0 432.567 3.606 50 0 IHAARN CC1CCN(C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013880749 556325988 /nfs/dbraw/zinc/32/59/88/556325988.db2.gz BJKGVZWSLAUSPW-UHFFFAOYSA-N 0 0 438.952 3.929 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 ZINC000010232595 556327823 /nfs/dbraw/zinc/32/78/23/556327823.db2.gz TZIILEQKVUXCHS-QGZVFWFLSA-N 0 0 436.273 3.601 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NCCC1=CCCCC1 ZINC000010273444 556328741 /nfs/dbraw/zinc/32/87/41/556328741.db2.gz SMBWBSACVPLMPD-UHFFFAOYSA-N 0 0 439.947 3.863 50 0 IHAARN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CCCN(c2cnccn2)C1 ZINC000032777396 556329872 /nfs/dbraw/zinc/32/98/72/556329872.db2.gz JSUUJPCXENHRGW-LLVKDONJSA-N 0 0 440.139 3.857 50 0 IHAARN COc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(OC)c1 ZINC000032764405 556331558 /nfs/dbraw/zinc/33/15/58/556331558.db2.gz HHESPPYIPBFCLO-AWEZNQCLSA-N 0 0 441.509 3.911 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032768313 556333294 /nfs/dbraw/zinc/33/32/94/556333294.db2.gz SPTLRVOXLMTWTL-NRFANRHFSA-N 0 0 437.521 3.654 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)C2 ZINC000010493892 556336275 /nfs/dbraw/zinc/33/62/75/556336275.db2.gz CSVHRYILDFIYJK-JOCHJYFZSA-N 0 0 448.494 3.726 50 0 IHAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C ZINC000032776101 556336991 /nfs/dbraw/zinc/33/69/91/556336991.db2.gz XOUBLVYCGKYJGQ-WBVHZDCISA-N 0 0 428.562 3.755 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000013944364 556341742 /nfs/dbraw/zinc/34/17/42/556341742.db2.gz BANKKVOJSNWYCM-LBPRGKRZSA-N 0 0 428.901 3.973 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 ZINC000013944831 556342336 /nfs/dbraw/zinc/34/23/36/556342336.db2.gz RRXFXGZOLDMEFL-QGZVFWFLSA-N 0 0 437.471 3.513 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013949347 556344230 /nfs/dbraw/zinc/34/42/30/556344230.db2.gz OXRROBCRJPJVIQ-GASCZTMLSA-N 0 0 426.535 3.578 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000013949217 556344248 /nfs/dbraw/zinc/34/42/48/556344248.db2.gz IAXIVAWACQTDAH-IAGOWNOFSA-N 0 0 436.599 3.771 50 0 IHAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2c(C)nc3ncccn32)CC1 ZINC000011663686 556344632 /nfs/dbraw/zinc/34/46/32/556344632.db2.gz WQKLJHRTWMYSNZ-UHFFFAOYSA-N 0 0 434.540 3.846 50 0 IHAARN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000011664343 556345152 /nfs/dbraw/zinc/34/51/52/556345152.db2.gz HIIMIXMWVJMVKJ-HXUWFJFHSA-N 0 0 434.515 3.703 50 0 IHAARN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000011664344 556345241 /nfs/dbraw/zinc/34/52/41/556345241.db2.gz HIIMIXMWVJMVKJ-FQEVSTJZSA-N 0 0 434.515 3.703 50 0 IHAARN Cc1ccc(OCCN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cc1 ZINC000011713471 556348083 /nfs/dbraw/zinc/34/80/83/556348083.db2.gz KZBKMQMHRQVPLJ-UHFFFAOYSA-N 0 0 436.552 3.926 50 0 IHAARN COCCn1c(C)cc(=O)c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1CC1CCCC1 ZINC000011785002 556352762 /nfs/dbraw/zinc/35/27/62/556352762.db2.gz ANXUFJRUQDKMBH-QGZVFWFLSA-N 0 0 436.556 3.903 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)/C=C/c1ccccn1)C2 ZINC000011785970 556353177 /nfs/dbraw/zinc/35/31/77/556353177.db2.gz RNMKIPAXBGCUID-CTDFXDFQSA-N 0 0 428.488 3.977 50 0 IHAARN O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000011785485 556353197 /nfs/dbraw/zinc/35/31/97/556353197.db2.gz SBOKIZAMEJAOBR-SFHVURJKSA-N 0 0 429.923 3.865 50 0 IHAARN O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000011785768 556353205 /nfs/dbraw/zinc/35/32/05/556353205.db2.gz JVJZDSZHROVATO-QHCPKHFHSA-N 0 0 429.455 3.575 50 0 IHAARN C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000032794530 556355171 /nfs/dbraw/zinc/35/51/71/556355171.db2.gz AMDLXYXGVOUOPU-OAHLLOKOSA-N 0 0 440.487 3.968 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)n2Cc2ccco2)c1 ZINC000014022679 556357093 /nfs/dbraw/zinc/35/70/93/556357093.db2.gz SYHSNMMITPKLRX-UHFFFAOYSA-N 0 0 438.509 3.939 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1c(F)cccc1F ZINC000011815362 556358421 /nfs/dbraw/zinc/35/84/21/556358421.db2.gz UMXUZNBDVAUWSW-XMMPIXPASA-N 0 0 449.501 3.639 50 0 IHAARN COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 ZINC000014070157 556360815 /nfs/dbraw/zinc/36/08/15/556360815.db2.gz ODSFLUYBWVYFPU-GUYCJALGSA-N 0 0 443.569 3.517 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 ZINC000011821567 556362853 /nfs/dbraw/zinc/36/28/53/556362853.db2.gz ZRPDEMHCKZEIMA-GOSISDBHSA-N 0 0 429.586 3.623 50 0 IHAARN COCc1c(C(=O)N(C)C[C@@H](O)c2ccccc2)c(=O)cc(C)n1CCCc1ccccc1 ZINC000011841547 556365425 /nfs/dbraw/zinc/36/54/25/556365425.db2.gz MZFFTLWPQWIRJQ-RUZDIDTESA-N 0 0 448.563 3.742 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)NC34CC5CC(CC(C5)C3)C4)CCC(=O)N2)cc1OC ZINC000011842050 556365479 /nfs/dbraw/zinc/36/54/79/556365479.db2.gz NAHLZJNRUHZJPG-AAQGMKQJSA-N 0 0 440.584 3.760 50 0 IHAARN COc1cccc([C@@]2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000014095592 556367605 /nfs/dbraw/zinc/36/76/05/556367605.db2.gz YHAKUVUYQVOWLP-RUZDIDTESA-N 0 0 429.476 3.915 50 0 IHAARN CCOc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1OC ZINC000014102992 556368180 /nfs/dbraw/zinc/36/81/80/556368180.db2.gz AZCWLBUZROBOLZ-UHFFFAOYSA-N 0 0 432.567 3.976 50 0 IHAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)n2nc(CCCO)nc2N1 ZINC000011859612 556368283 /nfs/dbraw/zinc/36/82/83/556368283.db2.gz VIFSOODVXVVBGM-FQEVSTJZSA-N 0 0 441.894 3.923 50 0 IHAARN COc1cccc(CCNC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)c1 ZINC000011869306 556368424 /nfs/dbraw/zinc/36/84/24/556368424.db2.gz OMXDYHAYHBCOFK-KRWDZBQOSA-N 0 0 426.542 3.572 50 0 IHAARN Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c2ccccc2n1 ZINC000032808564 556368773 /nfs/dbraw/zinc/36/87/73/556368773.db2.gz PARCQRZHQUESCI-UHFFFAOYSA-N 0 0 435.549 3.921 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1ccc(Cl)s1 ZINC000014110960 556369749 /nfs/dbraw/zinc/36/97/49/556369749.db2.gz IRVZXYQXGIADHG-UHFFFAOYSA-N 0 0 444.782 3.659 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000011878241 556370979 /nfs/dbraw/zinc/37/09/79/556370979.db2.gz PZOKTZQFXBHUKG-HXUWFJFHSA-N 0 0 442.519 3.850 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000014122083 556372589 /nfs/dbraw/zinc/37/25/89/556372589.db2.gz XXWWVSQGWGWCIC-UHFFFAOYSA-N 0 0 431.330 3.852 50 0 IHAARN O=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)Nc1ccccc1C(F)(F)F ZINC000014125151 556373170 /nfs/dbraw/zinc/37/31/70/556373170.db2.gz GCNYZRIUXJPNJK-UHFFFAOYSA-N 0 0 444.457 3.512 50 0 IHAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CC=C(c2ccccc2)CC1 ZINC000014124548 556373189 /nfs/dbraw/zinc/37/31/89/556373189.db2.gz LMUQXNINHWPQEI-HXUWFJFHSA-N 0 0 435.505 3.990 50 0 IHAARN COc1cccc(C[C@@]2(CCC(=O)N3CCC[C@@H](C(=O)c4ccccc4)C3)CCC(=O)N2)c1 ZINC000011882442 556373595 /nfs/dbraw/zinc/37/35/95/556373595.db2.gz FUAZVCVCKMGZRE-AMGIVPHBSA-N 0 0 448.563 3.788 50 0 IHAARN COc1ccc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F ZINC000014129525 556374510 /nfs/dbraw/zinc/37/45/10/556374510.db2.gz YRQRBVWHRZONKN-RUZDIDTESA-N 0 0 432.451 3.707 50 0 IHAARN CC(=O)Nc1cc(C(=O)NCCc2cccs2)cc2ncn(CCc3ccccn3)c21 ZINC000011912706 556375587 /nfs/dbraw/zinc/37/55/87/556375587.db2.gz HVPRDMZRLFIYHF-UHFFFAOYSA-N 0 0 433.537 3.666 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc(OC)c1 ZINC000014139642 556376117 /nfs/dbraw/zinc/37/61/17/556376117.db2.gz DAHRYGGICOTKMP-HOTGVXAUSA-N 0 0 432.542 3.623 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)c1cccs1 ZINC000014141931 556377130 /nfs/dbraw/zinc/37/71/30/556377130.db2.gz RPYXJUUOTRSIFF-UHFFFAOYSA-N 0 0 448.957 3.956 50 0 IHAARN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cc(CC(C)C)n[nH]2)CC1 ZINC000011935171 556378016 /nfs/dbraw/zinc/37/80/16/556378016.db2.gz LQPFIGXNFRFFRV-UHFFFAOYSA-N 0 0 426.561 3.552 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000014161335 556378164 /nfs/dbraw/zinc/37/81/64/556378164.db2.gz UHSCXSRJOSKKHH-HXUWFJFHSA-N 0 0 426.476 3.846 50 0 IHAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)c2cccs2)CC1 ZINC000014161402 556378729 /nfs/dbraw/zinc/37/87/29/556378729.db2.gz IJMRANXQWQNDAG-UHFFFAOYSA-N 0 0 434.945 3.731 50 0 IHAARN COc1ccc(C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccc(OC)cc2)cc1 ZINC000014168408 556380515 /nfs/dbraw/zinc/38/05/15/556380515.db2.gz JTFUFRRGUWUURQ-JOCHJYFZSA-N 0 0 429.480 3.598 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC2(C[C@@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000011967851 556382084 /nfs/dbraw/zinc/38/20/84/556382084.db2.gz CXLLDBZOOAZJPZ-JOCHJYFZSA-N 0 0 446.547 3.562 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)CC[C@@]2(Cc3cc(OC)ccc3F)CCC(=O)N2)c1 ZINC000011973053 556382827 /nfs/dbraw/zinc/38/28/27/556382827.db2.gz SNGYAJBQOOUBEB-GYCJOSAFSA-N 0 0 428.504 3.692 50 0 IHAARN Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(C)s1 ZINC000014182305 556382877 /nfs/dbraw/zinc/38/28/77/556382877.db2.gz UXPISQQESDFIRB-UHFFFAOYSA-N 0 0 425.476 3.780 50 0 IHAARN COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CCCc2ccccc2)C3)nc1 ZINC000011972944 556382915 /nfs/dbraw/zinc/38/29/15/556382915.db2.gz DQWOJRIEYHVYMH-OAQYLSRUSA-N 0 0 430.504 3.978 50 0 IHAARN C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000014183953 556384094 /nfs/dbraw/zinc/38/40/94/556384094.db2.gz GJFKEZLMYJMSEC-KBPBESRZSA-N 0 0 433.401 3.899 50 0 IHAARN COc1cc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc(OC)c1Br ZINC000014184075 556384115 /nfs/dbraw/zinc/38/41/15/556384115.db2.gz OMNIZIRJIKHQGB-UHFFFAOYSA-N 0 0 435.318 3.794 50 0 IHAARN C[C@@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011997769 556384718 /nfs/dbraw/zinc/38/47/18/556384718.db2.gz YWBQBTDBNCZZII-WNSKOXEYSA-N 0 0 443.931 3.877 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000014185948 556385738 /nfs/dbraw/zinc/38/57/38/556385738.db2.gz HESNEKVKNDANHS-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 ZINC000014193012 556388125 /nfs/dbraw/zinc/38/81/25/556388125.db2.gz UVHWVDILKIUUHP-UHFFFAOYSA-N 0 0 427.595 3.933 50 0 IHAARN CCOc1ccc(OCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000014196847 556388398 /nfs/dbraw/zinc/38/83/98/556388398.db2.gz OIQPRPPDEUJYKH-UHFFFAOYSA-N 0 0 427.526 3.939 50 0 IHAARN Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)o1 ZINC000012030328 556388428 /nfs/dbraw/zinc/38/84/28/556388428.db2.gz BGBMLHVSPZVTMI-XMMPIXPASA-N 0 0 431.536 3.604 50 0 IHAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2C(=O)CSC2=O)cc1 ZINC000012028914 556388548 /nfs/dbraw/zinc/38/85/48/556388548.db2.gz AUMGRBRWSZFRJD-HSZRJFAPSA-N 0 0 433.533 3.900 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1SC[C@@H]1CCCO1 ZINC000014200061 556390542 /nfs/dbraw/zinc/39/05/42/556390542.db2.gz ZQTJQRJFSWQSQK-SFHVURJKSA-N 0 0 446.594 3.995 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1SC[C@H]1CCCO1 ZINC000014200062 556390621 /nfs/dbraw/zinc/39/06/21/556390621.db2.gz ZQTJQRJFSWQSQK-GOSISDBHSA-N 0 0 446.594 3.995 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000032809868 556394820 /nfs/dbraw/zinc/39/48/20/556394820.db2.gz YQNQSHSOZPXINV-UHFFFAOYSA-N 0 0 434.448 3.633 50 0 IHAARN COc1ccccc1CN1C[C@@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC1=O ZINC000012057747 556394912 /nfs/dbraw/zinc/39/49/12/556394912.db2.gz MIBWTVOLECAVIP-INIZCTEOSA-N 0 0 438.421 3.908 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C ZINC000014229087 556396324 /nfs/dbraw/zinc/39/63/24/556396324.db2.gz NIVXDHVLPPPDCO-UHFFFAOYSA-N 0 0 435.568 3.666 50 0 IHAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)s1 ZINC000032811116 556398243 /nfs/dbraw/zinc/39/82/43/556398243.db2.gz XJRBRPOLJVIRFO-HXUWFJFHSA-N 0 0 432.592 3.782 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000014237107 556399667 /nfs/dbraw/zinc/39/96/67/556399667.db2.gz AXQWDQKENWACAG-HNNXBMFYSA-N 0 0 447.520 3.739 50 0 IHAARN CCOc1ccc([C@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 ZINC000014237879 556399971 /nfs/dbraw/zinc/39/99/71/556399971.db2.gz KPUQDVCUVSRBFN-QFIPXVFZSA-N 0 0 430.888 3.867 50 0 IHAARN CCOc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1S(=O)(=O)N(C)C ZINC000032814597 556400250 /nfs/dbraw/zinc/40/02/50/556400250.db2.gz USXGIBMIEULHST-OAHLLOKOSA-N 0 0 430.530 3.867 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014244115 556403788 /nfs/dbraw/zinc/40/37/88/556403788.db2.gz DZRSCUCKNIPLKE-BBRMVZONSA-N 0 0 440.587 3.641 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000022930646 556403939 /nfs/dbraw/zinc/40/39/39/556403939.db2.gz BXGLQRLINBITNJ-UHFFFAOYSA-N 0 0 439.947 3.709 50 0 IHAARN COc1ccc([C@@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccccc2)cc1 ZINC000014244595 556404261 /nfs/dbraw/zinc/40/42/61/556404261.db2.gz RIGAVQJPFYAWJD-DEOSSOPVSA-N 0 0 431.492 3.828 50 0 IHAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000014245407 556405262 /nfs/dbraw/zinc/40/52/62/556405262.db2.gz ROZYOYYYOJHAGZ-KBAYOESNSA-N 0 0 440.556 3.841 50 0 IHAARN O=C(OCc1nc2ccccc2s1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014248495 556407739 /nfs/dbraw/zinc/40/77/39/556407739.db2.gz YPLXRSIWQSOQRI-AWEZNQCLSA-N 0 0 434.514 3.580 50 0 IHAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C ZINC000032610691 556408632 /nfs/dbraw/zinc/40/86/32/556408632.db2.gz WWGRWRLJVSSDBI-OAHLLOKOSA-N 0 0 440.525 3.847 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCOCC2)cc1 ZINC000032623326 556410484 /nfs/dbraw/zinc/41/04/84/556410484.db2.gz TZEKIPRAEGVTLE-QHCPKHFHSA-N 0 0 435.524 3.770 50 0 IHAARN O=C(CN1CCc2ccccc21)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1 ZINC000032642686 556412308 /nfs/dbraw/zinc/41/23/08/556412308.db2.gz FDGMJRTXJMVVFS-UHFFFAOYSA-N 0 0 441.940 3.515 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCCNC(N)=O ZINC000032678760 556416233 /nfs/dbraw/zinc/41/62/33/556416233.db2.gz HVZFGLGUVCYFJS-UHFFFAOYSA-N 0 0 425.920 3.600 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000032678617 556416281 /nfs/dbraw/zinc/41/62/81/556416281.db2.gz YIRXNZYKASMHDR-UHFFFAOYSA-N 0 0 430.551 3.854 50 0 IHAARN COc1cc(CCC2CCN(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc(OC)c1 ZINC000012943509 556417342 /nfs/dbraw/zinc/41/73/42/556417342.db2.gz YDQOHLCNNABMOB-IQGLISFBSA-N 0 0 443.588 3.807 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000014526267 556420045 /nfs/dbraw/zinc/42/00/45/556420045.db2.gz YKCGPHSQQDJPMY-MRXNPFEDSA-N 0 0 430.487 3.914 50 0 IHAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012974181 556420269 /nfs/dbraw/zinc/42/02/69/556420269.db2.gz FAGCGLNBCNOZNK-UHFFFAOYSA-N 0 0 425.938 3.595 50 0 IHAARN O=C(CSc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012974435 556420282 /nfs/dbraw/zinc/42/02/82/556420282.db2.gz QDECOXGAKJODFV-UHFFFAOYSA-N 0 0 431.539 3.733 50 0 IHAARN O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012974927 556420929 /nfs/dbraw/zinc/42/09/29/556420929.db2.gz NUDICRRVIHILDG-QGZVFWFLSA-N 0 0 426.538 3.938 50 0 IHAARN COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)c3ccccc3Cl)CC2=O)c1 ZINC000014534029 556422250 /nfs/dbraw/zinc/42/22/50/556422250.db2.gz FJNSLFOZOBEEKO-FQEVSTJZSA-N 0 0 442.943 3.628 50 0 IHAARN O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000012980082 556423840 /nfs/dbraw/zinc/42/38/40/556423840.db2.gz CPBIVUDTJBOJCK-LBPRGKRZSA-N 0 0 429.361 3.550 50 0 IHAARN CSc1nc(C)c(CCC(=O)Nc2cccc(I)c2)c(C)n1 ZINC000012986017 556426751 /nfs/dbraw/zinc/42/67/51/556426751.db2.gz SAWPEQMKVUSEQK-UHFFFAOYSA-N 0 0 427.311 3.991 50 0 IHAARN Nc1nc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nc2sccc21 ZINC000032841110 556426844 /nfs/dbraw/zinc/42/68/44/556426844.db2.gz RSJQBANIXVAIRK-CYBMUJFWSA-N 0 0 425.495 3.930 50 0 IHAARN COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012986739 556427171 /nfs/dbraw/zinc/42/71/71/556427171.db2.gz ACSNVVIDNMTMJT-UHFFFAOYSA-N 0 0 431.536 3.862 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)c1cccc(Cl)c1 ZINC000032842634 556427881 /nfs/dbraw/zinc/42/78/81/556427881.db2.gz XKHSMXYZRPQDSW-HIFRSBDPSA-N 0 0 441.958 3.617 50 0 IHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000012989630 556428215 /nfs/dbraw/zinc/42/82/15/556428215.db2.gz SLWWMSCWFBEXEK-OAHLLOKOSA-N 0 0 438.336 3.893 50 0 IHAARN CCN(Cn1nc(Nc2ccc(C)c(Cl)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012993342 556429207 /nfs/dbraw/zinc/42/92/07/556429207.db2.gz WONNEEPLDNJMQL-ZDUSSCGKSA-N 0 0 433.024 3.846 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012993451 556429368 /nfs/dbraw/zinc/42/93/68/556429368.db2.gz NEMZGEZRVQRBGW-UHFFFAOYSA-N 0 0 428.485 3.603 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)c1 ZINC000012995061 556430618 /nfs/dbraw/zinc/43/06/18/556430618.db2.gz YPMDKGCQKKMCGK-UHFFFAOYSA-N 0 0 445.947 3.936 50 0 IHAARN COCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1c[nH]c2ccccc21 ZINC000011024747 556433309 /nfs/dbraw/zinc/43/33/09/556433309.db2.gz UEBWUZQADHBAFY-UHFFFAOYSA-N 0 0 428.543 3.569 50 0 IHAARN CCOc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc4ccccc4c3)C2=O)cc1OCC ZINC000013016033 556437763 /nfs/dbraw/zinc/43/77/63/556437763.db2.gz YHBSDXOZBLODHG-UHFFFAOYSA-N 0 0 446.459 3.815 50 0 IHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000027977461 556437880 /nfs/dbraw/zinc/43/78/80/556437880.db2.gz DLTAUWYXGPPGLX-QGZVFWFLSA-N 0 0 441.513 3.670 50 0 IHAARN CCC(=O)N(c1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1)C1CC1 ZINC000013016952 556438292 /nfs/dbraw/zinc/43/82/92/556438292.db2.gz BMEULLCRMCDATM-UHFFFAOYSA-N 0 0 432.358 3.876 50 0 IHAARN CC(C)NC(=O)CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000013038709 556444701 /nfs/dbraw/zinc/44/47/01/556444701.db2.gz MLRZOHPTAXOQPF-CYBMUJFWSA-N 0 0 435.933 3.536 50 0 IHAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3)n2)cc1 ZINC000013042543 556448469 /nfs/dbraw/zinc/44/84/69/556448469.db2.gz UCDNHQZLKIKBNW-UHFFFAOYSA-N 0 0 437.521 3.709 50 0 IHAARN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCOCC2)cc1 ZINC000028291707 556450081 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ZINC000014976934 556469245 /nfs/dbraw/zinc/46/92/45/556469245.db2.gz ZRVPBAXWJAVJLI-QFIPXVFZSA-N 0 0 432.568 3.706 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)c(OC)c1C ZINC000014977592 556469608 /nfs/dbraw/zinc/46/96/08/556469608.db2.gz OWGATTXBIIKCPB-UHFFFAOYSA-N 0 0 425.485 3.527 50 0 IHAARN Cc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)sc1-c1nccn1C(F)F ZINC000029195410 556469941 /nfs/dbraw/zinc/46/99/41/556469941.db2.gz NXVYEKDWNDKIEL-LBPRGKRZSA-N 0 0 435.456 3.794 50 0 IHAARN COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@H](C)Oc2cccc(Cl)c2)O3)nn1 ZINC000014980740 556470615 /nfs/dbraw/zinc/47/06/15/556470615.db2.gz ZJVSUEWPXTXEIJ-LIRRHRJNSA-N 0 0 439.899 3.693 50 0 IHAARN COc1cc(OC)c(NC(=O)COC(=O)c2ccc(Br)cc2)cc1Cl ZINC000029269366 556471290 /nfs/dbraw/zinc/47/12/90/556471290.db2.gz NDRPTZHITLKZTQ-UHFFFAOYSA-N 0 0 428.666 3.915 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000029280149 556471559 /nfs/dbraw/zinc/47/15/59/556471559.db2.gz 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Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000013124050 556474853 /nfs/dbraw/zinc/47/48/53/556474853.db2.gz CICXRXAEOQOGEH-CZUORRHYSA-N 0 0 438.479 3.885 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000014991808 556475394 /nfs/dbraw/zinc/47/53/94/556475394.db2.gz REYZXQMDRDTAER-FQEVSTJZSA-N 0 0 438.553 3.536 50 0 IHAARN Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2nc1C ZINC000013128885 556478509 /nfs/dbraw/zinc/47/85/09/556478509.db2.gz URNAIZLOEJXJDK-UHFFFAOYSA-N 0 0 436.493 3.570 50 0 IHAARN CS(=O)(=O)c1ccc(N(CCc2ccc(Cl)cc2)CC2CC2)c(S(C)(=O)=O)c1 ZINC000072286888 556479037 /nfs/dbraw/zinc/47/90/37/556479037.db2.gz PWKKLLJZSBZEIH-UHFFFAOYSA-N 0 0 442.002 3.606 50 0 IHAARN COc1cc(CCc2cc(NC(=O)c3ccc(F)c(NC(C)=O)c3)n[nH]2)cc(OC)c1 ZINC000072287993 556480553 /nfs/dbraw/zinc/48/05/53/556480553.db2.gz YVNKTBAJCHYAHB-UHFFFAOYSA-N 0 0 426.448 3.562 50 0 IHAARN CN(Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000015006645 556481872 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3.553 50 0 IHAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032872078 556489829 /nfs/dbraw/zinc/48/98/29/556489829.db2.gz LEMYVZRPLYKMNP-UHFFFAOYSA-N 0 0 430.942 3.963 50 0 IHAARN O=C(NCCSCc1ccc(Br)s1)c1ccc2c(c1)OCC(=O)N2 ZINC000030201796 556491275 /nfs/dbraw/zinc/49/12/75/556491275.db2.gz CYRZZSDYNZWONS-UHFFFAOYSA-N 0 0 427.345 3.505 50 0 IHAARN CN(Cc1nccn1C(F)F)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000030231994 556492062 /nfs/dbraw/zinc/49/20/62/556492062.db2.gz JZGITMQRFAPGPA-UHFFFAOYSA-N 0 0 431.892 3.677 50 0 IHAARN CCN1C(=O)C(=C(C)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)N(CC)C1=S ZINC000013150327 556492273 /nfs/dbraw/zinc/49/22/73/556492273.db2.gz HPOXFLLDELJPJZ-UHFFFAOYSA-N 0 0 439.585 3.851 50 0 IHAARN O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000013153893 556492970 /nfs/dbraw/zinc/49/29/70/556492970.db2.gz KAKFAFXXABZTRD-UHFFFAOYSA-N 0 0 434.366 3.976 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)cc1OC ZINC000015066864 556493005 /nfs/dbraw/zinc/49/30/05/556493005.db2.gz QYZLHIJUIXYISW-SANMLTNESA-N 0 0 449.551 3.516 50 0 IHAARN Cc1nc2ccc(NC(=O)[C@@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)cc2s1 ZINC000013163542 556494055 /nfs/dbraw/zinc/49/40/55/556494055.db2.gz LSBLTNBMZNXXPQ-KRWDZBQOSA-N 0 0 440.550 3.547 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](OCc4ccccc4)C3)n2)c(OC)c1OC ZINC000015069955 556495033 /nfs/dbraw/zinc/49/50/33/556495033.db2.gz SUEXXGHDMVIIJJ-SFHVURJKSA-N 0 0 439.512 3.944 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000030476485 556495197 /nfs/dbraw/zinc/49/51/97/556495197.db2.gz MFDBMUBBZWQJAL-UHFFFAOYSA-N 0 0 435.509 3.589 50 0 IHAARN COc1ccc(C[C@@]2(CCC(=O)N[C@H](c3ccccc3)c3ccncc3)CCC(=O)N2)cc1 ZINC000015070661 556495374 /nfs/dbraw/zinc/49/53/74/556495374.db2.gz MZKIXUIVJQJUNW-KAYWLYCHSA-N 0 0 443.547 3.968 50 0 IHAARN CCCCn1c(N)c(N(CC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000013164163 556495730 /nfs/dbraw/zinc/49/57/30/556495730.db2.gz QLDJHZBSSNBLIH-UHFFFAOYSA-N 0 0 441.454 3.632 50 0 IHAARN O=C(NCCSCc1ccc(Br)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000030513607 556495852 /nfs/dbraw/zinc/49/58/52/556495852.db2.gz MGAGXCMITIKLML-UHFFFAOYSA-N 0 0 431.421 3.509 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030521111 556496573 /nfs/dbraw/zinc/49/65/73/556496573.db2.gz QYMRNURBLSYETD-UHFFFAOYSA-N 0 0 435.546 3.666 50 0 IHAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000030549818 556497654 /nfs/dbraw/zinc/49/76/54/556497654.db2.gz AVLQTWFXZNKLMD-CYBMUJFWSA-N 0 0 440.537 3.573 50 0 IHAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013164925 556497783 /nfs/dbraw/zinc/49/77/83/556497783.db2.gz PHSNDICWFDTTBD-ZDUSSCGKSA-N 0 0 426.498 3.939 50 0 IHAARN CCOc1cc2c(cc1NC(=O)CCc1c(C)nc3c(c(OC)nn3C)c1C)O[C@H](C)C2 ZINC000030726767 556502597 /nfs/dbraw/zinc/50/25/97/556502597.db2.gz RJBRPAAVYWZMCL-CYBMUJFWSA-N 0 0 438.528 3.887 50 0 IHAARN O=C(Nc1nnc(CCCCc2nnc(NC(=O)c3ccco3)s2)s1)c1ccco1 ZINC000013425380 556505515 /nfs/dbraw/zinc/50/55/15/556505515.db2.gz GDWYBVRLMXDSFO-UHFFFAOYSA-N 0 0 444.498 3.646 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)N(CC)CC)cc3c2c1 ZINC000013465073 556506743 /nfs/dbraw/zinc/50/67/43/556506743.db2.gz UHOQZPWVIXHMAA-UHFFFAOYSA-N 0 0 438.571 3.647 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000015162292 556507104 /nfs/dbraw/zinc/50/71/04/556507104.db2.gz UFRKKCFNXOBQPF-UHFFFAOYSA-N 0 0 448.523 3.947 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(O)c2)c(OC)cc1Cl ZINC000013494468 556508514 /nfs/dbraw/zinc/50/85/14/556508514.db2.gz DZYMLERTRFQNRT-LJQANCHMSA-N 0 0 441.875 3.582 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc3c4ccccc4[nH]c3n2)nc1C ZINC000013494683 556508761 /nfs/dbraw/zinc/50/87/61/556508761.db2.gz BSCAGMZZPXMMQE-JTQLQIEISA-N 0 0 442.526 3.567 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000032883725 556509568 /nfs/dbraw/zinc/50/95/68/556509568.db2.gz FWGCWCPXXTYRIS-UHFFFAOYSA-N 0 0 435.571 3.833 50 0 IHAARN COCCCNC(=O)CN(C)c1ncnc2cc(-c3ccc(Br)cc3)sc21 ZINC000032888308 556510771 /nfs/dbraw/zinc/51/07/71/556510771.db2.gz KLVOMEBMFXCBKY-UHFFFAOYSA-N 0 0 449.374 3.710 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000015202097 556510841 /nfs/dbraw/zinc/51/08/41/556510841.db2.gz JDIARZHZDAJGPX-UHFFFAOYSA-N 0 0 427.353 3.766 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c(OC)c1 ZINC000013557537 556517485 /nfs/dbraw/zinc/51/74/85/556517485.db2.gz JHRHMQMLZZDALR-XXBNENTESA-N 0 0 434.473 3.846 50 0 IHAARN Cc1nc2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2nc1C ZINC000032889418 556518554 /nfs/dbraw/zinc/51/85/54/556518554.db2.gz ACDDMULHQIYDOS-UHFFFAOYSA-N 0 0 431.492 3.753 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011073959 556518961 /nfs/dbraw/zinc/51/89/61/556518961.db2.gz JMRHDYOLKMFNAY-JKSUJKDBSA-N 0 0 442.947 3.671 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@H](C)n2c3ccccc3oc2=O)o1 ZINC000032889968 556519007 /nfs/dbraw/zinc/51/90/07/556519007.db2.gz XCGYVWIQYISTFL-ZDUSSCGKSA-N 0 0 446.419 3.912 50 0 IHAARN CN1CCN(C(=O)Cc2csc(COc3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 ZINC000032893039 556520334 /nfs/dbraw/zinc/52/03/34/556520334.db2.gz XELPHELZFINZME-NRFANRHFSA-N 0 0 425.529 3.919 50 0 IHAARN CCOC(=O)[C@@](NC(=O)c1ccccc1OCC)(Nc1ccc(F)cc1)C(F)(F)F ZINC000003103565 556522838 /nfs/dbraw/zinc/52/28/38/556522838.db2.gz XMQROMUHPZJWIQ-IBGZPJMESA-N 0 0 428.382 3.888 50 0 IHAARN O=C(CSCc1ccc(Cl)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000015378257 556523640 /nfs/dbraw/zinc/52/36/40/556523640.db2.gz RADYRFIDZFUOJB-MRXNPFEDSA-N 0 0 430.016 3.851 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)s1 ZINC000072301010 556523946 /nfs/dbraw/zinc/52/39/46/556523946.db2.gz OCIBOFMVZIRWPW-INIZCTEOSA-N 0 0 429.325 3.854 50 0 IHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F ZINC000072300989 556524181 /nfs/dbraw/zinc/52/41/81/556524181.db2.gz ZKRKIIFCJUWQHV-UHFFFAOYSA-N 0 0 435.452 3.862 50 0 IHAARN COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3cccnc3)C2=O)c(OC)c1 ZINC000015413434 556526302 /nfs/dbraw/zinc/52/63/02/556526302.db2.gz DJBSCEGPOVUTSN-QFIPXVFZSA-N 0 0 437.883 3.873 50 0 IHAARN CCN(CC(=O)NCc1cccs1)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000015420448 556527169 /nfs/dbraw/zinc/52/71/69/556527169.db2.gz PORXGYDZMUMLQM-HSZRJFAPSA-N 0 0 441.622 3.962 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000015490689 556530466 /nfs/dbraw/zinc/53/04/66/556530466.db2.gz LCGBBICKROSDCX-LBPRGKRZSA-N 0 0 448.342 3.726 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2cc3c(c(Br)c2)OCO3)N1C[C@H]1CCCO1 ZINC000015503798 556531657 /nfs/dbraw/zinc/53/16/57/556531657.db2.gz BOHMAYFVEBJQKT-BFUOFWGJSA-N 0 0 431.286 3.923 50 0 IHAARN Cc1sc2nc([C@@H](C)N3CCC(C(=O)Nc4ccccc4O)CC3)[nH]c(=O)c2c1C ZINC000015507437 556531961 /nfs/dbraw/zinc/53/19/61/556531961.db2.gz ZMXXJYJLKPUUJJ-CYBMUJFWSA-N 0 0 426.542 3.719 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000032901172 556532622 /nfs/dbraw/zinc/53/26/22/556532622.db2.gz KZGOHGWXVFXUFB-CQSZACIVSA-N 0 0 437.323 3.550 50 0 IHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000013598027 556532768 /nfs/dbraw/zinc/53/27/68/556532768.db2.gz RMZADEXWSAWEPI-UHFFFAOYSA-N 0 0 429.542 3.682 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000015541696 556533715 /nfs/dbraw/zinc/53/37/15/556533715.db2.gz ARWIJJIMYWTJKA-OAQYLSRUSA-N 0 0 446.544 3.986 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015545952 556534105 /nfs/dbraw/zinc/53/41/05/556534105.db2.gz BDCZCGVSPWVMRE-NRFANRHFSA-N 0 0 427.932 3.867 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000032901542 556536769 /nfs/dbraw/zinc/53/67/69/556536769.db2.gz QGHWFQAUHBMIHQ-JOCHJYFZSA-N 0 0 430.545 3.907 50 0 IHAARN CCc1cc2oc(=O)cc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)c2cc1Cl ZINC000032719370 556537111 /nfs/dbraw/zinc/53/71/11/556537111.db2.gz OAVLQPCKAWZMAT-LJQANCHMSA-N 0 0 427.840 3.842 50 0 IHAARN C[C@H](OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 ZINC000032901667 556537092 /nfs/dbraw/zinc/53/70/92/556537092.db2.gz JEFHCAJZXTWUHG-BONVTDFDSA-N 0 0 430.873 3.892 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000015618910 556538708 /nfs/dbraw/zinc/53/87/08/556538708.db2.gz DXACDYLAZKYDBW-UHFFFAOYSA-N 0 0 430.526 3.583 50 0 IHAARN CC(=O)N[C@@]1(CC(=O)Nc2ccc(Br)cc2)c2ccccc2N(C(C)C)C1=O ZINC000013629677 556538827 /nfs/dbraw/zinc/53/88/27/556538827.db2.gz OTRMLQYQGLEEBR-NRFANRHFSA-N 0 0 444.329 3.564 50 0 IHAARN CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032902148 556538864 /nfs/dbraw/zinc/53/88/64/556538864.db2.gz KREYGAJNQWMLDB-UHFFFAOYSA-N 0 0 425.466 3.750 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1 ZINC000032903353 556539253 /nfs/dbraw/zinc/53/92/53/556539253.db2.gz WUXQOCZSYYIZFQ-UHFFFAOYSA-N 0 0 429.427 3.620 50 0 IHAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2C)cc1C ZINC000032579601 556541508 /nfs/dbraw/zinc/54/15/08/556541508.db2.gz XZNPBEDSBNYALY-UHFFFAOYSA-N 0 0 441.532 3.791 50 0 IHAARN COc1ccccc1[C@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000013637307 556541461 /nfs/dbraw/zinc/54/14/61/556541461.db2.gz KUUYSFDILVBILD-DEOSSOPVSA-N 0 0 443.551 3.843 50 0 IHAARN CSc1ccc([C@@H]2NC3=NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000013638224 556541642 /nfs/dbraw/zinc/54/16/42/556541642.db2.gz RHSYLVBXXPEAFA-JOCHJYFZSA-N 0 0 441.564 3.897 50 0 IHAARN CC1(C)CC(=O)c2ccc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2O1 ZINC000013655378 556545983 /nfs/dbraw/zinc/54/59/83/556545983.db2.gz JNIWHZROVYQQFQ-UHFFFAOYSA-N 0 0 443.927 3.973 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1=NCCS1 ZINC000032721883 556547372 /nfs/dbraw/zinc/54/73/72/556547372.db2.gz XTKHEHLQXPMGNG-UHFFFAOYSA-N 0 0 444.365 3.556 50 0 IHAARN O=C(NC[C@](O)(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072304398 556548484 /nfs/dbraw/zinc/54/84/84/556548484.db2.gz GRXUOEIEIJOEPL-HFZDXXHNSA-N 0 0 448.588 3.847 50 0 IHAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 ZINC000015767769 556549531 /nfs/dbraw/zinc/54/95/31/556549531.db2.gz HRJFIRGBPYILHM-DEDYPNTBSA-N 0 0 444.443 3.612 50 0 IHAARN CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1OCC(F)(F)F ZINC000072304884 556549568 /nfs/dbraw/zinc/54/95/68/556549568.db2.gz OTXPWJARKFUMLQ-UHFFFAOYSA-N 0 0 432.240 3.856 50 0 IHAARN Cc1ccc(-c2noc3ncn(CCC(=O)NCCc4ccc(Cl)cc4)c(=O)c32)cc1 ZINC000032933641 556549620 /nfs/dbraw/zinc/54/96/20/556549620.db2.gz YFYMIVSYCDHVTL-UHFFFAOYSA-N 0 0 436.899 3.762 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000032906608 556553380 /nfs/dbraw/zinc/55/33/80/556553380.db2.gz OLCPIGRPAPWQTG-ZDUSSCGKSA-N 0 0 445.317 3.529 50 0 IHAARN COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4cccc(F)c4)c(=O)c32)c1 ZINC000033250030 556556959 /nfs/dbraw/zinc/55/69/59/556556959.db2.gz ZQXPNBKMGLUSTB-UHFFFAOYSA-N 0 0 442.834 3.881 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274728 556559142 /nfs/dbraw/zinc/55/91/42/556559142.db2.gz UTMSEXLNFMIZEE-UHFFFAOYSA-N 0 0 444.597 3.969 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c1 ZINC000033290505 556559731 /nfs/dbraw/zinc/55/97/31/556559731.db2.gz BJCSJRDDRAIINV-MRXNPFEDSA-N 0 0 446.507 3.926 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000015869589 556560303 /nfs/dbraw/zinc/56/03/03/556560303.db2.gz PMHDGPIQKCLEJN-UHFFFAOYSA-N 0 0 428.554 3.977 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)OCCC(C)C ZINC000072306765 556560394 /nfs/dbraw/zinc/56/03/94/556560394.db2.gz GIGIIIAJRNJHJJ-FZKQIMNGSA-N 0 0 439.350 3.582 50 0 IHAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2/sc3ncnn3c2=O)ccc1OC(C)C ZINC000033305388 556560398 /nfs/dbraw/zinc/56/03/98/556560398.db2.gz WTWSYIIJSFTQJP-CIAFOILYSA-N 0 0 443.532 3.647 50 0 IHAARN O=C(Nc1c(F)cccc1F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000015913207 556563154 /nfs/dbraw/zinc/56/31/54/556563154.db2.gz KKLDUCLMAUAPAR-QGZVFWFLSA-N 0 0 434.489 3.781 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015919256 556563716 /nfs/dbraw/zinc/56/37/16/556563716.db2.gz FNBGJIUQKAXVJY-UHFFFAOYSA-N 0 0 438.880 3.567 50 0 IHAARN CCCCNC(=O)N(CCc1ccccc1OC)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000015931672 556565395 /nfs/dbraw/zinc/56/53/95/556565395.db2.gz AJOLTKCWHCIXMR-NRFANRHFSA-N 0 0 437.540 3.690 50 0 IHAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000072308309 556565853 /nfs/dbraw/zinc/56/58/53/556565853.db2.gz WOSYZTDUGFOOIN-RUZDIDTESA-N 0 0 431.536 3.898 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000015961808 556569351 /nfs/dbraw/zinc/56/93/51/556569351.db2.gz NOFOJLOGLKAEMH-UHFFFAOYSA-N 0 0 442.459 3.506 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000015973409 556570038 /nfs/dbraw/zinc/57/00/38/556570038.db2.gz IYERFPXIFJOEGP-WEBUEUPWSA-N 0 0 429.879 3.758 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000032909237 556572676 /nfs/dbraw/zinc/57/26/76/556572676.db2.gz ADZNJUURGQRNJU-UHFFFAOYSA-N 0 0 444.578 3.641 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2cccc(Cl)c2)cc1 ZINC000001131876 556574107 /nfs/dbraw/zinc/57/41/07/556574107.db2.gz GVKJATVUCDGCDH-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1C ZINC000072310084 556578214 /nfs/dbraw/zinc/57/82/14/556578214.db2.gz GDHWMLMYOYSZRU-OAQYLSRUSA-N 0 0 433.549 3.889 50 0 IHAARN Cc1noc2ncc(C(=O)N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000032909971 556578354 /nfs/dbraw/zinc/57/83/54/556578354.db2.gz DWLOCAPZLYYWDA-UHFFFAOYSA-N 0 0 440.503 3.648 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CC(=O)Nc2ccccc21 ZINC000016045316 556579209 /nfs/dbraw/zinc/57/92/09/556579209.db2.gz JVXHFVUIPUFYQN-UHFFFAOYSA-N 0 0 447.944 3.504 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C1CCC1 ZINC000016051031 556581271 /nfs/dbraw/zinc/58/12/71/556581271.db2.gz DYVWXLACMHZVBH-UHFFFAOYSA-N 0 0 439.331 3.997 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)on2)cc1 ZINC000032911702 556584808 /nfs/dbraw/zinc/58/48/08/556584808.db2.gz JXSJIFQJUHPPLI-UHFFFAOYSA-N 0 0 432.524 3.663 50 0 IHAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000072311543 556586607 /nfs/dbraw/zinc/58/66/07/556586607.db2.gz XPGXXRUBAATAQS-UHFFFAOYSA-N 0 0 445.401 3.733 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000032975629 556600145 /nfs/dbraw/zinc/60/01/45/556600145.db2.gz YXMVUTFPQUPCJP-RTBURBONSA-N 0 0 430.501 3.610 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000032975677 556600349 /nfs/dbraw/zinc/60/03/49/556600349.db2.gz VSBGXJMFQQTQDH-WOJBJXKFSA-N 0 0 426.538 3.779 50 0 IHAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)ccc21 ZINC000060266142 556601164 /nfs/dbraw/zinc/60/11/64/556601164.db2.gz LDIOIHGBBYEMMS-UHFFFAOYSA-N 0 0 434.521 3.806 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000016349819 556602112 /nfs/dbraw/zinc/60/21/12/556602112.db2.gz ZZAGKRLLOBKGBJ-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN COc1ccc(C(=O)NCCOc2c(C)cc(Br)cc2C)c(OC)c1OC ZINC000016381748 556603799 /nfs/dbraw/zinc/60/37/99/556603799.db2.gz CEFPYHVLCUTNNK-UHFFFAOYSA-N 0 0 438.318 3.901 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3cccc(Cl)c3)s2)cc1 ZINC000032987423 556607511 /nfs/dbraw/zinc/60/75/11/556607511.db2.gz DKZUOSSGTICROY-UHFFFAOYSA-N 0 0 430.917 3.585 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000016448683 556608755 /nfs/dbraw/zinc/60/87/55/556608755.db2.gz MNVBLZBEMSYWEX-UHFFFAOYSA-N 0 0 430.961 3.525 50 0 IHAARN COc1ccc([C@@H](NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c2nccn2C)cc1 ZINC000016476740 556610654 /nfs/dbraw/zinc/61/06/54/556610654.db2.gz IQEDPWASUCASGV-XMMPIXPASA-N 0 0 445.519 3.990 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cccc(Cl)c4)cc3=O)s2)cc1 ZINC000032996064 556611156 /nfs/dbraw/zinc/61/11/56/556611156.db2.gz HBNSWKKKOOTPNK-UHFFFAOYSA-N 0 0 441.900 3.802 50 0 IHAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Br)c(Br)s1 ZINC000032995805 556611164 /nfs/dbraw/zinc/61/11/64/556611164.db2.gz RJQNRJNHSBYEOX-MRVPVSSYSA-N 0 0 433.121 3.843 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528647 556613084 /nfs/dbraw/zinc/61/30/84/556613084.db2.gz QZADDAOCCMACRF-UHFFFAOYSA-N 0 0 434.466 3.840 50 0 IHAARN CCc1cc2c(ncnc2N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)s1 ZINC000032916263 556615043 /nfs/dbraw/zinc/61/50/43/556615043.db2.gz VIKSYOPNHCBJKS-SFHVURJKSA-N 0 0 430.961 3.943 50 0 IHAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000032916411 556615076 /nfs/dbraw/zinc/61/50/76/556615076.db2.gz HBNCBPSAOKSOHL-UHFFFAOYSA-N 0 0 435.427 3.789 50 0 IHAARN COCCCN1CN(c2ccc(OC)cc2)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 ZINC000038829969 556621321 /nfs/dbraw/zinc/62/13/21/556621321.db2.gz YURKHMRDGQPXTK-UHFFFAOYSA-N 0 0 434.540 3.556 50 0 IHAARN COC(=O)c1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000032999106 556627323 /nfs/dbraw/zinc/62/73/23/556627323.db2.gz CZOCSSWIWZYJDL-UHFFFAOYSA-N 0 0 447.495 3.755 50 0 IHAARN COC(=O)c1ccc(CNC(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1 ZINC000039485461 556629477 /nfs/dbraw/zinc/62/94/77/556629477.db2.gz FSGKFVDRLDUJQL-XMMPIXPASA-N 0 0 448.494 3.864 50 0 IHAARN CC1=NC(=S)N[C@H](c2ccc(OCC(C)C)c(O)c2)C1C(=O)OCc1ccccc1 ZINC000016734012 556632509 /nfs/dbraw/zinc/63/25/09/556632509.db2.gz FAMSRBAGRLVRQY-OAQYLSRUSA-N 0 0 426.538 3.963 50 0 IHAARN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000097938312 556634317 /nfs/dbraw/zinc/63/43/17/556634317.db2.gz ZNVFTHIAPPCQCS-UHFFFAOYSA-N 0 0 443.547 3.890 50 0 IHAARN CC[C@H](C)NC(=O)CN1C(=O)COc2ccc(C(=O)COc3c(C)cc(C)cc3C)cc21 ZINC000037512644 556638779 /nfs/dbraw/zinc/63/87/79/556638779.db2.gz NQMCGKNBRDVPLE-SFHVURJKSA-N 0 0 438.524 3.514 50 0 IHAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000409414000 556641318 /nfs/dbraw/zinc/64/13/18/556641318.db2.gz YWHPZDLQXMFJMT-OAHLLOKOSA-N 0 0 426.885 3.543 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000016822428 556644999 /nfs/dbraw/zinc/64/49/99/556644999.db2.gz LCFLZAIGRDMCRO-MRXNPFEDSA-N 0 0 441.915 3.764 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)N3CCCCCC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726549 556647357 /nfs/dbraw/zinc/64/73/57/556647357.db2.gz IDHVQCZNVFVQEL-INIZCTEOSA-N 0 0 429.611 3.823 50 0 IHAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCC1(c2ccccc2)CC1 ZINC000011750295 556650338 /nfs/dbraw/zinc/65/03/38/556650338.db2.gz KZNGBOGTJBWKDU-UHFFFAOYSA-N 0 0 441.325 3.673 50 0 IHAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752383 556651099 /nfs/dbraw/zinc/65/10/99/556651099.db2.gz IMNVYJMNLFSBGF-LLDWYLAQSA-N 0 0 441.553 3.727 50 0 IHAARN COc1cccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000016960483 556651242 /nfs/dbraw/zinc/65/12/42/556651242.db2.gz HSVADUZGKRNZCR-FQEVSTJZSA-N 0 0 444.491 3.579 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(OC)c(OC)c3)n2)cc1C ZINC000011758727 556652550 /nfs/dbraw/zinc/65/25/50/556652550.db2.gz LLQVOTKHHJXEGM-UHFFFAOYSA-N 0 0 448.566 3.665 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000011758425 556652703 /nfs/dbraw/zinc/65/27/03/556652703.db2.gz SISYEXCAMKDQJJ-UHFFFAOYSA-N 0 0 447.804 3.893 50 0 IHAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1cccc(Cl)c1 ZINC000011758518 556652973 /nfs/dbraw/zinc/65/29/73/556652973.db2.gz PTOUPCGHEIPZAA-UHFFFAOYSA-N 0 0 428.880 3.793 50 0 IHAARN COc1ccc(-c2nc3cc(NC(=O)CN4C(=O)c5ccccc5C4=O)ccc3o2)cc1 ZINC000033004066 556654471 /nfs/dbraw/zinc/65/44/71/556654471.db2.gz AHQMHLQHWUWDQR-UHFFFAOYSA-N 0 0 427.416 3.738 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032925902 556655203 /nfs/dbraw/zinc/65/52/03/556655203.db2.gz IXFVOHLHNAWDQW-WMLDXEAASA-N 0 0 444.391 3.565 50 0 IHAARN CCOC(=O)CCNC(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(OC)c1 ZINC000033008681 556656190 /nfs/dbraw/zinc/65/61/90/556656190.db2.gz HFSRIRFVXQSSEN-UHFFFAOYSA-N 0 0 442.497 3.632 50 0 IHAARN COc1cc(NC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)cc(OC)c1OC ZINC000033008974 556656210 /nfs/dbraw/zinc/65/62/10/556656210.db2.gz NTFONSMXELTJNN-UHFFFAOYSA-N 0 0 439.493 3.804 50 0 IHAARN CN1C[C@H](c2ccccc2F)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000248026334 556657461 /nfs/dbraw/zinc/65/74/61/556657461.db2.gz MIMUXDSTTFGLPT-BAEUJYSMSA-N 0 0 428.463 3.964 50 0 IHAARN COc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)(C)C ZINC000011836781 556659902 /nfs/dbraw/zinc/65/99/02/556659902.db2.gz ZSPUZDIKTURIOM-UHFFFAOYSA-N 0 0 441.933 3.661 50 0 IHAARN C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000017097060 556661115 /nfs/dbraw/zinc/66/11/15/556661115.db2.gz KRVBROQAGHQSQY-HXUWFJFHSA-N 0 0 430.552 3.919 50 0 IHAARN CN(C)c1ccc(NS(=O)(=O)[C@H]2CON(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000248088850 556661506 /nfs/dbraw/zinc/66/15/06/556661506.db2.gz XHXIYZAGMVDEAN-ROUUACIJSA-N 0 0 429.464 3.500 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043727057 556665071 /nfs/dbraw/zinc/66/50/71/556665071.db2.gz IOPQGWWDHDCOJZ-WCIQWLHISA-N 0 0 426.394 3.810 50 0 IHAARN O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)N1CCC2(CC1)OCCO2 ZINC000011865868 556665673 /nfs/dbraw/zinc/66/56/73/556665673.db2.gz NOPABWMYKWZBOX-UHFFFAOYSA-N 0 0 428.432 3.617 50 0 IHAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@H](C)C[C@H](C)C3)N2C1=O ZINC000004598738 556665827 /nfs/dbraw/zinc/66/58/27/556665827.db2.gz HSJZPQWHEUGUNT-QOIOWGMHSA-N 0 0 426.586 3.929 50 0 IHAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000017101586 556666127 /nfs/dbraw/zinc/66/61/27/556666127.db2.gz IEMSRFFKZKNUDN-UHFFFAOYSA-N 0 0 437.569 3.858 50 0 IHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011866916 556666978 /nfs/dbraw/zinc/66/69/78/556666978.db2.gz FZDXWPBMMTUCCU-UQBPGWFLSA-N 0 0 427.541 3.976 50 0 biogenic IHAARN CCN(CC)C(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000013513098 556667229 /nfs/dbraw/zinc/66/72/29/556667229.db2.gz UMJJTGJBXPKDRS-INIZCTEOSA-N 0 0 434.562 3.839 50 0 IHAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc(N)c2c1C ZINC000046581218 556668084 /nfs/dbraw/zinc/66/80/84/556668084.db2.gz REEJXVZQIOTXNH-AWEZNQCLSA-N 0 0 443.598 3.846 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(C)c3)c2=O)cc1 ZINC000017270576 556674236 /nfs/dbraw/zinc/67/42/36/556674236.db2.gz RJPPFUVMDAQYIY-UHFFFAOYSA-N 0 0 434.492 3.995 50 0 IHAARN CCOc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011917143 556674406 /nfs/dbraw/zinc/67/44/06/556674406.db2.gz XPOREFNGKJAOBG-IBGZPJMESA-N 0 0 440.521 3.570 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325389 556679584 /nfs/dbraw/zinc/67/95/84/556679584.db2.gz SIIISKQWSIOFFO-MRXNPFEDSA-N 0 0 449.985 3.597 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325459 556679673 /nfs/dbraw/zinc/67/96/73/556679673.db2.gz SNTSMQGCBIHEPS-OAHLLOKOSA-N 0 0 431.539 3.622 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000238882232 556681958 /nfs/dbraw/zinc/68/19/58/556681958.db2.gz CUWCCCONWHQQCC-FIAZIHOUSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 ZINC000060322914 556685026 /nfs/dbraw/zinc/68/50/26/556685026.db2.gz JYEBETUHGDTHQT-WDEREUQCSA-N 0 0 435.187 3.786 50 0 IHAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)s1 ZINC000033022843 556688358 /nfs/dbraw/zinc/68/83/58/556688358.db2.gz LKFOMDQROAGCJX-UHFFFAOYSA-N 0 0 438.509 3.648 50 0 IHAARN COc1cc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)cc(OC)c1OC ZINC000046141189 556692459 /nfs/dbraw/zinc/69/24/59/556692459.db2.gz KKDIOFPDZFYUDK-OAHLLOKOSA-N 0 0 439.468 3.735 50 0 IHAARN CCc1ccc(C2=NN(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)C(=O)CC2)cc1 ZINC000013543606 556696154 /nfs/dbraw/zinc/69/61/54/556696154.db2.gz WAPUUGRUEIYXLZ-QGZVFWFLSA-N 0 0 435.524 3.614 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3ccc(Br)cn3)C2)cc1OC ZINC000253475203 556697840 /nfs/dbraw/zinc/69/78/40/556697840.db2.gz PWWAXVBTCYYALG-KZJSRBBCSA-N 0 0 433.302 3.554 50 0 IHAARN COC(=O)c1cccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000033025449 556700828 /nfs/dbraw/zinc/70/08/28/556700828.db2.gz KYZYTQOYYJAKKG-UHFFFAOYSA-N 0 0 429.480 3.630 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CCCC2)n3C)c1 ZINC000033025845 556701699 /nfs/dbraw/zinc/70/16/99/556701699.db2.gz CGKNCPQJTKLGOQ-UHFFFAOYSA-N 0 0 434.540 3.748 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1 ZINC000013610339 556702582 /nfs/dbraw/zinc/70/25/82/556702582.db2.gz SNOWOCCGQOLITP-UHFFFAOYSA-N 0 0 430.526 3.608 50 0 IHAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn2ccccc2n1)c1cccs1 ZINC000033028538 556708932 /nfs/dbraw/zinc/70/89/32/556708932.db2.gz VGPRUCGVCNXILA-HXUWFJFHSA-N 0 0 443.532 3.535 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 ZINC000072325952 556723945 /nfs/dbraw/zinc/72/39/45/556723945.db2.gz DEKMYYBWDNWYPT-FQEVSTJZSA-N 0 0 426.538 3.631 50 0 biogenic IHAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2ccccn2)cc1 ZINC000061719610 556725857 /nfs/dbraw/zinc/72/58/57/556725857.db2.gz ZZXPDLFHAQZZQD-XMMPIXPASA-N 0 0 430.508 3.753 50 0 IHAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000061719136 556726036 /nfs/dbraw/zinc/72/60/36/556726036.db2.gz KFCHBMQBDVDPKW-DEOSSOPVSA-N 0 0 444.491 3.859 50 0 IHAARN COc1ccc(CCNC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1OC ZINC000072329076 556726717 /nfs/dbraw/zinc/72/67/17/556726717.db2.gz CVGOIGBEAAVHPQ-UHFFFAOYSA-N 0 0 430.302 3.829 50 0 IHAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000061720968 556728474 /nfs/dbraw/zinc/72/84/74/556728474.db2.gz YJYGIODRRDZROZ-UHFFFAOYSA-N 0 0 443.334 3.566 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000078874706 556735692 /nfs/dbraw/zinc/73/56/92/556735692.db2.gz LYOVPLPVRIMWLW-CALCHBBNSA-N 0 0 442.503 3.531 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N1CCN(Cc2ccccc2F)CC1 ZINC000019317242 556735858 /nfs/dbraw/zinc/73/58/58/556735858.db2.gz GQLQANXHHGLQID-UHFFFAOYSA-N 0 0 445.951 3.701 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2cccc(OC)c2)n1Cc1ccccc1 ZINC000055167793 556736704 /nfs/dbraw/zinc/73/67/04/556736704.db2.gz NWQQHZGIMZLQPL-GOSISDBHSA-N 0 0 427.570 3.927 50 0 IHAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)Cc1ccccc1Cl ZINC000055169133 556736949 /nfs/dbraw/zinc/73/69/49/556736949.db2.gz WJSNXWRFBXEDKS-IBGZPJMESA-N 0 0 437.993 3.531 50 0 IHAARN COC(=O)c1cc(S(=O)(=O)N(Cc2ccc(OC)cc2)c2nccs2)ccc1C ZINC000079001487 556737026 /nfs/dbraw/zinc/73/70/26/556737026.db2.gz PPFUSKFCFRMLIA-UHFFFAOYSA-N 0 0 432.523 3.642 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C3CC3)c(Br)cc2N1 ZINC000079111912 556737795 /nfs/dbraw/zinc/73/77/95/556737795.db2.gz RYKZHLDIADOOQM-IBGZPJMESA-N 0 0 435.343 3.763 50 0 IHAARN Cc1ccc(C2(c3noc(CN(Cc4cccnc4)C[C@@H]4CCC(=O)N4)n3)CCCC2)cc1 ZINC000055226014 556738212 /nfs/dbraw/zinc/73/82/12/556738212.db2.gz GOKDCGUBYNXGAI-QFIPXVFZSA-N 0 0 445.567 3.914 50 0 IHAARN CCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 ZINC000055242732 556738561 /nfs/dbraw/zinc/73/85/61/556738561.db2.gz XFWUMGRBHDSPKI-FQEVSTJZSA-N 0 0 435.634 3.838 50 0 IHAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3nonc3C)CC2)c1 ZINC000055371269 556740846 /nfs/dbraw/zinc/74/08/46/556740846.db2.gz HSBSHJVGEHUEFV-UHFFFAOYSA-N 0 0 430.512 3.562 50 0 IHAARN COc1ccc(Cc2noc(CN3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1OC ZINC000055414695 556741172 /nfs/dbraw/zinc/74/11/72/556741172.db2.gz XJSSTCFEOCUNHC-UHFFFAOYSA-N 0 0 442.947 3.962 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)nc12 ZINC000013810625 556743824 /nfs/dbraw/zinc/74/38/24/556743824.db2.gz DYYCAUHOKVBKBT-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000013854814 556746353 /nfs/dbraw/zinc/74/63/53/556746353.db2.gz HKKVWEVBGXFMHE-UHFFFAOYSA-N 0 0 448.548 3.627 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccccc1Cl ZINC000057487111 556747869 /nfs/dbraw/zinc/74/78/69/556747869.db2.gz YRDFPBZVZNSVJZ-UHFFFAOYSA-N 0 0 436.855 3.904 50 0 IHAARN O=C(N[C@@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cccs1 ZINC000019370958 556748472 /nfs/dbraw/zinc/74/84/72/556748472.db2.gz QQFGIKCNYYIEHW-KRWDZBQOSA-N 0 0 432.804 3.992 50 0 IHAARN COc1ccccc1CN1C(=O)N[C@H](CC(=O)Nc2cccc3c2ccn3CC(C)C)C1=O ZINC000206255279 556749724 /nfs/dbraw/zinc/74/97/24/556749724.db2.gz UWFHLNYCNQPJHY-HXUWFJFHSA-N 0 0 448.523 3.755 50 0 IHAARN O=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000072333362 556749920 /nfs/dbraw/zinc/74/99/20/556749920.db2.gz AMWVZEOJFQGCFA-UHFFFAOYSA-N 0 0 447.838 3.643 50 0 IHAARN CC(=O)c1cc2c(N)c(C(=O)Nc3cc(Cl)ccc3-n3cncn3)sc2nc1C ZINC000057963354 556750118 /nfs/dbraw/zinc/75/01/18/556750118.db2.gz KIJINNYGZPYGAY-UHFFFAOYSA-N 0 0 426.889 3.876 50 0 IHAARN CCc1nc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)sc1C ZINC000058003657 556752158 /nfs/dbraw/zinc/75/21/58/556752158.db2.gz GRHINCSPGVVVTB-UHFFFAOYSA-N 0 0 439.379 3.594 50 0 IHAARN Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)sc1Cc1ccc2c(c1)OCO2 ZINC000058029235 556754824 /nfs/dbraw/zinc/75/48/24/556754824.db2.gz QAQHQXDDRYAMQF-HNNXBMFYSA-N 0 0 429.542 3.747 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccccc1 ZINC000058066699 556756477 /nfs/dbraw/zinc/75/64/77/556756477.db2.gz UEGAEHUQOBBTFO-GOSISDBHSA-N 0 0 441.509 3.650 50 0 IHAARN COc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1OC1CCCC1 ZINC000058090821 556757703 /nfs/dbraw/zinc/75/77/03/556757703.db2.gz XWABYLBDDCQHGL-UHFFFAOYSA-N 0 0 426.517 3.570 50 0 IHAARN O=C1C[C@@]2(CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21 ZINC000096367679 556760299 /nfs/dbraw/zinc/76/02/99/556760299.db2.gz XRZDXAUFMRNBKE-LJQANCHMSA-N 0 0 425.428 3.645 50 0 IHAARN COc1ccc(C(C)=O)cc1COC(=O)C(=Cc1ccco1)n1nnnc1-c1ccccc1 ZINC000096448481 556761202 /nfs/dbraw/zinc/76/12/02/556761202.db2.gz CZMQKDSBBLOTSK-KGENOOAVSA-N 0 0 444.447 3.886 50 0 IHAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000058156404 556762466 /nfs/dbraw/zinc/76/24/66/556762466.db2.gz QKPPYXFWXSXZTH-CRAIPNDOSA-N 0 0 443.997 3.841 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000058159343 556763844 /nfs/dbraw/zinc/76/38/44/556763844.db2.gz CYRFGKKHCYASGZ-QZTJIDSGSA-N 0 0 430.517 3.908 50 0 IHAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N=c1[nH]c3ccccc3[nH]1)COC2=O ZINC000062001700 556764560 /nfs/dbraw/zinc/76/45/60/556764560.db2.gz BEPPIIYURYVUKX-NTEUORMPSA-N 0 0 449.507 3.889 50 0 biogenic IHAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1nnc(C)s1)COC2=O ZINC000062001751 556764564 /nfs/dbraw/zinc/76/45/64/556764564.db2.gz GMPHFBKHWKFKKS-IZZDOVSWSA-N 0 0 431.514 3.750 50 0 biogenic IHAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4c(ccn4CCN4CCOCC4)c3)c12 ZINC000058167132 556767059 /nfs/dbraw/zinc/76/70/59/556767059.db2.gz JIUZBIKITBNFOB-UHFFFAOYSA-N 0 0 445.523 3.948 50 0 IHAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000019471560 556768138 /nfs/dbraw/zinc/76/81/38/556768138.db2.gz LLMLQJKDDMOCQY-INIZCTEOSA-N 0 0 429.519 3.978 50 0 IHAARN O=C(CN(Cc1cccc(O)c1)C1CCC(O)CC1)Nc1ccc(Br)cc1 ZINC000058178133 556769681 /nfs/dbraw/zinc/76/96/81/556769681.db2.gz QZSGQEDORJPDGC-UHFFFAOYSA-N 0 0 433.346 3.899 50 0 IHAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)no1 ZINC000058216215 556772492 /nfs/dbraw/zinc/77/24/92/556772492.db2.gz GDDOLDSJETYJRQ-UHFFFAOYSA-N 0 0 445.508 3.815 50 0 IHAARN NC(=O)CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)cc1 ZINC000058218220 556772921 /nfs/dbraw/zinc/77/29/21/556772921.db2.gz PFQJAXKFDMNTJL-ZRDIBKRKSA-N 0 0 439.924 3.936 50 0 IHAARN Cn1c2nnc(CNC3(c4cccc(Br)c4)CCC3)n2c2ccsc2c1=O ZINC000058231623 556774310 /nfs/dbraw/zinc/77/43/10/556774310.db2.gz SJDZWCCEWCHRFN-UHFFFAOYSA-N 0 0 444.358 3.574 50 0 IHAARN COc1cc(CN(C)C(=O)C(C)(C)n2cc(Br)cn2)ccc1OC(F)F ZINC000058232388 556774339 /nfs/dbraw/zinc/77/43/39/556774339.db2.gz VWFRRCUVOWUZAY-UHFFFAOYSA-N 0 0 432.265 3.649 50 0 IHAARN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000058246508 556775270 /nfs/dbraw/zinc/77/52/70/556775270.db2.gz BUXSEEQTUKJSOJ-GJZGRUSLSA-N 0 0 448.614 3.543 50 0 IHAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000058354905 556782405 /nfs/dbraw/zinc/78/24/05/556782405.db2.gz DEBKBUIFOPSJGZ-VGSWGCGISA-N 0 0 435.568 3.666 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000058406774 556786070 /nfs/dbraw/zinc/78/60/70/556786070.db2.gz VPQDTUYINJQDOS-XJKSGUPXSA-N 0 0 445.441 3.820 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 ZINC000058537708 556789915 /nfs/dbraw/zinc/78/99/15/556789915.db2.gz YUJLDMUIIRYWQD-UHFFFAOYSA-N 0 0 431.471 3.605 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H]4CCCC[C@@H]4C)cc3C2=O)c1 ZINC000011184893 556792234 /nfs/dbraw/zinc/79/22/34/556792234.db2.gz OIGSXDCTTRQHGT-HRAATJIYSA-N 0 0 448.519 3.956 50 0 IHAARN O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCN(c2nccs2)CC1 ZINC000011188434 556792519 /nfs/dbraw/zinc/79/25/19/556792519.db2.gz WDLOQMPCIRTZKW-UHFFFAOYSA-N 0 0 440.529 3.554 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 ZINC000001470222 556792944 /nfs/dbraw/zinc/79/29/44/556792944.db2.gz CGEUSYXCUNWKIR-UHFFFAOYSA-N 0 0 435.929 3.944 50 0 IHAARN CN(C)C(=O)CN(C)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000019537793 556794346 /nfs/dbraw/zinc/79/43/46/556794346.db2.gz ZIJKKVKFMUUQAR-UHFFFAOYSA-N 0 0 436.375 3.559 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000059257908 556796331 /nfs/dbraw/zinc/79/63/31/556796331.db2.gz SANDSQXJJJSHPL-INIZCTEOSA-N 0 0 429.517 3.567 50 0 IHAARN CCN(CC)C(=O)c1ccc(CNC(=O)N(CC)C[C@@H]2COc3ccccc3O2)cc1 ZINC000059301396 556797191 /nfs/dbraw/zinc/79/71/91/556797191.db2.gz OFXAURDXMOGCBD-HXUWFJFHSA-N 0 0 425.529 3.540 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ncccc1C(F)(F)F ZINC000059352669 556798572 /nfs/dbraw/zinc/79/85/72/556798572.db2.gz MXPDRNXAKLTSAO-INIZCTEOSA-N 0 0 442.869 3.737 50 0 IHAARN COc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)c1 ZINC000003194725 556804442 /nfs/dbraw/zinc/80/44/42/556804442.db2.gz JCABPPACFSUEKY-UHFFFAOYSA-N 0 0 434.423 3.743 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)CN(C)Cc2csc(Br)c2)c1 ZINC000060040736 556805973 /nfs/dbraw/zinc/80/59/73/556805973.db2.gz IORLRVIWLLJAHH-LBPRGKRZSA-N 0 0 427.364 3.837 50 0 IHAARN COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c2)c1 ZINC000003285001 556808636 /nfs/dbraw/zinc/80/86/36/556808636.db2.gz RERBGGZKRJAMJB-UHFFFAOYSA-N 0 0 448.500 3.959 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000003305522 556809153 /nfs/dbraw/zinc/80/91/53/556809153.db2.gz OCITXQCYUXANLW-XYOKQWHBSA-N 0 0 448.972 3.853 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc2c1CC[C@H](C)C2 ZINC000003315314 556809742 /nfs/dbraw/zinc/80/97/42/556809742.db2.gz WPWSSEILPQSLFS-AWEZNQCLSA-N 0 0 444.553 3.911 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097944082 556814932 /nfs/dbraw/zinc/81/49/32/556814932.db2.gz GJQXQEZTFHUIGZ-XMMPIXPASA-N 0 0 432.568 3.750 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000003427794 556815251 /nfs/dbraw/zinc/81/52/51/556815251.db2.gz NOBBGDVHWVDACO-UHFFFAOYSA-N 0 0 435.553 3.609 50 0 IHAARN CCOc1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000033061353 556816971 /nfs/dbraw/zinc/81/69/71/556816971.db2.gz CKLZFTMERVCFHY-UHFFFAOYSA-N 0 0 426.498 3.769 50 0 IHAARN COC(=O)c1c(NC(=O)COc2ccc3ccc(=O)oc3c2)sc2c1CCCCC2 ZINC000003512350 556817104 /nfs/dbraw/zinc/81/71/04/556817104.db2.gz VAKGPVHPLXXTQC-UHFFFAOYSA-N 0 0 427.478 3.928 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)NC1CC1 ZINC000003528851 556817379 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IHAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N(CCN1CCOCC1)c1ccccc1 ZINC000062582591 556838453 /nfs/dbraw/zinc/83/84/53/556838453.db2.gz XNGJYAVAZFMVQC-UHFFFAOYSA-N 0 0 448.542 3.869 50 0 IHAARN CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 ZINC000022998477 556841074 /nfs/dbraw/zinc/84/10/74/556841074.db2.gz XHXUVFVWXBUKOP-UHFFFAOYSA-N 0 0 425.554 3.603 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C ZINC000067630870 556845482 /nfs/dbraw/zinc/84/54/82/556845482.db2.gz KYJVZKWTNFAKOA-UHFFFAOYSA-N 0 0 434.883 3.656 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCc1c(C)noc1C ZINC000096803982 556846179 /nfs/dbraw/zinc/84/61/79/556846179.db2.gz WCEGKTMOJSJOKY-QGMBQPNBSA-N 0 0 448.431 3.952 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(F)c3)cc2C1=O ZINC000011220635 556847970 /nfs/dbraw/zinc/84/79/70/556847970.db2.gz PYHUOBQAPBKLHT-UHFFFAOYSA-N 0 0 432.407 3.730 50 0 IHAARN CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000008923319 556851019 /nfs/dbraw/zinc/85/10/19/556851019.db2.gz ADDGMADMMRZRPK-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071376 556851797 /nfs/dbraw/zinc/85/17/97/556851797.db2.gz JICGPPUYQNMEAK-CQSZACIVSA-N 0 0 431.309 3.997 50 0 IHAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCc1ccc(F)cc1 ZINC000033076928 556852904 /nfs/dbraw/zinc/85/29/04/556852904.db2.gz MLGBOSGXUUXIFB-UHFFFAOYSA-N 0 0 429.517 3.613 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1OC ZINC000033078169 556852909 /nfs/dbraw/zinc/85/29/09/556852909.db2.gz ROYBLXGXMUFWQU-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN COc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 ZINC000033087820 556855557 /nfs/dbraw/zinc/85/55/57/556855557.db2.gz MDFFFRQBEIHDKZ-UHFFFAOYSA-N 0 0 445.566 3.533 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3cc(OC)ccc3OC)sc2c1 ZINC000033088202 556856317 /nfs/dbraw/zinc/85/63/17/556856317.db2.gz LIKNWWJKDUJFQZ-AWEZNQCLSA-N 0 0 436.493 3.982 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 ZINC000033088453 556856392 /nfs/dbraw/zinc/85/63/92/556856392.db2.gz UHJJNZPZAAACMX-UHFFFAOYSA-N 0 0 445.357 3.832 50 0 IHAARN CCn1c2ccccc2nc1N1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)OC)CC1 ZINC000033106452 556859215 /nfs/dbraw/zinc/85/92/15/556859215.db2.gz LWVUIJNFECNGDI-UHFFFAOYSA-N 0 0 441.919 3.850 50 0 IHAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1F)NCCCN1CCOCC1 ZINC000033116270 556862109 /nfs/dbraw/zinc/86/21/09/556862109.db2.gz LRDZUAIKGSSSTF-UHFFFAOYSA-N 0 0 427.545 3.839 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)cc1OC ZINC000033128262 556865336 /nfs/dbraw/zinc/86/53/36/556865336.db2.gz HYKIRRSEUVJPRW-OAHLLOKOSA-N 0 0 425.510 3.677 50 0 IHAARN COc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)ccc2=O)cc1 ZINC000033128404 556865617 /nfs/dbraw/zinc/86/56/17/556865617.db2.gz XADHCUYAOYXOFQ-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)Nc1ccc(OC)cc1 ZINC000033125466 556866463 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3.801 50 0 IHAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000033168968 556881258 /nfs/dbraw/zinc/88/12/58/556881258.db2.gz JUUCGFZTMWQSRF-IBGZPJMESA-N 0 0 446.507 3.839 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccccc1C(F)(F)F ZINC000033171857 556882608 /nfs/dbraw/zinc/88/26/08/556882608.db2.gz HSQFQLSNQGNPOY-UHFFFAOYSA-N 0 0 434.443 3.604 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1cc(F)cc(F)c1 ZINC000033171892 556882736 /nfs/dbraw/zinc/88/27/36/556882736.db2.gz LLEYAAXIPKDKMB-UHFFFAOYSA-N 0 0 436.871 3.517 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000033170642 556886075 /nfs/dbraw/zinc/88/60/75/556886075.db2.gz JHZOPMZHMXRIJN-VURMDHGXSA-N 0 0 433.530 3.541 50 0 IHAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000033249269 556889020 /nfs/dbraw/zinc/88/90/20/556889020.db2.gz DFTQFWCCHYKXIB-UHFFFAOYSA-N 0 0 426.563 3.819 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249287 556889035 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IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc(C)n2)c1C ZINC000072117423 556898177 /nfs/dbraw/zinc/89/81/77/556898177.db2.gz DSWRAAJTOZPUHC-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)nc1 ZINC000072139245 556899027 /nfs/dbraw/zinc/89/90/27/556899027.db2.gz ANPZRRTZIMFOFI-UHFFFAOYSA-N 0 0 426.883 3.679 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262245 556901877 /nfs/dbraw/zinc/90/18/77/556901877.db2.gz FQISYDSXXKQGJT-QGZVFWFLSA-N 0 0 442.541 3.833 50 0 IHAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCCCOC(C)C)n4ccn3n2)cc1C ZINC000033262363 556902089 /nfs/dbraw/zinc/90/20/89/556902089.db2.gz LOQQCFOTOZOOTL-UHFFFAOYSA-N 0 0 434.544 3.525 50 0 IHAARN O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000206680462 556912176 /nfs/dbraw/zinc/91/21/76/556912176.db2.gz PUEAETJINSJSIG-UHFFFAOYSA-N 0 0 438.383 3.726 50 0 IHAARN CN1CCN(Cc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000019802460 556917702 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CC(=O)c1cc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000019939020 556953017 /nfs/dbraw/zinc/95/30/17/556953017.db2.gz PTRGUEZQEVYGLQ-FQEVSTJZSA-N 0 0 440.613 3.687 50 0 IHAARN COc1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 ZINC000020001767 556957424 /nfs/dbraw/zinc/95/74/24/556957424.db2.gz PCKWUDKLAZIYGT-UHFFFAOYSA-N 0 0 441.505 3.524 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000020002041 556957703 /nfs/dbraw/zinc/95/77/03/556957703.db2.gz SQUKZKTYJAQVML-CYBMUJFWSA-N 0 0 426.420 3.548 50 0 IHAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC)c(OC)c3)c2)C1 ZINC000033264060 556972139 /nfs/dbraw/zinc/97/21/39/556972139.db2.gz DZVWOTUAMCEERP-FQEVSTJZSA-N 0 0 425.529 3.543 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000072442251 556973337 /nfs/dbraw/zinc/97/33/37/556973337.db2.gz MPQSWDNKKOEQEW-UHFFFAOYSA-N 0 0 434.466 3.840 50 0 IHAARN Cc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)NC3CCCC3)c2)o1 ZINC000033265022 556974880 /nfs/dbraw/zinc/97/48/80/556974880.db2.gz RVEXJDXPHIIVLP-UHFFFAOYSA-N 0 0 438.553 3.855 50 0 IHAARN Cc1cc(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000020056335 556975011 /nfs/dbraw/zinc/97/50/11/556975011.db2.gz MRBVLPFDPDJSOM-INIZCTEOSA-N 0 0 446.619 3.913 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2cn(C)nc2c(=O)n1CCC(C)C ZINC000033265336 556975597 /nfs/dbraw/zinc/97/55/97/556975597.db2.gz XQWOZNIVGZNTAM-UHFFFAOYSA-N 0 0 433.965 3.869 50 0 IHAARN COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3C2=O)cc1 ZINC000020095912 556979763 /nfs/dbraw/zinc/97/97/63/556979763.db2.gz YYGXNLNTZNYKMC-UHFFFAOYSA-N 0 0 430.416 3.535 50 0 IHAARN O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 ZINC000020103490 556981027 /nfs/dbraw/zinc/98/10/27/556981027.db2.gz IRUSARGJGGKHKR-LIRRHRJNSA-N 0 0 442.878 3.924 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033268618 556985321 /nfs/dbraw/zinc/98/53/21/556985321.db2.gz LBHAATFTNDIMDJ-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000097137048 556991697 /nfs/dbraw/zinc/99/16/97/556991697.db2.gz HNRNPJHQLRUIRY-GOSISDBHSA-N 0 0 434.521 3.743 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1NC(C)=O ZINC000010672192 556993087 /nfs/dbraw/zinc/99/30/87/556993087.db2.gz XMXVKOHLVQHPGG-UHFFFAOYSA-N 0 0 430.570 3.996 50 0 IHAARN CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000010672859 556993361 /nfs/dbraw/zinc/99/33/61/556993361.db2.gz WNWYUWZZMIACNV-UHFFFAOYSA-N 0 0 442.537 3.906 50 0 IHAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCN(c2nccs2)CC1 ZINC000010674271 556993699 /nfs/dbraw/zinc/99/36/99/556993699.db2.gz YMHMEEFGXBRLEJ-UHFFFAOYSA-N 0 0 430.755 3.595 50 0 IHAARN CCOC(=O)c1nc(C)n(C)c1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000097162859 556993985 /nfs/dbraw/zinc/99/39/85/556993985.db2.gz DFCFQVMKEBRWCX-UHFFFAOYSA-N 0 0 446.301 3.838 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)cc1 ZINC000076954682 556995017 /nfs/dbraw/zinc/99/50/17/556995017.db2.gz VBIOMESDJQWKCU-MRXNPFEDSA-N 0 0 426.513 3.585 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)c2c1 ZINC000020177504 556995784 /nfs/dbraw/zinc/99/57/84/556995784.db2.gz SYBNDMKKJHHBSX-UHFFFAOYSA-N 0 0 449.551 3.565 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)c(C)n1C ZINC000011247407 556999604 /nfs/dbraw/zinc/99/96/04/556999604.db2.gz BWMHYGCOPSBCFB-UHFFFAOYSA-N 0 0 434.279 3.534 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994316 557003163 /nfs/dbraw/zinc/00/31/63/557003163.db2.gz KLZLWEYMTDZWFN-XSFVSMFZSA-N 0 0 444.451 3.537 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(Cl)cc1)CN(C)CC3 ZINC000020332191 557008487 /nfs/dbraw/zinc/00/84/87/557008487.db2.gz NWBJHPNCYATEIB-UHFFFAOYSA-N 0 0 449.001 3.850 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036311518 557009262 /nfs/dbraw/zinc/00/92/62/557009262.db2.gz YPQJRLIHWPVDOY-XMMPIXPASA-N 0 0 435.568 3.959 50 0 IHAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)c(=O)n(-c3ccccc3)c2n1 ZINC000020353566 557009462 /nfs/dbraw/zinc/00/94/62/557009462.db2.gz OPVQLGYRDQFTGL-UHFFFAOYSA-N 0 0 448.910 3.765 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000020356798 557010795 /nfs/dbraw/zinc/01/07/95/557010795.db2.gz LRGBTCGIDJBQFQ-UFXRLHEYSA-N 0 0 437.587 3.530 50 0 IHAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000098000753 557011860 /nfs/dbraw/zinc/01/18/60/557011860.db2.gz KHLJPVFVGZYEDY-KXFIGUGUSA-N 0 0 438.911 3.745 50 0 IHAARN O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020387901 557012379 /nfs/dbraw/zinc/01/23/79/557012379.db2.gz DDCAZCDBBKASJR-UHFFFAOYSA-N 0 0 425.539 3.689 50 0 IHAARN Cc1ccccc1Cn1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)n1 ZINC000020418691 557014787 /nfs/dbraw/zinc/01/47/87/557014787.db2.gz WNMWPYNIUPNEGG-UHFFFAOYSA-N 0 0 446.463 3.779 50 0 IHAARN Cc1nn(CCC(=O)Nc2cc(Cl)ccc2C)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998050 557015483 /nfs/dbraw/zinc/01/54/83/557015483.db2.gz KDPMROZQDPYMMV-UHFFFAOYSA-N 0 0 438.981 3.665 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000010701488 557019688 /nfs/dbraw/zinc/01/96/88/557019688.db2.gz NFPKRJLQTMUERW-UHFFFAOYSA-N 0 0 432.524 3.840 50 0 IHAARN CCn1c2ccc(NS(=O)(=O)c3ccc(Br)cc3C)cc2sc1=O ZINC000046017470 557020483 /nfs/dbraw/zinc/02/04/83/557020483.db2.gz SAYFEDABHPJLQM-UHFFFAOYSA-N 0 0 427.345 3.955 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)cc1Cl ZINC000032943902 557021591 /nfs/dbraw/zinc/02/15/91/557021591.db2.gz LABMIVJGHAIKID-LLVKDONJSA-N 0 0 426.947 3.997 50 0 IHAARN C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)NCCCc3ccccc3)ccc2S1 ZINC000032944031 557022713 /nfs/dbraw/zinc/02/27/13/557022713.db2.gz IKYPRLUNPMHJFZ-MRXNPFEDSA-N 0 0 430.595 3.835 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@H]3CCCN(C(C)=O)C3)n2)cc1 ZINC000010744971 557023517 /nfs/dbraw/zinc/02/35/17/557023517.db2.gz FZHHNBWFCDULLB-KDOFPFPSSA-N 0 0 429.542 3.501 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000023142846 557025072 /nfs/dbraw/zinc/02/50/72/557025072.db2.gz BJGZYVUEGRAIHZ-SFHVURJKSA-N 0 0 434.471 3.544 50 0 IHAARN CC(C)n1cnc2nc(CSc3ccc(NC(=O)Cc4ccccc4)cc3)cc(=O)n21 ZINC000021797772 557026375 /nfs/dbraw/zinc/02/63/75/557026375.db2.gz DFQVPNPVPQXHTC-UHFFFAOYSA-N 0 0 433.537 3.945 50 0 IHAARN COc1ccc2cc(COC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)c(Cl)nc2c1 ZINC000021742488 557026584 /nfs/dbraw/zinc/02/65/84/557026584.db2.gz UEESUPMBCDIAGQ-UHFFFAOYSA-N 0 0 448.928 3.535 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000010785980 557026713 /nfs/dbraw/zinc/02/67/13/557026713.db2.gz PEOPHBDIKNQMJP-UHFFFAOYSA-N 0 0 433.480 3.832 50 0 IHAARN O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000010790797 557026745 /nfs/dbraw/zinc/02/67/45/557026745.db2.gz RHRCPOBWSMUWEX-UHFFFAOYSA-N 0 0 443.908 3.858 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC=C(c3c(C)n(C)c4ccccc43)CC2)cc1OC ZINC000009612124 557027625 /nfs/dbraw/zinc/02/76/25/557027625.db2.gz WFSYWUNCYBLVNG-UHFFFAOYSA-N 0 0 426.538 3.982 50 0 IHAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023157191 557029723 /nfs/dbraw/zinc/02/97/23/557029723.db2.gz AKELTRMTGRSHDJ-SFHVURJKSA-N 0 0 428.558 3.857 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCCc3ccccc3)[nH]c(=O)c21 ZINC000046074339 557030698 /nfs/dbraw/zinc/03/06/98/557030698.db2.gz DUMUTIAOMNCLGB-KRWDZBQOSA-N 0 0 448.548 3.732 50 0 IHAARN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000023157991 557030857 /nfs/dbraw/zinc/03/08/57/557030857.db2.gz IAPCCGCKECZCOG-FHSNZYRGSA-N 0 0 446.573 3.898 50 0 IHAARN COC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000046086012 557035628 /nfs/dbraw/zinc/03/56/28/557035628.db2.gz ZLQLADVMVWJUAU-RTBURBONSA-N 0 0 436.618 3.540 50 0 IHAARN CNC(=O)c1cc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc12 ZINC000046081344 557035633 /nfs/dbraw/zinc/03/56/33/557035633.db2.gz SPTVJOWECOKXKR-UHFFFAOYSA-N 0 0 437.805 3.672 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000017190416 557035742 /nfs/dbraw/zinc/03/57/42/557035742.db2.gz SVXLDMHRMNIJPT-HXUWFJFHSA-N 0 0 435.549 3.770 50 0 IHAARN COc1ccccc1C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122597 557036185 /nfs/dbraw/zinc/03/61/85/557036185.db2.gz USNGYBHBSQJRIB-CQSZACIVSA-N 0 0 440.500 3.958 50 0 IHAARN O=C(Cc1cccs1)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122613 557036276 /nfs/dbraw/zinc/03/62/76/557036276.db2.gz WPRXYGNTGZOEDK-CYBMUJFWSA-N 0 0 430.530 3.940 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1cccnc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243768 557043713 /nfs/dbraw/zinc/04/37/13/557043713.db2.gz AABQRDVUPBHVIZ-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(Br)o3)ccc21 ZINC000017286860 557044860 /nfs/dbraw/zinc/04/48/60/557044860.db2.gz PTQXAUHJEHWDHF-UHFFFAOYSA-N 0 0 427.320 3.787 50 0 IHAARN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1Br ZINC000017287756 557045241 /nfs/dbraw/zinc/04/52/41/557045241.db2.gz DUABKQMTQGLRPE-FQEVSTJZSA-N 0 0 432.362 3.929 50 0 IHAARN O=c1nc(CN[C@@H](CN2CCOCC2)c2ccccc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000022930147 557049744 /nfs/dbraw/zinc/04/97/44/557049744.db2.gz JJAZLVYDYNCLRY-NRFANRHFSA-N 0 0 446.576 3.815 50 0 IHAARN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 ZINC000017305844 557052422 /nfs/dbraw/zinc/05/24/22/557052422.db2.gz BXEDEPVVCNXHBZ-OAHLLOKOSA-N 0 0 428.334 3.970 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033272905 557052859 /nfs/dbraw/zinc/05/28/59/557052859.db2.gz MTZFOIGSVUOPCX-UHFFFAOYSA-N 0 0 436.537 3.884 50 0 IHAARN Cc1cc2[nH]c(C(=O)OCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc2c(C)c1 ZINC000048287691 557053143 /nfs/dbraw/zinc/05/31/43/557053143.db2.gz JBCOSVIRKMRUCB-UHFFFAOYSA-N 0 0 440.521 3.537 50 0 IHAARN CCCc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2CC)cc1 ZINC000033275851 557055422 /nfs/dbraw/zinc/05/54/22/557055422.db2.gz JOVNQRZDDFTYKO-UHFFFAOYSA-N 0 0 442.585 3.531 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000023039848 557058683 /nfs/dbraw/zinc/05/86/83/557058683.db2.gz SDGWAAAXLOXBMK-UHFFFAOYSA-N 0 0 440.521 3.547 50 0 IHAARN Cc1nc2n(c1CCNc1nc(CN3CCOCC3)nc3sc(C)c(C)c31)CCCC2 ZINC000048303304 557058736 /nfs/dbraw/zinc/05/87/36/557058736.db2.gz HVBXEXWHBFBQRH-UHFFFAOYSA-N 0 0 440.617 3.636 50 0 IHAARN CCNC(=O)COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC ZINC000048311586 557061296 /nfs/dbraw/zinc/06/12/96/557061296.db2.gz QIRYTFGFDBOMRA-DNQXCXABSA-N 0 0 440.540 3.587 50 0 IHAARN CCOCCCN(C(=O)COc1ccc(Br)cc1)C1=NC(C)(C)CS1 ZINC000048311781 557061322 /nfs/dbraw/zinc/06/13/22/557061322.db2.gz KYRAJRUBUVAMRI-UHFFFAOYSA-N 0 0 429.380 3.965 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000048300213 557062053 /nfs/dbraw/zinc/06/20/53/557062053.db2.gz GPQZYPONZZMNAF-OAHLLOKOSA-N 0 0 442.484 3.989 50 0 IHAARN COc1ccc(C(=O)NCCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000048301036 557062703 /nfs/dbraw/zinc/06/27/03/557062703.db2.gz NCEQOYNSYDNEDL-UHFFFAOYSA-N 0 0 440.503 3.708 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3cccc(Cl)c3)n(C)c(=O)c1n2C ZINC000033287624 557064948 /nfs/dbraw/zinc/06/49/48/557064948.db2.gz IATPKRZOCUOORJ-UHFFFAOYSA-N 0 0 442.928 3.818 50 0 IHAARN COc1cc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(OC)cc1NC(=O)c1ccccc1 ZINC000023123572 557065198 /nfs/dbraw/zinc/06/51/98/557065198.db2.gz RGLCVXDCMXQNBU-JOCHJYFZSA-N 0 0 446.459 3.676 50 0 IHAARN CCN(CCn1cccn1)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000023128442 557065970 /nfs/dbraw/zinc/06/59/70/557065970.db2.gz FZUUGSPFLMEWEJ-UHFFFAOYSA-N 0 0 444.583 3.676 50 0 IHAARN Cc1cc2nnc(SCC(=O)N3CCN(Cc4cccs4)CC3)n2c2ccccc12 ZINC000048326349 557068650 /nfs/dbraw/zinc/06/86/50/557068650.db2.gz FCRQPAWSMCJLSS-UHFFFAOYSA-N 0 0 437.594 3.689 50 0 IHAARN CC[C@@](C)(CNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)N1CCOCC1 ZINC000048331648 557069552 /nfs/dbraw/zinc/06/95/52/557069552.db2.gz MSCZPEXEYAZSBI-DEOSSOPVSA-N 0 0 440.544 3.570 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)cc1Cl ZINC000033300005 557078602 /nfs/dbraw/zinc/07/86/02/557078602.db2.gz MELVOXIRLVSFLX-UHFFFAOYSA-N 0 0 426.885 3.821 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000023266449 557081208 /nfs/dbraw/zinc/08/12/08/557081208.db2.gz LTLWFIFFYDVNEJ-INIZCTEOSA-N 0 0 430.545 3.824 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(Cl)cc3)c2c1=O ZINC000048987186 557082503 /nfs/dbraw/zinc/08/25/03/557082503.db2.gz FXMZRBHLCXBYIQ-UHFFFAOYSA-N 0 0 436.899 3.804 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 ZINC000048990615 557084007 /nfs/dbraw/zinc/08/40/07/557084007.db2.gz WGSSEAPMSVSBIH-IBGZPJMESA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000049005906 557084611 /nfs/dbraw/zinc/08/46/11/557084611.db2.gz DSTYEVNOTQAMEF-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000049006400 557085048 /nfs/dbraw/zinc/08/50/48/557085048.db2.gz BNTULVMBZFLWEE-UHFFFAOYSA-N 0 0 431.196 3.990 50 0 IHAARN Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049007642 557086045 /nfs/dbraw/zinc/08/60/45/557086045.db2.gz HNWUMQKPOGUXFY-UHFFFAOYSA-N 0 0 433.459 3.769 50 0 IHAARN CCCCN1CCN(S(=O)(=O)c2ccccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000033307182 557086449 /nfs/dbraw/zinc/08/64/49/557086449.db2.gz OOAXOAFPUUGNHY-UHFFFAOYSA-N 0 0 444.532 3.649 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)cc1 ZINC000049009235 557087183 /nfs/dbraw/zinc/08/71/83/557087183.db2.gz QZNSVZNXCPGQBJ-UHFFFAOYSA-N 0 0 433.537 3.945 50 0 IHAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)NCc1ccc(F)cc1 ZINC000033308005 557087203 /nfs/dbraw/zinc/08/72/03/557087203.db2.gz MPOFPCIDVXPZDW-UHFFFAOYSA-N 0 0 437.500 3.564 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)N3CCC(C)CC3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 ZINC000049002238 557089930 /nfs/dbraw/zinc/08/99/30/557089930.db2.gz NMAFILFRTRUMLS-UHFFFAOYSA-N 0 0 446.551 3.833 50 0 IHAARN O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000033309039 557090057 /nfs/dbraw/zinc/09/00/57/557090057.db2.gz RYXRUQITIGLJOW-UHFFFAOYSA-N 0 0 448.241 3.768 50 0 IHAARN COc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023411315 557091298 /nfs/dbraw/zinc/09/12/98/557091298.db2.gz FKNHFCUMTDBMPI-FQEVSTJZSA-N 0 0 427.464 3.557 50 0 IHAARN COc1cccc(-c2noc(CCn3nc(-c4ccc(Cl)cc4)ccc3=O)n2)c1OC ZINC000033309655 557092373 /nfs/dbraw/zinc/09/23/73/557092373.db2.gz FOEWXXMYSFRQTA-UHFFFAOYSA-N 0 0 438.871 3.874 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000023441657 557092468 /nfs/dbraw/zinc/09/24/68/557092468.db2.gz UPSOKTSOUDCJTK-RUZDIDTESA-N 0 0 445.538 3.511 50 0 IHAARN O=C(Cn1nc2c(Sc3ccccc3)nccn2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000033309413 557092974 /nfs/dbraw/zinc/09/29/74/557092974.db2.gz GSWNHLWAAPXNJH-UHFFFAOYSA-N 0 0 445.426 3.700 50 0 IHAARN COc1ccc(CC(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000033310347 557093870 /nfs/dbraw/zinc/09/38/70/557093870.db2.gz FGHMVTMKGOEAQU-UHFFFAOYSA-N 0 0 436.552 3.791 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCS1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049403702 557099625 /nfs/dbraw/zinc/09/96/25/557099625.db2.gz ZFZDHMUBCWPKAP-UHFFFAOYSA-N 0 0 440.956 3.508 50 0 IHAARN COc1cccc(-c2cc(=O)n(CC(=O)Nc3ccccc3Br)c(C)n2)c1 ZINC000049404734 557099908 /nfs/dbraw/zinc/09/99/08/557099908.db2.gz WUPUEOLRDDSOHE-UHFFFAOYSA-N 0 0 428.286 3.629 50 0 IHAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000023593566 557100177 /nfs/dbraw/zinc/10/01/77/557100177.db2.gz OHNVSINYOFTSMJ-UHFFFAOYSA-N 0 0 436.505 3.515 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1ccc2ccccc2c1 ZINC000049406073 557101241 /nfs/dbraw/zinc/10/12/41/557101241.db2.gz VFWSJHJIDCQHRJ-UHFFFAOYSA-N 0 0 443.482 3.594 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621487 557102933 /nfs/dbraw/zinc/10/29/33/557102933.db2.gz FHYITJUPSYZWNH-GOSISDBHSA-N 0 0 443.519 3.504 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3cccc(OC)c3)c3cccc(F)c3)cn21 ZINC000049408502 557103383 /nfs/dbraw/zinc/10/33/83/557103383.db2.gz FEOJKYOUWDCPCX-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000049411524 557106662 /nfs/dbraw/zinc/10/66/62/557106662.db2.gz BEYCDFWYSZVBDV-UHFFFAOYSA-N 0 0 446.891 3.613 50 0 IHAARN CCc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000049411552 557106872 /nfs/dbraw/zinc/10/68/72/557106872.db2.gz IXMBXHJEDOMDIB-UHFFFAOYSA-N 0 0 440.500 3.522 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421050 557107501 /nfs/dbraw/zinc/10/75/01/557107501.db2.gz FEPYSBSYGRMNNP-ZDUSSCGKSA-N 0 0 428.533 3.922 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)C1 ZINC000049421541 557108032 /nfs/dbraw/zinc/10/80/32/557108032.db2.gz JXJWNUYMBBNJTQ-HZPDHXFCSA-N 0 0 428.529 3.993 50 0 IHAARN O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000049483655 557109844 /nfs/dbraw/zinc/10/98/44/557109844.db2.gz UNLCXPRNTUGODD-UHFFFAOYSA-N 0 0 437.809 3.842 50 0 IHAARN CCOc1ccc(Nc2ncccc2C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000011360440 557110572 /nfs/dbraw/zinc/11/05/72/557110572.db2.gz GLBRAIDLODATEI-UHFFFAOYSA-N 0 0 440.525 3.525 50 0 IHAARN COc1ccc(CN2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1F ZINC000023738434 557112301 /nfs/dbraw/zinc/11/23/01/557112301.db2.gz FJXPWPAAGDUPRJ-UHFFFAOYSA-N 0 0 430.568 3.581 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1c(F)cccc1F ZINC000049549419 557112738 /nfs/dbraw/zinc/11/27/38/557112738.db2.gz NBOOUZSNKGUTAG-CYBMUJFWSA-N 0 0 430.432 3.561 50 0 IHAARN CC(=O)Nc1ccc2c(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc(=O)oc2c1 ZINC000049579239 557113820 /nfs/dbraw/zinc/11/38/20/557113820.db2.gz ZWIGIIXAKTZDQX-UHFFFAOYSA-N 0 0 431.231 3.854 50 0 IHAARN COC(=O)c1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)c[nH]2)cc(C(=O)OC)c1 ZINC000017749718 557115700 /nfs/dbraw/zinc/11/57/00/557115700.db2.gz UCEZAOZKTBCIQB-UHFFFAOYSA-N 0 0 443.456 3.520 50 0 IHAARN O=c1c2ccccc2nc2n1CC/C2=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049581397 557116677 /nfs/dbraw/zinc/11/66/77/557116677.db2.gz ZSVVFKVTZSUZOX-NXVVXOECSA-N 0 0 426.442 3.982 50 0 IHAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)C)C2=O)cc1 ZINC000010930817 557117683 /nfs/dbraw/zinc/11/76/83/557117683.db2.gz IXQCNKRIAJHQNZ-NZQKXSOJSA-N 0 0 427.570 3.981 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N(C)Cc3cccs3)nc3ccccc3c2=O)nc1 ZINC000049649959 557117685 /nfs/dbraw/zinc/11/76/85/557117685.db2.gz NPLRRSRLWDMTQR-UHFFFAOYSA-N 0 0 436.562 3.901 50 0 IHAARN CN(CCOc1ccc(Br)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000023805959 557117728 /nfs/dbraw/zinc/11/77/28/557117728.db2.gz NBZOMSIWMMQWCM-UHFFFAOYSA-N 0 0 434.359 3.747 50 0 IHAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000023818856 557118761 /nfs/dbraw/zinc/11/87/61/557118761.db2.gz YORSLBDKSZLRGG-ZDUSSCGKSA-N 0 0 446.882 3.648 50 0 IHAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000023822537 557119351 /nfs/dbraw/zinc/11/93/51/557119351.db2.gz YQDKLWZMHLEYFZ-NRFANRHFSA-N 0 0 427.548 3.739 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1Cl ZINC000001173902 557119744 /nfs/dbraw/zinc/11/97/44/557119744.db2.gz GMVGYXCKNNWGEC-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN O=C(c1cccnc1N1CCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023845375 557119929 /nfs/dbraw/zinc/11/99/29/557119929.db2.gz ATGCZAIJPIIMFI-UHFFFAOYSA-N 0 0 439.869 3.711 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 ZINC000085823511 557120240 /nfs/dbraw/zinc/12/02/40/557120240.db2.gz SIKDNANIJKNKPT-QHCPKHFHSA-N 0 0 425.960 3.568 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004790224 557120640 /nfs/dbraw/zinc/12/06/40/557120640.db2.gz GJLWWKNVFFFCCH-IPJUCJBFSA-N 0 0 439.581 3.695 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1ccccc1C(F)(F)F ZINC000000629027 557122347 /nfs/dbraw/zinc/12/23/47/557122347.db2.gz FWJPLOPVAVJJMB-IFXJQAMLSA-N 0 0 439.430 3.835 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)c2O1 ZINC000023882984 557123413 /nfs/dbraw/zinc/12/34/13/557123413.db2.gz CCGBQUIGHBGCAW-UHFFFAOYSA-N 0 0 437.565 3.733 50 0 IHAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)cc1 ZINC000098087222 557123845 /nfs/dbraw/zinc/12/38/45/557123845.db2.gz QMOIRHXNYJDLGR-QGZVFWFLSA-N 0 0 448.595 3.617 50 0 IHAARN Cc1nc(COc2ccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2)cs1 ZINC000023883519 557123924 /nfs/dbraw/zinc/12/39/24/557123924.db2.gz QOPMCIWXCIEYRK-HSZRJFAPSA-N 0 0 437.565 3.834 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000017828577 557124829 /nfs/dbraw/zinc/12/48/29/557124829.db2.gz CMUVCPNBPSHVAR-UHFFFAOYSA-N 0 0 441.484 3.512 50 0 IHAARN C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccs1 ZINC000017842227 557125598 /nfs/dbraw/zinc/12/55/98/557125598.db2.gz QDLWTRBIJBLBDR-AWEZNQCLSA-N 0 0 436.580 3.891 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccco3)s2)c(C)c1 ZINC000206686437 557126667 /nfs/dbraw/zinc/12/66/67/557126667.db2.gz ALKHOIMNVKABLV-HXUWFJFHSA-N 0 0 434.539 3.558 50 0 IHAARN O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000023936990 557126823 /nfs/dbraw/zinc/12/68/23/557126823.db2.gz GSGVTVYITHTMPZ-NRFANRHFSA-N 0 0 431.517 3.644 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1C ZINC000023990182 557130156 /nfs/dbraw/zinc/13/01/56/557130156.db2.gz DFWLROPKLZZGBC-ZDUSSCGKSA-N 0 0 439.541 3.603 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)cc1 ZINC000023994178 557130657 /nfs/dbraw/zinc/13/06/57/557130657.db2.gz IZAKVMYVZZRKJJ-LJQANCHMSA-N 0 0 439.375 3.573 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCOCC2)cc1 ZINC000023995203 557130857 /nfs/dbraw/zinc/13/08/57/557130857.db2.gz XKPDFUTWFGUIMG-LJQANCHMSA-N 0 0 443.594 3.992 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023995201 557130905 /nfs/dbraw/zinc/13/09/05/557130905.db2.gz DNJNCEATZZMMNA-UHFFFAOYSA-N 0 0 425.579 3.693 50 0 IHAARN COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000024001946 557131230 /nfs/dbraw/zinc/13/12/30/557131230.db2.gz AZMDBVGIEQBQCP-UHFFFAOYSA-N 0 0 428.554 3.602 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000000669437 557131890 /nfs/dbraw/zinc/13/18/90/557131890.db2.gz UPKSLQMJDYCHOU-JTQLQIEISA-N 0 0 426.252 3.973 50 0 IHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000024748020 557132866 /nfs/dbraw/zinc/13/28/66/557132866.db2.gz XHVJPIRBHQPAMB-UHFFFAOYSA-N 0 0 435.505 3.867 50 0 IHAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 ZINC000000706243 557139942 /nfs/dbraw/zinc/13/99/42/557139942.db2.gz XSCQSEUYQUNHOC-ZCOIRKDISA-N 0 0 425.484 3.628 50 0 IHAARN COCCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000024193002 557140387 /nfs/dbraw/zinc/14/03/87/557140387.db2.gz 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Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000024809726 557149589 /nfs/dbraw/zinc/14/95/89/557149589.db2.gz LSFZIRLLFKZIDJ-UHFFFAOYSA-N 0 0 433.386 3.656 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000024538310 557150772 /nfs/dbraw/zinc/15/07/72/557150772.db2.gz ZOHJVYSTQXWYRC-SJLPKXTDSA-N 0 0 432.952 3.926 50 0 IHAARN CCOc1cc([C@H]2NC(=S)N=C(c3ccc(Cl)cc3)C2C(=O)OC)ccc1OC ZINC000016424918 557151149 /nfs/dbraw/zinc/15/11/49/557151149.db2.gz ZBCLQACIDAPSPS-LJQANCHMSA-N 0 0 432.929 3.850 50 0 IHAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000024553381 557151140 /nfs/dbraw/zinc/15/11/40/557151140.db2.gz KYRWWJJUHRMAEZ-IBGZPJMESA-N 0 0 428.916 3.916 50 0 IHAARN Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3-c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000000720380 557152427 /nfs/dbraw/zinc/15/24/27/557152427.db2.gz IDSSUCOZIJMLNB-UHFFFAOYSA-N 0 0 440.290 3.649 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000011493562 557153344 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COc1cc(CN(C)Cc2nn3c(nc(C)cc3=O)s2)ccc1OCc1ccccc1 ZINC000024732125 557161008 /nfs/dbraw/zinc/16/10/08/557161008.db2.gz RFLHVQLQZMQEQI-UHFFFAOYSA-N 0 0 436.537 3.679 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000024749090 557161967 /nfs/dbraw/zinc/16/19/67/557161967.db2.gz CVSVJBRNOZZXIE-ICSVULDUSA-N 0 0 448.611 3.905 50 0 IHAARN COc1cc(OC)c(CCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c(OC)c1 ZINC000206773084 557162029 /nfs/dbraw/zinc/16/20/29/557162029.db2.gz OOWSCDUINMJTRK-INIZCTEOSA-N 0 0 439.512 3.571 50 0 IHAARN Cc1nc2c(cc(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c3ccsc32)s1 ZINC000024749618 557162071 /nfs/dbraw/zinc/16/20/71/557162071.db2.gz AYMJWOVVPPAZCD-UHFFFAOYSA-N 0 0 439.561 3.991 50 0 IHAARN Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cnn1-c1ccccc1C(F)(F)F ZINC000024750608 557162255 /nfs/dbraw/zinc/16/22/55/557162255.db2.gz YHMQITVQSQHQFL-UHFFFAOYSA-N 0 0 447.442 3.770 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000011549044 557162423 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ZINC000011556773 557183924 /nfs/dbraw/zinc/18/39/24/557183924.db2.gz HEXKIRYXEOOPIE-UHFFFAOYSA-N 0 0 440.565 3.870 50 0 IHAARN CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C ZINC000024977932 557184977 /nfs/dbraw/zinc/18/49/77/557184977.db2.gz NWKHEJQYBZEKFK-INIZCTEOSA-N 0 0 442.585 3.561 50 0 IHAARN CCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100821214 557188212 /nfs/dbraw/zinc/18/82/12/557188212.db2.gz IMJJCKJWVQWMFJ-DQRAZIAOSA-N 0 0 429.567 3.638 50 0 IHAARN COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 ZINC000098003220 557189192 /nfs/dbraw/zinc/18/91/92/557189192.db2.gz TZHVGXBYOKUJRA-STZPCZCHSA-N 0 0 441.531 3.938 50 0 IHAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)c1 ZINC000025036894 557190014 /nfs/dbraw/zinc/19/00/14/557190014.db2.gz OVUBRSQLPSWVLX-HSZRJFAPSA-N 0 0 448.548 3.689 50 0 IHAARN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccc(C)cc1 ZINC000009582772 557190298 /nfs/dbraw/zinc/19/02/98/557190298.db2.gz 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CC(C)CNC(=O)CN1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000025175617 557198683 /nfs/dbraw/zinc/19/86/83/557198683.db2.gz GMQXFBDYKIADRG-UHFFFAOYSA-N 0 0 440.535 3.719 50 0 IHAARN CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791244 557198910 /nfs/dbraw/zinc/19/89/10/557198910.db2.gz SEMDPWIKESWLTE-GXTWGEPZSA-N 0 0 443.525 3.930 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc(S(=O)(=O)N(C)C)c1C ZINC000010979675 557199823 /nfs/dbraw/zinc/19/98/23/557199823.db2.gz QCSCCUNYZAYQPG-UHFFFAOYSA-N 0 0 430.448 3.747 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000010979965 557200113 /nfs/dbraw/zinc/20/01/13/557200113.db2.gz ODNTZUBHROXVKK-UHFFFAOYSA-N 0 0 436.839 3.588 50 0 IHAARN COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@@H]2CCO)c(C)c1C ZINC000096838238 557205616 /nfs/dbraw/zinc/20/56/16/557205616.db2.gz VHAXPWYWYZNKBM-FQEVSTJZSA-N 0 0 425.598 3.991 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1cc(F)ccc1F ZINC000010176407 557208229 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557255528 /nfs/dbraw/zinc/25/55/28/557255528.db2.gz PZOGVPMEFXPCQA-VCHYOVAHSA-N 0 0 429.328 3.870 50 0 IHAARN COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000027022188 557255544 /nfs/dbraw/zinc/25/55/44/557255544.db2.gz QKZTUEHQYNUDCR-VXGMZCCXSA-N 0 0 440.322 3.640 50 0 IHAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000101160945 557257354 /nfs/dbraw/zinc/25/73/54/557257354.db2.gz KCSFCAVJLPMPJD-UHFFFAOYSA-N 0 0 444.944 3.951 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027131522 557257548 /nfs/dbraw/zinc/25/75/48/557257548.db2.gz OOEPBHRTZXWLDL-UHFFFAOYSA-N 0 0 449.514 3.956 50 0 IHAARN COc1ccc(OCc2nnc(SCc3noc(C)n3)n2-c2ccccc2F)cc1 ZINC000027445333 557262351 /nfs/dbraw/zinc/26/23/51/557262351.db2.gz JJHCKBFQISSOTN-UHFFFAOYSA-N 0 0 427.461 3.978 50 0 IHAARN CCN(C(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)C1CCCCC1 ZINC000070011164 557267084 /nfs/dbraw/zinc/26/70/84/557267084.db2.gz UPAMEJCKKMADNQ-OAQYLSRUSA-N 0 0 438.524 3.571 50 0 IHAARN COc1ccc(CN(Cc2nc(-c3cccs3)oc2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027654106 557268564 /nfs/dbraw/zinc/26/85/64/557268564.db2.gz NYOAVMQBXBIWHZ-KRWDZBQOSA-N 0 0 432.567 3.909 50 0 IHAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1 ZINC000100659470 557268759 /nfs/dbraw/zinc/26/87/59/557268759.db2.gz CPEZEKKRZZXPJI-SJLPKXTDSA-N 0 0 448.449 3.569 50 0 IHAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000027671777 557270976 /nfs/dbraw/zinc/27/09/76/557270976.db2.gz IFROTYFDYYONHN-OAHLLOKOSA-N 0 0 443.883 3.822 50 0 IHAARN Cc1c(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000000829526 557272366 /nfs/dbraw/zinc/27/23/66/557272366.db2.gz OEFYIRJWQFIDKI-UHFFFAOYSA-N 0 0 438.491 3.755 50 0 IHAARN CCc1ccccc1NC(=O)CCc1c(C)nc2[nH]c(NCc3cccs3)nn2c1=O ZINC000101500760 557289741 /nfs/dbraw/zinc/28/97/41/557289741.db2.gz XLQHYGAXXJFGPQ-UHFFFAOYSA-N 0 0 436.541 3.533 50 0 IHAARN Cc1cccc(CCNC(=O)c2ccc(CNc3c(=O)c(=O)c3NC3CCCC3)cc2)c1 ZINC000101597119 557291308 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Cc1ccc2c(c1)Oc1ncccc1C(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000221272871 557313608 /nfs/dbraw/zinc/31/36/08/557313608.db2.gz WCQHQNPZNBZAAQ-UHFFFAOYSA-N 0 0 446.482 3.630 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000102196909 557314637 /nfs/dbraw/zinc/31/46/37/557314637.db2.gz RMZWPBIXXJEQBB-PCCBWWKXSA-N 0 0 432.432 3.507 50 0 IHAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000032794529 557316179 /nfs/dbraw/zinc/31/61/79/557316179.db2.gz AMDLXYXGVOUOPU-HNNXBMFYSA-N 0 0 440.487 3.968 50 0 IHAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000102267350 557316955 /nfs/dbraw/zinc/31/69/55/557316955.db2.gz JRZWSLDSTGZUOY-KBPBESRZSA-N 0 0 448.342 3.686 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C=C/c2ccco2)c1 ZINC000032960705 557319476 /nfs/dbraw/zinc/31/94/76/557319476.db2.gz HCEGUQWUWCARJK-JLHYYAGUSA-N 0 0 431.558 3.952 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCc2cccc(F)c2)s1 ZINC000032987342 557321841 /nfs/dbraw/zinc/32/18/41/557321841.db2.gz ACDQRXMNBRTMSH-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN CC(C)c1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033062967 557323405 /nfs/dbraw/zinc/32/34/05/557323405.db2.gz PPSHJTJOZMLAOC-UHFFFAOYSA-N 0 0 431.489 3.877 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000014244072 557328519 /nfs/dbraw/zinc/32/85/19/557328519.db2.gz BTLGZDLSMPSGQF-UHFFFAOYSA-N 0 0 428.485 3.608 50 0 IHAARN Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000033282741 557331798 /nfs/dbraw/zinc/33/17/98/557331798.db2.gz AOOZDYMKWSMEJD-UHFFFAOYSA-N 0 0 431.945 3.537 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000033381232 557334414 /nfs/dbraw/zinc/33/44/14/557334414.db2.gz CEMDHSFPDQKTIQ-UHFFFAOYSA-N 0 0 448.445 3.801 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000044153861 557339616 /nfs/dbraw/zinc/33/96/16/557339616.db2.gz ZMYUIOLBEUBLCU-IBGZPJMESA-N 0 0 426.517 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O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220863174 557369160 /nfs/dbraw/zinc/36/91/60/557369160.db2.gz VOOLLAXONXVXGF-HNNXBMFYSA-N 0 0 432.459 3.756 50 0 IHAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000013689330 557385955 /nfs/dbraw/zinc/38/59/55/557385955.db2.gz WICAFJARVFFQNN-UHFFFAOYSA-N 0 0 441.553 3.900 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 ZINC000023997119 557390567 /nfs/dbraw/zinc/39/05/67/557390567.db2.gz NLNXWIXGQZPDSF-UHFFFAOYSA-N 0 0 440.344 3.561 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000102871492 557395769 /nfs/dbraw/zinc/39/57/69/557395769.db2.gz ASNUHCKIBYDKIK-CALCHBBNSA-N 0 0 425.554 3.568 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956611 557398514 /nfs/dbraw/zinc/39/85/14/557398514.db2.gz WUUOEGIHRXSSMO-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000408516911 557411866 /nfs/dbraw/zinc/41/18/66/557411866.db2.gz AKHVSLFAGOVJTP-RCCFBDPRSA-N 0 0 431.581 3.704 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(C)c(C)c1 ZINC000004943790 557412929 /nfs/dbraw/zinc/41/29/29/557412929.db2.gz PKWDYRJPYMZIPF-UHFFFAOYSA-N 0 0 425.485 3.798 50 0 IHAARN CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000103085120 557418412 /nfs/dbraw/zinc/41/84/12/557418412.db2.gz RTQXAAZLIRPKJX-VKAVYKQESA-N 0 0 429.476 3.724 50 0 IHAARN CC(C)(C)OC(=O)NC1(CNC(=O)CCn2c3ccccc3oc2=O)CCCCCC1 ZINC000024494910 557434308 /nfs/dbraw/zinc/43/43/08/557434308.db2.gz QDNUODILOCWTEL-UHFFFAOYSA-N 0 0 431.533 3.719 50 0 IHAARN CC(C)[C@@H](NC(=O)CCCCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2n1C ZINC000223231264 557448990 /nfs/dbraw/zinc/44/89/90/557448990.db2.gz RMMASRMFHJSMKL-JOCHJYFZSA-N 0 0 447.539 3.638 50 0 IHAARN CC(C)[C@@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)c1nc2ccccc2[nH]1 ZINC000223236911 557449799 /nfs/dbraw/zinc/44/97/99/557449799.db2.gz YLXCFHVEMNHLDF-JOCHJYFZSA-N 0 0 435.915 3.954 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000085690728 557459314 /nfs/dbraw/zinc/45/93/14/557459314.db2.gz IMFAAKINSZVNFU-AWEZNQCLSA-N 0 0 439.903 3.625 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000104866087 557462469 /nfs/dbraw/zinc/46/24/69/557462469.db2.gz YMOCFWYJHVOONE-IAGOWNOFSA-N 0 0 444.553 3.778 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCc1cccnc1)C2 ZINC000104915907 557464877 /nfs/dbraw/zinc/46/48/77/557464877.db2.gz CRCAHFXGYDSWPU-AOYPEHQESA-N 0 0 442.563 3.583 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)C1 ZINC000105008231 557471765 /nfs/dbraw/zinc/47/17/65/557471765.db2.gz RAAABUKBLQOBPM-NFBKMPQASA-N 0 0 437.515 3.779 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000105725464 557510010 /nfs/dbraw/zinc/51/00/10/557510010.db2.gz DVNQYQOPIQXDOK-RTFZILSDSA-N 0 0 428.573 3.983 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000105955458 557512230 /nfs/dbraw/zinc/51/22/30/557512230.db2.gz FWUZAUVTECNSJM-HLIPFELVSA-N 0 0 429.442 3.873 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 ZINC000046844081 557512969 /nfs/dbraw/zinc/51/29/69/557512969.db2.gz XQUPNPJLIVFUQG-JXXFODFXSA-N 0 0 434.583 3.523 50 0 IHAARN COc1ccc(-n2c(CN3CCN(C(=O)NC4CCCCC4)CC3)nc3cccnc32)cc1 ZINC000047147474 557517805 /nfs/dbraw/zinc/51/78/05/557517805.db2.gz AJESJBMJKYLKCX-UHFFFAOYSA-N 0 0 448.571 3.589 50 0 IHAARN Cc1cc(C)cc(-n2c(CN3CCN(C(=O)NCCC(C)C)CC3)nc3cccnc32)c1 ZINC000047147888 557517997 /nfs/dbraw/zinc/51/79/97/557517997.db2.gz XGLZPRJQGMOBSE-UHFFFAOYSA-N 0 0 434.588 3.911 50 0 IHAARN COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C(O)c1ccccc1 ZINC000106213439 557523224 /nfs/dbraw/zinc/52/32/24/557523224.db2.gz CAPYRYAACVZIHP-CNNODRBYSA-N 0 0 444.409 3.952 50 0 IHAARN CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000012063032 557525943 /nfs/dbraw/zinc/52/59/43/557525943.db2.gz RAAHZBBVBDSATP-UHFFFAOYSA-N 0 0 449.891 3.894 50 0 IHAARN O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(F)cccc1F ZINC000025177818 557528851 /nfs/dbraw/zinc/52/88/51/557528851.db2.gz DOZGYLZUQNLBAY-UHFFFAOYSA-N 0 0 448.779 3.704 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)c1C ZINC000044839686 557539134 /nfs/dbraw/zinc/53/91/34/557539134.db2.gz UOIPQNCXECSDOA-UHFFFAOYSA-N 0 0 427.504 3.661 50 0 IHAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000044892053 557539864 /nfs/dbraw/zinc/53/98/64/557539864.db2.gz DFVZGFCPKJYCKX-GOTSBHOMSA-N 0 0 447.491 3.657 50 0 IHAARN COc1ccc(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1OC ZINC000044901385 557540120 /nfs/dbraw/zinc/54/01/20/557540120.db2.gz QNEMMQAKFKOQNS-UHFFFAOYSA-N 0 0 429.270 3.573 50 0 IHAARN COC(=O)[C@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000108091360 557540601 /nfs/dbraw/zinc/54/06/01/557540601.db2.gz NLGQBPSPAOZWAG-AUSIDOKSSA-N 0 0 449.532 3.791 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000044920919 557540952 /nfs/dbraw/zinc/54/09/52/557540952.db2.gz MLTZYXJPWITHIQ-UHFFFAOYSA-N 0 0 426.270 3.514 50 0 IHAARN COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N(C(C)=O)C(C)=O)cc1 ZINC000045364734 557543360 /nfs/dbraw/zinc/54/33/60/557543360.db2.gz RGVZNYHKESGKFA-UHFFFAOYSA-N 0 0 440.452 3.942 50 0 IHAARN O=C(NCCNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000045521805 557543572 /nfs/dbraw/zinc/54/35/72/557543572.db2.gz QZXRIKBUAGCRNQ-UHFFFAOYSA-N 0 0 436.821 3.747 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000108824506 557543625 /nfs/dbraw/zinc/54/36/25/557543625.db2.gz XDIKRBALKWNFBN-YDHLFZDLSA-N 0 0 436.961 3.911 50 0 IHAARN COc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(C(C)C)cc4)nn32)cc1 ZINC000045925610 557550049 /nfs/dbraw/zinc/55/00/49/557550049.db2.gz RRQUCHDBYPTNMW-UHFFFAOYSA-N 0 0 449.536 3.947 50 0 IHAARN Cc1ccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(C(C)C)cc4)nn32)cc1 ZINC000045925665 557550373 /nfs/dbraw/zinc/55/03/73/557550373.db2.gz YNJNPBZAPVOKKQ-UHFFFAOYSA-N 0 0 447.564 3.925 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2ccc(SC3CCCCC3)nn2c1=O ZINC000045970813 557558394 /nfs/dbraw/zinc/55/83/94/557558394.db2.gz PMOPJCDIVZLHIL-UHFFFAOYSA-N 0 0 447.948 3.617 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCO3)C2=O ZINC000039976102 557673352 /nfs/dbraw/zinc/67/33/52/557673352.db2.gz QVJXCRZTIRFHHV-HXUWFJFHSA-N 0 0 434.492 3.506 50 0 IHAARN CC(C)[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCCO2 ZINC000040049409 557685373 /nfs/dbraw/zinc/68/53/73/557685373.db2.gz FIYXAAPCHFJYJD-QFIPXVFZSA-N 0 0 432.467 3.760 50 0 IHAARN NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)N2 ZINC000040114048 557694851 /nfs/dbraw/zinc/69/48/51/557694851.db2.gz RYUMSKGUUPEYPU-BKUYFWCQSA-N 0 0 442.500 3.679 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NN1CCOCC1 ZINC000040413480 557722820 /nfs/dbraw/zinc/72/28/20/557722820.db2.gz ZAZDEOBWUWVQQO-UHFFFAOYSA-N 0 0 442.466 3.547 50 0 IHAARN Cc1cc(CSc2ncccc2C(=O)NCc2ccc(NC(=O)N(C)C)cc2)no1 ZINC000225446854 557723988 /nfs/dbraw/zinc/72/39/88/557723988.db2.gz DDQPUSAIHOQEDA-UHFFFAOYSA-N 0 0 425.514 3.694 50 0 IHAARN COC(=O)[C@H](C)N(C(=O)c1cnc2ccccc2n1)c1ccc(Br)cc1C ZINC000225474985 557727284 /nfs/dbraw/zinc/72/72/84/557727284.db2.gz FNPQPOQOKFYBIA-ZDUSSCGKSA-N 0 0 428.286 3.909 50 0 IHAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000225502296 557731302 /nfs/dbraw/zinc/73/13/02/557731302.db2.gz YCERKDDRHGVCME-HSZRJFAPSA-N 0 0 448.954 3.551 50 0 IHAARN Cc1ccc(C)c(OCC(=O)NC[C@@]2(C)CCN(C(=O)COc3cc(C)ccc3C)C2)c1 ZINC000225669567 557760297 /nfs/dbraw/zinc/76/02/97/557760297.db2.gz GEGDKLJENTUJBG-AREMUKBSSA-N 0 0 438.568 3.733 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1C ZINC000041024929 557805666 /nfs/dbraw/zinc/80/56/66/557805666.db2.gz CYLFLSLTHDSGGT-LJQANCHMSA-N 0 0 439.537 3.544 50 0 IHAARN COc1cc(OC)c([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000000855095 557831233 /nfs/dbraw/zinc/83/12/33/557831233.db2.gz MFWJJNYHYCJYFP-NRFANRHFSA-N 0 0 427.478 3.707 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN12)c1ccccc1 ZINC000229881441 557833716 /nfs/dbraw/zinc/83/37/16/557833716.db2.gz DURIVYJWBKVZRM-HCXYKTFWSA-N 0 0 429.303 3.829 50 0 IHAARN O=C(CN1CCC[C@H]2CCCC[C@H]21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000229996787 557835135 /nfs/dbraw/zinc/83/51/35/557835135.db2.gz PFZAGWXQXPPEOI-OXQOHEQNSA-N 0 0 440.009 3.718 50 0 IHAARN O=C(Nc1cccc(O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000866125 557839510 /nfs/dbraw/zinc/83/95/10/557839510.db2.gz RTSYHHHTVIJSDH-UHFFFAOYSA-N 0 0 439.331 3.582 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@H]2C1 ZINC000239274944 557843528 /nfs/dbraw/zinc/84/35/28/557843528.db2.gz AZDCWFCABWWOPR-CTOYSFNJSA-N 0 0 446.503 3.571 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)COC[C@@H]1CCOC1)CC(C)(C)O2 ZINC000240744115 557845792 /nfs/dbraw/zinc/84/57/92/557845792.db2.gz HUQKFXGEFMZWGM-CRAIPNDOSA-N 0 0 434.533 3.805 50 0 IHAARN CCCn1c(CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21 ZINC000241515678 557846572 /nfs/dbraw/zinc/84/65/72/557846572.db2.gz OGZJWKCXUPXNFI-UHFFFAOYSA-N 0 0 448.976 3.733 50 0 IHAARN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000873932 557848004 /nfs/dbraw/zinc/84/80/04/557848004.db2.gz NRAPQIPETMPYOV-UHFFFAOYSA-N 0 0 427.505 3.983 50 0 IHAARN CCn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)c1=O ZINC000034693467 557848977 /nfs/dbraw/zinc/84/89/77/557848977.db2.gz PNVODZICGUZALP-UHFFFAOYSA-N 0 0 443.290 3.559 50 0 IHAARN CCc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294797 557849969 /nfs/dbraw/zinc/84/99/69/557849969.db2.gz AHHPOYJXGWZWQZ-YASKCIBGSA-N 0 0 432.557 3.972 50 0 IHAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000018708024 557854754 /nfs/dbraw/zinc/85/47/54/557854754.db2.gz ZUFGKOHPCCRYNO-UHFFFAOYSA-N 0 0 427.478 3.943 50 0 IHAARN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000921462 560180032 /nfs/dbraw/zinc/18/00/32/560180032.db2.gz RGYQVFLEJPGKKC-HSZRJFAPSA-N 0 0 436.533 3.758 50 0 biogenic,in-vitro IHAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Br)cc1 ZINC000001738409 560184655 /nfs/dbraw/zinc/18/46/55/560184655.db2.gz QXXNZCQTGAOJIR-IBGZPJMESA-N 0 0 445.313 3.600 50 0 biogenic,in-vitro IHAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Br)o1 ZINC000000991181 562919957 /nfs/dbraw/zinc/91/99/57/562919957.db2.gz WZCBCFRIDOSOSM-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN CCOC(=O)CSc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000001383061 562921488 /nfs/dbraw/zinc/92/14/88/562921488.db2.gz WHIZVSTUOILHHT-UHFFFAOYSA-N 0 0 428.535 3.773 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(CC)c3n2)cc1 ZINC000001425665 562921914 /nfs/dbraw/zinc/92/19/14/562921914.db2.gz YNUGUBVVQDXOMI-UHFFFAOYSA-N 0 0 435.509 3.907 50 0 IHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002494178 562928172 /nfs/dbraw/zinc/92/81/72/562928172.db2.gz MIHYNNNZRUFMHZ-UHFFFAOYSA-N 0 0 434.543 3.861 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1 ZINC000002618449 562928458 /nfs/dbraw/zinc/92/84/58/562928458.db2.gz MBAVXGNIVFYBIB-UHFFFAOYSA-N 0 0 433.555 3.938 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NCc1ccco1 ZINC000002624090 562928613 /nfs/dbraw/zinc/92/86/13/562928613.db2.gz JARWQZQUDJQSIP-UHFFFAOYSA-N 0 0 438.484 3.987 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1 ZINC000003236478 562933216 /nfs/dbraw/zinc/93/32/16/562933216.db2.gz GCICNIFHNOZQPN-UHFFFAOYSA-N 0 0 427.482 3.542 50 0 IHAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003273592 562933564 /nfs/dbraw/zinc/93/35/64/562933564.db2.gz OZEMPNUBOCQGFN-UHFFFAOYSA-N 0 0 436.537 3.757 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003380341 562935081 /nfs/dbraw/zinc/93/50/81/562935081.db2.gz IZBWZENMJXPRGR-UHFFFAOYSA-N 0 0 443.941 3.832 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003417936 562935512 /nfs/dbraw/zinc/93/55/12/562935512.db2.gz IYZCNDKUSPZJBJ-CQSZACIVSA-N 0 0 430.302 3.653 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)C(C)C)cc1 ZINC000003450705 562936032 /nfs/dbraw/zinc/93/60/32/562936032.db2.gz OMRLTROOJATYJJ-NRFANRHFSA-N 0 0 449.532 3.715 50 0 aggregator IHAARN CCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1 ZINC000003455303 562936087 /nfs/dbraw/zinc/93/60/87/562936087.db2.gz HTYHLVGBSHYDFU-UHFFFAOYSA-N 0 0 431.558 3.532 50 0 IHAARN Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1 ZINC000003959833 562940106 /nfs/dbraw/zinc/94/01/06/562940106.db2.gz RXXFSWFKNAVPSA-UHFFFAOYSA-N 0 0 432.552 3.717 50 0 IHAARN Cc1ccc(N(C(=O)[C@@H]2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 ZINC000004099665 562941784 /nfs/dbraw/zinc/94/17/84/562941784.db2.gz XQHGHOFDPMYLKY-NRFANRHFSA-N 0 0 425.573 3.758 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000006142105 562946231 /nfs/dbraw/zinc/94/62/31/562946231.db2.gz ALLMJLPXYLHGGR-PMACEKPBSA-N 0 0 442.581 3.938 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000006147919 562946315 /nfs/dbraw/zinc/94/63/15/562946315.db2.gz QIHHNONCRDTKPQ-AWEZNQCLSA-N 0 0 447.582 3.856 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC)c2c1 ZINC000006238498 562946490 /nfs/dbraw/zinc/94/64/90/562946490.db2.gz COWBMUCUHWRRNA-UHFFFAOYSA-N 0 0 426.542 3.515 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)N[C@@H](C)CC)c2c1 ZINC000006238505 562946531 /nfs/dbraw/zinc/94/65/31/562946531.db2.gz XIQSPTIGWOECGS-INIZCTEOSA-N 0 0 440.569 3.904 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1 ZINC000006577537 562947687 /nfs/dbraw/zinc/94/76/87/562947687.db2.gz ANGYDAIXSOODOQ-UHFFFAOYSA-N 0 0 427.549 3.830 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000006577610 562947727 /nfs/dbraw/zinc/94/77/27/562947727.db2.gz BSQMIGGBRFZCHW-GDLZYMKVSA-N 0 0 432.929 3.877 50 0 IHAARN CCOc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577730 562947794 /nfs/dbraw/zinc/94/77/94/562947794.db2.gz LTPPIAAQZVSJHG-UHFFFAOYSA-N 0 0 449.573 3.724 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000006577851 562947878 /nfs/dbraw/zinc/94/78/78/562947878.db2.gz FFQIPGOEJJARCC-SFHVURJKSA-N 0 0 439.537 3.673 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000006577993 562947990 /nfs/dbraw/zinc/94/79/90/562947990.db2.gz DENJRKKPNKSZDF-UHFFFAOYSA-N 0 0 430.505 3.792 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1OC ZINC000008583778 562949845 /nfs/dbraw/zinc/94/98/45/562949845.db2.gz SMJZVOMYIQGRIK-CQSZACIVSA-N 0 0 430.526 3.582 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1Br ZINC000008589024 562951027 /nfs/dbraw/zinc/95/10/27/562951027.db2.gz VMKJVHXHMXSDME-UHFFFAOYSA-N 0 0 439.313 3.508 50 0 IHAARN Cn1c(Oc2cccc(Cl)c2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000008589983 562951407 /nfs/dbraw/zinc/95/14/07/562951407.db2.gz IIRPLCNJWPDQDZ-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2N)cc1 ZINC000008590469 562951715 /nfs/dbraw/zinc/95/17/15/562951715.db2.gz PCGROCJXATWPFI-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000008591497 562952082 /nfs/dbraw/zinc/95/20/82/562952082.db2.gz PXBRFXZLNXKGKS-UHFFFAOYSA-N 0 0 435.528 3.631 50 0 IHAARN CCCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000008593353 562952627 /nfs/dbraw/zinc/95/26/27/562952627.db2.gz AIEZKJPRWORANO-UHFFFAOYSA-N 0 0 427.932 3.561 50 0 IHAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N[C@@H](C)CC)c2=O)CCCC4)cc1 ZINC000008593374 562952707 /nfs/dbraw/zinc/95/27/07/562952707.db2.gz XRVHBGHBSNQDBE-HNNXBMFYSA-N 0 0 439.581 3.570 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCCC3)Nc1ccc(F)cc1 ZINC000008593505 562952774 /nfs/dbraw/zinc/95/27/74/562952774.db2.gz NFJPMAFMYGWHNP-UHFFFAOYSA-N 0 0 449.507 3.871 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NC[C@@H](C)c1ccccc1 ZINC000008597261 562953989 /nfs/dbraw/zinc/95/39/89/562953989.db2.gz MZVHROOKJMGISS-QGZVFWFLSA-N 0 0 426.538 3.793 50 0 IHAARN COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1 ZINC000008597760 562954130 /nfs/dbraw/zinc/95/41/30/562954130.db2.gz USKXIOJRJUQBSL-UHFFFAOYSA-N 0 0 444.509 3.529 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2nsc3ccccc32)C1 ZINC000008599183 562954633 /nfs/dbraw/zinc/95/46/33/562954633.db2.gz LSZLJEGUSWTHQQ-OAHLLOKOSA-N 0 0 437.521 3.964 50 0 IHAARN Cn1c(Oc2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000008606274 562956928 /nfs/dbraw/zinc/95/69/28/562956928.db2.gz BVXRWDBJXQWQDZ-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 biogenic IHAARN COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000008607291 562957280 /nfs/dbraw/zinc/95/72/80/562957280.db2.gz YQJFWNFNVFOXIT-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000008609650 562957909 /nfs/dbraw/zinc/95/79/09/562957909.db2.gz TXZSHIQHNNCUGL-UHFFFAOYSA-N 0 0 447.926 3.748 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000008612022 562958911 /nfs/dbraw/zinc/95/89/11/562958911.db2.gz XRXDUBFLHXRZMO-LBPRGKRZSA-N 0 0 440.978 3.525 50 0 IHAARN Cc1ccc2nc(COc3cccc(NC(=O)COc4ccccc4F)c3)cc(=O)n2c1 ZINC000008619623 562959949 /nfs/dbraw/zinc/95/99/49/562959949.db2.gz BBSPKRRPPWFARR-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000008619645 562959952 /nfs/dbraw/zinc/95/99/52/562959952.db2.gz MTNGBTZWKORPGM-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCCc1ccccc1 ZINC000008654510 562960219 /nfs/dbraw/zinc/96/02/19/562960219.db2.gz QDWHPYSFZMEWHZ-UHFFFAOYSA-N 0 0 426.538 3.622 50 0 IHAARN C[C@H](OC(=O)Cn1c2ccccc2nc1C(F)(F)F)C(=O)N1CCCc2ccccc21 ZINC000008670800 562960793 /nfs/dbraw/zinc/96/07/93/562960793.db2.gz FFLKDOQOGAUMHW-AWEZNQCLSA-N 0 0 431.414 3.966 50 0 IHAARN O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000008671336 562960853 /nfs/dbraw/zinc/96/08/53/562960853.db2.gz FCKCNDOSIBCFAK-UHFFFAOYSA-N 0 0 446.525 3.620 50 0 IHAARN CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000008673536 562961229 /nfs/dbraw/zinc/96/12/29/562961229.db2.gz DVPMQGLYARVYKW-CQSZACIVSA-N 0 0 435.567 3.770 50 0 aggregator IHAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)cc1 ZINC000008673872 562961295 /nfs/dbraw/zinc/96/12/95/562961295.db2.gz KJKWGOZNENTXBF-UHFFFAOYSA-N 0 0 443.550 3.508 50 0 IHAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCc3cccnc3)s2)CC1=O ZINC000008824627 562964355 /nfs/dbraw/zinc/96/43/55/562964355.db2.gz CXHXIQIISLMHCC-HNNXBMFYSA-N 0 0 425.539 3.525 50 0 IHAARN COc1cc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3C)n2)cc(OC)c1OC ZINC000008831152 562964949 /nfs/dbraw/zinc/96/49/49/562964949.db2.gz ZRCIDTOSNHXDIM-UHFFFAOYSA-N 0 0 427.848 3.972 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1-c1ccccc1 ZINC000008965679 562966333 /nfs/dbraw/zinc/96/63/33/562966333.db2.gz QCTIIRLUQGHXJM-UHFFFAOYSA-N 0 0 443.503 3.644 50 0 IHAARN COc1cccc(CNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)c1OC ZINC000009115151 562967115 /nfs/dbraw/zinc/96/71/15/562967115.db2.gz OFHZAQPXIQZHHP-UHFFFAOYSA-N 0 0 428.510 3.567 50 0 IHAARN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c1 ZINC000009243143 562968418 /nfs/dbraw/zinc/96/84/18/562968418.db2.gz MVLUYKGPNIIXFJ-UHFFFAOYSA-N 0 0 440.525 3.518 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccccc3)c(=O)c2n1 ZINC000009300032 562969104 /nfs/dbraw/zinc/96/91/04/562969104.db2.gz XTZYLKSTZHLLOW-UHFFFAOYSA-N 0 0 437.500 3.531 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccc(OC)cc3)c2)cc1 ZINC000009506734 562972426 /nfs/dbraw/zinc/97/24/26/562972426.db2.gz KGEYKOXRRNEHGG-UHFFFAOYSA-N 0 0 442.493 3.522 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cncc(Br)c1 ZINC000009612994 562974185 /nfs/dbraw/zinc/97/41/85/562974185.db2.gz SSGOLDMMRIUBAF-UHFFFAOYSA-N 0 0 438.347 3.661 50 0 IHAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000009660366 562974738 /nfs/dbraw/zinc/97/47/38/562974738.db2.gz ALVVIVILYVDWEB-UHFFFAOYSA-N 0 0 436.299 3.541 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009714379 562975770 /nfs/dbraw/zinc/97/57/70/562975770.db2.gz RQRPTMJCQWITHA-UHFFFAOYSA-N 0 0 430.464 3.739 50 0 IHAARN C[C@@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000009729689 562976199 /nfs/dbraw/zinc/97/61/99/562976199.db2.gz TTWQVAVOMHZGOB-CHWSQXEVSA-N 0 0 445.472 3.874 50 0 IHAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1c[nH]c3ccccc13)C2=O ZINC000012985641 562983785 /nfs/dbraw/zinc/98/37/85/562983785.db2.gz NNVUFKGWKMLHLP-UHFFFAOYSA-N 0 0 438.572 3.744 50 0 IHAARN CN1CCN(NC(=O)c2cc(-c3ccc(Br)s3)nc3ccccc32)CC1 ZINC000015895237 563018358 /nfs/dbraw/zinc/01/83/58/563018358.db2.gz BFFWUVUPLLRZQV-UHFFFAOYSA-N 0 0 431.359 3.618 50 0 IHAARN O=C(c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)N1CCN(c2ccccn2)CC1 ZINC000015941585 563019482 /nfs/dbraw/zinc/01/94/82/563019482.db2.gz YWGATEQRWWCFMR-GDLZYMKVSA-N 0 0 429.929 3.598 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000015942253 563019561 /nfs/dbraw/zinc/01/95/61/563019561.db2.gz NQMFFBZZXYKGBC-HZPDHXFCSA-N 0 0 438.553 3.983 50 0 IHAARN CC[C@H](C(=O)NCCCc1ccccc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943074 563019898 /nfs/dbraw/zinc/01/98/98/563019898.db2.gz FEMLFNLGGKMKMS-JOCHJYFZSA-N 0 0 443.551 3.899 50 0 IHAARN CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000015944535 563020340 /nfs/dbraw/zinc/02/03/40/563020340.db2.gz RECLCCHVMGRHGF-UHFFFAOYSA-N 0 0 433.448 3.817 50 0 IHAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccnc2)CC1 ZINC000020289795 563024506 /nfs/dbraw/zinc/02/45/06/563024506.db2.gz XTVQGNKVYGHBRH-JPYJTQIMSA-N 0 0 436.581 3.834 50 0 IHAARN CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000027631123 563044820 /nfs/dbraw/zinc/04/48/20/563044820.db2.gz VOZHMAYHYHEWBW-NVOOAVKYSA-N 0 0 444.568 3.784 50 0 biogenic,in-vitro IHAARN COCCn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000037868120 563096012 /nfs/dbraw/zinc/09/60/12/563096012.db2.gz HANKQPBSFXHOLH-UHFFFAOYSA-N 0 0 442.903 3.769 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000025065916 568626954 /nfs/dbraw/zinc/62/69/54/568626954.db2.gz PIMLNOPTOFMWSU-DQYWGJDHSA-N 0 0 437.005 3.826 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N[C@@H](C)c2ccco2)cc1 ZINC000019009517 568631981 /nfs/dbraw/zinc/63/19/81/568631981.db2.gz RTCOAXBCZVEBGQ-HNNXBMFYSA-N 0 0 435.505 3.957 50 0 IHAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000000915077 568636648 /nfs/dbraw/zinc/63/66/48/568636648.db2.gz KZHLYPZFSKSYEF-OAQYLSRUSA-N 0 0 435.484 3.503 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c3c(Cl)ccc2OC)cc1 ZINC000000917732 568637071 /nfs/dbraw/zinc/63/70/71/568637071.db2.gz OHWPMDGLHFMMKP-UHFFFAOYSA-N 0 0 429.889 3.908 50 0 IHAARN CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC(c3ccc(Cl)cc3)=NC2=N1 ZINC000000940661 568641644 /nfs/dbraw/zinc/64/16/44/568641644.db2.gz ZPXZLCVJVWETSE-MRXNPFEDSA-N 0 0 444.720 3.540 50 0 IHAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056918 568642272 /nfs/dbraw/zinc/64/22/72/568642272.db2.gz IAOKHVMCCJSBLV-INIZCTEOSA-N 0 0 437.521 3.944 50 0 IHAARN Cc1cc(C)nc(SC2=C(NCc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959889 568646566 /nfs/dbraw/zinc/64/65/66/568646566.db2.gz QNWTWKLFWNMPSZ-UHFFFAOYSA-N 0 0 430.533 3.756 50 0 IHAARN COc1ccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1OC ZINC000000960086 568646675 /nfs/dbraw/zinc/64/66/75/568646675.db2.gz KWNPESKPJMNZRL-UHFFFAOYSA-N 0 0 431.444 3.762 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1OC ZINC000000954702 568646950 /nfs/dbraw/zinc/64/69/50/568646950.db2.gz PRMUTNWHHTUACC-IBGZPJMESA-N 0 0 440.891 3.661 50 0 IHAARN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000025202158 568647545 /nfs/dbraw/zinc/64/75/45/568647545.db2.gz ZBJUEMWCSFHCMF-UHFFFAOYSA-N 0 0 439.737 3.775 50 0 IHAARN C[C@@H]1CCc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccc5c(c4)OCO5)n23)C1 ZINC000000986184 568649016 /nfs/dbraw/zinc/64/90/16/568649016.db2.gz HWLPZNWZUMOZNN-LLVKDONJSA-N 0 0 440.550 3.789 50 0 IHAARN C[C@H]1CCc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccc5c(c4)OCO5)n23)C1 ZINC000000986183 568649107 /nfs/dbraw/zinc/64/91/07/568649107.db2.gz HWLPZNWZUMOZNN-NSHDSACASA-N 0 0 440.550 3.789 50 0 IHAARN Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C ZINC000001008672 568650788 /nfs/dbraw/zinc/65/07/88/568650788.db2.gz XQGRXDCOLAMDRJ-KEBDBYFISA-N 0 0 449.488 3.890 50 0 IHAARN O=C(c1cccs1)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000025270380 568650794 /nfs/dbraw/zinc/65/07/94/568650794.db2.gz JLGCGPFJXKFOKW-UHFFFAOYSA-N 0 0 428.517 3.957 50 0 IHAARN O=C(Nc1cccc(Cl)c1)OCn1ncc(Br)c(Br)c1=O ZINC000001031356 568653768 /nfs/dbraw/zinc/65/37/68/568653768.db2.gz ZFUFEBBQYHIGFF-UHFFFAOYSA-N 0 0 437.475 3.628 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(I)cc1 ZINC000001067927 568656241 /nfs/dbraw/zinc/65/62/41/568656241.db2.gz HOLWZUWVEJEVNC-UHFFFAOYSA-N 0 0 445.278 3.774 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3c(C)cc4ccccc4n13)CC2 ZINC000001100849 568657991 /nfs/dbraw/zinc/65/79/91/568657991.db2.gz UEARURFAOJZBKU-UHFFFAOYSA-N 0 0 448.548 3.885 50 0 IHAARN CC(C)(C)OC(=O)NCCn1nc(-c2cccc(Cl)c2)c2nc3ccccn3c(=O)c21 ZINC000261508025 568735133 /nfs/dbraw/zinc/73/51/33/568735133.db2.gz OZSWWYKEHWCAMT-UHFFFAOYSA-N 0 0 439.903 3.889 50 0 IHAARN COc1cccc(C2=NN(C(=O)c3cccc(Br)c3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000001214799 568739530 /nfs/dbraw/zinc/73/95/30/568739530.db2.gz KBMQLBIFPDEPEX-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)n3nnc(-c4cccc(C(F)(F)F)c4)n3)ccc21 ZINC000031683647 568741634 /nfs/dbraw/zinc/74/16/34/568741634.db2.gz RCFGJLYWXABMLS-GFCCVEGCSA-N 0 0 429.402 3.712 50 0 IHAARN CCCOC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccc(C)c(O)c3)C2=O)cc1 ZINC000001907214 568742184 /nfs/dbraw/zinc/74/21/84/568742184.db2.gz YICIXTDZAAFXHI-UHFFFAOYSA-N 0 0 428.872 3.699 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000043943936 568743898 /nfs/dbraw/zinc/74/38/98/568743898.db2.gz NKRMJMYQGDKTNT-UHFFFAOYSA-N 0 0 446.910 3.786 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003261728 568744264 /nfs/dbraw/zinc/74/42/64/568744264.db2.gz XAVRWEOIPDGLME-UHFFFAOYSA-N 0 0 425.510 3.780 50 0 IHAARN COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 ZINC000044002190 568745536 /nfs/dbraw/zinc/74/55/36/568745536.db2.gz XDYYDNHTOIWEPX-FNORWQNLSA-N 0 0 447.329 3.733 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1C ZINC000003344073 568746647 /nfs/dbraw/zinc/74/66/47/568746647.db2.gz WNRLLGGMSPHYOR-UHFFFAOYSA-N 0 0 425.510 3.922 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000044170275 568749506 /nfs/dbraw/zinc/74/95/06/568749506.db2.gz NWUZUSGYFMSEBP-UHFFFAOYSA-N 0 0 431.540 3.746 50 0 IHAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cncc(Br)c1 ZINC000044225705 568749932 /nfs/dbraw/zinc/74/99/32/568749932.db2.gz KSIJCBSZANHBDF-UHFFFAOYSA-N 0 0 443.345 3.545 50 0 IHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000003491418 568750177 /nfs/dbraw/zinc/75/01/77/568750177.db2.gz UIMVCAWNWBYWJV-UHFFFAOYSA-N 0 0 427.526 3.780 50 0 IHAARN O=C(CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000015316302 568755273 /nfs/dbraw/zinc/75/52/73/568755273.db2.gz AGFIFGKFNIBKPM-UHFFFAOYSA-N 0 0 449.617 3.607 50 0 IHAARN O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000299758918 568755688 /nfs/dbraw/zinc/75/56/88/568755688.db2.gz LSFXGBODCYSNAX-JOCHJYFZSA-N 0 0 433.464 3.650 50 0 IHAARN Cc1nc(CC(=O)NCc2nnc(SCc3ccccc3F)n2CC(C)C)cs1 ZINC000299775132 568756854 /nfs/dbraw/zinc/75/68/54/568756854.db2.gz HMQOYYAJOXHDBV-UHFFFAOYSA-N 0 0 433.578 3.989 50 0 IHAARN O=C(NCCn1ccnc1)[C@H]1CC12CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000299795731 568757908 /nfs/dbraw/zinc/75/79/08/568757908.db2.gz NFJFPBYWGDUISC-DHIUTWEWSA-N 0 0 434.584 3.602 50 0 IHAARN COCc1c(C(=O)N2CCCC[C@H]2c2cccnc2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299795112 568757991 /nfs/dbraw/zinc/75/79/91/568757991.db2.gz KHBCYDLJBBJJQA-FQEVSTJZSA-N 0 0 444.495 3.831 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000015321741 568758332 /nfs/dbraw/zinc/75/83/32/568758332.db2.gz POQMJCLJRWJYTB-UHFFFAOYSA-N 0 0 441.509 3.973 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004027459 568758736 /nfs/dbraw/zinc/75/87/36/568758736.db2.gz BNPNBAWUHPQBIR-BRFDOSINSA-N 0 0 426.509 3.649 50 0 biogenic IHAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000263588387 568761008 /nfs/dbraw/zinc/76/10/08/568761008.db2.gz SSSRVCNHZQXSAY-UHFFFAOYSA-N 0 0 438.509 3.873 50 0 IHAARN Cc1ccc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 ZINC000001266512 568775416 /nfs/dbraw/zinc/77/54/16/568775416.db2.gz XELYSXKSQRBERH-UHFFFAOYSA-N 0 0 426.929 3.595 50 0 IHAARN COc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccccc4Br)c3CO2)cc1 ZINC000263615040 568775746 /nfs/dbraw/zinc/77/57/46/568775746.db2.gz AGHFCHAQZIVKAR-IBGZPJMESA-N 0 0 442.313 3.856 50 0 IHAARN Cc1ccc(-c2nn3ccn(Cc4noc(-c5ccc(C)c(C)c5)n4)c(=O)c3c2CO)cc1 ZINC000263617326 568777120 /nfs/dbraw/zinc/77/71/20/568777120.db2.gz NETBBXKVNGMAOJ-UHFFFAOYSA-N 0 0 441.491 3.679 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000025765824 568779681 /nfs/dbraw/zinc/77/96/81/568779681.db2.gz VAEHEABXKLCQTF-UHFFFAOYSA-N 0 0 431.558 3.547 50 0 IHAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(Br)cc1 ZINC000001320998 568779985 /nfs/dbraw/zinc/77/99/85/568779985.db2.gz BAPJLUZSCSLPNU-UHFFFAOYSA-N 0 0 441.310 3.921 50 0 IHAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)Nc4ccc(F)cc4F)ccc3c2=O)c1 ZINC000032103258 568780821 /nfs/dbraw/zinc/78/08/21/568780821.db2.gz PVFKFAAQESWIDW-UHFFFAOYSA-N 0 0 437.402 3.933 50 0 IHAARN COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000001362649 568782190 /nfs/dbraw/zinc/78/21/90/568782190.db2.gz YQXGBHWECDJYLJ-OAHLLOKOSA-N 0 0 433.917 3.967 50 0 IHAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000015470082 568784458 /nfs/dbraw/zinc/78/44/58/568784458.db2.gz ORFXRLZDZCNUJR-HXUWFJFHSA-N 0 0 425.916 3.631 50 0 IHAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 ZINC000223234561 568786497 /nfs/dbraw/zinc/78/64/97/568786497.db2.gz MMVZJUJGHQHAFE-UHFFFAOYSA-N 0 0 443.569 3.634 50 0 IHAARN Cc1cc(C)cc(Oc2cc(CNC(=O)CN3c4ccccc4OCCC3=O)ccn2)c1 ZINC000084085969 568791966 /nfs/dbraw/zinc/79/19/66/568791966.db2.gz LKDGVZCONZNPOT-UHFFFAOYSA-N 0 0 431.492 3.923 50 0 IHAARN CC[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000001432408 568795245 /nfs/dbraw/zinc/79/52/45/568795245.db2.gz ZUDLOIYSKQSZHT-MRXNPFEDSA-N 0 0 443.960 3.626 50 0 IHAARN Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000001432773 568795454 /nfs/dbraw/zinc/79/54/54/568795454.db2.gz NZHIBAHGRFDHRF-UHFFFAOYSA-N 0 0 444.520 3.565 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2=O ZINC000084207947 568796333 /nfs/dbraw/zinc/79/63/33/568796333.db2.gz NAYFKTYHGSAHBE-MRXNPFEDSA-N 0 0 426.900 3.705 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2-c2ccc(C)cc2)cc1 ZINC000004212904 568796958 /nfs/dbraw/zinc/79/69/58/568796958.db2.gz TWVKPLSYHIGLSU-FQEVSTJZSA-N 0 0 438.553 3.639 50 0 IHAARN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1[nH]nc(C2CC2)c1Br ZINC000084344554 568797157 /nfs/dbraw/zinc/79/71/57/568797157.db2.gz UZYWGJBJTWYSMD-JTQLQIEISA-N 0 0 425.277 3.584 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000015584353 568798999 /nfs/dbraw/zinc/79/89/99/568798999.db2.gz JTAKMCCVLUGHHX-HRCADAONSA-N 0 0 448.972 3.729 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(C)c3)n2)c1 ZINC000015670454 568801920 /nfs/dbraw/zinc/80/19/20/568801920.db2.gz KLJHEFYUMGRCCW-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)cc3)n2)cc1 ZINC000015670172 568802134 /nfs/dbraw/zinc/80/21/34/568802134.db2.gz BQSXTYFJPSDCEY-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN C[C@H]1Sc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2NC1=O ZINC000015677324 568804358 /nfs/dbraw/zinc/80/43/58/568804358.db2.gz FUVAWFCNWFAECB-SNVBAGLBSA-N 0 0 427.345 3.707 50 0 IHAARN CC[C@H](C)[N@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccco1 ZINC000015677602 568804568 /nfs/dbraw/zinc/80/45/68/568804568.db2.gz NRJXSMXMPJLDKY-SFHVURJKSA-N 0 0 436.556 3.746 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)CC1 ZINC000015677509 568804618 /nfs/dbraw/zinc/80/46/18/568804618.db2.gz SJIYZSYZDFQNCD-UHFFFAOYSA-N 0 0 436.943 3.657 50 0 IHAARN COc1cc(OC)c(N(C)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)cc1Cl ZINC000015677490 568804626 /nfs/dbraw/zinc/80/46/26/568804626.db2.gz DVCIILDVGUKRES-UHFFFAOYSA-N 0 0 427.888 3.680 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CN3c4ccccc4Oc4ncccc4C3=O)C[C@@H]2C)c1 ZINC000015679963 568805876 /nfs/dbraw/zinc/80/58/76/568805876.db2.gz GHFWFRVVLRABSI-IBGZPJMESA-N 0 0 442.519 3.880 50 0 IHAARN COc1cc(CN(C(=O)CCn2cnc3ccccc3c2=O)C2CC2)ccc1OC(F)F ZINC000032493592 568811427 /nfs/dbraw/zinc/81/14/27/568811427.db2.gz VSPXEEBJNPNJCE-UHFFFAOYSA-N 0 0 443.450 3.588 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N3CCS[C@H](c4ccccc4F)CC3)cc3c2N1CC3 ZINC000219165971 568811453 /nfs/dbraw/zinc/81/14/53/568811453.db2.gz REHYUJBSAJWQHU-FQEVSTJZSA-N 0 0 446.569 3.530 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032514061 568812319 /nfs/dbraw/zinc/81/23/19/568812319.db2.gz MZLYJAFMODHFSP-UHFFFAOYSA-N 0 0 446.525 3.516 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n32)cc1 ZINC000015732549 568815308 /nfs/dbraw/zinc/81/53/08/568815308.db2.gz KIBWIADWBKUYOL-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccc2c(c1)OCO2 ZINC000015733360 568815715 /nfs/dbraw/zinc/81/57/15/568815715.db2.gz VXJUDQDNPFJBIY-UHFFFAOYSA-N 0 0 429.432 3.828 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2=O)s1 ZINC000015771618 568822533 /nfs/dbraw/zinc/82/25/33/568822533.db2.gz VIWVJNNAPLDLGL-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CCCC)sc3n2)c1 ZINC000015771913 568822684 /nfs/dbraw/zinc/82/26/84/568822684.db2.gz KNSVGJUIAXGORW-UHFFFAOYSA-N 0 0 442.541 3.979 50 0 IHAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2)C3)CC1 ZINC000015779603 568825058 /nfs/dbraw/zinc/82/50/58/568825058.db2.gz AOCAJDJCOMDOBH-UHFFFAOYSA-N 0 0 433.531 3.509 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 ZINC000015781316 568825787 /nfs/dbraw/zinc/82/57/87/568825787.db2.gz OGCWEZYZTQOMKL-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN Cc1[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000085597994 568825938 /nfs/dbraw/zinc/82/59/38/568825938.db2.gz UIUIWWLBNDIONM-UHFFFAOYSA-N 0 0 445.463 3.957 50 0 IHAARN CCOc1cc(CNC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000015782470 568826318 /nfs/dbraw/zinc/82/63/18/568826318.db2.gz JICNPZKWOVUSRQ-IBGZPJMESA-N 0 0 426.513 3.552 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2CCN(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000015782472 568826335 /nfs/dbraw/zinc/82/63/35/568826335.db2.gz JICNPZKWOVUSRQ-LJQANCHMSA-N 0 0 426.513 3.552 50 0 IHAARN C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Br)cc3)N2C1=O ZINC000015783278 568826528 /nfs/dbraw/zinc/82/65/28/568826528.db2.gz AOGXKRJMTKFNEJ-LLVKDONJSA-N 0 0 443.326 3.799 50 0 IHAARN C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(Br)cc3)N2C1=O ZINC000015783276 568826531 /nfs/dbraw/zinc/82/65/31/568826531.db2.gz AOGXKRJMTKFNEJ-NSHDSACASA-N 0 0 443.326 3.799 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000085642430 568828947 /nfs/dbraw/zinc/82/89/47/568828947.db2.gz RQFDKBVHYPYJOG-UHFFFAOYSA-N 0 0 430.961 3.653 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(OC)cc4)o3)n2)cc1 ZINC000085643884 568829076 /nfs/dbraw/zinc/82/90/76/568829076.db2.gz NWPWXZOGHNHRRW-UHFFFAOYSA-N 0 0 426.450 3.988 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@H]1CCCO1 ZINC000085704115 568835406 /nfs/dbraw/zinc/83/54/06/568835406.db2.gz FVPLPWNFIMUOCD-OAHLLOKOSA-N 0 0 437.525 3.863 50 0 IHAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCc1cccnc1 ZINC000085878567 568838498 /nfs/dbraw/zinc/83/84/98/568838498.db2.gz BNJYWWUOVNSIKV-UHFFFAOYSA-N 0 0 449.514 3.676 50 0 biogenic IHAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCCSc1ccccc1 ZINC000015832886 568842195 /nfs/dbraw/zinc/84/21/95/568842195.db2.gz YELGGMRUBAFBJZ-FQEVSTJZSA-N 0 0 445.566 3.867 50 0 IHAARN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025691585 568842528 /nfs/dbraw/zinc/84/25/28/568842528.db2.gz GLTFEOBFYYHUIV-VXKWHMMOSA-N 0 0 438.524 3.672 50 0 IHAARN O=C(CSC(=S)N1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000045067880 568843147 /nfs/dbraw/zinc/84/31/47/568843147.db2.gz JUICZQJITVKXJM-QGZVFWFLSA-N 0 0 449.598 3.915 50 0 IHAARN Cc1ccc(OCCSc2nnc(Cc3c(C)nc4c(C)cccn4c3=O)n2C)cc1 ZINC000015859249 568847128 /nfs/dbraw/zinc/84/71/28/568847128.db2.gz QBCSKSIQYBXGLM-UHFFFAOYSA-N 0 0 435.553 3.510 50 0 IHAARN C[C@H](NC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000015864928 568850295 /nfs/dbraw/zinc/85/02/95/568850295.db2.gz VJTGUURXZONXHA-SFHVURJKSA-N 0 0 427.570 3.562 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000015864540 568850332 /nfs/dbraw/zinc/85/03/32/568850332.db2.gz FWSPPJOWCYUABJ-UHFFFAOYSA-N 0 0 448.541 3.728 50 0 IHAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(NC(C)=O)cc2)cs1 ZINC000015880772 568854263 /nfs/dbraw/zinc/85/42/63/568854263.db2.gz BPFRJDZUDSISBE-UHFFFAOYSA-N 0 0 439.497 3.935 50 0 IHAARN Cc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000015912523 568858626 /nfs/dbraw/zinc/85/86/26/568858626.db2.gz OLKROGNEWWASEX-UHFFFAOYSA-N 0 0 444.336 3.680 50 0 IHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000016013256 568862891 /nfs/dbraw/zinc/86/28/91/568862891.db2.gz YTHPSGFHTPDZEX-CQSZACIVSA-N 0 0 429.926 3.919 50 0 IHAARN C[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 ZINC000016020093 568863489 /nfs/dbraw/zinc/86/34/89/568863489.db2.gz RONAVVNVXVQDKC-FOMLIJIXSA-N 0 0 441.597 3.546 50 0 IHAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1cccs1)NCc1ccccc1 ZINC000006180957 568867614 /nfs/dbraw/zinc/86/76/14/568867614.db2.gz WVYXJXAQIKFKFN-UHFFFAOYSA-N 0 0 443.575 3.743 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1 ZINC000012938584 568867886 /nfs/dbraw/zinc/86/78/86/568867886.db2.gz JUOMVNOMWBQBDW-IBGZPJMESA-N 0 0 429.524 3.972 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000012942484 568870357 /nfs/dbraw/zinc/87/03/57/568870357.db2.gz LKBBWFSMVWJJKI-UHFFFAOYSA-N 0 0 441.959 3.703 50 0 IHAARN Cc1sc2[nH]c([C@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946255 568871072 /nfs/dbraw/zinc/87/10/72/568871072.db2.gz HAMZKWOORWGIQF-SJKOYZFVSA-N 0 0 425.457 3.921 50 0 IHAARN O=C(COc1ccc(Br)cc1F)NCCc1nccn1Cc1ccccc1 ZINC000026214978 568875814 /nfs/dbraw/zinc/87/58/14/568875814.db2.gz VZISWLHNGFPJIS-UHFFFAOYSA-N 0 0 432.293 3.571 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000026289684 568876416 /nfs/dbraw/zinc/87/64/16/568876416.db2.gz JQMQNYWDTALXDU-FQEVSTJZSA-N 0 0 425.554 3.752 50 0 IHAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2cccs2)n1 ZINC000575609623 568878923 /nfs/dbraw/zinc/87/89/23/568878923.db2.gz DOYALJXEGAHUBY-MRXNPFEDSA-N 0 0 436.459 3.925 50 0 IHAARN COc1ccc(Br)c(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c1 ZINC000575614024 568879920 /nfs/dbraw/zinc/87/99/20/568879920.db2.gz ZIIXLOOFXAGXEQ-OAQYLSRUSA-N 0 0 434.330 3.502 50 0 IHAARN CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000026542321 568880323 /nfs/dbraw/zinc/88/03/23/568880323.db2.gz NFURPIXGCXFKST-UHFFFAOYSA-N 0 0 431.816 3.702 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000006237756 568880712 /nfs/dbraw/zinc/88/07/12/568880712.db2.gz GKTLXYHFVCTQGI-SQWSFHKJSA-N 0 0 438.574 3.593 50 0 IHAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O ZINC000009478685 568883504 /nfs/dbraw/zinc/88/35/04/568883504.db2.gz QAATYARHOTXNCP-QHCPKHFHSA-N 0 0 428.460 3.663 50 0 IHAARN Cc1c(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cnn1-c1ccccc1 ZINC000090504276 568886490 /nfs/dbraw/zinc/88/64/90/568886490.db2.gz XTFPZWFARPGWJW-UHFFFAOYSA-N 0 0 427.508 3.936 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102759237 568889144 /nfs/dbraw/zinc/88/91/44/568889144.db2.gz IZFKBBWLZQVYJB-DNVJHFABSA-N 0 0 445.450 3.835 50 0 IHAARN Cc1csc(SCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 ZINC000090608115 568890927 /nfs/dbraw/zinc/89/09/27/568890927.db2.gz AEZATPXXUISZTO-INIZCTEOSA-N 0 0 433.574 3.974 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSC2=NCCS2)CC1 ZINC000090608326 568891206 /nfs/dbraw/zinc/89/12/06/568891206.db2.gz QFDQTYAEOXACGZ-HNNXBMFYSA-N 0 0 438.018 3.768 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CSc4nc(C(C)(C)C)cc(=O)n4C3)sc2c1 ZINC000090609715 568891550 /nfs/dbraw/zinc/89/15/50/568891550.db2.gz YOOJGWCBVLSGMG-GFCCVEGCSA-N 0 0 444.582 3.910 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1cccc(Cl)c1 ZINC000012981203 568894869 /nfs/dbraw/zinc/89/48/69/568894869.db2.gz DCTFYWYOIWKCCX-UHFFFAOYSA-N 0 0 425.842 3.705 50 0 IHAARN CCn1c(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)nnc1-c1ccco1 ZINC000023866627 568895389 /nfs/dbraw/zinc/89/53/89/568895389.db2.gz OQEVXXOJBLRRLW-UXBLZVDNSA-N 0 0 437.569 3.508 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000031662567 568895636 /nfs/dbraw/zinc/89/56/36/568895636.db2.gz VTKQOISJQVBZHO-UHFFFAOYSA-N 0 0 442.324 3.831 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC000013003140 568898523 /nfs/dbraw/zinc/89/85/23/568898523.db2.gz HGLHBDWJLGKBST-ZDUSSCGKSA-N 0 0 443.388 3.858 50 0 IHAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013008811 568899751 /nfs/dbraw/zinc/89/97/51/568899751.db2.gz QNEYPPAZAQOMJV-UHFFFAOYSA-N 0 0 444.457 3.858 50 0 IHAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000013008969 568899762 /nfs/dbraw/zinc/89/97/62/568899762.db2.gz JQTBGQJCLDPBDW-JOCHJYFZSA-N 0 0 437.540 3.815 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 ZINC000100821209 568900286 /nfs/dbraw/zinc/90/02/86/568900286.db2.gz LHUSZDQTPUOKGJ-LBNMDVIHSA-N 0 0 443.594 3.934 50 0 IHAARN Cn1c(=O)c2c(-c3cccs3)csc2nc1SCc1nnnn1-c1ccccc1 ZINC000013012785 568901247 /nfs/dbraw/zinc/90/12/47/568901247.db2.gz BMJAPFZAWVBXNF-UHFFFAOYSA-N 0 0 438.563 3.992 50 0 IHAARN CCCNC(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC ZINC000013018367 568901768 /nfs/dbraw/zinc/90/17/68/568901768.db2.gz IISVMEAPHOHHAN-AWEZNQCLSA-N 0 0 431.583 3.778 50 0 IHAARN Cc1ccc(-c2nc(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)co2)cc1 ZINC000013017923 568901779 /nfs/dbraw/zinc/90/17/79/568901779.db2.gz USWMBNAGJPCVDI-UHFFFAOYSA-N 0 0 429.517 3.686 50 0 IHAARN COc1cc([C@H](CC(=O)NCc2cccc3[nH]ccc32)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730479 568904141 /nfs/dbraw/zinc/90/41/41/568904141.db2.gz KRMMQXPPACUVJQ-SFHVURJKSA-N 0 0 448.475 3.688 50 0 biogenic IHAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000104371333 568904473 /nfs/dbraw/zinc/90/44/73/568904473.db2.gz JWHWLEDZXWALHO-SJPXOZHESA-N 0 0 435.505 3.858 50 0 IHAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(O)c3)C2)c1 ZINC000089274558 568909904 /nfs/dbraw/zinc/90/99/04/568909904.db2.gz OSRIRUMKKLFLLQ-FQEVSTJZSA-N 0 0 439.493 3.738 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238924264 568910307 /nfs/dbraw/zinc/91/03/07/568910307.db2.gz RMZWPBIXXJEQBB-NJDAHSKKSA-N 0 0 432.432 3.507 50 0 IHAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245254559 568913457 /nfs/dbraw/zinc/91/34/57/568913457.db2.gz AFBKHIUFLLKDFT-JYEMYBHOSA-N 0 0 431.536 3.834 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245312296 568914769 /nfs/dbraw/zinc/91/47/69/568914769.db2.gz SZVXYWDZONQOJK-OZIGNCPNSA-N 0 0 431.536 3.835 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC(C)(C)OC4)cc1 ZINC000001828960 568915758 /nfs/dbraw/zinc/91/57/58/568915758.db2.gz GTBVAIGNYZJQHG-UHFFFAOYSA-N 0 0 430.555 3.864 50 0 IHAARN CCc1ccccc1NC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035753022 568919854 /nfs/dbraw/zinc/91/98/54/568919854.db2.gz FQPDGOQLTQQVGG-CYBMUJFWSA-N 0 0 425.514 3.925 50 0 IHAARN COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccccc1OC ZINC000089334943 568920532 /nfs/dbraw/zinc/92/05/32/568920532.db2.gz QMCZCNXGXWOQOK-FGZHOGPDSA-N 0 0 438.568 3.717 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 ZINC000001985038 568924155 /nfs/dbraw/zinc/92/41/55/568924155.db2.gz VPLGBRBDMUPQPA-UHFFFAOYSA-N 0 0 442.471 3.895 50 0 IHAARN COc1ccc(Nc2nc(N=NCc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 ZINC000252607869 568926077 /nfs/dbraw/zinc/92/60/77/568926077.db2.gz HFVGIZSCWOIHEC-UHFFFAOYSA-N 0 0 439.907 3.560 50 0 IHAARN CC(C)C(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450871 568928803 /nfs/dbraw/zinc/92/88/03/568928803.db2.gz WJKSPIKJVWIQOW-UHFFFAOYSA-N 0 0 426.590 3.973 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)c1 ZINC000064566034 568932858 /nfs/dbraw/zinc/93/28/58/568932858.db2.gz HYCXFDCZLZCBTR-UHFFFAOYSA-N 0 0 429.517 3.502 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000064566209 568933053 /nfs/dbraw/zinc/93/30/53/568933053.db2.gz VXWIAWKMMYBZEV-UHFFFAOYSA-N 0 0 447.926 3.842 50 0 IHAARN Cc1ccc(NC(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1 ZINC000064566456 568933176 /nfs/dbraw/zinc/93/31/76/568933176.db2.gz FZLQTWBELAXVHE-UHFFFAOYSA-N 0 0 428.496 3.960 50 0 IHAARN CCOc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1 ZINC000064566359 568933215 /nfs/dbraw/zinc/93/32/15/568933215.db2.gz CNGZLSLEKVNFJJ-UHFFFAOYSA-N 0 0 443.507 3.658 50 0 IHAARN Cc1ccc(-c2nn3c(nc(CNC(=O)[C@H](C)Oc4cccc(C)c4)cc3=O)s2)cc1 ZINC000064588600 568934618 /nfs/dbraw/zinc/93/46/18/568934618.db2.gz HNFDEPMJKTZAAV-INIZCTEOSA-N 0 0 434.521 3.519 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2=O)c1 ZINC000064593038 568935641 /nfs/dbraw/zinc/93/56/41/568935641.db2.gz KMWSUYLDKVXCAZ-UHFFFAOYSA-N 0 0 439.928 3.881 50 0 IHAARN COc1ccccc1-n1ccn2c(SCC(=O)c3cc(C)c(C)cc3C)nnc2c1=O ZINC000064593234 568935784 /nfs/dbraw/zinc/93/57/84/568935784.db2.gz YMTUHQBUHZNMTC-UHFFFAOYSA-N 0 0 434.521 3.789 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)c1ccc(Br)cc1 ZINC000064593386 568935856 /nfs/dbraw/zinc/93/58/56/568935856.db2.gz QCKRZWSKXPSAEY-UHFFFAOYSA-N 0 0 441.310 3.618 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3c[nH]cn3)Cc3ccccc3)c(=O)oc2c1 ZINC000089568294 568937704 /nfs/dbraw/zinc/93/77/04/568937704.db2.gz WCYSFFOHDFRCAB-IBGZPJMESA-N 0 0 445.519 3.736 50 0 IHAARN O=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1ccccc1F ZINC000064605103 568939090 /nfs/dbraw/zinc/93/90/90/568939090.db2.gz BRULJMAMKKOIGH-UHFFFAOYSA-N 0 0 442.450 3.940 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccccc2F)c1=O ZINC000064605083 568939102 /nfs/dbraw/zinc/93/91/02/568939102.db2.gz LPAXKMHJLFAOGK-UHFFFAOYSA-N 0 0 428.851 3.690 50 0 IHAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)NC(C)(C)C)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005916 568942000 /nfs/dbraw/zinc/94/20/00/568942000.db2.gz IRXPDLXQJWHJLU-UHFFFAOYSA-N 0 0 445.608 3.537 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665417 568942776 /nfs/dbraw/zinc/94/27/76/568942776.db2.gz QYEKKOLUMLHUHQ-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccccc4Cl)c(=O)n3n2)cc1 ZINC000064710090 568944691 /nfs/dbraw/zinc/94/46/91/568944691.db2.gz NHXDTJCIBDCVSH-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN CCN1c2ccc(C(=O)Nc3cccc(C(=O)OC)c3)cc2-c2ccccc2S1(=O)=O ZINC000064762108 568952676 /nfs/dbraw/zinc/95/26/76/568952676.db2.gz BRBLFHFTXSFLTG-UHFFFAOYSA-N 0 0 436.489 3.921 50 0 IHAARN CCN1c2ccc(C(=O)Nc3ccccc3C(=O)OC)cc2-c2ccccc2S1(=O)=O ZINC000064762070 568952755 /nfs/dbraw/zinc/95/27/55/568952755.db2.gz NNYJZTBPZPWIJN-UHFFFAOYSA-N 0 0 436.489 3.921 50 0 IHAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)CC(C)C)cs2)c1 ZINC000036106311 568953772 /nfs/dbraw/zinc/95/37/72/568953772.db2.gz XVUKZWJBFADNBV-UHFFFAOYSA-N 0 0 431.602 3.737 50 0 IHAARN Cc1csc2nc(COc3ccccc3NC(=O)COc3ccccc3C)cc(=O)n12 ZINC000064775668 568954698 /nfs/dbraw/zinc/95/46/98/568954698.db2.gz GFAOWGGSBFNZOE-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788260 568956611 /nfs/dbraw/zinc/95/66/11/568956611.db2.gz QAHJSPPVYVQUAJ-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2ccc(Cl)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788230 568956626 /nfs/dbraw/zinc/95/66/26/568956626.db2.gz JUWRNAICGMZFSH-JOCHJYFZSA-N 0 0 435.911 3.787 50 0 IHAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119535 568956810 /nfs/dbraw/zinc/95/68/10/568956810.db2.gz ROERUMLBSLGFAU-OAQYLSRUSA-N 0 0 442.581 3.528 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036120755 568957498 /nfs/dbraw/zinc/95/74/98/568957498.db2.gz XXXHTGINZXUIDG-FQEVSTJZSA-N 0 0 448.560 3.523 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)COC ZINC000036120891 568957717 /nfs/dbraw/zinc/95/77/17/568957717.db2.gz DXCXJIWIJWYLJG-OXQOHEQNSA-N 0 0 448.560 3.666 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123604 568958729 /nfs/dbraw/zinc/95/87/29/568958729.db2.gz DFSBGZSQJHCOIO-IBGZPJMESA-N 0 0 431.533 3.586 50 0 IHAARN Cc1cc(Nc2cccc(C(=O)NCc3ccco3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791631 568958982 /nfs/dbraw/zinc/95/89/82/568958982.db2.gz OQYWDWUYFZDJMI-UHFFFAOYSA-N 0 0 425.452 3.761 50 0 IHAARN CN(C(=O)CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)C1CCCCC1 ZINC000064792614 568959348 /nfs/dbraw/zinc/95/93/48/568959348.db2.gz BKVIMLSJNGBJFB-HSZRJFAPSA-N 0 0 428.540 3.915 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c1 ZINC000064801050 568960705 /nfs/dbraw/zinc/96/07/05/568960705.db2.gz ZLPLIBXLSMIRTO-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN COc1cccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146493 568962811 /nfs/dbraw/zinc/96/28/11/568962811.db2.gz VSUOEWAHGMWLOZ-UPVQGACJSA-N 0 0 426.557 3.724 50 0 IHAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)c(C)o2)cc1 ZINC000064817884 568964913 /nfs/dbraw/zinc/96/49/13/568964913.db2.gz HIUYEKMVJKUCAE-UHFFFAOYSA-N 0 0 443.525 3.828 50 0 IHAARN CC(C)OC[C@H](O)CN(Cc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156639 568965392 /nfs/dbraw/zinc/96/53/92/568965392.db2.gz LEXCZYIHPUYXRE-GOSISDBHSA-N 0 0 441.597 3.652 50 0 IHAARN Cc1ccccc1OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)C ZINC000036159513 568967089 /nfs/dbraw/zinc/96/70/89/568967089.db2.gz XSYKZUNFAQNVAY-KRWDZBQOSA-N 0 0 441.597 3.680 50 0 IHAARN COc1ccc(NC(=O)N(C)CCc2noc(COc3ccc(F)cc3)n2)c(OC)c1 ZINC000064840513 568969931 /nfs/dbraw/zinc/96/99/31/568969931.db2.gz MWRQEOAJCLHEQZ-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000064841844 568970498 /nfs/dbraw/zinc/97/04/98/568970498.db2.gz WPZSYNISUBJSNH-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842600 568970941 /nfs/dbraw/zinc/97/09/41/568970941.db2.gz JHPXYSUMQHIULG-HXUWFJFHSA-N 0 0 446.507 3.944 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842663 568971002 /nfs/dbraw/zinc/97/10/02/568971002.db2.gz DWMDQHZDDQCPFR-UHFFFAOYSA-N 0 0 432.480 3.878 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)CC1 ZINC000064845411 568972042 /nfs/dbraw/zinc/97/20/42/568972042.db2.gz LUUZNEZDIRDXEK-UHFFFAOYSA-N 0 0 447.582 3.848 50 0 IHAARN COc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)cc1OC ZINC000064847259 568972232 /nfs/dbraw/zinc/97/22/32/568972232.db2.gz MYAYONTZRPCVGL-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208449 568973447 /nfs/dbraw/zinc/97/34/47/568973447.db2.gz DWDGXKCNGANBFV-IIBYNOLFSA-N 0 0 433.568 3.514 50 0 IHAARN CC(C)CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036209067 568973583 /nfs/dbraw/zinc/97/35/83/568973583.db2.gz GIDBHNHCYHJXNJ-UWJYYQICSA-N 0 0 433.618 3.532 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036209471 568973758 /nfs/dbraw/zinc/97/37/58/568973758.db2.gz TTXXFHMBHNMSGU-DYESRHJHSA-N 0 0 441.597 3.622 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862123 568973822 /nfs/dbraw/zinc/97/38/22/568973822.db2.gz SWTNADXKCXCKMH-UHFFFAOYSA-N 0 0 443.569 3.579 50 0 IHAARN COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1 ZINC000064866133 568974245 /nfs/dbraw/zinc/97/42/45/568974245.db2.gz KYDPYCYHLYRURG-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000064866638 568974650 /nfs/dbraw/zinc/97/46/50/568974650.db2.gz CXHUYDGCEKNNHE-UHFFFAOYSA-N 0 0 444.509 3.860 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C(C)C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210786 568975129 /nfs/dbraw/zinc/97/51/29/568975129.db2.gz RSRWKZQHVBHUSB-XXBNENTESA-N 0 0 429.605 3.539 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036212168 568976055 /nfs/dbraw/zinc/97/60/55/568976055.db2.gz QCKJMVDZOOLULG-CVDCTZTESA-N 0 0 443.632 3.929 50 0 IHAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212724 568976618 /nfs/dbraw/zinc/97/66/18/568976618.db2.gz DYIPQHHYCHBMJK-DYESRHJHSA-N 0 0 441.597 3.560 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212854 568976649 /nfs/dbraw/zinc/97/66/49/568976649.db2.gz XOZZMOYIYPFQIR-XMMPIXPASA-N 0 0 449.595 3.823 50 0 IHAARN CCc1nc2ccccc2c(=O)n1Cc1noc([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000064867554 568977151 /nfs/dbraw/zinc/97/71/51/568977151.db2.gz IQSAZKJVCYLZGI-KRWDZBQOSA-N 0 0 443.507 3.528 50 0 IHAARN CC(C)C(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC2CC2)cc1 ZINC000036215336 568977437 /nfs/dbraw/zinc/97/74/37/568977437.db2.gz FKZWVSUJCVWVTQ-SFTDATJTSA-N 0 0 439.487 3.761 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCCO1)OC1(CCCCC1)CC3 ZINC000006764477 568978757 /nfs/dbraw/zinc/97/87/57/568978757.db2.gz FCRKERQBCKBILM-SFHVURJKSA-N 0 0 425.525 3.967 50 0 IHAARN Cc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(C)c1 ZINC000064889123 568980227 /nfs/dbraw/zinc/98/02/27/568980227.db2.gz YNQWEZMKBWBBIU-UHFFFAOYSA-N 0 0 440.569 3.857 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000064889486 568980921 /nfs/dbraw/zinc/98/09/21/568980921.db2.gz GOBULBGKCBAVCH-YIXHJXPBSA-N 0 0 430.508 3.985 50 0 IHAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3C(C)C)no1 ZINC000064890780 568981270 /nfs/dbraw/zinc/98/12/70/568981270.db2.gz GNOWXAZTITUSNR-UHFFFAOYSA-N 0 0 426.860 3.862 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036250537 568983842 /nfs/dbraw/zinc/98/38/42/568983842.db2.gz NVGNUOUSIAKWBE-AREMUKBSSA-N 0 0 445.607 3.897 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036252339 568984023 /nfs/dbraw/zinc/98/40/23/568984023.db2.gz KHDXUUJIHNRFBP-UPVQGACJSA-N 0 0 435.568 3.790 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251942 568984070 /nfs/dbraw/zinc/98/40/70/568984070.db2.gz SEHGUTLQMZLRCB-OXQOHEQNSA-N 0 0 439.522 3.937 50 0 IHAARN COc1ccccc1CNC(=O)CCc1c(C)nn(-c2cc(N3CCCCC3)ncn2)c1C ZINC000064924788 568986477 /nfs/dbraw/zinc/98/64/77/568986477.db2.gz NMIOQCDFYXXFJU-UHFFFAOYSA-N 0 0 448.571 3.527 50 0 IHAARN Cc1cccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000064927998 568986744 /nfs/dbraw/zinc/98/67/44/568986744.db2.gz IIRROKYUTWUCIP-UHFFFAOYSA-N 0 0 436.943 3.727 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927656 568986767 /nfs/dbraw/zinc/98/67/67/568986767.db2.gz SGIFFCGEENCRKY-LJQANCHMSA-N 0 0 448.542 3.726 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc(N3CCN(C(=O)NC4CCCC4)CC3)c2=O)cc1 ZINC000064926334 568986964 /nfs/dbraw/zinc/98/69/64/568986964.db2.gz MJKZMHIKUXELPV-UHFFFAOYSA-N 0 0 445.567 3.527 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928515 568987593 /nfs/dbraw/zinc/98/75/93/568987593.db2.gz GRURJVFETDGEOY-KRWDZBQOSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928790 568987843 /nfs/dbraw/zinc/98/78/43/568987843.db2.gz SLJYIPAMXGJTEO-HNNXBMFYSA-N 0 0 426.879 3.880 50 0 IHAARN Cc1ccccc1-c1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ncn1 ZINC000064929268 568988158 /nfs/dbraw/zinc/98/81/58/568988158.db2.gz FTKPZGMKHFNMKV-UHFFFAOYSA-N 0 0 428.945 3.616 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064929892 568988351 /nfs/dbraw/zinc/98/83/51/568988351.db2.gz WSNWLEYYDIOCTO-KRWDZBQOSA-N 0 0 428.464 3.975 50 0 IHAARN O[C@@H](COCc1ccco1)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679395 568991171 /nfs/dbraw/zinc/99/11/71/568991171.db2.gz DWKUTFMTUVEFPC-GGAORHGYSA-N 0 0 438.499 3.992 50 0 IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)N(CC)c2cccc(C)c2)c1=O ZINC000064942345 568991328 /nfs/dbraw/zinc/99/13/28/568991328.db2.gz ZFLNSEWLGVSWRY-UHFFFAOYSA-N 0 0 436.537 3.544 50 0 IHAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681108 568991452 /nfs/dbraw/zinc/99/14/52/568991452.db2.gz CYFFUQVDXORKKS-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(NCc1cccs1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681158 568991678 /nfs/dbraw/zinc/99/16/78/568991678.db2.gz RUAUTRVJSTXSJF-UHFFFAOYSA-N 0 0 432.480 3.828 50 0 IHAARN Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000169681240 568992804 /nfs/dbraw/zinc/99/28/04/568992804.db2.gz MQEAOJZRODEMBK-UHFFFAOYSA-N 0 0 448.479 3.519 50 0 IHAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C[C@H](O)COC ZINC000036302927 568993630 /nfs/dbraw/zinc/99/36/30/568993630.db2.gz IXYIGZZAFAEXJV-NRFANRHFSA-N 0 0 439.556 3.683 50 0 IHAARN Cc1ccc(C)c(Cn2nc3n(c4ccsc4c(=O)n3CCc3ccccc3)c2=O)c1 ZINC000064946331 568994208 /nfs/dbraw/zinc/99/42/08/568994208.db2.gz ABXPYCDSWCYSQF-UHFFFAOYSA-N 0 0 430.533 3.780 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1-c1nc(-c2cccs2)no1 ZINC000064948513 568994465 /nfs/dbraw/zinc/99/44/65/568994465.db2.gz MDXXWRURTYOQNM-UHFFFAOYSA-N 0 0 431.495 3.541 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4cccc(C)c4)C3=O)CC2)cc1 ZINC000064950920 568996166 /nfs/dbraw/zinc/99/61/66/568996166.db2.gz BTTIGTXHHYKHPX-UHFFFAOYSA-N 0 0 441.597 3.648 50 0 IHAARN COCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)CC(C)C ZINC000036314277 568998929 /nfs/dbraw/zinc/99/89/29/568998929.db2.gz ZUGGXDFMZLHBLI-UHFFFAOYSA-N 0 0 429.561 3.898 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3ccc(C)cc3)cc2C[C@H]1C ZINC000064959403 568999656 /nfs/dbraw/zinc/99/96/56/568999656.db2.gz WZPNVWXMBBOYQI-GOSISDBHSA-N 0 0 437.565 3.621 50 0 IHAARN CCOc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 ZINC000064960777 569000490 /nfs/dbraw/zinc/00/04/90/569000490.db2.gz VHKDTYIDCUEYDL-UHFFFAOYSA-N 0 0 443.525 3.712 50 0 IHAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n(C)c2)CC1 ZINC000064964005 569000821 /nfs/dbraw/zinc/00/08/21/569000821.db2.gz ZWRGCRKAJLBTJC-UHFFFAOYSA-N 0 0 445.463 3.597 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1 ZINC000064965630 569000868 /nfs/dbraw/zinc/00/08/68/569000868.db2.gz JUALBCPRAXYUMP-UHFFFAOYSA-N 0 0 439.471 3.777 50 0 IHAARN CN(Cc1ccccc1)C(=O)CN1c2ccccc2N(C(=O)Nc2ccccc2)CC1=O ZINC000064971347 569076114 /nfs/dbraw/zinc/07/61/14/569076114.db2.gz VCPMUUWCJVZSMC-UHFFFAOYSA-N 0 0 428.492 3.730 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2C)c1 ZINC000064972439 569076919 /nfs/dbraw/zinc/07/69/19/569076919.db2.gz QBQOSLCDDLONQE-XMMPIXPASA-N 0 0 434.561 3.735 50 0 IHAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)COc2ccccc2C)c1 ZINC000064976717 569077184 /nfs/dbraw/zinc/07/71/84/569077184.db2.gz HBCJEDWPGBAQHM-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F ZINC000036343017 569079671 /nfs/dbraw/zinc/07/96/71/569079671.db2.gz LXPJIBQIFKAYPI-PKTZIBPZSA-N 0 0 437.515 3.921 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985266 569081876 /nfs/dbraw/zinc/08/18/76/569081876.db2.gz GLTWHFKTFTXQKK-HXUWFJFHSA-N 0 0 428.897 3.935 50 0 IHAARN CCC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986197 569081893 /nfs/dbraw/zinc/08/18/93/569081893.db2.gz KEQTXUYEFOUTME-YWZLYKJASA-N 0 0 436.961 3.910 50 0 IHAARN O=S(=O)(c1cccc(-c2nnc(-c3ccccc3Br)o2)c1)N1CCCC1 ZINC000064987842 569082708 /nfs/dbraw/zinc/08/27/08/569082708.db2.gz IEIITNCJQDRXBH-UHFFFAOYSA-N 0 0 434.315 3.951 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)NCc4cccc(OC)c4)cc32)cc1 ZINC000064990787 569083477 /nfs/dbraw/zinc/08/34/77/569083477.db2.gz SYNZFDXCFXUUEL-UHFFFAOYSA-N 0 0 445.519 3.906 50 0 IHAARN O=C(NCc1ccc(F)cc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988800 569083705 /nfs/dbraw/zinc/08/37/05/569083705.db2.gz MSGUAACXSQVICG-UHFFFAOYSA-N 0 0 428.483 3.577 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 ZINC000064999385 569085790 /nfs/dbraw/zinc/08/57/90/569085790.db2.gz WFCRKRLBKKGPHY-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN O=C(c1nnn(Cc2ccccc2Cl)c1-n1cccc1)N1CCN(c2ccccc2)CC1 ZINC000064999311 569085798 /nfs/dbraw/zinc/08/57/98/569085798.db2.gz FMLOUJMFMYYJMM-UHFFFAOYSA-N 0 0 446.942 3.733 50 0 IHAARN CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1)C1CCCCC1 ZINC000064999685 569086314 /nfs/dbraw/zinc/08/63/14/569086314.db2.gz ZHPGWVIOBNEDAS-UHFFFAOYSA-N 0 0 448.610 3.841 50 0 IHAARN COc1cc(OC)c(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1Cl ZINC000036360514 569086469 /nfs/dbraw/zinc/08/64/69/569086469.db2.gz VCQOATPSVUYFCC-UHFFFAOYSA-N 0 0 439.855 3.961 50 0 IHAARN COCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006236 569087271 /nfs/dbraw/zinc/08/72/71/569087271.db2.gz KMZMQIBDAMIYIC-UHFFFAOYSA-N 0 0 435.524 3.808 50 0 IHAARN CCOCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000065006699 569087454 /nfs/dbraw/zinc/08/74/54/569087454.db2.gz UCJAGSXQRJMLGB-UHFFFAOYSA-N 0 0 429.586 3.904 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000065007362 569087593 /nfs/dbraw/zinc/08/75/93/569087593.db2.gz ZHMWHQQFEGZWCP-UHFFFAOYSA-N 0 0 430.570 3.615 50 0 IHAARN COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C ZINC000036370119 569088580 /nfs/dbraw/zinc/08/85/80/569088580.db2.gz FZPAJORFQXXGNQ-UHFFFAOYSA-N 0 0 446.511 3.933 50 0 biogenic IHAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065020994 569088723 /nfs/dbraw/zinc/08/87/23/569088723.db2.gz OSVHABNCEAOTNH-UHFFFAOYSA-N 0 0 444.553 3.944 50 0 IHAARN CCc1cccc(CC)c1NC(=O)[C@H](CC)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026781 569090036 /nfs/dbraw/zinc/09/00/36/569090036.db2.gz LRJUSKQKJLHXJE-FQEVSTJZSA-N 0 0 448.571 3.891 50 0 IHAARN CCOc1ccccc1CNC(=O)c1nc2c3ccccc3oc2c(N2CCOCC2)n1 ZINC000065024989 569090245 /nfs/dbraw/zinc/09/02/45/569090245.db2.gz FIPRPJGISIWFDL-UHFFFAOYSA-N 0 0 432.480 3.541 50 0 IHAARN COCCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027378 569090298 /nfs/dbraw/zinc/09/02/98/569090298.db2.gz MWNHHSQKCRCAQH-UHFFFAOYSA-N 0 0 429.860 3.536 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)Nc1cccc(F)c1 ZINC000065025896 569090848 /nfs/dbraw/zinc/09/08/48/569090848.db2.gz AHWFHVAEZIFGKB-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4onc(C)c4C)s3)CC2)cc1 ZINC000065031312 569091504 /nfs/dbraw/zinc/09/15/04/569091504.db2.gz DKKMHWFOTFVWOK-UHFFFAOYSA-N 0 0 445.566 3.733 50 0 IHAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)n1 ZINC000169749824 569091949 /nfs/dbraw/zinc/09/19/49/569091949.db2.gz ADWIWNQIHNTLNL-UHFFFAOYSA-N 0 0 445.321 3.520 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)c1 ZINC000065034572 569092065 /nfs/dbraw/zinc/09/20/65/569092065.db2.gz UIAPGGHMHSIDMJ-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)cc1C ZINC000065034689 569092283 /nfs/dbraw/zinc/09/22/83/569092283.db2.gz CYFXMNHEGJLEET-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1cccc2c1ncn(C1CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC1)c2=O ZINC000065034732 569092311 /nfs/dbraw/zinc/09/23/11/569092311.db2.gz FGOUWCPMFLYLRJ-UHFFFAOYSA-N 0 0 439.581 3.929 50 0 IHAARN Cn1nc(C(=O)N2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c2ccccc21 ZINC000169753020 569093420 /nfs/dbraw/zinc/09/34/20/569093420.db2.gz BPUKAEJDRNTSIF-UHFFFAOYSA-N 0 0 434.931 3.969 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c(OC)c1 ZINC000169755696 569093554 /nfs/dbraw/zinc/09/35/54/569093554.db2.gz UUDLWHGXOBDXJM-MRXNPFEDSA-N 0 0 426.904 3.756 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc(OC)c4OC)C3)n[nH]2)cc1 ZINC000169753655 569093556 /nfs/dbraw/zinc/09/35/56/569093556.db2.gz CXXFSZFXMNYFCX-QGZVFWFLSA-N 0 0 436.512 3.501 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccccc4Br)C3)n[nH]2)cc1 ZINC000169753973 569093715 /nfs/dbraw/zinc/09/37/15/569093715.db2.gz GZUAVMHNONKZJN-OAHLLOKOSA-N 0 0 441.329 3.857 50 0 IHAARN CCc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1 ZINC000169754928 569093899 /nfs/dbraw/zinc/09/38/99/569093899.db2.gz KPCMDXAAXJIKGW-UHFFFAOYSA-N 0 0 428.330 3.925 50 0 IHAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 ZINC000169758952 569093963 /nfs/dbraw/zinc/09/39/63/569093963.db2.gz LYCMEDDDUJGRAU-QHCPKHFHSA-N 0 0 444.535 3.954 50 0 IHAARN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000169759048 569094051 /nfs/dbraw/zinc/09/40/51/569094051.db2.gz VTKDKEAOFYFFAK-QFIPXVFZSA-N 0 0 448.498 3.785 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)n2)cc1OC ZINC000169758230 569094389 /nfs/dbraw/zinc/09/43/89/569094389.db2.gz YZCINWNUPFGICJ-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)N(C(=O)Nc1ccccc1)CC2 ZINC000006870801 569094674 /nfs/dbraw/zinc/09/46/74/569094674.db2.gz PGGMUQWJCOWZFM-HXUWFJFHSA-N 0 0 425.529 3.997 50 0 IHAARN COc1ccccc1CNC(=O)CCc1nc2onc(C)c2c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000065056698 569094966 /nfs/dbraw/zinc/09/49/66/569094966.db2.gz ZJZKHAHMCISUFM-HOTGVXAUSA-N 0 0 437.544 3.666 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCC(C)C)C4)sc3n2)cc1 ZINC000006876801 569095559 /nfs/dbraw/zinc/09/55/59/569095559.db2.gz WBKBBEYPYYWDAU-QGZVFWFLSA-N 0 0 427.574 3.845 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cc(OC)cc(OC)c3)C2)c1 ZINC000065058866 569095666 /nfs/dbraw/zinc/09/56/66/569095666.db2.gz HZFZAUJKERRDHS-XMMPIXPASA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000065060190 569095847 /nfs/dbraw/zinc/09/58/47/569095847.db2.gz UNXBJOPXJVCMOU-UHFFFAOYSA-N 0 0 429.567 3.638 50 0 IHAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(F)cc1 ZINC000065062002 569096932 /nfs/dbraw/zinc/09/69/32/569096932.db2.gz XDAJHAUSEHYQBA-UHFFFAOYSA-N 0 0 430.954 3.648 50 0 IHAARN CC(C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063341 569097868 /nfs/dbraw/zinc/09/78/68/569097868.db2.gz QXUGRHDYHMFJRR-UHFFFAOYSA-N 0 0 429.473 3.952 50 0 IHAARN COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)cc1OC ZINC000169769185 569098043 /nfs/dbraw/zinc/09/80/43/569098043.db2.gz UQDQGWBAQJSRMS-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN COc1cc(OC)cc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1 ZINC000169769270 569098099 /nfs/dbraw/zinc/09/80/99/569098099.db2.gz CTZDDGZQRBJRBN-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cn2)c1 ZINC000036394701 569098593 /nfs/dbraw/zinc/09/85/93/569098593.db2.gz XVHZNUHCLGRVNZ-UHFFFAOYSA-N 0 0 425.510 3.792 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cn2nc(SC)sc2=S)CC1 ZINC000036393897 569098626 /nfs/dbraw/zinc/09/86/26/569098626.db2.gz DLJFCCXGPLBNBS-CQSZACIVSA-N 0 0 445.035 3.539 50 0 IHAARN COc1cc(OC)cc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075210 569099519 /nfs/dbraw/zinc/09/95/19/569099519.db2.gz BPQNQHOBJVFGJS-AREMUKBSSA-N 0 0 430.504 3.982 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000065077378 569100241 /nfs/dbraw/zinc/10/02/41/569100241.db2.gz FMUHAQNCAHPUMP-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c(C)c1 ZINC000065078259 569100524 /nfs/dbraw/zinc/10/05/24/569100524.db2.gz WYGSXPQDLAXKDC-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1F ZINC000065078350 569100556 /nfs/dbraw/zinc/10/05/56/569100556.db2.gz QYZVNKLTHZYKAV-CYBMUJFWSA-N 0 0 436.530 3.617 50 0 IHAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077975 569100713 /nfs/dbraw/zinc/10/07/13/569100713.db2.gz SVRWKJWSQUKUJG-AWEZNQCLSA-N 0 0 432.567 3.874 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1C ZINC000065077897 569100787 /nfs/dbraw/zinc/10/07/87/569100787.db2.gz OORLSSXTBVALFK-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN Cc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000065078066 569100904 /nfs/dbraw/zinc/10/09/04/569100904.db2.gz RSPDSXMMTUDJAG-OAHLLOKOSA-N 0 0 432.567 3.645 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)C1 ZINC000065080541 569101046 /nfs/dbraw/zinc/10/10/46/569101046.db2.gz SSRAEGSFQRMPRM-GDBMZVCRSA-N 0 0 427.574 3.930 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2cc(Br)ccc2[nH]1 ZINC000036398381 569101313 /nfs/dbraw/zinc/10/13/13/569101313.db2.gz JSBWRCRCOLEMRE-UHFFFAOYSA-N 0 0 434.315 3.623 50 0 IHAARN O=C1c2ccccc2[C@](O)(c2ccc(Br)cc2)N1Cc1cn2ccccc2n1 ZINC000036398468 569101351 /nfs/dbraw/zinc/10/13/51/569101351.db2.gz JPXWHGJTGJUJOJ-JOCHJYFZSA-N 0 0 434.293 3.946 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000169775287 569101759 /nfs/dbraw/zinc/10/17/59/569101759.db2.gz NSGSYACJRXQVGZ-QFIPXVFZSA-N 0 0 448.498 3.785 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(C)cc(C)c4)ccn3n2)cc1 ZINC000169775906 569101915 /nfs/dbraw/zinc/10/19/15/569101915.db2.gz HQLPLGVZGMILKB-UHFFFAOYSA-N 0 0 430.508 3.609 50 0 IHAARN CCOc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3F)c2-c2ccncc2)cc1 ZINC000065083085 569102207 /nfs/dbraw/zinc/10/22/07/569102207.db2.gz AJCVFEGBBIWXFW-UHFFFAOYSA-N 0 0 435.434 3.936 50 0 IHAARN O=C(c1cc(Cl)ccc1F)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778013 569102484 /nfs/dbraw/zinc/10/24/84/569102484.db2.gz VPSBKCNJWGZBKC-HNNXBMFYSA-N 0 0 438.850 3.875 50 0 IHAARN O=C(c1cc(F)ccc1F)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169780651 569103114 /nfs/dbraw/zinc/10/31/14/569103114.db2.gz KSSXXLTYEHWWQP-UHFFFAOYSA-N 0 0 436.422 3.751 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 ZINC000065096701 569103649 /nfs/dbraw/zinc/10/36/49/569103649.db2.gz FTQOEQCWIAWILM-VWLOTQADSA-N 0 0 441.531 3.562 50 0 IHAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(CNC(=O)C5CC5)s4)no3)CC2=O)cc1C ZINC000065097038 569103665 /nfs/dbraw/zinc/10/36/65/569103665.db2.gz VVRSPCGKGLOTTG-INIZCTEOSA-N 0 0 436.537 3.962 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccsc3)s2)cc1F ZINC000207967344 569104229 /nfs/dbraw/zinc/10/42/29/569104229.db2.gz JGDVBKVSQFANKQ-GOSISDBHSA-N 0 0 427.544 3.908 50 0 IHAARN CCOc1cc(CNC(=O)C[C@H]2COc3ccccc3NC2=O)cc(OCC)c1OCC ZINC000065098275 569104717 /nfs/dbraw/zinc/10/47/17/569104717.db2.gz OMKINZXPDXIJTG-KRWDZBQOSA-N 0 0 442.512 3.536 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2nc(-c3ccc(C)cc3)no2)n1C ZINC000065099896 569104806 /nfs/dbraw/zinc/10/48/06/569104806.db2.gz HWONATYMGGIAIS-UHFFFAOYSA-N 0 0 436.497 3.580 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2cn(C)nc2-c2ccc(C)cc2)n1C ZINC000065099338 569105060 /nfs/dbraw/zinc/10/50/60/569105060.db2.gz WZEDDANXAOPUPB-UHFFFAOYSA-N 0 0 448.552 3.930 50 0 IHAARN Cc1ccc(-c2noc(-c3nn(CC(=O)NCCCOC(C)C)c4ccccc43)n2)cc1 ZINC000065111299 569106384 /nfs/dbraw/zinc/10/63/84/569106384.db2.gz XWKLOHBLKILCCV-UHFFFAOYSA-N 0 0 433.512 3.993 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000036420502 569106502 /nfs/dbraw/zinc/10/65/02/569106502.db2.gz XDIKRBALKWNFBN-KCQAQPDRSA-N 0 0 436.961 3.911 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1 ZINC000065115271 569106692 /nfs/dbraw/zinc/10/66/92/569106692.db2.gz RCNQJPFSVGOOGJ-UHFFFAOYSA-N 0 0 429.498 3.653 50 0 IHAARN COc1cc(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)cc(OC)c1 ZINC000065115759 569106904 /nfs/dbraw/zinc/10/69/04/569106904.db2.gz QMDDOBRBRLYFRE-UHFFFAOYSA-N 0 0 445.497 3.735 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000065116292 569107316 /nfs/dbraw/zinc/10/73/16/569107316.db2.gz UIQVZBHHHRQJHK-UHFFFAOYSA-N 0 0 425.510 3.922 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1OC ZINC000065112000 569107960 /nfs/dbraw/zinc/10/79/60/569107960.db2.gz QVZGOGFOFCPBAH-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)no2)c1 ZINC000065112221 569108025 /nfs/dbraw/zinc/10/80/25/569108025.db2.gz YRZHKZUCZDSBTH-UHFFFAOYSA-N 0 0 435.452 3.592 50 0 IHAARN C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1)c1ccccc1 ZINC000065130237 569109030 /nfs/dbraw/zinc/10/90/30/569109030.db2.gz CDMFQLUOIAVSCL-HXUWFJFHSA-N 0 0 441.531 3.549 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)c(F)c1 ZINC000065130268 569109174 /nfs/dbraw/zinc/10/91/74/569109174.db2.gz XYRTZBRJLIVZTJ-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000036433563 569109439 /nfs/dbraw/zinc/10/94/39/569109439.db2.gz WVEXKPRXFSSYRA-MDOVXXIYSA-N 0 0 425.485 3.686 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc(N2CCSCC2)c2ccccc2c1=O ZINC000065134334 569110151 /nfs/dbraw/zinc/11/01/51/569110151.db2.gz XTNCELCZORHTGR-UHFFFAOYSA-N 0 0 428.945 3.550 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCc1ccc2c(c1)OCO2 ZINC000065136456 569110257 /nfs/dbraw/zinc/11/02/57/569110257.db2.gz UEFTXOGKMLGVPV-MRXNPFEDSA-N 0 0 427.476 3.895 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1S(=O)(=O)N(C)C ZINC000065138368 569110680 /nfs/dbraw/zinc/11/06/80/569110680.db2.gz BUOCJJSMYLXHSO-UHFFFAOYSA-N 0 0 446.960 3.704 50 0 IHAARN O=C(c1cccc2[nH]cc(CN3CCOCC3)c21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065135837 569110870 /nfs/dbraw/zinc/11/08/70/569110870.db2.gz OQMVBGZIKQEWEU-UHFFFAOYSA-N 0 0 438.959 3.616 50 0 IHAARN Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)nc23)cc1 ZINC000065150663 569111189 /nfs/dbraw/zinc/11/11/89/569111189.db2.gz NERAMCBYJMRTPS-UHFFFAOYSA-N 0 0 443.385 3.649 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595480 569111237 /nfs/dbraw/zinc/11/12/37/569111237.db2.gz XLHJSFOVEHVTKR-UHFFFAOYSA-N 0 0 439.475 3.842 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1Cl ZINC000065150922 569111590 /nfs/dbraw/zinc/11/15/90/569111590.db2.gz VSEMSOUGZJMBNT-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc23)n1 ZINC000065154332 569112240 /nfs/dbraw/zinc/11/22/40/569112240.db2.gz MJESPZQORIPSGF-UHFFFAOYSA-N 0 0 446.463 3.585 50 0 IHAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@](O)(c2cccc(Cl)c2)C1=O ZINC000065155544 569112502 /nfs/dbraw/zinc/11/25/02/569112502.db2.gz HRFPUPCZCPCDII-XMMPIXPASA-N 0 0 436.895 3.960 50 0 IHAARN O=C(CN1C(=O)[C@](O)(c2cccc(Cl)c2)c2ccccc21)Nc1ccc(F)cc1F ZINC000065155457 569112508 /nfs/dbraw/zinc/11/25/08/569112508.db2.gz YYXVFYIBZWGUBU-QFIPXVFZSA-N 0 0 428.822 3.839 50 0 IHAARN COc1ccc(-c2nc(C)cc(C)c2CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000065171466 569112593 /nfs/dbraw/zinc/11/25/93/569112593.db2.gz NPXBUYDSTZFQNL-UHFFFAOYSA-N 0 0 439.537 3.811 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C3)cc1 ZINC000065169102 569112681 /nfs/dbraw/zinc/11/26/81/569112681.db2.gz WKKYHNFSVKZLKW-UHFFFAOYSA-N 0 0 433.892 3.692 50 0 IHAARN O=S(=O)(Cc1ccc(F)cc1Cl)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065169251 569112683 /nfs/dbraw/zinc/11/26/83/569112683.db2.gz IWZPOLRKXWFTKW-UHFFFAOYSA-N 0 0 435.883 3.963 50 0 IHAARN COc1cccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2Cc2ccccc2)c1OC ZINC000065170107 569112694 /nfs/dbraw/zinc/11/26/94/569112694.db2.gz GMXFZZDYEWNUIP-XMMPIXPASA-N 0 0 430.504 3.646 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2cccc(Cl)c2C)C3)cc1 ZINC000065169096 569112708 /nfs/dbraw/zinc/11/27/08/569112708.db2.gz XQKNWURDBFTUKG-UHFFFAOYSA-N 0 0 429.929 3.861 50 0 IHAARN COc1cccc(CNC(=O)c2csc(-c3ccc(N4CCSCC4)nc3)n2)c1 ZINC000065165645 569112912 /nfs/dbraw/zinc/11/29/12/569112912.db2.gz BVMBEINLVXZVHS-UHFFFAOYSA-N 0 0 426.567 3.697 50 0 IHAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1)N1CCCC1 ZINC000065179858 569113584 /nfs/dbraw/zinc/11/35/84/569113584.db2.gz ZFLHUQTXNDYEJP-UHFFFAOYSA-N 0 0 427.932 3.902 50 0 IHAARN Cc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1F ZINC000065180038 569113632 /nfs/dbraw/zinc/11/36/32/569113632.db2.gz MYQZXUSNYWOBNP-UHFFFAOYSA-N 0 0 440.515 3.538 50 0 IHAARN Cc1ccc2c(c1)N(Cc1cccc(F)c1)N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000065183335 569113865 /nfs/dbraw/zinc/11/38/65/569113865.db2.gz KYELXYWEOZAMNC-UHFFFAOYSA-N 0 0 429.517 3.500 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC000065178849 569114522 /nfs/dbraw/zinc/11/45/22/569114522.db2.gz ZURNGFJQXQGAHS-OAQYLSRUSA-N 0 0 436.552 3.927 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)c1 ZINC000065179038 569114609 /nfs/dbraw/zinc/11/46/09/569114609.db2.gz VWYUVJDBEBSJAR-NRFANRHFSA-N 0 0 436.552 3.707 50 0 IHAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199180 569115045 /nfs/dbraw/zinc/11/50/45/569115045.db2.gz HBLDIAOJFUYIMT-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN COc1ccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199231 569115070 /nfs/dbraw/zinc/11/50/70/569115070.db2.gz VFRKMMDBLKSMSG-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN COc1ccc(C2(C(=O)N3CCN(c4nc(CN5CCCCC5)cs4)CC3)CC2)cc1 ZINC000065200564 569115193 /nfs/dbraw/zinc/11/51/93/569115193.db2.gz LJSQJRCJCBMCBE-UHFFFAOYSA-N 0 0 440.613 3.518 50 0 IHAARN Fc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)CC1 ZINC000065216269 569116978 /nfs/dbraw/zinc/11/69/78/569116978.db2.gz CRVZNUVQJUFZOJ-UHFFFAOYSA-N 0 0 436.535 3.973 50 0 IHAARN COc1cc(NC(=O)Cn2ccc3ccn(Cc4cccc(C)c4)c3c2=O)cc(OC)c1 ZINC000065220242 569117220 /nfs/dbraw/zinc/11/72/20/569117220.db2.gz XKZIIBMSIDBWJK-UHFFFAOYSA-N 0 0 431.492 3.816 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)c1 ZINC000065220433 569117287 /nfs/dbraw/zinc/11/72/87/569117287.db2.gz PESLPGHCOSAXJN-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN COc1cc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)cc(OC)c1 ZINC000065220465 569117294 /nfs/dbraw/zinc/11/72/94/569117294.db2.gz KWPMPZFKTKPPEI-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)no1 ZINC000065227734 569117523 /nfs/dbraw/zinc/11/75/23/569117523.db2.gz OSTVFHMAUGLITM-MRXNPFEDSA-N 0 0 425.920 3.880 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cc(F)ccc4F)CC3)o2)cc1 ZINC000065229664 569118272 /nfs/dbraw/zinc/11/82/72/569118272.db2.gz SZZAGMJCVPNLJQ-UHFFFAOYSA-N 0 0 428.439 3.556 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235849 569119347 /nfs/dbraw/zinc/11/93/47/569119347.db2.gz UMEBKVITVPVSOT-QGZVFWFLSA-N 0 0 432.528 3.531 50 0 IHAARN CC[C@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)no1 ZINC000065235805 569119435 /nfs/dbraw/zinc/11/94/35/569119435.db2.gz ZTSBCGQTIGZXIY-IBGZPJMESA-N 0 0 432.528 3.667 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239099 569119900 /nfs/dbraw/zinc/11/99/00/569119900.db2.gz IRBZYONTCAFXKX-UHFFFAOYSA-N 0 0 449.985 3.769 50 0 IHAARN C=C1C(N2CCC(NC(=O)CCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239233 569120203 /nfs/dbraw/zinc/12/02/03/569120203.db2.gz LZJFVWGJDTXBSR-UHFFFAOYSA-N 0 0 431.602 3.793 50 0 IHAARN C=C1C(N2CCCN(C(=O)C[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239277 569120338 /nfs/dbraw/zinc/12/03/38/569120338.db2.gz XJFLRWDFFIYUHX-OAHLLOKOSA-N 0 0 437.993 3.783 50 0 IHAARN Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1 ZINC000065246490 569121781 /nfs/dbraw/zinc/12/17/81/569121781.db2.gz PAROQWSEUVHCCZ-UHFFFAOYSA-N 0 0 442.541 3.807 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000036616247 569122727 /nfs/dbraw/zinc/12/27/27/569122727.db2.gz JLXBFTUPASNQAE-UHFFFAOYSA-N 0 0 448.474 3.959 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259773 569124838 /nfs/dbraw/zinc/12/48/38/569124838.db2.gz XTYQPZMCTCLMQB-LJQANCHMSA-N 0 0 443.569 3.608 50 0 biogenic IHAARN CCOc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259769 569124896 /nfs/dbraw/zinc/12/48/96/569124896.db2.gz WNXDCEIKOLLWCW-LJQANCHMSA-N 0 0 443.569 3.690 50 0 biogenic IHAARN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 ZINC000524731397 569126493 /nfs/dbraw/zinc/12/64/93/569126493.db2.gz VYOANKYOYLEXAS-FQEVSTJZSA-N 0 0 449.503 3.773 50 0 biogenic IHAARN COCCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000036625341 569126922 /nfs/dbraw/zinc/12/69/22/569126922.db2.gz IEEFAVBGIMGDIN-UHFFFAOYSA-N 0 0 436.599 3.520 50 0 IHAARN COc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cc1OC ZINC000065265976 569127475 /nfs/dbraw/zinc/12/74/75/569127475.db2.gz ISWLYZBWDHNNBK-VWLOTQADSA-N 0 0 436.556 3.510 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c1 ZINC000065265977 569127500 /nfs/dbraw/zinc/12/75/00/569127500.db2.gz KJQBBGDCPJIVKK-RUZDIDTESA-N 0 0 436.556 3.510 50 0 IHAARN O=C(NCCCn1ccc2ccc(Cl)cc21)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734235 569127654 /nfs/dbraw/zinc/12/76/54/569127654.db2.gz LNMRATQVBGOCSV-UHFFFAOYSA-N 0 0 426.933 3.641 50 0 IHAARN CC(C)n1cccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524734561 569127729 /nfs/dbraw/zinc/12/77/29/569127729.db2.gz QVMCWILZCKSCKC-XMMPIXPASA-N 0 0 442.519 3.890 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2coc(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524735204 569128178 /nfs/dbraw/zinc/12/81/78/569128178.db2.gz GCFQFYZLUNEXMN-HXUWFJFHSA-N 0 0 432.476 3.765 50 0 IHAARN C=C1C(N2CCC(NC(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271826 569128621 /nfs/dbraw/zinc/12/86/21/569128621.db2.gz WYLOHZXFBLCEJO-UHFFFAOYSA-N 0 0 446.617 3.532 50 0 IHAARN C=C1C(N2CCCN(C(=O)Nc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271926 569128807 /nfs/dbraw/zinc/12/88/07/569128807.db2.gz RXAQFOWAWPBXGW-UHFFFAOYSA-N 0 0 442.516 3.538 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cc(C)ccc2C)CC3)CC1 ZINC000065273444 569129472 /nfs/dbraw/zinc/12/94/72/569129472.db2.gz YIJDDORQKPZPRO-QGZVFWFLSA-N 0 0 426.586 3.562 50 0 IHAARN Cc1ccccc1NC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273706 569129956 /nfs/dbraw/zinc/12/99/56/569129956.db2.gz QQZNMLLRFAHMGQ-GOSISDBHSA-N 0 0 438.597 3.644 50 0 IHAARN Cc1scc2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc(N3CCSCC3)c12 ZINC000065283360 569130139 /nfs/dbraw/zinc/13/01/39/569130139.db2.gz JOXKPBFEHNOABR-UHFFFAOYSA-N 0 0 428.539 3.576 50 0 IHAARN O=C(Nc1cnn(-c2ncncc2N2CCSCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000065283174 569130147 /nfs/dbraw/zinc/13/01/47/569130147.db2.gz PUNIPMPXSUOQOC-UHFFFAOYSA-N 0 0 449.462 3.878 50 0 IHAARN CCCCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3CC)C2)cc1 ZINC000065292957 569130851 /nfs/dbraw/zinc/13/08/51/569130851.db2.gz MJYDCFFJQCKVJJ-QGZVFWFLSA-N 0 0 428.558 3.808 50 0 IHAARN COc1ccc(CNC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)cc1 ZINC000065293980 569131165 /nfs/dbraw/zinc/13/11/65/569131165.db2.gz PNRQHBOZVSEWCS-UHFFFAOYSA-N 0 0 435.553 3.860 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5ccco5)CC4)nc32)cc1 ZINC000065299481 569132140 /nfs/dbraw/zinc/13/21/40/569132140.db2.gz ILEHRWJYNWWWKE-UHFFFAOYSA-N 0 0 437.525 3.791 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCCN(C(=O)C(F)(F)F)CC3)sc12 ZINC000065300180 569132266 /nfs/dbraw/zinc/13/22/66/569132266.db2.gz GLUANBRUXYKTDU-UHFFFAOYSA-N 0 0 427.427 3.531 50 0 IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)NCc1cc(F)ccc1F ZINC000065307575 569132420 /nfs/dbraw/zinc/13/24/20/569132420.db2.gz CNTWYOVEUBBCPJ-FQEVSTJZSA-N 0 0 425.410 3.903 50 0 IHAARN CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)CC1 ZINC000065315433 569134002 /nfs/dbraw/zinc/13/40/02/569134002.db2.gz BZMFXWBVXSITCV-UHFFFAOYSA-N 0 0 427.480 3.850 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1 ZINC000065315428 569134025 /nfs/dbraw/zinc/13/40/25/569134025.db2.gz JJPUKCOSLWGPSK-INIZCTEOSA-N 0 0 429.565 3.909 50 0 IHAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000065315482 569134087 /nfs/dbraw/zinc/13/40/87/569134087.db2.gz MHJQAXMOLQKZKY-IBGZPJMESA-N 0 0 437.544 3.777 50 0 IHAARN CCOc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)cc1 ZINC000065315620 569134212 /nfs/dbraw/zinc/13/42/12/569134212.db2.gz GRPSTUPPQCKVSR-UHFFFAOYSA-N 0 0 446.551 3.989 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000065318941 569134715 /nfs/dbraw/zinc/13/47/15/569134715.db2.gz DFQHZHWWGBBQLG-UHFFFAOYSA-N 0 0 446.573 3.624 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)NC1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065313194 569135171 /nfs/dbraw/zinc/13/51/71/569135171.db2.gz PYDXDBKWMUBJQC-UHFFFAOYSA-N 0 0 437.853 3.729 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4ccncc4)CC3)sc12 ZINC000065314717 569135625 /nfs/dbraw/zinc/13/56/25/569135625.db2.gz XFFLHQKWXKPCFX-UHFFFAOYSA-N 0 0 432.553 3.846 50 0 IHAARN CCn1c(=O)c2sc(N3CCC(C)CC3)nc2nc1SCC(=O)Nc1ccccc1 ZINC000065319582 569135913 /nfs/dbraw/zinc/13/59/13/569135913.db2.gz RWUPVHRDOOKXRO-UHFFFAOYSA-N 0 0 443.598 3.840 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2CC)cc1 ZINC000065319884 569136045 /nfs/dbraw/zinc/13/60/45/569136045.db2.gz VCJOUGDMFZPWJE-UHFFFAOYSA-N 0 0 443.598 3.766 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)c1 ZINC000036713621 569136625 /nfs/dbraw/zinc/13/66/25/569136625.db2.gz VPFYPMLEABRRIC-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000007191766 569137861 /nfs/dbraw/zinc/13/78/61/569137861.db2.gz ZSECNQQGJFTOJJ-UHFFFAOYSA-N 0 0 425.598 3.760 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@H]2CCCC[C@H]21 ZINC000036784519 569137900 /nfs/dbraw/zinc/13/79/00/569137900.db2.gz OLJWKCAANJOORF-LVCYWYKZSA-N 0 0 441.597 3.849 50 0 IHAARN C[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1 ZINC000065521222 569138975 /nfs/dbraw/zinc/13/89/75/569138975.db2.gz CTWREMKSRJLTMU-GOSISDBHSA-N 0 0 431.492 3.946 50 0 IHAARN C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000065566795 569139274 /nfs/dbraw/zinc/13/92/74/569139274.db2.gz SHUJBXDGYQITEJ-INIZCTEOSA-N 0 0 434.448 3.527 50 0 IHAARN Cc1nc(S(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)n(C2CCCCC2)c1C ZINC000065575353 569139741 /nfs/dbraw/zinc/13/97/41/569139741.db2.gz WTTDBCFQJHHORB-NRFANRHFSA-N 0 0 429.586 3.973 50 0 IHAARN CC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000170595205 569141437 /nfs/dbraw/zinc/14/14/37/569141437.db2.gz MVYPPLVKFOEXJS-AWEZNQCLSA-N 0 0 443.935 3.606 50 0 IHAARN COc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc(Cl)c1OCC(N)=O ZINC000170596155 569141952 /nfs/dbraw/zinc/14/19/52/569141952.db2.gz JYBAEWKGBUISNJ-IERDGZPVSA-N 0 0 430.932 3.902 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1ccc(F)cc1F)c1c(C)nn(Cc2ccccc2)c1C ZINC000170597422 569142048 /nfs/dbraw/zinc/14/20/48/569142048.db2.gz WLWMXZMEUAELNP-OAQYLSRUSA-N 0 0 427.451 3.861 50 0 IHAARN Cc1cc(CN2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)nc(-c2ccc(Cl)cc2)n1 ZINC000170599787 569142582 /nfs/dbraw/zinc/14/25/82/569142582.db2.gz PAFIUKGWIKDRRU-HXUWFJFHSA-N 0 0 447.926 3.790 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)ccc1OC ZINC000170600802 569142980 /nfs/dbraw/zinc/14/29/80/569142980.db2.gz MOZZPLTXIZDNDD-CQSZACIVSA-N 0 0 447.582 3.826 50 0 IHAARN C[C@@H](C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000170609179 569144537 /nfs/dbraw/zinc/14/45/37/569144537.db2.gz WKLHCYYOGKEDPY-ZDUSSCGKSA-N 0 0 437.447 3.675 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Nc1cn(CC(C)C)nc1C(F)F ZINC000170610591 569145044 /nfs/dbraw/zinc/14/50/44/569145044.db2.gz UWQKQWGMWJYJBJ-HNNXBMFYSA-N 0 0 435.519 3.937 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000170617464 569147260 /nfs/dbraw/zinc/14/72/60/569147260.db2.gz SRFAHFWJMSBSKR-INIZCTEOSA-N 0 0 435.615 3.544 50 0 IHAARN C[S@](=O)c1ccc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1 ZINC000170627027 569148780 /nfs/dbraw/zinc/14/87/80/569148780.db2.gz WMAIJXKHDHKXPF-VWLOTQADSA-N 0 0 437.237 3.775 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CC2SC(=N)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000170623896 569148428 /nfs/dbraw/zinc/14/84/28/569148428.db2.gz MDKVWEDSOGHXPJ-GOSISDBHSA-N 0 0 425.510 3.838 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009883129 569149838 /nfs/dbraw/zinc/14/98/38/569149838.db2.gz NGTBXQSHYKWQLE-UHFFFAOYSA-N 0 0 438.402 3.654 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccco2)o1)OCc1ccccc1 ZINC000009883831 569150061 /nfs/dbraw/zinc/15/00/61/569150061.db2.gz MDBGMGANYAPJAC-SFHVURJKSA-N 0 0 432.436 3.806 50 0 IHAARN CCOC(=O)CCCNC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000009883736 569150078 /nfs/dbraw/zinc/15/00/78/569150078.db2.gz IHSZOAFHRYQFAE-UHFFFAOYSA-N 0 0 439.464 3.628 50 0 IHAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010026795 569151697 /nfs/dbraw/zinc/15/16/97/569151697.db2.gz NDPIPUYWTSPFDO-AWEZNQCLSA-N 0 0 449.492 3.829 50 0 IHAARN COc1cc(CCC2CCN(C(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)cc(OC)c1 ZINC000010028916 569151771 /nfs/dbraw/zinc/15/17/71/569151771.db2.gz CPTJVBOMYFMCNS-UHFFFAOYSA-N 0 0 445.581 3.733 50 0 IHAARN COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C)cc2)cc1OC ZINC000010060265 569152426 /nfs/dbraw/zinc/15/24/26/569152426.db2.gz PJAJERIWFVZNEB-UHFFFAOYSA-N 0 0 429.480 3.966 50 0 IHAARN O=S(=O)(c1ccccc1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 ZINC000010060261 569152430 /nfs/dbraw/zinc/15/24/30/569152430.db2.gz NYMDKHONGYPRFY-UHFFFAOYSA-N 0 0 425.901 3.843 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCCC1 ZINC000010219979 569152846 /nfs/dbraw/zinc/15/28/46/569152846.db2.gz ZWFGXWWDYFGUMR-UHFFFAOYSA-N 0 0 441.549 3.740 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010218382 569153498 /nfs/dbraw/zinc/15/34/98/569153498.db2.gz QVYUCQAAOPBYHG-UHFFFAOYSA-N 0 0 425.510 3.808 50 0 IHAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000010219334 569153757 /nfs/dbraw/zinc/15/37/57/569153757.db2.gz IMLUKWJTFLRIOE-UHFFFAOYSA-N 0 0 445.547 3.841 50 0 IHAARN C[C@@H](OC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2)C(=O)Nc1ncccn1 ZINC000014045418 569157503 /nfs/dbraw/zinc/15/75/03/569157503.db2.gz LCLDUJWTNRAWGQ-CYBMUJFWSA-N 0 0 442.541 3.730 50 0 IHAARN COc1ccc(CN2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000014101293 569157795 /nfs/dbraw/zinc/15/77/95/569157795.db2.gz KCWNBAHUWWFAGK-UHFFFAOYSA-N 0 0 429.369 3.899 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000014179881 569157897 /nfs/dbraw/zinc/15/78/97/569157897.db2.gz KCEWUUVJBQLYPN-KRWDZBQOSA-N 0 0 441.322 3.770 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc(C(=O)OC)c1 ZINC000014264239 569158324 /nfs/dbraw/zinc/15/83/24/569158324.db2.gz FWTGWJGDWQOYRH-UHFFFAOYSA-N 0 0 435.392 3.617 50 0 IHAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000014249845 569158398 /nfs/dbraw/zinc/15/83/98/569158398.db2.gz NKVZMUQJAZGDLR-UHFFFAOYSA-N 0 0 442.459 3.753 50 0 IHAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000014410983 569159004 /nfs/dbraw/zinc/15/90/04/569159004.db2.gz BVMAFDGOJBOZHM-UHFFFAOYSA-N 0 0 443.341 3.691 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccc(F)cc1 ZINC000014403778 569159015 /nfs/dbraw/zinc/15/90/15/569159015.db2.gz ZRRCAHWLMNHYHX-KRWDZBQOSA-N 0 0 442.545 3.838 50 0 IHAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4)CC3)nc2-c2ccccc2)cc1 ZINC000014609655 569159487 /nfs/dbraw/zinc/15/94/87/569159487.db2.gz VGDXISZYSBAPEM-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000089600648 569159654 /nfs/dbraw/zinc/15/96/54/569159654.db2.gz FVBRFYFVFZYADG-KRWDZBQOSA-N 0 0 435.915 3.991 50 0 IHAARN Cc1cc(C(=O)NC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(C)n1Cc1ccccc1 ZINC000089609009 569159811 /nfs/dbraw/zinc/15/98/11/569159811.db2.gz GENOSIQECBQSFU-JOCHJYFZSA-N 0 0 430.552 3.911 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000089640956 569160259 /nfs/dbraw/zinc/16/02/59/569160259.db2.gz UQRHCIKOKRCASZ-UHFFFAOYSA-N 0 0 429.567 3.858 50 0 IHAARN CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1 ZINC000016850422 569164607 /nfs/dbraw/zinc/16/46/07/569164607.db2.gz YAVDCQDBGPUSDC-UHFFFAOYSA-N 0 0 435.958 3.803 50 0 IHAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cccc(=O)n1CCOc1ccccc1Cl ZINC000089814522 569165220 /nfs/dbraw/zinc/16/52/20/569165220.db2.gz LUIGTJVMTUJZES-UHFFFAOYSA-N 0 0 437.883 3.718 50 0 IHAARN Clc1cnccc1N1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000089884904 569166713 /nfs/dbraw/zinc/16/67/13/569166713.db2.gz ZOSVJLJTROOJEX-UHFFFAOYSA-N 0 0 440.754 3.931 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O ZINC000089917109 569167524 /nfs/dbraw/zinc/16/75/24/569167524.db2.gz KFRMSGLERXWVLK-OAQYLSRUSA-N 0 0 425.828 3.691 50 0 IHAARN COc1ccc(CCNC(=O)CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000089920277 569167696 /nfs/dbraw/zinc/16/76/96/569167696.db2.gz PNLVMZQNBSNBDQ-XLIONFOSSA-N 0 0 444.572 3.631 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000089920262 569167806 /nfs/dbraw/zinc/16/78/06/569167806.db2.gz HADDFNRCJZPOFR-IYBDPMFKSA-N 0 0 432.542 3.623 50 0 IHAARN COc1ccc(CC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1OC ZINC000016959821 569168122 /nfs/dbraw/zinc/16/81/22/569168122.db2.gz YXSPUVMPQUNDOQ-UHFFFAOYSA-N 0 0 440.500 3.516 50 0 IHAARN CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000089936830 569168215 /nfs/dbraw/zinc/16/82/15/569168215.db2.gz QPXIEUFJBJLBID-ZIAGYGMSSA-N 0 0 436.557 3.638 50 0 IHAARN CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000089941929 569168366 /nfs/dbraw/zinc/16/83/66/569168366.db2.gz XCXLOXGFNSGXGW-IRLDBZIGSA-N 0 0 438.601 3.832 50 0 IHAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2)cc1F ZINC000089960393 569169154 /nfs/dbraw/zinc/16/91/54/569169154.db2.gz JBXBUCDLDCFIQA-GFCCVEGCSA-N 0 0 434.942 3.670 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cncc(Br)c2Cl)c1 ZINC000089969082 569169438 /nfs/dbraw/zinc/16/94/38/569169438.db2.gz HLZVBCJEYKMOLC-UHFFFAOYSA-N 0 0 446.754 3.780 50 0 IHAARN CCOC(=O)CN(CCOC)c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000089983738 569169945 /nfs/dbraw/zinc/16/99/45/569169945.db2.gz YFRXIRIYCBRTJP-UHFFFAOYSA-N 0 0 426.542 3.648 50 0 IHAARN CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000089983633 569169960 /nfs/dbraw/zinc/16/99/60/569169960.db2.gz PMNOSDACLXBVMK-HIFRSBDPSA-N 0 0 429.344 3.551 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000017013775 569170793 /nfs/dbraw/zinc/17/07/93/569170793.db2.gz NQSNUUXZFDRXPF-UHFFFAOYSA-N 0 0 439.541 3.938 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1 ZINC000017043579 569171516 /nfs/dbraw/zinc/17/15/16/569171516.db2.gz HDHVUQGQCSELMU-UHFFFAOYSA-N 0 0 432.523 3.548 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4cc(F)ccc4F)n3n2)c1 ZINC000017135550 569174371 /nfs/dbraw/zinc/17/43/71/569174371.db2.gz VUTPIEKWDOOLID-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3C)s2)cc1OC ZINC000017135918 569174520 /nfs/dbraw/zinc/17/45/20/569174520.db2.gz OROLTDUFMGSIGA-UHFFFAOYSA-N 0 0 439.537 3.742 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccco1 ZINC000017200937 569176000 /nfs/dbraw/zinc/17/60/00/569176000.db2.gz YVEXOFOZTIOZBA-UHFFFAOYSA-N 0 0 426.469 3.664 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCC(C)C)s1 ZINC000017287142 569177071 /nfs/dbraw/zinc/17/70/71/569177071.db2.gz IMTTVYVAXCNAGJ-UHFFFAOYSA-N 0 0 437.008 3.881 50 0 IHAARN COc1ccccc1-c1nn(C)cc1C(=O)OC1CCN(c2ccc(Cl)cn2)CC1 ZINC000170637612 569178416 /nfs/dbraw/zinc/17/84/16/569178416.db2.gz KFCOSDVCPVPUNX-UHFFFAOYSA-N 0 0 426.904 3.970 50 0 IHAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002092276 569178778 /nfs/dbraw/zinc/17/87/78/569178778.db2.gz KFVRFXPTZCOWKF-FQEVSTJZSA-N 0 0 443.521 3.716 50 0 biogenic IHAARN CCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002098495 569179443 /nfs/dbraw/zinc/17/94/43/569179443.db2.gz ORDXMSHQXHTAPL-SQJMNOBHSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN COc1ccc(Br)cc1CC(=O)N(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000170640243 569180237 /nfs/dbraw/zinc/18/02/37/569180237.db2.gz BLQAFCXDAMOLGV-UHFFFAOYSA-N 0 0 447.377 3.534 50 0 IHAARN CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 ZINC000002105681 569180998 /nfs/dbraw/zinc/18/09/98/569180998.db2.gz KWADPUSLUQDVEO-NIYFSFCBSA-N 0 0 436.552 3.521 50 0 biogenic IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002108412 569181681 /nfs/dbraw/zinc/18/16/81/569181681.db2.gz WMFXLMDQUNVGID-RYUVBPIJSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN COc1ccc2c(C)c(CCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c(=O)oc2c1 ZINC000027150710 569181800 /nfs/dbraw/zinc/18/18/00/569181800.db2.gz PTCBNYNYUHTKGP-UHFFFAOYSA-N 0 0 431.492 3.887 50 0 IHAARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002112011 569182120 /nfs/dbraw/zinc/18/21/20/569182120.db2.gz SJEDGNXTYBINAW-CRICUBBOSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN COc1ccc(C2=NO[C@@H](C(=O)c3ccccc3)[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000002114947 569182319 /nfs/dbraw/zinc/18/23/19/569182319.db2.gz PCGRSFBRAKJUFB-UKILVPOCSA-N 0 0 428.444 3.580 50 0 biogenic IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000252496741 569187958 /nfs/dbraw/zinc/18/79/58/569187958.db2.gz PQSIOUSTVMLDKC-JPYJTQIMSA-N 0 0 448.567 3.931 50 0 IHAARN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000252506132 569188303 /nfs/dbraw/zinc/18/83/03/569188303.db2.gz QKQKFAGIRXZXMD-SKDZVZGDSA-N 0 0 434.462 3.921 50 0 IHAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCn1c(CO)nc2ccccc21 ZINC000252536658 569189904 /nfs/dbraw/zinc/18/99/04/569189904.db2.gz JCRSCSUPIFCKHB-UHFFFAOYSA-N 0 0 431.521 3.914 50 0 IHAARN CC(C)[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000252553195 569191006 /nfs/dbraw/zinc/19/10/06/569191006.db2.gz VHODNOAERZQJJW-GHTZIAJQSA-N 0 0 433.512 3.567 50 0 IHAARN CCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OCC ZINC000002195113 569191424 /nfs/dbraw/zinc/19/14/24/569191424.db2.gz NTDMTOCNWFQXKH-PDGQHHTCSA-N 0 0 427.913 3.817 50 0 IHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)CC(C)(C)C ZINC000037400233 569194796 /nfs/dbraw/zinc/19/47/96/569194796.db2.gz FXZLJAKKDPGFEU-UHFFFAOYSA-N 0 0 449.569 3.874 50 0 IHAARN COCC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)CC(C)C ZINC000037424043 569195515 /nfs/dbraw/zinc/19/55/15/569195515.db2.gz XQKBAAZEJASPCU-UHFFFAOYSA-N 0 0 443.924 3.878 50 0 IHAARN O=C(CCN(C(=O)c1csc(Nc2ccccc2Cl)n1)C1CC1)NC[C@H]1CCCO1 ZINC000037427282 569195892 /nfs/dbraw/zinc/19/58/92/569195892.db2.gz VQKMQDJWCHPKRF-OAHLLOKOSA-N 0 0 448.976 3.830 50 0 IHAARN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000037427861 569195925 /nfs/dbraw/zinc/19/59/25/569195925.db2.gz NIUPMPADWHJMER-BFWCMWNPSA-N 0 0 437.565 3.917 50 0 IHAARN CC[C@@H](C)NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3F)cc21 ZINC000037512464 569198030 /nfs/dbraw/zinc/19/80/30/569198030.db2.gz SKSLZFPFRCPJNS-MRXNPFEDSA-N 0 0 442.487 3.508 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524533 569198870 /nfs/dbraw/zinc/19/88/70/569198870.db2.gz LYIDVROWFMHLPN-GOSISDBHSA-N 0 0 441.959 3.648 50 0 IHAARN Cc1ccc([C@H]2c3cc(O[C@@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037602742 569202487 /nfs/dbraw/zinc/20/24/87/569202487.db2.gz ZRGDHNSKUMCGCM-DFBJGRDBSA-N 0 0 448.563 3.505 50 0 IHAARN CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000007806625 569203992 /nfs/dbraw/zinc/20/39/92/569203992.db2.gz CMHHAYHAHAWWQZ-FQEVSTJZSA-N 0 0 429.586 3.850 50 0 IHAARN O=C(NCc1ccc(Br)cc1)c1cc(Cn2cc(-c3ccncc3)cn2)on1 ZINC000066089081 569205689 /nfs/dbraw/zinc/20/56/89/569205689.db2.gz KIWAETFWABJSOL-UHFFFAOYSA-N 0 0 438.285 3.674 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000252635179 569207968 /nfs/dbraw/zinc/20/79/68/569207968.db2.gz WUOXUMCZTWXYRA-QICVXKNISA-N 0 0 444.556 3.772 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252669781 569209810 /nfs/dbraw/zinc/20/98/10/569209810.db2.gz IRCOATLRBMKZPF-SFHVURJKSA-N 0 0 444.965 3.513 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(OC)c1 ZINC000003529230 569211955 /nfs/dbraw/zinc/21/19/55/569211955.db2.gz WWGIQIBXGKHSFU-UHFFFAOYSA-N 0 0 441.557 3.704 50 0 IHAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccc2c(c1)OCCO2 ZINC000002698741 569212674 /nfs/dbraw/zinc/21/26/74/569212674.db2.gz WZQRVZHLMGCOHR-UHFFFAOYSA-N 0 0 433.508 3.778 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)c1C ZINC000003009531 569213175 /nfs/dbraw/zinc/21/31/75/569213175.db2.gz HHFIJQLOVPWSFN-UHFFFAOYSA-N 0 0 439.537 3.957 50 0 IHAARN COc1cc(-c2noc(-c3nnn(-c4ccccc4Cl)c3C)n2)cc(OC)c1OC ZINC000009300478 569215161 /nfs/dbraw/zinc/21/51/61/569215161.db2.gz BSZDVTXWVQZZLX-UHFFFAOYSA-N 0 0 427.848 3.972 50 0 IHAARN CCCCn1c(N)c(C(=O)NCCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002253924 569216709 /nfs/dbraw/zinc/21/67/09/569216709.db2.gz QQGCMDRYAUEARV-UHFFFAOYSA-N 0 0 447.539 3.957 50 0 IHAARN CCC[C@]12C[C@H](OC1=O)[C@H]1[C@@H](CC=C3CC4(CC[C@@]31C)OCCO4)[C@@]2(O)/C=C/OCC ZINC000005952197 569256663 /nfs/dbraw/zinc/25/66/63/569256663.db2.gz NCVXCIWMIWHNSZ-DORNRHFJSA-N 0 0 432.557 3.879 50 0 IHAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O ZINC000027528063 569263450 /nfs/dbraw/zinc/26/34/50/569263450.db2.gz OVGKXZDJFRTKAZ-UHFFFAOYSA-N 0 0 427.391 3.693 50 0 IHAARN CCN(CC)C(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000002286733 569264020 /nfs/dbraw/zinc/26/40/20/569264020.db2.gz ZAUHNKQCCIQWIB-BOPFTXTBSA-N 0 0 445.313 3.817 50 0 IHAARN C[C@H](O)c1cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000253417593 569266537 /nfs/dbraw/zinc/26/65/37/569266537.db2.gz BOXMOUNNWYFUOM-NEPJUHHUSA-N 0 0 444.322 3.690 50 0 IHAARN C[C@@H](O)c1cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000253417605 569266585 /nfs/dbraw/zinc/26/65/85/569266585.db2.gz BOXMOUNNWYFUOM-VXGBXAGGSA-N 0 0 444.322 3.690 50 0 IHAARN Cc1c2nnc(C(F)(F)F)n2nc(NC[C@H](NCc2ccccc2)C(F)(F)F)c1C ZINC000253420383 569266833 /nfs/dbraw/zinc/26/68/33/569266833.db2.gz WONKZRAPGQZMBA-ZDUSSCGKSA-N 0 0 432.372 3.893 50 0 IHAARN COC(=O)[C@@H](CNC(=O)c1ccc(OC(C)C)cc1)Oc1ccc(Br)cc1 ZINC000253422955 569266937 /nfs/dbraw/zinc/26/69/37/569266937.db2.gz MBDZGLSNNKQGJD-GOSISDBHSA-N 0 0 436.302 3.587 50 0 IHAARN COc1cc(C)c(S(=O)(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)cc1OC ZINC000253425108 569267060 /nfs/dbraw/zinc/26/70/60/569267060.db2.gz PERIQWOGXCXZIH-JOCHJYFZSA-N 0 0 428.510 3.598 50 0 IHAARN CCCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc21 ZINC000002306378 569271862 /nfs/dbraw/zinc/27/18/62/569271862.db2.gz JSTAUDKZILNSHK-UHFFFAOYSA-N 0 0 431.496 3.863 50 0 IHAARN CCOC(=O)c1c(N)n(CCCOC(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002313773 569272288 /nfs/dbraw/zinc/27/22/88/569272288.db2.gz SFNLDPWEPITQKT-UHFFFAOYSA-N 0 0 448.479 3.599 50 0 IHAARN CCCSc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)C[C@@](C)(CC)OC3 ZINC000002351924 569282853 /nfs/dbraw/zinc/28/28/53/569282853.db2.gz XWWPOOKXMIJTSS-GOSISDBHSA-N 0 0 437.616 3.660 50 0 IHAARN O=C(NCCCSc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000018083490 569284796 /nfs/dbraw/zinc/28/47/96/569284796.db2.gz YSFFPIAOUPNLNW-KRWDZBQOSA-N 0 0 436.574 3.525 50 0 IHAARN COCCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002354279 569285859 /nfs/dbraw/zinc/28/58/59/569285859.db2.gz ZUJDUTSTLFKFOD-UHFFFAOYSA-N 0 0 426.860 3.621 50 0 IHAARN COc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)C(C)C)cc1OC ZINC000252480695 569287876 /nfs/dbraw/zinc/28/78/76/569287876.db2.gz CDLHOXWTIHKOIK-AVRDEDQJSA-N 0 0 439.512 3.627 50 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/nfs/dbraw/zinc/31/79/75/569317975.db2.gz ILNWQGBMQYSSHR-HXUWFJFHSA-N 0 0 432.452 3.989 50 0 IHAARN CCCc1nc2ccccc2c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1CC ZINC000019353566 569318904 /nfs/dbraw/zinc/31/89/04/569318904.db2.gz LOEUVIBXBNQRHN-UHFFFAOYSA-N 0 0 442.537 3.633 50 0 IHAARN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 ZINC000078814437 569319320 /nfs/dbraw/zinc/31/93/20/569319320.db2.gz GBLOGLAVEUQFBT-FGZHOGPDSA-N 0 0 435.524 3.912 50 0 IHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000078879486 569320017 /nfs/dbraw/zinc/32/00/17/569320017.db2.gz HPMBFDPHFLZFPM-HOTGVXAUSA-N 0 0 442.990 3.722 50 0 IHAARN CCOC(=O)COc1ccc(OCCSc2nnc(Cc3cccs3)n2C)cc1 ZINC000078938417 569320311 /nfs/dbraw/zinc/32/03/11/569320311.db2.gz TYHKSJHYAYGXPL-UHFFFAOYSA-N 0 0 433.555 3.580 50 0 IHAARN CC(=O)N1CCCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c2ccccc21 ZINC000078970136 569320939 /nfs/dbraw/zinc/32/09/39/569320939.db2.gz KCLBLKXUKZIUJC-UHFFFAOYSA-N 0 0 429.524 3.951 50 0 IHAARN 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COc1cccc(NC(=O)c2ccccc2NC(=O)c2cnc3scc(C)n3c2=O)c1 ZINC000095351593 569361871 /nfs/dbraw/zinc/36/18/71/569361871.db2.gz OEKIACJUDGLNDP-UHFFFAOYSA-N 0 0 434.477 3.578 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)nc(CC)n23)s1 ZINC000020384330 569362903 /nfs/dbraw/zinc/36/29/03/569362903.db2.gz VEOXGYCEOPMMRP-UHFFFAOYSA-N 0 0 428.945 3.805 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1Br)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020386220 569363165 /nfs/dbraw/zinc/36/31/65/569363165.db2.gz VIHHEDZIHFJLLW-OAHLLOKOSA-N 0 0 443.301 3.581 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416782 569364650 /nfs/dbraw/zinc/36/46/50/569364650.db2.gz ZMXQLEAIZOLFIU-PXNSSMCTSA-N 0 0 447.539 3.547 50 0 IHAARN O=S(=O)(c1sccc1Br)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 ZINC000095466071 569370793 /nfs/dbraw/zinc/37/07/93/569370793.db2.gz CFMFECXIOKEPRV-SECBINFHSA-N 0 0 444.298 3.752 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(C)c1F ZINC000095447956 569367488 /nfs/dbraw/zinc/36/74/88/569367488.db2.gz QUAFRGRNLIZCGD-UHFFFAOYSA-N 0 0 446.953 3.681 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)s1)NC1(c2ccc(F)cc2F)CCC1 ZINC000095448167 569367514 /nfs/dbraw/zinc/36/75/14/569367514.db2.gz GLEHTRRXPIYLDE-UHFFFAOYSA-N 0 0 429.286 3.714 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000095454065 569368249 /nfs/dbraw/zinc/36/82/49/569368249.db2.gz JWXXUTQMDKGDTJ-NZQKXSOJSA-N 0 0 430.980 3.830 50 0 IHAARN CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n(-c2ncccn2)n1 ZINC000095461278 569369708 /nfs/dbraw/zinc/36/97/08/569369708.db2.gz RJDKSHXGDGTKBU-IBGZPJMESA-N 0 0 438.919 3.645 50 0 IHAARN CC[C@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 ZINC000095462020 569370052 /nfs/dbraw/zinc/37/00/52/569370052.db2.gz AKUXIFWXCWERAH-AVRDEDQJSA-N 0 0 443.569 3.787 50 0 IHAARN CC[C@@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 ZINC000095462019 569370053 /nfs/dbraw/zinc/37/00/53/569370053.db2.gz AKUXIFWXCWERAH-GCJKJVERSA-N 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ZINC000095983410 569377905 /nfs/dbraw/zinc/37/79/05/569377905.db2.gz FXOWTIOYKRVNTG-AWEZNQCLSA-N 0 0 425.451 3.779 50 0 IHAARN O=C(COc1ccc(Cl)cc1C(F)(F)F)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000095997451 569378945 /nfs/dbraw/zinc/37/89/45/569378945.db2.gz RZDSJLKLWQVEIG-AWEZNQCLSA-N 0 0 439.883 3.696 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096097018 569381385 /nfs/dbraw/zinc/38/13/85/569381385.db2.gz GEQOTYABTQFWIN-GXDHUFHOSA-N 0 0 437.359 3.996 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc21 ZINC000096098395 569381588 /nfs/dbraw/zinc/38/15/88/569381588.db2.gz GUOAASSYTBGWKQ-UHFFFAOYSA-N 0 0 427.526 3.921 50 0 IHAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)cc1 ZINC000096099616 569381703 /nfs/dbraw/zinc/38/17/03/569381703.db2.gz SUCHNXPUIGLVNU-UHFFFAOYSA-N 0 0 442.512 3.908 50 0 IHAARN COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096115168 569383132 /nfs/dbraw/zinc/38/31/32/569383132.db2.gz MEKDSOQZHJJKCH-IBGZPJMESA-N 0 0 438.476 3.979 50 0 biogenic IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116692 569383854 /nfs/dbraw/zinc/38/38/54/569383854.db2.gz HQCVEUCMFQVRRG-KUHUBIRLSA-N 0 0 445.541 3.972 50 0 IHAARN COc1ccc2cc([C@@H]3CC(=O)Nc4ccc5nn(-c6ccccc6)nc5c43)c(=O)[nH]c2c1 ZINC000096117499 569384104 /nfs/dbraw/zinc/38/41/04/569384104.db2.gz NRPQHQAVESERIP-KRWDZBQOSA-N 0 0 437.459 3.745 50 0 IHAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117767 569384259 /nfs/dbraw/zinc/38/42/59/569384259.db2.gz HFWUDNXEXUELCY-SGTLLEGYSA-N 0 0 433.530 3.511 50 0 IHAARN COc1cccc2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)c(=O)oc21 ZINC000096119084 569384655 /nfs/dbraw/zinc/38/46/55/569384655.db2.gz OWZWVWSRAVVNAR-AWEZNQCLSA-N 0 0 437.477 3.933 50 0 IHAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122084 569385176 /nfs/dbraw/zinc/38/51/76/569385176.db2.gz KYOIFJAFUAEMIS-UHFFFAOYSA-N 0 0 435.851 3.710 50 0 IHAARN CC[C@H](C)[C@H]1NC2(CCN(C(=O)c3cccc(OC)c3)CC2)N(Cc2ccccc2)C1=O ZINC000096210969 569386638 /nfs/dbraw/zinc/38/66/38/569386638.db2.gz HTYPKZOMUBNIJJ-WMZHIEFXSA-N 0 0 435.568 3.674 50 0 IHAARN CCNC(=O)N(CCOC)Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000096290521 569390919 /nfs/dbraw/zinc/39/09/19/569390919.db2.gz LNIUMZMFJYYCPV-UHFFFAOYSA-N 0 0 440.949 3.594 50 0 IHAARN CC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)Cc1ccc(F)cc1 ZINC000096290716 569391009 /nfs/dbraw/zinc/39/10/09/569391009.db2.gz PGKXDNVHWKQXGC-UHFFFAOYSA-N 0 0 425.460 3.874 50 0 IHAARN CC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)cc1)C(C)C ZINC000096291868 569391133 /nfs/dbraw/zinc/39/11/33/569391133.db2.gz LYUPBMMWZCYVNZ-UHFFFAOYSA-N 0 0 433.526 3.776 50 0 IHAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2N1C[C@H]1CCCO1 ZINC000096293380 569391572 /nfs/dbraw/zinc/39/15/72/569391572.db2.gz IADKWHJJLYNADC-QGZVFWFLSA-N 0 0 427.526 3.744 50 0 IHAARN CCN(CC)C(=O)CN(C)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096297741 569391930 /nfs/dbraw/zinc/39/19/30/569391930.db2.gz HJVZHVCRYNLCQJ-MSUUIHNZSA-N 0 0 430.552 3.938 50 0 IHAARN CC[C@@H](C)c1nc(COC)c(Cc2cccc(C)c2)c(N2CCN(C(=O)N(C)C)CC2)n1 ZINC000096317455 569393470 /nfs/dbraw/zinc/39/34/70/569393470.db2.gz GXUIASOZTJMGQL-LJQANCHMSA-N 0 0 439.604 3.839 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1Cl)c(=O)n2CC(=O)N[C@@H](C)c1ccccc1 ZINC000096318273 569393836 /nfs/dbraw/zinc/39/38/36/569393836.db2.gz HUAXIRLXZHUKGJ-KRWDZBQOSA-N 0 0 447.922 3.992 50 0 IHAARN Cc1ccc(CN2c3ccc(C)cc3OC[C@H]2CC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000096323038 569394971 /nfs/dbraw/zinc/39/49/71/569394971.db2.gz GCTRNIHBEZJMMG-JOCHJYFZSA-N 0 0 436.552 3.827 50 0 IHAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000096372439 569397815 /nfs/dbraw/zinc/39/78/15/569397815.db2.gz KSOCNZJORZGWIB-UHFFFAOYSA-N 0 0 440.503 3.631 50 0 IHAARN CCC(=O)NCc1csc(C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000096372679 569397987 /nfs/dbraw/zinc/39/79/87/569397987.db2.gz RVYBVALDXPQVID-UHFFFAOYSA-N 0 0 442.006 3.532 50 0 IHAARN O=C(NCCc1csc([C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1)C1CC1 ZINC000096373197 569398096 /nfs/dbraw/zinc/39/80/96/569398096.db2.gz TYPVDBZQJPZNFM-SFHVURJKSA-N 0 0 434.565 3.780 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1-c1ccsc1 ZINC000096383290 569398187 /nfs/dbraw/zinc/39/81/87/569398187.db2.gz YQCCQQQLAPWIQP-UHFFFAOYSA-N 0 0 438.933 3.802 50 0 IHAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1cc(F)ccc1Cl ZINC000096386077 569398340 /nfs/dbraw/zinc/39/83/40/569398340.db2.gz ZHLSEKIBXWWYAR-UHFFFAOYSA-N 0 0 442.853 3.608 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)c1 ZINC000096386275 569398426 /nfs/dbraw/zinc/39/84/26/569398426.db2.gz XGFNRHANEYDCBB-UHFFFAOYSA-N 0 0 434.467 3.862 50 0 IHAARN CCCCN1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000096386364 569398566 /nfs/dbraw/zinc/39/85/66/569398566.db2.gz NZDOELUPMQXLPW-UHFFFAOYSA-N 0 0 448.036 3.681 50 0 IHAARN Cc1ccc(F)c(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)c1 ZINC000096399494 569400078 /nfs/dbraw/zinc/40/00/78/569400078.db2.gz CZJCYXNMBDFXIY-UHFFFAOYSA-N 0 0 425.532 3.846 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000096399570 569400137 /nfs/dbraw/zinc/40/01/37/569400137.db2.gz NABGFIUWSMZPDJ-UHFFFAOYSA-N 0 0 425.532 3.928 50 0 IHAARN O=C(/C=C\c1cc(Br)ccc1F)Nc1nc(CN2CCOCC2)cs1 ZINC000096401203 569400527 /nfs/dbraw/zinc/40/05/27/569400527.db2.gz WWAOXQLHEVLWMD-RJRFIUFISA-N 0 0 426.311 3.529 50 0 IHAARN COc1cccc2cc(C(=O)N3CCC(Cc4n[nH]c(=O)n4-c4ccccc4C)CC3)oc21 ZINC000225547704 569404173 /nfs/dbraw/zinc/40/41/73/569404173.db2.gz ADKFUTKTERKLBS-UHFFFAOYSA-N 0 0 446.507 3.719 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC(=O)NCc1ccccc1 ZINC000002620136 569410865 /nfs/dbraw/zinc/41/08/65/569410865.db2.gz MZYHOVPYMHJCJT-UHFFFAOYSA-N 0 0 425.489 3.537 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 ZINC000002620611 569411116 /nfs/dbraw/zinc/41/11/16/569411116.db2.gz SFMMFNGRCNDEBY-UHFFFAOYSA-N 0 0 432.542 3.717 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N1CCCC1 ZINC000002624481 569411569 /nfs/dbraw/zinc/41/15/69/569411569.db2.gz SBTPVILZPRACJQ-UHFFFAOYSA-N 0 0 431.539 3.650 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 ZINC000215685644 569412055 /nfs/dbraw/zinc/41/20/55/569412055.db2.gz MOKVWULACIIHPM-GPCCPHFNSA-N 0 0 433.382 3.753 50 0 IHAARN COc1cc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc(OC)c1OC ZINC000002635885 569412978 /nfs/dbraw/zinc/41/29/78/569412978.db2.gz ZXPYSTRKGWVRFD-UHFFFAOYSA-N 0 0 438.267 3.980 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002636282 569413021 /nfs/dbraw/zinc/41/30/21/569413021.db2.gz DUHSZVWCRZJNEI-SFHVURJKSA-N 0 0 449.459 3.713 50 0 IHAARN Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000002637432 569413142 /nfs/dbraw/zinc/41/31/42/569413142.db2.gz DWAKSVSMJMLSQE-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN CCOc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002637413 569413160 /nfs/dbraw/zinc/41/31/60/569413160.db2.gz NVENDEDMGQSFFE-UHFFFAOYSA-N 0 0 429.476 3.519 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@@H](O)c1ccccc1 ZINC000002638018 569413276 /nfs/dbraw/zinc/41/32/76/569413276.db2.gz GRLKGTKNNKHIHU-FQEVSTJZSA-N 0 0 439.489 3.807 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000002643218 569413937 /nfs/dbraw/zinc/41/39/37/569413937.db2.gz UBVJKBIVBUQKFA-UHFFFAOYSA-N 0 0 443.521 3.797 50 0 IHAARN O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000002658262 569415589 /nfs/dbraw/zinc/41/55/89/569415589.db2.gz LCBPZLZFFJYCMR-UHFFFAOYSA-N 0 0 447.988 3.523 50 0 IHAARN COc1ccc2nc(NC(=O)[C@@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)sc2c1 ZINC000002658202 569415641 /nfs/dbraw/zinc/41/56/41/569415641.db2.gz JXQZEINVYISXKT-IBGZPJMESA-N 0 0 443.525 3.715 50 0 IHAARN COc1ccc(Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000002691131 569416962 /nfs/dbraw/zinc/41/69/62/569416962.db2.gz GGSVKZCTPWYLPS-UHFFFAOYSA-N 0 0 435.501 3.900 50 0 IHAARN COc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)cc1 ZINC000002694934 569417339 /nfs/dbraw/zinc/41/73/39/569417339.db2.gz VQRFCLVYIPVEAY-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN CCOC(=O)[C@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(OC)cc1 ZINC000002706102 569417474 /nfs/dbraw/zinc/41/74/74/569417474.db2.gz HVIWNUZOOUUPTG-INIZCTEOSA-N 0 0 445.570 3.792 50 0 IHAARN COC(=O)[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 ZINC000002706404 569417563 /nfs/dbraw/zinc/41/75/63/569417563.db2.gz VLUJHFTUWFQZJD-ZDUSSCGKSA-N 0 0 433.534 3.759 50 0 IHAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002721045 569418192 /nfs/dbraw/zinc/41/81/92/569418192.db2.gz UEFIBYMIKGOPAN-UHFFFAOYSA-N 0 0 443.594 3.865 50 0 IHAARN CCn1cc(-c2ccnc(SCC(=O)N[C@H](C)c3cc(OC)ccc3OC)n2)c(C)n1 ZINC000002730918 569419211 /nfs/dbraw/zinc/41/92/11/569419211.db2.gz CQKQEYNOFDUXDS-CQSZACIVSA-N 0 0 441.557 3.655 50 0 IHAARN Cc1cccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 ZINC000002764114 569420689 /nfs/dbraw/zinc/42/06/89/569420689.db2.gz DKRGZKSMURVYJU-UHFFFAOYSA-N 0 0 431.517 3.788 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 ZINC000002937321 569426290 /nfs/dbraw/zinc/42/62/90/569426290.db2.gz JDQFWJNQRVBACR-NRFANRHFSA-N 0 0 446.459 3.537 50 0 IHAARN Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)c1C ZINC000057350623 569431269 /nfs/dbraw/zinc/43/12/69/569431269.db2.gz PFLMDJVZENNFTA-UHFFFAOYSA-N 0 0 434.584 3.737 50 0 IHAARN CCOC(Cn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O)OCC ZINC000002971830 569433465 /nfs/dbraw/zinc/43/34/65/569433465.db2.gz RNIPXCQYKCGTBH-UHFFFAOYSA-N 0 0 441.553 3.835 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000057416611 569434308 /nfs/dbraw/zinc/43/43/08/569434308.db2.gz DFEKXWBMHSKZBL-INIZCTEOSA-N 0 0 445.922 3.580 50 0 IHAARN CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC ZINC000057425612 569434403 /nfs/dbraw/zinc/43/44/03/569434403.db2.gz YPXMXCQSPPWWKH-UHFFFAOYSA-N 0 0 431.583 3.866 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O ZINC000057426928 569434703 /nfs/dbraw/zinc/43/47/03/569434703.db2.gz NQPFMAQDQVDHDV-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)cc1 ZINC000057426984 569434728 /nfs/dbraw/zinc/43/47/28/569434728.db2.gz DWSORQMATKMWNH-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN CC(C)c1ccc(-n2ncc3c2ncn(CC(=O)NCc2ccc(Cl)cc2)c3=O)cc1 ZINC000057486538 569436483 /nfs/dbraw/zinc/43/64/83/569436483.db2.gz DMPMYUDKMJYYNJ-UHFFFAOYSA-N 0 0 435.915 3.675 50 0 IHAARN COc1cccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000057487103 569436639 /nfs/dbraw/zinc/43/66/39/569436639.db2.gz LLOGTSJAWBPKEW-HNNXBMFYSA-N 0 0 446.463 3.820 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000057487139 569436647 /nfs/dbraw/zinc/43/66/47/569436647.db2.gz FEYCDQJVODSFSB-UHFFFAOYSA-N 0 0 434.452 3.870 50 0 IHAARN COc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000057487105 569436668 /nfs/dbraw/zinc/43/66/68/569436668.db2.gz SPJZBQHGXIYXKR-HNNXBMFYSA-N 0 0 446.463 3.820 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)NCc1ccco1 ZINC000057489190 569436993 /nfs/dbraw/zinc/43/69/93/569436993.db2.gz JFGKKPIIYFHJGP-UHFFFAOYSA-N 0 0 433.461 3.727 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1C ZINC000057491221 569437306 /nfs/dbraw/zinc/43/73/06/569437306.db2.gz CJWPLWKSJWCXGT-UHFFFAOYSA-N 0 0 447.560 3.580 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)NCCC1=CCCCC1 ZINC000057491739 569437355 /nfs/dbraw/zinc/43/73/55/569437355.db2.gz SNTWVTBVUAGGQX-UHFFFAOYSA-N 0 0 443.956 3.874 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)Nc1cccc(F)c1 ZINC000057491940 569437392 /nfs/dbraw/zinc/43/73/92/569437392.db2.gz QRSPXXYKBBRAJD-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1 ZINC000057492253 569437431 /nfs/dbraw/zinc/43/74/31/569437431.db2.gz SBTUWVOGRKAAJD-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1 ZINC000057492627 569437445 /nfs/dbraw/zinc/43/74/45/569437445.db2.gz VIXRMBFMVNVEBV-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000057492530 569437449 /nfs/dbraw/zinc/43/74/49/569437449.db2.gz MDVQYRQFGTWGMO-KRWDZBQOSA-N 0 0 425.554 3.622 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c(C)c1 ZINC000057492818 569437501 /nfs/dbraw/zinc/43/75/01/569437501.db2.gz DPMNNNVIMUETKJ-UHFFFAOYSA-N 0 0 448.548 3.535 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1 ZINC000057492801 569437514 /nfs/dbraw/zinc/43/75/14/569437514.db2.gz ZTTTYTPTUNLQCW-IBGZPJMESA-N 0 0 445.544 3.634 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)cc1C ZINC000057493641 569437553 /nfs/dbraw/zinc/43/75/53/569437553.db2.gz WVAWRJSWHCLQIE-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O ZINC000057493655 569437554 /nfs/dbraw/zinc/43/75/54/569437554.db2.gz PNPXSEYPUSXUMF-UHFFFAOYSA-N 0 0 449.507 3.789 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)cc1C ZINC000057494221 569437664 /nfs/dbraw/zinc/43/76/64/569437664.db2.gz PDEPNQKLCRWHFY-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000003031364 569437698 /nfs/dbraw/zinc/43/76/98/569437698.db2.gz TUJORLJGFQSYKD-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2F)c1 ZINC000003032175 569437761 /nfs/dbraw/zinc/43/77/61/569437761.db2.gz DHXFQWLONLWVBF-UHFFFAOYSA-N 0 0 440.496 3.834 50 0 IHAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000003031886 569437765 /nfs/dbraw/zinc/43/77/65/569437765.db2.gz SHXPBNYLMXEHAH-UHFFFAOYSA-N 0 0 428.485 3.955 50 0 IHAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003032521 569437837 /nfs/dbraw/zinc/43/78/37/569437837.db2.gz KEKKXIQFSWRGAE-QFIPXVFZSA-N 0 0 442.512 3.560 50 0 IHAARN CCOC(CNC(=O)c1cnn2c1nc(C)c(Cc1c(F)cccc1Cl)c2C)OCC ZINC000003033817 569437883 /nfs/dbraw/zinc/43/78/83/569437883.db2.gz KAXHCYQSGOLGFE-UHFFFAOYSA-N 0 0 448.926 3.858 50 0 IHAARN CCCCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2c1=O ZINC000057510635 569438356 /nfs/dbraw/zinc/43/83/56/569438356.db2.gz DJEQDIKEPOMCDL-UHFFFAOYSA-N 0 0 441.285 3.969 50 0 IHAARN CCOc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4OC)n3)c2C)cc1 ZINC000057511000 569438583 /nfs/dbraw/zinc/43/85/83/569438583.db2.gz UVTHZKYTNBKFLT-UHFFFAOYSA-N 0 0 436.497 3.754 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)oc2c1 ZINC000057722558 569441063 /nfs/dbraw/zinc/44/10/63/569441063.db2.gz YBZTYMNWSJEIHQ-UHFFFAOYSA-N 0 0 446.415 3.954 50 0 IHAARN O=C(CNc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000057758796 569441324 /nfs/dbraw/zinc/44/13/24/569441324.db2.gz WVWUCYYIIUNSER-QFIPXVFZSA-N 0 0 449.551 3.860 50 0 IHAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000003187322 569441361 /nfs/dbraw/zinc/44/13/61/569441361.db2.gz AAAGDBJCICWQRC-FUNVUKJBSA-N 0 0 432.464 3.746 50 0 IHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003217047 569441863 /nfs/dbraw/zinc/44/18/63/569441863.db2.gz XBFHKAIXPRZLNC-OAHLLOKOSA-N 0 0 436.489 3.808 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 ZINC000003227684 569442205 /nfs/dbraw/zinc/44/22/05/569442205.db2.gz BXDZRKNMBDLWLP-UHFFFAOYSA-N 0 0 436.555 3.660 50 0 IHAARN O=C(NCCc1ccccc1F)C1CCN(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000057861994 569442215 /nfs/dbraw/zinc/44/22/15/569442215.db2.gz DPAZYXPLDMVEHJ-UHFFFAOYSA-N 0 0 435.503 3.614 50 0 IHAARN CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl ZINC000003236493 569442455 /nfs/dbraw/zinc/44/24/55/569442455.db2.gz RZDZVQYVMIIYCW-ZDUSSCGKSA-N 0 0 428.798 3.568 50 0 IHAARN O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003257138 569443117 /nfs/dbraw/zinc/44/31/17/569443117.db2.gz DXSKNQULYUFSPZ-UHFFFAOYSA-N 0 0 433.839 3.791 50 0 IHAARN O=C(COC(=O)CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 ZINC000003268975 569443496 /nfs/dbraw/zinc/44/34/96/569443496.db2.gz JJHZFVBTQQPZOD-UHFFFAOYSA-N 0 0 443.912 3.765 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1cccc[n+]1[O-])CC2 ZINC000003278835 569443805 /nfs/dbraw/zinc/44/38/05/569443805.db2.gz UNZBBIHYMCMNSB-DEOSSOPVSA-N 0 0 436.533 3.604 50 0 IHAARN CSc1ncc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1-c1ccc(F)cc1 ZINC000030566859 569443857 /nfs/dbraw/zinc/44/38/57/569443857.db2.gz WIXSLHCDEGTTAD-UHFFFAOYSA-N 0 0 444.576 3.988 50 0 IHAARN COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003288349 569444200 /nfs/dbraw/zinc/44/42/00/569444200.db2.gz OLHWWGKDURIRSD-UHFFFAOYSA-N 0 0 446.422 3.679 50 0 IHAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C)c1ccccc1 ZINC000003303708 569445150 /nfs/dbraw/zinc/44/51/50/569445150.db2.gz PDJVTFVUOBTRGL-INIZCTEOSA-N 0 0 444.532 3.959 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000003303256 569445154 /nfs/dbraw/zinc/44/51/54/569445154.db2.gz MNKPGMIJZQEQHB-UHFFFAOYSA-N 0 0 441.427 3.530 50 0 IHAARN Nc1cccc2c1C(=O)N(C(=O)/C=C/c1cn(-c3ccccc3)nc1-c1ccccc1)C2=O ZINC000003306136 569445246 /nfs/dbraw/zinc/44/52/46/569445246.db2.gz ZAQWHDPKIRLTEJ-CCEZHUSRSA-N 0 0 434.455 3.958 50 0 IHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000003310316 569445376 /nfs/dbraw/zinc/44/53/76/569445376.db2.gz APKHKDQJAXLKHB-QGZVFWFLSA-N 0 0 432.542 3.960 50 0 IHAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000003325714 569446180 /nfs/dbraw/zinc/44/61/80/569446180.db2.gz QOPMCBVNMKJROB-UHFFFAOYSA-N 0 0 428.400 3.865 50 0 IHAARN COCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 ZINC000003326934 569446244 /nfs/dbraw/zinc/44/62/44/569446244.db2.gz GEBXDXYHWRRRJJ-HUUCEWRRSA-N 0 0 449.642 3.865 50 0 IHAARN Cc1ccc2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc(=O)n2c1 ZINC000003331150 569446494 /nfs/dbraw/zinc/44/64/94/569446494.db2.gz BOKLQZOHPGWLBP-MRXNPFEDSA-N 0 0 439.566 3.794 50 0 IHAARN Cc1ccc2c(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc(=O)oc2c1 ZINC000003346343 569447093 /nfs/dbraw/zinc/44/70/93/569447093.db2.gz NTSCXNLTQBCXAL-FQEVSTJZSA-N 0 0 431.444 3.779 50 0 IHAARN CCN1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccc(C)cc4)c3C)nc2C)CC1 ZINC000058095853 569447317 /nfs/dbraw/zinc/44/73/17/569447317.db2.gz SISDXMBUHUEKNF-UHFFFAOYSA-N 0 0 437.613 3.931 50 0 IHAARN COc1ccc([C@H]2C=C(c3ccccc3)N=c3sc(=C4SCCS4)c(=O)n32)cc1 ZINC000003353296 569447473 /nfs/dbraw/zinc/44/74/73/569447473.db2.gz WZMBNJOIFYVWAO-GOSISDBHSA-N 0 0 438.599 3.728 50 0 IHAARN CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000058105999 569447549 /nfs/dbraw/zinc/44/75/49/569447549.db2.gz QNTSYZZRVUHCEQ-MRXNPFEDSA-N 0 0 427.339 3.878 50 0 IHAARN C[C@H]1CN(Cc2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)C[C@H](C)O1 ZINC000058110134 569447595 /nfs/dbraw/zinc/44/75/95/569447595.db2.gz RHTRGWYKIFFUPL-KBPBESRZSA-N 0 0 431.949 3.844 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)OCC(=O)NCC(F)(F)F)cc12 ZINC000003383930 569448929 /nfs/dbraw/zinc/44/89/29/569448929.db2.gz SOFOVXJSJOPOMS-UHFFFAOYSA-N 0 0 425.432 3.598 50 0 IHAARN Cn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000058157698 569449006 /nfs/dbraw/zinc/44/90/06/569449006.db2.gz RHCZLBMIMSTQMU-OAHLLOKOSA-N 0 0 439.313 3.841 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000003390401 569449235 /nfs/dbraw/zinc/44/92/35/569449235.db2.gz BVRPDBLGTJBGHH-UHFFFAOYSA-N 0 0 442.484 3.832 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(F)cc1 ZINC000003393500 569449361 /nfs/dbraw/zinc/44/93/61/569449361.db2.gz GXOXOUCCSGECJK-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2Cl)cc1 ZINC000003408673 569449997 /nfs/dbraw/zinc/44/99/97/569449997.db2.gz JZDNKCDAGGZXPW-UHFFFAOYSA-N 0 0 442.928 3.837 50 0 IHAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)NC(=O)NCc1ccccc1 ZINC000003409528 569450059 /nfs/dbraw/zinc/45/00/59/569450059.db2.gz NBVCXALFZYFRFR-UHFFFAOYSA-N 0 0 436.468 3.902 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 ZINC000003427752 569450632 /nfs/dbraw/zinc/45/06/32/569450632.db2.gz IUYRDWMUWXDAGK-UHFFFAOYSA-N 0 0 431.539 3.742 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000003427933 569450652 /nfs/dbraw/zinc/45/06/52/569450652.db2.gz DEYZQRDLGZNUPB-UHFFFAOYSA-N 0 0 449.532 3.715 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)cs2)cc1 ZINC000003435690 569450969 /nfs/dbraw/zinc/45/09/69/569450969.db2.gz VFKUMDIWDWNXKE-HXUWFJFHSA-N 0 0 442.562 3.548 50 0 IHAARN CCn1c(SCCCC(=O)N2CCOCC2)nc2scc(-c3cccs3)c2c1=O ZINC000003450038 569451586 /nfs/dbraw/zinc/45/15/86/569451586.db2.gz JDGYSVIPGKXHAQ-UHFFFAOYSA-N 0 0 449.623 3.938 50 0 IHAARN Cc1sc2nc(SCCCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2c1C ZINC000003449745 569451621 /nfs/dbraw/zinc/45/16/21/569451621.db2.gz QNMZGASSSPVKQL-UHFFFAOYSA-N 0 0 443.594 3.795 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2C1=O ZINC000003475621 569452165 /nfs/dbraw/zinc/45/21/65/569452165.db2.gz OQJHUWATHGEELM-IAGOWNOFSA-N 0 0 434.492 3.742 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000003491824 569452543 /nfs/dbraw/zinc/45/25/43/569452543.db2.gz YMYZTAKXEMBYMZ-UHFFFAOYSA-N 0 0 438.513 3.658 50 0 IHAARN COc1ccc2cc(CNC(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)ccc2c1 ZINC000031036511 569452713 /nfs/dbraw/zinc/45/27/13/569452713.db2.gz YFYBSYRLIFDJNF-UHFFFAOYSA-N 0 0 449.551 3.893 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)NCc1ccccc1 ZINC000003502998 569452880 /nfs/dbraw/zinc/45/28/80/569452880.db2.gz HUKHCMFIWMXASH-UHFFFAOYSA-N 0 0 448.862 3.614 50 0 IHAARN Cc1occc1-c1nnc(SCn2nnc3ccccc3c2=O)n1Cc1ccccc1 ZINC000003536105 569453498 /nfs/dbraw/zinc/45/34/98/569453498.db2.gz ZRHRLNQEHYADER-UHFFFAOYSA-N 0 0 430.493 3.750 50 0 IHAARN C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)N1CCc2ccccc21 ZINC000003544855 569453671 /nfs/dbraw/zinc/45/36/71/569453671.db2.gz FROXRWDLSIPMDV-CYBMUJFWSA-N 0 0 425.579 3.944 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031127356 569453779 /nfs/dbraw/zinc/45/37/79/569453779.db2.gz HHRUQQLPXYMTGL-DOTOQJQBSA-N 0 0 427.526 3.679 50 0 IHAARN CN(CCCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)S(=O)(=O)c1cccs1 ZINC000031126931 569453801 /nfs/dbraw/zinc/45/38/01/569453801.db2.gz IFGLFZWCSIOOFN-INIZCTEOSA-N 0 0 447.582 3.696 50 0 IHAARN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003551654 569453846 /nfs/dbraw/zinc/45/38/46/569453846.db2.gz ZFMJEWABBQTYEH-INIZCTEOSA-N 0 0 429.436 3.639 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000031202475 569454808 /nfs/dbraw/zinc/45/48/08/569454808.db2.gz BDXVCEWZKPVUBY-SFHVURJKSA-N 0 0 440.500 3.728 50 0 IHAARN O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 ZINC000003654269 569455743 /nfs/dbraw/zinc/45/57/43/569455743.db2.gz DRVXIJPJHHTJGM-UHFFFAOYSA-N 0 0 431.516 3.881 50 0 IHAARN C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O ZINC000031390625 569456271 /nfs/dbraw/zinc/45/62/71/569456271.db2.gz SUIUKDOCRYHHKO-LIRRHRJNSA-N 0 0 441.578 3.984 50 0 IHAARN CC[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1cc(C)on1 ZINC000031635479 569456911 /nfs/dbraw/zinc/45/69/11/569456911.db2.gz LUMQSYJHBCWJRI-SFHVURJKSA-N 0 0 431.452 3.805 50 0 IHAARN CN(C)C(=O)c1cccc(NC(=O)c2ccc(Cl)c(I)c2)c1 ZINC000031717696 569457031 /nfs/dbraw/zinc/45/70/31/569457031.db2.gz GNDCJTRDCZAHTF-UHFFFAOYSA-N 0 0 428.657 3.899 50 0 IHAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000058810667 569457047 /nfs/dbraw/zinc/45/70/47/569457047.db2.gz SIJIMJBRVRDWIX-INIZCTEOSA-N 0 0 427.526 3.531 50 0 IHAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cn4nc5ccccn5c4=S)CC3)n2)cc1 ZINC000031784195 569457419 /nfs/dbraw/zinc/45/74/19/569457419.db2.gz QTYGPYBRWHRIIL-QGZVFWFLSA-N 0 0 435.557 3.560 50 0 IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000031786500 569457446 /nfs/dbraw/zinc/45/74/46/569457446.db2.gz IHXOUTAGBMQOLI-UHFFFAOYSA-N 0 0 438.330 3.597 50 0 IHAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032093238 569459683 /nfs/dbraw/zinc/45/96/83/569459683.db2.gz UGRIRRHXHGXIQW-QFIPXVFZSA-N 0 0 427.932 3.952 50 0 IHAARN O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000059251005 569460607 /nfs/dbraw/zinc/46/06/07/569460607.db2.gz ZDMLJLQBIFICKS-SNVBAGLBSA-N 0 0 439.107 3.598 50 0 IHAARN O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000032408962 569461576 /nfs/dbraw/zinc/46/15/76/569461576.db2.gz LRTDOZNFEGFCBK-UHFFFAOYSA-N 0 0 437.431 3.690 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(Br)c3)CC2)nn1 ZINC000038488097 569462948 /nfs/dbraw/zinc/46/29/48/569462948.db2.gz PQODOBUSWVQMIY-UHFFFAOYSA-N 0 0 438.329 3.572 50 0 IHAARN COc1ccc(-c2ccc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nn2)cc1 ZINC000038488105 569463048 /nfs/dbraw/zinc/46/30/48/569463048.db2.gz MMLXCQAARHTYEC-UHFFFAOYSA-N 0 0 441.535 3.535 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N[C@@H](C)c2cccc(OC)c2)cc(OCC)c1OCC ZINC000067197571 569464468 /nfs/dbraw/zinc/46/44/68/569464468.db2.gz OBPAHPORXZQKGH-INIZCTEOSA-N 0 0 445.512 3.926 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)NCc2ccc(CC)cc2)cc(OCC)c1OCC ZINC000067197561 569464469 /nfs/dbraw/zinc/46/44/69/569464469.db2.gz FDJZXJROPVNDHA-UHFFFAOYSA-N 0 0 429.513 3.918 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c(OC)c1 ZINC000067205983 569464640 /nfs/dbraw/zinc/46/46/40/569464640.db2.gz KMXAMMOCSOGVRE-UHFFFAOYSA-N 0 0 437.452 3.502 50 0 IHAARN O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc(Br)cc1 ZINC000067206956 569464728 /nfs/dbraw/zinc/46/47/28/569464728.db2.gz OFYMBKFUBOSYNZ-UHFFFAOYSA-N 0 0 443.688 3.857 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)c1 ZINC000067218491 569465014 /nfs/dbraw/zinc/46/50/14/569465014.db2.gz LUTCBCAMHUFNTI-UHFFFAOYSA-N 0 0 433.533 3.802 50 0 IHAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c2s1 ZINC000067225686 569465176 /nfs/dbraw/zinc/46/51/76/569465176.db2.gz WANXOSYXVAKSKN-UHFFFAOYSA-N 0 0 439.928 3.782 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236615 569465450 /nfs/dbraw/zinc/46/54/50/569465450.db2.gz MWPDKRYPYJFRCP-UHFFFAOYSA-N 0 0 433.537 3.819 50 0 IHAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccccc4)s3)c2C)cc1 ZINC000038654936 569465805 /nfs/dbraw/zinc/46/58/05/569465805.db2.gz FLEGAJMXZZSXKG-UHFFFAOYSA-N 0 0 433.537 3.989 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(F)cc4F)nc23)c(C)c1 ZINC000067255617 569466075 /nfs/dbraw/zinc/46/60/75/569466075.db2.gz PHAYAGWUMARZJI-UHFFFAOYSA-N 0 0 441.463 3.576 50 0 IHAARN CSc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000067261096 569466442 /nfs/dbraw/zinc/46/64/42/569466442.db2.gz SRTVGTNCRQNBEX-UHFFFAOYSA-N 0 0 436.512 3.731 50 0 IHAARN COc1ccccc1C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CCOCC1 ZINC000038680290 569466743 /nfs/dbraw/zinc/46/67/43/569466743.db2.gz PHAUYHIECZHNMY-FQEVSTJZSA-N 0 0 436.552 3.530 50 0 IHAARN COc1cccc(-c2cc3c(N4CCN(c5ccc(C(C)=O)cc5)CC4)nccn3n2)c1 ZINC000067284912 569466818 /nfs/dbraw/zinc/46/68/18/569466818.db2.gz KKZLLDZOMCNHHY-UHFFFAOYSA-N 0 0 427.508 3.934 50 0 IHAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccc(C)cc3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067299684 569468155 /nfs/dbraw/zinc/46/81/55/569468155.db2.gz KACVXZDHTSYXKQ-INIZCTEOSA-N 0 0 436.537 3.952 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N(C)c2cccc(Cl)c2)c(=O)c1CCO ZINC000067300698 569468209 /nfs/dbraw/zinc/46/82/09/569468209.db2.gz HHGXHQJSRKJFEI-UHFFFAOYSA-N 0 0 446.334 3.723 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccccc1Br ZINC000067322351 569468702 /nfs/dbraw/zinc/46/87/02/569468702.db2.gz DYAZVEFLVOFPOQ-UHFFFAOYSA-N 0 0 446.280 3.688 50 0 IHAARN CSc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 ZINC000067334584 569468850 /nfs/dbraw/zinc/46/88/50/569468850.db2.gz LXCLRIOUHXYPBS-UHFFFAOYSA-N 0 0 436.537 3.757 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCCC1)[C@H]1c3ccccc3CCN1C2=O ZINC000008661659 569469860 /nfs/dbraw/zinc/46/98/60/569469860.db2.gz AIKGQVKZHWQDRJ-BJKOFHAPSA-N 0 0 434.536 3.943 50 0 IHAARN O=c1c2ccccc2nc(SCCOc2ccc(Br)cc2)n1CCCO ZINC000008705434 569470405 /nfs/dbraw/zinc/47/04/05/569470405.db2.gz DHYDJXRAPGMVGS-UHFFFAOYSA-N 0 0 435.343 3.713 50 0 IHAARN COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000008717600 569471140 /nfs/dbraw/zinc/47/11/40/569471140.db2.gz KXWUASOKXYIAIQ-JOCHJYFZSA-N 0 0 447.539 3.590 50 0 IHAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008718743 569471298 /nfs/dbraw/zinc/47/12/98/569471298.db2.gz ORZYUYYOZRCEKA-CQSZACIVSA-N 0 0 426.523 3.928 50 0 IHAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008718712 569471306 /nfs/dbraw/zinc/47/13/06/569471306.db2.gz QFLAOGSFFVGKSQ-OXJNMPFZSA-N 0 0 445.610 3.541 50 0 IHAARN CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccccc1F ZINC000008718634 569471316 /nfs/dbraw/zinc/47/13/16/569471316.db2.gz ONBCYFDLPWDZGB-UHFFFAOYSA-N 0 0 433.553 3.991 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008719107 569471361 /nfs/dbraw/zinc/47/13/61/569471361.db2.gz YFOLKIGUROWNRM-CRICUBBOSA-N 0 0 437.540 3.669 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000008719364 569471428 /nfs/dbraw/zinc/47/14/28/569471428.db2.gz HKHQOGYRHGRNHW-QGZVFWFLSA-N 0 0 443.569 3.519 50 0 IHAARN COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 ZINC000008723698 569471900 /nfs/dbraw/zinc/47/19/00/569471900.db2.gz ODSFLUYBWVYFPU-CXAGYDPISA-N 0 0 443.569 3.517 50 0 IHAARN Cc1sc2ncnc(N[C@H](C)C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2c1C ZINC000008724261 569471942 /nfs/dbraw/zinc/47/19/42/569471942.db2.gz AXWXUUBIHQFAGE-MRXNPFEDSA-N 0 0 443.617 3.750 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)c1ccccc1Cl ZINC000008728046 569472404 /nfs/dbraw/zinc/47/24/04/569472404.db2.gz QIBZWQOSWKCGKI-UHFFFAOYSA-N 0 0 439.737 3.890 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O ZINC000008734661 569472597 /nfs/dbraw/zinc/47/25/97/569472597.db2.gz HSONPRXCZZXMOQ-XXFAHNHDSA-N 0 0 425.308 3.561 50 0 IHAARN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000008748814 569473241 /nfs/dbraw/zinc/47/32/41/569473241.db2.gz FKAZWDLOLMCKNO-INIZCTEOSA-N 0 0 434.583 3.989 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000008767670 569474919 /nfs/dbraw/zinc/47/49/19/569474919.db2.gz QOMIDYLSYMGXAO-UHFFFAOYSA-N 0 0 439.737 3.646 50 0 IHAARN COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)cc1OC ZINC000008768246 569474950 /nfs/dbraw/zinc/47/49/50/569474950.db2.gz SSXNEDQNRDMPET-LJQANCHMSA-N 0 0 449.345 3.537 50 0 IHAARN CC(C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 ZINC000008769406 569475089 /nfs/dbraw/zinc/47/50/89/569475089.db2.gz NECKCAQRKTUACT-JOCHJYFZSA-N 0 0 433.512 3.669 50 0 IHAARN O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000008779064 569475549 /nfs/dbraw/zinc/47/55/49/569475549.db2.gz ISEAVOAVVCFVLX-MRXNPFEDSA-N 0 0 432.517 3.692 50 0 IHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c2c1C ZINC000008788900 569475855 /nfs/dbraw/zinc/47/58/55/569475855.db2.gz FHBUEPOVMMHJQU-UHFFFAOYSA-N 0 0 440.308 3.889 50 0 IHAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008788808 569475876 /nfs/dbraw/zinc/47/58/76/569475876.db2.gz RBQMCSDWDAZNGM-DWXRJYCRSA-N 0 0 447.535 3.627 50 0 biogenic IHAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccccc1 ZINC000008833857 569477877 /nfs/dbraw/zinc/47/78/77/569477877.db2.gz PMMCUNXLKJUCMK-HNNXBMFYSA-N 0 0 431.320 3.728 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840624 569478291 /nfs/dbraw/zinc/47/82/91/569478291.db2.gz GDJVBXWKOQQAIH-UHFFFAOYSA-N 0 0 449.532 3.925 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2CCC1=O ZINC000008840586 569478348 /nfs/dbraw/zinc/47/83/48/569478348.db2.gz AOFXKJGTHCQQBJ-UHFFFAOYSA-N 0 0 429.542 3.771 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000008845285 569478680 /nfs/dbraw/zinc/47/86/80/569478680.db2.gz LNTXPLMFUYWRMB-QHCPKHFHSA-N 0 0 437.496 3.858 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(OCc3ccccc3)cc2)N1CCO ZINC000008845659 569478803 /nfs/dbraw/zinc/47/88/03/569478803.db2.gz DPKDVOXJQCSEAE-VWLOTQADSA-N 0 0 441.487 3.899 50 0 IHAARN CN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008855755 569479726 /nfs/dbraw/zinc/47/97/26/569479726.db2.gz UPJTYQCJEBXYQJ-LJQANCHMSA-N 0 0 443.956 3.511 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1OC ZINC000008860719 569479909 /nfs/dbraw/zinc/47/99/09/569479909.db2.gz KPMQIAGXRQMVAI-UHFFFAOYSA-N 0 0 440.437 3.825 50 0 IHAARN CCn1c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2nc(C)c1=O ZINC000008862047 569480100 /nfs/dbraw/zinc/48/01/00/569480100.db2.gz UUTSFXLNBKTKFV-UHFFFAOYSA-N 0 0 442.523 3.962 50 0 IHAARN O=C(CCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000008876774 569481151 /nfs/dbraw/zinc/48/11/51/569481151.db2.gz AXBXYLACBCOOBD-UHFFFAOYSA-N 0 0 441.534 3.939 50 0 IHAARN CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)c1 ZINC000039517095 569481671 /nfs/dbraw/zinc/48/16/71/569481671.db2.gz UZISRCGNGCKTDI-UHFFFAOYSA-N 0 0 427.507 3.884 50 0 IHAARN CCN1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000039844363 569481890 /nfs/dbraw/zinc/48/18/90/569481890.db2.gz DTMVTJYCTJVBFZ-UHFFFAOYSA-N 0 0 431.945 3.970 50 0 IHAARN CSc1ncc(C(=O)O[C@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000039996279 569482405 /nfs/dbraw/zinc/48/24/05/569482405.db2.gz CBIOAJBOWJIIHJ-CYBMUJFWSA-N 0 0 431.464 3.734 50 0 IHAARN Cc1nc(COc2cccc(C(=O)Nc3nc(CN4CCOCC4)cs3)c2)cs1 ZINC000040012204 569482522 /nfs/dbraw/zinc/48/25/22/569482522.db2.gz FBDVQZLKSPVOQG-UHFFFAOYSA-N 0 0 430.555 3.572 50 0 IHAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000040009633 569482528 /nfs/dbraw/zinc/48/25/28/569482528.db2.gz TWHDFXWBUBSZRD-UHFFFAOYSA-N 0 0 437.569 3.518 50 0 IHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000040013759 569482587 /nfs/dbraw/zinc/48/25/87/569482587.db2.gz BFRTYOAYCXXFDC-UHFFFAOYSA-N 0 0 437.492 3.863 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008890592 569483262 /nfs/dbraw/zinc/48/32/62/569483262.db2.gz NXAAKKHOIUCDPR-IBGZPJMESA-N 0 0 437.805 3.691 50 0 IHAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000008889508 569483281 /nfs/dbraw/zinc/48/32/81/569483281.db2.gz AKBNZNSUFSEMGN-CQSZACIVSA-N 0 0 439.537 3.675 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CNC(=O)NCc1ccccc1 ZINC000040040452 569483448 /nfs/dbraw/zinc/48/34/48/569483448.db2.gz VQVMPUGZFJKVAB-IBGZPJMESA-N 0 0 444.535 3.958 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)NC1CC1 ZINC000008894168 569483683 /nfs/dbraw/zinc/48/36/83/569483683.db2.gz BBWFEQCGJUODGL-UHFFFAOYSA-N 0 0 443.550 3.820 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccnn3C3CCCCC3)C2)s1 ZINC000040047652 569483730 /nfs/dbraw/zinc/48/37/30/569483730.db2.gz YKQXXWKCCVUNNE-INIZCTEOSA-N 0 0 436.603 3.798 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000040051446 569484378 /nfs/dbraw/zinc/48/43/78/569484378.db2.gz BOAJFWDAZKSAND-KRWDZBQOSA-N 0 0 433.533 3.750 50 0 IHAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000040052038 569484516 /nfs/dbraw/zinc/48/45/16/569484516.db2.gz ZHSBCOYKCXJNSX-KRWDZBQOSA-N 0 0 444.582 3.798 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)ccc1C ZINC000040056927 569484545 /nfs/dbraw/zinc/48/45/45/569484545.db2.gz FQDRRICAZLBPLV-UHFFFAOYSA-N 0 0 440.569 3.831 50 0 IHAARN COc1cccc(NC(=O)COC(=O)c2csc(-c3cccc(OC)c3OC)n2)c1 ZINC000040057530 569484635 /nfs/dbraw/zinc/48/46/35/569484635.db2.gz XOBQFEKKWGFWRB-UHFFFAOYSA-N 0 0 428.466 3.631 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 ZINC000008912175 569484981 /nfs/dbraw/zinc/48/49/81/569484981.db2.gz SEMUEMRMSFHJQB-MRXNPFEDSA-N 0 0 446.617 3.775 50 0 IHAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)s1 ZINC000008912372 569484987 /nfs/dbraw/zinc/48/49/87/569484987.db2.gz JAYHXWBIVWTJCG-UHFFFAOYSA-N 0 0 442.971 3.645 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1 ZINC000008912578 569485078 /nfs/dbraw/zinc/48/50/78/569485078.db2.gz WQJXCXNVESAOLH-UHFFFAOYSA-N 0 0 447.535 3.782 50 0 IHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000040070210 569485622 /nfs/dbraw/zinc/48/56/22/569485622.db2.gz HZESWNNCMAWXJJ-INIZCTEOSA-N 0 0 442.585 3.820 50 0 IHAARN O=C(c1ccc(Br)cc1)N(C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008917412 569486037 /nfs/dbraw/zinc/48/60/37/569486037.db2.gz UIQQJKCBRKHTIM-ZLHKHBAESA-N 0 0 434.355 3.792 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccccc3OC)C2=O)cc1OC ZINC000008919138 569486396 /nfs/dbraw/zinc/48/63/96/569486396.db2.gz UUXDWZYXDPGYAA-AREMUKBSSA-N 0 0 447.487 3.720 50 0 IHAARN COc1cccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000008919143 569486402 /nfs/dbraw/zinc/48/64/02/569486402.db2.gz FCMNSKLORRZYHH-SANMLTNESA-N 0 0 447.487 3.720 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2ccccc2S(=O)(=O)[C@@H](c2ccccc2)CC1=O ZINC000008931819 569487592 /nfs/dbraw/zinc/48/75/92/569487592.db2.gz IPCKAJLCFFXVTK-JOCHJYFZSA-N 0 0 434.517 3.885 50 0 IHAARN Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccco4)c(=O)c32)c1 ZINC000008933177 569487776 /nfs/dbraw/zinc/48/77/76/569487776.db2.gz KXNWILAKUXNSPC-UHFFFAOYSA-N 0 0 440.503 3.926 50 0 IHAARN CC(C)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 ZINC000008934504 569487962 /nfs/dbraw/zinc/48/79/62/569487962.db2.gz WPGNFJLMGABLPZ-UHFFFAOYSA-N 0 0 434.565 3.741 50 0 biogenic IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)NC[C@H]2CCOC2)ccc1Cl ZINC000040103193 569488026 /nfs/dbraw/zinc/48/80/26/569488026.db2.gz SJKFPWISCQZPDT-OAHLLOKOSA-N 0 0 437.949 3.713 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)c1 ZINC000040112431 569488935 /nfs/dbraw/zinc/48/89/35/569488935.db2.gz YSQKJMVIOBPAGZ-UHFFFAOYSA-N 0 0 429.476 3.793 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cn2)c1 ZINC000040112455 569488959 /nfs/dbraw/zinc/48/89/59/569488959.db2.gz ALMJRGFWGPMAMU-UHFFFAOYSA-N 0 0 426.476 3.967 50 0 IHAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc(F)c(F)c2)c(NCC(C)C)n1 ZINC000008948880 569489194 /nfs/dbraw/zinc/48/91/94/569489194.db2.gz MUEZZEVSOJSCFU-UHFFFAOYSA-N 0 0 434.516 3.714 50 0 IHAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H](C(=O)NCC(C)C)C3)c12 ZINC000040117736 569489280 /nfs/dbraw/zinc/48/92/80/569489280.db2.gz OCPFHYZJQZPSAE-INIZCTEOSA-N 0 0 438.503 3.962 50 0 IHAARN C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@H](C)O1 ZINC000040121015 569489483 /nfs/dbraw/zinc/48/94/83/569489483.db2.gz NKAQERFPLJBUKR-GJZGRUSLSA-N 0 0 427.372 3.800 50 0 IHAARN Cc1noc2ncc(C(=O)N[C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc12 ZINC000040121248 569489539 /nfs/dbraw/zinc/48/95/39/569489539.db2.gz MADKLNOKUMKAPZ-QGZVFWFLSA-N 0 0 432.402 3.644 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)Nc1ccc3c(c1)OCO3)c2=O ZINC000008955111 569490123 /nfs/dbraw/zinc/49/01/23/569490123.db2.gz ZBLOQTAVKLKDTL-UHFFFAOYSA-N 0 0 434.477 3.504 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc1OC ZINC000008955996 569490165 /nfs/dbraw/zinc/49/01/65/569490165.db2.gz FYRLZGDUJZUTGD-UHFFFAOYSA-N 0 0 442.522 3.546 50 0 IHAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccccc1Cl ZINC000008955718 569490185 /nfs/dbraw/zinc/49/01/85/569490185.db2.gz LQUALTJKQCBKHN-MRXNPFEDSA-N 0 0 432.325 3.975 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000008965807 569491569 /nfs/dbraw/zinc/49/15/69/569491569.db2.gz JERKOPHBERIMOH-UHFFFAOYSA-N 0 0 444.450 3.949 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2)cc1 ZINC000040150138 569493116 /nfs/dbraw/zinc/49/31/16/569493116.db2.gz XCJWVYWXMGDZPG-INIZCTEOSA-N 0 0 425.510 3.724 50 0 IHAARN CNC(=O)[C@@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccccc1 ZINC000040151934 569493346 /nfs/dbraw/zinc/49/33/46/569493346.db2.gz FTJDABOZJGYEGV-SFHVURJKSA-N 0 0 429.929 3.901 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1cnc(N2CCCC2)nc1 ZINC000040152378 569493423 /nfs/dbraw/zinc/49/34/23/569493423.db2.gz ANLLZOFFCXAEBD-HXUWFJFHSA-N 0 0 437.569 3.658 50 0 IHAARN O=C(Nc1ccc(CCN2CCOCC2)cc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000040157057 569494223 /nfs/dbraw/zinc/49/42/23/569494223.db2.gz ZEVAZPFUYVHKNG-UHFFFAOYSA-N 0 0 434.540 3.558 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)Cc2ccco2)cc1 ZINC000040159330 569494708 /nfs/dbraw/zinc/49/47/08/569494708.db2.gz QWOHYBLLCMBNGY-UHFFFAOYSA-N 0 0 434.558 3.708 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000008987434 569494884 /nfs/dbraw/zinc/49/48/84/569494884.db2.gz JHFJSUJQXMPJDY-UHFFFAOYSA-N 0 0 425.554 3.705 50 0 IHAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)CC1 ZINC000008991140 569495226 /nfs/dbraw/zinc/49/52/26/569495226.db2.gz UYPWQRBCHSXJKH-UHFFFAOYSA-N 0 0 440.496 3.616 50 0 IHAARN COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 ZINC000008993664 569495486 /nfs/dbraw/zinc/49/54/86/569495486.db2.gz GYRIRRQIMAUWTC-OALUTQOASA-N 0 0 436.986 3.666 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000009034028 569497220 /nfs/dbraw/zinc/49/72/20/569497220.db2.gz HFUCERTYCQLSKU-GAJHUEQPSA-N 0 0 438.480 3.626 50 0 biogenic IHAARN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F ZINC000040267001 569497344 /nfs/dbraw/zinc/49/73/44/569497344.db2.gz AAOWJLXITPPMDP-LJQANCHMSA-N 0 0 430.386 3.793 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC(C)C ZINC000040268231 569497520 /nfs/dbraw/zinc/49/75/20/569497520.db2.gz BIGVILBUZPKQSQ-OAHLLOKOSA-N 0 0 433.472 3.538 50 0 IHAARN O=S(=O)(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(Cl)ccc1Cl ZINC000245174021 569497969 /nfs/dbraw/zinc/49/79/69/569497969.db2.gz YGNFSOLBSLVZPA-UHFFFAOYSA-N 0 0 441.384 3.610 50 0 IHAARN O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc(CN2CCOCC2)cc1 ZINC000040284925 569497982 /nfs/dbraw/zinc/49/79/82/569497982.db2.gz PUSJJHCMLOMJGS-UHFFFAOYSA-N 0 0 428.330 3.875 50 0 IHAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@H](O)c1ccccc1 ZINC000009044773 569497995 /nfs/dbraw/zinc/49/79/95/569497995.db2.gz BABOHPLXPKWQIW-VLIAUNLRSA-N 0 0 441.911 3.942 50 0 IHAARN O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1Br ZINC000245187647 569498258 /nfs/dbraw/zinc/49/82/58/569498258.db2.gz ZSAQOQIPLNRLEW-INIZCTEOSA-N 0 0 444.397 3.787 50 0 IHAARN COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1OC ZINC000040288497 569498429 /nfs/dbraw/zinc/49/84/29/569498429.db2.gz UYXHIKUWWZIJEV-VWLOTQADSA-N 0 0 446.459 3.692 50 0 IHAARN CCOC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C ZINC000009050000 569498622 /nfs/dbraw/zinc/49/86/22/569498622.db2.gz HKIIGSAFSLEWCM-UHFFFAOYSA-N 0 0 431.901 3.712 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 ZINC000009054557 569498897 /nfs/dbraw/zinc/49/88/97/569498897.db2.gz FCGDKBRWKBKZHD-QHCPKHFHSA-N 0 0 429.520 3.693 50 0 IHAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000009056143 569498987 /nfs/dbraw/zinc/49/89/87/569498987.db2.gz KLZRXHHZJPIHRO-UHFFFAOYSA-N 0 0 443.598 3.823 50 0 IHAARN COc1ccc(CCN(C)C(=O)c2csc(NC(=O)c3ccccc3F)n2)cc1OC ZINC000040355968 569499845 /nfs/dbraw/zinc/49/98/45/569499845.db2.gz MVXXLNDLFFHKLW-UHFFFAOYSA-N 0 0 443.500 3.866 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cccc(F)c1 ZINC000009093007 569501211 /nfs/dbraw/zinc/50/12/11/569501211.db2.gz FINYMFOCFNVQIW-UHFFFAOYSA-N 0 0 435.546 3.509 50 0 IHAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009094882 569501288 /nfs/dbraw/zinc/50/12/88/569501288.db2.gz KNVZWEOOVIKAAE-OAQYLSRUSA-N 0 0 444.940 3.877 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 ZINC000009096888 569501458 /nfs/dbraw/zinc/50/14/58/569501458.db2.gz HNFUHKJAJQAYPC-UHFFFAOYSA-N 0 0 438.590 3.580 50 0 IHAARN Cc1ccc(C(=O)N=c2sccn2Cc2ccccc2Cl)cc1NS(C)(=O)=O ZINC000245285575 569502298 /nfs/dbraw/zinc/50/22/98/569502298.db2.gz XRZGAZQVZXLUKS-UHFFFAOYSA-N 0 0 435.958 3.672 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000009112522 569502401 /nfs/dbraw/zinc/50/24/01/569502401.db2.gz FDGYIKUSCMXOQK-NPMXOYFQSA-N 0 0 425.533 3.522 50 0 IHAARN COc1cccc(CNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)c1OC ZINC000009115311 569502709 /nfs/dbraw/zinc/50/27/09/569502709.db2.gz DQZHTUSLNUXABS-UHFFFAOYSA-N 0 0 428.510 3.567 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)c1 ZINC000009115789 569502802 /nfs/dbraw/zinc/50/28/02/569502802.db2.gz MOKSWUORTPHBMS-SSEXGKCCSA-N 0 0 431.485 3.716 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccco5)CC4)sc3n2)cc1 ZINC000009117350 569503108 /nfs/dbraw/zinc/50/31/08/569503108.db2.gz YHKMTNQMULHXDJ-UHFFFAOYSA-N 0 0 437.525 3.592 50 0 IHAARN CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009119296 569503494 /nfs/dbraw/zinc/50/34/94/569503494.db2.gz KJRWNUSIAPXXHT-UHFFFAOYSA-N 0 0 444.528 3.992 50 0 IHAARN COc1cc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2F)cc(OC)c1OC ZINC000009119601 569503546 /nfs/dbraw/zinc/50/35/46/569503546.db2.gz WQGOOIUTXXCBKA-KRWDZBQOSA-N 0 0 445.472 3.507 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009119853 569503650 /nfs/dbraw/zinc/50/36/50/569503650.db2.gz BMLALBFQQPUOEC-UHFFFAOYSA-N 0 0 449.528 3.964 50 0 IHAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(CCO)C3=O)c1 ZINC000009124036 569504304 /nfs/dbraw/zinc/50/43/04/569504304.db2.gz AVWNQWTVIVPVJQ-IBGZPJMESA-N 0 0 442.313 3.699 50 0 IHAARN CC(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)cc1 ZINC000009124813 569504427 /nfs/dbraw/zinc/50/44/27/569504427.db2.gz GNUOSTUETHJVDN-UHFFFAOYSA-N 0 0 432.528 3.775 50 0 IHAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000009125167 569504586 /nfs/dbraw/zinc/50/45/86/569504586.db2.gz OMSFUPRVZNHDME-FQEVSTJZSA-N 0 0 436.295 3.798 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cs2)cc1 ZINC000009126337 569504932 /nfs/dbraw/zinc/50/49/32/569504932.db2.gz JJJPISZYBBTBQK-OYHNWAKOSA-N 0 0 427.526 3.662 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000009126925 569505110 /nfs/dbraw/zinc/50/51/10/569505110.db2.gz HOQSUAWQAOTTLJ-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1Cl ZINC000009130047 569505900 /nfs/dbraw/zinc/50/59/00/569505900.db2.gz RDCSGMGRKSGSSN-HNNXBMFYSA-N 0 0 425.872 3.793 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)cc1F ZINC000069417910 569506203 /nfs/dbraw/zinc/50/62/03/569506203.db2.gz NJTNMHANCNAEBX-GOSISDBHSA-N 0 0 434.895 3.760 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21 ZINC000040450268 569506268 /nfs/dbraw/zinc/50/62/68/569506268.db2.gz YTATUCGCICKRMK-UHFFFAOYSA-N 0 0 437.359 3.569 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)ccc1OC ZINC000040485057 569506820 /nfs/dbraw/zinc/50/68/20/569506820.db2.gz FJCBZXCJGJWFIF-NRFANRHFSA-N 0 0 435.484 3.622 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCn3c(C)csc3=O)ccc21 ZINC000009130962 569506944 /nfs/dbraw/zinc/50/69/44/569506944.db2.gz BKUCBOVRQVGFKK-UHFFFAOYSA-N 0 0 437.521 3.918 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152714 569507869 /nfs/dbraw/zinc/50/78/69/569507869.db2.gz IJSOXSSTBKDXAS-JTQLQIEISA-N 0 0 442.921 3.714 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1C ZINC000009169054 569509165 /nfs/dbraw/zinc/50/91/65/569509165.db2.gz BEPOSDGOPXYAIL-UHFFFAOYSA-N 0 0 429.498 3.712 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)c1 ZINC000009187603 569510375 /nfs/dbraw/zinc/51/03/75/569510375.db2.gz OHNWVOUTEPDQGC-UHFFFAOYSA-N 0 0 437.504 3.536 50 0 IHAARN NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009189578 569510456 /nfs/dbraw/zinc/51/04/56/569510456.db2.gz UGNLPASQFYOIGF-UHFFFAOYSA-N 0 0 429.505 3.764 50 0 IHAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000009203449 569511274 /nfs/dbraw/zinc/51/12/74/569511274.db2.gz IEDSZXBNXKCAPU-CQSZACIVSA-N 0 0 442.566 3.880 50 0 IHAARN Clc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCCC2)c1 ZINC000009208996 569511489 /nfs/dbraw/zinc/51/14/89/569511489.db2.gz PCBATXFPIIMVRN-UHFFFAOYSA-N 0 0 438.948 3.789 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 ZINC000009219689 569512479 /nfs/dbraw/zinc/51/24/79/569512479.db2.gz CSOFAKIXNKVWJJ-UHFFFAOYSA-N 0 0 432.505 3.950 50 0 IHAARN Cc1cccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)c1 ZINC000009220827 569512641 /nfs/dbraw/zinc/51/26/41/569512641.db2.gz BODOPHWNOIWCRC-MRXNPFEDSA-N 0 0 448.552 3.502 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)OCCOc2ccc(Cl)cc2)c1=O ZINC000009223464 569512950 /nfs/dbraw/zinc/51/29/50/569512950.db2.gz USRJGIACLBWWQF-UHFFFAOYSA-N 0 0 443.912 3.899 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccccc1Cl ZINC000009225948 569513244 /nfs/dbraw/zinc/51/32/44/569513244.db2.gz PHHQWFQGHAFWII-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN Cc1cccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C ZINC000009226342 569513266 /nfs/dbraw/zinc/51/32/66/569513266.db2.gz SNAZRKXZVHFJHC-UKRRQHHQSA-N 0 0 432.567 3.785 50 0 IHAARN Cc1cc(C)c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000009226525 569513309 /nfs/dbraw/zinc/51/33/09/569513309.db2.gz ZUAQPXVEUPNQPC-HNNXBMFYSA-N 0 0 432.567 3.705 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)c1 ZINC000009227715 569513517 /nfs/dbraw/zinc/51/35/17/569513517.db2.gz PMSPPQZIZLXEJM-UHFFFAOYSA-N 0 0 447.314 3.873 50 0 IHAARN CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2Br)CC1 ZINC000069707111 569513806 /nfs/dbraw/zinc/51/38/06/569513806.db2.gz VFPQSHPLPNLLOO-IBGZPJMESA-N 0 0 429.424 3.865 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1Cl ZINC000009238573 569514377 /nfs/dbraw/zinc/51/43/77/569514377.db2.gz FALAYEGCSNZECF-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000009244584 569515120 /nfs/dbraw/zinc/51/51/20/569515120.db2.gz OCHRSTGJLSBUNW-UHFFFAOYSA-N 0 0 430.254 3.968 50 0 IHAARN Cn1c(SCc2ccccc2Cl)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000009249736 569515500 /nfs/dbraw/zinc/51/55/00/569515500.db2.gz AJDQSTLMMBNJAF-HNNXBMFYSA-N 0 0 427.913 3.906 50 0 IHAARN Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000009249735 569515505 /nfs/dbraw/zinc/51/55/05/569515505.db2.gz VCLVNHKGVAGZNH-MRXNPFEDSA-N 0 0 427.913 3.906 50 0 IHAARN Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000009249733 569515506 /nfs/dbraw/zinc/51/55/06/569515506.db2.gz ANNWYMMZXDQVFE-MRXNPFEDSA-N 0 0 427.913 3.906 50 0 IHAARN Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(F)c1F ZINC000009249908 569515553 /nfs/dbraw/zinc/51/55/53/569515553.db2.gz SQKCUOFIIFYCQC-ZDUSSCGKSA-N 0 0 431.439 3.964 50 0 IHAARN CS(=O)(=O)c1nc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c2ccccn21 ZINC000069738933 569515577 /nfs/dbraw/zinc/51/55/77/569515577.db2.gz IKVSROXHUHUOBU-UHFFFAOYSA-N 0 0 429.885 3.581 50 0 IHAARN COc1cc2c(cc1OC)n(CC(=O)Nc1c(C)cc(C)cc1C)n1c2nc(=O)cc1C ZINC000009251502 569515902 /nfs/dbraw/zinc/51/59/02/569515902.db2.gz RTISQFCBXPPUHZ-UHFFFAOYSA-N 0 0 434.496 3.539 50 0 IHAARN CN1c2cc(NC(=O)N3CCC4(CC3)OCCO4)ccc2Sc2ccccc2C1=O ZINC000009251510 569515907 /nfs/dbraw/zinc/51/59/07/569515907.db2.gz KFCKXNXZJJLSTC-UHFFFAOYSA-N 0 0 425.510 3.799 50 0 biogenic IHAARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)NC(=O)NCc1ccco1 ZINC000009254650 569516393 /nfs/dbraw/zinc/51/63/93/569516393.db2.gz JXOKASFZRGQTHQ-UHFFFAOYSA-N 0 0 435.303 3.550 50 0 IHAARN O=C(OCc1nnc(-c2cccs2)o1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009254855 569516399 /nfs/dbraw/zinc/51/63/99/569516399.db2.gz HYNMKYSWJFXYPR-UHFFFAOYSA-N 0 0 444.472 3.913 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)Nc1cccc(I)c1 ZINC000009254905 569516434 /nfs/dbraw/zinc/51/64/34/569516434.db2.gz FVKIKZIYZJKBMG-UHFFFAOYSA-N 0 0 436.278 3.603 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000009255018 569516478 /nfs/dbraw/zinc/51/64/78/569516478.db2.gz UTQYKCPCNXAOEE-HXUWFJFHSA-N 0 0 430.595 3.749 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264081 569517294 /nfs/dbraw/zinc/51/72/94/569517294.db2.gz SHTTXNQRBLYGFZ-AWEZNQCLSA-N 0 0 444.586 3.672 50 0 IHAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000009273615 569518080 /nfs/dbraw/zinc/51/80/80/569518080.db2.gz MPLLCNTWEDYLOI-MRXNPFEDSA-N 0 0 440.565 3.739 50 0 IHAARN Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1C ZINC000009273610 569518087 /nfs/dbraw/zinc/51/80/87/569518087.db2.gz ILZFYWUTPHYNGG-MRXNPFEDSA-N 0 0 440.565 3.794 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)OCO2 ZINC000009290015 569519699 /nfs/dbraw/zinc/51/96/99/569519699.db2.gz PYWFBGKJQFSADI-ZDUSSCGKSA-N 0 0 426.498 3.822 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)OCO2 ZINC000009290017 569519718 /nfs/dbraw/zinc/51/97/18/569519718.db2.gz PYWFBGKJQFSADI-CYBMUJFWSA-N 0 0 426.498 3.822 50 0 IHAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)c1 ZINC000009291932 569519920 /nfs/dbraw/zinc/51/99/20/569519920.db2.gz UEEWQXWRWFFPTO-ZEQRLZLVSA-N 0 0 439.475 3.903 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC ZINC000009291998 569519938 /nfs/dbraw/zinc/51/99/38/569519938.db2.gz FWZAVTNAKIPUEE-KRWDZBQOSA-N 0 0 430.254 3.748 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000009304147 569521129 /nfs/dbraw/zinc/52/11/29/569521129.db2.gz FXBGNFZJYZOWKA-ZDUSSCGKSA-N 0 0 428.514 3.627 50 0 IHAARN COC(=O)c1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009309805 569521640 /nfs/dbraw/zinc/52/16/40/569521640.db2.gz XVQRXKPXDKBDBP-DHIUTWEWSA-N 0 0 437.459 3.672 50 0 IHAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000009315472 569522115 /nfs/dbraw/zinc/52/21/15/569522115.db2.gz FSOTXYLTFVAXIG-SANMLTNESA-N 0 0 443.503 3.854 50 0 IHAARN Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009315355 569522141 /nfs/dbraw/zinc/52/21/41/569522141.db2.gz LBYCWPPHNHDIMO-UHFFFAOYSA-N 0 0 435.553 3.600 50 0 IHAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(OC)c(Cl)c4)C3)n2)c(OC)c1 ZINC000009318505 569522473 /nfs/dbraw/zinc/52/24/73/569522473.db2.gz PYBIEPOUTJMVQC-LBPRGKRZSA-N 0 0 429.860 3.936 50 0 IHAARN COc1ccccc1NCC[NH2+][C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000009326577 569522667 /nfs/dbraw/zinc/52/26/67/569522667.db2.gz WJQKYOQZBFVQSZ-JOCHJYFZSA-N 0 0 449.507 3.971 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3n2)cc1 ZINC000009322852 569522708 /nfs/dbraw/zinc/52/27/08/569522708.db2.gz ODGAYOCETRGJGH-FQEVSTJZSA-N 0 0 427.526 3.575 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000009338598 569523677 /nfs/dbraw/zinc/52/36/77/569523677.db2.gz OKFPXKABPNHLPS-KRWDZBQOSA-N 0 0 442.566 3.583 50 0 IHAARN COc1ccc(NC(=O)C[C@]2(NC(C)=O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000009341989 569523987 /nfs/dbraw/zinc/52/39/87/569523987.db2.gz JKAZFLLKMHUWIP-SANMLTNESA-N 0 0 443.503 3.602 50 0 IHAARN CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccc(OC)cc1 ZINC000009348837 569524570 /nfs/dbraw/zinc/52/45/70/569524570.db2.gz PJOOLBOSKMZPIX-IBGZPJMESA-N 0 0 443.463 3.556 50 0 IHAARN Cc1cc2nc(N(CC(C)C)C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)sc2c(C)c1 ZINC000009349192 569524714 /nfs/dbraw/zinc/52/47/14/569524714.db2.gz JZYUOENTFQLKGD-JOCHJYFZSA-N 0 0 428.558 3.623 50 0 IHAARN CCCCn1cnc2c1c(=O)n(Cc1coc(-c3cccs3)n1)c(=O)n2CC(C)C ZINC000009366008 569526205 /nfs/dbraw/zinc/52/62/05/569526205.db2.gz UZQRFVDVUDYBNC-UHFFFAOYSA-N 0 0 427.530 3.581 50 0 IHAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)s1 ZINC000009368199 569526625 /nfs/dbraw/zinc/52/66/25/569526625.db2.gz WGJKRKGBZIWLQI-UHFFFAOYSA-N 0 0 442.551 3.834 50 0 IHAARN C[C@H]1CN(C(C)(C)CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@H](C)O1 ZINC000069979770 569526799 /nfs/dbraw/zinc/52/67/99/569526799.db2.gz JSNJXZZIQASQMR-IRXDYDNUSA-N 0 0 439.585 3.613 50 0 IHAARN CCCc1cc(N2CCC([C@@H]3CCCCCN3C(=O)NC(C)C)CC2)n2ncnc2n1 ZINC000069979668 569526833 /nfs/dbraw/zinc/52/68/33/569526833.db2.gz UMMOZNBKJWYNQA-FQEVSTJZSA-N 0 0 427.597 3.656 50 0 IHAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 ZINC000069982032 569526906 /nfs/dbraw/zinc/52/69/06/569526906.db2.gz BTKFMVVMJMUVTM-UHFFFAOYSA-N 0 0 442.498 3.920 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cncn2)cc1 ZINC000009377269 569527443 /nfs/dbraw/zinc/52/74/43/569527443.db2.gz NQKYMHCFVIPXHZ-QFBILLFUSA-N 0 0 437.931 3.650 50 0 IHAARN CCCc1noc2nc(C3CC3)cc(C(=O)NCCN3CCN(c4cccc(C)c4)CC3)c12 ZINC000070016540 569528659 /nfs/dbraw/zinc/52/86/59/569528659.db2.gz QMZHAJYVRYOJTA-UHFFFAOYSA-N 0 0 447.583 3.913 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(OC)c1OC ZINC000009390526 569528678 /nfs/dbraw/zinc/52/86/78/569528678.db2.gz DZBVOMNBQLHTCJ-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009397802 569529293 /nfs/dbraw/zinc/52/92/93/569529293.db2.gz UDKOXHGDZKSKHJ-QGZVFWFLSA-N 0 0 442.459 3.841 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OCC2CC2)nc1)c1ccccc1 ZINC000070037274 569529334 /nfs/dbraw/zinc/52/93/34/569529334.db2.gz PNDZSFZLYBMUOQ-QHCPKHFHSA-N 0 0 429.520 3.528 50 0 IHAARN CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000009405024 569529757 /nfs/dbraw/zinc/52/97/57/569529757.db2.gz RGHAHZXAUJTOIB-UHFFFAOYSA-N 0 0 436.946 3.967 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000009405526 569529903 /nfs/dbraw/zinc/52/99/03/569529903.db2.gz LOAFAFCCTJYCQG-UHFFFAOYSA-N 0 0 440.931 3.974 50 0 IHAARN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)c1cccs1 ZINC000009405449 569529904 /nfs/dbraw/zinc/52/99/04/569529904.db2.gz PGSILIXBXVIFIV-QGZVFWFLSA-N 0 0 429.567 3.719 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000009406896 569530179 /nfs/dbraw/zinc/53/01/79/569530179.db2.gz VBFKCQRNMLXHTF-QFBILLFUSA-N 0 0 440.569 3.545 50 0 IHAARN COc1ccc(N(Cc2ccc(F)cc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408237 569530520 /nfs/dbraw/zinc/53/05/20/569530520.db2.gz WYUZNPMRXVWRBY-ZWKOTPCHSA-N 0 0 440.949 3.763 50 0 IHAARN COc1ccc(-c2c3c(cn2-c2cc(N)c(Cl)cc2Cl)n(C)c(=O)n(C)c3=O)cc1 ZINC000009409440 569530960 /nfs/dbraw/zinc/53/09/60/569530960.db2.gz MFFSFFYBUBOCBG-UHFFFAOYSA-N 0 0 445.306 3.593 50 0 IHAARN COc1ccc(-c2c(=O)c3ccc(OS(C)(=O)=O)cc3oc2C(F)(F)F)cc1OC ZINC000009409523 569531046 /nfs/dbraw/zinc/53/10/46/569531046.db2.gz SVPZVHKDJXJLJN-UHFFFAOYSA-N 0 0 444.383 3.834 50 0 biogenic IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@@](=O)C2 ZINC000009413536 569531740 /nfs/dbraw/zinc/53/17/40/569531740.db2.gz CWKUXPYJEWKKMQ-SANMLTNESA-N 0 0 430.327 3.958 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@](=O)C3)cc1 ZINC000009413652 569531821 /nfs/dbraw/zinc/53/18/21/569531821.db2.gz FTRLLVOHSUVJGG-SSEXGKCCSA-N 0 0 435.427 3.914 50 0 IHAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c(OC)c1 ZINC000009413834 569531866 /nfs/dbraw/zinc/53/18/66/569531866.db2.gz COOMBXLYTGAFBR-GDLZYMKVSA-N 0 0 431.901 3.558 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c(OC)c1 ZINC000009414950 569532083 /nfs/dbraw/zinc/53/20/83/569532083.db2.gz DBAFZLXZTLNPCG-UHFFFAOYSA-N 0 0 439.472 3.678 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccccc4Cl)nn32)cc1 ZINC000009415208 569532177 /nfs/dbraw/zinc/53/21/77/569532177.db2.gz VJGSCSVBMJBTJC-UHFFFAOYSA-N 0 0 439.928 3.862 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4C)nn32)cc1OC ZINC000009415350 569532197 /nfs/dbraw/zinc/53/21/97/569532197.db2.gz HEKSXLMZUJPVCY-UHFFFAOYSA-N 0 0 435.509 3.848 50 0 IHAARN COc1ccc(CN2C(=O)N[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C2=O)cc1 ZINC000009420590 569532671 /nfs/dbraw/zinc/53/26/71/569532671.db2.gz BORVPKAGAOXGRF-FQEVSTJZSA-N 0 0 441.450 3.687 50 0 IHAARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009420688 569532702 /nfs/dbraw/zinc/53/27/02/569532702.db2.gz SLESNEFQIGPFIR-UHFFFAOYSA-N 0 0 428.496 3.997 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000009429734 569533789 /nfs/dbraw/zinc/53/37/89/569533789.db2.gz ZZDWAVZMRFWYCW-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3C)n2)cc1OC ZINC000009430383 569533930 /nfs/dbraw/zinc/53/39/30/569533930.db2.gz FTVXBIPBLPLKET-UHFFFAOYSA-N 0 0 431.876 3.753 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N(C)c3cccc(C)c3)cc2NC1=O ZINC000009430243 569533954 /nfs/dbraw/zinc/53/39/54/569533954.db2.gz IQEWDJZXZPOUQW-GOSISDBHSA-N 0 0 432.567 3.645 50 0 IHAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)coc2c1 ZINC000009430918 569534057 /nfs/dbraw/zinc/53/40/57/569534057.db2.gz ZGJQBUAMCKSIKS-IAGOWNOFSA-N 0 0 442.537 3.720 50 0 IHAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C ZINC000009430977 569534063 /nfs/dbraw/zinc/53/40/63/569534063.db2.gz OGLBNNQYUPLBEW-SFHVURJKSA-N 0 0 441.962 3.854 50 0 IHAARN COc1ccc(Cc2nc3c4cnn(-c5nc6ccccc6s5)c4ncn3n2)cc1OC ZINC000009431273 569534107 /nfs/dbraw/zinc/53/41/07/569534107.db2.gz SYZXLVXWVLLWMN-UHFFFAOYSA-N 0 0 443.492 3.681 50 0 IHAARN CCOC(=O)C1CCN(C(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)CC1 ZINC000009439588 569535065 /nfs/dbraw/zinc/53/50/65/569535065.db2.gz QRQMJDMZTTUONJ-UHFFFAOYSA-N 0 0 449.503 3.949 50 0 IHAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000009441505 569535355 /nfs/dbraw/zinc/53/53/55/569535355.db2.gz QAAIMUUFQQVZPD-UHFFFAOYSA-N 0 0 438.534 3.925 50 0 IHAARN COC(=O)CCSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC ZINC000009444058 569535774 /nfs/dbraw/zinc/53/57/74/569535774.db2.gz KAKWRIXTFMGIQL-MRXNPFEDSA-N 0 0 448.566 3.739 50 0 IHAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009446367 569535903 /nfs/dbraw/zinc/53/59/03/569535903.db2.gz MKFZIQNFSNSWDZ-UHFFFAOYSA-N 0 0 448.957 3.895 50 0 IHAARN O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009447866 569536072 /nfs/dbraw/zinc/53/60/72/569536072.db2.gz AXIMKBOTJGIYAO-UHFFFAOYSA-N 0 0 445.610 3.550 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 ZINC000009449524 569536209 /nfs/dbraw/zinc/53/62/09/569536209.db2.gz OCUFAWVLMNSZOB-WTGUMLROSA-N 0 0 442.437 3.849 50 0 IHAARN C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@@H](O)c1ccccc1 ZINC000009449831 569536239 /nfs/dbraw/zinc/53/62/39/569536239.db2.gz BABOHPLXPKWQIW-VBKZILBWSA-N 0 0 441.911 3.942 50 0 IHAARN Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009449997 569536288 /nfs/dbraw/zinc/53/62/88/569536288.db2.gz ASBVATCSOOSXIZ-UHFFFAOYSA-N 0 0 440.927 3.784 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000009453651 569536568 /nfs/dbraw/zinc/53/65/68/569536568.db2.gz WAKKXROSUXBBPS-QGZVFWFLSA-N 0 0 442.364 3.897 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000009453451 569536590 /nfs/dbraw/zinc/53/65/90/569536590.db2.gz SXCXMPQQLZTWED-FQEVSTJZSA-N 0 0 430.391 3.864 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000009462371 569537190 /nfs/dbraw/zinc/53/71/90/569537190.db2.gz LGOVBKVFVDISCL-UHFFFAOYSA-N 0 0 425.916 3.958 50 0 IHAARN O=C(OCCOc1cccc(Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009464215 569537599 /nfs/dbraw/zinc/53/75/99/569537599.db2.gz ULDJGAIMYWWDFA-UHFFFAOYSA-N 0 0 442.876 3.953 50 0 IHAARN COc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F ZINC000009465274 569537915 /nfs/dbraw/zinc/53/79/15/569537915.db2.gz KQUFPIWFXRSXIA-HXUWFJFHSA-N 0 0 438.814 3.600 50 0 IHAARN COc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F ZINC000009465272 569537922 /nfs/dbraw/zinc/53/79/22/569537922.db2.gz KQUFPIWFXRSXIA-FQEVSTJZSA-N 0 0 438.814 3.600 50 0 IHAARN COc1ccc(-c2nc(CSc3nnnn3-c3ccc(O)cc3)cs2)cc1OC ZINC000009465915 569538073 /nfs/dbraw/zinc/53/80/73/569538073.db2.gz OFLNPWUFUQGDGR-UHFFFAOYSA-N 0 0 427.511 3.801 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000009466723 569538270 /nfs/dbraw/zinc/53/82/70/569538270.db2.gz YHQIOPAWGCLWNN-UHFFFAOYSA-N 0 0 426.567 3.869 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c1C ZINC000009467491 569538463 /nfs/dbraw/zinc/53/84/63/569538463.db2.gz SEXWFHBWFNRWEC-UHFFFAOYSA-N 0 0 434.492 4.000 50 0 IHAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000009468132 569538551 /nfs/dbraw/zinc/53/85/51/569538551.db2.gz SBAMGXZVTMZXHJ-UHFFFAOYSA-N 0 0 432.885 3.533 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2oc(S[C@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 ZINC000009477943 569539264 /nfs/dbraw/zinc/53/92/64/569539264.db2.gz SAYDFXBOSSEWMW-IBGZPJMESA-N 0 0 445.566 3.534 50 0 IHAARN O=C(C=Cc1ccc(Br)cc1)NC(=S)NN1CCCC[C@H]1c1cccnc1 ZINC000009478035 569539287 /nfs/dbraw/zinc/53/92/87/569539287.db2.gz JKECHXGOXFKXMC-MZEUMTGBSA-N 0 0 445.386 3.990 50 0 IHAARN COc1ccc2c(C)c(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(=O)oc2c1 ZINC000009481615 569539478 /nfs/dbraw/zinc/53/94/78/569539478.db2.gz JWQZGCDKPFYGSS-UHFFFAOYSA-N 0 0 441.911 3.816 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O ZINC000009486946 569539643 /nfs/dbraw/zinc/53/96/43/569539643.db2.gz UHMGNNFYTNBSQY-FQEVSTJZSA-N 0 0 436.295 3.716 50 0 IHAARN O=C(NCCc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000009488247 569539919 /nfs/dbraw/zinc/53/99/19/569539919.db2.gz LIKFZLJRDYIHFE-QHCPKHFHSA-N 0 0 443.478 3.692 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2C)cc1 ZINC000009490038 569540095 /nfs/dbraw/zinc/54/00/95/569540095.db2.gz NHGBRYOZZUYOBV-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000009494083 569540847 /nfs/dbraw/zinc/54/08/47/569540847.db2.gz XSQMVSFXPWXIAL-FQEVSTJZSA-N 0 0 431.286 3.925 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000009495102 569541021 /nfs/dbraw/zinc/54/10/21/569541021.db2.gz ALYJEJIQOJPLJE-UHFFFAOYSA-N 0 0 440.521 3.777 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009498149 569541320 /nfs/dbraw/zinc/54/13/20/569541320.db2.gz NIZJMJKFIDMXOU-UHFFFAOYSA-N 0 0 443.594 3.672 50 0 IHAARN COc1cccc(-n2c(S[C@H](C)C(N)=O)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000009501021 569541586 /nfs/dbraw/zinc/54/15/86/569541586.db2.gz KEBKCVRHFTWNHV-GFCCVEGCSA-N 0 0 429.567 3.691 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(Cl)cc1 ZINC000009508232 569542259 /nfs/dbraw/zinc/54/22/59/569542259.db2.gz AZCPSNSFEYVDKW-UHFFFAOYSA-N 0 0 442.928 3.837 50 0 IHAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009509471 569542563 /nfs/dbraw/zinc/54/25/63/569542563.db2.gz ONSMBNYUESUHEU-UHFFFAOYSA-N 0 0 440.496 3.765 50 0 IHAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009512162 569542917 /nfs/dbraw/zinc/54/29/17/569542917.db2.gz KAAMDPIFKRLWED-INIZCTEOSA-N 0 0 431.949 3.602 50 0 IHAARN COc1cccc(NC(=O)[C@H](Sc2nnnn2-c2ccc(O)cc2)c2ccccc2)c1 ZINC000009512403 569542960 /nfs/dbraw/zinc/54/29/60/569542960.db2.gz UXIGWMKYHUCTFH-HXUWFJFHSA-N 0 0 433.493 3.849 50 0 IHAARN COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000009513775 569543162 /nfs/dbraw/zinc/54/31/62/569543162.db2.gz FOWGJENEELHTIX-UHFFFAOYSA-N 0 0 449.536 3.750 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000009517650 569543719 /nfs/dbraw/zinc/54/37/19/569543719.db2.gz OAZBQZKJLAHIMX-UHFFFAOYSA-N 0 0 436.472 3.644 50 0 IHAARN O=C(CSc1nnnn1C1CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000009530631 569545048 /nfs/dbraw/zinc/54/50/48/569545048.db2.gz COPWGZPSIIDZRG-UHFFFAOYSA-N 0 0 426.571 3.669 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009530663 569545050 /nfs/dbraw/zinc/54/50/50/569545050.db2.gz KTEOYNUPVXGTND-UHFFFAOYSA-N 0 0 429.524 3.635 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c23)s1 ZINC000009537275 569545633 /nfs/dbraw/zinc/54/56/33/569545633.db2.gz RZYZYMNPEDCUAC-UHFFFAOYSA-N 0 0 425.491 3.862 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@H]2CS[C@@]3(c4cccs4)CCC(=O)N23)cc1Cl ZINC000009544899 569546044 /nfs/dbraw/zinc/54/60/44/569546044.db2.gz JISGBUZOVZWBOK-BFUOFWGJSA-N 0 0 438.958 3.948 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560433 569547070 /nfs/dbraw/zinc/54/70/70/569547070.db2.gz NQOWJGVTDHKKCG-BJKOFHAPSA-N 0 0 434.536 3.943 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1OC ZINC000009568940 569547481 /nfs/dbraw/zinc/54/74/81/569547481.db2.gz ONXCRERWKZIQLI-UHFFFAOYSA-N 0 0 440.500 3.516 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cc(C)ccc4C)n3n2)c1 ZINC000009569093 569547545 /nfs/dbraw/zinc/54/75/45/569547545.db2.gz KXJUQWLIJJHUKT-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 ZINC000009569040 569547553 /nfs/dbraw/zinc/54/75/53/569547553.db2.gz QCTKWPCWIMUXOK-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 ZINC000009576575 569548119 /nfs/dbraw/zinc/54/81/19/569548119.db2.gz FEEYXZYAOBWNER-IBGZPJMESA-N 0 0 432.524 3.936 50 0 IHAARN COc1ccccc1CCNC(=O)c1cn(C2CC2)c2c(cc(F)c(F)c2OC)c1=O ZINC000009577513 569548215 /nfs/dbraw/zinc/54/82/15/569548215.db2.gz KOMUPGOLLOFNHQ-UHFFFAOYSA-N 0 0 428.435 3.604 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O ZINC000009579726 569548575 /nfs/dbraw/zinc/54/85/75/569548575.db2.gz WCIGQJOUYMYJNV-GYCJOSAFSA-N 0 0 439.487 3.735 50 0 IHAARN O=C(CSc1nc2ccccc2s1)NCCn1cnc(-c2ccc(F)cc2)cc1=O ZINC000070637542 569548959 /nfs/dbraw/zinc/54/89/59/569548959.db2.gz XLDWANCPFZWHLV-UHFFFAOYSA-N 0 0 440.525 3.568 50 0 IHAARN CCOc1ccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)cc1S(=O)(=O)N1CCCC1 ZINC000009586973 569549721 /nfs/dbraw/zinc/54/97/21/569549721.db2.gz LHWZYBSRUXLGLQ-UHFFFAOYSA-N 0 0 448.541 3.545 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000009590788 569550014 /nfs/dbraw/zinc/55/00/14/569550014.db2.gz QWIHLGHVULYQQW-CYBMUJFWSA-N 0 0 446.481 3.710 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009592910 569550323 /nfs/dbraw/zinc/55/03/23/569550323.db2.gz COZNDGNVFOZHRH-UHFFFAOYSA-N 0 0 426.542 3.873 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCSc2ccccc2)C1=O ZINC000009593724 569550444 /nfs/dbraw/zinc/55/04/44/569550444.db2.gz DNLAVHGLLDIRQN-RUZDIDTESA-N 0 0 447.560 3.905 50 0 IHAARN CC(C)Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O ZINC000009594063 569550537 /nfs/dbraw/zinc/55/05/37/569550537.db2.gz XPGJWSSQDXZSSW-CYBMUJFWSA-N 0 0 438.553 3.590 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597739 569550925 /nfs/dbraw/zinc/55/09/25/569550925.db2.gz WQQCMAUFTQAKKU-IBGZPJMESA-N 0 0 434.970 3.780 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(Br)cc1 ZINC000009599838 569551338 /nfs/dbraw/zinc/55/13/38/569551338.db2.gz PRHHRJXHJBOLQY-UHFFFAOYSA-N 0 0 441.314 3.680 50 0 IHAARN Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 ZINC000009599872 569551352 /nfs/dbraw/zinc/55/13/52/569551352.db2.gz XOCLLCHESUXPEO-UHFFFAOYSA-N 0 0 442.522 3.601 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1OC ZINC000009599859 569551362 /nfs/dbraw/zinc/55/13/62/569551362.db2.gz UGIXYTSOEZFTLB-UHFFFAOYSA-N 0 0 436.559 3.805 50 0 IHAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000009600165 569551418 /nfs/dbraw/zinc/55/14/18/569551418.db2.gz MKTZKNSBVGUZQW-UHFFFAOYSA-N 0 0 442.522 3.569 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3c(c2=O)SCC3)c1 ZINC000009602954 569551766 /nfs/dbraw/zinc/55/17/66/569551766.db2.gz MERYBYKWWVYXPW-UHFFFAOYSA-N 0 0 439.562 3.929 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009605751 569551938 /nfs/dbraw/zinc/55/19/38/569551938.db2.gz XECRFQQAFQNDGA-UHFFFAOYSA-N 0 0 444.944 3.622 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C)c2C)no1 ZINC000009611596 569552812 /nfs/dbraw/zinc/55/28/12/569552812.db2.gz PAHTVIHCJCBPCP-UHFFFAOYSA-N 0 0 436.541 3.841 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1OC ZINC000009628123 569553587 /nfs/dbraw/zinc/55/35/87/569553587.db2.gz YYQAMEKMADEQDP-UHFFFAOYSA-N 0 0 425.510 3.580 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009631896 569553857 /nfs/dbraw/zinc/55/38/57/569553857.db2.gz SGFSXILMZWHOLW-HXUWFJFHSA-N 0 0 434.279 3.602 50 0 IHAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 ZINC000009632063 569553908 /nfs/dbraw/zinc/55/39/08/569553908.db2.gz HDBLYXFTJJBEON-OAHLLOKOSA-N 0 0 439.541 3.578 50 0 IHAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000009632217 569553950 /nfs/dbraw/zinc/55/39/50/569553950.db2.gz ITLHXZRYVSHROT-ZDUSSCGKSA-N 0 0 429.933 3.914 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 ZINC000009632420 569553961 /nfs/dbraw/zinc/55/39/61/569553961.db2.gz WKYPVIUHZXIYJH-UHFFFAOYSA-N 0 0 438.505 3.975 50 0 IHAARN CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 ZINC000009632495 569554046 /nfs/dbraw/zinc/55/40/46/569554046.db2.gz BAWZWHIGIBQWLT-UHFFFAOYSA-N 0 0 429.567 3.563 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000009633113 569554177 /nfs/dbraw/zinc/55/41/77/569554177.db2.gz DRFSJDGJTJWERQ-UHFFFAOYSA-N 0 0 438.549 3.983 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(C)c3ccc(C)c(C)c3)c2)on1 ZINC000009638023 569554909 /nfs/dbraw/zinc/55/49/09/569554909.db2.gz GZXRLAALTFPNHS-UHFFFAOYSA-N 0 0 444.509 3.969 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(C)c3cccc(C)c3)c2)on1 ZINC000009637887 569554910 /nfs/dbraw/zinc/55/49/10/569554910.db2.gz SCNKEDZLPDNTFF-UHFFFAOYSA-N 0 0 430.482 3.660 50 0 IHAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000009639276 569555123 /nfs/dbraw/zinc/55/51/23/569555123.db2.gz DGODJSLAIUGJON-HXUWFJFHSA-N 0 0 438.528 3.828 50 0 IHAARN CC(C)(C)c1ccc(-c2nnc(SCc3nc(N)nc(N)n3)n2-c2ccccc2)cc1 ZINC000009646342 569556257 /nfs/dbraw/zinc/55/62/57/569556257.db2.gz ZUEFGQLOAFYOJS-UHFFFAOYSA-N 0 0 432.557 3.874 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000009647193 569556372 /nfs/dbraw/zinc/55/63/72/569556372.db2.gz SPJINGJOHCGLAG-GOSISDBHSA-N 0 0 447.466 3.677 50 0 IHAARN O=C(CSc1nnnn1Cc1cccs1)N[C@H](c1cccs1)c1ccccc1 ZINC000009647578 569556443 /nfs/dbraw/zinc/55/64/43/569556443.db2.gz OZAOFTKWHQVJOR-SFHVURJKSA-N 0 0 427.580 3.842 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCc1ccc(Cl)cc1 ZINC000009659346 569556654 /nfs/dbraw/zinc/55/66/54/569556654.db2.gz XQPDCXPCLPAWIH-UHFFFAOYSA-N 0 0 443.912 3.679 50 0 IHAARN O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccc(Cl)cc1 ZINC000009660714 569556926 /nfs/dbraw/zinc/55/69/26/569556926.db2.gz ZMEDHBGNRHTHCR-UHFFFAOYSA-N 0 0 440.286 3.796 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3cn(C)cc4c(=O)n(-c5ccccc5)nc3-4)sc2c1 ZINC000009661371 569557031 /nfs/dbraw/zinc/55/70/31/569557031.db2.gz QNIILFCAQJQZBM-UHFFFAOYSA-N 0 0 445.504 3.937 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000009665449 569557578 /nfs/dbraw/zinc/55/75/78/569557578.db2.gz KJJZVQCEYYLOTJ-GOSISDBHSA-N 0 0 441.793 3.644 50 0 IHAARN C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NCC1CCCCC1 ZINC000009669362 569558035 /nfs/dbraw/zinc/55/80/35/569558035.db2.gz ARCNWADAMPKQHQ-LBPRGKRZSA-N 0 0 429.468 3.738 50 0 IHAARN O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009669492 569558054 /nfs/dbraw/zinc/55/80/54/569558054.db2.gz YARJVRZGSILFMK-UHFFFAOYSA-N 0 0 447.900 3.532 50 0 IHAARN CCOC(=O)c1[nH]c(COC(=O)CCCOc2ccc(OC)cc2)c(C(=O)OCC)c1C ZINC000009670255 569558303 /nfs/dbraw/zinc/55/83/03/569558303.db2.gz WQXADRZQVDVNCC-UHFFFAOYSA-N 0 0 447.484 3.588 50 0 IHAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009671959 569558677 /nfs/dbraw/zinc/55/86/77/569558677.db2.gz XFDJPKWJPJSRGN-UHFFFAOYSA-N 0 0 433.489 3.532 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000009672111 569558713 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O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010139210 569578137 /nfs/dbraw/zinc/57/81/37/569578137.db2.gz MSFTZZVKNBNITI-UHFFFAOYSA-N 0 0 447.491 3.880 50 0 IHAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(CCC(=O)Nc3ccc(C)cc3)n2C)n1 ZINC000010158317 569578168 /nfs/dbraw/zinc/57/81/68/569578168.db2.gz JLRVBKPTNRWFQQ-CQSZACIVSA-N 0 0 444.586 3.579 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc(=O)n(Cc2cccs2)c2c1CCC2 ZINC000010186701 569578404 /nfs/dbraw/zinc/57/84/04/569578404.db2.gz ZCUKAUAIMMPBQW-UHFFFAOYSA-N 0 0 427.551 3.581 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000010187276 569578601 /nfs/dbraw/zinc/57/86/01/569578601.db2.gz QNPSHRDTWRPTFY-UHFFFAOYSA-N 0 0 430.555 3.897 50 0 IHAARN O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000010272039 569580109 /nfs/dbraw/zinc/58/01/09/569580109.db2.gz FDSKUPDIUCJQSY-UHFFFAOYSA-N 0 0 430.860 3.978 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 ZINC000071768305 569580657 /nfs/dbraw/zinc/58/06/57/569580657.db2.gz ZRWWABDMZQJEKC-AWEZNQCLSA-N 0 0 430.468 3.694 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)cc1 ZINC000071768427 569580703 /nfs/dbraw/zinc/58/07/03/569580703.db2.gz BFEXUKKVZXUALX-UHFFFAOYSA-N 0 0 444.495 3.914 50 0 IHAARN Cc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)ccc1Br ZINC000071769072 569580831 /nfs/dbraw/zinc/58/08/31/569580831.db2.gz JOSYNUGXJFFVTF-UHFFFAOYSA-N 0 0 432.293 3.903 50 0 IHAARN O=C(Nc1nc2ccc(F)cc2s1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010337398 569581236 /nfs/dbraw/zinc/58/12/36/569581236.db2.gz MGMFSHIWLIEKNZ-UHFFFAOYSA-N 0 0 437.493 3.614 50 0 IHAARN CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337371 569581288 /nfs/dbraw/zinc/58/12/88/569581288.db2.gz PYAMUHRYVNAMHG-UHFFFAOYSA-N 0 0 445.610 3.617 50 0 IHAARN COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc21 ZINC000010337542 569581349 /nfs/dbraw/zinc/58/13/49/569581349.db2.gz KEIKEKFBTXZFKK-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCN(Cc2cccnc2)CC1 ZINC000071800160 569581557 /nfs/dbraw/zinc/58/15/57/569581557.db2.gz PPYCSECTUFYNAB-VWLOTQADSA-N 0 0 425.536 3.733 50 0 IHAARN CC1(C)Cc2nc(NC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)sc2C(=O)C1 ZINC000071800133 569581562 /nfs/dbraw/zinc/58/15/62/569581562.db2.gz NIGIFRPFMOLRKE-INIZCTEOSA-N 0 0 425.554 3.718 50 0 IHAARN CC(C)C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000010445684 569582252 /nfs/dbraw/zinc/58/22/52/569582252.db2.gz UQOXPSUISNGYHY-QFIPXVFZSA-N 0 0 447.535 3.575 50 0 IHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000010448051 569582279 /nfs/dbraw/zinc/58/22/79/569582279.db2.gz WMCNZJHSUOWLQJ-UHFFFAOYSA-N 0 0 429.546 3.602 50 0 IHAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000071844176 569582304 /nfs/dbraw/zinc/58/23/04/569582304.db2.gz NFGYQCLKRPEOMK-DNRQZRRGSA-N 0 0 437.515 3.778 50 0 IHAARN C[C@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc21 ZINC000010518757 569582674 /nfs/dbraw/zinc/58/26/74/569582674.db2.gz ZCORIIACEFTUGM-JKSUJKDBSA-N 0 0 425.558 3.902 50 0 IHAARN O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)s1 ZINC000077104218 569585585 /nfs/dbraw/zinc/58/55/85/569585585.db2.gz CLZQKOVSUIFGHW-UHFFFAOYSA-N 0 0 435.434 3.730 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077200209 569586398 /nfs/dbraw/zinc/58/63/98/569586398.db2.gz ADMDZWIYLYWXLJ-RTBURBONSA-N 0 0 430.526 3.527 50 0 IHAARN Cc1cc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)ccc1Cl ZINC000077200538 569586412 /nfs/dbraw/zinc/58/64/12/569586412.db2.gz VIGIRPDKCNYMSQ-UHFFFAOYSA-N 0 0 437.931 3.783 50 0 IHAARN COc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)NC1CCCC1 ZINC000078355188 569586612 /nfs/dbraw/zinc/58/66/12/569586612.db2.gz PKRQLJVNYWNFHD-DBVUQKKJSA-N 0 0 434.602 3.957 50 0 IHAARN COc1cc(Cc2noc(-c3sc4nc(C)cc(C)c4c3N)n2)c(OC)c2c1OCO2 ZINC000078549416 569586661 /nfs/dbraw/zinc/58/66/61/569586661.db2.gz VUBXUEQRHKWGIR-UHFFFAOYSA-N 0 0 440.481 3.882 50 0 IHAARN CCCN(Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)C[C@@H]1CCCO1 ZINC000055568829 569587196 /nfs/dbraw/zinc/58/71/96/569587196.db2.gz VWHBPMNLMXGVHD-QFIPXVFZSA-N 0 0 433.618 3.699 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C2CCN(c3nccc4c(C)nn(CC)c43)CC2)c1 ZINC000033299089 569587472 /nfs/dbraw/zinc/58/74/72/569587472.db2.gz CGDSBTHDKBLPDA-UHFFFAOYSA-N 0 0 435.528 3.791 50 0 IHAARN CC(C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC2CC2)C1=O ZINC000036024274 569587794 /nfs/dbraw/zinc/58/77/94/569587794.db2.gz ZMFYIWYERFYCBD-GOSISDBHSA-N 0 0 438.494 3.896 50 0 IHAARN COC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036257591 569587954 /nfs/dbraw/zinc/58/79/54/569587954.db2.gz NRBUXALTNOBMDT-LICLKQGHSA-N 0 0 427.478 3.871 50 0 IHAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000037428547 569588042 /nfs/dbraw/zinc/58/80/42/569588042.db2.gz YFZIABDMXPJMNN-FDHBPBSMSA-N 0 0 435.549 3.556 50 0 IHAARN CC=C1C(N2CCC(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020987620 122142352 /nfs/dbraw/zinc/14/23/52/122142352.db2.gz IOUGHFGWOBBJJC-UHFFFAOYSA-N 0 0 431.602 3.732 50 0 IHAARN CCOC(=O)c1oc2cc(OC(C)=O)ccc2c(=O)c1Oc1cnn(-c2ccccc2)c1 ZINC000000633004 193864484 /nfs/dbraw/zinc/86/44/84/193864484.db2.gz GBADJFKDRIYOFI-UHFFFAOYSA-N 0 0 434.404 3.873 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000000649924 193871812 /nfs/dbraw/zinc/87/18/12/193871812.db2.gz QVRIIXSYQZZOIB-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000655151 193874266 /nfs/dbraw/zinc/87/42/66/193874266.db2.gz KLDNFULUCDENPG-UHFFFAOYSA-N 0 0 438.549 3.690 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000000656023 193874808 /nfs/dbraw/zinc/87/48/08/193874808.db2.gz SAWWWZRIDQSMMO-UHFFFAOYSA-N 0 0 442.468 3.697 50 0 IHAARN COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O ZINC000000662953 193877094 /nfs/dbraw/zinc/87/70/94/193877094.db2.gz SFSMDZACYQONEQ-MRXNPFEDSA-N 0 0 441.322 3.723 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl ZINC000006166751 193887788 /nfs/dbraw/zinc/88/77/88/193887788.db2.gz PZJKIHQNSAEJNN-UHFFFAOYSA-N 0 0 426.885 3.821 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)n1 ZINC000009847243 193905374 /nfs/dbraw/zinc/90/53/74/193905374.db2.gz JWIYEORSFNDOIE-DEOSSOPVSA-N 0 0 445.527 3.596 50 0 IHAARN CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O ZINC000009836712 193902505 /nfs/dbraw/zinc/90/25/05/193902505.db2.gz IIINMDLNSXHSCF-CQSZACIVSA-N 0 0 430.555 3.598 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1 ZINC000009853024 193907955 /nfs/dbraw/zinc/90/79/55/193907955.db2.gz RZSOQCXXPJARRP-UHFFFAOYSA-N 0 0 433.917 3.553 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000009856827 193909112 /nfs/dbraw/zinc/90/91/12/193909112.db2.gz GTTQNPXOOMRJLJ-UHFFFAOYSA-N 0 0 436.464 3.612 50 0 IHAARN Cc1cccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1C ZINC000000667511 132229044 /nfs/dbraw/zinc/22/90/44/132229044.db2.gz QFPLTISKCCLDLD-UHFFFAOYSA-N 0 0 438.553 3.706 50 0 IHAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1N1CCCCC1 ZINC000009593348 132236508 /nfs/dbraw/zinc/23/65/08/132236508.db2.gz HNLXBKGENBJWBI-MRXNPFEDSA-N 0 0 440.613 3.785 50 0 IHAARN COC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccccc2)[C@H]1C(=O)OC ZINC000000983948 132236741 /nfs/dbraw/zinc/23/67/41/132236741.db2.gz GUZBGWNEPBSXDC-JOCHJYFZSA-N 0 0 428.444 3.540 50 0 IHAARN O=C(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCN(c2ccccc2)CC1 ZINC000009714796 132237193 /nfs/dbraw/zinc/23/71/93/132237193.db2.gz KGYSRIMPPOXXHN-UHFFFAOYSA-N 0 0 439.512 3.589 50 0 IHAARN O=c1c(Cl)c(N2CCN(CCCOc3ccc(F)cc3)CC2)cnn1-c1ccccc1 ZINC000009728661 132240273 /nfs/dbraw/zinc/24/02/73/132240273.db2.gz SIFABCMZVVWERB-UHFFFAOYSA-N 0 0 442.922 3.616 50 0 IHAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)o1 ZINC000010186645 132243292 /nfs/dbraw/zinc/24/32/92/132243292.db2.gz FHQXNTQSELBVCF-UHFFFAOYSA-N 0 0 429.274 3.588 50 0 IHAARN COc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000002225462 132249432 /nfs/dbraw/zinc/24/94/32/132249432.db2.gz GORAQVOSKHOQOS-UHFFFAOYSA-N 0 0 439.459 3.677 50 0 IHAARN Cc1ccc(-c2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c3ccccc32)cc1 ZINC000002226566 132249450 /nfs/dbraw/zinc/24/94/50/132249450.db2.gz NQTCOQQGCARZEY-UHFFFAOYSA-N 0 0 438.531 3.721 50 0 IHAARN CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c32)C[C@@](C)(CC)OC4)CC1 ZINC000002333417 132252290 /nfs/dbraw/zinc/25/22/90/132252290.db2.gz RRICBHIBAGMKOT-HXUWFJFHSA-N 0 0 436.603 3.933 50 0 IHAARN C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002663788 132256138 /nfs/dbraw/zinc/25/61/38/132256138.db2.gz NSHJCFQRFZXZQJ-AWEZNQCLSA-N 0 0 439.566 3.900 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000003297498 132263368 /nfs/dbraw/zinc/26/33/68/132263368.db2.gz MDCKJOMWCMTIQY-UHFFFAOYSA-N 0 0 429.549 3.807 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cc4c(c5ccccc5n(C)c4=O)n3C)CC2)c1C ZINC000006577635 132277738 /nfs/dbraw/zinc/27/77/38/132277738.db2.gz FAZQZTYABRGLSR-UHFFFAOYSA-N 0 0 428.536 3.609 50 0 aggregator IHAARN COc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)CC2)cc1 ZINC000008588545 132283236 /nfs/dbraw/zinc/28/32/36/132283236.db2.gz JJFAYMRJHIYWLJ-SFHVURJKSA-N 0 0 437.540 3.739 50 0 IHAARN O=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCN(c2ccccc2F)CC1 ZINC000008600406 132286365 /nfs/dbraw/zinc/28/63/65/132286365.db2.gz GXOSMVDGSFKHTK-UHFFFAOYSA-N 0 0 433.462 3.904 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1 ZINC000008608712 132287782 /nfs/dbraw/zinc/28/77/82/132287782.db2.gz WMBQKFZMFSMHHA-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCOCC5)sc4c3)CC2)c1C ZINC000008912763 132297565 /nfs/dbraw/zinc/29/75/65/132297565.db2.gz ODVJBCFDCCDVTK-UHFFFAOYSA-N 0 0 436.581 3.712 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)CC2)c1 ZINC000008912515 132297569 /nfs/dbraw/zinc/29/75/69/132297569.db2.gz CJNZPBNXFBSHEZ-UHFFFAOYSA-N 0 0 430.552 3.702 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008913771 132298042 /nfs/dbraw/zinc/29/80/42/132298042.db2.gz MKWSWJCEVIAREV-UHFFFAOYSA-N 0 0 436.943 3.739 50 0 IHAARN Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000008990490 132299698 /nfs/dbraw/zinc/29/96/98/132299698.db2.gz IHZZXHYFQVOWGJ-QGZVFWFLSA-N 0 0 432.499 3.869 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1Cl ZINC000009009866 132300712 /nfs/dbraw/zinc/30/07/12/132300712.db2.gz OMHDXMAVRRMQED-UHFFFAOYSA-N 0 0 427.915 3.621 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O ZINC000009124854 132305189 /nfs/dbraw/zinc/30/51/89/132305189.db2.gz NCEOUPQWDUWUEO-OAQYLSRUSA-N 0 0 432.307 3.740 50 0 IHAARN Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009168359 132307464 /nfs/dbraw/zinc/30/74/64/132307464.db2.gz IBGGWFNVOCKVMX-UHFFFAOYSA-N 0 0 435.553 3.857 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000009220850 132309483 /nfs/dbraw/zinc/30/94/83/132309483.db2.gz SVJCQYMGVQRKGJ-UHFFFAOYSA-N 0 0 449.551 3.908 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCOc4ccc(Cl)cc43)C[C@H]2C)c1 ZINC000009251922 132311070 /nfs/dbraw/zinc/31/10/70/132311070.db2.gz OGJFGQHRTRRBOW-GOSISDBHSA-N 0 0 441.959 3.891 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000009254332 132311128 /nfs/dbraw/zinc/31/11/28/132311128.db2.gz RYBNBHFZBHMLIX-MBSDFSHPSA-N 0 0 448.567 3.907 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)cc1 ZINC000009282201 132312208 /nfs/dbraw/zinc/31/22/08/132312208.db2.gz OCNGAPKBWVYMHV-UHFFFAOYSA-N 0 0 443.551 3.634 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1Br)C[C@H](C)O2 ZINC000009287049 132312605 /nfs/dbraw/zinc/31/26/05/132312605.db2.gz SLTRRYLGKKDGMV-HNNXBMFYSA-N 0 0 431.330 3.968 50 0 IHAARN CCOc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccccc43)CC2)cc1 ZINC000009405897 132315197 /nfs/dbraw/zinc/31/51/97/132315197.db2.gz JNYCZGKPGSEBNB-GOSISDBHSA-N 0 0 437.540 3.821 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3ccc(Cl)cc3)CC1)CCO2 ZINC000009405906 132315198 /nfs/dbraw/zinc/31/51/98/132315198.db2.gz PMPLIUKSDMKBKD-UHFFFAOYSA-N 0 0 427.932 3.996 50 0 IHAARN COc1ccccc1/C=C(/C(=O)OCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000009463569 132318222 /nfs/dbraw/zinc/31/82/22/132318222.db2.gz BJCQYOYMNBWFFY-HMMYKYKNSA-N 0 0 442.471 3.764 50 0 IHAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009512025 132320068 /nfs/dbraw/zinc/32/00/68/132320068.db2.gz RWDUGFWIRDVDTN-VBGPOXQHSA-N 0 0 446.450 3.708 50 0 IHAARN Cc1nnc2c(N3CCN(c4ccccn4)CC3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000009561357 132321514 /nfs/dbraw/zinc/32/15/14/132321514.db2.gz KESISZBJXYKDNM-UHFFFAOYSA-N 0 0 449.518 3.539 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000009646410 132324761 /nfs/dbraw/zinc/32/47/61/132324761.db2.gz FXMONIVXKKAXLM-UHFFFAOYSA-N 0 0 444.578 3.816 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000009646414 132324777 /nfs/dbraw/zinc/32/47/77/132324777.db2.gz YXXRGJNWGVDHKF-UHFFFAOYSA-N 0 0 444.578 3.816 50 0 IHAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)N1CCN(c2ccccc2)CC1 ZINC000009670519 132325066 /nfs/dbraw/zinc/32/50/66/132325066.db2.gz HDTIMGDFQBSNGW-UHFFFAOYSA-N 0 0 428.703 3.547 50 0 IHAARN C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009703431 132326577 /nfs/dbraw/zinc/32/65/77/132326577.db2.gz WKLULOOCBLGPBU-DYLGSBMWSA-N 0 0 438.402 3.719 50 0 IHAARN COc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708867 132326865 /nfs/dbraw/zinc/32/68/65/132326865.db2.gz DRLMPIRDSWEHLY-UHFFFAOYSA-N 0 0 430.871 3.997 50 0 IHAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccc(O)cc2)CC1 ZINC000009791813 132329177 /nfs/dbraw/zinc/32/91/77/132329177.db2.gz NQAOALOMHXUGIM-UHFFFAOYSA-N 0 0 448.592 3.898 50 0 IHAARN CC(=O)Nc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000009797561 132329293 /nfs/dbraw/zinc/32/92/93/132329293.db2.gz YMKWHPSSEUJYLJ-UHFFFAOYSA-N 0 0 437.418 3.518 50 0 IHAARN CCCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000009907865 132331468 /nfs/dbraw/zinc/33/14/68/132331468.db2.gz ORWGEYJWVNLWCY-UHFFFAOYSA-N 0 0 437.540 3.954 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCO2)c(Br)c1)N1CCN(c2ccccc2)CC1 ZINC000010011961 132333985 /nfs/dbraw/zinc/33/39/85/132333985.db2.gz SGZAJIWAYBBKKA-IBGZPJMESA-N 0 0 445.357 3.969 50 0 IHAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1C ZINC000010104911 132334736 /nfs/dbraw/zinc/33/47/36/132334736.db2.gz PHOSWANWSCHHOS-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(F)cc2)C1=O ZINC000010273503 132335351 /nfs/dbraw/zinc/33/53/51/132335351.db2.gz MUZDVSYHITZBDP-KRWDZBQOSA-N 0 0 445.516 3.752 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000010273866 132335491 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O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 ZINC000013148410 132345958 /nfs/dbraw/zinc/34/59/58/132345958.db2.gz ZVLNKKHLHNGBHC-UHFFFAOYSA-N 0 0 440.927 3.715 50 0 IHAARN CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2nc3ccccc3nc21 ZINC000014180621 132356417 /nfs/dbraw/zinc/35/64/17/132356417.db2.gz WKUQINOKQZVETC-UHFFFAOYSA-N 0 0 447.502 3.974 50 0 IHAARN CC(=O)c1ccc(N2CCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)c(F)c1 ZINC000012514958 518350462 /nfs/dbraw/zinc/35/04/62/518350462.db2.gz AZEGTUNYSVGDSV-UHFFFAOYSA-N 0 0 429.496 3.664 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000012609687 518350776 /nfs/dbraw/zinc/35/07/76/518350776.db2.gz WLNARMRHNHMXKI-HNNXBMFYSA-N 0 0 435.446 3.937 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3nnc(-n4nc(C)cc4C)c4ccccc43)CC2)cc1 ZINC000021356710 518353951 /nfs/dbraw/zinc/35/39/51/518353951.db2.gz YQMGVTWIWOKLFJ-UHFFFAOYSA-N 0 0 426.524 3.962 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000012804990 518400731 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ZINC000021871799 519633545 /nfs/dbraw/zinc/63/35/45/519633545.db2.gz LKJGTHGRLFZQIH-AWEZNQCLSA-N 0 0 434.945 3.748 50 0 IHAARN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000048374132 519634450 /nfs/dbraw/zinc/63/44/50/519634450.db2.gz MAWJCGZYDDLZEE-LAUBAEHRSA-N 0 0 427.957 3.991 50 0 IHAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1CCCOC(C)C ZINC000021527929 519661576 /nfs/dbraw/zinc/66/15/76/519661576.db2.gz TWCLDEZSUQVSHH-DEOSSOPVSA-N 0 0 429.561 3.940 50 0 IHAARN CC(C)N1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036024748 519667812 /nfs/dbraw/zinc/66/78/12/519667812.db2.gz RAPYWMCIEXAXDX-NRFANRHFSA-N 0 0 425.960 3.724 50 0 IHAARN CC(C)CC[C@]1(C2CCN(C(=O)C3=CCCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O ZINC000015001386 519695745 /nfs/dbraw/zinc/69/57/45/519695745.db2.gz AZLBOLWSGWVOLQ-RUZDIDTESA-N 0 0 438.572 3.657 50 0 IHAARN CC(=O)Nc1c2ccccc2n2c1C(=O)N(CCC(C)C)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866860 519702668 /nfs/dbraw/zinc/70/26/68/519702668.db2.gz 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CC(=O)Oc1ccc(C=C(NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000012380112 519758657 /nfs/dbraw/zinc/75/86/57/519758657.db2.gz CCCGXLFGAPHUAK-KGENOOAVSA-N 0 0 432.432 3.817 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000024326787 519820011 /nfs/dbraw/zinc/82/00/11/519820011.db2.gz NQPXKNVVVCLGTJ-FQEVSTJZSA-N 0 0 439.947 3.543 50 0 IHAARN CC(C)c1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 ZINC000012735903 519835649 /nfs/dbraw/zinc/83/56/49/519835649.db2.gz LFBRPOBOGHGXCV-VWLOTQADSA-N 0 0 437.515 3.907 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)[C@H](C(=O)N(C)C)C2 ZINC000065167097 519878691 /nfs/dbraw/zinc/87/86/91/519878691.db2.gz SSPOJPVQJPLIBP-FQEVSTJZSA-N 0 0 427.932 3.734 50 0 IHAARN CCCC(=O)OCC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC ZINC000012541268 519880899 /nfs/dbraw/zinc/88/08/99/519880899.db2.gz XMZWFIXCSLZJOY-UHFFFAOYSA-N 0 0 432.498 3.767 50 0 IHAARN CCCNC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000035371995 519882288 /nfs/dbraw/zinc/88/22/88/519882288.db2.gz PDZOCPQMNAFLNT-UHFFFAOYSA-N 0 0 426.879 3.718 50 0 IHAARN CCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000036054352 519890644 /nfs/dbraw/zinc/89/06/44/519890644.db2.gz ISMRBGBYWFUZOP-RBUKOAKNSA-N 0 0 430.932 3.739 50 0 IHAARN CCCNC(=O)[C@H](C)NC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000012879242 519892096 /nfs/dbraw/zinc/89/20/96/519892096.db2.gz MEQXBOMWYKHYLG-HBWSCVEGSA-N 0 0 437.371 3.899 50 0 IHAARN CCN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)c1cccc(C)c1 ZINC000021537219 519920597 /nfs/dbraw/zinc/92/05/97/519920597.db2.gz NLRNQXBGGYFGEY-UHFFFAOYSA-N 0 0 437.500 3.677 50 0 IHAARN CC(C)n1c(CN(C(=O)c2ccco2)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036042674 519920665 /nfs/dbraw/zinc/92/06/65/519920665.db2.gz LSRIWVNJYSCONH-UHFFFAOYSA-N 0 0 445.516 3.975 50 0 IHAARN CCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1cccc(Cl)c1 ZINC000020574337 519939841 /nfs/dbraw/zinc/93/98/41/519939841.db2.gz WSAIZWAWZNZUQJ-UHFFFAOYSA-N 0 0 426.835 3.897 50 0 IHAARN CC(C)n1cc(C(=O)N[C@@H](c2ccco2)C(F)(F)F)c(=O)c(C(=O)NC(C)(C)C)c1 ZINC000012572505 519944718 /nfs/dbraw/zinc/94/47/18/519944718.db2.gz SVCZSLLJPPSXHL-INIZCTEOSA-N 0 0 427.423 3.584 50 0 IHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000021459704 520245497 /nfs/dbraw/zinc/24/54/97/520245497.db2.gz JULQYBMRVLJFIO-FMIVXFBMSA-N 0 0 430.407 3.608 50 0 IHAARN CCCCC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000012902762 520287167 /nfs/dbraw/zinc/28/71/67/520287167.db2.gz WVSHDPASHXJIKF-APWZRJJASA-N 0 0 444.601 3.808 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000012526761 520319198 /nfs/dbraw/zinc/31/91/98/520319198.db2.gz BJISSRCXWRWXMD-UHFFFAOYSA-N 0 0 428.558 3.811 50 0 IHAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000016962205 520319564 /nfs/dbraw/zinc/31/95/64/520319564.db2.gz GXVRCLLQRAEJCW-UHFFFAOYSA-N 0 0 428.529 3.660 50 0 IHAARN CCCCCn1c2nnc(CCC(=O)NCc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000035528632 520332618 /nfs/dbraw/zinc/33/26/18/520332618.db2.gz RYYAYTMIDRQACC-UHFFFAOYSA-N 0 0 437.569 3.853 50 0 IHAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000012138181 520335654 /nfs/dbraw/zinc/33/56/54/520335654.db2.gz XVXQHHAACUBYLE-GOSISDBHSA-N 0 0 441.553 3.511 50 0 IHAARN CCCOc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC ZINC000012693229 520336975 /nfs/dbraw/zinc/33/69/75/520336975.db2.gz BIOOELFXOUZFIW-UHFFFAOYSA-N 0 0 447.285 3.611 50 0 IHAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000012690706 520366234 /nfs/dbraw/zinc/36/62/34/520366234.db2.gz RAKGNRUTBAQTIL-UHFFFAOYSA-N 0 0 427.501 3.988 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012797170 520368003 /nfs/dbraw/zinc/36/80/03/520368003.db2.gz JMCQUAWJSMUOQT-SFHVURJKSA-N 0 0 447.944 3.639 50 0 IHAARN CCCCN(C)C(=O)CSc1nccnc1N1CCN(c2cccc(C)c2C)CC1 ZINC000021657093 520378329 /nfs/dbraw/zinc/37/83/29/520378329.db2.gz PXJWEPQWOSPTLF-UHFFFAOYSA-N 0 0 427.618 3.771 50 0 IHAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000012877468 520422617 /nfs/dbraw/zinc/42/26/17/520422617.db2.gz RBQMCSDWDAZNGM-QYBDOPJKSA-N 0 0 447.535 3.627 50 0 biogenic IHAARN CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000012778625 520430132 /nfs/dbraw/zinc/43/01/32/520430132.db2.gz OMOPAHLFBPMTOM-UHFFFAOYSA-N 0 0 437.993 3.531 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000017270196 520430900 /nfs/dbraw/zinc/43/09/00/520430900.db2.gz ULGOGLUAPDBJAR-UHFFFAOYSA-N 0 0 449.598 3.971 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000012314459 520461831 /nfs/dbraw/zinc/46/18/31/520461831.db2.gz IKUXBPCBBNNFIO-IBGZPJMESA-N 0 0 425.525 3.877 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350746 520475017 /nfs/dbraw/zinc/47/50/17/520475017.db2.gz TUFDTNIYNAIZPZ-HSZRJFAPSA-N 0 0 445.523 3.780 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2C)c2ncnn2[C@H]1c1ccc(F)cc1 ZINC000021351284 520475549 /nfs/dbraw/zinc/47/55/49/520475549.db2.gz RFCRUCKNQYOOBZ-QFIPXVFZSA-N 0 0 449.486 3.611 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000032947318 520494449 /nfs/dbraw/zinc/49/44/49/520494449.db2.gz GYALKZXNYUAOHP-AWEZNQCLSA-N 0 0 438.644 3.777 50 0 IHAARN CCN(CC)C(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(OC)cc1 ZINC000033050650 520500673 /nfs/dbraw/zinc/50/06/73/520500673.db2.gz SGYKDCFPFPXBBM-UHFFFAOYSA-N 0 0 426.542 3.644 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCC3)NC(=O)N[C@@H]1c1cccs1 ZINC000009666634 520522663 /nfs/dbraw/zinc/52/26/63/520522663.db2.gz RKNUUDTUIIWKLF-GOSISDBHSA-N 0 0 446.550 3.717 50 0 IHAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012934925 520524973 /nfs/dbraw/zinc/52/49/73/520524973.db2.gz WHWQVFDSPNBWKN-XMMPIXPASA-N 0 0 436.552 3.962 50 0 IHAARN CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c[nH]2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012793870 520526504 /nfs/dbraw/zinc/52/65/04/520526504.db2.gz RWRDHDDMYIUFFQ-LJQANCHMSA-N 0 0 438.509 3.942 50 0 IHAARN CCOC(=O)C1=C(CSc2nc(-c3cccs3)nc3ccccc32)NC(=O)N[C@@H]1C ZINC000012773880 520526554 /nfs/dbraw/zinc/52/65/54/520526554.db2.gz NHHIGVBJNNJZFL-GFCCVEGCSA-N 0 0 440.550 3.969 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)CO2 ZINC000035376989 520557554 /nfs/dbraw/zinc/55/75/54/520557554.db2.gz RZIXMSRGOKAMPC-UHFFFAOYSA-N 0 0 449.429 3.552 50 0 IHAARN CC1(C)Cc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)sc2C(=O)C1 ZINC000012864575 520586121 /nfs/dbraw/zinc/58/61/21/520586121.db2.gz RYRNJMPDDPSIRH-UHFFFAOYSA-N 0 0 429.517 3.928 50 0 IHAARN CCN(CC)CCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000012342201 520639975 /nfs/dbraw/zinc/63/99/75/520639975.db2.gz JPXDEDADTCEMPG-UHFFFAOYSA-N 0 0 449.573 3.584 50 0 IHAARN CCOc1cc(Br)c(COC(=O)C(=O)c2c(C)nn(C)c2C)cc1OCC ZINC000012741662 520649278 /nfs/dbraw/zinc/64/92/78/520649278.db2.gz DHNAGRUTCXMQLG-UHFFFAOYSA-N 0 0 439.306 3.523 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036054560 520665100 /nfs/dbraw/zinc/66/51/00/520665100.db2.gz XULYVVNYHDSFJE-WOJBJXKFSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000036045615 520677700 /nfs/dbraw/zinc/67/77/00/520677700.db2.gz QBISNWJPIOLBLC-SFTDATJTSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045613 520678588 /nfs/dbraw/zinc/67/85/88/520678588.db2.gz QBISNWJPIOLBLC-RTWAWAEBSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)c3ccccc3OC)nc2c1 ZINC000012487890 520693721 /nfs/dbraw/zinc/69/37/21/520693721.db2.gz ZGRNSWZOQZJYQA-UHFFFAOYSA-N 0 0 433.555 3.625 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000012607134 520751431 /nfs/dbraw/zinc/75/14/31/520751431.db2.gz ARRTZMJVAPAKRJ-HXUWFJFHSA-N 0 0 440.496 3.561 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3ncnn32)ccc1OCc1ccccc1F ZINC000000724947 520780567 /nfs/dbraw/zinc/78/05/67/520780567.db2.gz BWLHGMWRQVRFDU-NRFANRHFSA-N 0 0 438.459 3.857 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000012786051 520790571 /nfs/dbraw/zinc/79/05/71/520790571.db2.gz MVOKRLGIEMTYCL-UHFFFAOYSA-N 0 0 447.601 3.764 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021524302 520805172 /nfs/dbraw/zinc/80/51/72/520805172.db2.gz OLDSAUIOINIUAC-MRXNPFEDSA-N 0 0 446.550 3.631 50 0 IHAARN CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC ZINC000016753627 520896896 /nfs/dbraw/zinc/89/68/96/520896896.db2.gz YTDZFCHLRKUCTB-JOCHJYFZSA-N 0 0 437.492 3.826 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000022130656 520908498 /nfs/dbraw/zinc/90/84/98/520908498.db2.gz MPLLYKWLSSJQEA-UHFFFAOYSA-N 0 0 442.463 3.518 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)n1 ZINC000012734778 520910475 /nfs/dbraw/zinc/91/04/75/520910475.db2.gz NCKOGZLDFWISLP-GJZGRUSLSA-N 0 0 429.542 3.754 50 0 IHAARN CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1Br ZINC000012404163 520918654 /nfs/dbraw/zinc/91/86/54/520918654.db2.gz YTPNXIQPPQQKFF-UHFFFAOYSA-N 0 0 433.302 3.573 50 0 IHAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(CC)c4)cc3C2=O)CC1 ZINC000020213396 520922744 /nfs/dbraw/zinc/92/27/44/520922744.db2.gz YBZGEFBJZAFBMP-UHFFFAOYSA-N 0 0 449.507 3.718 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CCCCCNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646116 520943444 /nfs/dbraw/zinc/94/34/44/520943444.db2.gz DUAMYYBFJZSZLK-UHFFFAOYSA-N 0 0 431.562 3.565 50 0 IHAARN CCOc1ccc(CCC2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)cc1 ZINC000021342537 520945653 /nfs/dbraw/zinc/94/56/53/520945653.db2.gz PNWKDVPGVDNLQK-UHFFFAOYSA-N 0 0 433.552 3.975 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1OCC ZINC000021159174 520953209 /nfs/dbraw/zinc/95/32/09/520953209.db2.gz OGXKXQLQORDAON-IBGZPJMESA-N 0 0 436.556 3.936 50 0 IHAARN CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1OCC ZINC000020577993 520954442 /nfs/dbraw/zinc/95/44/42/520954442.db2.gz YEUIMQOSIWZURF-UHFFFAOYSA-N 0 0 444.553 3.751 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)CC(C)C)ccc3n2C(C)C)CC1 ZINC000020893409 520955792 /nfs/dbraw/zinc/95/57/92/520955792.db2.gz CZDAYVITRADFOQ-UHFFFAOYSA-N 0 0 429.565 3.876 50 0 IHAARN CC1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccccc1Cl ZINC000035981547 520967003 /nfs/dbraw/zinc/96/70/03/520967003.db2.gz FDQJNDAEMVOVMX-VRVFXRSRSA-N 0 0 427.932 3.799 50 0 IHAARN CCOc1ccc(NC(=O)CCc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1 ZINC000035528514 521056048 /nfs/dbraw/zinc/05/60/48/521056048.db2.gz QOPMKPCZPGJIEK-UHFFFAOYSA-N 0 0 439.541 3.732 50 0 IHAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C1CC1 ZINC000036055619 521085831 /nfs/dbraw/zinc/08/58/31/521085831.db2.gz PYGGAJVIWSMNCC-UHFFFAOYSA-N 0 0 448.523 3.896 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 ZINC000035946505 521086744 /nfs/dbraw/zinc/08/67/44/521086744.db2.gz RYXXVTSETLQFOA-QFIPXVFZSA-N 0 0 425.504 3.697 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc32)cc1S(=O)(=O)N(C)C ZINC000012777556 521114518 /nfs/dbraw/zinc/11/45/18/521114518.db2.gz FCMRRDZXQOHQCT-UHFFFAOYSA-N 0 0 427.526 3.753 50 0 IHAARN CCOc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012536633 521126382 /nfs/dbraw/zinc/12/63/82/521126382.db2.gz JBIIZQZCFFBXNP-UHFFFAOYSA-N 0 0 431.558 3.701 50 0 IHAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccco2)CC1 ZINC000033069333 521193338 /nfs/dbraw/zinc/19/33/38/521193338.db2.gz SUOSLAAFSMMBOK-UHFFFAOYSA-N 0 0 435.528 3.655 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1 ZINC000017308103 521201008 /nfs/dbraw/zinc/20/10/08/521201008.db2.gz XUZVTKSNVCFNDB-UHFFFAOYSA-N 0 0 442.566 3.686 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)[C@@H](C(=O)N1CCCC1)C2 ZINC000065166940 521219752 /nfs/dbraw/zinc/21/97/52/521219752.db2.gz IMPMJWZFEBHNNM-OAQYLSRUSA-N 0 0 439.943 3.878 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)s1 ZINC000020984423 521232457 /nfs/dbraw/zinc/23/24/57/521232457.db2.gz VVNNBLHZNCQQKM-UHFFFAOYSA-N 0 0 436.588 3.691 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000012548744 521248560 /nfs/dbraw/zinc/24/85/60/521248560.db2.gz XZZOQNPSBHLLEX-UHFFFAOYSA-N 0 0 432.542 3.636 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000012591745 521349042 /nfs/dbraw/zinc/34/90/42/521349042.db2.gz FDVNCSDGSJNQRQ-UHFFFAOYSA-N 0 0 429.517 3.969 50 0 IHAARN CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532661 521356982 /nfs/dbraw/zinc/35/69/82/521356982.db2.gz RNNKKLMRJMALCV-UHFFFAOYSA-N 0 0 439.581 3.716 50 0 IHAARN CCN(Cc1ccccc1)C(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109515 521362575 /nfs/dbraw/zinc/36/25/75/521362575.db2.gz OTPXIDMWNCHCAH-JGCGQSQUSA-N 0 0 446.576 3.960 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2c2ccsc2c1=O ZINC000035531990 521379658 /nfs/dbraw/zinc/37/96/58/521379658.db2.gz VCOGKWLVSYCAAL-UHFFFAOYSA-N 0 0 449.508 3.915 50 0 IHAARN CCCCn1c2nnc(CCC(=O)Nc3ccc(OCC)cc3)n2c2ccsc2c1=O ZINC000035528733 521379830 /nfs/dbraw/zinc/37/98/30/521379830.db2.gz SNEUHBSAHSBLGN-UHFFFAOYSA-N 0 0 439.541 3.876 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(CC)S(=O)(=O)c2ccccc2)c(C)n1CC ZINC000036027540 521387370 /nfs/dbraw/zinc/38/73/70/521387370.db2.gz VWHSWKAKRCZNGI-QGZVFWFLSA-N 0 0 434.558 3.584 50 0 IHAARN CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCS(=O)(=O)C2 ZINC000012582408 521410638 /nfs/dbraw/zinc/41/06/38/521410638.db2.gz WGAFXUZDVYMAOS-UHFFFAOYSA-N 0 0 443.546 3.730 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3cccc(Cl)c3)ccc1=O)CCC2 ZINC000012111615 521419637 /nfs/dbraw/zinc/41/96/37/521419637.db2.gz VLFSRERBRKTZMC-UHFFFAOYSA-N 0 0 443.912 3.865 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)NC(C)C ZINC000036040500 521431500 /nfs/dbraw/zinc/43/15/00/521431500.db2.gz VCLPEOCNYSZADK-UHFFFAOYSA-N 0 0 434.606 3.761 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)C(C)C ZINC000036040175 521433496 /nfs/dbraw/zinc/43/34/96/521433496.db2.gz BMWKSBIAZXPNJZ-UHFFFAOYSA-N 0 0 439.581 3.910 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000021739236 521459472 /nfs/dbraw/zinc/45/94/72/521459472.db2.gz SQUVCEMNHGETJM-DLBZAZTESA-N 0 0 426.513 3.899 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)N3CCc4c5cc(OC)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012864698 521483356 /nfs/dbraw/zinc/48/33/56/521483356.db2.gz WJQSKLUGRYZHBB-DEOSSOPVSA-N 0 0 433.464 3.593 50 0 biogenic IHAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000065474784 521484809 /nfs/dbraw/zinc/48/48/09/521484809.db2.gz ICKKNCUCENDAQA-UHFFFAOYSA-N 0 0 437.544 3.883 50 0 IHAARN CCOc1ccccc1NC(=O)COc1cc(CSc2nccc(C)n2)ncc1OC ZINC000015824398 521528625 /nfs/dbraw/zinc/52/86/25/521528625.db2.gz KYGPEGZXSQBACF-UHFFFAOYSA-N 0 0 440.525 3.897 50 0 IHAARN CCCc1nn2c(nc(CSCC(=O)Nc3cccc(C(F)(F)F)c3)cc2=O)s1 ZINC000021042334 521558409 /nfs/dbraw/zinc/55/84/09/521558409.db2.gz GPYNVTLCHWVNAD-UHFFFAOYSA-N 0 0 442.488 3.994 50 0 IHAARN CCOC(=O)c1cnc(S[C@H](CC)C(=O)Nc2ccccc2C(F)(F)F)nc1N ZINC000021871517 521574550 /nfs/dbraw/zinc/57/45/50/521574550.db2.gz MGXDKIKJIMHWRG-CYBMUJFWSA-N 0 0 428.436 3.764 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)nc1C ZINC000020607609 521613986 /nfs/dbraw/zinc/61/39/86/521613986.db2.gz PAPOZRHQQWZKEL-NSHDSACASA-N 0 0 430.452 3.922 50 0 IHAARN CCCn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)C2CCCCC2)CC1)CCCC3 ZINC000012407560 521616606 /nfs/dbraw/zinc/61/66/06/521616606.db2.gz XBVUJCNCLKEOCM-UHFFFAOYSA-N 0 0 442.629 3.976 50 0 IHAARN CCCn1c(SCCC(=O)NC(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCC3 ZINC000012751351 521634016 /nfs/dbraw/zinc/63/40/16/521634016.db2.gz PVSZDNBXMVYSMH-UHFFFAOYSA-N 0 0 448.614 3.607 50 0 IHAARN CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012908949 521683395 /nfs/dbraw/zinc/68/33/95/521683395.db2.gz LZNSIMSGVGSXAM-WOJBJXKFSA-N 0 0 444.597 3.845 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(=O)c2ccccc2OC)ccc1OC ZINC000035155164 521686405 /nfs/dbraw/zinc/68/64/05/521686405.db2.gz UMMXSIHIHTVGDV-UHFFFAOYSA-N 0 0 435.542 3.731 50 0 IHAARN CCN1CCN(c2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012419275 521701548 /nfs/dbraw/zinc/70/15/48/521701548.db2.gz RCEKBVVOAGRHAO-UHFFFAOYSA-N 0 0 425.554 3.933 50 0 IHAARN CCN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2CC)C1=O ZINC000021169431 521730747 /nfs/dbraw/zinc/73/07/47/521730747.db2.gz YXWIKWOMICUERL-MRXNPFEDSA-N 0 0 426.314 3.872 50 0 IHAARN CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012892957 521825054 /nfs/dbraw/zinc/82/50/54/521825054.db2.gz POLIAQSFAVJGDE-KBXCAEBGSA-N 0 0 445.556 3.669 50 0 biogenic IHAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1 ZINC000001111867 521838913 /nfs/dbraw/zinc/83/89/13/521838913.db2.gz RGHBMADWBXXXNX-UHFFFAOYSA-N 0 0 440.352 3.965 50 0 IHAARN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403237 521865926 /nfs/dbraw/zinc/86/59/26/521865926.db2.gz LBMUYHUDVCTJNR-NRFANRHFSA-N 0 0 425.504 3.537 50 0 IHAARN COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000018903358 521967019 /nfs/dbraw/zinc/96/70/19/521967019.db2.gz JTUWAQPSQSJEBM-KQPILXQHSA-N 0 0 439.556 3.925 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NC3CCCC3)n2Cc2ccccc2)c1 ZINC000035561341 521993218 /nfs/dbraw/zinc/99/32/18/521993218.db2.gz CAHSVWLTYYXETD-UHFFFAOYSA-N 0 0 425.554 3.612 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)O2)c1 ZINC000023109359 521996941 /nfs/dbraw/zinc/99/69/41/521996941.db2.gz JQRSFXOWQAQABS-UYRXBGFRSA-N 0 0 440.452 3.681 50 0 IHAARN COc1cc(Br)c(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OC ZINC000012915021 522021226 /nfs/dbraw/zinc/02/12/26/522021226.db2.gz LEOQCZPFMUZHNA-UHFFFAOYSA-N 0 0 433.302 3.996 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)cc1 ZINC000021417747 522026181 /nfs/dbraw/zinc/02/61/81/522026181.db2.gz UAUCIBPLUFMNQJ-LBPRGKRZSA-N 0 0 426.523 3.528 50 0 IHAARN COCCn1c(=O)c2c3c(sc2nc1SCc1nc(-c2ccco2)no1)CCCC3 ZINC000012821743 522056619 /nfs/dbraw/zinc/05/66/19/522056619.db2.gz UTGWNZUDOKCTRK-UHFFFAOYSA-N 0 0 444.538 3.919 50 0 IHAARN CC[C@H](C)n1cc(C(=O)NC2Cc3ccccc3C2)c(=O)c(C(=O)N2CCCCCC2)c1 ZINC000012333783 522070700 /nfs/dbraw/zinc/07/07/00/522070700.db2.gz NNRKESFBFFYQIV-SFHVURJKSA-N 0 0 435.568 3.733 50 0 IHAARN COCCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cn(C)nc1OC ZINC000012422665 522072397 /nfs/dbraw/zinc/07/23/97/522072397.db2.gz MVPQXDFQSCUBDB-UHFFFAOYSA-N 0 0 427.452 3.645 50 0 IHAARN COCCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000012925491 522074488 /nfs/dbraw/zinc/07/44/88/522074488.db2.gz NMGJACXEEHUNIR-NRFANRHFSA-N 0 0 437.565 3.889 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(C)c(NC(C)=O)c4)CC3)cc2)no1 ZINC000035552705 522147331 /nfs/dbraw/zinc/14/73/31/522147331.db2.gz UCXWJYHANWGTEW-UHFFFAOYSA-N 0 0 433.512 3.528 50 0 IHAARN COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000021572966 522176666 /nfs/dbraw/zinc/17/66/66/522176666.db2.gz QOOPQDORGLSQBC-LBPRGKRZSA-N 0 0 439.249 3.908 50 0 IHAARN COc1cc(C)c(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1OC ZINC000022414788 522200068 /nfs/dbraw/zinc/20/00/68/522200068.db2.gz PLGBCGWUEJLUNH-UHFFFAOYSA-N 0 0 446.301 3.513 50 0 IHAARN CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 ZINC000012605185 522222536 /nfs/dbraw/zinc/22/25/36/522222536.db2.gz OMOSWKUWFOFDBJ-GFCCVEGCSA-N 0 0 441.347 3.787 50 0 IHAARN COC(=O)c1cccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127902 522231618 /nfs/dbraw/zinc/23/16/18/522231618.db2.gz PWEUVYXMYXTXNU-QFIPXVFZSA-N 0 0 429.476 3.925 50 0 IHAARN CNS(=O)(=O)c1cc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)ccc1C ZINC000020728122 522254819 /nfs/dbraw/zinc/25/48/19/522254819.db2.gz KCYBIOWWRFYVKX-UHFFFAOYSA-N 0 0 436.581 3.819 50 0 IHAARN COC(=O)c1ccccc1-n1nnc2c(sc3nc(C)c(Br)c(C)c32)c1=O ZINC000015831393 522257011 /nfs/dbraw/zinc/25/70/11/522257011.db2.gz MYMLFIUDUAGKDR-UHFFFAOYSA-N 0 0 445.298 3.556 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 ZINC000021099554 522280194 /nfs/dbraw/zinc/28/01/94/522280194.db2.gz SFDFALDKPYZPFL-UHFFFAOYSA-N 0 0 444.447 3.704 50 0 IHAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 ZINC000012934072 522427539 /nfs/dbraw/zinc/42/75/39/522427539.db2.gz BJQCOBLVIOOSFM-CYBMUJFWSA-N 0 0 449.536 3.522 50 0 IHAARN CN(CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)Cc1nc2ccccc2s1 ZINC000012771723 522437576 /nfs/dbraw/zinc/43/75/76/522437576.db2.gz DJCMQURYUVYQTP-UHFFFAOYSA-N 0 0 446.979 3.865 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(N2CCCN(C(=O)NC(C)C)CC2)n1 ZINC000036026008 522468337 /nfs/dbraw/zinc/46/83/37/522468337.db2.gz QGYALYFZGPCIRM-UHFFFAOYSA-N 0 0 435.576 3.625 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000036001936 522468409 /nfs/dbraw/zinc/46/84/09/522468409.db2.gz NGJVBERHHVLQIY-UHFFFAOYSA-N 0 0 440.551 3.957 50 0 IHAARN CCc1nc2ccccc2c(NC(=O)CN2CCN(CC(=O)c3ccccc3)CC2)c1C ZINC000022043357 522497007 /nfs/dbraw/zinc/49/70/07/522497007.db2.gz SUZNFRKDVJZSDQ-UHFFFAOYSA-N 0 0 430.552 3.545 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000012653697 522503930 /nfs/dbraw/zinc/50/39/30/522503930.db2.gz ZDSMDODCSHEMRE-UHFFFAOYSA-N 0 0 435.702 3.501 50 0 IHAARN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853597 522537339 /nfs/dbraw/zinc/53/73/39/522537339.db2.gz QNWBSBFGWPSXLA-INIZCTEOSA-N 0 0 434.949 3.687 50 0 IHAARN CCc1nn2c(nc(CSc3nccn3-c3ccc(Br)cc3)cc2=O)s1 ZINC000022133813 522710344 /nfs/dbraw/zinc/71/03/44/522710344.db2.gz KLTNPLDRKUYTRG-UHFFFAOYSA-N 0 0 448.371 3.954 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000012533522 522727179 /nfs/dbraw/zinc/72/71/79/522727179.db2.gz QVBHPIHMDUDLRP-UHFFFAOYSA-N 0 0 445.519 3.919 50 0 IHAARN COCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)c2ccco2)ccc1N(C)C ZINC000035947417 522733171 /nfs/dbraw/zinc/73/31/71/522733171.db2.gz KLHZZNWNTSYPAE-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1cc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc(OC)c1 ZINC000033088450 522733787 /nfs/dbraw/zinc/73/37/87/522733787.db2.gz JULATRHPPWIWLE-UHFFFAOYSA-N 0 0 433.346 3.673 50 0 IHAARN CCc1nnc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)s1 ZINC000021289160 522773576 /nfs/dbraw/zinc/77/35/76/522773576.db2.gz INUYZVINRTXYTC-HNNXBMFYSA-N 0 0 425.539 3.623 50 0 IHAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000023331111 522842411 /nfs/dbraw/zinc/84/24/11/522842411.db2.gz WKZRMQPHPWVXHX-UHFFFAOYSA-N 0 0 426.469 3.657 50 0 biogenic IHAARN COc1cc(OC)cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc32)c1 ZINC000021486784 522859680 /nfs/dbraw/zinc/85/96/80/522859680.db2.gz RPNTXLVUBUVFHD-UHFFFAOYSA-N 0 0 442.899 3.957 50 0 IHAARN COCc1c(C(=O)N2CCc3c(sc4ncnc(N)c43)C2)sc2cccc(F)c21 ZINC000012787788 522899114 /nfs/dbraw/zinc/89/91/14/522899114.db2.gz NKASQEKUEZJQKU-UHFFFAOYSA-N 0 0 428.514 3.972 50 0 IHAARN COC(=O)C1CCN(C(=O)CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)CC1 ZINC000021722509 522909453 /nfs/dbraw/zinc/90/94/53/522909453.db2.gz BVFBNRXVARMYGQ-UHFFFAOYSA-N 0 0 438.553 3.517 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)c12 ZINC000021533258 522922739 /nfs/dbraw/zinc/92/27/39/522922739.db2.gz KOGXFMNZPWAYFM-KRWDZBQOSA-N 0 0 439.585 3.786 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)c12 ZINC000021881411 522923023 /nfs/dbraw/zinc/92/30/23/522923023.db2.gz ZQGNEIRUWHZVEV-INIZCTEOSA-N 0 0 427.936 3.717 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c(OC)cc1Br ZINC000035678598 522928325 /nfs/dbraw/zinc/92/83/25/522928325.db2.gz HBBYUYGJQQMJMG-KRWDZBQOSA-N 0 0 439.306 3.580 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000012320283 522960329 /nfs/dbraw/zinc/96/03/29/522960329.db2.gz QZKOHJQWOSXQLG-INIZCTEOSA-N 0 0 433.474 3.832 50 0 IHAARN CC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 ZINC000012433439 522970242 /nfs/dbraw/zinc/97/02/42/522970242.db2.gz RZLXMEVIXFKKEQ-JOCHJYFZSA-N 0 0 437.650 3.630 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(C=Cc3ccc(C)o3)n1)CC2 ZINC000012842531 523028477 /nfs/dbraw/zinc/02/84/77/523028477.db2.gz UPJYGMVAYNJARQ-VOTSOKGWSA-N 0 0 440.525 3.571 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)N(C(=O)NC(C)C)CC2 ZINC000036041088 523038090 /nfs/dbraw/zinc/03/80/90/523038090.db2.gz WHHHKQFLQFXTJG-HXUWFJFHSA-N 0 0 440.544 3.851 50 0 IHAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)Cc3ccco3)no2)cc1 ZINC000036001358 523093530 /nfs/dbraw/zinc/09/35/30/523093530.db2.gz DPRCWNHARYYIJV-UHFFFAOYSA-N 0 0 437.496 3.988 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3-n3cccn3)c3cnn(C)c3n2)cc1 ZINC000036616574 523097420 /nfs/dbraw/zinc/09/74/20/523097420.db2.gz GUTYDECPLKBQSZ-UHFFFAOYSA-N 0 0 438.491 3.760 50 0 IHAARN CCn1c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(OC)c2)C2CC2)c(C)c1C(=O)OC ZINC000036025535 523122983 /nfs/dbraw/zinc/12/29/83/523122983.db2.gz WIMCMMBCMZTTRE-MRXNPFEDSA-N 0 0 426.513 3.796 50 0 IHAARN CCn1c(C)c(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036018975 523123682 /nfs/dbraw/zinc/12/36/82/523123682.db2.gz SRCWEBJTLXLHIC-UHFFFAOYSA-N 0 0 448.585 3.749 50 0 IHAARN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C ZINC000012795292 523132130 /nfs/dbraw/zinc/13/21/30/523132130.db2.gz MAJXLTCGAIPSHS-UHFFFAOYSA-N 0 0 444.384 3.578 50 0 IHAARN COc1ccc(-c2cn3nc(SCC(=O)NCc4ccc5c(c4)OCO5)ccc3n2)cc1 ZINC000020605179 523145219 /nfs/dbraw/zinc/14/52/19/523145219.db2.gz IJWGGPCZTUIAGL-UHFFFAOYSA-N 0 0 448.504 3.542 50 0 IHAARN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012604177 523158250 /nfs/dbraw/zinc/15/82/50/523158250.db2.gz KONYNFZLIJLGAI-UHFFFAOYSA-N 0 0 436.940 3.912 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccc4O)CC3)s2)cc1OC ZINC000012536515 523192391 /nfs/dbraw/zinc/19/23/91/523192391.db2.gz GFUOLSRFHJJPPY-UHFFFAOYSA-N 0 0 439.537 3.804 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241706 523216364 /nfs/dbraw/zinc/21/63/64/523216364.db2.gz WMYQBZUFFBUDPA-LHEBDHONSA-N 0 0 442.537 3.793 50 0 IHAARN COc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4)c3=O)c(C)o2)cc1 ZINC000021722965 523216704 /nfs/dbraw/zinc/21/67/04/523216704.db2.gz NJEWVYJURKQTCL-UHFFFAOYSA-N 0 0 440.459 3.568 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1c[nH]c2ccccc21 ZINC000012468910 523223567 /nfs/dbraw/zinc/22/35/67/523223567.db2.gz ODNVKKNDZNWOSO-UHFFFAOYSA-N 0 0 435.509 3.584 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087527 523228828 /nfs/dbraw/zinc/22/88/28/523228828.db2.gz CZDWOHOUDXQDSO-UHFFFAOYSA-N 0 0 440.525 3.866 50 0 IHAARN COc1ccc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(N3CCc4ccccc4C3)n2)cc1 ZINC000035988106 523237278 /nfs/dbraw/zinc/23/72/78/523237278.db2.gz FOMRJBWQMMZUIN-JOCHJYFZSA-N 0 0 444.535 3.624 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3cccc(F)c3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021640975 523255026 /nfs/dbraw/zinc/25/50/26/523255026.db2.gz RKFNVYDCAOKIRY-UHFFFAOYSA-N 0 0 433.487 3.929 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)o2)c(OC)c1 ZINC000012552985 523264272 /nfs/dbraw/zinc/26/42/72/523264272.db2.gz SRUJUPKTJOJRTD-CYBMUJFWSA-N 0 0 428.514 3.939 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021865044 523292058 /nfs/dbraw/zinc/29/20/58/523292058.db2.gz ACRSAJGJBWWJCO-HOOSLVGPSA-N 0 0 427.545 3.694 50 0 IHAARN COCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021857962 523292413 /nfs/dbraw/zinc/29/24/13/523292413.db2.gz KWBZKZIIOGKSEV-VWLOTQADSA-N 0 0 441.572 3.740 50 0 IHAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cn1 ZINC000020603745 523299795 /nfs/dbraw/zinc/29/97/95/523299795.db2.gz LFQFAYNSRZJLKO-NSHDSACASA-N 0 0 425.436 3.535 50 0 IHAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccccc1 ZINC000012090435 523334396 /nfs/dbraw/zinc/33/43/96/523334396.db2.gz JWJGUHAVRFDKJH-JOCHJYFZSA-N 0 0 436.512 3.896 50 0 IHAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000020564462 523348248 /nfs/dbraw/zinc/34/82/48/523348248.db2.gz GDIBQHZDTPAEMI-UHFFFAOYSA-N 0 0 448.571 3.716 50 0 IHAARN CCn1cc(C(=O)OCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 ZINC000021733182 523351502 /nfs/dbraw/zinc/35/15/02/523351502.db2.gz LTKNYXDHNVOEDO-UHFFFAOYSA-N 0 0 427.888 3.535 50 0 IHAARN COCCCNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)ccc1C ZINC000021855379 523355231 /nfs/dbraw/zinc/35/52/31/523355231.db2.gz QTHWFPCGALVVDH-AREMUKBSSA-N 0 0 446.551 3.739 50 0 IHAARN COC(=O)Cc1ccc(OCC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000012925333 523366886 /nfs/dbraw/zinc/36/68/86/523366886.db2.gz CJDZKSMZJMULQH-UHFFFAOYSA-N 0 0 449.503 3.704 50 0 IHAARN CN(Cc1ccccc1F)C(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000012802368 523367516 /nfs/dbraw/zinc/36/75/16/523367516.db2.gz NPCVMPAPYYDZFB-UHFFFAOYSA-N 0 0 434.924 3.937 50 0 IHAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cn(CC(C)C)nc2C)c(C)n1 ZINC000020602676 523369899 /nfs/dbraw/zinc/36/98/99/523369899.db2.gz RWXAEFAFPXPGMN-UHFFFAOYSA-N 0 0 447.580 3.903 50 0 IHAARN CN(Cc1ccccc1N1CCCCC1)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000022878310 523374492 /nfs/dbraw/zinc/37/44/92/523374492.db2.gz VZXONZGDQHLUDP-UHFFFAOYSA-N 0 0 436.600 3.851 50 0 IHAARN CN(Cc1ccco1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O ZINC000012195289 523427840 /nfs/dbraw/zinc/42/78/40/523427840.db2.gz MYNGWZGQLUJBRE-NRFANRHFSA-N 0 0 434.414 3.506 50 0 IHAARN COc1ccc(/C=C\C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000033469959 523430081 /nfs/dbraw/zinc/43/00/81/523430081.db2.gz QEPBACZETOUTHL-QBFSEMIESA-N 0 0 428.554 3.508 50 0 IHAARN COc1ccc(Br)cc1C1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)O1 ZINC000020615973 523493400 /nfs/dbraw/zinc/49/34/00/523493400.db2.gz CUNBMZMQXRQCLG-AUWJEWJLSA-N 0 0 448.269 3.828 50 0 IHAARN COCCCn1c(=O)c2c3c(sc2nc1SCc1noc(-c2ccco2)n1)CCC3 ZINC000012918281 523496320 /nfs/dbraw/zinc/49/63/20/523496320.db2.gz SWJPONOGMCEYEJ-UHFFFAOYSA-N 0 0 444.538 3.919 50 0 IHAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccncc1 ZINC000012390706 523499234 /nfs/dbraw/zinc/49/92/34/523499234.db2.gz NQWNNNOFLLJXNZ-UHFFFAOYSA-N 0 0 427.526 3.622 50 0 IHAARN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000020995211 523579359 /nfs/dbraw/zinc/57/93/59/523579359.db2.gz VSRBRCBCRVBSLC-QGZVFWFLSA-N 0 0 435.446 3.857 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(NC(=O)COCc3ccccc3)s2)cc1 ZINC000035912974 523592351 /nfs/dbraw/zinc/59/23/51/523592351.db2.gz NPJMRUVTSBZCTD-UHFFFAOYSA-N 0 0 429.523 3.677 50 0 IHAARN CN(Cc1nn(C)c(Cl)c1Cl)C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020608224 523608032 /nfs/dbraw/zinc/60/80/32/523608032.db2.gz VCKVWRQEANMIIE-UHFFFAOYSA-N 0 0 426.251 3.966 50 0 IHAARN CCn1nc(C)c(-c2cc(C(=O)OC)n3nc4nc(C(F)(F)F)cc(C)c4c3n2)c1C ZINC000020604940 523620884 /nfs/dbraw/zinc/62/08/84/523620884.db2.gz IIRROEVZDKQQMG-UHFFFAOYSA-N 0 0 432.406 3.892 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1OC ZINC000015882371 523650099 /nfs/dbraw/zinc/65/00/99/523650099.db2.gz JEHIFGJUWWUGFL-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)C(C)C ZINC000035946732 523652336 /nfs/dbraw/zinc/65/23/36/523652336.db2.gz OTTJCIDCICYQPQ-LJQANCHMSA-N 0 0 431.533 3.696 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)C(C)C ZINC000035961564 523652753 /nfs/dbraw/zinc/65/27/53/523652753.db2.gz GXUVZHNVGNVFOK-IBGZPJMESA-N 0 0 431.533 3.696 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)C1CC1 ZINC000035948540 523652893 /nfs/dbraw/zinc/65/28/93/523652893.db2.gz UMGRLFVIAZYBFK-QGZVFWFLSA-N 0 0 431.583 3.681 50 0 IHAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)C1CC1 ZINC000036044915 523657522 /nfs/dbraw/zinc/65/75/22/523657522.db2.gz PZKCJLJLHMFJBS-UHFFFAOYSA-N 0 0 432.524 3.671 50 0 IHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@H](c3ccccc3OC)C2)cc1 ZINC000036051615 523671316 /nfs/dbraw/zinc/67/13/16/523671316.db2.gz FZYAATDRGOFTHZ-ZEQRLZLVSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN COc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012768078 523717933 /nfs/dbraw/zinc/71/79/33/523717933.db2.gz DOKZGVBGPQDYRE-LEWJYISDSA-N 0 0 431.964 3.522 50 0 IHAARN CC[C@H](C(=O)Nc1ccc(OC)cc1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563374 523800709 /nfs/dbraw/zinc/80/07/09/523800709.db2.gz UOKRIYBYHQUADH-HXUWFJFHSA-N 0 0 431.496 3.797 50 0 IHAARN CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000021577611 523829750 /nfs/dbraw/zinc/82/97/50/523829750.db2.gz PNWTZPYPHAPSGP-HSZRJFAPSA-N 0 0 443.883 3.723 50 0 IHAARN CN(C(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000021657171 523840675 /nfs/dbraw/zinc/84/06/75/523840675.db2.gz YOLXLZBJMQYEAR-UHFFFAOYSA-N 0 0 437.544 3.697 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@@H](c3ccco3)C2)cc1 ZINC000035948166 523875524 /nfs/dbraw/zinc/87/55/24/523875524.db2.gz BZTVJBJXCCWCKR-OAQYLSRUSA-N 0 0 435.455 3.877 50 0 IHAARN CCc1ccc(C2=C(C)C(NCC(=O)Nc3cccc(Cl)c3C)=NS2(=O)=O)cc1 ZINC000020992426 523901823 /nfs/dbraw/zinc/90/18/23/523901823.db2.gz ZGWRMBQWXPBMKI-UHFFFAOYSA-N 0 0 431.945 3.912 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000021103497 523918773 /nfs/dbraw/zinc/91/87/73/523918773.db2.gz CKSVDHYLNALWQW-UHFFFAOYSA-N 0 0 426.904 3.680 50 0 IHAARN CCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012917571 523918897 /nfs/dbraw/zinc/91/88/97/523918897.db2.gz YJVGSRZRWDMCIW-UHFFFAOYSA-N 0 0 440.609 3.797 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1 ZINC000035766965 523925716 /nfs/dbraw/zinc/92/57/16/523925716.db2.gz LSQNIZCFDSMGQH-AVRDEDQJSA-N 0 0 430.520 3.796 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000021599781 523955195 /nfs/dbraw/zinc/95/51/95/523955195.db2.gz JUIURYORLRKCOX-UHFFFAOYSA-N 0 0 440.569 3.613 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)cc1OC ZINC000012249007 523959610 /nfs/dbraw/zinc/95/96/10/523959610.db2.gz QYGASERBDJFXLG-UHFFFAOYSA-N 0 0 439.946 3.920 50 0 IHAARN COc1ccc(CCNC(=O)c2ccsc2NC(=O)c2c(C)noc2C)cc1OC ZINC000016400548 523971405 /nfs/dbraw/zinc/97/14/05/523971405.db2.gz AVKPFCFDFFNTIC-UHFFFAOYSA-N 0 0 429.498 3.595 50 0 IHAARN CCc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000021885422 524000596 /nfs/dbraw/zinc/00/05/96/524000596.db2.gz XLEJPRPKJQFDHQ-UHFFFAOYSA-N 0 0 440.912 3.998 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)s1 ZINC000015783910 524014189 /nfs/dbraw/zinc/01/41/89/524014189.db2.gz YIEWCJVDGNVDOO-UHFFFAOYSA-N 0 0 432.596 3.911 50 0 IHAARN COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2)cc1OS(C)(=O)=O ZINC000035776880 524015464 /nfs/dbraw/zinc/01/54/64/524015464.db2.gz YTFSUEQHWJRRIW-UHFFFAOYSA-N 0 0 430.482 3.861 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)cc1 ZINC000035530157 524045386 /nfs/dbraw/zinc/04/53/86/524045386.db2.gz VBAWNTQHUQCWLG-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000035530108 524045831 /nfs/dbraw/zinc/04/58/31/524045831.db2.gz ZZTZEIQDXGPNGA-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000021530218 524047432 /nfs/dbraw/zinc/04/74/32/524047432.db2.gz OBSWRSOATBVNAZ-UHFFFAOYSA-N 0 0 447.535 3.897 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885246 524062348 /nfs/dbraw/zinc/06/23/48/524062348.db2.gz HCGFGGPKWKSLNG-LJQANCHMSA-N 0 0 446.507 3.682 50 0 IHAARN CCc1cccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCCCOC)c1 ZINC000021855491 524071490 /nfs/dbraw/zinc/07/14/90/524071490.db2.gz NWUSGBGXFBKIJD-AREMUKBSSA-N 0 0 446.551 3.684 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000035178683 524106788 /nfs/dbraw/zinc/10/67/88/524106788.db2.gz MAICJSHSEWKQBX-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nn2)c1 ZINC000035398317 524110633 /nfs/dbraw/zinc/11/06/33/524110633.db2.gz TWCVKUVKEHEGMN-HXUWFJFHSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000012898896 524115948 /nfs/dbraw/zinc/11/59/48/524115948.db2.gz BTDUPHYVLXWNQD-UHFFFAOYSA-N 0 0 441.601 3.557 50 0 IHAARN COc1ccc(COC[C@@H](O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000012782946 524118074 /nfs/dbraw/zinc/11/80/74/524118074.db2.gz OQYKDYSPLJWFNC-NRFANRHFSA-N 0 0 430.504 3.958 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC2CC2)c1OC ZINC000036054542 524120790 /nfs/dbraw/zinc/12/07/90/524120790.db2.gz QUNXCIBUKXRIMR-VQTJNVASSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5cccc(F)c5)CC4)nn32)c1 ZINC000033260258 524128210 /nfs/dbraw/zinc/12/82/10/524128210.db2.gz QCWGNAYTGOKCFU-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000012910116 524189971 /nfs/dbraw/zinc/18/99/71/524189971.db2.gz UOSCSAKHLFGOCC-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN C[C@@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)C1 ZINC000035399828 524194815 /nfs/dbraw/zinc/19/48/15/524194815.db2.gz CTFRSTPHCRUNCC-QGZVFWFLSA-N 0 0 432.499 3.797 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)C(C)C)c1 ZINC000012892905 524200383 /nfs/dbraw/zinc/20/03/83/524200383.db2.gz NMRBWQPJOCCSAI-GAJHUEQPSA-N 0 0 436.508 3.916 50 0 IHAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000012898621 524200895 /nfs/dbraw/zinc/20/08/95/524200895.db2.gz YMQCNCZIDWIAQV-UHFFFAOYSA-N 0 0 428.551 3.912 50 0 IHAARN COc1ccc(Cl)cc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012888466 524203580 /nfs/dbraw/zinc/20/35/80/524203580.db2.gz UBOODCMWMIBQCX-UHFFFAOYSA-N 0 0 431.945 3.727 50 0 IHAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@H]3CCCO3)no2)c(C)c1 ZINC000036015787 524209071 /nfs/dbraw/zinc/20/90/71/524209071.db2.gz DEPARCFWBUCNIL-LJQANCHMSA-N 0 0 425.529 3.557 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000022732481 524230173 /nfs/dbraw/zinc/23/01/73/524230173.db2.gz MLGDGCUKWURJEZ-AWEZNQCLSA-N 0 0 428.963 3.982 50 0 IHAARN COc1cccc2cc(-c3nnc(NC(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)o3)oc21 ZINC000022677376 524254425 /nfs/dbraw/zinc/25/44/25/524254425.db2.gz TZAUSTMFPASPFH-CYBMUJFWSA-N 0 0 436.399 3.622 50 0 IHAARN COc1cccc2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)oc21 ZINC000001077402 524256166 /nfs/dbraw/zinc/25/61/66/524256166.db2.gz LSNJHMXGWHYIBV-UHFFFAOYSA-N 0 0 432.398 3.783 50 0 IHAARN COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc21 ZINC000017245473 524263939 /nfs/dbraw/zinc/26/39/39/524263939.db2.gz ROBJJLGUVDRCNM-AWEZNQCLSA-N 0 0 445.566 3.978 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 ZINC000012635244 524271847 /nfs/dbraw/zinc/27/18/47/524271847.db2.gz SAXZSYMUTZDBMI-SFHVURJKSA-N 0 0 427.570 3.641 50 0 IHAARN Cc1cc(C)c(Cn2c3ccccc3c(=O)n(CCC(=O)NC3CCCC3)c2=O)c(C)c1 ZINC000020152993 524274224 /nfs/dbraw/zinc/27/42/24/524274224.db2.gz QGGXYOSPDCWMAD-UHFFFAOYSA-N 0 0 433.552 3.586 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CCCc1c[nH]c2ccccc12 ZINC000021330885 524280486 /nfs/dbraw/zinc/28/04/86/524280486.db2.gz SBKNHNLFUNWVQB-SFHVURJKSA-N 0 0 435.524 3.794 50 0 IHAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532923 524282476 /nfs/dbraw/zinc/28/24/76/524282476.db2.gz HJWRHWSURRZDLC-UHFFFAOYSA-N 0 0 431.612 3.987 50 0 IHAARN COc1ccccc1-n1c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603756 524301353 /nfs/dbraw/zinc/30/13/53/524301353.db2.gz KFRUTRKIDZMJGN-UHFFFAOYSA-N 0 0 433.415 3.871 50 0 IHAARN Cc1cccc(C)c1OCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)COc1c(C)cccc1C ZINC000012462963 524308413 /nfs/dbraw/zinc/30/84/13/524308413.db2.gz GAXHQXXEYNUXTJ-SZPZYZBQSA-N 0 0 438.568 3.922 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c(C)c1 ZINC000012922400 524315403 /nfs/dbraw/zinc/31/54/03/524315403.db2.gz LQPFYOVIRVFYQE-UHFFFAOYSA-N 0 0 428.598 3.762 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cc1C ZINC000035531218 524315602 /nfs/dbraw/zinc/31/56/02/524315602.db2.gz QLNKCOIMVGNLNM-UHFFFAOYSA-N 0 0 432.561 3.858 50 0 IHAARN Cc1cccc(C)c1OCc1cc(C(=O)N2CCC(CCN3CCCC3=O)CC2)no1 ZINC000012441160 524320826 /nfs/dbraw/zinc/32/08/26/524320826.db2.gz XRPAHINFOUSMSP-UHFFFAOYSA-N 0 0 425.529 3.735 50 0 IHAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccc(F)cc1F ZINC000012610338 524348884 /nfs/dbraw/zinc/34/88/84/524348884.db2.gz LDKOFIFYGVFWRQ-UHFFFAOYSA-N 0 0 431.464 3.916 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000012603635 524357996 /nfs/dbraw/zinc/35/79/96/524357996.db2.gz WCMNGEYHLZLTQA-UHFFFAOYSA-N 0 0 448.470 3.753 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2)c2nc(C)ccc2c1=O ZINC000021151516 524361733 /nfs/dbraw/zinc/36/17/33/524361733.db2.gz UEZLHYQSKZSLJZ-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN COc1ccccc1C1=NO[C@@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020614160 524373384 /nfs/dbraw/zinc/37/33/84/524373384.db2.gz JFMFCLORNZVGGF-OAQYLSRUSA-N 0 0 447.457 3.551 50 0 IHAARN C[C@H](CNC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)c1ccccc1 ZINC000015776471 524382701 /nfs/dbraw/zinc/38/27/01/524382701.db2.gz OCVQNRYOXJKESB-QGZVFWFLSA-N 0 0 432.503 3.728 50 0 IHAARN COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1snnc1C)CC2 ZINC000012093814 524398213 /nfs/dbraw/zinc/39/82/13/524398213.db2.gz DSZAJMNKUBMREL-UHFFFAOYSA-N 0 0 436.537 3.625 50 0 IHAARN COc1ccc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(Cl)cc4)ccn23)cc1 ZINC000021640626 524478033 /nfs/dbraw/zinc/47/80/33/524478033.db2.gz KKKHBNGAOAVEAY-UHFFFAOYSA-N 0 0 437.887 3.504 50 0 IHAARN Cc1ccc(CN2C[C@H](C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600971 524482934 /nfs/dbraw/zinc/48/29/34/524482934.db2.gz NGSNAJQLGPMAKB-DENIHFKCSA-N 0 0 436.943 3.636 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1 ZINC000012414597 524516274 /nfs/dbraw/zinc/51/62/74/524516274.db2.gz MRCZKPIPABRUFN-OAHLLOKOSA-N 0 0 438.509 3.638 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 ZINC000018195092 524522273 /nfs/dbraw/zinc/52/22/73/524522273.db2.gz SAKYCYSRVVMHOG-NRFANRHFSA-N 0 0 446.532 3.621 50 0 IHAARN COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000012140721 524526841 /nfs/dbraw/zinc/52/68/41/524526841.db2.gz GSMUTZITTFCUFT-UHFFFAOYSA-N 0 0 441.443 3.546 50 0 IHAARN COc1ccccc1N([C@@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000016694794 524531142 /nfs/dbraw/zinc/53/11/42/524531142.db2.gz HRWADUZBGVHTHL-INIZCTEOSA-N 0 0 442.562 3.930 50 0 IHAARN Cc1ccc(CNC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)c2)o1 ZINC000035458597 524561995 /nfs/dbraw/zinc/56/19/95/524561995.db2.gz OXKVSQYREHAHCL-HSZRJFAPSA-N 0 0 443.503 3.669 50 0 IHAARN Cc1cccc(N2CCN(c3nc4nn(C)c(N)c4c(-c4ccc(F)cc4)n3)CC2)c1C ZINC000035930207 524563246 /nfs/dbraw/zinc/56/32/46/524563246.db2.gz SAKRZGDYBYUYFV-UHFFFAOYSA-N 0 0 431.519 3.695 50 0 IHAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3cccc(C)c3)n2)CC1 ZINC000021873581 524563700 /nfs/dbraw/zinc/56/37/00/524563700.db2.gz ZCVKWRQCFQWMEE-UHFFFAOYSA-N 0 0 429.528 3.751 50 0 IHAARN COc1ccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)cc1 ZINC000013361229 524581059 /nfs/dbraw/zinc/58/10/59/524581059.db2.gz UVIMDFBWELBTKC-UHFFFAOYSA-N 0 0 440.510 3.720 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC ZINC000012615485 524585677 /nfs/dbraw/zinc/58/56/77/524585677.db2.gz SFZIYFIELAJRSA-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000020579501 524606863 /nfs/dbraw/zinc/60/68/63/524606863.db2.gz GMKMFPNLSQEIGJ-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Sc2nc(CN3CCOCC3)nc3ccccc32)cc1 ZINC000022188515 524607035 /nfs/dbraw/zinc/60/70/35/524607035.db2.gz MMBZHSPEUZNTGO-INIZCTEOSA-N 0 0 438.553 3.590 50 0 IHAARN COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000033436066 524630890 /nfs/dbraw/zinc/63/08/90/524630890.db2.gz YPWKFEKPDJQBHJ-INIZCTEOSA-N 0 0 438.513 3.953 50 0 IHAARN COc1ccc(NC2(c3nnnn3-c3ccc(OC)c(OC)c3)CCCCC2)cc1OC ZINC000035622613 524675455 /nfs/dbraw/zinc/67/54/55/524675455.db2.gz SWQXHODBUSFFAA-UHFFFAOYSA-N 0 0 439.516 3.968 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000020510366 524738869 /nfs/dbraw/zinc/73/88/69/524738869.db2.gz ZCNFIAVYZWBFND-GFCCVEGCSA-N 0 0 438.958 3.884 50 0 IHAARN Cc1cc(CNCc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)nn1C ZINC000012445198 524758104 /nfs/dbraw/zinc/75/81/04/524758104.db2.gz RJPNYSWIWXJBIK-UHFFFAOYSA-N 0 0 448.958 3.518 50 0 IHAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000033265314 524764865 /nfs/dbraw/zinc/76/48/65/524764865.db2.gz KTWXLIWPVGJJSJ-UHFFFAOYSA-N 0 0 447.564 3.834 50 0 IHAARN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000012528900 524799905 /nfs/dbraw/zinc/79/99/05/524799905.db2.gz MECUUYTZSPZLHU-JLHYYAGUSA-N 0 0 444.553 3.920 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)C1CC1 ZINC000035948474 524806515 /nfs/dbraw/zinc/80/65/15/524806515.db2.gz NUDSPZPLAINCDW-HXUWFJFHSA-N 0 0 425.916 3.895 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c1 ZINC000015972563 524812525 /nfs/dbraw/zinc/81/25/25/524812525.db2.gz QAPLYOLNSIOZEF-WMZHIEFXSA-N 0 0 434.473 3.846 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000035561950 524833160 /nfs/dbraw/zinc/83/31/60/524833160.db2.gz BCXVEQIEWDZQST-KRWDZBQOSA-N 0 0 449.551 3.990 50 0 IHAARN Cc1ccc(F)cc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O ZINC000035425128 524858981 /nfs/dbraw/zinc/85/89/81/524858981.db2.gz CEBUKJAXTCTOOI-UHFFFAOYSA-N 0 0 443.438 3.923 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000033284537 524859886 /nfs/dbraw/zinc/85/98/86/524859886.db2.gz IUNJJHFQVIILJR-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 ZINC000040131419 524881086 /nfs/dbraw/zinc/88/10/86/524881086.db2.gz FZKFGWMGYNZQLH-GFCCVEGCSA-N 0 0 429.498 3.734 50 0 IHAARN Cc1cccc([C@H]2[C@@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924186 524900895 /nfs/dbraw/zinc/90/08/95/524900895.db2.gz RGKLUGSYNBMNSQ-DQEYMECFSA-N 0 0 445.563 3.567 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035962716 524912989 /nfs/dbraw/zinc/91/29/89/524912989.db2.gz YNHGCWINYPORKX-OAQYLSRUSA-N 0 0 441.503 3.635 50 0 IHAARN C[C@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000012597248 524964529 /nfs/dbraw/zinc/96/45/29/524964529.db2.gz XSVCNQUXUKDJQO-SFHVURJKSA-N 0 0 437.565 3.914 50 0 IHAARN COc1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000012761698 524973371 /nfs/dbraw/zinc/97/33/71/524973371.db2.gz VXKXIRRLGIUTFV-MRXNPFEDSA-N 0 0 426.469 3.713 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000012877128 525000707 /nfs/dbraw/zinc/00/07/07/525000707.db2.gz ZEZQBBXLCKGVQM-UHFFFAOYSA-N 0 0 437.568 3.691 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000015784007 525001196 /nfs/dbraw/zinc/00/11/96/525001196.db2.gz PTIWEBYHRZJQCS-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000001150981 525009503 /nfs/dbraw/zinc/00/95/03/525009503.db2.gz VARORDOPDJULLJ-UHFFFAOYSA-N 0 0 436.961 3.993 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000012779648 525015903 /nfs/dbraw/zinc/01/59/03/525015903.db2.gz JFCAHBWIWFDPSQ-UHFFFAOYSA-N 0 0 440.521 3.572 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000012578196 525033312 /nfs/dbraw/zinc/03/33/12/525033312.db2.gz WEUQRZHAOQBPFG-FQEVSTJZSA-N 0 0 442.519 3.607 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000012803294 525046832 /nfs/dbraw/zinc/04/68/32/525046832.db2.gz AUVCDSOMFSMKIE-OALUTQOASA-N 0 0 434.536 3.757 50 0 IHAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548485 525068844 /nfs/dbraw/zinc/06/88/44/525068844.db2.gz JNMIOQXTGQOHPW-SZNDQCEHSA-N 0 0 442.468 3.794 50 0 IHAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661229 525162211 /nfs/dbraw/zinc/16/22/11/525162211.db2.gz XXAHBLHIZIOQKT-UHFFFAOYSA-N 0 0 427.443 3.630 50 0 IHAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000023887445 525163276 /nfs/dbraw/zinc/16/32/76/525163276.db2.gz IONUGBCWLBDBIT-SFHVURJKSA-N 0 0 448.495 3.851 50 0 IHAARN COc1ccc([C@@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2cccc2)cc1 ZINC000020997588 525169844 /nfs/dbraw/zinc/16/98/44/525169844.db2.gz MTFSBCOFHHCNIM-HSZRJFAPSA-N 0 0 447.535 3.549 50 0 IHAARN COc1ccc([C@@H](CC(=O)NCc2ccccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000020560987 525171465 /nfs/dbraw/zinc/17/14/65/525171465.db2.gz QAIHQVWHNDSLCO-OAQYLSRUSA-N 0 0 431.492 3.502 50 0 IHAARN Cc1ccccc1COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CO)cc1=O ZINC000012231274 525177048 /nfs/dbraw/zinc/17/70/48/525177048.db2.gz LWGUVSGMVIDAHJ-UHFFFAOYSA-N 0 0 446.425 3.886 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)Cc2ccccc2)cc1OC ZINC000012371224 525187317 /nfs/dbraw/zinc/18/73/17/525187317.db2.gz JBPPNNUXNKQQCW-LJQANCHMSA-N 0 0 443.503 3.697 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)no1 ZINC000012135771 525211540 /nfs/dbraw/zinc/21/15/40/525211540.db2.gz VQRHPSFVGKZRBA-MRXNPFEDSA-N 0 0 426.546 3.669 50 0 IHAARN Cc1ccccc1Cn1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1=O ZINC000020893676 525211583 /nfs/dbraw/zinc/21/15/83/525211583.db2.gz AMIWJSPELPHPSA-UHFFFAOYSA-N 0 0 437.565 3.750 50 0 IHAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 ZINC000012507834 525216325 /nfs/dbraw/zinc/21/63/25/525216325.db2.gz IBRQCLNUFWVQDP-UHFFFAOYSA-N 0 0 426.523 3.844 50 0 IHAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000012605873 525217551 /nfs/dbraw/zinc/21/75/51/525217551.db2.gz JDEOMKFTKSIIPE-UHFFFAOYSA-N 0 0 445.522 3.595 50 0 IHAARN C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012321853 525226539 /nfs/dbraw/zinc/22/65/39/525226539.db2.gz DGHYOQPVZJOFRG-AWEZNQCLSA-N 0 0 429.432 3.981 50 0 IHAARN COc1ccc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c(OC)c1 ZINC000035143138 525234121 /nfs/dbraw/zinc/23/41/21/525234121.db2.gz HAYYVHVIYZKPJO-INIZCTEOSA-N 0 0 444.281 3.798 50 0 IHAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)C1=O ZINC000024277819 525235978 /nfs/dbraw/zinc/23/59/78/525235978.db2.gz PCEAAAHNZWMTKB-ZJSXRUAMSA-N 0 0 437.565 3.553 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000035405577 525238124 /nfs/dbraw/zinc/23/81/24/525238124.db2.gz ZOMCHQLODWDIGP-UHFFFAOYSA-N 0 0 442.519 3.510 50 0 IHAARN Cc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000033277887 525246734 /nfs/dbraw/zinc/24/67/34/525246734.db2.gz IAPGKAZEGSNSTI-UHFFFAOYSA-N 0 0 433.512 3.987 50 0 IHAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000012772772 525249350 /nfs/dbraw/zinc/24/93/50/525249350.db2.gz SNBQLYMSOJVRAI-KRWDZBQOSA-N 0 0 426.332 3.992 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(-n2cncn2)cc1 ZINC000012913542 525263635 /nfs/dbraw/zinc/26/36/35/525263635.db2.gz PANVOYNHFHPEQS-YLJYHZDGSA-N 0 0 425.492 3.651 50 0 IHAARN CS(=O)(=O)c1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000012758544 525269213 /nfs/dbraw/zinc/26/92/13/525269213.db2.gz IZJHBAIOAVUKLP-UHFFFAOYSA-N 0 0 445.544 3.932 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012886028 525269391 /nfs/dbraw/zinc/26/93/91/525269391.db2.gz HYHFCYZHCBKWAW-HXUWFJFHSA-N 0 0 432.592 3.799 50 0 IHAARN Cc1ccccc1Nc1nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(=S)s1 ZINC000012594517 525277783 /nfs/dbraw/zinc/27/77/83/525277783.db2.gz VSUPGOSZPWPRBE-OAHLLOKOSA-N 0 0 426.633 3.829 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000012268385 525319353 /nfs/dbraw/zinc/31/93/53/525319353.db2.gz BSNLIUOSFZJKKE-OAQYLSRUSA-N 0 0 425.828 3.691 50 0 IHAARN Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 ZINC000035424675 525325591 /nfs/dbraw/zinc/32/55/91/525325591.db2.gz IELBKFSMICZSQY-UHFFFAOYSA-N 0 0 425.448 3.784 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012552038 525333504 /nfs/dbraw/zinc/33/35/04/525333504.db2.gz RKPXEYXNZYNUQF-MRXNPFEDSA-N 0 0 438.505 3.750 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1 ZINC000012521278 525334028 /nfs/dbraw/zinc/33/40/28/525334028.db2.gz VLWSNLHDWWXUCK-FZKQIMNGSA-N 0 0 442.459 3.804 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc(F)cc1F ZINC000012563618 525335883 /nfs/dbraw/zinc/33/58/83/525335883.db2.gz XONFYWNPCTWHTD-CYBMUJFWSA-N 0 0 433.480 3.937 50 0 IHAARN COc1ccc([C@H](CC(=O)NCc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc1 ZINC000020560642 525344775 /nfs/dbraw/zinc/34/47/75/525344775.db2.gz JGKMTHXTZBSFAT-QFIPXVFZSA-N 0 0 444.487 3.828 50 0 IHAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000012889605 525345151 /nfs/dbraw/zinc/34/51/51/525345151.db2.gz KEZZOYGAELCADU-XLIONFOSSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c(C)c1 ZINC000012753736 525397028 /nfs/dbraw/zinc/39/70/28/525397028.db2.gz MVRFPSZXLMPBLC-UHFFFAOYSA-N 0 0 428.554 3.734 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)ccc1F ZINC000021153764 525408730 /nfs/dbraw/zinc/40/87/30/525408730.db2.gz NXUCYBHURCSQPW-QHCPKHFHSA-N 0 0 427.545 3.551 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062241 525422203 /nfs/dbraw/zinc/42/22/03/525422203.db2.gz RIMBRDDMPHFJAE-NHCUHLMSSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059810 525422574 /nfs/dbraw/zinc/42/25/74/525422574.db2.gz NNELAFXLGBSAON-RPWUZVMVSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)nc2ccccc12 ZINC000012554009 525433630 /nfs/dbraw/zinc/43/36/30/525433630.db2.gz RGUGPAWQAKCZOU-IBGZPJMESA-N 0 0 427.595 3.887 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000012788047 525435274 /nfs/dbraw/zinc/43/52/74/525435274.db2.gz UJKJFZTUASPGOV-UHFFFAOYSA-N 0 0 425.554 3.746 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc(C)n2)cc1 ZINC000012225153 525472132 /nfs/dbraw/zinc/47/21/32/525472132.db2.gz KXEKHRZQBKNVAX-UHFFFAOYSA-N 0 0 442.516 3.536 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012797788 525512322 /nfs/dbraw/zinc/51/23/22/525512322.db2.gz NKWCZOAOLLQLPN-HDICACEKSA-N 0 0 442.581 3.955 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NC[C@H](C(C)C)N3CCOCC3)c2oc1-c1ccccc1 ZINC000012999833 525521629 /nfs/dbraw/zinc/52/16/29/525521629.db2.gz QPMAPMDEZSLEIM-JOCHJYFZSA-N 0 0 434.536 3.855 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c(C)c1 ZINC000012892933 525544573 /nfs/dbraw/zinc/54/45/73/525544573.db2.gz WKRHOEDQMAZHTR-UHFFFAOYSA-N 0 0 446.960 3.513 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000012796350 525548587 /nfs/dbraw/zinc/54/85/87/525548587.db2.gz WTYUQJDLYJQNTR-UHFFFAOYSA-N 0 0 443.352 3.504 50 0 IHAARN Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)cnn1-c1ccc(Br)cc1 ZINC000012856563 525556454 /nfs/dbraw/zinc/55/64/54/525556454.db2.gz LWSOGJDBXQNRPQ-KRWDZBQOSA-N 0 0 442.313 3.855 50 0 IHAARN Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cnn1-c1ccc(Br)cc1 ZINC000012856554 525557072 /nfs/dbraw/zinc/55/70/72/525557072.db2.gz LWSOGJDBXQNRPQ-QGZVFWFLSA-N 0 0 442.313 3.855 50 0 IHAARN CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035877036 525590991 /nfs/dbraw/zinc/59/09/91/525590991.db2.gz MKQCTEQDNIYCNA-FCHUYYIVSA-N 0 0 425.598 3.701 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1c(C)cccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535225 525604498 /nfs/dbraw/zinc/60/44/98/525604498.db2.gz GREMHTRYPURDIC-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN Cc1ccn2cc(-c3ccc(NC(=O)CCc4c(C)nc5ncnn5c4C)cc3)nc2c1 ZINC000012547396 525613809 /nfs/dbraw/zinc/61/38/09/525613809.db2.gz UHJBQRPULLTUCJ-UHFFFAOYSA-N 0 0 425.496 3.936 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1)OCC(=O)N2 ZINC000020491704 525613947 /nfs/dbraw/zinc/61/39/47/525613947.db2.gz CIAAMYSSESTBHV-UHFFFAOYSA-N 0 0 436.533 3.760 50 0 IHAARN COc1ccc2cc(C(=O)NCCc3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000036394055 525622551 /nfs/dbraw/zinc/62/25/51/525622551.db2.gz UFIFVJFBBTUUOI-UHFFFAOYSA-N 0 0 433.302 3.929 50 0 IHAARN COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@@H](C)N(c4ccccc4)C3=O)ccc2c1 ZINC000021932409 525626658 /nfs/dbraw/zinc/62/66/58/525626658.db2.gz RFEYDVMYEAXQDB-QGZVFWFLSA-N 0 0 431.492 3.664 50 0 IHAARN Cc1c(C(=O)NCc2cccc(C)c2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000012195364 525628368 /nfs/dbraw/zinc/62/83/68/525628368.db2.gz KEFQGWHZTLNXLO-UHFFFAOYSA-N 0 0 437.569 3.663 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccn1)C3=O ZINC000021856224 525644302 /nfs/dbraw/zinc/64/43/02/525644302.db2.gz MGJXLMQMUDWUGO-AREMUKBSSA-N 0 0 446.551 3.909 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)Nc3cccc(Cl)c3N3CCOCC3)c(C)n2n1 ZINC000021901894 525670077 /nfs/dbraw/zinc/67/00/77/525670077.db2.gz KXELDFAZFDZJKT-UHFFFAOYSA-N 0 0 427.936 3.716 50 0 IHAARN COc1ccc2sc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)nc2c1 ZINC000022998364 525696287 /nfs/dbraw/zinc/69/62/87/525696287.db2.gz DOSWMXDDCRUJES-FNORWQNLSA-N 0 0 429.567 3.745 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2F)c(C)n3C)c1 ZINC000035448497 525711418 /nfs/dbraw/zinc/71/14/18/525711418.db2.gz COUKNCLYSLCGGT-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3C)n2)cc1NC(=O)C(C)C ZINC000016625221 525746027 /nfs/dbraw/zinc/74/60/27/525746027.db2.gz BTXRTLNVVTUUCY-UHFFFAOYSA-N 0 0 436.487 3.899 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000020893875 525787936 /nfs/dbraw/zinc/78/79/36/525787936.db2.gz FXNPOAHWFXPRCV-INIZCTEOSA-N 0 0 435.549 3.764 50 0 IHAARN Cc1ccc(-c2csc3ncn(Cc4cccc(S(=O)(=O)N(C)C)c4)c(=O)c23)s1 ZINC000012579176 525788338 /nfs/dbraw/zinc/78/83/38/525788338.db2.gz UVYWCQALSQKLLK-UHFFFAOYSA-N 0 0 445.591 3.794 50 0 IHAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)n23)cc1 ZINC000020768198 525788457 /nfs/dbraw/zinc/78/84/57/525788457.db2.gz YRWNGEYVZQDQJS-UHFFFAOYSA-N 0 0 448.523 3.833 50 0 IHAARN COc1cccc(C(=O)NCCNc2nc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000036027665 525819074 /nfs/dbraw/zinc/81/90/74/525819074.db2.gz QFZDUUXXXHNZRZ-UHFFFAOYSA-N 0 0 442.523 3.852 50 0 IHAARN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(C)cc2)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000011917538 525833251 /nfs/dbraw/zinc/83/32/51/525833251.db2.gz XONWNTYPRZQFSC-QGZVFWFLSA-N 0 0 430.551 3.849 50 0 IHAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(=O)C(C)C)C1CC1 ZINC000035808083 525842070 /nfs/dbraw/zinc/84/20/70/525842070.db2.gz FHPHOKYAZJJDEN-UHFFFAOYSA-N 0 0 428.554 3.961 50 0 IHAARN C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022287053 525882588 /nfs/dbraw/zinc/88/25/88/525882588.db2.gz ARNOOCLHKXLISU-SFHVURJKSA-N 0 0 437.565 3.505 50 0 IHAARN Cc1ccc(-c2noc3c2ncn(CCC(=O)NCc2ccc(F)cc2Cl)c3=O)cc1 ZINC000021728307 525886960 /nfs/dbraw/zinc/88/69/60/525886960.db2.gz NLKMXQBTHRZCSO-UHFFFAOYSA-N 0 0 440.862 3.859 50 0 IHAARN C[C@@H](OC(=O)CNS(=O)(=O)C=Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035681465 525889294 /nfs/dbraw/zinc/88/92/94/525889294.db2.gz KCOQPQOQOJZKSF-NHRMXYMRSA-N 0 0 429.538 3.689 50 0 IHAARN Cc1ccc(-n2c(SCc3nn4c(nc(C)cc4=O)s3)nc3ccccc3c2=O)cc1 ZINC000020961541 525901347 /nfs/dbraw/zinc/90/13/47/525901347.db2.gz KTLKGIKCSLDLBH-UHFFFAOYSA-N 0 0 447.545 3.759 50 0 IHAARN Cc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2ccncc2)cc1C ZINC000021730552 525933981 /nfs/dbraw/zinc/93/39/81/525933981.db2.gz UMVQLVMFAFTBIZ-UHFFFAOYSA-N 0 0 427.464 3.605 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NC[C@H](C)c1ccccc1)nc2C 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Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000012690086 526169841 /nfs/dbraw/zinc/16/98/41/526169841.db2.gz CWWZCFUQCJTBPQ-UHFFFAOYSA-N 0 0 447.329 3.605 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 ZINC000013121145 526174284 /nfs/dbraw/zinc/17/42/84/526174284.db2.gz ILRYDJZHNQKKBG-HSZRJFAPSA-N 0 0 444.487 3.860 50 0 IHAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012923378 526181911 /nfs/dbraw/zinc/18/19/11/526181911.db2.gz CBCJIHARBCVYJJ-JKSUJKDBSA-N 0 0 436.581 3.628 50 0 IHAARN CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(Cl)ccc3OC)ccc21 ZINC000011613037 534913412 /nfs/dbraw/zinc/91/34/12/534913412.db2.gz OQZIFONVPCBXGN-UHFFFAOYSA-N 0 0 429.948 3.809 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)NCc4ccccc4F)CC3)nc2)cc1 ZINC000023320304 526221166 /nfs/dbraw/zinc/22/11/66/526221166.db2.gz VOOUHKKMXRUZAF-UHFFFAOYSA-N 0 0 447.514 3.813 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000020970499 526224425 /nfs/dbraw/zinc/22/44/25/526224425.db2.gz BIEBUDGWBRPZNS-UHFFFAOYSA-N 0 0 430.526 3.583 50 0 IHAARN COc1cccc(OC[C@@H]2CCCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)C2)c1 ZINC000012387567 526234951 /nfs/dbraw/zinc/23/49/51/526234951.db2.gz XFQQEFTWRZGJQM-MRXNPFEDSA-N 0 0 442.466 3.544 50 0 IHAARN Cc1cc(C(=O)N2CCC(Oc3ccc(C(=O)NCCc4ccccc4)cc3)CC2)no1 ZINC000012756212 526239601 /nfs/dbraw/zinc/23/96/01/526239601.db2.gz LYRKCTDDDVHAEO-UHFFFAOYSA-N 0 0 433.508 3.639 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 ZINC000012785716 526247322 /nfs/dbraw/zinc/24/73/22/526247322.db2.gz PTQHEJYQTGHNSY-LJQANCHMSA-N 0 0 449.551 3.942 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1 ZINC000012633150 526247409 /nfs/dbraw/zinc/24/74/09/526247409.db2.gz GZPPBTOSCPSBLF-NDENLUEZSA-N 0 0 439.537 3.745 50 0 IHAARN Cc1ccc2nc(COc3ccc(NC(=O)COc4ccccc4C)cc3)cc(=O)n2c1 ZINC000021100579 526249981 /nfs/dbraw/zinc/24/99/81/526249981.db2.gz PYNTUQCNXFWPHP-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)cc(=O)n2c1 ZINC000021099354 526250764 /nfs/dbraw/zinc/25/07/64/526250764.db2.gz FDPMVYSAHTVCRZ-UHFFFAOYSA-N 0 0 427.486 3.538 50 0 IHAARN Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c1cnn2-c1ccccc1 ZINC000012227937 526268517 /nfs/dbraw/zinc/26/85/17/526268517.db2.gz DSLLDOJKTGSUJH-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000012599160 526293678 /nfs/dbraw/zinc/29/36/78/526293678.db2.gz UDQBJJQGQXYBFX-UHFFFAOYSA-N 0 0 429.524 3.669 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012756998 526305066 /nfs/dbraw/zinc/30/50/66/526305066.db2.gz UTUCXRDYIZURET-UHFFFAOYSA-N 0 0 434.508 3.557 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000012805882 526305361 /nfs/dbraw/zinc/30/53/61/526305361.db2.gz LLFKQUKJXJMJRY-GOSISDBHSA-N 0 0 438.553 3.846 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000012769186 526308369 /nfs/dbraw/zinc/30/83/69/526308369.db2.gz VLTWIHCTQBXHBG-KRWDZBQOSA-N 0 0 438.553 3.846 50 0 IHAARN O=C(NCCN1CCCc2ccccc21)c1cc(COc2cccc3cnccc32)on1 ZINC000012307847 526312886 /nfs/dbraw/zinc/31/28/86/526312886.db2.gz GZTPVASYCDALKY-UHFFFAOYSA-N 0 0 428.492 3.984 50 0 IHAARN Fc1ccc(-c2noc3ncnc(N(CCCN4CCOCC4)Cc4ccco4)c32)cc1 ZINC000020574505 526319601 /nfs/dbraw/zinc/31/96/01/526319601.db2.gz GRHSWYJVESFSSN-UHFFFAOYSA-N 0 0 437.475 3.746 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000022048092 526376795 /nfs/dbraw/zinc/37/67/95/526376795.db2.gz RPKPKHKQZOGLKA-UHFFFAOYSA-N 0 0 438.871 3.850 50 0 IHAARN O=C(NCC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012605181 526383522 /nfs/dbraw/zinc/38/35/22/526383522.db2.gz CTMZSZKJQSLXLL-KRWDZBQOSA-N 0 0 442.459 3.805 50 0 IHAARN O=C(CCC1CCCC1)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012298135 526402325 /nfs/dbraw/zinc/40/23/25/526402325.db2.gz SEMXARZFTNLSJO-JOCHJYFZSA-N 0 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ZINC000012709686 526553566 /nfs/dbraw/zinc/55/35/66/526553566.db2.gz QWSLTJLJFWQPHC-KRWDZBQOSA-N 0 0 436.483 3.881 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000012431366 526555137 /nfs/dbraw/zinc/55/51/37/526555137.db2.gz JZXQTHRXASXZHB-IBGZPJMESA-N 0 0 440.975 3.716 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)cc2)cs1 ZINC000012614694 526570710 /nfs/dbraw/zinc/57/07/10/526570710.db2.gz WBJJKZACHNDTQJ-UHFFFAOYSA-N 0 0 443.594 3.916 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000020614474 526578587 /nfs/dbraw/zinc/57/85/87/526578587.db2.gz FHAVZIHCTNFCTO-HSZRJFAPSA-N 0 0 429.520 3.709 50 0 IHAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=C(c2ccccc2)SCCO1 ZINC000020738249 526579344 /nfs/dbraw/zinc/57/93/44/526579344.db2.gz RKFYGOHYQOXFET-HXUWFJFHSA-N 0 0 444.984 3.962 50 0 IHAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000035431377 526593504 /nfs/dbraw/zinc/59/35/04/526593504.db2.gz MBVUMPZXJUAAQL-UHFFFAOYSA-N 0 0 441.535 3.640 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(F)c1F ZINC000015003016 526594768 /nfs/dbraw/zinc/59/47/68/526594768.db2.gz WDBGTHJCXGJRPI-UHFFFAOYSA-N 0 0 426.460 3.850 50 0 IHAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000035431374 526597083 /nfs/dbraw/zinc/59/70/83/526597083.db2.gz IBCVGDCXZFVPKI-QFIPXVFZSA-N 0 0 441.535 3.640 50 0 IHAARN O=C(c1cc(Br)c(C(=O)N2CCCC2)cc1Br)N1CCCC1 ZINC000022620430 526599885 /nfs/dbraw/zinc/59/98/85/526599885.db2.gz QQKNZXWBZSYEMA-UHFFFAOYSA-N 0 0 430.140 3.684 50 0 IHAARN O=C(CCc1ccccn1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012305590 526615579 /nfs/dbraw/zinc/61/55/79/526615579.db2.gz FBXVPCKDSXBDBT-GOSISDBHSA-N 0 0 425.960 3.754 50 0 IHAARN O=C(NC[C@H]1COc2ccccc2O1)c1cc(Br)c(Br)s1 ZINC000032995806 526626123 /nfs/dbraw/zinc/62/61/23/526626123.db2.gz RJQNRJNHSBYEOX-QMMMGPOBSA-N 0 0 433.121 3.843 50 0 IHAARN O=C(c1cc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 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/nfs/dbraw/zinc/65/54/02/527655402.db2.gz OSKAJKHYWOEPOE-LJQANCHMSA-N 0 0 437.565 3.572 50 0 IHAARN O=C(NCCCN(C(=O)c1cccs1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000022472257 527657184 /nfs/dbraw/zinc/65/71/84/527657184.db2.gz SFRIZDAKKUSCBO-UHFFFAOYSA-N 0 0 438.553 3.580 50 0 IHAARN Cc1nn(C)c2nc(C)c(CCC(=O)NC[C@H](c3ccccc3Cl)N(C)C)c(C)c12 ZINC000012736068 527683692 /nfs/dbraw/zinc/68/36/92/527683692.db2.gz SFZPRYZPAAEVSE-HXUWFJFHSA-N 0 0 427.980 3.899 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](CCSC)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013570725 535533125 /nfs/dbraw/zinc/53/31/25/535533125.db2.gz WFCVNUXWKVLSNA-QGZVFWFLSA-N 0 0 442.541 3.963 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 ZINC000009153000 535748099 /nfs/dbraw/zinc/74/80/99/535748099.db2.gz AVBGJZNKCNHSCZ-KRWDZBQOSA-N 0 0 434.544 3.807 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000009406023 536116796 /nfs/dbraw/zinc/11/67/96/536116796.db2.gz NHCKWKPTVUIODF-FQEVSTJZSA-N 0 0 437.540 3.821 50 0 IHAARN COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000009406227 536596772 /nfs/dbraw/zinc/59/67/72/536596772.db2.gz AIKXGGSHQBUKJI-UHFFFAOYSA-N 0 0 441.915 3.845 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1 ZINC000008597134 537066511 /nfs/dbraw/zinc/06/65/11/537066511.db2.gz RGTSYWCQNGBGSY-WJOKGBTCSA-N 0 0 438.549 3.867 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000009056224 537067424 /nfs/dbraw/zinc/06/74/24/537067424.db2.gz ZPXSILJVBHTBAM-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)cc1 ZINC000000633812 555516079 /nfs/dbraw/zinc/51/60/79/555516079.db2.gz AUHUJMBNPIKGEY-UHFFFAOYSA-N 0 0 446.916 3.565 50 0 IHAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000639450 555517872 /nfs/dbraw/zinc/51/78/72/555517872.db2.gz CWFSVVXUDOJDOT-UHFFFAOYSA-N 0 0 437.569 3.884 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OCC)c1C ZINC000000652680 555523467 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O=C(OCC1(COC(=O)c2ccc(Cl)cc2)COCOC1)c1ccc(Cl)cc1 ZINC000000701956 555542886 /nfs/dbraw/zinc/54/28/86/555542886.db2.gz JPOXLMNFIPGHCO-UHFFFAOYSA-N 0 0 425.264 3.998 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000708972 555546090 /nfs/dbraw/zinc/54/60/90/555546090.db2.gz BKLDGNYQBPYKJS-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000000710442 555547112 /nfs/dbraw/zinc/54/71/12/555547112.db2.gz OVBWAYNHSDJTBX-MRXNPFEDSA-N 0 0 438.814 3.775 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3ncnn32)ccc1OCc1ccccc1F ZINC000000724948 555551395 /nfs/dbraw/zinc/55/13/95/555551395.db2.gz BWLHGMWRQVRFDU-OAQYLSRUSA-N 0 0 438.459 3.857 50 0 IHAARN CC1=C(C(=O)OCCC(C)C)[C@H](c2ccccc2I)NC(=O)N1C ZINC000000728609 555552337 /nfs/dbraw/zinc/55/23/37/555552337.db2.gz VRYHSLZLJIINGD-INIZCTEOSA-N 0 0 442.297 3.851 50 0 IHAARN COc1ccccc1[C@H](CCNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000779476 555554482 /nfs/dbraw/zinc/55/44/82/555554482.db2.gz SCMWEHBRSYGKHV-LJQANCHMSA-N 0 0 425.506 3.924 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000784008 555555803 /nfs/dbraw/zinc/55/58/03/555555803.db2.gz HVAUGCWZAUNDRB-UHFFFAOYSA-N 0 0 442.459 3.753 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000000789483 555556689 /nfs/dbraw/zinc/55/66/89/555556689.db2.gz DNYAVCUHLYZTGH-UHFFFAOYSA-N 0 0 437.359 3.797 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1OC ZINC000000791370 555557367 /nfs/dbraw/zinc/55/73/67/555557367.db2.gz ZLLMJRVPQVSRGN-OAQYLSRUSA-N 0 0 435.484 3.622 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(C)s1 ZINC000000816154 555562871 /nfs/dbraw/zinc/56/28/71/555562871.db2.gz MQWANLASEIDCQK-UHFFFAOYSA-N 0 0 443.521 3.787 50 0 IHAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000000836677 555567350 /nfs/dbraw/zinc/56/73/50/555567350.db2.gz DRCZNVQJVYSUGH-CQSZACIVSA-N 0 0 449.747 3.651 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000000845566 555569348 /nfs/dbraw/zinc/56/93/48/555569348.db2.gz WZUJQHSSOFNAQW-FQEVSTJZSA-N 0 0 427.526 3.534 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000000878975 555576775 /nfs/dbraw/zinc/57/67/75/555576775.db2.gz PLDVPIOLOATXPG-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000884645 555578658 /nfs/dbraw/zinc/57/86/58/555578658.db2.gz LJZWKJKPIRDSJM-WMZOPIPTSA-N 0 0 432.450 3.824 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OC ZINC000000936918 555586009 /nfs/dbraw/zinc/58/60/09/555586009.db2.gz PFAOYNHHIBDXGI-OAQYLSRUSA-N 0 0 434.500 3.625 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000000970024 555591132 /nfs/dbraw/zinc/59/11/32/555591132.db2.gz HZTUXAWNRIIQFS-ZDUSSCGKSA-N 0 0 438.347 3.660 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000971918 555591808 /nfs/dbraw/zinc/59/18/08/555591808.db2.gz DOFFCYHEAFVVJQ-OAHLLOKOSA-N 0 0 429.428 3.924 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl ZINC000000983566 555594299 /nfs/dbraw/zinc/59/42/99/555594299.db2.gz BLNOFSNZSHLINR-UHFFFAOYSA-N 0 0 444.940 3.514 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1C ZINC000000993221 555597517 /nfs/dbraw/zinc/59/75/17/555597517.db2.gz IFZIJJMOUXBNKW-INIZCTEOSA-N 0 0 430.298 3.845 50 0 IHAARN CC(C)(C)NC(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000001035909 555608022 /nfs/dbraw/zinc/60/80/22/555608022.db2.gz ZGHWZLTTXDTGIO-HNNXBMFYSA-N 0 0 434.562 3.885 50 0 IHAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000001050685 555612960 /nfs/dbraw/zinc/61/29/60/555612960.db2.gz YKWKKEMSLJEJCK-SFHVURJKSA-N 0 0 430.570 3.862 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001053883 555614362 /nfs/dbraw/zinc/61/43/62/555614362.db2.gz MLPKUNNYQXKLQV-UHFFFAOYSA-N 0 0 428.432 3.507 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000001062613 555617056 /nfs/dbraw/zinc/61/70/56/555617056.db2.gz ZNVYXIMWESEJEK-UHFFFAOYSA-N 0 0 428.489 3.602 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)=O)cc3)C(C)C)n2)cc1OC ZINC000001064493 555617580 /nfs/dbraw/zinc/61/75/80/555617580.db2.gz FLDXMPBOQKSGES-UHFFFAOYSA-N 0 0 439.468 3.730 50 0 IHAARN Cn1c2nc(NC3CCCCC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000001068770 555619992 /nfs/dbraw/zinc/61/99/92/555619992.db2.gz NHGOSYBQFIDVTB-UHFFFAOYSA-N 0 0 436.343 3.533 50 0 biogenic IHAARN CCc1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000001110653 555631430 /nfs/dbraw/zinc/63/14/30/555631430.db2.gz YUOSETBYVIIWSX-UHFFFAOYSA-N 0 0 425.348 3.725 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)cc1C ZINC000001115118 555634066 /nfs/dbraw/zinc/63/40/66/555634066.db2.gz WPTJWXVCAPTQKG-CQSZACIVSA-N 0 0 434.277 3.900 50 0 IHAARN COc1ccc(CNC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)cc1OC ZINC000001118626 555636072 /nfs/dbraw/zinc/63/60/72/555636072.db2.gz JLRMSZXPIBRQMW-UHFFFAOYSA-N 0 0 446.503 3.612 50 0 IHAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccccc1F ZINC000001119446 555636699 /nfs/dbraw/zinc/63/66/99/555636699.db2.gz HGTWDOZWXZQNTB-UHFFFAOYSA-N 0 0 431.514 3.986 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000001122741 555638801 /nfs/dbraw/zinc/63/88/01/555638801.db2.gz XVXQZOCGWOXFAR-UHFFFAOYSA-N 0 0 434.477 3.665 50 0 IHAARN CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001128048 555642564 /nfs/dbraw/zinc/64/25/64/555642564.db2.gz QZHPFJDSLSNKLY-UHFFFAOYSA-N 0 0 442.512 3.736 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2cccc(F)c2)N2NC(SCc3ccccc3Cl)=NC2=N1 ZINC000001128848 555643134 /nfs/dbraw/zinc/64/31/34/555643134.db2.gz JUOBFYPUWUBASU-KRWDZBQOSA-N 0 0 429.908 3.759 50 0 IHAARN COc1cccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001132099 555645064 /nfs/dbraw/zinc/64/50/64/555645064.db2.gz HYLRACUWFPYJRL-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000001135324 555646787 /nfs/dbraw/zinc/64/67/87/555646787.db2.gz MWCKNCDDJJYHOC-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001145282 555653003 /nfs/dbraw/zinc/65/30/03/555653003.db2.gz ZPNRAHWYENPKTB-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)cc1F ZINC000001145505 555653018 /nfs/dbraw/zinc/65/30/18/555653018.db2.gz JAFYZTGHSHTZTR-UHFFFAOYSA-N 0 0 446.475 3.503 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCC2 ZINC000001148571 555654900 /nfs/dbraw/zinc/65/49/00/555654900.db2.gz YFEJMTHMWGDAFM-UHFFFAOYSA-N 0 0 426.494 3.709 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001157290 555659559 /nfs/dbraw/zinc/65/95/59/555659559.db2.gz HYGGSEZBYXZMEK-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000001159920 555661110 /nfs/dbraw/zinc/66/11/10/555661110.db2.gz KITAAHNSAHPHCQ-SFHVURJKSA-N 0 0 431.286 3.829 50 0 IHAARN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001162285 555662386 /nfs/dbraw/zinc/66/23/86/555662386.db2.gz POYUURKSEGRBRI-UHFFFAOYSA-N 0 0 446.569 3.974 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccccc2)cc1 ZINC000001163147 555662963 /nfs/dbraw/zinc/66/29/63/555662963.db2.gz WQTJIPSQISRGMZ-UHFFFAOYSA-N 0 0 430.570 3.725 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000001173255 555668113 /nfs/dbraw/zinc/66/81/13/555668113.db2.gz CKHVAZBCJLVHHY-UHFFFAOYSA-N 0 0 437.315 3.761 50 0 IHAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001176445 555670036 /nfs/dbraw/zinc/67/00/36/555670036.db2.gz QNVJEYMUDVBBPY-OAQYLSRUSA-N 0 0 447.874 3.973 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000001191879 555675741 /nfs/dbraw/zinc/67/57/41/555675741.db2.gz ULOXEONHUKPZND-GOSISDBHSA-N 0 0 447.944 3.797 50 0 IHAARN CCOCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCOCC ZINC000002053595 555729474 /nfs/dbraw/zinc/72/94/74/555729474.db2.gz MLMKGXHQCGKGLY-MXXWWZHRSA-N 0 0 438.520 3.669 50 0 IHAARN COCCNC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000002082136 555738398 /nfs/dbraw/zinc/73/83/98/555738398.db2.gz RNRNPVFICVHCDP-UHFFFAOYSA-N 0 0 443.223 3.554 50 0 IHAARN O=S(=O)(c1cccc(F)c1)N1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890422 555744706 /nfs/dbraw/zinc/74/47/06/555744706.db2.gz HGOPRPKZXLAZSK-SFHVURJKSA-N 0 0 431.464 3.973 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890427 555744736 /nfs/dbraw/zinc/74/47/36/555744736.db2.gz CWLLCHXZIXGIGR-GOSISDBHSA-N 0 0 431.464 3.973 50 0 IHAARN CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)nc(SCC(C)=O)c23)C1 ZINC000002180939 555753821 /nfs/dbraw/zinc/75/38/21/555753821.db2.gz HWWDZGBMPAWJIG-UHFFFAOYSA-N 0 0 439.584 3.568 50 0 IHAARN CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C)cc3)N12 ZINC000002181278 555754024 /nfs/dbraw/zinc/75/40/24/555754024.db2.gz NIFUNNWDNTYYMG-FQEVSTJZSA-N 0 0 432.480 3.552 50 0 IHAARN Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)n(Cc4ccccc4)c3nc12 ZINC000002197386 555757127 /nfs/dbraw/zinc/75/71/27/555757127.db2.gz BWLXHZSWEHQJAQ-UHFFFAOYSA-N 0 0 436.515 3.978 50 0 IHAARN O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2c(Br)cccc12 ZINC000002234552 555760517 /nfs/dbraw/zinc/76/05/17/555760517.db2.gz ZROVWOATAZQLQW-UHFFFAOYSA-N 0 0 441.310 3.899 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000002248473 555762165 /nfs/dbraw/zinc/76/21/65/555762165.db2.gz XCUFSBYWVHMMML-UHFFFAOYSA-N 0 0 428.539 3.670 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000002387764 555774943 /nfs/dbraw/zinc/77/49/43/555774943.db2.gz TVRFTEPTKZSCNT-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCCn1ccnc1 ZINC000002489008 555783970 /nfs/dbraw/zinc/78/39/70/555783970.db2.gz KLPUBLDDUQZNOK-UHFFFAOYSA-N 0 0 439.438 3.797 50 0 IHAARN O=C(NCCSc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002503581 555784809 /nfs/dbraw/zinc/78/48/09/555784809.db2.gz QUYVBKHCPNRKJV-QFIPXVFZSA-N 0 0 440.590 3.901 50 0 IHAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccncc4)CC3)n2)cc1Cl ZINC000034678309 555797117 /nfs/dbraw/zinc/79/71/17/555797117.db2.gz JNKAZSXNKOJYSI-UHFFFAOYSA-N 0 0 425.920 3.602 50 0 IHAARN Cc1ccc(Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccccc2)cc1 ZINC000034692862 555805336 /nfs/dbraw/zinc/80/53/36/555805336.db2.gz PADLSRGEXHYJGY-UHFFFAOYSA-N 0 0 436.515 3.948 50 0 IHAARN COc1ccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2cccc(F)c2)cc1 ZINC000034692987 555805748 /nfs/dbraw/zinc/80/57/48/555805748.db2.gz QFFLIUCVVZCJDJ-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2cccc(Cl)c2)c1=O ZINC000034693981 555808960 /nfs/dbraw/zinc/80/89/60/555808960.db2.gz NSVFGBFWQZCXEI-UHFFFAOYSA-N 0 0 444.869 3.985 50 0 IHAARN CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I ZINC000002757963 555811773 /nfs/dbraw/zinc/81/17/73/555811773.db2.gz VVNRVVBIBBZNGU-MRXNPFEDSA-N 0 0 442.297 3.995 50 0 IHAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)C(C)C)[C@@H](C)C4)n23)c1 ZINC000034707032 555821820 /nfs/dbraw/zinc/82/18/20/555821820.db2.gz IHXRGVRDEYTPOQ-SFHVURJKSA-N 0 0 428.540 3.946 50 0 IHAARN CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 ZINC000002813413 555828211 /nfs/dbraw/zinc/82/82/11/555828211.db2.gz SHYFDQWHXCSOMS-YVLHZVERSA-N 0 0 445.313 3.865 50 0 IHAARN Cc1ccccc1-c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 ZINC000002818880 555829408 /nfs/dbraw/zinc/82/94/08/555829408.db2.gz XVPSBQRVFHWNRB-UHFFFAOYSA-N 0 0 431.517 3.788 50 0 IHAARN O=C(Nc1ccc(I)cc1C(=O)N1CCCC1)c1ccc(F)cc1 ZINC000002825708 555831002 /nfs/dbraw/zinc/83/10/02/555831002.db2.gz KGFCMVBXOVMHCP-UHFFFAOYSA-N 0 0 438.240 3.919 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C(=O)OCC)c1C ZINC000002837818 555834091 /nfs/dbraw/zinc/83/40/91/555834091.db2.gz CKQLXFMPALCCMT-UHFFFAOYSA-N 0 0 437.543 3.548 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000002841980 555836111 /nfs/dbraw/zinc/83/61/11/555836111.db2.gz DMSAMAHBHAKPFZ-UHFFFAOYSA-N 0 0 428.598 3.714 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000002850898 555839280 /nfs/dbraw/zinc/83/92/80/555839280.db2.gz UGRXGYRRHAHACN-OAHLLOKOSA-N 0 0 427.353 3.711 50 0 IHAARN O=S(=O)(c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000002855541 555841405 /nfs/dbraw/zinc/84/14/05/555841405.db2.gz FREIXZZYEQAZFW-UHFFFAOYSA-N 0 0 445.488 3.535 50 0 IHAARN CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000002861002 555844492 /nfs/dbraw/zinc/84/44/92/555844492.db2.gz XBEMLJPKVTUDRT-UHFFFAOYSA-N 0 0 449.989 3.982 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)C[C@@H]1C ZINC000034700471 555849368 /nfs/dbraw/zinc/84/93/68/555849368.db2.gz YFZFOLITXBSBKE-SFHVURJKSA-N 0 0 428.540 3.561 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)cc1Cl ZINC000002876673 555852523 /nfs/dbraw/zinc/85/25/23/555852523.db2.gz AMQHAGARRCFMCD-CYBMUJFWSA-N 0 0 426.897 3.527 50 0 IHAARN CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OCC ZINC000002880680 555854893 /nfs/dbraw/zinc/85/48/93/555854893.db2.gz NWGIRFPNJODIEM-UHFFFAOYSA-N 0 0 438.889 3.641 50 0 IHAARN CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002924241 555863454 /nfs/dbraw/zinc/86/34/54/555863454.db2.gz TWQUKWFNIHLVQW-KRWDZBQOSA-N 0 0 439.306 3.881 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000002938934 555864803 /nfs/dbraw/zinc/86/48/03/555864803.db2.gz ISVYXJKGCBDKBW-UHFFFAOYSA-N 0 0 447.409 3.976 50 0 IHAARN CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000002959624 555867291 /nfs/dbraw/zinc/86/72/91/555867291.db2.gz LOJLNWBGYPENDT-UHFFFAOYSA-N 0 0 425.348 3.559 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c2ccccc2)cc1 ZINC000002988674 555874540 /nfs/dbraw/zinc/87/45/40/555874540.db2.gz SBBFRDUCSLVBFK-UHFFFAOYSA-N 0 0 436.599 3.538 50 0 IHAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000071892597 555886653 /nfs/dbraw/zinc/88/66/53/555886653.db2.gz MNGJYGZNVFQZOG-DEOSSOPVSA-N 0 0 439.519 3.701 50 0 IHAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)C(C)C)[C@H](C)C2)cc1 ZINC000034829717 555911699 /nfs/dbraw/zinc/91/16/99/555911699.db2.gz XYCNPRRWCIEZGX-DVECYGJZSA-N 0 0 439.625 3.719 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829870 555911743 /nfs/dbraw/zinc/91/17/43/555911743.db2.gz VGYANSGEGOPGGT-HXOBKFHXSA-N 0 0 443.588 3.550 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCN(Cc2noc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000034904802 555919263 /nfs/dbraw/zinc/91/92/63/555919263.db2.gz PFJSMGVMYSAOAD-UHFFFAOYSA-N 0 0 448.420 3.781 50 0 IHAARN COc1cccc(C(=O)NCCNC(=O)c2csc(COc3cc(C)cc(C)c3)n2)c1 ZINC000034905401 555919726 /nfs/dbraw/zinc/91/97/26/555919726.db2.gz NOKGEQHKEWOTPL-UHFFFAOYSA-N 0 0 439.537 3.507 50 0 IHAARN CC(C)(C)NC(=O)NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1 ZINC000034906334 555920353 /nfs/dbraw/zinc/92/03/53/555920353.db2.gz XUTVGVJHGHMADF-UHFFFAOYSA-N 0 0 448.564 4.000 50 0 IHAARN Cc1ccc(-n2nc(C(=O)N3CCN(Cc4ccccc4)CC3)nc2-c2ccoc2)cc1 ZINC000034911257 555923566 /nfs/dbraw/zinc/92/35/66/555923566.db2.gz DMQWHEQBMTXZJP-UHFFFAOYSA-N 0 0 427.508 3.794 50 0 IHAARN C[C@H]1S[C@@H](c2ccc(C(C)(C)C)cc2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000034854672 555923681 /nfs/dbraw/zinc/92/36/81/555923681.db2.gz PRUHCPYILUXBCJ-HXOBKFHXSA-N 0 0 429.630 3.501 50 0 IHAARN CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(OC)cc1 ZINC000034855764 555924359 /nfs/dbraw/zinc/92/43/59/555924359.db2.gz LGAQGASBHADERR-HJPURHCSSA-N 0 0 427.545 3.519 50 0 IHAARN CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003630549 555941800 /nfs/dbraw/zinc/94/18/00/555941800.db2.gz AKUVVNKLSNUFNJ-FGZHOGPDSA-N 0 0 426.513 3.539 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670138 555945495 /nfs/dbraw/zinc/94/54/95/555945495.db2.gz BAOPTUUBTPHMIU-JOCHJYFZSA-N 0 0 427.382 3.618 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)no2)cc1OC ZINC000004176451 555973402 /nfs/dbraw/zinc/97/34/02/555973402.db2.gz VNCQZKANEWESMW-LLVKDONJSA-N 0 0 441.509 3.896 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(SCc3ccccc3F)=NC2=N1 ZINC000004574808 556001966 /nfs/dbraw/zinc/00/19/66/556001966.db2.gz HUHBLMGZKJHORG-KRWDZBQOSA-N 0 0 429.908 3.759 50 0 IHAARN O=C(NC1CCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000005055451 556030205 /nfs/dbraw/zinc/03/02/05/556030205.db2.gz CDLCNAQDNWTRTL-UHFFFAOYSA-N 0 0 429.586 3.768 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2)c(OC)cc1Cl ZINC000006461718 556090064 /nfs/dbraw/zinc/09/00/64/556090064.db2.gz PUDDYTRSHCYRHF-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN COc1ccc(Cn2nnnc2SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000010578738 556093470 /nfs/dbraw/zinc/09/34/70/556093470.db2.gz JXKDGRZQPHXFBH-NRFANRHFSA-N 0 0 448.548 3.929 50 0 IHAARN CCn1cc(CNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cn1 ZINC000006878568 556107873 /nfs/dbraw/zinc/10/78/73/556107873.db2.gz BFLSAHOOMNTVSR-UHFFFAOYSA-N 0 0 425.436 3.770 50 0 aggregator IHAARN CC(C)(C)OC(=O)N1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000006882643 556108552 /nfs/dbraw/zinc/10/85/52/556108552.db2.gz WOOVQAYAQTYFQU-UHFFFAOYSA-N 0 0 425.554 3.921 50 0 IHAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cc(C)ccc1C ZINC000002724024 556130441 /nfs/dbraw/zinc/13/04/41/556130441.db2.gz PVHYDMPLODPXBV-UHFFFAOYSA-N 0 0 442.516 3.608 50 0 IHAARN O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCc2ccccc21 ZINC000002716496 556131028 /nfs/dbraw/zinc/13/10/28/556131028.db2.gz YIHDPTRWUSGPCA-UHFFFAOYSA-N 0 0 430.479 3.992 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002775171 556140455 /nfs/dbraw/zinc/14/04/55/556140455.db2.gz UKYIXPBTCVQQET-UHFFFAOYSA-N 0 0 448.287 3.551 50 0 IHAARN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)cnn1C)CC[C@H](C(C)(C)C)C3 ZINC000002777992 556140798 /nfs/dbraw/zinc/14/07/98/556140798.db2.gz GHFOSAMJCWPPTM-NSHDSACASA-N 0 0 433.965 3.688 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1 ZINC000003031694 556157992 /nfs/dbraw/zinc/15/79/92/556157992.db2.gz SPJKPFFYPVQWBO-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015485 556158219 /nfs/dbraw/zinc/15/82/19/556158219.db2.gz IJIHIJDNMGWJSV-UHFFFAOYSA-N 0 0 433.508 3.792 50 0 IHAARN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccccc1 ZINC000008383421 556159213 /nfs/dbraw/zinc/15/92/13/556159213.db2.gz IYZMRQHMXFDXQB-STZFKDTASA-N 0 0 428.469 3.685 50 0 IHAARN O=C(CCCC(=O)NCCOc1ccccc1Cl)NCCOc1ccccc1Cl ZINC000008398807 556165079 /nfs/dbraw/zinc/16/50/79/556165079.db2.gz CNQCUOPULLWRPR-UHFFFAOYSA-N 0 0 439.339 3.854 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000008425011 556168329 /nfs/dbraw/zinc/16/83/29/556168329.db2.gz MJUWUIAGAQUSGK-FYXHJSOBSA-N 0 0 444.965 3.513 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCC(C)C ZINC000008440946 556176461 /nfs/dbraw/zinc/17/64/61/556176461.db2.gz KBVXSXCPHXDCBZ-VGSWGCGISA-N 0 0 439.556 3.864 50 0 IHAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000008442689 556177400 /nfs/dbraw/zinc/17/74/00/556177400.db2.gz FZKUOMRMOTVWDP-UHFFFAOYSA-N 0 0 439.562 3.947 50 0 aggregator IHAARN Cc1ccccc1N1C(=O)C[C@@H]([C@H]2CC(C)=C3C(=O)N(c4ccccc4C)C(=O)[C@@H]3C2)C1=O ZINC000008443399 556178021 /nfs/dbraw/zinc/17/80/21/556178021.db2.gz JQRMVDOOOSTCBW-PWSZPPJVSA-N 0 0 442.515 3.955 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1cccnc1)C1c3ccccc3C2(Br)c2ccccc21 ZINC000008449606 556180735 /nfs/dbraw/zinc/18/07/35/556180735.db2.gz APYWSEPQFKBQQR-CAZKKTPXSA-N 0 0 445.316 3.980 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1C ZINC000008449891 556180952 /nfs/dbraw/zinc/18/09/52/556180952.db2.gz WUERUYXEXOPARX-PVTAMDAMSA-N 0 0 429.472 3.655 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000008449733 556181042 /nfs/dbraw/zinc/18/10/42/556181042.db2.gz QEORKYWQHKDERW-SGNKAXLRSA-N 0 0 429.472 3.655 50 0 IHAARN C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(N)=O)n1-c1ccccc1 ZINC000008456821 556186197 /nfs/dbraw/zinc/18/61/97/556186197.db2.gz COPWLTCODUORDI-GFCCVEGCSA-N 0 0 432.347 3.780 50 0 IHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1-c1ccco1 ZINC000008620081 556193302 /nfs/dbraw/zinc/19/33/02/556193302.db2.gz QUWFZBBMQRBFTG-UHFFFAOYSA-N 0 0 432.527 3.626 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCC(C)C)cc1 ZINC000008681007 556199279 /nfs/dbraw/zinc/19/92/79/556199279.db2.gz BNAKCOFGWNUYBR-NRFANRHFSA-N 0 0 439.512 3.916 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(OCCOc2ccccc2)c1 ZINC000008723181 556203705 /nfs/dbraw/zinc/20/37/05/556203705.db2.gz MFIJRDPONIGDMX-UHFFFAOYSA-N 0 0 446.503 3.869 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000008745948 556209494 /nfs/dbraw/zinc/20/94/94/556209494.db2.gz CGFFFVQGUSANCU-QFIPXVFZSA-N 0 0 445.519 3.692 50 0 IHAARN C[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008746494 556209663 /nfs/dbraw/zinc/20/96/63/556209663.db2.gz ZWGGDJUESIITRL-GFCCVEGCSA-N 0 0 445.342 3.853 50 0 IHAARN C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008746493 556209751 /nfs/dbraw/zinc/20/97/51/556209751.db2.gz ZWGGDJUESIITRL-LBPRGKRZSA-N 0 0 445.342 3.853 50 0 IHAARN CCn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1cccnc1 ZINC000008883091 556230634 /nfs/dbraw/zinc/23/06/34/556230634.db2.gz HAJUTLIJOTVWCB-UHFFFAOYSA-N 0 0 429.575 3.990 50 0 IHAARN COc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Br ZINC000009061862 556244276 /nfs/dbraw/zinc/24/42/76/556244276.db2.gz PTCAXBDJDPHBFI-UHFFFAOYSA-N 0 0 437.315 3.875 50 0 IHAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)c1 ZINC000009095623 556246720 /nfs/dbraw/zinc/24/67/20/556246720.db2.gz MBNIWDKJYWMIEC-CQSZACIVSA-N 0 0 430.530 3.595 50 0 IHAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c1 ZINC000097568056 556248248 /nfs/dbraw/zinc/24/82/48/556248248.db2.gz TUECLPSDDRFPEM-ICEKFOEVSA-N 0 0 441.535 3.706 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009197161 556255378 /nfs/dbraw/zinc/25/53/78/556255378.db2.gz XCIIBHDACBHOLU-QZTJIDSGSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)CC1=O ZINC000009198094 556256198 /nfs/dbraw/zinc/25/61/98/556256198.db2.gz VKIAGUAIWAFWLO-KRWDZBQOSA-N 0 0 449.536 3.832 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009198065 556256217 /nfs/dbraw/zinc/25/62/17/556256217.db2.gz MHLAKYIRAKNDHJ-MRXNPFEDSA-N 0 0 435.509 3.578 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009238921 556265270 /nfs/dbraw/zinc/26/52/70/556265270.db2.gz PTWQQJZRDHQBRP-WOJBJXKFSA-N 0 0 439.541 3.782 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000009260731 556268699 /nfs/dbraw/zinc/26/86/99/556268699.db2.gz BNHWHNCUHYDUKD-HNNXBMFYSA-N 0 0 440.525 3.955 50 0 IHAARN CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009272188 556271023 /nfs/dbraw/zinc/27/10/23/556271023.db2.gz MJFSNBVEFYRPBX-HOTGVXAUSA-N 0 0 435.705 3.960 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000009287916 556272536 /nfs/dbraw/zinc/27/25/36/556272536.db2.gz BLIOYRUWGJMEOB-HSZRJFAPSA-N 0 0 434.536 3.840 50 0 IHAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000009296040 556275279 /nfs/dbraw/zinc/27/52/79/556275279.db2.gz FMGYRWDWGVUNTM-UVTDQMKNSA-N 0 0 436.274 3.601 50 0 IHAARN Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000009296397 556275443 /nfs/dbraw/zinc/27/54/43/556275443.db2.gz KTLBNRDVNPTOLR-MRXNPFEDSA-N 0 0 447.557 3.590 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2ccco2)cc1 ZINC000009309156 556278255 /nfs/dbraw/zinc/27/82/55/556278255.db2.gz PCCFCWRTTGPWGD-UHFFFAOYSA-N 0 0 433.493 3.665 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCCC3)c1ccccc1 ZINC000013688772 556278339 /nfs/dbraw/zinc/27/83/39/556278339.db2.gz WVQUFCBJVQUUNM-UHFFFAOYSA-N 0 0 441.516 3.929 50 0 IHAARN COc1cccc(OC)c1OCCOCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013690892 556280463 /nfs/dbraw/zinc/28/04/63/556280463.db2.gz BAZZOCFEJVUJDX-UHFFFAOYSA-N 0 0 443.569 3.531 50 0 IHAARN COc1ccc(-c2cc3ccc(OCC(=O)Nc4cccnc4)cc3oc2=O)cc1OC ZINC000013691678 556281069 /nfs/dbraw/zinc/28/10/69/556281069.db2.gz GEXINKWDGJXDMD-UHFFFAOYSA-N 0 0 432.432 3.890 50 0 IHAARN COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3cccnc3)c2N1 ZINC000009411096 556288759 /nfs/dbraw/zinc/28/87/59/556288759.db2.gz FDISIYUGWSPMCE-AEFFLSMTSA-N 0 0 431.418 3.877 50 0 IHAARN O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013720833 556290056 /nfs/dbraw/zinc/29/00/56/556290056.db2.gz RBCHWIGPKVFJPD-UHFFFAOYSA-N 0 0 438.336 3.621 50 0 IHAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccc(F)cc2)c1 ZINC000009428334 556290910 /nfs/dbraw/zinc/29/09/10/556290910.db2.gz GHLJODWTGTTZGZ-FQEVSTJZSA-N 0 0 443.544 3.613 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccncc4)nn2c1=O)CCCC3)c1ccccc1 ZINC000013728620 556294275 /nfs/dbraw/zinc/29/42/75/556294275.db2.gz TWDFDRKFZNVLEH-UHFFFAOYSA-N 0 0 441.516 3.929 50 0 IHAARN Cc1ccc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009525806 556296118 /nfs/dbraw/zinc/29/61/18/556296118.db2.gz LNIWDNRNXSNBQE-UHFFFAOYSA-N 0 0 444.336 3.956 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000009525866 556296454 /nfs/dbraw/zinc/29/64/54/556296454.db2.gz AEGUCJPXYFENFN-LBPRGKRZSA-N 0 0 437.279 3.537 50 0 IHAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccc1I ZINC000009554042 556297992 /nfs/dbraw/zinc/29/79/92/556297992.db2.gz KSIRVZZOMFBKET-UHFFFAOYSA-N 0 0 440.350 3.864 50 0 IHAARN COc1ccc(N(CCC(=O)N[C@@H](C)C2CC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000032739432 556299707 /nfs/dbraw/zinc/29/97/07/556299707.db2.gz QKDPMNNVKSNPSM-HNNXBMFYSA-N 0 0 436.961 3.849 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)Cc1ccc(C)cc1C ZINC000032739759 556300414 /nfs/dbraw/zinc/30/04/14/556300414.db2.gz KMHBCGMTUZQBQJ-UHFFFAOYSA-N 0 0 428.602 3.945 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSC(=S)N1CCCC1 ZINC000032740777 556301886 /nfs/dbraw/zinc/30/18/86/556301886.db2.gz QTPPJKQSVNGCEH-UHFFFAOYSA-N 0 0 433.521 3.606 50 0 IHAARN COc1cc(CNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)ccc1OC(F)F ZINC000032740905 556302215 /nfs/dbraw/zinc/30/22/15/556302215.db2.gz VZMHAKFLRRKNKZ-GOSISDBHSA-N 0 0 442.409 3.646 50 0 IHAARN O=C(NCCSc1ccc(Br)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000032744503 556304380 /nfs/dbraw/zinc/30/43/80/556304380.db2.gz BMTZIPXKRYCOEA-UHFFFAOYSA-N 0 0 437.359 3.803 50 0 IHAARN Cc1cccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000009663461 556304581 /nfs/dbraw/zinc/30/45/81/556304581.db2.gz HLGSTMPPZFTGGU-HXUWFJFHSA-N 0 0 428.492 3.879 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccc(C)cc1 ZINC000009830305 556310735 /nfs/dbraw/zinc/31/07/35/556310735.db2.gz JLCRJLMHLRHSHK-UHFFFAOYSA-N 0 0 446.532 3.888 50 0 IHAARN O[C@@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000032750949 556313155 /nfs/dbraw/zinc/31/31/55/556313155.db2.gz IQNVDRGEQJZQLY-DOTOQJQBSA-N 0 0 435.546 3.857 50 0 IHAARN Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000009933431 556317010 /nfs/dbraw/zinc/31/70/10/556317010.db2.gz JOLGMYNKCVRXTM-UHFFFAOYSA-N 0 0 444.531 3.791 50 0 IHAARN O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000013839605 556317498 /nfs/dbraw/zinc/31/74/98/556317498.db2.gz NKYUOQBQYKWOCJ-XUVXKRRUSA-N 0 0 446.979 3.823 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C(C)C)cc1 ZINC000009934033 556317502 /nfs/dbraw/zinc/31/75/02/556317502.db2.gz NYBJNUTVCTZWTA-HXUWFJFHSA-N 0 0 437.496 3.746 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 ZINC000009933984 556317638 /nfs/dbraw/zinc/31/76/38/556317638.db2.gz XSLKUFCBTMMURL-NRFANRHFSA-N 0 0 437.496 3.812 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1 ZINC000032759204 556318802 /nfs/dbraw/zinc/31/88/02/556318802.db2.gz BPBAJTMLKNKWSR-UHFFFAOYSA-N 0 0 442.562 3.935 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3ccccc3OC)no2)cc1 ZINC000032759410 556319542 /nfs/dbraw/zinc/31/95/42/556319542.db2.gz CSARLEWXBSYPAE-INIZCTEOSA-N 0 0 444.557 3.627 50 0 IHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000032753513 556322930 /nfs/dbraw/zinc/32/29/30/556322930.db2.gz FJVMMTWOPTWQGN-UHFFFAOYSA-N 0 0 437.406 3.546 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1cc(F)cc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000032753611 556322940 /nfs/dbraw/zinc/32/29/40/556322940.db2.gz DOERRGLATTVCFS-HXUWFJFHSA-N 0 0 431.414 3.941 50 0 IHAARN CCn1c(SCC(=O)Nc2nncs2)nnc1[C@H](C)Oc1ccc(F)cc1Cl ZINC000013875717 556325087 /nfs/dbraw/zinc/32/50/87/556325087.db2.gz ZYHDUSJXJLDWJX-VIFPVBQESA-N 0 0 442.929 3.813 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)c(Br)c1 ZINC000032771234 556335184 /nfs/dbraw/zinc/33/51/84/556335184.db2.gz DUZHVJUFYIFUFM-UHFFFAOYSA-N 0 0 448.285 3.725 50 0 IHAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)CC1=O ZINC000010461821 556335516 /nfs/dbraw/zinc/33/55/16/556335516.db2.gz QUCDTOGCFKPXCA-QGZVFWFLSA-N 0 0 439.512 3.543 50 0 IHAARN NC(=O)CCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000032774583 556336693 /nfs/dbraw/zinc/33/66/93/556336693.db2.gz HGXFEDCCBASVRZ-QFIPXVFZSA-N 0 0 443.569 3.805 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCc3ccco3)c2C)cc1 ZINC000011024156 556339138 /nfs/dbraw/zinc/33/91/38/556339138.db2.gz MGFPGIPVLHDUPK-UHFFFAOYSA-N 0 0 448.566 3.508 50 0 IHAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 ZINC000013944268 556341352 /nfs/dbraw/zinc/34/13/52/556341352.db2.gz QENUBEAULAWPHY-ZDUSSCGKSA-N 0 0 428.901 3.973 50 0 IHAARN O=C(COc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000013944416 556341721 /nfs/dbraw/zinc/34/17/21/556341721.db2.gz BQCRAUURHKZNSU-ZDUSSCGKSA-N 0 0 428.901 3.730 50 0 IHAARN CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944951 556342404 /nfs/dbraw/zinc/34/24/04/556342404.db2.gz VHRFQQFZRLWVAY-CQSZACIVSA-N 0 0 429.521 3.531 50 0 IHAARN CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 ZINC000011667478 556346417 /nfs/dbraw/zinc/34/64/17/556346417.db2.gz UBHNJNZQDGZARI-UHFFFAOYSA-N 0 0 425.554 3.629 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032787162 556349928 /nfs/dbraw/zinc/34/99/28/556349928.db2.gz VWCANZNBNULTDG-NZQKXSOJSA-N 0 0 439.581 3.620 50 0 IHAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1(c2ccccc2)CCOCC1 ZINC000011770323 556350022 /nfs/dbraw/zinc/35/00/22/556350022.db2.gz UDTQGZSNHZKVEK-UHFFFAOYSA-N 0 0 444.535 3.939 50 0 IHAARN O=C(CCN1CCSC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000032784686 556350068 /nfs/dbraw/zinc/35/00/68/556350068.db2.gz KFOWXKUOGMYXFU-UHFFFAOYSA-N 0 0 445.535 3.757 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000032778432 556351321 /nfs/dbraw/zinc/35/13/21/556351321.db2.gz DMUVMEHUBZKKCE-KRWDZBQOSA-N 0 0 427.555 3.743 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000013987515 556352161 /nfs/dbraw/zinc/35/21/61/556352161.db2.gz YFGTXKCJCKIEDX-UHFFFAOYSA-N 0 0 431.540 3.615 50 0 IHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC(C)C)C(C)=O)cc1OC ZINC000004490164 556352493 /nfs/dbraw/zinc/35/24/93/556352493.db2.gz PZEAKXGRSBIUBL-UHFFFAOYSA-N 0 0 430.545 3.681 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000013992366 556353189 /nfs/dbraw/zinc/35/31/89/556353189.db2.gz FSAFHEGNVBXABJ-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN Cn1ccnc1[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789363 556354889 /nfs/dbraw/zinc/35/48/89/556354889.db2.gz CSMHCHZANKBBJX-XXBNENTESA-N 0 0 428.964 3.799 50 0 IHAARN Cc1c(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C ZINC000014015666 556355511 /nfs/dbraw/zinc/35/55/11/556355511.db2.gz ALZOYCVLNJCVQB-UHFFFAOYSA-N 0 0 442.504 3.803 50 0 IHAARN COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 ZINC000032796448 556361332 /nfs/dbraw/zinc/36/13/32/556361332.db2.gz XISUCGLKRSVBDG-NSHDSACASA-N 0 0 431.901 3.959 50 0 IHAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCCOCC4CC4)c23)C1 ZINC000014076430 556361810 /nfs/dbraw/zinc/36/18/10/556361810.db2.gz DLQGQKIUYMMUID-MRXNPFEDSA-N 0 0 430.618 3.877 50 0 IHAARN Cc1nc(N2CCC[C@H]2C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)nc2ccccc12 ZINC000011841485 556365112 /nfs/dbraw/zinc/36/51/12/556365112.db2.gz CJIDCAXVMAMRCN-DQEYMECFSA-N 0 0 444.579 3.749 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000014095404 556367248 /nfs/dbraw/zinc/36/72/48/556367248.db2.gz MVYXNAJVNROJGV-IBGZPJMESA-N 0 0 443.594 3.929 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)c(F)c1 ZINC000011874360 556370756 /nfs/dbraw/zinc/37/07/56/556370756.db2.gz WAPNFBZPRCYLGQ-MRXNPFEDSA-N 0 0 444.478 3.685 50 0 IHAARN NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000014116738 556370893 /nfs/dbraw/zinc/37/08/93/556370893.db2.gz CGBDDCGPZCYWCG-LOSJGSFVSA-N 0 0 440.547 3.857 50 0 IHAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4Cc5ccccc5C[C@@H]4C(N)=O)cc3)o2)cc1 ZINC000014121232 556371847 /nfs/dbraw/zinc/37/18/47/556371847.db2.gz LIMNWBUHKVEAKO-JOCHJYFZSA-N 0 0 438.487 3.764 50 0 IHAARN O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N[C@@H]1CCCc2ccccc21 ZINC000014128533 556373574 /nfs/dbraw/zinc/37/35/74/556373574.db2.gz FBQLQAXCZRGASF-OAQYLSRUSA-N 0 0 442.519 3.528 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000014139082 556376222 /nfs/dbraw/zinc/37/62/22/556376222.db2.gz DTULLALPLRUPHC-UHFFFAOYSA-N 0 0 430.570 3.786 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1)NCc1ccccc1F ZINC000011934693 556378015 /nfs/dbraw/zinc/37/80/15/556378015.db2.gz HFZOTZYJGOGGKX-KRWDZBQOSA-N 0 0 436.483 3.881 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CSc2ccncc2)C1 ZINC000011936976 556379180 /nfs/dbraw/zinc/37/91/80/556379180.db2.gz PRMBHELMPAICBP-QHCPKHFHSA-N 0 0 428.554 3.597 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000014169088 556380811 /nfs/dbraw/zinc/38/08/11/556380811.db2.gz BNHROBFPAVZQLI-UHFFFAOYSA-N 0 0 444.572 3.764 50 0 IHAARN Cc1cc(C)n(-c2cccc(C(=O)NC[C@H]3Cc4cccc(-c5ncccn5)c4O3)c2)n1 ZINC000011975653 556383067 /nfs/dbraw/zinc/38/30/67/556383067.db2.gz RGKRLYKYPATQEX-OAQYLSRUSA-N 0 0 425.492 3.680 50 0 IHAARN COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000011995936 556384246 /nfs/dbraw/zinc/38/42/46/556384246.db2.gz GGKVVBUBRXIYGX-WIYYLYMNSA-N 0 0 443.503 3.611 50 0 IHAARN Cc1ccc(C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)s1 ZINC000011998142 556384939 /nfs/dbraw/zinc/38/49/39/556384939.db2.gz JLEKDLGMLSVIKF-KRWDZBQOSA-N 0 0 428.583 3.897 50 0 IHAARN O=c1c2c3c(sc2ncn1C[C@H](O)COc1cccc(Br)c1)CCCC3 ZINC000014185088 556385115 /nfs/dbraw/zinc/38/51/15/556385115.db2.gz AMVPSFNADFNPAB-ZDUSSCGKSA-N 0 0 435.343 3.539 50 0 IHAARN NC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000014185860 556385503 /nfs/dbraw/zinc/38/55/03/556385503.db2.gz SHNWZKZDSDKKGJ-XMMPIXPASA-N 0 0 431.517 3.812 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000014198459 556389764 /nfs/dbraw/zinc/38/97/64/556389764.db2.gz TZVOZJCQVZBZPS-UHFFFAOYSA-N 0 0 429.369 3.883 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000012038816 556390471 /nfs/dbraw/zinc/39/04/71/556390471.db2.gz XAXONPAMMSTNFE-BVZFJXPGSA-N 0 0 438.499 3.542 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000014201103 556391708 /nfs/dbraw/zinc/39/17/08/556391708.db2.gz BRJJDJAERLULHU-QHCPKHFHSA-N 0 0 440.590 3.851 50 0 IHAARN O=C(CCC1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)NCc1cccc(Cl)c1 ZINC000012058130 556394847 /nfs/dbraw/zinc/39/48/47/556394847.db2.gz AGJWVPWYQWQLDC-JOCHJYFZSA-N 0 0 426.944 3.979 50 0 IHAARN CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1 ZINC000014228667 556396035 /nfs/dbraw/zinc/39/60/35/556396035.db2.gz YPIYNPMVSNRWOV-UHFFFAOYSA-N 0 0 433.577 3.928 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1OC ZINC000014230501 556397318 /nfs/dbraw/zinc/39/73/18/556397318.db2.gz YUPBVAIADNYWSC-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCc2c3ccccc3[nH]c2C1 ZINC000012075857 556397561 /nfs/dbraw/zinc/39/75/61/556397561.db2.gz DQFXVTYCJOBPEP-UHFFFAOYSA-N 0 0 440.463 3.514 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000014231513 556397840 /nfs/dbraw/zinc/39/78/40/556397840.db2.gz YMSYZINMNPTWTR-AUSIDOKSSA-N 0 0 430.552 3.774 50 0 IHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCCC2)C1=O ZINC000014231821 556397875 /nfs/dbraw/zinc/39/78/75/556397875.db2.gz MSEPNWGKUZVWAX-UHFFFAOYSA-N 0 0 441.359 3.856 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cccn1-c1nccs1 ZINC000012078506 556398365 /nfs/dbraw/zinc/39/83/65/556398365.db2.gz AGSHLOOZLWIYQV-YJBOKZPZSA-N 0 0 428.945 3.894 50 0 IHAARN COc1ccc(CCN2C[C@H](C(=O)NCCc3ccc(C(F)(F)F)cc3)CCC2=O)cc1 ZINC000012089815 556401972 /nfs/dbraw/zinc/40/19/72/556401972.db2.gz VVEQDMDCWWACAO-LJQANCHMSA-N 0 0 448.485 3.854 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000014241966 556402397 /nfs/dbraw/zinc/40/23/97/556402397.db2.gz XZCOEHVIMBEKTO-UHFFFAOYSA-N 0 0 442.548 3.528 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000014244523 556404243 /nfs/dbraw/zinc/40/42/43/556404243.db2.gz IQJTYTKCRBOFML-HSALFYBXSA-N 0 0 426.513 3.558 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1C ZINC000012407235 556404299 /nfs/dbraw/zinc/40/42/99/556404299.db2.gz ATHCHAZVWVEPPU-BHDDXSALSA-N 0 0 437.515 3.723 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000014245338 556405169 /nfs/dbraw/zinc/40/51/69/556405169.db2.gz MGMVAMQGKFGPOT-UHFFFAOYSA-N 0 0 431.418 3.675 50 0 IHAARN COc1ccccc1Oc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 ZINC000014245612 556405521 /nfs/dbraw/zinc/40/55/21/556405521.db2.gz IXEVBFFBZWHODD-UHFFFAOYSA-N 0 0 431.448 3.520 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000014247138 556407066 /nfs/dbraw/zinc/40/70/66/556407066.db2.gz ZCYKZQGKVZXXLH-UHFFFAOYSA-N 0 0 445.928 3.739 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cn1nc(-c2ccccc2)oc1=S ZINC000014250483 556408807 /nfs/dbraw/zinc/40/88/07/556408807.db2.gz YSUONSBLFCSWOS-OAHLLOKOSA-N 0 0 437.525 3.526 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)no2)cc1 ZINC000032622778 556409965 /nfs/dbraw/zinc/40/99/65/556409965.db2.gz LHABZMVQVMBCLK-LJQANCHMSA-N 0 0 427.526 3.605 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2cccs2)c1 ZINC000032674224 556415337 /nfs/dbraw/zinc/41/53/37/556415337.db2.gz OWRLYBLSJVOMLS-UHFFFAOYSA-N 0 0 435.615 3.950 50 0 IHAARN COc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(OC)c1Br ZINC000014417115 556415515 /nfs/dbraw/zinc/41/55/15/556415515.db2.gz FTBIBEDPZCDRRZ-UHFFFAOYSA-N 0 0 430.302 3.625 50 0 IHAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000032837328 556418724 /nfs/dbraw/zinc/41/87/24/556418724.db2.gz IUYNGZXEXHHIOJ-KKSFZXQISA-N 0 0 426.538 3.835 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1NC(=O)c1ccccc1 ZINC000032838822 556419153 /nfs/dbraw/zinc/41/91/53/556419153.db2.gz LOMVMPQWHCPCMF-UHFFFAOYSA-N 0 0 425.872 3.764 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012974376 556420353 /nfs/dbraw/zinc/42/03/53/556420353.db2.gz NTIQAWFMNJAXCU-HNNXBMFYSA-N 0 0 427.482 3.947 50 0 IHAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1)N1CCCCC1 ZINC000012980486 556424211 /nfs/dbraw/zinc/42/42/11/556424211.db2.gz ZZEHUZHYVITHKI-NRFANRHFSA-N 0 0 437.565 3.625 50 0 IHAARN Cc1ccc2oc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)cc(=O)c2c1 ZINC000012980740 556424243 /nfs/dbraw/zinc/42/42/43/556424243.db2.gz VWUJYAIPXSCLFC-UHFFFAOYSA-N 0 0 443.297 3.883 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 ZINC000012982472 556425079 /nfs/dbraw/zinc/42/50/79/556425079.db2.gz OWFQHMMBCLBNDY-CQSZACIVSA-N 0 0 431.489 3.808 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000012983304 556425440 /nfs/dbraw/zinc/42/54/40/556425440.db2.gz XVYZWDYPFCUDLE-FQEVSTJZSA-N 0 0 448.585 3.888 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C ZINC000012987258 556427618 /nfs/dbraw/zinc/42/76/18/556427618.db2.gz COIJZCROACGQTF-UHFFFAOYSA-N 0 0 449.960 3.586 50 0 IHAARN C[C@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc2N1S(C)(=O)=O ZINC000012988590 556427924 /nfs/dbraw/zinc/42/79/24/556427924.db2.gz ZDTFNJZYAQWJDN-LBPRGKRZSA-N 0 0 431.514 3.912 50 0 IHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000012989623 556428212 /nfs/dbraw/zinc/42/82/12/556428212.db2.gz SLWWMSCWFBEXEK-HNNXBMFYSA-N 0 0 438.336 3.893 50 0 IHAARN COc1ccc(N(CC(F)(F)F)C(=O)CSc2nnnn2C2CCCCC2)cc1 ZINC000032850465 556431754 /nfs/dbraw/zinc/43/17/54/556431754.db2.gz YVGRWYNBZAODRD-UHFFFAOYSA-N 0 0 429.468 3.875 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC000032856182 556433645 /nfs/dbraw/zinc/43/36/45/556433645.db2.gz QZPXWRPKIRREPQ-UHFFFAOYSA-N 0 0 444.553 3.996 50 0 IHAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(OC)c(OC)cc2F)c1 ZINC000027944009 556435880 /nfs/dbraw/zinc/43/58/80/556435880.db2.gz PMROUZQMFKIGRR-UHFFFAOYSA-N 0 0 446.452 3.850 50 0 IHAARN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCC ZINC000014724869 556435949 /nfs/dbraw/zinc/43/59/49/556435949.db2.gz LLTHLXGWAJENHZ-UHFFFAOYSA-N 0 0 432.542 3.911 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(=O)n3ccsc3n1)CC2 ZINC000013014217 556436559 /nfs/dbraw/zinc/43/65/59/556436559.db2.gz FIRXGCXUJNHIHK-OAQYLSRUSA-N 0 0 439.562 3.982 50 0 IHAARN COCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)o1 ZINC000014743761 556439994 /nfs/dbraw/zinc/43/99/94/556439994.db2.gz WDGUERXPKUPBOY-JOCHJYFZSA-N 0 0 440.540 3.629 50 0 IHAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 ZINC000013030221 556442217 /nfs/dbraw/zinc/44/22/17/556442217.db2.gz SUVZBKASNOPAFS-UHFFFAOYSA-N 0 0 428.583 3.702 50 0 IHAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1Cl ZINC000013030227 556442334 /nfs/dbraw/zinc/44/23/34/556442334.db2.gz NVQOPJQXXPHXQU-UHFFFAOYSA-N 0 0 435.977 3.585 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000013038624 556444445 /nfs/dbraw/zinc/44/44/45/556444445.db2.gz UIMKBINZOBZHKB-UHFFFAOYSA-N 0 0 439.581 3.618 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000028198415 556445224 /nfs/dbraw/zinc/44/52/24/556445224.db2.gz HNHRUPKYEVPADF-HNNXBMFYSA-N 0 0 428.476 3.511 50 0 IHAARN COc1cc(OC)c(C2=CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c(OC)c1 ZINC000032860127 556446437 /nfs/dbraw/zinc/44/64/37/556446437.db2.gz GEPGSWHZCPSJLR-CQSZACIVSA-N 0 0 431.920 3.877 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000032860139 556446632 /nfs/dbraw/zinc/44/66/32/556446632.db2.gz HDKYXMMRUSNBPA-ZWKOTPCHSA-N 0 0 436.556 3.833 50 0 IHAARN O=C(COCCOc1ccccc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000072273203 556446620 /nfs/dbraw/zinc/44/66/20/556446620.db2.gz KWANDYZBEJTGKX-UHFFFAOYSA-N 0 0 431.920 3.502 50 0 IHAARN CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000028287117 556447530 /nfs/dbraw/zinc/44/75/30/556447530.db2.gz KVKTZTKURIRSHH-UHFFFAOYSA-N 0 0 443.710 3.793 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 ZINC000013042094 556448176 /nfs/dbraw/zinc/44/81/76/556448176.db2.gz RYTBLXMMGSNEBY-CALCHBBNSA-N 0 0 442.487 3.790 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000032868907 556449602 /nfs/dbraw/zinc/44/96/02/556449602.db2.gz KRGCDIWQFDAJPG-NRFANRHFSA-N 0 0 448.548 3.997 50 0 IHAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000014848224 556450076 /nfs/dbraw/zinc/45/00/76/556450076.db2.gz UJOVVPOLIVYXSB-UHFFFAOYSA-N 0 0 435.915 3.744 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(OC)c(C)c1 ZINC000032869167 556450154 /nfs/dbraw/zinc/45/01/54/556450154.db2.gz WGOMAOYVGKEKKB-OAQYLSRUSA-N 0 0 440.521 3.658 50 0 IHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000013062687 556451053 /nfs/dbraw/zinc/45/10/53/556451053.db2.gz ZSUQBWZGSIANFU-UHFFFAOYSA-N 0 0 432.527 3.922 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000014863242 556451344 /nfs/dbraw/zinc/45/13/44/556451344.db2.gz PFOXXFVCQMANAD-UHFFFAOYSA-N 0 0 428.400 3.882 50 0 IHAARN Cc1cccc2c1ncn(CCC(=O)N1CCN(Cc3ccc(C(C)C)cc3)CC1)c2=O ZINC000028322697 556452363 /nfs/dbraw/zinc/45/23/63/556452363.db2.gz RLXLVIKOSPTFQL-UHFFFAOYSA-N 0 0 432.568 3.563 50 0 IHAARN COc1ccc(OC[C@@H](O)CN(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000028403785 556453721 /nfs/dbraw/zinc/45/37/21/556453721.db2.gz CHOZKLUTVJBLLF-FQEVSTJZSA-N 0 0 437.492 3.799 50 0 IHAARN COc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)cc1OC1CCCC1 ZINC000072274640 556454320 /nfs/dbraw/zinc/45/43/20/556454320.db2.gz IQCDZMYWLBNANE-IBGZPJMESA-N 0 0 427.423 3.529 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000013074561 556454984 /nfs/dbraw/zinc/45/49/84/556454984.db2.gz IGFPUPUZRQXHHP-MRXNPFEDSA-N 0 0 435.505 3.599 50 0 IHAARN COc1ccc2cc(CNC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc2c1 ZINC000014900233 556456541 /nfs/dbraw/zinc/45/65/41/556456541.db2.gz SEXUSOLLDDWWQZ-UHFFFAOYSA-N 0 0 443.429 3.781 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c12 ZINC000032869727 556457857 /nfs/dbraw/zinc/45/78/57/556457857.db2.gz ZOXSYPOCXGBVQF-UHFFFAOYSA-N 0 0 436.811 3.810 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)c1cccs1)CC2 ZINC000072277289 556458053 /nfs/dbraw/zinc/45/80/53/556458053.db2.gz XETZNWXOCGNDMB-NRFANRHFSA-N 0 0 442.562 3.731 50 0 IHAARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000014944951 556459889 /nfs/dbraw/zinc/45/98/89/556459889.db2.gz QCRWDEYAJVFLBJ-HNVPCBRESA-N 0 0 449.551 3.760 50 0 IHAARN COc1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)cc(OC)c1Br ZINC000028737077 556460088 /nfs/dbraw/zinc/46/00/88/556460088.db2.gz ZGDRJEPYVAQNGJ-UHFFFAOYSA-N 0 0 445.317 3.529 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CSc2nc(C)cs2)CC1 ZINC000014950822 556460811 /nfs/dbraw/zinc/46/08/11/556460811.db2.gz KSBMGJRHAMSJSI-UHFFFAOYSA-N 0 0 448.610 3.967 50 0 IHAARN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000028806379 556461394 /nfs/dbraw/zinc/46/13/94/556461394.db2.gz OTNXAVJNEOKRNB-CQSZACIVSA-N 0 0 428.920 3.894 50 0 IHAARN CC(=O)N(c1nc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cs1)c1cccc(C)c1C ZINC000011035577 556462685 /nfs/dbraw/zinc/46/26/85/556462685.db2.gz GPPJRTQLQUITBF-LJQANCHMSA-N 0 0 431.525 3.891 50 0 IHAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000013109563 556462993 /nfs/dbraw/zinc/46/29/93/556462993.db2.gz WFNBZLISIQGHNP-GOSISDBHSA-N 0 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ZINC000029153019 556468909 /nfs/dbraw/zinc/46/89/09/556468909.db2.gz PCCJKEALAZYXMN-UHFFFAOYSA-N 0 0 442.472 3.678 50 0 IHAARN Cc1nnc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)n1C ZINC000013117403 556469881 /nfs/dbraw/zinc/46/98/81/556469881.db2.gz GQCJYVHHALBWEM-UHFFFAOYSA-N 0 0 444.611 3.840 50 0 IHAARN Cc1nc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)sc1-c1nccn1C(F)F ZINC000029195137 556469973 /nfs/dbraw/zinc/46/99/73/556469973.db2.gz TZXUVZWLBLXVSH-UHFFFAOYSA-N 0 0 449.527 3.981 50 0 IHAARN O=C(NCCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000029193604 556470026 /nfs/dbraw/zinc/47/00/26/556470026.db2.gz ROQQLMFPLKTWCX-OAQYLSRUSA-N 0 0 445.357 3.541 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccc2c(c1)OCCCO2 ZINC000013117929 556471047 /nfs/dbraw/zinc/47/10/47/556471047.db2.gz UHBGLXZXVWLOKD-FQEVSTJZSA-N 0 0 442.541 3.842 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)c1 ZINC000014981568 556471254 /nfs/dbraw/zinc/47/12/54/556471254.db2.gz SDPOYSZWUZEVCE-UHFFFAOYSA-N 0 0 446.569 3.832 50 0 IHAARN COc1ccc(CCNC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000029321147 556472416 /nfs/dbraw/zinc/47/24/16/556472416.db2.gz MWJUJPNETSZFPI-HNNXBMFYSA-N 0 0 426.492 3.940 50 0 IHAARN COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cn1 ZINC000029363983 556473535 /nfs/dbraw/zinc/47/35/35/556473535.db2.gz YFDNCGXVOQMXEG-UHFFFAOYSA-N 0 0 440.525 3.876 50 0 IHAARN Cc1ccc(C(=O)NCCc2nnc(SC[C@@H]3CCCO3)n2-c2ccccc2F)cc1 ZINC000014988276 556473743 /nfs/dbraw/zinc/47/37/43/556473743.db2.gz VIXFFGFELKICPS-SFHVURJKSA-N 0 0 440.544 3.958 50 0 IHAARN CN(c1ccc(OCc2nnnn2C2CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000029378554 556474036 /nfs/dbraw/zinc/47/40/36/556474036.db2.gz RDZLHOJJBKAFGL-UHFFFAOYSA-N 0 0 435.509 3.565 50 0 IHAARN CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000029449301 556475370 /nfs/dbraw/zinc/47/53/70/556475370.db2.gz GUYSFLGOKTVBOC-PMERELPUSA-N 0 0 445.928 3.508 50 0 IHAARN C[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000013127100 556475719 /nfs/dbraw/zinc/47/57/19/556475719.db2.gz UDCOWOSPXOFHQX-SFHVURJKSA-N 0 0 446.503 3.644 50 0 IHAARN COCCCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000013127023 556475722 /nfs/dbraw/zinc/47/57/22/556475722.db2.gz RXLMGEVNTZDDNP-QFIPXVFZSA-N 0 0 437.496 3.695 50 0 IHAARN COCCCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000013127025 556475754 /nfs/dbraw/zinc/47/57/54/556475754.db2.gz RXLMGEVNTZDDNP-JOCHJYFZSA-N 0 0 437.496 3.695 50 0 IHAARN CC[C@@H](COC)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000014993708 556476366 /nfs/dbraw/zinc/47/63/66/556476366.db2.gz PUITVPYFABXGKL-IBGZPJMESA-N 0 0 431.540 3.850 50 0 IHAARN CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1[C@H](CC)N(C)C ZINC000029595249 556478225 /nfs/dbraw/zinc/47/82/25/556478225.db2.gz FVADWLRHRSTPDZ-INIZCTEOSA-N 0 0 433.578 3.593 50 0 IHAARN Cc1c(C(=O)N2CCC(CO)CC2)cnn1-c1nccc(-c2ccccc2C(F)(F)F)n1 ZINC000014999922 556479474 /nfs/dbraw/zinc/47/94/74/556479474.db2.gz BHUWIUCIEHIZNI-UHFFFAOYSA-N 0 0 445.445 3.501 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000029636592 556479512 /nfs/dbraw/zinc/47/95/12/556479512.db2.gz LKDJHBFCMOXIDT-NRFANRHFSA-N 0 0 439.585 3.686 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)NC[C@H](c4ccco4)N(C)C)CC3)c2c1C ZINC000029690952 556480147 /nfs/dbraw/zinc/48/01/47/556480147.db2.gz MLOALIJVAFGSPS-QGZVFWFLSA-N 0 0 427.574 3.537 50 0 IHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000011059528 556482586 /nfs/dbraw/zinc/48/25/86/556482586.db2.gz LRZALEUBEPKZGS-UHFFFAOYSA-N 0 0 442.880 3.916 50 0 IHAARN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C ZINC000072288896 556482592 /nfs/dbraw/zinc/48/25/92/556482592.db2.gz IKYYCSWXQPEQTI-PDJHCBOPSA-N 0 0 434.584 3.958 50 0 IHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(C2CCCCC2)n1N ZINC000013134524 556482619 /nfs/dbraw/zinc/48/26/19/556482619.db2.gz HQVIERRYIQIMDM-UHFFFAOYSA-N 0 0 449.602 3.886 50 0 IHAARN COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)cc1 ZINC000011060730 556483108 /nfs/dbraw/zinc/48/31/08/556483108.db2.gz ANBMCOLHBUSQLH-UHFFFAOYSA-N 0 0 432.432 3.635 50 0 IHAARN CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1Cc1ccco1 ZINC000029804565 556483203 /nfs/dbraw/zinc/48/32/03/556483203.db2.gz MQLBSVDTZUCKTN-OAHLLOKOSA-N 0 0 442.541 3.784 50 0 IHAARN NC(=O)N[C@@H](CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Br)c1 ZINC000029830206 556483559 /nfs/dbraw/zinc/48/35/59/556483559.db2.gz YHONJQUFMFCBFL-KRWDZBQOSA-N 0 0 431.334 3.788 50 0 IHAARN COC(=O)c1cc(-c2csc(NC(=O)c3ccc(OCC(F)(F)F)nc3)n2)c[nH]1 ZINC000029872886 556484756 /nfs/dbraw/zinc/48/47/56/556484756.db2.gz JMPSUDOZKGZIGP-UHFFFAOYSA-N 0 0 426.376 3.513 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2c(C)c(C)sc2-n2cccc2)N2CCOCC2)cc1 ZINC000029901092 556486336 /nfs/dbraw/zinc/48/63/36/556486336.db2.gz WUJKYNBUHWZKCE-OAQYLSRUSA-N 0 0 439.581 3.968 50 0 IHAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000029980666 556487878 /nfs/dbraw/zinc/48/78/78/556487878.db2.gz HAZFUWWUSSDSGP-UHFFFAOYSA-N 0 0 431.496 3.891 50 0 IHAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000013146055 556488043 /nfs/dbraw/zinc/48/80/43/556488043.db2.gz YFYLUIXQHLSTKN-UHFFFAOYSA-N 0 0 443.459 3.572 50 0 IHAARN CC(C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000032871714 556489397 /nfs/dbraw/zinc/48/93/97/556489397.db2.gz GNYGGMHCPIXOQW-NRFANRHFSA-N 0 0 447.564 3.709 50 0 IHAARN O=C(N[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000032876614 556489428 /nfs/dbraw/zinc/48/94/28/556489428.db2.gz GUNLUMPQBDJJAC-QFIPXVFZSA-N 0 0 447.560 3.640 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000030063154 556490324 /nfs/dbraw/zinc/49/03/24/556490324.db2.gz DAAQBLNBCBQJPP-UHFFFAOYSA-N 0 0 434.945 3.726 50 0 IHAARN Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000030256617 556492049 /nfs/dbraw/zinc/49/20/49/556492049.db2.gz LFFXIDLZVLTKDH-UHFFFAOYSA-N 0 0 425.489 3.643 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000030255233 556492105 /nfs/dbraw/zinc/49/21/05/556492105.db2.gz DWZVSUVDIDXRLB-UHFFFAOYSA-N 0 0 428.489 3.769 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2cc(C)cs2)C1 ZINC000015065214 556492381 /nfs/dbraw/zinc/49/23/81/556492381.db2.gz RGLWBCBTPOSJTK-NRFANRHFSA-N 0 0 437.583 3.642 50 0 IHAARN CCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1OCC ZINC000030343506 556493057 /nfs/dbraw/zinc/49/30/57/556493057.db2.gz UNCCEIIQPRMBDY-LJQANCHMSA-N 0 0 437.290 3.807 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N[C@@H](c1ccco1)c1ccccc1 ZINC000015067432 556493433 /nfs/dbraw/zinc/49/34/33/556493433.db2.gz VWBLJBNISQWOKE-CLJLJLNGSA-N 0 0 446.503 3.886 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N[C@H](c1ccco1)c1ccccc1 ZINC000015067424 556493469 /nfs/dbraw/zinc/49/34/69/556493469.db2.gz VWBLJBNISQWOKE-UIOOFZCWSA-N 0 0 446.503 3.886 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)nc1 ZINC000030437136 556494387 /nfs/dbraw/zinc/49/43/87/556494387.db2.gz CZXHBXPDDHFLGO-UHFFFAOYSA-N 0 0 438.553 3.540 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)cc1 ZINC000030445046 556494499 /nfs/dbraw/zinc/49/44/99/556494499.db2.gz PVQTZEVNGMRIPX-HNNXBMFYSA-N 0 0 434.583 3.611 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCCC[C@H]1c1cccnc1 ZINC000015068796 556494584 /nfs/dbraw/zinc/49/45/84/556494584.db2.gz QZLZUWQNVPPIPT-CPJSRVTESA-N 0 0 435.524 3.536 50 0 IHAARN COCc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000015070457 556495486 /nfs/dbraw/zinc/49/54/86/556495486.db2.gz AYQZMVRBGQWHAN-OAHLLOKOSA-N 0 0 441.557 3.533 50 0 IHAARN Cc1cccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 ZINC000030527161 556497099 /nfs/dbraw/zinc/49/70/99/556497099.db2.gz JMKMSMNCAWJKPV-UHFFFAOYSA-N 0 0 433.899 4.000 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000011068770 556497234 /nfs/dbraw/zinc/49/72/34/556497234.db2.gz IVISGKLXRRGQBI-CYBMUJFWSA-N 0 0 449.338 3.628 50 0 IHAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000030581987 556498374 /nfs/dbraw/zinc/49/83/74/556498374.db2.gz NBZYCDFHIQTRSJ-FQEVSTJZSA-N 0 0 443.532 3.951 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015074402 556498382 /nfs/dbraw/zinc/49/83/82/556498382.db2.gz GFPFJMKMBQLRNC-QFIPXVFZSA-N 0 0 443.551 3.774 50 0 IHAARN O=C(CN1C(=O)CSC1=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015076188 556499132 /nfs/dbraw/zinc/49/91/32/556499132.db2.gz VAQMRNNQRCRKJV-QGZVFWFLSA-N 0 0 438.505 3.596 50 0 IHAARN CCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081577 556501319 /nfs/dbraw/zinc/50/13/19/556501319.db2.gz GTEDTVRAVMXQNV-UHFFFAOYSA-N 0 0 441.535 3.744 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000015084815 556501896 /nfs/dbraw/zinc/50/18/96/556501896.db2.gz KDUVBTBJCFVZMD-AWEZNQCLSA-N 0 0 433.468 3.557 50 0 IHAARN COCCN(C(=O)c1ccc(C)s1)[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000072292788 556502351 /nfs/dbraw/zinc/50/23/51/556502351.db2.gz XHCMLMZYJGPAAY-INIZCTEOSA-N 0 0 426.332 3.822 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccccc1Cl ZINC000013388819 556503793 /nfs/dbraw/zinc/50/37/93/556503793.db2.gz FWONLKRRGYFTSN-UHFFFAOYSA-N 0 0 433.382 3.668 50 0 IHAARN CC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000013468481 556507532 /nfs/dbraw/zinc/50/75/32/556507532.db2.gz NZSHAVJSBHJRRK-AWEZNQCLSA-N 0 0 434.732 3.895 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015199046 556510501 /nfs/dbraw/zinc/51/05/01/556510501.db2.gz ANZMTJWHFAJGFQ-IBGZPJMESA-N 0 0 434.558 3.967 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3c3nnc4ccccn43)c12 ZINC000032888491 556511434 /nfs/dbraw/zinc/51/14/34/556511434.db2.gz UVVQOFOYTPWIND-HXUWFJFHSA-N 0 0 437.507 3.964 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000032895182 556514651 /nfs/dbraw/zinc/51/46/51/556514651.db2.gz MALZJHPKIYWVJI-SFHVURJKSA-N 0 0 428.554 3.981 50 0 IHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cn3ccccc3n2)c1 ZINC000032896027 556515875 /nfs/dbraw/zinc/51/58/75/556515875.db2.gz RIEQFXZYUPQCCH-QGZVFWFLSA-N 0 0 447.516 3.831 50 0 IHAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000032891598 556519617 /nfs/dbraw/zinc/51/96/17/556519617.db2.gz NPDOBDQLBXOYQO-LJQANCHMSA-N 0 0 436.599 3.693 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1S(N)(=O)=O ZINC000032719047 556520707 /nfs/dbraw/zinc/52/07/07/556520707.db2.gz BLAVCHYBQUDZHK-UHFFFAOYSA-N 0 0 446.598 3.769 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000032719052 556521149 /nfs/dbraw/zinc/52/11/49/556521149.db2.gz VWQDSVLTVZJMMP-ZDUSSCGKSA-N 0 0 445.472 3.528 50 0 IHAARN Cc1oc(-c2cccs2)nc1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000032893562 556521304 /nfs/dbraw/zinc/52/13/04/556521304.db2.gz YVZWNWHUPKTBDC-HNNXBMFYSA-N 0 0 447.586 3.611 50 0 IHAARN COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000015412599 556525473 /nfs/dbraw/zinc/52/54/73/556525473.db2.gz OBZVUSAMDXMMRO-DEOSSOPVSA-N 0 0 432.476 3.834 50 0 IHAARN O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)NCCc1ccc(O)cc1 ZINC000013576183 556525897 /nfs/dbraw/zinc/52/58/97/556525897.db2.gz CEMUYIHPRMGZRZ-JOSACAGISA-N 0 0 442.924 3.910 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000032096416 556528476 /nfs/dbraw/zinc/52/84/76/556528476.db2.gz XHZKHBPULXHWNG-JOCHJYFZSA-N 0 0 436.508 3.595 50 0 IHAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@H](OCc2ccccc2)C1 ZINC000013596471 556531918 /nfs/dbraw/zinc/53/19/18/556531918.db2.gz WZKOMTCMYXKINS-IBGZPJMESA-N 0 0 426.948 3.871 50 0 IHAARN COc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)cs2)cc1 ZINC000015513190 556532370 /nfs/dbraw/zinc/53/23/70/556532370.db2.gz LTXMGISDUHQCGS-QFIPXVFZSA-N 0 0 437.477 3.515 50 0 IHAARN COc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc2c1OC ZINC000013608863 556533834 /nfs/dbraw/zinc/53/38/34/556533834.db2.gz FKDMFGKRHRKVPN-UHFFFAOYSA-N 0 0 438.455 3.640 50 0 IHAARN Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2CCCO)cc1 ZINC000013617471 556535907 /nfs/dbraw/zinc/53/59/07/556535907.db2.gz DOCCGNQKPBSRQX-JXMROGBWSA-N 0 0 446.288 3.862 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 ZINC000015583366 556535966 /nfs/dbraw/zinc/53/59/66/556535966.db2.gz DEQRFLXFRGITRW-UHFFFAOYSA-N 0 0 445.566 3.842 50 0 IHAARN CCOc1ccccc1-c1noc(CN(Cc2c(F)cccc2Cl)S(C)(=O)=O)n1 ZINC000013625112 556536779 /nfs/dbraw/zinc/53/67/79/556536779.db2.gz NWXPENBRXITEMR-UHFFFAOYSA-N 0 0 439.896 3.890 50 0 IHAARN C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000032901769 556537338 /nfs/dbraw/zinc/53/73/38/556537338.db2.gz IJMCXTJARXDQQV-LBPRGKRZSA-N 0 0 427.931 3.614 50 0 IHAARN CC(=O)N[C@]1(CC(=O)Nc2ccc(Br)cc2)c2ccccc2N(C(C)C)C1=O ZINC000013629678 556538850 /nfs/dbraw/zinc/53/88/50/556538850.db2.gz OTRMLQYQGLEEBR-OAQYLSRUSA-N 0 0 444.329 3.564 50 0 IHAARN CCc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccc(C)cc4)c3n(C)c2=O)cc1 ZINC000015779906 556551208 /nfs/dbraw/zinc/55/12/08/556551208.db2.gz WIWMVBYSKKERCQ-UHFFFAOYSA-N 0 0 443.551 3.547 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000032906817 556554199 /nfs/dbraw/zinc/55/41/99/556554199.db2.gz OJVUNECIMGPARD-UHFFFAOYSA-N 0 0 434.533 3.925 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831138 556554620 /nfs/dbraw/zinc/55/46/20/556554620.db2.gz YNGMKMHCGSJCLY-MRXNPFEDSA-N 0 0 445.924 3.584 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115304 556554731 /nfs/dbraw/zinc/55/47/31/556554731.db2.gz PCEDFWJTQRQANA-OAQYLSRUSA-N 0 0 442.581 3.938 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)NCCSc3ccccc3)CC2=O)cc1Cl ZINC000015833388 556555258 /nfs/dbraw/zinc/55/52/58/556555258.db2.gz GHSYERVDBZHGLI-CQSZACIVSA-N 0 0 434.945 3.619 50 0 IHAARN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)ccc1OC ZINC000032960071 556556186 /nfs/dbraw/zinc/55/61/86/556556186.db2.gz PYXAWSJWOJSFSA-GOSISDBHSA-N 0 0 438.528 3.780 50 0 IHAARN C[C@H](CNC(=O)CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O)c1ccccc1 ZINC000033250149 556556937 /nfs/dbraw/zinc/55/69/37/556556937.db2.gz GXSRTSBIGDEVAW-CQSZACIVSA-N 0 0 438.434 3.640 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1OC ZINC000013682622 556557747 /nfs/dbraw/zinc/55/77/47/556557747.db2.gz REEWDEQIZHBUPF-QGZVFWFLSA-N 0 0 437.496 3.685 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1Cl ZINC000015859655 556558182 /nfs/dbraw/zinc/55/81/82/556558182.db2.gz FHSPDNYJZIMYKU-SFHVURJKSA-N 0 0 427.888 3.799 50 0 IHAARN CCCCN1c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2S(=O)(=O)N=C1C ZINC000015867663 556559366 /nfs/dbraw/zinc/55/93/66/556559366.db2.gz FXZPLGJKSJHVNJ-UHFFFAOYSA-N 0 0 428.514 3.625 50 0 IHAARN COCCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn32)CC1 ZINC000033274949 556559462 /nfs/dbraw/zinc/55/94/62/556559462.db2.gz DFTUJNXIBRBNCK-UHFFFAOYSA-N 0 0 441.963 3.727 50 0 IHAARN CC(C)OCCN1CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072307181 556561733 /nfs/dbraw/zinc/56/17/33/556561733.db2.gz VONNRSMIUNUYTQ-UHFFFAOYSA-N 0 0 441.519 3.941 50 0 IHAARN C[C@@H](NC(=O)CSCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000032907804 556563698 /nfs/dbraw/zinc/56/36/98/556563698.db2.gz JJNVPYFHHKCXDC-QGZVFWFLSA-N 0 0 440.565 3.804 50 0 IHAARN CC(=O)Oc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OC(C)=O ZINC000033525671 556565013 /nfs/dbraw/zinc/56/50/13/556565013.db2.gz XIKFCOZCJDKWEG-CXUHLZMHSA-N 0 0 444.237 3.644 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCCN(C(=O)C(C)C)CC3)cs2)c1 ZINC000072309167 556569364 /nfs/dbraw/zinc/56/93/64/556569364.db2.gz GLHAHYQBUNKSJD-UHFFFAOYSA-N 0 0 428.602 3.631 50 0 IHAARN COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000015966579 556569701 /nfs/dbraw/zinc/56/97/01/556569701.db2.gz LBAUHWVRQRKXHI-IBGZPJMESA-N 0 0 444.597 3.899 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000015998838 556572120 /nfs/dbraw/zinc/57/21/20/556572120.db2.gz ZXOODZDVQKLXTF-CIAFKFPVSA-N 0 0 436.895 3.761 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000016006941 556573301 /nfs/dbraw/zinc/57/33/01/556573301.db2.gz KJIZYRGTUUBWIE-SECBINFHSA-N 0 0 436.317 3.936 50 0 IHAARN O=C(c1cc(Br)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016044248 556578600 /nfs/dbraw/zinc/57/86/00/556578600.db2.gz CRYYNBSFSGALNL-UHFFFAOYSA-N 0 0 437.721 3.789 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CC1 ZINC000016044795 556578953 /nfs/dbraw/zinc/57/89/53/556578953.db2.gz UKVBFUGIBIVILD-UHFFFAOYSA-N 0 0 428.554 3.930 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)[C@@H](C)c2ccccc2)cc1 ZINC000016046146 556580203 /nfs/dbraw/zinc/58/02/03/556580203.db2.gz DEHLZSKILFBRIU-SFHVURJKSA-N 0 0 442.537 3.747 50 0 IHAARN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000060240960 556580672 /nfs/dbraw/zinc/58/06/72/556580672.db2.gz CHYRKMHVADWOAX-CQSZACIVSA-N 0 0 449.935 3.579 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2cc1Cl ZINC000032910885 556581705 /nfs/dbraw/zinc/58/17/05/556581705.db2.gz FGMLWTBFETWKQZ-UHFFFAOYSA-N 0 0 425.824 3.765 50 0 IHAARN COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCc2ccc(C(N)=O)cc2)cc1OC ZINC000016116298 556584428 /nfs/dbraw/zinc/58/44/28/556584428.db2.gz CJTSGOHGAKHQKE-UHFFFAOYSA-N 0 0 440.496 3.679 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3sccc3[C@@H]2c2ccccc2)NC(=O)N[C@H]1CC ZINC000034867711 556584689 /nfs/dbraw/zinc/58/46/89/556584689.db2.gz MVCPUTXYWLBWHP-UWJYYQICSA-N 0 0 425.554 3.604 50 0 IHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000034878927 556585347 /nfs/dbraw/zinc/58/53/47/556585347.db2.gz SERADWODXPAMHI-UHFFFAOYSA-N 0 0 445.585 3.590 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032966591 556587270 /nfs/dbraw/zinc/58/72/70/556587270.db2.gz OFIBKZMTSJEUHM-GOSISDBHSA-N 0 0 432.904 3.617 50 0 IHAARN CCOC(=O)CN(CC(F)(F)F)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000060247172 556588204 /nfs/dbraw/zinc/58/82/04/556588204.db2.gz DQYPKSCIGJJFOF-UHFFFAOYSA-N 0 0 438.431 3.563 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000016188666 556588439 /nfs/dbraw/zinc/58/84/39/556588439.db2.gz SCODYZRJMLTJFY-UHFFFAOYSA-N 0 0 436.533 3.719 50 0 IHAARN CN1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2Cl)CC1 ZINC000016189131 556588528 /nfs/dbraw/zinc/58/85/28/556588528.db2.gz USWHUYBVFZWYRX-UHFFFAOYSA-N 0 0 438.753 3.872 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000016262076 556595221 /nfs/dbraw/zinc/59/52/21/556595221.db2.gz UJYYAFFCXXBHLV-HKUYNNGSSA-N 0 0 426.929 3.782 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)cc(OC)c1OC ZINC000032974318 556595577 /nfs/dbraw/zinc/59/55/77/556595577.db2.gz LNUBGRVXKIQJKJ-UHFFFAOYSA-N 0 0 440.540 3.580 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N1CCC(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000032974468 556595595 /nfs/dbraw/zinc/59/55/95/556595595.db2.gz OHUWZPDYRGZEMU-UHFFFAOYSA-N 0 0 427.476 3.563 50 0 IHAARN COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000016309368 556599179 /nfs/dbraw/zinc/59/91/79/556599179.db2.gz QOINWRJCLUTZLQ-UHFFFAOYSA-N 0 0 438.549 3.858 50 0 IHAARN CCOC(=O)[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC1CC1 ZINC000004587898 556601078 /nfs/dbraw/zinc/60/10/78/556601078.db2.gz PAEMPLDCUKHUBY-HXUWFJFHSA-N 0 0 426.557 3.823 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983331 556601881 /nfs/dbraw/zinc/60/18/81/556601881.db2.gz KQFJAVJXMDFUTG-QGZVFWFLSA-N 0 0 442.924 3.679 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000016361369 556602723 /nfs/dbraw/zinc/60/27/23/556602723.db2.gz RBTFQJDDPJNFCY-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN O=S(=O)(N[C@H](CCSc1nnnn1C1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000016375721 556603640 /nfs/dbraw/zinc/60/36/40/556603640.db2.gz XUQMOESRZRPWPY-GOSISDBHSA-N 0 0 449.989 3.863 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2ncnc3c2sc2nc(C)cc(C)c23)CC1 ZINC000032986010 556605770 /nfs/dbraw/zinc/60/57/70/556605770.db2.gz UNBQCUBUKNQBAL-UHFFFAOYSA-N 0 0 427.574 3.616 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000016400939 556605756 /nfs/dbraw/zinc/60/57/56/556605756.db2.gz PEEROKBAFPSORK-QZTJIDSGSA-N 0 0 445.585 3.625 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1Cl ZINC000016425866 556606300 /nfs/dbraw/zinc/60/63/00/556606300.db2.gz FENGIIRWKRTRNA-UHFFFAOYSA-N 0 0 433.382 3.668 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000032987081 556606923 /nfs/dbraw/zinc/60/69/23/556606923.db2.gz HGOQOZNZPWTHDS-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016447477 556607795 /nfs/dbraw/zinc/60/77/95/556607795.db2.gz YNMPAGLFIKMPQW-DEOSSOPVSA-N 0 0 439.559 3.973 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 ZINC000016448058 556608196 /nfs/dbraw/zinc/60/81/96/556608196.db2.gz ZQPWOGYWIVANKY-UHFFFAOYSA-N 0 0 444.553 3.520 50 0 IHAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016448630 556608752 /nfs/dbraw/zinc/60/87/52/556608752.db2.gz NKFACVGXCOBAGI-MRXNPFEDSA-N 0 0 441.380 3.753 50 0 IHAARN COCCN(CCOC)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000016461535 556609718 /nfs/dbraw/zinc/60/97/18/556609718.db2.gz RTFJVXGHIALUSR-UHFFFAOYSA-N 0 0 445.899 3.614 50 0 IHAARN Cc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000016636828 556618876 /nfs/dbraw/zinc/61/88/76/556618876.db2.gz AHHXQDJETKIWOL-UHFFFAOYSA-N 0 0 429.369 3.954 50 0 IHAARN CCCCSCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 ZINC000005042552 556626101 /nfs/dbraw/zinc/62/61/01/556626101.db2.gz DDACSJBAVKBUGT-UHFFFAOYSA-N 0 0 425.572 3.915 50 0 IHAARN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000033738391 556627776 /nfs/dbraw/zinc/62/77/76/556627776.db2.gz IAPCCGCKECZCOG-ZJNRKIDTSA-N 0 0 446.573 3.898 50 0 IHAARN NC(=O)C1CCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)CC1 ZINC000016694675 556628177 /nfs/dbraw/zinc/62/81/77/556628177.db2.gz MQVFELQTVYSHDD-OAQYLSRUSA-N 0 0 431.330 3.754 50 0 IHAARN CC(C)N(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)C(C)C ZINC000033731970 556628407 /nfs/dbraw/zinc/62/84/07/556628407.db2.gz MEQUIDGCRIIGAT-PFONDFGASA-N 0 0 444.553 3.901 50 0 IHAARN C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(=O)NC1CCCC1 ZINC000016718566 556630645 /nfs/dbraw/zinc/63/06/45/556630645.db2.gz SDHBMNOYZZIDOV-CYBMUJFWSA-N 0 0 435.571 3.869 50 0 IHAARN O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cnc1Cl ZINC000071818560 556634027 /nfs/dbraw/zinc/63/40/27/556634027.db2.gz KGCPYSYJSKYVSR-ZFWWWQNUSA-N 0 0 449.729 3.835 50 0 IHAARN Cc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742186 556636025 /nfs/dbraw/zinc/63/60/25/556636025.db2.gz SPSVKPQPODPZOD-NRFANRHFSA-N 0 0 429.582 3.887 50 0 IHAARN CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OCC ZINC000016751298 556637331 /nfs/dbraw/zinc/63/73/31/556637331.db2.gz YPTSKYNPNPKDSW-NRFANRHFSA-N 0 0 437.492 3.745 50 0 IHAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2cccnc2)n1 ZINC000016753862 556638656 /nfs/dbraw/zinc/63/86/56/556638656.db2.gz KZSGLKFVMISHND-UHFFFAOYSA-N 0 0 430.917 3.556 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC(=O)Nc1ccccc1 ZINC000016775150 556640367 /nfs/dbraw/zinc/64/03/67/556640367.db2.gz BLDZKARMNCQBAX-UHFFFAOYSA-N 0 0 430.493 3.770 50 0 IHAARN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 ZINC000005151512 556642820 /nfs/dbraw/zinc/64/28/20/556642820.db2.gz BCONHDFCOSPNHQ-SDUSCBPUSA-N 0 0 430.589 3.821 50 0 IHAARN CC(C)Oc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000011717097 556644099 /nfs/dbraw/zinc/64/40/99/556644099.db2.gz SGFVDCWDJYGMFV-KRWDZBQOSA-N 0 0 426.513 3.897 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)no1 ZINC000016828938 556645234 /nfs/dbraw/zinc/64/52/34/556645234.db2.gz NVJQWNOZBPGNDS-HNNXBMFYSA-N 0 0 447.447 3.584 50 0 IHAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000016842493 556646376 /nfs/dbraw/zinc/64/63/76/556646376.db2.gz OBXBZRCFTHOVJT-OAQYLSRUSA-N 0 0 435.446 3.961 50 0 IHAARN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000016956712 556650359 /nfs/dbraw/zinc/65/03/59/556650359.db2.gz IIWDOUYSHMKYQW-CVDCTZTESA-N 0 0 438.915 3.516 50 0 IHAARN COc1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000016973850 556651694 /nfs/dbraw/zinc/65/16/94/556651694.db2.gz AQMSJYNOPPGMEX-SFHVURJKSA-N 0 0 444.491 3.579 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)Cc1ccccc1 ZINC000011757894 556651760 /nfs/dbraw/zinc/65/17/60/556651760.db2.gz QXMNQPWGHRHZBE-UHFFFAOYSA-N 0 0 433.489 3.805 50 0 IHAARN COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCCCOC(C)C)s3)c2C)cc1 ZINC000038654987 556653864 /nfs/dbraw/zinc/65/38/64/556653864.db2.gz UMGWOVVVVPBLDL-UHFFFAOYSA-N 0 0 429.546 3.561 50 0 IHAARN COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)(C)C ZINC000017062302 556654651 /nfs/dbraw/zinc/65/46/51/556654651.db2.gz NROYSSHTTFRGDV-UHFFFAOYSA-N 0 0 434.602 3.718 50 0 IHAARN CCc1c(C)sc2nc(SCC(=O)NC(C)(C)CC)n(C[C@H]3CCCO3)c(=O)c12 ZINC000011772213 556655077 /nfs/dbraw/zinc/65/50/77/556655077.db2.gz HHYROZULARYDJA-CQSZACIVSA-N 0 0 437.631 3.905 50 0 IHAARN COc1cccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000011826107 556658901 /nfs/dbraw/zinc/65/89/01/556658901.db2.gz MNMQZOIITDWKQX-JOCHJYFZSA-N 0 0 446.544 3.599 50 0 IHAARN COc1ccc(C(=O)CCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1 ZINC000011838694 556659956 /nfs/dbraw/zinc/65/99/56/556659956.db2.gz QMPCQMCJSBMWEC-FQEVSTJZSA-N 0 0 434.467 3.979 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)C(C)C)o1 ZINC000004594046 556660774 /nfs/dbraw/zinc/66/07/74/556660774.db2.gz INLSEYQEQXBBEW-JOCHJYFZSA-N 0 0 426.557 3.823 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000017098112 556662752 /nfs/dbraw/zinc/66/27/52/556662752.db2.gz LTGRTCITSRVEIE-UHFFFAOYSA-N 0 0 432.586 3.508 50 0 IHAARN COC(=O)c1c(NC(=S)NCCc2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000017099151 556664253 /nfs/dbraw/zinc/66/42/53/556664253.db2.gz TVOQATRRMCJCEF-UHFFFAOYSA-N 0 0 434.583 3.960 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1n[nH]cc1Cl ZINC000017099325 556664508 /nfs/dbraw/zinc/66/45/08/556664508.db2.gz IYKVMDYXAPXIFO-UHFFFAOYSA-N 0 0 434.949 3.563 50 0 IHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000011865681 556665539 /nfs/dbraw/zinc/66/55/39/556665539.db2.gz GJGJKMRTUVQHMH-KRWDZBQOSA-N 0 0 433.526 3.834 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(C)c1 ZINC000017100725 556665710 /nfs/dbraw/zinc/66/57/10/556665710.db2.gz OYPVISZIAWUTDJ-SFHVURJKSA-N 0 0 436.599 3.976 50 0 IHAARN COc1ccc(CCc2ccc(NC(=O)[C@@H]3CS(=O)(=O)c4ccccc4C3=O)cc2)cc1 ZINC000044125973 556666109 /nfs/dbraw/zinc/66/61/09/556666109.db2.gz NDJBQYBQCLKPTC-JOCHJYFZSA-N 0 0 449.528 3.705 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000011866949 556667234 /nfs/dbraw/zinc/66/72/34/556667234.db2.gz CUWCCCONWHQQCC-KABRZNFWSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)c2ccc(-n4cccn4)cc2)C3)n1 ZINC000011908928 556672190 /nfs/dbraw/zinc/67/21/90/556672190.db2.gz ODZHGXIALOTNGP-LJQANCHMSA-N 0 0 443.482 3.819 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nnc2n1CCN2c1ccc(OC)cc1 ZINC000017316040 556675360 /nfs/dbraw/zinc/67/53/60/556675360.db2.gz LZYODCXVPQYXTQ-UHFFFAOYSA-N 0 0 425.514 3.568 50 0 IHAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000017716578 556678665 /nfs/dbraw/zinc/67/86/65/556678665.db2.gz GWRUCABLNGUCLU-WQRHYEAKSA-N 0 0 426.860 3.538 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996862 556678851 /nfs/dbraw/zinc/67/88/51/556678851.db2.gz IKNALHUTTROKCV-QGZVFWFLSA-N 0 0 445.928 3.824 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996868 556678879 /nfs/dbraw/zinc/67/88/79/556678879.db2.gz GNXASEDDTSFPHG-QGZVFWFLSA-N 0 0 445.928 3.824 50 0 IHAARN CN(C)c1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000000625370 556679617 /nfs/dbraw/zinc/67/96/17/556679617.db2.gz CAIBCSUBZGGOFO-PDGQHHTCSA-N 0 0 428.945 3.947 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011998577 556679689 /nfs/dbraw/zinc/67/96/89/556679689.db2.gz MECCHYJBJHOESW-OAHLLOKOSA-N 0 0 433.892 3.955 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 ZINC000018220185 556687564 /nfs/dbraw/zinc/68/75/64/556687564.db2.gz IPWHZSURTCABRP-QFIPXVFZSA-N 0 0 428.479 3.950 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1C ZINC000046005467 556689614 /nfs/dbraw/zinc/68/96/14/556689614.db2.gz MXQGFWMOOXXQCM-OAHLLOKOSA-N 0 0 433.487 3.844 50 0 IHAARN C[C@@H](CC(=O)Nc1cccc(Cl)c1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005492 556689626 /nfs/dbraw/zinc/68/96/26/556689626.db2.gz NKAIFZORGGWNRG-CQSZACIVSA-N 0 0 439.878 3.880 50 0 IHAARN COc1cc(CN(C)c2nnc(-c3cnc4onc(C)c4c3)n2C)c(SC)cc1OC ZINC000252496349 556690539 /nfs/dbraw/zinc/69/05/39/556690539.db2.gz PHHHFMJJJMJLFU-UHFFFAOYSA-N 0 0 440.529 3.702 50 0 IHAARN O=C(CCCn1cnc2ccccc2c1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253395225 556696928 /nfs/dbraw/zinc/69/69/28/556696928.db2.gz AIRCRLRXNCTRSM-DEOSSOPVSA-N 0 0 437.503 3.959 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000013555669 556697042 /nfs/dbraw/zinc/69/70/42/556697042.db2.gz TYBYAPIGYJYMEO-RMRDIRSESA-N 0 0 447.293 3.968 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000013557208 556697333 /nfs/dbraw/zinc/69/73/33/556697333.db2.gz RCTMZAPACOJHKZ-HXUWFJFHSA-N 0 0 426.538 3.515 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccccc2NS(=O)(=O)CC)C[C@H]1c1ccc(C)cc1 ZINC000072314463 556701357 /nfs/dbraw/zinc/70/13/57/556701357.db2.gz ZSEKQBWQKWEABE-NRFANRHFSA-N 0 0 449.598 3.648 50 0 IHAARN CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000013670153 556710144 /nfs/dbraw/zinc/71/01/44/556710144.db2.gz AOQYOGLVMBYVGE-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(Br)cc1)N1CCCN21 ZINC000138558214 556718896 /nfs/dbraw/zinc/71/88/96/556718896.db2.gz GFGPRNILPLHTFB-RCCFBDPRSA-N 0 0 446.732 3.638 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024301735 556719164 /nfs/dbraw/zinc/71/91/64/556719164.db2.gz CHDUJUJWGQJCSS-UHFFFAOYSA-N 0 0 425.579 3.668 50 0 IHAARN O=C(NCCCc1ccccc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061718335 556724970 /nfs/dbraw/zinc/72/49/70/556724970.db2.gz NOQLHSAZQVIASP-UHFFFAOYSA-N 0 0 440.551 3.757 50 0 IHAARN FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)cc1 ZINC000061718791 556725498 /nfs/dbraw/zinc/72/54/98/556725498.db2.gz IQNFCULZMSPBJV-UHFFFAOYSA-N 0 0 445.224 3.828 50 0 IHAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc2c(c1)OCO2)N1CCSCC1 ZINC000072328496 556725907 /nfs/dbraw/zinc/72/59/07/556725907.db2.gz VZCDQDYVEBUCJS-UHFFFAOYSA-N 0 0 425.485 3.904 50 0 IHAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1OCC ZINC000072330920 556728323 /nfs/dbraw/zinc/72/83/23/556728323.db2.gz ZHEIVMLNVVNBNA-UHFFFAOYSA-N 0 0 436.302 3.971 50 0 IHAARN O=C(Nc1cc(Br)c[nH]c1=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000078702736 556735365 /nfs/dbraw/zinc/73/53/65/556735365.db2.gz AVYMHBZONAXDPC-UHFFFAOYSA-N 0 0 425.242 3.835 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2cccc(OC)c2)n1Cc1ccccc1 ZINC000055167791 556736676 /nfs/dbraw/zinc/73/66/76/556736676.db2.gz NWQQHZGIMZLQPL-SFHVURJKSA-N 0 0 427.570 3.927 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2cccc(OC)c2)n1CCc1ccccc1 ZINC000055183214 556737152 /nfs/dbraw/zinc/73/71/52/556737152.db2.gz SDDLSFYFOUIXSS-UHFFFAOYSA-N 0 0 427.570 3.560 50 0 IHAARN COCCOC1CN(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)C1 ZINC000078976281 556737291 /nfs/dbraw/zinc/73/72/91/556737291.db2.gz UGMPQPOBSBQZEO-UHFFFAOYSA-N 0 0 426.897 3.589 50 0 IHAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3cccc(Cl)c3C)S2(=O)=O)c(C)c1 ZINC000033045453 556742227 /nfs/dbraw/zinc/74/22/27/556742227.db2.gz RGTQCJLDHMLNOU-UHFFFAOYSA-N 0 0 435.977 3.575 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3SCC(=O)N(C)C)o2)cc1 ZINC000019354237 556744901 /nfs/dbraw/zinc/74/49/01/556744901.db2.gz NGZCIWMFMHAFJZ-CQSZACIVSA-N 0 0 441.509 3.844 50 0 IHAARN O=C(NCCNC(=O)c1ccc(F)cc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013854925 556746685 /nfs/dbraw/zinc/74/66/85/556746685.db2.gz PPFXOSPLKCYHQW-UHFFFAOYSA-N 0 0 441.409 3.516 50 0 IHAARN CC[C@@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000000974355 556748628 /nfs/dbraw/zinc/74/86/28/556748628.db2.gz SPEZWJOIRKUOFO-NDXORKPFSA-N 0 0 429.266 3.904 50 0 IHAARN COC(=O)c1ccnc(N2CCCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)c1 ZINC000057993658 556751476 /nfs/dbraw/zinc/75/14/76/556751476.db2.gz NHMDQRXVLUJABL-DEOSSOPVSA-N 0 0 444.535 3.760 50 0 IHAARN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000058010499 556753150 /nfs/dbraw/zinc/75/31/50/556753150.db2.gz RJBOASUZXNTETA-SFHVURJKSA-N 0 0 443.550 3.559 50 0 IHAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCCNC(=O)c1cccc(C)c1 ZINC000058014226 556753416 /nfs/dbraw/zinc/75/34/16/556753416.db2.gz OFIMPJZDXVQFEM-UHFFFAOYSA-N 0 0 438.959 3.848 50 0 IHAARN Cc1cc2occ(CC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)c2cc1C ZINC000011166964 556760265 /nfs/dbraw/zinc/76/02/65/556760265.db2.gz LOKNUILOPRAZAU-UHFFFAOYSA-N 0 0 426.538 3.562 50 0 IHAARN COc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 ZINC000058157226 556762714 /nfs/dbraw/zinc/76/27/14/556762714.db2.gz DOORJEGYOPZMNM-VWLOTQADSA-N 0 0 429.520 3.905 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(=O)[nH]c4ccccc43)cc2)cc1 ZINC000061948677 556762737 /nfs/dbraw/zinc/76/27/37/556762737.db2.gz HMDVEDQQLMXXNW-UHFFFAOYSA-N 0 0 448.500 3.881 50 0 IHAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCC(=O)N1CCc2sccc2C1 ZINC000058157695 556762992 /nfs/dbraw/zinc/76/29/92/556762992.db2.gz CSDFCRVRAIPTAL-UHFFFAOYSA-N 0 0 427.501 3.566 50 0 IHAARN CCN1CCc2c(sc3nc(SCCCOC)n(-c4cccc(OC)c4)c(=O)c32)C1 ZINC000058161969 556765483 /nfs/dbraw/zinc/76/54/83/556765483.db2.gz AOEKPGDBDWWAPP-UHFFFAOYSA-N 0 0 445.610 3.962 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000062022696 556765994 /nfs/dbraw/zinc/76/59/94/556765994.db2.gz FXJMIKULGWNHAZ-UHFFFAOYSA-N 0 0 439.932 3.781 50 0 IHAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000058194348 556770342 /nfs/dbraw/zinc/77/03/42/556770342.db2.gz REMZBZSSXSWNJP-SJKOYZFVSA-N 0 0 431.514 3.603 50 0 IHAARN COc1cc(F)ccc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000058280224 556777251 /nfs/dbraw/zinc/77/72/51/556777251.db2.gz BYSZNKRBTIRUAK-UHFFFAOYSA-N 0 0 430.295 3.788 50 0 IHAARN Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@@H](C)C3)nn(C)c2n1 ZINC000058296469 556777964 /nfs/dbraw/zinc/77/79/64/556777964.db2.gz JEYUODBYQXGTKH-HZPDHXFCSA-N 0 0 449.555 3.721 50 0 IHAARN CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000058294849 556777967 /nfs/dbraw/zinc/77/79/67/556777967.db2.gz RUKPEOWCHAKMFY-MRXNPFEDSA-N 0 0 441.406 3.835 50 0 IHAARN CC1=C(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)OC1(C)C ZINC000058293390 556778062 /nfs/dbraw/zinc/77/80/62/556778062.db2.gz RAULOYXZHZDYHJ-UHFFFAOYSA-N 0 0 440.490 3.850 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@@H]2C)c1 ZINC000058357198 556782704 /nfs/dbraw/zinc/78/27/04/556782704.db2.gz CJPRDKCNJWHISJ-RYUDHWBXSA-N 0 0 436.281 3.912 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000058369791 556783441 /nfs/dbraw/zinc/78/34/41/556783441.db2.gz DVSKCCHFZSOQAA-UHFFFAOYSA-N 0 0 431.464 3.603 50 0 IHAARN O=C(NCc1cccc(N2CCOC2=O)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000058378557 556784336 /nfs/dbraw/zinc/78/43/36/556784336.db2.gz LKUWNYMODQOOLJ-UHFFFAOYSA-N 0 0 432.249 3.956 50 0 IHAARN CC(=O)Nc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccc1C ZINC000058381026 556784552 /nfs/dbraw/zinc/78/45/52/556784552.db2.gz GEDIAMUHEAVYJB-UHFFFAOYSA-N 0 0 434.323 3.858 50 0 IHAARN Cc1cc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000058582600 556790347 /nfs/dbraw/zinc/79/03/47/556790347.db2.gz BSQPFXRMKNUHSI-LLVKDONJSA-N 0 0 433.839 3.740 50 0 IHAARN COc1cc(CN2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1OC ZINC000019549852 556795073 /nfs/dbraw/zinc/79/50/73/556795073.db2.gz FQXWTLAEODJWBH-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3O)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000001407879 556797237 /nfs/dbraw/zinc/79/72/37/556797237.db2.gz OVKVJNYKPXAHGL-UHFFFAOYSA-N 0 0 432.505 3.784 50 0 IHAARN Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cnc5ccccc5c4)CC3)nn2)n1 ZINC000062163536 556797921 /nfs/dbraw/zinc/79/79/21/556797921.db2.gz XRWZRLRZGCPZIU-UHFFFAOYSA-N 0 0 427.512 3.682 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000059370100 556799086 /nfs/dbraw/zinc/79/90/86/556799086.db2.gz BMQPUKFNHSTVLQ-HXUWFJFHSA-N 0 0 449.576 3.687 50 0 IHAARN CCCCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccccc3)nn2c1=O ZINC000002363012 556799236 /nfs/dbraw/zinc/79/92/36/556799236.db2.gz NOEUELGASMAJFE-OQKWZONESA-N 0 0 447.560 3.609 50 0 IHAARN O=C(COC(=O)[C@H]1COc2ccccc2O1)N(CCc1ccccc1)Cc1ccccc1 ZINC000002623554 556800631 /nfs/dbraw/zinc/80/06/31/556800631.db2.gz HOCIPGLSYGOZMD-XMMPIXPASA-N 0 0 431.488 3.641 50 0 IHAARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)N(CCc1ccccc1)Cc1ccccc1 ZINC000002623555 556800656 /nfs/dbraw/zinc/80/06/56/556800656.db2.gz HOCIPGLSYGOZMD-DEOSSOPVSA-N 0 0 431.488 3.641 50 0 IHAARN COc1ccc(C2(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CCOCC2)cc1 ZINC000072402142 556802354 /nfs/dbraw/zinc/80/23/54/556802354.db2.gz GGZXKRUFHKZWQR-UHFFFAOYSA-N 0 0 449.473 3.506 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Br)cc1C ZINC000059741284 556803968 /nfs/dbraw/zinc/80/39/68/556803968.db2.gz ULCJHHZBVQBLRH-UHFFFAOYSA-N 0 0 433.302 3.630 50 0 IHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc(OC)c1OC ZINC000003291688 556806933 /nfs/dbraw/zinc/80/69/33/556806933.db2.gz GISFIDAIIHZSFT-CMDGGOBGSA-N 0 0 437.395 3.509 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)Nc1ccccc1OC(F)F ZINC000003283724 556808463 /nfs/dbraw/zinc/80/84/63/556808463.db2.gz JPHCHYMQDLPDBL-UHFFFAOYSA-N 0 0 447.175 3.688 50 0 IHAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000097940838 556811605 /nfs/dbraw/zinc/81/16/05/556811605.db2.gz VCEHMCFDBCESPD-UHFFFAOYSA-N 0 0 448.932 3.977 50 0 IHAARN CCC(=O)c1cc(C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000003415881 556815012 /nfs/dbraw/zinc/81/50/12/556815012.db2.gz XQSLJQRKKHVJMT-UHFFFAOYSA-N 0 0 432.542 3.636 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCC(=O)Nc3cc(C)ccc3OC)s2)cc1 ZINC000033061357 556816957 /nfs/dbraw/zinc/81/69/57/556816957.db2.gz XPPXLWAVPOWFCL-UHFFFAOYSA-N 0 0 426.498 3.687 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000003570051 556817622 /nfs/dbraw/zinc/81/76/22/556817622.db2.gz OFUBKDBJBXCWKU-UHFFFAOYSA-N 0 0 428.441 3.665 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000033062798 556819100 /nfs/dbraw/zinc/81/91/00/556819100.db2.gz IEHTXVMJVXLVBN-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033068121 556820502 /nfs/dbraw/zinc/82/05/02/556820502.db2.gz WMNOZWCNEQOLEQ-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(F)cc4)cc32)cc1 ZINC000065002601 556830879 /nfs/dbraw/zinc/83/08/79/556830879.db2.gz ULGPGBWYSZMXEH-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000065002936 556831233 /nfs/dbraw/zinc/83/12/33/556831233.db2.gz ADKWUTYXJQBYEJ-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN CC(C)(C)C1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000019630549 556832296 /nfs/dbraw/zinc/83/22/96/556832296.db2.gz DQUIEWBNDRZZAV-UHFFFAOYSA-N 0 0 439.647 3.599 50 0 IHAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000019634766 556834406 /nfs/dbraw/zinc/83/44/06/556834406.db2.gz ACEAKGNXWFYCOF-UHFFFAOYSA-N 0 0 441.600 3.729 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)n1C)CCCC2 ZINC000019636759 556835502 /nfs/dbraw/zinc/83/55/02/556835502.db2.gz OTULSHMBWIEIQN-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN C[C@H](Cn1cncn1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000062581029 556836619 /nfs/dbraw/zinc/83/66/19/556836619.db2.gz FROQVJMJEONOKW-MRXNPFEDSA-N 0 0 431.587 3.770 50 0 IHAARN COc1ccc(CCOC(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)cc1 ZINC000062580823 556836659 /nfs/dbraw/zinc/83/66/59/556836659.db2.gz KSBCVIGLVYOISS-QFIPXVFZSA-N 0 0 438.549 3.881 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1OC ZINC000019642898 556838180 /nfs/dbraw/zinc/83/81/80/556838180.db2.gz DZBZXBRHBOWTPJ-UHFFFAOYSA-N 0 0 445.368 3.517 50 0 IHAARN O=C(Cc1ccc(F)cc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997756 556838655 /nfs/dbraw/zinc/83/86/55/556838655.db2.gz ISDYZZRGDSWDBB-UHFFFAOYSA-N 0 0 431.508 3.873 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=S)Nc3ccc(CCO)cc3)cc2)C1 ZINC000019646521 556840488 /nfs/dbraw/zinc/84/04/88/556840488.db2.gz VRZIJZYLGPQGSE-CALCHBBNSA-N 0 0 447.626 3.697 50 0 IHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=S)Nc3ccc(CCO)cc3)cc2)C1 ZINC000019646528 556840491 /nfs/dbraw/zinc/84/04/91/556840491.db2.gz VRZIJZYLGPQGSE-IRXDYDNUSA-N 0 0 447.626 3.697 50 0 IHAARN COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000022998440 556840855 /nfs/dbraw/zinc/84/08/55/556840855.db2.gz STBAWBDEBODSTJ-FNORWQNLSA-N 0 0 429.567 3.745 50 0 IHAARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067172417 556841950 /nfs/dbraw/zinc/84/19/50/556841950.db2.gz ZOMBCUNDSQMNQA-FQEVSTJZSA-N 0 0 449.507 3.950 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c1 ZINC000011214559 556842965 /nfs/dbraw/zinc/84/29/65/556842965.db2.gz VXSSPCGSKUJHNR-QHCPKHFHSA-N 0 0 440.565 3.557 50 0 IHAARN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023009039 556843274 /nfs/dbraw/zinc/84/32/74/556843274.db2.gz DSVTXKXBWZQYJI-UHFFFAOYSA-N 0 0 430.533 3.610 50 0 IHAARN Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 ZINC000068198368 556848289 /nfs/dbraw/zinc/84/82/89/556848289.db2.gz STUWGJZDJHPWGZ-LBPRGKRZSA-N 0 0 441.479 3.835 50 0 investigational IHAARN CCOP(=O)(CCOCCOCCOCCP(=O)(OCC)OCC)OCC ZINC000068592458 556848835 /nfs/dbraw/zinc/84/88/35/556848835.db2.gz ZWTMAYYRMOPOCM-UHFFFAOYSA-N 0 0 434.403 3.568 50 0 IHAARN Cc1ccc(Nc2nc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cs2)cc1 ZINC000008826342 556849200 /nfs/dbraw/zinc/84/92/00/556849200.db2.gz IWZNVBMMRKZASV-UHFFFAOYSA-N 0 0 437.930 3.853 50 0 IHAARN O=C(OC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004647762 556849225 /nfs/dbraw/zinc/84/92/25/556849225.db2.gz LEXHJIOIWUTJOD-MRXNPFEDSA-N 0 0 440.315 3.586 50 0 IHAARN O=C(OC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004647761 556849317 /nfs/dbraw/zinc/84/93/17/556849317.db2.gz LEXHJIOIWUTJOD-INIZCTEOSA-N 0 0 440.315 3.586 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c(OC)c1 ZINC000033071198 556851394 /nfs/dbraw/zinc/85/13/94/556851394.db2.gz PJGOFQDWOSAWNY-UHFFFAOYSA-N 0 0 428.920 3.766 50 0 IHAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)c1 ZINC000033071304 556851411 /nfs/dbraw/zinc/85/14/11/556851411.db2.gz OUFXDJHJNAKHKU-HNNXBMFYSA-N 0 0 443.345 3.867 50 0 IHAARN O=C(NCCc1cccs1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071355 556852053 /nfs/dbraw/zinc/85/20/53/556852053.db2.gz ZNAHJIYOVAQJKX-ZDUSSCGKSA-N 0 0 433.375 3.962 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071378 556852081 /nfs/dbraw/zinc/85/20/81/556852081.db2.gz JICGPPUYQNMEAK-AWEZNQCLSA-N 0 0 431.309 3.997 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073531 556852713 /nfs/dbraw/zinc/85/27/13/556852713.db2.gz IFANUBXLZILQGG-UHFFFAOYSA-N 0 0 444.944 3.746 50 0 IHAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087526 556857632 /nfs/dbraw/zinc/85/76/32/556857632.db2.gz ZELNRCCCFXAWIT-UHFFFAOYSA-N 0 0 440.525 3.866 50 0 IHAARN O=C(COc1ccccc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106724 556859493 /nfs/dbraw/zinc/85/94/93/556859493.db2.gz YWTMFHSAUNHLQT-UHFFFAOYSA-N 0 0 426.520 3.812 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)s1 ZINC000033113188 556859914 /nfs/dbraw/zinc/85/99/14/556859914.db2.gz FGXUIYWSSOTEAU-XJKSGUPXSA-N 0 0 449.964 3.512 50 0 IHAARN CCCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000033114349 556861306 /nfs/dbraw/zinc/86/13/06/556861306.db2.gz QXIUKZJRTWQOKG-UHFFFAOYSA-N 0 0 432.452 3.787 50 0 IHAARN COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000033141759 556877940 /nfs/dbraw/zinc/87/79/40/556877940.db2.gz IRZAYNXVPVPVRQ-UHFFFAOYSA-N 0 0 446.550 3.520 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000033171029 556881754 /nfs/dbraw/zinc/88/17/54/556881754.db2.gz GGVBHIZYACEGQH-GHXNOFRVSA-N 0 0 429.473 3.729 50 0 IHAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c1NC(=O)C1CC1 ZINC000033171169 556882082 /nfs/dbraw/zinc/88/20/82/556882082.db2.gz BXNAXSSIQYBWRM-GHXNOFRVSA-N 0 0 441.509 3.916 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000033170608 556886107 /nfs/dbraw/zinc/88/61/07/556886107.db2.gz OSBJBWQKJFDVAS-QXMHVHEDSA-N 0 0 425.510 3.899 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000033228602 556888573 /nfs/dbraw/zinc/88/85/73/556888573.db2.gz ONHDLVLFJDGAGQ-CYBMUJFWSA-N 0 0 447.308 3.804 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)C1 ZINC000033250712 556891539 /nfs/dbraw/zinc/89/15/39/556891539.db2.gz VBFXNWNGPGLNTF-ZKIBYTKZSA-N 0 0 449.548 3.608 50 0 IHAARN COC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2(=O)=O ZINC000033251590 556892308 /nfs/dbraw/zinc/89/23/08/556892308.db2.gz XCTPKXLSGNIVKN-UHFFFAOYSA-N 0 0 425.437 3.606 50 0 IHAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCc1cccnc1 ZINC000033255136 556894471 /nfs/dbraw/zinc/89/44/71/556894471.db2.gz QFGIYHUORRSMRW-UHFFFAOYSA-N 0 0 426.476 3.912 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccccc5C)n4n3)CC2)cc1 ZINC000033260194 556896843 /nfs/dbraw/zinc/89/68/43/556896843.db2.gz PVNGXZQAYRYGCS-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccccc5F)n4n3)CC2)cc1 ZINC000033260347 556897186 /nfs/dbraw/zinc/89/71/86/556897186.db2.gz IOYCUJYGWFYYCO-UHFFFAOYSA-N 0 0 444.514 3.772 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nn2)nc1 ZINC000072139263 556899059 /nfs/dbraw/zinc/89/90/59/556899059.db2.gz AVGGDVNYPJAQCD-UHFFFAOYSA-N 0 0 425.443 3.556 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c(C)c1 ZINC000072139283 556899369 /nfs/dbraw/zinc/89/93/69/556899369.db2.gz LRRIGOWIQRASSC-UHFFFAOYSA-N 0 0 433.516 3.595 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019772808 556913176 /nfs/dbraw/zinc/91/31/76/556913176.db2.gz DAUUDOGXUBFTJO-UHFFFAOYSA-N 0 0 447.922 3.547 50 0 IHAARN COC(=O)[C@@H](N[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 ZINC000019798064 556916520 /nfs/dbraw/zinc/91/65/20/556916520.db2.gz YAFVFQOVUCDTMT-XZOQPEGZSA-N 0 0 438.499 3.877 50 0 IHAARN Cc1ccc(C(=O)CSc2nnc(CN3N=C(c4ccccc4)CCC3=O)n2C)cc1 ZINC000019797193 556916583 /nfs/dbraw/zinc/91/65/83/556916583.db2.gz LDOQGHXOKXVJLN-UHFFFAOYSA-N 0 0 433.537 3.625 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817665 556920440 /nfs/dbraw/zinc/92/04/40/556920440.db2.gz QGSMOEHWBBGMMU-NRFANRHFSA-N 0 0 427.464 3.557 50 0 IHAARN CCc1nn2c(ncc3c2ccn(-c2nc(SC)n[nH]2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821309 556924424 /nfs/dbraw/zinc/92/44/24/556924424.db2.gz PBPUNFAFFUCLJL-UHFFFAOYSA-N 0 0 437.916 3.756 50 0 IHAARN COc1ccc(OC)c(CN2CCN(Cc3ccc(OC)c(Br)c3)CC2)c1 ZINC000019832111 556927367 /nfs/dbraw/zinc/92/73/67/556927367.db2.gz DOMSYBVTTMXEMY-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019840634 556929338 /nfs/dbraw/zinc/92/93/38/556929338.db2.gz GIJBIGSRCDGFKP-CQSZACIVSA-N 0 0 437.323 3.834 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860152 556932412 /nfs/dbraw/zinc/93/24/12/556932412.db2.gz DXZHKEDBAFABCT-KRWDZBQOSA-N 0 0 436.961 3.919 50 0 IHAARN Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868796 556935417 /nfs/dbraw/zinc/93/54/17/556935417.db2.gz GCXQSUWNNUQOCN-QGZVFWFLSA-N 0 0 438.640 3.507 50 0 IHAARN C[C@@H](CC(=O)N1CCCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019878036 556936130 /nfs/dbraw/zinc/93/61/30/556936130.db2.gz SRCQRVMJPQYTQT-QFIPXVFZSA-N 0 0 433.596 3.959 50 0 IHAARN CC(C)OC(=O)[C@@H](Cc1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 ZINC000019911041 556943132 /nfs/dbraw/zinc/94/31/32/556943132.db2.gz IHCPBFYGCWDTAF-JOCHJYFZSA-N 0 0 433.504 3.997 50 0 IHAARN COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 ZINC000019932515 556949427 /nfs/dbraw/zinc/94/94/27/556949427.db2.gz FVQHSUXRLZYNTR-HSZRJFAPSA-N 0 0 430.508 3.944 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1 ZINC000019938885 556953090 /nfs/dbraw/zinc/95/30/90/556953090.db2.gz WGCMQMAODSUUBH-OAQYLSRUSA-N 0 0 445.372 3.896 50 0 IHAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000019972553 556956137 /nfs/dbraw/zinc/95/61/37/556956137.db2.gz WDOCAJMASDVCQG-UHFFFAOYSA-N 0 0 433.552 3.578 50 0 IHAARN COc1cc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 ZINC000020001759 556957360 /nfs/dbraw/zinc/95/73/60/556957360.db2.gz OYXPDSJSKGWQJR-UHFFFAOYSA-N 0 0 440.521 3.711 50 0 IHAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(Br)cc3)c2)C1 ZINC000033264537 556974037 /nfs/dbraw/zinc/97/40/37/556974037.db2.gz VMIKSZUKDXHHOR-GOSISDBHSA-N 0 0 430.346 3.898 50 0 IHAARN Cc1cc(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000020056333 556975015 /nfs/dbraw/zinc/97/50/15/556975015.db2.gz MRBVLPFDPDJSOM-MRXNPFEDSA-N 0 0 446.619 3.913 50 0 IHAARN Cn1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(Cc3ccccc3)c(=O)c2n1 ZINC000033265288 556975324 /nfs/dbraw/zinc/97/53/24/556975324.db2.gz APZSQJQEIQUHFP-UHFFFAOYSA-N 0 0 439.928 3.563 50 0 IHAARN CC(C)CCn1c(=O)c2nn(C)cc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000033265338 556975586 /nfs/dbraw/zinc/97/55/86/556975586.db2.gz OSMOPUUAISYYLC-UHFFFAOYSA-N 0 0 437.928 3.699 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000020068882 556978337 /nfs/dbraw/zinc/97/83/37/556978337.db2.gz ZZGPAPHKRUNMKG-IRXDYDNUSA-N 0 0 433.896 3.785 50 0 IHAARN COc1cc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086307 556979033 /nfs/dbraw/zinc/97/90/33/556979033.db2.gz MTNXHJJSJKWCHO-OAQYLSRUSA-N 0 0 447.491 3.883 50 0 IHAARN COc1cc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc(OC)c1 ZINC000020095780 556979748 /nfs/dbraw/zinc/97/97/48/556979748.db2.gz CWTZWBNMTUJYKP-UHFFFAOYSA-N 0 0 433.508 3.753 50 0 IHAARN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103526 556981058 /nfs/dbraw/zinc/98/10/58/556981058.db2.gz GPCLVCRWSFUZRI-JOCHJYFZSA-N 0 0 439.475 3.751 50 0 IHAARN Cc1cccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1C ZINC000033268389 556983805 /nfs/dbraw/zinc/98/38/05/556983805.db2.gz KYMPLFWGBZZVDX-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN O=C(COc1ccccc1Cl)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 ZINC000033268516 556984590 /nfs/dbraw/zinc/98/45/90/556984590.db2.gz SHWGYPKNFWPHFL-UHFFFAOYSA-N 0 0 435.867 3.944 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033268570 556985167 /nfs/dbraw/zinc/98/51/67/556985167.db2.gz UAHYBYPIFPGDLG-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(OC(F)F)cc2)c(C)c1 ZINC000020133950 556988071 /nfs/dbraw/zinc/98/80/71/556988071.db2.gz YGAOUXQHNVTPJS-GOSISDBHSA-N 0 0 426.427 3.819 50 0 IHAARN CSc1ccc(S(=O)(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1 ZINC000097162125 556993888 /nfs/dbraw/zinc/99/38/88/556993888.db2.gz WYFRBDMQMCZMEK-HNNXBMFYSA-N 0 0 428.461 3.613 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccnc2Oc2ccccc2)c1 ZINC000023074558 556995365 /nfs/dbraw/zinc/99/53/65/556995365.db2.gz RZGHAYYCDJBIAU-UHFFFAOYSA-N 0 0 441.509 3.862 50 0 IHAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000020211154 556998788 /nfs/dbraw/zinc/99/87/88/556998788.db2.gz DOYXLYSCHRPFBB-QFIPXVFZSA-N 0 0 426.948 3.635 50 0 IHAARN COc1cccc(CC2(CO)CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000077405945 556999166 /nfs/dbraw/zinc/99/91/66/556999166.db2.gz NHYRYSHEBROKTG-UHFFFAOYSA-N 0 0 425.550 3.854 50 0 IHAARN O=C(NC[C@H](c1cccc2ccccc21)N1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000023107749 557002416 /nfs/dbraw/zinc/00/24/16/557002416.db2.gz HLXQYROWFBPJQU-JOCHJYFZSA-N 0 0 437.927 3.621 50 0 IHAARN COc1ccc(-c2noc(CSCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1OC ZINC000032943008 557013396 /nfs/dbraw/zinc/01/33/96/557013396.db2.gz JZWVTHLCULNAFQ-UHFFFAOYSA-N 0 0 427.482 3.828 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3C)cc(=O)n2o1 ZINC000045995850 557015561 /nfs/dbraw/zinc/01/55/61/557015561.db2.gz VSWHXCUSVLZKMY-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(CSc2ccccc2)o1 ZINC000010690102 557017673 /nfs/dbraw/zinc/01/76/73/557017673.db2.gz MNWIRXWLZDDCEB-UHFFFAOYSA-N 0 0 437.930 3.818 50 0 IHAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000023130868 557018161 /nfs/dbraw/zinc/01/81/61/557018161.db2.gz CHJMFLBWDWGDOR-UHFFFAOYSA-N 0 0 434.508 3.883 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nc(-c2cccs2)oc1C ZINC000010720964 557020538 /nfs/dbraw/zinc/02/05/38/557020538.db2.gz ZRQSMEHINOAOSM-SFHVURJKSA-N 0 0 446.550 3.531 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1OCC(F)(F)F ZINC000010720391 557020641 /nfs/dbraw/zinc/02/06/41/557020641.db2.gz RLGNQMLFTDWLFJ-UHFFFAOYSA-N 0 0 447.339 3.882 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1F ZINC000010730764 557021706 /nfs/dbraw/zinc/02/17/06/557021706.db2.gz KDKKJJOSTPUNSF-UHFFFAOYSA-N 0 0 448.516 3.574 50 0 IHAARN COc1ccc(CCNC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)cc1 ZINC000023138698 557022090 /nfs/dbraw/zinc/02/20/90/557022090.db2.gz FEYVEBKUJUCWLX-QGZVFWFLSA-N 0 0 437.565 3.842 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000046027436 557023423 /nfs/dbraw/zinc/02/34/23/557023423.db2.gz XCTGKNDYYIAMOA-UHFFFAOYSA-N 0 0 449.576 3.776 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1 ZINC000023139365 557024015 /nfs/dbraw/zinc/02/40/15/557024015.db2.gz ZPIYPTIXLAVAMX-UHFFFAOYSA-N 0 0 440.525 3.579 50 0 IHAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000046027661 557024091 /nfs/dbraw/zinc/02/40/91/557024091.db2.gz KFNOFVMXFFPROB-UHFFFAOYSA-N 0 0 443.613 3.842 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)c1C ZINC000046046363 557026232 /nfs/dbraw/zinc/02/62/32/557026232.db2.gz HFDWVAPQSWHFFS-IBGZPJMESA-N 0 0 445.604 3.818 50 0 IHAARN COc1ccccc1CNC(=O)[C@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032945030 557028346 /nfs/dbraw/zinc/02/83/46/557028346.db2.gz UBCKMPMRUFHCSK-AWEZNQCLSA-N 0 0 433.430 3.918 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 ZINC000046074809 557031065 /nfs/dbraw/zinc/03/10/65/557031065.db2.gz ZLFSYMWSBYTTGM-CQSZACIVSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000046074680 557031117 /nfs/dbraw/zinc/03/11/17/557031117.db2.gz HMCKKDFLHSSGSM-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000046074950 557031510 /nfs/dbraw/zinc/03/15/10/557031510.db2.gz PZVCLHHTFYXUNR-QGZVFWFLSA-N 0 0 448.548 3.998 50 0 IHAARN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000046075350 557031994 /nfs/dbraw/zinc/03/19/94/557031994.db2.gz XTKWAFYZCMSVBJ-OAHLLOKOSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010850798 557035264 /nfs/dbraw/zinc/03/52/64/557035264.db2.gz ONWMDLSWZNWERZ-UHFFFAOYSA-N 0 0 443.503 3.526 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCCC(=O)Nc2ccc(F)cc2)n1 ZINC000046086708 557035861 /nfs/dbraw/zinc/03/58/61/557035861.db2.gz GHGMMUSQHGBJHO-UHFFFAOYSA-N 0 0 441.326 3.639 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)s2)cc1 ZINC000046124188 557037611 /nfs/dbraw/zinc/03/76/11/557037611.db2.gz XXGMVYPNIOTWAH-MRXNPFEDSA-N 0 0 442.566 3.667 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000017200469 557040472 /nfs/dbraw/zinc/04/04/72/557040472.db2.gz JZCUASBEOHESRG-UHFFFAOYSA-N 0 0 445.500 3.576 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@H](c1cccnc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243764 557043697 /nfs/dbraw/zinc/04/36/97/557043697.db2.gz AABQRDVUPBHVIZ-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000051357813 557045256 /nfs/dbraw/zinc/04/52/56/557045256.db2.gz LNNOHFGRYIKBDU-UHFFFAOYSA-N 0 0 445.494 3.915 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000017296281 557046391 /nfs/dbraw/zinc/04/63/91/557046391.db2.gz RAGUBDMMMNUHEJ-UHFFFAOYSA-N 0 0 447.560 3.927 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000022919513 557046710 /nfs/dbraw/zinc/04/67/10/557046710.db2.gz AQGLHIAHICDSMZ-LJQANCHMSA-N 0 0 425.573 3.972 50 0 IHAARN O=C(NCc1ccccn1)c1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 ZINC000048235244 557046956 /nfs/dbraw/zinc/04/69/56/557046956.db2.gz DTUKSCUQKUAQLD-QHCPKHFHSA-N 0 0 445.523 3.620 50 0 IHAARN O=C(CN1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1)Nc1cccc(F)c1 ZINC000022922235 557047869 /nfs/dbraw/zinc/04/78/69/557047869.db2.gz FDANJIGGSITRKF-UHFFFAOYSA-N 0 0 443.526 3.897 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1ccncc1 ZINC000048248471 557048231 /nfs/dbraw/zinc/04/82/31/557048231.db2.gz BKZMRYFWBPTVKJ-IBGZPJMESA-N 0 0 438.528 3.536 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 ZINC000017269612 557048480 /nfs/dbraw/zinc/04/84/80/557048480.db2.gz HMVKJPUFTKKRQS-UHFFFAOYSA-N 0 0 429.542 3.915 50 0 IHAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000017271524 557049083 /nfs/dbraw/zinc/04/90/83/557049083.db2.gz CDEPMMLGJKMIPU-QGZVFWFLSA-N 0 0 440.569 3.579 50 0 IHAARN C[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 ZINC000022930677 557049837 /nfs/dbraw/zinc/04/98/37/557049837.db2.gz HODJKOCWVNLJJR-HOTGVXAUSA-N 0 0 436.419 3.894 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022931503 557050106 /nfs/dbraw/zinc/05/01/06/557050106.db2.gz JUWYWIKIDMVMEC-UHFFFAOYSA-N 0 0 436.581 3.883 50 0 IHAARN CC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000048263421 557050206 /nfs/dbraw/zinc/05/02/06/557050206.db2.gz LYECYNWZHDVIOD-OUKQBFOZSA-N 0 0 431.536 3.876 50 0 IHAARN CCN(CCCNC(=O)C[C@H](C)CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1 ZINC000033272079 557050817 /nfs/dbraw/zinc/05/08/17/557050817.db2.gz XLBHHBMGNTVVIP-GOSISDBHSA-N 0 0 442.585 3.648 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000048265581 557050877 /nfs/dbraw/zinc/05/08/77/557050877.db2.gz IQHRQTAUMGBJSE-QGZVFWFLSA-N 0 0 428.554 3.864 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)cc1F ZINC000033273375 557051566 /nfs/dbraw/zinc/05/15/66/557051566.db2.gz LPVFMRRXQWNEOD-UHFFFAOYSA-N 0 0 445.882 3.807 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000048288441 557054032 /nfs/dbraw/zinc/05/40/32/557054032.db2.gz GEHQPRFWWUZBTL-GJZGRUSLSA-N 0 0 426.542 3.579 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000022956616 557054510 /nfs/dbraw/zinc/05/45/10/557054510.db2.gz IDGLPIHCJLJZBS-UHFFFAOYSA-N 0 0 425.529 3.796 50 0 IHAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c12 ZINC000048290845 557055403 /nfs/dbraw/zinc/05/54/03/557055403.db2.gz PDASKINWRNMEKO-NRFANRHFSA-N 0 0 432.455 3.897 50 0 IHAARN COc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022983092 557055832 /nfs/dbraw/zinc/05/58/32/557055832.db2.gz VQXSMKZFTXUMFY-SFHVURJKSA-N 0 0 437.565 3.930 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)NCc2ccc(Cl)cc2)c3=O)cc1 ZINC000033277697 557059570 /nfs/dbraw/zinc/05/95/70/557059570.db2.gz GEDLBPBXBNZJAE-UHFFFAOYSA-N 0 0 436.899 3.974 50 0 IHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000023053450 557059815 /nfs/dbraw/zinc/05/98/15/557059815.db2.gz QWKQUDWBTCCERU-UHFFFAOYSA-N 0 0 433.917 3.846 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cs2)cc1 ZINC000023053531 557060155 /nfs/dbraw/zinc/06/01/55/557060155.db2.gz RENXYYIPTVHZLW-UHFFFAOYSA-N 0 0 437.565 3.793 50 0 IHAARN O=C(CN1CCN(C(=O)Oc2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000048310735 557060597 /nfs/dbraw/zinc/06/05/97/557060597.db2.gz XBRYKDLPUBIEQQ-RUZDIDTESA-N 0 0 443.547 3.903 50 0 IHAARN Nn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1cccs1 ZINC000023074566 557061477 /nfs/dbraw/zinc/06/14/77/557061477.db2.gz HPMPAKYZSDJDIN-UHFFFAOYSA-N 0 0 437.554 3.514 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br ZINC000023081011 557062789 /nfs/dbraw/zinc/06/27/89/557062789.db2.gz GGJJXUPEMSHMLK-DLBZAZTESA-N 0 0 437.334 3.678 50 0 IHAARN COc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000048324793 557065611 /nfs/dbraw/zinc/06/56/11/557065611.db2.gz FZOZLRBUPKROQY-UHFFFAOYSA-N 0 0 443.443 3.877 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)cc1 ZINC000033281940 557067774 /nfs/dbraw/zinc/06/77/74/557067774.db2.gz MCHZIDKOMAXZEB-UHFFFAOYSA-N 0 0 432.450 3.608 50 0 IHAARN CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCc2ccccc21 ZINC000023151302 557069112 /nfs/dbraw/zinc/06/91/12/557069112.db2.gz OCGJDCAGBGQSRC-NRFANRHFSA-N 0 0 430.545 3.762 50 0 IHAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000033291057 557069215 /nfs/dbraw/zinc/06/92/15/557069215.db2.gz BTAWDYMLVRFTDQ-HNNXBMFYSA-N 0 0 440.887 3.823 50 0 IHAARN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 ZINC000033291305 557069446 /nfs/dbraw/zinc/06/94/46/557069446.db2.gz SLGNFDGQHZPQLG-HNNXBMFYSA-N 0 0 438.509 3.638 50 0 IHAARN O=c1c2cn[nH]c2nc(SCc2nc(-c3cccs3)no2)n1-c1ccc(F)c(F)c1 ZINC000033292223 557070124 /nfs/dbraw/zinc/07/01/24/557070124.db2.gz KYXHFWMOFNYMHS-UHFFFAOYSA-N 0 0 444.448 3.791 50 0 IHAARN COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 ZINC000048342266 557070796 /nfs/dbraw/zinc/07/07/96/557070796.db2.gz GOJMGXOMMKGWMT-XZOQPEGZSA-N 0 0 444.959 3.792 50 0 IHAARN O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048342401 557070892 /nfs/dbraw/zinc/07/08/92/557070892.db2.gz GIJOLSHHLOXNHR-FQEVSTJZSA-N 0 0 440.931 3.717 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000023184834 557071642 /nfs/dbraw/zinc/07/16/42/557071642.db2.gz FZNBGOPVUFIHLF-OAHLLOKOSA-N 0 0 436.961 3.821 50 0 IHAARN Cc1n[nH]cc1CNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000048344128 557071660 /nfs/dbraw/zinc/07/16/60/557071660.db2.gz VJYMMIQVKJKNCK-UHFFFAOYSA-N 0 0 426.571 3.896 50 0 IHAARN Cc1nn2c(nc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)cc2=O)s1 ZINC000048344479 557071742 /nfs/dbraw/zinc/07/17/42/557071742.db2.gz TVTRABZEXZPTHQ-UHFFFAOYSA-N 0 0 426.571 3.845 50 0 IHAARN O=C(CSc1nncn1C1CC1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000023200276 557072878 /nfs/dbraw/zinc/07/28/78/557072878.db2.gz ATODWLIQGOIUSZ-UHFFFAOYSA-N 0 0 437.900 3.681 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1=O ZINC000048361881 557074226 /nfs/dbraw/zinc/07/42/26/557074226.db2.gz BNHQVJHKGOGHEW-MRXNPFEDSA-N 0 0 436.537 3.552 50 0 IHAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)c1=O ZINC000033298504 557074511 /nfs/dbraw/zinc/07/45/11/557074511.db2.gz KMSRJUCPDYEVSK-UHFFFAOYSA-N 0 0 447.535 3.889 50 0 IHAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000048362713 557074699 /nfs/dbraw/zinc/07/46/99/557074699.db2.gz ZMHPQEBESKQQLH-MRXNPFEDSA-N 0 0 433.430 3.694 50 0 IHAARN CCOc1cc(C=CC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)ccc1OC(F)F ZINC000048373852 557075997 /nfs/dbraw/zinc/07/59/97/557075997.db2.gz BGDDXBKQYRLNCV-PKNBQFBNSA-N 0 0 430.411 3.554 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c3)n2)cc1 ZINC000033293156 557076274 /nfs/dbraw/zinc/07/62/74/557076274.db2.gz ZMBYOYUYMKTXOA-UHFFFAOYSA-N 0 0 434.427 3.660 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 ZINC000033293218 557076350 /nfs/dbraw/zinc/07/63/50/557076350.db2.gz WAQLMAQYJWWNLQ-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN CN(C(=O)CSc1ccccc1C(=O)NCc1nnc2ccccn21)C1CCCCC1 ZINC000023244581 557077634 /nfs/dbraw/zinc/07/76/34/557077634.db2.gz IKLFJGKDLJJLPS-UHFFFAOYSA-N 0 0 437.569 3.543 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 ZINC000023246942 557078054 /nfs/dbraw/zinc/07/80/54/557078054.db2.gz ACMDDYQGTZVQGX-SUMWQHHRSA-N 0 0 429.344 3.550 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000049002009 557081418 /nfs/dbraw/zinc/08/14/18/557081418.db2.gz RULDWWPYLORMRU-UHFFFAOYSA-N 0 0 430.439 3.735 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000023272894 557081466 /nfs/dbraw/zinc/08/14/66/557081466.db2.gz XKUGSGVOGDEQEI-UHFFFAOYSA-N 0 0 432.561 3.982 50 0 IHAARN COc1ccccc1-c1noc(Cn2c3ccsc3c(=O)n(-c3ccc(C)cc3)c2=O)n1 ZINC000048986437 557082306 /nfs/dbraw/zinc/08/23/06/557082306.db2.gz ZZWUGKSUFBJMQU-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 ZINC000023290700 557082372 /nfs/dbraw/zinc/08/23/72/557082372.db2.gz RTTYAGJXRBDKLW-NVQXNPDNSA-N 0 0 433.552 3.846 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)c1 ZINC000048986936 557082589 /nfs/dbraw/zinc/08/25/89/557082589.db2.gz HALKBCRSOWSKFJ-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)C2(N4CCOCC4)CCCCC2)C3)nc1 ZINC000023340271 557086015 /nfs/dbraw/zinc/08/60/15/557086015.db2.gz JNGYCYKAZBTEIK-NRFANRHFSA-N 0 0 435.568 3.512 50 0 IHAARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023351708 557086388 /nfs/dbraw/zinc/08/63/88/557086388.db2.gz RUUSIJFOGSXRLL-QHCPKHFHSA-N 0 0 432.593 3.948 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3cc(Cl)ccc3C)c2n1 ZINC000049002215 557089927 /nfs/dbraw/zinc/08/99/27/557089927.db2.gz WEKGQLQBWKRMGE-UHFFFAOYSA-N 0 0 438.915 3.541 50 0 IHAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382423 557089910 /nfs/dbraw/zinc/08/99/10/557089910.db2.gz VAZHFWWAMNZRDJ-OAQYLSRUSA-N 0 0 441.491 3.947 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000033310308 557093987 /nfs/dbraw/zinc/09/39/87/557093987.db2.gz YXFBNBXCUDLXNF-UHFFFAOYSA-N 0 0 427.302 3.989 50 0 IHAARN O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310613 557094354 /nfs/dbraw/zinc/09/43/54/557094354.db2.gz GMGWVQDXRGXANP-GOSISDBHSA-N 0 0 446.906 3.635 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000033312892 557097570 /nfs/dbraw/zinc/09/75/70/557097570.db2.gz RHGGHSDFPGMOEB-RXFWQSSRSA-N 0 0 449.595 3.730 50 0 IHAARN Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)N=C(C(=O)N1CCCCC1)S2(=O)=O ZINC000049402695 557097929 /nfs/dbraw/zinc/09/79/29/557097929.db2.gz SKDJSPLZXCTKJJ-UHFFFAOYSA-N 0 0 431.945 3.768 50 0 IHAARN CCc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000049403062 557098539 /nfs/dbraw/zinc/09/85/39/557098539.db2.gz DVYNBNXJGJFYLO-HXUWFJFHSA-N 0 0 443.862 3.557 50 0 IHAARN COc1cc(NC(=O)CN2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1 ZINC000049403261 557098811 /nfs/dbraw/zinc/09/88/11/557098811.db2.gz WOYRPMJHHNBTKO-UHFFFAOYSA-N 0 0 436.512 3.880 50 0 IHAARN CCc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3F)C3=C2C(=O)OC3)cc1 ZINC000049403071 557098817 /nfs/dbraw/zinc/09/88/17/557098817.db2.gz QSCXGTWQLSXRDL-FQEVSTJZSA-N 0 0 443.862 3.557 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(OC)c1 ZINC000011337117 557100593 /nfs/dbraw/zinc/10/05/93/557100593.db2.gz ICRWPTBFJTYFAU-LJQANCHMSA-N 0 0 437.471 3.675 50 0 IHAARN Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 ZINC000049406370 557101590 /nfs/dbraw/zinc/10/15/90/557101590.db2.gz DOVBQKKTYXZGQP-UHFFFAOYSA-N 0 0 431.540 3.536 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n2c(-c2ccccc2)n1 ZINC000049407060 557102472 /nfs/dbraw/zinc/10/24/72/557102472.db2.gz JNPVAUWGGSYKAJ-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccc2c(c1)CCC2 ZINC000023642317 557102576 /nfs/dbraw/zinc/10/25/76/557102576.db2.gz SOPDXZNAQFRFHF-UHFFFAOYSA-N 0 0 432.259 3.504 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621483 557102789 /nfs/dbraw/zinc/10/27/89/557102789.db2.gz FHYITJUPSYZWNH-SFHVURJKSA-N 0 0 443.519 3.504 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)c(C)c1C(=O)OC(C)C 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COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414653 557110008 /nfs/dbraw/zinc/11/00/08/557110008.db2.gz ZMCWUVKBJRUGKG-FQEVSTJZSA-N 0 0 431.492 3.676 50 0 IHAARN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000049547396 557112399 /nfs/dbraw/zinc/11/23/99/557112399.db2.gz VEXNROZRAJARRG-UHFFFAOYSA-N 0 0 425.492 3.544 50 0 IHAARN COc1cc(N2c3c(sc(=O)n3C)[C@@H](c3ccc(F)cc3)CC2=O)cc(OC)c1OC ZINC000049549147 557112614 /nfs/dbraw/zinc/11/26/14/557112614.db2.gz OLIGCLYKELYSNW-OAHLLOKOSA-N 0 0 444.484 3.812 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1SC(F)F ZINC000011369755 557114929 /nfs/dbraw/zinc/11/49/29/557114929.db2.gz SZAHNAYEMKCSMJ-UHFFFAOYSA-N 0 0 427.436 3.536 50 0 IHAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)C)C2=O)cc1 ZINC000010930801 557116007 /nfs/dbraw/zinc/11/60/07/557116007.db2.gz IXQCNKRIAJHQNZ-NFBKMPQASA-N 0 0 427.570 3.981 50 0 IHAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000033331866 557116322 /nfs/dbraw/zinc/11/63/22/557116322.db2.gz UFRZGCCKWGTNBT-RUZDIDTESA-N 0 0 449.507 3.827 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023804898 557116665 /nfs/dbraw/zinc/11/66/65/557116665.db2.gz IRDZETWJOVXTBP-IBGZPJMESA-N 0 0 432.923 3.995 50 0 IHAARN Cc1nc(COc2ccc(C(=O)OCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)no1 ZINC000014897580 557117592 /nfs/dbraw/zinc/11/75/92/557117592.db2.gz IMYZVSQQXRZPPE-INIZCTEOSA-N 0 0 449.507 3.870 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000023845633 557119971 /nfs/dbraw/zinc/11/99/71/557119971.db2.gz BJMNWKJHGAJYEL-OAQYLSRUSA-N 0 0 441.959 3.579 50 0 IHAARN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)NCc1ccc(F)cc1Cl ZINC000085823519 557120425 /nfs/dbraw/zinc/12/04/25/557120425.db2.gz ALOQOMSPIBPUKK-QHCPKHFHSA-N 0 0 443.950 3.707 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000018454531 557121393 /nfs/dbraw/zinc/12/13/93/557121393.db2.gz 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CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000011374826 557129508 /nfs/dbraw/zinc/12/95/08/557129508.db2.gz GBGXAODXBIBKTR-UHFFFAOYSA-N 0 0 446.532 3.841 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000024030052 557132676 /nfs/dbraw/zinc/13/26/76/557132676.db2.gz HBGDFQNVWYXAJI-UHFFFAOYSA-N 0 0 436.512 3.606 50 0 IHAARN C[C@@H](NC(=O)CC1N=NC(=S)N1Cc1ccccc1)c1ccccc1Br ZINC000017965008 557133982 /nfs/dbraw/zinc/13/39/82/557133982.db2.gz ACALPQSUXWMQGM-CYBMUJFWSA-N 0 0 431.359 3.798 50 0 IHAARN Cn1ncc2c1ncn(CCC(=O)Nc1ccc(-c3cccc(C(F)(F)F)c3)cc1)c2=O ZINC000024757213 557134340 /nfs/dbraw/zinc/13/43/40/557134340.db2.gz UTSZQEPKNWDIRY-UHFFFAOYSA-N 0 0 441.413 3.845 50 0 IHAARN C[C@@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2ccccc2)cc1 ZINC000206702471 557136084 /nfs/dbraw/zinc/13/60/84/557136084.db2.gz VLYWYMAXKIMJQE-HSZRJFAPSA-N 0 0 445.487 3.987 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000018003121 557141548 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IHAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000024470243 557147694 /nfs/dbraw/zinc/14/76/94/557147694.db2.gz LVUKVAKSUUQAPC-UHFFFAOYSA-N 0 0 429.455 3.947 50 0 IHAARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011449686 557148631 /nfs/dbraw/zinc/14/86/31/557148631.db2.gz DJIRQAWXACPLCT-UHFFFAOYSA-N 0 0 436.599 3.528 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000011450732 557149348 /nfs/dbraw/zinc/14/93/48/557149348.db2.gz SLPBNUKKIRYPOV-UHFFFAOYSA-N 0 0 436.599 3.528 50 0 IHAARN Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(Br)c1 ZINC000011457183 557150872 /nfs/dbraw/zinc/15/08/72/557150872.db2.gz CHOCRHBBWWEOBQ-UHFFFAOYSA-N 0 0 431.377 3.858 50 0 IHAARN CCOC(=O)c1sc(NC(=O)N2CCN(c3ccccc3)CC2)c(C(=O)OCC)c1C ZINC000024562474 557151097 /nfs/dbraw/zinc/15/10/97/557151097.db2.gz AZTQIWPGHXRYFN-UHFFFAOYSA-N 0 0 445.541 3.764 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 ZINC000024576530 557151900 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50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000024611099 557155173 /nfs/dbraw/zinc/15/51/73/557155173.db2.gz MXSBDBATVJURRC-HXUWFJFHSA-N 0 0 428.598 3.674 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)c1 ZINC000024612206 557155427 /nfs/dbraw/zinc/15/54/27/557155427.db2.gz IZXCJRUSLIAMLQ-UHFFFAOYSA-N 0 0 430.570 3.963 50 0 IHAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613566 557156032 /nfs/dbraw/zinc/15/60/32/557156032.db2.gz HKRCNVBEROPNPA-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN O=C(N[C@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000095100041 557156164 /nfs/dbraw/zinc/15/61/64/557156164.db2.gz ZQSMOXRTFRRYER-LJQANCHMSA-N 0 0 426.775 3.931 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)o1 ZINC000010954934 557157579 /nfs/dbraw/zinc/15/75/79/557157579.db2.gz ZJERFRSTGPBPQH-QKKBWIMNSA-N 0 0 433.420 3.972 50 0 IHAARN COc1ccc(-c2nc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cs2)cc1OC ZINC000024661164 557158034 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IHAARN CCc1nn2c(nc(CSc3nc4cc(Cl)ccc4n3CCOC)cc2=O)s1 ZINC000024828790 557169769 /nfs/dbraw/zinc/16/97/69/557169769.db2.gz QGBVBGBZCRQRIR-UHFFFAOYSA-N 0 0 435.962 3.655 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c4ncccc34)C2)s1 ZINC000024832592 557170910 /nfs/dbraw/zinc/17/09/10/557170910.db2.gz GGCVFWHTGCELAR-INIZCTEOSA-N 0 0 429.567 3.953 50 0 IHAARN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1nc(-c2ccco2)no1 ZINC000024839116 557172863 /nfs/dbraw/zinc/17/28/63/557172863.db2.gz GLDFWHIHPDSMFZ-UHFFFAOYSA-N 0 0 433.534 3.794 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000024871627 557173628 /nfs/dbraw/zinc/17/36/28/557173628.db2.gz NHNYFVAXKXZGPD-CYBMUJFWSA-N 0 0 437.587 3.522 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2coc(-c3cccs3)n2)c1 ZINC000024852919 557174273 /nfs/dbraw/zinc/17/42/73/557174273.db2.gz UCWISPBAVCUFHE-UHFFFAOYSA-N 0 0 426.903 3.664 50 0 IHAARN CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000000779435 557174707 /nfs/dbraw/zinc/17/47/07/557174707.db2.gz GJSUKAVNKQPIIE-UHFFFAOYSA-N 0 0 434.521 3.835 50 0 IHAARN CCc1ccccc1-n1cnnc1SCC(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000024863965 557174866 /nfs/dbraw/zinc/17/48/66/557174866.db2.gz ADOYQVZMYZPHNS-UHFFFAOYSA-N 0 0 437.569 3.636 50 0 IHAARN O=C(c1cccs1)N1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000024865883 557175282 /nfs/dbraw/zinc/17/52/82/557175282.db2.gz VNXOLAHJWBMXGJ-LJQANCHMSA-N 0 0 438.549 3.738 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccccc2Br)cc1 ZINC000024922967 557178966 /nfs/dbraw/zinc/17/89/66/557178966.db2.gz YRFJKJHEBUJVFQ-HZPDHXFCSA-N 0 0 432.362 3.894 50 0 IHAARN CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(Cl)cc1 ZINC000009095859 557181752 /nfs/dbraw/zinc/18/17/52/557181752.db2.gz OQSYBCKRBBIZRT-UHFFFAOYSA-N 0 0 430.917 3.902 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000003170702 557181844 /nfs/dbraw/zinc/18/18/44/557181844.db2.gz XUTQPDXSBGBOOT-QHCPKHFHSA-N 0 0 426.582 3.629 50 0 IHAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccc(F)cc1 ZINC000096210672 557183223 /nfs/dbraw/zinc/18/32/23/557183223.db2.gz IFCFZTUIUSCEJX-UHFFFAOYSA-N 0 0 444.459 3.795 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000096211269 557183628 /nfs/dbraw/zinc/18/36/28/557183628.db2.gz HZCDWGQJJUKWEK-DNQXCXABSA-N 0 0 449.595 3.550 50 0 IHAARN Cc1csc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)n2C)n1 ZINC000009261501 557184248 /nfs/dbraw/zinc/18/42/48/557184248.db2.gz XLYFYIMUVPSRMD-UHFFFAOYSA-N 0 0 429.571 3.769 50 0 IHAARN CCc1nnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2CC)s1 ZINC000009263842 557185213 /nfs/dbraw/zinc/18/52/13/557185213.db2.gz MXBRIFHAFGWSEX-UHFFFAOYSA-N 0 0 432.575 3.639 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1 ZINC000024980261 557185269 /nfs/dbraw/zinc/18/52/69/557185269.db2.gz PCJZOHJGKMNZLJ-INIZCTEOSA-N 0 0 432.362 3.641 50 0 IHAARN CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009303679 557186081 /nfs/dbraw/zinc/18/60/81/557186081.db2.gz FHYMYLFXTLQBSI-CQSZACIVSA-N 0 0 426.498 3.725 50 0 IHAARN CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1cccnc1 ZINC000009304336 557186100 /nfs/dbraw/zinc/18/61/00/557186100.db2.gz OMGJEFPZOUHMJJ-UHFFFAOYSA-N 0 0 426.527 3.709 50 0 IHAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009327691 557186729 /nfs/dbraw/zinc/18/67/29/557186729.db2.gz OQLLHRLFNHCXIP-UHFFFAOYSA-N 0 0 432.908 3.555 50 0 IHAARN CN(CCOc1ccc(Br)cc1)C(=O)CSc1nnc(NC2CC2)s1 ZINC000024988510 557187071 /nfs/dbraw/zinc/18/70/71/557187071.db2.gz NLDPZWHLHJGWJA-UHFFFAOYSA-N 0 0 443.392 3.504 50 0 IHAARN Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n(C)c21 ZINC000100821273 557187788 /nfs/dbraw/zinc/18/77/88/557187788.db2.gz AAXIONRUQSSFGN-LSJZCYCUSA-N 0 0 443.594 3.852 50 0 IHAARN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000009582733 557190376 /nfs/dbraw/zinc/19/03/76/557190376.db2.gz OAIKHDLHTAUPGH-MRXNPFEDSA-N 0 0 438.553 3.527 50 0 IHAARN CCc1nnc(SCC(=O)Nc2cc(Br)ccc2Br)n1C ZINC000009615024 557192090 /nfs/dbraw/zinc/19/20/90/557192090.db2.gz MAOXUVMMQDVCIT-UHFFFAOYSA-N 0 0 434.157 3.633 50 0 IHAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c12 ZINC000025092310 557195249 /nfs/dbraw/zinc/19/52/49/557195249.db2.gz HNTHJUPUSGRYIY-UHFFFAOYSA-N 0 0 439.479 3.577 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000025143043 557196547 /nfs/dbraw/zinc/19/65/47/557196547.db2.gz AWQTVUNPKWFFHM-HSZRJFAPSA-N 0 0 427.508 3.592 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000096318019 557199037 /nfs/dbraw/zinc/19/90/37/557199037.db2.gz OYYLZBTWMGJWRN-UHFFFAOYSA-N 0 0 449.894 3.762 50 0 IHAARN O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000025187721 557199367 /nfs/dbraw/zinc/19/93/67/557199367.db2.gz RKENTFOGMDZKDS-UHFFFAOYSA-N 0 0 445.913 3.901 50 0 IHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000025283824 557202382 /nfs/dbraw/zinc/20/23/82/557202382.db2.gz IZLNZBRKZRRVHV-FUHWJXTLSA-N 0 0 435.567 3.580 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccccc1OC ZINC000100938835 557202620 /nfs/dbraw/zinc/20/26/20/557202620.db2.gz JGYVYBICUAGJFL-OAQYLSRUSA-N 0 0 441.553 3.750 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1ccccc1OC ZINC000100938829 557202749 /nfs/dbraw/zinc/20/27/49/557202749.db2.gz KFCBHCWEPVJJEH-FQEVSTJZSA-N 0 0 427.526 3.502 50 0 IHAARN O=C(CSc1nnnn1C1CCCCC1)Nc1ccnn1Cc1ccccc1Cl ZINC000011579151 557203306 /nfs/dbraw/zinc/20/33/06/557203306.db2.gz BSCIOAUKCCJBDG-UHFFFAOYSA-N 0 0 431.953 3.807 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000100944666 557203438 /nfs/dbraw/zinc/20/34/38/557203438.db2.gz JFHAEWIPSDQMRS-FQEVSTJZSA-N 0 0 427.526 3.502 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cc(Cl)c(O)c(OC)c2)C[C@@H]1CCO ZINC000096791617 557205120 /nfs/dbraw/zinc/20/51/20/557205120.db2.gz AVXACDCWJKFLLD-IBGZPJMESA-N 0 0 434.964 3.522 50 0 IHAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCCN1CCOCC1 ZINC000025357881 557205837 /nfs/dbraw/zinc/20/58/37/557205837.db2.gz YQFNBSXXNRBVMP-VWLOTQADSA-N 0 0 448.592 3.836 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025392948 557207518 /nfs/dbraw/zinc/20/75/18/557207518.db2.gz KMYBOLKPMZNNDG-KSZLIROESA-N 0 0 437.565 3.561 50 0 IHAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000024903126 557209661 /nfs/dbraw/zinc/20/96/61/557209661.db2.gz PEVVCZWDGLXHOT-DEOSSOPVSA-N 0 0 442.519 3.902 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)CC3 ZINC000025453709 557210382 /nfs/dbraw/zinc/21/03/82/557210382.db2.gz DJHLUAGIPJWDID-DEOSSOPVSA-N 0 0 443.503 3.803 50 0 IHAARN O=C(COC(=O)c1sccc1-c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000010986716 557211397 /nfs/dbraw/zinc/21/13/97/557211397.db2.gz RSIPFNRCYAAOAH-UHFFFAOYSA-N 0 0 448.422 3.744 50 0 IHAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1)OCc1ccccc1 ZINC000025535989 557213527 /nfs/dbraw/zinc/21/35/27/557213527.db2.gz XHHPREQTUWBJTB-QHCPKHFHSA-N 0 0 428.492 3.717 50 0 IHAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000025560782 557214864 /nfs/dbraw/zinc/21/48/64/557214864.db2.gz KDSZSNNGAOOPDJ-AWEZNQCLSA-N 0 0 440.780 3.762 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000247798165 557219246 /nfs/dbraw/zinc/21/92/46/557219246.db2.gz SPKUQJMVPBZLSA-SXGZJXTBSA-N 0 0 428.579 3.849 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC ZINC000025613010 557219364 /nfs/dbraw/zinc/21/93/64/557219364.db2.gz MOBHPEFRXINQAI-QZTJIDSGSA-N 0 0 431.920 3.820 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 ZINC000011646095 557219498 /nfs/dbraw/zinc/21/94/98/557219498.db2.gz FDLZAAWCRDETHC-UHFFFAOYSA-N 0 0 442.946 3.794 50 0 IHAARN COc1cc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 ZINC000025622509 557220066 /nfs/dbraw/zinc/22/00/66/557220066.db2.gz NANJEQQGVBRPBT-NTKDMRAZSA-N 0 0 440.565 3.687 50 0 IHAARN CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1 ZINC000101079164 557226668 /nfs/dbraw/zinc/22/66/68/557226668.db2.gz PNUCXFSENRRZCA-HNNXBMFYSA-N 0 0 442.537 3.841 50 0 IHAARN CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(=O)[nH]1 ZINC000025902509 557229696 /nfs/dbraw/zinc/22/96/96/557229696.db2.gz BBOJHODRXKAPGG-HXUWFJFHSA-N 0 0 425.579 3.969 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCCn1c(=O)oc2ccccc21 ZINC000026013583 557232168 /nfs/dbraw/zinc/23/21/68/557232168.db2.gz YWKCPPNWILRKOQ-UHFFFAOYSA-N 0 0 445.928 3.787 50 0 IHAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(N)=O)c2)cc1 ZINC000100087019 557233932 /nfs/dbraw/zinc/23/39/32/557233932.db2.gz LCSHZQCYUXMVOB-GNVQSUKOSA-N 0 0 442.475 3.521 50 0 IHAARN CCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1S(=O)(=O)N(C)C ZINC000018089556 557235015 /nfs/dbraw/zinc/23/50/15/557235015.db2.gz QWEHQXMUJOFDFM-UHFFFAOYSA-N 0 0 434.533 3.925 50 0 IHAARN CC(=O)Nc1cccc(-n2c(SCCn3c4ccccc4oc3=O)nnc2C2CC2)c1 ZINC000026144000 557236322 /nfs/dbraw/zinc/23/63/22/557236322.db2.gz XXWMFRIQXVXQQC-UHFFFAOYSA-N 0 0 435.509 3.803 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000018120534 557238312 /nfs/dbraw/zinc/23/83/12/557238312.db2.gz DUILXPAJXXHCIJ-UHFFFAOYSA-N 0 0 431.414 3.930 50 0 IHAARN CN1c2cc(C(=O)NCc3ccc(Br)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000583649092 557240017 /nfs/dbraw/zinc/24/00/17/557240017.db2.gz WCIDSQPCNFFXRN-LJQANCHMSA-N 0 0 428.330 3.781 50 0 IHAARN Cc1ccc(SCCNC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000026396597 557240441 /nfs/dbraw/zinc/24/04/41/557240441.db2.gz GTJGMEGGYGZOBF-HNNXBMFYSA-N 0 0 431.945 3.714 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(C)o4)[C@H]3C2=O)cc1 ZINC000018144796 557243140 /nfs/dbraw/zinc/24/31/40/557243140.db2.gz OCZMTJMEJFNJHE-BHIFYINESA-N 0 0 446.459 3.734 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018157276 557244506 /nfs/dbraw/zinc/24/45/06/557244506.db2.gz BPUWXVFWPKWMHU-UHFFFAOYSA-N 0 0 435.487 3.566 50 0 IHAARN CSc1ccc(N2C[C@@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)cc1 ZINC000026555315 557244845 /nfs/dbraw/zinc/24/48/45/557244845.db2.gz SDRLDDAYLGFJHZ-FQEVSTJZSA-N 0 0 434.565 3.665 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000018180869 557246049 /nfs/dbraw/zinc/24/60/49/557246049.db2.gz PUHYPXJKWLHTTD-UHFFFAOYSA-N 0 0 436.434 3.682 50 0 IHAARN O=C([C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCOCC1 ZINC000026683007 557246486 /nfs/dbraw/zinc/24/64/86/557246486.db2.gz UYYMUZGRMQKJII-HXUWFJFHSA-N 0 0 440.594 3.958 50 0 IHAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000026923070 557251265 /nfs/dbraw/zinc/25/12/65/557251265.db2.gz YZNHVROMKWHQIY-WIOPSUGQSA-N 0 0 436.519 3.887 50 0 IHAARN COC(=O)C[C@H](c1cccc2ccccc21)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419626 557251927 /nfs/dbraw/zinc/25/19/27/557251927.db2.gz IPWPQNPNZSRZGP-OAQYLSRUSA-N 0 0 431.492 3.676 50 0 IHAARN Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000027023026 557255508 /nfs/dbraw/zinc/25/55/08/557255508.db2.gz YGXIWOCKKJSKLP-WOJGMQOQSA-N 0 0 429.328 3.870 50 0 IHAARN C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000027092979 557256853 /nfs/dbraw/zinc/25/68/53/557256853.db2.gz ZZTNUMNZZCFRCP-LBPRGKRZSA-N 0 0 440.352 3.765 50 0 IHAARN CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1F ZINC000101160546 557257477 /nfs/dbraw/zinc/25/74/77/557257477.db2.gz VYLBGMGVIPTLSV-UHFFFAOYSA-N 0 0 442.516 3.920 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000027241111 557259109 /nfs/dbraw/zinc/25/91/09/557259109.db2.gz BNSWAVAVIKTFFV-FQEVSTJZSA-N 0 0 445.441 3.516 50 0 IHAARN COc1cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc(Br)c1O ZINC000000819289 557261519 /nfs/dbraw/zinc/26/15/19/557261519.db2.gz DWTZHRXWMUTLHT-UHFFFAOYSA-N 0 0 425.367 3.634 50 0 IHAARN NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC000027398698 557261851 /nfs/dbraw/zinc/26/18/51/557261851.db2.gz IXCGWQDKRAJQMA-UHFFFAOYSA-N 0 0 442.497 3.640 50 0 IHAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2cn3ccccc3n2)CC1 ZINC000027495999 557262848 /nfs/dbraw/zinc/26/28/48/557262848.db2.gz QZDXKJPIIORCMN-UHFFFAOYSA-N 0 0 440.503 3.512 50 0 IHAARN CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000101261864 557265293 /nfs/dbraw/zinc/26/52/93/557265293.db2.gz ZAKUGGPVOJYUBM-AGKHESDQSA-N 0 0 428.457 3.787 50 0 IHAARN CCc1ccccc1N1C(=O)C(=Cc2ccccc2OCC(=O)N2CCCC2)NC1=S ZINC000012985522 557265962 /nfs/dbraw/zinc/26/59/62/557265962.db2.gz VLYIRAHTVVOMBN-XDJHFCHBSA-N 0 0 435.549 3.512 50 0 IHAARN COC(=O)C[C@@]1(C(=O)OC)SC(Nc2ccccc2)=NN1c1nc2ccccc2s1 ZINC000027586388 557266876 /nfs/dbraw/zinc/26/68/76/557266876.db2.gz VOFZLBGHCLVGSQ-FQEVSTJZSA-N 0 0 442.522 3.665 50 0 IHAARN Cc1cc(=O)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000027605741 557267491 /nfs/dbraw/zinc/26/74/91/557267491.db2.gz ZTNJMXIKPKKOCR-GOSISDBHSA-N 0 0 442.972 3.823 50 0 IHAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(c5cnccn5)CC4)cc3)sc2c1 ZINC000027638983 557267819 /nfs/dbraw/zinc/26/78/19/557267819.db2.gz USQXIRZAGVOVIB-UHFFFAOYSA-N 0 0 444.564 3.822 50 0 IHAARN COc1cc(Br)c(CC(=O)Nc2cc(NC(C)=O)ccc2F)cc1OC ZINC000023003450 557278272 /nfs/dbraw/zinc/27/82/72/557278272.db2.gz WCPQXIQFFCYEML-UHFFFAOYSA-N 0 0 425.254 3.745 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031317526 557282852 /nfs/dbraw/zinc/28/28/52/557282852.db2.gz BHTZRNJUPBSGAG-UHFFFAOYSA-N 0 0 445.235 3.982 50 0 IHAARN COc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828322 557299847 /nfs/dbraw/zinc/29/98/47/557299847.db2.gz WPSHCXLMGODWTO-UHFFFAOYSA-N 0 0 442.450 3.896 50 0 IHAARN CC[C@H](C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000014108862 557303764 /nfs/dbraw/zinc/30/37/64/557303764.db2.gz IHPBJRLMNCVUHT-LSDHHAIUSA-N 0 0 439.537 3.893 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sccc1-n1cccc1 ZINC000014168711 557313132 /nfs/dbraw/zinc/31/31/32/557313132.db2.gz IPOHTZASELONJF-UHFFFAOYSA-N 0 0 445.566 3.974 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014166362 557313207 /nfs/dbraw/zinc/31/32/07/557313207.db2.gz YCKYUAUCAMKAMQ-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1Cn1cnc2ccc(Br)cc2c1=O ZINC000014180448 557313378 /nfs/dbraw/zinc/31/33/78/557313378.db2.gz LOOUGUSIKDZSQS-UHFFFAOYSA-N 0 0 438.281 3.851 50 0 IHAARN COc1cccc(N(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c2nc3ccccc3s2)c1 ZINC000102305727 557316007 /nfs/dbraw/zinc/31/60/07/557316007.db2.gz GDKOTNQVBOOKBC-ROUUACIJSA-N 0 0 447.516 3.921 50 0 IHAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCCO3)cc1NC(=O)c1cnc(C)cn1 ZINC000032837318 557316839 /nfs/dbraw/zinc/31/68/39/557316839.db2.gz ZYZPPMHTWLKFLG-UHFFFAOYSA-N 0 0 425.466 3.714 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102258828 557316936 /nfs/dbraw/zinc/31/69/36/557316936.db2.gz OIWNRYWCWURPNN-FQEVSTJZSA-N 0 0 429.517 3.976 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 ZINC000032945394 557317843 /nfs/dbraw/zinc/31/78/43/557317843.db2.gz BXBYJVYFIMJFKZ-CQSZACIVSA-N 0 0 434.562 3.766 50 0 IHAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000033139825 557325674 /nfs/dbraw/zinc/32/56/74/557325674.db2.gz QFMSLWLTRBQUBY-UHFFFAOYSA-N 0 0 426.952 3.805 50 0 IHAARN COc1ccccc1/C=C/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000033162060 557327900 /nfs/dbraw/zinc/32/79/00/557327900.db2.gz ZOKKBAUCRVXIMO-QVOHYOOSSA-N 0 0 440.322 3.802 50 0 IHAARN O=C(c1cccnc1Oc1ccc(Br)cc1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000072313786 557336576 /nfs/dbraw/zinc/33/65/76/557336576.db2.gz KEIKNRWYHJPAII-CYBMUJFWSA-N 0 0 428.290 3.774 50 0 IHAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2OC)cc1OC ZINC000014610755 557345208 /nfs/dbraw/zinc/34/52/08/557345208.db2.gz QGOBCLZPECYZAH-UHFFFAOYSA-N 0 0 434.452 3.865 50 0 IHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000023335990 557348518 /nfs/dbraw/zinc/34/85/18/557348518.db2.gz MJWPHYMTKLTULB-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN CC[C@@H](C)C(=O)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000023334966 557349770 /nfs/dbraw/zinc/34/97/70/557349770.db2.gz UNUMBJFRUNGNNY-CYBMUJFWSA-N 0 0 433.343 3.793 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220697945 557364190 /nfs/dbraw/zinc/36/41/90/557364190.db2.gz UITSJYRIHLXKDY-LSDHHAIUSA-N 0 0 432.496 3.570 50 0 IHAARN CCn1c(=O)c2ccc(C(=O)NCCc3ccc(Br)s3)cc2[n-]c1=S ZINC000102692782 557364743 /nfs/dbraw/zinc/36/47/43/557364743.db2.gz WRJCTNJAZCRDLW-UHFFFAOYSA-N 0 0 438.372 3.502 50 0 IHAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000023563965 557366771 /nfs/dbraw/zinc/36/67/71/557366771.db2.gz PKSFQCIPERBGFZ-MBSDFSHPSA-N 0 0 434.540 3.903 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1 ZINC000102730228 557370948 /nfs/dbraw/zinc/37/09/48/557370948.db2.gz BXPASGIBSLOURW-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN O=C(NCC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1)OCc1ccccc1 ZINC000220920243 557371231 /nfs/dbraw/zinc/37/12/31/557371231.db2.gz ZGIVVTPGOSNOAS-KRWDZBQOSA-N 0 0 440.525 3.506 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023736276 557372682 /nfs/dbraw/zinc/37/26/82/557372682.db2.gz KLEYSMVNMUDBRA-UHFFFAOYSA-N 0 0 434.943 3.738 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000023908084 557379442 /nfs/dbraw/zinc/37/94/42/557379442.db2.gz JNOYBVUTYBDZCQ-RUZDIDTESA-N 0 0 449.551 3.982 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023995917 557390479 /nfs/dbraw/zinc/39/04/79/557390479.db2.gz WYJSVQSGZPUGKX-QFIPXVFZSA-N 0 0 446.576 3.905 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000011694068 557391910 /nfs/dbraw/zinc/39/19/10/557391910.db2.gz NGGIKRSXGICPQA-UHFFFAOYSA-N 0 0 445.441 3.741 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000011694475 557392477 /nfs/dbraw/zinc/39/24/77/557392477.db2.gz DWMFTQYXOIAVLU-UHFFFAOYSA-N 0 0 442.903 3.793 50 0 IHAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)n(C(C)C)n1 ZINC000011695175 557392866 /nfs/dbraw/zinc/39/28/66/557392866.db2.gz QRYHLYBHDWHVGK-UHFFFAOYSA-N 0 0 438.553 3.772 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2ccc(Cl)s2)o1 ZINC000011694691 557392996 /nfs/dbraw/zinc/39/29/96/557392996.db2.gz XDUMKXCSFPANFD-UHFFFAOYSA-N 0 0 443.909 3.707 50 0 IHAARN COc1ccc(OC)c2c1cc(C(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)n2C ZINC000072401430 557394683 /nfs/dbraw/zinc/39/46/83/557394683.db2.gz XSEMRWLOIVSEHH-UHFFFAOYSA-N 0 0 428.916 3.973 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCc3ccccn3)=CSC2=N1 ZINC000102849760 557395307 /nfs/dbraw/zinc/39/53/07/557395307.db2.gz VPYSDCMOTBFYBW-QFIPXVFZSA-N 0 0 448.548 3.926 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCc3ccncc3)=CSC2=N1 ZINC000102849755 557395321 /nfs/dbraw/zinc/39/53/21/557395321.db2.gz MGQWPDLKGJGQFP-QFIPXVFZSA-N 0 0 448.548 3.926 50 0 IHAARN O=C(NCc1ccco1)c1nnsc1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000033428938 557396765 /nfs/dbraw/zinc/39/67/65/557396765.db2.gz YQAJHNHYKVCCCS-UHFFFAOYSA-N 0 0 425.514 3.548 50 0 IHAARN COCCNC(=O)CCC(=O)Nc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)cc(C)c2c1 ZINC000004881812 557401193 /nfs/dbraw/zinc/40/11/93/557401193.db2.gz CBZLUCXROYIUJI-IRXDYDNUSA-N 0 0 426.561 3.507 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000033511736 557403704 /nfs/dbraw/zinc/40/37/04/557403704.db2.gz TVQQFBQDTOBVKN-UHFFFAOYSA-N 0 0 434.515 3.794 50 0 IHAARN O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Br)cc1 ZINC000033543749 557410223 /nfs/dbraw/zinc/41/02/23/557410223.db2.gz RFUHMNWFHIHGBM-UHFFFAOYSA-N 0 0 428.695 3.631 50 0 IHAARN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000408516273 557411921 /nfs/dbraw/zinc/41/19/21/557411921.db2.gz GJDVZVVKEPHOIN-GOSISDBHSA-N 0 0 437.500 3.509 50 0 IHAARN C[C@H](NC(=O)CCNC(=O)c1c[nH]c2ccccc12)[C@H](c1ccccc1Cl)n1cccn1 ZINC000408517533 557412358 /nfs/dbraw/zinc/41/23/58/557412358.db2.gz KXIHEWJPTQVNGN-QMHKHESXSA-N 0 0 449.942 3.932 50 0 IHAARN O=S(=O)(c1cccc2ncccc21)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000408518419 557412581 /nfs/dbraw/zinc/41/25/81/557412581.db2.gz GMTSWTAQVCVEEA-HNNXBMFYSA-N 0 0 448.342 3.767 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccco2)OCC3(C)C)c(=O)n(C)c1=O ZINC000033582160 557413952 /nfs/dbraw/zinc/41/39/52/557413952.db2.gz SXXKLLUJJBAWPY-HXUWFJFHSA-N 0 0 439.899 3.807 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O ZINC000103292354 557433449 /nfs/dbraw/zinc/43/34/49/557433449.db2.gz VAYMJXGNIUUPSG-LJQANCHMSA-N 0 0 448.350 3.765 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000096279968 557450408 /nfs/dbraw/zinc/45/04/08/557450408.db2.gz UVSFZJNALBGXEI-YADHBBJMSA-N 0 0 442.531 3.747 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)N(C)c2cccc(C)c2)cc1 ZINC000051316461 557464390 /nfs/dbraw/zinc/46/43/90/557464390.db2.gz OAPUDKRQDDWWCY-UHFFFAOYSA-N 0 0 449.536 3.571 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011325 557472814 /nfs/dbraw/zinc/47/28/14/557472814.db2.gz QJTVMBLYGZZRJA-LADGPHEKSA-N 0 0 433.552 3.948 50 0 IHAARN COc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccccc3)no2)c1N ZINC000046914219 557513566 /nfs/dbraw/zinc/51/35/66/557513566.db2.gz WCKDTDOBZZFBBH-UHFFFAOYSA-N 0 0 436.497 3.552 50 0 IHAARN O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817631 557522620 /nfs/dbraw/zinc/52/26/20/557522620.db2.gz RFMJRWIOWZQVRV-IBGZPJMESA-N 0 0 444.447 3.517 50 0 IHAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc(O)c1 ZINC000044973647 557541935 /nfs/dbraw/zinc/54/19/35/557541935.db2.gz QKUVNSOPDOVMBI-SFHVURJKSA-N 0 0 435.505 3.772 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000108521230 557542919 /nfs/dbraw/zinc/54/29/19/557542919.db2.gz ACYAAMZDIOLPGK-UAFMIMERSA-N 0 0 437.293 3.554 50 0 IHAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000045549048 557544220 /nfs/dbraw/zinc/54/42/20/557544220.db2.gz VMDZCNOZILLUDH-HXUWFJFHSA-N 0 0 431.496 3.600 50 0 IHAARN COc1ccc([C@@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccccc2)cc1 ZINC000045824034 557545952 /nfs/dbraw/zinc/54/59/52/557545952.db2.gz LHFKGOUJNYANPF-SQOUVECCSA-N 0 0 439.581 3.627 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(CC)cc2)cc(NC(=O)CC)c1=O ZINC000045896409 557545985 /nfs/dbraw/zinc/54/59/85/557545985.db2.gz BOUFGFUVMBYWNW-UHFFFAOYSA-N 0 0 448.523 3.859 50 0 IHAARN COc1cc(-c2nc(CSc3nc4c(c(=O)[nH]3)CCCC4)c(C)o2)cc(OC)c1OC ZINC000045924810 557549851 /nfs/dbraw/zinc/54/98/51/557549851.db2.gz KHLIQCJDZJIXSZ-UHFFFAOYSA-N 0 0 443.525 3.930 50 0 IHAARN CCOc1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N(CC)CC)cc32)cc1 ZINC000045960816 557554867 /nfs/dbraw/zinc/55/48/67/557554867.db2.gz CIHFJUQGWYENNI-UHFFFAOYSA-N 0 0 441.553 3.645 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3cccc(C)c3)CC2)c1C ZINC000045973893 557555759 /nfs/dbraw/zinc/55/57/59/557555759.db2.gz DWLTVVHMJOGZTP-UHFFFAOYSA-N 0 0 439.556 3.675 50 0 IHAARN O=C(Cc1csc(Cc2ccccn2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000040130473 557697966 /nfs/dbraw/zinc/69/79/66/557697966.db2.gz XPXCLTRNXUJUAL-UHFFFAOYSA-N 0 0 426.973 3.669 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3ccc4c3cccc4Br)CC2)c1 ZINC000040267417 557708174 /nfs/dbraw/zinc/70/81/74/557708174.db2.gz ZPCQRCOFDZFOFX-UHFFFAOYSA-N 0 0 428.330 3.761 50 0 IHAARN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000225437493 557722719 /nfs/dbraw/zinc/72/27/19/557722719.db2.gz QAUNMTRPUCZXIM-UHFFFAOYSA-N 0 0 440.569 3.990 50 0 IHAARN CCOc1ncccc1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000225452285 557724410 /nfs/dbraw/zinc/72/44/10/557724410.db2.gz IUUFBTKITKOPEP-UHFFFAOYSA-N 0 0 425.407 3.894 50 0 IHAARN COc1cc2c(cc1F)ncc(I)c2N1CC[C@@]2(CCOC2)C1 ZINC000225541965 557739244 /nfs/dbraw/zinc/73/92/44/557739244.db2.gz GWOGWIAEKRQNMU-QGZVFWFLSA-N 0 0 428.245 3.604 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000225547179 557740041 /nfs/dbraw/zinc/74/00/41/557740041.db2.gz FFHNARIXMAWRFO-FQEVSTJZSA-N 0 0 425.510 3.779 50 0 IHAARN CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000225549441 557740698 /nfs/dbraw/zinc/74/06/98/557740698.db2.gz AKYDNGOBAARNJY-UHFFFAOYSA-N 0 0 444.308 3.810 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3ncnn32)ccc1O ZINC000040485087 557756487 /nfs/dbraw/zinc/75/64/87/557756487.db2.gz PSKSQFXSYXWXOR-NRFANRHFSA-N 0 0 435.484 3.709 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000225833154 557782934 /nfs/dbraw/zinc/78/29/34/557782934.db2.gz AQFSEJRTGRDZNC-CQSZACIVSA-N 0 0 435.347 3.553 50 0 IHAARN O=C(Nc1cccc(I)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000024990552 557830376 /nfs/dbraw/zinc/83/03/76/557830376.db2.gz ZBUBLBWJRMQVKX-CQSZACIVSA-N 0 0 440.306 3.986 50 0 IHAARN CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2COCCN2C2CCCC2)n1)c1ccccc1 ZINC000239782353 557845014 /nfs/dbraw/zinc/84/50/14/557845014.db2.gz CNXUGKKHGCDSHS-MOPGFXCFSA-N 0 0 428.533 4.000 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nccs2)n1CC ZINC000034690048 557849077 /nfs/dbraw/zinc/84/90/77/557849077.db2.gz HNDFWLSCKUVVJY-UHFFFAOYSA-N 0 0 433.559 3.771 50 0 IHAARN O=C(OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2ccccn2)CC1 ZINC000085961418 557849803 /nfs/dbraw/zinc/84/98/03/557849803.db2.gz JJGMOFPQVDKGHB-UHFFFAOYSA-N 0 0 425.492 3.708 50 0 IHAARN COc1cc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc(OC)c1OC ZINC000000881695 557852945 /nfs/dbraw/zinc/85/29/45/557852945.db2.gz WSLPNWVGCWABKV-UHFFFAOYSA-N 0 0 437.521 3.825 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000884727 557854964 /nfs/dbraw/zinc/85/49/64/557854964.db2.gz GEYHFOJLPMQBCO-AEFFLSMTSA-N 0 0 432.450 3.858 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000000890698 557859119 /nfs/dbraw/zinc/85/91/19/557859119.db2.gz RBHFXZBTVWVOTL-AWEZNQCLSA-N 0 0 427.448 3.558 50 0 IHAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000018836881 557862201 /nfs/dbraw/zinc/86/22/01/557862201.db2.gz FLIVJUJUGXNBJH-UHFFFAOYSA-N 0 0 432.542 3.764 50 0 IHAARN Cc1c(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cnn1C ZINC000000902250 562919534 /nfs/dbraw/zinc/91/95/34/562919534.db2.gz AVUVTGFQHAYJDR-UHFFFAOYSA-N 0 0 425.436 3.548 50 0 IHAARN COc1cccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)c1 ZINC000001320927 562921232 /nfs/dbraw/zinc/92/12/32/562921232.db2.gz FHKIRCBBLHMABN-UHFFFAOYSA-N 0 0 434.477 3.578 50 0 IHAARN O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000001391932 562921639 /nfs/dbraw/zinc/92/16/39/562921639.db2.gz BAVXNQVXBSPKRG-UHFFFAOYSA-N 0 0 437.142 3.960 50 0 IHAARN CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002264753 562926705 /nfs/dbraw/zinc/92/67/05/562926705.db2.gz UVFRFIDUCQQZLS-UHFFFAOYSA-N 0 0 431.496 3.720 50 0 aggregator IHAARN CCOC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002300360 562926863 /nfs/dbraw/zinc/92/68/63/562926863.db2.gz HBOQATYKLUBMPY-INIZCTEOSA-N 0 0 435.761 3.896 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000002652533 562929353 /nfs/dbraw/zinc/92/93/53/562929353.db2.gz KRTJMXTZIKTTSD-AWEZNQCLSA-N 0 0 432.908 3.538 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000003191379 562932626 /nfs/dbraw/zinc/93/26/26/562932626.db2.gz STRYGTYNNDHPDP-KRWDZBQOSA-N 0 0 427.551 3.850 50 0 IHAARN COc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC ZINC000003237724 562933179 /nfs/dbraw/zinc/93/31/79/562933179.db2.gz OEQXKYVYYFJOOH-UHFFFAOYSA-N 0 0 427.425 3.823 50 0 IHAARN COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC ZINC000003260592 562933503 /nfs/dbraw/zinc/93/35/03/562933503.db2.gz VATIRPJYIXUWLL-UHFFFAOYSA-N 0 0 443.283 3.529 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000003288503 562933737 /nfs/dbraw/zinc/93/37/37/562933737.db2.gz HJSMEMZWPYUERT-UHFFFAOYSA-N 0 0 430.839 3.819 50 0 IHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)nnc1-c1ccco1 ZINC000003389058 562935079 /nfs/dbraw/zinc/93/50/79/562935079.db2.gz IISSNOKSMQMKTK-LLVKDONJSA-N 0 0 445.570 3.574 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc21 ZINC000003429099 562935729 /nfs/dbraw/zinc/93/57/29/562935729.db2.gz VXQXZJOVTNWPRZ-UHFFFAOYSA-N 0 0 441.491 3.928 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000003534018 562936416 /nfs/dbraw/zinc/93/64/16/562936416.db2.gz SRYFJOMVAXRWPZ-CVEARBPZSA-N 0 0 439.537 3.703 50 0 IHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccccc4)cc3[nH]c2=S)c(OC)c1 ZINC000003630142 562937022 /nfs/dbraw/zinc/93/70/22/562937022.db2.gz LQGJMRHFPYQLMP-UHFFFAOYSA-N 0 0 447.516 3.622 50 0 IHAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 ZINC000004079239 562941618 /nfs/dbraw/zinc/94/16/18/562941618.db2.gz OLYVBSNFFIAZHX-RUZDIDTESA-N 0 0 439.556 3.656 50 0 IHAARN CCc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183317 562942547 /nfs/dbraw/zinc/94/25/47/562942547.db2.gz IJMCCLDAFDTGGN-JOCHJYFZSA-N 0 0 429.582 3.967 50 0 IHAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000004295386 562943021 /nfs/dbraw/zinc/94/30/21/562943021.db2.gz LJUIHPXVUYBPKS-WOZUAGRISA-N 0 0 425.492 3.880 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc(OCC)cc1 ZINC000006153567 562946358 /nfs/dbraw/zinc/94/63/58/562946358.db2.gz ARPHYQWAPFMEEP-UHFFFAOYSA-N 0 0 447.582 3.858 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006509073 562946966 /nfs/dbraw/zinc/94/69/66/562946966.db2.gz JJESXDKFCYVCRX-QGZVFWFLSA-N 0 0 425.529 3.870 50 0 IHAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccccc3Cl)c(C)o2)c1 ZINC000006578042 562948029 /nfs/dbraw/zinc/94/80/29/562948029.db2.gz YXNVMQSZIZAJIX-LJAQVGFWSA-N 0 0 432.929 3.877 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006931224 562948616 /nfs/dbraw/zinc/94/86/16/562948616.db2.gz XBXCGLUVYVESRC-UHFFFAOYSA-N 0 0 425.554 3.923 50 0 IHAARN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000008588119 562950584 /nfs/dbraw/zinc/95/05/84/562950584.db2.gz ASQWRZVJVAUTPX-UHFFFAOYSA-N 0 0 430.555 3.931 50 0 aggregator IHAARN Cc1cc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)ccc1Br ZINC000008583881 562949880 /nfs/dbraw/zinc/94/98/80/562949880.db2.gz UWXJTHJTKYNBQW-UHFFFAOYSA-N 0 0 448.298 3.551 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NCc3ccccc3)c2n1 ZINC000008583882 562949911 /nfs/dbraw/zinc/94/99/11/562949911.db2.gz MHLRFCNZBAIFHJ-UHFFFAOYSA-N 0 0 445.906 3.906 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000008588342 562950646 /nfs/dbraw/zinc/95/06/46/562950646.db2.gz VWTCEWBFOPDCQZ-UHFFFAOYSA-N 0 0 445.928 3.691 50 0 IHAARN O=c1c2oc3ccccc3c2n(Cc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000008589158 562951058 /nfs/dbraw/zinc/95/10/58/562951058.db2.gz QYAUPSUHLHJVGG-UHFFFAOYSA-N 0 0 426.428 3.735 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008590067 562951414 /nfs/dbraw/zinc/95/14/14/562951414.db2.gz SCECBGZUNUEOGI-HXUWFJFHSA-N 0 0 431.554 3.560 50 0 IHAARN CCc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N3CCCCC3)c(O)c2c1 ZINC000008595104 562953236 /nfs/dbraw/zinc/95/32/36/562953236.db2.gz CUKNEUDRFZKKIA-UHFFFAOYSA-N 0 0 439.537 3.517 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1 ZINC000008595742 562953662 /nfs/dbraw/zinc/95/36/62/562953662.db2.gz JRWIXAYEKFHUDY-INIZCTEOSA-N 0 0 444.582 3.854 50 0 aggregator IHAARN CCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000008596575 562953836 /nfs/dbraw/zinc/95/38/36/562953836.db2.gz JTPIUOYHAJUNEO-UHFFFAOYSA-N 0 0 440.569 3.742 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NC[C@H](C)c1ccccc1 ZINC000008597263 562953948 /nfs/dbraw/zinc/95/39/48/562953948.db2.gz MZVHROOKJMGISS-KRWDZBQOSA-N 0 0 426.538 3.793 50 0 IHAARN O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccccc1Br ZINC000008605603 562956816 /nfs/dbraw/zinc/95/68/16/562956816.db2.gz AEXWIFGOAYQHMP-UHFFFAOYSA-N 0 0 448.323 3.999 50 0 IHAARN CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000008607029 562957213 /nfs/dbraw/zinc/95/72/13/562957213.db2.gz VWKKDMLJHNFADC-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN CCOc1ccc(N(C)S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000008608272 562957420 /nfs/dbraw/zinc/95/74/20/562957420.db2.gz RRTCNBRYTHBJQV-UHFFFAOYSA-N 0 0 447.601 3.738 50 0 IHAARN Cc1ccsc1CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008612034 562958926 /nfs/dbraw/zinc/95/89/26/562958926.db2.gz QWDCLXAIQKGWRV-OAHLLOKOSA-N 0 0 428.373 3.649 50 0 IHAARN COc1cccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008612139 562959003 /nfs/dbraw/zinc/95/90/03/562959003.db2.gz SWKSEOVXBSPNQG-GOSISDBHSA-N 0 0 427.522 3.888 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000008612288 562959156 /nfs/dbraw/zinc/95/91/56/562959156.db2.gz PATMJOBIWWWCRE-UHFFFAOYSA-N 0 0 448.500 3.866 50 0 aggregator IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000008612282 562959178 /nfs/dbraw/zinc/95/91/78/562959178.db2.gz BYZMCABVSZHHKO-KRWDZBQOSA-N 0 0 440.521 3.999 50 0 IHAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)NCCc1ccc(Cl)cc1 ZINC000008614259 562959615 /nfs/dbraw/zinc/95/96/15/562959615.db2.gz NDKSOVCRVLLIGX-UHFFFAOYSA-N 0 0 434.927 3.816 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nnc(SCc3cc(=O)c4ccccc4[nH]3)s2)cc1 ZINC000008617308 562959761 /nfs/dbraw/zinc/95/97/61/562959761.db2.gz SVKNBTPVRSUHMY-UHFFFAOYSA-N 0 0 438.534 3.998 50 0 IHAARN C[C@@H]1Cc2nc(SCC(=O)NCc3ccccc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000008623135 562959989 /nfs/dbraw/zinc/95/99/89/562959989.db2.gz PPLFMMHOSDTEFR-MRXNPFEDSA-N 0 0 437.590 3.737 50 0 IHAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc(C)cc(C)n1 ZINC000008654626 562960206 /nfs/dbraw/zinc/96/02/06/562960206.db2.gz NTDHRKVALLRDPX-OAHLLOKOSA-N 0 0 442.317 3.833 50 0 IHAARN Cc1cc2oc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl ZINC000008670717 562960706 /nfs/dbraw/zinc/96/07/06/562960706.db2.gz OGENFRZTSJHHEV-INIZCTEOSA-N 0 0 445.924 3.584 50 0 IHAARN O=S1(=O)C[C@@H]2N=C(N(Cc3ccc(F)cc3Cl)c3ccccc3F)S[C@@H]2C1 ZINC000008685135 562962328 /nfs/dbraw/zinc/96/23/28/562962328.db2.gz MNAGRIWQWCHDEM-DOTOQJQBSA-N 0 0 428.913 3.893 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1OCC ZINC000008685365 562962461 /nfs/dbraw/zinc/96/24/61/562962461.db2.gz HKTJKVFTQFRTBM-UHFFFAOYSA-N 0 0 431.558 3.715 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000008692581 562963608 /nfs/dbraw/zinc/96/36/08/562963608.db2.gz MCAHGHDXKXMLAK-UHFFFAOYSA-N 0 0 446.422 3.804 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000008692802 562963666 /nfs/dbraw/zinc/96/36/66/562963666.db2.gz RTSMMQHLPOROTH-UHFFFAOYSA-N 0 0 438.546 3.740 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000008692852 562963691 /nfs/dbraw/zinc/96/36/91/562963691.db2.gz MXJYBHVYFCOGNA-UHFFFAOYSA-N 0 0 426.542 3.772 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCCn4ccnc4)ccc32)cc1 ZINC000008791163 562964261 /nfs/dbraw/zinc/96/42/61/562964261.db2.gz VXJGZXNPBUVEMN-QGZVFWFLSA-N 0 0 447.491 3.639 50 0 biogenic IHAARN CSc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1 ZINC000008828539 562964558 /nfs/dbraw/zinc/96/45/58/562964558.db2.gz PFPCRPDGIWIPTH-UHFFFAOYSA-N 0 0 427.599 3.626 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008828959 562964635 /nfs/dbraw/zinc/96/46/35/562964635.db2.gz DHQXUKWRSTWPTM-UHFFFAOYSA-N 0 0 445.438 3.819 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008862234 562965524 /nfs/dbraw/zinc/96/55/24/562965524.db2.gz WMIKHFXEXYWSPW-UHFFFAOYSA-N 0 0 432.455 3.763 50 0 IHAARN CC(C)(C)n1nc2c(c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000008910080 562965916 /nfs/dbraw/zinc/96/59/16/562965916.db2.gz IXYROXPXELZPHF-UHFFFAOYSA-N 0 0 425.938 3.516 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 ZINC000008912466 562966002 /nfs/dbraw/zinc/96/60/02/562966002.db2.gz LDMLISJOXDXROQ-UHFFFAOYSA-N 0 0 442.628 3.704 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000009058064 562966730 /nfs/dbraw/zinc/96/67/30/562966730.db2.gz AFLYKWOMRXZOBD-UHFFFAOYSA-N 0 0 428.492 3.932 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)cc1OC ZINC000009115101 562967088 /nfs/dbraw/zinc/96/70/88/562967088.db2.gz IHSNXPWBJCURCK-UHFFFAOYSA-N 0 0 442.537 3.610 50 0 biogenic IHAARN O=C(COC(=O)c1ccccc1NCCO)N(CCc1ccccc1)Cc1ccccc1 ZINC000009162944 562967900 /nfs/dbraw/zinc/96/79/00/562967900.db2.gz HZMWMGUHLZAIDO-UHFFFAOYSA-N 0 0 432.520 3.519 50 0 IHAARN CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OCC ZINC000009317051 562969293 /nfs/dbraw/zinc/96/92/93/562969293.db2.gz QEVRGHWMUOIEFE-UHFFFAOYSA-N 0 0 446.569 3.840 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)cc1C ZINC000009391561 562969815 /nfs/dbraw/zinc/96/98/15/562969815.db2.gz UZDFUZJWHZNWRR-UHFFFAOYSA-N 0 0 433.892 3.962 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 ZINC000009414974 562970395 /nfs/dbraw/zinc/97/03/95/562970395.db2.gz SCMNCCVMPAGXRU-UHFFFAOYSA-N 0 0 436.472 3.620 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000009464170 562971529 /nfs/dbraw/zinc/97/15/29/562971529.db2.gz RAEVQHQAAYUQED-UHFFFAOYSA-N 0 0 430.888 3.575 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1CCCCC1 ZINC000009492410 562972134 /nfs/dbraw/zinc/97/21/34/562972134.db2.gz NPYCZKDKBANKQD-QGZVFWFLSA-N 0 0 427.408 3.997 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(C)noc2C)c1 ZINC000009632183 562974480 /nfs/dbraw/zinc/97/44/80/562974480.db2.gz VXXTWUAGWZAUSH-UHFFFAOYSA-N 0 0 429.498 3.768 50 0 IHAARN CSCC[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000009662857 562974933 /nfs/dbraw/zinc/97/49/33/562974933.db2.gz WRXQWTUTPGYSHI-SFHVURJKSA-N 0 0 430.961 3.947 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1 ZINC000009712457 562975740 /nfs/dbraw/zinc/97/57/40/562975740.db2.gz YXTQYBYLVKBDDW-UHFFFAOYSA-N 0 0 427.504 3.941 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2SCC(=O)N2CCCC2)c(C)c1 ZINC000009871589 562977710 /nfs/dbraw/zinc/97/77/10/562977710.db2.gz ONJYHIDMIRGYIA-UHFFFAOYSA-N 0 0 439.581 3.695 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009952213 562977823 /nfs/dbraw/zinc/97/78/23/562977823.db2.gz BHLHNOKPRZOWCK-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010290838 562978622 /nfs/dbraw/zinc/97/86/22/562978622.db2.gz XDFDAVZFNOYQLE-KRWDZBQOSA-N 0 0 426.460 3.580 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)cc1OCC ZINC000012851520 562983248 /nfs/dbraw/zinc/98/32/48/562983248.db2.gz HWNSJSNISLQGHU-LJQANCHMSA-N 0 0 440.540 3.595 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012998528 562983848 /nfs/dbraw/zinc/98/38/48/562983848.db2.gz TYDQWNNCMYOMKU-UHFFFAOYSA-N 0 0 429.929 3.690 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCOc1cc(C)ccc1C ZINC000013108578 562984439 /nfs/dbraw/zinc/98/44/39/562984439.db2.gz VQFACEYMQYVHIY-UHFFFAOYSA-N 0 0 446.569 3.894 50 0 IHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c(OC)c1OC ZINC000013123542 562984718 /nfs/dbraw/zinc/98/47/18/562984718.db2.gz DLRSLEKUDPUDKO-HXUWFJFHSA-N 0 0 449.511 3.848 50 0 IHAARN COc1ccc(C(=O)NC(=Cc2cccnc2)C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000013615767 562998188 /nfs/dbraw/zinc/99/81/88/562998188.db2.gz YTYKSGGXHYXALY-CIAFOILYSA-N 0 0 445.475 3.711 50 0 IHAARN O=C(NCCNC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013854869 563012275 /nfs/dbraw/zinc/01/22/75/563012275.db2.gz LDNGJNCVOLPIHK-UHFFFAOYSA-N 0 0 439.874 3.891 50 0 IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 ZINC000016042614 563020680 /nfs/dbraw/zinc/02/06/80/563020680.db2.gz UASRKLJYYNKBMR-RCZVLFRGSA-N 0 0 431.536 3.908 50 0 IHAARN COc1cccc(C(=O)C[C@H]2c3c(OC)c4c(c(Br)c3CCN2C)OCO4)c1 ZINC000020410434 563024721 /nfs/dbraw/zinc/02/47/21/563024721.db2.gz CJTFTLNERNIELR-HNNXBMFYSA-N 0 0 448.313 3.997 50 0 biogenic IHAARN COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 ZINC000027314040 563041440 /nfs/dbraw/zinc/04/14/40/563041440.db2.gz AZSJHQOTGPUNMV-UHFFFAOYSA-N 0 0 446.569 3.541 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000031463794 563083345 /nfs/dbraw/zinc/08/33/45/563083345.db2.gz YOAOXHQTCKSPIM-IBGZPJMESA-N 0 0 437.540 3.624 50 0 IHAARN FC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)c1 ZINC000058024086 563143266 /nfs/dbraw/zinc/14/32/66/563143266.db2.gz ZNPARZBIIOGREU-UHFFFAOYSA-N 0 0 432.402 3.806 50 0 IHAARN CC1CCN(c2ccc(-c3noc(C(=O)NCCc4nc5cc(F)ccc5[nH]4)n3)cc2)CC1 ZINC000085807877 568625432 /nfs/dbraw/zinc/62/54/32/568625432.db2.gz UQADHQOUWDZNDI-UHFFFAOYSA-N 0 0 448.502 3.961 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 ZINC000025065885 568626978 /nfs/dbraw/zinc/62/69/78/568626978.db2.gz JZPVGYXGLRMRED-IBDYFIJFSA-N 0 0 433.961 3.567 50 0 IHAARN C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000015043570 568634498 /nfs/dbraw/zinc/63/44/98/568634498.db2.gz SHZIIRHXBSCNRY-HBTBGPTKSA-N 0 0 442.464 3.604 50 0 biogenic IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000000929253 568637736 /nfs/dbraw/zinc/63/77/36/568637736.db2.gz OZFPDBSBYQCVPE-UHFFFAOYSA-N 0 0 433.493 3.723 50 0 IHAARN O=C(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1)NC1CC1 ZINC000025140075 568639307 /nfs/dbraw/zinc/63/93/07/568639307.db2.gz PZADBMNVBUXYKA-UHFFFAOYSA-N 0 0 427.526 3.939 50 0 IHAARN CC(=O)c1sc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)nc1C ZINC000000941440 568641701 /nfs/dbraw/zinc/64/17/01/568641701.db2.gz XQSGKHNMELRKDV-SFHVURJKSA-N 0 0 433.489 3.500 50 0 IHAARN Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3C2=O)c1C ZINC000000952514 568645496 /nfs/dbraw/zinc/64/54/96/568645496.db2.gz LNLOYGRUWCMSJW-UHFFFAOYSA-N 0 0 428.444 3.900 50 0 IHAARN Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000000990486 568648574 /nfs/dbraw/zinc/64/85/74/568648574.db2.gz FLUWSVPEMHQCGP-UHFFFAOYSA-N 0 0 435.549 3.758 50 0 IHAARN O=C1CCC(=O)N1c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000983362 568648855 /nfs/dbraw/zinc/64/88/55/568648855.db2.gz HNLHFJRQOZHWAL-CVQXOBEKSA-N 0 0 448.478 3.737 50 0 IHAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(N5CCOCC5)nc4)cc3)nc12 ZINC000025323739 568653477 /nfs/dbraw/zinc/65/34/77/568653477.db2.gz PFPVVHXWIMYMHC-UHFFFAOYSA-N 0 0 443.507 3.706 50 0 IHAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000025367565 568654717 /nfs/dbraw/zinc/65/47/17/568654717.db2.gz ZAFRLTPJGPHDLA-UHFFFAOYSA-N 0 0 426.542 3.636 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(Nc2ncccn2)c1)CC3 ZINC000025455703 568659099 /nfs/dbraw/zinc/65/90/99/568659099.db2.gz IBFNOCIWEKFQPJ-UHFFFAOYSA-N 0 0 427.464 3.687 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001103757 568660241 /nfs/dbraw/zinc/66/02/41/568660241.db2.gz GNYVFMOQNBTOML-UHFFFAOYSA-N 0 0 440.521 3.819 50 0 IHAARN COc1ccc(-c2csc3ncnc(NCCc4ccc(S(N)(=O)=O)cc4)c23)cc1 ZINC000015207872 568732216 /nfs/dbraw/zinc/73/22/16/568732216.db2.gz YFGYLZHVDRZKIO-UHFFFAOYSA-N 0 0 440.550 3.669 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Br)c1OC(C)=O ZINC000015216887 568732344 /nfs/dbraw/zinc/73/23/44/568732344.db2.gz KKPYOAZSYJHENR-NVNXTCNLSA-N 0 0 434.217 3.867 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000005950872 568739326 /nfs/dbraw/zinc/73/93/26/568739326.db2.gz PGAUFZFABIWHQO-UHFFFAOYSA-N 0 0 430.614 3.743 50 0 IHAARN O=C(Cn1cnc2sccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000031641045 568741365 /nfs/dbraw/zinc/74/13/65/568741365.db2.gz BAYZOFKZOUJTOS-UHFFFAOYSA-N 0 0 427.489 3.949 50 0 IHAARN CCc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000003277087 568744809 /nfs/dbraw/zinc/74/48/09/568744809.db2.gz WUWDFTJKSXAGNT-UHFFFAOYSA-N 0 0 431.492 3.546 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000044003852 568745479 /nfs/dbraw/zinc/74/54/79/568745479.db2.gz YLFCFIDUVSALOR-UHFFFAOYSA-N 0 0 426.582 3.529 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000003372476 568748147 /nfs/dbraw/zinc/74/81/47/568748147.db2.gz VPMVMPXODFPYOW-UHFFFAOYSA-N 0 0 433.489 3.971 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000003372656 568748322 /nfs/dbraw/zinc/74/83/22/568748322.db2.gz SVHSQVHIHDAXBV-UHFFFAOYSA-N 0 0 448.504 3.727 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCC(C)CC4)cc3C2=O)c1 ZINC000003471897 568750009 /nfs/dbraw/zinc/75/00/09/568750009.db2.gz OCRBXBGDQVPOHE-UHFFFAOYSA-N 0 0 434.492 3.519 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1OC ZINC000003493900 568750217 /nfs/dbraw/zinc/75/02/17/568750217.db2.gz DTLMKFKAWFQKQI-UHFFFAOYSA-N 0 0 427.526 3.801 50 0 IHAARN COC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccc(F)cc2)=N1 ZINC000003618101 568751500 /nfs/dbraw/zinc/75/15/00/568751500.db2.gz PBIRLXWFIBNXAA-OAHLLOKOSA-N 0 0 432.171 3.524 50 0 IHAARN C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000019161215 568752603 /nfs/dbraw/zinc/75/26/03/568752603.db2.gz NAQKVVSBDSUHRQ-KBPBESRZSA-N 0 0 428.872 3.548 50 0 IHAARN COc1ccc(S(=O)(=O)N(C(C)=O)c2cc3sc(=O)oc3c3ccccc32)cc1 ZINC000003653859 568753021 /nfs/dbraw/zinc/75/30/21/568753021.db2.gz YCJRTKDGBCCKBT-UHFFFAOYSA-N 0 0 429.475 3.758 50 0 IHAARN CCOC(=O)N[C@@](Nc1ccc(OC(F)(F)Cl)cc1)(C(=O)OCC)C(F)(F)F ZINC000003672611 568754297 /nfs/dbraw/zinc/75/42/97/568754297.db2.gz DPXDMGABDLXUHY-ZDUSSCGKSA-N 0 0 434.745 3.834 50 0 IHAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)NCCc4cccnc4)c3C3CC3)n2)c1 ZINC000299756198 568755199 /nfs/dbraw/zinc/75/51/99/568755199.db2.gz DMNWOGMNEAQVKD-UHFFFAOYSA-N 0 0 440.507 3.583 50 0 IHAARN O=C([O-])c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CC[NH+](CCO)CC1 ZINC000299792903 568757715 /nfs/dbraw/zinc/75/77/15/568757715.db2.gz GROWBKCOGDHPGI-UHFFFAOYSA-N 0 0 433.533 3.929 50 0 IHAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cc(C)no4)c3C3CC3)n2)cc1F ZINC000299795619 568757989 /nfs/dbraw/zinc/75/79/89/568757989.db2.gz MJMWPJUABVBSRV-UHFFFAOYSA-N 0 0 448.458 3.581 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000263588450 568761010 /nfs/dbraw/zinc/76/10/10/568761010.db2.gz UHTCBJIFALUOAL-UHFFFAOYSA-N 0 0 442.943 3.830 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000015390787 568761367 /nfs/dbraw/zinc/76/13/67/568761367.db2.gz OBLVRCSMNIROHH-FQEVSTJZSA-N 0 0 434.989 3.941 50 0 IHAARN COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391043 568761447 /nfs/dbraw/zinc/76/14/47/568761447.db2.gz YDIQHWQVGWDLFW-SFHVURJKSA-N 0 0 436.961 3.598 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccc2Cl)cc1 ZINC000015391221 568761596 /nfs/dbraw/zinc/76/15/96/568761596.db2.gz JHTYDYNQLTWJHQ-QGZVFWFLSA-N 0 0 436.961 3.598 50 0 IHAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000015435018 568762106 /nfs/dbraw/zinc/76/21/06/568762106.db2.gz NEEFNKIZALBCJL-INIZCTEOSA-N 0 0 429.325 3.703 50 0 IHAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001243729 568774737 /nfs/dbraw/zinc/77/47/37/568774737.db2.gz LSCKGEMWQVDRCI-GOSISDBHSA-N 0 0 443.912 3.770 50 0 IHAARN O=C1NC[C@@H](NCc2cccc(Br)c2)n2nc(-c3ccc(Cl)cc3)cc21 ZINC000263617542 568777303 /nfs/dbraw/zinc/77/73/03/568777303.db2.gz OHGGREGNOWJSIP-SFHVURJKSA-N 0 0 431.721 3.998 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c3CO2)cc1 ZINC000263618557 568777624 /nfs/dbraw/zinc/77/76/24/568777624.db2.gz UIIIIBASGOYFOP-QGZVFWFLSA-N 0 0 434.374 3.709 50 0 IHAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000263619500 568778167 /nfs/dbraw/zinc/77/81/67/568778167.db2.gz YXUIWLJLZGPKQB-UHFFFAOYSA-N 0 0 446.414 3.731 50 0 IHAARN C[C@@H](Sc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3)C(=O)Nc1ccccc1 ZINC000001306054 568779162 /nfs/dbraw/zinc/77/91/62/568779162.db2.gz GEKIMBWRYIPDRR-GFCCVEGCSA-N 0 0 439.566 3.641 50 0 IHAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)NCc1ccccc1 ZINC000001320832 568779859 /nfs/dbraw/zinc/77/98/59/568779859.db2.gz UNRGHWQGHLDWCC-UHFFFAOYSA-N 0 0 446.532 3.891 50 0 IHAARN Cc1oc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2c1C(=O)OC(C)C ZINC000001320757 568779885 /nfs/dbraw/zinc/77/98/85/568779885.db2.gz VHUABPXOXPCIBH-UHFFFAOYSA-N 0 0 444.465 3.552 50 0 IHAARN CC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000032100737 568780575 /nfs/dbraw/zinc/78/05/75/568780575.db2.gz IXAKPYLUZMFMJM-LNJOJYBOSA-N 0 0 432.524 3.583 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401328 568786365 /nfs/dbraw/zinc/78/63/65/568786365.db2.gz RFQTWTQIGZPKJJ-INIZCTEOSA-N 0 0 445.285 3.519 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401386 568786536 /nfs/dbraw/zinc/78/65/36/568786536.db2.gz CINZBXUZNSLZQR-MRXNPFEDSA-N 0 0 443.750 3.894 50 0 IHAARN O=C(Nc1ccc(O)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016622419 568786614 /nfs/dbraw/zinc/78/66/14/568786614.db2.gz HTFGDEJQTIOWRN-UHFFFAOYSA-N 0 0 429.325 3.738 50 0 IHAARN COc1ccc(CS(=O)(=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001403475 568786719 /nfs/dbraw/zinc/78/67/19/568786719.db2.gz NUCMULZVRPREDF-UHFFFAOYSA-N 0 0 445.562 3.822 50 0 IHAARN Cn1ncc2c3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](c4cccs4)N5)nn3cnc21 ZINC000002802457 568789493 /nfs/dbraw/zinc/78/94/93/568789493.db2.gz YUUSYKXMQBOZFY-MFKMUULPSA-N 0 0 445.434 3.596 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1(N2C(=O)C[C@@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000001412072 568789550 /nfs/dbraw/zinc/78/95/50/568789550.db2.gz YXMNAIWBHCCPPM-QGZVFWFLSA-N 0 0 436.464 3.759 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000015514647 568796263 /nfs/dbraw/zinc/79/62/63/568796263.db2.gz FLBSYZFJPTWTKQ-UHFFFAOYSA-N 0 0 426.929 3.635 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000015584356 568799022 /nfs/dbraw/zinc/79/90/22/568799022.db2.gz JTAKMCCVLUGHHX-BZUAXINKSA-N 0 0 448.972 3.729 50 0 IHAARN O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000084595008 568799043 /nfs/dbraw/zinc/79/90/43/568799043.db2.gz KVNHLXSVQYEYTD-PKOBYXMFSA-N 0 0 426.513 3.742 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nn(-c3ncccn3)cc2Br)cc1 ZINC000084726833 568800503 /nfs/dbraw/zinc/80/05/03/568800503.db2.gz IWPFIAFKNPXWNB-GFCCVEGCSA-N 0 0 436.335 3.739 50 0 IHAARN C[C@@H]1Sc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2NC1=O ZINC000015677323 568804434 /nfs/dbraw/zinc/80/44/34/568804434.db2.gz FUVAWFCNWFAECB-JTQLQIEISA-N 0 0 427.345 3.707 50 0 IHAARN COc1cccc(CNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c1 ZINC000015677925 568804993 /nfs/dbraw/zinc/80/49/93/568804993.db2.gz ZEVLDRUQWJCTOW-QHCPKHFHSA-N 0 0 431.492 3.654 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000015680731 568806456 /nfs/dbraw/zinc/80/64/56/568806456.db2.gz IWLYBAIEGRLBGX-UHFFFAOYSA-N 0 0 429.307 3.982 50 0 IHAARN Cc1oc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)nc1COc1ccccc1 ZINC000015682073 568806903 /nfs/dbraw/zinc/80/69/03/568806903.db2.gz HXGCBQIGIFMLQY-UHFFFAOYSA-N 0 0 435.524 3.681 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCc1cccs1 ZINC000015722617 568812301 /nfs/dbraw/zinc/81/23/01/568812301.db2.gz CUJDNWLHYPWLEN-UHFFFAOYSA-N 0 0 445.610 3.626 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCc5ccccc54)CC3)n2)cc1OC ZINC000015726419 568812560 /nfs/dbraw/zinc/81/25/60/568812560.db2.gz RDBCKEVGJVHALC-UHFFFAOYSA-N 0 0 448.523 3.555 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)cc4)CC3)n2)cc1OC ZINC000015726471 568812566 /nfs/dbraw/zinc/81/25/66/568812566.db2.gz LBJNYHORHDSXME-UHFFFAOYSA-N 0 0 436.512 3.913 50 0 IHAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)Nc1ccc(C)cc1Br ZINC000015727630 568812597 /nfs/dbraw/zinc/81/25/97/568812597.db2.gz IFVLEVLRGAQNQC-UHFFFAOYSA-N 0 0 431.290 3.691 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 ZINC000015728504 568813221 /nfs/dbraw/zinc/81/32/21/568813221.db2.gz FAQBBOCKXHAHLG-UHFFFAOYSA-N 0 0 425.536 3.995 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc2S1 ZINC000015730968 568814490 /nfs/dbraw/zinc/81/44/90/568814490.db2.gz ISMVLPSDOQLYEN-LLVKDONJSA-N 0 0 441.372 3.750 50 0 IHAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cccc(OC)c1OCc1ccccc1F ZINC000085413606 568818877 /nfs/dbraw/zinc/81/88/77/568818877.db2.gz GXQQVEWWWFSXQW-KNQAVFIVSA-N 0 0 440.423 3.741 50 0 IHAARN CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OCc1ccccc1 ZINC000001467267 568820454 /nfs/dbraw/zinc/82/04/54/568820454.db2.gz RJQALYGCSNAPAU-OAQYLSRUSA-N 0 0 426.538 3.972 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)CCC)c3)cc2=O)s1 ZINC000015771911 568822638 /nfs/dbraw/zinc/82/26/38/568822638.db2.gz MYLYXYNPFKHAOV-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN CCOc1ccccc1NC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776392 568823746 /nfs/dbraw/zinc/82/37/46/568823746.db2.gz RUQJFRIPNRMOHQ-UHFFFAOYSA-N 0 0 434.475 3.846 50 0 IHAARN COc1cc(OC)c([C@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)cc1OC ZINC000085587504 568825379 /nfs/dbraw/zinc/82/53/79/568825379.db2.gz HGGRTDGNFYKAOM-HXUWFJFHSA-N 0 0 442.497 3.572 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000015781365 568825777 /nfs/dbraw/zinc/82/57/77/568825777.db2.gz GENZBZVXXSDPOD-UHFFFAOYSA-N 0 0 428.963 3.633 50 0 IHAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)Nc2ccc(F)cc2F)c2ccccc21 ZINC000015784102 568826745 /nfs/dbraw/zinc/82/67/45/568826745.db2.gz HDZYXZWZHXUUTG-UHFFFAOYSA-N 0 0 435.434 3.695 50 0 IHAARN COc1ccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1Cl ZINC000085598118 568827477 /nfs/dbraw/zinc/82/74/77/568827477.db2.gz YNOCATSXWYXQQI-UHFFFAOYSA-N 0 0 439.965 3.966 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000085712486 568835566 /nfs/dbraw/zinc/83/55/66/568835566.db2.gz HLMGRRKEOQNWLS-UHFFFAOYSA-N 0 0 434.489 3.931 50 0 IHAARN CCOC(=O)c1ccc(COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000100353235 568837126 /nfs/dbraw/zinc/83/71/26/568837126.db2.gz ZFDITCICVGFDRN-SFTDATJTSA-N 0 0 433.460 3.676 50 0 IHAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(C)cc1 ZINC000015832878 568842167 /nfs/dbraw/zinc/84/21/67/568842167.db2.gz WLOQZSGRBMAWLU-NRFANRHFSA-N 0 0 427.526 3.974 50 0 IHAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCCSc1ccccc1 ZINC000015832888 568842219 /nfs/dbraw/zinc/84/22/19/568842219.db2.gz YELGGMRUBAFBJZ-HXUWFJFHSA-N 0 0 445.566 3.867 50 0 IHAARN CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858462 568846570 /nfs/dbraw/zinc/84/65/70/568846570.db2.gz DMMCQHCPMAOGKD-CQSZACIVSA-N 0 0 449.960 3.751 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000015860839 568848038 /nfs/dbraw/zinc/84/80/38/568848038.db2.gz SFXYZAJZGXLCKO-UHFFFAOYSA-N 0 0 440.525 3.512 50 0 IHAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015867970 568851463 /nfs/dbraw/zinc/85/14/63/568851463.db2.gz JCFRCLXMDCZFBQ-IBGZPJMESA-N 0 0 426.480 3.906 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(OC)ccc3OC)cs2)cc1 ZINC000015881015 568854455 /nfs/dbraw/zinc/85/44/55/568854455.db2.gz HKWUAUIFZCEVAP-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN O=C(c1cccc(Br)c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000015882364 568856431 /nfs/dbraw/zinc/85/64/31/568856431.db2.gz WRAIQFBJOHWDJF-UHFFFAOYSA-N 0 0 438.329 3.945 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000015882725 568857254 /nfs/dbraw/zinc/85/72/54/568857254.db2.gz NIJYKOJEJINCIC-UHFFFAOYSA-N 0 0 442.526 3.871 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000015882724 568857269 /nfs/dbraw/zinc/85/72/69/568857269.db2.gz HWWJQYFKCSSTJM-UHFFFAOYSA-N 0 0 443.510 3.700 50 0 IHAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCCc3ccccc32)n1 ZINC000015882740 568857283 /nfs/dbraw/zinc/85/72/83/568857283.db2.gz MOQIEUOEEPFUAR-UHFFFAOYSA-N 0 0 439.519 3.692 50 0 IHAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccccc3OC)s2)cc1 ZINC000015882681 568857322 /nfs/dbraw/zinc/85/73/22/568857322.db2.gz YGQKATNFDXANGB-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc(Cl)cc1 ZINC000015882771 568857404 /nfs/dbraw/zinc/85/74/04/568857404.db2.gz UVRXQEBTABTRQR-UHFFFAOYSA-N 0 0 426.929 3.560 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1Cl ZINC000015949213 568859472 /nfs/dbraw/zinc/85/94/72/568859472.db2.gz YNGZNPGICQGQBP-UHFFFAOYSA-N 0 0 443.670 3.899 50 0 IHAARN CN1c2ccccc2N(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)S1(=O)=O ZINC000575414210 568860997 /nfs/dbraw/zinc/86/09/97/568860997.db2.gz SGKZASQCGHUCAL-UHFFFAOYSA-N 0 0 425.476 3.871 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000016010003 568862685 /nfs/dbraw/zinc/86/26/85/568862685.db2.gz LBWIHUGBZUIVRN-SECBINFHSA-N 0 0 436.317 3.936 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1 ZINC000012938590 568867903 /nfs/dbraw/zinc/86/79/03/568867903.db2.gz JUOMVNOMWBQBDW-LJQANCHMSA-N 0 0 429.524 3.972 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000012939429 568868725 /nfs/dbraw/zinc/86/87/25/568868725.db2.gz HHHDIFZAHZXOQI-CYBMUJFWSA-N 0 0 437.518 3.891 50 0 IHAARN NC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000016047959 568869255 /nfs/dbraw/zinc/86/92/55/568869255.db2.gz QTASVJYBWRIWHV-UHFFFAOYSA-N 0 0 440.974 3.572 50 0 IHAARN CC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1ccccc1 ZINC000016097367 568870296 /nfs/dbraw/zinc/87/02/96/568870296.db2.gz IETCMJLRSHRBQN-IZQLPPHKSA-N 0 0 438.505 3.762 50 0 IHAARN Cc1cc(NC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)ccc1N1CCCC1=O ZINC000012944498 568870496 /nfs/dbraw/zinc/87/04/96/568870496.db2.gz ZTCSRIBMQWNJAC-QFIPXVFZSA-N 0 0 440.519 3.723 50 0 IHAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016201744 568872749 /nfs/dbraw/zinc/87/27/49/568872749.db2.gz LXJFOLCZHWGXAN-UHFFFAOYSA-N 0 0 446.326 3.719 50 0 IHAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2Br)c2cccs2)n1 ZINC000575610048 568878888 /nfs/dbraw/zinc/87/88/88/568878888.db2.gz JLHWRCJXFXMFPE-OAHLLOKOSA-N 0 0 440.388 3.892 50 0 IHAARN CC(C)c1ccc(OCC(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1 ZINC000575611676 568879158 /nfs/dbraw/zinc/87/91/58/568879158.db2.gz FTUJJJXGSANEOU-GOSISDBHSA-N 0 0 434.334 3.811 50 0 IHAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2Br)c2ccsc2)n1 ZINC000575613683 568879717 /nfs/dbraw/zinc/87/97/17/568879717.db2.gz KCOYQKWWRJPNOP-MRXNPFEDSA-N 0 0 440.388 3.892 50 0 IHAARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006232865 568880727 /nfs/dbraw/zinc/88/07/27/568880727.db2.gz SJEDGNXTYBINAW-SSOJOUAXSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1OC ZINC000006261665 568881183 /nfs/dbraw/zinc/88/11/83/568881183.db2.gz SVXTYGZOUDAMOG-UHFFFAOYSA-N 0 0 425.510 3.553 50 0 IHAARN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000575617140 568881668 /nfs/dbraw/zinc/88/16/68/568881668.db2.gz PPMADZMWGHQBLF-UHFFFAOYSA-N 0 0 432.471 3.531 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000137712907 568882021 /nfs/dbraw/zinc/88/20/21/568882021.db2.gz XHTNFIDJTKVFET-XUVXKRRUSA-N 0 0 430.888 3.612 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)c1 ZINC000009600183 568884125 /nfs/dbraw/zinc/88/41/25/568884125.db2.gz ZTBDBNAEVHEGDU-UHFFFAOYSA-N 0 0 432.502 3.598 50 0 IHAARN CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1 ZINC000222028569 568884981 /nfs/dbraw/zinc/88/49/81/568884981.db2.gz AHIFEZGNBDOXHT-PZJWPPBQSA-N 0 0 439.961 3.558 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000229762332 568886784 /nfs/dbraw/zinc/88/67/84/568886784.db2.gz WRIUSJGKZLKNKS-TZRIAGMCSA-N 0 0 435.540 3.631 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc2)no1 ZINC000090558860 568887716 /nfs/dbraw/zinc/88/77/16/568887716.db2.gz GHXGNLYISKWOTM-UHFFFAOYSA-N 0 0 434.525 3.827 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1C ZINC000090560562 568887790 /nfs/dbraw/zinc/88/77/90/568887790.db2.gz CNYTVAMDTGVMDP-UHFFFAOYSA-N 0 0 425.554 3.968 50 0 IHAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1ccccc1C(=O)OC ZINC000090594508 568889382 /nfs/dbraw/zinc/88/93/82/568889382.db2.gz RMJHWVBFKZQNNC-GOSISDBHSA-N 0 0 436.443 3.560 50 0 IHAARN O=S(=O)(NCCNc1cc(Nc2ccccn2)ncn1)c1ccc(-c2ccccc2)cc1 ZINC000090607954 568890695 /nfs/dbraw/zinc/89/06/95/568890695.db2.gz YOHSPEQJSUMJAU-UHFFFAOYSA-N 0 0 446.536 3.673 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)Nc1nccs1 ZINC000090610087 568891585 /nfs/dbraw/zinc/89/15/85/568891585.db2.gz LDEVBAWFHFZQHG-UHFFFAOYSA-N 0 0 432.527 3.833 50 0 IHAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)NC(=O)CCSc1ccccc1 ZINC000015980286 568894175 /nfs/dbraw/zinc/89/41/75/568894175.db2.gz HTZCFQBAIAKVKI-DHZHZOJOSA-N 0 0 435.448 3.670 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012982528 568894793 /nfs/dbraw/zinc/89/47/93/568894793.db2.gz KDJFXIWFUIVMRL-KRWDZBQOSA-N 0 0 428.432 3.506 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032721599 568895912 /nfs/dbraw/zinc/89/59/12/568895912.db2.gz BCAQVGCYUZPRPM-VQHVLOKHSA-N 0 0 434.473 3.827 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012997141 568897040 /nfs/dbraw/zinc/89/70/40/568897040.db2.gz GNANISRQHTWDNF-UHFFFAOYSA-N 0 0 427.932 3.598 50 0 IHAARN O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4Cl)N4CCCC4)c3=O)c2N1 ZINC000035671294 568897324 /nfs/dbraw/zinc/89/73/24/568897324.db2.gz UOTNQGSEQYHAOI-AWEZNQCLSA-N 0 0 446.985 3.993 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc(-c2ccsc2)nc1C ZINC000013002123 568898357 /nfs/dbraw/zinc/89/83/57/568898357.db2.gz AUYMYUIYNCCXDA-UHFFFAOYSA-N 0 0 440.550 3.705 50 0 IHAARN CCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000013003295 568898527 /nfs/dbraw/zinc/89/85/27/568898527.db2.gz SZSIAUZOBNLIKD-CQSZACIVSA-N 0 0 432.489 3.787 50 0 IHAARN O=C(NCc1ccco1)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001785743 568907593 /nfs/dbraw/zinc/90/75/93/568907593.db2.gz XUSZYBUAIYLNEI-UHFFFAOYSA-N 0 0 449.894 3.683 50 0 IHAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)NC(C)(C)C)cc2)C(C(=O)OCCOC)=C1C ZINC000035711552 568907668 /nfs/dbraw/zinc/90/76/68/568907668.db2.gz JWARLIAFTSKFQK-LJQANCHMSA-N 0 0 446.548 3.547 50 0 IHAARN CCN(CC)c1ccc2c(c1)oc(=O)c(NC(=O)C(F)(F)F)c2CC(=O)C(F)(F)F ZINC000001790686 568907787 /nfs/dbraw/zinc/90/77/87/568907787.db2.gz HQZUHRWDNANUEO-UHFFFAOYSA-N 0 0 438.324 3.814 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000238937218 568910274 /nfs/dbraw/zinc/91/02/74/568910274.db2.gz UITDEGKNHFENLB-ZLNRFVROSA-N 0 0 442.471 3.833 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1cccs1 ZINC000239297251 568911131 /nfs/dbraw/zinc/91/11/31/568911131.db2.gz DUQGFRYWLPMVSF-RBSFLKMASA-N 0 0 436.603 3.603 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000239310312 568911279 /nfs/dbraw/zinc/91/12/79/568911279.db2.gz IIMPPFQWKNZRMI-RKVPGOIHSA-N 0 0 440.993 3.524 50 0 IHAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000245313100 568914866 /nfs/dbraw/zinc/91/48/66/568914866.db2.gz ZZEGYUHGFNNAND-DNVJHFABSA-N 0 0 429.476 3.922 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2)cc1 ZINC000016498952 568920312 /nfs/dbraw/zinc/92/03/12/568920312.db2.gz IMYFDQNVPGSGSV-UHFFFAOYSA-N 0 0 428.510 3.920 50 0 IHAARN CCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000001911929 568922331 /nfs/dbraw/zinc/92/23/31/568922331.db2.gz PGHVHXBZWSGOAE-CYBMUJFWSA-N 0 0 429.498 3.542 50 0 IHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000001916997 568922630 /nfs/dbraw/zinc/92/26/30/568922630.db2.gz SXZJUQGBJVCFDA-GOSISDBHSA-N 0 0 428.872 3.533 50 0 IHAARN O=C(COc1ccc(Br)cc1)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000026897181 568924050 /nfs/dbraw/zinc/92/40/50/568924050.db2.gz KSKWMEJTLIROCB-UHFFFAOYSA-N 0 0 443.341 3.911 50 0 IHAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1cccc(Cl)c1 ZINC000001973275 568924168 /nfs/dbraw/zinc/92/41/68/568924168.db2.gz IBVBSNNSWSNQIX-UHFFFAOYSA-N 0 0 434.835 3.936 50 0 IHAARN CCOC(=O)c1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccccc1OC ZINC000001132322 568924847 /nfs/dbraw/zinc/92/48/47/568924847.db2.gz RQXBMEWWPGBQOE-UHFFFAOYSA-N 0 0 440.448 3.976 50 0 biogenic IHAARN Cc1[nH]c2ccccc2c1CN=Nc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000252628598 568926403 /nfs/dbraw/zinc/92/64/03/568926403.db2.gz STUCNIFDIZJFMQ-UHFFFAOYSA-N 0 0 442.527 3.556 50 0 IHAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000064438515 568928192 /nfs/dbraw/zinc/92/81/92/568928192.db2.gz DLUXXMWHPBWONT-UHFFFAOYSA-N 0 0 441.959 3.807 50 0 IHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000064438453 568928311 /nfs/dbraw/zinc/92/83/11/568928311.db2.gz ALKOSOAYRLMVAU-UHFFFAOYSA-N 0 0 427.932 3.560 50 0 IHAARN CCNC(=O)N1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064450944 568928985 /nfs/dbraw/zinc/92/89/85/568928985.db2.gz FJKRCFHJQPURDH-UHFFFAOYSA-N 0 0 445.568 3.659 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1F ZINC000064566113 568932794 /nfs/dbraw/zinc/93/27/94/568932794.db2.gz TWIKHAGSNVBFKM-UHFFFAOYSA-N 0 0 435.434 3.922 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000064580473 568934580 /nfs/dbraw/zinc/93/45/80/568934580.db2.gz SXHBXACYGNRWOU-UHFFFAOYSA-N 0 0 439.537 3.688 50 0 IHAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)C(=O)Nc1ccc(F)cc1 ZINC000064593375 568935903 /nfs/dbraw/zinc/93/59/03/568935903.db2.gz RTMFUVJSFYQCCN-QGZVFWFLSA-N 0 0 441.463 3.668 50 0 IHAARN Cc1nc(Cl)ccc1CC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000089536912 568936731 /nfs/dbraw/zinc/93/67/31/568936731.db2.gz HKCGZTFZJAIYHI-UHFFFAOYSA-N 0 0 436.946 3.720 50 0 IHAARN Cc1c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3CCO)c2)cnn1-c1ccccc1 ZINC000089544988 568936946 /nfs/dbraw/zinc/93/69/46/568936946.db2.gz MUHIVMLWLALLGK-OAQYLSRUSA-N 0 0 432.524 3.810 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cc(F)cc(F)c3)n2)cc1 ZINC000064605298 568939433 /nfs/dbraw/zinc/93/94/33/568939433.db2.gz PBSSSKWRNOZSOG-UHFFFAOYSA-N 0 0 440.450 3.730 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21)Nc1ccccc1 ZINC000064605440 568939672 /nfs/dbraw/zinc/93/96/72/568939672.db2.gz JLGIDUANGOWNRK-UHFFFAOYSA-N 0 0 437.499 3.839 50 0 IHAARN CCOc1ccc(NC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)cc1 ZINC000064611402 568939975 /nfs/dbraw/zinc/93/99/75/568939975.db2.gz CEKWDVIIGFLYKL-RUZDIDTESA-N 0 0 435.568 3.882 50 0 IHAARN CCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000002064962 568941264 /nfs/dbraw/zinc/94/12/64/568941264.db2.gz UQCMCEFDSSMQGI-UHFFFAOYSA-N 0 0 436.599 3.917 50 0 IHAARN O=C(NCc1ccccn1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611657 568941471 /nfs/dbraw/zinc/94/14/71/568941471.db2.gz NBPNFDDAQGLCBP-KRWDZBQOSA-N 0 0 445.548 3.579 50 0 IHAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2cccnc2)co1)Cc1cc(OC)ccc1OC ZINC000036082613 568946761 /nfs/dbraw/zinc/94/67/61/568946761.db2.gz XRQILXGZFJFZLQ-QGZVFWFLSA-N 0 0 438.528 3.818 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036083701 568947433 /nfs/dbraw/zinc/94/74/33/568947433.db2.gz ZUVMKSCKOIXGBF-JOCHJYFZSA-N 0 0 440.496 3.605 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083896 568947640 /nfs/dbraw/zinc/94/76/40/568947640.db2.gz XUBXVONSQKCETC-OAQYLSRUSA-N 0 0 428.460 3.817 50 0 IHAARN CCN1c2ccc(CNC(=O)[C@@H]3COc4ccccc4O3)cc2Sc2ncccc2C1=O ZINC000064759608 568952042 /nfs/dbraw/zinc/95/20/42/568952042.db2.gz HUDRXDFSSCMMNA-FQEVSTJZSA-N 0 0 447.516 3.669 50 0 IHAARN COc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccsc5)ccc4=O)CC3)CC2)cc1 ZINC000064761388 568952521 /nfs/dbraw/zinc/95/25/21/568952521.db2.gz VYUHOZXRLOALPH-UHFFFAOYSA-N 0 0 435.549 3.876 50 0 IHAARN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)c1OC ZINC000036103745 568952849 /nfs/dbraw/zinc/95/28/49/568952849.db2.gz RAENQJLJTFNQKO-LJQANCHMSA-N 0 0 431.529 3.611 50 0 IHAARN CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccc(OC)cc2)CC3=O)cc1 ZINC000064775506 568954692 /nfs/dbraw/zinc/95/46/92/568954692.db2.gz ZAJQTKKNFHSFOX-INIZCTEOSA-N 0 0 432.476 3.947 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)COc4ccc(C)cc4)c3)cc2=O)s1 ZINC000064775685 568954712 /nfs/dbraw/zinc/95/47/12/568954712.db2.gz ZRGBLCIMKQFSOE-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(OC)cc4OC)c(=O)[nH]c3C2)cc1 ZINC000064775505 568954716 /nfs/dbraw/zinc/95/47/16/568954716.db2.gz RPKHCTYSEYVURQ-HNNXBMFYSA-N 0 0 448.475 3.566 50 0 IHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C(C)C)c1 ZINC000036117225 568955555 /nfs/dbraw/zinc/95/55/55/568955555.db2.gz STTPUCLKPPPTKO-NRFANRHFSA-N 0 0 442.581 3.909 50 0 IHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)c1 ZINC000036117335 568955769 /nfs/dbraw/zinc/95/57/69/568955769.db2.gz WBKVXZUBESOZCZ-NRFANRHFSA-N 0 0 442.581 3.909 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119339 568956073 /nfs/dbraw/zinc/95/60/73/568956073.db2.gz XBZAAAXSGFSYSP-NRFANRHFSA-N 0 0 444.597 3.774 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036120069 568956954 /nfs/dbraw/zinc/95/69/54/568956954.db2.gz SQYXNKWYFHOPMI-RBBKRZOGSA-N 0 0 442.581 3.589 50 0 IHAARN COCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006709044 568958925 /nfs/dbraw/zinc/95/89/25/568958925.db2.gz NWXQIHGDTUKNGM-UHFFFAOYSA-N 0 0 427.545 3.645 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)NCc1ccccc1F ZINC000064792573 568959324 /nfs/dbraw/zinc/95/93/24/568959324.db2.gz NPUKFFNPHBPFKQ-HSZRJFAPSA-N 0 0 440.482 3.579 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1 ZINC000064792724 568959458 /nfs/dbraw/zinc/95/94/58/568959458.db2.gz ZEPGCEBSXNHYHW-DEOSSOPVSA-N 0 0 436.519 3.748 50 0 IHAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000064799192 568960701 /nfs/dbraw/zinc/96/07/01/568960701.db2.gz LCYGCDYPZLAIHP-OAHLLOKOSA-N 0 0 443.502 3.792 50 0 IHAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(OC)c(O)c2)cc1 ZINC000064799119 568960704 /nfs/dbraw/zinc/96/07/04/568960704.db2.gz JAXNIDSULJVLOX-HNNXBMFYSA-N 0 0 445.518 3.778 50 0 IHAARN CCN(CC)c1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819575 568966585 /nfs/dbraw/zinc/96/65/85/568966585.db2.gz MOINFKZPGNKKRR-UHFFFAOYSA-N 0 0 430.508 3.814 50 0 IHAARN COc1ccc(NC(=O)N(C)CCc2noc(COc3ccccc3F)n2)c(OC)c1 ZINC000064840385 568969666 /nfs/dbraw/zinc/96/96/66/568969666.db2.gz UVFDFZVBEQIWLW-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nn3)n2)cc1 ZINC000064837991 568970101 /nfs/dbraw/zinc/97/01/01/568970101.db2.gz FCTPFCHAHFMLKI-UHFFFAOYSA-N 0 0 432.459 3.668 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(F)ccc3F)CC1)c1cccn1-2 ZINC000064848062 568971401 /nfs/dbraw/zinc/97/14/01/568971401.db2.gz WDYWNVHLIHXUKC-UHFFFAOYSA-N 0 0 445.491 3.870 50 0 biogenic IHAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)sc(C)c3-c3ccno3)CC2)cc1 ZINC000064845121 568972013 /nfs/dbraw/zinc/97/20/13/568972013.db2.gz OMBKFOBASQSHJD-UHFFFAOYSA-N 0 0 445.566 3.733 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210654 568974991 /nfs/dbraw/zinc/97/49/91/568974991.db2.gz FOPLOXVNMHBFQS-XMSQKQJNSA-N 0 0 429.605 3.683 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036211967 568975916 /nfs/dbraw/zinc/97/59/16/568975916.db2.gz UYINZXUTNHHMKP-UWJYYQICSA-N 0 0 441.597 3.622 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)NCc2ccccc2OC)=Nc2ccccc2N1 ZINC000064869548 568976228 /nfs/dbraw/zinc/97/62/28/568976228.db2.gz VQJSZAHVAIXAMR-UHFFFAOYSA-N 0 0 425.510 3.647 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCCO1)OC1(CCCCC1)CC3 ZINC000006764478 568978861 /nfs/dbraw/zinc/97/88/61/568978861.db2.gz FCRKERQBCKBILM-GOSISDBHSA-N 0 0 425.525 3.967 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000036235077 568979000 /nfs/dbraw/zinc/97/90/00/568979000.db2.gz DGZNEEXFDZFMIO-QGZVFWFLSA-N 0 0 449.594 3.835 50 0 IHAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccncc1)c1ccc2c(c1)CCCC2 ZINC000064888113 568979421 /nfs/dbraw/zinc/97/94/21/568979421.db2.gz POEYTPQKANGLSJ-UHFFFAOYSA-N 0 0 432.549 3.956 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1cc(C)ccc1C ZINC000064889051 568980051 /nfs/dbraw/zinc/98/00/51/568980051.db2.gz CMXFHZQWZIAQHG-UHFFFAOYSA-N 0 0 428.558 3.712 50 0 IHAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3CC(C)C)no1 ZINC000064890954 568980928 /nfs/dbraw/zinc/98/09/28/568980928.db2.gz KIMBRLGNXHYNLO-UHFFFAOYSA-N 0 0 440.887 3.937 50 0 IHAARN CCCn1c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2[nH]c(=O)c1=O ZINC000064890864 568980968 /nfs/dbraw/zinc/98/09/68/568980968.db2.gz WPQYBEQDIMWOSS-UHFFFAOYSA-N 0 0 427.258 3.579 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(Cl)cc3F)n2)c1 ZINC000064891840 568982785 /nfs/dbraw/zinc/98/27/85/568982785.db2.gz WJJLDECMMCXGCP-UHFFFAOYSA-N 0 0 428.851 3.625 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)CC1 ZINC000064892326 568983052 /nfs/dbraw/zinc/98/30/52/568983052.db2.gz SLVKQZVQLHZZEF-UHFFFAOYSA-N 0 0 426.991 3.795 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1ccc(-n2nnc3cccnc32)cc1 ZINC000064896429 568983606 /nfs/dbraw/zinc/98/36/06/568983606.db2.gz FBRDPJWCKYEHOL-UHFFFAOYSA-N 0 0 438.285 3.517 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1ccccc1F ZINC000064924864 568986401 /nfs/dbraw/zinc/98/64/01/568986401.db2.gz OKNRKMVSSROCCW-UHFFFAOYSA-N 0 0 436.535 3.658 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)ccc2=O)cc1 ZINC000064928330 568987469 /nfs/dbraw/zinc/98/74/69/568987469.db2.gz AOOYBJUCKXKEKF-JOCHJYFZSA-N 0 0 430.552 3.636 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169679138 568989994 /nfs/dbraw/zinc/98/99/94/568989994.db2.gz KIYNVMNNNAGPRD-AZGAKELHSA-N 0 0 427.548 3.879 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000169679773 568991132 /nfs/dbraw/zinc/99/11/32/568991132.db2.gz WYBMIYXDRBVROH-XZOQPEGZSA-N 0 0 442.537 3.607 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000169681026 568991528 /nfs/dbraw/zinc/99/15/28/568991528.db2.gz FMYNLTFHFRXXEQ-XZOQPEGZSA-N 0 0 432.586 3.626 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)c1 ZINC000064944023 568993306 /nfs/dbraw/zinc/99/33/06/568993306.db2.gz GPCCNBFJIUJKQV-UHFFFAOYSA-N 0 0 445.595 3.573 50 0 IHAARN CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000064946792 568993710 /nfs/dbraw/zinc/99/37/10/568993710.db2.gz NWDUPLCXIUTKMQ-UHFFFAOYSA-N 0 0 431.308 3.785 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](C)O ZINC000036303813 568994311 /nfs/dbraw/zinc/99/43/11/568994311.db2.gz BUYNLUGSVBRMBD-SFHVURJKSA-N 0 0 425.529 3.811 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000036311505 568997071 /nfs/dbraw/zinc/99/70/71/568997071.db2.gz NOHORPKLPGDZTL-AREMUKBSSA-N 0 0 449.595 3.970 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311887 568997268 /nfs/dbraw/zinc/99/72/68/568997268.db2.gz FJJHLZFISDYDPS-JOCHJYFZSA-N 0 0 427.495 3.920 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21 ZINC000064956888 568999293 /nfs/dbraw/zinc/99/92/93/568999293.db2.gz GMBOIEDIYLYLBQ-UHFFFAOYSA-N 0 0 440.935 3.841 50 0 IHAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)C2)c1 ZINC000064958317 568999618 /nfs/dbraw/zinc/99/96/18/568999618.db2.gz UPTCEMPDPLGJLM-GOSISDBHSA-N 0 0 426.542 3.657 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccccc4C)c(=O)[nH]c3C2)cc1OC ZINC000064959204 568999816 /nfs/dbraw/zinc/99/98/16/568999816.db2.gz MFZJNEYPOAYDBT-INIZCTEOSA-N 0 0 432.476 3.866 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000169684251 569000233 /nfs/dbraw/zinc/00/02/33/569000233.db2.gz PADVOKDFVJTERK-RTOPAQNCSA-N 0 0 431.492 3.989 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCc1ccc(F)cc1 ZINC000064971394 569076241 /nfs/dbraw/zinc/07/62/41/569076241.db2.gz IDWFGJZDAPKYKE-UHFFFAOYSA-N 0 0 432.455 3.527 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000064972057 569076696 /nfs/dbraw/zinc/07/66/96/569076696.db2.gz SEONUEQGDSURSX-HSZRJFAPSA-N 0 0 436.533 3.840 50 0 IHAARN CCc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000064972081 569076764 /nfs/dbraw/zinc/07/67/64/569076764.db2.gz BCZHYUDDXVBBIH-XMMPIXPASA-N 0 0 434.561 3.681 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000064972392 569076961 /nfs/dbraw/zinc/07/69/61/569076961.db2.gz QDKMNEUCWCKTSL-DEOSSOPVSA-N 0 0 434.561 3.735 50 0 IHAARN COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)c1 ZINC000064978222 569077727 /nfs/dbraw/zinc/07/77/27/569077727.db2.gz AMCPGPJONFUBTK-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)COc4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000064980452 569078542 /nfs/dbraw/zinc/07/85/42/569078542.db2.gz DZEOSMPNAADADA-UHFFFAOYSA-N 0 0 449.414 3.898 50 0 IHAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000036342224 569079773 /nfs/dbraw/zinc/07/97/73/569079773.db2.gz WMLMNIVHGRWEHE-QFIPXVFZSA-N 0 0 438.959 3.523 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000064985284 569081897 /nfs/dbraw/zinc/08/18/97/569081897.db2.gz KNZAUJOYHHDCEH-QFIPXVFZSA-N 0 0 438.505 3.680 50 0 IHAARN O=C(Nc1c(F)cccc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985403 569081969 /nfs/dbraw/zinc/08/19/69/569081969.db2.gz SJTHFZAFNJVTMD-IBGZPJMESA-N 0 0 430.432 3.560 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cc(N3CCOCC3)ncn2)cc1 ZINC000064989443 569083057 /nfs/dbraw/zinc/08/30/57/569083057.db2.gz PNHRSVOMZWZAHH-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000064991383 569083551 /nfs/dbraw/zinc/08/35/51/569083551.db2.gz HPGGZLRFROBBGE-UHFFFAOYSA-N 0 0 429.527 3.843 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CNC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000064991341 569083592 /nfs/dbraw/zinc/08/35/92/569083592.db2.gz WKMDTNBRRAARGI-UHFFFAOYSA-N 0 0 435.868 3.913 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1ncn(C)c2=O ZINC000064991884 569084371 /nfs/dbraw/zinc/08/43/71/569084371.db2.gz FBXBVBQQMGILBK-OAHLLOKOSA-N 0 0 435.915 3.524 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1 ZINC000064999420 569085791 /nfs/dbraw/zinc/08/57/91/569085791.db2.gz BFWPRJVSXHIZCG-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN Cc1ccc(-c2ccc(Nc3cccc(Cl)c3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009376 569087880 /nfs/dbraw/zinc/08/78/80/569087880.db2.gz DRLIOCASRRAYPB-UHFFFAOYSA-N 0 0 444.944 3.870 50 0 IHAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C)n2C)n1 ZINC000065009010 569087881 /nfs/dbraw/zinc/08/78/81/569087881.db2.gz SLIQZVPSYSDUQS-KRWDZBQOSA-N 0 0 444.626 3.973 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023454 569089274 /nfs/dbraw/zinc/08/92/74/569089274.db2.gz LRXNCRHFCXCUJN-QGZVFWFLSA-N 0 0 434.471 3.909 50 0 IHAARN CCOc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4cccc(F)c4)c32)cc1 ZINC000065024863 569089683 /nfs/dbraw/zinc/08/96/83/569089683.db2.gz CKIXRMYRHVUTLO-UHFFFAOYSA-N 0 0 436.443 3.826 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030763 569091335 /nfs/dbraw/zinc/09/13/35/569091335.db2.gz IKWYMBKRQDYVTM-UHFFFAOYSA-N 0 0 441.532 3.596 50 0 IHAARN Cc1ccc(Cn2nnc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc32)cc1 ZINC000065030512 569091344 /nfs/dbraw/zinc/09/13/44/569091344.db2.gz FXMHVBVXYJDDET-UHFFFAOYSA-N 0 0 429.499 3.890 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1 ZINC000065034653 569092231 /nfs/dbraw/zinc/09/22/31/569092231.db2.gz ODWVQZLDFSIORE-UHFFFAOYSA-N 0 0 443.544 3.760 50 0 IHAARN COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065034988 569092431 /nfs/dbraw/zinc/09/24/31/569092431.db2.gz OAHKRIIWYQCKGS-UHFFFAOYSA-N 0 0 445.878 3.747 50 0 IHAARN COc1ccc(OCC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169753453 569093586 /nfs/dbraw/zinc/09/35/86/569093586.db2.gz IFLVSBQRCFOHOT-GOSISDBHSA-N 0 0 440.931 3.903 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)CCc4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000169753642 569093592 /nfs/dbraw/zinc/09/35/92/569093592.db2.gz QUBMPNFMGVJUDB-FQEVSTJZSA-N 0 0 434.540 3.812 50 0 IHAARN O=C(Cc1ccccc1Br)N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169754071 569093689 /nfs/dbraw/zinc/09/36/89/569093689.db2.gz FIAKYJZAHVRGLG-QGZVFWFLSA-N 0 0 443.320 3.916 50 0 IHAARN COc1ccc(CC(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000169753776 569093700 /nfs/dbraw/zinc/09/37/00/569093700.db2.gz QSOCQFLJDXIVLD-SFHVURJKSA-N 0 0 440.931 3.685 50 0 IHAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccccc1Br ZINC000169754066 569093748 /nfs/dbraw/zinc/09/37/48/569093748.db2.gz LMLQWWRYPDNVIK-HNNXBMFYSA-N 0 0 429.293 3.987 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(OC(F)(F)F)c4)C3)n[nH]2)cc1 ZINC000169754314 569093783 /nfs/dbraw/zinc/09/37/83/569093783.db2.gz XCRVFKLTEBLYPX-MRXNPFEDSA-N 0 0 446.429 3.993 50 0 IHAARN O=C(NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)C1(c2ccccc2)CC1 ZINC000169754447 569093842 /nfs/dbraw/zinc/09/38/42/569093842.db2.gz IQNPULNBFZXTOI-UHFFFAOYSA-N 0 0 442.475 3.782 50 0 IHAARN Cc1ccccc1CC(=O)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 ZINC000169754871 569093973 /nfs/dbraw/zinc/09/39/73/569093973.db2.gz GXGBJTZFCAZBNZ-UHFFFAOYSA-N 0 0 428.330 3.600 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000169757864 569094163 /nfs/dbraw/zinc/09/41/63/569094163.db2.gz BIZMBILVWRRZMF-NRFANRHFSA-N 0 0 439.899 3.727 50 0 IHAARN Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3Cl)nc(N3CCCCC3)c12 ZINC000065056357 569094774 /nfs/dbraw/zinc/09/47/74/569094774.db2.gz FVPKMJHXQCHMLB-UHFFFAOYSA-N 0 0 431.899 3.958 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cc(OC)ccc3OC)C2)c1 ZINC000065058812 569095576 /nfs/dbraw/zinc/09/55/76/569095576.db2.gz VNNHMROXJRZKJC-XMMPIXPASA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000065059247 569095960 /nfs/dbraw/zinc/09/59/60/569095960.db2.gz BBKBWLSABJNEDY-LJQANCHMSA-N 0 0 442.990 3.517 50 0 IHAARN COc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5ccccn5)CC4)s3)no2)cc1 ZINC000065062879 569097235 /nfs/dbraw/zinc/09/72/35/569097235.db2.gz ZZLTUVVSPHLFGV-UHFFFAOYSA-N 0 0 447.520 3.831 50 0 IHAARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2cccc(Cl)c2Cl)c1 ZINC000036392729 569098386 /nfs/dbraw/zinc/09/83/86/569098386.db2.gz QEKRFRRDWHXRIF-UHFFFAOYSA-N 0 0 429.369 3.929 50 0 IHAARN O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000036396745 569099203 /nfs/dbraw/zinc/09/92/03/569099203.db2.gz CZFJFWJLWMZFBG-GFCCVEGCSA-N 0 0 425.432 3.582 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000065075290 569099496 /nfs/dbraw/zinc/09/94/96/569099496.db2.gz HFBWFONHWLOKEA-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN COC(=O)c1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075238 569099523 /nfs/dbraw/zinc/09/95/23/569099523.db2.gz IOKDHKURTCXAJO-AREMUKBSSA-N 0 0 428.488 3.751 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077339 569100177 /nfs/dbraw/zinc/10/01/77/569100177.db2.gz RMLBOHMASAJEHS-CQSZACIVSA-N 0 0 448.566 3.711 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccc(F)cc1Cl ZINC000065077185 569100201 /nfs/dbraw/zinc/10/02/01/569100201.db2.gz BBAWHCHYGHDPSH-UHFFFAOYSA-N 0 0 442.921 3.716 50 0 IHAARN Cc1cc(F)ccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077687 569100380 /nfs/dbraw/zinc/10/03/80/569100380.db2.gz JMTYYUDIIPFUAQ-ZDUSSCGKSA-N 0 0 436.530 3.617 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000065078008 569100695 /nfs/dbraw/zinc/10/06/95/569100695.db2.gz JTWAWVTYGQGMNX-AWEZNQCLSA-N 0 0 448.566 3.711 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1C ZINC000065077899 569100732 /nfs/dbraw/zinc/10/07/32/569100732.db2.gz OORLSSXTBVALFK-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)s1 ZINC000036398213 569101322 /nfs/dbraw/zinc/10/13/22/569101322.db2.gz HGUPUJBGVHONPL-UHFFFAOYSA-N 0 0 447.560 3.721 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5ccccc5n4)ccn3n2)cc1C ZINC000169775952 569101926 /nfs/dbraw/zinc/10/19/26/569101926.db2.gz UAMZSHDEGYOBNE-UHFFFAOYSA-N 0 0 437.503 3.758 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4nccc5ccccc54)ccn3n2)c(C)c1 ZINC000169776347 569102427 /nfs/dbraw/zinc/10/24/27/569102427.db2.gz NTFQBCNIZZZIOD-UHFFFAOYSA-N 0 0 437.503 3.758 50 0 IHAARN O=C(Cc1cccc(Cl)c1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778076 569102639 /nfs/dbraw/zinc/10/26/39/569102639.db2.gz CHVIKJLEAGSTPQ-GOSISDBHSA-N 0 0 434.887 3.665 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)CC1 ZINC000169780752 569103116 /nfs/dbraw/zinc/10/31/16/569103116.db2.gz AWSDHXYJMUJPBR-DEOSSOPVSA-N 0 0 432.568 3.750 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)sc1C ZINC000065097608 569104002 /nfs/dbraw/zinc/10/40/02/569104002.db2.gz CLTUJWQYKVATIP-UHFFFAOYSA-N 0 0 446.554 3.558 50 0 IHAARN CCN1C(=O)COc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc21 ZINC000065098282 569104676 /nfs/dbraw/zinc/10/46/76/569104676.db2.gz KZVYARAZQIFBRG-QGZVFWFLSA-N 0 0 432.480 3.619 50 0 IHAARN CCN1C(=O)COc2ccc(-c3noc([C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc21 ZINC000065098288 569104725 /nfs/dbraw/zinc/10/47/25/569104725.db2.gz UEWCINWOGIDBTN-CQSZACIVSA-N 0 0 438.871 3.656 50 0 IHAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065099820 569104863 /nfs/dbraw/zinc/10/48/63/569104863.db2.gz KAZVOTIIMWFTRC-UHFFFAOYSA-N 0 0 428.424 3.541 50 0 IHAARN Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100104 569104945 /nfs/dbraw/zinc/10/49/45/569104945.db2.gz NCHPQFXLGFTFKK-UHFFFAOYSA-N 0 0 440.916 3.594 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1C ZINC000065115363 569106725 /nfs/dbraw/zinc/10/67/25/569106725.db2.gz WXDGZPXYRQNDDJ-UHFFFAOYSA-N 0 0 427.526 3.896 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000065112176 569108020 /nfs/dbraw/zinc/10/80/20/569108020.db2.gz SVHHBDBKQCCWIK-UHFFFAOYSA-N 0 0 427.526 3.876 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)no2)c1 ZINC000065112167 569108021 /nfs/dbraw/zinc/10/80/21/569108021.db2.gz NYOILHGLQAHXKJ-UHFFFAOYSA-N 0 0 427.526 3.930 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)no2)c1 ZINC000065112204 569108042 /nfs/dbraw/zinc/10/80/42/569108042.db2.gz AZAHRYOSSPRCNL-UHFFFAOYSA-N 0 0 431.489 3.761 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)no2)c1 ZINC000065112207 569108081 /nfs/dbraw/zinc/10/80/81/569108081.db2.gz TVLDIUYAARFEDM-UHFFFAOYSA-N 0 0 439.537 3.802 50 0 IHAARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118256 569108885 /nfs/dbraw/zinc/10/88/85/569108885.db2.gz SGLPSPJANAHNJG-UHFFFAOYSA-N 0 0 430.512 3.852 50 0 IHAARN COc1ccccc1CCC(=O)N1CCN(c2ncccc2-c2nnc(C(C)C)o2)CC1 ZINC000065118008 569108896 /nfs/dbraw/zinc/10/88/96/569108896.db2.gz IWZWJCZPRAHZJC-UHFFFAOYSA-N 0 0 435.528 3.545 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3=O)cc2)cc1 ZINC000065130332 569109125 /nfs/dbraw/zinc/10/91/25/569109125.db2.gz TYHWSPQPJMNXHG-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN Cc1ccccc1NC(=O)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000065130335 569109141 /nfs/dbraw/zinc/10/91/41/569109141.db2.gz DPLVUIIBLBVKRU-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000065149050 569110989 /nfs/dbraw/zinc/11/09/89/569110989.db2.gz LBGOCBARAJSGSF-UHFFFAOYSA-N 0 0 439.512 3.904 50 0 IHAARN O=C(Cn1c(=O)cccc1-c1nc(-c2ccccc2F)no1)Nc1cc(F)ccc1F ZINC000065150341 569111053 /nfs/dbraw/zinc/11/10/53/569111053.db2.gz PZKMTPCOTICEOE-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN O=C(CN1C(=O)[C@@](O)(c2ccccc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000065155763 569111922 /nfs/dbraw/zinc/11/19/22/569111922.db2.gz PIAQOSHPTGXUNB-JOCHJYFZSA-N 0 0 437.293 3.670 50 0 IHAARN O=C(CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000065155260 569112469 /nfs/dbraw/zinc/11/24/69/569112469.db2.gz YMYIRKRFNIRUOV-JOCHJYFZSA-N 0 0 428.822 3.839 50 0 IHAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1Cl)[C@H](C(=O)N1CCCCC1)C2 ZINC000065167320 569112601 /nfs/dbraw/zinc/11/26/01/569112601.db2.gz VIGZWCMRAIROCN-QFIPXVFZSA-N 0 0 439.943 3.878 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCOCC1 ZINC000065179192 569113518 /nfs/dbraw/zinc/11/35/18/569113518.db2.gz XILLLTXUHZEYKZ-GOSISDBHSA-N 0 0 442.943 3.744 50 0 IHAARN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000065183495 569113958 /nfs/dbraw/zinc/11/39/58/569113958.db2.gz MTYPUEPMPLTFQV-UHFFFAOYSA-N 0 0 439.006 3.992 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1C ZINC000065179048 569114619 /nfs/dbraw/zinc/11/46/19/569114619.db2.gz QXMUFQJWMOAZLT-NRFANRHFSA-N 0 0 436.552 3.707 50 0 IHAARN O=C(CC1CCCCC1)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000065179065 569114653 /nfs/dbraw/zinc/11/46/53/569114653.db2.gz QPGYIDHIJOARFF-OAQYLSRUSA-N 0 0 428.573 3.747 50 0 IHAARN CS(=O)(=O)N1CCc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc21 ZINC000065210449 569116346 /nfs/dbraw/zinc/11/63/46/569116346.db2.gz DXFYVJKQVFDMHU-UHFFFAOYSA-N 0 0 434.561 3.894 50 0 IHAARN CCCn1cc(C2=CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c2cccnc21 ZINC000065211848 569116695 /nfs/dbraw/zinc/11/66/95/569116695.db2.gz XIMAGSWUFDMEDE-UHFFFAOYSA-N 0 0 439.566 3.929 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2nn(Cc3ccccc3)c3ccccc23)cc1 ZINC000065220013 569117238 /nfs/dbraw/zinc/11/72/38/569117238.db2.gz BKNIYROWEYYZAA-UHFFFAOYSA-N 0 0 434.521 3.522 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)NCc3ccc(SC)cc3)C2)no1 ZINC000065227816 569117498 /nfs/dbraw/zinc/11/74/98/569117498.db2.gz OJKZGTKGBXTZJY-QGZVFWFLSA-N 0 0 437.569 3.949 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)no1 ZINC000065227714 569117532 /nfs/dbraw/zinc/11/75/32/569117532.db2.gz HGKHCTXCBCBDEW-MRXNPFEDSA-N 0 0 425.920 3.880 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000036559191 569117633 /nfs/dbraw/zinc/11/76/33/569117633.db2.gz FRTMFQDMMKAJQU-FQEVSTJZSA-N 0 0 427.464 3.557 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)[nH]n2)c1 ZINC000065225963 569117851 /nfs/dbraw/zinc/11/78/51/569117851.db2.gz CGNMDYPWQGCOOI-UHFFFAOYSA-N 0 0 433.480 3.932 50 0 IHAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000065228601 569118330 /nfs/dbraw/zinc/11/83/30/569118330.db2.gz FFLVJFQJUWAXSC-UHFFFAOYSA-N 0 0 430.508 3.832 50 0 IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000065235506 569119184 /nfs/dbraw/zinc/11/91/84/569119184.db2.gz BMKUSJTYZCSOGS-UHFFFAOYSA-N 0 0 430.911 3.751 50 0 biogenic IHAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl)C(C)C ZINC000036580039 569119749 /nfs/dbraw/zinc/11/97/49/569119749.db2.gz LCCQVBGVFQQFLS-NVXWUHKLSA-N 0 0 425.316 3.571 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3ccccc3Cl)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239147 569120086 /nfs/dbraw/zinc/12/00/86/569120086.db2.gz AJZKWJXWQBWPCU-UHFFFAOYSA-N 0 0 443.956 3.707 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239222 569120285 /nfs/dbraw/zinc/12/02/85/569120285.db2.gz ZDGNSOXWIVZWBW-MRXNPFEDSA-N 0 0 431.602 3.793 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239434 569120474 /nfs/dbraw/zinc/12/04/74/569120474.db2.gz KEPRDXGPNXAUMS-UHFFFAOYSA-N 0 0 443.613 3.973 50 0 IHAARN Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC000065251314 569122267 /nfs/dbraw/zinc/12/22/67/569122267.db2.gz YQRIUOSFWBSPSS-UHFFFAOYSA-N 0 0 426.480 3.702 50 0 IHAARN O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000036614217 569124052 /nfs/dbraw/zinc/12/40/52/569124052.db2.gz LWPAXUQNWHYLJX-UHFFFAOYSA-N 0 0 443.351 3.749 50 0 IHAARN Cc1nn(C)cc1Cn1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cn1 ZINC000036617887 569124174 /nfs/dbraw/zinc/12/41/74/569124174.db2.gz ZYNIIQFEIPOWSA-UHFFFAOYSA-N 0 0 431.525 3.934 50 0 IHAARN CCCc1noc(-c2cccnc2N2CCCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 ZINC000065258073 569124359 /nfs/dbraw/zinc/12/43/59/569124359.db2.gz CMYLZVUPDDMPNU-UHFFFAOYSA-N 0 0 434.544 3.503 50 0 IHAARN C[C@H](NC(=O)CCn1c2nn(C)cc2c(C(F)F)cc1=O)c1ccc(-n2cccc2)cc1 ZINC000036621284 569126098 /nfs/dbraw/zinc/12/60/98/569126098.db2.gz SCJLQFKWJARIQM-HNNXBMFYSA-N 0 0 439.466 3.731 50 0 IHAARN Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@H]5C[C@@H](C4)[C@@H]4CCCC(=O)N4C5)c(C)c3cc12 ZINC000524730931 569126298 /nfs/dbraw/zinc/12/62/98/569126298.db2.gz CRWBKSFEXIYZNQ-WWMYMODYSA-N 0 0 448.519 3.558 50 0 biogenic IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036636414 569128255 /nfs/dbraw/zinc/12/82/55/569128255.db2.gz CDLUAPYDBPRUJO-AEFFLSMTSA-N 0 0 426.900 3.828 50 0 IHAARN COc1ccc(NC(=O)N(C)c2nc3c(s2)CN(Cc2ccccc2)C3=O)c(OC)c1 ZINC000065273959 569128260 /nfs/dbraw/zinc/12/82/60/569128260.db2.gz IUVLOCQSOQCZMV-UHFFFAOYSA-N 0 0 438.509 3.985 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000036636410 569128290 /nfs/dbraw/zinc/12/82/90/569128290.db2.gz CDLUAPYDBPRUJO-SJLPKXTDSA-N 0 0 426.900 3.828 50 0 IHAARN COc1ccccc1CC(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1 ZINC000065272401 569128983 /nfs/dbraw/zinc/12/89/83/569128983.db2.gz RGBRCTYMLQYCPH-UHFFFAOYSA-N 0 0 434.471 3.853 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC3)CC1 ZINC000065273503 569129623 /nfs/dbraw/zinc/12/96/23/569129623.db2.gz SZIMFKMWMHGYID-HNNXBMFYSA-N 0 0 447.004 3.907 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273627 569129873 /nfs/dbraw/zinc/12/98/73/569129873.db2.gz RONSMEDAZFZDNB-SFHVURJKSA-N 0 0 440.613 3.754 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)c1 ZINC000065273709 569130014 /nfs/dbraw/zinc/13/00/14/569130014.db2.gz BDYUCORMYQHICM-SFHVURJKSA-N 0 0 438.597 3.644 50 0 IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065307551 569132336 /nfs/dbraw/zinc/13/23/36/569132336.db2.gz DFCVFJCCDQWCDA-JOCHJYFZSA-N 0 0 430.483 3.661 50 0 IHAARN Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(F)cc4C)c(=O)n32)c1 ZINC000065307866 569132482 /nfs/dbraw/zinc/13/24/82/569132482.db2.gz HKHAFEVYAQQGBE-UHFFFAOYSA-N 0 0 434.475 3.646 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(CC)cc3)nn2)CC1 ZINC000065315264 569133907 /nfs/dbraw/zinc/13/39/07/569133907.db2.gz VTKMXPMICAXSPK-UHFFFAOYSA-N 0 0 441.601 3.512 50 0 IHAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000065315468 569134010 /nfs/dbraw/zinc/13/40/10/569134010.db2.gz UNKDYMIMEHIPQD-QGZVFWFLSA-N 0 0 429.565 3.909 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1 ZINC000065315488 569134104 /nfs/dbraw/zinc/13/41/04/569134104.db2.gz JRVCHURQAOQUMD-IAGOWNOFSA-N 0 0 429.565 3.909 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000065315498 569134120 /nfs/dbraw/zinc/13/41/20/569134120.db2.gz FMDICXRYFSQYTP-OAHLLOKOSA-N 0 0 427.480 3.850 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000065318806 569134360 /nfs/dbraw/zinc/13/43/60/569134360.db2.gz ORPRSNWQYZKEFS-UHFFFAOYSA-N 0 0 446.916 3.735 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000065318883 569134593 /nfs/dbraw/zinc/13/45/93/569134593.db2.gz RCKIWINMNQPGMY-UHFFFAOYSA-N 0 0 446.916 3.735 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)NC1CCCCC1 ZINC000065319075 569134605 /nfs/dbraw/zinc/13/46/05/569134605.db2.gz PJVIGCCNFFYJPD-UHFFFAOYSA-N 0 0 446.573 3.672 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C ZINC000065319762 569135955 /nfs/dbraw/zinc/13/59/55/569135955.db2.gz RDPFPNDLCLOBOW-UHFFFAOYSA-N 0 0 449.989 3.683 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000065319831 569136055 /nfs/dbraw/zinc/13/60/55/569136055.db2.gz ZQQMKYAZQHKAPJ-UHFFFAOYSA-N 0 0 449.989 3.857 50 0 IHAARN O=C(COc1ccccc1F)N1CCN(CCc2nc(-c3cccs3)cs2)CC1 ZINC000036709030 569136132 /nfs/dbraw/zinc/13/61/32/569136132.db2.gz RTAZXIAERSOLNE-UHFFFAOYSA-N 0 0 431.558 3.776 50 0 IHAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065329610 569136883 /nfs/dbraw/zinc/13/68/83/569136883.db2.gz DFDLIKWCOHXTFA-UHFFFAOYSA-N 0 0 428.920 3.570 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)cc1OC ZINC000065330765 569137108 /nfs/dbraw/zinc/13/71/08/569137108.db2.gz VATQXBCORSBPHF-INIZCTEOSA-N 0 0 426.542 3.631 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000238852393 569137526 /nfs/dbraw/zinc/13/75/26/569137526.db2.gz JPFIZKCGXBJWFW-UHFFFAOYSA-N 0 0 428.964 3.951 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238870676 569137549 /nfs/dbraw/zinc/13/75/49/569137549.db2.gz MUZVOCMHYKPLLY-GFCCVEGCSA-N 0 0 431.739 3.648 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ncccc2Br)C1 ZINC000238921365 569137999 /nfs/dbraw/zinc/13/79/99/569137999.db2.gz TYGUNJGMFSAECZ-CQSZACIVSA-N 0 0 445.235 3.922 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000036839444 569138406 /nfs/dbraw/zinc/13/84/06/569138406.db2.gz VSHVPVSTZFKVIW-BHVBSVRVSA-N 0 0 426.557 3.527 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F ZINC000065562563 569139222 /nfs/dbraw/zinc/13/92/22/569139222.db2.gz QASOAMNKNIBUBX-MLGOLLRUSA-N 0 0 431.842 3.987 50 0 IHAARN C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCCC1 ZINC000007378158 569139386 /nfs/dbraw/zinc/13/93/86/569139386.db2.gz BTAZIMOYRQMMTR-MRXNPFEDSA-N 0 0 427.998 3.718 50 0 IHAARN O=C(Cn1c2ccccc2c2nc(-c3cccc(F)c3)nn2c1=O)Nc1ccccc1F ZINC000065535080 569139529 /nfs/dbraw/zinc/13/95/29/569139529.db2.gz FPGIETWJZULXMV-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN Cc1cc(CCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)ccc1Br ZINC000170602398 569143278 /nfs/dbraw/zinc/14/32/78/569143278.db2.gz FMHXNLMUFMJDMS-UHFFFAOYSA-N 0 0 431.309 3.785 50 0 IHAARN Cn1ccc2c1cccc2C(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608628 569144925 /nfs/dbraw/zinc/14/49/25/569144925.db2.gz FSRHMXXJQWOWNX-UNMCSNQZSA-N 0 0 447.535 3.592 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(NC(=O)OC(C)(C)C)cc2Cl)NC(=O)N[C@@H]1C ZINC000170611068 569145160 /nfs/dbraw/zinc/14/51/60/569145160.db2.gz NYDBNSMOZOAVOM-LLVKDONJSA-N 0 0 439.896 3.584 50 0 IHAARN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000170611808 569145163 /nfs/dbraw/zinc/14/51/63/569145163.db2.gz WOEBTMWJOOJHBW-XHDPSFHLSA-N 0 0 431.539 3.730 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)c1 ZINC000170618168 569147010 /nfs/dbraw/zinc/14/70/10/569147010.db2.gz UXJRJCLZHMAVCB-LJQANCHMSA-N 0 0 439.537 3.814 50 0 IHAARN Cc1ccc2ncc(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)c(=O)n2c1 ZINC000170625871 569148486 /nfs/dbraw/zinc/14/84/86/569148486.db2.gz GRDJPMRGFFSGBP-UHFFFAOYSA-N 0 0 439.537 3.503 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000009757778 569149000 /nfs/dbraw/zinc/14/90/00/569149000.db2.gz XGJKRSZQAWOYRH-NRFANRHFSA-N 0 0 447.988 3.816 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009869458 569149309 /nfs/dbraw/zinc/14/93/09/569149309.db2.gz YIVHFLFOILEEEX-UHFFFAOYSA-N 0 0 434.525 3.533 50 0 IHAARN Cc1csc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000009882059 569149601 /nfs/dbraw/zinc/14/96/01/569149601.db2.gz UGXNKOYLBQOGLJ-UHFFFAOYSA-N 0 0 446.577 3.888 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 ZINC000009882311 569149698 /nfs/dbraw/zinc/14/96/98/569149698.db2.gz NWPRQOXVDMMEDP-HNNXBMFYSA-N 0 0 428.510 3.717 50 0 IHAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCc2[nH]c3ccccc3c2C1 ZINC000009955824 569151255 /nfs/dbraw/zinc/15/12/55/569151255.db2.gz GFCHURFOEYBSRL-UHFFFAOYSA-N 0 0 432.549 3.793 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000010220605 569152942 /nfs/dbraw/zinc/15/29/42/569152942.db2.gz NUGIUKOKRIHTRZ-UHFFFAOYSA-N 0 0 425.510 3.726 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000010217916 569153404 /nfs/dbraw/zinc/15/34/04/569153404.db2.gz JBGONXHJWULGCR-UYAOXDASSA-N 0 0 448.610 3.911 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000010254564 569154208 /nfs/dbraw/zinc/15/42/08/569154208.db2.gz PTPBPUKEFCLQNH-UHFFFAOYSA-N 0 0 449.960 3.843 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 ZINC000010254905 569154354 /nfs/dbraw/zinc/15/43/54/569154354.db2.gz ADGMFYFRQYCGSO-UHFFFAOYSA-N 0 0 438.553 3.921 50 0 IHAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000071823372 569154624 /nfs/dbraw/zinc/15/46/24/569154624.db2.gz NWXKYEUDSZHIHQ-UHFFFAOYSA-N 0 0 442.575 3.713 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000013360430 569155276 /nfs/dbraw/zinc/15/52/76/569155276.db2.gz WDUUMXPBFNTBGS-UHFFFAOYSA-N 0 0 443.550 3.541 50 0 IHAARN COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 ZINC000013696372 569156684 /nfs/dbraw/zinc/15/66/84/569156684.db2.gz UFFDVYJGTIIJKU-UHFFFAOYSA-N 0 0 428.554 3.759 50 0 IHAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)nc21 ZINC000013790878 569157070 /nfs/dbraw/zinc/15/70/70/569157070.db2.gz GQLRRGKXUBPYPR-GOSISDBHSA-N 0 0 443.594 3.810 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000013800700 569157101 /nfs/dbraw/zinc/15/71/01/569157101.db2.gz GKTLXYHFVCTQGI-VOMPUTFMSA-N 0 0 438.574 3.593 50 0 IHAARN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 ZINC000014152621 569157936 /nfs/dbraw/zinc/15/79/36/569157936.db2.gz CAGSYJCKRIGNQP-UHFFFAOYSA-N 0 0 433.873 3.819 50 0 IHAARN NC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000016730745 569160522 /nfs/dbraw/zinc/16/05/22/569160522.db2.gz IFJHYZHIMVTMMU-UHFFFAOYSA-N 0 0 432.295 3.983 50 0 IHAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000089835019 569165373 /nfs/dbraw/zinc/16/53/73/569165373.db2.gz CFKXDJZJGWRLIC-UHFFFAOYSA-N 0 0 447.560 3.694 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000014697243 569166592 /nfs/dbraw/zinc/16/65/92/569166592.db2.gz DLYGILPOUTTZTB-UHFFFAOYSA-N 0 0 438.505 3.822 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c1 ZINC000016943180 569166783 /nfs/dbraw/zinc/16/67/83/569166783.db2.gz GSJFSEXHYNRBLK-UHFFFAOYSA-N 0 0 433.436 3.872 50 0 IHAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000016942877 569166811 /nfs/dbraw/zinc/16/68/11/569166811.db2.gz BIKPWVTYKFGQBL-UHFFFAOYSA-N 0 0 442.928 3.908 50 0 IHAARN COc1ccc(C(=O)NCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016944559 569166911 /nfs/dbraw/zinc/16/69/11/569166911.db2.gz MRIDAOHKZGXBCC-UHFFFAOYSA-N 0 0 438.431 3.522 50 0 IHAARN COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000089904837 569167091 /nfs/dbraw/zinc/16/70/91/569167091.db2.gz IFEVOXKDMXJQPQ-MOPGFXCFSA-N 0 0 429.460 3.775 50 0 IHAARN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2noc(Cc3ccccc3F)n2)CC1 ZINC000089905802 569167200 /nfs/dbraw/zinc/16/72/00/569167200.db2.gz HOQSKHSECHMKJP-HNNXBMFYSA-N 0 0 428.895 3.972 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2nc(N2CCCCC2)c1=O ZINC000016959590 569167892 /nfs/dbraw/zinc/16/78/92/569167892.db2.gz VJSPZTKPZGXSDA-UHFFFAOYSA-N 0 0 426.904 3.688 50 0 IHAARN COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1Br ZINC000089938187 569168257 /nfs/dbraw/zinc/16/82/57/569168257.db2.gz OGALAIALPYYUBM-GFCCVEGCSA-N 0 0 428.327 3.931 50 0 IHAARN CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000089936828 569168310 /nfs/dbraw/zinc/16/83/10/569168310.db2.gz QPXIEUFJBJLBID-OKILXGFUSA-N 0 0 436.557 3.638 50 0 IHAARN Cc1nn(C(=O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000016976490 569168793 /nfs/dbraw/zinc/16/87/93/569168793.db2.gz YNDHBELTDAVMDM-UHFFFAOYSA-N 0 0 429.929 3.589 50 0 IHAARN CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@H](C)S(=O)(=O)C(C)C ZINC000089960798 569169004 /nfs/dbraw/zinc/16/90/04/569169004.db2.gz JKSPPFLYESLBCL-BLLLJJGKSA-N 0 0 438.373 3.658 50 0 IHAARN COc1ccccc1CCNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 ZINC000016978531 569169286 /nfs/dbraw/zinc/16/92/86/569169286.db2.gz FEXQDEKCHPDWRK-UHFFFAOYSA-N 0 0 430.574 3.897 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)n1 ZINC000089984707 569169965 /nfs/dbraw/zinc/16/99/65/569169965.db2.gz YEMFPMHWXKHIMG-GOSISDBHSA-N 0 0 445.541 3.722 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1C ZINC000001077747 569176697 /nfs/dbraw/zinc/17/66/97/569176697.db2.gz IULBTJXLEPDXFM-UHFFFAOYSA-N 0 0 434.583 3.765 50 0 IHAARN COc1ccccc1-c1nc(NC[C@@H]2CCCO2)nc2nn(-c3ccc(F)cc3)c(N)c21 ZINC000037359253 569176985 /nfs/dbraw/zinc/17/69/85/569176985.db2.gz YGXZMAKJOGPSPH-INIZCTEOSA-N 0 0 434.475 3.803 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002869302 569177489 /nfs/dbraw/zinc/17/74/89/569177489.db2.gz CHXVKWVZILPCDQ-INIZCTEOSA-N 0 0 426.494 3.793 50 0 IHAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c12 ZINC000002092467 569178826 /nfs/dbraw/zinc/17/88/26/569178826.db2.gz KZBALYBKYHAGII-UHFFFAOYSA-N 0 0 443.521 3.636 50 0 biogenic IHAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002096096 569179198 /nfs/dbraw/zinc/17/91/98/569179198.db2.gz MOQUDWSJMGRBCK-FQEVSTJZSA-N 0 0 443.521 3.716 50 0 biogenic IHAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002095823 569179223 /nfs/dbraw/zinc/17/92/23/569179223.db2.gz TXLKNHMVSPHQNG-MRXNPFEDSA-N 0 0 443.521 3.635 50 0 IHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)c1 ZINC000002100703 569179631 /nfs/dbraw/zinc/17/96/31/569179631.db2.gz ZRMGYFFYBVKXNF-DHLKQENFSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2sc(C)c(C)c2c1=O ZINC000002371361 569180777 /nfs/dbraw/zinc/18/07/77/569180777.db2.gz LGQGDAZZCKRKKT-UHFFFAOYSA-N 0 0 433.555 3.843 50 0 IHAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 ZINC000002107766 569181273 /nfs/dbraw/zinc/18/12/73/569181273.db2.gz MOGSNQDPWWYEKT-JOCHJYFZSA-N 0 0 443.521 3.572 50 0 biogenic IHAARN CC[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002109990 569181842 /nfs/dbraw/zinc/18/18/42/569181842.db2.gz MICDTNYKBXNWCV-SUEVOUGKSA-N 0 0 439.552 3.983 50 0 biogenic IHAARN COc1ccc(CCN2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4C(C)(C)N3C2=O)cc1OC ZINC000002121295 569183580 /nfs/dbraw/zinc/18/35/80/569183580.db2.gz IZMSTUUJTMUYMQ-IBGZPJMESA-N 0 0 433.508 3.852 50 0 biogenic IHAARN CCOc1ccccc1/C=c1/sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000002533580 569185845 /nfs/dbraw/zinc/18/58/45/569185845.db2.gz ZIBHGHYRCSPPGB-LFIBNONCSA-N 0 0 428.311 3.527 50 0 IHAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002148081 569187090 /nfs/dbraw/zinc/18/70/90/569187090.db2.gz PLHOCGMSICYSQF-FQEVSTJZSA-N 0 0 443.521 3.853 50 0 biogenic IHAARN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000252494588 569187808 /nfs/dbraw/zinc/18/78/08/569187808.db2.gz NZEUMAPVWGUQGN-UHFFFAOYSA-N 0 0 439.451 3.525 50 0 IHAARN CCc1ccc(-c2nnc(N3CCN([C@H](C)c4nccs4)CC3)n2CCCOC)cc1 ZINC000252494518 569187837 /nfs/dbraw/zinc/18/78/37/569187837.db2.gz NXUDDJNKMAHION-GOSISDBHSA-N 0 0 440.617 3.884 50 0 IHAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000037378183 569188621 /nfs/dbraw/zinc/18/86/21/569188621.db2.gz AITYJWKJYGHUKZ-UHFFFAOYSA-N 0 0 438.551 3.910 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000252511429 569188739 /nfs/dbraw/zinc/18/87/39/569188739.db2.gz GRDKKWFQNXNNII-ZKYUUJBMSA-N 0 0 448.922 3.985 50 0 IHAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCC(=O)OC(C)C)cc2oc1=O ZINC000002160741 569188955 /nfs/dbraw/zinc/18/89/55/569188955.db2.gz ZVZVODBOSPFNBQ-UHFFFAOYSA-N 0 0 436.416 3.905 50 0 biogenic IHAARN COC(=O)c1ccccc1-n1ncc(N[C@@H](C)c2ccc3c(c2)OCO3)c(Cl)c1=O ZINC000170649154 569189451 /nfs/dbraw/zinc/18/94/51/569189451.db2.gz ODXZLQBRSCMAME-LBPRGKRZSA-N 0 0 427.844 3.574 50 0 IHAARN O=C1N[C@@](NC2CCCCC2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000002192301 569190633 /nfs/dbraw/zinc/19/06/33/569190633.db2.gz HKROOWLNNBAHNU-OAHLLOKOSA-N 0 0 425.329 3.822 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002193596 569190846 /nfs/dbraw/zinc/19/08/46/569190846.db2.gz GFWXYXJMEHIBRN-FQEVSTJZSA-N 0 0 433.460 3.785 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252596000 569193190 /nfs/dbraw/zinc/19/31/90/569193190.db2.gz CFGHFDUJLFODEN-JVDUEOHDSA-N 0 0 444.556 3.772 50 0 IHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000252596001 569193192 /nfs/dbraw/zinc/19/31/92/569193192.db2.gz CFGHFDUJLFODEN-JXSPYZDWSA-N 0 0 444.556 3.772 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000037399103 569194276 /nfs/dbraw/zinc/19/42/76/569194276.db2.gz FORXPCDJWNKHEG-UHFFFAOYSA-N 0 0 449.894 3.762 50 0 IHAARN CN(Cc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000170669161 569194722 /nfs/dbraw/zinc/19/47/22/569194722.db2.gz FTRHZELHPPSLEQ-UHFFFAOYSA-N 0 0 437.500 3.871 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C[C@@H]3CCCO3)C(=O)C(C)C)c2)cc1 ZINC000037400536 569194916 /nfs/dbraw/zinc/19/49/16/569194916.db2.gz DBRDHGWYCGSEQF-NRFANRHFSA-N 0 0 447.553 3.627 50 0 IHAARN COCCNC(=O)c1cccc(Cn2cc(C)s/c2=N\C(=O)c2ccccc2Cl)c1 ZINC000037436045 569196166 /nfs/dbraw/zinc/19/61/66/569196166.db2.gz NLQOXDBOTFMRMG-LVWGJNHUSA-N 0 0 443.956 3.677 50 0 IHAARN CC(C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)o1 ZINC000037511226 569197946 /nfs/dbraw/zinc/19/79/46/569197946.db2.gz ABKSMNVDJPVHIV-UHFFFAOYSA-N 0 0 448.475 3.605 50 0 IHAARN COc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)Cc3ccco3)CC2)c1 ZINC000037525499 569199116 /nfs/dbraw/zinc/19/91/16/569199116.db2.gz PKARSUMMMWTPPZ-UHFFFAOYSA-N 0 0 447.535 3.959 50 0 IHAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2cccc(F)c2)c1=O ZINC000037558786 569200760 /nfs/dbraw/zinc/20/07/60/569200760.db2.gz IERLBZHQNYGZDJ-UHFFFAOYSA-N 0 0 442.441 3.861 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccccc2Cl)c1=O ZINC000037558016 569200828 /nfs/dbraw/zinc/20/08/28/569200828.db2.gz UJNQTUSXHYGCDZ-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN O=c1c(=Cc2ccncc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252666201 569209609 /nfs/dbraw/zinc/20/96/09/569209609.db2.gz ATXHTPXZIHDDQC-JOCHJYFZSA-N 0 0 427.554 3.775 50 0 IHAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252672555 569210004 /nfs/dbraw/zinc/21/00/04/569210004.db2.gz QFBODVHEBPEOMQ-LSDHHAIUSA-N 0 0 426.888 3.585 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)cc2)c3=O)cc1 ZINC000003632354 569211948 /nfs/dbraw/zinc/21/19/48/569211948.db2.gz YQPUBWNGAFRXSQ-UHFFFAOYSA-N 0 0 447.516 3.995 50 0 IHAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000002240468 569213589 /nfs/dbraw/zinc/21/35/89/569213589.db2.gz WNYDCKODXUGLKW-UHFFFAOYSA-N 0 0 444.582 3.681 50 0 IHAARN CC(=O)O[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000257347271 569263100 /nfs/dbraw/zinc/26/31/00/569263100.db2.gz CDKRMWAXMJVXDE-GXAPIWIVSA-N 0 0 432.557 3.743 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1 ZINC000253388014 569264358 /nfs/dbraw/zinc/26/43/58/569264358.db2.gz NIONFFUNILBGNG-QAQDUYKDSA-N 0 0 426.542 3.595 50 0 IHAARN COCCCn1c(COCc2ccccc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253397846 569264710 /nfs/dbraw/zinc/26/47/10/569264710.db2.gz XMCSPQGRQANEMO-QFIPXVFZSA-N 0 0 440.519 3.748 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)c(Cl)cc1Cl ZINC000253401678 569264928 /nfs/dbraw/zinc/26/49/28/569264928.db2.gz NKJTWSVOQLIWTC-MRXNPFEDSA-N 0 0 435.398 3.963 50 0 IHAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000253413337 569265993 /nfs/dbraw/zinc/26/59/93/569265993.db2.gz UNRDOZKYCUNGRA-QFIPXVFZSA-N 0 0 432.524 3.855 50 0 biogenic IHAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@](C)(CC)C3 ZINC000002290543 569267914 /nfs/dbraw/zinc/26/79/14/569267914.db2.gz JYNWTZOBUVNFLJ-HSZRJFAPSA-N 0 0 439.537 3.677 50 0 IHAARN CC(=O)N[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O ZINC000253503816 569283501 /nfs/dbraw/zinc/28/35/01/569283501.db2.gz XPIBCNBRWGFJER-SJCSCXSXSA-N 0 0 432.605 3.580 50 0 IHAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2n1 ZINC000002359012 569286131 /nfs/dbraw/zinc/28/61/31/569286131.db2.gz ZGCDMCAGBRPROR-JCMHNJIXSA-N 0 0 441.512 3.953 50 0 IHAARN NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1CC(=O)N1CCCC1 ZINC000252498387 569288021 /nfs/dbraw/zinc/28/80/21/569288021.db2.gz RAUYUEYZVIBBKE-UHFFFAOYSA-N 0 0 447.358 3.757 50 0 IHAARN COc1ccc2[nH]c(C(=O)Nc3nnc(CCc4ccc(OC)c(OC)c4)[nH]3)c(C)c2c1 ZINC000253412549 569288967 /nfs/dbraw/zinc/28/89/67/569288967.db2.gz RIDIXTBLTFCZMX-UHFFFAOYSA-N 0 0 435.484 3.658 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000027672491 569289609 /nfs/dbraw/zinc/28/96/09/569289609.db2.gz GWJJREZURIZJQZ-UHFFFAOYSA-N 0 0 425.535 3.966 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008855444 569291365 /nfs/dbraw/zinc/29/13/65/569291365.db2.gz NAEOYPWHGVQLAS-UHFFFAOYSA-N 0 0 431.535 3.916 50 0 IHAARN COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)ccc1OC(F)F ZINC000009247218 569294716 /nfs/dbraw/zinc/29/47/16/569294716.db2.gz VPMRKQRGFSDFGP-VQHVLOKHSA-N 0 0 425.815 3.823 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1)n2C ZINC000009445281 569296383 /nfs/dbraw/zinc/29/63/83/569296383.db2.gz IRIWLXHPDPIDTH-PXFSWQRTSA-N 0 0 443.594 3.710 50 0 IHAARN COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000027756263 569296839 /nfs/dbraw/zinc/29/68/39/569296839.db2.gz FYNKEMAWKYLHKA-ZDUSSCGKSA-N 0 0 446.327 3.971 50 0 IHAARN O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)NC(=O)NCc1ccco1 ZINC000009963873 569298649 /nfs/dbraw/zinc/29/86/49/569298649.db2.gz UAMGDECSCVHPIW-GZTJUZNOSA-N 0 0 428.441 3.590 50 0 IHAARN NC(=O)c1ccsc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000009963871 569298685 /nfs/dbraw/zinc/29/86/85/569298685.db2.gz RBTHLPUFLFUPCS-XNTDXEJSSA-N 0 0 430.482 3.770 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002422854 569302268 /nfs/dbraw/zinc/30/22/68/569302268.db2.gz FLZSHEQGLFRKQL-ZWKOTPCHSA-N 0 0 427.892 3.671 50 0 IHAARN COc1cc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(C)cc4)nc3C2)cc(OC)c1OC ZINC000002423982 569302377 /nfs/dbraw/zinc/30/23/77/569302377.db2.gz APPLCVZKONVAFE-INIZCTEOSA-N 0 0 447.491 3.976 50 0 IHAARN COc1ccc(-c2nnc3c(N(C)S(=O)(=O)c4ccccc4)nc4ccccc4n23)cc1 ZINC000002435909 569303824 /nfs/dbraw/zinc/30/38/24/569303824.db2.gz IRQVUUXGUAYTDP-UHFFFAOYSA-N 0 0 445.504 3.778 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)cs2)cc1 ZINC000012979484 569305673 /nfs/dbraw/zinc/30/56/73/569305673.db2.gz BACQWLPZWPGKFA-UHFFFAOYSA-N 0 0 441.528 3.924 50 0 IHAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000012982593 569305832 /nfs/dbraw/zinc/30/58/32/569305832.db2.gz LRCCTNVDOZQGFJ-SIFCLUCFSA-N 0 0 436.537 3.786 50 0 IHAARN CCOc1ccc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)cc1OCC ZINC000013005479 569306306 /nfs/dbraw/zinc/30/63/06/569306306.db2.gz GHRAJZSVCDMQNV-MDWZMJQESA-N 0 0 430.526 3.676 50 0 IHAARN CSCC[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O ZINC000013027334 569307371 /nfs/dbraw/zinc/30/73/71/569307371.db2.gz RKEXZYLXQKLTEU-INIZCTEOSA-N 0 0 433.327 3.806 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 ZINC000013038752 569307880 /nfs/dbraw/zinc/30/78/80/569307880.db2.gz BBGLIMJKESILKO-UHFFFAOYSA-N 0 0 432.904 3.537 50 0 IHAARN CN(CC(=O)NCCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1Cl ZINC000013062925 569308633 /nfs/dbraw/zinc/30/86/33/569308633.db2.gz ASCICCMYCBGGRW-UHFFFAOYSA-N 0 0 428.747 3.876 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000013108415 569310141 /nfs/dbraw/zinc/31/01/41/569310141.db2.gz FALOKKHJAJWYHW-QGZVFWFLSA-N 0 0 433.555 3.637 50 0 IHAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000013120928 569311138 /nfs/dbraw/zinc/31/11/38/569311138.db2.gz DBNBEKNEBGKFSE-UHFFFAOYSA-N 0 0 437.452 3.674 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000013148718 569312171 /nfs/dbraw/zinc/31/21/71/569312171.db2.gz UCOKRKZRGWOXQM-UHFFFAOYSA-N 0 0 441.509 3.750 50 0 IHAARN Cc1nc(CNC(=O)C2CCN(C(=O)Nc3cccc(Br)c3)CC2)cs1 ZINC000013354470 569313415 /nfs/dbraw/zinc/31/34/15/569313415.db2.gz JOLNDKUUZJDSPR-UHFFFAOYSA-N 0 0 437.363 3.774 50 0 IHAARN CCCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000013356972 569313670 /nfs/dbraw/zinc/31/36/70/569313670.db2.gz IVBPJVOTGXAXPL-UHFFFAOYSA-N 0 0 427.932 3.971 50 0 IHAARN Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)n1 ZINC000013398330 569315414 /nfs/dbraw/zinc/31/54/14/569315414.db2.gz NXVQGBCCERNHDO-UHFFFAOYSA-N 0 0 435.475 3.614 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000019298513 569317338 /nfs/dbraw/zinc/31/73/38/569317338.db2.gz DYIJAAQWMALABE-UHFFFAOYSA-N 0 0 432.860 3.775 50 0 IHAARN CC1CCN(C(=O)c2ccc(NS(=O)(=O)CCCOCc3ccccc3)cc2)CC1 ZINC000328595887 569317879 /nfs/dbraw/zinc/31/78/79/569317879.db2.gz IYDOZOYCOPLFJM-UHFFFAOYSA-N 0 0 430.570 3.907 50 0 IHAARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000078719414 569318573 /nfs/dbraw/zinc/31/85/73/569318573.db2.gz HQQQFGIFNAFPNP-KGYZHSKHSA-N 0 0 430.499 3.884 50 0 IHAARN CCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@@H]1C ZINC000078806568 569319144 /nfs/dbraw/zinc/31/91/44/569319144.db2.gz UWOJLEBKPKSBKO-SFHVURJKSA-N 0 0 426.561 3.580 50 0 IHAARN Cc1noc(-c2ccccc2C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000078876940 569319832 /nfs/dbraw/zinc/31/98/32/569319832.db2.gz LLELNAFTVUFZAJ-UHFFFAOYSA-N 0 0 443.301 3.827 50 0 IHAARN C[C@@H](NC(=O)C1CCCCC1)C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1 ZINC000078988986 569321517 /nfs/dbraw/zinc/32/15/17/569321517.db2.gz NRZLEFUVUDIMGZ-OAHLLOKOSA-N 0 0 448.361 3.822 50 0 IHAARN C[C@@H]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2S1 ZINC000079019938 569322332 /nfs/dbraw/zinc/32/23/32/569322332.db2.gz QJETUKQJQPELJO-CYBMUJFWSA-N 0 0 449.989 3.610 50 0 IHAARN COc1cc(NC2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc(OC)c1 ZINC000079046375 569323149 /nfs/dbraw/zinc/32/31/49/569323149.db2.gz HRGNQZOINSJAFR-AWEZNQCLSA-N 0 0 441.553 3.853 50 0 IHAARN Cc1c(NC(=O)[C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000079055019 569323556 /nfs/dbraw/zinc/32/35/56/569323556.db2.gz TZKZMCHVSIZTPI-MOPGFXCFSA-N 0 0 442.560 3.897 50 0 IHAARN CCc1ccc(-c2noc(CN(Cc3ccccc3F)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000079056000 569323676 /nfs/dbraw/zinc/32/36/76/569323676.db2.gz UCZVZDQDEFGWRC-IBGZPJMESA-N 0 0 429.517 3.627 50 0 IHAARN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 ZINC000079062547 569324194 /nfs/dbraw/zinc/32/41/94/569324194.db2.gz MCQAGDPCKJMEPA-UHFFFAOYSA-N 0 0 429.567 3.906 50 0 IHAARN COc1cccc2c1ccn2CCNC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000079188686 569327823 /nfs/dbraw/zinc/32/78/23/569327823.db2.gz FUDMQAUPKKPJKR-UHFFFAOYSA-N 0 0 434.492 3.822 50 0 biogenic IHAARN Cc1ccccc1NC(=O)Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000019983063 569332299 /nfs/dbraw/zinc/33/22/99/569332299.db2.gz YEDNPEFFKXLCTQ-UHFFFAOYSA-N 0 0 436.581 3.880 50 0 IHAARN O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCN(C2CCCCC2)CC1 ZINC000020105336 569334268 /nfs/dbraw/zinc/33/42/68/569334268.db2.gz LHTBRUOGRLWOBZ-UHFFFAOYSA-N 0 0 430.595 3.793 50 0 IHAARN Cc1cc2ccccc2n1CCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829724 569354146 /nfs/dbraw/zinc/35/41/46/569354146.db2.gz GDQPBLCJFPFECJ-JOCHJYFZSA-N 0 0 428.529 3.867 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2cc(OC)ccc2OC)c3=O)cc1 ZINC000094993034 569355804 /nfs/dbraw/zinc/35/58/04/569355804.db2.gz BODYSAKFNCQZGL-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCCC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208776 569356046 /nfs/dbraw/zinc/35/60/46/569356046.db2.gz AIKGQVKZHWQDRJ-DNQXCXABSA-N 0 0 434.536 3.943 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214378 569356558 /nfs/dbraw/zinc/35/65/58/569356558.db2.gz ZFUSXPQTQQFCOE-QHCPKHFHSA-N 0 0 435.524 3.708 50 0 IHAARN CCOc1cc(-c2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc(OCC)c1OCC ZINC000020330862 569360889 /nfs/dbraw/zinc/36/08/89/569360889.db2.gz DIGAOCXNTNQNDI-UHFFFAOYSA-N 0 0 445.541 3.874 50 0 IHAARN O=C(CCCNC(=O)c1ccco1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000095350460 569361980 /nfs/dbraw/zinc/36/19/80/569361980.db2.gz ZDOJUZRBJZJNIM-UHFFFAOYSA-N 0 0 435.253 3.720 50 0 IHAARN Cc1cc2sc(N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)nc2c(C)c1 ZINC000020383772 569362755 /nfs/dbraw/zinc/36/27/55/569362755.db2.gz XWTYQKZHQWOYES-LJQANCHMSA-N 0 0 435.597 3.873 50 0 IHAARN CCCOc1ccc(CNC(=O)CCCn2nc(CC)n3c4ccoc4cc3c2=O)cc1 ZINC000020386317 569363158 /nfs/dbraw/zinc/36/31/58/569363158.db2.gz POEHKNQVDAXWLQ-UHFFFAOYSA-N 0 0 436.512 3.690 50 0 IHAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000020397443 569363427 /nfs/dbraw/zinc/36/34/27/569363427.db2.gz NBWSDPYECNEGRT-NRFANRHFSA-N 0 0 437.565 3.880 50 0 IHAARN COc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000095393870 569363540 /nfs/dbraw/zinc/36/35/40/569363540.db2.gz VKKNHQYVQHYCQE-IRXDYDNUSA-N 0 0 428.533 3.646 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000020416929 569364638 /nfs/dbraw/zinc/36/46/38/569364638.db2.gz QWQORAIAXMIXDW-KRWDZBQOSA-N 0 0 443.507 3.962 50 0 IHAARN Cc1sc2nc(CCC(=O)NCc3ccc(C)cc3OCC3CC3)[nH]c(=O)c2c1C ZINC000095410201 569365141 /nfs/dbraw/zinc/36/51/41/569365141.db2.gz GZQOZJXGALVAHW-UHFFFAOYSA-N 0 0 425.554 3.948 50 0 IHAARN CC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000095417050 569365454 /nfs/dbraw/zinc/36/54/54/569365454.db2.gz MFDFVOKIHVPCSC-UHFFFAOYSA-N 0 0 445.357 3.811 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](C)C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC000095423965 569365736 /nfs/dbraw/zinc/36/57/36/569365736.db2.gz DVICZQUJNXXGCL-SPLOXXLWSA-N 0 0 427.472 3.810 50 0 IHAARN COc1c(Br)cc(Br)cc1CN1CCC[C@@H](CNC(C)=O)C1 ZINC000095430360 569366129 /nfs/dbraw/zinc/36/61/29/569366129.db2.gz BICBUQMNVQECSQ-LBPRGKRZSA-N 0 0 434.172 3.568 50 0 IHAARN CC(C)c1nc(CCNC(=O)c2ccnc(Cl)c2I)cs1 ZINC000095449283 569367599 /nfs/dbraw/zinc/36/75/99/569367599.db2.gz FTRRDMVWTQQBEJ-UHFFFAOYSA-N 0 0 435.718 3.892 50 0 IHAARN CC(C)n1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)cn1 ZINC000095452556 569368142 /nfs/dbraw/zinc/36/81/42/569368142.db2.gz OOGJUKIBSIEDDU-UHFFFAOYSA-N 0 0 429.933 3.935 50 0 IHAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)c1 ZINC000095457981 569369071 /nfs/dbraw/zinc/36/90/71/569369071.db2.gz SFDOVMSGUQQGEW-IEBWSBKVSA-N 0 0 426.561 3.879 50 0 IHAARN CC(C)(c1ccccc1)[C@@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(F)(F)F ZINC000095458081 569369074 /nfs/dbraw/zinc/36/90/74/569369074.db2.gz IQJGZRZEMYRAMR-LJQANCHMSA-N 0 0 434.414 3.532 50 0 IHAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 ZINC000095466070 569370801 /nfs/dbraw/zinc/37/08/01/569370801.db2.gz NQGLUIPOBSIQLU-LLVKDONJSA-N 0 0 443.369 3.826 50 0 IHAARN O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)c1cnn(-c2ccccc2)c1 ZINC000095469293 569371591 /nfs/dbraw/zinc/37/15/91/569371591.db2.gz WDVRYRBSQBTBCH-UHFFFAOYSA-N 0 0 438.285 3.701 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)n1 ZINC000095474129 569372631 /nfs/dbraw/zinc/37/26/31/569372631.db2.gz WBUGCNZSSZCLJR-UHFFFAOYSA-N 0 0 441.332 3.715 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000095480604 569373962 /nfs/dbraw/zinc/37/39/62/569373962.db2.gz LGNGWSXHQOBCKW-HNNXBMFYSA-N 0 0 445.361 3.878 50 0 IHAARN CSc1nnc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)s1 ZINC000095481919 569374196 /nfs/dbraw/zinc/37/41/96/569374196.db2.gz MQIXUHUYFCYQDV-UHFFFAOYSA-N 0 0 434.528 3.648 50 0 IHAARN C[C@H](c1ccccn1)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC000095943197 569375717 /nfs/dbraw/zinc/37/57/17/569375717.db2.gz JJQHLOXLMLPBKZ-HXUWFJFHSA-N 0 0 449.576 3.575 50 0 IHAARN O=S(=O)(c1ccccc1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948969 569376515 /nfs/dbraw/zinc/37/65/15/569376515.db2.gz ARCAEAISQHRTCH-UHFFFAOYSA-N 0 0 436.459 3.550 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2nc(-c3cccnc3)no2)cs1 ZINC000095966393 569377345 /nfs/dbraw/zinc/37/73/45/569377345.db2.gz BYBKXUXLKJGHQT-UHFFFAOYSA-N 0 0 446.536 3.585 50 0 IHAARN CCOc1ccccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F ZINC000095993586 569378425 /nfs/dbraw/zinc/37/84/25/569378425.db2.gz GTFPMUOUHADAET-YOEHRIQHSA-N 0 0 446.466 3.911 50 0 IHAARN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N(C)CCc3ccc(F)cc3)cs2)c1 ZINC000096004312 569379148 /nfs/dbraw/zinc/37/91/48/569379148.db2.gz YJNCPQWKASJCHM-UHFFFAOYSA-N 0 0 427.501 3.792 50 0 IHAARN COC(=O)CCN(C(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(F)c1 ZINC000096006710 569379516 /nfs/dbraw/zinc/37/95/16/569379516.db2.gz YEEHWUAHEGSTHL-UHFFFAOYSA-N 0 0 446.276 3.984 50 0 IHAARN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2ccncc2)CC2CCCC2)c1 ZINC000096011992 569380032 /nfs/dbraw/zinc/38/00/32/569380032.db2.gz RTVNQTLMJWLQIK-QGZVFWFLSA-N 0 0 435.977 3.565 50 0 IHAARN CCSc1ccccc1N1CCN(CCCN2C(=O)C[C@H](c3ccccc3)C2=O)CC1 ZINC000096027639 569380827 /nfs/dbraw/zinc/38/08/27/569380827.db2.gz BOVOWVZVCDDVIA-OAQYLSRUSA-N 0 0 437.609 3.853 50 0 IHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3F)C2=O)cc1)N1CCOCC1 ZINC000096095972 569381052 /nfs/dbraw/zinc/38/10/52/569381052.db2.gz VOOCPDQPRFRUBM-UNOMPAQXSA-N 0 0 444.459 3.674 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096951 569381318 /nfs/dbraw/zinc/38/13/18/569381318.db2.gz FAENQYPDSXTHDH-UHFFFAOYSA-N 0 0 425.710 3.946 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 ZINC000096104092 569382127 /nfs/dbraw/zinc/38/21/27/569382127.db2.gz SAJPRUPJNFQDDI-UHFFFAOYSA-N 0 0 429.586 3.917 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000096105380 569382337 /nfs/dbraw/zinc/38/23/37/569382337.db2.gz NJKLHGIGOIVYCK-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)c4ccccc4)c12)OC(C)(C)CC3 ZINC000096113781 569382552 /nfs/dbraw/zinc/38/25/52/569382552.db2.gz YYUCTKYNHNFZLJ-UHFFFAOYSA-N 0 0 435.476 3.583 50 0 biogenic IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4nccc5ccccc54)CC3)C2=O)c1 ZINC000096105591 569382604 /nfs/dbraw/zinc/38/26/04/569382604.db2.gz UMYLFPAHPXVSIS-UHFFFAOYSA-N 0 0 442.519 3.578 50 0 IHAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCCc1ccccc1 ZINC000096116027 569383474 /nfs/dbraw/zinc/38/34/74/569383474.db2.gz CIPXGPFMIWYLLR-UHFFFAOYSA-N 0 0 448.526 3.933 50 0 biogenic IHAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4CC(C)C)C2=O)cc1 ZINC000096116404 569383770 /nfs/dbraw/zinc/38/37/70/569383770.db2.gz NLBMCERHXODLBI-NRFANRHFSA-N 0 0 448.523 3.755 50 0 biogenic IHAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117732 569384226 /nfs/dbraw/zinc/38/42/26/569384226.db2.gz DNDPYEHOIXWJFG-UGSOOPFHSA-N 0 0 433.530 3.915 50 0 IHAARN CC(C)[C@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000096118653 569384569 /nfs/dbraw/zinc/38/45/69/569384569.db2.gz ANPPRFOQZKGNFW-QFIPXVFZSA-N 0 0 432.528 3.742 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119690 569384783 /nfs/dbraw/zinc/38/47/83/569384783.db2.gz GENCZEXRIXYQTP-UHFFFAOYSA-N 0 0 437.477 3.723 50 0 IHAARN COC(=O)c1cc(NC(=O)/C=C\c2cccc(OC)c2OC(F)F)cc(C(=O)OC)c1 ZINC000096124630 569385542 /nfs/dbraw/zinc/38/55/42/569385542.db2.gz ZDLCNNXNXUHKKK-FPLPWBNLSA-N 0 0 435.379 3.522 50 0 IHAARN CC(C)Cn1c(C[C@@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc2cccnc21 ZINC000096125021 569385611 /nfs/dbraw/zinc/38/56/11/569385611.db2.gz ITOJZKTUWLKBGX-KRWDZBQOSA-N 0 0 430.549 3.621 50 0 IHAARN CC(C)Cn1c(C[C@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc2cccnc21 ZINC000096125022 569385653 /nfs/dbraw/zinc/38/56/53/569385653.db2.gz ITOJZKTUWLKBGX-QGZVFWFLSA-N 0 0 430.549 3.621 50 0 IHAARN COc1cc(-c2noc(CCN(CC(C)C)C(=O)c3ccco3)n2)cc(OC)c1OC ZINC000096276032 569388420 /nfs/dbraw/zinc/38/84/20/569388420.db2.gz XIONLVLQJCWONL-UHFFFAOYSA-N 0 0 429.473 3.696 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)NC(C)C)cc2)cc1 ZINC000096289278 569390689 /nfs/dbraw/zinc/39/06/89/569390689.db2.gz FGEZERBYKUGFEG-UHFFFAOYSA-N 0 0 432.542 3.793 50 0 IHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000096297366 569391904 /nfs/dbraw/zinc/39/19/04/569391904.db2.gz IRDDNVUFRRBXFA-AEFFLSMTSA-N 0 0 446.290 3.599 50 0 IHAARN CCc1nc(C2CC2)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1cccc(Cl)c1 ZINC000096316851 569392840 /nfs/dbraw/zinc/39/28/40/569392840.db2.gz OOZGDVMAHOEQRY-UHFFFAOYSA-N 0 0 449.020 3.632 50 0 IHAARN CCCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2[nH]c1=O ZINC000096321564 569394156 /nfs/dbraw/zinc/39/41/56/569394156.db2.gz VLRBYDCKJORFFU-KRWDZBQOSA-N 0 0 431.496 3.927 50 0 IHAARN CCOc1cccc(-c2noc(Cn3ccn4nc(-c5cccc(OC)c5)cc4c3=O)n2)c1 ZINC000096322283 569394425 /nfs/dbraw/zinc/39/44/25/569394425.db2.gz VQCABCJFQIJKPX-UHFFFAOYSA-N 0 0 443.463 3.669 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096322202 569394438 /nfs/dbraw/zinc/39/44/38/569394438.db2.gz FPTVHDQYEKOQKG-UHFFFAOYSA-N 0 0 448.951 3.793 50 0 IHAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)ccc1=O ZINC000096324009 569395608 /nfs/dbraw/zinc/39/56/08/569395608.db2.gz XUEPUPANGINGTE-UHFFFAOYSA-N 0 0 436.493 3.614 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324649 569395910 /nfs/dbraw/zinc/39/59/10/569395910.db2.gz CGLJMHIPLHYAAE-UHFFFAOYSA-N 0 0 443.429 3.981 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(-n3ccnc3SCC(=O)NC3CCCC3)cc2)o1 ZINC000096324496 569395993 /nfs/dbraw/zinc/39/59/93/569395993.db2.gz UFRUYLWIEVHMDU-UHFFFAOYSA-N 0 0 438.553 3.855 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)s2)CC1 ZINC000096326144 569396084 /nfs/dbraw/zinc/39/60/84/569396084.db2.gz WOQUFOHWNNLDLW-UHFFFAOYSA-N 0 0 445.610 3.899 50 0 IHAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000096326168 569396132 /nfs/dbraw/zinc/39/61/32/569396132.db2.gz ZMTCDSPQNFRZMQ-UHFFFAOYSA-N 0 0 431.583 3.653 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1cc(F)ccc1F)C2 ZINC000096331526 569396433 /nfs/dbraw/zinc/39/64/33/569396433.db2.gz SKJZNLVCUOPNPQ-UHFFFAOYSA-N 0 0 435.434 3.538 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2 ZINC000096331525 569396444 /nfs/dbraw/zinc/39/64/44/569396444.db2.gz UCYDZMRPEDVQMZ-UHFFFAOYSA-N 0 0 435.434 3.538 50 0 IHAARN Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCO3)[C@H](C(=O)Nc1ccc(Cl)cc1)O2 ZINC000096336013 569396749 /nfs/dbraw/zinc/39/67/49/569396749.db2.gz METNQRVYFVYZHC-AZUAARDMSA-N 0 0 425.824 3.862 50 0 IHAARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4ccccc4Cl)CC3)ccc2=O)cc1 ZINC000096358607 569397513 /nfs/dbraw/zinc/39/75/13/569397513.db2.gz XYIZIRTVCBBEKZ-UHFFFAOYSA-N 0 0 436.943 3.972 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1 ZINC000096382671 569398210 /nfs/dbraw/zinc/39/82/10/569398210.db2.gz AYUDSYUNBCDSQY-UHFFFAOYSA-N 0 0 439.537 3.834 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)cc1OC ZINC000096386276 569398421 /nfs/dbraw/zinc/39/84/21/569398421.db2.gz OZDARCINWOCFDB-UHFFFAOYSA-N 0 0 434.467 3.862 50 0 IHAARN CCc1nc2cc(N3CCC(C(=O)Nc4ccc(NC(C)=O)cc4)CC3)cnc2nc1CC ZINC000096387402 569398998 /nfs/dbraw/zinc/39/89/98/569398998.db2.gz FHHIFCNGIDGROA-UHFFFAOYSA-N 0 0 446.555 3.963 50 0 IHAARN O=C(Nc1ccccc1Br)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096398142 569399592 /nfs/dbraw/zinc/39/95/92/569399592.db2.gz UJMOYZYEXUAJOU-UHFFFAOYSA-N 0 0 427.306 3.588 50 0 IHAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3cccc(Cl)c3)sc2c1 ZINC000096399498 569399995 /nfs/dbraw/zinc/39/99/95/569399995.db2.gz IFRZDFFWNHBJDQ-UHFFFAOYSA-N 0 0 441.987 3.730 50 0 IHAARN CCC(CC)C(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022322367 569402812 /nfs/dbraw/zinc/40/28/12/569402812.db2.gz SFLXSIQSTLGRCM-UHFFFAOYSA-N 0 0 432.948 3.953 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC ZINC000002475753 569404372 /nfs/dbraw/zinc/40/43/72/569404372.db2.gz CPMXHXWMJMIWQJ-UHFFFAOYSA-N 0 0 446.481 3.755 50 0 IHAARN O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)[nH]n1 ZINC000225561261 569404526 /nfs/dbraw/zinc/40/45/26/569404526.db2.gz JCXAFWJMYIOFIA-UHFFFAOYSA-N 0 0 448.458 3.804 50 0 IHAARN COc1ccccc1N(C[C@@H](O)COc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000002483276 569404960 /nfs/dbraw/zinc/40/49/60/569404960.db2.gz NNJHIWSTINEANA-GOSISDBHSA-N 0 0 447.940 3.984 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc(Br)cc3)ccc12 ZINC000002490321 569405418 /nfs/dbraw/zinc/40/54/18/569405418.db2.gz LMTIRUBBEDWUNH-UHFFFAOYSA-N 0 0 431.238 3.669 50 0 IHAARN Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](c1cccnc1)C1CCOCC1 ZINC000225620097 569405803 /nfs/dbraw/zinc/40/58/03/569405803.db2.gz IIPBKBFJLPLLBI-SFHVURJKSA-N 0 0 429.318 3.629 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225727499 569407542 /nfs/dbraw/zinc/40/75/42/569407542.db2.gz YEEKBFWIIFNXRG-UHFFFAOYSA-N 0 0 439.488 3.546 50 0 IHAARN CCn1cc(Br)c(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)n1 ZINC000028231164 569409290 /nfs/dbraw/zinc/40/92/90/569409290.db2.gz WEOHGZXLBHIZTN-UHFFFAOYSA-N 0 0 426.677 3.955 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000215673085 569411299 /nfs/dbraw/zinc/41/12/99/569411299.db2.gz TVPLGSJKPDWVKA-HXUWFJFHSA-N 0 0 425.529 3.666 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@H](C)O1 ZINC000215685544 569412098 /nfs/dbraw/zinc/41/20/98/569412098.db2.gz MOKVWULACIIHPM-ISTVAULSSA-N 0 0 433.382 3.753 50 0 IHAARN C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCC(=O)NCc1ccco1)c1ccccc1 ZINC000002633110 569412577 /nfs/dbraw/zinc/41/25/77/569412577.db2.gz UAVFAEJWOKATFV-NRFANRHFSA-N 0 0 437.565 3.721 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)[C@@H]3COc4ccccc4O3)cs2)c1 ZINC000002640751 569413638 /nfs/dbraw/zinc/41/36/38/569413638.db2.gz TYUYHOYXUAKJJL-FQEVSTJZSA-N 0 0 438.505 3.824 50 0 IHAARN CCc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002645290 569414087 /nfs/dbraw/zinc/41/40/87/569414087.db2.gz JPRHCIXTRIAVSY-SANMLTNESA-N 0 0 427.504 3.878 50 0 IHAARN CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000002648837 569414521 /nfs/dbraw/zinc/41/45/21/569414521.db2.gz MYIWGNLQHTYPLB-UHFFFAOYSA-N 0 0 436.961 3.636 50 0 IHAARN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)CCCC2 ZINC000002653325 569415186 /nfs/dbraw/zinc/41/51/86/569415186.db2.gz QWOFZEOIPDRLLV-GFCCVEGCSA-N 0 0 443.525 3.728 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1S(=O)(=O)N1CCCC1 ZINC000002656715 569415545 /nfs/dbraw/zinc/41/55/45/569415545.db2.gz BTTFVOVPRVUFOA-UHFFFAOYSA-N 0 0 438.933 3.702 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2)cc1C ZINC000002725821 569418535 /nfs/dbraw/zinc/41/85/35/569418535.db2.gz FNKMQBNZJRSDMV-GOSISDBHSA-N 0 0 442.537 3.805 50 0 IHAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000230059451 569419745 /nfs/dbraw/zinc/41/97/45/569419745.db2.gz AYMRJRDJJQJWPU-HUUCEWRRSA-N 0 0 443.388 3.905 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000002753599 569420341 /nfs/dbraw/zinc/42/03/41/569420341.db2.gz UCSZGPXDFDKRMR-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)o3)CC2)c1C ZINC000002762369 569420610 /nfs/dbraw/zinc/42/06/10/569420610.db2.gz OXQMCAGYCJJWOZ-UHFFFAOYSA-N 0 0 443.345 3.866 50 0 IHAARN CCn1nc(C)c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)c1C ZINC000002774954 569420937 /nfs/dbraw/zinc/42/09/37/569420937.db2.gz HMNOENAETNODDS-GFCCVEGCSA-N 0 0 432.313 3.944 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)c1cc3nc(C4CC4)cc(C(F)F)n3n1)CCCC2 ZINC000002779080 569421121 /nfs/dbraw/zinc/42/11/21/569421121.db2.gz YSPMSXLVWVBNLM-UHFFFAOYSA-N 0 0 431.468 3.836 50 0 IHAARN S=C1N=NC(c2ccc(COc3ccc4c(c3)CCC4)o2)N1CCCN1CCOCC1 ZINC000002790854 569421814 /nfs/dbraw/zinc/42/18/14/569421814.db2.gz HCIMOSYRRNSRDJ-UHFFFAOYSA-N 0 0 440.569 3.617 50 0 IHAARN CCn1cc(Br)c(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)n1 ZINC000002808323 569422802 /nfs/dbraw/zinc/42/28/02/569422802.db2.gz NYNIMGVATGLEEY-UHFFFAOYSA-N 0 0 442.667 3.549 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC2CCCC2)cc1 ZINC000002908690 569424579 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50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003491407 569452565 /nfs/dbraw/zinc/45/25/65/569452565.db2.gz OWHPTUPSZPOTQQ-UHFFFAOYSA-N 0 0 438.340 3.695 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000003542824 569453635 /nfs/dbraw/zinc/45/36/35/569453635.db2.gz AREYGWUVLMEUJV-QGZVFWFLSA-N 0 0 441.557 3.633 50 0 IHAARN CN(C)c1nc2cc(C(=O)NC[C@@H]3CCCO3)sc2n1-c1ccc(Br)cc1 ZINC000058393321 569454136 /nfs/dbraw/zinc/45/41/36/569454136.db2.gz DWGAXWFBGNNQDX-AWEZNQCLSA-N 0 0 449.374 3.824 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NCc1cccs1 ZINC000003579983 569454353 /nfs/dbraw/zinc/45/43/53/569454353.db2.gz RQUPUVAZPSFGRH-UHFFFAOYSA-N 0 0 425.510 3.995 50 0 IHAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000031192002 569454623 /nfs/dbraw/zinc/45/46/23/569454623.db2.gz SOHGTNFUDLISIE-UHFFFAOYSA-N 0 0 444.466 3.870 50 0 IHAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031190113 569454650 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COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)ccc2OC)C12CCCC2 ZINC000032073140 569459301 /nfs/dbraw/zinc/45/93/01/569459301.db2.gz YPDMBICRBPMWIE-JOCHJYFZSA-N 0 0 438.524 3.841 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)cc1OC ZINC000032092187 569459643 /nfs/dbraw/zinc/45/96/43/569459643.db2.gz KZVNPRBTLNTRKS-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229602914 569461024 /nfs/dbraw/zinc/46/10/24/569461024.db2.gz MVBFBZGUDXDXJB-YRPNKDGESA-N 0 0 435.911 3.834 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032411252 569461606 /nfs/dbraw/zinc/46/16/06/569461606.db2.gz QLQKRNSQNNTVLY-UHFFFAOYSA-N 0 0 427.497 3.612 50 0 IHAARN CC(=O)Nc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)ccc1F ZINC000032458243 569461768 /nfs/dbraw/zinc/46/17/68/569461768.db2.gz PELADRULMKEKKB-LBPRGKRZSA-N 0 0 434.265 3.538 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000038180764 569462329 /nfs/dbraw/zinc/46/23/29/569462329.db2.gz HWTPIFMCSOYGEI-KGLIPLIRSA-N 0 0 427.858 3.584 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2ccncc2)cc1OC ZINC000038486432 569462773 /nfs/dbraw/zinc/46/27/73/569462773.db2.gz UWBBIYNZDNRXCT-UHFFFAOYSA-N 0 0 443.507 3.893 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000038488036 569462960 /nfs/dbraw/zinc/46/29/60/569462960.db2.gz KFKQDHIBCQEDQA-UHFFFAOYSA-N 0 0 437.550 3.787 50 0 IHAARN CC(=O)[C@@H]1C(=O)N(c2ccccn2)C(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1 ZINC000008430798 569464225 /nfs/dbraw/zinc/46/42/25/569464225.db2.gz QOVDNPGCDURQNX-GOTSBHOMSA-N 0 0 426.476 3.725 50 0 IHAARN O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc(Br)s1 ZINC000067207002 569464698 /nfs/dbraw/zinc/46/46/98/569464698.db2.gz FGZNAWMDESCJRJ-UHFFFAOYSA-N 0 0 449.717 3.918 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)cc1 ZINC000008445752 569464829 /nfs/dbraw/zinc/46/48/29/569464829.db2.gz VGZDDBHWZDKRIO-UHFFFAOYSA-N 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ZINC000008708412 569470691 /nfs/dbraw/zinc/47/06/91/569470691.db2.gz LBNGHZJHCZJHPQ-UHFFFAOYSA-N 0 0 438.553 3.665 50 0 IHAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008709489 569470782 /nfs/dbraw/zinc/47/07/82/569470782.db2.gz LSYNSLPOLFTQAU-CYBMUJFWSA-N 0 0 426.523 3.581 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008719105 569471369 /nfs/dbraw/zinc/47/13/69/569471369.db2.gz YFOLKIGUROWNRM-NSYGIPOTSA-N 0 0 437.540 3.669 50 0 IHAARN CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 ZINC000008719422 569471424 /nfs/dbraw/zinc/47/14/24/569471424.db2.gz UMJCOONSDJBQLT-UHFFFAOYSA-N 0 0 429.477 3.553 50 0 IHAARN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)c1ccccc1 ZINC000008725695 569472194 /nfs/dbraw/zinc/47/21/94/569472194.db2.gz WJSOQHCWCGYSBH-INIZCTEOSA-N 0 0 438.505 3.750 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000008735747 569472665 /nfs/dbraw/zinc/47/26/65/569472665.db2.gz LSOBOVNGXYIADX-CYBMUJFWSA-N 0 0 437.334 3.934 50 0 IHAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O ZINC000008746012 569473040 /nfs/dbraw/zinc/47/30/40/569473040.db2.gz VXDIQXNMUPIPMN-QHCPKHFHSA-N 0 0 425.460 3.672 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1C ZINC000008751945 569473487 /nfs/dbraw/zinc/47/34/87/569473487.db2.gz DRPBZPASUHXKHW-UHFFFAOYSA-N 0 0 439.508 3.727 50 0 biogenic IHAARN COc1cccc(NC(=O)Cn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@@H]32)c1 ZINC000008752049 569473549 /nfs/dbraw/zinc/47/35/49/569473549.db2.gz LNLQCSGDEHJTLP-DJJJIMSYSA-N 0 0 440.546 3.803 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000008754172 569473786 /nfs/dbraw/zinc/47/37/86/569473786.db2.gz JXQRPBGEFHMDTP-UHFFFAOYSA-N 0 0 443.341 3.964 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2NC1=O ZINC000008753947 569473797 /nfs/dbraw/zinc/47/37/97/569473797.db2.gz LNLHQHSXAHFEBW-AWEZNQCLSA-N 0 0 449.536 3.654 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)NC[C@@H](O)c4ccccc4)ccc3c2=O)cc1 ZINC000008764934 569474700 /nfs/dbraw/zinc/47/47/00/569474700.db2.gz QMHQFGDTVXGHDM-HSZRJFAPSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN Cc1c(-c2cc(C(=O)Nc3cnn(COCC(F)(F)F)c3)c3ccccc3n2)cnn1C ZINC000008782442 569475805 /nfs/dbraw/zinc/47/58/05/569475805.db2.gz FWUPIZVKUSUHST-UHFFFAOYSA-N 0 0 444.417 3.929 50 0 IHAARN CCCCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789871 569475977 /nfs/dbraw/zinc/47/59/77/569475977.db2.gz PSOZGBXLJXJJBO-CPJSRVTESA-N 0 0 438.572 3.925 50 0 biogenic IHAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)c12)OC(C)(C)CC3 ZINC000008791877 569476321 /nfs/dbraw/zinc/47/63/21/569476321.db2.gz QLIKWMGTKYGRNG-UHFFFAOYSA-N 0 0 447.491 3.775 50 0 biogenic IHAARN O=C(NCCc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000008813366 569476660 /nfs/dbraw/zinc/47/66/60/569476660.db2.gz COZHEYNWMZUJMI-UHFFFAOYSA-N 0 0 434.989 3.784 50 0 IHAARN CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Br)cc21 ZINC000008818494 569477023 /nfs/dbraw/zinc/47/70/23/569477023.db2.gz GJUXROHLYOUHSK-LJQANCHMSA-N 0 0 438.705 3.695 50 0 IHAARN O=C(OCc1nc2ccccc2o1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000008826466 569477583 /nfs/dbraw/zinc/47/75/83/569477583.db2.gz BWCXIVFQHBJXGR-UHFFFAOYSA-N 0 0 425.466 3.666 50 0 IHAARN O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1ccccc1 ZINC000008833856 569477913 /nfs/dbraw/zinc/47/79/13/569477913.db2.gz PMMCUNXLKJUCMK-OAHLLOKOSA-N 0 0 431.320 3.728 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000008834672 569477934 /nfs/dbraw/zinc/47/79/34/569477934.db2.gz RVNDTNSMYCBQQY-UHFFFAOYSA-N 0 0 446.253 3.993 50 0 IHAARN CCc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)s1 ZINC000008838504 569478285 /nfs/dbraw/zinc/47/82/85/569478285.db2.gz AXJBEQWOQSPSBJ-LLVKDONJSA-N 0 0 435.354 3.921 50 0 IHAARN COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000008861775 569480051 /nfs/dbraw/zinc/48/00/51/569480051.db2.gz QJEAWVBEVRPRDM-OAHLLOKOSA-N 0 0 433.835 3.647 50 0 IHAARN CCNC(=O)N1CCc2c3ccccc3[nH]c2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000008876580 569481162 /nfs/dbraw/zinc/48/11/62/569481162.db2.gz JBKCNXCQENYSKV-OAQYLSRUSA-N 0 0 439.313 3.714 50 0 biogenic IHAARN COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc(O)c(C)c4oc3=O)c2c1 ZINC000008877336 569481225 /nfs/dbraw/zinc/48/12/25/569481225.db2.gz DLEMNYFQAATYFH-UHFFFAOYSA-N 0 0 434.492 3.897 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1nc2ccccc2nc1C ZINC000039611389 569481802 /nfs/dbraw/zinc/48/18/02/569481802.db2.gz STBRJOYYDRWZQU-UHFFFAOYSA-N 0 0 439.537 3.778 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 ZINC000039975556 569482133 /nfs/dbraw/zinc/48/21/33/569482133.db2.gz DYKUVFRWZDZBKS-UHFFFAOYSA-N 0 0 433.493 3.749 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000040050993 569484336 /nfs/dbraw/zinc/48/43/36/569484336.db2.gz CRAIVFSTSHBOJT-UHFFFAOYSA-N 0 0 432.402 3.953 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCc2ccccc21 ZINC000008901481 569484377 /nfs/dbraw/zinc/48/43/77/569484377.db2.gz MWLSPXSVVXFGLY-FUHWJXTLSA-N 0 0 435.549 3.645 50 0 IHAARN Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000040052022 569484459 /nfs/dbraw/zinc/48/44/59/569484459.db2.gz RDZZYSWBAHIHSO-FQEVSTJZSA-N 0 0 448.548 3.812 50 0 IHAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1cc2ccccc2o1 ZINC000008910235 569484812 /nfs/dbraw/zinc/48/48/12/569484812.db2.gz SDPGLPHTKIKJEK-UHFFFAOYSA-N 0 0 427.869 3.953 50 0 IHAARN Cc1cc(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)c1 ZINC000040059944 569484817 /nfs/dbraw/zinc/48/48/17/569484817.db2.gz PAKQJJJLYLLNRL-UHFFFAOYSA-N 0 0 445.585 3.645 50 0 IHAARN O=C(NCc1cccc(Br)c1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000008911601 569484935 /nfs/dbraw/zinc/48/49/35/569484935.db2.gz FTVHWMDJIOFCIH-HNNXBMFYSA-N 0 0 446.374 3.624 50 0 IHAARN CCc1ccccc1NC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCC(C)CC2)cc1 ZINC000008912575 569485053 /nfs/dbraw/zinc/48/50/53/569485053.db2.gz XHHHTZUJBCGGTI-UHFFFAOYSA-N 0 0 431.536 3.946 50 0 IHAARN CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000040069668 569485357 /nfs/dbraw/zinc/48/53/57/569485357.db2.gz ANXXIYQBISSYSQ-UHFFFAOYSA-N 0 0 447.461 3.669 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)oc2c1 ZINC000008915214 569485491 /nfs/dbraw/zinc/48/54/91/569485491.db2.gz FOFADAYFMNCARA-INIZCTEOSA-N 0 0 440.521 3.774 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918804 569486335 /nfs/dbraw/zinc/48/63/35/569486335.db2.gz GKNGREVZLQVEFB-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008919019 569486370 /nfs/dbraw/zinc/48/63/70/569486370.db2.gz CIUSDSIIEPFPOQ-SANMLTNESA-N 0 0 447.487 3.720 50 0 IHAARN Cc1cccc(N2CCN(CCNC(=O)c3cnn(-c4ccccc4)c3C3CC3)CC2)c1 ZINC000040087032 569486699 /nfs/dbraw/zinc/48/66/99/569486699.db2.gz VZTRPEFOJDRDGJ-UHFFFAOYSA-N 0 0 429.568 3.610 50 0 IHAARN Cc1ccc(Nc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)cc1 ZINC000008926369 569487227 /nfs/dbraw/zinc/48/72/27/569487227.db2.gz FGPLTIYWFGGDBU-UHFFFAOYSA-N 0 0 444.322 3.841 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)c(OC)c1 ZINC000008927780 569487287 /nfs/dbraw/zinc/48/72/87/569487287.db2.gz YTUXUQKLNFDICM-RUZDIDTESA-N 0 0 435.451 3.850 50 0 IHAARN O=C(NCc1cccnc1OC1CCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000040090845 569487417 /nfs/dbraw/zinc/48/74/17/569487417.db2.gz XCEHKKKZDUNBHR-UHFFFAOYSA-N 0 0 428.554 3.806 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008937093 569488125 /nfs/dbraw/zinc/48/81/25/569488125.db2.gz QYWKBGSLGYCRHW-UHFFFAOYSA-N 0 0 437.525 3.744 50 0 IHAARN Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n[nH]1 ZINC000008937643 569488138 /nfs/dbraw/zinc/48/81/38/569488138.db2.gz UFCLOOVSPBPYQI-UHFFFAOYSA-N 0 0 437.525 3.550 50 0 IHAARN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 ZINC000040107841 569488465 /nfs/dbraw/zinc/48/84/65/569488465.db2.gz GBNHMKCFOIQMPK-MJGOQNOKSA-N 0 0 432.442 3.736 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000040111958 569488889 /nfs/dbraw/zinc/48/88/89/569488889.db2.gz OLLSRPRARXTUPX-JTQLQIEISA-N 0 0 425.842 3.703 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000040112900 569488961 /nfs/dbraw/zinc/48/89/61/569488961.db2.gz FYCFVVJAHLUANJ-JTQLQIEISA-N 0 0 425.842 3.703 50 0 IHAARN CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2N(C)c2ccccc2)c1=O ZINC000040114542 569489139 /nfs/dbraw/zinc/48/91/39/569489139.db2.gz LRQLCPCZFNUBFN-UHFFFAOYSA-N 0 0 428.492 3.590 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1Br ZINC000009119346 569503545 /nfs/dbraw/zinc/50/35/45/569503545.db2.gz GZPYKEZZHPTVQP-UHFFFAOYSA-N 0 0 431.739 3.670 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000040129576 569489816 /nfs/dbraw/zinc/48/98/16/569489816.db2.gz JAUUMRATOALHPZ-HNNXBMFYSA-N 0 0 425.551 3.648 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3sc(C)nc3c2=O)c1 ZINC000008955123 569490110 /nfs/dbraw/zinc/49/01/10/569490110.db2.gz JSJSITKSDSHQHY-UHFFFAOYSA-N 0 0 447.520 3.734 50 0 IHAARN CS(=O)(=O)Nc1ccsc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000040138921 569490754 /nfs/dbraw/zinc/49/07/54/569490754.db2.gz YAOXKGCRKHPJKQ-QGZVFWFLSA-N 0 0 448.497 3.796 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000008965511 569491482 /nfs/dbraw/zinc/49/14/82/569491482.db2.gz NWZKWVZQVHFCJL-QGZVFWFLSA-N 0 0 443.550 3.520 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008965675 569491492 /nfs/dbraw/zinc/49/14/92/569491492.db2.gz PAYJFBLDWIEPNK-NSHDSACASA-N 0 0 429.885 3.713 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccccc1 ZINC000008979890 569493074 /nfs/dbraw/zinc/49/30/74/569493074.db2.gz CLHAGAMDDRGREP-UHFFFAOYSA-N 0 0 425.489 3.889 50 0 IHAARN CN(c1ccccc1)C1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 ZINC000040150173 569493131 /nfs/dbraw/zinc/49/31/31/569493131.db2.gz RFIGYTFMTQIRAS-UHFFFAOYSA-N 0 0 438.549 3.995 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccn(-c2ccccc2F)n1 ZINC000040150158 569493155 /nfs/dbraw/zinc/49/31/55/569493155.db2.gz MTQWICKHBXODAJ-GFCCVEGCSA-N 0 0 436.256 3.997 50 0 IHAARN O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000040152468 569493400 /nfs/dbraw/zinc/49/34/00/569493400.db2.gz CRTVCJSOICDKOC-MRXNPFEDSA-N 0 0 429.473 3.520 50 0 IHAARN COc1ccc(CN2CCCN(C(=O)c3cc4sc(N(C)C)nc4s3)CC2)cc1 ZINC000040155411 569493913 /nfs/dbraw/zinc/49/39/13/569493913.db2.gz KXBRKOITBGSZEB-UHFFFAOYSA-N 0 0 430.599 3.781 50 0 IHAARN C[C@@H]1CN([C@@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 ZINC000040156208 569494129 /nfs/dbraw/zinc/49/41/29/569494129.db2.gz BTDBEUWKXACCRQ-NQERJWCQSA-N 0 0 445.922 3.875 50 0 IHAARN O=C(Nc1ccccc1Cn1cncn1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000040156982 569494245 /nfs/dbraw/zinc/49/42/45/569494245.db2.gz LUXWKZNCXBWCOU-UHFFFAOYSA-N 0 0 429.480 3.507 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000040158118 569494435 /nfs/dbraw/zinc/49/44/35/569494435.db2.gz OLBIODJTQJRZNR-MRXNPFEDSA-N 0 0 426.611 3.621 50 0 IHAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000008985749 569494846 /nfs/dbraw/zinc/49/48/46/569494846.db2.gz LQSXHEFCUGRWSA-SFHVURJKSA-N 0 0 437.677 3.798 50 0 IHAARN COC(=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000040160265 569495077 /nfs/dbraw/zinc/49/50/77/569495077.db2.gz OFWCHSGLSBXRHW-JWDGYQHVSA-N 0 0 441.524 3.595 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccc(F)cc2)OCC3)c(=O)n(C)c1=O ZINC000008995427 569495604 /nfs/dbraw/zinc/49/56/04/569495604.db2.gz XAKGNFOZKBKXTP-OAQYLSRUSA-N 0 0 439.874 3.618 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(F)c2)c3=O)cc1 ZINC000009016639 569496854 /nfs/dbraw/zinc/49/68/54/569496854.db2.gz IGHJDMTXOWBDEI-UHFFFAOYSA-N 0 0 447.514 3.508 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Br)cc3)n2)cc1 ZINC000009031580 569497076 /nfs/dbraw/zinc/49/70/76/569497076.db2.gz IEOGKMGQOYOPDX-GFCCVEGCSA-N 0 0 432.274 3.591 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(OC(F)F)c1)CC(=O)N2 ZINC000040266861 569497290 /nfs/dbraw/zinc/49/72/90/569497290.db2.gz YCDVBHYHBZJPNX-AWEZNQCLSA-N 0 0 425.399 3.652 50 0 IHAARN O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000245131295 569497608 /nfs/dbraw/zinc/49/76/08/569497608.db2.gz VNUQZBOJMCIYCP-KRWDZBQOSA-N 0 0 437.487 3.947 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC(C)C ZINC000040283933 569497895 /nfs/dbraw/zinc/49/78/95/569497895.db2.gz VLPRUMGZGNFNLH-INIZCTEOSA-N 0 0 447.499 3.846 50 0 IHAARN O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040287550 569498212 /nfs/dbraw/zinc/49/82/12/569498212.db2.gz XLZGKAOWXGHVPY-UHFFFAOYSA-N 0 0 429.325 3.513 50 0 IHAARN COc1cccc(C2=NO[C@@]3(CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2)c1OC ZINC000040287262 569498223 /nfs/dbraw/zinc/49/82/23/569498223.db2.gz JLHCUPHDAHLBAQ-HXUWFJFHSA-N 0 0 434.370 3.549 50 0 IHAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OC(C)C ZINC000040288474 569498412 /nfs/dbraw/zinc/49/84/12/569498412.db2.gz IELSSDAKPNWOMY-HNNXBMFYSA-N 0 0 433.472 3.538 50 0 IHAARN COc1ccc(CNC(=O)c2cn(C3CC3)c3c(cc(F)c(F)c3OC)c2=O)cc1OC ZINC000009048250 569498492 /nfs/dbraw/zinc/49/84/92/569498492.db2.gz PJSWYNDTPGJYQZ-UHFFFAOYSA-N 0 0 444.434 3.570 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000009051158 569498651 /nfs/dbraw/zinc/49/86/51/569498651.db2.gz KPLKJZDKEAERDX-AWEZNQCLSA-N 0 0 433.493 3.843 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)n2)cc1 ZINC000009056577 569499088 /nfs/dbraw/zinc/49/90/88/569499088.db2.gz IUZOLDYVCFPWKG-RCDICMHDSA-N 0 0 426.542 3.812 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009058108 569499216 /nfs/dbraw/zinc/49/92/16/569499216.db2.gz JYAHSKCOEMQKKP-UHFFFAOYSA-N 0 0 428.492 3.899 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)cc1 ZINC000009059526 569499350 /nfs/dbraw/zinc/49/93/50/569499350.db2.gz SDNUXPMWFXZCSV-UHFFFAOYSA-N 0 0 430.512 3.840 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)ccc21 ZINC000009061116 569499580 /nfs/dbraw/zinc/49/95/80/569499580.db2.gz KBYCSWGMSLHKNN-UHFFFAOYSA-N 0 0 428.901 3.914 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245228484 569499743 /nfs/dbraw/zinc/49/97/43/569499743.db2.gz ACRSAJGJBWWJCO-NXMSCROESA-N 0 0 427.545 3.694 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccc(F)c(F)c1 ZINC000040355619 569499807 /nfs/dbraw/zinc/49/98/07/569499807.db2.gz MFBMCWJVKIPLCZ-UHFFFAOYSA-N 0 0 446.454 3.775 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cc1 ZINC000009094836 569501223 /nfs/dbraw/zinc/50/12/23/569501223.db2.gz LBZCPWBIWWSOMQ-QHCPKHFHSA-N 0 0 426.582 3.891 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000009094982 569501301 /nfs/dbraw/zinc/50/13/01/569501301.db2.gz CLLSRKUBTHSXPB-UHFFFAOYSA-N 0 0 434.583 3.847 50 0 IHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000009097180 569501497 /nfs/dbraw/zinc/50/14/97/569501497.db2.gz IDHICFIQNVLSLS-OAHLLOKOSA-N 0 0 432.505 3.955 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000245258104 569501672 /nfs/dbraw/zinc/50/16/72/569501672.db2.gz JNMFLVDQBJNKSV-HCELYDKLSA-N 0 0 434.558 3.611 50 0 IHAARN COc1cc(OC)cc(C(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 ZINC000009101311 569501722 /nfs/dbraw/zinc/50/17/22/569501722.db2.gz HXHNYOXQKSEZSF-HNNXBMFYSA-N 0 0 425.268 3.766 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1C ZINC000009106823 569501836 /nfs/dbraw/zinc/50/18/36/569501836.db2.gz HSDMJEFZYQPCGL-LJQANCHMSA-N 0 0 435.592 3.858 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCc4ccccc4)[C@H]3C2)c1 ZINC000245279133 569502069 /nfs/dbraw/zinc/50/20/69/569502069.db2.gz DUNYZZHGZWDJBS-AOYPEHQESA-N 0 0 427.548 3.879 50 0 IHAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C ZINC000009110136 569502142 /nfs/dbraw/zinc/50/21/42/569502142.db2.gz MBMDVMNSLLTSKD-UHFFFAOYSA-N 0 0 433.899 3.613 50 0 IHAARN CCCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3c(C)cc(C)cc3C)cc21 ZINC000040411050 569502174 /nfs/dbraw/zinc/50/21/74/569502174.db2.gz IJIKMGREFTVVSY-UHFFFAOYSA-N 0 0 438.524 3.515 50 0 IHAARN COc1cc(OC)c(NC(=O)CCCn2c(=O)c3cccn3c3cccnc32)cc1Cl ZINC000009115003 569502711 /nfs/dbraw/zinc/50/27/11/569502711.db2.gz RJWLQJCGTKRZBO-UHFFFAOYSA-N 0 0 440.887 3.739 50 0 IHAARN COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCc3cc(OC)ccc3OC)o2)cc1 ZINC000009115746 569502791 /nfs/dbraw/zinc/50/27/91/569502791.db2.gz DXUPSNGQFHCRGT-WJOKGBTCSA-N 0 0 443.521 3.586 50 0 IHAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(OC)c3OC)o2)cc1 ZINC000009115751 569502810 /nfs/dbraw/zinc/50/28/10/569502810.db2.gz DCIFWBIXZBUTAR-PMERELPUSA-N 0 0 429.494 3.543 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C[C@@H](C)O1 ZINC000009118462 569503405 /nfs/dbraw/zinc/50/34/05/569503405.db2.gz PFJHRVCVOUWXSW-RTBURBONSA-N 0 0 443.613 3.772 50 0 IHAARN CSc1ccccc1NC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000009119679 569503588 /nfs/dbraw/zinc/50/35/88/569503588.db2.gz QMSQJGZOXZHBNH-UHFFFAOYSA-N 0 0 430.570 3.613 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000009126157 569504795 /nfs/dbraw/zinc/50/47/95/569504795.db2.gz XIQOEDUBQNECGD-FQEVSTJZSA-N 0 0 438.553 3.949 50 0 IHAARN CCn1c(CSc2ncnc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009126182 569504899 /nfs/dbraw/zinc/50/48/99/569504899.db2.gz GGCIEHKQHLWBQH-UHFFFAOYSA-N 0 0 427.555 3.542 50 0 IHAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000009129634 569505799 /nfs/dbraw/zinc/50/57/99/569505799.db2.gz ZFDBJPAXFNFVRX-NRFANRHFSA-N 0 0 431.540 3.626 50 0 IHAARN Cc1c(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cnn1C(F)F ZINC000040454469 569506480 /nfs/dbraw/zinc/50/64/80/569506480.db2.gz QPLHPUGTDAHVRK-QGZVFWFLSA-N 0 0 445.495 3.584 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000040478482 569506782 /nfs/dbraw/zinc/50/67/82/569506782.db2.gz XDGNDPJAMYZATD-UHFFFAOYSA-N 0 0 427.504 3.775 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000009134460 569507054 /nfs/dbraw/zinc/50/70/54/569507054.db2.gz PTLSESFKQIJZQU-KRWDZBQOSA-N 0 0 445.972 3.581 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C ZINC000009152785 569507892 /nfs/dbraw/zinc/50/78/92/569507892.db2.gz PWESCRBBDILOTN-HIFRSBDPSA-N 0 0 432.567 3.927 50 0 IHAARN CC(C)c1ccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)cc1 ZINC000009153163 569508005 /nfs/dbraw/zinc/50/80/05/569508005.db2.gz OUPROQMAPZQBRP-UHFFFAOYSA-N 0 0 449.532 3.845 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CNc1cccc(C)c1C(=O)OC ZINC000009155697 569508293 /nfs/dbraw/zinc/50/82/93/569508293.db2.gz OXALLVIXTHLVFY-UHFFFAOYSA-N 0 0 432.498 3.581 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N[C@H](C)c1ccccc1 ZINC000009157511 569508404 /nfs/dbraw/zinc/50/84/04/569508404.db2.gz JHIDRSJWWWMJDF-GOSISDBHSA-N 0 0 445.585 3.549 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)c1 ZINC000009157149 569508430 /nfs/dbraw/zinc/50/84/30/569508430.db2.gz YETTXWZAQPGPFT-UHFFFAOYSA-N 0 0 449.532 3.940 50 0 IHAARN CCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166517 569508943 /nfs/dbraw/zinc/50/89/43/569508943.db2.gz UTYZWWISIXKBHY-UHFFFAOYSA-N 0 0 438.933 3.921 50 0 IHAARN CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170249 569509273 /nfs/dbraw/zinc/50/92/73/569509273.db2.gz JQLQQPHSRFCNEI-UHFFFAOYSA-N 0 0 432.542 3.904 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000009186954 569510258 /nfs/dbraw/zinc/51/02/58/569510258.db2.gz TWJVZDYUVBHSQE-UHFFFAOYSA-N 0 0 438.505 3.829 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(N3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)cc2)cc1 ZINC000009187535 569510394 /nfs/dbraw/zinc/51/03/94/569510394.db2.gz ZEKPBLLNRSGYSC-QHCPKHFHSA-N 0 0 441.487 3.519 50 0 IHAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC1 ZINC000009191001 569510560 /nfs/dbraw/zinc/51/05/60/569510560.db2.gz RLOJVLPSAMMUNP-UHFFFAOYSA-N 0 0 432.851 3.833 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1OC ZINC000009199593 569511080 /nfs/dbraw/zinc/51/10/80/569511080.db2.gz RRPZBNQNONFUGH-OAHLLOKOSA-N 0 0 438.509 3.637 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009205653 569511345 /nfs/dbraw/zinc/51/13/45/569511345.db2.gz UBKLEJDFBPEIDQ-KRWDZBQOSA-N 0 0 440.500 3.633 50 0 IHAARN CC(C)(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 ZINC000009219410 569512469 /nfs/dbraw/zinc/51/24/69/569512469.db2.gz QNJVWHXRRIHCIQ-ZDUSSCGKSA-N 0 0 436.599 3.950 50 0 IHAARN CN(C)C(=O)[C@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 ZINC000009219728 569512490 /nfs/dbraw/zinc/51/24/90/569512490.db2.gz NYMYNHHBMIJIHP-GOSISDBHSA-N 0 0 428.286 3.826 50 0 IHAARN CCCSc1nsc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009222531 569512746 /nfs/dbraw/zinc/51/27/46/569512746.db2.gz JHDLCDYBLUPLFF-HNNXBMFYSA-N 0 0 440.616 3.531 50 0 IHAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009222875 569512841 /nfs/dbraw/zinc/51/28/41/569512841.db2.gz WEBYSRLDRHJCFZ-WBMJQRKESA-N 0 0 438.899 3.683 50 0 IHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000009223312 569512917 /nfs/dbraw/zinc/51/29/17/569512917.db2.gz HDOVJVBVHNUQJX-UHFFFAOYSA-N 0 0 448.450 3.521 50 0 IHAARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009224113 569513155 /nfs/dbraw/zinc/51/31/55/569513155.db2.gz CIHJJVAAFSJWCW-UHFFFAOYSA-N 0 0 444.314 3.740 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009226350 569513321 /nfs/dbraw/zinc/51/33/21/569513321.db2.gz BRMYDBOYOGWNND-HUUCEWRRSA-N 0 0 432.567 3.785 50 0 IHAARN CCOc1ccccc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000009227489 569513415 /nfs/dbraw/zinc/51/34/15/569513415.db2.gz RUPQTIVRSHFDES-UHFFFAOYSA-N 0 0 438.549 3.757 50 0 IHAARN CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc(Cl)cc4)nn32)s1 ZINC000009240476 569514593 /nfs/dbraw/zinc/51/45/93/569514593.db2.gz RWTQLGRQJPYZPZ-UHFFFAOYSA-N 0 0 431.934 3.589 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 ZINC000009238482 569514287 /nfs/dbraw/zinc/51/42/87/569514287.db2.gz UZEGDIKKXKRMQF-WOJBJXKFSA-N 0 0 435.553 3.725 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239225 569514531 /nfs/dbraw/zinc/51/45/31/569514531.db2.gz LKDRSZWOVUMVKH-RTBURBONSA-N 0 0 427.505 3.776 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn21 ZINC000009241423 569514702 /nfs/dbraw/zinc/51/47/02/569514702.db2.gz GZSAABRTQBPKCU-UHFFFAOYSA-N 0 0 426.889 3.579 50 0 IHAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1 ZINC000009249828 569515516 /nfs/dbraw/zinc/51/55/16/569515516.db2.gz LPYDGQJBUANJLA-GOSISDBHSA-N 0 0 449.532 3.642 50 0 IHAARN Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000009249923 569515597 /nfs/dbraw/zinc/51/55/97/569515597.db2.gz DMEWFJAEPBZWRU-OAHLLOKOSA-N 0 0 431.439 3.964 50 0 IHAARN Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000009249938 569515601 /nfs/dbraw/zinc/51/56/01/569515601.db2.gz ZGDIABZZGXNHDB-AWEZNQCLSA-N 0 0 431.439 3.964 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C4CCCCC4)o3)ccc21 ZINC000009254350 569516349 /nfs/dbraw/zinc/51/63/49/569516349.db2.gz KRLYQAXPLQWYKC-UHFFFAOYSA-N 0 0 435.571 3.805 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 ZINC000009255337 569516520 /nfs/dbraw/zinc/51/65/20/569516520.db2.gz HTCIESNKNOWRAU-FXAWDEMLSA-N 0 0 439.541 3.641 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009256456 569516792 /nfs/dbraw/zinc/51/67/92/569516792.db2.gz UIKOLOTVRQHCCZ-INIZCTEOSA-N 0 0 449.985 3.982 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)NCc3ccccc3Cl)c2n1 ZINC000009267852 569517516 /nfs/dbraw/zinc/51/75/16/569517516.db2.gz KLTCUSNIBRYFSZ-UHFFFAOYSA-N 0 0 445.906 3.906 50 0 IHAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)ccc2N1C(=O)C1CC1 ZINC000009273823 569518132 /nfs/dbraw/zinc/51/81/32/569518132.db2.gz FPXWHNRWDIHLDH-AWEZNQCLSA-N 0 0 446.956 3.830 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc(Cl)cc1 ZINC000009276331 569518420 /nfs/dbraw/zinc/51/84/20/569518420.db2.gz HDTYYLIWSDNSRP-UHFFFAOYSA-N 0 0 445.972 3.786 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1cccc(F)c1 ZINC000009276525 569518463 /nfs/dbraw/zinc/51/84/63/569518463.db2.gz IWEDBIFNTJKPJW-UHFFFAOYSA-N 0 0 443.544 3.662 50 0 IHAARN CCOc1ccc(Oc2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3OC)cc2)cc1 ZINC000009283077 569518817 /nfs/dbraw/zinc/51/88/17/569518817.db2.gz FHETXJHNUMBIPB-UHFFFAOYSA-N 0 0 442.493 3.786 50 0 IHAARN C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009283373 569518827 /nfs/dbraw/zinc/51/88/27/569518827.db2.gz ZBQONXJWAYYBHC-CQSZACIVSA-N 0 0 426.494 3.961 50 0 IHAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)on2)cc1 ZINC000009284648 569519143 /nfs/dbraw/zinc/51/91/43/569519143.db2.gz NYVBKFFJFUPEOJ-UHFFFAOYSA-N 0 0 436.493 3.812 50 0 IHAARN COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2OC)cc1 ZINC000009288925 569519510 /nfs/dbraw/zinc/51/95/10/569519510.db2.gz WRZWLZCYZLJARS-UHFFFAOYSA-N 0 0 429.480 3.852 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 ZINC000009289918 569519625 /nfs/dbraw/zinc/51/96/25/569519625.db2.gz RCMDRASZXMPHBJ-ZDUSSCGKSA-N 0 0 426.498 3.822 50 0 IHAARN CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C(C)C)n2C)s1 ZINC000009289960 569519619 /nfs/dbraw/zinc/51/96/19/569519619.db2.gz VGYQIVLAGNCJBD-UHFFFAOYSA-N 0 0 432.575 3.662 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 ZINC000009289919 569519639 /nfs/dbraw/zinc/51/96/39/569519639.db2.gz RCMDRASZXMPHBJ-CYBMUJFWSA-N 0 0 426.498 3.822 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCC1CCCCC1)c1ccc2c(c1)OCO2 ZINC000009300964 569520680 /nfs/dbraw/zinc/52/06/80/569520680.db2.gz KNBNRZQYBAZRSI-HNNXBMFYSA-N 0 0 427.526 3.850 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009301591 569520715 /nfs/dbraw/zinc/52/07/15/569520715.db2.gz ZXYBMTOLBHQRPF-HNNXBMFYSA-N 0 0 437.477 3.801 50 0 IHAARN CCOc1ccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)cc1 ZINC000009307542 569521401 /nfs/dbraw/zinc/52/14/01/569521401.db2.gz QLVMQPHPSDFYJU-UHFFFAOYSA-N 0 0 428.444 3.855 50 0 IHAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009309808 569521639 /nfs/dbraw/zinc/52/16/39/569521639.db2.gz XVQRXKPXDKBDBP-GOTSBHOMSA-N 0 0 437.459 3.672 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009319508 569522466 /nfs/dbraw/zinc/52/24/66/569522466.db2.gz PVEAQXKARYMYHJ-NRFANRHFSA-N 0 0 429.476 3.825 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009319504 569522467 /nfs/dbraw/zinc/52/24/67/569522467.db2.gz PVEAQXKARYMYHJ-OAQYLSRUSA-N 0 0 429.476 3.825 50 0 IHAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1 ZINC000009319691 569522527 /nfs/dbraw/zinc/52/25/27/569522527.db2.gz VCNIGJPBXYKWDK-UHFFFAOYSA-N 0 0 444.535 3.967 50 0 IHAARN Nc1nc(COc2ccccc2C(=O)NCc2ccccc2)nc(Nc2ccccc2)n1 ZINC000009336570 569523404 /nfs/dbraw/zinc/52/34/04/569523404.db2.gz RMJZTGPBWCAMJV-UHFFFAOYSA-N 0 0 426.480 3.706 50 0 IHAARN CN(Cc1ccsc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009337780 569523591 /nfs/dbraw/zinc/52/35/91/569523591.db2.gz RKWRWUSNDXCTEO-UHFFFAOYSA-N 0 0 430.507 3.550 50 0 IHAARN CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)c1 ZINC000009340207 569523830 /nfs/dbraw/zinc/52/38/30/569523830.db2.gz ILTHAYAOPGQLNX-UHFFFAOYSA-N 0 0 435.502 3.692 50 0 IHAARN COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000009341304 569523916 /nfs/dbraw/zinc/52/39/16/569523916.db2.gz GTKRYCSMJFASSH-OAHLLOKOSA-N 0 0 425.384 3.796 50 0 IHAARN O=C(c1ccccc1Cl)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009345339 569524134 /nfs/dbraw/zinc/52/41/34/569524134.db2.gz JOXZNDODVOEITG-HNNXBMFYSA-N 0 0 442.762 3.932 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)C(=O)[C@H]2C)cc1 ZINC000009349523 569524766 /nfs/dbraw/zinc/52/47/66/569524766.db2.gz VIKGNFMVZQJDLN-APWZRJJASA-N 0 0 446.463 3.716 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c1 ZINC000009365310 569526102 /nfs/dbraw/zinc/52/61/02/569526102.db2.gz YWIHVTQZTWAXLO-UHFFFAOYSA-N 0 0 428.539 3.903 50 0 IHAARN COc1cccc2sc(NC(=O)[C@H](CCSC)NC(=O)COc3ccccc3)nc21 ZINC000009366305 569526214 /nfs/dbraw/zinc/52/62/14/569526214.db2.gz YNPHWRLBOUBBRE-HNNXBMFYSA-N 0 0 445.566 3.560 50 0 IHAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)s1 ZINC000009367044 569526361 /nfs/dbraw/zinc/52/63/61/569526361.db2.gz MNUOPNIYDKVAFC-UHFFFAOYSA-N 0 0 448.599 3.979 50 0 IHAARN C[C@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1cccnc1 ZINC000009368216 569526630 /nfs/dbraw/zinc/52/66/30/569526630.db2.gz HVYVIRZGJJWXCB-IBGZPJMESA-N 0 0 426.520 3.844 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000009373152 569526971 /nfs/dbraw/zinc/52/69/71/569526971.db2.gz CHICKAMFQKEIJB-SANMLTNESA-N 0 0 433.552 3.715 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)CN2CCCCCC2=O)c2c[nH]c3ccccc32)cc1 ZINC000009378720 569527657 /nfs/dbraw/zinc/52/76/57/569527657.db2.gz DUBVEVDVQKQJIF-QFIPXVFZSA-N 0 0 432.568 3.885 50 0 IHAARN COc1cccc(Nc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)s2)c1 ZINC000009378826 569527730 /nfs/dbraw/zinc/52/77/30/569527730.db2.gz FYFZJTHLQBOGPX-UHFFFAOYSA-N 0 0 443.554 3.829 50 0 IHAARN COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 ZINC000009382238 569528212 /nfs/dbraw/zinc/52/82/12/569528212.db2.gz UWTZXGKBAWLFAY-LJQANCHMSA-N 0 0 439.493 3.651 50 0 IHAARN CCOc1ccc(-c2nc(COC(=O)CNC(=O)c3cccc(F)c3)cs2)cc1OC ZINC000009386919 569528431 /nfs/dbraw/zinc/52/84/31/569528431.db2.gz XJQOWGNOHQUNIZ-UHFFFAOYSA-N 0 0 444.484 3.830 50 0 IHAARN CC(=O)c1ccc(C(=O)Nc2sc(Cc3ccc4c(c3)OCO4)c(C)c2C(N)=O)cc1 ZINC000009390695 569528782 /nfs/dbraw/zinc/52/87/82/569528782.db2.gz OXZSLFFZPQMLAN-UHFFFAOYSA-N 0 0 436.489 3.930 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc42)CS(=O)(=O)C3)cc1 ZINC000009391550 569528930 /nfs/dbraw/zinc/52/89/30/569528930.db2.gz LERDBZRTZJOQMP-UHFFFAOYSA-N 0 0 447.516 3.644 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)CS(=O)(=O)C3)cc1 ZINC000009391548 569528949 /nfs/dbraw/zinc/52/89/49/569528949.db2.gz BEHLEGVVWDDNEL-UHFFFAOYSA-N 0 0 433.489 3.715 50 0 IHAARN CCCn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2cc(Cl)ccc2c1=O ZINC000009398885 569529313 /nfs/dbraw/zinc/52/93/13/569529313.db2.gz TYGSGASXQCOQKK-UHFFFAOYSA-N 0 0 428.901 3.605 50 0 IHAARN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000009405087 569529805 /nfs/dbraw/zinc/52/98/05/569529805.db2.gz JOQRCKQKGYXVIH-UHFFFAOYSA-N 0 0 436.946 3.967 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)cc1 ZINC000009405178 569529811 /nfs/dbraw/zinc/52/98/11/569529811.db2.gz GZBUUIFWSMWHIA-UHFFFAOYSA-N 0 0 445.548 3.722 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c(C)c1 ZINC000009405357 569529887 /nfs/dbraw/zinc/52/98/87/569529887.db2.gz SMIAGVWCPJGVBG-UHFFFAOYSA-N 0 0 437.550 3.644 50 0 IHAARN CCOCCCN(Cc1ccco1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000009405738 569530000 /nfs/dbraw/zinc/53/00/00/569530000.db2.gz CQVQBUOBVDSOML-UHFFFAOYSA-N 0 0 429.542 3.765 50 0 IHAARN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000009406853 569530194 /nfs/dbraw/zinc/53/01/94/569530194.db2.gz RTVLMQZIVDAYNC-KRWDZBQOSA-N 0 0 448.548 3.728 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCC(C)CC2)CC1 ZINC000009407278 569530214 /nfs/dbraw/zinc/53/02/14/569530214.db2.gz KSVZMWIIPGLCDB-UHFFFAOYSA-N 0 0 441.547 3.823 50 0 IHAARN COc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)c(OC)c1 ZINC000009407527 569530219 /nfs/dbraw/zinc/53/02/19/569530219.db2.gz GXWRUUOSTZZYTM-UHFFFAOYSA-N 0 0 429.519 3.996 50 0 IHAARN COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1OC ZINC000009407516 569530235 /nfs/dbraw/zinc/53/02/35/569530235.db2.gz MZJPCKPDUSFUNB-UHFFFAOYSA-N 0 0 443.546 3.692 50 0 IHAARN CSc1cccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)c1 ZINC000009407327 569530247 /nfs/dbraw/zinc/53/02/47/569530247.db2.gz JPVZSKREWZSZQU-UHFFFAOYSA-N 0 0 441.597 3.852 50 0 IHAARN COc1ccc(N(Cc2ccc(F)cc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408236 569530497 /nfs/dbraw/zinc/53/04/97/569530497.db2.gz WYUZNPMRXVWRBY-QZTJIDSGSA-N 0 0 440.949 3.763 50 0 IHAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1OC ZINC000009409059 569530778 /nfs/dbraw/zinc/53/07/78/569530778.db2.gz LTGSKJNLOQXNNW-HSZRJFAPSA-N 0 0 437.496 3.771 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)c1 ZINC000009413121 569531637 /nfs/dbraw/zinc/53/16/37/569531637.db2.gz MZCZGSYAAWWUQB-UHFFFAOYSA-N 0 0 439.566 3.587 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@@](=O)C3)c1C ZINC000009413469 569531768 /nfs/dbraw/zinc/53/17/68/569531768.db2.gz UKWRKAIMWNGLEA-LJAQVGFWSA-N 0 0 429.929 3.922 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@](=O)C3)c1C ZINC000009413467 569531788 /nfs/dbraw/zinc/53/17/88/569531788.db2.gz UKWRKAIMWNGLEA-GDLZYMKVSA-N 0 0 429.929 3.922 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@](=O)C2 ZINC000009413815 569531870 /nfs/dbraw/zinc/53/18/70/569531870.db2.gz LJCNFMGDJHCHSK-PMERELPUSA-N 0 0 425.510 3.521 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)c1 ZINC000009415104 569532131 /nfs/dbraw/zinc/53/21/31/569532131.db2.gz MEXJIHHTFDWOMH-UHFFFAOYSA-N 0 0 432.509 3.789 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(C(=O)NCc3cccnc3)c1)CC2 ZINC000009420810 569532705 /nfs/dbraw/zinc/53/27/05/569532705.db2.gz QKMWKKVZOJSTJS-UHFFFAOYSA-N 0 0 446.507 3.619 50 0 biogenic IHAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccncc4)ccc3c2=O)cc1 ZINC000009423390 569532955 /nfs/dbraw/zinc/53/29/55/569532955.db2.gz UMWSKMOXWVECPO-UHFFFAOYSA-N 0 0 446.459 3.993 50 0 IHAARN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000009429707 569533709 /nfs/dbraw/zinc/53/37/09/569533709.db2.gz KUHMLAYNEVPKQW-MFOYZWKCSA-N 0 0 429.885 3.810 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC[C@H](C)c3ccccc3)cc2NC1=O ZINC000009430172 569533896 /nfs/dbraw/zinc/53/38/96/569533896.db2.gz QDGPOCQYJUJRJK-HNAYVOBHSA-N 0 0 446.594 3.593 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3OC)cc2NC1=O ZINC000009430238 569533966 /nfs/dbraw/zinc/53/39/66/569533966.db2.gz SQUKWUHPXCJJPN-GOSISDBHSA-N 0 0 448.566 3.629 50 0 IHAARN CC[C@@H](C)n1c2nnc(CCCC(=O)N3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000009431426 569534180 /nfs/dbraw/zinc/53/41/80/569534180.db2.gz SHLOTPFGQOLOLT-MRXNPFEDSA-N 0 0 449.580 3.984 50 0 IHAARN CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000009440832 569535246 /nfs/dbraw/zinc/53/52/46/569535246.db2.gz PQTQTSSSYZRJQC-GFCCVEGCSA-N 0 0 436.580 3.644 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC(F)F)c1 ZINC000009441132 569535312 /nfs/dbraw/zinc/53/53/12/569535312.db2.gz JQEZLSJWYZSBND-GOSISDBHSA-N 0 0 449.479 3.737 50 0 IHAARN CCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC ZINC000009444054 569535747 /nfs/dbraw/zinc/53/57/47/569535747.db2.gz LEVNCMDMGSBDJC-MRXNPFEDSA-N 0 0 448.566 3.739 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009449351 569536175 /nfs/dbraw/zinc/53/61/75/569536175.db2.gz GMSRFIYDPNNRGV-QGZVFWFLSA-N 0 0 440.569 3.995 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 ZINC000009449647 569536224 /nfs/dbraw/zinc/53/62/24/569536224.db2.gz MMHWBXLBUASUDR-BBOHXYNISA-N 0 0 443.613 3.626 50 0 IHAARN COc1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000009459313 569536805 /nfs/dbraw/zinc/53/68/05/569536805.db2.gz VNGSUZZIXHIUPE-LNENJAERSA-N 0 0 449.956 3.586 50 0 IHAARN CC(C)c1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009460259 569536869 /nfs/dbraw/zinc/53/68/69/569536869.db2.gz BJAGAHCAFBGHKO-UHFFFAOYSA-N 0 0 442.581 3.953 50 0 IHAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009461595 569537104 /nfs/dbraw/zinc/53/71/04/569537104.db2.gz QVAIWXFDCBGFOS-OAQYLSRUSA-N 0 0 437.521 3.861 50 0 IHAARN CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 ZINC000009463648 569537498 /nfs/dbraw/zinc/53/74/98/569537498.db2.gz SWAYFAXXIIVYBH-MRXNPFEDSA-N 0 0 440.525 3.785 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc(Cl)c3)n2N)cc1 ZINC000009465878 569538072 /nfs/dbraw/zinc/53/80/72/569538072.db2.gz SRUGQWAOIOVGJS-ZDUSSCGKSA-N 0 0 431.949 3.681 50 0 IHAARN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4cccc(F)c4)n3N)sc2c1 ZINC000009466057 569538118 /nfs/dbraw/zinc/53/81/18/569538118.db2.gz NPTOQPZLQFLNBS-UHFFFAOYSA-N 0 0 444.517 3.537 50 0 IHAARN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)o1 ZINC000009471068 569538904 /nfs/dbraw/zinc/53/89/04/569538904.db2.gz VCTQEQSVULAIFO-UHFFFAOYSA-N 0 0 445.585 3.635 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009478097 569539290 /nfs/dbraw/zinc/53/92/90/569539290.db2.gz BLSAZLTVTKKDTJ-RDTXWAMCSA-N 0 0 447.557 3.808 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000009478095 569539301 /nfs/dbraw/zinc/53/93/01/569539301.db2.gz BLSAZLTVTKKDTJ-KDOFPFPSSA-N 0 0 447.557 3.808 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009478432 569539383 /nfs/dbraw/zinc/53/93/83/569539383.db2.gz QOCBXDQDYBSXRK-NPMABZOXSA-N 0 0 441.915 3.632 50 0 IHAARN Cc1cccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000009487649 569539785 /nfs/dbraw/zinc/53/97/85/569539785.db2.gz CCLDIIVDDBKYBP-SANMLTNESA-N 0 0 429.472 3.774 50 0 IHAARN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000009489331 569539979 /nfs/dbraw/zinc/53/99/79/569539979.db2.gz DQFOKHYKMPCRIO-UHFFFAOYSA-N 0 0 426.582 3.874 50 0 IHAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000009491508 569540386 /nfs/dbraw/zinc/54/03/86/569540386.db2.gz VCBFOZWRXZLOFG-GOSISDBHSA-N 0 0 436.693 3.508 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc3cc(OC)ccc23)c1 ZINC000009492846 569540642 /nfs/dbraw/zinc/54/06/42/569540642.db2.gz JMPQXMVUOPFCKU-UHFFFAOYSA-N 0 0 446.525 3.662 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(=O)CC1)C(c1ccccc1)c1ccccc1 ZINC000009493555 569540774 /nfs/dbraw/zinc/54/07/74/569540774.db2.gz ZCBCDKSYFABXOM-RUZDIDTESA-N 0 0 440.543 3.738 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000009493917 569540810 /nfs/dbraw/zinc/54/08/10/569540810.db2.gz GMVSQRFOPNOAHN-UHFFFAOYSA-N 0 0 432.567 3.980 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009500260 569541514 /nfs/dbraw/zinc/54/15/14/569541514.db2.gz GSCMLQMCXHBBEI-UHFFFAOYSA-N 0 0 449.532 3.666 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000009506718 569541823 /nfs/dbraw/zinc/54/18/23/569541823.db2.gz PJOVQCYHIFDPIQ-UHFFFAOYSA-N 0 0 448.488 3.695 50 0 IHAARN O=C(CSc1nnc(NC2CC2)s1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000009504064 569541827 /nfs/dbraw/zinc/54/18/27/569541827.db2.gz PZBBVMGRKCEXNZ-UHFFFAOYSA-N 0 0 439.566 3.773 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 ZINC000009507193 569541954 /nfs/dbraw/zinc/54/19/54/569541954.db2.gz PIIWYLYIYHSVHL-UHFFFAOYSA-N 0 0 441.481 3.881 50 0 IHAARN COc1cc(C(=O)Nc2nc(C)cs2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000009508773 569542402 /nfs/dbraw/zinc/54/24/02/569542402.db2.gz HTVBMCMBESTSQZ-UHFFFAOYSA-N 0 0 437.477 3.517 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2sc3c(c21)CCCCC3 ZINC000009509301 569542538 /nfs/dbraw/zinc/54/25/38/569542538.db2.gz CFKXWZVXDDLXGJ-UHFFFAOYSA-N 0 0 442.516 3.575 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc12 ZINC000009509790 569542649 /nfs/dbraw/zinc/54/26/49/569542649.db2.gz XNHMGOHBTCTMQX-UHFFFAOYSA-N 0 0 440.550 3.898 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3cccs3)n2)cc1 ZINC000009512643 569543006 /nfs/dbraw/zinc/54/30/06/569543006.db2.gz NUWWFNJNFUWUFA-FQEVSTJZSA-N 0 0 444.520 3.788 50 0 IHAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC ZINC000009517637 569543724 /nfs/dbraw/zinc/54/37/24/569543724.db2.gz BFYXHKWTKQCUQL-UHFFFAOYSA-N 0 0 439.472 3.703 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C ZINC000009517982 569543876 /nfs/dbraw/zinc/54/38/76/569543876.db2.gz OTCRHLHITVVLJN-MRXNPFEDSA-N 0 0 439.566 3.834 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1cccc(Cl)c1 ZINC000009518633 569544169 /nfs/dbraw/zinc/54/41/69/569544169.db2.gz UUKUNPPMSNIWJN-UHFFFAOYSA-N 0 0 438.843 3.662 50 0 IHAARN CSc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000009528610 569544749 /nfs/dbraw/zinc/54/47/49/569544749.db2.gz NGGSUGJWRFFBCY-UHFFFAOYSA-N 0 0 443.594 3.607 50 0 IHAARN COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)c1OC ZINC000009531267 569545180 /nfs/dbraw/zinc/54/51/80/569545180.db2.gz OQUIDDGHCQZMSD-REWPJTCUSA-N 0 0 439.533 3.553 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@H]4CCCC[C@@H]4C)c(=O)c23)s1 ZINC000009536799 569545620 /nfs/dbraw/zinc/54/56/20/569545620.db2.gz LEHJJOZADQFPTE-WFASDCNBSA-N 0 0 444.582 3.899 50 0 IHAARN COc1ccc(OC)c(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3)C2=O)c1 ZINC000009546783 569546308 /nfs/dbraw/zinc/54/63/08/569546308.db2.gz JBWZPYVHSWVTTQ-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000009549737 569546604 /nfs/dbraw/zinc/54/66/04/569546604.db2.gz UMPQJHRRFUPIFO-UHFFFAOYSA-N 0 0 437.525 3.646 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccccc3CSC3=NCCS3)cc(=O)n12 ZINC000009556616 569546847 /nfs/dbraw/zinc/54/68/47/569546847.db2.gz PPVMQKMKWYSAMI-UHFFFAOYSA-N 0 0 431.564 3.757 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560431 569547038 /nfs/dbraw/zinc/54/70/38/569547038.db2.gz NQOWJGVTDHKKCG-DNQXCXABSA-N 0 0 434.536 3.943 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1OC ZINC000009568830 569547456 /nfs/dbraw/zinc/54/74/56/569547456.db2.gz DPOGODRNJYNOIH-FQEVSTJZSA-N 0 0 445.519 3.898 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(Cl)cc4)n3n2)cc1 ZINC000009568964 569547479 /nfs/dbraw/zinc/54/74/79/569547479.db2.gz WRWVWFWUIHECKR-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN Cc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009569056 569547547 /nfs/dbraw/zinc/54/75/47/569547547.db2.gz DVAONEMHSHSNRA-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(Cl)cc1 ZINC000009570789 569547664 /nfs/dbraw/zinc/54/76/64/569547664.db2.gz ZHFIXGUTZSUFOY-UHFFFAOYSA-N 0 0 429.267 3.863 50 0 IHAARN COc1cc(/C=C2/c3ccc(Cl)cc3N(CN3CCOCC3)C2=O)cc(OC)c1OC ZINC000009576200 569548074 /nfs/dbraw/zinc/54/80/74/569548074.db2.gz YZFBCJJPFDQPJR-ZDLGFXPLSA-N 0 0 444.915 3.543 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)N2CCOCC2)nn1 ZINC000009578183 569548289 /nfs/dbraw/zinc/54/82/89/569548289.db2.gz ONBXAERXKYOKRA-UHFFFAOYSA-N 0 0 430.530 3.666 50 0 IHAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Cl)s1)CC2)c1cccs1 ZINC000070638683 569549032 /nfs/dbraw/zinc/54/90/32/569549032.db2.gz UZZRJOGHUYOGOF-UHFFFAOYSA-N 0 0 446.000 3.919 50 0 IHAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070641051 569549073 /nfs/dbraw/zinc/54/90/73/569549073.db2.gz DNIZNJIJLOPDJV-UHFFFAOYSA-N 0 0 438.535 3.533 50 0 IHAARN O=C(COC(=O)CNC(=O)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009582745 569549240 /nfs/dbraw/zinc/54/92/40/569549240.db2.gz QZNZEFSANVNECD-UHFFFAOYSA-N 0 0 448.319 3.636 50 0 IHAARN COc1cc([C@@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)ccc1OC(=O)c1ccccc1 ZINC000009585221 569549501 /nfs/dbraw/zinc/54/95/01/569549501.db2.gz MLLFPCUQNYNPTA-QHCPKHFHSA-N 0 0 431.448 3.857 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000009587222 569549807 /nfs/dbraw/zinc/54/98/07/569549807.db2.gz MLOUOOBFENNYCR-UHFFFAOYSA-N 0 0 432.451 3.966 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)N1CCc2ccccc21 ZINC000009590909 569550085 /nfs/dbraw/zinc/55/00/85/569550085.db2.gz SNKLZANOVWVGPK-UHFFFAOYSA-N 0 0 437.912 3.856 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)Cn2nnc3ccccc32)cc1OC ZINC000009591155 569550203 /nfs/dbraw/zinc/55/02/03/569550203.db2.gz CJEXNHLWRZQLKH-IBGZPJMESA-N 0 0 447.520 3.888 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009593187 569550381 /nfs/dbraw/zinc/55/03/81/569550381.db2.gz QMWXTMCWNIQAFQ-JOCHJYFZSA-N 0 0 426.476 3.984 50 0 IHAARN COc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009594121 569550492 /nfs/dbraw/zinc/55/04/92/569550492.db2.gz WZHAUXNSBAWHSK-JOCHJYFZSA-N 0 0 442.475 3.684 50 0 IHAARN CCc1ccc(-c2nnn(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000009594168 569550604 /nfs/dbraw/zinc/55/06/04/569550604.db2.gz BWEANQBOGAGLDG-UHFFFAOYSA-N 0 0 432.553 3.918 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009598562 569551061 /nfs/dbraw/zinc/55/10/61/569551061.db2.gz VOTBMTJAYCVWCH-BJKOFHAPSA-N 0 0 426.472 3.569 50 0 IHAARN COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1N ZINC000009608676 569552215 /nfs/dbraw/zinc/55/22/15/569552215.db2.gz XRFUMCZJZSOWKI-UHFFFAOYSA-N 0 0 430.306 3.549 50 0 IHAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccccc3C(N)=O)c2C)c1-c1ccccc1 ZINC000009609903 569552493 /nfs/dbraw/zinc/55/24/93/569552493.db2.gz YJDPEGLFOXBLJV-UHFFFAOYSA-N 0 0 427.508 3.992 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000009610370 569552537 /nfs/dbraw/zinc/55/25/37/569552537.db2.gz MHQJQXCAVDUBNX-UHFFFAOYSA-N 0 0 435.528 3.696 50 0 IHAARN O=C(c1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)c2cc3c(cc2c1=O)OCO3 ZINC000009610764 569552654 /nfs/dbraw/zinc/55/26/54/569552654.db2.gz HRWRJHPIAOCSEF-UHFFFAOYSA-N 0 0 445.402 3.877 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 ZINC000009612716 569552930 /nfs/dbraw/zinc/55/29/30/569552930.db2.gz HKOYISMBFLPZHS-UHFFFAOYSA-N 0 0 449.503 3.555 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)cc3O)cc2)cc1 ZINC000009614050 569553106 /nfs/dbraw/zinc/55/31/06/569553106.db2.gz HGNFEPYGQCLANE-UHFFFAOYSA-N 0 0 438.505 3.634 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1cccc(Br)c1 ZINC000009614537 569553117 /nfs/dbraw/zinc/55/31/17/569553117.db2.gz JLHNBNFWJCDCSX-QFIPXVFZSA-N 0 0 443.341 3.700 50 0 IHAARN COc1cccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009627915 569553586 /nfs/dbraw/zinc/55/35/86/569553586.db2.gz WVNYLAHSJWSNPS-UHFFFAOYSA-N 0 0 429.929 3.959 50 0 IHAARN CCCn1c(-c2ccc(OC(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000009631501 569553762 /nfs/dbraw/zinc/55/37/62/569553762.db2.gz RLSMDIQFMAGYIO-UHFFFAOYSA-N 0 0 426.423 3.613 50 0 IHAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN(C)c1ccc2ccccc2c1 ZINC000009632662 569554056 /nfs/dbraw/zinc/55/40/56/569554056.db2.gz QARFUPNDPWCOPX-UHFFFAOYSA-N 0 0 425.510 3.560 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009633222 569554216 /nfs/dbraw/zinc/55/42/16/569554216.db2.gz ZGYPXRWAEFXUIP-UHFFFAOYSA-N 0 0 444.443 3.600 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000009634479 569554464 /nfs/dbraw/zinc/55/44/64/569554464.db2.gz XEZQOWPPRGULDB-UWJYYQICSA-N 0 0 440.565 3.792 50 0 IHAARN CN(CC(=O)Nc1nc(-c2ccccn2)cs1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009634342 569554481 /nfs/dbraw/zinc/55/44/81/569554481.db2.gz BZIXAMNUUNLTJV-UHFFFAOYSA-N 0 0 438.534 3.618 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(C)c3ccc(C)cc3)c2)on1 ZINC000009637892 569554908 /nfs/dbraw/zinc/55/49/08/569554908.db2.gz DRPZKUVMVIAQOV-UHFFFAOYSA-N 0 0 430.482 3.660 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n21 ZINC000009640836 569555480 /nfs/dbraw/zinc/55/54/80/569555480.db2.gz OFJAKGIVXSGRHJ-UHFFFAOYSA-N 0 0 425.901 3.777 50 0 IHAARN O=C(CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21)Nc1ccccc1Cl ZINC000009640920 569555545 /nfs/dbraw/zinc/55/55/45/569555545.db2.gz XBFNZQHAZRENIS-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN O=C(Oc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009645357 569556141 /nfs/dbraw/zinc/55/61/41/569556141.db2.gz BQDCWMCRHUTXQP-UHFFFAOYSA-N 0 0 430.345 3.517 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1cccs1 ZINC000009642287 569555799 /nfs/dbraw/zinc/55/57/99/569555799.db2.gz QFICGFRIDOVOFU-UHFFFAOYSA-N 0 0 427.555 3.884 50 0 IHAARN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009644308 569555995 /nfs/dbraw/zinc/55/59/95/569555995.db2.gz PYHVLTWCABWOKR-UHFFFAOYSA-N 0 0 430.423 3.884 50 0 IHAARN C[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000009644674 569556056 /nfs/dbraw/zinc/55/60/56/569556056.db2.gz ICLDVQLDEKVWAO-MRVPVSSYSA-N 0 0 431.659 3.805 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)on1 ZINC000009644616 569556066 /nfs/dbraw/zinc/55/60/66/569556066.db2.gz MGUGKUCJSSOIDH-UHFFFAOYSA-N 0 0 442.423 3.577 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)NC1CC1 ZINC000009645813 569556199 /nfs/dbraw/zinc/55/61/99/569556199.db2.gz FENPMDSGQKMRQY-HNNXBMFYSA-N 0 0 428.554 3.506 50 0 IHAARN C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009647810 569556537 /nfs/dbraw/zinc/55/65/37/569556537.db2.gz KRABUYXUUWNNPR-GOSISDBHSA-N 0 0 442.585 3.510 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCCCc3ccccc3)cs2)c1 ZINC000009659219 569556641 /nfs/dbraw/zinc/55/66/41/569556641.db2.gz MERZJRJMQSOMLI-UHFFFAOYSA-N 0 0 439.537 3.704 50 0 IHAARN Cn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 ZINC000009659705 569556710 /nfs/dbraw/zinc/55/67/10/569556710.db2.gz MIAHDTLHDBQWOP-UHFFFAOYSA-N 0 0 443.290 3.636 50 0 IHAARN O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009660989 569556916 /nfs/dbraw/zinc/55/69/16/569556916.db2.gz IKMDYTKZZBGYKQ-UHFFFAOYSA-N 0 0 447.516 3.681 50 0 IHAARN C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 ZINC000009663895 569557330 /nfs/dbraw/zinc/55/73/30/569557330.db2.gz UPEUVEYJBVAJIC-OCCSQVGLSA-N 0 0 425.601 3.511 50 0 IHAARN COc1ccc(CNc2nc(-c3cccs3)nn2S(=O)(=O)c2ccccc2)cc1 ZINC000009667649 569557838 /nfs/dbraw/zinc/55/78/38/569557838.db2.gz RGNMOJHNMWYICC-UHFFFAOYSA-N 0 0 426.523 3.864 50 0 IHAARN CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009669454 569558068 /nfs/dbraw/zinc/55/80/68/569558068.db2.gz YMQYAIHPPSFDDD-MGPUTAFESA-N 0 0 440.521 3.582 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009671050 569558439 /nfs/dbraw/zinc/55/84/39/569558439.db2.gz RYTIMPUMCUAMMI-NRFANRHFSA-N 0 0 432.476 3.507 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccco3)C2)cc1 ZINC000009673716 569558975 /nfs/dbraw/zinc/55/89/75/569558975.db2.gz HUDURDYMNQYWKL-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)cc(C)c3)cc2C[C@@H]1C ZINC000009677047 569559465 /nfs/dbraw/zinc/55/94/65/569559465.db2.gz PDPRXNUDWFCWKA-KRWDZBQOSA-N 0 0 428.554 3.794 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)cc2C[C@H]1C ZINC000009676951 569559477 /nfs/dbraw/zinc/55/94/77/569559477.db2.gz TUOQMSXRHHHCIJ-OAHLLOKOSA-N 0 0 448.972 3.508 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(CC)c3)cc2C[C@@H]1C ZINC000009677078 569559540 /nfs/dbraw/zinc/55/95/40/569559540.db2.gz PYUWQCYKRBOGHG-INIZCTEOSA-N 0 0 428.554 3.739 50 0 IHAARN COC(=O)c1cc(N[C@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc(C(=O)OC)c1 ZINC000009681214 569560235 /nfs/dbraw/zinc/56/02/35/569560235.db2.gz DPACJFOKSLYCBE-OAQYLSRUSA-N 0 0 431.448 3.734 50 0 IHAARN Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)coc2c1 ZINC000009684506 569560557 /nfs/dbraw/zinc/56/05/57/569560557.db2.gz GWNDBBIPWMXTGD-UHFFFAOYSA-N 0 0 448.928 3.597 50 0 IHAARN O=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009685442 569560604 /nfs/dbraw/zinc/56/06/04/569560604.db2.gz DNOSGTLGKJWJFY-UHFFFAOYSA-N 0 0 426.542 3.630 50 0 IHAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(F)cc2F)c(C)n1C ZINC000009685282 569560621 /nfs/dbraw/zinc/56/06/21/569560621.db2.gz MXTVSRGUVYUIBQ-UHFFFAOYSA-N 0 0 425.501 3.737 50 0 IHAARN COCCN(Cc1cccs1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000009685744 569560742 /nfs/dbraw/zinc/56/07/42/569560742.db2.gz IOSWWXJZDINPDU-UHFFFAOYSA-N 0 0 432.567 3.894 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 ZINC000009689684 569560923 /nfs/dbraw/zinc/56/09/23/569560923.db2.gz SHPGRRNXEKAVBL-RTBURBONSA-N 0 0 444.572 3.851 50 0 IHAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009691123 569560994 /nfs/dbraw/zinc/56/09/94/569560994.db2.gz CASWUECFTAOUFV-UHFFFAOYSA-N 0 0 449.580 3.809 50 0 IHAARN CC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 ZINC000009703558 569561371 /nfs/dbraw/zinc/56/13/71/569561371.db2.gz AYSPSWMYGOJJPW-HSZRJFAPSA-N 0 0 444.597 3.958 50 0 IHAARN CCOc1ccc(/N=c2\scc(-c3ccc(OC)c(OC)c3)n2N2CCOCC2)cc1 ZINC000009707472 569561539 /nfs/dbraw/zinc/56/15/39/569561539.db2.gz NMMKNUUMNIJQPG-VHXPQNKSSA-N 0 0 441.553 3.833 50 0 IHAARN CCCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1 ZINC000009707638 569561619 /nfs/dbraw/zinc/56/16/19/569561619.db2.gz NQAJWZRAUJCIMV-UHFFFAOYSA-N 0 0 429.498 3.961 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-n1cccc1 ZINC000009707823 569561722 /nfs/dbraw/zinc/56/17/22/569561722.db2.gz WEKGLGJXDKVVCM-UHFFFAOYSA-N 0 0 440.916 3.846 50 0 IHAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009712049 569562112 /nfs/dbraw/zinc/56/21/12/569562112.db2.gz DOCSIOPMHUCVHB-UHFFFAOYSA-N 0 0 441.531 3.961 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 ZINC000009712186 569562197 /nfs/dbraw/zinc/56/21/97/569562197.db2.gz MEZLWRPHRZKQPB-LBPRGKRZSA-N 0 0 428.949 3.852 50 0 IHAARN Cc1ccsc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009712473 569562237 /nfs/dbraw/zinc/56/22/37/569562237.db2.gz HBTMUTPDLYEJIO-UHFFFAOYSA-N 0 0 430.507 3.881 50 0 IHAARN CCn1cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c(=O)c2ccc(C)nc21 ZINC000009716554 569563241 /nfs/dbraw/zinc/56/32/41/569563241.db2.gz IPJLUFMDONPGSV-IBGZPJMESA-N 0 0 435.553 3.825 50 0 IHAARN C[C@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721796 569563445 /nfs/dbraw/zinc/56/34/45/569563445.db2.gz PGZGYZWCDKDOBY-CQSZACIVSA-N 0 0 446.956 3.830 50 0 IHAARN COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723345 569563600 /nfs/dbraw/zinc/56/36/00/569563600.db2.gz WKMNOQIJLXTCOZ-UHFFFAOYSA-N 0 0 449.573 3.724 50 0 IHAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000009729721 569564260 /nfs/dbraw/zinc/56/42/60/569564260.db2.gz ZQJAWOJGLFRUIQ-UZLBHIALSA-N 0 0 440.544 3.773 50 0 IHAARN O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000009729774 569564269 /nfs/dbraw/zinc/56/42/69/569564269.db2.gz MMZDNJWGRNPBKJ-UHFFFAOYSA-N 0 0 447.339 3.983 50 0 IHAARN CCNC(=O)NC(=O)[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccccc1 ZINC000009730416 569564425 /nfs/dbraw/zinc/56/44/25/569564425.db2.gz IZPAODLTTZSYAC-KRWDZBQOSA-N 0 0 446.916 3.981 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)n2-n2cccc2)cc1 ZINC000009737941 569564835 /nfs/dbraw/zinc/56/48/35/569564835.db2.gz MLDQRARLUQZMLR-UHFFFAOYSA-N 0 0 437.500 3.860 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000009742291 569565388 /nfs/dbraw/zinc/56/53/88/569565388.db2.gz VZVFHQHMQXOHSA-GOSISDBHSA-N 0 0 443.518 3.520 50 0 IHAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000009743463 569565461 /nfs/dbraw/zinc/56/54/61/569565461.db2.gz BPBGHDZDGFTHJP-UHFFFAOYSA-N 0 0 443.510 3.950 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c(OC)c1 ZINC000009761425 569566252 /nfs/dbraw/zinc/56/62/52/569566252.db2.gz PZCXLBAGWWJYOE-UHFFFAOYSA-N 0 0 445.928 3.942 50 0 IHAARN CCS(=O)(=O)c1ccc2oc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)nc2c1 ZINC000009767168 569566888 /nfs/dbraw/zinc/56/68/88/569566888.db2.gz OGMDUTUUECMXEZ-UHFFFAOYSA-N 0 0 447.563 3.700 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1 ZINC000009776986 569567119 /nfs/dbraw/zinc/56/71/19/569567119.db2.gz LGONRYMJIQNUCL-DQEYMECFSA-N 0 0 442.515 3.857 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)n1 ZINC000009778985 569567344 /nfs/dbraw/zinc/56/73/44/569567344.db2.gz JWIYEORSFNDOIE-XMMPIXPASA-N 0 0 445.527 3.596 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)nc2n1 ZINC000009781431 569567542 /nfs/dbraw/zinc/56/75/42/569567542.db2.gz NTASQMRZGWFFHV-UHFFFAOYSA-N 0 0 438.582 3.849 50 0 IHAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O ZINC000009780987 569567573 /nfs/dbraw/zinc/56/75/73/569567573.db2.gz ZBXJOAKMPOHIFO-SANMLTNESA-N 0 0 445.519 3.681 50 0 IHAARN Cn1c2nc(NC3CCCCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009781377 569567575 /nfs/dbraw/zinc/56/75/75/569567575.db2.gz XMLFMOCNIMYRBX-UHFFFAOYSA-N 0 0 436.343 3.533 50 0 biogenic IHAARN CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)n1 ZINC000009784622 569567905 /nfs/dbraw/zinc/56/79/05/569567905.db2.gz JZWXKIHMMZULLA-UHFFFAOYSA-N 0 0 445.526 3.530 50 0 IHAARN Cc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(Cl)cc1Cl ZINC000009789011 569568014 /nfs/dbraw/zinc/56/80/14/569568014.db2.gz YIKQHGNFWJOZGL-APBUJDDRSA-N 0 0 427.332 3.772 50 0 IHAARN Cn1c2nc3oc(-c4ccccc4)cn3c2c(=O)n(Cc2c(Cl)cccc2Cl)c1=O ZINC000009789629 569568093 /nfs/dbraw/zinc/56/80/93/569568093.db2.gz PNJDNTQCJWWVDE-UHFFFAOYSA-N 0 0 441.274 3.963 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2cccnc2)o1 ZINC000009796122 569568421 /nfs/dbraw/zinc/56/84/21/569568421.db2.gz UVSARNJUNPLHRU-UHFFFAOYSA-N 0 0 442.526 3.774 50 0 IHAARN O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000009805373 569568670 /nfs/dbraw/zinc/56/86/70/569568670.db2.gz RRZPZTKOVQDEJR-MHZLTWQESA-N 0 0 441.575 3.664 50 0 IHAARN CN(C)[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccco1 ZINC000009813025 569569084 /nfs/dbraw/zinc/56/90/84/569569084.db2.gz HBIVYBAFBGUMTN-MRXNPFEDSA-N 0 0 444.885 3.982 50 0 IHAARN CN(C)[C@@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccco1 ZINC000009813022 569569086 /nfs/dbraw/zinc/56/90/86/569569086.db2.gz HBIVYBAFBGUMTN-INIZCTEOSA-N 0 0 444.885 3.982 50 0 IHAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000009822185 569569513 /nfs/dbraw/zinc/56/95/13/569569513.db2.gz LZSOWRFRJQLZHL-UHFFFAOYSA-N 0 0 425.920 3.930 50 0 IHAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009831813 569570214 /nfs/dbraw/zinc/57/02/14/569570214.db2.gz PLQZEUAFXNIVIZ-UHFFFAOYSA-N 0 0 436.489 3.957 50 0 IHAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009834787 569570596 /nfs/dbraw/zinc/57/05/96/569570596.db2.gz KNZSITJUJNPNFG-UHFFFAOYSA-N 0 0 447.900 3.532 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2)n1CCc1ccccc1 ZINC000009858306 569571716 /nfs/dbraw/zinc/57/17/16/569571716.db2.gz NNMMSYNNVKENIY-UHFFFAOYSA-N 0 0 445.592 3.859 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCn1cnc2ccccc21 ZINC000009859984 569571791 /nfs/dbraw/zinc/57/17/91/569571791.db2.gz OBQZKHZJXGOQLQ-UHFFFAOYSA-N 0 0 426.524 3.988 50 0 IHAARN CCCN(C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O)c1ccc(F)cc1 ZINC000009860795 569571890 /nfs/dbraw/zinc/57/18/90/569571890.db2.gz MBVIUXPPCFHOQR-UHFFFAOYSA-N 0 0 430.483 3.965 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009862917 569572066 /nfs/dbraw/zinc/57/20/66/569572066.db2.gz YPNFWEDYDCKPNH-LSDHHAIUSA-N 0 0 437.521 3.640 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009862529 569572076 /nfs/dbraw/zinc/57/20/76/569572076.db2.gz SECFFKCETAHDLT-GOSISDBHSA-N 0 0 436.537 3.535 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009876163 569572590 /nfs/dbraw/zinc/57/25/90/569572590.db2.gz PVEZLSZLIUQSMX-UHFFFAOYSA-N 0 0 446.580 3.592 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)c1 ZINC000009900566 569573045 /nfs/dbraw/zinc/57/30/45/569573045.db2.gz LPNLFFGDPBSBGB-HSZRJFAPSA-N 0 0 435.524 3.524 50 0 IHAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900950 569573086 /nfs/dbraw/zinc/57/30/86/569573086.db2.gz OVWRGBFILVCROI-OAQYLSRUSA-N 0 0 437.565 3.613 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)N1CCCC[C@@H]1C ZINC000009937406 569573792 /nfs/dbraw/zinc/57/37/92/569573792.db2.gz AWTWHQFARXTJKK-ZDUSSCGKSA-N 0 0 445.972 3.885 50 0 IHAARN CS(=O)(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl ZINC000009948600 569574152 /nfs/dbraw/zinc/57/41/52/569574152.db2.gz LQBDQDBHYSSXMV-UHFFFAOYSA-N 0 0 426.329 3.617 50 0 IHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009949042 569574232 /nfs/dbraw/zinc/57/42/32/569574232.db2.gz DVPORQCTAPWUNB-LJQANCHMSA-N 0 0 446.525 3.864 50 0 IHAARN COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000009949607 569574255 /nfs/dbraw/zinc/57/42/55/569574255.db2.gz DGECLROXRARGKY-MRXNPFEDSA-N 0 0 440.521 3.568 50 0 IHAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1 ZINC000009950077 569574346 /nfs/dbraw/zinc/57/43/46/569574346.db2.gz ZGTKVXJDOSRIPH-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000009951905 569574538 /nfs/dbraw/zinc/57/45/38/569574538.db2.gz UMFVKBKQTACIIX-LLVKDONJSA-N 0 0 438.340 3.635 50 0 IHAARN Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n(C2CCCC2)c1C ZINC000009956839 569574757 /nfs/dbraw/zinc/57/47/57/569574757.db2.gz TVYKAEFDVSYSDN-UHFFFAOYSA-N 0 0 440.491 3.879 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000071327228 569575150 /nfs/dbraw/zinc/57/51/50/569575150.db2.gz BYHKBCRUUSRFAC-UHFFFAOYSA-N 0 0 443.891 3.538 50 0 IHAARN Cc1occc1-c1nnc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1N ZINC000009959718 569575243 /nfs/dbraw/zinc/57/52/43/569575243.db2.gz XEFOWBAKXOWLFD-MWLCHTKSSA-N 0 0 442.570 3.836 50 0 IHAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NC(C)C)c2ccccc21 ZINC000010004053 569576990 /nfs/dbraw/zinc/57/69/90/569576990.db2.gz AFQYCZYKDSGXFP-MOSHPQCFSA-N 0 0 435.524 3.974 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1C ZINC000010086386 569577693 /nfs/dbraw/zinc/57/76/93/569577693.db2.gz UHIAAAKMABZWAN-WOJBJXKFSA-N 0 0 432.973 3.593 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC000010099523 569577782 /nfs/dbraw/zinc/57/77/82/569577782.db2.gz CWNYIKZWAIRWTD-UHFFFAOYSA-N 0 0 442.493 3.645 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010128368 569577994 /nfs/dbraw/zinc/57/79/94/569577994.db2.gz IFZOADWMTHBWCL-HSZRJFAPSA-N 0 0 436.533 3.726 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000010131940 569578074 /nfs/dbraw/zinc/57/80/74/569578074.db2.gz GCIIYCFIAWSAHI-UHFFFAOYSA-N 0 0 428.286 3.629 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187153 569578519 /nfs/dbraw/zinc/57/85/19/569578519.db2.gz OHFMJJYFLJYAKP-NSHDSACASA-N 0 0 431.992 3.529 50 0 IHAARN COC(=O)c1ccccc1N(C)C(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000010187775 569578721 /nfs/dbraw/zinc/57/87/21/569578721.db2.gz UPCZILUYRUIPGN-UHFFFAOYSA-N 0 0 428.847 3.752 50 0 IHAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000010228642 569579298 /nfs/dbraw/zinc/57/92/98/569579298.db2.gz ZHPHUFCYGXRIDZ-INIZCTEOSA-N 0 0 439.523 3.890 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010235359 569579664 /nfs/dbraw/zinc/57/96/64/569579664.db2.gz VMBSWWJYOBGJNQ-UHFFFAOYSA-N 0 0 446.532 3.662 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)NCc3ccc(Cn4cccn4)cc3)c(=O)oc2c1 ZINC000010276432 569580396 /nfs/dbraw/zinc/58/03/96/569580396.db2.gz JALNNZBIZKCSRW-UHFFFAOYSA-N 0 0 431.492 3.604 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000010307670 569580625 /nfs/dbraw/zinc/58/06/25/569580625.db2.gz VVJAQFZBQNNLTQ-UHFFFAOYSA-N 0 0 443.507 3.640 50 0 IHAARN COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1 ZINC000071768392 569580710 /nfs/dbraw/zinc/58/07/10/569580710.db2.gz WIYUUMCDLFRDGO-UHFFFAOYSA-N 0 0 432.484 3.553 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(CC)no4)ccn3)cn2)cc1 ZINC000071768519 569580752 /nfs/dbraw/zinc/58/07/52/569580752.db2.gz CHHNZZIJLKHIPX-UHFFFAOYSA-N 0 0 432.484 3.599 50 0 IHAARN CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000010337367 569581290 /nfs/dbraw/zinc/58/12/90/569581290.db2.gz ITHZDXIICUVITM-UHFFFAOYSA-N 0 0 437.612 3.750 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(C)C(=O)N(C)[C@@H]2c2ccc(F)c(Br)c2)no1 ZINC000010353591 569581410 /nfs/dbraw/zinc/58/14/10/569581410.db2.gz NSYICHGFKYJYNU-MRXNPFEDSA-N 0 0 437.269 3.836 50 0 IHAARN COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000010423518 569582057 /nfs/dbraw/zinc/58/20/57/569582057.db2.gz ZHBZQIHFZSZPFN-UHFFFAOYSA-N 0 0 442.581 3.722 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)Cc2ccccc2)cc1 ZINC000010504647 569582591 /nfs/dbraw/zinc/58/25/91/569582591.db2.gz QHOLVMRDGYCLFZ-UHFFFAOYSA-N 0 0 437.565 3.905 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000010512502 569582656 /nfs/dbraw/zinc/58/26/56/569582656.db2.gz UPNAQHLFGAWGGQ-OAHLLOKOSA-N 0 0 439.603 3.683 50 0 IHAARN COc1cc2cc(C(=O)NCCC(=O)Nc3nc4ccccc4s3)n(C)c2cc1OC ZINC000012325069 569584407 /nfs/dbraw/zinc/58/44/07/569584407.db2.gz COCOFOFBRZGPFJ-UHFFFAOYSA-N 0 0 438.509 3.564 50 0 IHAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(=O)n(Cc2cccs2)c1=O ZINC000077099305 569585182 /nfs/dbraw/zinc/58/51/82/569585182.db2.gz XPJAIKFTDUJKQQ-UHFFFAOYSA-N 0 0 445.544 3.598 50 0 IHAARN Cn1nc(C2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)n(C2CC2)c1=O ZINC000077148936 569585688 /nfs/dbraw/zinc/58/56/88/569585688.db2.gz WNMUEGVXZXMAEH-UHFFFAOYSA-N 0 0 431.540 3.595 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000077192058 569586043 /nfs/dbraw/zinc/58/60/43/569586043.db2.gz CBUUKGDPEAPCFL-OAHLLOKOSA-N 0 0 436.921 3.513 50 0 IHAARN O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc(F)c(Cl)c1 ZINC000077192087 569586035 /nfs/dbraw/zinc/58/60/35/569586035.db2.gz BVNOYKMEDJBDSB-UHFFFAOYSA-N 0 0 434.880 3.778 50 0 IHAARN COc1cccc2cc(C(=O)N3CCc4nc(NC(=O)c5cc(C)on5)sc4C3)oc21 ZINC000077196418 569586099 /nfs/dbraw/zinc/58/60/99/569586099.db2.gz MWCNZTHAMGZJMP-UHFFFAOYSA-N 0 0 438.465 3.645 50 0 IHAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077198158 569586254 /nfs/dbraw/zinc/58/62/54/569586254.db2.gz FCUZNCCZTSNVIS-SECBINFHSA-N 0 0 429.342 3.676 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000077200269 569586370 /nfs/dbraw/zinc/58/63/70/569586370.db2.gz ODQAOTQSADTZOX-SJLPKXTDSA-N 0 0 434.514 3.542 50 0 IHAARN O=c1c(-c2nc(C3CC3)no2)cccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000077200490 569586413 /nfs/dbraw/zinc/58/64/13/569586413.db2.gz NPEGGFZDHCRDMJ-UHFFFAOYSA-N 0 0 429.358 3.893 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)n(C)n2)c1 ZINC000077200977 569586565 /nfs/dbraw/zinc/58/65/65/569586565.db2.gz BXCQXCNBNGVYQY-IBGZPJMESA-N 0 0 449.429 3.587 50 0 IHAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccc(OC)c(OC)c1OC)NC3=O ZINC000078546588 569586664 /nfs/dbraw/zinc/58/66/64/569586664.db2.gz IVLLTFDODUCUTI-LJQANCHMSA-N 0 0 429.498 3.631 50 0 IHAARN O=C(c1cc(F)cc2c1OCOC2)N1CCO[C@H](COCc2ccc(F)cc2Cl)C1 ZINC000022651499 569587256 /nfs/dbraw/zinc/58/72/56/569587256.db2.gz FUGLPNVKMLYJDZ-KRWDZBQOSA-N 0 0 439.842 3.543 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000033073848 569587336 /nfs/dbraw/zinc/58/73/36/569587336.db2.gz UWUFXNLJMBSJPZ-UHFFFAOYSA-N 0 0 426.948 3.504 50 0 IHAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)COC ZINC000036116830 569587846 /nfs/dbraw/zinc/58/78/46/569587846.db2.gz RDOATSGRBWTGEH-NRFANRHFSA-N 0 0 444.597 3.871 50 0 IHAARN COC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2cccc(F)c2O)C1=O ZINC000036257625 569587961 /nfs/dbraw/zinc/58/79/61/569587961.db2.gz IXCBMFIDOPTQGW-CXUHLZMHSA-N 0 0 431.441 3.702 50 0 IHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC4CC4)N32)cc1 ZINC000100932847 569588179 /nfs/dbraw/zinc/58/81/79/569588179.db2.gz UXQYRSNYBOHUSS-NRFANRHFSA-N 0 0 441.553 3.890 50 0 IHAARN O=C(NC1CCCC1)c1cnc(N2CCN(CCOc3ccccc3)CC2)c(Cl)c1 ZINC000097831061 721959979 /nfs/dbraw/zinc/95/99/79/721959979.db2.gz NXGPPTMIXKTKHA-UHFFFAOYSA-N 0 0 428.964 3.608 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1nn(C)cc1Cl)C[C@@H](C)CC2 ZINC000000659009 193875604 /nfs/dbraw/zinc/87/56/04/193875604.db2.gz WMMNTQZWOBSPNN-VIFPVBQESA-N 0 0 440.978 3.563 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 ZINC000006136672 193880999 /nfs/dbraw/zinc/88/09/99/193880999.db2.gz YVUVJNNGNJHXQW-OAQYLSRUSA-N 0 0 448.454 3.596 50 0 IHAARN O=C(c1nc2sccn2c1CN1CCN(C/C=C/c2ccccc2)CC1)N1CCCCC1 ZINC000019762552 193915427 /nfs/dbraw/zinc/91/54/27/193915427.db2.gz VMZQTAMFTLZWGI-JXMROGBWSA-N 0 0 449.624 3.853 50 0 IHAARN CC(C)n1nnc(-c2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000096231726 193938601 /nfs/dbraw/zinc/93/86/01/193938601.db2.gz ZJWZADVOHVZMRT-UHFFFAOYSA-N 0 0 425.920 3.698 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000000806981 132230735 /nfs/dbraw/zinc/23/07/35/132230735.db2.gz DVMZYDOSKQZIPR-UHFFFAOYSA-N 0 0 435.480 3.512 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000000809573 132231005 /nfs/dbraw/zinc/23/10/05/132231005.db2.gz NMEGAGRGALCQLO-UHFFFAOYSA-N 0 0 443.503 3.938 50 0 IHAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)cc1 ZINC000009518963 132232745 /nfs/dbraw/zinc/23/27/45/132232745.db2.gz IHYMOLOMPSCXON-VQFGERMISA-N 0 0 441.535 3.706 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(Cl)cc3)n(C)c2=O)c1 ZINC000009519076 132232955 /nfs/dbraw/zinc/23/29/55/132232955.db2.gz SQHPWPHPZDEVDT-INIZCTEOSA-N 0 0 449.942 3.695 50 0 IHAARN 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Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)cc1C ZINC000008969079 132298979 /nfs/dbraw/zinc/29/89/79/132298979.db2.gz YEOQIIULOSKCDF-QGZVFWFLSA-N 0 0 443.551 3.544 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2cc(C)ccc2C)c4=O)cc1 ZINC000009009719 132300443 /nfs/dbraw/zinc/30/04/43/132300443.db2.gz DLRMNSPIEDKJCI-UHFFFAOYSA-N 0 0 443.551 3.666 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)c1 ZINC000009087930 132302394 /nfs/dbraw/zinc/30/23/94/132302394.db2.gz XNAAGRPQCDRYPP-LJQANCHMSA-N 0 0 443.551 3.658 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)SCCO1 ZINC000009115089 132303600 /nfs/dbraw/zinc/30/36/00/132303600.db2.gz CSEKPKPDFOMILO-UHFFFAOYSA-N 0 0 441.528 3.722 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009127320 132305379 /nfs/dbraw/zinc/30/53/79/132305379.db2.gz LTNQQHLDSQCTOT-UHFFFAOYSA-N 0 0 445.548 3.968 50 0 IHAARN O=C(CSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000009209225 132308778 /nfs/dbraw/zinc/30/87/78/132308778.db2.gz WJKBRYWUBMYMAY-UHFFFAOYSA-N 0 0 427.545 3.503 50 0 IHAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000009265403 132311932 /nfs/dbraw/zinc/31/19/32/132311932.db2.gz DIBFBSXBTUTEQC-UHFFFAOYSA-N 0 0 440.503 3.971 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1cccc(Br)c1)C[C@@H](C)O2 ZINC000009287048 132312643 /nfs/dbraw/zinc/31/26/43/132312643.db2.gz OPVGFAYLXKJGCK-OAHLLOKOSA-N 0 0 431.330 3.968 50 0 IHAARN CCOc1ccc(CCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)cc1OCC ZINC000009287110 132312665 /nfs/dbraw/zinc/31/26/65/132312665.db2.gz GDNPJEZTATUFBP-GOSISDBHSA-N 0 0 440.540 3.737 50 0 IHAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(C(=O)c4ccco4)CC3)c2cc1OC ZINC000009365073 132314537 /nfs/dbraw/zinc/31/45/37/132314537.db2.gz MUPPQFUTIVNYQN-UHFFFAOYSA-N 0 0 444.491 3.869 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)C2)cc1 ZINC000009405973 132315392 /nfs/dbraw/zinc/31/53/92/132315392.db2.gz KBPFHUYVNSRIFY-UYAOXDASSA-N 0 0 437.540 3.739 50 0 IHAARN CCCc1cc(N2CCN(c3nc(C)cc(C)n3)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000009435603 132317557 /nfs/dbraw/zinc/31/75/57/132317557.db2.gz VTLBLEMGJPCLQQ-UHFFFAOYSA-N 0 0 430.560 3.580 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1csc(-c2ccsc2)n1 ZINC000009513160 132320063 /nfs/dbraw/zinc/32/00/63/132320063.db2.gz ZEBKSFBGZYJXML-UHFFFAOYSA-N 0 0 428.583 3.779 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2N2CCCCC2)cc1 ZINC000009539963 132321113 /nfs/dbraw/zinc/32/11/13/132321113.db2.gz OCAUAABUWCCDBI-UHFFFAOYSA-N 0 0 429.542 3.835 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccc(Cl)cc4)C3=O)C[C@@H]2C)c1 ZINC000009561603 132321577 /nfs/dbraw/zinc/32/15/77/132321577.db2.gz XRIRXBFFDQYGJN-IBGZPJMESA-N 0 0 440.975 3.623 50 0 IHAARN Cn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000009692075 132325913 /nfs/dbraw/zinc/32/59/13/132325913.db2.gz RMJGCXTZBCKBGO-UHFFFAOYSA-N 0 0 427.957 3.633 50 0 IHAARN CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708854 132326858 /nfs/dbraw/zinc/32/68/58/132326858.db2.gz UAHBYAIHGWYTNP-UHFFFAOYSA-N 0 0 434.500 3.681 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)c1C ZINC000009737613 132327954 /nfs/dbraw/zinc/32/79/54/132327954.db2.gz ZCGDBCSPAWMDEY-UHFFFAOYSA-N 0 0 437.565 3.809 50 0 IHAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCCc2ccccc21 ZINC000009782050 132328927 /nfs/dbraw/zinc/32/89/27/132328927.db2.gz XOPZQSHSZREGBJ-UHFFFAOYSA-N 0 0 428.485 3.589 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 ZINC000009938786 132332473 /nfs/dbraw/zinc/33/24/73/132332473.db2.gz HLWDTIHNSDLAQI-AWEZNQCLSA-N 0 0 433.986 3.947 50 0 IHAARN C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000009990444 132333627 /nfs/dbraw/zinc/33/36/27/132333627.db2.gz ZQTSNEYNHCPXPY-QLXKLKPCSA-N 0 0 427.504 3.975 50 0 IHAARN O=C(OCc1ccccc1Cl)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010025545 132334138 /nfs/dbraw/zinc/33/41/38/132334138.db2.gz CESZRNOMHNQPEA-UHFFFAOYSA-N 0 0 439.825 3.756 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000010055807 132334249 /nfs/dbraw/zinc/33/42/49/132334249.db2.gz QOQPFBIJCVHECR-QHCPKHFHSA-N 0 0 435.568 3.642 50 0 IHAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000010720262 132336309 /nfs/dbraw/zinc/33/63/09/132336309.db2.gz RUYBCCIESKHCRP-UHFFFAOYSA-N 0 0 446.478 3.955 50 0 IHAARN Cc1cc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)nc(C(C)C)n1 ZINC000011009978 132336960 /nfs/dbraw/zinc/33/69/60/132336960.db2.gz GQXRSWFNXZDEKZ-INIZCTEOSA-N 0 0 447.377 3.787 50 0 IHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000011695324 132338723 /nfs/dbraw/zinc/33/87/23/132338723.db2.gz HNMUJNDYERZAGP-UHFFFAOYSA-N 0 0 430.533 3.808 50 0 IHAARN Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)c(C)c1 ZINC000011695372 132338886 /nfs/dbraw/zinc/33/88/86/132338886.db2.gz FJYRXIXDGHTUAQ-UHFFFAOYSA-N 0 0 442.972 3.925 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011776851 132339558 /nfs/dbraw/zinc/33/95/58/132339558.db2.gz WPRXCASFFZRJQV-UHFFFAOYSA-N 0 0 438.841 3.960 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 ZINC000011859372 132340565 /nfs/dbraw/zinc/34/05/65/132340565.db2.gz UBRMUKZLATUXGT-UHFFFAOYSA-N 0 0 447.944 3.649 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000011859439 132340659 /nfs/dbraw/zinc/34/06/59/132340659.db2.gz RABNAVBYIJDCJL-UHFFFAOYSA-N 0 0 447.944 3.649 50 0 IHAARN Cc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1 ZINC000013020953 132342624 /nfs/dbraw/zinc/34/26/24/132342624.db2.gz BURRJIRXCNDFBV-UHFFFAOYSA-N 0 0 429.373 3.726 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 ZINC000013072708 132344019 /nfs/dbraw/zinc/34/40/19/132344019.db2.gz OWHAPVDPMAOTGA-HXUWFJFHSA-N 0 0 446.334 3.650 50 0 IHAARN COc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OC ZINC000013364592 132346554 /nfs/dbraw/zinc/34/65/54/132346554.db2.gz BIPSXPZDRDPXTC-UHFFFAOYSA-N 0 0 439.516 3.529 50 0 IHAARN COc1cc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc(OC)c1 ZINC000013364856 132346584 /nfs/dbraw/zinc/34/65/84/132346584.db2.gz BCOBIEYIXYZDHS-UHFFFAOYSA-N 0 0 439.516 3.529 50 0 IHAARN C[C@@H](CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014129731 132356113 /nfs/dbraw/zinc/35/61/13/132356113.db2.gz VZNMNGFTRDHTGP-INIZCTEOSA-N 0 0 449.473 3.780 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1C ZINC000012797547 518229732 /nfs/dbraw/zinc/22/97/32/518229732.db2.gz MMECZNPEPWTRBE-UHFFFAOYSA-N 0 0 433.464 3.882 50 0 IHAARN CC(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)[C@H](C)Oc3ccccc3)C2)cs1 ZINC000012451335 518263037 /nfs/dbraw/zinc/26/30/37/518263037.db2.gz NMOWXNDHJBCBLP-UEXGIBASSA-N 0 0 440.565 3.871 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)c1ccc3c(c1)C(=O)N(Cc1ccccc1)C3=O)OCO2 ZINC000023656155 518295269 /nfs/dbraw/zinc/29/52/69/518295269.db2.gz PTAZMMRFDABRMR-UHFFFAOYSA-N 0 0 442.427 3.666 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)c(F)c1 ZINC000016263470 518346735 /nfs/dbraw/zinc/34/67/35/518346735.db2.gz CJXIVMXSAYRLFE-UHFFFAOYSA-N 0 0 446.906 3.734 50 0 IHAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000012544090 518350868 /nfs/dbraw/zinc/35/08/68/518350868.db2.gz RHWSIGVAHMWCCN-UHFFFAOYSA-N 0 0 430.423 3.558 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000020532653 518427889 /nfs/dbraw/zinc/42/78/89/518427889.db2.gz JRJYTOITZXAHBO-UHFFFAOYSA-N 0 0 439.537 3.509 50 0 IHAARN CC(=O)c1cccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000012797525 518453765 /nfs/dbraw/zinc/45/37/65/518453765.db2.gz VIYJOKXSQUWNQV-GOSISDBHSA-N 0 0 438.480 3.907 50 0 IHAARN C/C=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1 ZINC000024601334 518552375 /nfs/dbraw/zinc/55/23/75/518552375.db2.gz CKQZUBAEZRZRHL-ONEGZZNKSA-N 0 0 435.446 3.870 50 0 IHAARN CC(C)(C)NC(=O)NCCNc1nc(C2CC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000036003104 518742445 /nfs/dbraw/zinc/74/24/45/518742445.db2.gz TWUSTIUXJMVITP-UHFFFAOYSA-N 0 0 427.940 3.856 50 0 IHAARN CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2NC1=O ZINC000020577793 519393862 /nfs/dbraw/zinc/39/38/62/519393862.db2.gz XMZHNLKRJNWNMH-UHFFFAOYSA-N 0 0 425.554 3.560 50 0 IHAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000012789309 519443851 /nfs/dbraw/zinc/44/38/51/519443851.db2.gz KVFYAAIJOIIKDG-SJLPKXTDSA-N 0 0 444.519 3.777 50 0 IHAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)CC1CC1 ZINC000036042685 519454617 /nfs/dbraw/zinc/45/46/17/519454617.db2.gz YQHQELVZVDFWNH-UHFFFAOYSA-N 0 0 435.565 3.972 50 0 IHAARN CC(C)Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCCc1ccccc1 ZINC000012327913 519484899 /nfs/dbraw/zinc/48/48/99/519484899.db2.gz SFLYFNSQONNLLR-UHFFFAOYSA-N 0 0 438.553 3.928 50 0 IHAARN CC(C)Cn1c2nnc(SCC(=O)NCCC3=CCCCC3)n2c2ccsc2c1=O ZINC000035531869 519490404 /nfs/dbraw/zinc/49/04/04/519490404.db2.gz RHQKMRSPHFFQFC-UHFFFAOYSA-N 0 0 445.614 3.861 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3c(C)cccc3C)cc2)S1 ZINC000020895565 519643249 /nfs/dbraw/zinc/64/32/49/519643249.db2.gz JLFQLXXGPNFCQT-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3Cl)cc2)S1 ZINC000020895593 519643550 /nfs/dbraw/zinc/64/35/50/519643550.db2.gz KPPCDHLYIMYXOD-IBGZPJMESA-N 0 0 433.917 3.799 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)cc3C)cc2)S1 ZINC000020895574 519643654 /nfs/dbraw/zinc/64/36/54/519643654.db2.gz FKIUOGRAZHJEHV-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(C)N1[C@H](Cc2ccccc2OCc2ccccn2)[C@H](O)c2ccccc2S1(=O)=O ZINC000035379719 519699841 /nfs/dbraw/zinc/69/98/41/519699841.db2.gz CJCHDBNRZMVCFL-ZJSXRUAMSA-N 0 0 438.549 3.718 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccc(F)cc2)s1 ZINC000033306448 519702217 /nfs/dbraw/zinc/70/22/17/519702217.db2.gz KXWSSHCQRMCYBN-VQHVLOKHSA-N 0 0 435.502 3.791 50 0 IHAARN CC(=O)Nc1c2cc(F)ccc2n2c1C(=O)N(C(C)C)[C@](C)(C(=O)NC1CCCCC1)C2 ZINC000021866646 519702427 /nfs/dbraw/zinc/70/24/27/519702427.db2.gz RCDUDTPBWOQHTN-DEOSSOPVSA-N 0 0 442.535 3.811 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000012754412 519708232 /nfs/dbraw/zinc/70/82/32/519708232.db2.gz VCUZBZCYUOTRSJ-UHFFFAOYSA-N 0 0 444.463 3.805 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)cc1 ZINC000020577695 519711144 /nfs/dbraw/zinc/71/11/44/519711144.db2.gz VBDFWHBAFASCIV-KRWDZBQOSA-N 0 0 449.536 3.886 50 0 IHAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)C1 ZINC000021709476 519740871 /nfs/dbraw/zinc/74/08/71/519740871.db2.gz RFZQOHGQSSNBGM-SFHVURJKSA-N 0 0 425.504 3.702 50 0 IHAARN CC(C)CNC(=O)[C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)C1 ZINC000033302753 519741101 /nfs/dbraw/zinc/74/11/01/519741101.db2.gz NLCSNOHRUUDPAR-KRWDZBQOSA-N 0 0 442.560 3.634 50 0 IHAARN CC(C)CNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021662042 519741201 /nfs/dbraw/zinc/74/12/01/519741201.db2.gz DTTXUQXLQXLYPC-HXUWFJFHSA-N 0 0 427.932 3.969 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021860763 519762266 /nfs/dbraw/zinc/76/22/66/519762266.db2.gz ZZLVDWKXHLGHOE-BRVOVERQSA-N 0 0 440.588 3.761 50 0 IHAARN CC(C)OCCCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000021859185 519764131 /nfs/dbraw/zinc/76/41/31/519764131.db2.gz RAQXVIGNFLYERG-SANMLTNESA-N 0 0 433.552 3.987 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)cc1 ZINC000263615113 519779745 /nfs/dbraw/zinc/77/97/45/519779745.db2.gz APHFEIHUIGVJKN-UHFFFAOYSA-N 0 0 437.887 3.868 50 0 IHAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O ZINC000021644195 519806482 /nfs/dbraw/zinc/80/64/82/519806482.db2.gz LJYHMMZMDISEOM-LIRRHRJNSA-N 0 0 438.528 3.878 50 0 IHAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O ZINC000021644210 519828367 /nfs/dbraw/zinc/82/83/67/519828367.db2.gz LJYHMMZMDISEOM-AUUYWEPGSA-N 0 0 438.528 3.878 50 0 IHAARN CC(C)c1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)[nH]n1 ZINC000012306289 519832979 /nfs/dbraw/zinc/83/29/79/519832979.db2.gz WRMKXPVQQMZPQE-UHFFFAOYSA-N 0 0 436.516 3.548 50 0 IHAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000036002963 519869217 /nfs/dbraw/zinc/86/92/17/519869217.db2.gz RFTHDYVVLWUUIH-UHFFFAOYSA-N 0 0 444.495 3.510 50 0 IHAARN CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1c(F)cccc1Cl)[C@H](C(=O)N(C)C)C2 ZINC000065167076 519878716 /nfs/dbraw/zinc/87/87/16/519878716.db2.gz CYXDWHVGYWKWBS-IBGZPJMESA-N 0 0 445.922 3.873 50 0 IHAARN CCCNC(=O)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(C)cc2)CC1 ZINC000036002052 519883236 /nfs/dbraw/zinc/88/32/36/519883236.db2.gz MSDZSVMRBBMQBD-UHFFFAOYSA-N 0 0 433.560 3.633 50 0 IHAARN CCOCCCNC(=O)[C@@H]1CCCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)C1 ZINC000015679498 519891828 /nfs/dbraw/zinc/89/18/28/519891828.db2.gz DGRROCQLHFKILL-GOSISDBHSA-N 0 0 427.574 3.525 50 0 IHAARN CC(C)c1nnc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1Cc1ccco1 ZINC000022133462 519891854 /nfs/dbraw/zinc/89/18/54/519891854.db2.gz XJEVNJAUYODKNI-SFHVURJKSA-N 0 0 439.585 3.872 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc21 ZINC000020516321 519899329 /nfs/dbraw/zinc/89/93/29/519899329.db2.gz VCFGZBZGEVJPGV-UHFFFAOYSA-N 0 0 445.570 3.627 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 ZINC000014572940 519900085 /nfs/dbraw/zinc/90/00/85/519900085.db2.gz URVWIMYGZPVLOM-UHFFFAOYSA-N 0 0 427.460 3.798 50 0 IHAARN CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1=O ZINC000012450406 519901796 /nfs/dbraw/zinc/90/17/96/519901796.db2.gz CTSQGBQCNXPDSF-XMMPIXPASA-N 0 0 443.547 3.648 50 0 IHAARN CCCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2F)CC1 ZINC000036003155 519906054 /nfs/dbraw/zinc/90/60/54/519906054.db2.gz XNNLHJQEDVXOQL-UHFFFAOYSA-N 0 0 437.494 3.888 50 0 IHAARN CC(C)n1c(CN(C(=O)C2CC2)C2CC2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036042747 519920809 /nfs/dbraw/zinc/92/08/09/519920809.db2.gz UUJSAARZRKCQEV-UHFFFAOYSA-N 0 0 435.977 3.992 50 0 IHAARN CC(C)n1c2ccc(-c3noc(Cc4ccc(Br)cc4)n3)cc2[nH]c(=O)c1=O ZINC000035481978 519925253 /nfs/dbraw/zinc/92/52/53/519925253.db2.gz DMBJGGUDILPIDP-UHFFFAOYSA-N 0 0 441.285 3.674 50 0 IHAARN CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000012411234 520255267 /nfs/dbraw/zinc/25/52/67/520255267.db2.gz RJJIRFFCRURTOF-OAHLLOKOSA-N 0 0 445.512 3.845 50 0 IHAARN CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000012776456 520261187 /nfs/dbraw/zinc/26/11/87/520261187.db2.gz HLGFEKDHPNYQTH-HMPZBHLVSA-N 0 0 435.517 3.591 50 0 IHAARN CCCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O ZINC000012679297 520334891 /nfs/dbraw/zinc/33/48/91/520334891.db2.gz DKDWCPAPPZRIMR-UHFFFAOYSA-N 0 0 438.553 3.878 50 0 IHAARN CCCOc1ccc([C@@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000012873170 520422990 /nfs/dbraw/zinc/42/29/90/520422990.db2.gz SYJPTZGNDKNRFC-QYBDOPJKSA-N 0 0 447.535 3.675 50 0 biogenic IHAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCN2CCCCC2=O)CC1 ZINC000012431559 520457872 /nfs/dbraw/zinc/45/78/72/520457872.db2.gz WZYOHJAASCEDHS-UHFFFAOYSA-N 0 0 428.573 3.584 50 0 IHAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012456919 520458770 /nfs/dbraw/zinc/45/87/70/520458770.db2.gz DTFYBUZURYEPHJ-UHFFFAOYSA-N 0 0 439.508 3.712 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000012430946 520462036 /nfs/dbraw/zinc/46/20/36/520462036.db2.gz CFVZAPSCUYWVRJ-UHFFFAOYSA-N 0 0 431.554 3.580 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000012302673 520463667 /nfs/dbraw/zinc/46/36/67/520463667.db2.gz WGIZVYWTZVTECV-GOSISDBHSA-N 0 0 445.535 3.766 50 0 IHAARN CCCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)c1 ZINC000012291666 520468276 /nfs/dbraw/zinc/46/82/76/520468276.db2.gz IVOIDBVVNSDLPP-BBTUJRGHSA-N 0 0 436.430 3.888 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cccc(C)c2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350634 520474483 /nfs/dbraw/zinc/47/44/83/520474483.db2.gz WIBJVYSNHYZTTN-HSZRJFAPSA-N 0 0 445.523 3.780 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000012554893 520478857 /nfs/dbraw/zinc/47/88/57/520478857.db2.gz AAWRYDGRTQFZBA-HXUWFJFHSA-N 0 0 428.485 3.870 50 0 IHAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@@H](C)C3 ZINC000012906398 520495477 /nfs/dbraw/zinc/49/54/77/520495477.db2.gz WRSWIVSNKNJFMW-CABCVRRESA-N 0 0 449.642 3.722 50 0 IHAARN CCN(CC)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000020561598 520496358 /nfs/dbraw/zinc/49/63/58/520496358.db2.gz GCMMNMAHSOINKW-IBGZPJMESA-N 0 0 426.513 3.668 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991045 520509730 /nfs/dbraw/zinc/50/97/30/520509730.db2.gz KSHIIDUJMSHZSP-NRFANRHFSA-N 0 0 427.932 3.985 50 0 IHAARN CCOC(=O)C1=C(CN2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530944 520510327 /nfs/dbraw/zinc/51/03/27/520510327.db2.gz ZBQSSJLIMGTJJC-GBXCKJPGSA-N 0 0 449.551 3.746 50 0 IHAARN CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@H]1c1ccccc1 ZINC000036754251 520512124 /nfs/dbraw/zinc/51/21/24/520512124.db2.gz MDMKFNKQMPWEIM-FQEVSTJZSA-N 0 0 427.451 3.589 50 0 IHAARN CCOC(=O)C1=C(CN2CCC(C)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991733 520512314 /nfs/dbraw/zinc/51/23/14/520512314.db2.gz VFPHRAGZAWCBIP-IBGZPJMESA-N 0 0 439.478 3.951 50 0 IHAARN CC1(C)C[C@@H](NC(=O)COc2ccccc2)C[C@@](C)(CNC(=O)COc2ccccc2)C1 ZINC000012384365 520517783 /nfs/dbraw/zinc/51/77/83/520517783.db2.gz ACZFMLYUNUPEFO-FQRUVTKNSA-N 0 0 438.568 3.962 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ccc21 ZINC000022505374 520525517 /nfs/dbraw/zinc/52/55/17/520525517.db2.gz LLEHDINQPUGRSE-UHFFFAOYSA-N 0 0 433.530 3.840 50 0 IHAARN CCCCN1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021866177 520564507 /nfs/dbraw/zinc/56/45/07/520564507.db2.gz YIGGZXMLDRNYOE-DEOSSOPVSA-N 0 0 444.551 3.916 50 0 IHAARN CCCCN1C(=O)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000012419962 520564610 /nfs/dbraw/zinc/56/46/10/520564610.db2.gz NYNCGJRSZKKDLG-FQEVSTJZSA-N 0 0 432.483 3.854 50 0 IHAARN CCCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000022585443 520606401 /nfs/dbraw/zinc/60/64/01/520606401.db2.gz ZUTXWMJAEDLBPQ-UHFFFAOYSA-N 0 0 432.568 3.886 50 0 IHAARN CCCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000022784784 520618543 /nfs/dbraw/zinc/61/85/43/520618543.db2.gz CVPJOIBUMIOHBQ-VWLOTQADSA-N 0 0 432.568 3.626 50 0 IHAARN CCOC(=O)CCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000020860381 520685754 /nfs/dbraw/zinc/68/57/54/520685754.db2.gz SRXYXRGSLJQMFZ-QHCPKHFHSA-N 0 0 439.487 3.926 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)Nc3cc(C)ccc3OC)=C(C)Nc3ncnn32)ccc1O ZINC000035507637 520772092 /nfs/dbraw/zinc/77/20/92/520772092.db2.gz ZKTKDQQEFAHHJU-OAQYLSRUSA-N 0 0 435.484 3.627 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)nc3ccc(C)cc32)cc1 ZINC000023953485 520793818 /nfs/dbraw/zinc/79/38/18/520793818.db2.gz LNNRCKBDKJSYHK-UHFFFAOYSA-N 0 0 425.554 3.812 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@@H]1CC(=O)N(c3ccc(OC)c(OC)c3)C(=O)N1CC2 ZINC000021151256 520798660 /nfs/dbraw/zinc/79/86/60/520798660.db2.gz LPKFRSPEZIYCGL-SFHVURJKSA-N 0 0 440.496 3.957 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@H](C)c3ccccc3)n2C)c1 ZINC000035561039 520814957 /nfs/dbraw/zinc/81/49/57/520814957.db2.gz KBXPYBDHCIWFAU-KRWDZBQOSA-N 0 0 427.570 3.742 50 0 IHAARN CCOc1ccc(-c2noc(N3CCC(C(=O)NCc4ccc(C)o4)CC3)n2)cc1OC ZINC000035375218 520828442 /nfs/dbraw/zinc/82/84/42/520828442.db2.gz BMRNSMRZZURVGV-UHFFFAOYSA-N 0 0 440.500 3.578 50 0 IHAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CC3CCCC3)C2=O)cc1OC ZINC000012806957 520851523 /nfs/dbraw/zinc/85/15/23/520851523.db2.gz RKOUYVSXVKUVTP-UYRXBGFRSA-N 0 0 432.542 3.827 50 0 IHAARN CCCCOc1ccc(C2=NC(=CNc3nc(CC(=O)OCC)cs3)C(=O)O2)cc1 ZINC000002946961 520874149 /nfs/dbraw/zinc/87/41/49/520874149.db2.gz VSNDGKHOYOTWMN-SFQUDFHCSA-N 0 0 429.498 3.685 50 0 IHAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1OC ZINC000012605655 520920604 /nfs/dbraw/zinc/92/06/04/520920604.db2.gz KDCSRJGRUFPQKE-UHFFFAOYSA-N 0 0 447.538 3.841 50 0 IHAARN CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)nc1 ZINC000012527459 520922784 /nfs/dbraw/zinc/92/27/84/520922784.db2.gz OFQWNQYGJUGWLA-UHFFFAOYSA-N 0 0 430.574 3.663 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cn3cc(-c4ccc(C(F)(F)F)cc4)ccc3n2)CC1 ZINC000034831143 520950736 /nfs/dbraw/zinc/95/07/36/520950736.db2.gz KYVRKHVRELNENJ-UHFFFAOYSA-N 0 0 446.429 3.934 50 0 IHAARN CCOc1ccc(CCNC(=O)c2nc3ccccc3c(N3CCCC3)n2)cc1OCC ZINC000035560612 520954388 /nfs/dbraw/zinc/95/43/88/520954388.db2.gz MNQLBJBQVSLNOK-UHFFFAOYSA-N 0 0 434.540 4.000 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C(C)=O)cc4)nnc32)cc1 ZINC000017307714 521042996 /nfs/dbraw/zinc/04/29/96/521042996.db2.gz MAABOZIGVJKROK-UHFFFAOYSA-N 0 0 437.525 3.762 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948817 521086511 /nfs/dbraw/zinc/08/65/11/521086511.db2.gz NOJMTGVDXJHALK-NRFANRHFSA-N 0 0 429.467 3.528 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035946696 521086593 /nfs/dbraw/zinc/08/65/93/521086593.db2.gz XXSSSYTZXLEKHT-NRFANRHFSA-N 0 0 429.467 3.528 50 0 IHAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000012447402 521177832 /nfs/dbraw/zinc/17/78/32/521177832.db2.gz MQYKBTGKEQYUIV-JOCHJYFZSA-N 0 0 427.526 3.650 50 0 IHAARN CCOc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1OC ZINC000012781975 521228749 /nfs/dbraw/zinc/22/87/49/521228749.db2.gz ULTBZDQDFGJTHH-LJQANCHMSA-N 0 0 448.947 3.559 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000022626215 521300067 /nfs/dbraw/zinc/30/00/67/521300067.db2.gz LAAOEHWWDROFND-WMZOPIPTSA-N 0 0 444.557 3.568 50 0 IHAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)C1 ZINC000033169490 521300515 /nfs/dbraw/zinc/30/05/15/521300515.db2.gz BBNRDFUUDGBUPW-AWEZNQCLSA-N 0 0 428.601 3.761 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000020463628 521310236 /nfs/dbraw/zinc/31/02/36/521310236.db2.gz KLWFZMJGBFUAOT-UHFFFAOYSA-N 0 0 426.900 3.803 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC ZINC000024443645 521313449 /nfs/dbraw/zinc/31/34/49/521313449.db2.gz QYTGYUWEQCPGNO-UHFFFAOYSA-N 0 0 434.949 3.605 50 0 IHAARN CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)s1 ZINC000022742943 521326262 /nfs/dbraw/zinc/32/62/62/521326262.db2.gz XXELONZXLNMXKR-UHFFFAOYSA-N 0 0 449.385 3.881 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)sc2n1 ZINC000021165753 521346145 /nfs/dbraw/zinc/34/61/45/521346145.db2.gz BEMDUJBPGHIVFA-UHFFFAOYSA-N 0 0 425.558 3.575 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccccc4CC)CC3)sc2n1 ZINC000021165758 521348681 /nfs/dbraw/zinc/34/86/81/521348681.db2.gz IXZSICGNRBXPDX-UHFFFAOYSA-N 0 0 425.558 3.521 50 0 IHAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000012447404 521353239 /nfs/dbraw/zinc/35/32/39/521353239.db2.gz MQYKBTGKEQYUIV-QFIPXVFZSA-N 0 0 427.526 3.650 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccccn2)C(=O)C2CCCC2)c1C ZINC000036004402 521362530 /nfs/dbraw/zinc/36/25/30/521362530.db2.gz IKWPNKSXTFWQTO-QGZVFWFLSA-N 0 0 425.529 3.993 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)-c1c(C)c(C(=O)N3CCCC3)oc1CC2 ZINC000020510605 521363465 /nfs/dbraw/zinc/36/34/65/521363465.db2.gz AUGOGGAAEDDBAS-UHFFFAOYSA-N 0 0 446.551 3.835 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCc2ccccn2)C(=O)c2ccco2)c1C ZINC000036004278 521363886 /nfs/dbraw/zinc/36/38/86/521363886.db2.gz OPQDVAYCJSJIPX-QGZVFWFLSA-N 0 0 437.496 3.753 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3ccccc3C)n2c2ccsc2c1=O ZINC000035532033 521379876 /nfs/dbraw/zinc/37/98/76/521379876.db2.gz LZMVVVBENHRQIY-UHFFFAOYSA-N 0 0 427.555 3.945 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N2CCCC2)sc1NC(=O)Cc1ccc(OC)cc1 ZINC000016447650 521385848 /nfs/dbraw/zinc/38/58/48/521385848.db2.gz ADCSPDRLLGITPF-UHFFFAOYSA-N 0 0 430.526 3.659 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(CCCOC)C(=O)c2cccs2)c(C)n1CC ZINC000036000652 521385907 /nfs/dbraw/zinc/38/59/07/521385907.db2.gz ZGOQHWPYYUOPNY-UHFFFAOYSA-N 0 0 434.558 3.725 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)[C@@H]1CCCO1 ZINC000016400377 521387770 /nfs/dbraw/zinc/38/77/70/521387770.db2.gz BJKJKXHRRVLZJF-HNNXBMFYSA-N 0 0 432.498 3.612 50 0 IHAARN CCOC(=O)c1c2cc(OC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2oc1-c1ccccc1 ZINC000014671048 521420833 /nfs/dbraw/zinc/42/08/33/521420833.db2.gz JQKWZLYLDJNGNO-OAHLLOKOSA-N 0 0 428.462 3.617 50 0 IHAARN CCOC(=O)c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)n(C)n1 ZINC000012410691 521428423 /nfs/dbraw/zinc/42/84/23/521428423.db2.gz DSKIQGHHYKTSLH-UHFFFAOYSA-N 0 0 436.299 3.709 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=O)C1CC1 ZINC000036030188 521433562 /nfs/dbraw/zinc/43/35/62/521433562.db2.gz PWNFBINDQBFSOG-UHFFFAOYSA-N 0 0 437.993 3.925 50 0 IHAARN CCN(c1ccc(NC(=O)COC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)cc1)C(C)C ZINC000016678053 521488077 /nfs/dbraw/zinc/48/80/77/521488077.db2.gz LKAQCRVBPHDSEJ-UHFFFAOYSA-N 0 0 442.541 3.632 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2occc2C(=O)OC)cc1 ZINC000023449145 521499191 /nfs/dbraw/zinc/49/91/91/521499191.db2.gz OMRAGLBOKLVLND-UHFFFAOYSA-N 0 0 443.477 3.638 50 0 IHAARN CCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000023145326 521525738 /nfs/dbraw/zinc/52/57/38/521525738.db2.gz FYUGMOMYJUDIRE-UHFFFAOYSA-N 0 0 436.581 3.965 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(Br)c(C)c1 ZINC000012767283 521539542 /nfs/dbraw/zinc/53/95/42/521539542.db2.gz FAIWPXHCRPNODE-OAQYLSRUSA-N 0 0 442.313 3.695 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000012797535 521544002 /nfs/dbraw/zinc/54/40/02/521544002.db2.gz MHUGHTSPSYDVQX-XMMPIXPASA-N 0 0 444.535 3.618 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)NCCCn1c2ncccc2nc1C(F)(F)F ZINC000033025585 521554845 /nfs/dbraw/zinc/55/48/45/521554845.db2.gz WKSAEEVTKRMOGC-UHFFFAOYSA-N 0 0 435.406 3.839 50 0 IHAARN CCCc1nn2c(nc(CSc3nnc(-c4ccc(OCC)cc4)o3)cc2=O)s1 ZINC000021524851 521558302 /nfs/dbraw/zinc/55/83/02/521558302.db2.gz BNKGIHKNEIXRBA-UHFFFAOYSA-N 0 0 429.527 3.845 50 0 IHAARN CCOC(=O)c1cnc(SC)nc1NC(=O)Nc1ccc(Br)cc1F ZINC000020557795 521574102 /nfs/dbraw/zinc/57/41/02/521574102.db2.gz SOGSCWAOVISPBH-UHFFFAOYSA-N 0 0 429.271 3.921 50 0 IHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000023336731 521598339 /nfs/dbraw/zinc/59/83/39/521598339.db2.gz BHEYNGFNZUVGAJ-UHFFFAOYSA-N 0 0 436.487 3.525 50 0 IHAARN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1csc(C)n1)CC2 ZINC000014537843 521604352 /nfs/dbraw/zinc/60/43/52/521604352.db2.gz XVMICKOUOISLPE-UHFFFAOYSA-N 0 0 438.553 3.656 50 0 IHAARN CCOC(=O)c1noc2nc(C)n(Cc3nc(-c4ccccc4Cl)oc3C)c(=O)c12 ZINC000021648687 521606992 /nfs/dbraw/zinc/60/69/92/521606992.db2.gz FRTKHMZRKYJEEH-UHFFFAOYSA-N 0 0 428.832 3.535 50 0 IHAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)nc1-c1ccccc1 ZINC000012923202 521612015 /nfs/dbraw/zinc/61/20/15/521612015.db2.gz XITDIHDUOGZDAL-SDNWHVSQSA-N 0 0 435.505 3.998 50 0 IHAARN CCN1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)nc2Oc2ccc(OC)cc2)CC1 ZINC000035988161 521671080 /nfs/dbraw/zinc/67/10/80/521671080.db2.gz GGRPOMARXAYWAO-UHFFFAOYSA-N 0 0 448.523 3.731 50 0 IHAARN CCCN([C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036003900 521696483 /nfs/dbraw/zinc/69/64/83/521696483.db2.gz KJUMVQRBBZRLCW-KRWDZBQOSA-N 0 0 434.558 3.789 50 0 IHAARN CCCN(Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012516791 521696871 /nfs/dbraw/zinc/69/68/71/521696871.db2.gz VECGAYHHTYNVAP-QGZVFWFLSA-N 0 0 432.571 3.520 50 0 IHAARN CCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O ZINC000012652468 521701082 /nfs/dbraw/zinc/70/10/82/521701082.db2.gz ZSPNWGCIXHPEGD-PGRDOPGGSA-N 0 0 449.507 3.882 50 0 biogenic IHAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C2CCC2)c(C)n1C ZINC000036018024 521751358 /nfs/dbraw/zinc/75/13/58/521751358.db2.gz KKAZNKBLTIQZSO-MRXNPFEDSA-N 0 0 428.504 3.968 50 0 IHAARN CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)c1 ZINC000035535228 521755297 /nfs/dbraw/zinc/75/52/97/521755297.db2.gz VZPJTAOPCBXIQJ-UHFFFAOYSA-N 0 0 441.487 3.837 50 0 IHAARN CCc1ccccc1N1C(=O)c2cc(-c3ccccc3)nn2C[C@@]1(C)C(=O)NCCCOC ZINC000021855299 521853297 /nfs/dbraw/zinc/85/32/97/521853297.db2.gz BSKIMPYSRHGAMB-SANMLTNESA-N 0 0 446.551 3.684 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nc2cn(C)nc2c(=O)n1Cc1ccc(C)cc1 ZINC000033265305 521875497 /nfs/dbraw/zinc/87/54/97/521875497.db2.gz UJWYHWLIABLYLV-UHFFFAOYSA-N 0 0 447.564 3.780 50 0 IHAARN COc1cc(-c2cc(C(=O)OCc3nc(C)no3)c3ccccc3n2)cc(OC)c1OC ZINC000022892363 521895318 /nfs/dbraw/zinc/89/53/18/521895318.db2.gz WXWRGSYGKUCPRM-UHFFFAOYSA-N 0 0 435.436 3.976 50 0 IHAARN COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000253416533 521950931 /nfs/dbraw/zinc/95/09/31/521950931.db2.gz JTUWAQPSQSJEBM-DEYZYAAPSA-N 0 0 439.556 3.925 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000012549065 521986212 /nfs/dbraw/zinc/98/62/12/521986212.db2.gz WKLNGTIKDCBZSC-UHFFFAOYSA-N 0 0 441.475 3.597 50 0 IHAARN COC(=O)c1ccc(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)o1 ZINC000035598350 522008949 /nfs/dbraw/zinc/00/89/49/522008949.db2.gz ZLCDUGXWKGLMQQ-UHFFFAOYSA-N 0 0 444.535 3.782 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)cc1 ZINC000021417742 522023716 /nfs/dbraw/zinc/02/37/16/522023716.db2.gz UAUCIBPLUFMNQJ-GFCCVEGCSA-N 0 0 426.523 3.528 50 0 IHAARN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1 ZINC000012767623 522027391 /nfs/dbraw/zinc/02/73/91/522027391.db2.gz HAQMZDPDJKWFFA-IBGZPJMESA-N 0 0 447.944 3.767 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000024757810 522044590 /nfs/dbraw/zinc/04/45/90/522044590.db2.gz GRYPFWAKEKVTGW-ZWKOTPCHSA-N 0 0 447.576 3.673 50 0 IHAARN COCCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2nc1SCc1ccc(F)cc1 ZINC000033076942 522057315 /nfs/dbraw/zinc/05/73/15/522057315.db2.gz FCDBFMQDVFUOLB-UHFFFAOYSA-N 0 0 443.544 3.860 50 0 IHAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1NCCC(c1ccccc1)c1ccccc1 ZINC000022767735 522058521 /nfs/dbraw/zinc/05/85/21/522058521.db2.gz KWDCAGWSVSXWES-UHFFFAOYSA-N 0 0 428.536 3.829 50 0 IHAARN COCCn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1-c1cccc(C)c1 ZINC000012533954 522072960 /nfs/dbraw/zinc/07/29/60/522072960.db2.gz JAMHRNLGKBQBGS-UHFFFAOYSA-N 0 0 448.556 3.703 50 0 IHAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020980947 522076737 /nfs/dbraw/zinc/07/67/37/522076737.db2.gz FWOTWWXUGRAQPW-IBGZPJMESA-N 0 0 438.597 3.508 50 0 IHAARN COC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccc(C)s3)C(C(=O)OC)=C2)cc1 ZINC000001132198 522078294 /nfs/dbraw/zinc/07/82/94/522078294.db2.gz ISBSKRQFBBSVDH-UHFFFAOYSA-N 0 0 427.478 3.561 50 0 IHAARN COc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(OC)c1C ZINC000022652536 522089465 /nfs/dbraw/zinc/08/94/65/522089465.db2.gz OVQOUFAJKNTWMB-SFHVURJKSA-N 0 0 439.430 3.951 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000035684364 522112302 /nfs/dbraw/zinc/11/23/02/522112302.db2.gz PNUKAVLOMLIZSA-SFHVURJKSA-N 0 0 434.452 3.825 50 0 IHAARN COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000012342358 522118480 /nfs/dbraw/zinc/11/84/80/522118480.db2.gz VROFBBMKUZBPKP-FQEVSTJZSA-N 0 0 436.508 3.835 50 0 IHAARN COc1cc(C(=O)NCc2c(-c3ccc(C)cc3)nc3n2CCS3)cc(OC)c1OC ZINC000017051223 522122793 /nfs/dbraw/zinc/12/27/93/522122793.db2.gz NSLIOGSDWGUMRD-UHFFFAOYSA-N 0 0 439.537 3.920 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)cc1 ZINC000033275300 522124338 /nfs/dbraw/zinc/12/43/38/522124338.db2.gz CHQYMJYLGKOKOC-UHFFFAOYSA-N 0 0 431.452 3.886 50 0 IHAARN COc1cc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)cc(OC)c1Br ZINC000012507228 522135376 /nfs/dbraw/zinc/13/53/76/522135376.db2.gz JCRBKPHAVUDJDL-GOSISDBHSA-N 0 0 448.292 3.858 50 0 IHAARN COc1cc(C)c(CN2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1OC ZINC000022787224 522192283 /nfs/dbraw/zinc/19/22/83/522192283.db2.gz ZMPAQJGCEGGOFL-MOPGFXCFSA-N 0 0 443.563 3.535 50 0 IHAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000012794116 522226249 /nfs/dbraw/zinc/22/62/49/522226249.db2.gz BLSREJAALXZLSL-UHFFFAOYSA-N 0 0 434.525 3.778 50 0 IHAARN CNS(=O)(=O)c1cc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)ccc1C ZINC000012797025 522270921 /nfs/dbraw/zinc/27/09/21/522270921.db2.gz FUJJAUWIHYOWBK-UHFFFAOYSA-N 0 0 445.566 3.808 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F ZINC000020723365 522277663 /nfs/dbraw/zinc/27/76/63/522277663.db2.gz KDYMEOQJWUJJFT-IBGZPJMESA-N 0 0 430.386 3.793 50 0 IHAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2c(C)c(-c3ccc(OC)cc3)nn21 ZINC000035684870 522279644 /nfs/dbraw/zinc/27/96/44/522279644.db2.gz WCIXJIGLYYOONA-SFHVURJKSA-N 0 0 434.452 3.825 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O ZINC000015882894 522283045 /nfs/dbraw/zinc/28/30/45/522283045.db2.gz IUSDSTRZIZFPGY-UHFFFAOYSA-N 0 0 441.281 3.698 50 0 IHAARN COC(=O)c1ccsc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000016899401 522305940 /nfs/dbraw/zinc/30/59/40/522305940.db2.gz UQTSBOZZJGFHFH-LBPRGKRZSA-N 0 0 430.429 3.995 50 0 IHAARN COc1cc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C2CC2)ccc1OC(F)F ZINC000021600326 522340090 /nfs/dbraw/zinc/34/00/90/522340090.db2.gz NINOPWCYQMTFED-OAHLLOKOSA-N 0 0 448.441 3.980 50 0 IHAARN COc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1OC(F)F ZINC000024077414 522413970 /nfs/dbraw/zinc/41/39/70/522413970.db2.gz OFBFLCLTPABXSM-UHFFFAOYSA-N 0 0 427.831 3.970 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000036006149 522469165 /nfs/dbraw/zinc/46/91/65/522469165.db2.gz ITVCEHRGEYBNBZ-UHFFFAOYSA-N 0 0 430.512 3.632 50 0 IHAARN CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)Cc1ccccc1Cl ZINC000012819753 522499274 /nfs/dbraw/zinc/49/92/74/522499274.db2.gz GUGRBSSOPINIIE-UHFFFAOYSA-N 0 0 425.710 3.944 50 0 IHAARN CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(Cl)s1 ZINC000021759471 522521058 /nfs/dbraw/zinc/52/10/58/522521058.db2.gz AGGJLWVYIKGBKM-UHFFFAOYSA-N 0 0 428.841 3.559 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000012911802 522521441 /nfs/dbraw/zinc/52/14/41/522521441.db2.gz HCMYMFFQHFLXKV-UHFFFAOYSA-N 0 0 445.972 3.765 50 0 IHAARN CCc1nc2sc([C@H](c3ccc(CC)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854102 522537719 /nfs/dbraw/zinc/53/77/19/522537719.db2.gz BCOMNIWIEYXZGP-SFHVURJKSA-N 0 0 428.558 3.550 50 0 IHAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853591 522537850 /nfs/dbraw/zinc/53/78/50/522537850.db2.gz YHBAIIAKINOEQR-INIZCTEOSA-N 0 0 434.949 3.687 50 0 IHAARN COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc(OC)c1 ZINC000012715507 522652127 /nfs/dbraw/zinc/65/21/27/522652127.db2.gz XOVGVMZRBWCTLA-INIZCTEOSA-N 0 0 430.574 3.847 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000023392614 522823528 /nfs/dbraw/zinc/82/35/28/522823528.db2.gz GEIAINUIMRIDPT-UHFFFAOYSA-N 0 0 428.407 3.653 50 0 IHAARN COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000012562420 522834987 /nfs/dbraw/zinc/83/49/87/522834987.db2.gz UBVSGBUGGDYDRV-LJQANCHMSA-N 0 0 431.876 3.632 50 0 IHAARN COCc1c2ccccc2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000032983189 522902268 /nfs/dbraw/zinc/90/22/68/522902268.db2.gz AQLGXSTURGNGFD-MRXNPFEDSA-N 0 0 447.491 3.637 50 0 IHAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(I)c1O ZINC000012608714 522930264 /nfs/dbraw/zinc/93/02/64/522930264.db2.gz QJZZIIGECCIQMI-QGZVFWFLSA-N 0 0 436.249 3.734 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2N1 ZINC000021534067 522934929 /nfs/dbraw/zinc/93/49/29/522934929.db2.gz NZEXSOVABKPZRN-UHFFFAOYSA-N 0 0 433.386 3.550 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000012449393 522960001 /nfs/dbraw/zinc/96/00/01/522960001.db2.gz KGNOCNOYJKHJRY-FQEVSTJZSA-N 0 0 425.598 3.894 50 0 IHAARN COc1cc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@H](C)C4)nc3C2)cc(OC)c1OC ZINC000012407533 522961443 /nfs/dbraw/zinc/96/14/43/522961443.db2.gz GVWJAGGCRKUJBW-OWCLPIDISA-N 0 0 425.529 3.897 50 0 IHAARN COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)Nc3ccc(OC)c(Cl)c3)n2C)c(OC)c1 ZINC000020740015 522995174 /nfs/dbraw/zinc/99/51/74/522995174.db2.gz RYDLRSMAIGRWCO-LBPRGKRZSA-N 0 0 445.903 3.615 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)Nc1ccccc1F ZINC000033277988 522996692 /nfs/dbraw/zinc/99/66/92/522996692.db2.gz YAXMSOLNRUMCSM-UHFFFAOYSA-N 0 0 437.475 3.818 50 0 IHAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CN3CCOCC3)n2)cc1 ZINC000021659408 523084437 /nfs/dbraw/zinc/08/44/37/523084437.db2.gz CIJWZMCEAULDND-UHFFFAOYSA-N 0 0 438.915 3.743 50 0 IHAARN CC[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NCc1ccccc1 ZINC000023990086 523085354 /nfs/dbraw/zinc/08/53/54/523085354.db2.gz HMVRDFOBZRTHGU-OAQYLSRUSA-N 0 0 436.581 3.649 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)no2)cc1 ZINC000021807518 523098467 /nfs/dbraw/zinc/09/84/67/523098467.db2.gz NLJMDTMPNSOHLF-NRFANRHFSA-N 0 0 441.915 3.807 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1cccc(Br)c1 ZINC000020978256 523108806 /nfs/dbraw/zinc/10/88/06/523108806.db2.gz VUGXZPCDHBJPQJ-UHFFFAOYSA-N 0 0 437.315 3.900 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(F)cc2)c(C)n3C)cc1 ZINC000035448810 523122000 /nfs/dbraw/zinc/12/20/00/523122000.db2.gz CYYOHEKREKPRJA-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697028 523141685 /nfs/dbraw/zinc/14/16/85/523141685.db2.gz RWLVUMOERYQRNW-QHCPKHFHSA-N 0 0 438.959 3.842 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000035685355 523153572 /nfs/dbraw/zinc/15/35/72/523153572.db2.gz RAVCLURBVFUJML-GOSISDBHSA-N 0 0 449.467 3.697 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC)cc3)n2)cc1 ZINC000015670205 523156472 /nfs/dbraw/zinc/15/64/72/523156472.db2.gz MKUJGUGUEDPCHL-LJQANCHMSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1OC ZINC000012885631 523167522 /nfs/dbraw/zinc/16/75/22/523167522.db2.gz WOKADCZICVFULW-UHFFFAOYSA-N 0 0 439.493 3.582 50 0 IHAARN COc1ccc(-c2csc3nc(C)nc(N4CCN(c5cnccn5)CC4)c23)cc1OC ZINC000012779814 523172833 /nfs/dbraw/zinc/17/28/33/523172833.db2.gz DZPSDBCCLRZVSH-UHFFFAOYSA-N 0 0 448.552 3.801 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012125120 523189294 /nfs/dbraw/zinc/18/92/94/523189294.db2.gz TZVDRCWMPCSWJI-IRXDYDNUSA-N 0 0 441.601 3.659 50 0 IHAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)cc1OC ZINC000021589795 523194333 /nfs/dbraw/zinc/19/43/33/523194333.db2.gz KAJJVXRSEVOGBV-UHFFFAOYSA-N 0 0 440.525 3.620 50 0 IHAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)n3nc(-c4ccccc4)ccc3=O)cs2)cc1 ZINC000042381012 523209303 /nfs/dbraw/zinc/20/93/03/523209303.db2.gz UJRVZQCJRICYGJ-INIZCTEOSA-N 0 0 446.532 3.920 50 0 IHAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(NC2CCC(NC(=O)C(C)C)CC2)n1 ZINC000036001972 523215186 /nfs/dbraw/zinc/21/51/86/523215186.db2.gz KBBPAFKMWLINHH-UHFFFAOYSA-N 0 0 436.560 3.766 50 0 IHAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NCCNC(=O)c2ccc(F)cc2)n1 ZINC000036024906 523215248 /nfs/dbraw/zinc/21/52/48/523215248.db2.gz QAMRIJODUGKBMF-UHFFFAOYSA-N 0 0 448.502 3.560 50 0 IHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O ZINC000014881504 523216214 /nfs/dbraw/zinc/21/62/14/523216214.db2.gz WTZMXHFTCCXCPV-NRFANRHFSA-N 0 0 436.405 3.520 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000012630793 523230311 /nfs/dbraw/zinc/23/03/11/523230311.db2.gz XCEJDLMDEWTURM-AWEZNQCLSA-N 0 0 427.505 3.659 50 0 IHAARN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccc(F)cc1 ZINC000035843561 523236690 /nfs/dbraw/zinc/23/66/90/523236690.db2.gz CPOKUSLAPHPVMX-HSZRJFAPSA-N 0 0 432.561 3.947 50 0 IHAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCCCO[C@H](C)c2ccccc2)cc1 ZINC000012753175 523257035 /nfs/dbraw/zinc/25/70/35/523257035.db2.gz HAABBILDFJZZFM-MRXNPFEDSA-N 0 0 426.542 3.527 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c1=O ZINC000022583458 523283001 /nfs/dbraw/zinc/28/30/01/523283001.db2.gz LJSCRNTVURLPII-UHFFFAOYSA-N 0 0 436.581 3.671 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021864406 523292257 /nfs/dbraw/zinc/29/22/57/523292257.db2.gz YKPLGEKSOMJJSH-XMMPIXPASA-N 0 0 427.545 3.838 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000020945533 523360690 /nfs/dbraw/zinc/36/06/90/523360690.db2.gz LWPWIQGMWCQIPO-SFHVURJKSA-N 0 0 441.459 3.555 50 0 IHAARN COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)cc1OC ZINC000035596719 523432307 /nfs/dbraw/zinc/43/23/07/523432307.db2.gz BSCDDMOLKPHVFY-UITAMQMPSA-N 0 0 438.553 3.717 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738992 523434288 /nfs/dbraw/zinc/43/42/88/523434288.db2.gz WYBMIYXDRBVROH-DHIUTWEWSA-N 0 0 442.537 3.607 50 0 IHAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000012706068 523471670 /nfs/dbraw/zinc/47/16/70/523471670.db2.gz CWZKGDIFKFYGIE-ZRZCPFIBSA-N 0 0 438.480 3.600 50 0 IHAARN COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000033024148 523492819 /nfs/dbraw/zinc/49/28/19/523492819.db2.gz QRGHLDDLDYQVKT-HNNXBMFYSA-N 0 0 448.313 3.719 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2cc3c(c(Cl)c2)OCO3)cc1Br ZINC000021461508 523588397 /nfs/dbraw/zinc/58/83/97/523588397.db2.gz QMFFOQHOZQLLKU-UHFFFAOYSA-N 0 0 427.634 3.880 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)cc2NC1=O ZINC000020762224 523609449 /nfs/dbraw/zinc/60/94/49/523609449.db2.gz IUYCKDJNTCKOJN-SFHVURJKSA-N 0 0 446.550 3.515 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCc2ccccc2)cc1 ZINC000012655409 523619091 /nfs/dbraw/zinc/61/90/91/523619091.db2.gz WWJQXIAEFILIDF-JCMHNJIXSA-N 0 0 444.487 3.554 50 0 IHAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)CCc3ccco3)CC2)c1 ZINC000012299353 523629256 /nfs/dbraw/zinc/62/92/56/523629256.db2.gz WMVQDQYIPHDHNZ-UHFFFAOYSA-N 0 0 426.513 3.527 50 0 IHAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000020486780 523637437 /nfs/dbraw/zinc/63/74/37/523637437.db2.gz IVEGUZXTYRTUOP-KPKJPENVSA-N 0 0 434.930 3.669 50 0 IHAARN CN(c1ccc(OC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000032991093 523639397 /nfs/dbraw/zinc/63/93/97/523639397.db2.gz BWMGWIGWYNEPNE-NRFANRHFSA-N 0 0 437.473 3.719 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(C)ncc3Cc3ccccc3)C2)c(OC)n1 ZINC000012028801 523641472 /nfs/dbraw/zinc/64/14/72/523641472.db2.gz ZHTVWNWNIBPPFL-IBGZPJMESA-N 0 0 432.524 3.808 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F)C(=O)C(C)C ZINC000035946691 523651043 /nfs/dbraw/zinc/65/10/43/523651043.db2.gz GEJSPXJWEBPJRP-JOCHJYFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000036002290 523691515 /nfs/dbraw/zinc/69/15/15/523691515.db2.gz ZOTFTHKXUPPNIT-UHFFFAOYSA-N 0 0 439.487 3.584 50 0 IHAARN CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=S)Nc1cccc(Cl)c1)CC2 ZINC000036027087 523723436 /nfs/dbraw/zinc/72/34/36/523723436.db2.gz QAIDZNJMAPQWBR-LJQANCHMSA-N 0 0 428.989 3.502 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1S(=O)(=O)N(C)C ZINC000012620182 523729145 /nfs/dbraw/zinc/72/91/45/523729145.db2.gz AFUAMJIQEJMENQ-OAHLLOKOSA-N 0 0 440.974 3.566 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1=O ZINC000012553631 523747793 /nfs/dbraw/zinc/74/77/93/523747793.db2.gz PJTUQKNQZZWMDK-VWLOTQADSA-N 0 0 439.475 3.528 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2c3ccccc3Oc3ccccc32)C1=O ZINC000013114220 523747907 /nfs/dbraw/zinc/74/79/07/523747907.db2.gz ILXKMEWPKVLLRJ-VWLOTQADSA-N 0 0 427.460 3.813 50 0 IHAARN COc1ccc(C(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)cc1 ZINC000035707573 523756514 /nfs/dbraw/zinc/75/65/14/523756514.db2.gz AHCDDQXWRXDRHU-NRFANRHFSA-N 0 0 437.496 3.869 50 0 IHAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)ccc21 ZINC000015863235 523761714 /nfs/dbraw/zinc/76/17/14/523761714.db2.gz NTKVNPAMTWFQRZ-UHFFFAOYSA-N 0 0 425.920 3.904 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000012883834 523776265 /nfs/dbraw/zinc/77/62/65/523776265.db2.gz ZIDWJLSEUPFFAP-UHFFFAOYSA-N 0 0 448.548 3.573 50 0 IHAARN CC[C@H](C(=O)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O)c1ccccc1 ZINC000012071471 523779158 /nfs/dbraw/zinc/77/91/58/523779158.db2.gz OJXCLHOFRQTJRR-FQEVSTJZSA-N 0 0 449.942 3.605 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000020579648 523781872 /nfs/dbraw/zinc/78/18/72/523781872.db2.gz RSMBHNWUYYIKMU-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000012751472 523790698 /nfs/dbraw/zinc/79/06/98/523790698.db2.gz VDJCVAUKQJYDSF-UHFFFAOYSA-N 0 0 447.329 3.608 50 0 IHAARN COc1ccc(C)cc1CN(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012813089 523808126 /nfs/dbraw/zinc/80/81/26/523808126.db2.gz DOYUMUHJWHPHJV-UHFFFAOYSA-N 0 0 425.554 3.703 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1 ZINC000033312846 523824467 /nfs/dbraw/zinc/82/44/67/523824467.db2.gz OHIPETAITUBKSY-VWLOTQADSA-N 0 0 435.568 3.800 50 0 IHAARN COc1ccc(C)cc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000035595049 523833316 /nfs/dbraw/zinc/83/33/16/523833316.db2.gz POIPWZMITMKOMM-UHFFFAOYSA-N 0 0 438.528 3.684 50 0 IHAARN CCc1cc2c(ncnc2N2CCC(C(=O)NCc3ccc(OC)cc3OC)CC2)s1 ZINC000021716364 523848218 /nfs/dbraw/zinc/84/82/18/523848218.db2.gz DQRWLQNCJCXDJI-UHFFFAOYSA-N 0 0 440.569 3.804 50 0 IHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000012917425 523851478 /nfs/dbraw/zinc/85/14/78/523851478.db2.gz ZMXMQXYFQAJCSP-QGZVFWFLSA-N 0 0 426.538 3.703 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(CCC(=O)OC)c1ccccc1 ZINC000020978853 523854351 /nfs/dbraw/zinc/85/43/51/523854351.db2.gz UUVPCRFBZJWVRC-UHFFFAOYSA-N 0 0 428.510 3.971 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000035947592 523875132 /nfs/dbraw/zinc/87/51/32/523875132.db2.gz DBSQAMYFHCIOQF-OAQYLSRUSA-N 0 0 435.455 3.877 50 0 IHAARN COC(=O)[C@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2c(C)c(OC)ccc12 ZINC000012898870 523892053 /nfs/dbraw/zinc/89/20/53/523892053.db2.gz COHASGAPJGYRNE-QGZVFWFLSA-N 0 0 440.448 3.657 50 0 biogenic IHAARN COc1ccc(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1OC ZINC000022605148 523894243 /nfs/dbraw/zinc/89/42/43/523894243.db2.gz FUIQNRHAMVYGTN-UHFFFAOYSA-N 0 0 437.565 3.714 50 0 IHAARN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC000012278399 523955927 /nfs/dbraw/zinc/95/59/27/523955927.db2.gz BKQLOWCZRANMED-QHCPKHFHSA-N 0 0 449.576 3.617 50 0 IHAARN COc1ccc(CCNC(=O)COc2cccc3ccc(N4CCCC4)nc32)cc1OC ZINC000016959836 523959987 /nfs/dbraw/zinc/95/99/87/523959987.db2.gz PHXAFOIXEDSPRR-UHFFFAOYSA-N 0 0 435.524 3.590 50 0 IHAARN CCc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020581515 523962969 /nfs/dbraw/zinc/96/29/69/523962969.db2.gz ZPUATEUBZLICQA-RBUKOAKNSA-N 0 0 438.471 3.876 50 0 IHAARN CCc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)cc1 ZINC000021449833 523964831 /nfs/dbraw/zinc/96/48/31/523964831.db2.gz GORRPWYMQNHGOG-SFHVURJKSA-N 0 0 445.485 3.970 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc3c4c(C)c(C(=O)OC)sc4ncn23)cc1 ZINC000021658514 523975253 /nfs/dbraw/zinc/97/52/53/523975253.db2.gz AJVFGKBHVGFSHO-UHFFFAOYSA-N 0 0 441.538 3.727 50 0 IHAARN COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(-n4cnnn4)cc3)c2C)cc1 ZINC000012770967 523986544 /nfs/dbraw/zinc/98/65/44/523986544.db2.gz FYNSIDHZAUMAIS-UHFFFAOYSA-N 0 0 431.496 3.594 50 0 IHAARN CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012808078 523991544 /nfs/dbraw/zinc/99/15/44/523991544.db2.gz BOWUPNWPWMRZNS-SFHVURJKSA-N 0 0 438.553 3.791 50 0 IHAARN CCc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1 ZINC000021522983 523992021 /nfs/dbraw/zinc/99/20/21/523992021.db2.gz MVAYAFUOJXLLST-UHFFFAOYSA-N 0 0 431.536 3.946 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2cccnc2)C(=O)c2ccc(F)cc2)c1C ZINC000036005087 524023127 /nfs/dbraw/zinc/02/31/27/524023127.db2.gz YMJQTCNRNKWOBU-INIZCTEOSA-N 0 0 437.471 3.866 50 0 IHAARN CN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)c1 ZINC000021561466 524029845 /nfs/dbraw/zinc/02/98/45/524029845.db2.gz UAKCJGSLBYHGIO-UHFFFAOYSA-N 0 0 434.370 3.531 50 0 IHAARN COc1ccc(CN2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 ZINC000022810277 524031545 /nfs/dbraw/zinc/03/15/45/524031545.db2.gz NHOICLAGYRZMSI-IBGZPJMESA-N 0 0 425.598 3.730 50 0 IHAARN COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)CCC(C)C)CC2 ZINC000012040507 524037987 /nfs/dbraw/zinc/03/79/87/524037987.db2.gz IMBSTWHKTQRJLN-RPWUZVMVSA-N 0 0 444.616 3.842 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(CSC)o1 ZINC000012872503 524043276 /nfs/dbraw/zinc/04/32/76/524043276.db2.gz OXMUYBCKTJWCIL-UHFFFAOYSA-N 0 0 437.465 3.707 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000035531453 524045421 /nfs/dbraw/zinc/04/54/21/524045421.db2.gz LDYUYIIBMIBUJW-UHFFFAOYSA-N 0 0 444.597 3.926 50 0 IHAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000035561901 524047127 /nfs/dbraw/zinc/04/71/27/524047127.db2.gz DCMAWKNFBXHKDD-UHFFFAOYSA-N 0 0 435.524 3.744 50 0 IHAARN COc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c(OC)c1 ZINC000015735980 524047499 /nfs/dbraw/zinc/04/74/99/524047499.db2.gz GRIGKVMHTXQQAZ-UHFFFAOYSA-N 0 0 447.539 3.953 50 0 IHAARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n21 ZINC000021537312 524091048 /nfs/dbraw/zinc/09/10/48/524091048.db2.gz GLUPNIJTVXLEID-OAHLLOKOSA-N 0 0 439.585 3.875 50 0 IHAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)c2c1 ZINC000032996680 524104010 /nfs/dbraw/zinc/10/40/10/524104010.db2.gz ZBFNGTBUVOIFRZ-UHFFFAOYSA-N 0 0 444.354 3.965 50 0 IHAARN CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000012688186 524109478 /nfs/dbraw/zinc/10/94/78/524109478.db2.gz MMSTXABAMLUBHO-SFHVURJKSA-N 0 0 439.737 3.793 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)c(C)c4)n3n2)c1 ZINC000017135552 524120609 /nfs/dbraw/zinc/12/06/09/524120609.db2.gz OAKQUUGXECQOJA-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)c1 ZINC000012342325 524126791 /nfs/dbraw/zinc/12/67/91/524126791.db2.gz UZKZKZTWRSVVDY-UHFFFAOYSA-N 0 0 433.493 3.826 50 0 IHAARN Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1 ZINC000022934062 524127272 /nfs/dbraw/zinc/12/72/72/524127272.db2.gz SELOPKHSURWJQI-FQEVSTJZSA-N 0 0 433.556 3.979 50 0 IHAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccc4c(c3)OCO4)C2=O)c1 ZINC000020735465 524153561 /nfs/dbraw/zinc/15/35/61/524153561.db2.gz ULAXQZUJGNGVKW-WYMPLXKRSA-N 0 0 442.471 3.807 50 0 IHAARN COc1ccc(C[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2ccc(OC)cc2)cc1 ZINC000022099256 524155683 /nfs/dbraw/zinc/15/56/83/524155683.db2.gz OONRMBZHZQNVCD-DEOSSOPVSA-N 0 0 447.535 3.649 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@@H]24)O3)c1 ZINC000012896345 524156693 /nfs/dbraw/zinc/15/66/93/524156693.db2.gz SAAFBYYGEPQXBF-JPYYHWIRSA-N 0 0 441.531 3.748 50 0 biogenic IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O ZINC000022283669 524182624 /nfs/dbraw/zinc/18/26/24/524182624.db2.gz MKBRMXLSXVLYMV-MYYSRTQBSA-N 0 0 432.480 3.934 50 0 IHAARN COc1cccc([C@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928098 524187472 /nfs/dbraw/zinc/18/74/72/524187472.db2.gz JURXNDJWBNKHTC-ZEQRLZLVSA-N 0 0 427.504 3.850 50 0 IHAARN Cc1ccc(C)n1-c1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N2CCOCC2)CC1 ZINC000021102683 524216181 /nfs/dbraw/zinc/21/61/81/524216181.db2.gz SRLIKNTUZITUGB-UHFFFAOYSA-N 0 0 447.583 3.663 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 ZINC000021940966 524220135 /nfs/dbraw/zinc/22/01/35/524220135.db2.gz NQFRNBXFBCMNIC-UHFFFAOYSA-N 0 0 439.903 3.625 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947811 524231091 /nfs/dbraw/zinc/23/10/91/524231091.db2.gz LBZBUYAOLHIVMM-NRFANRHFSA-N 0 0 433.508 3.578 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000016489767 524247580 /nfs/dbraw/zinc/24/75/80/524247580.db2.gz VIRBDKYGBMBIGU-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1cccc(F)c1)c(C)n2C ZINC000035448334 524269895 /nfs/dbraw/zinc/26/98/95/524269895.db2.gz CYKBLBLLMLLOOZ-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016624783 524272384 /nfs/dbraw/zinc/27/23/84/524272384.db2.gz OCICRLISQIAORQ-UHFFFAOYSA-N 0 0 429.369 3.954 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000022915629 524275582 /nfs/dbraw/zinc/27/55/82/524275582.db2.gz YKPDSWREEOGJKX-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000012586490 524288402 /nfs/dbraw/zinc/28/84/02/524288402.db2.gz IGNYINFSYXSBFR-CALCHBBNSA-N 0 0 438.553 3.671 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)c(C)c1 ZINC000033261782 524291864 /nfs/dbraw/zinc/29/18/64/524291864.db2.gz VPQIXUBWZBCZEA-UHFFFAOYSA-N 0 0 437.500 3.745 50 0 IHAARN Cc1ccc(CCC2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000012772039 524304479 /nfs/dbraw/zinc/30/44/79/524304479.db2.gz KNTDLKQAJJDWCZ-UHFFFAOYSA-N 0 0 429.586 3.593 50 0 IHAARN COc1ccccc1-n1cnn(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=S ZINC000012565344 524306162 /nfs/dbraw/zinc/30/61/62/524306162.db2.gz RSHZRUJHTGGTCR-UHFFFAOYSA-N 0 0 441.532 3.533 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@H]1C ZINC000239308774 524306240 /nfs/dbraw/zinc/30/62/40/524306240.db2.gz GYTPPXNQJJLVLY-DVOMOZLQSA-N 0 0 437.949 3.966 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2nc(C)ccc2c1=O ZINC000021151523 524361886 /nfs/dbraw/zinc/36/18/86/524361886.db2.gz HNMIMGTUMSYSGP-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN C[C@@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000020930741 524385774 /nfs/dbraw/zinc/38/57/74/524385774.db2.gz QTAKMUNPCSHZAK-NWDGAFQWSA-N 0 0 438.958 3.964 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000016448660 524393028 /nfs/dbraw/zinc/39/30/28/524393028.db2.gz RUFNCZCAAAWVEP-KRWDZBQOSA-N 0 0 436.892 3.882 50 0 IHAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)o1 ZINC000021862447 524433596 /nfs/dbraw/zinc/43/35/96/524433596.db2.gz DCBWEEYYECZFGK-VWLOTQADSA-N 0 0 428.492 3.669 50 0 IHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)Cc3cccs3)cs2)c1 ZINC000034905430 524454006 /nfs/dbraw/zinc/45/40/06/524454006.db2.gz DUGKTLZPMNWGSA-UHFFFAOYSA-N 0 0 443.594 3.879 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 ZINC000012688444 524489536 /nfs/dbraw/zinc/48/95/36/524489536.db2.gz WFCPXLVQWSBJBS-QHCPKHFHSA-N 0 0 444.487 3.860 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000012860468 524494695 /nfs/dbraw/zinc/49/46/95/524494695.db2.gz BVNRRQKOVUQHSQ-OPXMRZJTSA-N 0 0 438.524 3.731 50 0 biogenic IHAARN Cc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)o1 ZINC000033262360 524499161 /nfs/dbraw/zinc/49/91/61/524499161.db2.gz XBMGPCKKUWCEHX-UHFFFAOYSA-N 0 0 428.496 3.811 50 0 IHAARN Cc1ccc(CNC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000022767967 524513432 /nfs/dbraw/zinc/51/34/32/524513432.db2.gz IEKNFDJDNZDHTB-UHFFFAOYSA-N 0 0 447.926 3.738 50 0 IHAARN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000012525831 524534914 /nfs/dbraw/zinc/53/49/14/524534914.db2.gz PTBQMCBFBXDFKU-KBPBESRZSA-N 0 0 442.459 3.756 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885252 524540040 /nfs/dbraw/zinc/54/00/40/524540040.db2.gz ZVMQBYFHYXKKTO-HXUWFJFHSA-N 0 0 430.508 3.982 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)o2)c1C ZINC000022766734 524589048 /nfs/dbraw/zinc/58/90/48/524589048.db2.gz JICNVSMHFYFPAP-OAHLLOKOSA-N 0 0 435.318 3.919 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000012733590 524596828 /nfs/dbraw/zinc/59/68/28/524596828.db2.gz WBGGVJIFLVGPHI-LBPRGKRZSA-N 0 0 435.354 3.855 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCC(C)CC2)c2ccccc21 ZINC000020570033 524603966 /nfs/dbraw/zinc/60/39/66/524603966.db2.gz XOMSFYUQFRBPKK-UHFFFAOYSA-N 0 0 433.508 3.521 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C)n4)c3)C2)cc1Cl ZINC000021885071 524610800 /nfs/dbraw/zinc/61/08/00/524610800.db2.gz IFRSTOMQTWGECH-AWEZNQCLSA-N 0 0 426.860 3.699 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C(C)C)n1 ZINC000016654831 524650653 /nfs/dbraw/zinc/65/06/53/524650653.db2.gz PHJSTHAJYSNVLJ-UHFFFAOYSA-N 0 0 449.540 3.789 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)c1ccoc1 ZINC000034706604 524675905 /nfs/dbraw/zinc/67/59/05/524675905.db2.gz PXKKDYBVOOSIEG-HNNXBMFYSA-N 0 0 444.520 3.950 50 0 IHAARN Cc1ccc(Cl)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1Cl ZINC000012877358 524702030 /nfs/dbraw/zinc/70/20/30/524702030.db2.gz JNSMGJYHKXQXBB-ZDUSSCGKSA-N 0 0 431.341 3.523 50 0 IHAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N(C)CCc4ccccn4)c23)C1 ZINC000012544149 524725189 /nfs/dbraw/zinc/72/51/89/524725189.db2.gz JRPRBCVIKNBHIY-QGZVFWFLSA-N 0 0 437.613 3.722 50 0 IHAARN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000048373934 524793946 /nfs/dbraw/zinc/79/39/46/524793946.db2.gz GEXOQDRZQQLCSC-SFHVURJKSA-N 0 0 444.475 3.709 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c1 ZINC000021540252 524829646 /nfs/dbraw/zinc/82/96/46/524829646.db2.gz NYYXSNNGLWJUBJ-UHFFFAOYSA-N 0 0 435.505 3.527 50 0 IHAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCCC[C@H]3c3ccccn3)o2)c1 ZINC000012434875 524841168 /nfs/dbraw/zinc/84/11/68/524841168.db2.gz DISPYEQNOBYSAL-FQEVSTJZSA-N 0 0 436.512 3.759 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)c1 ZINC000035142613 524890281 /nfs/dbraw/zinc/89/02/81/524890281.db2.gz WISALHFSXILQHL-INIZCTEOSA-N 0 0 444.281 3.798 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045304 524897093 /nfs/dbraw/zinc/89/70/93/524897093.db2.gz DFURZOAQNUCNNI-ZEQRLZLVSA-N 0 0 444.531 3.876 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3C(=O)Oc4ccc(Br)cc4[C@H]3C(C)(C)C2=O)cc1 ZINC000012447772 524926073 /nfs/dbraw/zinc/92/60/73/524926073.db2.gz DJDXMIVSCGGMBJ-IAGOWNOFSA-N 0 0 428.282 3.976 50 0 IHAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(F)ccc4[nH]3)n2C)cc1 ZINC000033067721 524979425 /nfs/dbraw/zinc/97/94/25/524979425.db2.gz PWPPGRQWEYTNRS-UHFFFAOYSA-N 0 0 426.473 3.676 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)NC1CCCCC1 ZINC000009749773 524997936 /nfs/dbraw/zinc/99/79/36/524997936.db2.gz APVWULVEZMNDID-LJQANCHMSA-N 0 0 425.570 3.699 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000017011426 524999998 /nfs/dbraw/zinc/99/99/98/524999998.db2.gz DNUILCJAVDYDJQ-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCCCc1ccco1)c(C)n2C ZINC000035448789 525004187 /nfs/dbraw/zinc/00/41/87/525004187.db2.gz OFDXGRCWXRJYAD-UHFFFAOYSA-N 0 0 432.524 3.591 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccccc2)cc1 ZINC000001142435 525011935 /nfs/dbraw/zinc/01/19/35/525011935.db2.gz QXGJAMKPBQWVEV-UHFFFAOYSA-N 0 0 446.475 3.803 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccc(Cl)cc3)n2n1 ZINC000020604295 525013294 /nfs/dbraw/zinc/01/32/94/525013294.db2.gz FLQOMWZOYJKLKJ-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3cccc(Cl)c3)n2n1 ZINC000017136112 525013353 /nfs/dbraw/zinc/01/33/53/525013353.db2.gz HKCPKKSZPKBULG-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN Cc1ccccc1-c1nnc(SCc2noc(CCC(=O)Nc3nccs3)n2)o1 ZINC000021721530 525017109 /nfs/dbraw/zinc/01/71/09/525017109.db2.gz FMVOTEOMCBQNDF-UHFFFAOYSA-N 0 0 428.499 3.748 50 0 IHAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(Br)cc2)cc1 ZINC000017042050 525021977 /nfs/dbraw/zinc/02/19/77/525021977.db2.gz UYECYIFBNFPZAS-KRWDZBQOSA-N 0 0 425.290 3.672 50 0 IHAARN Cc1ccccc1-n1c2ncn(CC(=O)c3ccc(Cl)cc3)c2c(=O)n(C2CC2)c1=O ZINC000034693365 525027113 /nfs/dbraw/zinc/02/71/13/525027113.db2.gz KYPFYHYWLSSBIY-UHFFFAOYSA-N 0 0 434.883 3.529 50 0 IHAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)N1CCc3ccccc31)nc2C(C)C ZINC000012229055 525033399 /nfs/dbraw/zinc/03/33/99/525033399.db2.gz POQBAQOZWRGAEG-UHFFFAOYSA-N 0 0 427.508 3.603 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000001073064 525039546 /nfs/dbraw/zinc/03/95/46/525039546.db2.gz XJWWZABWCPGZSM-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 ZINC000022908298 525043282 /nfs/dbraw/zinc/04/32/82/525043282.db2.gz OWLAWQJLNWHFKW-GCJKJVERSA-N 0 0 433.577 3.841 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000012862404 525045264 /nfs/dbraw/zinc/04/52/64/525045264.db2.gz OECHSYXWHLDOOR-IBGZPJMESA-N 0 0 434.536 3.758 50 0 IHAARN Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000021588866 525055083 /nfs/dbraw/zinc/05/50/83/525055083.db2.gz TXZRUGRMFVNKDN-UHFFFAOYSA-N 0 0 429.520 3.726 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000033122581 525055321 /nfs/dbraw/zinc/05/53/21/525055321.db2.gz LAXNUZZSJQDNLR-UHFFFAOYSA-N 0 0 437.949 3.632 50 0 IHAARN C[C@@H]1CN([C@H](CNC(=O)C2=NO[C@@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 ZINC000252458357 525059653 /nfs/dbraw/zinc/05/96/53/525059653.db2.gz BTDBEUWKXACCRQ-IPHXSNPTSA-N 0 0 445.922 3.875 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1F ZINC000012790927 525069229 /nfs/dbraw/zinc/06/92/29/525069229.db2.gz IWBHKYORUUQHAL-WSYSLRRZSA-N 0 0 434.508 3.855 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)c(F)c1 ZINC000012920264 525071586 /nfs/dbraw/zinc/07/15/86/525071586.db2.gz IBZCYWYBSKWIOZ-OAHLLOKOSA-N 0 0 448.535 3.732 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)C1CCC1 ZINC000034706556 525074690 /nfs/dbraw/zinc/07/46/90/525074690.db2.gz XDGPAEIHIRUYHD-OAHLLOKOSA-N 0 0 432.553 3.843 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1F ZINC000035532906 525084275 /nfs/dbraw/zinc/08/42/75/525084275.db2.gz HNXSXGMRMFUZHZ-UHFFFAOYSA-N 0 0 435.575 3.818 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2C)c2cccs2)cc1 ZINC000017136054 525092998 /nfs/dbraw/zinc/09/29/98/525092998.db2.gz UONJPFHMZKHPJN-OAQYLSRUSA-N 0 0 445.562 3.775 50 0 IHAARN C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000016685002 525120655 /nfs/dbraw/zinc/12/06/55/525120655.db2.gz YJBLTFAJTHRAGD-QGZVFWFLSA-N 0 0 432.476 3.966 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CN2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000035404629 525134461 /nfs/dbraw/zinc/13/44/61/525134461.db2.gz VQNJMSKQCSHBKF-GOSISDBHSA-N 0 0 434.515 3.987 50 0 IHAARN Cc1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1 ZINC000020531669 525150062 /nfs/dbraw/zinc/15/00/62/525150062.db2.gz VLSFTOTXPSKERZ-UHFFFAOYSA-N 0 0 432.436 3.720 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000012793194 525171980 /nfs/dbraw/zinc/17/19/80/525171980.db2.gz NMXQLJJWUHVBTR-UHFFFAOYSA-N 0 0 427.295 3.553 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021535820 525197799 /nfs/dbraw/zinc/19/77/99/525197799.db2.gz CAZATPOTIFWLDC-OAQYLSRUSA-N 0 0 443.569 3.602 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccco1 ZINC000021851552 525201765 /nfs/dbraw/zinc/20/17/65/525201765.db2.gz UQLPLKDPSWFIKC-XMMPIXPASA-N 0 0 436.512 3.990 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)ccc1Br ZINC000012662080 525215803 /nfs/dbraw/zinc/21/58/03/525215803.db2.gz AKWHVGTZAXRADV-LPHOPBHVSA-N 0 0 429.270 3.556 50 0 biogenic IHAARN Cc1ccccc1N1CCN(C(=O)c2c(=O)cc(C)n(C)c2Cc2ccccc2F)CC1 ZINC000012152921 525223668 /nfs/dbraw/zinc/22/36/68/525223668.db2.gz DQVHQVFOCBGBGF-UHFFFAOYSA-N 0 0 433.527 3.694 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000022395523 525242891 /nfs/dbraw/zinc/24/28/91/525242891.db2.gz QMIBQRWDMFINTD-UHFFFAOYSA-N 0 0 444.553 3.973 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 ZINC000012767701 525335710 /nfs/dbraw/zinc/33/57/10/525335710.db2.gz PXOPINKFSWDPOL-GFCCVEGCSA-N 0 0 427.428 3.833 50 0 IHAARN COc1ccc([C@H](CNC(=O)CCC(=O)c2cc(C)sc2C)N2CCOCC2)cc1 ZINC000012686612 525353983 /nfs/dbraw/zinc/35/39/83/525353983.db2.gz KJNKOPYFXGONSV-NRFANRHFSA-N 0 0 430.570 3.526 50 0 IHAARN COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 ZINC000009516212 525369829 /nfs/dbraw/zinc/36/98/29/525369829.db2.gz MRMBWUIAQIIDBW-JYFHCDHNSA-N 0 0 428.532 3.992 50 0 IHAARN Cc1cc(OC[C@@H]2CN(C(=O)c3cccc(Br)n3)CCO2)ccc1Cl ZINC000022628868 525374504 /nfs/dbraw/zinc/37/45/04/525374504.db2.gz FDAVHQJRQJPAIU-AWEZNQCLSA-N 0 0 425.710 3.726 50 0 IHAARN Cc1nc(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)[nH]c1Cc1ccccc1 ZINC000012506376 525412767 /nfs/dbraw/zinc/41/27/67/525412767.db2.gz VAJCBGYLTFHHQC-UHFFFAOYSA-N 0 0 434.565 3.844 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061983 525421845 /nfs/dbraw/zinc/42/18/45/525421845.db2.gz BSVTXRGSUPSYLK-YADHBBJMSA-N 0 0 442.531 3.861 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059730 525422587 /nfs/dbraw/zinc/42/25/87/525422587.db2.gz RBZIIQFVSVQXKF-RTWAWAEBSA-N 0 0 444.959 3.985 50 0 IHAARN COc1ccc([C@H]2CSCCN2C(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000020745057 525422659 /nfs/dbraw/zinc/42/26/59/525422659.db2.gz LHSMXYQONQTGDL-OAQYLSRUSA-N 0 0 439.533 3.978 50 0 IHAARN Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 ZINC000009888521 525423624 /nfs/dbraw/zinc/42/36/24/525423624.db2.gz XZPNYODIWVGTHH-UHFFFAOYSA-N 0 0 436.961 3.550 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000035447911 525432840 /nfs/dbraw/zinc/43/28/40/525432840.db2.gz XFAGUIZRNZQHRE-UHFFFAOYSA-N 0 0 433.468 3.784 50 0 IHAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCc2ccco2)cc1 ZINC000020939085 525441087 /nfs/dbraw/zinc/44/10/87/525441087.db2.gz BREUXNULCLKYOS-DEOSSOPVSA-N 0 0 443.503 3.684 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000014583314 525488535 /nfs/dbraw/zinc/48/85/35/525488535.db2.gz PDJTWTAEOBUWHG-UHFFFAOYSA-N 0 0 444.534 3.692 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)c2c1 ZINC000033061664 525491796 /nfs/dbraw/zinc/49/17/96/525491796.db2.gz JRKXUAXHYLOYIK-UHFFFAOYSA-N 0 0 449.536 3.572 50 0 biogenic IHAARN Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1Br ZINC000020848774 525512487 /nfs/dbraw/zinc/51/24/87/525512487.db2.gz WWGXFECPAUBSNG-UHFFFAOYSA-N 0 0 431.275 3.702 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cc(C)ccc3C)CC2)c(C)c1 ZINC000012857977 525540030 /nfs/dbraw/zinc/54/00/30/525540030.db2.gz VYXAURZWQJYBKR-UHFFFAOYSA-N 0 0 432.611 3.545 50 0 IHAARN C[C@@H]1Cn2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020532008 525541967 /nfs/dbraw/zinc/54/19/67/525541967.db2.gz LBEOGRWYLTWJKD-CQSZACIVSA-N 0 0 441.890 3.537 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000035911078 525550481 /nfs/dbraw/zinc/55/04/81/525550481.db2.gz SKXHRHIGKQHCIB-XUZZJYLKSA-N 0 0 437.584 3.734 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4ccccc4C)sc3C2)cc1 ZINC000021654702 525553694 /nfs/dbraw/zinc/55/36/94/525553694.db2.gz PSTPTNJJHJYZIP-UHFFFAOYSA-N 0 0 441.578 3.688 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccc4c(c3)ncn4C)no2)C(C)C)cc1 ZINC000035453196 525583936 /nfs/dbraw/zinc/58/39/36/525583936.db2.gz WFUHEACQJXIPEC-LJQANCHMSA-N 0 0 425.514 3.607 50 0 IHAARN CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035380348 525589794 /nfs/dbraw/zinc/58/97/94/525589794.db2.gz MKQCTEQDNIYCNA-VXKWHMMOSA-N 0 0 425.598 3.701 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1ccccc1F)n2C ZINC000020558191 525604344 /nfs/dbraw/zinc/60/43/44/525604344.db2.gz YVJRJXBEGOPGIQ-UHFFFAOYSA-N 0 0 429.451 3.840 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021897161 525619238 /nfs/dbraw/zinc/61/92/38/525619238.db2.gz XPFYSNDUUMAIBX-UHFFFAOYSA-N 0 0 442.468 3.958 50 0 IHAARN COc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCCCC3)c(=O)[nH]c2c1 ZINC000017042595 525620482 /nfs/dbraw/zinc/62/04/82/525620482.db2.gz UHZUZEGSQIQXTD-KQWNVCNZSA-N 0 0 445.519 3.710 50 0 IHAARN COc1ccc2cc(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2c1 ZINC000012473264 525624183 /nfs/dbraw/zinc/62/41/83/525624183.db2.gz KKUPAEPFYQPDEC-IBGZPJMESA-N 0 0 428.510 3.737 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccc(F)cc2)cc1 ZINC000033126198 525633740 /nfs/dbraw/zinc/63/37/40/525633740.db2.gz XRBFJTQQVQRCOI-UHFFFAOYSA-N 0 0 436.555 3.832 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)cc(=O)n2o1 ZINC000041089569 525670460 /nfs/dbraw/zinc/67/04/60/525670460.db2.gz HXQUYHDKLVOSEO-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)cc(=O)n2o1 ZINC000041089563 525670970 /nfs/dbraw/zinc/67/09/70/525670970.db2.gz QYWWDKOXBAPLKU-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4cc(C)ccc4C)cc3)cc(=O)n2o1 ZINC000035378603 525673802 /nfs/dbraw/zinc/67/38/02/525673802.db2.gz HZMDHICKRSBBOM-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc(=O)n2o1 ZINC000035426818 525677364 /nfs/dbraw/zinc/67/73/64/525677364.db2.gz BSNGPXMHMGRCJB-UHFFFAOYSA-N 0 0 433.902 3.645 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021524239 525717725 /nfs/dbraw/zinc/71/77/25/525717725.db2.gz WSQGOHARPUGPSH-QGZVFWFLSA-N 0 0 430.551 3.849 50 0 IHAARN COc1cccc(-c2nc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)n[nH]2)c1 ZINC000020982798 525719326 /nfs/dbraw/zinc/71/93/26/525719326.db2.gz IXBJOOYHGGYDRQ-UHFFFAOYSA-N 0 0 425.539 3.721 50 0 IHAARN CSCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012772369 525720700 /nfs/dbraw/zinc/72/07/00/525720700.db2.gz PJHMEYRQEQTFRW-UHFFFAOYSA-N 0 0 441.528 3.831 50 0 IHAARN CSCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000012905930 525724010 /nfs/dbraw/zinc/72/40/10/525724010.db2.gz CTWRDQBJFFBKSX-UHFFFAOYSA-N 0 0 444.622 3.575 50 0 IHAARN COc1cccc(-c2nc(COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cs2)c1OC ZINC000021716443 525724414 /nfs/dbraw/zinc/72/44/14/525724414.db2.gz GZPFTVNRZPSJOU-CQSZACIVSA-N 0 0 430.526 3.662 50 0 IHAARN COc1cccc(-n2c(CNC(=O)c3ccccn3)nnc2SCCc2ccccc2)c1 ZINC000012161658 525747386 /nfs/dbraw/zinc/74/73/86/525747386.db2.gz CUIKFAYDCHHRGU-UHFFFAOYSA-N 0 0 445.548 3.936 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012909580 525764263 /nfs/dbraw/zinc/76/42/63/525764263.db2.gz XUQRYVGKXWTVAG-UHFFFAOYSA-N 0 0 429.948 3.821 50 0 IHAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N3)cc1 ZINC000020728119 525827190 /nfs/dbraw/zinc/82/71/90/525827190.db2.gz WNBPYICPFWWDNY-HNNXBMFYSA-N 0 0 426.274 3.538 50 0 IHAARN Cc1ccsc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000021654652 525829228 /nfs/dbraw/zinc/82/92/28/525829228.db2.gz RSUUIPZQQLFYBM-UHFFFAOYSA-N 0 0 433.580 3.821 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012760948 525876966 /nfs/dbraw/zinc/87/69/66/525876966.db2.gz RTLXXOQFCNSEFX-KRWDZBQOSA-N 0 0 440.931 3.810 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)cc4C)CC3)n2)cc1 ZINC000012760151 525878168 /nfs/dbraw/zinc/87/81/68/525878168.db2.gz OUYDRMMORNVXGI-UHFFFAOYSA-N 0 0 440.931 3.730 50 0 IHAARN Cc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)N2CCC(Cc3ccccc3)CC2)n1C ZINC000035422205 525882415 /nfs/dbraw/zinc/88/24/15/525882415.db2.gz BBZOLYYTJADXRT-UHFFFAOYSA-N 0 0 443.613 3.603 50 0 IHAARN C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009253938 525894511 /nfs/dbraw/zinc/89/45/11/525894511.db2.gz RKRRBZBWTOLITM-SNVBAGLBSA-N 0 0 439.781 3.519 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(CCO)C(C)C)c(C)c32)c1 ZINC000012454932 525903389 /nfs/dbraw/zinc/90/33/89/525903389.db2.gz QFINEDQLBUVSBS-UHFFFAOYSA-N 0 0 428.558 3.506 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1-c1ccccc1 ZINC000040088216 525925427 /nfs/dbraw/zinc/92/54/27/525925427.db2.gz YNYANJFMAZLKIZ-GFCCVEGCSA-N 0 0 435.709 3.767 50 0 IHAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000035536911 525925760 /nfs/dbraw/zinc/92/57/60/525925760.db2.gz PAAWUOHNENRQJN-IBGZPJMESA-N 0 0 439.519 3.808 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)NCCOc3ccc4c(c3)OCO4)c2C(F)(F)F)cc1 ZINC000048278669 525932071 /nfs/dbraw/zinc/93/20/71/525932071.db2.gz XUHXIQJCIDOSOL-UHFFFAOYSA-N 0 0 433.386 3.737 50 0 IHAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)Nc2cccc(F)c2)nc3C2CC2)cc1C ZINC000022768186 525934001 /nfs/dbraw/zinc/93/40/01/525934001.db2.gz FBZDIDIFWCRGAT-UHFFFAOYSA-N 0 0 431.471 3.854 50 0 IHAARN Cc1ccc(-n2nnn(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2=S)cc1 ZINC000012624535 525937020 /nfs/dbraw/zinc/93/70/20/525937020.db2.gz ITKXEACMPMWDAI-UHFFFAOYSA-N 0 0 434.491 3.905 50 0 IHAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)c(C)c1 ZINC000013128400 525939579 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439.921 3.546 50 0 IHAARN COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000010059847 536529274 /nfs/dbraw/zinc/52/92/74/536529274.db2.gz XWQZVVDFCKLCCP-UHFFFAOYSA-N 0 0 432.904 3.759 50 0 IHAARN COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1c(C)noc1C ZINC000003359622 536533182 /nfs/dbraw/zinc/53/31/82/536533182.db2.gz UHTFSXXQPRYNOW-UHFFFAOYSA-N 0 0 437.496 3.968 50 0 IHAARN COc1ccc(-c2noc(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000009116770 536533904 /nfs/dbraw/zinc/53/39/04/536533904.db2.gz AFKIIKRXFVCSJP-UHFFFAOYSA-N 0 0 426.904 3.598 50 0 IHAARN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F ZINC000000630629 555514607 /nfs/dbraw/zinc/51/46/07/555514607.db2.gz XZBKVEDTSZAPGB-SECBINFHSA-N 0 0 435.702 3.547 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnnn2-c2ccccc2)C1=O ZINC000000632075 555515227 /nfs/dbraw/zinc/51/52/27/555515227.db2.gz FYUUWXOXAAEYEL-KRWDZBQOSA-N 0 0 427.917 3.629 50 0 IHAARN Cn1c2nc(SCc3c(F)cccc3Cl)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000000637145 555516941 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O=C(CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1cccc(F)c1 ZINC000000713226 555548069 /nfs/dbraw/zinc/54/80/69/555548069.db2.gz JTEIFIBJPCIJST-HNNXBMFYSA-N 0 0 437.290 3.592 50 0 IHAARN O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000792965 555557361 /nfs/dbraw/zinc/55/73/61/555557361.db2.gz SVDHVIKESDQVRR-UHFFFAOYSA-N 0 0 446.333 3.898 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)c(Cl)c3n2)cc1 ZINC000000848557 555570109 /nfs/dbraw/zinc/57/01/09/555570109.db2.gz QKSADCKBSWCNCC-UHFFFAOYSA-N 0 0 440.809 3.550 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000862590 555572888 /nfs/dbraw/zinc/57/28/88/555572888.db2.gz GEVFSCXMJQZUHK-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000000907681 555581896 /nfs/dbraw/zinc/58/18/96/555581896.db2.gz BUMXXMIUEFTXJM-UHFFFAOYSA-N 0 0 441.557 3.967 50 0 IHAARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000009642596 555585659 /nfs/dbraw/zinc/58/56/59/555585659.db2.gz BYWMVTLCJBRULM-AWEZNQCLSA-N 0 0 448.306 3.691 50 0 IHAARN COC(=O)c1c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000000943812 555587644 /nfs/dbraw/zinc/58/76/44/555587644.db2.gz JYZUFAKHPUVLMC-MRXNPFEDSA-N 0 0 440.521 3.673 50 0 IHAARN CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000000974501 555592039 /nfs/dbraw/zinc/59/20/39/555592039.db2.gz PXOBGQLVURFQNO-SIXIKZCJSA-N 0 0 437.290 3.538 50 0 IHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 ZINC000000993293 555597489 /nfs/dbraw/zinc/59/74/89/555597489.db2.gz HJVJNMRZYCZMLA-FXAWDEMLSA-N 0 0 437.492 3.728 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000001003880 555600815 /nfs/dbraw/zinc/60/08/15/555600815.db2.gz TWZALWCBTFZPCQ-UHFFFAOYSA-N 0 0 439.562 3.947 50 0 aggregator IHAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cs1 ZINC000001023444 555604093 /nfs/dbraw/zinc/60/40/93/555604093.db2.gz VADNKXXIHQEKQA-UHFFFAOYSA-N 0 0 443.616 3.812 50 0 IHAARN COc1ccc(-c2nnc(SC[C@H](O)C(F)(F)F)n2-c2cccc(OC)c2)cc1 ZINC000001034415 555607363 /nfs/dbraw/zinc/60/73/63/555607363.db2.gz OVHKBBSNTVMPNB-INIZCTEOSA-N 0 0 425.432 3.967 50 0 IHAARN CCN(CC)C(=S)Oc1ccc(Br)cc1C(=O)NCCc1ccncc1 ZINC000001048805 555612140 /nfs/dbraw/zinc/61/21/40/555612140.db2.gz YMYAVHFBMDBSQM-UHFFFAOYSA-N 0 0 436.375 3.822 50 0 IHAARN Cn1c2nc(NCCC3=CCCCC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001069343 555620310 /nfs/dbraw/zinc/62/03/10/555620310.db2.gz DEEQPLYOSPFRCZ-UHFFFAOYSA-N 0 0 445.926 3.577 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2C(C)C)cc1 ZINC000001071028 555621192 /nfs/dbraw/zinc/62/11/92/555621192.db2.gz JZJXRVLRUMRWKF-FQEVSTJZSA-N 0 0 443.544 3.959 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1 ZINC000001078392 555625269 /nfs/dbraw/zinc/62/52/69/555625269.db2.gz VKWPILKTHLHRPZ-JOCHJYFZSA-N 0 0 437.293 3.852 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000001099972 555628438 /nfs/dbraw/zinc/62/84/38/555628438.db2.gz GVPHITJWXBKKFD-UHFFFAOYSA-N 0 0 429.923 3.680 50 0 IHAARN COc1ccc(N2C(=S)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001104359 555628999 /nfs/dbraw/zinc/62/89/99/555628999.db2.gz XLUBJAPNKGPJRX-DLBZAZTESA-N 0 0 443.377 3.779 50 0 IHAARN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000001108741 555630209 /nfs/dbraw/zinc/63/02/09/555630209.db2.gz HMAWYTAGZBJCCL-ZDUSSCGKSA-N 0 0 441.347 3.543 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000001109315 555630803 /nfs/dbraw/zinc/63/08/03/555630803.db2.gz OJCKRZJWNFPPCO-UHFFFAOYSA-N 0 0 448.903 3.975 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1OC ZINC000001114752 555633790 /nfs/dbraw/zinc/63/37/90/555633790.db2.gz XSORVDYFGCTEAZ-GOSISDBHSA-N 0 0 428.794 3.858 50 0 IHAARN CCc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001116421 555634683 /nfs/dbraw/zinc/63/46/83/555634683.db2.gz PANZCLVYIDIMLP-UHFFFAOYSA-N 0 0 425.348 3.725 50 0 IHAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc(OC)c1OC ZINC000001119871 555636951 /nfs/dbraw/zinc/63/69/51/555636951.db2.gz PXPBPLBUWMOQCW-UHFFFAOYSA-N 0 0 442.493 3.766 50 0 IHAARN COc1ccc(CCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1OC ZINC000001121748 555638220 /nfs/dbraw/zinc/63/82/20/555638220.db2.gz ZZTLFVZQIURLBO-UHFFFAOYSA-N 0 0 427.570 3.859 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000001123895 555639299 /nfs/dbraw/zinc/63/92/99/555639299.db2.gz JSNHVPQVGAUQQT-UHFFFAOYSA-N 0 0 434.492 3.937 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000001128587 555642847 /nfs/dbraw/zinc/64/28/47/555642847.db2.gz LMHXEPDFQWBALU-UHFFFAOYSA-N 0 0 447.923 3.751 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc(C(=O)OC)c1 ZINC000001129131 555643348 /nfs/dbraw/zinc/64/33/48/555643348.db2.gz PEPUVRCNEOPAJP-UHFFFAOYSA-N 0 0 432.432 3.764 50 0 IHAARN O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccccc1 ZINC000001129407 555643399 /nfs/dbraw/zinc/64/33/99/555643399.db2.gz DWRQCSXZWHWKGL-UHFFFAOYSA-N 0 0 449.532 3.976 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)cc1 ZINC000001131088 555644479 /nfs/dbraw/zinc/64/44/79/555644479.db2.gz VOJIRRVDXZFORV-UHFFFAOYSA-N 0 0 435.505 3.718 50 0 IHAARN CSc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000001133639 555646098 /nfs/dbraw/zinc/64/60/98/555646098.db2.gz IIKABPLUWXXTEB-UHFFFAOYSA-N 0 0 429.361 3.576 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000001140063 555649507 /nfs/dbraw/zinc/64/95/07/555649507.db2.gz CJFVTZZYVACAMY-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccc(CCN2C(=O)C[C@@H](Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000001143507 555651500 /nfs/dbraw/zinc/65/15/00/555651500.db2.gz CJXMDWMCQOPZLZ-MRXNPFEDSA-N 0 0 432.314 3.627 50 0 IHAARN Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000001143621 555651581 /nfs/dbraw/zinc/65/15/81/555651581.db2.gz VJDHIBIBYDRWEO-UHFFFAOYSA-N 0 0 431.359 3.696 50 0 IHAARN COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1O ZINC000001145295 555652894 /nfs/dbraw/zinc/65/28/94/555652894.db2.gz AOBKSPHWXNPKTN-VGOFMYFVSA-N 0 0 437.677 3.910 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000001145578 555652944 /nfs/dbraw/zinc/65/29/44/555652944.db2.gz POAXPWCHGDGDFR-UHFFFAOYSA-N 0 0 446.550 3.995 50 0 IHAARN COc1ccccc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000001145738 555653310 /nfs/dbraw/zinc/65/33/10/555653310.db2.gz QJZMZCGWTKVPMF-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Br)c(OC)c1 ZINC000001162350 555662645 /nfs/dbraw/zinc/66/26/45/555662645.db2.gz LLJJFFZENNXCIK-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 ZINC000001166224 555664064 /nfs/dbraw/zinc/66/40/64/555664064.db2.gz SEWMUCCBKCKPKI-KRWDZBQOSA-N 0 0 444.553 3.562 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001174168 555668616 /nfs/dbraw/zinc/66/86/16/555668616.db2.gz MYQWTJUIDZCYMG-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN COc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001174502 555668903 /nfs/dbraw/zinc/66/89/03/555668903.db2.gz QIHXZJZADGQYRJ-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000001202645 555679098 /nfs/dbraw/zinc/67/90/98/555679098.db2.gz WPTHSSQZPKKFLL-NRFANRHFSA-N 0 0 438.505 3.664 50 0 IHAARN O=C(Cc1ccccc1)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl ZINC000001232152 555686913 /nfs/dbraw/zinc/68/69/13/555686913.db2.gz XCGIKTGYTJPUEV-OAHLLOKOSA-N 0 0 432.760 3.734 50 0 IHAARN O=C1N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000001244624 555687463 /nfs/dbraw/zinc/68/74/63/555687463.db2.gz SILXTCBIXUXNEX-CVEARBPZSA-N 0 0 441.734 3.715 50 0 IHAARN CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000001289732 555689012 /nfs/dbraw/zinc/68/90/12/555689012.db2.gz PXKSZHVBELLBQP-OAHLLOKOSA-N 0 0 430.888 3.582 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010537089 555693740 /nfs/dbraw/zinc/69/37/40/555693740.db2.gz OSXQTGXLZWMRSJ-UHFFFAOYSA-N 0 0 437.905 3.618 50 0 IHAARN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000001428367 555696251 /nfs/dbraw/zinc/69/62/51/555696251.db2.gz UHZWAPLTYOXFIT-QRKVXACQSA-N 0 0 438.593 3.934 50 0 IHAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 ZINC000001442525 555698117 /nfs/dbraw/zinc/69/81/17/555698117.db2.gz UAXHJAOXEATSGM-NRFANRHFSA-N 0 0 430.533 3.921 50 0 IHAARN COC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccc(C)cc2)=N1 ZINC000002050278 555728673 /nfs/dbraw/zinc/72/86/73/555728673.db2.gz WMPXXMMZAPRUOR-MRXNPFEDSA-N 0 0 428.208 3.693 50 0 IHAARN COc1ccccc1NC(=S)NC(=O)c1ccc(C)c(I)c1 ZINC000002137162 555747250 /nfs/dbraw/zinc/74/72/50/555747250.db2.gz HISULUMIOSFJDQ-UHFFFAOYSA-N 0 0 426.279 3.735 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccncc4)n3N)ccc21 ZINC000002193265 555756563 /nfs/dbraw/zinc/75/65/63/555756563.db2.gz MJPLSOJYRQTNCI-UHFFFAOYSA-N 0 0 443.536 3.913 50 0 IHAARN COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000002276053 555764730 /nfs/dbraw/zinc/76/47/30/555764730.db2.gz VVGWFFQNUYUDJT-KRWDZBQOSA-N 0 0 432.782 3.916 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002301850 555766956 /nfs/dbraw/zinc/76/69/56/555766956.db2.gz HQQROBVFRQLKCY-FQWPPLDYSA-N 0 0 446.572 3.922 50 0 IHAARN COc1cc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(C)c4)nc3C2)cc(OC)c1OC ZINC000002423711 555777673 /nfs/dbraw/zinc/77/76/73/555777673.db2.gz JWZOZGQCMZBHIJ-INIZCTEOSA-N 0 0 447.491 3.976 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1 ZINC000002431696 555778334 /nfs/dbraw/zinc/77/83/34/555778334.db2.gz YBOAGRRSZVZAJW-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN COc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034667909 555792149 /nfs/dbraw/zinc/79/21/49/555792149.db2.gz UYLJUZBKNFUNKH-UHFFFAOYSA-N 0 0 438.478 3.943 50 0 IHAARN O=C(c1ccc(F)cc1F)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679174 555798373 /nfs/dbraw/zinc/79/83/73/555798373.db2.gz OYKNJITZLUUMQS-UHFFFAOYSA-N 0 0 427.499 3.544 50 0 IHAARN Cc1cccc(Cn2cnc3c2c(=O)n(Cc2ccccc2)c(=O)n3-c2ccc(F)cc2)c1 ZINC000034693076 555805966 /nfs/dbraw/zinc/80/59/66/555805966.db2.gz AYANTULIEOZISN-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3ccccc3C)c2c(=O)n(C2CCCC2)c1=O ZINC000034693574 555808054 /nfs/dbraw/zinc/80/80/54/555808054.db2.gz YDNXQPWDHQGHPY-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3ccccc3Cl)c2c(=O)n(CC(C)C)c1=O ZINC000034694059 555809174 /nfs/dbraw/zinc/80/91/74/555809174.db2.gz KGPOETKWCJRIAH-UHFFFAOYSA-N 0 0 438.915 3.715 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc1 ZINC000034680608 555813428 /nfs/dbraw/zinc/81/34/28/555813428.db2.gz CVPSOUBWHYCVQE-UHFFFAOYSA-N 0 0 445.361 3.791 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(CCC)c3n2)s1 ZINC000002775269 555817539 /nfs/dbraw/zinc/81/75/39/555817539.db2.gz MCAHLBNUHSHXKM-UHFFFAOYSA-N 0 0 427.559 3.924 50 0 IHAARN COc1cccc(N(C(C)=O)C2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 ZINC000034683429 555818801 /nfs/dbraw/zinc/81/88/01/555818801.db2.gz UPYHHMBUJTYVBD-UHFFFAOYSA-N 0 0 428.529 3.739 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3c3nnc(C4CC4)n32)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034707218 555822175 /nfs/dbraw/zinc/82/21/75/555822175.db2.gz JUFANMYUWXYZLC-MRXNPFEDSA-N 0 0 444.514 3.574 50 0 IHAARN Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002797455 555823014 /nfs/dbraw/zinc/82/30/14/555823014.db2.gz YTSNVGSINYUYJE-UHFFFAOYSA-N 0 0 434.443 3.873 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCCN(C(=O)c4ccccc4C)CC3)n12 ZINC000034700088 555837299 /nfs/dbraw/zinc/83/72/99/555837299.db2.gz MJEVVIVQOOJJGL-UHFFFAOYSA-N 0 0 434.931 3.900 50 0 IHAARN Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000002849550 555838672 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3.767 50 0 IHAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000002880208 555854555 /nfs/dbraw/zinc/85/45/55/555854555.db2.gz GPAFJPSWKMSUDC-AWEZNQCLSA-N 0 0 438.933 3.537 50 0 IHAARN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000002884954 555857509 /nfs/dbraw/zinc/85/75/09/555857509.db2.gz KMMXSYKQGJAONK-UHFFFAOYSA-N 0 0 434.602 3.992 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000002962802 555867960 /nfs/dbraw/zinc/86/79/60/555867960.db2.gz AEHDVPCDNKTLRZ-MRXNPFEDSA-N 0 0 430.526 3.679 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C)cc2)cc1 ZINC000002975749 555869988 /nfs/dbraw/zinc/86/99/88/555869988.db2.gz CNGBRBNZNCXRAG-UHFFFAOYSA-N 0 0 432.586 3.996 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000002978862 555870975 /nfs/dbraw/zinc/87/09/75/555870975.db2.gz GYWUGLXYVGCYOD-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c2ccccc2F)cc1 ZINC000002992621 555875422 /nfs/dbraw/zinc/87/54/22/555875422.db2.gz XLEZDCARCDAZRT-UHFFFAOYSA-N 0 0 438.590 3.977 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000003004155 555878178 /nfs/dbraw/zinc/87/81/78/555878178.db2.gz IRGDHXCKKRDFOE-UHFFFAOYSA-N 0 0 447.409 3.809 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2ccccc2)cc1 ZINC000003004526 555878247 /nfs/dbraw/zinc/87/82/47/555878247.db2.gz SEGJVKHQSZYRBO-LJQANCHMSA-N 0 0 438.549 3.764 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1 ZINC000003025317 555881825 /nfs/dbraw/zinc/88/18/25/555881825.db2.gz MXHYNMHAPQJBBR-UHFFFAOYSA-N 0 0 444.940 3.757 50 0 IHAARN CN(C)c1ccc(NS(=O)(=O)[C@@H]2CON(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000034738663 555889274 /nfs/dbraw/zinc/88/92/74/555889274.db2.gz XHXIYZAGMVDEAN-MSOLQXFVSA-N 0 0 429.464 3.500 50 0 IHAARN Cc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccccc2)CC3)c1 ZINC000034757829 555902628 /nfs/dbraw/zinc/90/26/28/555902628.db2.gz SNNUXBPKOLFOHI-UHFFFAOYSA-N 0 0 430.508 3.612 50 0 IHAARN O=C(NCCc1ccccc1)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811226 555908828 /nfs/dbraw/zinc/90/88/28/555908828.db2.gz SCBKICZPOXCQQU-UHFFFAOYSA-N 0 0 442.441 3.530 50 0 IHAARN O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2=O)N1CCC(Cc2ccccc2)CC1 ZINC000034810835 555908835 /nfs/dbraw/zinc/90/88/35/555908835.db2.gz SYJXMTSHKVUIJP-UHFFFAOYSA-N 0 0 428.536 3.634 50 0 IHAARN O=C(NCCc1ccccc1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811660 555909407 /nfs/dbraw/zinc/90/94/07/555909407.db2.gz GXJWSPSYBYJSRH-UHFFFAOYSA-N 0 0 443.334 3.818 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034830853 555912070 /nfs/dbraw/zinc/91/20/70/555912070.db2.gz ZICXRZHCWZMMJI-HXUWFJFHSA-N 0 0 434.927 4.000 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000034898224 555927851 /nfs/dbraw/zinc/92/78/51/555927851.db2.gz PSAQWRWPFXYKAR-UHFFFAOYSA-N 0 0 443.613 3.626 50 0 IHAARN O=C1N[C@@H](c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163838 555970949 /nfs/dbraw/zinc/97/09/49/555970949.db2.gz SCVHLNZCSIMTDW-KEYYUXOJSA-N 0 0 443.219 3.553 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)no2)c1 ZINC000004176506 555973349 /nfs/dbraw/zinc/97/33/49/555973349.db2.gz NCHFCLWWJAAMMQ-LLVKDONJSA-N 0 0 441.509 3.896 50 0 IHAARN Cc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 ZINC000004176595 555973483 /nfs/dbraw/zinc/97/34/83/555973483.db2.gz CVORZBVPCNFWPC-GOSISDBHSA-N 0 0 425.945 3.928 50 0 IHAARN CCc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 ZINC000004615378 556004200 /nfs/dbraw/zinc/00/42/00/556004200.db2.gz FORVXNHYHDOKPJ-HXKBJWFLSA-N 0 0 432.557 3.687 50 0 IHAARN COc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 ZINC000004733118 556008542 /nfs/dbraw/zinc/00/85/42/556008542.db2.gz NWNVNPDMHWCRBP-DHIUTWEWSA-N 0 0 447.491 3.657 50 0 IHAARN Cn1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)C3CCCCC3)cc2n(C)c1=O ZINC000004744114 556009213 /nfs/dbraw/zinc/00/92/13/556009213.db2.gz KITASOGSRUSONG-FQEVSTJZSA-N 0 0 427.570 3.519 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000006023489 556072537 /nfs/dbraw/zinc/07/25/37/556072537.db2.gz BGGGASDMOJHZKK-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000010571966 556090047 /nfs/dbraw/zinc/09/00/47/556090047.db2.gz YJOSXSZYQJKVIW-AWEZNQCLSA-N 0 0 427.478 3.611 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccs2)c(OC)cc1Cl ZINC000006461721 556090119 /nfs/dbraw/zinc/09/01/19/556090119.db2.gz NDPFKHBMLBVNKD-QGZVFWFLSA-N 0 0 431.905 3.938 50 0 IHAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O ZINC000002633561 556115030 /nfs/dbraw/zinc/11/50/30/556115030.db2.gz HGVCPPOYLHJZDZ-UHFFFAOYSA-N 0 0 444.516 3.524 50 0 IHAARN Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(I)cc1)C(=O)N2 ZINC000002642270 556116603 /nfs/dbraw/zinc/11/66/03/556116603.db2.gz PRNLVPYIRRBBMD-INIZCTEOSA-N 0 0 435.265 3.669 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000002646981 556117211 /nfs/dbraw/zinc/11/72/11/556117211.db2.gz OZRYBDNRTKCPAJ-UHFFFAOYSA-N 0 0 425.514 3.565 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC ZINC000002705702 556123877 /nfs/dbraw/zinc/12/38/77/556123877.db2.gz IYDYJHGLURTARZ-UHFFFAOYSA-N 0 0 435.524 3.880 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)c1 ZINC000002707920 556124476 /nfs/dbraw/zinc/12/44/76/556124476.db2.gz PLZNDQVUKFQDLS-UHFFFAOYSA-N 0 0 447.237 3.612 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1c(C)cc(C)cc1C)c2=O ZINC000002712283 556125421 /nfs/dbraw/zinc/12/54/21/556125421.db2.gz WDHWKGTULRPIEO-SFHVURJKSA-N 0 0 436.508 3.896 50 0 IHAARN COC(=O)c1ccc(Cc2noc(COC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC000097377863 556134477 /nfs/dbraw/zinc/13/44/77/556134477.db2.gz FXNDVKGFMNHTIB-QGZVFWFLSA-N 0 0 445.516 3.611 50 0 IHAARN COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002755676 556137498 /nfs/dbraw/zinc/13/74/98/556137498.db2.gz FCSWWZMUINPGIF-OCCSQVGLSA-N 0 0 447.255 3.682 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1cnccn1 ZINC000002759942 556137783 /nfs/dbraw/zinc/13/77/83/556137783.db2.gz GNSOYCVMEWLMER-UHFFFAOYSA-N 0 0 440.481 3.536 50 0 IHAARN O=C(Nc1ncn(Cc2cccc(F)c2)n1)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002786727 556138872 /nfs/dbraw/zinc/13/88/72/556138872.db2.gz VGWVIIDRKKKUSC-UHFFFAOYSA-N 0 0 426.839 3.604 50 0 IHAARN C[C@@H](Cn1cc(Br)cn1)C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1 ZINC000002808367 556146635 /nfs/dbraw/zinc/14/66/35/556146635.db2.gz ZJWZNMLDLNVNAO-ZDUSSCGKSA-N 0 0 444.362 3.564 50 0 IHAARN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 ZINC000008383789 556159727 /nfs/dbraw/zinc/15/97/27/556159727.db2.gz KZYPVTMXUKTQFQ-TZIWHRDSSA-N 0 0 437.492 3.809 50 0 IHAARN COC(=O)c1cccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2C)c1 ZINC000008400903 556166544 /nfs/dbraw/zinc/16/65/44/556166544.db2.gz ZFUCIMSAXNLKRA-UHFFFAOYSA-N 0 0 442.566 3.766 50 0 IHAARN CCOC(=O)[C@@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433051 556172384 /nfs/dbraw/zinc/17/23/84/556172384.db2.gz ZSZKOKPABFKBKF-SQGPQFPESA-N 0 0 438.402 3.605 50 0 IHAARN CCOC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433052 556172466 /nfs/dbraw/zinc/17/24/66/556172466.db2.gz ZSZKOKPABFKBKF-MBOZVWFJSA-N 0 0 438.402 3.605 50 0 IHAARN COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000008448103 556180480 /nfs/dbraw/zinc/18/04/80/556180480.db2.gz BYAVANVJNLLNDZ-UHFFFAOYSA-N 0 0 441.480 3.653 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 ZINC000008449746 556180941 /nfs/dbraw/zinc/18/09/41/556180941.db2.gz PGTFTONWDNTEMZ-WKZKVMAPSA-N 0 0 431.488 3.879 50 0 IHAARN O=C(COc1ccccc1)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000008672691 556198530 /nfs/dbraw/zinc/19/85/30/556198530.db2.gz KUJOTDUAHRBTQI-HNNXBMFYSA-N 0 0 448.759 3.570 50 0 IHAARN COc1ccc(-c2nnn(C3CCN(C(=S)Nc4ccccc4C)CC3)n2)cc1OC ZINC000008694573 556200875 /nfs/dbraw/zinc/20/08/75/556200875.db2.gz CGUWXVNNJYEFPU-UHFFFAOYSA-N 0 0 438.557 3.700 50 0 IHAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c1 ZINC000008715405 556201817 /nfs/dbraw/zinc/20/18/17/556201817.db2.gz UAFJQMMMCMTHKF-UHFFFAOYSA-N 0 0 441.534 3.665 50 0 IHAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccccc1Cl ZINC000008748626 556210355 /nfs/dbraw/zinc/21/03/55/556210355.db2.gz ICXFZTBRKGBKHK-INIZCTEOSA-N 0 0 443.908 3.799 50 0 IHAARN CCCCOC(=O)COc1cc(OCC(=O)OCCCC)c2c3c(c(=O)oc2c1)CCC3 ZINC000008757243 556211308 /nfs/dbraw/zinc/21/13/08/556211308.db2.gz OWGFDFIKMYOJGT-UHFFFAOYSA-N 0 0 446.496 3.726 50 0 IHAARN CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000008784367 556215331 /nfs/dbraw/zinc/21/53/31/556215331.db2.gz VNVJYSAWHHDJHD-CABCVRRESA-N 0 0 448.552 3.879 50 0 IHAARN CCCSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868527 556228608 /nfs/dbraw/zinc/22/86/08/556228608.db2.gz VOBWGLLSVCQQNQ-LBPRGKRZSA-N 0 0 446.019 3.523 50 0 IHAARN CCCCOc1ccc(OCCNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000008869580 556228743 /nfs/dbraw/zinc/22/87/43/556228743.db2.gz MSFQXDWPOUPKEM-JOCHJYFZSA-N 0 0 444.597 3.912 50 0 IHAARN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1 ZINC000009031716 556242010 /nfs/dbraw/zinc/24/20/10/556242010.db2.gz WNVQRESAURBLPQ-UHFFFAOYSA-N 0 0 428.297 3.873 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 ZINC000009082873 556245507 /nfs/dbraw/zinc/24/55/07/556245507.db2.gz ACPDIIJQNMFHOK-UHFFFAOYSA-N 0 0 432.432 3.764 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@@H]2CCCC[C@@H]21 ZINC000009123886 556248294 /nfs/dbraw/zinc/24/82/94/556248294.db2.gz PTBCTVVKUYENGB-BHIFYINESA-N 0 0 449.551 3.593 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000009129114 556248454 /nfs/dbraw/zinc/24/84/54/556248454.db2.gz LEWAGIQXTBQCHL-LBPRGKRZSA-N 0 0 426.332 3.774 50 0 IHAARN O=C(Cn1c(=O)sc2ccccc21)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000009129275 556248527 /nfs/dbraw/zinc/24/85/27/556248527.db2.gz CIUPUUIEOWHEQG-UHFFFAOYSA-N 0 0 442.547 3.528 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000009191052 556253489 /nfs/dbraw/zinc/25/34/89/556253489.db2.gz FEZFAFYQCOWYHJ-HXUWFJFHSA-N 0 0 449.551 3.624 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)CC2=O)cc1 ZINC000009191091 556253512 /nfs/dbraw/zinc/25/35/12/556253512.db2.gz HEFAOIATTHDJKN-OAQYLSRUSA-N 0 0 439.600 3.816 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009197476 556255663 /nfs/dbraw/zinc/25/56/63/556255663.db2.gz UDRVOIRHPWJGGO-RTBURBONSA-N 0 0 427.505 3.776 50 0 IHAARN Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc(Br)ccc1O ZINC000009235338 556263470 /nfs/dbraw/zinc/26/34/70/556263470.db2.gz WQDCOTYPZXONPT-UHFFFAOYSA-N 0 0 445.342 3.632 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009236697 556264161 /nfs/dbraw/zinc/26/41/61/556264161.db2.gz WWTMXZWPJKGCPG-MSOLQXFVSA-N 0 0 429.933 3.955 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237653 556264481 /nfs/dbraw/zinc/26/44/81/556264481.db2.gz GSFIYJRYAKUIHT-HZPDHXFCSA-N 0 0 448.321 3.886 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1Cl ZINC000009238588 556264706 /nfs/dbraw/zinc/26/47/06/556264706.db2.gz CMCAZZGIYRUFJO-ROUUACIJSA-N 0 0 445.932 3.655 50 0 IHAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)c1 ZINC000009238618 556265000 /nfs/dbraw/zinc/26/50/00/556265000.db2.gz RYPNDJFWVHOCEQ-QZTJIDSGSA-N 0 0 445.932 3.655 50 0 IHAARN COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)cc1 ZINC000009238636 556265049 /nfs/dbraw/zinc/26/50/49/556265049.db2.gz BKCSINXPPDCJJA-ROUUACIJSA-N 0 0 445.932 3.655 50 0 IHAARN CCn1c(SCC(=O)Nc2ncc3c(n2)CCCC3=O)nnc1-c1ccc(Cl)cc1 ZINC000009287328 556272220 /nfs/dbraw/zinc/27/22/20/556272220.db2.gz IUKXSXUJASZUAB-UHFFFAOYSA-N 0 0 442.932 3.658 50 0 IHAARN COc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 ZINC000009304731 556276250 /nfs/dbraw/zinc/27/62/50/556276250.db2.gz NBRDRCCFSBHVIR-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009304795 556276582 /nfs/dbraw/zinc/27/65/82/556276582.db2.gz ILCHIIFNDOHHNR-XMSQKQJNSA-N 0 0 447.487 3.921 50 0 IHAARN COc1ccccc1C(=O)N1CCC(C(=O)NCCc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000013691512 556281132 /nfs/dbraw/zinc/28/11/32/556281132.db2.gz WFAUCSINJQMTCJ-UHFFFAOYSA-N 0 0 437.515 3.835 50 0 IHAARN CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)C1 ZINC000009329288 556282651 /nfs/dbraw/zinc/28/26/51/556282651.db2.gz YZQJFHNPNVPKFB-INIZCTEOSA-N 0 0 443.931 3.545 50 0 IHAARN Cn1c(CCNC(=O)C2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000009408896 556287728 /nfs/dbraw/zinc/28/77/28/556287728.db2.gz KJGKSHDMJZZWGG-UHFFFAOYSA-N 0 0 440.569 3.613 50 0 IHAARN CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009418952 556289141 /nfs/dbraw/zinc/28/91/41/556289141.db2.gz JNMHSYPRJSCPLO-LEWJYISDSA-N 0 0 428.579 3.597 50 0 IHAARN O=C(N[C@H](CO)c1ccccc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013722124 556290958 /nfs/dbraw/zinc/29/09/58/556290958.db2.gz YNHYTICWERZTNJ-RUZDIDTESA-N 0 0 442.559 3.907 50 0 IHAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 ZINC000009444268 556292163 /nfs/dbraw/zinc/29/21/63/556292163.db2.gz CGAQYZLBULBDOA-QFIPXVFZSA-N 0 0 439.479 3.575 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000009487236 556294549 /nfs/dbraw/zinc/29/45/49/556294549.db2.gz VSQLJGCEYQPPSN-HXUWFJFHSA-N 0 0 426.538 3.515 50 0 IHAARN COc1ccc(-c2cc3ccc(OCC(=O)NCc4ccccn4)cc3oc2=O)cc1OC ZINC000013730686 556295559 /nfs/dbraw/zinc/29/55/59/556295559.db2.gz ICYGTNWLTDKDHR-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 IHAARN CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009525812 556296052 /nfs/dbraw/zinc/29/60/52/556296052.db2.gz KWTZXEXHUAAIJH-UHFFFAOYSA-N 0 0 444.336 3.902 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000009525839 556296065 /nfs/dbraw/zinc/29/60/65/556296065.db2.gz JRQXCXADZVKWNX-UHFFFAOYSA-N 0 0 430.309 3.648 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cc1OC ZINC000032739261 556299652 /nfs/dbraw/zinc/29/96/52/556299652.db2.gz SXCRMUPNJQBHJA-KRWDZBQOSA-N 0 0 439.339 3.814 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)O[C@H](C)C2 ZINC000032741026 556302445 /nfs/dbraw/zinc/30/24/45/556302445.db2.gz SUINNSJQNRSHHE-MRXNPFEDSA-N 0 0 447.535 3.775 50 0 IHAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)NCC(F)(F)F ZINC000032741836 556303715 /nfs/dbraw/zinc/30/37/15/556303715.db2.gz ISRWIOVZVIMLMH-UHFFFAOYSA-N 0 0 435.431 3.838 50 0 IHAARN Cc1ccccc1NC(=O)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663450 556304584 /nfs/dbraw/zinc/30/45/84/556304584.db2.gz IXKKZIYNEPSZPV-LJQANCHMSA-N 0 0 428.492 3.879 50 0 IHAARN O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000032744556 556304633 /nfs/dbraw/zinc/30/46/33/556304633.db2.gz LNNIGPABTMTKLE-UHFFFAOYSA-N 0 0 425.287 3.862 50 0 IHAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032732088 556305452 /nfs/dbraw/zinc/30/54/52/556305452.db2.gz CNHYQFHJLHDCEG-LJQANCHMSA-N 0 0 441.380 3.720 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000013779054 556308176 /nfs/dbraw/zinc/30/81/76/556308176.db2.gz ACYAAMZDIOLPGK-WCIQWLHISA-N 0 0 437.293 3.554 50 0 IHAARN C[C@H](O)CN(C[C@H](C)O)c1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013778697 556308312 /nfs/dbraw/zinc/30/83/12/556308312.db2.gz MAQSNTSHXVZYDY-GJZGRUSLSA-N 0 0 434.565 3.963 50 0 IHAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000032738652 556308497 /nfs/dbraw/zinc/30/84/97/556308497.db2.gz VAPJPRWWWREPBS-QZTJIDSGSA-N 0 0 428.554 3.646 50 0 IHAARN CCCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCN(C(C)=O)C3 ZINC000009830579 556311412 /nfs/dbraw/zinc/31/14/12/556311412.db2.gz NDVLJSZWTOBOOJ-UHFFFAOYSA-N 0 0 431.945 3.572 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CCn1c(=O)oc3cc(Cl)ccc31)O[C@H](C)C2 ZINC000032747569 556316238 /nfs/dbraw/zinc/31/62/38/556316238.db2.gz OKYGRZGWFLRMOF-CYBMUJFWSA-N 0 0 430.888 3.677 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 ZINC000009934040 556317559 /nfs/dbraw/zinc/31/75/59/556317559.db2.gz HMKHVAJGZYWJAP-NRFANRHFSA-N 0 0 439.512 3.596 50 0 IHAARN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C ZINC000032759269 556319062 /nfs/dbraw/zinc/31/90/62/556319062.db2.gz LLTNADYSJCLSCA-QFIPXVFZSA-N 0 0 429.563 3.775 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)cc(OC)c1OC ZINC000032756975 556324713 /nfs/dbraw/zinc/32/47/13/556324713.db2.gz YYSZCWWPWQCZLZ-UHFFFAOYSA-N 0 0 426.538 3.885 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032759104 556325127 /nfs/dbraw/zinc/32/51/27/556325127.db2.gz DBMQCDQWNYTOIZ-UHFFFAOYSA-N 0 0 440.887 3.737 50 0 IHAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2OC)N(c2nnc(C)s2)C1=O ZINC000010233239 556328275 /nfs/dbraw/zinc/32/82/75/556328275.db2.gz CWJYFDYRSCFOCL-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c(Br)c1 ZINC000032770638 556334463 /nfs/dbraw/zinc/33/44/63/556334463.db2.gz LOHVIWIJKWFNMY-LBPRGKRZSA-N 0 0 442.331 3.674 50 0 IHAARN CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)nc2ccccc21 ZINC000013942907 556340400 /nfs/dbraw/zinc/34/04/00/556340400.db2.gz LRGHBUOWVPQRPG-UHFFFAOYSA-N 0 0 428.514 3.553 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000013955630 556344879 /nfs/dbraw/zinc/34/48/79/556344879.db2.gz UOXXBXZFBJUJPO-UPVQGACJSA-N 0 0 447.535 3.807 50 0 IHAARN Cc1cccn2c(CNCc3cnn(Cc4ccccc4)c3)c(C(=O)N3CCCCC3)nc12 ZINC000011663847 556344847 /nfs/dbraw/zinc/34/48/47/556344847.db2.gz VAFVYRWUNFJGBQ-UHFFFAOYSA-N 0 0 442.567 3.803 50 0 IHAARN COc1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000011691732 556346942 /nfs/dbraw/zinc/34/69/42/556346942.db2.gz DPPZSRPGWLTBSA-CPNJWEJPSA-N 0 0 442.493 3.778 50 0 IHAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000032784430 556349923 /nfs/dbraw/zinc/34/99/23/556349923.db2.gz MEDMKZXXPCIMBL-SFHVURJKSA-N 0 0 426.563 3.631 50 0 IHAARN CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000032778425 556351499 /nfs/dbraw/zinc/35/14/99/556351499.db2.gz DCUQBVRNUYSINN-GFCCVEGCSA-N 0 0 440.554 3.994 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000013987995 556352481 /nfs/dbraw/zinc/35/24/81/556352481.db2.gz HZRSSNOSFLWBHQ-UHFFFAOYSA-N 0 0 443.551 3.928 50 0 IHAARN Cc1cnc(-n2ncc(C(=O)NCCc3cccnc3)c2C2CC2)nc1-c1cccs1 ZINC000011786586 556353521 /nfs/dbraw/zinc/35/35/21/556353521.db2.gz HDEWDVRUUNIJKW-UHFFFAOYSA-N 0 0 430.537 3.944 50 0 IHAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)N[C@@H](CCn1ccnc1)c1ccccc1 ZINC000011790006 556355348 /nfs/dbraw/zinc/35/53/48/556355348.db2.gz RGTPPVHBFNUVHJ-URXFXBBRSA-N 0 0 436.581 3.864 50 0 IHAARN CC(=O)Nc1cc(C(=O)NCc2cccc(F)c2F)cc2ncn(CCc3ccccn3)c21 ZINC000011790996 556356102 /nfs/dbraw/zinc/35/61/02/556356102.db2.gz NQCLTJHAHFIZNK-UHFFFAOYSA-N 0 0 449.461 3.841 50 0 IHAARN COC(=O)c1ccc(-c2noc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)n2)cc1 ZINC000011813627 556357246 /nfs/dbraw/zinc/35/72/46/556357246.db2.gz PKWYQXPZCMUKLL-UHFFFAOYSA-N 0 0 431.496 3.958 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(C)s2)C1 ZINC000011815064 556357892 /nfs/dbraw/zinc/35/78/92/556357892.db2.gz KXJBJIAUINXBQO-NRFANRHFSA-N 0 0 433.599 3.662 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000011818730 556360513 /nfs/dbraw/zinc/36/05/13/556360513.db2.gz YYKKHJFYZJPJNW-QGZVFWFLSA-N 0 0 429.604 3.658 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 ZINC000014070343 556360765 /nfs/dbraw/zinc/36/07/65/556360765.db2.gz PAVUOGQHQVOHKV-UHFFFAOYSA-N 0 0 442.585 3.887 50 0 IHAARN Cc1cc(C2=NNC(=Nc3cc(S(=O)(=O)N(C)C)ccc3C)SC2)c(C)n1C1CC1 ZINC000014070301 556360794 /nfs/dbraw/zinc/36/07/94/556360794.db2.gz FREPAZJEECQGQL-UHFFFAOYSA-N 0 0 445.614 3.918 50 0 IHAARN COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C[C@H]3CCCO3)c2)c1 ZINC000014083597 556363217 /nfs/dbraw/zinc/36/32/17/556363217.db2.gz XXTVHDWTXMBHBM-QGZVFWFLSA-N 0 0 445.475 3.516 50 0 IHAARN COc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000011844375 556367416 /nfs/dbraw/zinc/36/74/16/556367416.db2.gz DJSWLTUTRZDFFY-UHFFFAOYSA-N 0 0 432.524 3.859 50 0 IHAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 ZINC000014103604 556368138 /nfs/dbraw/zinc/36/81/38/556368138.db2.gz OFYBXYFMYCYEFD-UHFFFAOYSA-N 0 0 447.607 3.979 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(N(C)CCOc3ccc(F)cc3)c2c1C ZINC000032808484 556368807 /nfs/dbraw/zinc/36/88/07/556368807.db2.gz BECCSDFGSVWFGT-UHFFFAOYSA-N 0 0 430.549 3.795 50 0 IHAARN Cc1nc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)nn1-c1ccc(F)cc1 ZINC000032808760 556369408 /nfs/dbraw/zinc/36/94/08/556369408.db2.gz HBLXNZHQAXNEJP-UHFFFAOYSA-N 0 0 425.445 3.738 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000011878170 556370972 /nfs/dbraw/zinc/37/09/72/556370972.db2.gz DOGJBLZFQCWGHY-NRFANRHFSA-N 0 0 437.583 3.642 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014117111 556371245 /nfs/dbraw/zinc/37/12/45/556371245.db2.gz ZWYPTEPVUHRMLF-PMACEKPBSA-N 0 0 443.613 3.842 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1C ZINC000014128540 556373501 /nfs/dbraw/zinc/37/35/01/556373501.db2.gz VOLQYRHYBOOTSP-UHFFFAOYSA-N 0 0 438.480 3.516 50 0 IHAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C)n2)o1 ZINC000011909867 556374651 /nfs/dbraw/zinc/37/46/51/556374651.db2.gz KQBOXGIYIJFLNG-UHFFFAOYSA-N 0 0 446.486 3.641 50 0 IHAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000014135673 556375070 /nfs/dbraw/zinc/37/50/70/556375070.db2.gz XZRKTLOOESUSLV-DEOSSOPVSA-N 0 0 431.448 3.600 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000011917552 556376608 /nfs/dbraw/zinc/37/66/08/556376608.db2.gz ONHXUEBERKUXRX-MRXNPFEDSA-N 0 0 434.901 3.726 50 0 IHAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000011935295 556378400 /nfs/dbraw/zinc/37/84/00/556378400.db2.gz HIAWHPPXEZILTL-HXUWFJFHSA-N 0 0 446.555 3.937 50 0 IHAARN CCCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000014167130 556380108 /nfs/dbraw/zinc/38/01/08/556380108.db2.gz KFRBUYJGRGQAIU-UHFFFAOYSA-N 0 0 447.329 3.956 50 0 IHAARN Cc1ccc(CN(C)C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)cc1 ZINC000011963812 556381514 /nfs/dbraw/zinc/38/15/14/556381514.db2.gz HQKNLTHGBBFLLA-MHZLTWQESA-N 0 0 441.531 3.636 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000014171414 556381940 /nfs/dbraw/zinc/38/19/40/556381940.db2.gz ZBWLQEIJTDOKHK-UHFFFAOYSA-N 0 0 444.475 3.838 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(F)c(F)c2)nc1 ZINC000014183649 556383382 /nfs/dbraw/zinc/38/33/82/556383382.db2.gz WMJIFDVORCHOCK-UHFFFAOYSA-N 0 0 446.479 3.626 50 0 IHAARN O=c1c2c3c(sc2ncn1C[C@H](O)COc1ccc(Br)cc1)CCCC3 ZINC000014184107 556384030 /nfs/dbraw/zinc/38/40/30/556384030.db2.gz NAFNSHAAHDYHLJ-ZDUSSCGKSA-N 0 0 435.343 3.539 50 0 IHAARN C[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000011997772 556384670 /nfs/dbraw/zinc/38/46/70/556384670.db2.gz YWBQBTDBNCZZII-IQMFZBJNSA-N 0 0 443.931 3.877 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CN(C)Cc1ccc(Br)s1 ZINC000014185045 556385107 /nfs/dbraw/zinc/38/51/07/556385107.db2.gz YJQVQZKEEVKQMR-UHFFFAOYSA-N 0 0 426.336 3.548 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000014197073 556388853 /nfs/dbraw/zinc/38/88/53/556388853.db2.gz JXWNIGLIABKZEG-UHFFFAOYSA-N 0 0 434.970 3.843 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccc(OC(C)C)cc2)[C@H]2CCCCNC2=O)c1OC ZINC000012034816 556389540 /nfs/dbraw/zinc/38/95/40/556389540.db2.gz PIHZHOKRSATNFN-NRFANRHFSA-N 0 0 440.540 3.802 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2cc(Cl)ccc2Cl)N2CCOCC2)cc1 ZINC000014198350 556389651 /nfs/dbraw/zinc/38/96/51/556389651.db2.gz ISMUFESRSQYMLO-IBGZPJMESA-N 0 0 439.339 3.571 50 0 IHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccco2)cc1 ZINC000014198570 556389745 /nfs/dbraw/zinc/38/97/45/556389745.db2.gz FAIMXNXPMOPTNT-UHFFFAOYSA-N 0 0 428.492 3.829 50 0 IHAARN CN(Cc1ccco1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000014200079 556390820 /nfs/dbraw/zinc/39/08/20/556390820.db2.gz XJCSPEXFSYYWQG-UHFFFAOYSA-N 0 0 444.940 3.952 50 0 IHAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC[C@H]1C(=O)NCC(F)(F)F ZINC000032809571 556394496 /nfs/dbraw/zinc/39/44/96/556394496.db2.gz LYWGHGMFEZTQGM-AWEZNQCLSA-N 0 0 431.867 3.676 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)c(OC)c1OC ZINC000012057089 556394570 /nfs/dbraw/zinc/39/45/70/556394570.db2.gz OOUQCCSBUOVNDP-UHFFFAOYSA-N 0 0 439.512 3.944 50 0 IHAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 ZINC000012062095 556395215 /nfs/dbraw/zinc/39/52/15/556395215.db2.gz QADMEUCODMSIJP-IBGZPJMESA-N 0 0 446.551 3.824 50 0 IHAARN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000014227453 556395411 /nfs/dbraw/zinc/39/54/11/556395411.db2.gz IPVHCIYTPZXTDX-UHFFFAOYSA-N 0 0 436.505 3.635 50 0 IHAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 ZINC000012062100 556395510 /nfs/dbraw/zinc/39/55/10/556395510.db2.gz SBMKAUHOEPJKDG-LJQANCHMSA-N 0 0 446.551 3.968 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)COc1cc3nc(-c4ccccc4)cc(C)n3n1)OCO2 ZINC000032810259 556396434 /nfs/dbraw/zinc/39/64/34/556396434.db2.gz QMNWSRHJQUPMMF-UHFFFAOYSA-N 0 0 444.447 3.654 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000014231503 556397867 /nfs/dbraw/zinc/39/78/67/556397867.db2.gz YMSYZINMNPTWTR-XXBNENTESA-N 0 0 430.552 3.774 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCn3nc(-c4cccs4)oc3=O)n2)cc1 ZINC000014234585 556398826 /nfs/dbraw/zinc/39/88/26/556398826.db2.gz PHIGGCZUGCWDKR-UHFFFAOYSA-N 0 0 428.495 3.726 50 0 IHAARN Cc1ccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)s1 ZINC000014234838 556399166 /nfs/dbraw/zinc/39/91/66/556399166.db2.gz ZKWUPJWLJSUZJO-UHFFFAOYSA-N 0 0 438.578 3.770 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000014237104 556399696 /nfs/dbraw/zinc/39/96/96/556399696.db2.gz AXQWDQKENWACAG-OAHLLOKOSA-N 0 0 447.520 3.739 50 0 IHAARN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000014245045 556404743 /nfs/dbraw/zinc/40/47/43/556404743.db2.gz FMAYNNLBCMZXOA-CYBMUJFWSA-N 0 0 426.460 3.770 50 0 IHAARN CCCn1nc(C(=O)O[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)c2ccccc2c1=O ZINC000014246774 556406548 /nfs/dbraw/zinc/40/65/48/556406548.db2.gz KWHXKHMPWIADPD-CQSZACIVSA-N 0 0 434.452 3.783 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000014251048 556409038 /nfs/dbraw/zinc/40/90/38/556409038.db2.gz LEHXIOVKTPGYCL-INIZCTEOSA-N 0 0 437.521 3.618 50 0 IHAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(=O)Nc3ccccc3)C1)C2=O ZINC000014254036 556410120 /nfs/dbraw/zinc/41/01/20/556410120.db2.gz LYMFEOTYEZFKAH-VLNJMECTSA-N 0 0 440.588 3.822 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 ZINC000032623328 556410501 /nfs/dbraw/zinc/41/05/01/556410501.db2.gz XWWVJDPJPXZCNH-HSZRJFAPSA-N 0 0 435.524 3.852 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccnc1Sc1ccccc1 ZINC000032820396 556412224 /nfs/dbraw/zinc/41/22/24/556412224.db2.gz GRLNJLKLWWQGIP-UHFFFAOYSA-N 0 0 439.562 3.686 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012815673 556412494 /nfs/dbraw/zinc/41/24/94/556412494.db2.gz YOUIJQJVYXDGSP-ZIAGYGMSSA-N 0 0 433.401 3.899 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)OCc2cc3ccc(C)c(C)c3nc2Cl)ccc1OC ZINC000032671821 556414223 /nfs/dbraw/zinc/41/42/23/556414223.db2.gz LDSSRYYVOODDMT-UHFFFAOYSA-N 0 0 448.928 3.779 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cn2cc(Cl)ccc2n1 ZINC000032672306 556414980 /nfs/dbraw/zinc/41/49/80/556414980.db2.gz HAZWTXDCPUKIAN-UHFFFAOYSA-N 0 0 435.962 3.687 50 0 IHAARN Cc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)n(-c2cccc(Br)c2)n1 ZINC000032832100 556417248 /nfs/dbraw/zinc/41/72/48/556417248.db2.gz SBWDVOZFYQNCOF-UHFFFAOYSA-N 0 0 428.286 3.896 50 0 IHAARN Cc1cc(NC(=O)CCNC(=O)c2ccccc2)n(-c2cccc(Br)c2)n1 ZINC000032832092 556417369 /nfs/dbraw/zinc/41/73/69/556417369.db2.gz WWYPDRHPXLDVCU-UHFFFAOYSA-N 0 0 427.302 3.702 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1COC(=O)CCn1ncc(=O)c2ccccc21 ZINC000032836007 556418231 /nfs/dbraw/zinc/41/82/31/556418231.db2.gz RUJPKSRJYOHBRJ-UHFFFAOYSA-N 0 0 445.475 3.563 50 0 IHAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000032836696 556418499 /nfs/dbraw/zinc/41/84/99/556418499.db2.gz XMWXGQRTKOACGA-LBPRGKRZSA-N 0 0 427.931 3.618 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(Cc4ccccn4)CC3)cc12 ZINC000032837342 556418799 /nfs/dbraw/zinc/41/87/99/556418799.db2.gz KVFFYASQOVZGJF-UHFFFAOYSA-N 0 0 449.555 3.947 50 0 IHAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000012972303 556419118 /nfs/dbraw/zinc/41/91/18/556419118.db2.gz IHVBVNSTSYXKCV-IBGZPJMESA-N 0 0 439.364 3.731 50 0 IHAARN COc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 ZINC000032837655 556419123 /nfs/dbraw/zinc/41/91/23/556419123.db2.gz HJIZMJIHDDASHE-IRLDBZIGSA-N 0 0 448.475 3.816 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000012976438 556421953 /nfs/dbraw/zinc/42/19/53/556421953.db2.gz WDTOQSVGUUJETQ-JWDGYQHVSA-N 0 0 442.556 3.858 50 0 IHAARN COc1ccc(-n2nnnc2SC[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000012976730 556422199 /nfs/dbraw/zinc/42/21/99/556422199.db2.gz APKXLUTXUVKXAZ-CYBMUJFWSA-N 0 0 427.313 3.510 50 0 IHAARN COc1ccc(-n2nnnc2SC[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000012976728 556422204 /nfs/dbraw/zinc/42/22/04/556422204.db2.gz APKXLUTXUVKXAZ-ZDUSSCGKSA-N 0 0 427.313 3.510 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@@H](C)COc2ccccc2F)nn1-c1ccccc1C(F)(F)F 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Cc1ccc(C)c(S(=O)(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000072280419 556461781 /nfs/dbraw/zinc/46/17/81/556461781.db2.gz RSMBWXRPMKTZRP-UHFFFAOYSA-N 0 0 432.977 3.501 50 0 IHAARN CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1=O ZINC000014955750 556462022 /nfs/dbraw/zinc/46/20/22/556462022.db2.gz OMTBPACFFVFJQA-QGZVFWFLSA-N 0 0 435.499 3.665 50 0 IHAARN O=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(F)c(F)c1F ZINC000013109451 556462917 /nfs/dbraw/zinc/46/29/17/556462917.db2.gz LDYZIWCAKZWUPS-UHFFFAOYSA-N 0 0 433.411 3.786 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nccs3)cc2)C1=O ZINC000013109467 556462956 /nfs/dbraw/zinc/46/29/56/556462956.db2.gz SOMKNZWMEXNJGM-QHCPKHFHSA-N 0 0 434.521 3.692 50 0 IHAARN O=C(CCc1cnccn1)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000014964203 556464937 /nfs/dbraw/zinc/46/49/37/556464937.db2.gz QBALZCCVLFQJEU-UHFFFAOYSA-N 0 0 448.611 3.909 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCSc2ccccc21 ZINC000013112650 556465464 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O=C(NCc1ccco1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000064761654 556483986 /nfs/dbraw/zinc/48/39/86/556483986.db2.gz UVOKFCAVXSWYFT-UHFFFAOYSA-N 0 0 435.528 3.643 50 0 IHAARN COc1ccc(NC(=O)COc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000013137230 556484105 /nfs/dbraw/zinc/48/41/05/556484105.db2.gz VGKNBCPHBCVCDU-UHFFFAOYSA-N 0 0 432.542 3.504 50 0 IHAARN NC(=O)c1cc(-c2csc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)n2)c[nH]1 ZINC000029872286 556484888 /nfs/dbraw/zinc/48/48/88/556484888.db2.gz ABTCAVUFSYYBJP-UHFFFAOYSA-N 0 0 436.493 3.880 50 0 IHAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000015016231 556485486 /nfs/dbraw/zinc/48/54/86/556485486.db2.gz XULDUBFFUOOUDJ-GOSISDBHSA-N 0 0 431.286 3.829 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2F)c(Br)c1 ZINC000029940060 556487027 /nfs/dbraw/zinc/48/70/27/556487027.db2.gz QOQWVJVMOXSXGT-NSHDSACASA-N 0 0 430.295 3.804 50 0 IHAARN COc1cc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc(OC)c1 ZINC000032876543 556489152 /nfs/dbraw/zinc/48/91/52/556489152.db2.gz ZTCSVHVGGMSRTC-UHFFFAOYSA-N 0 0 448.504 3.529 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)n1 ZINC000030022494 556489599 /nfs/dbraw/zinc/48/95/99/556489599.db2.gz YCQWVGCPRSMZDK-UHFFFAOYSA-N 0 0 426.567 3.836 50 0 IHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000013149132 556490700 /nfs/dbraw/zinc/49/07/00/556490700.db2.gz KBTDLTYGLYHOAU-CYBMUJFWSA-N 0 0 448.306 3.975 50 0 IHAARN C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000030346745 556493327 /nfs/dbraw/zinc/49/33/27/556493327.db2.gz MAXCGLYJCQQCMP-GHTZIAJQSA-N 0 0 437.569 3.562 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)cc1 ZINC000030445044 556494511 /nfs/dbraw/zinc/49/45/11/556494511.db2.gz PVQTZEVNGMRIPX-OAHLLOKOSA-N 0 0 434.583 3.611 50 0 IHAARN c1ccc(-c2nc(N3CCN(c4nnnn4-c4ccccc4)CC3)nc3ccccc32)cc1 ZINC000030520564 556496673 /nfs/dbraw/zinc/49/66/73/556496673.db2.gz ILVRHVCIKHAVHW-UHFFFAOYSA-N 0 0 434.507 3.599 50 0 IHAARN Cc1csc(CC(=O)N2CCN([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)n1 ZINC000013164676 556497082 /nfs/dbraw/zinc/49/70/82/556497082.db2.gz SWHMQOQKXFOWED-XMMPIXPASA-N 0 0 448.592 3.827 50 0 IHAARN CCCCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015081565 556501324 /nfs/dbraw/zinc/50/13/24/556501324.db2.gz ZOPOOVGGZKLWPG-UHFFFAOYSA-N 0 0 445.498 3.824 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000032716867 556506243 /nfs/dbraw/zinc/50/62/43/556506243.db2.gz YTHVDFMTDVJKGO-ZDUSSCGKSA-N 0 0 444.944 3.543 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013483444 556508188 /nfs/dbraw/zinc/50/81/88/556508188.db2.gz TWMKBPCWRPEYQJ-GOSISDBHSA-N 0 0 427.522 3.888 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000032882079 556508483 /nfs/dbraw/zinc/50/84/83/556508483.db2.gz KHDPSGLTLADHHV-QHCPKHFHSA-N 0 0 439.943 3.812 50 0 IHAARN CCOc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OCC ZINC000013512059 556510614 /nfs/dbraw/zinc/51/06/14/556510614.db2.gz KQZHEXPJJRQWQU-WQRHYEAKSA-N 0 0 427.913 3.817 50 0 IHAARN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1 ZINC000013520263 556512108 /nfs/dbraw/zinc/51/21/08/556512108.db2.gz ZVEXJRQLSNLHFW-SCOAYWHSSA-N 0 0 437.587 3.532 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 ZINC000015223452 556512142 /nfs/dbraw/zinc/51/21/42/556512142.db2.gz OYOFDPDPDUNBEF-YJYMSZOUSA-N 0 0 449.334 3.849 50 0 IHAARN CCOc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000015277324 556514840 /nfs/dbraw/zinc/51/48/40/556514840.db2.gz IRGKRIAVSCMUEE-UHFFFAOYSA-N 0 0 446.262 3.579 50 0 IHAARN C[C@@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013551675 556515220 /nfs/dbraw/zinc/51/52/20/556515220.db2.gz FCLSLXNMGZANJM-SECBINFHSA-N 0 0 435.340 3.981 50 0 IHAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1Br ZINC000013556355 556516539 /nfs/dbraw/zinc/51/65/39/556516539.db2.gz OLZWZBKLVUXZCZ-UHFFFAOYSA-N 0 0 430.302 3.651 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000013556694 556516876 /nfs/dbraw/zinc/51/68/76/556516876.db2.gz GLRBRGKHYINNPQ-ULUCGAEXSA-N 0 0 443.613 3.578 50 0 IHAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032718824 556517449 /nfs/dbraw/zinc/51/74/49/556517449.db2.gz XZJSHFHCGINFDL-LJQANCHMSA-N 0 0 440.590 3.974 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000015307365 556518217 /nfs/dbraw/zinc/51/82/17/556518217.db2.gz FYADZYKKODARKU-IBGZPJMESA-N 0 0 449.532 3.594 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000015309329 556518278 /nfs/dbraw/zinc/51/82/78/556518278.db2.gz UJGXNUYKEATLDM-UHFFFAOYSA-N 0 0 443.569 3.722 50 0 IHAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000030971585 556518361 /nfs/dbraw/zinc/51/83/61/556518361.db2.gz LPIVJIZJJFCHEQ-CYBMUJFWSA-N 0 0 426.479 3.597 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000032891455 556519178 /nfs/dbraw/zinc/51/91/78/556519178.db2.gz VVWBDVGHMKVAQH-MRXNPFEDSA-N 0 0 440.714 3.849 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2ncccc2c1=O ZINC000032891519 556519280 /nfs/dbraw/zinc/51/92/80/556519280.db2.gz FACJCHWSPBZDEC-UHFFFAOYSA-N 0 0 446.532 3.836 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC000032894277 556521813 /nfs/dbraw/zinc/52/18/13/556521813.db2.gz QYMJBDLLEIAAKO-UHFFFAOYSA-N 0 0 428.444 3.706 50 0 IHAARN Cc1nn(CC(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12 ZINC000013570938 556522267 /nfs/dbraw/zinc/52/22/67/556522267.db2.gz CBRWCZDPKLGIFA-UHFFFAOYSA-N 0 0 429.299 3.716 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Br)s1 ZINC000015365269 556523396 /nfs/dbraw/zinc/52/33/96/556523396.db2.gz BANLYWIKBCACTG-UHFFFAOYSA-N 0 0 426.361 3.576 50 0 IHAARN CN1CCN(C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)CC1 ZINC000013574196 556524620 /nfs/dbraw/zinc/52/46/20/556524620.db2.gz IBUSJDQPKCWIEP-UHFFFAOYSA-N 0 0 429.855 3.518 50 0 IHAARN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(OCCCC)c(OCC)c1 ZINC000004425898 556526748 /nfs/dbraw/zinc/52/67/48/556526748.db2.gz LATGRPPUJOMKJS-FQEVSTJZSA-N 0 0 429.521 3.883 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000013577235 556526797 /nfs/dbraw/zinc/52/67/97/556526797.db2.gz CNLPWOJEOUOOOK-VWLOTQADSA-N 0 0 435.451 3.850 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)N2CCOCC2)cc1 ZINC000032900200 556528924 /nfs/dbraw/zinc/52/89/24/556528924.db2.gz KJYWWHLJUHBLHU-RUZDIDTESA-N 0 0 442.515 3.710 50 0 IHAARN COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC ZINC000015463651 556529205 /nfs/dbraw/zinc/52/92/05/556529205.db2.gz NULVEMJBDUDRIU-KRWDZBQOSA-N 0 0 446.569 3.539 50 0 IHAARN CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccc(Cl)cc1 ZINC000013592339 556530359 /nfs/dbraw/zinc/53/03/59/556530359.db2.gz CSLYRKLLSCMRJM-IBGZPJMESA-N 0 0 439.947 3.950 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4oc(=O)cc(C)c4cc3Cl)c2c1 ZINC000013592871 556530951 /nfs/dbraw/zinc/53/09/51/556530951.db2.gz JTDAEIAXRCXJBB-UHFFFAOYSA-N 0 0 440.883 3.982 50 0 IHAARN Cc1sc2nc([C@H](C)N3CCC(C(=O)Nc4ccccc4O)CC3)[nH]c(=O)c2c1C ZINC000015507439 556531947 /nfs/dbraw/zinc/53/19/47/556531947.db2.gz ZMXXJYJLKPUUJJ-ZDUSSCGKSA-N 0 0 426.542 3.719 50 0 IHAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000015545982 556534052 /nfs/dbraw/zinc/53/40/52/556534052.db2.gz BPVCOMPQVSUFNU-FQEVSTJZSA-N 0 0 447.457 3.924 50 0 IHAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000015552168 556534269 /nfs/dbraw/zinc/53/42/69/556534269.db2.gz CEZFVVBYRQXDPO-UHFFFAOYSA-N 0 0 426.192 3.817 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000015590214 556536582 /nfs/dbraw/zinc/53/65/82/556536582.db2.gz XVBIWPSHPTXGMF-UHFFFAOYSA-N 0 0 449.507 3.661 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013628045 556537755 /nfs/dbraw/zinc/53/77/55/556537755.db2.gz BFPJJNKRFHRPIM-KRWDZBQOSA-N 0 0 429.325 3.794 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(Cl)cc1Cl ZINC000013628454 556538263 /nfs/dbraw/zinc/53/82/63/556538263.db2.gz ODPUEKXGAOWSMJ-SFHVURJKSA-N 0 0 434.323 3.553 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000013629895 556538821 /nfs/dbraw/zinc/53/88/21/556538821.db2.gz PUTPTFFCQDTWGM-LJQANCHMSA-N 0 0 443.569 3.808 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1C1CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000013637488 556541520 /nfs/dbraw/zinc/54/15/20/556541520.db2.gz FVBQGUKBBOKVOR-MRXNPFEDSA-N 0 0 443.916 3.623 50 0 IHAARN COc1cc(-c2noc(CCC(=O)Nc3cccc4ncccc43)n2)cc(OC)c1OC ZINC000013653890 556545776 /nfs/dbraw/zinc/54/57/76/556545776.db2.gz VZDOEKBVUDIECR-UHFFFAOYSA-N 0 0 434.452 3.882 50 0 IHAARN CCOC(=O)c1c(NC(=S)N2CCCCC2)sc2c1CCN(C(=O)OCC)C2 ZINC000013658517 556546292 /nfs/dbraw/zinc/54/62/92/556546292.db2.gz OQPVBCGGPSUTIR-UHFFFAOYSA-N 0 0 425.576 3.622 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCC[C@H]1c1cccs1 ZINC000032721827 556547361 /nfs/dbraw/zinc/54/73/61/556547361.db2.gz PTAACPWKHGKFAO-INIZCTEOSA-N 0 0 437.550 3.626 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccccc4C)C3)n2)cc1OC ZINC000015726145 556547532 /nfs/dbraw/zinc/54/75/32/556547532.db2.gz YKOIJKSDYRILQB-GOSISDBHSA-N 0 0 436.512 3.913 50 0 IHAARN Cc1ccc(-c2noc3ncn(CCC(=O)NCc4ccc(OC(C)C)cc4)c(=O)c32)cc1 ZINC000032933689 556549530 /nfs/dbraw/zinc/54/95/30/556549530.db2.gz PPBCUYLVWRUFPK-UHFFFAOYSA-N 0 0 446.507 3.854 50 0 IHAARN CCN(CC)C(=S)SCC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C1CC1 ZINC000022967645 556553545 /nfs/dbraw/zinc/55/35/45/556553545.db2.gz KQWQYWTVYQZKGK-GOSISDBHSA-N 0 0 433.599 3.702 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000032905828 556556806 /nfs/dbraw/zinc/55/68/06/556556806.db2.gz BWUIPQDBSVMWSZ-CQSZACIVSA-N 0 0 440.418 3.984 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1ccccc1Sc1nc(Br)nn1C ZINC000015869059 556559668 /nfs/dbraw/zinc/55/96/68/556559668.db2.gz XIOZFQLWUWPVIO-UHFFFAOYSA-N 0 0 449.330 3.998 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(F)c(C)c1 ZINC000072306773 556560248 /nfs/dbraw/zinc/56/02/48/556560248.db2.gz KVSUODGPOYXNLG-GOSISDBHSA-N 0 0 433.277 3.892 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)OCCC(C)C ZINC000072306763 556560363 /nfs/dbraw/zinc/56/03/63/556560363.db2.gz GIGIIIAJRNJHJJ-ACJLOTCBSA-N 0 0 439.350 3.582 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc2[nH]c(=O)c(Cc3ccccc3)nn21 ZINC000015882055 556560831 /nfs/dbraw/zinc/56/08/31/556560831.db2.gz AFTFJSORZPBFNK-UHFFFAOYSA-N 0 0 440.916 3.508 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCc1csc(CC(=O)NC)n1)C[C@@H](C)CC3 ZINC000072307084 556561258 /nfs/dbraw/zinc/56/12/58/556561258.db2.gz OXDRCPMLBTXEEJ-NSHDSACASA-N 0 0 448.639 3.640 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000015895809 556562260 /nfs/dbraw/zinc/56/22/60/556562260.db2.gz ZICWYZHINYZNTN-INIZCTEOSA-N 0 0 439.331 3.676 50 0 IHAARN CN(C)C(=O)CN(C)[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000072309051 556570225 /nfs/dbraw/zinc/57/02/25/556570225.db2.gz FYWPBELOLNMAFS-FQEVSTJZSA-N 0 0 426.517 3.649 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989524 556571421 /nfs/dbraw/zinc/57/14/21/556571421.db2.gz XMPMGJJQSQPGEC-IYWMVGAKSA-N 0 0 437.293 3.554 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000015999060 556572470 /nfs/dbraw/zinc/57/24/70/556572470.db2.gz GNLHLFDVWOHLNE-IUODEOHRSA-N 0 0 427.498 3.795 50 0 IHAARN Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cn21 ZINC000016000531 556572481 /nfs/dbraw/zinc/57/24/81/556572481.db2.gz RORNTCWPFFQVNY-UHFFFAOYSA-N 0 0 434.521 3.716 50 0 IHAARN Cc1ccccc1OCCSCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000032909399 556573311 /nfs/dbraw/zinc/57/33/11/556573311.db2.gz NPXRDBWEYLWRAI-UHFFFAOYSA-N 0 0 436.599 3.613 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 ZINC000016016587 556574471 /nfs/dbraw/zinc/57/44/71/556574471.db2.gz QYHUYHTYQNBSJQ-CYBMUJFWSA-N 0 0 438.347 3.517 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)c12 ZINC000032909878 556577728 /nfs/dbraw/zinc/57/77/28/556577728.db2.gz KYWRTXBGVBCIFL-UHFFFAOYSA-N 0 0 430.417 3.554 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCCOc1ccc(F)cc1 ZINC000032910737 556584422 /nfs/dbraw/zinc/58/44/22/556584422.db2.gz UKZFPFYXKXPSQE-IBGZPJMESA-N 0 0 443.924 3.794 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1 ZINC000032913100 556587193 /nfs/dbraw/zinc/58/71/93/556587193.db2.gz GVRVHZKSPHARBJ-HNNXBMFYSA-N 0 0 442.006 3.778 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC(F)F)cc1 ZINC000032967190 556587440 /nfs/dbraw/zinc/58/74/40/556587440.db2.gz CSVODPAWXGOVGB-KRWDZBQOSA-N 0 0 435.423 3.608 50 0 IHAARN CC(C)(NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000060247422 556588265 /nfs/dbraw/zinc/58/82/65/556588265.db2.gz FDRLSNZDVWUBRY-UHFFFAOYSA-N 0 0 426.325 3.710 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1OC ZINC000016192659 556588762 /nfs/dbraw/zinc/58/87/62/556588762.db2.gz DKMUYJVEJPJPEQ-UHFFFAOYSA-N 0 0 447.329 3.957 50 0 IHAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)C1=O ZINC000032970844 556588803 /nfs/dbraw/zinc/58/88/03/556588803.db2.gz NPIKUFTZJXZHNM-HSZRJFAPSA-N 0 0 440.931 3.736 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)c1C ZINC000032970885 556588834 /nfs/dbraw/zinc/58/88/34/556588834.db2.gz NEGLQHYFZLXSIN-XMSQKQJNSA-N 0 0 436.508 3.551 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 ZINC000032913298 556590622 /nfs/dbraw/zinc/59/06/22/556590622.db2.gz VARDXZIPDLKIBZ-BEFAXECRSA-N 0 0 445.354 3.639 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(Cl)c(Cl)cc1Cl ZINC000016248307 556594226 /nfs/dbraw/zinc/59/42/26/556594226.db2.gz WLKZLAWPRMBQOX-UHFFFAOYSA-N 0 0 435.760 3.772 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000016262078 556595161 /nfs/dbraw/zinc/59/51/61/556595161.db2.gz UJYYAFFCXXBHLV-MJGOQNOKSA-N 0 0 426.929 3.782 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnnn2C2CCCCC2)c1 ZINC000016295538 556598927 /nfs/dbraw/zinc/59/89/27/556598927.db2.gz KRBUNDAWUKFIAT-GOSISDBHSA-N 0 0 431.562 3.651 50 0 IHAARN Cc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@@H]3C)nc2-c2cccs2)cc1 ZINC000016311650 556599598 /nfs/dbraw/zinc/59/95/98/556599598.db2.gz QRGFGBXLXHHYNY-IYBDPMFKSA-N 0 0 433.541 3.770 50 0 IHAARN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCc3ccccc3C2)c1O ZINC000032975406 556600173 /nfs/dbraw/zinc/60/01/73/556600173.db2.gz FGFSEQJDVLXRHW-UHFFFAOYSA-N 0 0 426.472 3.695 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000016347222 556601562 /nfs/dbraw/zinc/60/15/62/556601562.db2.gz AYWJWIDKXGMBEB-UHFFFAOYSA-N 0 0 429.767 3.922 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000032986988 556606762 /nfs/dbraw/zinc/60/67/62/556606762.db2.gz ONWKANKCMIBMSD-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN Cc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)o1 ZINC000032987129 556606913 /nfs/dbraw/zinc/60/69/13/556606913.db2.gz PFSDOODXWWIMPV-UHFFFAOYSA-N 0 0 436.946 3.895 50 0 IHAARN O=S(=O)(Cc1ccccc1)N1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000071890647 556608418 /nfs/dbraw/zinc/60/84/18/556608418.db2.gz OVDYCVABMRVCIH-IBGZPJMESA-N 0 0 427.501 3.975 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccc(Cl)cc1 ZINC000016448260 556608482 /nfs/dbraw/zinc/60/84/82/556608482.db2.gz SFBALCGKDHCHLV-UHFFFAOYSA-N 0 0 434.989 3.583 50 0 IHAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000032988545 556609034 /nfs/dbraw/zinc/60/90/34/556609034.db2.gz OSBOXJXIUVFMGU-SFHVURJKSA-N 0 0 439.581 3.963 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccccc2)s1)NCCCc1ccccc1 ZINC000032987202 556609486 /nfs/dbraw/zinc/60/94/86/556609486.db2.gz DYYJSKQXAQHWLP-UHFFFAOYSA-N 0 0 426.567 3.773 50 0 IHAARN O=C(COc1ccc(N2CCCC2=O)cc1)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000016465030 556609665 /nfs/dbraw/zinc/60/96/65/556609665.db2.gz CWFOUKBVTVZVGD-UHFFFAOYSA-N 0 0 427.844 3.639 50 0 IHAARN CCCCOc1cc(Br)c([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC ZINC000016474776 556610252 /nfs/dbraw/zinc/61/02/52/556610252.db2.gz FMNLHPZEJHPWGE-INIZCTEOSA-N 0 0 443.363 3.602 50 0 IHAARN COc1cc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc(OC)c1 ZINC000038486555 556612862 /nfs/dbraw/zinc/61/28/62/556612862.db2.gz QRNBPWUTNKLKCN-UHFFFAOYSA-N 0 0 439.468 3.920 50 0 IHAARN COc1cccc(NC(=O)CN(C)[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 ZINC000016622957 556618238 /nfs/dbraw/zinc/61/82/38/556618238.db2.gz ARYAKDKHTHUUKX-XMMPIXPASA-N 0 0 433.508 3.954 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)s2)cc1 ZINC000016648972 556620360 /nfs/dbraw/zinc/62/03/60/556620360.db2.gz JNNMHTYTKBCQBS-UHFFFAOYSA-N 0 0 442.566 3.690 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)cccc3F)n2)ccc1C ZINC000016651108 556620670 /nfs/dbraw/zinc/62/06/70/556620670.db2.gz BCNRANSFWNMJAF-CYBMUJFWSA-N 0 0 426.423 3.655 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000032999101 556627314 /nfs/dbraw/zinc/62/73/14/556627314.db2.gz CBKLJUGBAOSNTP-UHFFFAOYSA-N 0 0 447.495 3.755 50 0 IHAARN Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000039383751 556628512 /nfs/dbraw/zinc/62/85/12/556628512.db2.gz FLJIDMYCUJCDKZ-UHFFFAOYSA-N 0 0 430.556 3.595 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000016700019 556629450 /nfs/dbraw/zinc/62/94/50/556629450.db2.gz QTFJTJFBEOYLEW-LFIBNONCSA-N 0 0 428.311 3.527 50 0 IHAARN CCOc1ccc(-n2c(SCC(=O)OC)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000016713473 556630531 /nfs/dbraw/zinc/63/05/31/556630531.db2.gz QHOIPNGCOBNXPR-UHFFFAOYSA-N 0 0 430.551 3.990 50 0 IHAARN COc1ccc(-c2nc3s/c(=C/c4ccc(OCc5ccccc5)cc4)c(=O)n3n2)cc1 ZINC000016728969 556630943 /nfs/dbraw/zinc/63/09/43/556630943.db2.gz ACNAZASPHXHFKF-PXLXIMEGSA-N 0 0 441.512 3.953 50 0 IHAARN O=c1/c(=C/c2ccc(-c3cccc(Br)c3)o2)sc2nc(-c3ccco3)nn12 ZINC000016737162 556633853 /nfs/dbraw/zinc/63/38/53/556633853.db2.gz RCHBCLMKIJXMER-YBEGLDIGSA-N 0 0 440.278 3.981 50 0 IHAARN COCc1nn2c(nnc3c2ccn(CCc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392137 556638147 /nfs/dbraw/zinc/63/81/47/556638147.db2.gz QXWZWPTYKOAKRU-UHFFFAOYSA-N 0 0 429.455 3.634 50 0 IHAARN COCc1nn2c(nnc3c2ccn(Cc2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396094 556638727 /nfs/dbraw/zinc/63/87/27/556638727.db2.gz OOMDAIHYJBPAOA-UHFFFAOYSA-N 0 0 431.883 3.954 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000247921448 556643193 /nfs/dbraw/zinc/64/31/93/556643193.db2.gz NXXMKOFORGUWMC-NVVBAYIOSA-N 0 0 425.916 3.927 50 0 IHAARN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719651 556644751 /nfs/dbraw/zinc/64/47/51/556644751.db2.gz QOVODGZVULDNIG-MRXNPFEDSA-N 0 0 435.615 3.641 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)s1 ZINC000016810575 556644778 /nfs/dbraw/zinc/64/47/78/556644778.db2.gz XHQGBQHPMNXGEJ-UHFFFAOYSA-N 0 0 429.567 3.693 50 0 IHAARN C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016833131 556645384 /nfs/dbraw/zinc/64/53/84/556645384.db2.gz JSXAMQRJJDYUKA-CYBMUJFWSA-N 0 0 428.535 3.696 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C ZINC000016840940 556645883 /nfs/dbraw/zinc/64/58/83/556645883.db2.gz ZRAXAUADJVZMHS-UHFFFAOYSA-N 0 0 434.521 3.976 50 0 IHAARN Cn1c2ccccc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000011726412 556646820 /nfs/dbraw/zinc/64/68/20/556646820.db2.gz WEKHQKQHMONUAF-QURGRASLSA-N 0 0 429.567 3.546 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3nnc(CNC(=O)c4cccs4)o3)sc2c1 ZINC000011726728 556647978 /nfs/dbraw/zinc/64/79/78/556647978.db2.gz SURRMUOLWIDUED-UHFFFAOYSA-N 0 0 445.551 3.710 50 0 IHAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3nc4ccccc4n3C)o2)cc1 ZINC000033004646 556654782 /nfs/dbraw/zinc/65/47/82/556654782.db2.gz HTWVEMZHJGBGPY-AWEZNQCLSA-N 0 0 437.525 3.992 50 0 IHAARN O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000033007173 556655948 /nfs/dbraw/zinc/65/59/48/556655948.db2.gz WOMXIMDXYMBFIE-UHFFFAOYSA-N 0 0 443.569 3.640 50 0 IHAARN Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NCc4cccs4)CC3)nn21 ZINC000033010135 556657962 /nfs/dbraw/zinc/65/79/62/556657962.db2.gz QKWNKJBVVYILBR-UHFFFAOYSA-N 0 0 432.553 3.694 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Br)o2)n1 ZINC000011854462 556661717 /nfs/dbraw/zinc/66/17/17/556661717.db2.gz KKHLVVRYYBJKHH-UHFFFAOYSA-N 0 0 446.286 3.600 50 0 IHAARN CCN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CC1 ZINC000033013604 556663118 /nfs/dbraw/zinc/66/31/18/556663118.db2.gz SOEIVKKPXNIDTG-UHFFFAOYSA-N 0 0 441.988 3.844 50 0 IHAARN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H](C(N)=O)CC[C@H]3C)n2)CCC4)CC1 ZINC000248112037 556664413 /nfs/dbraw/zinc/66/44/13/556664413.db2.gz RDOMOYQTZHFDBA-CVEARBPZSA-N 0 0 427.618 3.502 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000011865518 556665289 /nfs/dbraw/zinc/66/52/89/556665289.db2.gz NWJMSRDOHGYAJX-UHFFFAOYSA-N 0 0 433.869 3.661 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000044803338 556667809 /nfs/dbraw/zinc/66/78/09/556667809.db2.gz DXVXYWGEFSLLRC-UHFFFAOYSA-N 0 0 441.528 3.883 50 0 IHAARN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(C)cc2)on1)[C@H]1CCS(=O)(=O)C1 ZINC000011917541 556674706 /nfs/dbraw/zinc/67/47/06/556674706.db2.gz XONWNTYPRZQFSC-KRWDZBQOSA-N 0 0 430.551 3.849 50 0 IHAARN O=C(Nc1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000032932930 556676136 /nfs/dbraw/zinc/67/61/36/556676136.db2.gz NHEFAQAXGWTZBR-QFIPXVFZSA-N 0 0 438.505 3.506 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 ZINC000100815434 556676572 /nfs/dbraw/zinc/67/65/72/556676572.db2.gz RIQZRSZORYOEAT-AOOFFHDXSA-N 0 0 443.594 3.648 50 0 IHAARN Cc1ccc(N2N=C(C(=O)OCc3cc(=O)oc4cc(O)ccc34)CCC2=O)cc1Cl ZINC000011954502 556676831 /nfs/dbraw/zinc/67/68/31/556676831.db2.gz PCQGIOVXYFLTEN-UHFFFAOYSA-N 0 0 440.839 3.687 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 ZINC000010626000 556682011 /nfs/dbraw/zinc/68/20/11/556682011.db2.gz JZDWBHJZMVCGQT-UHFFFAOYSA-N 0 0 431.901 3.946 50 0 IHAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4ccccc43)ccc2C)cc1 ZINC000018106259 556684128 /nfs/dbraw/zinc/68/41/28/556684128.db2.gz YCVQALPGPCHFTO-UHFFFAOYSA-N 0 0 448.504 3.658 50 0 IHAARN CC(C)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)c(C(C)C)c1 ZINC000032937419 556689989 /nfs/dbraw/zinc/68/99/89/556689989.db2.gz VGVSQXPQYMRTAT-UHFFFAOYSA-N 0 0 436.600 3.810 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccccc1OC(F)F ZINC000010643815 556691129 /nfs/dbraw/zinc/69/11/29/556691129.db2.gz PMHYLKZKIYDAEZ-UHFFFAOYSA-N 0 0 427.498 3.987 50 0 IHAARN Cc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000046153619 556693343 /nfs/dbraw/zinc/69/33/43/556693343.db2.gz LECLXVBRBFGHDM-UHFFFAOYSA-N 0 0 447.289 3.855 50 0 IHAARN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137719433 556698051 /nfs/dbraw/zinc/69/80/51/556698051.db2.gz XDXJZBUCGIEITE-YTFSRNRJSA-N 0 0 442.471 3.520 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137799619 556698385 /nfs/dbraw/zinc/69/83/85/556698385.db2.gz ARZHICNHPZMVIN-YTFSRNRJSA-N 0 0 430.460 3.755 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000033029025 556709275 /nfs/dbraw/zinc/70/92/75/556709275.db2.gz BUSLIBUYWFVVAM-QHCPKHFHSA-N 0 0 432.520 3.910 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031649 556710821 /nfs/dbraw/zinc/71/08/21/556710821.db2.gz DRYNABVESIHDID-UHFFFAOYSA-N 0 0 435.455 3.989 50 0 IHAARN Cc1oc2c(ccc3c2CN([C@@H]2CCS(=O)(=O)C2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000013692680 556712036 /nfs/dbraw/zinc/71/20/36/556712036.db2.gz DOGGGXRDGGCNEM-MRXNPFEDSA-N 0 0 445.924 3.761 50 0 IHAARN COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 ZINC000052542163 556718961 /nfs/dbraw/zinc/71/89/61/556718961.db2.gz YJZYDPRMWYWYCG-UHFFFAOYSA-N 0 0 434.515 3.698 50 0 in-vitro IHAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000033037324 556722761 /nfs/dbraw/zinc/72/27/61/556722761.db2.gz QSQPZWHFSSKRHE-NRFANRHFSA-N 0 0 436.487 3.854 50 0 IHAARN Cc1ccc(CCNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 ZINC000072328611 556726090 /nfs/dbraw/zinc/72/60/90/556726090.db2.gz KEWWEGIMFSZXBS-UHFFFAOYSA-N 0 0 430.512 3.896 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011146467 556729518 /nfs/dbraw/zinc/72/95/18/556729518.db2.gz FZXVMSKUETZGNI-UHFFFAOYSA-N 0 0 434.427 3.970 50 0 IHAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 ZINC000061721827 556730074 /nfs/dbraw/zinc/73/00/74/556730074.db2.gz UAVADKXSALVQDY-CQSZACIVSA-N 0 0 433.873 3.828 50 0 IHAARN COc1cccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)c1 ZINC000055107724 556734858 /nfs/dbraw/zinc/73/48/58/556734858.db2.gz YKKPQIQCKYUUCF-NRFANRHFSA-N 0 0 439.585 3.785 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cc(F)cc(F)c4)oc3C)CC2)cc1 ZINC000055212043 556738051 /nfs/dbraw/zinc/73/80/51/556738051.db2.gz FLQQPKPZGNTJOI-UHFFFAOYSA-N 0 0 427.451 3.895 50 0 IHAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)CC1 ZINC000055245123 556738609 /nfs/dbraw/zinc/73/86/09/556738609.db2.gz YYGAAHDCQQYORB-OAQYLSRUSA-N 0 0 432.568 3.614 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 ZINC000005217528 556741365 /nfs/dbraw/zinc/74/13/65/556741365.db2.gz KPUTUTOASGKPLY-SDUSCBPUSA-N 0 0 430.589 3.821 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1OC ZINC000033048960 556746119 /nfs/dbraw/zinc/74/61/19/556746119.db2.gz CBTUXVSUOHZVHR-QGZVFWFLSA-N 0 0 443.503 3.958 50 0 IHAARN CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 ZINC000057256237 556747212 /nfs/dbraw/zinc/74/72/12/556747212.db2.gz KNPYMOWDLIKHOY-FXAWDEMLSA-N 0 0 438.549 3.745 50 0 IHAARN c1nn(-c2ccccc2)cc1CCN(Cc1nc(C2CC2)no1)Cc1nc(C2CC2)no1 ZINC000057996213 556751692 /nfs/dbraw/zinc/75/16/92/556751692.db2.gz XRZIODSRVYGXBQ-UHFFFAOYSA-N 0 0 431.500 3.638 50 0 IHAARN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000057996505 556751763 /nfs/dbraw/zinc/75/17/63/556751763.db2.gz APHNVLSREYDQGY-GDZNZVCISA-N 0 0 427.530 3.816 50 0 IHAARN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000058004185 556752317 /nfs/dbraw/zinc/75/23/17/556752317.db2.gz LLWUQGDYYIEZSN-UHFFFAOYSA-N 0 0 428.551 3.578 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011159327 556753028 /nfs/dbraw/zinc/75/30/28/556753028.db2.gz ACHAVXCIURMOSW-UHFFFAOYSA-N 0 0 438.549 3.849 50 0 IHAARN C[C@H](OC(=O)c1cccc(-n2cc(Br)cn2)c1)C(=O)N(C)c1ccccc1 ZINC000058014175 556753469 /nfs/dbraw/zinc/75/34/69/556753469.db2.gz POQCDXWWAYNFKP-AWEZNQCLSA-N 0 0 428.286 3.843 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](O)COc1c(C)cccc1C ZINC000058028728 556754799 /nfs/dbraw/zinc/75/47/99/556754799.db2.gz MLOLKDGECDKPSR-GOSISDBHSA-N 0 0 441.553 3.765 50 0 IHAARN O=C(NC(N1CCOCC1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000019419484 556755446 /nfs/dbraw/zinc/75/54/46/556755446.db2.gz ZIJNWDZXXVFEDN-UHFFFAOYSA-N 0 0 425.156 3.876 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccccc1 ZINC000058066694 556756572 /nfs/dbraw/zinc/75/65/72/556756572.db2.gz UEGAEHUQOBBTFO-SFHVURJKSA-N 0 0 441.509 3.650 50 0 IHAARN CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058159072 556763822 /nfs/dbraw/zinc/76/38/22/556763822.db2.gz MGHMCQSQFHRBKH-MRXNPFEDSA-N 0 0 432.362 3.997 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2)cc1 ZINC000062001857 556764599 /nfs/dbraw/zinc/76/45/99/556764599.db2.gz AGVXJYMIVQWOGG-QUCCMNQESA-N 0 0 444.535 3.907 50 0 biogenic IHAARN O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)NCc1ccc(C(F)(F)F)cc1 ZINC000062006880 556764925 /nfs/dbraw/zinc/76/49/25/556764925.db2.gz VULDDPQSPWNCPM-UHFFFAOYSA-N 0 0 444.457 3.722 50 0 IHAARN COc1ccccc1Nc1nnc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 ZINC000062007196 556765298 /nfs/dbraw/zinc/76/52/98/556765298.db2.gz DXLGLXLWCZAGEE-UHFFFAOYSA-N 0 0 437.569 3.798 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1=O ZINC000005335179 556765631 /nfs/dbraw/zinc/76/56/31/556765631.db2.gz VISFBPGDXDLXGJ-KRWDZBQOSA-N 0 0 427.545 3.510 50 0 IHAARN Cc1[nH]c2c(cc(C)cc2CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1C ZINC000058173788 556768906 /nfs/dbraw/zinc/76/89/06/556768906.db2.gz QTFLVUVGWFWDOT-UHFFFAOYSA-N 0 0 440.974 3.629 50 0 IHAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000058194355 556770205 /nfs/dbraw/zinc/77/02/05/556770205.db2.gz REMZBZSSXSWNJP-PXAZEXFGSA-N 0 0 431.514 3.603 50 0 IHAARN COC(=O)c1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000058197625 556770921 /nfs/dbraw/zinc/77/09/21/556770921.db2.gz KMGZOPHTSLXVSY-GOSISDBHSA-N 0 0 449.429 3.977 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000058202173 556771220 /nfs/dbraw/zinc/77/12/20/556771220.db2.gz USGQALWKOYODFS-CYBMUJFWSA-N 0 0 429.498 3.765 50 0 IHAARN COc1ccc([C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 ZINC000058203120 556771726 /nfs/dbraw/zinc/77/17/26/556771726.db2.gz AHBLLUMPCJMJII-HSZRJFAPSA-N 0 0 438.549 3.699 50 0 IHAARN COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)c2ccccc2)cc1 ZINC000058251614 556775911 /nfs/dbraw/zinc/77/59/11/556775911.db2.gz UUJYZWIGAVDIOR-KSFYIVLOSA-N 0 0 428.492 3.596 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)COCC(F)(F)F)c2)cc1 ZINC000058291616 556777826 /nfs/dbraw/zinc/77/78/26/556777826.db2.gz HLRHWYGDBMBWSH-HNNXBMFYSA-N 0 0 444.475 3.801 50 0 IHAARN Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)c(C)o1 ZINC000058292446 556778104 /nfs/dbraw/zinc/77/81/04/556778104.db2.gz UJBNAOANEDSKFI-FPTDNZKUSA-N 0 0 427.526 3.581 50 0 IHAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@H](C)O1 ZINC000058305286 556778825 /nfs/dbraw/zinc/77/88/25/556778825.db2.gz QVOZTSZOTHUJIZ-HDICACEKSA-N 0 0 438.528 3.754 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000058313917 556780446 /nfs/dbraw/zinc/78/04/46/556780446.db2.gz LRRFFCKKGFKDBE-NRFANRHFSA-N 0 0 440.569 3.581 50 0 IHAARN CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCN(c3cc(Cl)ccc3OC)C1)=C2 ZINC000058341645 556781784 /nfs/dbraw/zinc/78/17/84/556781784.db2.gz ILMJFYWXBMJZQX-GOSISDBHSA-N 0 0 428.916 3.918 50 0 IHAARN CCCC(=O)NC[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000058341892 556781913 /nfs/dbraw/zinc/78/19/13/556781913.db2.gz RWGOFXCVPPIQSG-HXUWFJFHSA-N 0 0 448.629 3.545 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000058434074 556788119 /nfs/dbraw/zinc/78/81/19/556788119.db2.gz OYOZSUMUKCAOIU-UHFFFAOYSA-N 0 0 445.566 3.567 50 0 IHAARN Cc1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000058582603 556790251 /nfs/dbraw/zinc/79/02/51/556790251.db2.gz BSQPFXRMKNUHSI-NSHDSACASA-N 0 0 433.839 3.740 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC ZINC000019549550 556794680 /nfs/dbraw/zinc/79/46/80/556794680.db2.gz VAVAUBPUWOSJHM-UHFFFAOYSA-N 0 0 438.446 3.689 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1C ZINC000002629010 556801116 /nfs/dbraw/zinc/80/11/16/556801116.db2.gz NUTAZMYZCZYFSR-UHFFFAOYSA-N 0 0 427.353 3.757 50 0 IHAARN C[C@H](NC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000005445401 556803859 /nfs/dbraw/zinc/80/38/59/556803859.db2.gz XGUZWURWQNRJTP-HILYYZTDSA-N 0 0 425.595 3.605 50 0 IHAARN CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(SCCCc3ccccc3)s2)C1 ZINC000059745603 556803914 /nfs/dbraw/zinc/80/39/14/556803914.db2.gz MDKJIJYIZUZJHW-MRXNPFEDSA-N 0 0 433.603 3.595 50 0 IHAARN CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000060030128 556806079 /nfs/dbraw/zinc/80/60/79/556806079.db2.gz LCHDTZLTVSRDTI-UHFFFAOYSA-N 0 0 427.320 3.860 50 0 IHAARN Cc1cc(I)ccc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl ZINC000003275778 556807764 /nfs/dbraw/zinc/80/77/64/556807764.db2.gz WKBZLFJMKJLXAR-ZDUSSCGKSA-N 0 0 442.080 3.665 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CNCc1ccco1 ZINC000003306102 556809126 /nfs/dbraw/zinc/80/91/26/556809126.db2.gz MFKYFUNMZPBMBX-UHFFFAOYSA-N 0 0 444.509 3.930 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCCC2)oc1C ZINC000097940893 556810796 /nfs/dbraw/zinc/81/07/96/556810796.db2.gz CPKISVFXZSDQCE-UHFFFAOYSA-N 0 0 442.541 3.819 50 0 IHAARN COC(=O)c1ccc([C@@H]2NC(=S)N(CC(C)C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011204049 556812057 /nfs/dbraw/zinc/81/20/57/556812057.db2.gz OFYNTQGAZWBILL-IBGZPJMESA-N 0 0 442.541 3.570 50 0 IHAARN Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000003328974 556812355 /nfs/dbraw/zinc/81/23/55/556812355.db2.gz CMANJNHAMGWIDL-UHFFFAOYSA-N 0 0 439.249 3.550 50 0 IHAARN Cc1c(C(=O)NCCn2ccc3cc(Br)ccc32)sc2[nH]c(C)nc(=O)c12 ZINC000072402639 556816777 /nfs/dbraw/zinc/81/67/77/556816777.db2.gz CFUXSSXUDQIGJQ-UHFFFAOYSA-N 0 0 445.342 3.749 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000033061323 556817014 /nfs/dbraw/zinc/81/70/14/556817014.db2.gz AUCUYQFQDKLXTH-UHFFFAOYSA-N 0 0 438.509 3.847 50 0 IHAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)Nc1ccc(F)cc1Cl ZINC000033062982 556818503 /nfs/dbraw/zinc/81/85/03/556818503.db2.gz GNPZBXMGQGOCJY-UHFFFAOYSA-N 0 0 441.843 3.546 50 0 IHAARN COc1ccc(OC)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 ZINC000033067775 556819501 /nfs/dbraw/zinc/81/95/01/556819501.db2.gz ATGJVPJFXKHFNJ-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN O=C(NCc1cccs1)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000064074293 556822818 /nfs/dbraw/zinc/82/28/18/556822818.db2.gz SSDRWIBYZLQZQV-GMAHTHKFSA-N 0 0 444.564 3.534 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)NC[C@@H](C)c4ccccc4)nnc3c2=O)c1 ZINC000064591552 556825193 /nfs/dbraw/zinc/82/51/93/556825193.db2.gz GCVFBIKGDIYLCP-HXUWFJFHSA-N 0 0 443.551 3.740 50 0 IHAARN CCCOc1ccc(CNC(=O)CCNC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000064816896 556827595 /nfs/dbraw/zinc/82/75/95/556827595.db2.gz IOONLAYPOSYZGV-UHFFFAOYSA-N 0 0 442.585 3.815 50 0 IHAARN O=C(NCc1cccnc1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064959019 556829922 /nfs/dbraw/zinc/82/99/22/556829922.db2.gz CMJGLEKECADWAM-GOSISDBHSA-N 0 0 446.942 3.978 50 0 IHAARN CCCC[C@@H](CC)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022993405 556832661 /nfs/dbraw/zinc/83/26/61/556832661.db2.gz CLNQCEPIUKBPHZ-GOSISDBHSA-N 0 0 440.606 3.629 50 0 IHAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 ZINC000065362131 556834049 /nfs/dbraw/zinc/83/40/49/556834049.db2.gz PPQLATKWNQSHDH-IBGZPJMESA-N 0 0 432.528 3.834 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc(OC)c1OC ZINC000019636478 556835332 /nfs/dbraw/zinc/83/53/32/556835332.db2.gz CIAILVDGGOHXKD-UHFFFAOYSA-N 0 0 442.541 3.856 50 0 IHAARN O=S(=O)(c1cccc2nsnc21)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019637802 556836163 /nfs/dbraw/zinc/83/61/63/556836163.db2.gz SYRZDTOLESCFSL-UHFFFAOYSA-N 0 0 443.381 3.505 50 0 IHAARN CCn1cc(-c2nnc(SCC(=O)Nc3nnc(C4CCCCC4)s3)n2CC)cn1 ZINC000019645087 556839594 /nfs/dbraw/zinc/83/95/94/556839594.db2.gz FYHHKBLYPQOVKR-UHFFFAOYSA-N 0 0 446.606 3.811 50 0 IHAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)nc21 ZINC000022998704 556841131 /nfs/dbraw/zinc/84/11/31/556841131.db2.gz AIRLFZDKQSOBFD-UHFFFAOYSA-N 0 0 425.554 3.521 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(Cl)cc2)no1 ZINC000008723997 556843513 /nfs/dbraw/zinc/84/35/13/556843513.db2.gz KWEQZNIYOHAXQM-UHFFFAOYSA-N 0 0 446.964 3.934 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1 ZINC000008685533 556844881 /nfs/dbraw/zinc/84/48/81/556844881.db2.gz MRWNCHDZDQEKMR-UHFFFAOYSA-N 0 0 446.598 3.989 50 0 IHAARN Cc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1Cl ZINC000067630370 556845426 /nfs/dbraw/zinc/84/54/26/556845426.db2.gz VCFHZUILWZGDNE-UHFFFAOYSA-N 0 0 434.883 3.656 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704064 556847429 /nfs/dbraw/zinc/84/74/29/556847429.db2.gz UXXSRJZWJDNITB-UHFFFAOYSA-N 0 0 434.427 3.970 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000008843640 556849785 /nfs/dbraw/zinc/84/97/85/556849785.db2.gz RJYOPKPJYQFVPA-NRFANRHFSA-N 0 0 425.485 3.759 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)n1N ZINC000008966145 556851998 /nfs/dbraw/zinc/85/19/98/556851998.db2.gz WHYVXZMMMVKPAM-UHFFFAOYSA-N 0 0 447.568 3.809 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000033078379 556853189 /nfs/dbraw/zinc/85/31/89/556853189.db2.gz FJERIZJJNHEEIR-HXUWFJFHSA-N 0 0 449.624 3.645 50 0 IHAARN CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)CCCc1ccccc1 ZINC000008948124 556853317 /nfs/dbraw/zinc/85/33/17/556853317.db2.gz FAMSZRBDRICJFK-UHFFFAOYSA-N 0 0 426.590 3.899 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc(OC)c1 ZINC000033077427 556854563 /nfs/dbraw/zinc/85/45/63/556854563.db2.gz UWDILXSXAGWLFG-UHFFFAOYSA-N 0 0 430.526 3.584 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NCc4ccco4)C3)s2)cc1 ZINC000033113359 556860190 /nfs/dbraw/zinc/86/01/90/556860190.db2.gz LLSYDPWNAMSSFL-OAHLLOKOSA-N 0 0 425.514 3.781 50 0 IHAARN CCc1cc(Sc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)n2ncnc2n1 ZINC000033122333 556863286 /nfs/dbraw/zinc/86/32/86/556863286.db2.gz VBAPQSSZLQZPRU-UHFFFAOYSA-N 0 0 441.538 3.647 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000033122477 556863547 /nfs/dbraw/zinc/86/35/47/556863547.db2.gz FIHTYJDBRSJPKG-UHFFFAOYSA-N 0 0 441.475 3.989 50 0 IHAARN Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)cc1NC(=O)c1ccco1 ZINC000033122734 556863706 /nfs/dbraw/zinc/86/37/06/556863706.db2.gz JEDVYNQGVYKUKD-UHFFFAOYSA-N 0 0 438.465 3.929 50 0 IHAARN O=C(NCc1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1)c1cccs1 ZINC000033122804 556863719 /nfs/dbraw/zinc/86/37/19/556863719.db2.gz DXEDBVSGPZPARQ-UHFFFAOYSA-N 0 0 440.506 3.529 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1 ZINC000033126656 556867336 /nfs/dbraw/zinc/86/73/36/556867336.db2.gz JNAGORFSJAGLII-UHFFFAOYSA-N 0 0 448.450 3.925 50 0 IHAARN CC(C)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019707491 556867460 /nfs/dbraw/zinc/86/74/60/556867460.db2.gz QAIMCVIRFSQIHB-UHFFFAOYSA-N 0 0 427.574 3.995 50 0 IHAARN CCN(CC)C(=O)c1ccc2oc(CN3CCN(C(=O)Nc4ccccc4C)CC3)nc2c1 ZINC000033127452 556867698 /nfs/dbraw/zinc/86/76/98/556867698.db2.gz FCRYBIRQBJFQNB-UHFFFAOYSA-N 0 0 449.555 3.968 50 0 IHAARN O=C(NCc1cccnc1)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126904 556867785 /nfs/dbraw/zinc/86/77/85/556867785.db2.gz ZGZNLZAEYYJWFK-UHFFFAOYSA-N 0 0 441.409 3.700 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)CC1 ZINC000033129636 556868617 /nfs/dbraw/zinc/86/86/17/556868617.db2.gz YFWBCGITYYWKPK-UHFFFAOYSA-N 0 0 446.438 3.734 50 0 IHAARN CS(=O)(=O)N1CCc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000033140049 556874913 /nfs/dbraw/zinc/87/49/13/556874913.db2.gz DVZAUEIMEQLFMS-UHFFFAOYSA-N 0 0 428.283 3.554 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168796 556880934 /nfs/dbraw/zinc/88/09/34/556880934.db2.gz WSEQKDJPWNZWJY-GOSISDBHSA-N 0 0 448.548 3.889 50 0 IHAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1NC(=O)C1CC1 ZINC000033171090 556882116 /nfs/dbraw/zinc/88/21/16/556882116.db2.gz KWQPIHFOZIYNBY-WDZFZDKYSA-N 0 0 427.482 3.573 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@H](C(=O)NCc2ccc(Br)cc2)C1 ZINC000033173308 556883209 /nfs/dbraw/zinc/88/32/09/556883209.db2.gz DNYSDZOLOILRBZ-INIZCTEOSA-N 0 0 442.361 3.572 50 0 IHAARN O=C(NC[C@H]1COc2ccccc2C1)c1ccc(Cl)cc1I ZINC000033222277 556888554 /nfs/dbraw/zinc/88/85/54/556888554.db2.gz QHMHRQZKPHCNAV-NSHDSACASA-N 0 0 427.669 3.926 50 0 IHAARN CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccccc1 ZINC000004704041 556888566 /nfs/dbraw/zinc/88/85/66/556888566.db2.gz LEQVEKMKXOEAKE-BSFBHTCNSA-N 0 0 429.582 3.867 50 0 IHAARN COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000033249416 556889310 /nfs/dbraw/zinc/88/93/10/556889310.db2.gz HFYCTFVAZHJMPI-UHFFFAOYSA-N 0 0 428.485 3.841 50 0 IHAARN CCc1ccc(OCc2nc(CCN(C)C(=O)c3cc(OC)cc(OC)c3)no2)cc1 ZINC000033252750 556893476 /nfs/dbraw/zinc/89/34/76/556893476.db2.gz XDLBEDOMSXXJNA-UHFFFAOYSA-N 0 0 425.485 3.543 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCC(C)CC1 ZINC000033255751 556895072 /nfs/dbraw/zinc/89/50/72/556895072.db2.gz SOSOSOFXARZHOJ-YIGDWTTGSA-N 0 0 432.586 3.527 50 0 IHAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 ZINC000033260634 556897461 /nfs/dbraw/zinc/89/74/61/556897461.db2.gz CVGVJEIDLMYIAF-UHFFFAOYSA-N 0 0 436.487 3.856 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 ZINC000072140554 556899236 /nfs/dbraw/zinc/89/92/36/556899236.db2.gz PIUABGFMTXENQO-UHFFFAOYSA-N 0 0 433.516 3.676 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2ccc(N3CCNC3=O)cc2)c1 ZINC000019770751 556912681 /nfs/dbraw/zinc/91/26/81/556912681.db2.gz ZOQGBLGKZWAVCK-QHCPKHFHSA-N 0 0 443.551 3.755 50 0 IHAARN COc1ccc(CN2CCN(Cc3cccc(OC)c3OC)CC2)cc1Br ZINC000019781817 556913785 /nfs/dbraw/zinc/91/37/85/556913785.db2.gz AMTAFPNVOLFKRY-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817611 556920430 /nfs/dbraw/zinc/92/04/30/556920430.db2.gz SLSMYICNENNVML-OAQYLSRUSA-N 0 0 443.463 3.704 50 0 IHAARN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000019835108 556928126 /nfs/dbraw/zinc/92/81/26/556928126.db2.gz OHXVIEZSXRFWCH-UHFFFAOYSA-N 0 0 436.339 3.698 50 0 IHAARN CCOc1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1OC ZINC000019851939 556930886 /nfs/dbraw/zinc/93/08/86/556930886.db2.gz PDYFJPCEQNLQFE-UHFFFAOYSA-N 0 0 440.565 3.754 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857140 556931429 /nfs/dbraw/zinc/93/14/29/556931429.db2.gz RZUJQKSVIHGNNF-INIZCTEOSA-N 0 0 426.460 3.886 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860910 556933383 /nfs/dbraw/zinc/93/33/83/556933383.db2.gz RUBUGLOHVGUXRO-CQSZACIVSA-N 0 0 428.888 3.799 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000019868640 556935465 /nfs/dbraw/zinc/93/54/65/556935465.db2.gz CXPHWYVNADQXOQ-OAHLLOKOSA-N 0 0 438.952 3.898 50 0 IHAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000019873239 556935760 /nfs/dbraw/zinc/93/57/60/556935760.db2.gz VSLCGLSJTXSDGS-UHFFFAOYSA-N 0 0 448.592 3.953 50 0 IHAARN Cc1ccc(Cn2c(C)cc(=O)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2C2CC2)o1 ZINC000019884597 556938164 /nfs/dbraw/zinc/93/81/64/556938164.db2.gz KUROYNFHVXQJDO-UHFFFAOYSA-N 0 0 445.563 3.942 50 0 IHAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000019912937 556943670 /nfs/dbraw/zinc/94/36/70/556943670.db2.gz MPMCJLYKGXKRJH-AWEZNQCLSA-N 0 0 440.780 3.762 50 0 IHAARN O=C(Nc1cccc(Cl)c1)N1CCN(Cc2cc3cccc4c3n(c2=O)CCC4)CC1 ZINC000019925383 556944643 /nfs/dbraw/zinc/94/46/43/556944643.db2.gz HBNURMOBXWRZKE-UHFFFAOYSA-N 0 0 436.943 3.951 50 0 IHAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c1 ZINC000019939655 556953316 /nfs/dbraw/zinc/95/33/16/556953316.db2.gz LZDBGKKTSDQKDB-GOSISDBHSA-N 0 0 436.581 3.611 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000019962110 556955585 /nfs/dbraw/zinc/95/55/85/556955585.db2.gz QNWLCWNZNIWTDM-NRFANRHFSA-N 0 0 427.464 3.557 50 0 IHAARN COc1ccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)cc1 ZINC000020029360 556968369 /nfs/dbraw/zinc/96/83/69/556968369.db2.gz JUJDGIXVODYHMM-UHFFFAOYSA-N 0 0 448.548 3.719 50 0 IHAARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1OC ZINC000004730140 556977360 /nfs/dbraw/zinc/97/73/60/556977360.db2.gz YVCTXMJLFALTBH-UHFFFAOYSA-N 0 0 428.525 3.936 50 0 IHAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 ZINC000097046498 556979437 /nfs/dbraw/zinc/97/94/37/556979437.db2.gz PLGOJHZMHOUMKH-UHFFFAOYSA-N 0 0 438.524 3.531 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)c(OC)c1 ZINC000020101832 556980396 /nfs/dbraw/zinc/98/03/96/556980396.db2.gz UUOIOGZUBFLQRK-GOSISDBHSA-N 0 0 444.535 3.733 50 0 IHAARN CCc1cccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000033268375 556984013 /nfs/dbraw/zinc/98/40/13/556984013.db2.gz TWWREDYMZDZJSP-UHFFFAOYSA-N 0 0 433.917 3.831 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1F ZINC000097096898 556984363 /nfs/dbraw/zinc/98/43/63/556984363.db2.gz NLGJSJKFHIMQHM-MRXNPFEDSA-N 0 0 426.473 3.775 50 0 IHAARN COc1ccc(-c2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)c(N3CCSCC3)n2)cc1 ZINC000020136065 556988359 /nfs/dbraw/zinc/98/83/59/556988359.db2.gz XSGWVQOGVLJGQF-SFHVURJKSA-N 0 0 441.597 3.998 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097124767 556991049 /nfs/dbraw/zinc/99/10/49/556991049.db2.gz VCEPOVFSXRRQIC-QFIPXVFZSA-N 0 0 438.959 3.704 50 0 IHAARN CSCC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000096924580 557005782 /nfs/dbraw/zinc/00/57/82/557005782.db2.gz WXIDZAJCTGYTRL-PCCBWWKXSA-N 0 0 443.613 3.912 50 0 IHAARN C[C@@H]1CCc2c(sc3nc(CCC(=O)NCCc4c[nH]c5ccccc45)[nH]c(=O)c32)C1 ZINC000023126471 557007940 /nfs/dbraw/zinc/00/79/40/557007940.db2.gz IRYZGSKUHVVKIE-CQSZACIVSA-N 0 0 434.565 3.882 50 0 IHAARN O=C(OCCN1C(=O)COc2ccc(Br)cc21)[C@H]1SCCc2ccccc21 ZINC000097233628 557009219 /nfs/dbraw/zinc/00/92/19/557009219.db2.gz KZJVXYKOOJVDKL-IBGZPJMESA-N 0 0 448.338 3.748 50 0 IHAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCc2ccc3c(c2)OCO3)c1C ZINC000020356085 557010333 /nfs/dbraw/zinc/01/03/33/557010333.db2.gz HMCWYHLLLPXAOB-UHFFFAOYSA-N 0 0 434.492 3.994 50 0 IHAARN CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000079017056 557010620 /nfs/dbraw/zinc/01/06/20/557010620.db2.gz QJMZCTXXDQBKAB-UHFFFAOYSA-N 0 0 432.414 3.791 50 0 IHAARN Cc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 ZINC000032942897 557011926 /nfs/dbraw/zinc/01/19/26/557011926.db2.gz KKEVZDQFKKXWKS-UHFFFAOYSA-N 0 0 426.464 3.680 50 0 IHAARN COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC ZINC000020394426 557013077 /nfs/dbraw/zinc/01/30/77/557013077.db2.gz VGPFACHAZJLSCH-UHFFFAOYSA-N 0 0 443.573 3.722 50 0 IHAARN Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c1cnn2-c1ccc(F)cc1 ZINC000023137625 557019366 /nfs/dbraw/zinc/01/93/66/557019366.db2.gz XHGZHQGBMUTWFH-UHFFFAOYSA-N 0 0 437.456 3.723 50 0 IHAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000032943509 557020129 /nfs/dbraw/zinc/02/01/29/557020129.db2.gz FHOOCMGUWKEJNA-UHFFFAOYSA-N 0 0 439.464 3.996 50 0 IHAARN CCOC(=O)c1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)c1 ZINC000032943571 557020315 /nfs/dbraw/zinc/02/03/15/557020315.db2.gz UEJFBYIXVMOHFW-UHFFFAOYSA-N 0 0 425.510 3.940 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 ZINC000023138247 557021223 /nfs/dbraw/zinc/02/12/23/557021223.db2.gz XAJXZQDEPFRPDY-UHFFFAOYSA-N 0 0 429.885 3.626 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21 ZINC000046027332 557023185 /nfs/dbraw/zinc/02/31/85/557023185.db2.gz BYNVWKYTFPAQCF-UHFFFAOYSA-N 0 0 425.488 3.879 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)c1 ZINC000046027326 557023370 /nfs/dbraw/zinc/02/33/70/557023370.db2.gz OKCKZHSAPYGGBE-UHFFFAOYSA-N 0 0 425.488 3.879 50 0 IHAARN COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2nccn2C)c1 ZINC000010747168 557023639 /nfs/dbraw/zinc/02/36/39/557023639.db2.gz LPTSGMHWYMKJQS-JOCHJYFZSA-N 0 0 437.521 3.658 50 0 IHAARN COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc3ccccc3c2)c2nccn2C)c1 ZINC000010747181 557023661 /nfs/dbraw/zinc/02/36/61/557023661.db2.gz LPTSGMHWYMKJQS-QFIPXVFZSA-N 0 0 437.521 3.658 50 0 IHAARN Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000032944188 557024367 /nfs/dbraw/zinc/02/43/67/557024367.db2.gz OGXKNUVLUHNYIU-CFGKVWFZSA-N 0 0 445.585 3.696 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NCc1ccccc1 ZINC000023139494 557024397 /nfs/dbraw/zinc/02/43/97/557024397.db2.gz DEKVIEIHKAGRHS-UHFFFAOYSA-N 0 0 426.929 3.852 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4ccccc4F)s3)cc(=O)n2c1 ZINC000046031605 557024489 /nfs/dbraw/zinc/02/44/89/557024489.db2.gz DWUOKYLAWGWEAU-UHFFFAOYSA-N 0 0 427.486 3.538 50 0 IHAARN O=C(c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 ZINC000010761814 557025210 /nfs/dbraw/zinc/02/52/10/557025210.db2.gz XNGJKPHCEOIYAC-UHFFFAOYSA-N 0 0 449.834 3.599 50 0 IHAARN COc1cc(SC)ccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000010767132 557025558 /nfs/dbraw/zinc/02/55/58/557025558.db2.gz FILKLZIPVVTLGV-UHFFFAOYSA-N 0 0 440.612 3.583 50 0 IHAARN COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br ZINC000010773115 557025789 /nfs/dbraw/zinc/02/57/89/557025789.db2.gz AYHTUCNJXWFMDV-UHFFFAOYSA-N 0 0 433.302 3.745 50 0 IHAARN COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2=O)cc1 ZINC000023143957 557025825 /nfs/dbraw/zinc/02/58/25/557025825.db2.gz LBFTVSHFVMDGJX-UHFFFAOYSA-N 0 0 439.468 3.643 50 0 IHAARN Cc1c(O)ccc2c(COC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc12 ZINC000010788059 557026888 /nfs/dbraw/zinc/02/68/88/557026888.db2.gz MASOGUSXXMBLIG-LJQANCHMSA-N 0 0 449.459 3.561 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc2c1=O ZINC000010785947 557026935 /nfs/dbraw/zinc/02/69/35/557026935.db2.gz HSEBIPHANMZLSI-UHFFFAOYSA-N 0 0 439.537 3.757 50 0 IHAARN O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n[nH]1 ZINC000225563035 557027319 /nfs/dbraw/zinc/02/73/19/557027319.db2.gz DOUNYNSUAMJDMI-UHFFFAOYSA-N 0 0 445.445 3.512 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccc(Cl)nc3)n2)c1 ZINC000010805233 557028068 /nfs/dbraw/zinc/02/80/68/557028068.db2.gz BSNPJZHCQOYHLG-UHFFFAOYSA-N 0 0 433.873 3.671 50 0 IHAARN Cc1cc(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc(C)c1Cl ZINC000046056269 557028281 /nfs/dbraw/zinc/02/82/81/557028281.db2.gz PAHJBPAGWOBXTI-UHFFFAOYSA-N 0 0 427.917 3.818 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000032944969 557028355 /nfs/dbraw/zinc/02/83/55/557028355.db2.gz KLXSHTCERYOBLP-AWEZNQCLSA-N 0 0 433.430 3.918 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4CC)nnc3c2=O)cc1 ZINC000046047817 557028327 /nfs/dbraw/zinc/02/83/27/557028327.db2.gz ZWRUPQAHBAQSGX-UHFFFAOYSA-N 0 0 449.536 3.572 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)cc1 ZINC000032944968 557028381 /nfs/dbraw/zinc/02/83/81/557028381.db2.gz KLXSHTCERYOBLP-CQSZACIVSA-N 0 0 433.430 3.918 50 0 IHAARN CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153808 557028680 /nfs/dbraw/zinc/02/86/80/557028680.db2.gz SXEDJEZCGUZLCN-UHFFFAOYSA-N 0 0 434.565 3.724 50 0 IHAARN CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153802 557028829 /nfs/dbraw/zinc/02/88/29/557028829.db2.gz BIKYKDIBXZDBEO-UHFFFAOYSA-N 0 0 433.533 3.860 50 0 IHAARN CCN(c1ccc2sc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2c1)S(C)(=O)=O ZINC000046058234 557029489 /nfs/dbraw/zinc/02/94/89/557029489.db2.gz ZVZPREJNSIHBCK-UHFFFAOYSA-N 0 0 432.523 3.726 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000023157718 557030550 /nfs/dbraw/zinc/03/05/50/557030550.db2.gz XRCBDDKQEOBNJL-MRXNPFEDSA-N 0 0 434.949 3.823 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCCc3ccccc3)[nH]c(=O)c21 ZINC000046074336 557030627 /nfs/dbraw/zinc/03/06/27/557030627.db2.gz DUMUTIAOMNCLGB-QGZVFWFLSA-N 0 0 448.548 3.732 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000046074920 557031473 /nfs/dbraw/zinc/03/14/73/557031473.db2.gz JGLLTYHFHWCYOK-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)CC2=O)c1C ZINC000072104950 557031912 /nfs/dbraw/zinc/03/19/12/557031912.db2.gz GUCQHCCMGJRCPB-OAHLLOKOSA-N 0 0 425.554 3.724 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c(C)c1 ZINC000046075488 557032031 /nfs/dbraw/zinc/03/20/31/557032031.db2.gz QPLCGGFQDLWRJV-QGZVFWFLSA-N 0 0 448.548 3.786 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1 ZINC000046075356 557032104 /nfs/dbraw/zinc/03/21/04/557032104.db2.gz YPDJFIQYPLXXIZ-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000046075361 557032152 /nfs/dbraw/zinc/03/21/52/557032152.db2.gz ZQCOULGJJJXTOP-MRXNPFEDSA-N 0 0 438.484 3.574 50 0 IHAARN COc1ccc(-c2c(-c3ccc(Br)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000046081387 557035746 /nfs/dbraw/zinc/03/57/46/557035746.db2.gz KQTDINFCJDINFW-UHFFFAOYSA-N 0 0 426.270 3.660 50 0 IHAARN CCc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000023172502 557035883 /nfs/dbraw/zinc/03/58/83/557035883.db2.gz WJXWCUYMAJMCRY-MDWZMJQESA-N 0 0 432.524 3.665 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000046086897 557035949 /nfs/dbraw/zinc/03/59/49/557035949.db2.gz PLBMQLOAWBAGEG-UHFFFAOYSA-N 0 0 437.363 3.727 50 0 IHAARN O=C(Cc1cccs1)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000046122611 557036210 /nfs/dbraw/zinc/03/62/10/557036210.db2.gz WPRXYGNTGZOEDK-ZDUSSCGKSA-N 0 0 430.530 3.940 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046124694 557037576 /nfs/dbraw/zinc/03/75/76/557037576.db2.gz NDCIXNBUYUOAII-MRXNPFEDSA-N 0 0 442.566 3.667 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000046145140 557043310 /nfs/dbraw/zinc/04/33/10/557043310.db2.gz SYKDQJJWHSGUEZ-UHFFFAOYSA-N 0 0 426.460 3.597 50 0 IHAARN COc1ccccc1[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C ZINC000048234403 557046063 /nfs/dbraw/zinc/04/60/63/557046063.db2.gz AIEIXTDSTJWVLT-CYFREDJKSA-N 0 0 446.551 3.811 50 0 IHAARN COc1cc(CN2CCN(C(O)(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000022920319 557047286 /nfs/dbraw/zinc/04/72/86/557047286.db2.gz GTABSWBOGRCCMI-UHFFFAOYSA-N 0 0 448.563 3.724 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1 ZINC000048231040 557048908 /nfs/dbraw/zinc/04/89/08/557048908.db2.gz YEPBMRSVRXCEFB-HXUWFJFHSA-N 0 0 439.531 3.640 50 0 IHAARN O=C(NC1CC1)c1cc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000017275936 557049384 /nfs/dbraw/zinc/04/93/84/557049384.db2.gz KGUMXAIRWBXJPR-HSZRJFAPSA-N 0 0 447.560 3.819 50 0 IHAARN O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000022932062 557050578 /nfs/dbraw/zinc/05/05/78/557050578.db2.gz NYMLSZLJZLIMED-XBGMYJNYSA-N 0 0 444.362 3.956 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033272002 557050755 /nfs/dbraw/zinc/05/07/55/557050755.db2.gz YGHJZNQFSFUNOO-UHFFFAOYSA-N 0 0 436.489 3.839 50 0 IHAARN Cc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1S(C)(=O)=O ZINC000048272256 557050854 /nfs/dbraw/zinc/05/08/54/557050854.db2.gz XNFOIUIINGVEEJ-UHFFFAOYSA-N 0 0 439.489 3.959 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1Cl ZINC000033275188 557053678 /nfs/dbraw/zinc/05/36/78/557053678.db2.gz DKOWJMYZWPSOOB-UHFFFAOYSA-N 0 0 442.903 3.582 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)s1 ZINC000023004373 557056817 /nfs/dbraw/zinc/05/68/17/557056817.db2.gz BXCDVWSJXVTNLJ-HNNXBMFYSA-N 0 0 439.516 3.780 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1 ZINC000048278295 557057249 /nfs/dbraw/zinc/05/72/49/557057249.db2.gz YEJLPAPQXCEJSS-UHFFFAOYSA-N 0 0 425.462 3.650 50 0 IHAARN Cc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)n2)cc1 ZINC000010872521 557058057 /nfs/dbraw/zinc/05/80/57/557058057.db2.gz ZFUGWHUKVAIYJA-KRWDZBQOSA-N 0 0 426.546 3.708 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC3(c4ccc(F)cc4)CC3)CC2)c1 ZINC000048286041 557058049 /nfs/dbraw/zinc/05/80/49/557058049.db2.gz RFCIAUCJIVMSFJ-UHFFFAOYSA-N 0 0 440.515 3.543 50 0 IHAARN CNC(=O)c1ccc(CN(C(=O)COc2ccc(Br)cc2F)C2CC2)cc1 ZINC000023041968 557059177 /nfs/dbraw/zinc/05/91/77/557059177.db2.gz RPMBHXVMAVWNKM-UHFFFAOYSA-N 0 0 435.293 3.518 50 0 IHAARN O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21 ZINC000082165247 557060508 /nfs/dbraw/zinc/06/05/08/557060508.db2.gz HXMGCTFLLWPVFM-GOSISDBHSA-N 0 0 425.431 3.770 50 0 in-vitro IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc(C)n2)c1C ZINC000082230480 557061358 /nfs/dbraw/zinc/06/13/58/557061358.db2.gz JPENQJHYNUEZHH-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN Cn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(Cl)cc2)no1)OCO3 ZINC000033279699 557062537 /nfs/dbraw/zinc/06/25/37/557062537.db2.gz RZYJBUFBLGUUET-UHFFFAOYSA-N 0 0 428.857 3.658 50 0 IHAARN CN(C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C1CCCCC1 ZINC000017357050 557062839 /nfs/dbraw/zinc/06/28/39/557062839.db2.gz NCLXDDFTHUBCMR-UHFFFAOYSA-N 0 0 430.526 3.663 50 0 IHAARN CN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21)C[C@H](O)c1ccccc1 ZINC000023129668 557066235 /nfs/dbraw/zinc/06/62/35/557066235.db2.gz SVHSGMGYAJJSQK-QFIPXVFZSA-N 0 0 448.592 3.876 50 0 IHAARN O=C(Cn1cc(Br)ccc1=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000048326088 557066648 /nfs/dbraw/zinc/06/66/48/557066648.db2.gz UGHOKAQZTIWXKM-UHFFFAOYSA-N 0 0 440.135 3.569 50 0 IHAARN Cc1csc([C@@](O)(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 ZINC000048313251 557067305 /nfs/dbraw/zinc/06/73/05/557067305.db2.gz LVGVLAXBFYXFCC-LIRRHRJNSA-N 0 0 442.459 3.726 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)cc1C ZINC000033281930 557067449 /nfs/dbraw/zinc/06/74/49/557067449.db2.gz XUBGALUKMIBMLP-UHFFFAOYSA-N 0 0 446.477 3.917 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000023143172 557067669 /nfs/dbraw/zinc/06/76/69/557067669.db2.gz LGZZQDDGLBXJOL-UHFFFAOYSA-N 0 0 434.245 3.523 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033282776 557068022 /nfs/dbraw/zinc/06/80/22/557068022.db2.gz AESYVEVGVOOWHH-UHFFFAOYSA-N 0 0 425.554 3.501 50 0 IHAARN COC(=O)CCN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000048326588 557069218 /nfs/dbraw/zinc/06/92/18/557069218.db2.gz KUJCMQMADCDWSV-UHFFFAOYSA-N 0 0 435.549 3.798 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)c(C)o1 ZINC000033291654 557069686 /nfs/dbraw/zinc/06/96/86/557069686.db2.gz PQUDLQWKODFQJN-UHFFFAOYSA-N 0 0 432.484 3.831 50 0 IHAARN O=C(Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccs1 ZINC000048332054 557069799 /nfs/dbraw/zinc/06/97/99/557069799.db2.gz UODDRSGKJLMSFT-INIZCTEOSA-N 0 0 426.542 3.867 50 0 IHAARN O=C(Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccs1 ZINC000048332053 557069803 /nfs/dbraw/zinc/06/98/03/557069803.db2.gz UODDRSGKJLMSFT-MRXNPFEDSA-N 0 0 426.542 3.867 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3N)c(C)o2)cc1 ZINC000033291821 557070037 /nfs/dbraw/zinc/07/00/37/557070037.db2.gz YOJCAALQRKMHMX-UHFFFAOYSA-N 0 0 432.484 3.750 50 0 IHAARN COc1cccc([C@@H]2[C@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 ZINC000048342260 557070997 /nfs/dbraw/zinc/07/09/97/557070997.db2.gz GOJMGXOMMKGWMT-PKTZIBPZSA-N 0 0 444.959 3.792 50 0 IHAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000048343359 557071201 /nfs/dbraw/zinc/07/12/01/557071201.db2.gz CELOFCBVDFOGCF-ZIAGYGMSSA-N 0 0 439.387 3.564 50 0 IHAARN Cc1cc(Cc2cnc(NC(=O)CN3CCSC3=O)s2)ccc1Br ZINC000048342471 557071245 /nfs/dbraw/zinc/07/12/45/557071245.db2.gz FZGZNHJQKYFFNI-UHFFFAOYSA-N 0 0 426.361 3.912 50 0 IHAARN COC(=O)COc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000048345707 557071984 /nfs/dbraw/zinc/07/19/84/557071984.db2.gz VFEIWBVZWCXFBE-HNNXBMFYSA-N 0 0 425.510 3.703 50 0 IHAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1 ZINC000033289897 557071954 /nfs/dbraw/zinc/07/19/54/557071954.db2.gz PJDZEPCJZWMLRI-UHFFFAOYSA-N 0 0 440.525 3.572 50 0 IHAARN CSc1nc2nc(C)c(CCC(=O)NCc3csc(-c4ccccc4)n3)c(C)n2n1 ZINC000010893935 557073932 /nfs/dbraw/zinc/07/39/32/557073932.db2.gz JONOZARPSHTTJU-UHFFFAOYSA-N 0 0 438.582 3.836 50 0 IHAARN Cc1ccc2c(c1)c1nc(C3CC3)nn1c(=O)n2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000048362381 557074294 /nfs/dbraw/zinc/07/42/94/557074294.db2.gz NRSHUBQYJPRFBH-UHFFFAOYSA-N 0 0 441.413 3.888 50 0 IHAARN CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000048365090 557074668 /nfs/dbraw/zinc/07/46/68/557074668.db2.gz UGJNSYMXNCWHRW-UHFFFAOYSA-N 0 0 428.529 3.959 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccccc3)c2n1 ZINC000049002137 557080687 /nfs/dbraw/zinc/08/06/87/557080687.db2.gz PPANGHZDGKKYMJ-UHFFFAOYSA-N 0 0 430.439 3.735 50 0 IHAARN CCOc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000048986393 557082333 /nfs/dbraw/zinc/08/23/33/557082333.db2.gz SDOZXZFDQNRWQA-UHFFFAOYSA-N 0 0 446.488 3.711 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3Cl)c2c1=O ZINC000048987181 557082489 /nfs/dbraw/zinc/08/24/89/557082489.db2.gz YYMHEGOINSDPMS-UHFFFAOYSA-N 0 0 436.899 3.804 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4cccc(F)c4)c3=O)n2)c1 ZINC000048987028 557082515 /nfs/dbraw/zinc/08/25/15/557082515.db2.gz VZMXDAIPFMPWPO-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN O=C(NC1CCCC1)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)C1 ZINC000033302630 557083994 /nfs/dbraw/zinc/08/39/94/557083994.db2.gz UVYBIGYMFSESMI-GOSISDBHSA-N 0 0 436.581 3.782 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000011311492 557084336 /nfs/dbraw/zinc/08/43/36/557084336.db2.gz HPWYWVJOUISOCD-UHFFFAOYSA-N 0 0 429.889 3.636 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(N5CCCC5=O)cc4)c3)n2)cc1 ZINC000049007389 557085691 /nfs/dbraw/zinc/08/56/91/557085691.db2.gz WVXMXWNXKLBZBR-UHFFFAOYSA-N 0 0 442.475 3.749 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)n3C(C)C)no1 ZINC000033306778 557086103 /nfs/dbraw/zinc/08/61/03/557086103.db2.gz JDMIPINEKAXNJN-UHFFFAOYSA-N 0 0 439.903 3.712 50 0 IHAARN CC(C)CN1CCN(S(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000033307139 557086459 /nfs/dbraw/zinc/08/64/59/557086459.db2.gz HDMHQXLBFTXXNR-UHFFFAOYSA-N 0 0 444.532 3.505 50 0 IHAARN O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000049028345 557088634 /nfs/dbraw/zinc/08/86/34/557088634.db2.gz LZRJHPQBSVAYSW-UHFFFAOYSA-N 0 0 433.518 3.987 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O ZINC000049002417 557090188 /nfs/dbraw/zinc/09/01/88/557090188.db2.gz QVFLGPHSWJMPSD-UHFFFAOYSA-N 0 0 434.427 3.742 50 0 IHAARN COc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2ccncc2)c1 ZINC000049003459 557091300 /nfs/dbraw/zinc/09/13/00/557091300.db2.gz FWIOCGFJAXUHLF-UHFFFAOYSA-N 0 0 433.899 3.964 50 0 IHAARN COc1cccc(CN(C)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c1OC ZINC000023528323 557095910 /nfs/dbraw/zinc/09/59/10/557095910.db2.gz HVHVNZANARHJQY-UHFFFAOYSA-N 0 0 435.524 3.802 50 0 IHAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n21 ZINC000033312501 557096919 /nfs/dbraw/zinc/09/69/19/557096919.db2.gz KCFNAPGYJBAWQX-UHFFFAOYSA-N 0 0 427.386 3.524 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1Cl ZINC000049401324 557097050 /nfs/dbraw/zinc/09/70/50/557097050.db2.gz YEDNLMAXRKQVAA-UHFFFAOYSA-N 0 0 434.883 3.899 50 0 IHAARN O=C(OCCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000023550907 557097807 /nfs/dbraw/zinc/09/78/07/557097807.db2.gz DVPDHVNZSVNJFI-UHFFFAOYSA-N 0 0 433.457 3.523 50 0 IHAARN COc1cc(NC(=O)CN2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc(OC)c1 ZINC000049403404 557098881 /nfs/dbraw/zinc/09/88/81/557098881.db2.gz WQLKTBIBOCUBNN-UHFFFAOYSA-N 0 0 440.475 3.711 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000049403277 557098891 /nfs/dbraw/zinc/09/88/91/557098891.db2.gz LNUZGHOCSOCYFC-UHFFFAOYSA-N 0 0 434.496 3.650 50 0 IHAARN O=C1N/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccc(Br)cc1 ZINC000033316076 557098971 /nfs/dbraw/zinc/09/89/71/557098971.db2.gz RAHFQBZJDVSYMF-RZNTYIFUSA-N 0 0 435.661 3.924 50 0 IHAARN COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)cc1OC ZINC000049403521 557099228 /nfs/dbraw/zinc/09/92/28/557099228.db2.gz NIIRNNAPKMCSCG-UHFFFAOYSA-N 0 0 428.514 3.633 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(C(C)=O)c4)CC3)n2)cc1 ZINC000049403468 557099278 /nfs/dbraw/zinc/09/92/78/557099278.db2.gz JSUQVHVDJIFVGV-UHFFFAOYSA-N 0 0 434.496 3.766 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(I)c2)c(OC)c1OC ZINC000023571162 557099318 /nfs/dbraw/zinc/09/93/18/557099318.db2.gz IDBMNLOYJJWWSH-UHFFFAOYSA-N 0 0 441.265 3.589 50 0 IHAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2Br)c1 ZINC000023572338 557099453 /nfs/dbraw/zinc/09/94/53/557099453.db2.gz NAHSXNCASGRFHR-UHFFFAOYSA-N 0 0 439.375 3.750 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3)cccn12 ZINC000049404832 557099841 /nfs/dbraw/zinc/09/98/41/557099841.db2.gz LYBLRLBUKWIDDL-UHFFFAOYSA-N 0 0 428.464 3.965 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1Br ZINC000085391875 557101163 /nfs/dbraw/zinc/10/11/63/557101163.db2.gz IHXSPJOLPJNXSH-UHFFFAOYSA-N 0 0 446.754 3.780 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3cn(-c4ccc(NC(=O)CC(C)C)cn4)cn3)CC2)cc1 ZINC000049407519 557102899 /nfs/dbraw/zinc/10/28/99/557102899.db2.gz HPERPJZWPOYFRN-UHFFFAOYSA-N 0 0 446.555 3.523 50 0 IHAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000049408387 557103090 /nfs/dbraw/zinc/10/30/90/557103090.db2.gz IXTWYYSVZQLINB-UHFFFAOYSA-N 0 0 442.884 3.507 50 0 IHAARN C[C@@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccc5F)CC4)n3)cn2)C1 ZINC000049409665 557104660 /nfs/dbraw/zinc/10/46/60/557104660.db2.gz IXKPFUZKNGWIPO-GOSISDBHSA-N 0 0 436.535 3.829 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 ZINC000049409653 557104709 /nfs/dbraw/zinc/10/47/09/557104709.db2.gz IOBHJSSKMVAZOS-IBGZPJMESA-N 0 0 448.571 3.699 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C ZINC000033320948 557104793 /nfs/dbraw/zinc/10/47/93/557104793.db2.gz JVWIUGJLJUAFJR-UHFFFAOYSA-N 0 0 434.521 3.868 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C ZINC000033320955 557104808 /nfs/dbraw/zinc/10/48/08/557104808.db2.gz NBOYMMSBZFGOPA-UHFFFAOYSA-N 0 0 448.548 3.933 50 0 IHAARN CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000049410071 557105544 /nfs/dbraw/zinc/10/55/44/557105544.db2.gz XVXYWHVQSWFDCH-UHFFFAOYSA-N 0 0 446.320 3.790 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000049410715 557106127 /nfs/dbraw/zinc/10/61/27/557106127.db2.gz URGBCBORQBHQFZ-UHFFFAOYSA-N 0 0 440.866 3.683 50 0 IHAARN CCCCc1c(C)n(CC(=O)Nc2ccc(F)cc2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324707 557106607 /nfs/dbraw/zinc/10/66/07/557106607.db2.gz XFCIBLIBMYSKSW-UHFFFAOYSA-N 0 0 433.487 3.987 50 0 IHAARN Cc1cccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1C ZINC000049411548 557106866 /nfs/dbraw/zinc/10/68/66/557106866.db2.gz WXAZXCZPDOTCOQ-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325694 557107813 /nfs/dbraw/zinc/10/78/13/557107813.db2.gz KLJJEGRRTYVRJV-NRFANRHFSA-N 0 0 437.565 3.765 50 0 IHAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)N4CCN(c5ccccc5)CC4)c(C)n3n2)cc1 ZINC000086069580 557108072 /nfs/dbraw/zinc/10/80/72/557108072.db2.gz KCGXMMHAPZHSGM-UHFFFAOYSA-N 0 0 440.551 3.608 50 0 IHAARN Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000086070060 557108431 /nfs/dbraw/zinc/10/84/31/557108431.db2.gz OAUSPABSHBOQPX-UHFFFAOYSA-N 0 0 432.572 3.680 50 0 IHAARN Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000033326593 557108438 /nfs/dbraw/zinc/10/84/38/557108438.db2.gz MHQVCCNFLQCDGM-SFHVURJKSA-N 0 0 439.555 3.689 50 0 IHAARN COc1ccc(-c2n[nH]cc2-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1OC ZINC000049422300 557109203 /nfs/dbraw/zinc/10/92/03/557109203.db2.gz IWKUGUGLBTVAOQ-UHFFFAOYSA-N 0 0 438.440 3.837 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccc(F)c(F)c1F ZINC000049544190 557110845 /nfs/dbraw/zinc/11/08/45/557110845.db2.gz HHELVCKUXWQABY-CYBMUJFWSA-N 0 0 448.422 3.700 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccc(F)c(F)c1F ZINC000049544188 557110863 /nfs/dbraw/zinc/11/08/63/557110863.db2.gz HHELVCKUXWQABY-ZDUSSCGKSA-N 0 0 448.422 3.700 50 0 IHAARN COc1cc(N2c3c(sc(=O)n3C)[C@H](c3ccc(F)cc3)CC2=O)cc(OC)c1OC ZINC000049549145 557112735 /nfs/dbraw/zinc/11/27/35/557112735.db2.gz OLIGCLYKELYSNW-HNNXBMFYSA-N 0 0 444.484 3.812 50 0 IHAARN Cn1nc(-c2ccccc2)cc1C(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000049504941 557114140 /nfs/dbraw/zinc/11/41/40/557114140.db2.gz FKTDCZNVNLOCQX-UHFFFAOYSA-N 0 0 446.511 3.970 50 0 IHAARN O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049609490 557115202 /nfs/dbraw/zinc/11/52/02/557115202.db2.gz OOAVDXCPTODBBK-SFHVURJKSA-N 0 0 426.480 3.511 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000023763659 557115250 /nfs/dbraw/zinc/11/52/50/557115250.db2.gz HZMOPBPJXNMXFH-UHFFFAOYSA-N 0 0 427.545 3.635 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCc1cccnc1 ZINC000033332009 557116551 /nfs/dbraw/zinc/11/65/51/557116551.db2.gz UTJGQJMMHVRORN-UHFFFAOYSA-N 0 0 439.313 3.508 50 0 IHAARN O=C(c1ccccc1I)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000834174 557116720 /nfs/dbraw/zinc/11/67/20/557116720.db2.gz MMLWCKQJJUPAMF-UHFFFAOYSA-N 0 0 426.685 3.907 50 0 IHAARN COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(CCC(C)C)C1=O ZINC000033332117 557117007 /nfs/dbraw/zinc/11/70/07/557117007.db2.gz RICGDIMOVQJLSB-VWLOTQADSA-N 0 0 441.572 3.978 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000000938615 557117767 /nfs/dbraw/zinc/11/77/67/557117767.db2.gz IKKLVPCXEYYQID-UHFFFAOYSA-N 0 0 429.428 3.635 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 ZINC000023873274 557121818 /nfs/dbraw/zinc/12/18/18/557121818.db2.gz KJAKVQVGHVKHFD-UHFFFAOYSA-N 0 0 435.549 3.837 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000000631049 557123122 /nfs/dbraw/zinc/12/31/22/557123122.db2.gz WVZCBSSBRRDPJB-IAGOWNOFSA-N 0 0 430.570 3.970 50 0 IHAARN O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000000630869 557123133 /nfs/dbraw/zinc/12/31/33/557123133.db2.gz AXTGOALUYDWWCT-UHFFFAOYSA-N 0 0 435.427 3.831 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000023882649 557123522 /nfs/dbraw/zinc/12/35/22/557123522.db2.gz CLWUALAXEAYLSW-UHFFFAOYSA-N 0 0 447.535 3.763 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000023883270 557123581 /nfs/dbraw/zinc/12/35/81/557123581.db2.gz FHRGJQWXWFKYCY-UHFFFAOYSA-N 0 0 438.959 3.655 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791569 557124519 /nfs/dbraw/zinc/12/45/19/557124519.db2.gz SDVIAFMZWILSTG-UHFFFAOYSA-N 0 0 433.895 3.516 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCOCC2)cc1 ZINC000023908039 557124690 /nfs/dbraw/zinc/12/46/90/557124690.db2.gz CZMMLERPUYBSIQ-VWLOTQADSA-N 0 0 444.531 3.730 50 0 IHAARN CN(CCCNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 ZINC000017826974 557124798 /nfs/dbraw/zinc/12/47/98/557124798.db2.gz UIHYISWLOQGMHH-UHFFFAOYSA-N 0 0 432.549 3.768 50 0 IHAARN CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc2c1CCN(C(=O)OCC)C2 ZINC000012277530 557124893 /nfs/dbraw/zinc/12/48/93/557124893.db2.gz YUFVWYKLBVSSAP-UHFFFAOYSA-N 0 0 446.525 3.629 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nnnn1-c1ccccc1)CC2 ZINC000023983887 557129638 /nfs/dbraw/zinc/12/96/38/557129638.db2.gz AWOXSOVYGWHGEB-QHCPKHFHSA-N 0 0 433.537 3.889 50 0 IHAARN Cc1ccccc1N(CC(=O)Nc1cccc(NC(=O)c2cccs2)c1)S(C)(=O)=O ZINC000024033465 557132672 /nfs/dbraw/zinc/13/26/72/557132672.db2.gz MLMXDBUOGWJRMO-UHFFFAOYSA-N 0 0 443.550 3.714 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 ZINC000033361117 557134942 /nfs/dbraw/zinc/13/49/42/557134942.db2.gz OSGQEBDUPJNHHV-UHFFFAOYSA-N 0 0 446.956 3.570 50 0 IHAARN COCCCN1C(=O)C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000024193004 557140452 /nfs/dbraw/zinc/14/04/52/557140452.db2.gz GVOMRISTGVLJIW-GOSISDBHSA-N 0 0 435.929 3.812 50 0 IHAARN COc1ccc(-c2cc3ncnc(NC[C@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000024204498 557140755 /nfs/dbraw/zinc/14/07/55/557140755.db2.gz TZBNMFVVWGZOKM-FXAWDEMLSA-N 0 0 440.569 3.516 50 0 IHAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)C=Cc4ccco4)c3)nn12 ZINC000004125375 557141710 /nfs/dbraw/zinc/14/17/10/557141710.db2.gz IXKVXCGTLKWLBI-CMDGGOBGSA-N 0 0 438.538 3.843 50 0 IHAARN COc1cc(OC)c(C2=CCN(CC(=O)Nc3cccc4ncccc43)CC2)c(OC)c1 ZINC000011406470 557142300 /nfs/dbraw/zinc/14/23/00/557142300.db2.gz HDIGOCADELXDQY-UHFFFAOYSA-N 0 0 433.508 3.988 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000011407432 557142588 /nfs/dbraw/zinc/14/25/88/557142588.db2.gz ARRFSWBLQJZIPN-UHFFFAOYSA-N 0 0 435.480 3.643 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004761242 557142765 /nfs/dbraw/zinc/14/27/65/557142765.db2.gz UROYZANJRMCQNS-WAOWUJCRSA-N 0 0 426.513 3.576 50 0 IHAARN Cc1cc(I)ccc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 ZINC000010941888 557144413 /nfs/dbraw/zinc/14/44/13/557144413.db2.gz YZVCYXIPYOSFLW-UHFFFAOYSA-N 0 0 449.292 3.999 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000024425459 557146739 /nfs/dbraw/zinc/14/67/39/557146739.db2.gz GQFLQVTZGPSDGL-FQEVSTJZSA-N 0 0 427.520 3.610 50 0 IHAARN CCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000024443434 557147000 /nfs/dbraw/zinc/14/70/00/557147000.db2.gz KQUPWNBPWMHXSK-UHFFFAOYSA-N 0 0 436.556 3.917 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(C)cc1 ZINC000024489355 557148351 /nfs/dbraw/zinc/14/83/51/557148351.db2.gz VUPZAFVVWVLMEK-FQEVSTJZSA-N 0 0 441.505 3.596 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Nc2ncccn2)c1 ZINC000024489871 557148424 /nfs/dbraw/zinc/14/84/24/557148424.db2.gz ZWMPRWRGMAPUIF-UHFFFAOYSA-N 0 0 449.492 3.544 50 0 IHAARN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000024601371 557152498 /nfs/dbraw/zinc/15/24/98/557152498.db2.gz IDFMQRBYLSSSPA-CQSZACIVSA-N 0 0 435.446 3.965 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000011481192 557152795 /nfs/dbraw/zinc/15/27/95/557152795.db2.gz HMPQEUZOESHBNY-UHFFFAOYSA-N 0 0 436.439 3.872 50 0 IHAARN OCCN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000023295993 557155444 /nfs/dbraw/zinc/15/54/44/557155444.db2.gz WLQWWPKKIRBJAB-UHFFFAOYSA-N 0 0 426.611 3.587 50 0 IHAARN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613539 557156029 /nfs/dbraw/zinc/15/60/29/557156029.db2.gz NCXUFKKZDCUHCQ-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000024639267 557157052 /nfs/dbraw/zinc/15/70/52/557157052.db2.gz NTGYRZHKYDHXDH-CQSZACIVSA-N 0 0 434.514 3.640 50 0 IHAARN CCc1c(C)sc2nc(S[C@H](C)C(=O)NC(=O)NC)n(-c3cccc(C)c3)c(=O)c12 ZINC000011521910 557159117 /nfs/dbraw/zinc/15/91/17/557159117.db2.gz ZXPBFRLBXQXCTG-CYBMUJFWSA-N 0 0 444.582 3.563 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSc3nc4cc(OC)ccc4[nH]3)s2)cc1 ZINC000024716377 557160466 /nfs/dbraw/zinc/16/04/66/557160466.db2.gz RSHXIZRWACDBKH-UHFFFAOYSA-N 0 0 427.511 3.976 50 0 IHAARN Cc1cccc(C(=O)N2CCc3c(c(C(=O)N(C)Cc4cscn4)nn3CC3CC3)C2)c1 ZINC000014732722 557162504 /nfs/dbraw/zinc/16/25/04/557162504.db2.gz GYPAPMCWRYRZKN-UHFFFAOYSA-N 0 0 449.580 3.529 50 0 IHAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)(C)OC(C)=O)cc1 ZINC000023304607 557162959 /nfs/dbraw/zinc/16/29/59/557162959.db2.gz RMMMAEXGUODWEJ-JOCHJYFZSA-N 0 0 427.497 3.528 50 0 IHAARN NC(=O)[C@@H]1CC(C(=O)Nc2ccc(SCc3cccnc3)cc2)=NN1c1ccc(F)cc1 ZINC000024763220 557164545 /nfs/dbraw/zinc/16/45/45/557164545.db2.gz XEPAIOFWFPMOER-NRFANRHFSA-N 0 0 449.511 3.572 50 0 IHAARN Cn1c(SC[C@@H](O)COc2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000024828451 557165800 /nfs/dbraw/zinc/16/58/00/557165800.db2.gz ASIMMCQQXURFPA-KSSFIOAISA-N 0 0 433.917 3.513 50 0 IHAARN Cc1sc2ncn(CCC(=O)NC(=O)NCc3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000024830839 557170293 /nfs/dbraw/zinc/17/02/93/557170293.db2.gz ZNTGCCISPWSIPL-UHFFFAOYSA-N 0 0 446.532 3.850 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cc(C(C)C)nc4c3c(C)nn4C)CC2)cc1F ZINC000024836827 557172346 /nfs/dbraw/zinc/17/23/46/557172346.db2.gz PNRGLRZCBIWXSH-UHFFFAOYSA-N 0 0 439.535 3.506 50 0 IHAARN CCN(CC)C(=O)[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccccc1 ZINC000024843523 557173932 /nfs/dbraw/zinc/17/39/32/557173932.db2.gz CJKWHFODQDUEMY-QHCPKHFHSA-N 0 0 447.535 3.889 50 0 IHAARN Cc1ccc2nc(COC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)cc(=O)n2c1 ZINC000024849715 557174230 /nfs/dbraw/zinc/17/42/30/557174230.db2.gz JYLKIUSNTFVLFS-UHFFFAOYSA-N 0 0 434.473 3.860 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)c1 ZINC000024925220 557179884 /nfs/dbraw/zinc/17/98/84/557179884.db2.gz XOKJMQZRXCWBCV-AWEZNQCLSA-N 0 0 429.571 3.618 50 0 IHAARN COc1cccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 ZINC000009095796 557181434 /nfs/dbraw/zinc/18/14/34/557181434.db2.gz GKWKKKZHOAEGGI-CYBMUJFWSA-N 0 0 444.944 3.943 50 0 IHAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccccc1F ZINC000009095890 557181843 /nfs/dbraw/zinc/18/18/43/557181843.db2.gz WLJNQTQBJDPFSR-KRWDZBQOSA-N 0 0 427.505 3.645 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2)cc1 ZINC000009265041 557182868 /nfs/dbraw/zinc/18/28/68/557182868.db2.gz RWFKDNWIXDOCFB-UHFFFAOYSA-N 0 0 448.504 3.774 50 0 IHAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1F ZINC000000786588 557183088 /nfs/dbraw/zinc/18/30/88/557183088.db2.gz LVYGRGZAUYVYHS-UHFFFAOYSA-N 0 0 426.513 3.821 50 0 IHAARN CCc1ccc([C@H](C)NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000024978095 557184888 /nfs/dbraw/zinc/18/48/88/557184888.db2.gz NHBFFLQTUZXYQK-AWEZNQCLSA-N 0 0 428.330 3.989 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OC)c3n2CC)cc1 ZINC000100820296 557184944 /nfs/dbraw/zinc/18/49/44/557184944.db2.gz GKRPIWGVNGZPHR-DQRAZIAOSA-N 0 0 447.582 3.503 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccccc2C)CC1 ZINC000024977174 557184974 /nfs/dbraw/zinc/18/49/74/557184974.db2.gz RNPGGQDRECUOLZ-QFIPXVFZSA-N 0 0 429.948 3.509 50 0 IHAARN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 ZINC000009302739 557185494 /nfs/dbraw/zinc/18/54/94/557185494.db2.gz ORIHNNXKFKRDGL-UHFFFAOYSA-N 0 0 430.559 3.645 50 0 IHAARN Cc1cccc(C)c1OCc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000009303684 557186114 /nfs/dbraw/zinc/18/61/14/557186114.db2.gz DZGMCXNOFLWAHY-OAHLLOKOSA-N 0 0 440.525 3.859 50 0 IHAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000024991101 557187678 /nfs/dbraw/zinc/18/76/78/557187678.db2.gz MVIYALLBFBMMIO-LLVKDONJSA-N 0 0 444.388 3.778 50 0 IHAARN CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100821299 557187826 /nfs/dbraw/zinc/18/78/26/557187826.db2.gz AELDSPCDYZNADH-XDOYNYLZSA-N 0 0 449.985 3.902 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 ZINC000009526181 557190436 /nfs/dbraw/zinc/19/04/36/557190436.db2.gz SLVHERMRELKUKF-UHFFFAOYSA-N 0 0 437.569 3.513 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000025174271 557198718 /nfs/dbraw/zinc/19/87/18/557198718.db2.gz MWYFFMBFJWCHQJ-UHFFFAOYSA-N 0 0 448.951 3.572 50 0 IHAARN CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791246 557198938 /nfs/dbraw/zinc/19/89/38/557198938.db2.gz SEMDPWIKESWLTE-OCCSQVGLSA-N 0 0 443.525 3.930 50 0 IHAARN CC(C)c1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000025184041 557199145 /nfs/dbraw/zinc/19/91/45/557199145.db2.gz BBGFGINQAGLLLZ-UHFFFAOYSA-N 0 0 429.511 3.553 50 0 IHAARN Cc1ccccc1[C@H](OC[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 ZINC000025265813 557201802 /nfs/dbraw/zinc/20/18/02/557201802.db2.gz DQMGHLXEJCVLEK-RXFWQSSRSA-N 0 0 429.520 3.540 50 0 IHAARN C[C@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 ZINC000025296497 557203178 /nfs/dbraw/zinc/20/31/78/557203178.db2.gz OABFDSHMVUEYFW-CYBMUJFWSA-N 0 0 438.538 3.844 50 0 IHAARN Cc1noc(-c2ccc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cc2)n1 ZINC000025339734 557205354 /nfs/dbraw/zinc/20/53/54/557205354.db2.gz GJSXSHFFRNUYJF-UHFFFAOYSA-N 0 0 425.798 3.954 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000011599099 557207148 /nfs/dbraw/zinc/20/71/48/557207148.db2.gz SSYZEDMAXFXFKH-UHFFFAOYSA-N 0 0 435.484 3.846 50 0 IHAARN Cn1c2ccc(S(=O)(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000011615487 557211534 /nfs/dbraw/zinc/21/15/34/557211534.db2.gz ZVZLZKROOXZFMM-UHFFFAOYSA-N 0 0 445.928 3.515 50 0 IHAARN CCOC(=O)c1ccccc1O[C@H](CC)C(=O)NCC(=O)c1ccc(OC)c(Cl)c1 ZINC000011615317 557211575 /nfs/dbraw/zinc/21/15/75/557211575.db2.gz JZPZVHZOJWQTCR-GOSISDBHSA-N 0 0 433.888 3.682 50 0 IHAARN COc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000169772272 557212004 /nfs/dbraw/zinc/21/20/04/557212004.db2.gz JWRBKHODNSFJQG-UHFFFAOYSA-N 0 0 428.842 3.865 50 0 IHAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1 ZINC000011617403 557212998 /nfs/dbraw/zinc/21/29/98/557212998.db2.gz HKVDWNLDOHHUKV-UHFFFAOYSA-N 0 0 428.539 3.550 50 0 IHAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000247747056 557213815 /nfs/dbraw/zinc/21/38/15/557213815.db2.gz ROZYOYYYOJHAGZ-BPQIPLTHSA-N 0 0 440.556 3.841 50 0 IHAARN C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000025590667 557217899 /nfs/dbraw/zinc/21/78/99/557217899.db2.gz QWDMBXKDQYMAFN-RUZDIDTESA-N 0 0 433.577 3.878 50 0 IHAARN CCN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000033377946 557218101 /nfs/dbraw/zinc/21/81/01/557218101.db2.gz ZSZREHAKXWTLGT-UHFFFAOYSA-N 0 0 426.520 3.651 50 0 IHAARN COc1cc(C)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1OC ZINC000011648471 557219448 /nfs/dbraw/zinc/21/94/48/557219448.db2.gz HMEBSSJGJAXGOK-UHFFFAOYSA-N 0 0 427.526 3.691 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011650048 557219501 /nfs/dbraw/zinc/21/95/01/557219501.db2.gz SBFJPHSETADAKT-MRXNPFEDSA-N 0 0 445.285 3.519 50 0 IHAARN COc1ccc(-n2nnnc2SC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000025644196 557220312 /nfs/dbraw/zinc/22/03/12/557220312.db2.gz DAQVSXCKNOFVKY-KRWDZBQOSA-N 0 0 431.521 3.932 50 0 IHAARN CCOc1cc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cc(Cl)c1OC ZINC000024379285 557223671 /nfs/dbraw/zinc/22/36/71/557223671.db2.gz PJVJIZUTYZWKBA-CMDGGOBGSA-N 0 0 444.959 3.909 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(SCC(=O)Nc3ccccc3)c2c1C ZINC000025765158 557224854 /nfs/dbraw/zinc/22/48/54/557224854.db2.gz XEEMQMXPNZSXNN-UHFFFAOYSA-N 0 0 428.583 3.871 50 0 IHAARN O=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1ccc(Cl)cc1 ZINC000032949553 557227163 /nfs/dbraw/zinc/22/71/63/557227163.db2.gz WLZLKAWCDCINRA-UHFFFAOYSA-N 0 0 430.892 3.869 50 0 IHAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000025835688 557228177 /nfs/dbraw/zinc/22/81/77/557228177.db2.gz SNDCARWFGPDMQP-VWLOTQADSA-N 0 0 443.576 3.936 50 0 IHAARN CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000025898399 557229449 /nfs/dbraw/zinc/22/94/49/557229449.db2.gz CPZISKIRSLJRRS-NRFANRHFSA-N 0 0 426.563 3.834 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCCCn1c(=O)[nH]c2ccccc21 ZINC000025894027 557229482 /nfs/dbraw/zinc/22/94/82/557229482.db2.gz AYDZXZOGZYGKGA-UHFFFAOYSA-N 0 0 429.933 3.873 50 0 IHAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 ZINC000011612836 557230406 /nfs/dbraw/zinc/23/04/06/557230406.db2.gz NZFJKJYOYBQAHG-IBGZPJMESA-N 0 0 438.952 3.771 50 0 IHAARN CCc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000011694096 557232909 /nfs/dbraw/zinc/23/29/09/557232909.db2.gz DFPJITZAZDPMIB-UHFFFAOYSA-N 0 0 425.916 3.629 50 0 IHAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000026065681 557233161 /nfs/dbraw/zinc/23/31/61/557233161.db2.gz ARDYAPOHVHDSDP-UTKZUKDTSA-N 0 0 435.528 3.581 50 0 IHAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026091382 557234293 /nfs/dbraw/zinc/23/42/93/557234293.db2.gz AXXUOSILNFJHMK-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1 ZINC000098211729 557235164 /nfs/dbraw/zinc/23/51/64/557235164.db2.gz ZOFBLQYCBBVMDP-UHFFFAOYSA-N 0 0 426.904 3.710 50 0 IHAARN COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000098212210 557235472 /nfs/dbraw/zinc/23/54/72/557235472.db2.gz HFGCSNSXQRMMIP-INIZCTEOSA-N 0 0 427.432 3.879 50 0 IHAARN Cc1csc(=O)n1CCCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000026370237 557239704 /nfs/dbraw/zinc/23/97/04/557239704.db2.gz PICVRGKFLSISMR-UHFFFAOYSA-N 0 0 432.933 3.893 50 0 IHAARN CN1c2cc(C(=O)NCc3ccc(Br)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649091 557240064 /nfs/dbraw/zinc/24/00/64/557240064.db2.gz WCIDSQPCNFFXRN-IBGZPJMESA-N 0 0 428.330 3.781 50 0 IHAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCSc2ccccc21 ZINC000026436387 557241347 /nfs/dbraw/zinc/24/13/47/557241347.db2.gz LNHFOJQYVSXPEO-MRXNPFEDSA-N 0 0 427.507 3.813 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC[C@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000583649061 557241877 /nfs/dbraw/zinc/24/18/77/557241877.db2.gz SASOAOMQVLOGIL-OAQYLSRUSA-N 0 0 432.307 3.720 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000018154851 557243784 /nfs/dbraw/zinc/24/37/84/557243784.db2.gz UKHUTYLRVRVMRV-CALCHBBNSA-N 0 0 444.553 3.782 50 0 IHAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(-n2cncn2)cc1 ZINC000018159217 557243901 /nfs/dbraw/zinc/24/39/01/557243901.db2.gz YJCFLGWSPFWKNU-OAHLLOKOSA-N 0 0 429.509 3.618 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000100156137 557244432 /nfs/dbraw/zinc/24/44/32/557244432.db2.gz YFTZORKELJVXCX-FQEVSTJZSA-N 0 0 447.491 3.516 50 0 IHAARN COc1cc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000026687326 557246500 /nfs/dbraw/zinc/24/65/00/557246500.db2.gz VLZNLQLVRJDZQG-PXLXIMEGSA-N 0 0 441.512 3.953 50 0 IHAARN COc1cc(-c2ccc(NC(=O)[C@@H]3CCCO3)c(OC)c2)ccc1NC(=O)[C@H]1CCCO1 ZINC000013967510 557247444 /nfs/dbraw/zinc/24/74/44/557247444.db2.gz JNBCHAYFNOVUOZ-BGYRXZFFSA-N 0 0 440.496 3.606 50 0 IHAARN NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Oc2ccccc2)c1 ZINC000026757878 557247464 /nfs/dbraw/zinc/24/74/64/557247464.db2.gz KTHFHUWELITZKS-IBGZPJMESA-N 0 0 446.463 3.548 50 0 IHAARN CCOC(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000026790350 557248876 /nfs/dbraw/zinc/24/88/76/557248876.db2.gz DSAVWWVCVGJGJF-UHFFFAOYSA-N 0 0 435.322 3.501 50 0 IHAARN COC(=O)Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 ZINC000026850141 557249680 /nfs/dbraw/zinc/24/96/80/557249680.db2.gz ZPSJLPKLSBOPAZ-UHFFFAOYSA-N 0 0 428.286 3.911 50 0 IHAARN COC(=O)c1cccc(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)c1 ZINC000032952493 557250188 /nfs/dbraw/zinc/25/01/88/557250188.db2.gz BGRSWFZWLJEKLD-UHFFFAOYSA-N 0 0 429.523 3.576 50 0 IHAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000026923076 557251367 /nfs/dbraw/zinc/25/13/67/557251367.db2.gz YZNHVROMKWHQIY-DHLKQENFSA-N 0 0 436.519 3.887 50 0 IHAARN Cc1ccc(-n2c3nc(SCC(=O)NC4CCCC4)n(C)c(=O)c3sc2=S)cc1 ZINC000032952685 557252121 /nfs/dbraw/zinc/25/21/21/557252121.db2.gz UCVVGACPNXTOTI-UHFFFAOYSA-N 0 0 446.623 3.975 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000018215970 557252653 /nfs/dbraw/zinc/25/26/53/557252653.db2.gz DZPDVEXXAAOBJX-UHFFFAOYSA-N 0 0 439.825 3.790 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2OC)cc1 ZINC000027016789 557253973 /nfs/dbraw/zinc/25/39/73/557253973.db2.gz NQWGJKFVEALLCW-NRFANRHFSA-N 0 0 445.475 3.700 50 0 IHAARN Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c12 ZINC000000812763 557254057 /nfs/dbraw/zinc/25/40/57/557254057.db2.gz MVDXVCLAMWDXEC-UHFFFAOYSA-N 0 0 437.880 3.763 50 0 IHAARN O=C(NC1CCCCC1)C1(N(Cc2ccco2)C(=O)c2ccc(=O)[nH]c2)CCCCC1 ZINC000018254296 557254311 /nfs/dbraw/zinc/25/43/11/557254311.db2.gz CMJGDLMJNGIUHQ-UHFFFAOYSA-N 0 0 425.529 3.762 50 0 IHAARN O=C1/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccc(F)cc1 ZINC000027019358 557254622 /nfs/dbraw/zinc/25/46/22/557254622.db2.gz DRAIIRKTMOUFEV-QZQOTICOSA-N 0 0 427.460 3.513 50 0 IHAARN COCCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000027020246 557254824 /nfs/dbraw/zinc/25/48/24/557254824.db2.gz HJBUSEUUGTUYOA-FCQUAONHSA-N 0 0 443.594 3.880 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1 ZINC000023322185 557256252 /nfs/dbraw/zinc/25/62/52/557256252.db2.gz VKSBBTLPHJYRIA-UHFFFAOYSA-N 0 0 430.508 3.613 50 0 IHAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000027142635 557257884 /nfs/dbraw/zinc/25/78/84/557257884.db2.gz XUXHKSCAAWVIDI-HXUWFJFHSA-N 0 0 441.915 3.590 50 0 IHAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc2c(cc1Br)OCCO2 ZINC000027226204 557258878 /nfs/dbraw/zinc/25/88/78/557258878.db2.gz RCLGNEXQROWQPU-UHFFFAOYSA-N 0 0 430.258 3.842 50 0 IHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@H]2c1cc(Cl)ccc1Cl ZINC000100415257 557260052 /nfs/dbraw/zinc/26/00/52/557260052.db2.gz RYHHLDNNRPQMFE-OAHLLOKOSA-N 0 0 440.286 3.940 50 0 IHAARN C[C@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000027438976 557262196 /nfs/dbraw/zinc/26/21/96/557262196.db2.gz KFWKDSOXXCZYKP-SFHVURJKSA-N 0 0 437.559 3.776 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Br)cc1)S2 ZINC000027525596 557263424 /nfs/dbraw/zinc/26/34/24/557263424.db2.gz YAMKBEUGBMGSFH-DOTOQJQBSA-N 0 0 431.315 3.697 50 0 IHAARN Cc1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000027570177 557265817 /nfs/dbraw/zinc/26/58/17/557265817.db2.gz CXOYLVYXRHAJAY-UHFFFAOYSA-N 0 0 434.867 3.750 50 0 IHAARN COc1ccc(NC(=O)CCOc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000013019522 557266152 /nfs/dbraw/zinc/26/61/52/557266152.db2.gz YKMJWBYBWNBKQP-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000000821268 557268202 /nfs/dbraw/zinc/26/82/02/557268202.db2.gz VOACKPIXLQZCAY-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN COc1ccc(CN(Cc2coc(-c3ccc(F)cc3)n2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027654602 557268618 /nfs/dbraw/zinc/26/86/18/557268618.db2.gz GVJWKQFCHMQVEQ-FQEVSTJZSA-N 0 0 430.501 3.679 50 0 IHAARN COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000000828129 557271585 /nfs/dbraw/zinc/27/15/85/557271585.db2.gz OXQARWSRBCLWDP-UHFFFAOYSA-N 0 0 436.327 3.685 50 0 IHAARN CC(C)Oc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000027748977 557273142 /nfs/dbraw/zinc/27/31/42/557273142.db2.gz IABBGWZCVWUMKG-UHFFFAOYSA-N 0 0 435.502 3.691 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000101387998 557282411 /nfs/dbraw/zinc/28/24/11/557282411.db2.gz MFQPISHVBZQPCH-FQEVSTJZSA-N 0 0 429.517 3.880 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)[C@@H](C(C)C)C(=O)N4)CC2)c1 ZINC000101394459 557283206 /nfs/dbraw/zinc/28/32/06/557283206.db2.gz YEXHHTXYAMQLLJ-JOCHJYFZSA-N 0 0 427.570 3.506 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)c1ccc(F)c(F)c1 ZINC000014022581 557284639 /nfs/dbraw/zinc/28/46/39/557284639.db2.gz YVNHPXLRMAKGOO-GFCCVEGCSA-N 0 0 439.370 3.782 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc(CNc2c(=O)c(=O)c2NC2CCCC2)cc1 ZINC000101597076 557291257 /nfs/dbraw/zinc/29/12/57/557291257.db2.gz OTRIYJXXCRRTPN-UHFFFAOYSA-N 0 0 437.927 3.833 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1C ZINC000011666410 557298769 /nfs/dbraw/zinc/29/87/69/557298769.db2.gz RYYJNSJWGAUUDS-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000014075694 557299089 /nfs/dbraw/zinc/29/90/89/557299089.db2.gz HXYSCOANJVJRPD-UHFFFAOYSA-N 0 0 432.505 3.899 50 0 IHAARN O=C(CN1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1)N1CCCC1 ZINC000084421659 557300213 /nfs/dbraw/zinc/30/02/13/557300213.db2.gz DYLAOUURSPZAOZ-UHFFFAOYSA-N 0 0 438.519 3.569 50 0 IHAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3cccc(OC)c3)C(=O)C2)cc1 ZINC000101880586 557304936 /nfs/dbraw/zinc/30/49/36/557304936.db2.gz UNSDVEHWUVYDDJ-UHFFFAOYSA-N 0 0 442.519 3.827 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000101881555 557305439 /nfs/dbraw/zinc/30/54/39/557305439.db2.gz MWKKZBZMZJSUTD-UHFFFAOYSA-N 0 0 444.491 3.985 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102118109 557312408 /nfs/dbraw/zinc/31/24/08/557312408.db2.gz VMKGZERQGSXEMK-IXDOHACOSA-N 0 0 442.503 3.619 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000032882899 557317785 /nfs/dbraw/zinc/31/77/85/557317785.db2.gz PDXJYCONFSRVMJ-QGZVFWFLSA-N 0 0 440.569 3.660 50 0 IHAARN CCCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CCCC2 ZINC000102445274 557325707 /nfs/dbraw/zinc/32/57/07/557325707.db2.gz QYQFTVRVNLWSNO-GASCZTMLSA-N 0 0 446.569 3.698 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000033251920 557327719 /nfs/dbraw/zinc/32/77/19/557327719.db2.gz SYJSVEQRTVYBLT-GOSISDBHSA-N 0 0 438.933 3.539 50 0 IHAARN CSc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000033162071 557327914 /nfs/dbraw/zinc/32/79/14/557327914.db2.gz HUFRHXDBCMWFQU-GDNBJRDFSA-N 0 0 430.352 3.850 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1 ZINC000221980532 557330465 /nfs/dbraw/zinc/33/04/65/557330465.db2.gz NBLHQWKARXZZIG-RBBKRZOGSA-N 0 0 441.528 3.748 50 0 IHAARN CC(C)CCNC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000033302335 557331262 /nfs/dbraw/zinc/33/12/62/557331262.db2.gz KHVSQJGZMJJBJG-UHFFFAOYSA-N 0 0 442.560 3.965 50 0 IHAARN CC[C@@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)c1 ZINC000222139583 557334169 /nfs/dbraw/zinc/33/41/69/557334169.db2.gz AKUXIFWXCWERAH-XMSQKQJNSA-N 0 0 443.569 3.787 50 0 IHAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCCN1CCOCC1)c1ccccc1 ZINC000033570420 557339480 /nfs/dbraw/zinc/33/94/80/557339480.db2.gz MLWUCIZXGDOZIO-UHFFFAOYSA-N 0 0 447.944 3.572 50 0 IHAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000023335607 557348307 /nfs/dbraw/zinc/34/83/07/557348307.db2.gz BEBNDGZBSXKZLH-UHFFFAOYSA-N 0 0 432.524 3.776 50 0 IHAARN CC[C@H](C)C(=O)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000023336099 557348578 /nfs/dbraw/zinc/34/85/78/557348578.db2.gz SGMINOMUOSBDGI-AWEZNQCLSA-N 0 0 432.450 3.505 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(F)cc1Br ZINC000011679195 557352489 /nfs/dbraw/zinc/35/24/89/557352489.db2.gz XQPXGHQYGJCCAS-IBGZPJMESA-N 0 0 433.277 3.860 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220698125 557364133 /nfs/dbraw/zinc/36/41/33/557364133.db2.gz UITSJYRIHLXKDY-CABCVRRESA-N 0 0 432.496 3.570 50 0 IHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220700658 557364916 /nfs/dbraw/zinc/36/49/16/557364916.db2.gz CSYWYWVMFTUYQS-HNNXBMFYSA-N 0 0 432.455 3.812 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102706602 557366476 /nfs/dbraw/zinc/36/64/76/557366476.db2.gz RIWJAXKQAMZFDW-RJGXRXQPSA-N 0 0 430.460 3.842 50 0 IHAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 ZINC000220813361 557367238 /nfs/dbraw/zinc/36/72/38/557367238.db2.gz PJXMDSVAISWAQJ-HXUWFJFHSA-N 0 0 448.523 3.753 50 0 IHAARN Cc1c2ccccc2oc1C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000023592282 557367493 /nfs/dbraw/zinc/36/74/93/557367493.db2.gz WZRMSSGUAVIRSC-UHFFFAOYSA-N 0 0 441.505 3.568 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(Br)cc1)N1CCCN21 ZINC000102686745 557368565 /nfs/dbraw/zinc/36/85/65/557368565.db2.gz GFGPRNILPLHTFB-OKZBNKHCSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1OC ZINC000023645457 557370247 /nfs/dbraw/zinc/37/02/47/557370247.db2.gz NMJORXAFOGEFPI-LLVKDONJSA-N 0 0 427.284 3.909 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 ZINC000023687414 557371404 /nfs/dbraw/zinc/37/14/04/557371404.db2.gz SZHAAJFDJPOWHS-UHFFFAOYSA-N 0 0 437.521 3.514 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000018328416 557387197 /nfs/dbraw/zinc/38/71/97/557387197.db2.gz RGFGSBQMJKLOIL-DYVFJYSZSA-N 0 0 441.867 3.543 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccccc1O ZINC000013858110 557391462 /nfs/dbraw/zinc/39/14/62/557391462.db2.gz YJSBDGKMSOOGEY-UHFFFAOYSA-N 0 0 439.541 3.532 50 0 IHAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)c(OC)cc4C)cc3)cn2n1 ZINC000011693580 557391974 /nfs/dbraw/zinc/39/19/74/557391974.db2.gz LPVZPOYJQQLXAV-UHFFFAOYSA-N 0 0 438.509 3.831 50 0 IHAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)Nc4ccc(Cl)cc4)nn32)cc1 ZINC000011694592 557392509 /nfs/dbraw/zinc/39/25/09/557392509.db2.gz KNYZPBALSJIHKE-UHFFFAOYSA-N 0 0 438.875 3.654 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)c1OC ZINC000011695707 557393597 /nfs/dbraw/zinc/39/35/97/557393597.db2.gz FQDQSGWXVKQVBI-UHFFFAOYSA-N 0 0 426.904 3.505 50 0 IHAARN Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1cccc(F)c1 ZINC000072401267 557394382 /nfs/dbraw/zinc/39/43/82/557394382.db2.gz SKGUSYRUEPPELL-PLMLNFJUSA-N 0 0 448.545 3.891 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000004882550 557401204 /nfs/dbraw/zinc/40/12/04/557401204.db2.gz JPDBTUWNYQEMKX-QGZVFWFLSA-N 0 0 425.554 3.622 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000033471810 557401239 /nfs/dbraw/zinc/40/12/39/557401239.db2.gz VSZXSKKACWLDCL-IRUPYZNWSA-N 0 0 427.456 3.936 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033499678 557402489 /nfs/dbraw/zinc/40/24/89/557402489.db2.gz JGBSRABGMMNOIZ-SFHVURJKSA-N 0 0 436.533 3.868 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102862041 557402582 /nfs/dbraw/zinc/40/25/82/557402582.db2.gz KJVGAKSWUZWNON-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1Cl ZINC000014392535 557434939 /nfs/dbraw/zinc/43/49/39/557434939.db2.gz NNMQMSKDEBADKF-VAWYXSNFSA-N 0 0 438.981 3.984 50 0 IHAARN O=C(NCc1ccccn1)c1cc(S(=O)(=O)NC2CCCC2)c(Cl)cc1Cl ZINC000016607441 557443339 /nfs/dbraw/zinc/44/33/39/557443339.db2.gz GCLAEMLLYHTLDU-UHFFFAOYSA-N 0 0 428.341 3.539 50 0 IHAARN CC(C)[C@@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000223243756 557450486 /nfs/dbraw/zinc/45/04/86/557450486.db2.gz FUCHVZSNWOUEOM-HSZRJFAPSA-N 0 0 446.555 3.752 50 0 IHAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC)cc5OC)no4)c3CO2)cc1 ZINC000097077075 557453034 /nfs/dbraw/zinc/45/30/34/557453034.db2.gz UQXOOFXGVBGBQM-HXUWFJFHSA-N 0 0 434.452 3.897 50 0 IHAARN COc1ccc(CN(C(=O)C(C)C)c2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101861156 557457497 /nfs/dbraw/zinc/45/74/97/557457497.db2.gz XISIQSZZBUCJJZ-UHFFFAOYSA-N 0 0 445.523 3.515 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCC[C@H](C)C1)[C@H](c1cccs1)N(C)C2=O ZINC000103585567 557459286 /nfs/dbraw/zinc/45/92/86/557459286.db2.gz HYADHBUNLOWEPW-WVFSVQOHSA-N 0 0 428.554 3.934 50 0 IHAARN CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000104793839 557461901 /nfs/dbraw/zinc/46/19/01/557461901.db2.gz HLGFEKDHPNYQTH-WXRGLTTHSA-N 0 0 435.517 3.591 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 ZINC000051316720 557465116 /nfs/dbraw/zinc/46/51/16/557465116.db2.gz GNFMAADRXJNODK-UHFFFAOYSA-N 0 0 441.900 3.502 50 0 IHAARN CSc1nn(CC(=O)NCc2ccc(C)cc2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914270 557513490 /nfs/dbraw/zinc/51/34/90/557513490.db2.gz FCWUWRGVXUNCMK-UHFFFAOYSA-N 0 0 434.525 3.529 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl ZINC000036575364 557516533 /nfs/dbraw/zinc/51/65/33/557516533.db2.gz XWUDCZXMYUUTCY-SJLPKXTDSA-N 0 0 439.343 3.961 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 ZINC000003360039 557526401 /nfs/dbraw/zinc/52/64/01/557526401.db2.gz YXMOOCQFMBRMDQ-LVUASEOMSA-N 0 0 426.469 3.700 50 0 IHAARN COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000106355146 557528447 /nfs/dbraw/zinc/52/84/47/557528447.db2.gz GGLCTFDWZVKWIB-QGZVFWFLSA-N 0 0 427.526 3.558 50 0 IHAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000044803359 557537140 /nfs/dbraw/zinc/53/71/40/557537140.db2.gz MRGIHPXFERXCFL-UHFFFAOYSA-N 0 0 437.565 3.998 50 0 IHAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2ccc(OC)cc2)C1 ZINC000044803873 557537404 /nfs/dbraw/zinc/53/74/04/557537404.db2.gz DSPWOTPZXCESIC-LJQANCHMSA-N 0 0 434.540 3.960 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000044839598 557539121 /nfs/dbraw/zinc/53/91/21/557539121.db2.gz OYGREVYHPUIROA-UHFFFAOYSA-N 0 0 427.504 3.661 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000045452496 557543597 /nfs/dbraw/zinc/54/35/97/557543597.db2.gz SIMSIOLZMOYLKR-UHFFFAOYSA-N 0 0 427.526 3.962 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)N4CCCc5ccccc54)n3n2)cc1 ZINC000045939179 557548391 /nfs/dbraw/zinc/54/83/91/557548391.db2.gz BZNVVAUBIRBQMB-UHFFFAOYSA-N 0 0 445.548 3.719 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1cccnc1 ZINC000040092610 557690156 /nfs/dbraw/zinc/69/01/56/557690156.db2.gz BPTJMNRFHSRLIO-IBGZPJMESA-N 0 0 438.528 3.536 50 0 IHAARN O=C(COc1ccccc1Cc1ccccc1)N1CCn2c(Br)cnc2C1 ZINC000225468965 557726274 /nfs/dbraw/zinc/72/62/74/557726274.db2.gz SQYGRXKJDDPZNX-UHFFFAOYSA-N 0 0 426.314 3.658 50 0 IHAARN O=C(Cn1cnc2cc(F)c(F)cc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000225500741 557730955 /nfs/dbraw/zinc/73/09/55/557730955.db2.gz AIHLDYOZJRLPLS-UHFFFAOYSA-N 0 0 448.495 3.518 50 0 IHAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000225500704 557730973 /nfs/dbraw/zinc/73/09/73/557730973.db2.gz GVZKTEGYBIZGFB-XMMPIXPASA-N 0 0 449.501 3.780 50 0 IHAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000225500740 557730999 /nfs/dbraw/zinc/73/09/99/557730999.db2.gz GVZKTEGYBIZGFB-DEOSSOPVSA-N 0 0 449.501 3.780 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccc2C(=O)c2ccccc2)cc1 ZINC000225509616 557732168 /nfs/dbraw/zinc/73/21/68/557732168.db2.gz PATJDWSNCUBPLZ-UHFFFAOYSA-N 0 0 436.533 3.842 50 0 IHAARN O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Br)c(Br)s1 ZINC000029109108 557733336 /nfs/dbraw/zinc/73/33/36/557733336.db2.gz DEQQDBZOCUCXRO-UHFFFAOYSA-N 0 0 429.097 3.501 50 0 IHAARN O=C1CCc2ccccc2N1CCCc1nc(-c2nc(Br)ccc2F)no1 ZINC000225515398 557733464 /nfs/dbraw/zinc/73/34/64/557733464.db2.gz CZFVKDKKAZGISR-UHFFFAOYSA-N 0 0 431.265 3.945 50 0 IHAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000225519241 557734580 /nfs/dbraw/zinc/73/45/80/557734580.db2.gz FHELCCYXEMSBHD-DEOSSOPVSA-N 0 0 449.501 3.780 50 0 IHAARN COc1cc2c(cc1F)ncc(I)c2N1CC[C@]2(CCOC2)C1 ZINC000225541998 557739252 /nfs/dbraw/zinc/73/92/52/557739252.db2.gz GWOGWIAEKRQNMU-KRWDZBQOSA-N 0 0 428.245 3.604 50 0 IHAARN COCCOCCOc1ccc(CN2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000225573566 557744991 /nfs/dbraw/zinc/74/49/91/557744991.db2.gz FPIHWRCOTRHVOT-LJQANCHMSA-N 0 0 434.527 3.885 50 0 IHAARN CC(C)NC(=O)C1CCN(C(=O)c2c(Br)cccc2Br)CC1 ZINC000225605234 557750398 /nfs/dbraw/zinc/75/03/98/557750398.db2.gz RKNRLKAHUKQGOI-UHFFFAOYSA-N 0 0 432.156 3.588 50 0 IHAARN O=C(COc1ccccc1OCC(F)(F)F)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000225608096 557750864 /nfs/dbraw/zinc/75/08/64/557750864.db2.gz BBUCYIHEXOGRID-CQSZACIVSA-N 0 0 428.382 3.611 50 0 IHAARN CC(C)(C)OC(=O)NCc1cc(NC(=O)CN2CCCCC2=O)cc(C(F)(F)F)c1 ZINC000225629116 557754175 /nfs/dbraw/zinc/75/41/75/557754175.db2.gz TVJZQBICAOYCQB-UHFFFAOYSA-N 0 0 429.439 3.681 50 0 IHAARN O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCC2(CC1)OCCO2 ZINC000024998149 557830607 /nfs/dbraw/zinc/83/06/07/557830607.db2.gz CYKSTJUPZJSONY-UHFFFAOYSA-N 0 0 430.298 3.659 50 0 IHAARN Cc1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000850866 557830810 /nfs/dbraw/zinc/83/08/10/557830810.db2.gz GACDSWQMTHFUOV-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 IHAARN O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(I)cc1 ZINC000000855944 557831400 /nfs/dbraw/zinc/83/14/00/557831400.db2.gz QHSVCHXOAWXNTL-XCVCLJGOSA-N 0 0 426.254 3.957 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229276584 557831987 /nfs/dbraw/zinc/83/19/87/557831987.db2.gz QKZNKWQSIGMSFR-AISVETHESA-N 0 0 443.613 3.997 50 0 IHAARN CCN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000869194 557840425 /nfs/dbraw/zinc/84/04/25/557840425.db2.gz VCPQMPPAUXYLOS-QHCPKHFHSA-N 0 0 438.524 3.994 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@H](CNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000239539161 557844830 /nfs/dbraw/zinc/84/48/30/557844830.db2.gz AVPNJILJPFIILA-KCQAQPDRSA-N 0 0 438.318 3.654 50 0 IHAARN O=CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000241815945 557847042 /nfs/dbraw/zinc/84/70/42/557847042.db2.gz SEIIDCLSHFIROO-OXJNMPFZSA-N 0 0 438.330 3.575 50 0 IHAARN CC(C)n1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N2CCC(C)CC2)c1 ZINC000015002712 557848434 /nfs/dbraw/zinc/84/84/34/557848434.db2.gz OPYSBYRGLKYWQL-UHFFFAOYSA-N 0 0 443.975 3.927 50 0 IHAARN CCOc1cc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc(OCC)c1OCC ZINC000001070962 562920226 /nfs/dbraw/zinc/92/02/26/562920226.db2.gz DHYIXQLTBXWVLU-UHFFFAOYSA-N 0 0 449.504 3.705 50 0 IHAARN O=C(NCSc1ccnc(SCNC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000002195421 562926187 /nfs/dbraw/zinc/92/61/87/562926187.db2.gz LFBMKXWDSPGPGD-UHFFFAOYSA-N 0 0 446.504 3.714 50 0 IHAARN COC(=O)c1cc(S(=O)(=O)n2nc(C)c(Br)c2C)c(Cl)cc1Cl ZINC000002269585 562926710 /nfs/dbraw/zinc/92/67/10/562926710.db2.gz VRCBXMSAURUAFF-UHFFFAOYSA-N 0 0 442.118 3.593 50 0 IHAARN Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 ZINC000002461718 562928094 /nfs/dbraw/zinc/92/80/94/562928094.db2.gz NSTOKCDZWPTBOF-UHFFFAOYSA-N 0 0 425.535 3.867 50 0 IHAARN Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccncc3)cc(C(=O)N3CCOCC3)c12 ZINC000002638177 562928996 /nfs/dbraw/zinc/92/89/96/562928996.db2.gz PAHGNARFWWHEDK-UHFFFAOYSA-N 0 0 433.899 3.917 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3-c3ccccc3SC4)C2)cc1 ZINC000002638050 562929004 /nfs/dbraw/zinc/92/90/04/562929004.db2.gz ZCBUWBFXMDMHPB-MRXNPFEDSA-N 0 0 426.567 3.750 50 0 IHAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)cc1 ZINC000002719861 562929904 /nfs/dbraw/zinc/92/99/04/562929904.db2.gz XFQSUAZDSWJSMR-UHFFFAOYSA-N 0 0 425.535 3.620 50 0 IHAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccc2c(c1)OCO2 ZINC000002948282 562931048 /nfs/dbraw/zinc/93/10/48/562931048.db2.gz AJFCJUXKVQREAZ-UHFFFAOYSA-N 0 0 446.532 3.941 50 0 IHAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)C)cc1 ZINC000002976760 562931439 /nfs/dbraw/zinc/93/14/39/562931439.db2.gz UDHFFVHMEFQFRJ-HXUWFJFHSA-N 0 0 427.497 3.651 50 0 IHAARN COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003252220 562933333 /nfs/dbraw/zinc/93/33/33/562933333.db2.gz BHGQOQRWPQERHI-UHFFFAOYSA-N 0 0 444.443 3.755 50 0 IHAARN CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000003284453 562933693 /nfs/dbraw/zinc/93/36/93/562933693.db2.gz RAZRWNUIQWSUKT-QHCPKHFHSA-N 0 0 437.492 3.998 50 0 IHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003543621 562936431 /nfs/dbraw/zinc/93/64/31/562936431.db2.gz HSGDQQZUHAZWSR-UHFFFAOYSA-N 0 0 428.539 3.632 50 0 IHAARN C[C@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000004003634 562940600 /nfs/dbraw/zinc/94/06/00/562940600.db2.gz HUYDUQHAOMXYAB-MBSDFSHPSA-N 0 0 439.519 3.782 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004034757 562940926 /nfs/dbraw/zinc/94/09/26/562940926.db2.gz YEVYBODZMZJTEV-UHFFFAOYSA-N 0 0 429.517 3.595 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000004077698 562941507 /nfs/dbraw/zinc/94/15/07/562941507.db2.gz VYWRWCKYYPGACQ-HNNXBMFYSA-N 0 0 438.571 3.585 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000004090544 562941677 /nfs/dbraw/zinc/94/16/77/562941677.db2.gz GWIGPCOQOMVZJF-KIUWMYQTSA-N 0 0 427.497 3.889 50 0 biogenic IHAARN Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1CCc1ccccc1 ZINC000006577261 562947563 /nfs/dbraw/zinc/94/75/63/562947563.db2.gz KYQJSPXQAWFYNQ-UHFFFAOYSA-N 0 0 437.613 3.945 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3c(C)cccc3C)c(C)o2)c1 ZINC000006577826 562947895 /nfs/dbraw/zinc/94/78/95/562947895.db2.gz JRDCOWBRALIHSB-UHFFFAOYSA-N 0 0 428.510 3.829 50 0 IHAARN C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC(C)CC1 ZINC000007389289 562948714 /nfs/dbraw/zinc/94/87/14/562948714.db2.gz RQIWRBKCHOXGHD-INIZCTEOSA-N 0 0 427.998 3.574 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cnc(SC)nc2-c2ccccc2)cc(C(=O)OC)c1 ZINC000008583796 562949871 /nfs/dbraw/zinc/94/98/71/562949871.db2.gz UPEHNNUKUCEGBY-UHFFFAOYSA-N 0 0 437.477 3.691 50 0 IHAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCCCC4)c(O)c3c2)cc1 ZINC000008584632 562950093 /nfs/dbraw/zinc/95/00/93/562950093.db2.gz XKKWRVSQNGZYDD-UHFFFAOYSA-N 0 0 439.537 3.517 50 0 IHAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc(OC)c1OC ZINC000008590362 562951651 /nfs/dbraw/zinc/95/16/51/562951651.db2.gz KWEUXHLMIDDVKR-OAQYLSRUSA-N 0 0 444.443 3.964 50 0 IHAARN COc1cc2c(C(=O)Nc3ccc(C)cc3Br)cn(C)c(=O)c2cc1OC ZINC000008591716 562952138 /nfs/dbraw/zinc/95/21/38/562952138.db2.gz SFQWGWXXBLWPOV-UHFFFAOYSA-N 0 0 431.286 3.879 50 0 IHAARN CCOCCCNC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1 ZINC000008593073 562952565 /nfs/dbraw/zinc/95/25/65/562952565.db2.gz QFNJNVWVVZRACB-UHFFFAOYSA-N 0 0 442.537 3.780 50 0 IHAARN CCCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000008593373 562952631 /nfs/dbraw/zinc/95/26/31/562952631.db2.gz WPJHIQMVXCARBG-UHFFFAOYSA-N 0 0 427.932 3.561 50 0 IHAARN Cc1ccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c(Cl)c1 ZINC000008594351 562952980 /nfs/dbraw/zinc/95/29/80/562952980.db2.gz LUVDJIXCAATXDB-UHFFFAOYSA-N 0 0 435.977 3.656 50 0 IHAARN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)s2)c1 ZINC000008594562 562953099 /nfs/dbraw/zinc/95/30/99/562953099.db2.gz PYPJRDAMCVXYGP-UHFFFAOYSA-N 0 0 436.946 3.573 50 0 aggregator IHAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NC4CCCC4)c(O)c3c2)cc1 ZINC000008595123 562953285 /nfs/dbraw/zinc/95/32/85/562953285.db2.gz RALARCMDNLCFQN-UHFFFAOYSA-N 0 0 439.537 3.564 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000008595524 562953543 /nfs/dbraw/zinc/95/35/43/562953543.db2.gz SIDQODFLHSBNLX-INIZCTEOSA-N 0 0 427.526 3.673 50 0 IHAARN CCN1c2cc(C(=O)NCc3ccc(F)cc3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000008597354 562953961 /nfs/dbraw/zinc/95/39/61/562953961.db2.gz FJIIMBQHRVFSCE-UHFFFAOYSA-N 0 0 438.480 3.569 50 0 IHAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000008598591 562954312 /nfs/dbraw/zinc/95/43/12/562954312.db2.gz OWYDGOUOYCEVMW-UHFFFAOYSA-N 0 0 449.530 3.811 50 0 IHAARN CCc1ccc(C(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000008599062 562954559 /nfs/dbraw/zinc/95/45/59/562954559.db2.gz XTKFOZNHHQCRQP-UHFFFAOYSA-N 0 0 431.536 3.947 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2F)c2nc(C)ccc2c1=O ZINC000008599300 562954626 /nfs/dbraw/zinc/95/46/26/562954626.db2.gz BYWFJOOXQDFVTK-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN CCOc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)cc1OC ZINC000008600149 562954909 /nfs/dbraw/zinc/95/49/09/562954909.db2.gz SNYGDIVOMIKWJS-UHFFFAOYSA-N 0 0 441.557 3.656 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)sc2nc[nH]c(=O)c12 ZINC000008600238 562954982 /nfs/dbraw/zinc/95/49/82/562954982.db2.gz DNSWERAJRQIECG-UHFFFAOYSA-N 0 0 448.907 3.576 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000008600337 562955049 /nfs/dbraw/zinc/95/50/49/562955049.db2.gz NSAYXDBRBQRXJF-UHFFFAOYSA-N 0 0 435.528 3.631 50 0 IHAARN COc1ccc(CCC(=O)NCc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000008600635 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425.554 3.540 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C1 ZINC000044273002 568750388 /nfs/dbraw/zinc/75/03/88/568750388.db2.gz ITEUKUJKJGEHBI-ZIAGYGMSSA-N 0 0 430.555 3.610 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)c1ccccc1 ZINC000003524469 568750486 /nfs/dbraw/zinc/75/04/86/568750486.db2.gz XHWJZVZMTINFHL-UHFFFAOYSA-N 0 0 429.428 3.531 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000003640222 568752383 /nfs/dbraw/zinc/75/23/83/568752383.db2.gz XOKTVGGSISHFEP-MRXNPFEDSA-N 0 0 429.325 3.833 50 0 IHAARN O=C(Cc1ccc(Cl)cc1Cl)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000015317694 568755341 /nfs/dbraw/zinc/75/53/41/568755341.db2.gz ZQEDPLCMQWKORP-PXNMLYILSA-N 0 0 436.320 3.784 50 0 IHAARN Cc1nonc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1F ZINC000299758730 568755443 /nfs/dbraw/zinc/75/54/43/568755443.db2.gz OXEMNSNOIPLEMW-NQIIRXRSSA-N 0 0 444.507 3.708 50 0 IHAARN COc1cc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)cc(OC)c1 ZINC000299767529 568756433 /nfs/dbraw/zinc/75/64/33/568756433.db2.gz LNPVKEWTMKTVKG-VXKWHMMOSA-N 0 0 430.545 3.857 50 0 IHAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)CCc2c[nH]c4ccccc24)CC3)n1 ZINC000299779101 568757005 /nfs/dbraw/zinc/75/70/05/568757005.db2.gz SMYFOPKDDZYNME-JOCHJYFZSA-N 0 0 430.552 3.749 50 0 IHAARN COCc1c(C(=O)N2CCCC[C@@H]2c2cccnc2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299795131 568757990 /nfs/dbraw/zinc/75/79/90/568757990.db2.gz KHBCYDLJBBJJQA-HXUWFJFHSA-N 0 0 444.495 3.831 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3F)c12 ZINC000019167508 568758325 /nfs/dbraw/zinc/75/83/25/568758325.db2.gz BEAZQSLPTPKKLL-OAHLLOKOSA-N 0 0 442.516 3.677 50 0 IHAARN CC(C)Cc1nnc(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)[nH]1 ZINC000263588676 568761092 /nfs/dbraw/zinc/76/10/92/568761092.db2.gz WZGVPZWOTDOGRY-KRWDZBQOSA-N 0 0 440.548 3.569 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn21)NCc1ccco1 ZINC000015391421 568761517 /nfs/dbraw/zinc/76/15/17/568761517.db2.gz PTTXTTAVTOGTHP-UHFFFAOYSA-N 0 0 444.314 3.555 50 0 IHAARN CCOc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000015391227 568761543 /nfs/dbraw/zinc/76/15/43/568761543.db2.gz OCLJHBDOGLCABN-QGZVFWFLSA-N 0 0 432.542 3.666 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1OC ZINC000015391572 568761809 /nfs/dbraw/zinc/76/18/09/568761809.db2.gz CJYUVGZOKGVRPA-INIZCTEOSA-N 0 0 444.487 3.863 50 0 IHAARN O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015431652 568762128 /nfs/dbraw/zinc/76/21/28/568762128.db2.gz NEOXSOIBUFUTCG-UHFFFAOYSA-N 0 0 438.933 3.841 50 0 IHAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000001247056 568774659 /nfs/dbraw/zinc/77/46/59/568774659.db2.gz CMXFDWPJNKTELY-LBPRGKRZSA-N 0 0 430.551 3.952 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4Br)c3CO2)cc1 ZINC000263615211 568776004 /nfs/dbraw/zinc/77/60/04/568776004.db2.gz BEPBPUAAHXENHZ-KRWDZBQOSA-N 0 0 447.264 3.712 50 0 IHAARN Cc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)c1 ZINC000263615874 568776125 /nfs/dbraw/zinc/77/61/25/568776125.db2.gz FQUXRCDSVMEWIK-SFHVURJKSA-N 0 0 427.302 3.551 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4cccc(Br)c4)ccn3n2)c1 ZINC000263616344 568776576 /nfs/dbraw/zinc/77/65/76/568776576.db2.gz IEGNFOIDJFKYOG-HXUWFJFHSA-N 0 0 440.297 3.668 50 0 IHAARN O=c1c2cc(-c3ccc(F)cc3)nn2ccn1C[C@H](O)c1cccc(Br)c1 ZINC000263618793 568777594 /nfs/dbraw/zinc/77/75/94/568777594.db2.gz VPHXJHSYFMUYKD-IBGZPJMESA-N 0 0 428.261 3.798 50 0 IHAARN COc1ccc(-c2nn3ccn(Cc4ccccc4C(F)(F)F)c(=O)c3c2CO)cc1 ZINC000263619144 568777864 /nfs/dbraw/zinc/77/78/64/568777864.db2.gz XEJSLZHCBTXWCN-UHFFFAOYSA-N 0 0 429.398 3.731 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)cc1 ZINC000001302797 568779182 /nfs/dbraw/zinc/77/91/82/568779182.db2.gz FLGAWOWZXMEKQY-UHFFFAOYSA-N 0 0 445.566 3.586 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4cnnc4s3)cc2)c(Cl)c1 ZINC000004124905 568780909 /nfs/dbraw/zinc/78/09/09/568780909.db2.gz OCTNXTRNYHQYTQ-UHFFFAOYSA-N 0 0 428.930 3.941 50 0 IHAARN O=C(OCC(F)(F)F)[C@@H]1CCCC[C@@H]1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004127342 568781013 /nfs/dbraw/zinc/78/10/13/568781013.db2.gz OXHIKTRZTJORNN-JKQUEYGFSA-N 0 0 431.495 4.000 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccc(C(N)=O)cc1)OC(C)(C)CC3 ZINC000032123897 568781698 /nfs/dbraw/zinc/78/16/98/568781698.db2.gz WMGGAQBYFPSORR-UHFFFAOYSA-N 0 0 434.492 3.875 50 0 biogenic IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccccc4CC)n3n2)cc1 ZINC000045939060 568783450 /nfs/dbraw/zinc/78/34/50/568783450.db2.gz LJWWTTMUJDDOSF-UHFFFAOYSA-N 0 0 433.537 3.940 50 0 IHAARN CCc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)cccc3F)n2)cc1NC(C)=O ZINC000016649250 568791020 /nfs/dbraw/zinc/79/10/20/568791020.db2.gz MOCATZGXUBOVST-CYBMUJFWSA-N 0 0 440.450 3.909 50 0 IHAARN CSc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCCCC1 ZINC000016661361 568791489 /nfs/dbraw/zinc/79/14/89/568791489.db2.gz NGJVHVNQMHTCQU-UHFFFAOYSA-N 0 0 447.582 3.794 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(Br)c(C)c2)c(C)c1I ZINC000001430671 568794515 /nfs/dbraw/zinc/79/45/15/568794515.db2.gz YHYZKEYSSSRQRX-UHFFFAOYSA-N 0 0 448.102 3.814 50 0 IHAARN CCCCCC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000078822637 568794970 /nfs/dbraw/zinc/79/49/70/568794970.db2.gz SBHFNPPDKYJESZ-UHFFFAOYSA-N 0 0 446.407 3.811 50 0 IHAARN O=C(Nc1cccc2ncccc21)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000084493457 568798077 /nfs/dbraw/zinc/79/80/77/568798077.db2.gz LHRUPGUXRURNRO-IBGZPJMESA-N 0 0 440.297 3.536 50 0 IHAARN O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000084563023 568798818 /nfs/dbraw/zinc/79/88/18/568798818.db2.gz YDYNAXIQZRYHIC-HNNXBMFYSA-N 0 0 440.297 3.773 50 0 IHAARN O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000084595003 568799051 /nfs/dbraw/zinc/79/90/51/568799051.db2.gz KVNHLXSVQYEYTD-IEBWSBKVSA-N 0 0 426.513 3.742 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000084798501 568801585 /nfs/dbraw/zinc/80/15/85/568801585.db2.gz PRGQHZONFGXFBG-QGZVFWFLSA-N 0 0 446.569 3.791 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3C)n2)cc1 ZINC000015670169 568802113 /nfs/dbraw/zinc/80/21/13/568802113.db2.gz FPCLMWRRMFPTCK-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3)n2)cc1 ZINC000015670256 568802186 /nfs/dbraw/zinc/80/21/86/568802186.db2.gz NSYNTELUIMVXJD-GOSISDBHSA-N 0 0 430.443 3.655 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCc1ccccc1 ZINC000015722176 568811934 /nfs/dbraw/zinc/81/19/34/568811934.db2.gz MNKZXFWEKPLIOP-UHFFFAOYSA-N 0 0 439.581 3.565 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 ZINC000015728374 568813133 /nfs/dbraw/zinc/81/31/33/568813133.db2.gz PITDEMQIHNNKGZ-UHFFFAOYSA-N 0 0 439.581 3.956 50 0 IHAARN COc1ccc(-c2nc(SCc3cc(=O)n4nc(-c5ccccc5)sc4n3)n[nH]2)cc1 ZINC000015731915 568815133 /nfs/dbraw/zinc/81/51/33/568815133.db2.gz LASHGDPZTHISPT-UHFFFAOYSA-N 0 0 448.533 3.904 50 0 IHAARN C[C@@H](NC(=O)CN1c2ccccc2Sc2ncccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000015736035 568817288 /nfs/dbraw/zinc/81/72/88/568817288.db2.gz DKMFMNGQKXMSFU-OAHLLOKOSA-N 0 0 447.516 3.842 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NCCC1=CCCCC1 ZINC000006066484 568820438 /nfs/dbraw/zinc/82/04/38/568820438.db2.gz KTRZBYJKOFZVRQ-SFHVURJKSA-N 0 0 427.570 3.674 50 0 IHAARN CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000015772122 568822671 /nfs/dbraw/zinc/82/26/71/568822671.db2.gz KAGMCIINJRBYKU-UHFFFAOYSA-N 0 0 440.525 3.904 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000015772358 568822791 /nfs/dbraw/zinc/82/27/91/568822791.db2.gz UAOUZYVXNDRRRA-UHFFFAOYSA-N 0 0 447.447 3.604 50 0 IHAARN CCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4)c3)cc2=O)s1 ZINC000015772414 568822823 /nfs/dbraw/zinc/82/28/23/568822823.db2.gz CYIHUMFFDSZLJY-UHFFFAOYSA-N 0 0 448.504 3.713 50 0 IHAARN COc1ccc(CCC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781263 568825814 /nfs/dbraw/zinc/82/58/14/568825814.db2.gz JLIMQFXWKAMXQG-QFIPXVFZSA-N 0 0 445.512 4.000 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c3noc(C)c32)cc1 ZINC000085593002 568825935 /nfs/dbraw/zinc/82/59/35/568825935.db2.gz FIQOWIABNOQVTC-UHFFFAOYSA-N 0 0 438.871 3.969 50 0 IHAARN CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@@H]3C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000137433189 568826025 /nfs/dbraw/zinc/82/60/25/568826025.db2.gz YKXHUDXDHCUGIF-XCHBFRLNSA-N 0 0 428.481 3.582 50 0 biogenic IHAARN O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Cl)s1 ZINC000015783864 568826580 /nfs/dbraw/zinc/82/65/80/568826580.db2.gz OPVKEYUSZIKGOV-UHFFFAOYSA-N 0 0 430.989 3.755 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)ccc21 ZINC000015784250 568826772 /nfs/dbraw/zinc/82/67/72/568826772.db2.gz CJEZPHICLZSUPI-SFHVURJKSA-N 0 0 439.581 3.939 50 0 IHAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O ZINC000015783421 568826773 /nfs/dbraw/zinc/82/67/73/568826773.db2.gz AAZGNEPMFRNKNJ-FQEVSTJZSA-N 0 0 434.565 3.783 50 0 IHAARN Cc1[nH]c(C(=O)NCc2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598296 568827278 /nfs/dbraw/zinc/82/72/78/568827278.db2.gz KFYSOGIZDCMWFJ-UHFFFAOYSA-N 0 0 447.601 3.913 50 0 IHAARN COc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1OC ZINC000085642050 568828878 /nfs/dbraw/zinc/82/88/78/568828878.db2.gz WEOVSXZGUTZEPQ-UHFFFAOYSA-N 0 0 429.498 3.595 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000085649952 568831313 /nfs/dbraw/zinc/83/13/13/568831313.db2.gz PBPLYYGPRNFHBW-UHFFFAOYSA-N 0 0 433.961 3.940 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)c1 ZINC000085654137 568832422 /nfs/dbraw/zinc/83/24/22/568832422.db2.gz JEJDODPECHDTMG-UHFFFAOYSA-N 0 0 430.552 3.819 50 0 IHAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc(OC)c1OC ZINC000002502853 568838404 /nfs/dbraw/zinc/83/84/04/568838404.db2.gz GHQBJWWIMAZMHI-LJQANCHMSA-N 0 0 448.541 3.562 50 0 IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccnn3C)CC(=O)O4)c2=O)cc1 ZINC000085878139 568838692 /nfs/dbraw/zinc/83/86/92/568838692.db2.gz YLYCKDFZQIHLPE-HNNXBMFYSA-N 0 0 432.432 3.652 50 0 biogenic IHAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCc1ccco1 ZINC000085878043 568838743 /nfs/dbraw/zinc/83/87/43/568838743.db2.gz GVDFDCKHEZFSBA-UHFFFAOYSA-N 0 0 438.487 3.874 50 0 biogenic IHAARN Cc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)n3c2)cc1 ZINC000015829576 568841376 /nfs/dbraw/zinc/84/13/76/568841376.db2.gz GWZCWSSXDHOGTF-UHFFFAOYSA-N 0 0 449.898 3.657 50 0 IHAARN COc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@H]3[C@@H](COCc3ccccc3)O[C@H]2OC)cc1 ZINC000257355521 568844111 /nfs/dbraw/zinc/84/41/11/568844111.db2.gz BAIZHVCQJXUTMV-QWQGWLCTSA-N 0 0 444.524 3.689 50 0 IHAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O ZINC000015843246 568844636 /nfs/dbraw/zinc/84/46/36/568844636.db2.gz LOGSEEBJCLICNY-UHFFFAOYSA-N 0 0 426.416 3.660 50 0 IHAARN Cc1cccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)c1 ZINC000006142362 568845367 /nfs/dbraw/zinc/84/53/67/568845367.db2.gz KGRXKQPYJIBNJG-DHIUTWEWSA-N 0 0 449.528 3.664 50 0 IHAARN Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 ZINC000006142359 568845391 /nfs/dbraw/zinc/84/53/91/568845391.db2.gz BUJCHVLKNJBRLM-XZOQPEGZSA-N 0 0 449.528 3.664 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCn2ccnc2)cc1 ZINC000006143835 568845874 /nfs/dbraw/zinc/84/58/74/568845874.db2.gz LPGOUBKYUPUIAO-QNGOZBTKSA-N 0 0 438.915 3.523 50 0 IHAARN COC(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1c[nH]c(-c2ccc(Br)cc2)n1)C(C)C ZINC000575332195 568848843 /nfs/dbraw/zinc/84/88/43/568848843.db2.gz XOAUQHHFFFBSMB-IAGOWNOFSA-N 0 0 449.349 3.883 50 0 IHAARN Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)Nc2ccc(Br)cc2C)c1C ZINC000015866605 568850829 /nfs/dbraw/zinc/85/08/29/568850829.db2.gz WHEHXJLEHDCXKA-UHFFFAOYSA-N 0 0 448.342 3.925 50 0 IHAARN Cc1cc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)ccc1Br ZINC000015866604 568850886 /nfs/dbraw/zinc/85/08/86/568850886.db2.gz QTWLDIVPRSAINT-UHFFFAOYSA-N 0 0 448.342 3.925 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nn1 ZINC000015880838 568854420 /nfs/dbraw/zinc/85/44/20/568854420.db2.gz GGWSFFNQBSDCEC-UHFFFAOYSA-N 0 0 446.326 3.952 50 0 IHAARN COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1 ZINC000015883360 568857667 /nfs/dbraw/zinc/85/76/67/568857667.db2.gz VJLMBVYRNZHPSS-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 ZINC000015999091 568862326 /nfs/dbraw/zinc/86/23/26/568862326.db2.gz KOBUFEKEZOUFMN-IUODEOHRSA-N 0 0 427.498 3.795 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 ZINC000016047527 568869043 /nfs/dbraw/zinc/86/90/43/568869043.db2.gz PWEOATYQDMZDEJ-UHFFFAOYSA-N 0 0 440.481 3.764 50 0 IHAARN C[C@@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000575443901 568869742 /nfs/dbraw/zinc/86/97/42/568869742.db2.gz UUSNRMBIHDMANV-SANMLTNESA-N 0 0 446.551 3.567 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000012948553 568871574 /nfs/dbraw/zinc/87/15/74/568871574.db2.gz KROYLVHVUGZUAA-UHFFFAOYSA-N 0 0 438.553 3.537 50 0 IHAARN Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 ZINC000575612930 568879659 /nfs/dbraw/zinc/87/96/59/568879659.db2.gz DNXAPXZZOJNMSY-CYBMUJFWSA-N 0 0 446.417 3.953 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000026519313 568880055 /nfs/dbraw/zinc/88/00/55/568880055.db2.gz XCJHCVALLMXSMG-UHFFFAOYSA-N 0 0 437.334 3.859 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](n4c(C)nc5ccccc54)C3)[nH]n2)c1 ZINC000575614964 568881126 /nfs/dbraw/zinc/88/11/26/568881126.db2.gz AQPAVFDJWXFIEQ-INIZCTEOSA-N 0 0 431.496 3.839 50 0 IHAARN Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)cn1 ZINC000575615076 568881174 /nfs/dbraw/zinc/88/11/74/568881174.db2.gz BTBFKVRPICDCBD-UHFFFAOYSA-N 0 0 430.839 3.633 50 0 IHAARN COc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102426427 568884822 /nfs/dbraw/zinc/88/48/22/568884822.db2.gz SQGOXQBKKJARRT-UHFFFAOYSA-N 0 0 430.464 3.595 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)CSc4ccc(F)cc4)CC3)nc2)no1 ZINC000090558861 568887799 /nfs/dbraw/zinc/88/77/99/568887799.db2.gz CWCKJCTWTRIPMC-UHFFFAOYSA-N 0 0 441.532 3.835 50 0 IHAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000090594501 568889099 /nfs/dbraw/zinc/88/90/99/568889099.db2.gz UMJDINYWCPPWLV-MRXNPFEDSA-N 0 0 438.871 3.805 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000090594459 568889161 /nfs/dbraw/zinc/88/91/61/568889161.db2.gz OGJXIQQDAZEHSS-IBGZPJMESA-N 0 0 448.479 3.566 50 0 IHAARN Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000090607923 568890660 /nfs/dbraw/zinc/89/06/60/568890660.db2.gz JWFHLKHQQKJPLR-UHFFFAOYSA-N 0 0 426.883 3.679 50 0 IHAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000012978953 568891871 /nfs/dbraw/zinc/89/18/71/568891871.db2.gz ULMRUVIOWZENJK-UHFFFAOYSA-N 0 0 436.508 3.639 50 0 IHAARN O=C(COC(=O)C1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1Br ZINC000064188593 568893662 /nfs/dbraw/zinc/89/36/62/568893662.db2.gz SJYRFPMKKPVMST-UHFFFAOYSA-N 0 0 447.281 3.652 50 0 IHAARN Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccc(Cl)c2C)nn1-c1ccc(Cl)cc1 ZINC000012982947 568894857 /nfs/dbraw/zinc/89/48/57/568894857.db2.gz GPAYBCPVLBQKQW-UHFFFAOYSA-N 0 0 445.306 3.525 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1F ZINC000090750053 568898237 /nfs/dbraw/zinc/89/82/37/568898237.db2.gz JRBIFTRGNOUTQI-GOSISDBHSA-N 0 0 427.544 3.908 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c(C)c1 ZINC000013011209 568900041 /nfs/dbraw/zinc/90/00/41/568900041.db2.gz JYBCCRWEJVRUIW-UHFFFAOYSA-N 0 0 442.512 3.849 50 0 IHAARN COc1ccc2oc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)c(C)c2c1 ZINC000013010946 568900064 /nfs/dbraw/zinc/90/00/64/568900064.db2.gz UJEZPVCXWXLPOQ-QGZVFWFLSA-N 0 0 447.491 3.808 50 0 IHAARN COc1ccc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000013010813 568900171 /nfs/dbraw/zinc/90/01/71/568900171.db2.gz INQLFDLOJWPQMY-UHFFFAOYSA-N 0 0 434.558 3.688 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Br)s2)c1 ZINC000013012159 568900993 /nfs/dbraw/zinc/90/09/93/568900993.db2.gz ZFKNGRMAFLEXKB-UHFFFAOYSA-N 0 0 447.376 3.802 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000013013430 568901713 /nfs/dbraw/zinc/90/17/13/568901713.db2.gz YCDIFDUDYUFMMM-UHFFFAOYSA-N 0 0 431.540 3.821 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCCCC1 ZINC000016475622 568908819 /nfs/dbraw/zinc/90/88/19/568908819.db2.gz XAMLNUHLIXBMLF-UHFFFAOYSA-N 0 0 442.459 3.898 50 0 IHAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(O)c3)C2)c1 ZINC000089274561 568909857 /nfs/dbraw/zinc/90/98/57/568909857.db2.gz OSRIRUMKKLFLLQ-HXUWFJFHSA-N 0 0 439.493 3.738 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000240423817 568911976 /nfs/dbraw/zinc/91/19/76/568911976.db2.gz FRCKNUJHOKRELR-OTWHNJEPSA-N 0 0 430.545 3.761 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000245329041 568915392 /nfs/dbraw/zinc/91/53/92/568915392.db2.gz XCJDYDWRJGYROE-OKYOBFRVSA-N 0 0 447.293 3.968 50 0 IHAARN COC(=O)c1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000001904958 568919534 /nfs/dbraw/zinc/91/95/34/568919534.db2.gz BWGBUFCATGWPED-UHFFFAOYSA-N 0 0 440.521 3.819 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1cccc(Cl)c1 ZINC000001985103 568924141 /nfs/dbraw/zinc/92/41/41/568924141.db2.gz BPCLYYGUUOPLMQ-UHFFFAOYSA-N 0 0 448.862 3.932 50 0 IHAARN COc1cc(I)c(Cl)cc1C(=O)NCCC[C@H]1CCC[C@H]1O ZINC000089420780 568924447 /nfs/dbraw/zinc/92/44/47/568924447.db2.gz PPHHIPAERXJIBA-QMTHXVAHSA-N 0 0 437.705 3.624 50 0 IHAARN COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc(OC)c1OC ZINC000001148975 568924759 /nfs/dbraw/zinc/92/47/59/568924759.db2.gz QNNMRNJQKZRRPT-OAHLLOKOSA-N 0 0 433.464 3.667 50 0 biogenic IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)n2N)cc1 ZINC000089444076 568925148 /nfs/dbraw/zinc/92/51/48/568925148.db2.gz NMEBEZPAVQFSEG-UHFFFAOYSA-N 0 0 445.548 3.989 50 0 IHAARN COc1ccccc1C(=O)N1CCc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000035829311 568927806 /nfs/dbraw/zinc/92/78/06/568927806.db2.gz NPCZIFLTPLZPBS-UHFFFAOYSA-N 0 0 443.425 3.587 50 0 IHAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000089512436 568928117 /nfs/dbraw/zinc/92/81/17/568928117.db2.gz XSPSVVYIEOOWHL-CQSZACIVSA-N 0 0 436.990 3.936 50 0 IHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2c(F)cccc2Cl)c1=O ZINC000064438456 568928301 /nfs/dbraw/zinc/92/83/01/568928301.db2.gz UYXWIIQUTOLXCQ-UHFFFAOYSA-N 0 0 445.922 3.699 50 0 IHAARN Cc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000089522486 568930226 /nfs/dbraw/zinc/93/02/26/568930226.db2.gz WFKFNHDWFZYLAB-UHFFFAOYSA-N 0 0 425.905 3.632 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Nc1cccc(F)c1)C2 ZINC000064566458 568932709 /nfs/dbraw/zinc/93/27/09/568932709.db2.gz GJMMSNGUYYHUMP-UHFFFAOYSA-N 0 0 432.459 3.790 50 0 IHAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580597 568934524 /nfs/dbraw/zinc/93/45/24/568934524.db2.gz XDIDDBNTZSXLBG-UHFFFAOYSA-N 0 0 445.585 3.625 50 0 IHAARN O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000064580605 568934582 /nfs/dbraw/zinc/93/45/82/568934582.db2.gz XIJUEBHBYVHTAK-UHFFFAOYSA-N 0 0 443.569 3.640 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4cc(F)ccc4F)nnc3c2=O)cc1C ZINC000064593597 568936074 /nfs/dbraw/zinc/93/60/74/568936074.db2.gz WBIPHGXTGWHQMX-UHFFFAOYSA-N 0 0 441.463 3.506 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)cc1 ZINC000006601147 568936455 /nfs/dbraw/zinc/93/64/55/568936455.db2.gz ZVZPIPSLNGZREF-UHFFFAOYSA-N 0 0 428.514 3.532 50 0 IHAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000026990953 568936761 /nfs/dbraw/zinc/93/67/61/568936761.db2.gz PGBVGNNWUFVVMF-UHFFFAOYSA-N 0 0 439.471 3.627 50 0 IHAARN CCOC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN(CCOC)CO4)c2=O)cc1 ZINC000054313683 568938760 /nfs/dbraw/zinc/93/87/60/568938760.db2.gz OESLJUVOKWQBIX-UHFFFAOYSA-N 0 0 439.464 3.869 50 0 biogenic IHAARN O=C(Cn1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1=O)Nc1cccc(F)c1 ZINC000064605099 568939080 /nfs/dbraw/zinc/93/90/80/568939080.db2.gz ISXVKLGOICZRTJ-UHFFFAOYSA-N 0 0 442.450 3.940 50 0 IHAARN CC1CCN(c2ccc(-c3noc(C(=O)NCCN4CCc5ccccc5C4)n3)cc2)CC1 ZINC000064606097 568939790 /nfs/dbraw/zinc/93/97/90/568939790.db2.gz ADWRDUFJNZUFRF-UHFFFAOYSA-N 0 0 445.567 3.761 50 0 IHAARN Cc1ccc(C)c(CNC(=O)CN2CCc3ccccc3[C@@H]2C(=O)N2CCC(C)CC2)c1 ZINC000064611432 568940245 /nfs/dbraw/zinc/94/02/45/568940245.db2.gz CHTFKFVNCDIBMF-AREMUKBSSA-N 0 0 433.596 3.778 50 0 IHAARN CCOC(=O)C1=C(CN2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080271 568946603 /nfs/dbraw/zinc/94/66/03/568946603.db2.gz BWYPKTLLUSNBCF-CVDCTZTESA-N 0 0 437.515 3.795 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2F)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036083894 568947627 /nfs/dbraw/zinc/94/76/27/568947627.db2.gz GLJKBJLLPDZFCY-OAQYLSRUSA-N 0 0 428.460 3.817 50 0 IHAARN Cc1ccc(Cn2nnc(C(=O)N3CCN(c4ccccc4F)CC3)c2-n2cccc2)cc1 ZINC000064744074 568948860 /nfs/dbraw/zinc/94/88/60/568948860.db2.gz VCXLVTIBXVCAQR-UHFFFAOYSA-N 0 0 444.514 3.527 50 0 IHAARN O=C(C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000064757419 568951558 /nfs/dbraw/zinc/95/15/58/568951558.db2.gz GMZBGKWMZXPXTN-SFHVURJKSA-N 0 0 442.510 3.948 50 0 IHAARN Cc1cc(C)c(C)c(OCc2nc(CN(CCN3CCOCC3)C(=O)C(C)C)cs2)c1 ZINC000036105836 568953469 /nfs/dbraw/zinc/95/34/69/568953469.db2.gz SSTQJLBGQZODNL-UHFFFAOYSA-N 0 0 445.629 3.964 50 0 IHAARN CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 ZINC000064775507 568954690 /nfs/dbraw/zinc/95/46/90/568954690.db2.gz ZAJQTKKNFHSFOX-MRXNPFEDSA-N 0 0 432.476 3.947 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119341 568956133 /nfs/dbraw/zinc/95/61/33/568956133.db2.gz XBZAAAXSGFSYSP-OAQYLSRUSA-N 0 0 444.597 3.774 50 0 IHAARN Cc1cc(C)c([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(C)c1 ZINC000064788126 568956483 /nfs/dbraw/zinc/95/64/83/568956483.db2.gz ZPKPNWFZJPRDBT-XMMPIXPASA-N 0 0 429.520 3.751 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)C ZINC000036122320 568958177 /nfs/dbraw/zinc/95/81/77/568958177.db2.gz QFYNVHICCKYPTM-FQEVSTJZSA-N 0 0 445.585 3.701 50 0 IHAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(F)c(F)c2)c1C ZINC000064792334 568959222 /nfs/dbraw/zinc/95/92/22/568959222.db2.gz YOJUCLBABZEOKG-UHFFFAOYSA-N 0 0 437.450 3.736 50 0 IHAARN CC[C@@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(Cl)cc1 ZINC000064817198 568964306 /nfs/dbraw/zinc/96/43/06/568964306.db2.gz OZKNZSVGCSEKFK-CYBMUJFWSA-N 0 0 447.992 3.630 50 0 IHAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2Cc1ccccc1Cl ZINC000064817646 568964919 /nfs/dbraw/zinc/96/49/19/568964919.db2.gz PHFKQCRBKZLELF-UHFFFAOYSA-N 0 0 426.879 3.577 50 0 IHAARN CC(C)OCCCNC(=O)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819381 568966196 /nfs/dbraw/zinc/96/61/96/568966196.db2.gz AZVFRGYAMLIXSF-UHFFFAOYSA-N 0 0 434.540 3.531 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccccc1C ZINC000036162995 568967748 /nfs/dbraw/zinc/96/77/48/568967748.db2.gz KLPXLARCIWZHFA-HSZRJFAPSA-N 0 0 425.554 3.870 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1cccc(F)c1 ZINC000036166230 568968469 /nfs/dbraw/zinc/96/84/69/568968469.db2.gz JVIJBEWPUCTPMQ-HSZRJFAPSA-N 0 0 426.513 3.909 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)N(C)CCc1noc(-c2ccc(C)cc2)n1)c1ccccc1 ZINC000064839887 568969756 /nfs/dbraw/zinc/96/97/56/568969756.db2.gz FJJSWUBJCHRVRU-HXUWFJFHSA-N 0 0 436.512 3.923 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000064838524 568970124 /nfs/dbraw/zinc/97/01/24/568970124.db2.gz PXWDMLQXXJRFGI-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842365 568970825 /nfs/dbraw/zinc/97/08/25/568970825.db2.gz XOTMTQLGMYGRHP-SFHVURJKSA-N 0 0 448.479 3.967 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccc(C)o3)CC2)cc(OC)c1OC ZINC000064846803 568972228 /nfs/dbraw/zinc/97/22/28/568972228.db2.gz XVDLHBCGLHEERR-UHFFFAOYSA-N 0 0 445.516 3.564 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc(OC)c1OC ZINC000064846700 568972235 /nfs/dbraw/zinc/97/22/35/568972235.db2.gz QNFQENOZEXKAMM-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN CCOc1ccc(CNC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 ZINC000064866380 568974520 /nfs/dbraw/zinc/97/45/20/568974520.db2.gz WCQUCTPYZVZDJJ-UHFFFAOYSA-N 0 0 442.537 3.837 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)N1CCc2ccccc21 ZINC000064866802 568974811 /nfs/dbraw/zinc/97/48/11/568974811.db2.gz CZZKUJHJLBCQGM-UHFFFAOYSA-N 0 0 440.521 3.720 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC3)cc1 ZINC000064868205 568975566 /nfs/dbraw/zinc/97/55/66/568975566.db2.gz LXHJAIYQMOGEKQ-UHFFFAOYSA-N 0 0 428.535 3.768 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2N1 ZINC000064869304 568975620 /nfs/dbraw/zinc/97/56/20/568975620.db2.gz AGXSOLDEYRLEEX-UHFFFAOYSA-N 0 0 443.887 3.583 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2N1 ZINC000064869441 568976050 /nfs/dbraw/zinc/97/60/50/568976050.db2.gz VOOQLGMSPRPYGA-UHFFFAOYSA-N 0 0 433.386 3.550 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036212836 568976620 /nfs/dbraw/zinc/97/66/20/568976620.db2.gz IWADBKHSUGRXMQ-JOCHJYFZSA-N 0 0 429.605 3.637 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036212837 568976678 /nfs/dbraw/zinc/97/66/78/568976678.db2.gz IWADBKHSUGRXMQ-QFIPXVFZSA-N 0 0 429.605 3.637 50 0 IHAARN CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCC2CC2)c1 ZINC000036219187 568977771 /nfs/dbraw/zinc/97/77/71/568977771.db2.gz HDEUROJLLPMJNP-GOTSBHOMSA-N 0 0 435.524 3.932 50 0 IHAARN COc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888156 568979391 /nfs/dbraw/zinc/97/93/91/568979391.db2.gz MCBNSEYCONKUTB-UHFFFAOYSA-N 0 0 435.549 3.809 50 0 IHAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCC1=CCCCC1 ZINC000064889141 568980276 /nfs/dbraw/zinc/98/02/76/568980276.db2.gz LQUAPSNFYSDGIH-UHFFFAOYSA-N 0 0 444.601 3.608 50 0 IHAARN C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036250201 568983830 /nfs/dbraw/zinc/98/38/30/568983830.db2.gz KYEQEWLEUXAXLD-BWKNWUBXSA-N 0 0 425.617 3.723 50 0 IHAARN C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036250200 568983881 /nfs/dbraw/zinc/98/38/81/568983881.db2.gz KYEQEWLEUXAXLD-SQJMNOBHSA-N 0 0 425.617 3.723 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000036250414 568983902 /nfs/dbraw/zinc/98/39/02/568983902.db2.gz ZRHNRPPDOIXQBH-RUZDIDTESA-N 0 0 425.617 3.581 50 0 IHAARN CC(C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036251883 568984118 /nfs/dbraw/zinc/98/41/18/568984118.db2.gz PCSWMIYODQWCPW-IBGZPJMESA-N 0 0 426.388 3.835 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NC[C@@H](C)c1ccccc1 ZINC000064924544 568986158 /nfs/dbraw/zinc/98/61/58/568986158.db2.gz BIUSUASQBQLGSV-GOSISDBHSA-N 0 0 432.572 3.732 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCCC4)ncn3)c2C)cc1 ZINC000064924658 568986256 /nfs/dbraw/zinc/98/62/56/568986256.db2.gz JCMQKQNMROVRAJ-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064929191 568987936 /nfs/dbraw/zinc/98/79/36/568987936.db2.gz XHOWKUULHUJTGO-UHFFFAOYSA-N 0 0 440.544 3.746 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064929897 568988316 /nfs/dbraw/zinc/98/83/16/568988316.db2.gz GVZIUNSYIXHIIS-SFHVURJKSA-N 0 0 440.500 3.844 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)s2)cc1 ZINC000064930144 568988375 /nfs/dbraw/zinc/98/83/75/568988375.db2.gz HEBZMUBKPXZHSJ-SFHVURJKSA-N 0 0 440.500 3.980 50 0 IHAARN Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064930270 568988651 /nfs/dbraw/zinc/98/86/51/568988651.db2.gz ZWGBAMNHPFCGOY-MRXNPFEDSA-N 0 0 436.493 3.805 50 0 IHAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)c1ccccc1 ZINC000169679032 568990259 /nfs/dbraw/zinc/99/02/59/568990259.db2.gz OOSFZCZXHNKDKU-VQIMIIECSA-N 0 0 441.597 3.682 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)NCc1cccnc1)C2 ZINC000169679987 568990436 /nfs/dbraw/zinc/99/04/36/568990436.db2.gz CRCAHFXGYDSWPU-AZGAKELHSA-N 0 0 442.563 3.583 50 0 IHAARN O=C(Nc1ccccc1F)c1nnc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064941752 568991255 /nfs/dbraw/zinc/99/12/55/568991255.db2.gz JXNFKDCFLVCMMU-QGZVFWFLSA-N 0 0 446.529 3.596 50 0 IHAARN Cc1cc(F)ccc1Oc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)ncn1 ZINC000169681017 568991486 /nfs/dbraw/zinc/99/14/86/568991486.db2.gz RFBUGCVEEAPVFP-KRWDZBQOSA-N 0 0 442.516 3.616 50 0 IHAARN COc1ccc(CCNc2ccc(S(=O)(=O)c3ccc(Cl)cc3)nn2)cc1OC ZINC000064942797 568992168 /nfs/dbraw/zinc/99/21/68/568992168.db2.gz RUOSXTUQLRCGKV-UHFFFAOYSA-N 0 0 433.917 3.635 50 0 IHAARN COc1ccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)cc1OC ZINC000064942939 568992225 /nfs/dbraw/zinc/99/22/25/568992225.db2.gz UELLQXCIUIQAMO-UHFFFAOYSA-N 0 0 433.917 3.733 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)Nc1ccc(C(F)(F)F)cc1 ZINC000064945739 568992951 /nfs/dbraw/zinc/99/29/51/568992951.db2.gz ZZOVQXRSQVJCFB-UHFFFAOYSA-N 0 0 447.442 3.642 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4ccc(C)cc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946559 568993512 /nfs/dbraw/zinc/99/35/12/568993512.db2.gz NBZRCEVVZDDXQM-UHFFFAOYSA-N 0 0 430.533 3.840 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1 ZINC000064949218 568994804 /nfs/dbraw/zinc/99/48/04/568994804.db2.gz HNBXBCVNJYJXKN-UHFFFAOYSA-N 0 0 435.509 3.918 50 0 IHAARN O=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000064951050 568996152 /nfs/dbraw/zinc/99/61/52/568996152.db2.gz BTKSABLMKWDGCG-UHFFFAOYSA-N 0 0 441.260 3.728 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=S)Nc3ccc(F)cc3)CC2)CC1 ZINC000036311123 568996835 /nfs/dbraw/zinc/99/68/35/568996835.db2.gz HEHZDRZXNJPOCT-QFIPXVFZSA-N 0 0 446.636 3.957 50 0 IHAARN COc1ccc(NC(=O)N2CCN([C@@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036310827 568996897 /nfs/dbraw/zinc/99/68/97/568996897.db2.gz VPQNIKJBZQYQQC-HSZRJFAPSA-N 0 0 442.604 3.662 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955178 568998108 /nfs/dbraw/zinc/99/81/08/568998108.db2.gz OBYBSPGSWRJVNI-UHFFFAOYSA-N 0 0 436.310 3.947 50 0 IHAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)CC(C)(C)C ZINC000036314159 568998912 /nfs/dbraw/zinc/99/89/12/568998912.db2.gz WOPZWQWWERMNFK-UHFFFAOYSA-N 0 0 429.561 3.898 50 0 IHAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000064960749 569000409 /nfs/dbraw/zinc/00/04/09/569000409.db2.gz MVKZJERIQHIOMJ-UHFFFAOYSA-N 0 0 427.526 3.930 50 0 IHAARN Cc1ccc(CNC(=O)CN2c3ccccc3N(C(=O)Nc3ccccc3)CC2=O)cc1 ZINC000064971373 569076116 /nfs/dbraw/zinc/07/61/16/569076116.db2.gz XKYMEOAOYNFVTF-UHFFFAOYSA-N 0 0 428.492 3.697 50 0 IHAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)cc1 ZINC000064971444 569076201 /nfs/dbraw/zinc/07/62/01/569076201.db2.gz WHLJPVSAKNOHRO-UHFFFAOYSA-N 0 0 428.492 3.697 50 0 IHAARN Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)cc1 ZINC000064971469 569076291 /nfs/dbraw/zinc/07/62/91/569076291.db2.gz FKUHKXIBFUCQLX-UHFFFAOYSA-N 0 0 442.519 3.739 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000006822012 569078116 /nfs/dbraw/zinc/07/81/16/569078116.db2.gz SMGDJFGWNKJKMK-QFIPXVFZSA-N 0 0 427.570 3.777 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2cccc(-c3nc(-c4ccc5c(c4)nnn5C)no3)c2)cc1 ZINC000064979859 569078292 /nfs/dbraw/zinc/07/82/92/569078292.db2.gz UYHMMDCNYRICJJ-UHFFFAOYSA-N 0 0 445.504 3.968 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985283 569081875 /nfs/dbraw/zinc/08/18/75/569081875.db2.gz CBYDJMPCLXQTEB-JOCHJYFZSA-N 0 0 438.505 3.680 50 0 IHAARN CC(C)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985444 569082009 /nfs/dbraw/zinc/08/20/09/569082009.db2.gz QOMLYZKAVCEBBW-OAQYLSRUSA-N 0 0 430.570 3.713 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)Oc3ccc(Cl)cc32)cc1 ZINC000064986164 569082123 /nfs/dbraw/zinc/08/21/23/569082123.db2.gz CZFHPVOLUMNUIV-HXUWFJFHSA-N 0 0 443.912 3.638 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000064987692 569082698 /nfs/dbraw/zinc/08/26/98/569082698.db2.gz KYXSXTLPFDYBSF-UHFFFAOYSA-N 0 0 444.466 3.727 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1Cl ZINC000036354612 569084214 /nfs/dbraw/zinc/08/42/14/569084214.db2.gz BJZQZDGOBZTASF-UHFFFAOYSA-N 0 0 449.894 3.726 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064991563 569084621 /nfs/dbraw/zinc/08/46/21/569084621.db2.gz FZCJYKPPZSMDQM-UHFFFAOYSA-N 0 0 448.545 3.607 50 0 IHAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccccc4C(N)=O)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000455 569085944 /nfs/dbraw/zinc/08/59/44/569085944.db2.gz CNAQTQNLIOZDJC-UHFFFAOYSA-N 0 0 443.503 3.652 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000036360685 569086642 /nfs/dbraw/zinc/08/66/42/569086642.db2.gz KAPSCCONFHDGEW-SFTDATJTSA-N 0 0 449.532 3.798 50 0 IHAARN COc1ccc([C@@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000036366580 569087285 /nfs/dbraw/zinc/08/72/85/569087285.db2.gz XENPMCDZVARYLL-FCHUYYIVSA-N 0 0 426.476 3.543 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000065006864 569087536 /nfs/dbraw/zinc/08/75/36/569087536.db2.gz HLOSCRDZISYFPJ-LJQANCHMSA-N 0 0 445.560 3.795 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(-c3ccc(OC)cc3)ncn2)CC1 ZINC000065007552 569087595 /nfs/dbraw/zinc/08/75/95/569087595.db2.gz SURWICGPPXSSEC-UHFFFAOYSA-N 0 0 433.512 3.905 50 0 IHAARN COc1ccc(-c2ccc(NCc3ccc(C)cc3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009589 569088005 /nfs/dbraw/zinc/08/80/05/569088005.db2.gz GJUACOBIGIBGCF-UHFFFAOYSA-N 0 0 438.553 3.857 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](N3CCc4c5cc(Cl)ccc5[nH]c4C3)C2=O)c(OC)c1 ZINC000036369840 569088380 /nfs/dbraw/zinc/08/83/80/569088380.db2.gz HDEMSMVOVFCRIO-HXUWFJFHSA-N 0 0 439.899 3.529 50 0 biogenic IHAARN COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036370117 569088514 /nfs/dbraw/zinc/08/85/14/569088514.db2.gz BBYAAXWLXWPSQJ-UHFFFAOYSA-N 0 0 447.495 3.669 50 0 biogenic IHAARN COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000036370022 569088574 /nfs/dbraw/zinc/08/85/74/569088574.db2.gz LAKLSCIRKHXLRS-UHFFFAOYSA-N 0 0 449.511 3.819 50 0 biogenic IHAARN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc21 ZINC000065021193 569088796 /nfs/dbraw/zinc/08/87/96/569088796.db2.gz XUNLNNGJYCKLBW-UHFFFAOYSA-N 0 0 432.973 3.895 50 0 IHAARN CCc1cccc(C)c1NC(=O)[C@H](CC)n1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000065026787 569089960 /nfs/dbraw/zinc/08/99/60/569089960.db2.gz HVQDZPMJQMVONZ-IBGZPJMESA-N 0 0 434.544 3.637 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2cnn3c2nccc3-c2ccc3c(c2)OCO3)cc1OC ZINC000065026756 569090010 /nfs/dbraw/zinc/09/00/10/569090010.db2.gz GFBJTFBEZFNHMP-AWEZNQCLSA-N 0 0 446.463 3.633 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000065025880 569090870 /nfs/dbraw/zinc/09/08/70/569090870.db2.gz LAYNBBUQHAYTPU-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1ccccc1Cl)C3 ZINC000065034822 569091976 /nfs/dbraw/zinc/09/19/76/569091976.db2.gz SHDKKENPNBHWTD-UHFFFAOYSA-N 0 0 430.335 3.818 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)c(C)c1 ZINC000065034569 569092106 /nfs/dbraw/zinc/09/21/06/569092106.db2.gz ATTCUODDNXSKRT-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)cc1F ZINC000065034699 569092273 /nfs/dbraw/zinc/09/22/73/569092273.db2.gz RVLGXSJDNUGCBK-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN O=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000169753210 569093080 /nfs/dbraw/zinc/09/30/80/569093080.db2.gz BDVCGTKRNXXARA-UHFFFAOYSA-N 0 0 429.293 3.941 50 0 IHAARN COc1ccc(-c2cc(N3CCCN(C(=O)C4(c5ccc(OC)cc5)CC4)CC3)n[nH]2)cc1 ZINC000169753176 569093145 /nfs/dbraw/zinc/09/31/45/569093145.db2.gz YBFBPSVPQQDQIL-UHFFFAOYSA-N 0 0 446.551 3.864 50 0 IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000006869877 569093294 /nfs/dbraw/zinc/09/32/94/569093294.db2.gz HWEUDYFDHBKVGN-FQEVSTJZSA-N 0 0 425.529 3.916 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)COc4ccc(Cl)cc4)C3)n[nH]2)cc1 ZINC000169753674 569093584 /nfs/dbraw/zinc/09/35/84/569093584.db2.gz BFPQBTXQSRLIOD-SFHVURJKSA-N 0 0 440.931 3.903 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(Br)o4)C3)n[nH]2)cc1 ZINC000169753910 569093761 /nfs/dbraw/zinc/09/37/61/569093761.db2.gz FYRZUVHCTSUDSP-AWEZNQCLSA-N 0 0 445.317 3.840 50 0 IHAARN COc1cc(NC(=O)CCc2nc3onc(C)c3c(N3CCCCCC3)n2)cc(OC)c1 ZINC000065056528 569095262 /nfs/dbraw/zinc/09/52/62/569095262.db2.gz IEEKKSWPHPQRFZ-UHFFFAOYSA-N 0 0 439.516 3.895 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)CC1 ZINC000006876780 569095570 /nfs/dbraw/zinc/09/55/70/569095570.db2.gz BEJBGDJPPZSVNI-UHFFFAOYSA-N 0 0 427.574 3.525 50 0 IHAARN O=C(NC1CC1)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059885 569095686 /nfs/dbraw/zinc/09/56/86/569095686.db2.gz QHUSSFDSKWEIEB-UHFFFAOYSA-N 0 0 427.457 3.706 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 ZINC000065059374 569096059 /nfs/dbraw/zinc/09/60/59/569096059.db2.gz CVOIZOPHYHFBKD-XMMPIXPASA-N 0 0 444.597 3.728 50 0 IHAARN CCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063348 569097950 /nfs/dbraw/zinc/09/79/50/569097950.db2.gz GQEMWBVEKJHZFB-UHFFFAOYSA-N 0 0 429.473 3.954 50 0 IHAARN CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000036393870 569098636 /nfs/dbraw/zinc/09/86/36/569098636.db2.gz IWDPKASVHHJTBE-HNNXBMFYSA-N 0 0 432.592 3.727 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC3CC3)cc2)cc1 ZINC000065074479 569098877 /nfs/dbraw/zinc/09/88/77/569098877.db2.gz UMTHGTFMOSVMSH-UHFFFAOYSA-N 0 0 439.493 3.576 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(OC)c2)c1 ZINC000065075266 569099563 /nfs/dbraw/zinc/09/95/63/569099563.db2.gz HQUACIWPUZIJAH-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN CCc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077308 569100189 /nfs/dbraw/zinc/10/01/89/569100189.db2.gz HPMBUPHHQDDCGA-AWEZNQCLSA-N 0 0 432.567 3.874 50 0 IHAARN Cc1ccc(C)c(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077372 569100197 /nfs/dbraw/zinc/10/01/97/569100197.db2.gz NDURUGLHHGGAAJ-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN C[C@H](CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077516 569100325 /nfs/dbraw/zinc/10/03/25/569100325.db2.gz RFUGJIBVAUMTIF-GFCCVEGCSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1C ZINC000065078280 569100533 /nfs/dbraw/zinc/10/05/33/569100533.db2.gz ZVSKWEIKGTVBGX-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1C ZINC000065078278 569100559 /nfs/dbraw/zinc/10/05/59/569100559.db2.gz ZVSKWEIKGTVBGX-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078337 569100565 /nfs/dbraw/zinc/10/05/65/569100565.db2.gz XVDIZSPRYJSCHZ-AWEZNQCLSA-N 0 0 432.567 3.732 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000065077802 569100589 /nfs/dbraw/zinc/10/05/89/569100589.db2.gz RGVTZIGOQVUWMB-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN C[C@@H]1CSc2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)cc2NC1=O ZINC000065078420 569100626 /nfs/dbraw/zinc/10/06/26/569100626.db2.gz WEHSZCSAXVOVFC-GFCCVEGCSA-N 0 0 438.958 3.823 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000065078057 569100700 /nfs/dbraw/zinc/10/07/00/569100700.db2.gz SSOBIISNKJGSJF-AWEZNQCLSA-N 0 0 448.566 3.629 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000065077842 569100749 /nfs/dbraw/zinc/10/07/49/569100749.db2.gz VGJQSQCMPXDTKC-CQSZACIVSA-N 0 0 448.566 3.711 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000036397610 569101061 /nfs/dbraw/zinc/10/10/61/569101061.db2.gz GABSAXGMYKTVCN-KRWDZBQOSA-N 0 0 426.822 3.950 50 0 IHAARN O=C(Cc1cccc(Cl)c1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778077 569102601 /nfs/dbraw/zinc/10/26/01/569102601.db2.gz CHVIKJLEAGSTPQ-SFHVURJKSA-N 0 0 434.887 3.665 50 0 IHAARN CCCN1C(=O)COc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc21 ZINC000065098437 569104674 /nfs/dbraw/zinc/10/46/74/569104674.db2.gz DCTWEZQBALYVQP-UHFFFAOYSA-N 0 0 425.441 3.565 50 0 IHAARN CCCN1C(=O)COc2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21 ZINC000065098398 569104727 /nfs/dbraw/zinc/10/47/27/569104727.db2.gz CIEAWNJQSSZKME-KRWDZBQOSA-N 0 0 432.480 3.701 50 0 IHAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065099812 569104765 /nfs/dbraw/zinc/10/47/65/569104765.db2.gz PBQOBUBHTOSSQV-UHFFFAOYSA-N 0 0 428.424 3.541 50 0 IHAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)c1 ZINC000065099176 569105039 /nfs/dbraw/zinc/10/50/39/569105039.db2.gz DGVHBJLZCOJQHF-UHFFFAOYSA-N 0 0 448.552 3.930 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000065112227 569108031 /nfs/dbraw/zinc/10/80/31/569108031.db2.gz RDSOOIUZMNSUPQ-UHFFFAOYSA-N 0 0 440.525 3.572 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3)c2c1=O ZINC000065113514 569108382 /nfs/dbraw/zinc/10/83/82/569108382.db2.gz JUXMVMIUOCVWSR-UHFFFAOYSA-N 0 0 430.508 3.849 50 0 IHAARN COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)c(Br)c4)no3)n2)c1 ZINC000065129576 569108784 /nfs/dbraw/zinc/10/87/84/569108784.db2.gz SAGSYVXADFIGIY-UHFFFAOYSA-N 0 0 443.232 3.860 50 0 IHAARN COc1cc(-c2noc(-c3nn(-c4cc(C)cc(C)c4)ccc3=O)n2)cc(OC)c1OC ZINC000065129519 569108803 /nfs/dbraw/zinc/10/88/03/569108803.db2.gz BSVJIILPZYZAMR-UHFFFAOYSA-N 0 0 434.452 3.592 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)C1 ZINC000065132043 569109755 /nfs/dbraw/zinc/10/97/55/569109755.db2.gz BMBVUMUPUVNRAG-GOSISDBHSA-N 0 0 441.601 3.567 50 0 IHAARN CCn1nccc1-c1cccc(-c2noc(CCS(=O)(=O)c3ccc(OC)cc3)n2)c1 ZINC000065137299 569110429 /nfs/dbraw/zinc/11/04/29/569110429.db2.gz BWWFWQIKSLZKDR-UHFFFAOYSA-N 0 0 438.509 3.645 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H](c3noc(-c4cccc(F)c4)n3)C2)cc1OC ZINC000065149448 569110958 /nfs/dbraw/zinc/11/09/58/569110958.db2.gz XGIVXGKMUOACRG-QGZVFWFLSA-N 0 0 425.460 3.842 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H](c3noc(-c4ccccc4OC)n3)C2)cc1OC ZINC000065149486 569110984 /nfs/dbraw/zinc/11/09/84/569110984.db2.gz OIZQBCNABUUPMD-KRWDZBQOSA-N 0 0 437.496 3.711 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C3)cc1 ZINC000065169061 569112653 /nfs/dbraw/zinc/11/26/53/569112653.db2.gz RSASLPIWFJLRBH-UHFFFAOYSA-N 0 0 449.454 3.918 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2Cc2ccccc2)cc1OC ZINC000065170165 569112691 /nfs/dbraw/zinc/11/26/91/569112691.db2.gz ZYRFLJAAUKBEDW-RUZDIDTESA-N 0 0 430.504 3.646 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c1 ZINC000065169134 569112709 /nfs/dbraw/zinc/11/27/09/569112709.db2.gz FELPFFIPAOJAFH-UHFFFAOYSA-N 0 0 445.928 3.561 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c(CC)nc2c(-c3ccncc3)nsc2c1=O ZINC000065171088 569112843 /nfs/dbraw/zinc/11/28/43/569112843.db2.gz AJISFBQCKHCRNP-UHFFFAOYSA-N 0 0 433.537 3.987 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 ZINC000065180015 569113665 /nfs/dbraw/zinc/11/36/65/569113665.db2.gz UCNDGBQQTBQTTI-UHFFFAOYSA-N 0 0 436.552 3.707 50 0 IHAARN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000065180115 569113762 /nfs/dbraw/zinc/11/37/62/569113762.db2.gz SGUZKYNYTOXMPE-UHFFFAOYSA-N 0 0 447.329 3.866 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)cc1 ZINC000065178629 569114558 /nfs/dbraw/zinc/11/45/58/569114558.db2.gz QRHBOEKCFZZETB-FQEVSTJZSA-N 0 0 435.568 3.920 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200530 569115196 /nfs/dbraw/zinc/11/51/96/569115196.db2.gz NSECQDIYFCNOJW-UHFFFAOYSA-N 0 0 434.993 3.510 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c(F)c1 ZINC000065195617 569115533 /nfs/dbraw/zinc/11/55/33/569115533.db2.gz OAFCFGUOGRGSGE-SFHVURJKSA-N 0 0 435.499 3.815 50 0 IHAARN O=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)[C@@H]1COc2ccccc2O1 ZINC000065196009 569115612 /nfs/dbraw/zinc/11/56/12/569115612.db2.gz STPVDEFELPOKRI-HNNXBMFYSA-N 0 0 425.491 3.983 50 0 IHAARN CC(C)Oc1ccc(CNS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196300 569115719 /nfs/dbraw/zinc/11/57/19/569115719.db2.gz RZESSQCOGAPXLY-UHFFFAOYSA-N 0 0 448.610 3.699 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1ccc(F)c(F)c1 ZINC000065209361 569116138 /nfs/dbraw/zinc/11/61/38/569116138.db2.gz AAAGNAJTEWRAPQ-SFHVURJKSA-N 0 0 430.480 3.615 50 0 IHAARN COc1cccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)c1 ZINC000065210608 569116347 /nfs/dbraw/zinc/11/63/47/569116347.db2.gz FLTPGGIVYNBRKH-UHFFFAOYSA-N 0 0 426.469 3.838 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)cc1 ZINC000065227928 569117667 /nfs/dbraw/zinc/11/76/67/569117667.db2.gz MURYKOUTZNICKA-IBGZPJMESA-N 0 0 447.539 3.941 50 0 IHAARN CCOc1ccc(NC(=O)N2CCC(c3cc4n(n3)CCCN(CC)C4=O)CC2)cc1 ZINC000065225863 569117915 /nfs/dbraw/zinc/11/79/15/569117915.db2.gz MBKCCYMGLKIIHG-UHFFFAOYSA-N 0 0 425.533 3.559 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c1OC ZINC000065229508 569118139 /nfs/dbraw/zinc/11/81/39/569118139.db2.gz OUWSXXZCBOPKCT-UHFFFAOYSA-N 0 0 436.512 3.595 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000036569600 569118372 /nfs/dbraw/zinc/11/83/72/569118372.db2.gz XAOXHPXOXWQZFF-HXUWFJFHSA-N 0 0 433.537 3.553 50 0 IHAARN O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)N1CCc2ccccc2C1 ZINC000065232508 569119125 /nfs/dbraw/zinc/11/91/25/569119125.db2.gz VZLKLBMMNJEUFG-UHFFFAOYSA-N 0 0 434.546 3.680 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC[C@H]5C)n4)ccn3n2)cc1C ZINC000065235822 569119398 /nfs/dbraw/zinc/11/93/98/569119398.db2.gz BOPNLUWAWQTFCN-GOSISDBHSA-N 0 0 432.528 3.586 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 ZINC000036580028 569119747 /nfs/dbraw/zinc/11/97/47/569119747.db2.gz FTXPQSAXUOQNQT-HXUWFJFHSA-N 0 0 433.537 3.553 50 0 IHAARN C=C1C(N2CCC(NC(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239104 569119943 /nfs/dbraw/zinc/11/99/43/569119943.db2.gz KFIDJVSSINESBR-UHFFFAOYSA-N 0 0 435.977 3.584 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)CCCC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239179 569120095 /nfs/dbraw/zinc/12/00/95/569120095.db2.gz LESYPFAFZRPMCW-HNNXBMFYSA-N 0 0 435.565 3.706 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239131 569120118 /nfs/dbraw/zinc/12/01/18/569120118.db2.gz PSXFQDOBUUSRSC-KRWDZBQOSA-N 0 0 437.565 3.544 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239302 569120368 /nfs/dbraw/zinc/12/03/68/569120368.db2.gz ZOVHROTWHUDVLS-UHFFFAOYSA-N 0 0 443.956 3.661 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239538 569120568 /nfs/dbraw/zinc/12/05/68/569120568.db2.gz JULDJSLMCIUUNN-UHFFFAOYSA-N 0 0 443.613 3.837 50 0 IHAARN Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251330 569122263 /nfs/dbraw/zinc/12/22/63/569122263.db2.gz ZADMTULPXRGZSZ-UHFFFAOYSA-N 0 0 434.475 3.992 50 0 IHAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 ZINC000036616112 569122763 /nfs/dbraw/zinc/12/27/63/569122763.db2.gz ZCPURMKSGMXWDT-ZDUSSCGKSA-N 0 0 432.528 3.794 50 0 IHAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c(C)n1 ZINC000036616385 569122863 /nfs/dbraw/zinc/12/28/63/569122863.db2.gz JFBJAXJOJSHFHS-AWEZNQCLSA-N 0 0 432.528 3.968 50 0 IHAARN CCOc1ccccc1N1CCN(c2nnc(-c3nnc(CC)o3)c3ccccc32)CC1 ZINC000065258169 569124352 /nfs/dbraw/zinc/12/43/52/569124352.db2.gz PRQBSYOKGYYQFN-UHFFFAOYSA-N 0 0 430.512 3.968 50 0 IHAARN CCn1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4cnn(CC)c4C)c32)n1 ZINC000036619085 569124540 /nfs/dbraw/zinc/12/45/40/569124540.db2.gz ZEBGUSYGEUUDJD-CYBMUJFWSA-N 0 0 433.516 3.999 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000013129104 569125238 /nfs/dbraw/zinc/12/52/38/569125238.db2.gz DEKZNMDUTQUONC-UHFFFAOYSA-N 0 0 442.556 3.835 50 0 IHAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccc(OC)cc1 ZINC000013131468 569125378 /nfs/dbraw/zinc/12/53/78/569125378.db2.gz KPATWBNYBDATGO-IBGZPJMESA-N 0 0 437.525 3.826 50 0 IHAARN COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524731135 569126332 /nfs/dbraw/zinc/12/63/32/569126332.db2.gz LHGHICDKENAIJY-JOCHJYFZSA-N 0 0 449.503 3.607 50 0 biogenic IHAARN CCn1ccc(NC(=O)CCn2c3nn(C4CCCC4)cc3c(C(F)(F)F)cc2=O)n1 ZINC000036621673 569126513 /nfs/dbraw/zinc/12/65/13/569126513.db2.gz CDQGXQRWRAWVTN-UHFFFAOYSA-N 0 0 436.438 3.577 50 0 IHAARN CCn1cc(Cl)c(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC2CCCC2)n1 ZINC000065265917 569127314 /nfs/dbraw/zinc/12/73/14/569127314.db2.gz ZYAHUUYPCUSXDG-HSZRJFAPSA-N 0 0 440.979 3.507 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2coc(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524735203 569128152 /nfs/dbraw/zinc/12/81/52/569128152.db2.gz GCFQFYZLUNEXMN-FQEVSTJZSA-N 0 0 432.476 3.765 50 0 IHAARN O=C(NC1CCCCCC1)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273715 569130026 /nfs/dbraw/zinc/13/00/26/569130026.db2.gz ZCITXXMHRMIBMH-SFHVURJKSA-N 0 0 444.645 3.536 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000036662649 569130346 /nfs/dbraw/zinc/13/03/46/569130346.db2.gz SKPLWMYQVGTPDH-UHFFFAOYSA-N 0 0 443.477 3.538 50 0 IHAARN Cc1oc(CNC(=O)c2cccc(OC(F)(F)F)c2)nc1C(=O)N1CCC(C)CC1 ZINC000065293738 569130933 /nfs/dbraw/zinc/13/09/33/569130933.db2.gz PYLOFQFTYFZKFU-UHFFFAOYSA-N 0 0 425.407 3.684 50 0 IHAARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1 ZINC000065298555 569131976 /nfs/dbraw/zinc/13/19/76/569131976.db2.gz GFXIDRDVABZARN-FQEVSTJZSA-N 0 0 427.932 3.917 50 0 biogenic IHAARN COc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)CC(C)C)CC4)nc32)cc1 ZINC000065299511 569132128 /nfs/dbraw/zinc/13/21/28/569132128.db2.gz VIJFOTWQEIFECY-UHFFFAOYSA-N 0 0 427.574 3.930 50 0 IHAARN O=c1c2nc(N3CCOCC3)sc2c(-c2ccco2)nn1Cc1ccc(Cl)cc1 ZINC000036685870 569132811 /nfs/dbraw/zinc/13/28/11/569132811.db2.gz FVQFDEHHZULLBH-UHFFFAOYSA-N 0 0 428.901 3.651 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(N1CCSCC1)n(-c1ccc(F)c(Cl)c1)c2=O ZINC000065306625 569133420 /nfs/dbraw/zinc/13/34/20/569133420.db2.gz RTWSAYSONXWEGK-UHFFFAOYSA-N 0 0 433.892 3.518 50 0 IHAARN COCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)NCc3ccccn3)c(C)n21 ZINC000065312160 569133677 /nfs/dbraw/zinc/13/36/77/569133677.db2.gz MIKCADZSGGOVSY-UHFFFAOYSA-N 0 0 439.516 3.894 50 0 IHAARN COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)s2)cc1 ZINC000036705249 569134414 /nfs/dbraw/zinc/13/44/14/569134414.db2.gz RBRLHGKHQCFUGI-MRXNPFEDSA-N 0 0 445.566 3.791 50 0 IHAARN O=C(c1ccc(OCc2ccc3ccccc3n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000036708004 569134821 /nfs/dbraw/zinc/13/48/21/569134821.db2.gz YAMQUOJPVLQXGF-UHFFFAOYSA-N 0 0 425.492 3.566 50 0 IHAARN CCCOc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700336 569135359 /nfs/dbraw/zinc/13/53/59/569135359.db2.gz BCLRZCYQYOQXDQ-QHCPKHFHSA-N 0 0 432.586 3.526 50 0 IHAARN O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036708488 569135932 /nfs/dbraw/zinc/13/59/32/569135932.db2.gz BSLIQCFTSVMOBX-UHFFFAOYSA-N 0 0 432.855 3.716 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)NCCC1=CCCCC1 ZINC000065319937 569136028 /nfs/dbraw/zinc/13/60/28/569136028.db2.gz UBXMGEKZMUXTBS-UHFFFAOYSA-N 0 0 447.630 3.572 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ncccc2Br)C1 ZINC000238921364 569137951 /nfs/dbraw/zinc/13/79/51/569137951.db2.gz TYGUNJGMFSAECZ-AWEZNQCLSA-N 0 0 445.235 3.922 50 0 IHAARN COc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 ZINC000065534293 569139391 /nfs/dbraw/zinc/13/93/91/569139391.db2.gz OLEHRWHUXQYENK-UHFFFAOYSA-N 0 0 440.459 3.611 50 0 IHAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000037115855 569140207 /nfs/dbraw/zinc/14/02/07/569140207.db2.gz KGSFICVATUPUPB-QGZVFWFLSA-N 0 0 437.569 3.504 50 0 IHAARN COc1ccc([C@@H]2CCN(C(=O)C3(C(=O)N4CC[C@@H](c5ccc(OC)cc5)C4)CC3)C2)cc1 ZINC000170593622 569141293 /nfs/dbraw/zinc/14/12/93/569141293.db2.gz JOSGTUBZYNSALV-FGZHOGPDSA-N 0 0 448.563 3.816 50 0 IHAARN COc1cc(Br)c(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000170595117 569141426 /nfs/dbraw/zinc/14/14/26/569141426.db2.gz DMIQYCJWVHARJE-INIZCTEOSA-N 0 0 448.317 3.561 50 0 IHAARN CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000170597372 569142036 /nfs/dbraw/zinc/14/20/36/569142036.db2.gz HVFUWVPFVGKJQD-UHFFFAOYSA-N 0 0 431.514 3.516 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1COC1 ZINC000170598302 569142288 /nfs/dbraw/zinc/14/22/88/569142288.db2.gz NUVGRSULTGPWDU-UHFFFAOYSA-N 0 0 445.507 3.764 50 0 IHAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000170599047 569142505 /nfs/dbraw/zinc/14/25/05/569142505.db2.gz JSWBSAVMTHKXGU-OAQYLSRUSA-N 0 0 427.460 3.803 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000170601281 569143158 /nfs/dbraw/zinc/14/31/58/569143158.db2.gz CGKSMNLAOPQYHD-LRDDRELGSA-N 0 0 427.339 3.976 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)cc12 ZINC000170602458 569143272 /nfs/dbraw/zinc/14/32/72/569143272.db2.gz PWTRMTZNXZQENI-HNNXBMFYSA-N 0 0 444.576 3.511 50 0 IHAARN CC(=O)N1CCN(Cc2ccccc2NC(=O)c2sc(-c3ccc(C)o3)nc2C)CC1 ZINC000170602424 569143275 /nfs/dbraw/zinc/14/32/75/569143275.db2.gz UCHLOSHFCZRKQM-UHFFFAOYSA-N 0 0 438.553 3.936 50 0 IHAARN CO[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)CC[C@@H]1C ZINC000170603462 569143574 /nfs/dbraw/zinc/14/35/74/569143574.db2.gz GKVOPNLZNXLSGD-KXBFYZLASA-N 0 0 436.961 3.662 50 0 IHAARN Cc1noc(C)c1CSCC(=O)N1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000170605904 569143915 /nfs/dbraw/zinc/14/39/15/569143915.db2.gz ZYCUWGBAGQLZPV-UHFFFAOYSA-N 0 0 426.542 3.524 50 0 IHAARN Cc1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2I)n1 ZINC000170606426 569144054 /nfs/dbraw/zinc/14/40/54/569144054.db2.gz ZSBFEZADKRCTFV-UHFFFAOYSA-N 0 0 425.148 3.573 50 0 IHAARN Cn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000170607976 569144109 /nfs/dbraw/zinc/14/41/09/569144109.db2.gz SROLHJMBUBDLNC-IAGOWNOFSA-N 0 0 449.898 3.757 50 0 IHAARN COc1cccc2c(=O)c(C)c(C(=O)N[C@H](C)Cc3ccccc3Br)[nH]c12 ZINC000170610343 569144852 /nfs/dbraw/zinc/14/48/52/569144852.db2.gz FWQVSKWPBDGDOD-GFCCVEGCSA-N 0 0 429.314 3.969 50 0 IHAARN Cn1ccc2c1cccc2C(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608629 569144910 /nfs/dbraw/zinc/14/49/10/569144910.db2.gz FSRHMXXJQWOWNX-IFMALSPDSA-N 0 0 447.535 3.592 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1nc(Br)ccc1Br ZINC000170610901 569144969 /nfs/dbraw/zinc/14/49/69/569144969.db2.gz HBENSPJQBSAHIQ-GFCCVEGCSA-N 0 0 443.139 3.767 50 0 IHAARN Nc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cn1 ZINC000170610801 569145007 /nfs/dbraw/zinc/14/50/07/569145007.db2.gz RMYHQWSIPQQIMH-UHFFFAOYSA-N 0 0 438.582 3.841 50 0 IHAARN CC(C)(C)OC(=O)NCCc1nc(C(=O)NCCCCOc2ccc(F)cc2)cs1 ZINC000170610223 569145124 /nfs/dbraw/zinc/14/51/24/569145124.db2.gz WCAPUWAZMFDUJU-UHFFFAOYSA-N 0 0 437.537 3.938 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626250 569148589 /nfs/dbraw/zinc/14/85/89/569148589.db2.gz AMXLFTYUSJRMQP-UHFFFAOYSA-N 0 0 429.270 3.682 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(NCc3ccco3)s2)n(-c2ccccc2)n1 ZINC000009882632 569149820 /nfs/dbraw/zinc/14/98/20/569149820.db2.gz PTPGDZOGMZQKBZ-UHFFFAOYSA-N 0 0 426.527 3.968 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000009883035 569149862 /nfs/dbraw/zinc/14/98/62/569149862.db2.gz AUNYACPBYROALQ-UHFFFAOYSA-N 0 0 442.519 3.596 50 0 IHAARN COc1cc(OC)cc([C@@H](NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c2nccn2C)c1 ZINC000009883248 569150014 /nfs/dbraw/zinc/15/00/14/569150014.db2.gz PDJGKZQZDBZPDY-OAQYLSRUSA-N 0 0 443.569 3.739 50 0 IHAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009883737 569150076 /nfs/dbraw/zinc/15/00/76/569150076.db2.gz KUQMYGGHOMMFJX-AVRDEDQJSA-N 0 0 430.504 3.676 50 0 IHAARN O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 ZINC000010027276 569151815 /nfs/dbraw/zinc/15/18/15/569151815.db2.gz UVYYLESXENCGRA-UHFFFAOYSA-N 0 0 433.489 3.925 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2Cl)CSC3)cc1 ZINC000010220910 569153054 /nfs/dbraw/zinc/15/30/54/569153054.db2.gz OARRXFDWGPZRMD-UHFFFAOYSA-N 0 0 426.929 3.836 50 0 IHAARN CCOc1ccc(C(c2c(O)cc(C)n(CC)c2=O)c2c(O)cc(C)n(CC)c2=O)cc1 ZINC000010217747 569153377 /nfs/dbraw/zinc/15/33/77/569153377.db2.gz QKIJXQKQPMUJCG-UHFFFAOYSA-N 0 0 438.524 3.657 50 0 IHAARN COc1ccc(OC)c2sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000010219003 569153590 /nfs/dbraw/zinc/15/35/90/569153590.db2.gz MMCOXELDCGZKJY-UHFFFAOYSA-N 0 0 438.502 3.645 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@H]1c1ccc(OC)cc1 ZINC000071794097 569154343 /nfs/dbraw/zinc/15/43/43/569154343.db2.gz ZJGFJJRUBCKMMC-RBBKRZOGSA-N 0 0 435.528 3.614 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000013295760 569154864 /nfs/dbraw/zinc/15/48/64/569154864.db2.gz YCYKFLKFOALMFD-CYBMUJFWSA-N 0 0 425.493 3.851 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)Nc1ccc(F)cc1F ZINC000013706647 569156786 /nfs/dbraw/zinc/15/67/86/569156786.db2.gz NRPGIDZAXZZWPG-UHFFFAOYSA-N 0 0 444.829 3.923 50 0 IHAARN COc1cc(NC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc(OC)c1 ZINC000013801813 569157166 /nfs/dbraw/zinc/15/71/66/569157166.db2.gz XOQRGHQBKUVPAP-UHFFFAOYSA-N 0 0 442.903 3.793 50 0 IHAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000013961848 569157387 /nfs/dbraw/zinc/15/73/87/569157387.db2.gz SAJFVQQOCJIQHO-UHFFFAOYSA-N 0 0 432.480 3.935 50 0 IHAARN Cc1nc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)[nH]c1Cc1ccccc1 ZINC000014044925 569157597 /nfs/dbraw/zinc/15/75/97/569157597.db2.gz SZGVCNDXAPRURL-UHFFFAOYSA-N 0 0 436.581 3.872 50 0 IHAARN O=C(OCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000014621239 569159591 /nfs/dbraw/zinc/15/95/91/569159591.db2.gz WWYDOBRORLPVRT-UHFFFAOYSA-N 0 0 447.516 3.667 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014626236 569159611 /nfs/dbraw/zinc/15/96/11/569159611.db2.gz PXDSESUMTRCOSO-UHFFFAOYSA-N 0 0 426.542 3.873 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C)c(C)c1 ZINC000089643234 569160334 /nfs/dbraw/zinc/16/03/34/569160334.db2.gz OTVBSWHDIZRBMT-UHFFFAOYSA-N 0 0 446.569 3.894 50 0 IHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1C ZINC000089643221 569160381 /nfs/dbraw/zinc/16/03/81/569160381.db2.gz LJYMWVJTOOEEFZ-UHFFFAOYSA-N 0 0 443.352 3.883 50 0 IHAARN CC(C)(C)[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000089642941 569160437 /nfs/dbraw/zinc/16/04/37/569160437.db2.gz HLPZZKHEKVUEMK-AWEZNQCLSA-N 0 0 438.410 3.590 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000089646990 569160553 /nfs/dbraw/zinc/16/05/53/569160553.db2.gz DJJSOUPAWARHJL-UHFFFAOYSA-N 0 0 448.610 3.849 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21 ZINC000016837528 569162639 /nfs/dbraw/zinc/16/26/39/569162639.db2.gz LLHXNSHFDUIDMI-UHFFFAOYSA-N 0 0 436.599 3.905 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c3ccccc3[nH]c2c1=O ZINC000016837374 569162674 /nfs/dbraw/zinc/16/26/74/569162674.db2.gz AWHGMGFNWCMQNS-UHFFFAOYSA-N 0 0 435.509 3.587 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000016840306 569163135 /nfs/dbraw/zinc/16/31/35/569163135.db2.gz TWXHBOAMLZGVTM-UHFFFAOYSA-N 0 0 444.447 3.550 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O ZINC000016839978 569163136 /nfs/dbraw/zinc/16/31/36/569163136.db2.gz WHZCSIYYDPLJQP-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)ccn3n2)cc1 ZINC000016842033 569163373 /nfs/dbraw/zinc/16/33/73/569163373.db2.gz RRXOOWDCCKKLGQ-UHFFFAOYSA-N 0 0 443.463 3.669 50 0 IHAARN C[C@@H]1CCCCN1C(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000016841518 569163378 /nfs/dbraw/zinc/16/33/78/569163378.db2.gz YJWNBZRAWQSSBW-QGZVFWFLSA-N 0 0 432.499 3.940 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1 ZINC000016841987 569163383 /nfs/dbraw/zinc/16/33/83/569163383.db2.gz HXQMWLAFEDONGI-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000016843507 569163685 /nfs/dbraw/zinc/16/36/85/569163685.db2.gz HGTURGHAVFGLEE-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN COc1cccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Br)c4)no3)n2)c1 ZINC000016844820 569163768 /nfs/dbraw/zinc/16/37/68/569163768.db2.gz NSBRRLIVCLAOJD-UHFFFAOYSA-N 0 0 439.269 3.780 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000089797840 569164105 /nfs/dbraw/zinc/16/41/05/569164105.db2.gz OHFCNBHTDUZOCN-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1 ZINC000016850434 569164683 /nfs/dbraw/zinc/16/46/83/569164683.db2.gz BURVPWKNKPUGGL-UHFFFAOYSA-N 0 0 429.523 3.674 50 0 IHAARN COC(=O)c1cc(-c2ccco2)nc2c1c(-c1ccccc1)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000016850645 569164798 /nfs/dbraw/zinc/16/47/98/569164798.db2.gz KCIYITSTLNEZBG-OAHLLOKOSA-N 0 0 437.477 3.505 50 0 IHAARN COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000016856869 569165016 /nfs/dbraw/zinc/16/50/16/569165016.db2.gz SUZOYXLXZJOBGS-UHFFFAOYSA-N 0 0 436.430 3.517 50 0 IHAARN CC(=O)N1CCc2c(sc(NC(=O)C3=COCCO3)c2-c2nc3ccccc3s2)C1 ZINC000016890358 569165481 /nfs/dbraw/zinc/16/54/81/569165481.db2.gz NCDRKDMAQGGHRV-UHFFFAOYSA-N 0 0 441.534 3.756 50 0 IHAARN O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000089853216 569166258 /nfs/dbraw/zinc/16/62/58/569166258.db2.gz NSHZJLFROGPQJE-UHFFFAOYSA-N 0 0 447.878 3.512 50 0 IHAARN O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000089866722 569166304 /nfs/dbraw/zinc/16/63/04/569166304.db2.gz QVROJBHZZUQUMP-UHFFFAOYSA-N 0 0 435.491 3.531 50 0 IHAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000089873171 569166344 /nfs/dbraw/zinc/16/63/44/569166344.db2.gz TXIJDOHWZPRMAP-NQIIRXRSSA-N 0 0 448.485 3.854 50 0 IHAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000089883839 569166541 /nfs/dbraw/zinc/16/65/41/569166541.db2.gz NISPMTMEBJRWFB-UHFFFAOYSA-N 0 0 427.913 3.668 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C[C@@H]2C)c1 ZINC000089939381 569168209 /nfs/dbraw/zinc/16/82/09/569168209.db2.gz RMFOYXQAWHQRJP-INIZCTEOSA-N 0 0 429.517 3.664 50 0 IHAARN CCOc1ncccc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000089988816 569170096 /nfs/dbraw/zinc/17/00/96/569170096.db2.gz DTZIQCKCCAXEHL-UHFFFAOYSA-N 0 0 426.494 3.833 50 0 IHAARN Cc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1 ZINC000017011687 569170460 /nfs/dbraw/zinc/17/04/60/569170460.db2.gz YVNXLPWZWSWYPY-UHFFFAOYSA-N 0 0 437.891 3.797 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1 ZINC000017011730 569170470 /nfs/dbraw/zinc/17/04/70/569170470.db2.gz LBIGTMSVISXAJK-UHFFFAOYSA-N 0 0 435.831 3.514 50 0 IHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)n2)cc1 ZINC000017042720 569171642 /nfs/dbraw/zinc/17/16/42/569171642.db2.gz OTXKMBXGZHFQDD-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN CNc1nn(CC(=O)Nc2ccc(Cl)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000017051907 569171859 /nfs/dbraw/zinc/17/18/59/569171859.db2.gz OUMWKQMLCFHJHL-UHFFFAOYSA-N 0 0 437.891 3.825 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(C)c3)s2)cc1OC ZINC000017123142 569174245 /nfs/dbraw/zinc/17/42/45/569174245.db2.gz VGPZQMQOECEGRQ-UHFFFAOYSA-N 0 0 439.537 3.742 50 0 IHAARN O=C(Nc1nc2c(cccc2F)s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000017149800 569174839 /nfs/dbraw/zinc/17/48/39/569174839.db2.gz ULCKSTWSJMOICQ-LBPRGKRZSA-N 0 0 425.532 3.679 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccccn3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000009241398 569175559 /nfs/dbraw/zinc/17/55/59/569175559.db2.gz FHOVVPIRTRQVLM-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN CCCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 ZINC000017286389 569176949 /nfs/dbraw/zinc/17/69/49/569176949.db2.gz UNABJOPFXJMMIQ-UHFFFAOYSA-N 0 0 427.482 3.504 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000002871754 569177467 /nfs/dbraw/zinc/17/74/67/569177467.db2.gz AMHJAGLVTUMATL-UHFFFAOYSA-N 0 0 432.542 3.714 50 0 IHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O ZINC000002087727 569178459 /nfs/dbraw/zinc/17/84/59/569178459.db2.gz ROVKXANRMCNNOH-GBXCKJPGSA-N 0 0 436.508 3.999 50 0 biogenic IHAARN CC(C)(C)OC(=O)N1CC(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)C1 ZINC000170641687 569181435 /nfs/dbraw/zinc/18/14/35/569181435.db2.gz UMJMIVUOKWGVJI-UHFFFAOYSA-N 0 0 429.590 3.634 50 0 IHAARN COc1ccc(-n2nc3nc(NC[C@@H]4CCCO4)nc(-c4cccc(OC)c4)c3c2N)cc1 ZINC000037360504 569181441 /nfs/dbraw/zinc/18/14/41/569181441.db2.gz SVFYFDDBIJXTJC-IBGZPJMESA-N 0 0 446.511 3.673 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000252444462 569183910 /nfs/dbraw/zinc/18/39/10/569183910.db2.gz FZYMTOXTKACNBW-MJQMVNBJSA-N 0 0 434.964 3.913 50 0 IHAARN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COc1c(Br)cccc1Br ZINC000252475097 569185655 /nfs/dbraw/zinc/18/56/55/569185655.db2.gz SOUHREYBVACSKN-SNVBAGLBSA-N 0 0 443.139 3.819 50 0 IHAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000027216304 569186225 /nfs/dbraw/zinc/18/62/25/569186225.db2.gz QXOPJZJGGJTLON-UHFFFAOYSA-N 0 0 442.972 3.750 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3Cc4ccccc43)ccc2Cl)C1 ZINC000252515586 569189183 /nfs/dbraw/zinc/18/91/83/569189183.db2.gz LYIOOPDGRUXPSP-MAUKXSAKSA-N 0 0 432.973 3.830 50 0 IHAARN Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@@H]1CCCCN31 ZINC000208133270 569189220 /nfs/dbraw/zinc/18/92/20/569189220.db2.gz HNRZMLRLNGETIV-HFZDXXHNSA-N 0 0 446.551 3.856 50 0 IHAARN CC(C)Cc1nc2cc(NC(=O)CC[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2[nH]1 ZINC000252519020 569189315 /nfs/dbraw/zinc/18/93/15/569189315.db2.gz ARRFOOSHCCAQDO-LJQANCHMSA-N 0 0 433.512 3.805 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000252550331 569190940 /nfs/dbraw/zinc/19/09/40/569190940.db2.gz SJJPFWCDFGSICB-UQIDSAAFSA-N 0 0 433.512 3.947 50 0 IHAARN COc1ccc(OC)c(-c2nc3sc(C)cn3c2CN2CCN(C(=O)C(C)C)CC2)c1 ZINC000037400932 569195055 /nfs/dbraw/zinc/19/50/55/569195055.db2.gz XDSNMFKZXZXZKJ-UHFFFAOYSA-N 0 0 442.585 3.689 50 0 IHAARN COc1ccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000037557644 569200671 /nfs/dbraw/zinc/20/06/71/569200671.db2.gz BCHNMOZHJTYCSY-UHFFFAOYSA-N 0 0 436.487 3.591 50 0 IHAARN CCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000027395335 569204475 /nfs/dbraw/zinc/20/44/75/569204475.db2.gz CDZNDCTYVFVHIZ-UHFFFAOYSA-N 0 0 437.521 3.880 50 0 IHAARN COc1cc(C=c2sc3nc4c(cccc4C)n3c2=O)cc(Br)c1OC ZINC000252667413 569209697 /nfs/dbraw/zinc/20/96/97/569209697.db2.gz DBNNENNAUXOZGR-UHFFFAOYSA-N 0 0 431.311 3.545 50 0 IHAARN CS(=O)(=O)c1ccc(N2CCC[C@H]2[C@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 ZINC000252676232 569210442 /nfs/dbraw/zinc/21/04/42/569210442.db2.gz WLCYLHFBMBHPAQ-PMACEKPBSA-N 0 0 433.595 3.583 50 0 IHAARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccc(Cl)c1 ZINC000001460078 569256527 /nfs/dbraw/zinc/25/65/27/569256527.db2.gz MCQCVMPSGLKXNX-JLBUNGTFSA-N 0 0 431.916 3.905 50 0 IHAARN COc1cc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc(OC)c1OC ZINC000027528049 569263467 /nfs/dbraw/zinc/26/34/67/569263467.db2.gz RXWLQSFSLFWNJV-UHFFFAOYSA-N 0 0 449.438 3.612 50 0 IHAARN COCC1(CNC(=O)c2cc(-c3ccccc3)on2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416316 569266355 /nfs/dbraw/zinc/26/63/55/569266355.db2.gz AMSXAIAHOLAYNZ-UHFFFAOYSA-N 0 0 429.517 3.735 50 0 IHAARN O=C(Nc1ccc(I)cn1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000253417744 569266481 /nfs/dbraw/zinc/26/64/81/569266481.db2.gz HCFZQKJFVCPCFF-UHFFFAOYSA-N 0 0 442.163 3.926 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002298128 569268435 /nfs/dbraw/zinc/26/84/35/569268435.db2.gz NIXBYPLLRWVKOV-PZHBDVNGSA-N 0 0 432.545 3.532 50 0 IHAARN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000253433129 569269244 /nfs/dbraw/zinc/26/92/44/569269244.db2.gz SLYIYKUKHPONNR-WCQYABFASA-N 0 0 428.396 3.940 50 0 IHAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)CC(C)(C)OC3 ZINC000002337120 569274949 /nfs/dbraw/zinc/27/49/49/569274949.db2.gz WNANHUOIKZNVHM-UHFFFAOYSA-N 0 0 438.600 3.958 50 0 IHAARN COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000002340683 569275051 /nfs/dbraw/zinc/27/50/51/569275051.db2.gz ISQGOHVTSZVMGX-LJQANCHMSA-N 0 0 429.856 3.661 50 0 IHAARN COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002347376 569281086 /nfs/dbraw/zinc/28/10/86/569281086.db2.gz WGVRURCMVDPVDG-INIZCTEOSA-N 0 0 436.217 3.772 50 0 IHAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000253472790 569282801 /nfs/dbraw/zinc/28/28/01/569282801.db2.gz PJTLHNLBTJDPJC-KRWDZBQOSA-N 0 0 431.457 3.715 50 0 IHAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000253537703 569284181 /nfs/dbraw/zinc/28/41/81/569284181.db2.gz MTUVDYSZSZHOKZ-UHFFFAOYSA-N 0 0 428.901 3.776 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@H](C)COC)c3nc4ccccc4nc32)cc1 ZINC000002358794 569285927 /nfs/dbraw/zinc/28/59/27/569285927.db2.gz BELJFQVCIUCGAZ-CQSZACIVSA-N 0 0 448.479 3.524 50 0 IHAARN CCN(CC)C(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000027642164 569286089 /nfs/dbraw/zinc/28/60/89/569286089.db2.gz CDQCYBXRNLOTSU-JATUTAOYSA-N 0 0 443.628 3.879 50 0 in-vitro IHAARN COc1ccc([C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 ZINC000252494098 569288004 /nfs/dbraw/zinc/28/80/04/569288004.db2.gz NKUGFASIDMSWML-RBBKRZOGSA-N 0 0 439.512 3.627 50 0 IHAARN C[C@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccc4ccccc4n3)c2C(N)=O)C1 ZINC000008825510 569290966 /nfs/dbraw/zinc/29/09/66/569290966.db2.gz OGFSLWXMHRDZRZ-MARXPDLDSA-N 0 0 449.532 3.715 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000008883308 569291938 /nfs/dbraw/zinc/29/19/38/569291938.db2.gz HIIMZPZKUDKNMA-AWNIVKPZSA-N 0 0 431.439 3.747 50 0 IHAARN O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000009989104 569298950 /nfs/dbraw/zinc/29/89/50/569298950.db2.gz CQDAGVVRMCIIAS-VMPITWQZSA-N 0 0 431.004 3.967 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@@H]32)cc1 ZINC000002405001 569299984 /nfs/dbraw/zinc/29/99/84/569299984.db2.gz IFOYPCNDWLAKSH-YJYMSZOUSA-N 0 0 440.546 3.803 50 0 IHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000002411502 569300951 /nfs/dbraw/zinc/30/09/51/569300951.db2.gz WVTYDKLYPZOZOS-AWEZNQCLSA-N 0 0 429.926 3.919 50 0 IHAARN O=C(C=Cc1cccc2cccnc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013008696 569306543 /nfs/dbraw/zinc/30/65/43/569306543.db2.gz NASJOYNKCJDBND-SJFMBGHLSA-N 0 0 440.503 3.692 50 0 IHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccccc3F)C2=O)cc1 ZINC000013014277 569307022 /nfs/dbraw/zinc/30/70/22/569307022.db2.gz HUIHWYKGRGWHPX-UHFFFAOYSA-N 0 0 448.450 3.521 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000013039083 569307820 /nfs/dbraw/zinc/30/78/20/569307820.db2.gz SVKJHJYETPLDDP-MRXNPFEDSA-N 0 0 446.503 3.750 50 0 IHAARN CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C ZINC000013039826 569307927 /nfs/dbraw/zinc/30/79/27/569307927.db2.gz DVRNOYHYUQULQE-UHFFFAOYSA-N 0 0 447.557 3.694 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000013071372 569308974 /nfs/dbraw/zinc/30/89/74/569308974.db2.gz ABJGMZGDYUDCKT-UHFFFAOYSA-N 0 0 432.586 3.512 50 0 IHAARN CC(C)(C)[C@@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O ZINC000328593115 569317304 /nfs/dbraw/zinc/31/73/04/569317304.db2.gz BJVCPPJUVVUHBJ-SUMWQHHRSA-N 0 0 430.555 3.658 50 0 IHAARN O=C(c1ccc2c(c1)CCC2)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC000328594557 569317633 /nfs/dbraw/zinc/31/76/33/569317633.db2.gz UEOCQQWHFVZHHB-UHFFFAOYSA-N 0 0 437.341 3.776 50 0 IHAARN CC[C@@H](C)N1CC(=O)N([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O ZINC000328595590 569317716 /nfs/dbraw/zinc/31/77/16/569317716.db2.gz YTNSGKQSTCEADN-GDBMZVCRSA-N 0 0 436.350 3.624 50 0 IHAARN CC(C)C[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000078714522 569318479 /nfs/dbraw/zinc/31/84/79/569318479.db2.gz BQNWWMSIFUQHFF-VXIBKDFQSA-N 0 0 439.581 3.709 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)/C=C/c1c(F)cccc1Cl)CC2 ZINC000019353766 569318821 /nfs/dbraw/zinc/31/88/21/569318821.db2.gz UKFWMRFFDXOVEC-VOTSOKGWSA-N 0 0 433.863 3.638 50 0 IHAARN O=c1c2ccccc2ncn1CCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000078814676 569319356 /nfs/dbraw/zinc/31/93/56/569319356.db2.gz JZQCQJKOENTTLT-OAHLLOKOSA-N 0 0 439.566 3.688 50 0 IHAARN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000078932138 569320237 /nfs/dbraw/zinc/32/02/37/569320237.db2.gz WZOYGYUIFUXLRJ-UHFFFAOYSA-N 0 0 426.563 3.984 50 0 IHAARN CCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000019531987 569320808 /nfs/dbraw/zinc/32/08/08/569320808.db2.gz LKJFFLBVLXNALV-UHFFFAOYSA-N 0 0 448.489 3.993 50 0 IHAARN COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(=O)Nc1cnn(C(C)C)c1 ZINC000079023469 569322615 /nfs/dbraw/zinc/32/26/15/569322615.db2.gz NWTVZOLUMRFMTF-UHFFFAOYSA-N 0 0 426.448 3.768 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000079052261 569323558 /nfs/dbraw/zinc/32/35/58/569323558.db2.gz DQYVXOKSPWVSBM-KKSFZXQISA-N 0 0 444.578 3.939 50 0 IHAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000079068012 569324477 /nfs/dbraw/zinc/32/44/77/569324477.db2.gz LLWABUWUWNQAAW-UHFFFAOYSA-N 0 0 439.466 3.859 50 0 IHAARN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1c1ncnc2c1cnn2-c1ccccc1 ZINC000079076546 569324724 /nfs/dbraw/zinc/32/47/24/569324724.db2.gz UPDQOIJODDSPCL-OAQYLSRUSA-N 0 0 440.507 3.748 50 0 IHAARN CCOc1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)ccc1OCc1cccnc1 ZINC000079110152 569326073 /nfs/dbraw/zinc/32/60/73/569326073.db2.gz WDCMLWIYKHUDAD-JOCHJYFZSA-N 0 0 433.508 3.886 50 0 IHAARN COC(=O)c1ccc(NC(=O)CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000079484643 569330964 /nfs/dbraw/zinc/33/09/64/569330964.db2.gz WTIVMTCBLKRHIA-UHFFFAOYSA-N 0 0 448.523 3.865 50 0 IHAARN O=C(CCn1ccc2ccc(Br)cc21)N1CCN(CCc2ccccn2)CC1 ZINC000079491668 569331224 /nfs/dbraw/zinc/33/12/24/569331224.db2.gz MZQRENXRMIMDCP-UHFFFAOYSA-N 0 0 441.373 3.576 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000002463323 569331792 /nfs/dbraw/zinc/33/17/92/569331792.db2.gz LZDIDLGNXREJNR-LIRRHRJNSA-N 0 0 432.542 3.942 50 0 IHAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccccc3Cl)(C(F)(F)F)C2=O)cc1C ZINC000020069611 569333297 /nfs/dbraw/zinc/33/32/97/569333297.db2.gz PHGXMRPNVPSLHH-GOSISDBHSA-N 0 0 425.794 3.906 50 0 IHAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104646 569334110 /nfs/dbraw/zinc/33/41/10/569334110.db2.gz UJXSQXJADGRHQF-DHIUTWEWSA-N 0 0 440.540 3.785 50 0 IHAARN O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020117375 569335289 /nfs/dbraw/zinc/33/52/89/569335289.db2.gz JZPNVRZBCBWVSL-UHFFFAOYSA-N 0 0 441.487 3.939 50 0 IHAARN O=C(Cn1c2ccccc2c(=O)n(Cc2ccccc2)c1=O)c1ccc(Br)cc1 ZINC000020130884 569335338 /nfs/dbraw/zinc/33/53/38/569335338.db2.gz XQGNVBODVXBBNB-UHFFFAOYSA-N 0 0 449.304 3.857 50 0 IHAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000020152519 569353404 /nfs/dbraw/zinc/35/34/04/569353404.db2.gz HBTVETRUGOIWBU-DEOSSOPVSA-N 0 0 430.504 3.760 50 0 biogenic IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390831850 569354372 /nfs/dbraw/zinc/35/43/72/569354372.db2.gz VKJLFSGPKJTKBV-UHFFFAOYSA-N 0 0 449.898 3.886 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214419 569356534 /nfs/dbraw/zinc/35/65/34/569356534.db2.gz GDBJWOTYNZCTBV-DEOSSOPVSA-N 0 0 449.551 3.703 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCC3=CCCCC3)c(C)o2)cc1OC ZINC000020241722 569358059 /nfs/dbraw/zinc/35/80/59/569358059.db2.gz FXPHWOIMOLCWJP-HKBQPEDESA-N 0 0 446.569 3.923 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c(C)o2)c1 ZINC000020241936 569358136 /nfs/dbraw/zinc/35/81/36/569358136.db2.gz RFNXDWOTQPUVNK-UHFFFAOYSA-N 0 0 434.901 3.866 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(CCCN1CCOCC1)C3=O ZINC000020308620 569359491 /nfs/dbraw/zinc/35/94/91/569359491.db2.gz PEOPDIWJUYGXEQ-QFIPXVFZSA-N 0 0 436.483 3.508 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)NC1(c2ccc(Br)cc2)CCC1 ZINC000095364877 569362388 /nfs/dbraw/zinc/36/23/88/569362388.db2.gz COGWCLCIJZZWMN-UHFFFAOYSA-N 0 0 434.359 3.771 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C ZINC000080345583 569362774 /nfs/dbraw/zinc/36/27/74/569362774.db2.gz VRCDNHUQIVXWHR-ZDUSSCGKSA-N 0 0 433.917 3.860 50 0 IHAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000095385738 569363374 /nfs/dbraw/zinc/36/33/74/569363374.db2.gz HGUQKYOPQOGHKO-UHFFFAOYSA-N 0 0 427.888 3.789 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000095398236 569363651 /nfs/dbraw/zinc/36/36/51/569363651.db2.gz ZBVDFDBQCXLTSM-XLIONFOSSA-N 0 0 439.508 3.649 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@@H]43)CC2)c2ccccc12 ZINC000095410788 569365319 /nfs/dbraw/zinc/36/53/19/569365319.db2.gz AWUULEBLJRQDCC-CVDCTZTESA-N 0 0 436.552 3.728 50 0 IHAARN CCOc1ccc(CCNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1OCC ZINC000020437270 569365592 /nfs/dbraw/zinc/36/55/92/569365592.db2.gz XPOHPEFWTPOOPM-UHFFFAOYSA-N 0 0 438.572 3.982 50 0 IHAARN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1c(C)noc1C ZINC000095441559 569366704 /nfs/dbraw/zinc/36/67/04/569366704.db2.gz MARBXBNHNJMRGQ-GOSISDBHSA-N 0 0 433.555 3.713 50 0 IHAARN COc1ccc2cc([C@H](C)C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)ccc2c1 ZINC000095449732 569367644 /nfs/dbraw/zinc/36/76/44/569367644.db2.gz YMBOBXAJGSBPHN-KRWDZBQOSA-N 0 0 438.549 3.760 50 0 IHAARN CCc1nc(CC(=O)NCc2ccc(N(C)C(=O)Cc3csc(CC)n3)cc2)cs1 ZINC000095451337 569367761 /nfs/dbraw/zinc/36/77/61/569367761.db2.gz XSDHXPOLRDKRRD-UHFFFAOYSA-N 0 0 442.610 3.789 50 0 IHAARN CC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460876 569369732 /nfs/dbraw/zinc/36/97/32/569369732.db2.gz UIZSTHPKYFDKDC-HXUWFJFHSA-N 0 0 433.512 3.822 50 0 IHAARN CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460875 569369747 /nfs/dbraw/zinc/36/97/47/569369747.db2.gz UIZSTHPKYFDKDC-FQEVSTJZSA-N 0 0 433.512 3.822 50 0 IHAARN CC[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nc(-c2ccccc2)c[nH]1 ZINC000095460980 569369769 /nfs/dbraw/zinc/36/97/69/569369769.db2.gz KPVQOPCFRUDTKV-CQSZACIVSA-N 0 0 430.306 3.811 50 0 IHAARN O=S(=O)(c1ccc(Br)c(Cl)c1)N(C[C@@H](O)c1ccccc1)C1CC1 ZINC000095461978 569370010 /nfs/dbraw/zinc/37/00/10/569370010.db2.gz YTGICVPUACHPEU-QGZVFWFLSA-N 0 0 430.751 3.989 50 0 IHAARN O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000095473808 569372488 /nfs/dbraw/zinc/37/24/88/569372488.db2.gz LSRKRPFUWKMAEK-QGZVFWFLSA-N 0 0 449.385 3.809 50 0 IHAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000095478896 569373612 /nfs/dbraw/zinc/37/36/12/569373612.db2.gz DMBBMPOTFCBTBB-UHFFFAOYSA-N 0 0 449.551 3.809 50 0 IHAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000020645393 569374793 /nfs/dbraw/zinc/37/47/93/569374793.db2.gz ZACMSGACJYFROR-JTDSTZFVSA-N 0 0 430.618 3.582 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896163 569375073 /nfs/dbraw/zinc/37/50/73/569375073.db2.gz RSKCQEHDXXOCEG-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN COC(=O)C[C@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 ZINC000095941214 569375397 /nfs/dbraw/zinc/37/53/97/569375397.db2.gz TUYGPFXHQQKCJV-ZDUSSCGKSA-N 0 0 431.739 3.997 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000095947785 569376406 /nfs/dbraw/zinc/37/64/06/569376406.db2.gz ZOLZPFPBFKWJTL-JOCHJYFZSA-N 0 0 434.565 3.663 50 0 IHAARN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCC(F)(F)F)nn1 ZINC000096004530 569379271 /nfs/dbraw/zinc/37/92/71/569379271.db2.gz AWTDTODGODPQLY-UHFFFAOYSA-N 0 0 437.397 3.652 50 0 IHAARN O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)c1cccc(-n2cccn2)c1 ZINC000096006856 569379491 /nfs/dbraw/zinc/37/94/91/569379491.db2.gz KMNYUYIDWFSAQC-UHFFFAOYSA-N 0 0 438.285 3.701 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)CCc3ccccc3O)cc2)c1 ZINC000096010918 569379704 /nfs/dbraw/zinc/37/97/04/569379704.db2.gz HTXBNFGAEOTCRL-UHFFFAOYSA-N 0 0 434.492 3.733 50 0 IHAARN CCCNC(=O)Nc1cccc(OC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000096013417 569380108 /nfs/dbraw/zinc/38/01/08/569380108.db2.gz DLZWPDSFLZYEOF-UHFFFAOYSA-N 0 0 448.273 3.531 50 0 IHAARN O=C([C@H]1CCCN(Cc2ncc(Br)cc2Br)C1)N1CCCCC1 ZINC000096013593 569380303 /nfs/dbraw/zinc/38/03/03/569380303.db2.gz WDZPIYWUUASXED-ZDUSSCGKSA-N 0 0 445.199 3.831 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000096013913 569380364 /nfs/dbraw/zinc/38/03/64/569380364.db2.gz JCNOYVJNLKTYQD-BLLLJJGKSA-N 0 0 426.007 3.876 50 0 IHAARN O=C(N1CCC(Oc2ncccc2Br)CC1)C1(c2ccccc2)CCOCC1 ZINC000096096985 569381274 /nfs/dbraw/zinc/38/12/74/569381274.db2.gz QKOAWMBZUBGMRP-UHFFFAOYSA-N 0 0 445.357 3.962 50 0 IHAARN COCC(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3Br)cc21 ZINC000096120152 569384934 /nfs/dbraw/zinc/38/49/34/569384934.db2.gz MWCLGCRGRTUXHL-UHFFFAOYSA-N 0 0 431.330 3.946 50 0 IHAARN COCCn1cc(C(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)c2ccccc2c1=O ZINC000096222230 569387090 /nfs/dbraw/zinc/38/70/90/569387090.db2.gz CWXBYASEANNZLB-HSZRJFAPSA-N 0 0 445.519 3.945 50 0 biogenic IHAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(OC)c(O)c1 ZINC000096231227 569387499 /nfs/dbraw/zinc/38/74/99/569387499.db2.gz HWNIEKIWLBUOQM-LBPRGKRZSA-N 0 0 436.386 3.533 50 0 IHAARN CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000096274228 569388178 /nfs/dbraw/zinc/38/81/78/569388178.db2.gz UTSVNQJAYZEPGR-YJBOKZPZSA-N 0 0 444.582 3.678 50 0 IHAARN COCc1nnc(SCc2ccccc2C(=O)N2CCCC2)n1-c1ccc(OC)cc1 ZINC000096290741 569390974 /nfs/dbraw/zinc/39/09/74/569390974.db2.gz BWCXJABADCHAQC-UHFFFAOYSA-N 0 0 438.553 3.951 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(CC2CC2)C(=O)Nc2ccccc2OC)ccc1OC ZINC000096294646 569391765 /nfs/dbraw/zinc/39/17/65/569391765.db2.gz VXEXEGXNBXMJIL-UHFFFAOYSA-N 0 0 448.541 3.876 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC[C@H](Cc3nc4cccnc4n3C(C)C)C2)cc1Cl ZINC000096310553 569392567 /nfs/dbraw/zinc/39/25/67/569392567.db2.gz DXYIVCPCSWFVNP-OAHLLOKOSA-N 0 0 448.976 3.928 50 0 IHAARN NC(=O)CNC(=O)c1ccc(NC(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)s2)cc1 ZINC000096314856 569392792 /nfs/dbraw/zinc/39/27/92/569392792.db2.gz PFQJAXKFDMNTJL-BENRWUELSA-N 0 0 439.924 3.936 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(C)c1C)c(=O)n2CC(=O)N[C@@H](C)c1ccccc1 ZINC000096318227 569393733 /nfs/dbraw/zinc/39/37/33/569393733.db2.gz HDLRAMGLIMGDSE-FQEVSTJZSA-N 0 0 441.531 3.955 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324604 569395987 /nfs/dbraw/zinc/39/59/87/569395987.db2.gz LQFSWTJCGLJJFI-UHFFFAOYSA-N 0 0 427.867 3.755 50 0 IHAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cc(F)ccc1F)C3 ZINC000096326914 569396330 /nfs/dbraw/zinc/39/63/30/569396330.db2.gz ABZMHKLLNOUDJA-UHFFFAOYSA-N 0 0 433.842 3.877 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2C)cc1 ZINC000096347370 569397330 /nfs/dbraw/zinc/39/73/30/569397330.db2.gz SDKHAYRHAMDNPV-UHFFFAOYSA-N 0 0 432.480 3.704 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1cccnc1 ZINC000096372450 569397827 /nfs/dbraw/zinc/39/78/27/569397827.db2.gz AGZJHSNPXUADGC-KRWDZBQOSA-N 0 0 425.492 3.578 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(F)cc2)c1OC ZINC000096387143 569398900 /nfs/dbraw/zinc/39/89/00/569398900.db2.gz VCGDZUPQCXVABM-IBGZPJMESA-N 0 0 435.455 3.646 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000096399488 569400032 /nfs/dbraw/zinc/40/00/32/569400032.db2.gz KKCMAMXAYHFJOA-UHFFFAOYSA-N 0 0 425.532 3.846 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1ccc([C@H]2CN(Cc3ccccc3)C(=O)c3ccccc32)o1 ZINC000334162880 569402271 /nfs/dbraw/zinc/40/22/71/569402271.db2.gz FVGHCODMDSNXSI-UGKGYDQZSA-N 0 0 430.504 3.976 50 0 IHAARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000097037960 569402995 /nfs/dbraw/zinc/40/29/95/569402995.db2.gz IMFBDUBBDILZSX-SFHVURJKSA-N 0 0 448.571 3.627 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097161260 569403129 /nfs/dbraw/zinc/40/31/29/569403129.db2.gz CEFLQRHKYKDYPO-OAQYLSRUSA-N 0 0 445.485 3.654 50 0 IHAARN CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000097164750 569403308 /nfs/dbraw/zinc/40/33/08/569403308.db2.gz OMAFYZQCQUQKKF-LPHOPBHVSA-N 0 0 433.915 3.579 50 0 IHAARN COc1cccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)c1 ZINC000225562067 569404535 /nfs/dbraw/zinc/40/45/35/569404535.db2.gz WGFXKOVMYMWWHD-UHFFFAOYSA-N 0 0 436.487 3.758 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccco3)c3cccs3)cc2)co1 ZINC000225591306 569405326 /nfs/dbraw/zinc/40/53/26/569405326.db2.gz SCXOTQLLZIFTJK-FQEVSTJZSA-N 0 0 430.507 3.519 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)c(C)c1 ZINC000002493462 569405552 /nfs/dbraw/zinc/40/55/52/569405552.db2.gz IKHIFEIZYQHSBG-UHFFFAOYSA-N 0 0 440.502 3.902 50 0 IHAARN COc1ccc(C)cc1CN1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000028028529 569406307 /nfs/dbraw/zinc/40/63/07/569406307.db2.gz SXEZWEYWUSESSB-UHFFFAOYSA-N 0 0 430.552 3.636 50 0 IHAARN O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2nsc3ccccc32)CC1 ZINC000225724435 569407475 /nfs/dbraw/zinc/40/74/75/569407475.db2.gz VNBXVZJDYWRDSY-INIZCTEOSA-N 0 0 426.567 3.538 50 0 IHAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228571 569409331 /nfs/dbraw/zinc/40/93/31/569409331.db2.gz WUKUQZINIBFXAP-LAUBAEHRSA-N 0 0 441.524 3.962 50 0 IHAARN Cc1cccc(OCCCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 ZINC000028278321 569409557 /nfs/dbraw/zinc/40/95/57/569409557.db2.gz QOBAZLKJGSTERI-UHFFFAOYSA-N 0 0 428.510 3.864 50 0 IHAARN COc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(C)on4)c23)cc1OC ZINC000002621798 569411236 /nfs/dbraw/zinc/41/12/36/569411236.db2.gz LLMDJYOHNXRANS-UHFFFAOYSA-N 0 0 426.454 3.689 50 0 IHAARN Cc1ccc(CNC(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1 ZINC000002626882 569411746 /nfs/dbraw/zinc/41/17/46/569411746.db2.gz QYBPSILBLZAAPK-UHFFFAOYSA-N 0 0 441.531 3.724 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000002629974 569412162 /nfs/dbraw/zinc/41/21/62/569412162.db2.gz YKVJUTOCIRMXQX-UHFFFAOYSA-N 0 0 436.533 3.870 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O ZINC000002630833 569412357 /nfs/dbraw/zinc/41/23/57/569412357.db2.gz ZOQOAIPUUVURJI-RXFWQSSRSA-N 0 0 433.552 3.759 50 0 IHAARN C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002648974 569414531 /nfs/dbraw/zinc/41/45/31/569414531.db2.gz RNEBXDUHTMRSMS-CQSZACIVSA-N 0 0 448.504 3.550 50 0 IHAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1 ZINC000002663990 569416401 /nfs/dbraw/zinc/41/64/01/569416401.db2.gz CUVNVCSXZVANGY-INIZCTEOSA-N 0 0 438.549 3.967 50 0 IHAARN COc1ccc(CNC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)cc1 ZINC000002688795 569416871 /nfs/dbraw/zinc/41/68/71/569416871.db2.gz LBLNVAYJFWKTOK-UHFFFAOYSA-N 0 0 441.553 3.865 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1ccc2c(c1)OCO2 ZINC000002689810 569416911 /nfs/dbraw/zinc/41/69/11/569416911.db2.gz QYKUWFSCLALUPD-UHFFFAOYSA-N 0 0 444.418 3.739 50 0 IHAARN CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)c(C)n1 ZINC000002778540 569421064 /nfs/dbraw/zinc/42/10/64/569421064.db2.gz IQXMMQIAXFVWDI-LLVKDONJSA-N 0 0 436.276 3.717 50 0 IHAARN Cn1ncc2c3nc(-c4ccc(COc5ccc(Br)cc5)o4)nn3cnc21 ZINC000002800722 569422381 /nfs/dbraw/zinc/42/23/81/569422381.db2.gz VTFQHQGVILSXIN-UHFFFAOYSA-N 0 0 425.246 3.613 50 0 IHAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N1CCCC1 ZINC000002927220 569425794 /nfs/dbraw/zinc/42/57/94/569425794.db2.gz KSYSQVNHUVYJEX-MRXNPFEDSA-N 0 0 444.992 3.991 50 0 IHAARN Cc1nnc2nc(SCC(=O)NCc3ccccc3)n(-c3ccccc3Cl)c(N)c1-2 ZINC000002927480 569425878 /nfs/dbraw/zinc/42/58/78/569425878.db2.gz SSZNPTHFGCIICB-UHFFFAOYSA-N 0 0 438.944 3.598 50 0 IHAARN Cc1nnc2nc(SCC(=O)N3CCC(C)CC3)n(-c3ccccc3Cl)c(N)c1-2 ZINC000002927482 569425908 /nfs/dbraw/zinc/42/59/08/569425908.db2.gz DALGOETUBSALDO-UHFFFAOYSA-N 0 0 430.965 3.540 50 0 IHAARN COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC)c3)C(=O)O2)c(Br)c1 ZINC000002945540 569426897 /nfs/dbraw/zinc/42/68/97/569426897.db2.gz HERYIZIPAOQPOI-PXNMLYILSA-N 0 0 446.253 3.736 50 0 IHAARN COc1cccc(N2CCN(Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)CC2)c1 ZINC000057338471 569431254 /nfs/dbraw/zinc/43/12/54/569431254.db2.gz QJCTVSHDECSSJC-UHFFFAOYSA-N 0 0 436.581 3.964 50 0 IHAARN Fc1ccc(-n2ncc3c2ncnc3N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000057369584 569432251 /nfs/dbraw/zinc/43/22/51/569432251.db2.gz RQNXIILVCFHACC-UHFFFAOYSA-N 0 0 428.924 3.992 50 0 IHAARN CC(C)CCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21 ZINC000002964435 569432847 /nfs/dbraw/zinc/43/28/47/569432847.db2.gz BIOUCMVHXXZPTI-HXUWFJFHSA-N 0 0 434.565 3.783 50 0 IHAARN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414931 569433829 /nfs/dbraw/zinc/43/38/29/569433829.db2.gz QZAIICYIOBQZSV-JOCHJYFZSA-N 0 0 437.927 3.910 50 0 IHAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415477 569434032 /nfs/dbraw/zinc/43/40/32/569434032.db2.gz DYRKRALXMQZDAL-HSZRJFAPSA-N 0 0 437.540 3.779 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccco1 ZINC000057416947 569434263 /nfs/dbraw/zinc/43/42/63/569434263.db2.gz FCWPAGZFPQVUFA-UHFFFAOYSA-N 0 0 429.498 3.647 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC2CCCC2)c1 ZINC000057426157 569434531 /nfs/dbraw/zinc/43/45/31/569434531.db2.gz SQPYMFASXOWUSQ-UHFFFAOYSA-N 0 0 429.567 3.666 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1 ZINC000057426271 569434573 /nfs/dbraw/zinc/43/45/73/569434573.db2.gz IIQUNLBSIZWZEP-UHFFFAOYSA-N 0 0 431.539 3.631 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)cc1 ZINC000057426926 569434737 /nfs/dbraw/zinc/43/47/37/569434737.db2.gz UMQOITUTCSUPER-UHFFFAOYSA-N 0 0 433.533 3.837 50 0 IHAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)c1 ZINC000057426922 569434738 /nfs/dbraw/zinc/43/47/38/569434738.db2.gz LDFKCRJUCDFAMJ-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN 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ZINC000004106360 569459062 /nfs/dbraw/zinc/45/90/62/569459062.db2.gz QMBXXDQXCWZTRH-LOSJGSFVSA-N 0 0 438.483 3.956 50 0 IHAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032093236 569459731 /nfs/dbraw/zinc/45/97/31/569459731.db2.gz UGRIRRHXHGXIQW-JOCHJYFZSA-N 0 0 427.932 3.952 50 0 IHAARN COc1cccc(-n2cnc3cc(C(=O)Nc4cc(OC)ccc4OC)ccc3c2=O)c1 ZINC000032096314 569459870 /nfs/dbraw/zinc/45/98/70/569459870.db2.gz MSIBIYUYNLYIOX-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 ZINC000032096524 569459911 /nfs/dbraw/zinc/45/99/11/569459911.db2.gz CZOVPHIDHIMUJT-UHFFFAOYSA-N 0 0 435.553 3.656 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1OC ZINC000032096825 569459923 /nfs/dbraw/zinc/45/99/23/569459923.db2.gz AFMTZKXRXNNTDB-GFCCVEGCSA-N 0 0 429.864 3.774 50 0 IHAARN COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc3c2=O)c1 ZINC000032105278 569460207 /nfs/dbraw/zinc/46/02/07/569460207.db2.gz MLHKDUUCHPDAAU-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CCCCc1nnc(SCc2ccccc2CSc2nnc(CCCC)n2N)n1N ZINC000004136551 569460312 /nfs/dbraw/zinc/46/03/12/569460312.db2.gz UHZUGTGNNHRSTE-UHFFFAOYSA-N 0 0 446.650 3.567 50 0 IHAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)NCC1(N2CCOCC2)CCCCC1 ZINC000032195211 569460666 /nfs/dbraw/zinc/46/06/66/569460666.db2.gz BDBAITLYSCTRSJ-UHFFFAOYSA-N 0 0 447.576 3.555 50 0 IHAARN CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000004199134 569460857 /nfs/dbraw/zinc/46/08/57/569460857.db2.gz LHQPWHRGXPYDGT-JQOQJDEVSA-N 0 0 446.525 3.786 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000032412603 569461583 /nfs/dbraw/zinc/46/15/83/569461583.db2.gz NOUYYPMJOSVARY-MRXNPFEDSA-N 0 0 433.541 3.716 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CSc1nnnn1C1CC1 ZINC000032407739 569461591 /nfs/dbraw/zinc/46/15/91/569461591.db2.gz UMVFEGVQTTWKLV-UHFFFAOYSA-N 0 0 445.552 3.611 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000032525104 569461989 /nfs/dbraw/zinc/46/19/89/569461989.db2.gz XJEAQSWSJALCAW-UHFFFAOYSA-N 0 0 442.991 3.809 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008275666 569462544 /nfs/dbraw/zinc/46/25/44/569462544.db2.gz WXTUEZXQTKDHPW-UHFFFAOYSA-N 0 0 425.554 3.705 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c1 ZINC000038487216 569462852 /nfs/dbraw/zinc/46/28/52/569462852.db2.gz MHLHXYHFVDCQSK-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN COc1cccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1OC ZINC000067205836 569464587 /nfs/dbraw/zinc/46/45/87/569464587.db2.gz VENCOUJPDRPWGY-UHFFFAOYSA-N 0 0 437.452 3.502 50 0 IHAARN CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)cc1 ZINC000008443140 569464644 /nfs/dbraw/zinc/46/46/44/569464644.db2.gz MFHWCNQQTBGTMX-ONUIHMKHSA-N 0 0 442.493 3.945 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 ZINC000067236843 569465443 /nfs/dbraw/zinc/46/54/43/569465443.db2.gz XRAQOYGBYTVBQD-UHFFFAOYSA-N 0 0 448.504 3.540 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000067238312 569465569 /nfs/dbraw/zinc/46/55/69/569465569.db2.gz MDXKQHJDSDMRPW-UHFFFAOYSA-N 0 0 430.530 3.581 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC3CCCC3)CC2)c1 ZINC000038655125 569465788 /nfs/dbraw/zinc/46/57/88/569465788.db2.gz NUSNKGLFLPJJJA-UHFFFAOYSA-N 0 0 447.626 3.548 50 0 IHAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)NC1CCCCC1 ZINC000038654166 569465790 /nfs/dbraw/zinc/46/57/90/569465790.db2.gz MTILUYXCKQUUQZ-UHFFFAOYSA-N 0 0 438.553 3.936 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cc(C)cc(C)c2)cc1 ZINC000067246333 569465995 /nfs/dbraw/zinc/46/59/95/569465995.db2.gz KDCMMPPXLJZREP-UHFFFAOYSA-N 0 0 434.496 3.728 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccc(F)cc1F ZINC000067290993 569467615 /nfs/dbraw/zinc/46/76/15/569467615.db2.gz GLGWRHVBLNWBDX-UHFFFAOYSA-N 0 0 447.507 3.510 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c1C ZINC000067300657 569468225 /nfs/dbraw/zinc/46/82/25/569468225.db2.gz GGXBEQRMJRYSEY-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038725762 569468284 /nfs/dbraw/zinc/46/82/84/569468284.db2.gz OZOJOQYQQPPVJS-MSOLQXFVSA-N 0 0 433.335 3.847 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3Cl)c2C)cc1 ZINC000067323301 569468793 /nfs/dbraw/zinc/46/87/93/569468793.db2.gz WOOQFOLVUCHMOG-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)nnn1CC(=O)Nc1ccccc1C ZINC000067323469 569468801 /nfs/dbraw/zinc/46/88/01/569468801.db2.gz GTLANMDFJBEIHD-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(Cl)c1C)CC3 ZINC000067349940 569469031 /nfs/dbraw/zinc/46/90/31/569469031.db2.gz VGVCCICCMKOWNG-UHFFFAOYSA-N 0 0 425.916 3.804 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC3 ZINC000067349884 569469060 /nfs/dbraw/zinc/46/90/60/569469060.db2.gz NPKNZSODLQUXBS-UHFFFAOYSA-N 0 0 441.915 3.504 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc(-c5ccc(F)cc5)o4)CC3)CC2=O)cc1 ZINC000038904683 569469387 /nfs/dbraw/zinc/46/93/87/569469387.db2.gz PDTKEVWWXGMSLW-IBGZPJMESA-N 0 0 448.498 3.943 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000008661441 569469800 /nfs/dbraw/zinc/46/98/00/569469800.db2.gz ITXWCELLFGIICJ-GFCCVEGCSA-N 0 0 429.361 3.550 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc32)c1 ZINC000008662551 569469960 /nfs/dbraw/zinc/46/99/60/569469960.db2.gz RSGQSANLEMMPFO-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000008663675 569469990 /nfs/dbraw/zinc/46/99/90/569469990.db2.gz DCTSZMDMUNMBEL-KRWDZBQOSA-N 0 0 429.885 3.728 50 0 IHAARN Nc1nc(COc2cccc(C(=O)NCc3ccccc3)c2)nc(Nc2ccccc2)n1 ZINC000008706889 569470542 /nfs/dbraw/zinc/47/05/42/569470542.db2.gz QKBZBUCZHUDWAP-UHFFFAOYSA-N 0 0 426.480 3.706 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnnn2C2CCCC2)nc1 ZINC000008710750 569470930 /nfs/dbraw/zinc/47/09/30/569470930.db2.gz ICWAYNNIVSBDSK-UHFFFAOYSA-N 0 0 430.559 3.550 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000008725460 569472150 /nfs/dbraw/zinc/47/21/50/569472150.db2.gz WDXDDUDAKFTWJN-UHFFFAOYSA-N 0 0 443.503 3.858 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3cccnc32)Cc2ccco2)cc1 ZINC000008726331 569472268 /nfs/dbraw/zinc/47/22/68/569472268.db2.gz XTHJDIUGWBOWOD-UHFFFAOYSA-N 0 0 435.505 3.966 50 0 IHAARN CC(C)(C)NC(=O)CN1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000008727621 569472348 /nfs/dbraw/zinc/47/23/48/569472348.db2.gz XTIQQKNQAQCVEI-UHFFFAOYSA-N 0 0 441.576 3.924 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000008735746 569472632 /nfs/dbraw/zinc/47/26/32/569472632.db2.gz LSOBOVNGXYIADX-ZDUSSCGKSA-N 0 0 437.334 3.934 50 0 IHAARN O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N(C1=CCCCC1)C1CC1 ZINC000008747558 569473109 /nfs/dbraw/zinc/47/31/09/569473109.db2.gz SYYVTNJYWSXHLE-UHFFFAOYSA-N 0 0 439.585 3.645 50 0 IHAARN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000008748817 569473245 /nfs/dbraw/zinc/47/32/45/569473245.db2.gz FKAZWDLOLMCKNO-MRXNPFEDSA-N 0 0 434.583 3.989 50 0 IHAARN COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000008749061 569473258 /nfs/dbraw/zinc/47/32/58/569473258.db2.gz WUKWTKFXILQEIR-UHFFFAOYSA-N 0 0 448.592 3.923 50 0 IHAARN CN(CC(=O)N1CCOCC1)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000008750707 569473394 /nfs/dbraw/zinc/47/33/94/569473394.db2.gz HUQHVOJJSCITOX-UHFFFAOYSA-N 0 0 445.548 3.715 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21 ZINC000008752064 569473551 /nfs/dbraw/zinc/47/35/51/569473551.db2.gz OBURMPOKFSCBDA-ORAYPTAESA-N 0 0 440.546 3.803 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000008763080 569474401 /nfs/dbraw/zinc/47/44/01/569474401.db2.gz JDGFGCSEVUGPOD-UHFFFAOYSA-N 0 0 436.464 3.515 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCc2sccc2[C@@H]1C1CC1 ZINC000008778578 569475558 /nfs/dbraw/zinc/47/55/58/569475558.db2.gz VCWKZZRGDRDZIS-QFIPXVFZSA-N 0 0 444.626 3.877 50 0 IHAARN C[C@H](Cn1cc(Br)cn1)C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1 ZINC000008782625 569475848 /nfs/dbraw/zinc/47/58/48/569475848.db2.gz ZJWZNMLDLNVNAO-CYBMUJFWSA-N 0 0 444.362 3.564 50 0 IHAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000008825666 569477469 /nfs/dbraw/zinc/47/74/69/569477469.db2.gz XFWPBMCZXVOMON-SANMLTNESA-N 0 0 442.471 3.818 50 0 IHAARN COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC ZINC000008855941 569479732 /nfs/dbraw/zinc/47/97/32/569479732.db2.gz LYTLHMOMEHPAFD-UHFFFAOYSA-N 0 0 428.492 3.941 50 0 IHAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(OCC)cc3s2)n1 ZINC000008868499 569480371 /nfs/dbraw/zinc/48/03/71/569480371.db2.gz VBJSXRHAACJTKS-UHFFFAOYSA-N 0 0 440.934 3.574 50 0 IHAARN Cc1nnc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)s1 ZINC000008875986 569481081 /nfs/dbraw/zinc/48/10/81/569481081.db2.gz VRHQETOTVHJNQF-UHFFFAOYSA-N 0 0 441.567 3.861 50 0 IHAARN COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000008879163 569481322 /nfs/dbraw/zinc/48/13/22/569481322.db2.gz MPCJPYXJUFUADU-AWEZNQCLSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2)C1CC1 ZINC000039400733 569481611 /nfs/dbraw/zinc/48/16/11/569481611.db2.gz KVQZIFOJPFKQIC-UHFFFAOYSA-N 0 0 449.244 3.642 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000039588675 569481801 /nfs/dbraw/zinc/48/18/01/569481801.db2.gz ZZOHQHBPCMPPJS-VMPITWQZSA-N 0 0 435.860 3.570 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000040001031 569482432 /nfs/dbraw/zinc/48/24/32/569482432.db2.gz CGKMRHMIRAYQGY-UHFFFAOYSA-N 0 0 431.540 3.847 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000039996910 569482451 /nfs/dbraw/zinc/48/24/51/569482451.db2.gz JLGIMJVEBQFUJH-LJQANCHMSA-N 0 0 447.607 3.710 50 0 IHAARN O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000040025098 569482833 /nfs/dbraw/zinc/48/28/33/569482833.db2.gz JQAKHVNDEXGTHV-UHFFFAOYSA-N 0 0 441.535 3.883 50 0 IHAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 ZINC000008883427 569483030 /nfs/dbraw/zinc/48/30/30/569483030.db2.gz WZOIOBPVDHUDSY-UHFFFAOYSA-N 0 0 438.505 3.626 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040037406 569483260 /nfs/dbraw/zinc/48/32/60/569483260.db2.gz BAHAJHIITIQMGG-UHFFFAOYSA-N 0 0 448.972 3.726 50 0 IHAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N[C@@H]1CCCc2ccccc21 ZINC000008896830 569483938 /nfs/dbraw/zinc/48/39/38/569483938.db2.gz GDDIPLMKQRVEIP-OAQYLSRUSA-N 0 0 442.512 3.803 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O ZINC000008900615 569484097 /nfs/dbraw/zinc/48/40/97/569484097.db2.gz GUDYFEDZDGZERR-MHECFPHRSA-N 0 0 439.581 3.820 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cccs1 ZINC000008900852 569484164 /nfs/dbraw/zinc/48/41/64/569484164.db2.gz TYVOWLZFSUTDAR-UHFFFAOYSA-N 0 0 442.562 3.537 50 0 IHAARN Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)c1 ZINC000008902089 569484438 /nfs/dbraw/zinc/48/44/38/569484438.db2.gz FSRSUBOHLIVGAZ-OAHLLOKOSA-N 0 0 438.509 3.813 50 0 IHAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nc(CN2CCCCCC2)cs1 ZINC000040052490 569484542 /nfs/dbraw/zinc/48/45/42/569484542.db2.gz KPISPYCETQIFPE-UHFFFAOYSA-N 0 0 430.618 3.790 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 ZINC000040059818 569484773 /nfs/dbraw/zinc/48/47/73/569484773.db2.gz FIRSXOFRRNCWSO-CQSZACIVSA-N 0 0 441.509 3.911 50 0 IHAARN COCCNc1nn(CN2CCN([C@H](C)c3ccccc3Cl)CC2)c(=S)s1 ZINC000040061182 569484853 /nfs/dbraw/zinc/48/48/53/569484853.db2.gz FZAKTSWDVXRYSX-CQSZACIVSA-N 0 0 428.027 3.722 50 0 IHAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCC(C)C)s1 ZINC000008912477 569485021 /nfs/dbraw/zinc/48/50/21/569485021.db2.gz ABXNHWGCHYXIBX-UHFFFAOYSA-N 0 0 430.617 3.926 50 0 IHAARN C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C)c1cc2ccccc2o1 ZINC000040071977 569485835 /nfs/dbraw/zinc/48/58/35/569485835.db2.gz SVFNMFFRZREGSX-CPJLOUKISA-N 0 0 431.492 3.999 50 0 IHAARN COc1ccc(C(=O)N(C(=O)c2ccc(OC)c(OC)c2)c2cc(C)ccn2)cc1OC ZINC000008916833 569485864 /nfs/dbraw/zinc/48/58/64/569485864.db2.gz OVOKKMTVYBKJJN-UHFFFAOYSA-N 0 0 436.464 3.912 50 0 IHAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917052 569485912 /nfs/dbraw/zinc/48/59/12/569485912.db2.gz WNKOOTZLXXNYMW-UWJYYQICSA-N 0 0 437.517 3.649 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000008917975 569486152 /nfs/dbraw/zinc/48/61/52/569486152.db2.gz SNTJTEVKGUJQCL-OPXMRZJTSA-N 0 0 440.540 3.716 50 0 biogenic IHAARN COCCOc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)ccc1OC ZINC000040082442 569486638 /nfs/dbraw/zinc/48/66/38/569486638.db2.gz MMIRRSIDMUGZOM-UHFFFAOYSA-N 0 0 445.475 3.672 50 0 IHAARN O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000040087126 569486747 /nfs/dbraw/zinc/48/67/47/569486747.db2.gz XNGUVYJVUPRTKR-UHFFFAOYSA-N 0 0 426.318 3.560 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 ZINC000008924529 569487198 /nfs/dbraw/zinc/48/71/98/569487198.db2.gz PDXQDVXKINHOEZ-VWLOTQADSA-N 0 0 433.508 3.850 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 ZINC000040091017 569487424 /nfs/dbraw/zinc/48/74/24/569487424.db2.gz SNHRTULTQIODTD-UHFFFAOYSA-N 0 0 437.525 3.996 50 0 IHAARN CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106126 569488378 /nfs/dbraw/zinc/48/83/78/569488378.db2.gz IVAITIQKTPHRAS-HOCLYGCPSA-N 0 0 429.966 3.596 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCNC4=O)c3)c2C(F)(F)F)cc1 ZINC000040108524 569488536 /nfs/dbraw/zinc/48/85/36/569488536.db2.gz MGGTYMGNHDCMPV-UHFFFAOYSA-N 0 0 429.402 3.981 50 0 IHAARN O=C(CCCOc1cccc2ccccc21)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000040129744 569489828 /nfs/dbraw/zinc/48/98/28/569489828.db2.gz GUUUPKFXUFMKFS-LJQANCHMSA-N 0 0 427.522 3.808 50 0 IHAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCCCC3)nc2)cs1 ZINC000040132348 569490406 /nfs/dbraw/zinc/49/04/06/569490406.db2.gz HPCYDPFOGZGYTM-UHFFFAOYSA-N 0 0 425.514 3.863 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000008964548 569491297 /nfs/dbraw/zinc/49/12/97/569491297.db2.gz HEOVDDZNQBJMHY-ZOJNDGCKSA-N 0 0 435.483 3.644 50 0 biogenic IHAARN COc1cccc(CNC(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008965211 569491323 /nfs/dbraw/zinc/49/13/23/569491323.db2.gz BWYLAEXGVZSLAG-SFHVURJKSA-N 0 0 430.508 3.690 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCCc3nc(-c4cccs4)no3)C2)nc1 ZINC000040145927 569492207 /nfs/dbraw/zinc/49/22/07/569492207.db2.gz NIFFSWNJRTXPDG-INIZCTEOSA-N 0 0 439.541 3.702 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040149832 569492670 /nfs/dbraw/zinc/49/26/70/569492670.db2.gz GQGQQWYRTQYQDH-HXUWFJFHSA-N 0 0 432.904 3.815 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977273 569492914 /nfs/dbraw/zinc/49/29/14/569492914.db2.gz SKODPHYKZHYGRV-UHFFFAOYSA-N 0 0 428.535 3.756 50 0 IHAARN COc1ccccc1CNC(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C ZINC000040151583 569493286 /nfs/dbraw/zinc/49/32/86/569493286.db2.gz XOAXPALXGYBLLQ-UHFFFAOYSA-N 0 0 428.533 3.717 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(C4CCCCC4)n3)CC2)cc1 ZINC000040153520 569493647 /nfs/dbraw/zinc/49/36/47/569493647.db2.gz RWMVHOQVSITULX-UHFFFAOYSA-N 0 0 447.626 3.900 50 0 IHAARN O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)NC(=O)NC1CCCC1 ZINC000040155654 569493926 /nfs/dbraw/zinc/49/39/26/569493926.db2.gz NIZGNEJGROLIMI-UHFFFAOYSA-N 0 0 438.406 3.731 50 0 IHAARN Cc1nccn1C[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040156068 569494001 /nfs/dbraw/zinc/49/40/01/569494001.db2.gz HNQJBUTXSWZZCE-OAHLLOKOSA-N 0 0 436.478 3.515 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000040156143 569494040 /nfs/dbraw/zinc/49/40/40/569494040.db2.gz YSXIRLNBTJVSHI-UHFFFAOYSA-N 0 0 435.454 3.787 50 0 IHAARN Cc1ccc(NC(=O)NCc2ccccc2CO)cc1NC(=O)NCc1ccccc1CO ZINC000040158445 569494559 /nfs/dbraw/zinc/49/45/59/569494559.db2.gz RNQCZZHKVRFXJV-UHFFFAOYSA-N 0 0 448.523 3.623 50 0 IHAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000040158574 569494572 /nfs/dbraw/zinc/49/45/72/569494572.db2.gz RMJQZNOGJCYRLO-KRWDZBQOSA-N 0 0 434.540 3.612 50 0 IHAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000040158575 569494586 /nfs/dbraw/zinc/49/45/86/569494586.db2.gz RMJQZNOGJCYRLO-QGZVFWFLSA-N 0 0 434.540 3.612 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040159357 569494685 /nfs/dbraw/zinc/49/46/85/569494685.db2.gz HDSRHPWOKLPKNA-UHFFFAOYSA-N 0 0 442.793 3.896 50 0 IHAARN CCOc1ccc(CN(C)C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000040160386 569495124 /nfs/dbraw/zinc/49/51/24/569495124.db2.gz KQZDCYWNAQBIQW-FQEVSTJZSA-N 0 0 438.524 3.763 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccccn1 ZINC000008992498 569495361 /nfs/dbraw/zinc/49/53/61/569495361.db2.gz JMCHSTHUEOHSGV-HXUWFJFHSA-N 0 0 443.322 3.913 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4ccccn4)ccc3c2=O)cc1OC ZINC000008993336 569495418 /nfs/dbraw/zinc/49/54/18/569495418.db2.gz XQNMWVIPXBGUFZ-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 biogenic IHAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)-c3nc(C)sc3CC4)ccc21 ZINC000008997824 569495926 /nfs/dbraw/zinc/49/59/26/569495926.db2.gz SVQKFONJJRLGAY-UHFFFAOYSA-N 0 0 439.562 3.927 50 0 IHAARN O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000244955805 569496570 /nfs/dbraw/zinc/49/65/70/569496570.db2.gz GAKXWHNQHDKFIO-UHFFFAOYSA-N 0 0 440.853 3.897 50 0 IHAARN CCc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009015221 569496730 /nfs/dbraw/zinc/49/67/30/569496730.db2.gz GCBIEVLFMAVMCK-UHFFFAOYSA-N 0 0 433.899 3.558 50 0 IHAARN CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009055714 569498946 /nfs/dbraw/zinc/49/89/46/569498946.db2.gz ZYNFCDHXRNCVLL-UHFFFAOYSA-N 0 0 444.443 3.681 50 0 IHAARN CCCCOc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009057696 569499181 /nfs/dbraw/zinc/49/91/81/569499181.db2.gz SBWVCVKHCJBVFR-UHFFFAOYSA-N 0 0 443.507 3.522 50 0 IHAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000009071671 569500182 /nfs/dbraw/zinc/50/01/82/569500182.db2.gz ZNPVUMVFOCZXAP-INIZCTEOSA-N 0 0 435.505 3.860 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)cc21 ZINC000040450317 569506289 /nfs/dbraw/zinc/50/62/89/569506289.db2.gz KXKYUQBDPZRHGN-IUODEOHRSA-N 0 0 429.380 3.605 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C ZINC000245245398 569501116 /nfs/dbraw/zinc/50/11/16/569501116.db2.gz IPQVPYRLCBGEJU-VAMGGRTRSA-N 0 0 432.586 3.623 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)n2C)cc1Cl ZINC000009096183 569501392 /nfs/dbraw/zinc/50/13/92/569501392.db2.gz KCUNAHNEKQOULZ-UHFFFAOYSA-N 0 0 430.917 3.946 50 0 IHAARN C[C@H](Sc1nnc(-c2cc(Br)ccc2O)n1C)C(=O)Nc1nccs1 ZINC000009096085 569501393 /nfs/dbraw/zinc/50/13/93/569501393.db2.gz DKVJIBKSMCPSGN-QMMMGPOBSA-N 0 0 440.348 3.526 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245257867 569501610 /nfs/dbraw/zinc/50/16/10/569501610.db2.gz FPYQCJFUHQMIOO-SPYBWZPUSA-N 0 0 434.558 3.514 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 ZINC000009118352 569503321 /nfs/dbraw/zinc/50/33/21/569503321.db2.gz IJVQJLLJGDMNSA-UHFFFAOYSA-N 0 0 437.565 3.848 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)nc1 ZINC000009126270 569504861 /nfs/dbraw/zinc/50/48/61/569504861.db2.gz WGXWTEJRYZHSCH-UHFFFAOYSA-N 0 0 427.551 3.730 50 0 IHAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NCCc1ccccn1 ZINC000009128044 569505306 /nfs/dbraw/zinc/50/53/06/569505306.db2.gz LFTLKIKSFPYFNY-UHFFFAOYSA-N 0 0 446.938 3.785 50 0 IHAARN CC(=O)CCC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000009130241 569506003 /nfs/dbraw/zinc/50/60/03/569506003.db2.gz ALJFQRVTHHLLEO-UHFFFAOYSA-N 0 0 439.331 3.866 50 0 IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1nn(-c2ccccc2)ccc1=O ZINC000009130442 569506024 /nfs/dbraw/zinc/50/60/24/569506024.db2.gz XELOETZTNXFDEQ-UHFFFAOYSA-N 0 0 439.497 3.768 50 0 IHAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NC3CCCCCC3)cc21 ZINC000040450411 569506379 /nfs/dbraw/zinc/50/63/79/569506379.db2.gz PRWMQLWDZUDXPP-UHFFFAOYSA-N 0 0 441.391 3.749 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c(Br)cc2C[C@@H]1C ZINC000040450711 569506442 /nfs/dbraw/zinc/50/64/42/569506442.db2.gz HWUFOLFINIDJMI-QWHCGFSZSA-N 0 0 449.370 3.887 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000009131648 569506939 /nfs/dbraw/zinc/50/69/39/569506939.db2.gz UKEJXXUJSNMWTK-CQSZACIVSA-N 0 0 425.441 3.932 50 0 IHAARN O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC[C@H]1CCCO1 ZINC000009138308 569507197 /nfs/dbraw/zinc/50/71/97/569507197.db2.gz HGLCSXZDCWAWCW-CQSZACIVSA-N 0 0 438.343 3.533 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3C)nc2N)cc1 ZINC000009152147 569507742 /nfs/dbraw/zinc/50/77/42/569507742.db2.gz JWINWADXHKEWSA-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN CCc1cccc(C)c1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152700 569507801 /nfs/dbraw/zinc/50/78/01/569507801.db2.gz PJEISMBGUJNSQZ-AWEZNQCLSA-N 0 0 432.567 3.793 50 0 IHAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153194 569507998 /nfs/dbraw/zinc/50/79/98/569507998.db2.gz KEQOREFFPFYQQT-UHFFFAOYSA-N 0 0 435.505 3.549 50 0 IHAARN CCOC(=O)c1cnc(SCc2nc(-c3ccc(OC)c(OC)c3)oc2C)nc1N ZINC000009153482 569508117 /nfs/dbraw/zinc/50/81/17/569508117.db2.gz WMMCZXMPUFWWFN-UHFFFAOYSA-N 0 0 430.486 3.508 50 0 IHAARN COc1ccc(Cn2c3c4cc(OC)ccc4n(C)c3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009153797 569508205 /nfs/dbraw/zinc/50/82/05/569508205.db2.gz AVAUQIAPFPABRN-UHFFFAOYSA-N 0 0 441.487 3.710 50 0 IHAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2 ZINC000009156667 569508348 /nfs/dbraw/zinc/50/83/48/569508348.db2.gz BYSFSTSKXCMRED-UHFFFAOYSA-N 0 0 435.446 3.683 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)CNc1ccccc1I ZINC000009157247 569508432 /nfs/dbraw/zinc/50/84/32/569508432.db2.gz RYTZWGBAYZOMCA-UHFFFAOYSA-N 0 0 444.294 3.807 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000009160900 569508690 /nfs/dbraw/zinc/50/86/90/569508690.db2.gz NERAGGFIUPEAKO-UHFFFAOYSA-N 0 0 437.481 3.785 50 0 IHAARN COc1ccccc1C(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O ZINC000009166248 569508874 /nfs/dbraw/zinc/50/88/74/569508874.db2.gz PFZPCYVFPCLQCG-UHFFFAOYSA-N 0 0 436.414 3.652 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000009168872 569509179 /nfs/dbraw/zinc/50/91/79/569509179.db2.gz FTIYMFIPHGBVLT-UHFFFAOYSA-N 0 0 425.460 3.649 50 0 IHAARN CCN1c2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009170828 569509292 /nfs/dbraw/zinc/50/92/92/569509292.db2.gz ZKTFIYPTVOTEHB-UHFFFAOYSA-N 0 0 438.933 3.921 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000009185136 569510049 /nfs/dbraw/zinc/51/00/49/569510049.db2.gz WIDOYZJXGXJVAM-WMZOPIPTSA-N 0 0 446.290 3.599 50 0 IHAARN CC(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009193189 569510847 /nfs/dbraw/zinc/51/08/47/569510847.db2.gz CTLOGBVHJCVBFC-KALPRAJFSA-N 0 0 449.510 3.952 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1cccs1 ZINC000009195167 569511002 /nfs/dbraw/zinc/51/10/02/569511002.db2.gz NQYDSXVBDCTXGY-UHFFFAOYSA-N 0 0 431.930 3.904 50 0 IHAARN CCc1ccc(-c2noc(CSc3nc4cc(S(N)(=O)=O)ccc4n3CC)n2)cc1 ZINC000009200096 569511168 /nfs/dbraw/zinc/51/11/68/569511168.db2.gz VQXFSIVRUPIWKX-UHFFFAOYSA-N 0 0 443.554 3.608 50 0 IHAARN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)OCCCO2 ZINC000009222176 569512649 /nfs/dbraw/zinc/51/26/49/569512649.db2.gz MTPGWXDKXWGWJV-UHFFFAOYSA-N 0 0 440.525 3.634 50 0 IHAARN CN(C(=O)COC(=O)COc1ccccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000009223980 569513082 /nfs/dbraw/zinc/51/30/82/569513082.db2.gz OPCRBFBUDMKNSY-HSZRJFAPSA-N 0 0 447.890 3.898 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CSc1nc2ccccc2[nH]1 ZINC000009224054 569513133 /nfs/dbraw/zinc/51/31/33/569513133.db2.gz LRTACQAYVBKNKQ-UHFFFAOYSA-N 0 0 433.331 3.515 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 ZINC000009226382 569513289 /nfs/dbraw/zinc/51/32/89/569513289.db2.gz UYAJDMJDHNVVCK-HUUCEWRRSA-N 0 0 432.567 3.785 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009226356 569513314 /nfs/dbraw/zinc/51/33/14/569513314.db2.gz CSQKATMIELUADB-UONOGXRCSA-N 0 0 432.567 3.730 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009227397 569513377 /nfs/dbraw/zinc/51/33/77/569513377.db2.gz QIVDBTQDJPGEKO-AWEZNQCLSA-N 0 0 429.369 3.751 50 0 IHAARN CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009227566 569513475 /nfs/dbraw/zinc/51/34/75/569513475.db2.gz PLMBJLGJBGIYRQ-UHFFFAOYSA-N 0 0 449.960 3.517 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009239110 569514459 /nfs/dbraw/zinc/51/44/59/569514459.db2.gz GYVDBKCTCGOIHX-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN CCN(C(=O)COC(=O)c1sc2[nH]c(C)nc(=O)c2c1C)c1cccc2ccccc21 ZINC000009244636 569515073 /nfs/dbraw/zinc/51/50/73/569515073.db2.gz WRPHUSKBGWXYDJ-UHFFFAOYSA-N 0 0 435.505 3.965 50 0 IHAARN COc1cccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000009253884 569516237 /nfs/dbraw/zinc/51/62/37/569516237.db2.gz PSJDFTLNXCUPHY-QHCPKHFHSA-N 0 0 445.519 3.569 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009255091 569516473 /nfs/dbraw/zinc/51/64/73/569516473.db2.gz TWTDEFSJHDXOGH-UHFFFAOYSA-N 0 0 432.404 3.655 50 0 IHAARN CC(=O)Nc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009255051 569516485 /nfs/dbraw/zinc/51/64/85/569516485.db2.gz ONCMKPZWCQGUHQ-UHFFFAOYSA-N 0 0 437.418 3.518 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 ZINC000009255342 569516523 /nfs/dbraw/zinc/51/65/23/569516523.db2.gz HTCIESNKNOWRAU-PXNSSMCTSA-N 0 0 439.541 3.641 50 0 IHAARN COc1ccc(-c2csc3ncnc(OCC(=O)NC(=O)NCc4ccccc4)c23)cc1 ZINC000009255650 569516582 /nfs/dbraw/zinc/51/65/82/569516582.db2.gz URTCKYKJVJNUNI-UHFFFAOYSA-N 0 0 448.504 3.772 50 0 IHAARN CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)c[nH]c21 ZINC000009257539 569516902 /nfs/dbraw/zinc/51/69/02/569516902.db2.gz QETHVGSMJUEASK-QHCPKHFHSA-N 0 0 441.434 3.982 50 0 IHAARN COc1ccc(OCCSc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000009262146 569517025 /nfs/dbraw/zinc/51/70/25/569517025.db2.gz NNEDNHMDZCBDEV-UHFFFAOYSA-N 0 0 426.542 3.793 50 0 IHAARN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009263091 569517081 /nfs/dbraw/zinc/51/70/81/569517081.db2.gz DGOYOTUTJYWWPO-UHFFFAOYSA-N 0 0 440.525 3.953 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000009263342 569517133 /nfs/dbraw/zinc/51/71/33/569517133.db2.gz SPRCXLFEUAZYQX-NWDGAFQWSA-N 0 0 448.549 3.504 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000009268005 569517523 /nfs/dbraw/zinc/51/75/23/569517523.db2.gz OCKBWCBDZYVWEW-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3ccccc3F)c3nc(C)ccc3c2=O)c1 ZINC000009268194 569517554 /nfs/dbraw/zinc/51/75/54/569517554.db2.gz ZMOYUENMVSDGSM-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000009283209 569518877 /nfs/dbraw/zinc/51/88/77/569518877.db2.gz PHCPINRLCXUBKU-NRFANRHFSA-N 0 0 434.540 3.673 50 0 IHAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(F)cc2)cc1OC ZINC000009288879 569519492 /nfs/dbraw/zinc/51/94/92/569519492.db2.gz BCGWOSLQAWUKOD-UHFFFAOYSA-N 0 0 433.443 3.797 50 0 IHAARN COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O ZINC000009293140 569520169 /nfs/dbraw/zinc/52/01/69/569520169.db2.gz OACIGTDLGCEVFJ-HSZRJFAPSA-N 0 0 437.496 3.857 50 0 IHAARN CCSC1=NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N=C1c1ccccc1 ZINC000009300134 569520554 /nfs/dbraw/zinc/52/05/54/569520554.db2.gz NRXTWEAGJONEBW-UHFFFAOYSA-N 0 0 431.558 3.961 50 0 IHAARN COc1ccc2c(CCNC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)c[nH]c2c1 ZINC000009302814 569520889 /nfs/dbraw/zinc/52/08/89/569520889.db2.gz SVHJZIXCPVDZBQ-JAIQZWGSSA-N 0 0 435.505 3.572 50 0 IHAARN Cn1c2c(c(-c3ccc(Cl)cc3)n3c2[C@@H](c2ccccc2F)OCC3)c(=O)n(C)c1=O ZINC000009303083 569520989 /nfs/dbraw/zinc/52/09/89/569520989.db2.gz WXOXCCFFYDWWIY-OAQYLSRUSA-N 0 0 439.874 3.618 50 0 IHAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009303797 569521060 /nfs/dbraw/zinc/52/10/60/569521060.db2.gz FGBVSMHDGOWOSZ-GFCCVEGCSA-N 0 0 446.916 3.896 50 0 IHAARN CCn1c(COc2c(C)cccc2C)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 ZINC000009304049 569521099 /nfs/dbraw/zinc/52/10/99/569521099.db2.gz JVZCECHFBOLYMO-CYBMUJFWSA-N 0 0 432.575 3.773 50 0 IHAARN COc1cc(C)ccc1OCc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C ZINC000009304162 569521100 /nfs/dbraw/zinc/52/11/00/569521100.db2.gz VNAHNLRXQLBSFE-AWEZNQCLSA-N 0 0 437.525 3.801 50 0 IHAARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000009309845 569521717 /nfs/dbraw/zinc/52/17/17/569521717.db2.gz YUYLVTDMEBCBMG-YCAMKHIRSA-N 0 0 438.483 3.793 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009315615 569522162 /nfs/dbraw/zinc/52/21/62/569522162.db2.gz BWQIPJVZIGUCGK-QHCPKHFHSA-N 0 0 427.504 3.793 50 0 IHAARN CCOC(=O)C1=C(COC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1cccs1 ZINC000009315799 569522178 /nfs/dbraw/zinc/52/21/78/569522178.db2.gz SIOGEHCAENITTA-QDJPGJPLSA-N 0 0 444.553 3.679 50 0 IHAARN COc1ccc(N2C[C@@H](c3nc(-c4cccc(OC)c4OC)no3)CC2=O)cc1Cl ZINC000009318498 569522470 /nfs/dbraw/zinc/52/24/70/569522470.db2.gz HDTCEFIMAZPXBF-LBPRGKRZSA-N 0 0 429.860 3.936 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C1C(=O)N(CCc2ccccc2)C(=S)N=C1[O-] ZINC000009318516 569522471 /nfs/dbraw/zinc/52/24/71/569522471.db2.gz HIRTVLPDRPGPHL-NRFANRHFSA-N 0 0 448.548 3.579 50 0 biogenic IHAARN COc1cccc([C@@H](Nc2ncnc3c2cnn3-c2ccc(F)cc2)c2nccn2C)c1 ZINC000009318838 569522504 /nfs/dbraw/zinc/52/25/04/569522504.db2.gz VWVPERJCASCFHT-HXUWFJFHSA-N 0 0 429.459 3.898 50 0 IHAARN COC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1 ZINC000009325320 569522712 /nfs/dbraw/zinc/52/27/12/569522712.db2.gz AEEPBODNCJHTPY-UHFFFAOYSA-N 0 0 449.532 3.815 50 0 IHAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000009335560 569523368 /nfs/dbraw/zinc/52/33/68/569523368.db2.gz OSJSKJDWWXLAPW-UHFFFAOYSA-N 0 0 445.566 3.776 50 0 IHAARN Cn1c2cn(-c3ccc(NC(=O)c4ccco4)cc3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000009348381 569524477 /nfs/dbraw/zinc/52/44/77/569524477.db2.gz GVQFTHPNIQMPRT-UHFFFAOYSA-N 0 0 440.459 3.540 50 0 IHAARN O=C(COc1ccccc1Cl)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000041024779 569524490 /nfs/dbraw/zinc/52/44/90/569524490.db2.gz HQHNPCZDRSFHPA-MRXNPFEDSA-N 0 0 445.928 3.581 50 0 IHAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009349454 569524737 /nfs/dbraw/zinc/52/47/37/569524737.db2.gz IJIQSPAJJGAWKG-KCZVDYSFSA-N 0 0 445.606 3.715 50 0 IHAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000009351395 569524881 /nfs/dbraw/zinc/52/48/81/569524881.db2.gz DMHIXIGVMFTMAR-UHFFFAOYSA-N 0 0 432.929 3.850 50 0 IHAARN Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(Cc1ccccn1)C2 ZINC000069950800 569525273 /nfs/dbraw/zinc/52/52/73/569525273.db2.gz JXAWKWBLGYNPJW-UHFFFAOYSA-N 0 0 444.583 3.838 50 0 IHAARN COC[C@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009356017 569525370 /nfs/dbraw/zinc/52/53/70/569525370.db2.gz DOPQFCBBXFZAOE-IBGZPJMESA-N 0 0 438.549 3.847 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1F)c1ccccc1 ZINC000009356522 569525575 /nfs/dbraw/zinc/52/55/75/569525575.db2.gz BQPMRWWKFQMSCJ-UHFFFAOYSA-N 0 0 428.441 3.650 50 0 IHAARN COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000009364121 569526007 /nfs/dbraw/zinc/52/60/07/569526007.db2.gz YFQGWSYPTHBRDL-UHFFFAOYSA-N 0 0 428.539 3.767 50 0 IHAARN CCOC(=O)CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000009368368 569526629 /nfs/dbraw/zinc/52/66/29/569526629.db2.gz UPZYVNCWSRUZID-UHFFFAOYSA-N 0 0 436.740 3.862 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O ZINC000069980512 569526875 /nfs/dbraw/zinc/52/68/75/569526875.db2.gz VHKNOSQZLCKARV-SHACYNPGSA-N 0 0 449.486 3.808 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O ZINC000069980516 569526944 /nfs/dbraw/zinc/52/69/44/569526944.db2.gz VHKNOSQZLCKARV-BSEYFRJRSA-N 0 0 449.486 3.808 50 0 IHAARN C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc(Cl)c1 ZINC000009377798 569527534 /nfs/dbraw/zinc/52/75/34/569527534.db2.gz ABKLYYYZQSFSLO-ZDUSSCGKSA-N 0 0 439.928 3.732 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1 ZINC000009381034 569528066 /nfs/dbraw/zinc/52/80/66/569528066.db2.gz RMCJDBIAQXJARO-UHFFFAOYSA-N 0 0 449.573 3.601 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)cc1 ZINC000009381305 569528121 /nfs/dbraw/zinc/52/81/21/569528121.db2.gz RNJHFKUBTQRDBW-UHFFFAOYSA-N 0 0 449.488 3.885 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)COc1ccccc1 ZINC000009381349 569528127 /nfs/dbraw/zinc/52/81/27/569528127.db2.gz SLGBRKHPGBCCPP-UHFFFAOYSA-N 0 0 449.488 3.641 50 0 IHAARN O=C(C=Cc1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000009391023 569528808 /nfs/dbraw/zinc/52/88/08/569528808.db2.gz HKZIGJGQUBNPMW-CLFYSBASSA-N 0 0 425.491 3.894 50 0 IHAARN CC[C@@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000009405105 569529787 /nfs/dbraw/zinc/52/97/87/569529787.db2.gz PPIYDLKHTUNVOI-GOSISDBHSA-N 0 0 437.569 3.554 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 ZINC000009409017 569530804 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569550493 /nfs/dbraw/zinc/55/04/93/569550493.db2.gz SOAIINMEKDOCGU-UHFFFAOYSA-N 0 0 439.537 3.864 50 0 IHAARN COc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 ZINC000009594119 569550545 /nfs/dbraw/zinc/55/05/45/569550545.db2.gz WZHAUXNSBAWHSK-QFIPXVFZSA-N 0 0 442.475 3.684 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H]4CCOC(C)(C)C4)cc3)c(=O)oc21 ZINC000070666577 569550627 /nfs/dbraw/zinc/55/06/27/569550627.db2.gz KVWLMVRJIDCWEN-GOSISDBHSA-N 0 0 437.492 3.921 50 0 biogenic IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000009599033 569551127 /nfs/dbraw/zinc/55/11/27/569551127.db2.gz RQEWZIYNYIJGCC-UHFFFAOYSA-N 0 0 447.560 3.879 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 ZINC000009599796 569551311 /nfs/dbraw/zinc/55/13/11/569551311.db2.gz CRMWIAJITHEYAV-UHFFFAOYSA-N 0 0 426.889 3.579 50 0 IHAARN CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)CC1 ZINC000009600097 569551443 /nfs/dbraw/zinc/55/14/43/569551443.db2.gz CEWFYALYCPDSHE-GPANFISMSA-N 0 0 440.635 3.861 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O)Nc1ccc(F)cc1 ZINC000009603273 569551774 /nfs/dbraw/zinc/55/17/74/569551774.db2.gz DNHJRNLGJCDSAK-UHFFFAOYSA-N 0 0 447.397 3.816 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NCc2nc3c(C)cccc3c(=O)[nH]2)cc1 ZINC000009607819 569552051 /nfs/dbraw/zinc/55/20/51/569552051.db2.gz AUVVNMSFGUVQHW-UHFFFAOYSA-N 0 0 442.519 3.825 50 0 IHAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4cccnc4)c(C)n3n2)c1 ZINC000009609199 569552269 /nfs/dbraw/zinc/55/22/69/569552269.db2.gz YIGCZTVZIFXEHM-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000009615899 569553244 /nfs/dbraw/zinc/55/32/44/569553244.db2.gz RIRWHNJBEHTQRP-FQEVSTJZSA-N 0 0 432.611 3.630 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2NC1=O ZINC000009619671 569553400 /nfs/dbraw/zinc/55/34/00/569553400.db2.gz OIGSHKMSQNREAG-MRXNPFEDSA-N 0 0 439.475 3.965 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(Oc2ccccc2)c1 ZINC000009630891 569553693 /nfs/dbraw/zinc/55/36/93/569553693.db2.gz OYNSRSWAJVBMNC-UHFFFAOYSA-N 0 0 438.505 3.752 50 0 IHAARN Cc1cc(C(=O)CCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c(C)s1 ZINC000009633949 569554361 /nfs/dbraw/zinc/55/43/61/569554361.db2.gz JYKFNPRWVFIXIX-UHFFFAOYSA-N 0 0 449.326 3.842 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000009634481 569554471 /nfs/dbraw/zinc/55/44/71/569554471.db2.gz CSHXIUAZYRAKTK-INIZCTEOSA-N 0 0 426.538 3.726 50 0 IHAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cc(C)ccc3OC)c2C)ns1 ZINC000009638989 569555083 /nfs/dbraw/zinc/55/50/83/569555083.db2.gz RPARGIPFMRIKJX-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cc(F)ccc3F)c2C)ns1 ZINC000009638960 569555113 /nfs/dbraw/zinc/55/51/13/569555113.db2.gz DPAWQSSSGHJKTF-UHFFFAOYSA-N 0 0 428.424 3.633 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000009639307 569555146 /nfs/dbraw/zinc/55/51/46/569555146.db2.gz FNBYKFHLCUCSFM-UHFFFAOYSA-N 0 0 445.541 3.758 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000009640093 569555306 /nfs/dbraw/zinc/55/53/06/569555306.db2.gz FNGXYMDMBFRLEG-UHFFFAOYSA-N 0 0 440.525 3.572 50 0 IHAARN CCc1cccc2c(C(=O)CSc3nc4cc(S(N)(=O)=O)ccc4n3CC)c[nH]c21 ZINC000009644422 569556020 /nfs/dbraw/zinc/55/60/20/569556020.db2.gz VVPJLRORCMBXLE-UHFFFAOYSA-N 0 0 442.566 3.722 50 0 IHAARN Cc1cccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)c1 ZINC000009644946 569556053 /nfs/dbraw/zinc/55/60/53/569556053.db2.gz XOIRWWLEVVPMJN-UHFFFAOYSA-N 0 0 434.525 3.755 50 0 IHAARN Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)NC4CC4)n3N)c3ccccc3n2)cc1 ZINC000009646125 569556195 /nfs/dbraw/zinc/55/61/95/569556195.db2.gz QYIBNRWSDCMJHG-HNNXBMFYSA-N 0 0 444.564 3.942 50 0 IHAARN COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1C ZINC000009659205 569556646 /nfs/dbraw/zinc/55/66/46/569556646.db2.gz BVANXRZFKOVZDU-UHFFFAOYSA-N 0 0 441.509 3.911 50 0 IHAARN CCOCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2ccccc2c1=O ZINC000009663476 569557233 /nfs/dbraw/zinc/55/72/33/569557233.db2.gz ZQOWSQSDPXCLOH-UHFFFAOYSA-N 0 0 442.537 3.815 50 0 IHAARN Cc1cc(N2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)nc(C(C)C)n1 ZINC000009666154 569557668 /nfs/dbraw/zinc/55/76/68/569557668.db2.gz TYIFOJXOFKGDED-UHFFFAOYSA-N 0 0 430.556 3.934 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(Nc3ccc(F)cc3)s1)CCC2 ZINC000009666281 569557678 /nfs/dbraw/zinc/55/76/78/569557678.db2.gz BLPZQZVZUCPVKJ-UHFFFAOYSA-N 0 0 449.558 3.801 50 0 IHAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009666776 569557785 /nfs/dbraw/zinc/55/77/85/569557785.db2.gz LHINBDVQWMNPPJ-SFHVURJKSA-N 0 0 434.945 3.538 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009666787 569557810 /nfs/dbraw/zinc/55/78/10/569557810.db2.gz YFPJHKFSQJQVJQ-QHCPKHFHSA-N 0 0 448.544 3.585 50 0 IHAARN CC(=O)N(c1nc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cs1)c1ccccc1 ZINC000009669738 569558126 /nfs/dbraw/zinc/55/81/26/569558126.db2.gz IMYSYFIYWRIZOD-IBGZPJMESA-N 0 0 437.477 3.661 50 0 IHAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009670091 569558245 /nfs/dbraw/zinc/55/82/45/569558245.db2.gz XWKPDDQRSZOHPN-UHFFFAOYSA-N 0 0 426.523 3.599 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCCn1ccc2ccccc21 ZINC000009670374 569558282 /nfs/dbraw/zinc/55/82/82/569558282.db2.gz XVXGRHQWMXNGLI-UHFFFAOYSA-N 0 0 435.549 3.669 50 0 IHAARN CCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)N(CC)CC ZINC000009670842 569558415 /nfs/dbraw/zinc/55/84/15/569558415.db2.gz MULLWGIVQFYURL-UHFFFAOYSA-N 0 0 435.546 3.516 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)Cc1cccs1 ZINC000009672181 569558752 /nfs/dbraw/zinc/55/87/52/569558752.db2.gz LWLDDTSSXMTOMC-UHFFFAOYSA-N 0 0 432.615 3.924 50 0 IHAARN COc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)c1 ZINC000009673718 569558979 /nfs/dbraw/zinc/55/89/79/569558979.db2.gz ULZNMDFHJCVCBL-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN COc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681732 569560269 /nfs/dbraw/zinc/56/02/69/569560269.db2.gz VUMBHOYEJXACAS-INIZCTEOSA-N 0 0 430.508 3.901 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1OC ZINC000009685647 569560732 /nfs/dbraw/zinc/56/07/32/569560732.db2.gz TWNDDRJTAQMFGB-UHFFFAOYSA-N 0 0 442.537 3.534 50 0 IHAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009687990 569560845 /nfs/dbraw/zinc/56/08/45/569560845.db2.gz DZSJMQLDGRWAOC-UHFFFAOYSA-N 0 0 427.921 3.672 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c3ccco3)n2)cc1 ZINC000009704366 569561494 /nfs/dbraw/zinc/56/14/94/569561494.db2.gz XXUQZVSNXYMHFE-UONOGXRCSA-N 0 0 441.509 3.654 50 0 IHAARN CS(=O)(=O)c1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009707671 569561613 /nfs/dbraw/zinc/56/16/13/569561613.db2.gz NPNNMWKWAAANRT-UHFFFAOYSA-N 0 0 433.489 3.911 50 0 IHAARN O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-n1cccc1)Nc1nccs1 ZINC000009707911 569561781 /nfs/dbraw/zinc/56/17/81/569561781.db2.gz WFJSKMTUDBYXMT-UHFFFAOYSA-N 0 0 430.946 3.823 50 0 IHAARN CN(C)CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc2c(cccc2Cl)s1 ZINC000009707958 569561790 /nfs/dbraw/zinc/56/17/90/569561790.db2.gz XXTUBYARBDVMPV-UHFFFAOYSA-N 0 0 437.974 3.562 50 0 IHAARN Cc1cc2nc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2cc1C ZINC000009708060 569561803 /nfs/dbraw/zinc/56/18/03/569561803.db2.gz QGFIXAGCXBNOPM-UHFFFAOYSA-N 0 0 431.583 3.525 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 ZINC000070900185 569562017 /nfs/dbraw/zinc/56/20/17/569562017.db2.gz MNBWTHNVQXSIOE-UHFFFAOYSA-N 0 0 442.972 3.599 50 0 IHAARN CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000070900116 569562024 /nfs/dbraw/zinc/56/20/24/569562024.db2.gz FEXKVZGIFWZTRW-UHFFFAOYSA-N 0 0 438.553 3.666 50 0 IHAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009711795 569562065 /nfs/dbraw/zinc/56/20/65/569562065.db2.gz BHCMXZRCRNILFX-IBGZPJMESA-N 0 0 427.551 3.992 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000009712106 569562114 /nfs/dbraw/zinc/56/21/14/569562114.db2.gz ZFPWIZWLRMFRRI-UHFFFAOYSA-N 0 0 437.503 3.533 50 0 IHAARN COc1cccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1OC ZINC000009712519 569562316 /nfs/dbraw/zinc/56/23/16/569562316.db2.gz DPWYZSIEKPENTK-UHFFFAOYSA-N 0 0 431.444 3.857 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O ZINC000009713868 569562718 /nfs/dbraw/zinc/56/27/18/569562718.db2.gz AJVNPBYSLJBZCK-FPTDNZKUSA-N 0 0 437.525 3.502 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 ZINC000009715104 569562992 /nfs/dbraw/zinc/56/29/92/569562992.db2.gz NFQOTXKUCUEAAQ-UHFFFAOYSA-N 0 0 433.489 3.698 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000009715915 569563129 /nfs/dbraw/zinc/56/31/29/569563129.db2.gz MSRHWDFYXDXWSU-KRWDZBQOSA-N 0 0 441.557 3.552 50 0 IHAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000009721585 569563374 /nfs/dbraw/zinc/56/33/74/569563374.db2.gz KIUGDPSLPBPKNQ-FMQWLBJXSA-N 0 0 447.557 3.596 50 0 IHAARN O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000070926126 569563567 /nfs/dbraw/zinc/56/35/67/569563567.db2.gz ARLNPLRUJZSLQY-UHFFFAOYSA-N 0 0 427.504 3.988 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000009730307 569564375 /nfs/dbraw/zinc/56/43/75/569564375.db2.gz LBYQPXQEXRNGHA-MYYSRTQBSA-N 0 0 448.548 3.599 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Cn1c3ccccc3nc1-c1cscn1)CC2 ZINC000009731322 569564591 /nfs/dbraw/zinc/56/45/91/569564591.db2.gz YXULURSGCSHMOD-UHFFFAOYSA-N 0 0 434.521 3.762 50 0 IHAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000009737512 569564776 /nfs/dbraw/zinc/56/47/76/569564776.db2.gz CVGMUVTUVZRGBJ-JOCHJYFZSA-N 0 0 435.505 3.773 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1 ZINC000009737750 569564789 /nfs/dbraw/zinc/56/47/89/569564789.db2.gz ZIADRGVHCJLFPG-UHFFFAOYSA-N 0 0 447.520 3.966 50 0 IHAARN Cc1cc(NC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)ccc1Br ZINC000009737576 569564805 /nfs/dbraw/zinc/56/48/05/569564805.db2.gz RIBSPIXBMPADLV-UHFFFAOYSA-N 0 0 430.302 3.904 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2-n2cccc2)c1 ZINC000009738475 569564905 /nfs/dbraw/zinc/56/49/05/569564905.db2.gz UBXIQYKJBBXTBK-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009740705 569565127 /nfs/dbraw/zinc/56/51/27/569565127.db2.gz UQQNMSRLMSJVRW-SFHVURJKSA-N 0 0 443.905 3.566 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1cnn(-c2ccccc2)n1 ZINC000009752734 569566178 /nfs/dbraw/zinc/56/61/78/569566178.db2.gz PKAICCFZNNIVRH-UHFFFAOYSA-N 0 0 443.463 3.789 50 0 IHAARN COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(Br)cc2)c1=O ZINC000009761471 569566273 /nfs/dbraw/zinc/56/62/73/569566273.db2.gz KOCGSTQRXWXOCY-UHFFFAOYSA-N 0 0 446.326 3.734 50 0 IHAARN O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000009766252 569566834 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CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000009937197 569573810 /nfs/dbraw/zinc/57/38/10/569573810.db2.gz HOUXBJGCNCMHEK-UHFFFAOYSA-N 0 0 427.504 3.974 50 0 IHAARN Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000009940376 569573893 /nfs/dbraw/zinc/57/38/93/569573893.db2.gz IBVPBNRCVXHZIQ-QZTJIDSGSA-N 0 0 425.337 3.910 50 0 IHAARN COc1cc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)ccc1O ZINC000009941362 569573976 /nfs/dbraw/zinc/57/39/76/569573976.db2.gz HSLQIHPGCRQWND-UHFFFAOYSA-N 0 0 431.242 3.619 50 0 IHAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000009953601 569574751 /nfs/dbraw/zinc/57/47/51/569574751.db2.gz JLGBGZBBFZNIMJ-NRFANRHFSA-N 0 0 429.472 3.784 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)c1 ZINC000009956712 569574754 /nfs/dbraw/zinc/57/47/54/569574754.db2.gz DGOVEKYOSWXSGN-QHCPKHFHSA-N 0 0 440.565 3.654 50 0 IHAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009957435 569574832 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CCc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@@H]3C)c3ccccc3S2(=O)=O)cc1 ZINC000010272833 132335382 /nfs/dbraw/zinc/33/53/82/132335382.db2.gz AKSINISPEJCBRI-KRWDZBQOSA-N 0 0 441.553 3.785 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000010542387 132336058 /nfs/dbraw/zinc/33/60/58/132336058.db2.gz KUINDPZUQXSMDA-UHFFFAOYSA-N 0 0 442.581 3.692 50 0 IHAARN CCN1C[C@H](CN(C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)Oc2ccccc21 ZINC000011550582 132338040 /nfs/dbraw/zinc/33/80/40/132338040.db2.gz QLVVNQSBJAZTKD-FQEVSTJZSA-N 0 0 448.523 3.961 50 0 IHAARN O=C(NCCc1cscn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011661096 132338439 /nfs/dbraw/zinc/33/84/39/132338439.db2.gz HKJFBLRXQGXCRD-GOSISDBHSA-N 0 0 433.581 3.664 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)c(OC)c1 ZINC000011695270 132338639 /nfs/dbraw/zinc/33/86/39/132338639.db2.gz MMILZQLJNPSQEP-UHFFFAOYSA-N 0 0 438.915 3.777 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)ccc1F ZINC000011695360 132338698 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CC(=O)Nc1c2ccccc2n2c1C(=O)N(C1CCCC1)[C@](C)(C(=O)NC1CCCC1)C2 ZINC000021866910 519702573 /nfs/dbraw/zinc/70/25/73/519702573.db2.gz UNRUORNAHLNSBY-VWLOTQADSA-N 0 0 436.556 3.816 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)ccc3F)n2)ccc1C ZINC000016625402 519702994 /nfs/dbraw/zinc/70/29/94/519702994.db2.gz XWUSXVQBWCYJTO-ZDUSSCGKSA-N 0 0 426.423 3.655 50 0 IHAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1 ZINC000021662925 519708051 /nfs/dbraw/zinc/70/80/51/519708051.db2.gz OCKMMFXHGASGSX-UHFFFAOYSA-N 0 0 446.551 3.621 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 ZINC000012797355 519708185 /nfs/dbraw/zinc/70/81/85/519708185.db2.gz NDRZTHIPAHPKFQ-IBGZPJMESA-N 0 0 448.548 3.798 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 ZINC000012654430 519730011 /nfs/dbraw/zinc/73/00/11/519730011.db2.gz ICDIEOMVONFSLM-UHFFFAOYSA-N 0 0 428.514 3.603 50 0 IHAARN CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 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CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000035948912 519883248 /nfs/dbraw/zinc/88/32/48/519883248.db2.gz JDPKGIHNKUSEOB-IBGZPJMESA-N 0 0 446.548 3.633 50 0 IHAARN CCCNC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035992364 519883614 /nfs/dbraw/zinc/88/36/14/519883614.db2.gz VKSAPEKZHFLZJX-UHFFFAOYSA-N 0 0 439.951 3.588 50 0 IHAARN CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCc3ccccc3C2)c1 ZINC000012451448 519939184 /nfs/dbraw/zinc/93/91/84/519939184.db2.gz HNEMQLSRTAJKKZ-UHFFFAOYSA-N 0 0 435.568 3.938 50 0 IHAARN CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 ZINC000012787015 520051463 /nfs/dbraw/zinc/05/14/63/520051463.db2.gz GARVFCFOJXBEDV-UHFFFAOYSA-N 0 0 430.555 3.879 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000012791722 520367420 /nfs/dbraw/zinc/36/74/20/520367420.db2.gz PWVKFQQJYARILM-UHFFFAOYSA-N 0 0 449.408 3.834 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2csc3nc(C)cn23)CC1 ZINC000012432014 520462635 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3.993 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc21 ZINC000017286941 520526245 /nfs/dbraw/zinc/52/62/45/520526245.db2.gz JCMDRKQSTGRLRE-UHFFFAOYSA-N 0 0 436.599 3.905 50 0 IHAARN CCCCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012933479 520549693 /nfs/dbraw/zinc/54/96/93/520549693.db2.gz QNWYIWWZYGXFMT-MRXNPFEDSA-N 0 0 429.011 3.518 50 0 IHAARN CCOC(=O)C1CCN(c2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020849140 520586467 /nfs/dbraw/zinc/58/64/67/520586467.db2.gz PACZVOSFBMRZGY-UHFFFAOYSA-N 0 0 439.537 3.551 50 0 IHAARN CCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000012855821 520615127 /nfs/dbraw/zinc/61/51/27/520615127.db2.gz QFCQBPGRFUZFAP-UHFFFAOYSA-N 0 0 436.581 3.637 50 0 IHAARN CCOc1cc(Br)c(CN2C(=O)c3ccccc3S2(=O)=O)cc1OCC ZINC000013113239 520648416 /nfs/dbraw/zinc/64/84/16/520648416.db2.gz HWRZLCYJMGQJGW-UHFFFAOYSA-N 0 0 440.315 3.591 50 0 IHAARN CCOc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1OC(F)F ZINC000021600828 520670200 /nfs/dbraw/zinc/67/02/00/520670200.db2.gz QCUUJUKLTZFYFW-OAHLLOKOSA-N 0 0 434.439 3.848 50 0 IHAARN CCOC(=O)CCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000020860386 520684868 /nfs/dbraw/zinc/68/48/68/520684868.db2.gz SRXYXRGSLJQMFZ-HSZRJFAPSA-N 0 0 439.487 3.926 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCCc3cc(C)ccc32)c1 ZINC000013056284 520792887 /nfs/dbraw/zinc/79/28/87/520792887.db2.gz JLTSHCLDDZUIMI-UHFFFAOYSA-N 0 0 429.586 3.725 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000012890511 520793977 /nfs/dbraw/zinc/79/39/77/520793977.db2.gz CLUUGLOIZRIZTI-UHFFFAOYSA-N 0 0 427.570 3.838 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(F)c1)n2CC ZINC000014427660 520813781 /nfs/dbraw/zinc/81/37/81/520813781.db2.gz FCFWCYKRVDQDPW-UHFFFAOYSA-N 0 0 446.548 3.797 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 ZINC000012866277 520819603 /nfs/dbraw/zinc/81/96/03/520819603.db2.gz PMJMDRBPVNQEOD-UHFFFAOYSA-N 0 0 426.542 3.772 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc(C)c1 ZINC000020932103 520858007 /nfs/dbraw/zinc/85/80/07/520858007.db2.gz BXQXZICTPKUKAL-HXUWFJFHSA-N 0 0 426.513 3.503 50 0 IHAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 ZINC000021726441 520895028 /nfs/dbraw/zinc/89/50/28/520895028.db2.gz RGPAKWXPDHTUJB-SFHVURJKSA-N 0 0 431.500 3.580 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)n1 ZINC000022282555 520911285 /nfs/dbraw/zinc/91/12/85/520911285.db2.gz RBYCCXYIVDCOIC-PXAZEXFGSA-N 0 0 437.949 3.685 50 0 IHAARN CCOc1ccc(C2=N/C(=C/c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc1OCC ZINC000022751665 520929494 /nfs/dbraw/zinc/92/94/94/520929494.db2.gz QJRAJCTXZUOMTK-MHWRWJLKSA-N 0 0 425.437 3.608 50 0 IHAARN CCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC ZINC000021908299 520964406 /nfs/dbraw/zinc/96/44/06/520964406.db2.gz FRBWOUNSXACGHA-UHFFFAOYSA-N 0 0 427.469 3.753 50 0 IHAARN CCOc1ccc(CNC(=O)CCCn2nc(CC)n3c4cc(C)oc4cc3c2=O)cc1 ZINC000020862542 520983422 /nfs/dbraw/zinc/98/34/22/520983422.db2.gz ZZFLPBLYNUZDDS-UHFFFAOYSA-N 0 0 436.512 3.608 50 0 IHAARN CC1CCN(C(=O)[C@@H]2c3ccccc3CCN2CC(=O)NCc2ccccc2Cl)CC1 ZINC000033312882 520985522 /nfs/dbraw/zinc/98/55/22/520985522.db2.gz QBXGKJDHQXBAPV-DEOSSOPVSA-N 0 0 439.987 3.814 50 0 IHAARN CCOc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)cc1 ZINC000020947142 520985948 /nfs/dbraw/zinc/98/59/48/520985948.db2.gz SAGCXXFJDYUTIU-UHFFFAOYSA-N 0 0 430.508 3.519 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC000020562820 521033616 /nfs/dbraw/zinc/03/36/16/521033616.db2.gz ZBPFKDCGENMLIC-WOJBJXKFSA-N 0 0 445.629 3.957 50 0 IHAARN CC1CCN(c2ccc(-c3noc(C(=O)NCCc4nc5ccccc5[nH]4)n3)cc2)CC1 ZINC000021707385 521038498 /nfs/dbraw/zinc/03/84/98/521038498.db2.gz JJGMBSYRGRDOPS-UHFFFAOYSA-N 0 0 430.512 3.822 50 0 IHAARN CCOc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1S(=O)(=O)N(C)C ZINC000012850048 521073604 /nfs/dbraw/zinc/07/36/04/521073604.db2.gz XGKWGPUGMYFIPL-UHFFFAOYSA-N 0 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ZINC000035992544 521205446 /nfs/dbraw/zinc/20/54/46/521205446.db2.gz SKSYPTNCCINGNK-UHFFFAOYSA-N 0 0 448.567 3.542 50 0 IHAARN CCOc1ccc([C@@H](CNC(=O)[C@H](CC)c2ccccc2)N2CCOCC2)cc1OC ZINC000022785527 521229398 /nfs/dbraw/zinc/22/93/98/521229398.db2.gz OWOBSSLZEZCBMU-FGZHOGPDSA-N 0 0 426.557 3.777 50 0 IHAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc1 ZINC000015670312 521241949 /nfs/dbraw/zinc/24/19/49/521241949.db2.gz RHZNOFWPDQFRDR-IBGZPJMESA-N 0 0 426.480 3.906 50 0 IHAARN CCOc1ccc([C@H](CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530582 521262147 /nfs/dbraw/zinc/26/21/47/521262147.db2.gz JDQVKKHQHLAEHQ-QFIPXVFZSA-N 0 0 445.519 3.893 50 0 IHAARN CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000012767522 521296552 /nfs/dbraw/zinc/29/65/52/521296552.db2.gz JLVWMLYILBNHBX-UHFFFAOYSA-N 0 0 447.376 3.688 50 0 IHAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4OC)CC3)nc(C)c2c1 ZINC000012155052 521301784 /nfs/dbraw/zinc/30/17/84/521301784.db2.gz RNPBXKJONFCYCJ-UHFFFAOYSA-N 0 0 434.540 3.878 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)sc2n1 ZINC000021165748 521345423 /nfs/dbraw/zinc/34/54/23/521345423.db2.gz FBHDJZUHGMBTOY-UHFFFAOYSA-N 0 0 425.558 3.575 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cn3cccc(C)c3n2)C1 ZINC000015063409 521355048 /nfs/dbraw/zinc/35/50/48/521355048.db2.gz JLLLNCPWHGRXBS-VWLOTQADSA-N 0 0 435.524 3.680 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000036003887 521362831 /nfs/dbraw/zinc/36/28/31/521362831.db2.gz BTYPTTZYXWRESX-KRWDZBQOSA-N 0 0 434.558 3.726 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCc2ccccn2)C(=O)CC(C)C)c1C ZINC000036004293 521364522 /nfs/dbraw/zinc/36/45/22/521364522.db2.gz IBFXCMICFVEEHW-SFHVURJKSA-N 0 0 427.545 3.892 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCCOC)C(=O)c2ccc(OC)cc2)c1C ZINC000036003556 521364737 /nfs/dbraw/zinc/36/47/37/521364737.db2.gz QXGSTKURNIZOSW-KRWDZBQOSA-N 0 0 444.528 3.567 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3cccc(F)c3)n2c2ccsc2c1=O ZINC000035532004 521379275 /nfs/dbraw/zinc/37/92/75/521379275.db2.gz NJNJQYHPWMYCIH-UHFFFAOYSA-N 0 0 431.518 3.776 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3ccccc3F)n2c2ccsc2c1=O ZINC000035531958 521379515 /nfs/dbraw/zinc/37/95/15/521379515.db2.gz FHKINQIUQYDEAQ-UHFFFAOYSA-N 0 0 431.518 3.776 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCS(=O)(=O)C2 ZINC000012747516 521411263 /nfs/dbraw/zinc/41/12/63/521411263.db2.gz BRDQJAPAGSMEMU-UHFFFAOYSA-N 0 0 448.349 3.955 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000022663022 521429983 /nfs/dbraw/zinc/42/99/83/521429983.db2.gz JIUWRYBVBODAMB-UHFFFAOYSA-N 0 0 433.574 3.692 50 0 IHAARN CCN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1)S(C)(=O)=O ZINC000016647502 521484735 /nfs/dbraw/zinc/48/47/35/521484735.db2.gz DQAYMRZFIBLBNG-UHFFFAOYSA-N 0 0 443.569 3.741 50 0 IHAARN CCOc1ccccc1CNC(=O)CN1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403819 521493514 /nfs/dbraw/zinc/49/35/14/521493514.db2.gz JRXZITJFXJSLRH-UHFFFAOYSA-N 0 0 430.552 3.985 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)cc1 ZINC000033174910 521501950 /nfs/dbraw/zinc/50/19/50/521501950.db2.gz BCYYJSRMHIOPIM-UHFFFAOYSA-N 0 0 448.523 3.592 50 0 IHAARN CCCN(C)c1cc(COC)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000036061643 521514973 /nfs/dbraw/zinc/51/49/73/521514973.db2.gz QDOWXBFVRSGBGS-FQEVSTJZSA-N 0 0 444.601 3.670 50 0 IHAARN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907609 521522519 /nfs/dbraw/zinc/52/25/19/521522519.db2.gz ONJBDYDRDLDSDI-NRFANRHFSA-N 0 0 433.508 3.533 50 0 IHAARN CCN1C(=O)C[C@](CC(=O)N(C)Cc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O ZINC000012164727 521524384 /nfs/dbraw/zinc/52/43/84/521524384.db2.gz TWTKUKVDTCAUGX-AREMUKBSSA-N 0 0 445.519 3.715 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000020237113 521524769 /nfs/dbraw/zinc/52/47/69/521524769.db2.gz VYFGNYVFIUBZSS-UHFFFAOYSA-N 0 0 427.526 3.595 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccc(Br)s2)cc1 ZINC000012805489 521525711 /nfs/dbraw/zinc/52/57/11/521525711.db2.gz FCECLGQOQXDGNE-UHFFFAOYSA-N 0 0 432.361 3.898 50 0 IHAARN CCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000016613292 521533226 /nfs/dbraw/zinc/53/32/26/521533226.db2.gz AOETVLNUEZKTBO-UHFFFAOYSA-N 0 0 435.568 3.978 50 0 IHAARN CCCN(CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1nnc(-c2ccco2)o1 ZINC000012567422 521552274 /nfs/dbraw/zinc/55/22/74/521552274.db2.gz LYJACJBSPFWWFS-UHFFFAOYSA-N 0 0 434.500 3.983 50 0 IHAARN CCOC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc1N ZINC000012517139 521573616 /nfs/dbraw/zinc/57/36/16/521573616.db2.gz OVQPXMLZCOFUBC-GFCCVEGCSA-N 0 0 430.530 3.584 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)c1N ZINC000021115379 521579430 /nfs/dbraw/zinc/57/94/30/521579430.db2.gz QZLNANCBHMMQQT-UHFFFAOYSA-N 0 0 443.301 3.954 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)c1N ZINC000021115295 521579453 /nfs/dbraw/zinc/57/94/53/521579453.db2.gz RFICKYYATZXGGU-UHFFFAOYSA-N 0 0 447.264 3.785 50 0 IHAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012194497 521595418 /nfs/dbraw/zinc/59/54/18/521595418.db2.gz OZFPLJSNSXBYHU-MRXNPFEDSA-N 0 0 432.952 3.548 50 0 IHAARN CCCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1=O ZINC000012921104 521638666 /nfs/dbraw/zinc/63/86/66/521638666.db2.gz LYPKXWKBPLVWGE-UHFFFAOYSA-N 0 0 449.338 3.617 50 0 IHAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc21 ZINC000012180666 521664714 /nfs/dbraw/zinc/66/47/14/521664714.db2.gz RTHFJGSKZRULFB-UHFFFAOYSA-N 0 0 428.963 3.552 50 0 IHAARN CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000012180477 521664722 /nfs/dbraw/zinc/66/47/22/521664722.db2.gz XLRCMJVVDJXOGX-UHFFFAOYSA-N 0 0 436.599 3.887 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000035769894 521686584 /nfs/dbraw/zinc/68/65/84/521686584.db2.gz AZLSTFGUBSIJID-UHFFFAOYSA-N 0 0 443.477 3.579 50 0 IHAARN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000022285993 521689744 /nfs/dbraw/zinc/68/97/44/521689744.db2.gz XXHDOEUBXVIQMY-UHFFFAOYSA-N 0 0 447.516 3.740 50 0 IHAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)NC(C)(C)C)cc2)C(C(=O)OCCOC)=C1C ZINC000035711550 521700680 /nfs/dbraw/zinc/70/06/80/521700680.db2.gz JWARLIAFTSKFQK-IBGZPJMESA-N 0 0 446.548 3.547 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928206 521703341 /nfs/dbraw/zinc/70/33/41/521703341.db2.gz ZLWKNLVYAMCPRJ-VXKWHMMOSA-N 0 0 438.524 3.682 50 0 IHAARN CCOCCCN1C(=O)c2cc(-c3ccccc3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021853887 521705910 /nfs/dbraw/zinc/70/59/10/521705910.db2.gz FWDVMSUBFQKZJT-AREMUKBSSA-N 0 0 446.551 3.508 50 0 IHAARN CCOCCCN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000035405729 521706100 /nfs/dbraw/zinc/70/61/00/521706100.db2.gz IVFFHUBJGHZQEY-HSZRJFAPSA-N 0 0 443.544 3.799 50 0 IHAARN CCNC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(C)C ZINC000035317467 521739151 /nfs/dbraw/zinc/73/91/51/521739151.db2.gz WYBBALZZBRLFIB-UHFFFAOYSA-N 0 0 445.560 3.616 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc2c1CC[C@H](C)C2 ZINC000019643960 521772719 /nfs/dbraw/zinc/77/27/19/521772719.db2.gz PCKFIIKIZCYNNC-AWEZNQCLSA-N 0 0 445.610 3.884 50 0 IHAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2ccc(OC)cc21 ZINC000035535227 521881174 /nfs/dbraw/zinc/88/11/74/521881174.db2.gz RDOVASIBGVMIEF-UHFFFAOYSA-N 0 0 441.487 3.837 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000035396716 521882572 /nfs/dbraw/zinc/88/25/72/521882572.db2.gz PEGIMGLJQCLTLF-UHFFFAOYSA-N 0 0 438.549 3.807 50 0 IHAARN COc1c2c(cc([C@@H]3CC(=O)Nc4c3ncn4-c3cccc(Cl)c3)c1OC)OCO2 ZINC000035324420 521884050 /nfs/dbraw/zinc/88/40/50/521884050.db2.gz LMKBZHRNLRTSBZ-ZDUSSCGKSA-N 0 0 427.844 3.746 50 0 IHAARN COC(=O)c1cc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc(C(=O)OC)c1 ZINC000018230511 521891768 /nfs/dbraw/zinc/89/17/68/521891768.db2.gz POQGFWDPRICIJD-UHFFFAOYSA-N 0 0 440.477 3.856 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000014594940 521900357 /nfs/dbraw/zinc/90/03/57/521900357.db2.gz JJDZLEWFVPGRPM-UHFFFAOYSA-N 0 0 443.887 3.949 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000012488919 521981082 /nfs/dbraw/zinc/98/10/82/521981082.db2.gz PAWAXVPNYRBFLM-UHFFFAOYSA-N 0 0 445.566 3.756 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000036026585 521988583 /nfs/dbraw/zinc/98/85/83/521988583.db2.gz HSUDBJXFJIYAAW-HYBUGGRVSA-N 0 0 449.595 3.717 50 0 IHAARN CN(C)[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)c1ccccc1Cl ZINC000012730703 522011897 /nfs/dbraw/zinc/01/18/97/522011897.db2.gz QBCNLKLFELCTDR-HNNXBMFYSA-N 0 0 436.006 3.758 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)NCC2(c3ccccc3)CCC2)cc1OC ZINC000022195271 522023505 /nfs/dbraw/zinc/02/35/05/522023505.db2.gz BMFJGGBBODXXRW-UHFFFAOYSA-N 0 0 440.359 3.867 50 0 IHAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 ZINC000012934079 522035677 /nfs/dbraw/zinc/03/56/77/522035677.db2.gz BJQCOBLVIOOSFM-ZDUSSCGKSA-N 0 0 449.536 3.522 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000033040277 522043592 /nfs/dbraw/zinc/04/35/92/522043592.db2.gz OVKUMFSBRGBRNM-ZWKOTPCHSA-N 0 0 447.576 3.673 50 0 IHAARN COC(=O)c1ccc(Cn2nc(-c3ccccc3)c3sc(N4CCCC4)nc3c2=O)cc1 ZINC000035590645 522064101 /nfs/dbraw/zinc/06/41/01/522064101.db2.gz FZCPAGGKABPJHR-UHFFFAOYSA-N 0 0 446.532 3.955 50 0 IHAARN COCCn1c(SCCC(=O)Nc2ccccc2F)nc2sc(C)c(C)c2c1=O ZINC000012928258 522073205 /nfs/dbraw/zinc/07/32/05/522073205.db2.gz NKABVCZQKSHRRW-UHFFFAOYSA-N 0 0 435.546 3.981 50 0 IHAARN COCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O ZINC000023632989 522074100 /nfs/dbraw/zinc/07/41/00/522074100.db2.gz PYEZQSDZZUELSM-CYBMUJFWSA-N 0 0 442.566 3.811 50 0 IHAARN COc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl ZINC000012568902 522082902 /nfs/dbraw/zinc/08/29/02/522082902.db2.gz ZQXJXPWQPUWSNI-FQEVSTJZSA-N 0 0 444.959 3.864 50 0 IHAARN COc1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC ZINC000001073073 522086247 /nfs/dbraw/zinc/08/62/47/522086247.db2.gz LWHJLZRUWCDIQX-UHFFFAOYSA-N 0 0 425.312 3.982 50 0 IHAARN COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(Cl)c1OC(C)C ZINC000012928744 522156404 /nfs/dbraw/zinc/15/64/04/522156404.db2.gz FVTVRKNGMVZPDS-UHFFFAOYSA-N 0 0 438.933 3.928 50 0 IHAARN CC[C@@H](C)NC(=O)CCc1c(C)n(Cc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000021807376 522157321 /nfs/dbraw/zinc/15/73/21/522157321.db2.gz JLWUYIYUFPAWIA-GOSISDBHSA-N 0 0 443.551 3.762 50 0 IHAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000012756308 522164638 /nfs/dbraw/zinc/16/46/38/522164638.db2.gz HUDYHIZQZRBZLY-VXGBXAGGSA-N 0 0 425.938 3.675 50 0 IHAARN COc1cc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc2c1OCO2 ZINC000022077952 522356731 /nfs/dbraw/zinc/35/67/31/522356731.db2.gz ZZAOGCFCKJFTGB-HSZRJFAPSA-N 0 0 443.507 3.929 50 0 IHAARN CC[C@@H](C)[C@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036019805 522404262 /nfs/dbraw/zinc/40/42/62/522404262.db2.gz PUDVEDBQWXXNSW-VGOFRKELSA-N 0 0 441.522 3.944 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000012415190 522431766 /nfs/dbraw/zinc/43/17/66/522431766.db2.gz OWKJWMILGAVFNI-UHFFFAOYSA-N 0 0 446.550 3.564 50 0 IHAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)CC)CC2)n1)CC[C@H](C)C3 ZINC000035867885 522441566 /nfs/dbraw/zinc/44/15/66/522441566.db2.gz PXUYICYPGZPOJC-LSDHHAIUSA-N 0 0 436.647 3.801 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035990249 522468140 /nfs/dbraw/zinc/46/81/40/522468140.db2.gz VDFJIDATTFKQIE-UHFFFAOYSA-N 0 0 440.551 3.957 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000035990252 522469418 /nfs/dbraw/zinc/46/94/18/522469418.db2.gz BVLPHFROWYDQBM-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN COc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC(F)F ZINC000012825660 522498697 /nfs/dbraw/zinc/49/86/97/522498697.db2.gz LNGXTIJVXHWXDL-UHFFFAOYSA-N 0 0 449.859 3.557 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012853024 522511835 /nfs/dbraw/zinc/51/18/35/522511835.db2.gz BVWPNEZTXBUPJZ-UHFFFAOYSA-N 0 0 435.702 3.501 50 0 IHAARN COc1cc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(OC)cc1Cl ZINC000021196969 522706262 /nfs/dbraw/zinc/70/62/62/522706262.db2.gz PADOWBGNZPIPRK-JKIFEVAISA-N 0 0 434.920 3.662 50 0 IHAARN CNc1snc(C)c1C(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000021761901 522730272 /nfs/dbraw/zinc/73/02/72/522730272.db2.gz XQJWDDWDODRYCH-OAQYLSRUSA-N 0 0 449.960 3.800 50 0 IHAARN CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 ZINC000012767830 522783471 /nfs/dbraw/zinc/78/34/71/522783471.db2.gz GEFSZRXQUJHDKX-GOSISDBHSA-N 0 0 429.314 3.979 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3CCCc4ccccc43)cs2)c1 ZINC000009659223 522858368 /nfs/dbraw/zinc/85/83/68/522858368.db2.gz SINALDHNXSCYJH-UHFFFAOYSA-N 0 0 437.521 3.935 50 0 IHAARN COC(=O)C1=C(CN2CCC[C@@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012919076 522890259 /nfs/dbraw/zinc/89/02/59/522890259.db2.gz APGKZKXGMIMOIY-DNVCBOLYSA-N 0 0 437.462 3.617 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(OC)cc1Cl ZINC000001111966 522894457 /nfs/dbraw/zinc/89/44/57/522894457.db2.gz KQTNPBWJAORLSZ-UHFFFAOYSA-N 0 0 445.368 3.830 50 0 IHAARN COCc1c(C(=O)NCCc2ccccn2)c(=O)cc(C)n1CCc1ccccc1Cl ZINC000012243225 522898415 /nfs/dbraw/zinc/89/84/15/522898415.db2.gz FHXZDPLRMJTIRP-UHFFFAOYSA-N 0 0 439.943 3.567 50 0 IHAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000012662036 522903316 /nfs/dbraw/zinc/90/33/16/522903316.db2.gz CSOYJGOZFRGVTF-LJQANCHMSA-N 0 0 443.521 3.689 50 0 biogenic IHAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000020895552 522932329 /nfs/dbraw/zinc/93/23/29/522932329.db2.gz ALRGFKZVXNYJSK-SFHVURJKSA-N 0 0 447.900 3.569 50 0 IHAARN COc1cc([C@H](CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000012473967 522950057 /nfs/dbraw/zinc/95/00/57/522950057.db2.gz DZIWVUSUJHPTIN-IBGZPJMESA-N 0 0 447.491 3.833 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000012320284 522959109 /nfs/dbraw/zinc/95/91/09/522959109.db2.gz QZKOHJQWOSXQLG-MRXNPFEDSA-N 0 0 433.474 3.832 50 0 IHAARN CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O ZINC000011982256 523004725 /nfs/dbraw/zinc/00/47/25/523004725.db2.gz MLUJYWAWXAYCNH-HFZDXXHNSA-N 0 0 433.552 3.768 50 0 IHAARN CC[C@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012190098 523006328 /nfs/dbraw/zinc/00/63/28/523006328.db2.gz LXZOSDZAHHXIIS-SQJMNOBHSA-N 0 0 437.515 3.599 50 0 IHAARN COc1cc2oc(=O)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1OC ZINC000012901244 523072267 /nfs/dbraw/zinc/07/22/67/523072267.db2.gz KELWFJIPKIUZKG-AWEZNQCLSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN COc1cc2oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1OC ZINC000012901250 523073069 /nfs/dbraw/zinc/07/30/69/523073069.db2.gz KELWFJIPKIUZKG-CQSZACIVSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN CCn1c(-c2nnc(SCC(=O)NCc3nc4ccccc4[nH]3)o2)cc2ccccc21 ZINC000033317943 523088672 /nfs/dbraw/zinc/08/86/72/523088672.db2.gz OYRFLUQEOVEHRW-UHFFFAOYSA-N 0 0 432.509 3.996 50 0 IHAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)Cc3ccco3)no2)cc1 ZINC000036001353 523093287 /nfs/dbraw/zinc/09/32/87/523093287.db2.gz YFNQCHDSWAMEHM-UHFFFAOYSA-N 0 0 449.463 3.885 50 0 IHAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)NCc1ccccc1Cl ZINC000022628015 523103596 /nfs/dbraw/zinc/10/35/96/523103596.db2.gz YIBDKIFOXPXKRH-UHFFFAOYSA-N 0 0 426.929 3.960 50 0 IHAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc(CNC(C)=O)cc3)ccc2OC)cc1 ZINC000012548555 523113321 /nfs/dbraw/zinc/11/33/21/523113321.db2.gz FIRLKJVNVHQADY-UHFFFAOYSA-N 0 0 440.521 3.808 50 0 IHAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1OC ZINC000020724253 523122975 /nfs/dbraw/zinc/12/29/75/523122975.db2.gz QFLHRTJCPKEDDZ-GOSISDBHSA-N 0 0 434.452 3.941 50 0 IHAARN CC[C@@H](c1nnc(Sc2cc(C)nc3ccccc32)n1CCN1CCOCC1)N(C)C ZINC000012522948 523129840 /nfs/dbraw/zinc/12/98/40/523129840.db2.gz SIAHGKCOZLROFN-FQEVSTJZSA-N 0 0 440.617 3.631 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)COc4ccccc4F)CC3)n2)cc1 ZINC000021687781 523165417 /nfs/dbraw/zinc/16/54/17/523165417.db2.gz KSFAOHYRKSVRNT-UHFFFAOYSA-N 0 0 441.528 3.681 50 0 IHAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000012556247 523176174 /nfs/dbraw/zinc/17/61/74/523176174.db2.gz HOZYZPLYBSFUJI-UHFFFAOYSA-N 0 0 437.569 3.582 50 0 IHAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(NC2CCC(NC(=O)C3CC3)CC2)n1 ZINC000036001978 523215340 /nfs/dbraw/zinc/21/53/40/523215340.db2.gz UQFHMTHPLLPEDE-UHFFFAOYSA-N 0 0 434.544 3.520 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000012768464 523232259 /nfs/dbraw/zinc/23/22/59/523232259.db2.gz BNZHRMZJIYQMNF-UHFFFAOYSA-N 0 0 444.944 3.917 50 0 IHAARN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1cccc(F)c1 ZINC000035843569 523236065 /nfs/dbraw/zinc/23/60/65/523236065.db2.gz HPKWMWBFKJXPOP-HSZRJFAPSA-N 0 0 432.561 3.947 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3cc(C)ccc3OC)c1=O)c(C)nn2-c1ccccc1 ZINC000021641172 523255184 /nfs/dbraw/zinc/25/51/84/523255184.db2.gz RWMGCFDMWIEUHU-UHFFFAOYSA-N 0 0 445.523 3.799 50 0 IHAARN CCn1c2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc2nc(C)c1=O ZINC000014251131 523260857 /nfs/dbraw/zinc/26/08/57/523260857.db2.gz OXXXVKQJMQNUGF-FQEVSTJZSA-N 0 0 433.508 3.863 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCn2cccc2[C@@H]1C ZINC000012506398 523267504 /nfs/dbraw/zinc/26/75/04/523267504.db2.gz DGFBBBUZGCNAST-SFHVURJKSA-N 0 0 441.601 3.609 50 0 IHAARN CCn1c2ccccc2nc(SCC(=O)NCc2cccc(Br)c2)c1=O ZINC000033259848 523285101 /nfs/dbraw/zinc/28/51/01/523285101.db2.gz GWDGBPOHJVNPEF-UHFFFAOYSA-N 0 0 432.343 3.587 50 0 IHAARN CCn1c2ccccc2nc1SCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000012541235 523288944 /nfs/dbraw/zinc/28/89/44/523288944.db2.gz SODUXFDCPNIIPI-INIZCTEOSA-N 0 0 431.583 3.809 50 0 IHAARN COc1ccc(-c2noc(NCCN3CCN(c4cccc(C)c4C)CC3)n2)cc1OC ZINC000021630666 523301406 /nfs/dbraw/zinc/30/14/06/523301406.db2.gz COCZTVNIWIILEO-UHFFFAOYSA-N 0 0 437.544 3.605 50 0 IHAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000020892628 523344798 /nfs/dbraw/zinc/34/47/98/523344798.db2.gz HFTXMRQOLPYUOL-OAQYLSRUSA-N 0 0 425.510 3.981 50 0 IHAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3NCCNC(=O)c2cccs2)cc1 ZINC000036006240 523344934 /nfs/dbraw/zinc/34/49/34/523344934.db2.gz BGQMOLGKUNRGRU-UHFFFAOYSA-N 0 0 448.552 3.913 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)Oc3cccc(C)c3)C2=O)cc1 ZINC000035374472 523413210 /nfs/dbraw/zinc/41/32/10/523413210.db2.gz UPBKVKUNLGTEIQ-ZGPWBKFBSA-N 0 0 440.521 3.624 50 0 IHAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)O1 ZINC000020615999 523495133 /nfs/dbraw/zinc/49/51/33/523495133.db2.gz UPYNRFNYVVOYGA-ZROIWOOFSA-N 0 0 448.269 3.828 50 0 IHAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccn2C)cc1 ZINC000035948800 523598427 /nfs/dbraw/zinc/59/84/27/523598427.db2.gz GSYUOOCSOSJQCK-HXUWFJFHSA-N 0 0 436.537 3.545 50 0 IHAARN CC[C@]1(C)Cc2c(sc3nnn(CC(=O)c4ccc(Br)cc4)c(=O)c32)CO1 ZINC000021147128 523602223 /nfs/dbraw/zinc/60/22/23/523602223.db2.gz AMPLZRIMAFYUJZ-LJQANCHMSA-N 0 0 448.342 3.740 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1OC ZINC000035553029 523650181 /nfs/dbraw/zinc/65/01/81/523650181.db2.gz LTIASIQOTHLWFQ-UHFFFAOYSA-N 0 0 434.496 3.594 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035947739 523650806 /nfs/dbraw/zinc/65/08/06/523650806.db2.gz RFDCFPYKGKYCGL-DEOSSOPVSA-N 0 0 449.551 3.648 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccn1C)C(=O)CC(C)(C)C ZINC000035948785 523655032 /nfs/dbraw/zinc/65/50/32/523655032.db2.gz PPAXWCVFIWPQEF-IBGZPJMESA-N 0 0 444.601 3.676 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035946513 523655114 /nfs/dbraw/zinc/65/51/14/523655114.db2.gz ZKGZLPWAVRHWDZ-FQEVSTJZSA-N 0 0 427.570 3.865 50 0 IHAARN COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cncn1-c1ccccc1 ZINC000012540166 523657415 /nfs/dbraw/zinc/65/74/15/523657415.db2.gz VZNFDTCIENBMOG-UHFFFAOYSA-N 0 0 446.429 3.618 50 0 IHAARN CCn1nc(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000012575060 523673038 /nfs/dbraw/zinc/67/30/38/523673038.db2.gz AIUJNTGVGQMERO-UHFFFAOYSA-N 0 0 434.544 3.505 50 0 IHAARN COc1ccc(C(=O)NC(=S)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000012293024 523679916 /nfs/dbraw/zinc/67/99/16/523679916.db2.gz AGYCMXJUTWTYNI-UHFFFAOYSA-N 0 0 425.554 3.909 50 0 IHAARN COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4ncccc4C)ccc3O2)c(OC)c1OC ZINC000012054533 523705951 /nfs/dbraw/zinc/70/59/51/523705951.db2.gz RZRFDRKJIXPJBU-SFHVURJKSA-N 0 0 434.492 3.816 50 0 IHAARN COCCN(CCOC)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000016050601 523707259 /nfs/dbraw/zinc/70/72/59/523707259.db2.gz HOWZVOUOITZJQU-UHFFFAOYSA-N 0 0 429.517 3.649 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1OC ZINC000035448127 523743224 /nfs/dbraw/zinc/74/32/24/523743224.db2.gz BMBVASMODWGRFB-UHFFFAOYSA-N 0 0 449.463 3.753 50 0 IHAARN CC[C@H](C(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020416784 523763518 /nfs/dbraw/zinc/76/35/18/523763518.db2.gz ZMXQLEAIZOLFIU-FXAWDEMLSA-N 0 0 447.539 3.547 50 0 IHAARN CC[C@H](C(=O)NCc1cccc(Br)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020386255 523786758 /nfs/dbraw/zinc/78/67/58/523786758.db2.gz OYXKWWZPEVBDNL-OAHLLOKOSA-N 0 0 443.301 3.581 50 0 IHAARN CCc1cc(CNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)on1 ZINC000012473072 523788050 /nfs/dbraw/zinc/78/80/50/523788050.db2.gz BMRSGHUWXRFZKK-UHFFFAOYSA-N 0 0 431.540 3.716 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608701 523822134 /nfs/dbraw/zinc/82/21/34/523822134.db2.gz HUHGLEBJEIVSRH-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CCCC(=O)NCCc4ccccc4)nc(CC)n23)s1 ZINC000020862718 523845295 /nfs/dbraw/zinc/84/52/95/523845295.db2.gz MIHCUYCWFRREHV-UHFFFAOYSA-N 0 0 436.581 3.975 50 0 IHAARN COc1ccc(C2=NN(C(=O)COC(=O)c3cccnc3Cl)[C@@H](c3ccco3)C2)cc1 ZINC000022110343 523877027 /nfs/dbraw/zinc/87/70/27/523877027.db2.gz HSKLFVNVXLSVLW-GOSISDBHSA-N 0 0 439.855 3.871 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(OC)c1OC ZINC000012921977 523892419 /nfs/dbraw/zinc/89/24/19/523892419.db2.gz SMLOEJOOQLABDQ-GOSISDBHSA-N 0 0 427.497 3.780 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000012406891 523894483 /nfs/dbraw/zinc/89/44/83/523894483.db2.gz UBQYFEJVMHKVGL-IRBZQWRBSA-N 0 0 447.535 3.806 50 0 IHAARN COCCNC(=O)c1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000032955925 523928541 /nfs/dbraw/zinc/92/85/41/523928541.db2.gz SGOLOAVOSUEENI-UHFFFAOYSA-N 0 0 427.501 3.810 50 0 IHAARN COc1ccc(CCNC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1OC ZINC000012565808 523960008 /nfs/dbraw/zinc/96/00/08/523960008.db2.gz UDPWJMXCMLLGBF-UHFFFAOYSA-N 0 0 436.295 3.692 50 0 IHAARN CO[C@H]1CCCN(C(=O)c2cc3nc(-c4ccncc4)n(C)c3c(NC(=O)C3CCC3)c2)C1 ZINC000012150012 523971566 /nfs/dbraw/zinc/97/15/66/523971566.db2.gz RFNKQTOVVJZPLP-IBGZPJMESA-N 0 0 447.539 3.625 50 0 IHAARN CCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(C(C)C)cc3)S2(=O)=O)cc1 ZINC000021913006 523971921 /nfs/dbraw/zinc/97/19/21/523971921.db2.gz BIVMACCDHDBSRL-UHFFFAOYSA-N 0 0 426.538 3.914 50 0 IHAARN CCc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000020556800 523975704 /nfs/dbraw/zinc/97/57/04/523975704.db2.gz YTYIGYIGZAKHMU-KGLIPLIRSA-N 0 0 432.567 3.873 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C2CC2)cc1 ZINC000009666768 523991010 /nfs/dbraw/zinc/99/10/10/523991010.db2.gz GSUPUPXGZODYPU-SFHVURJKSA-N 0 0 442.581 3.921 50 0 IHAARN COc1ccc(CN(CCCN2CCOCC2)C(=S)Nc2ccccc2)cc1OC ZINC000020625293 524012383 /nfs/dbraw/zinc/01/23/83/524012383.db2.gz OTJKNMFDYDNODU-UHFFFAOYSA-N 0 0 429.586 3.625 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccc(C)cc4)nn3C)C2)cc1 ZINC000033140449 524012728 /nfs/dbraw/zinc/01/27/28/524012728.db2.gz GGZCZXNFHOOWKX-UHFFFAOYSA-N 0 0 439.581 3.755 50 0 IHAARN CN(C)C(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2O1 ZINC000022281979 524017859 /nfs/dbraw/zinc/01/78/59/524017859.db2.gz VTXDDANZOOAWNB-HXUWFJFHSA-N 0 0 439.899 3.810 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)c2ccco2)cc1 ZINC000036048248 524038709 /nfs/dbraw/zinc/03/87/09/524038709.db2.gz IDQBSDBSYSHHOU-OAQYLSRUSA-N 0 0 436.508 3.835 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000035530161 524045643 /nfs/dbraw/zinc/04/56/43/524045643.db2.gz PDAKIDXHVFXSOZ-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN COc1ccc(CNC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)cc1 ZINC000035448699 524048165 /nfs/dbraw/zinc/04/81/65/524048165.db2.gz IPSNCVNSMQLKFK-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN COc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(OC)c(OC)c4)cn23)cc1 ZINC000033281913 524055206 /nfs/dbraw/zinc/05/52/06/524055206.db2.gz WMJBVAARGAERDY-UHFFFAOYSA-N 0 0 437.521 3.948 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000035527330 524065360 /nfs/dbraw/zinc/06/53/60/524065360.db2.gz VOMZPNNXSONODZ-MHZLTWQESA-N 0 0 444.531 3.977 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)n1N ZINC000021576117 524068099 /nfs/dbraw/zinc/06/80/99/524068099.db2.gz JYJABQXHDICQEK-UHFFFAOYSA-N 0 0 441.557 3.532 50 0 IHAARN CCc1cccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)c1 ZINC000024758610 524071845 /nfs/dbraw/zinc/07/18/45/524071845.db2.gz XGDWLLFKVPRKJI-AWEZNQCLSA-N 0 0 434.277 3.845 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccc(C)cc2)s1 ZINC000012442938 524075352 /nfs/dbraw/zinc/07/53/52/524075352.db2.gz KGUQHKBGFWBRKE-UHFFFAOYSA-N 0 0 427.551 3.974 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2c(cc(OC)cc2OC)n1 ZINC000012814265 524077961 /nfs/dbraw/zinc/07/79/61/524077961.db2.gz OVMNEWNLOPXMPB-CYBMUJFWSA-N 0 0 425.510 3.855 50 0 IHAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc5c(c4)OCO5)c3s2)C1 ZINC000035533478 524109928 /nfs/dbraw/zinc/10/99/28/524109928.db2.gz IKZFNPBAVXFZAA-LBPRGKRZSA-N 0 0 443.554 3.782 50 0 IHAARN Cc1cc(C(=O)NCc2nnc(SCc3ccccc3Cl)n2CC(C)C)n(C)n1 ZINC000014956582 524113936 /nfs/dbraw/zinc/11/39/36/524113936.db2.gz DBPSUKUSWOHMRR-UHFFFAOYSA-N 0 0 432.981 3.852 50 0 IHAARN COc1ccc(COn2c(=O)c(-c3cc4ccccc4o3)[n+]([O-])c3ccccc32)cc1OC ZINC000002320268 524121769 /nfs/dbraw/zinc/12/17/69/524121769.db2.gz VRJDHZWYLDRROJ-UHFFFAOYSA-N 0 0 444.443 3.694 50 0 IHAARN Cc1cccc(-c2nn(CN(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 ZINC000012878685 524122462 /nfs/dbraw/zinc/12/24/62/524122462.db2.gz FHAFUDRBFYGNLH-FQEVSTJZSA-N 0 0 442.610 3.573 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1 ZINC000035505078 524123800 /nfs/dbraw/zinc/12/38/00/524123800.db2.gz NMJUARQGPJKVQK-IBGZPJMESA-N 0 0 435.597 3.873 50 0 IHAARN COc1cccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928093 524130200 /nfs/dbraw/zinc/13/02/00/524130200.db2.gz QPOQPOLELZNTNO-BJKOFHAPSA-N 0 0 427.504 3.850 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccnc1 ZINC000021860886 524171427 /nfs/dbraw/zinc/17/14/27/524171427.db2.gz JPLYDSHEFHNGRG-RAWGQGSESA-N 0 0 431.540 3.541 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054392 524178962 /nfs/dbraw/zinc/17/89/62/524178962.db2.gz LKUMHUIHKRHRLC-RTWAWAEBSA-N 0 0 442.531 3.747 50 0 IHAARN COc1cccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000009253881 524187165 /nfs/dbraw/zinc/18/71/65/524187165.db2.gz PSJDFTLNXCUPHY-HSZRJFAPSA-N 0 0 445.519 3.569 50 0 IHAARN COc1cccc2c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc(C)nc12 ZINC000012324501 524200095 /nfs/dbraw/zinc/20/00/95/524200095.db2.gz NKZAQDJGJFYSDL-UHFFFAOYSA-N 0 0 425.510 3.589 50 0 IHAARN COc1ccc(Cl)cc1N(C)C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574342 524214855 /nfs/dbraw/zinc/21/48/55/524214855.db2.gz RLIXQZSESHRPEH-UHFFFAOYSA-N 0 0 442.834 3.516 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COc1cc(CSc2ncccn2)ncc1OC ZINC000015824362 524228050 /nfs/dbraw/zinc/22/80/50/524228050.db2.gz HFVPBEFDKJWIPV-UHFFFAOYSA-N 0 0 446.916 3.852 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947803 524230968 /nfs/dbraw/zinc/23/09/68/524230968.db2.gz YOHFLGDDDYBCFF-NRFANRHFSA-N 0 0 435.524 3.824 50 0 IHAARN C[C@H]1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2S1 ZINC000012780932 524239473 /nfs/dbraw/zinc/23/94/73/524239473.db2.gz ULLLMPBXEDXRRG-KRWDZBQOSA-N 0 0 445.610 3.801 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012843594 524247749 /nfs/dbraw/zinc/24/77/49/524247749.db2.gz PQGKBLNVUDVQNX-HNNXBMFYSA-N 0 0 436.961 3.627 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3)CC2)c1C ZINC000012888638 524251412 /nfs/dbraw/zinc/25/14/12/524251412.db2.gz QEYADUHJFFRPBN-UHFFFAOYSA-N 0 0 444.597 3.516 50 0 IHAARN COc1ccc(Cl)cc1[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(F)(F)F ZINC000012854544 524254679 /nfs/dbraw/zinc/25/46/79/524254679.db2.gz VJXFPLPVARGGRC-KRWDZBQOSA-N 0 0 426.778 3.905 50 0 IHAARN COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000012409491 524265189 /nfs/dbraw/zinc/26/51/89/524265189.db2.gz DELLIRMUEFUKJQ-UHFFFAOYSA-N 0 0 432.436 3.619 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000022912119 524275037 /nfs/dbraw/zinc/27/50/37/524275037.db2.gz UUJCARKGCGUOMW-UHFFFAOYSA-N 0 0 428.964 3.542 50 0 IHAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCc1nnc2ccccn21 ZINC000024333311 524287418 /nfs/dbraw/zinc/28/74/18/524287418.db2.gz KRLYBVRMLGOSRE-UHFFFAOYSA-N 0 0 438.491 3.580 50 0 IHAARN C[C@H](CNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032987537 524383411 /nfs/dbraw/zinc/38/34/11/524383411.db2.gz NUHHIUFFJWLMJM-CQSZACIVSA-N 0 0 444.944 3.880 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@@H](c3ccco3)N(C)C)C2=O)cc1 ZINC000020663692 524399210 /nfs/dbraw/zinc/39/92/10/524399210.db2.gz MGJWVFPJOAXKIJ-GYZZIOIESA-N 0 0 431.492 3.709 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)n1 ZINC000012163083 524424464 /nfs/dbraw/zinc/42/44/64/524424464.db2.gz KKNGPXVODQZKTP-IBGZPJMESA-N 0 0 431.458 3.968 50 0 IHAARN C[C@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)NCCCc3ccccc3)ccc2S1 ZINC000032944032 524461837 /nfs/dbraw/zinc/46/18/37/524461837.db2.gz IKYPRLUNPMHJFZ-INIZCTEOSA-N 0 0 430.595 3.835 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1Cl ZINC000024613030 524471501 /nfs/dbraw/zinc/47/15/01/524471501.db2.gz MURKRMNXLQIDHQ-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600968 524482786 /nfs/dbraw/zinc/48/27/86/524482786.db2.gz NGSNAJQLGPMAKB-KNQAVFIVSA-N 0 0 436.943 3.636 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000012688436 524488806 /nfs/dbraw/zinc/48/88/06/524488806.db2.gz WFCPXLVQWSBJBS-HSZRJFAPSA-N 0 0 444.487 3.860 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000035396707 524511512 /nfs/dbraw/zinc/51/15/12/524511512.db2.gz PTRDRFOBBJWKFF-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN Cc1cc(C)n(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000012765889 524517069 /nfs/dbraw/zinc/51/70/69/524517069.db2.gz XAIMRBKMWJZTBH-UHFFFAOYSA-N 0 0 441.553 3.938 50 0 IHAARN Cc1cc(C)n(CCNC(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)n1 ZINC000012001152 524529948 /nfs/dbraw/zinc/52/99/48/524529948.db2.gz SFFUHPGWBMLRFT-HHHXNRCGSA-N 0 0 444.579 3.955 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1OC ZINC000016960004 524533043 /nfs/dbraw/zinc/53/30/43/524533043.db2.gz KJZRXEKESDDRQW-UHFFFAOYSA-N 0 0 429.885 3.921 50 0 IHAARN COc1ccccc1N1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O ZINC000021658293 524535695 /nfs/dbraw/zinc/53/56/95/524535695.db2.gz BIEHFBCKEOMXRG-UHFFFAOYSA-N 0 0 438.461 3.759 50 0 IHAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)cc2)n1 ZINC000011874215 524538390 /nfs/dbraw/zinc/53/83/90/524538390.db2.gz SDCRMKQUNWVCAR-UHFFFAOYSA-N 0 0 446.555 3.571 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885249 524550495 /nfs/dbraw/zinc/55/04/95/524550495.db2.gz ZVMQBYFHYXKKTO-FQEVSTJZSA-N 0 0 430.508 3.982 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2OC)CC1 ZINC000001131865 524558763 /nfs/dbraw/zinc/55/87/63/524558763.db2.gz GVAIFKRHXUQELA-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1C ZINC000020902095 524575919 /nfs/dbraw/zinc/57/59/19/524575919.db2.gz BDTBEQVMZUVBTM-DEOSSOPVSA-N 0 0 428.536 3.553 50 0 IHAARN Cc1cc(C)nc(CCNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)n1 ZINC000012464606 524576270 /nfs/dbraw/zinc/57/62/70/524576270.db2.gz QSNUGGMSFWXTNE-UHFFFAOYSA-N 0 0 439.947 3.891 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)c1 ZINC000035425032 524609791 /nfs/dbraw/zinc/60/97/91/524609791.db2.gz ZLZVJKBJTCNGGJ-UHFFFAOYSA-N 0 0 425.448 3.784 50 0 IHAARN COc1ccccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012776692 524624450 /nfs/dbraw/zinc/62/44/50/524624450.db2.gz RRKHQCJIABKRLR-SANMLTNESA-N 0 0 441.487 3.813 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC ZINC000015012390 524626305 /nfs/dbraw/zinc/62/63/05/524626305.db2.gz XLRAHCJHGNVPJS-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc3ccccn32)cc1 ZINC000033530277 524628228 /nfs/dbraw/zinc/62/82/28/524628228.db2.gz ZKSIGABZNHEVRX-UHFFFAOYSA-N 0 0 433.493 3.721 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)cc1 ZINC000009218737 524635590 /nfs/dbraw/zinc/63/55/90/524635590.db2.gz VIHVHZRPKXERPJ-UHFFFAOYSA-N 0 0 437.525 3.684 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000012795917 524635919 /nfs/dbraw/zinc/63/59/19/524635919.db2.gz OKEKHXRUFNLXTP-UHFFFAOYSA-N 0 0 437.883 3.969 50 0 IHAARN COc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccccc3Cl)s2)cc1 ZINC000033011479 524659628 /nfs/dbraw/zinc/65/96/28/524659628.db2.gz IFHSCWFEBUCNIY-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012849292 524668022 /nfs/dbraw/zinc/66/80/22/524668022.db2.gz UUORMLPVFLFDKH-UHFFFAOYSA-N 0 0 429.904 3.798 50 0 IHAARN C[C@@H]1CC[C@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000012803730 524711820 /nfs/dbraw/zinc/71/18/20/524711820.db2.gz VQBACKJNZSQYMZ-FOIQADDNSA-N 0 0 437.993 3.932 50 0 IHAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1C ZINC000012747669 524720950 /nfs/dbraw/zinc/72/09/50/524720950.db2.gz KGCRLENVZSNRFQ-UHFFFAOYSA-N 0 0 428.554 3.734 50 0 IHAARN COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3sccc3C(N)=O)s2)cc1 ZINC000012522128 524721169 /nfs/dbraw/zinc/72/11/69/524721169.db2.gz SVZMZNBQUHQHFC-VIFPVBQESA-N 0 0 435.556 3.570 50 0 IHAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc21 ZINC000009439271 534804454 /nfs/dbraw/zinc/80/44/54/534804454.db2.gz SDNHGROSXQSJNZ-UHFFFAOYSA-N 0 0 430.595 3.789 50 0 IHAARN Cc1cccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000012793147 524742114 /nfs/dbraw/zinc/74/21/14/524742114.db2.gz VWFKYJLJINHJBA-UHFFFAOYSA-N 0 0 445.357 3.805 50 0 IHAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)N3CCCCCC3)c3ccccc32)C[C@@H](C)O1 ZINC000017246471 524799612 /nfs/dbraw/zinc/79/96/12/524799612.db2.gz CASIVRXRYQFOHG-RTBURBONSA-N 0 0 443.613 3.772 50 0 IHAARN COc1ccc(OC)c(/C=C/C(=O)OCCOC(=O)/C=C/c2cc(OC)ccc2OC)c1 ZINC000012311272 524801087 /nfs/dbraw/zinc/80/10/87/524801087.db2.gz FGOGPIQDCBACSE-YDWXAUTNSA-N 0 0 442.464 3.534 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000035530232 524858013 /nfs/dbraw/zinc/85/80/13/524858013.db2.gz DQWWPDJAXBHFRY-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C(C)C)c1 ZINC000035962713 524893320 /nfs/dbraw/zinc/89/33/20/524893320.db2.gz YNHGCWINYPORKX-NRFANRHFSA-N 0 0 441.503 3.635 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCCC2)c1 ZINC000036059355 524898146 /nfs/dbraw/zinc/89/81/46/524898146.db2.gz YGZQXTIVBVBSQZ-LEWJYISDSA-N 0 0 442.943 3.835 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012898887 524914903 /nfs/dbraw/zinc/91/49/03/524914903.db2.gz NKTYIPKOSQWSFS-QGZVFWFLSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035448197 524936571 /nfs/dbraw/zinc/93/65/71/524936571.db2.gz KITYWLJBWZJCBB-UHFFFAOYSA-N 0 0 449.463 3.509 50 0 IHAARN Cc1ccc(N2CCN(C(=O)Cn3c4ccccc4c(-c4ccccc4)nc3=O)CC2)cc1 ZINC000033048959 524959783 /nfs/dbraw/zinc/95/97/83/524959783.db2.gz QVRTVYJIDOLVLM-UHFFFAOYSA-N 0 0 438.531 3.721 50 0 IHAARN COc1ccc(OCc2ccccc2Cl)c([C@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000020896411 524975801 /nfs/dbraw/zinc/97/58/01/524975801.db2.gz BSWXGXZAZWBYMH-LJQANCHMSA-N 0 0 433.917 3.929 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000012632849 525001020 /nfs/dbraw/zinc/00/10/20/525001020.db2.gz MQKBPDIMTPOXHD-UHFFFAOYSA-N 0 0 448.928 3.770 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(C)cc2)=N3)cc1 ZINC000020981862 525021581 /nfs/dbraw/zinc/02/15/81/525021581.db2.gz ULTWROBLCUHRBI-UHFFFAOYSA-N 0 0 443.594 3.749 50 0 IHAARN Cc1ccccc1-n1ncc2c1ncn(CC(=O)Nc1ccccc1C(F)(F)F)c2=O ZINC000012237632 525034130 /nfs/dbraw/zinc/03/41/30/525034130.db2.gz NKKHZMIVXMTMRM-UHFFFAOYSA-N 0 0 427.386 3.548 50 0 IHAARN Cc1ccc(NC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)c(Cl)c1 ZINC000020848420 525051605 /nfs/dbraw/zinc/05/16/05/525051605.db2.gz WYORGIXCPFIOIO-UHFFFAOYSA-N 0 0 442.368 3.693 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000034900458 525060571 /nfs/dbraw/zinc/06/05/71/525060571.db2.gz FBLGXLDNGKXMBB-KSEOMHKRSA-N 0 0 441.616 3.827 50 0 IHAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@H](C)OC12CC3CC(CC(C3)C1)C2 ZINC000012445971 525064692 /nfs/dbraw/zinc/06/46/92/525064692.db2.gz HMPSVTMBINGFJC-QZGUCNERSA-N 0 0 446.613 3.774 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000012817921 525069321 /nfs/dbraw/zinc/06/93/21/525069321.db2.gz KFNDJGLVWNXTHB-WSYSLRRZSA-N 0 0 434.508 3.855 50 0 IHAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)nc(C(C)C)n1 ZINC000012791097 525080392 /nfs/dbraw/zinc/08/03/92/525080392.db2.gz DBAZFNZWCZDFFW-INIZCTEOSA-N 0 0 446.393 3.820 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 ZINC000023883493 525102053 /nfs/dbraw/zinc/10/20/53/525102053.db2.gz MFJMITLALOOXQV-SHACYNPGSA-N 0 0 437.446 3.762 50 0 IHAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1Cl ZINC000012237750 525105458 /nfs/dbraw/zinc/10/54/58/525105458.db2.gz BRCZNORYCBVSDD-UHFFFAOYSA-N 0 0 428.279 3.836 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)cc1 ZINC000033273366 525111385 /nfs/dbraw/zinc/11/13/85/525111385.db2.gz DCCZGVRNBHYIFF-UHFFFAOYSA-N 0 0 427.892 3.668 50 0 IHAARN Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br ZINC000032935231 525129689 /nfs/dbraw/zinc/12/96/89/525129689.db2.gz JSLHHERFMZACHK-INIZCTEOSA-N 0 0 434.265 3.740 50 0 IHAARN CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000022137062 525159652 /nfs/dbraw/zinc/15/96/52/525159652.db2.gz MYMHDYQECAMBCK-OAQYLSRUSA-N 0 0 432.611 3.504 50 0 IHAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000035526926 525162246 /nfs/dbraw/zinc/16/22/46/525162246.db2.gz MTYJTEURPVBMNT-NRFANRHFSA-N 0 0 438.952 3.895 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc21 ZINC000012819035 525184750 /nfs/dbraw/zinc/18/47/50/525184750.db2.gz RQXNEDJSBWNOMT-UHFFFAOYSA-N 0 0 435.477 3.663 50 0 IHAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000012889609 525232902 /nfs/dbraw/zinc/23/29/02/525232902.db2.gz KEZZOYGAELCADU-PXNSSMCTSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N(C)C ZINC000012805792 525237707 /nfs/dbraw/zinc/23/77/07/525237707.db2.gz PLDJTJMLWMVPHX-UHFFFAOYSA-N 0 0 447.557 3.522 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000035445824 525238616 /nfs/dbraw/zinc/23/86/16/525238616.db2.gz WBEWEJXYIZLPBM-JOCHJYFZSA-N 0 0 446.551 3.575 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035947217 525238967 /nfs/dbraw/zinc/23/89/67/525238967.db2.gz NVHZVHIWJFYBLW-NRFANRHFSA-N 0 0 440.519 3.952 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSCc2ccc(Cl)cc2)C1=O ZINC000018197831 525242230 /nfs/dbraw/zinc/24/22/30/525242230.db2.gz QNOYKNVQTIUMJU-OAQYLSRUSA-N 0 0 431.945 3.548 50 0 IHAARN Cc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000013056293 525256460 /nfs/dbraw/zinc/25/64/60/525256460.db2.gz BXCWACPATFCVHQ-LJQANCHMSA-N 0 0 443.613 3.626 50 0 IHAARN Cc1cc(NCCCN2CCOCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000021799177 525267288 /nfs/dbraw/zinc/26/72/88/525267288.db2.gz REPNGSNYUXHFNO-UHFFFAOYSA-N 0 0 437.441 3.997 50 0 IHAARN Cc1ccccc1Nc1nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(=S)s1 ZINC000012594522 525277646 /nfs/dbraw/zinc/27/76/46/525277646.db2.gz VSUPGOSZPWPRBE-HNNXBMFYSA-N 0 0 426.633 3.829 50 0 IHAARN COc1ccc([C@@]2(CC(=O)N3CCC(c4ccccc4)CC3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000011880632 525284888 /nfs/dbraw/zinc/28/48/88/525284888.db2.gz SLLKTEMWUBBNSN-HHHXNRCGSA-N 0 0 446.547 3.651 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc(Cl)cc1 ZINC000012926978 525330201 /nfs/dbraw/zinc/33/02/01/525330201.db2.gz OVMNDEBYEJMZJU-CYBMUJFWSA-N 0 0 429.933 3.690 50 0 IHAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O ZINC000023043390 525334717 /nfs/dbraw/zinc/33/47/17/525334717.db2.gz HIGPDGQVASAZHU-HOYKHHGWSA-N 0 0 447.516 3.927 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3n(C)c4=O)CC2)cc1 ZINC000009693058 534850066 /nfs/dbraw/zinc/85/00/66/534850066.db2.gz KYPKYQZZWQOMEY-UHFFFAOYSA-N 0 0 445.544 3.918 50 0 IHAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 ZINC000022294887 525386100 /nfs/dbraw/zinc/38/61/00/525386100.db2.gz NHUPRFMOZKTJOB-IYBDPMFKSA-N 0 0 440.569 3.522 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035961712 525406318 /nfs/dbraw/zinc/40/63/18/525406318.db2.gz KZSPMESYLAAJIB-OAQYLSRUSA-N 0 0 440.519 3.952 50 0 IHAARN Cc1[nH]c(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2C)c(C)c1C(=O)OC(C)C ZINC000019109800 525413869 /nfs/dbraw/zinc/41/38/69/525413869.db2.gz XTDXILFVGNLVMQ-UHFFFAOYSA-N 0 0 441.528 3.901 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCCC2)c(OC)c1 ZINC000036062221 525420269 /nfs/dbraw/zinc/42/02/69/525420269.db2.gz HWKJYNYKKWXPEL-NHCUHLMSSA-N 0 0 442.943 3.835 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2c1C ZINC000021784690 525422377 /nfs/dbraw/zinc/42/23/77/525422377.db2.gz QBVUMLMFIYLHQP-UHFFFAOYSA-N 0 0 449.935 3.724 50 0 IHAARN Cc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000034757900 525479763 /nfs/dbraw/zinc/47/97/63/525479763.db2.gz OGXGLSDLIGEDRE-UHFFFAOYSA-N 0 0 448.498 3.752 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)c3ccccc3NC(=O)C3=CSCCO3)c2c1 ZINC000015774182 525492981 /nfs/dbraw/zinc/49/29/81/525492981.db2.gz MIMWIVPGSBNMTB-UHFFFAOYSA-N 0 0 437.521 3.692 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c(C)c1 ZINC000012800149 525517777 /nfs/dbraw/zinc/51/77/77/525517777.db2.gz IDEQKTZBSKOJOA-UHFFFAOYSA-N 0 0 426.582 3.992 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(C(C)(C)C)cs3)C2)s1 ZINC000022691787 525532094 /nfs/dbraw/zinc/53/20/94/525532094.db2.gz SKSUSEKHIAJHHD-CYBMUJFWSA-N 0 0 427.617 3.850 50 0 IHAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)n1C ZINC000020989972 525572655 /nfs/dbraw/zinc/57/26/55/525572655.db2.gz IMIFLPBJHATMHH-INIZCTEOSA-N 0 0 429.586 3.798 50 0 IHAARN Cc1c(C(=O)N2CCOCC2)c(NC(=O)/C=C/c2cnn(C)c2)sc1-c1ccccc1 ZINC000021767650 525585155 /nfs/dbraw/zinc/58/51/55/525585155.db2.gz GGKZYMHEEJGHEN-CMDGGOBGSA-N 0 0 436.537 3.581 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(/C=C/c3ccncc3)c1)n(C)c(=O)n2C ZINC000012446844 525616539 /nfs/dbraw/zinc/61/65/39/525616539.db2.gz OZNSCOMARXZLHN-BQYQJAHWSA-N 0 0 434.521 3.552 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)cc1 ZINC000033309375 525673981 /nfs/dbraw/zinc/67/39/81/525673981.db2.gz OMYRNDHJQIXWPP-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C(C)C ZINC000034854039 525689744 /nfs/dbraw/zinc/68/97/44/525689744.db2.gz IFTAFPVORLTORD-UHFFFAOYSA-N 0 0 446.594 3.793 50 0 aggregator IHAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)c1 ZINC000015881980 525734041 /nfs/dbraw/zinc/73/40/41/525734041.db2.gz IXFJQWNAVMMKIN-UHFFFAOYSA-N 0 0 449.492 3.526 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C)(C(=O)NCc2ccc(F)cc2)CC1 ZINC000035531224 525782588 /nfs/dbraw/zinc/78/25/88/525782588.db2.gz YOHDLJFJULAOQJ-UHFFFAOYSA-N 0 0 438.952 3.895 50 0 IHAARN Cc1ccsc1C(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000020599270 525817647 /nfs/dbraw/zinc/81/76/47/525817647.db2.gz OHURZKIPBZGHGJ-JOCHJYFZSA-N 0 0 444.597 3.589 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1=O ZINC000012785895 525827412 /nfs/dbraw/zinc/82/74/12/525827412.db2.gz SJNOFRGPJPHHLT-RDGATRHJSA-N 0 0 447.560 3.897 50 0 IHAARN Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccc(C)cc2)cc1 ZINC000012594581 525841470 /nfs/dbraw/zinc/84/14/70/525841470.db2.gz NQKAIJHBUKWPKR-FQEVSTJZSA-N 0 0 442.610 3.764 50 0 IHAARN Cc1c(S(=O)(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cnn1C(F)F ZINC000035399288 525882803 /nfs/dbraw/zinc/88/28/03/525882803.db2.gz SNXJXUBJIFJAGB-UHFFFAOYSA-N 0 0 447.511 3.791 50 0 biogenic IHAARN Cc1c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc(C(=O)N2CCC(C)CC2)n1C ZINC000035422200 525882884 /nfs/dbraw/zinc/88/28/84/525882884.db2.gz OXEIXCJSSHYSSM-UHFFFAOYSA-N 0 0 441.597 3.684 50 0 IHAARN C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000021602993 525890744 /nfs/dbraw/zinc/89/07/44/525890744.db2.gz LMGFWSIOLOCJJQ-NSHDSACASA-N 0 0 432.567 3.850 50 0 IHAARN COc1cccc(CCNC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)c1 ZINC000011869309 525901254 /nfs/dbraw/zinc/90/12/54/525901254.db2.gz OMXDYHAYHBCOFK-QGZVFWFLSA-N 0 0 426.542 3.572 50 0 IHAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)cc1 ZINC000033273737 525909376 /nfs/dbraw/zinc/90/93/76/525909376.db2.gz BJCBYCGXWGPXJQ-OAQYLSRUSA-N 0 0 440.551 3.965 50 0 IHAARN COc1cccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1OC ZINC000012906055 525909782 /nfs/dbraw/zinc/90/97/82/525909782.db2.gz DKPPWVIYNPUXHA-JOCHJYFZSA-N 0 0 432.520 3.704 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1cccc(F)c1)nc2C ZINC000020563698 525935321 /nfs/dbraw/zinc/93/53/21/525935321.db2.gz QGXJXOMTZGDMKD-QGZVFWFLSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCc1ccccc1Cl)nc2C ZINC000020563192 525937191 /nfs/dbraw/zinc/93/71/91/525937191.db2.gz SIYZSHWLACNEBP-MRXNPFEDSA-N 0 0 435.915 3.730 50 0 IHAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000012683912 525954033 /nfs/dbraw/zinc/95/40/33/525954033.db2.gz LFVLHCASHNJUMO-QHCPKHFHSA-N 0 0 437.565 3.834 50 0 IHAARN Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)o1 ZINC000012623028 525958748 /nfs/dbraw/zinc/95/87/48/525958748.db2.gz DTOIDPFBUZWQOT-IBGZPJMESA-N 0 0 439.537 3.705 50 0 IHAARN Cc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000012567545 525967610 /nfs/dbraw/zinc/96/76/10/525967610.db2.gz HCFZGPZUQGNCMC-ILBGXUMGSA-N 0 0 440.609 3.632 50 0 IHAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1cccc(Cl)c1 ZINC000012517417 525988166 /nfs/dbraw/zinc/98/81/66/525988166.db2.gz PVEZODUFAGQCSC-CYBMUJFWSA-N 0 0 425.963 3.639 50 0 IHAARN COc1cccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000021049732 526003466 /nfs/dbraw/zinc/00/34/66/526003466.db2.gz AUBDBOSXLRKUEY-UHFFFAOYSA-N 0 0 438.915 3.521 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1cccc(C)c1C ZINC000035911998 526037616 /nfs/dbraw/zinc/03/76/16/526037616.db2.gz XFFURFWXGRICGN-UHFFFAOYSA-N 0 0 449.580 3.909 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)c2C)no1 ZINC000012582720 526070292 /nfs/dbraw/zinc/07/02/92/526070292.db2.gz MJUVFFSNQPHIIL-AWEZNQCLSA-N 0 0 433.559 3.808 50 0 IHAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 ZINC000012855734 526124143 /nfs/dbraw/zinc/12/41/43/526124143.db2.gz CZIBMWNIAJTSSF-UHFFFAOYSA-N 0 0 432.307 3.999 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1-c1ccccc1C(F)(F)F ZINC000021961224 526125936 /nfs/dbraw/zinc/12/59/36/526125936.db2.gz HLKWIKGIPQWUCV-LBPRGKRZSA-N 0 0 433.352 3.974 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012783451 526132738 /nfs/dbraw/zinc/13/27/38/526132738.db2.gz ZTFRHLNKVFMZSM-MRXNPFEDSA-N 0 0 444.373 3.805 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccc(Cl)cc4)n3)ccc12 ZINC000020723177 526150745 /nfs/dbraw/zinc/15/07/45/526150745.db2.gz IRXZNACJJABUAE-UHFFFAOYSA-N 0 0 425.828 3.647 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000012898006 526168365 /nfs/dbraw/zinc/16/83/65/526168365.db2.gz KHBXLCPAKFZUAO-CYBMUJFWSA-N 0 0 448.317 3.528 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1cnc2ccccc2n1 ZINC000012766039 526168729 /nfs/dbraw/zinc/16/87/29/526168729.db2.gz QVMLQGIVCHQMRX-UHFFFAOYSA-N 0 0 445.342 3.548 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C ZINC000020604249 526172643 /nfs/dbraw/zinc/17/26/43/526172643.db2.gz WEQNGVOCHIYJFL-OAHLLOKOSA-N 0 0 431.377 3.761 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 ZINC000012248741 526180983 /nfs/dbraw/zinc/18/09/83/526180983.db2.gz YBJXFXXTKJJMNK-UHFFFAOYSA-N 0 0 431.470 3.502 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000020579567 526184887 /nfs/dbraw/zinc/18/48/87/526184887.db2.gz NKPHLUUYJHVJBT-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000012759388 526216424 /nfs/dbraw/zinc/21/64/24/526216424.db2.gz BSJYMANBALXOJZ-SFHVURJKSA-N 0 0 443.503 3.759 50 0 IHAARN Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)NCc3ccco3)nn12 ZINC000033114992 526218085 /nfs/dbraw/zinc/21/80/85/526218085.db2.gz MAHQDPNRJYWCGQ-UHFFFAOYSA-N 0 0 447.882 3.577 50 0 IHAARN CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 ZINC000012744496 526225530 /nfs/dbraw/zinc/22/55/30/526225530.db2.gz UBYKNQFHIBHZDE-UHFFFAOYSA-N 0 0 436.603 3.583 50 0 IHAARN Cc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000012897294 526238164 /nfs/dbraw/zinc/23/81/64/526238164.db2.gz TXHWHXFUQILCRW-JOCHJYFZSA-N 0 0 448.475 3.597 50 0 IHAARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n21 ZINC000021537314 526242671 /nfs/dbraw/zinc/24/26/71/526242671.db2.gz GLUPNIJTVXLEID-HNNXBMFYSA-N 0 0 439.585 3.875 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)c1 ZINC000001114544 526247420 /nfs/dbraw/zinc/24/74/20/526247420.db2.gz XQOREOBUOLDNCK-UHFFFAOYSA-N 0 0 427.570 3.847 50 0 IHAARN C[C@H]1CCCC[C@@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 ZINC000012532214 526260007 /nfs/dbraw/zinc/26/00/07/526260007.db2.gz FZJXJELKEJJQFU-KXBFYZLASA-N 0 0 433.541 3.946 50 0 IHAARN C[C@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)C1 ZINC000035399829 526265406 /nfs/dbraw/zinc/26/54/06/526265406.db2.gz CTFRSTPHCRUNCC-KRWDZBQOSA-N 0 0 432.499 3.797 50 0 IHAARN Cc1nn(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c3ccccc3sc21 ZINC000020467118 526279641 /nfs/dbraw/zinc/27/96/41/526279641.db2.gz WGBPHGXHFFAHPT-UHFFFAOYSA-N 0 0 435.505 3.745 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCC1 ZINC000012533713 526304856 /nfs/dbraw/zinc/30/48/56/526304856.db2.gz PFRRUZKJEIPUOL-QRWLVFNGSA-N 0 0 448.976 3.714 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCSc2ccccc21 ZINC000012771751 526304895 /nfs/dbraw/zinc/30/48/95/526304895.db2.gz DTBAYKRPBPRWPL-UHFFFAOYSA-N 0 0 434.558 3.755 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000012776617 526308947 /nfs/dbraw/zinc/30/89/47/526308947.db2.gz OOFBCKBTEOBVSW-KRWDZBQOSA-N 0 0 438.553 3.846 50 0 IHAARN Fc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(F)c(F)c3)C4)CC2)cc1 ZINC000021640429 526352359 /nfs/dbraw/zinc/35/23/59/526352359.db2.gz XJAWBICTGFACQF-UHFFFAOYSA-N 0 0 439.485 3.779 50 0 IHAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4cccc(Br)c4)cc3)nn12 ZINC000012345856 526423873 /nfs/dbraw/zinc/42/38/73/526423873.db2.gz VYXIMRGHOAVNPC-UHFFFAOYSA-N 0 0 428.315 3.854 50 0 IHAARN O=C(NCCc1cccnc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012128427 526437628 /nfs/dbraw/zinc/43/76/28/526437628.db2.gz PSTRYTYPFPPPDC-UHFFFAOYSA-N 0 0 436.519 3.673 50 0 IHAARN O=C(NCCc1cccs1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934025 526443404 /nfs/dbraw/zinc/44/34/04/526443404.db2.gz CUXWXWBFUXBWEV-UHFFFAOYSA-N 0 0 428.945 3.617 50 0 IHAARN O=C(NCCc1cccs1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527887 526445045 /nfs/dbraw/zinc/44/50/45/526445045.db2.gz YORBOOXYKBRDNW-UHFFFAOYSA-N 0 0 428.517 3.732 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1)N1CCc2ccccc21 ZINC000021885240 526455107 /nfs/dbraw/zinc/45/51/07/526455107.db2.gz YIHYZZMCOXIHSE-LJQANCHMSA-N 0 0 428.492 3.946 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CCc3sccc3C2)cc1 ZINC000022313884 526521719 /nfs/dbraw/zinc/52/17/19/526521719.db2.gz SXHHMNXRXDDONH-UHFFFAOYSA-N 0 0 426.494 3.674 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000022754284 526521946 /nfs/dbraw/zinc/52/19/46/526521946.db2.gz GYURVSMWQJNXFF-UHFFFAOYSA-N 0 0 427.545 3.635 50 0 IHAARN O=C([C@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000020531065 526522794 /nfs/dbraw/zinc/52/27/94/526522794.db2.gz DMCJQXBFHMUQTR-DEOSSOPVSA-N 0 0 429.495 3.872 50 0 IHAARN Cc1nc(-c2ccc(-c3noc(CCNS(=O)(=O)c4ccc(C)cc4)n3)cc2)cs1 ZINC000065032270 526563039 /nfs/dbraw/zinc/56/30/39/526563039.db2.gz CWWCSJJBRSVLNJ-UHFFFAOYSA-N 0 0 440.550 3.998 50 0 IHAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000020486088 526580092 /nfs/dbraw/zinc/58/00/92/526580092.db2.gz OBYYBOYJAOJUDP-JOCHJYFZSA-N 0 0 434.927 3.589 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000012762687 526594505 /nfs/dbraw/zinc/59/45/05/526594505.db2.gz GCBKNVKSXRPLMF-UHFFFAOYSA-N 0 0 440.487 3.739 50 0 IHAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012235690 526636699 /nfs/dbraw/zinc/63/66/99/526636699.db2.gz KUUVOUJJYVLGRM-UHFFFAOYSA-N 0 0 445.928 3.710 50 0 IHAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012447900 526644858 /nfs/dbraw/zinc/64/48/58/526644858.db2.gz RPNNHBYTFSSOJI-IBGZPJMESA-N 0 0 434.496 3.544 50 0 IHAARN O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012592835 526646670 /nfs/dbraw/zinc/64/66/70/526646670.db2.gz MLRHVXICUDUIRE-UHFFFAOYSA-N 0 0 439.566 3.685 50 0 IHAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC(=O)Nc1ccccc1Br ZINC000012758013 526658051 /nfs/dbraw/zinc/65/80/51/526658051.db2.gz HLLLUNHYSFZIRL-UHFFFAOYSA-N 0 0 446.276 3.931 50 0 IHAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCc1cccc(-n2cccn2)c1 ZINC000012589669 526664479 /nfs/dbraw/zinc/66/44/79/526664479.db2.gz IDERHKNESYADAX-UHFFFAOYSA-N 0 0 440.507 3.771 50 0 IHAARN O=C(c1ccc(C2SCCCS2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012773225 526667962 /nfs/dbraw/zinc/66/79/62/526667962.db2.gz GKMLZDOQNJNDEF-UHFFFAOYSA-N 0 0 448.635 3.702 50 0 IHAARN O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ccccc2)CC1 ZINC000020934632 526668957 /nfs/dbraw/zinc/66/89/57/526668957.db2.gz PHZKNBBCGZYHMZ-UHFFFAOYSA-N 0 0 444.560 3.683 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000012279530 526677576 /nfs/dbraw/zinc/67/75/76/526677576.db2.gz GIMDBUGJNJGYDO-UHFFFAOYSA-N 0 0 443.494 3.798 50 0 IHAARN O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccccc2)CC1 ZINC000000999568 526685119 /nfs/dbraw/zinc/68/51/19/526685119.db2.gz XMBOMYVWTOHSIF-UHFFFAOYSA-N 0 0 425.330 3.656 50 0 IHAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692070 526688545 /nfs/dbraw/zinc/68/85/45/526688545.db2.gz LGBBRZCHVARBDG-OAQYLSRUSA-N 0 0 445.535 3.915 50 0 IHAARN O=C(CCn1nnc2cc(-c3noc(-c4cccc5[nH]ccc54)n3)ccc21)N1CCCC1 ZINC000035460659 526690967 /nfs/dbraw/zinc/69/09/67/526690967.db2.gz UUKSPEDKEVFBDJ-UHFFFAOYSA-N 0 0 427.468 3.642 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1ccc(Cl)cc1 ZINC000035402476 526710808 /nfs/dbraw/zinc/71/08/08/526710808.db2.gz JKHCSMHPSBMKNJ-UHFFFAOYSA-N 0 0 429.929 3.653 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)NC1CCCCCCC1 ZINC000035402504 526711678 /nfs/dbraw/zinc/71/16/78/526711678.db2.gz PCZWERMXTJAHMS-UHFFFAOYSA-N 0 0 429.586 3.590 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012906766 526745097 /nfs/dbraw/zinc/74/50/97/526745097.db2.gz TWIWLVIYHFXUHA-UHFFFAOYSA-N 0 0 432.973 3.546 50 0 IHAARN Cc1oc(-c2cccs2)nc1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000022910631 526747433 /nfs/dbraw/zinc/74/74/33/526747433.db2.gz ZOZDJEITLAKOTK-OQLLNIDSSA-N 0 0 429.567 3.830 50 0 IHAARN O=C(NCc1ccccc1Cl)c1nnn(-c2ccccc2)c1CSc1ncccn1 ZINC000023109163 526748673 /nfs/dbraw/zinc/74/86/73/526748673.db2.gz HUEYLBZSRJYSJP-UHFFFAOYSA-N 0 0 436.928 3.933 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000035380476 526766137 /nfs/dbraw/zinc/76/61/37/526766137.db2.gz BBRCACZSDLQFDJ-UHFFFAOYSA-N 0 0 427.520 3.538 50 0 IHAARN O=C(NCc1cccnc1)[C@@H]1Cc2ccccc2N2CCN(c3ccc(Cl)cc3)C[C@@H]12 ZINC000035869855 526766924 /nfs/dbraw/zinc/76/69/24/526766924.db2.gz SMSVPALBSVQGQU-VWNXMTODSA-N 0 0 432.955 3.919 50 0 IHAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000035388255 526782774 /nfs/dbraw/zinc/78/27/74/526782774.db2.gz JGAWJLZMYKWVMP-HSZRJFAPSA-N 0 0 425.529 3.621 50 0 IHAARN O=C(CN1CSCC1=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000012750673 526818275 /nfs/dbraw/zinc/81/82/75/526818275.db2.gz WMYWZGCCRWELFC-UHFFFAOYSA-N 0 0 435.880 3.878 50 0 IHAARN O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1 ZINC000021942476 526823720 /nfs/dbraw/zinc/82/37/20/526823720.db2.gz FVTUDFRMFTVHRH-UHFFFAOYSA-N 0 0 443.887 3.875 50 0 IHAARN O=C(CNC(=O)COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878924 526833117 /nfs/dbraw/zinc/83/31/17/526833117.db2.gz UVWVSDLRCGXHRZ-IKKDXCMWSA-N 0 0 426.516 3.595 50 0 IHAARN O=C(c1cncc(Br)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393167 526878731 /nfs/dbraw/zinc/87/87/31/526878731.db2.gz DSDOJOQGRPPVHS-UHFFFAOYSA-N 0 0 428.252 3.821 50 0 IHAARN Cc1sc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc1-c1ccc(F)c(F)c1 ZINC000012893871 526883505 /nfs/dbraw/zinc/88/35/05/526883505.db2.gz UFXRZUPXRIBLBP-UHFFFAOYSA-N 0 0 449.504 3.971 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)OCc4nc(N)c5ccccc5n4)CC3)c2c1C ZINC000012545987 526898749 /nfs/dbraw/zinc/89/87/49/526898749.db2.gz FTPGTFLVJUCIJX-UHFFFAOYSA-N 0 0 448.552 3.793 50 0 IHAARN O=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000021432344 526907619 /nfs/dbraw/zinc/90/76/19/526907619.db2.gz WHIPNAKORJIENI-UHFFFAOYSA-N 0 0 435.871 3.583 50 0 IHAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012889124 526907708 /nfs/dbraw/zinc/90/77/08/526907708.db2.gz UPJYNRYEARPRMU-UHFFFAOYSA-N 0 0 438.484 3.678 50 0 IHAARN O=C(COC(=O)COc1ccc(Br)cc1F)Nc1cccc2ncccc21 ZINC000021445646 526909260 /nfs/dbraw/zinc/90/92/60/526909260.db2.gz QWQZJTDYMCKDEO-UHFFFAOYSA-N 0 0 433.233 3.697 50 0 IHAARN NC(=O)Cn1c(CSCCOc2c(Cl)cccc2Cl)nc2ccccc2c1=O ZINC000012858619 526912833 /nfs/dbraw/zinc/91/28/33/526912833.db2.gz PLPWSMKLOPILKM-UHFFFAOYSA-N 0 0 438.336 3.501 50 0 IHAARN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC1=CCCCC1 ZINC000032987538 526942355 /nfs/dbraw/zinc/94/23/55/526942355.db2.gz JOVIBRRSANTEPE-UHFFFAOYSA-N 0 0 434.949 3.967 50 0 IHAARN O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccccc2F)CC1 ZINC000001110019 526954168 /nfs/dbraw/zinc/95/41/68/526954168.db2.gz PKOSQXWHUGECCH-UHFFFAOYSA-N 0 0 427.701 3.969 50 0 IHAARN O=C1COc2ccc(S(=O)(=O)Oc3ccc4c(c3)occ(-c3ccccc3)c4=O)cc2N1 ZINC000012754755 527014897 /nfs/dbraw/zinc/01/48/97/527014897.db2.gz BQSRXCQZBZQCAI-UHFFFAOYSA-N 0 0 449.440 3.559 50 0 IHAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(C[C@H]2CCCO2)c1C ZINC000012603925 527018354 /nfs/dbraw/zinc/01/83/54/527018354.db2.gz GIWTVJKGITURSE-CQSZACIVSA-N 0 0 425.457 3.731 50 0 IHAARN O=C(N[C@H]1CCCCNC1=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833928 527020991 /nfs/dbraw/zinc/02/09/91/527020991.db2.gz VUFHQFCTTIIBQE-IBGZPJMESA-N 0 0 443.482 3.601 50 0 IHAARN Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000035596849 527022074 /nfs/dbraw/zinc/02/20/74/527022074.db2.gz KRVLBIKYEGLYKC-UHFFFAOYSA-N 0 0 443.912 3.934 50 0 IHAARN Cn1c(C(=O)NCCC2=CCCCC2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000021097436 527043022 /nfs/dbraw/zinc/04/30/22/527043022.db2.gz MZSMZDIFWLGXDC-UHFFFAOYSA-N 0 0 429.586 3.973 50 0 IHAARN O=C(CSc1nccn1-c1ccccc1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000024716038 527072630 /nfs/dbraw/zinc/07/26/30/527072630.db2.gz VIQNUWIXJROBCH-UHFFFAOYSA-N 0 0 432.427 3.969 50 0 IHAARN O=C(CSc1nnc(C2CC2)o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012587671 527082320 /nfs/dbraw/zinc/08/23/20/527082320.db2.gz FHYOJOYZNYVHIC-UHFFFAOYSA-N 0 0 428.436 3.533 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012569613 527082362 /nfs/dbraw/zinc/08/23/62/527082362.db2.gz QQDQVXUNNQUHIJ-UHFFFAOYSA-N 0 0 435.553 3.743 50 0 IHAARN NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC000023143212 527091290 /nfs/dbraw/zinc/09/12/90/527091290.db2.gz LCUMOMJHPIEAEV-UHFFFAOYSA-N 0 0 435.915 3.751 50 0 IHAARN O=C1OCCN1CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000012903381 527093335 /nfs/dbraw/zinc/09/33/35/527093335.db2.gz CURHQVBROFTNJM-UHFFFAOYSA-N 0 0 441.578 3.734 50 0 IHAARN O=C(CSc1nnnn1C1CC1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012815781 527093703 /nfs/dbraw/zinc/09/37/03/527093703.db2.gz OGBDMLKCQDNKON-QPJJXVBHSA-N 0 0 449.536 3.618 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000036015033 527203719 /nfs/dbraw/zinc/20/37/19/527203719.db2.gz VBLWJNHVOJBLLP-GOTSBHOMSA-N 0 0 449.457 3.824 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000065032093 527222858 /nfs/dbraw/zinc/22/28/58/527222858.db2.gz XMCRYFGBCFPJJB-UHFFFAOYSA-N 0 0 426.991 3.825 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1nnc(C2CC2)s1 ZINC000012788873 527237270 /nfs/dbraw/zinc/23/72/70/527237270.db2.gz UZDQAMMYNATSCH-UHFFFAOYSA-N 0 0 432.502 3.537 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000012180416 527249421 /nfs/dbraw/zinc/24/94/21/527249421.db2.gz QBKXSOYVEWCMCJ-UHFFFAOYSA-N 0 0 446.525 3.768 50 0 IHAARN O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)CCCC2 ZINC000013128377 527251524 /nfs/dbraw/zinc/25/15/24/527251524.db2.gz VJZHJMZWZDRVGO-UHFFFAOYSA-N 0 0 429.567 3.813 50 0 IHAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000015607370 527258645 /nfs/dbraw/zinc/25/86/45/527258645.db2.gz BUQXTQRMYGBFSI-LBPRGKRZSA-N 0 0 426.357 3.974 50 0 IHAARN O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000020223878 527265241 /nfs/dbraw/zinc/26/52/41/527265241.db2.gz GJJRXTXGTLBIQE-UHFFFAOYSA-N 0 0 446.303 3.980 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1 ZINC000022033428 527271602 /nfs/dbraw/zinc/27/16/02/527271602.db2.gz FESHWIWCLSZVLR-UHFFFAOYSA-N 0 0 429.767 3.609 50 0 IHAARN O=C(Cc1cccc2ccccc21)NC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 ZINC000011963381 527274056 /nfs/dbraw/zinc/27/40/56/527274056.db2.gz CWRSHBYORQBMAC-QFIPXVFZSA-N 0 0 432.520 3.946 50 0 IHAARN O=C(Cc1ccccc1Br)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020686588 527284631 /nfs/dbraw/zinc/28/46/31/527284631.db2.gz CDLUUZFRXKFDBP-UHFFFAOYSA-N 0 0 437.403 3.804 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000035480902 527284794 /nfs/dbraw/zinc/28/47/94/527284794.db2.gz VUVIPEUAFTUFDU-UHFFFAOYSA-N 0 0 434.471 3.909 50 0 IHAARN O=S(=O)(c1nnn2c1nc(NCc1ccc(F)cc1)c1ccccc12)c1ccccc1 ZINC000020355912 527296459 /nfs/dbraw/zinc/29/64/59/527296459.db2.gz ZHALQBUIGNYEQC-UHFFFAOYSA-N 0 0 433.468 3.862 50 0 IHAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000018111745 527300978 /nfs/dbraw/zinc/30/09/78/527300978.db2.gz HAESQVBUHCLERX-UHFFFAOYSA-N 0 0 440.550 3.820 50 0 IHAARN O=S1(=O)CC[C@@H](NCc2cc3ccc(Cl)cc3nc2OCCc2ccccc2)C1 ZINC000012247533 527309450 /nfs/dbraw/zinc/30/94/50/527309450.db2.gz ASFZNQNCXGWGTE-HXUWFJFHSA-N 0 0 430.957 3.786 50 0 IHAARN O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCN(c2ccccn2)CC1 ZINC000012391811 527323124 /nfs/dbraw/zinc/32/31/24/527323124.db2.gz MOGHDJGPNFGPHR-UHFFFAOYSA-N 0 0 448.470 3.995 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000033059101 527331810 /nfs/dbraw/zinc/33/18/10/527331810.db2.gz MUUSSVKHAJDJLS-CQSZACIVSA-N 0 0 443.429 3.981 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2ccc(F)cc21)NCc1ccccc1Cl ZINC000035535313 527365599 /nfs/dbraw/zinc/36/55/99/527365599.db2.gz DYPJMWUBVNNCMO-UHFFFAOYSA-N 0 0 449.869 3.736 50 0 IHAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000024939884 527396069 /nfs/dbraw/zinc/39/60/69/527396069.db2.gz JPSARCCLXAVBBX-UHFFFAOYSA-N 0 0 429.432 3.784 50 0 IHAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000044892041 527412036 /nfs/dbraw/zinc/41/20/36/527412036.db2.gz ZCMNQQGPZVWQFE-UHFFFAOYSA-N 0 0 437.912 3.645 50 0 IHAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1nc2ccccc2s1 ZINC000012494993 527412303 /nfs/dbraw/zinc/41/23/03/527412303.db2.gz XHVHSAVFQGDJDX-UHFFFAOYSA-N 0 0 441.310 3.921 50 0 IHAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012614148 527414554 /nfs/dbraw/zinc/41/45/54/527414554.db2.gz PKCAVSXJNHXZSY-UHFFFAOYSA-N 0 0 426.523 3.581 50 0 IHAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012769421 527416587 /nfs/dbraw/zinc/41/65/87/527416587.db2.gz YUJFPJSFALOGEV-IBGZPJMESA-N 0 0 444.516 3.593 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1ccc(F)cc1F)CSC2)NCc1ccc(F)cc1 ZINC000023139623 527418258 /nfs/dbraw/zinc/41/82/58/527418258.db2.gz HRFUWRZFKVPZID-UHFFFAOYSA-N 0 0 446.454 3.616 50 0 IHAARN O=c1c2c(ncn2Cc2cccc(F)c2)n(-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000034693422 527459285 /nfs/dbraw/zinc/45/92/85/527459285.db2.gz UWSARJYHEGQGLM-UHFFFAOYSA-N 0 0 426.451 3.585 50 0 IHAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000023312472 527507706 /nfs/dbraw/zinc/50/77/06/527507706.db2.gz QDGUYXWHNCQTAX-UHFFFAOYSA-N 0 0 431.521 3.838 50 0 IHAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020994999 527515200 /nfs/dbraw/zinc/51/52/00/527515200.db2.gz UCRHKGDJDXNFKG-NRFANRHFSA-N 0 0 437.565 3.573 50 0 IHAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)NCc1ccc(C)cc1 ZINC000033307975 527519444 /nfs/dbraw/zinc/51/94/44/527519444.db2.gz NXRPRTNVYIVDGN-UHFFFAOYSA-N 0 0 433.537 3.733 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C3CC3)nc(N3CCCN(C(=O)NC(C)C)CC3)c12 ZINC000036016672 527523885 /nfs/dbraw/zinc/52/38/85/527523885.db2.gz BZHWVSFZOUJKEG-UHFFFAOYSA-N 0 0 447.587 3.940 50 0 IHAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000040062053 527524722 /nfs/dbraw/zinc/52/47/22/527524722.db2.gz XXCPRSFYMWYAAP-UHFFFAOYSA-N 0 0 426.314 3.965 50 0 IHAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)Nc1cccc(F)c1 ZINC000013361247 527536552 /nfs/dbraw/zinc/53/65/52/527536552.db2.gz CISWTISVCBWQNQ-UHFFFAOYSA-N 0 0 428.474 3.850 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1[C@@]1(c3ccccc3NC1=O)N1c3ccccc3NC(=O)C1=N2 ZINC000012557668 527553796 /nfs/dbraw/zinc/55/37/96/527553796.db2.gz QLSVOHMUKBAOFX-AREMUKBSSA-N 0 0 446.470 3.879 50 0 IHAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000033115109 527557440 /nfs/dbraw/zinc/55/74/40/527557440.db2.gz YYLNOVWIHKSMJF-LJQANCHMSA-N 0 0 430.552 3.985 50 0 IHAARN Cn1ncc2c1ncnc2SCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000021754995 527588491 /nfs/dbraw/zinc/58/84/91/527588491.db2.gz QVWPMOXWGXWYMO-KRWDZBQOSA-N 0 0 427.580 3.753 50 0 IHAARN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012923457 527601496 /nfs/dbraw/zinc/60/14/96/527601496.db2.gz WFXRFGVGRFROJN-VOTSOKGWSA-N 0 0 439.364 3.681 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605176 527620246 /nfs/dbraw/zinc/62/02/46/527620246.db2.gz QCKCYVGGRZSEBL-VQHVLOKHSA-N 0 0 433.533 3.896 50 0 IHAARN O=C(NCCC1=CCCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033292305 527625313 /nfs/dbraw/zinc/62/53/13/527625313.db2.gz UVAVNWPQEXFMBW-UHFFFAOYSA-N 0 0 444.557 3.532 50 0 IHAARN O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012905633 527645636 /nfs/dbraw/zinc/64/56/36/527645636.db2.gz OOJXQJOXCHTWPB-DAFODLJHSA-N 0 0 431.366 3.601 50 0 IHAARN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C(=O)C2CC2)CC1 ZINC000015788001 527646133 /nfs/dbraw/zinc/64/61/33/527646133.db2.gz IMABRCIXXDCWRW-ZHACJKMWSA-N 0 0 446.576 3.754 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1C)c1ccc(C)cc1 ZINC000021882013 527655163 /nfs/dbraw/zinc/65/51/63/527655163.db2.gz RHFKCAPNBGLSSZ-UHFFFAOYSA-N 0 0 444.532 3.627 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000020945794 527655261 /nfs/dbraw/zinc/65/52/61/527655261.db2.gz JMWNLCXMTRNWEI-UHFFFAOYSA-N 0 0 444.532 3.627 50 0 IHAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012697101 527667965 /nfs/dbraw/zinc/66/79/65/527667965.db2.gz JJDKKLGFSGPWGF-LTGZKZEYSA-N 0 0 446.572 3.963 50 0 IHAARN CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009519017 535578982 /nfs/dbraw/zinc/57/89/82/535578982.db2.gz FMHCCAFNZRYXHS-UHFFFAOYSA-N 0 0 431.496 3.641 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCc5ccccc54)ccn3n2)cc1 ZINC000009321237 535691760 /nfs/dbraw/zinc/69/17/60/535691760.db2.gz YAPQYBYQMYWGQA-UHFFFAOYSA-N 0 0 428.492 3.541 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)CCc1ccccc1 ZINC000013608502 535704706 /nfs/dbraw/zinc/70/47/06/535704706.db2.gz ZOCGGZZQBTWWMG-PNCHPQGNSA-N 0 0 436.556 3.707 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1 ZINC000009962708 535777355 /nfs/dbraw/zinc/77/73/55/535777355.db2.gz CCKMJZYTUHLRHM-UHFFFAOYSA-N 0 0 443.544 3.852 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000009302448 535978871 /nfs/dbraw/zinc/97/88/71/535978871.db2.gz ITSDXQOHTVCCGE-UHFFFAOYSA-N 0 0 449.580 3.859 50 0 IHAARN CN(Cc1ccccc1N1CCCCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000010899712 536483397 /nfs/dbraw/zinc/48/33/97/536483397.db2.gz SIHOQJHRFOAXRF-UHFFFAOYSA-N 0 0 444.373 3.828 50 0 IHAARN COc1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c(OC)c1 ZINC000013566670 536771553 /nfs/dbraw/zinc/77/15/53/536771553.db2.gz IXKIROQLOAPDTA-UHFFFAOYSA-N 0 0 438.505 3.827 50 0 IHAARN COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c(OC)c1OC ZINC000013518416 536937622 /nfs/dbraw/zinc/93/76/22/536937622.db2.gz XLRIOUVWLCDZAH-OAHLLOKOSA-N 0 0 429.856 3.697 50 0 IHAARN COc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000000688665 537062965 /nfs/dbraw/zinc/06/29/65/537062965.db2.gz NSDPNJBDLLIMHE-ATJXCDBQSA-N 0 0 441.531 3.815 50 0 IHAARN O=C(Nc1ccc(I)cc1)OCn1c(=O)sc2ccccc21 ZINC000000625632 555512374 /nfs/dbraw/zinc/51/23/74/555512374.db2.gz YZQSLVSOQDAVSD-UHFFFAOYSA-N 0 0 426.235 3.874 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2)cc1OC ZINC000000638221 555517247 /nfs/dbraw/zinc/51/72/47/555517247.db2.gz LFJYRSNAVJGWLR-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CCN(CC)C(=O)c1cnn(-c2ccccc2C)c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000644299 555519788 /nfs/dbraw/zinc/51/97/88/555519788.db2.gz WBDLBCXQNQTEFS-UHFFFAOYSA-N 0 0 436.512 3.932 50 0 IHAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc(OC)c1OC ZINC000000646433 555521022 /nfs/dbraw/zinc/52/10/22/555521022.db2.gz SGIXCBQIWNESFK-HXUWFJFHSA-N 0 0 435.484 3.540 50 0 IHAARN Cc1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000000652739 555523485 /nfs/dbraw/zinc/52/34/85/555523485.db2.gz VPLXLUMLVIWNLB-UHFFFAOYSA-N 0 0 448.380 3.655 50 0 IHAARN Cc1sc2nc(C)n(NC(=O)c3ccc(COCC(F)(F)F)cc3)c(=O)c2c1C ZINC000000652984 555523805 /nfs/dbraw/zinc/52/38/05/555523805.db2.gz BXJLSOYPEVWPMW-UHFFFAOYSA-N 0 0 425.432 3.846 50 0 IHAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1 ZINC000000656326 555525051 /nfs/dbraw/zinc/52/50/51/555525051.db2.gz OKEJLVXUVMRJNS-UHFFFAOYSA-N 0 0 441.578 3.624 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000663838 555527682 /nfs/dbraw/zinc/52/76/82/555527682.db2.gz SPYWUJLKQIZCCU-UHFFFAOYSA-N 0 0 430.423 3.884 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000665977 555528365 /nfs/dbraw/zinc/52/83/65/555528365.db2.gz OBVHQDGSAFRDRV-UHFFFAOYSA-N 0 0 444.553 3.640 50 0 IHAARN Cc1ccc(C)c(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2cc(C)ccc2C)c1 ZINC000000675098 555533991 /nfs/dbraw/zinc/53/39/91/555533991.db2.gz FUGXZDRQTPNBAF-FGZHOGPDSA-N 0 0 438.568 3.922 50 0 IHAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 ZINC000000676682 555534928 /nfs/dbraw/zinc/53/49/28/555534928.db2.gz SJIOEECPWSZUDQ-UHFFFAOYSA-N 0 0 435.546 3.564 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)cc2)cc1OC ZINC000000678032 555535721 /nfs/dbraw/zinc/53/57/21/555535721.db2.gz PRGIYNXKFJSQIG-UHFFFAOYSA-N 0 0 446.569 3.610 50 0 IHAARN COc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O ZINC000000692962 555542381 /nfs/dbraw/zinc/54/23/81/555542381.db2.gz SMSMBFXMOYXTLH-UHFFFAOYSA-N 0 0 431.286 3.962 50 0 IHAARN Cc1ccc(S(=O)(=O)N(c2ccc3[nH]cnc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000729696 555552588 /nfs/dbraw/zinc/55/25/88/555552588.db2.gz VQMKGOVHSMKNQR-UHFFFAOYSA-N 0 0 441.534 3.764 50 0 IHAARN COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000782953 555555539 /nfs/dbraw/zinc/55/55/39/555555539.db2.gz LYCDCRQOTDNNRU-UHFFFAOYSA-N 0 0 430.504 3.969 50 0 IHAARN COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccco2)C(C)C)cc1 ZINC000000784739 555556118 /nfs/dbraw/zinc/55/61/18/555556118.db2.gz UDXDJYPBCCWPAA-OAQYLSRUSA-N 0 0 435.480 3.934 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000000794514 555558069 /nfs/dbraw/zinc/55/80/69/555558069.db2.gz UYUSRJDTGMGXEX-QGZVFWFLSA-N 0 0 433.533 3.948 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000000810085 555560669 /nfs/dbraw/zinc/56/06/69/555560669.db2.gz PZSSWISYZCQSAG-UHFFFAOYSA-N 0 0 430.526 3.598 50 0 IHAARN COc1cc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc(OC)c1OC ZINC000000814944 555561355 /nfs/dbraw/zinc/56/13/55/555561355.db2.gz VBEHTLKOYUWZNX-QGZVFWFLSA-N 0 0 435.274 3.607 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc(OC)c1OC ZINC000000814945 555561370 /nfs/dbraw/zinc/56/13/70/555561370.db2.gz VBEHTLKOYUWZNX-KRWDZBQOSA-N 0 0 435.274 3.607 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1c(Cl)cccc1Cl ZINC000000815573 555561860 /nfs/dbraw/zinc/56/18/60/555561860.db2.gz BOOVWMVWRSNDEJ-ZDUSSCGKSA-N 0 0 429.325 3.703 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000821500 555564193 /nfs/dbraw/zinc/56/41/93/555564193.db2.gz BUJGMVUXKKMTQI-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F ZINC000000828312 555565804 /nfs/dbraw/zinc/56/58/04/555565804.db2.gz OKQAWNWYGNSBMM-UHFFFAOYSA-N 0 0 440.321 3.521 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000000834686 555566970 /nfs/dbraw/zinc/56/69/70/555566970.db2.gz RDOBUKWUIMDJJK-AWEZNQCLSA-N 0 0 431.286 3.617 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000000839753 555567907 /nfs/dbraw/zinc/56/79/07/555567907.db2.gz SGCSTDGBQQJJOJ-UHFFFAOYSA-N 0 0 438.505 3.692 50 0 IHAARN CCOc1ccc(CNC(=S)NNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000000862668 555572930 /nfs/dbraw/zinc/57/29/30/555572930.db2.gz SNVJZVBIPJBBSI-UHFFFAOYSA-N 0 0 439.404 3.714 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000000862462 555572985 /nfs/dbraw/zinc/57/29/85/555572985.db2.gz DTOTURMTLSEIKF-SFHVURJKSA-N 0 0 447.944 3.797 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2F)cc1 ZINC000000869460 555574966 /nfs/dbraw/zinc/57/49/66/555574966.db2.gz MPAFFYBQJXRXIM-UHFFFAOYSA-N 0 0 442.468 3.697 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000000938164 555586256 /nfs/dbraw/zinc/58/62/56/555586256.db2.gz QNJPVBJRDQQXSQ-UHFFFAOYSA-N 0 0 431.564 3.700 50 0 IHAARN CC(C)C[C@H](C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)N1C(=O)c2ccccc2C1=O ZINC000000943439 555587421 /nfs/dbraw/zinc/58/74/21/555587421.db2.gz JMDJNNYNLMQMOD-OAQYLSRUSA-N 0 0 445.471 3.898 50 0 IHAARN O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1C1CCCCC1 ZINC000000949119 555588556 /nfs/dbraw/zinc/58/85/56/555588556.db2.gz RKTIIKOTOVCBRU-UHFFFAOYSA-N 0 0 430.673 3.855 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000000953250 555589693 /nfs/dbraw/zinc/58/96/93/555589693.db2.gz AJHBAUHRPOGPCT-AWEZNQCLSA-N 0 0 438.899 3.542 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000998762 555599542 /nfs/dbraw/zinc/59/95/42/555599542.db2.gz GWXKKGIELCLRKI-UHFFFAOYSA-N 0 0 434.447 3.791 50 0 IHAARN Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)n2-c2ccccc2C(F)(F)F)cc1 ZINC000001032478 555606474 /nfs/dbraw/zinc/60/64/74/555606474.db2.gz ZPBNVROQUVTPSD-UHFFFAOYSA-N 0 0 443.472 3.866 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001041931 555609994 /nfs/dbraw/zinc/60/99/94/555609994.db2.gz IYVXATCNUYFLKC-UHFFFAOYSA-N 0 0 430.551 3.929 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1Cl ZINC000001065553 555618199 /nfs/dbraw/zinc/61/81/99/555618199.db2.gz SYUVVAHJUZVLOG-UHFFFAOYSA-N 0 0 426.897 3.527 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001072779 555621925 /nfs/dbraw/zinc/62/19/25/555621925.db2.gz SMCNHZWJUQFLGI-ZDUSSCGKSA-N 0 0 441.322 3.628 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000001074507 555623163 /nfs/dbraw/zinc/62/31/63/555623163.db2.gz FILNFAKUKAIBNX-GFCCVEGCSA-N 0 0 447.923 3.829 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001104409 555629256 /nfs/dbraw/zinc/62/92/56/555629256.db2.gz FVIYVYLKXINABZ-NRFANRHFSA-N 0 0 434.521 3.514 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)ccc1O ZINC000001105502 555629260 /nfs/dbraw/zinc/62/92/60/555629260.db2.gz MGXGUQHBETXMEA-KRWDZBQOSA-N 0 0 448.342 3.595 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1O ZINC000001110250 555631058 /nfs/dbraw/zinc/63/10/58/555631058.db2.gz CDHGSBFWOGVDBV-QGZVFWFLSA-N 0 0 446.301 3.738 50 0 IHAARN CCOc1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000001110759 555631426 /nfs/dbraw/zinc/63/14/26/555631426.db2.gz UKTJQLLTGKNAGA-UHFFFAOYSA-N 0 0 441.347 3.561 50 0 IHAARN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000001119107 555636361 /nfs/dbraw/zinc/63/63/61/555636361.db2.gz UVKDQKBXHXURMV-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)cc1OC ZINC000001126780 555641374 /nfs/dbraw/zinc/64/13/74/555641374.db2.gz YCZFXGAKEKAKLK-IBGZPJMESA-N 0 0 429.904 3.692 50 0 IHAARN C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000001128206 555642621 /nfs/dbraw/zinc/64/26/21/555642621.db2.gz VXRJXEOGDPNYEK-LBPRGKRZSA-N 0 0 447.923 3.829 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cccc(Cl)c2C)cc1 ZINC000001133311 555646049 /nfs/dbraw/zinc/64/60/49/555646049.db2.gz FAGDWXKKUDSXAB-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN O=C(C[C@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000001138218 555648022 /nfs/dbraw/zinc/64/80/22/555648022.db2.gz WKCAISIXWAIGKJ-SANMLTNESA-N 0 0 429.472 3.508 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001138162 555648117 /nfs/dbraw/zinc/64/81/17/555648117.db2.gz MKINKIJKMMRCEL-ZDUSSCGKSA-N 0 0 426.922 3.541 50 0 IHAARN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001143980 555652042 /nfs/dbraw/zinc/65/20/42/555652042.db2.gz WGEJILSLFVNWJZ-UHFFFAOYSA-N 0 0 432.542 3.632 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000001144731 555652370 /nfs/dbraw/zinc/65/23/70/555652370.db2.gz GMKTUPHAAHQFCI-KRWDZBQOSA-N 0 0 437.569 3.962 50 0 IHAARN CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000001157831 555659876 /nfs/dbraw/zinc/65/98/76/555659876.db2.gz DSAKOFGTSJXWKA-CYBMUJFWSA-N 0 0 430.448 3.897 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Br)c1 ZINC000001162033 555662299 /nfs/dbraw/zinc/66/22/99/555662299.db2.gz VORWTVIRPHCTOP-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001162838 555663021 /nfs/dbraw/zinc/66/30/21/555663021.db2.gz YCWSKGKKPHPQKA-UHFFFAOYSA-N 0 0 446.569 3.974 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000001167587 555665008 /nfs/dbraw/zinc/66/50/08/555665008.db2.gz MAUMKJSCPKDJQH-UHFFFAOYSA-N 0 0 432.523 3.605 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000001174256 555668684 /nfs/dbraw/zinc/66/86/84/555668684.db2.gz VODGABVTUABJAM-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000001174538 555668937 /nfs/dbraw/zinc/66/89/37/555668937.db2.gz ZMWYKAKDNIEBDJ-UHFFFAOYSA-N 0 0 446.931 3.986 50 0 IHAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001174356 555668960 /nfs/dbraw/zinc/66/89/60/555668960.db2.gz BMYRUZFFHKOOHL-ZDUSSCGKSA-N 0 0 441.347 3.559 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2OC)sc1NC(=O)C1CC1 ZINC000001181945 555672196 /nfs/dbraw/zinc/67/21/96/555672196.db2.gz RCDMUALLORVGSA-UHFFFAOYSA-N 0 0 432.498 3.851 50 0 IHAARN O=C(Cc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001194946 555676356 /nfs/dbraw/zinc/67/63/56/555676356.db2.gz HGOOAKCTPCAUCS-QGZVFWFLSA-N 0 0 427.220 3.879 50 0 IHAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1C ZINC000009723471 555683072 /nfs/dbraw/zinc/68/30/72/555683072.db2.gz IHEYZCLEXKQGDU-ZDUSSCGKSA-N 0 0 432.322 3.611 50 0 IHAARN O=C(COc1ccccc1F)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000001253577 555687832 /nfs/dbraw/zinc/68/78/32/555687832.db2.gz SCPGNWSYGIAROZ-AWEZNQCLSA-N 0 0 432.517 3.692 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccnc3)o1)CCC2 ZINC000002082591 555738698 /nfs/dbraw/zinc/73/86/98/555738698.db2.gz KXCLKVZWEIVGLB-UHFFFAOYSA-N 0 0 430.511 3.589 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000002376636 555773634 /nfs/dbraw/zinc/77/36/34/555773634.db2.gz YGEUBYFSPKBRMW-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN COc1ccc(-c2nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1OC ZINC000002394465 555775570 /nfs/dbraw/zinc/77/55/70/555775570.db2.gz NJECOFXXBZMHAL-UHFFFAOYSA-N 0 0 428.470 3.563 50 0 IHAARN COc1ccccc1Cn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 ZINC000002405301 555776495 /nfs/dbraw/zinc/77/64/95/555776495.db2.gz GOWSGLVMQGHATR-UHFFFAOYSA-N 0 0 447.539 3.769 50 0 IHAARN CCOC(=O)c1ccc(OCc2c(Br)c(=O)n(-c3ccccc3)n2C)cc1 ZINC000002549924 555787299 /nfs/dbraw/zinc/78/72/99/555787299.db2.gz AAJLQSNYGIBQPV-UHFFFAOYSA-N 0 0 431.286 3.694 50 0 IHAARN COc1cccc(Cn2c(C(=O)N3CCN(C)CC3)cc3sc(Br)cc32)c1 ZINC000034678468 555797097 /nfs/dbraw/zinc/79/70/97/555797097.db2.gz OIQRAQSVCNZSRS-UHFFFAOYSA-N 0 0 448.386 3.910 50 0 IHAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl ZINC000002706998 555800758 /nfs/dbraw/zinc/80/07/58/555800758.db2.gz GILBFFGEKJRDCL-LBPRGKRZSA-N 0 0 440.780 3.618 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccccc2)c(=O)n1CC1CC1 ZINC000034692886 555805347 /nfs/dbraw/zinc/80/53/47/555805347.db2.gz UMMXGOUIDAFGMA-UHFFFAOYSA-N 0 0 440.425 3.826 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(F)cc2F)n(-c2cccc3ccccc32)c1=O ZINC000034694236 555809461 /nfs/dbraw/zinc/80/94/61/555809461.db2.gz UJLPWNWPWNPSQJ-UHFFFAOYSA-N 0 0 432.430 3.849 50 0 IHAARN COc1ccc(OC)c(CN2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)c1 ZINC000034681496 555814582 /nfs/dbraw/zinc/81/45/82/555814582.db2.gz LWJCJRXUKOKSGN-UHFFFAOYSA-N 0 0 432.524 3.673 50 0 IHAARN Cc1ccccc1CSCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000002812606 555827786 /nfs/dbraw/zinc/82/77/86/555827786.db2.gz QEPKMFRYMLRRKS-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1 ZINC000002848457 555838426 /nfs/dbraw/zinc/83/84/26/555838426.db2.gz OVZIPGFLEMYTGC-UHFFFAOYSA-N 0 0 426.351 3.927 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000002856866 555842051 /nfs/dbraw/zinc/84/20/51/555842051.db2.gz RZXXVKUZARLSPQ-JOCHJYFZSA-N 0 0 434.517 3.980 50 0 IHAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000002860585 555844169 /nfs/dbraw/zinc/84/41/69/555844169.db2.gz ZVDQPPWXGNRKBD-UHFFFAOYSA-N 0 0 437.569 3.908 50 0 IHAARN CCn1c(CCNC(=O)c2ccccc2Cl)nnc1SCC(=O)c1ccccc1 ZINC000002861563 555844756 /nfs/dbraw/zinc/84/47/56/555844756.db2.gz UJLHIASBOWKEDS-UHFFFAOYSA-N 0 0 428.945 3.899 50 0 IHAARN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cnccn1 ZINC000002865797 555847044 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Cc1cccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)c1 ZINC000002988344 555874602 /nfs/dbraw/zinc/87/46/02/555874602.db2.gz JDNRAQWZJGNNGX-UHFFFAOYSA-N 0 0 444.578 3.833 50 0 IHAARN COc1cccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000002993030 555875434 /nfs/dbraw/zinc/87/54/34/555875434.db2.gz KVEXRMGLTMVGBA-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003130654 555890167 /nfs/dbraw/zinc/89/01/67/555890167.db2.gz UXPYOQDAKWJFSP-CQSZACIVSA-N 0 0 440.780 3.618 50 0 IHAARN COc1ccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755666 555900825 /nfs/dbraw/zinc/90/08/25/555900825.db2.gz IVCAJOXPRLFONI-UHFFFAOYSA-N 0 0 432.524 3.672 50 0 IHAARN CCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034829788 555911662 /nfs/dbraw/zinc/91/16/62/555911662.db2.gz JSEQZLVYTPZOLX-DFBJGRDBSA-N 0 0 439.625 3.863 50 0 IHAARN CCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000034836125 555914257 /nfs/dbraw/zinc/91/42/57/555914257.db2.gz SZPDYODGMRUFBG-UHFFFAOYSA-N 0 0 447.579 3.868 50 0 IHAARN CCc1[nH]nc(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)Cc1cccc(OC)c1 ZINC000034794974 555917528 /nfs/dbraw/zinc/91/75/28/555917528.db2.gz PHRKNGRNPQQKJW-UHFFFAOYSA-N 0 0 425.485 3.855 50 0 IHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCNC(=O)c3cccc(F)c3)cs2)c1 ZINC000034905397 555919803 /nfs/dbraw/zinc/91/98/03/555919803.db2.gz NOJKBBOJOWVJFI-UHFFFAOYSA-N 0 0 427.501 3.638 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000003612277 555940752 /nfs/dbraw/zinc/94/07/52/555940752.db2.gz KOYVYVHNOJUKKN-OAQYLSRUSA-N 0 0 433.430 3.929 50 0 IHAARN CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000004113678 555963698 /nfs/dbraw/zinc/96/36/98/555963698.db2.gz KUWYBCSJBRGXNI-MRXNPFEDSA-N 0 0 425.279 3.539 50 0 IHAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)Cc4ccccc4)c3)nn12 ZINC000004125377 555965730 /nfs/dbraw/zinc/96/57/30/555965730.db2.gz ZTTFIMGSWZSNRK-UHFFFAOYSA-N 0 0 436.566 3.779 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)N3CCc4ccccc43)CCCC2)c1 ZINC000010559497 555990128 /nfs/dbraw/zinc/99/01/28/555990128.db2.gz YBJXCSPWYZEYRQ-UHFFFAOYSA-N 0 0 441.549 3.522 50 0 IHAARN CCc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000004615376 556004222 /nfs/dbraw/zinc/00/42/22/556004222.db2.gz FORVXNHYHDOKPJ-XOEOCAAJSA-N 0 0 432.557 3.687 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000004682186 556005917 /nfs/dbraw/zinc/00/59/17/556005917.db2.gz RYASBUAWOODVLC-MRXNPFEDSA-N 0 0 429.590 3.638 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NC1CCCCCC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733574 556008871 /nfs/dbraw/zinc/00/88/71/556008871.db2.gz CTCWHUPUVSPIHS-GOTSBHOMSA-N 0 0 437.540 3.848 50 0 IHAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 ZINC000006136619 556076928 /nfs/dbraw/zinc/07/69/28/556076928.db2.gz URQJPVDQSHSHJI-NRFANRHFSA-N 0 0 448.454 3.596 50 0 IHAARN COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241195 556081829 /nfs/dbraw/zinc/08/18/29/556081829.db2.gz RRMSPNKGBOSWLD-DNVCBOLYSA-N 0 0 447.557 3.649 50 0 IHAARN COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241199 556081951 /nfs/dbraw/zinc/08/19/51/556081951.db2.gz RRMSPNKGBOSWLD-KXBFYZLASA-N 0 0 447.557 3.649 50 0 IHAARN Cc1cc(C)c(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCCC3)c2=O)c(C)c1 ZINC000002687329 556118999 /nfs/dbraw/zinc/11/89/99/556118999.db2.gz UDRQNTATLZLIFJ-UHFFFAOYSA-N 0 0 447.579 3.976 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1Cl ZINC000002696550 556121444 /nfs/dbraw/zinc/12/14/44/556121444.db2.gz PQHHAUBCWXPDQM-KRWDZBQOSA-N 0 0 429.856 3.879 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)Cc3ccccc3)sc2Cl)cc1 ZINC000002709067 556124444 /nfs/dbraw/zinc/12/44/44/556124444.db2.gz FWSUPOBPIYOYGZ-UHFFFAOYSA-N 0 0 427.956 3.912 50 0 IHAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1cccc(C(F)(F)F)c1)c2=O ZINC000002712238 556125402 /nfs/dbraw/zinc/12/54/02/556125402.db2.gz XFAALZSTIYETQU-UHFFFAOYSA-N 0 0 448.397 3.601 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(Cl)cc1)c2=O ZINC000002712299 556125414 /nfs/dbraw/zinc/12/54/14/556125414.db2.gz FOCLRPUVTPCPLO-AWEZNQCLSA-N 0 0 428.872 3.624 50 0 IHAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCCCC2)cc1 ZINC000002720756 556127380 /nfs/dbraw/zinc/12/73/80/556127380.db2.gz UAKZUPSSROSQSA-UHFFFAOYSA-N 0 0 448.548 3.980 50 0 IHAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCCC2)cc1 ZINC000002720806 556127399 /nfs/dbraw/zinc/12/73/99/556127399.db2.gz DUMFNFUVCDWESG-UHFFFAOYSA-N 0 0 448.548 3.980 50 0 IHAARN CCn1cc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C(=O)NC(C)C)n1 ZINC000002728867 556133867 /nfs/dbraw/zinc/13/38/67/556133867.db2.gz XVAADOLQMNWXLL-UHFFFAOYSA-N 0 0 444.429 3.711 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000002768752 556139897 /nfs/dbraw/zinc/13/98/97/556139897.db2.gz HUMNBEKWYJZVMN-OAQYLSRUSA-N 0 0 436.533 3.873 50 0 IHAARN COc1ccc(N2C(=S)N=NC2c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)c(OC)c1 ZINC000002790990 556141056 /nfs/dbraw/zinc/14/10/56/556141056.db2.gz SLCBIBJABJQOMM-YMTOWFKASA-N 0 0 440.451 3.744 50 0 IHAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCc4ccccc43)c2n1 ZINC000002779610 556141305 /nfs/dbraw/zinc/14/13/05/556141305.db2.gz IMWBCKZWFQQFCJ-UHFFFAOYSA-N 0 0 426.402 3.660 50 0 IHAARN Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002800362 556142395 /nfs/dbraw/zinc/14/23/95/556142395.db2.gz UTDZHSZDYSUFRF-UHFFFAOYSA-N 0 0 432.797 3.689 50 0 IHAARN CCn1cc(Cn2cc(NC(=O)c3cc(Br)ccc3OC(F)F)cn2)cn1 ZINC000002805296 556143376 /nfs/dbraw/zinc/14/33/76/556143376.db2.gz CJHBTCSXRHZXFP-UHFFFAOYSA-N 0 0 440.248 3.764 50 0 IHAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccnn4C)cc3n2)s1 ZINC000002794126 556145023 /nfs/dbraw/zinc/14/50/23/556145023.db2.gz MCDNWUXTBIFBNJ-UHFFFAOYSA-N 0 0 434.447 3.703 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2ccccc21 ZINC000002855191 556148104 /nfs/dbraw/zinc/14/81/04/556148104.db2.gz REPJFEQJGKBKMC-NRFANRHFSA-N 0 0 436.533 3.873 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)c(C)c1 ZINC000003009712 556155598 /nfs/dbraw/zinc/15/55/98/556155598.db2.gz REMLDNMBXFLNGT-UHFFFAOYSA-N 0 0 445.928 3.588 50 0 IHAARN CCOc1cccc(C(NC(=O)c2ccc(OC)cc2)NC(=O)c2ccc(OC)cc2)c1 ZINC000008384829 556160586 /nfs/dbraw/zinc/16/05/86/556160586.db2.gz UMDFNRZMYZQRCZ-UHFFFAOYSA-N 0 0 434.492 3.961 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000008425295 556168297 /nfs/dbraw/zinc/16/82/97/556168297.db2.gz LBYRYAHQGKMPRG-QIPHDZALSA-N 0 0 444.965 3.513 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000008425829 556168553 /nfs/dbraw/zinc/16/85/53/556168553.db2.gz GKIVQYRQZVDMQG-JDCXBEBJSA-N 0 0 440.524 3.561 50 0 IHAARN COc1ccc(/C=C/C(=O)N2C[C@H](C)N(C(=O)/C=C/c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000008432577 556171866 /nfs/dbraw/zinc/17/18/66/556171866.db2.gz QCJLCFDQRHLDBA-QYJLXWRPSA-N 0 0 434.536 3.878 50 0 IHAARN Cc1cccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccccc3)C2=O)c1 ZINC000008595036 556190245 /nfs/dbraw/zinc/19/02/45/556190245.db2.gz OQQJFIDJHIBHMK-RUZDIDTESA-N 0 0 443.528 3.913 50 0 IHAARN Cc1ccc(C(=O)Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)s1 ZINC000008745952 556209515 /nfs/dbraw/zinc/20/95/15/556209515.db2.gz OPCBXBKPOUWFTI-UHFFFAOYSA-N 0 0 448.548 3.776 50 0 IHAARN Cc1nnc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000008765926 556212299 /nfs/dbraw/zinc/21/22/99/556212299.db2.gz LAELFMSKLGNTJL-WCIBSUBMSA-N 0 0 429.310 3.828 50 0 IHAARN COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000008815756 556217110 /nfs/dbraw/zinc/21/71/10/556217110.db2.gz GXTBCIBJANTGBZ-GZTJUZNOSA-N 0 0 443.887 3.667 50 0 IHAARN CCCCOc1ccc(OCCNC(=O)[C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 ZINC000008815930 556217410 /nfs/dbraw/zinc/21/74/10/556217410.db2.gz KYXWRTFVYJULNV-IBGZPJMESA-N 0 0 442.512 3.504 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN(C)Cc2cnn(C)c2)sc(C)c1-c1ccccc1 ZINC000032539838 556227166 /nfs/dbraw/zinc/22/71/66/556227166.db2.gz LGNRYVMXUFCDBK-UHFFFAOYSA-N 0 0 426.542 3.704 50 0 IHAARN CCOc1c(Br)cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1OC ZINC000008863540 556228342 /nfs/dbraw/zinc/22/83/42/556228342.db2.gz WVDIMIHDBWZJQG-UHFFFAOYSA-N 0 0 437.294 3.511 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@@](O)([C@@H](C)C(=O)c3ccccc3)C2=O)cc1OC ZINC000008919037 556233087 /nfs/dbraw/zinc/23/30/87/556233087.db2.gz RWASCRWLVRICNW-QLXKLKPCSA-N 0 0 431.488 3.957 50 0 IHAARN CN1O[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O ZINC000008925823 556234140 /nfs/dbraw/zinc/23/41/40/556234140.db2.gz ADZJARQMKWNYLU-ZHALLVOQSA-N 0 0 445.258 3.576 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000009226317 556260125 /nfs/dbraw/zinc/26/01/25/556260125.db2.gz FCUQAEXLQOHCQV-NXILAULNSA-N 0 0 440.883 3.737 50 0 IHAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009226791 556260410 /nfs/dbraw/zinc/26/04/10/556260410.db2.gz HZCONNSZCWIHGS-GOSISDBHSA-N 0 0 436.295 3.510 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009226901 556260636 /nfs/dbraw/zinc/26/06/36/556260636.db2.gz WWPOUDGDDNCKKY-UHFFFAOYSA-N 0 0 438.505 3.531 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)cc1 ZINC000009232195 556261728 /nfs/dbraw/zinc/26/17/28/556261728.db2.gz ZIVLKCIFZPPUHV-OAQYLSRUSA-N 0 0 441.531 3.959 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 ZINC000009234672 556263134 /nfs/dbraw/zinc/26/31/34/556263134.db2.gz HBXROXJGSAIWTE-KRWDZBQOSA-N 0 0 429.476 3.939 50 0 IHAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCC2)cc1 ZINC000009236506 556263907 /nfs/dbraw/zinc/26/39/07/556263907.db2.gz KRRJQOYLQRUYDF-WOJBJXKFSA-N 0 0 435.553 3.725 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237929 556264621 /nfs/dbraw/zinc/26/46/21/556264621.db2.gz WLHYYHLVAWEZPE-HZPDHXFCSA-N 0 0 430.331 3.747 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1Cl ZINC000009238582 556264636 /nfs/dbraw/zinc/26/46/36/556264636.db2.gz MEXPRQYKFDUCBR-MSOLQXFVSA-N 0 0 429.933 3.955 50 0 IHAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000009262274 556269523 /nfs/dbraw/zinc/26/95/23/556269523.db2.gz GXXRSJYOLPODBK-ONDHQXCVSA-N 0 0 427.478 3.872 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 ZINC000009288768 556273385 /nfs/dbraw/zinc/27/33/85/556273385.db2.gz XWWFOTPYDVHWFP-QGZVFWFLSA-N 0 0 436.537 3.714 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 ZINC000013687931 556277752 /nfs/dbraw/zinc/27/77/52/556277752.db2.gz HFQGSIODMMPXHG-OAQYLSRUSA-N 0 0 433.552 3.707 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 ZINC000013687935 556277795 /nfs/dbraw/zinc/27/77/95/556277795.db2.gz HFQGSIODMMPXHG-NRFANRHFSA-N 0 0 433.552 3.707 50 0 IHAARN O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 ZINC000013690274 556279679 /nfs/dbraw/zinc/27/96/79/556279679.db2.gz BYYBMMMYSVDTPP-TZIWHRDSSA-N 0 0 432.904 3.723 50 0 IHAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000013690947 556280401 /nfs/dbraw/zinc/28/04/01/556280401.db2.gz JYHBJGVSRABMLD-UHFFFAOYSA-N 0 0 425.479 3.966 50 0 IHAARN COc1cccc(NC(=O)Cn2cnc3c(oc4nc(CC(C)C)c5c(c43)CCC5)c2=O)c1 ZINC000013691156 556280769 /nfs/dbraw/zinc/28/07/69/556280769.db2.gz KJMSTDMWQPRQBF-UHFFFAOYSA-N 0 0 446.507 3.872 50 0 IHAARN CN(C)c1ccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 ZINC000013691843 556281436 /nfs/dbraw/zinc/28/14/36/556281436.db2.gz SCLJADJNGOUNQD-UKILVPOCSA-N 0 0 436.577 3.644 50 0 IHAARN Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000013692180 556281713 /nfs/dbraw/zinc/28/17/13/556281713.db2.gz VZTSLHKCBVHVBY-HXUWFJFHSA-N 0 0 440.931 3.707 50 0 IHAARN Cc1nc2cc(NC(=O)CCCN3C(=O)c4ccc(Br)cc4C3=O)ccc2o1 ZINC000032731106 556283282 /nfs/dbraw/zinc/28/32/82/556283282.db2.gz ZAQJTIPCZQVPOD-UHFFFAOYSA-N 0 0 442.269 3.914 50 0 IHAARN COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009341358 556283473 /nfs/dbraw/zinc/28/34/73/556283473.db2.gz VOROGHWVVWMFEX-QZTJIDSGSA-N 0 0 440.949 3.763 50 0 IHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccn4)cc3N2)c1 ZINC000009410749 556288400 /nfs/dbraw/zinc/28/84/00/556288400.db2.gz FRVAWDIEEMWVBA-AEFFLSMTSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3cccnc3)c2N1 ZINC000009411095 556288832 /nfs/dbraw/zinc/28/88/32/556288832.db2.gz FDISIYUGWSPMCE-WMZOPIPTSA-N 0 0 431.418 3.877 50 0 IHAARN Cc1nc2ccccc2n1Cc1nnc2sc(-c3cncc(Br)c3)nn12 ZINC000009421674 556289519 /nfs/dbraw/zinc/28/95/19/556289519.db2.gz CZKUCHQSYYMMDW-UHFFFAOYSA-N 0 0 426.303 3.717 50 0 IHAARN CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)NCc3c(F)cccc3Cl)c(C)c12 ZINC000009435731 556291514 /nfs/dbraw/zinc/29/15/14/556291514.db2.gz XKJBBJBFDKENKM-UHFFFAOYSA-N 0 0 431.847 3.987 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)n1 ZINC000013726626 556293153 /nfs/dbraw/zinc/29/31/53/556293153.db2.gz DWUJXYIXENJJAF-UHFFFAOYSA-N 0 0 434.521 3.828 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)[C@H](C(=O)NCc1ccccc1)C2 ZINC000009482373 556293785 /nfs/dbraw/zinc/29/37/85/556293785.db2.gz TYFWEWXRNZDFBZ-QFIPXVFZSA-N 0 0 445.519 3.979 50 0 IHAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000009498737 556295587 /nfs/dbraw/zinc/29/55/87/556295587.db2.gz ZGXSVYAWQPNGRG-UHFFFAOYSA-N 0 0 425.514 3.566 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)Nc3nnc(C[C@@H](C)c4ccccc4)s3)CC2=O)c1 ZINC000009614750 556303969 /nfs/dbraw/zinc/30/39/69/556303969.db2.gz JWMIIUALQLFRAG-NVXWUHKLSA-N 0 0 436.537 3.885 50 0 IHAARN O=C(CSCCSCC(=O)Nc1ccc(Cl)cn1)Nc1ccc(Cl)cn1 ZINC000009805704 556309421 /nfs/dbraw/zinc/30/94/21/556309421.db2.gz DFWVULANNMKMPE-UHFFFAOYSA-N 0 0 431.370 3.827 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccc(C)cc2)c1 ZINC000009830304 556310751 /nfs/dbraw/zinc/31/07/51/556310751.db2.gz VRPUXOCSAUFUIU-UHFFFAOYSA-N 0 0 446.532 3.888 50 0 IHAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000009830459 556310989 /nfs/dbraw/zinc/31/09/89/556310989.db2.gz YAQUPUZMNJQEBG-RDTXWAMCSA-N 0 0 442.516 3.619 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 ZINC000009846545 556313508 /nfs/dbraw/zinc/31/35/08/556313508.db2.gz SGVAGDQNNBFRJL-FQEVSTJZSA-N 0 0 425.460 3.943 50 0 IHAARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1 ZINC000009934710 556318277 /nfs/dbraw/zinc/31/82/77/556318277.db2.gz PXBWATPTSWXPGR-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCOC)cc1 ZINC000009934321 556318303 /nfs/dbraw/zinc/31/83/03/556318303.db2.gz VLKDMLGKODCSIR-IBGZPJMESA-N 0 0 429.904 3.715 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)c1cc(F)cc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000032753610 556322816 /nfs/dbraw/zinc/32/28/16/556322816.db2.gz DOERRGLATTVCFS-FQEVSTJZSA-N 0 0 431.414 3.941 50 0 IHAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 ZINC000010035139 556322982 /nfs/dbraw/zinc/32/29/82/556322982.db2.gz UEXWLUKVUFYGLE-UHFFFAOYSA-N 0 0 441.294 3.602 50 0 IHAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000032550265 556323445 /nfs/dbraw/zinc/32/34/45/556323445.db2.gz POOXMTWAIMDYLQ-UHFFFAOYSA-N 0 0 445.609 3.639 50 0 IHAARN O=C(CNc1cccc(OC[C@H]2CCCO2)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000032776691 556326838 /nfs/dbraw/zinc/32/68/38/556326838.db2.gz ITRLCEGFQWSXIW-GOSISDBHSA-N 0 0 427.892 3.529 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1OC ZINC000010297223 556330059 /nfs/dbraw/zinc/33/00/59/556330059.db2.gz QAUOWDDNYBDTRE-NRFANRHFSA-N 0 0 445.483 3.671 50 0 IHAARN Cc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)sc1-c1nccn1C(F)F ZINC000032764583 556331918 /nfs/dbraw/zinc/33/19/18/556331918.db2.gz USGLEBKJHAZTEE-LBPRGKRZSA-N 0 0 435.456 3.794 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(NC(=O)OC)cc1 ZINC000032765679 556332836 /nfs/dbraw/zinc/33/28/36/556332836.db2.gz CDGLWFYALNFABU-UHFFFAOYSA-N 0 0 449.529 3.546 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032768563 556333192 /nfs/dbraw/zinc/33/31/92/556333192.db2.gz ZVPBXZWXPOKJTB-GOEBONIOSA-N 0 0 427.526 3.503 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c2nc3n(c2n1)CCCCC3 ZINC000032770916 556334798 /nfs/dbraw/zinc/33/47/98/556334798.db2.gz PUWRTIMCRGSIHF-QGZVFWFLSA-N 0 0 429.528 3.529 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2cccc(F)c2)c(Br)c1 ZINC000032770687 556334894 /nfs/dbraw/zinc/33/48/94/556334894.db2.gz JXZPZGVPDPMZIF-UHFFFAOYSA-N 0 0 444.322 3.976 50 0 IHAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)CC1=O ZINC000010462025 556335490 /nfs/dbraw/zinc/33/54/90/556335490.db2.gz HIQKASQOJJDNSJ-QGZVFWFLSA-N 0 0 439.512 3.543 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000032772773 556335488 /nfs/dbraw/zinc/33/54/88/556335488.db2.gz YVUHCDCSERSEEO-IBGZPJMESA-N 0 0 442.972 3.893 50 0 IHAARN COc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3[S@@](C)=O)n2)cc1 ZINC000032772573 556335524 /nfs/dbraw/zinc/33/55/24/556335524.db2.gz CVWCCXFPPTXZRG-PMERELPUSA-N 0 0 427.526 3.625 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000032774498 556336553 /nfs/dbraw/zinc/33/65/53/556336553.db2.gz XGRHHMBGGRZFSR-MRXNPFEDSA-N 0 0 449.507 3.706 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)OCc1csc(COc2ccc(F)cc2)n1 ZINC000032776284 556337372 /nfs/dbraw/zinc/33/73/72/556337372.db2.gz IGSZYFFHDUNLTN-UHFFFAOYSA-N 0 0 428.441 3.903 50 0 IHAARN CC[C@@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000013940221 556337594 /nfs/dbraw/zinc/33/75/94/556337594.db2.gz IYRMANQCWMEWRO-OAHLLOKOSA-N 0 0 426.941 3.893 50 0 IHAARN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccccc1I ZINC000013941024 556338149 /nfs/dbraw/zinc/33/81/49/556338149.db2.gz XAEAXQRVXATDCP-UHFFFAOYSA-N 0 0 440.350 3.720 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(SC)cc2OC)c1 ZINC000013941819 556338813 /nfs/dbraw/zinc/33/88/13/556338813.db2.gz FKXLLTWFNMAAPM-UHFFFAOYSA-N 0 0 438.571 3.709 50 0 IHAARN O=C(COc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000013944417 556341672 /nfs/dbraw/zinc/34/16/72/556341672.db2.gz BQCRAUURHKZNSU-CYBMUJFWSA-N 0 0 428.901 3.730 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000011565752 556342333 /nfs/dbraw/zinc/34/23/33/556342333.db2.gz YPTKVSJLEWNXOQ-UHFFFAOYSA-N 0 0 427.453 3.908 50 0 IHAARN O=S(=O)(CC1CC1)c1ncc(CN2CCC[C@@H](CCCO)C2)n1CC1CCCCC1 ZINC000011664458 556345261 /nfs/dbraw/zinc/34/52/61/556345261.db2.gz UVYOQASUGWVPNX-IBGZPJMESA-N 0 0 437.650 3.632 50 0 IHAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(Cn4cc(Br)cn4)cc3)c12 ZINC000013960942 556348721 /nfs/dbraw/zinc/34/87/21/556348721.db2.gz NMAXNSVHUABJQE-UHFFFAOYSA-N 0 0 439.317 3.845 50 0 IHAARN COc1ccc(CN(C)C(=O)CC[C@@]2(Cc3ccsc3)CCC(=O)N2)c2cccnc12 ZINC000011782405 556351002 /nfs/dbraw/zinc/35/10/02/556351002.db2.gz ZRYXIJXARBWPDD-XMMPIXPASA-N 0 0 437.565 3.935 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 ZINC000011782980 556351375 /nfs/dbraw/zinc/35/13/75/556351375.db2.gz UXTWHOISLFYLGE-WXVAWEFUSA-N 0 0 444.531 3.768 50 0 IHAARN COC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O ZINC000011788044 556354234 /nfs/dbraw/zinc/35/42/34/556354234.db2.gz UNYLTXSCLNMVQM-AJTFRIOCSA-N 0 0 448.563 3.610 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1I ZINC000014021285 556356758 /nfs/dbraw/zinc/35/67/58/556356758.db2.gz KEUCLXCSXQFUAS-AWEZNQCLSA-N 0 0 440.306 3.904 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000011818932 556361000 /nfs/dbraw/zinc/36/10/00/556361000.db2.gz SVMSMYSDCVYPTH-LJQANCHMSA-N 0 0 445.388 3.735 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000011818933 556361145 /nfs/dbraw/zinc/36/11/45/556361145.db2.gz SVMSMYSDCVYPTH-IBGZPJMESA-N 0 0 445.388 3.735 50 0 IHAARN COc1cc(N2C[C@@H](C(=O)Oc3cccc(Cl)c3Cl)CC2=O)cc(OC)c1OC ZINC000032796426 556361193 /nfs/dbraw/zinc/36/11/93/556361193.db2.gz YIRLDDKSKOSENI-NSHDSACASA-N 0 0 440.279 3.978 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000011820283 556361869 /nfs/dbraw/zinc/36/18/69/556361869.db2.gz FWTGMWJIQHXWNZ-QHCPKHFHSA-N 0 0 427.451 3.869 50 0 IHAARN COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 ZINC000011821566 556362873 /nfs/dbraw/zinc/36/28/73/556362873.db2.gz ZRPDEMHCKZEIMA-SFHVURJKSA-N 0 0 429.586 3.623 50 0 IHAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000011838488 556363414 /nfs/dbraw/zinc/36/34/14/556363414.db2.gz PREFNUDBVMVOAZ-IBGZPJMESA-N 0 0 428.517 3.930 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCCN2CCCCC2=O)C1 ZINC000011841324 556365227 /nfs/dbraw/zinc/36/52/27/556365227.db2.gz MUBHWQLRPNFAPO-FQEVSTJZSA-N 0 0 426.536 3.934 50 0 IHAARN Nn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014093490 556366127 /nfs/dbraw/zinc/36/61/27/556366127.db2.gz PGSVDWMTYQKJPJ-HXUWFJFHSA-N 0 0 441.532 3.556 50 0 IHAARN C[C@H](NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)OCO2 ZINC000014094572 556366568 /nfs/dbraw/zinc/36/65/68/556366568.db2.gz SDFLPNUNNSYYPB-AWEZNQCLSA-N 0 0 433.489 3.731 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000022927275 556367769 /nfs/dbraw/zinc/36/77/69/556367769.db2.gz CGSJDKHGYUVYQS-UHFFFAOYSA-N 0 0 435.977 3.740 50 0 IHAARN CNC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000014099877 556367902 /nfs/dbraw/zinc/36/79/02/556367902.db2.gz FAAWAUMCTPLHBY-UHFFFAOYSA-N 0 0 435.457 3.587 50 0 IHAARN COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000014108505 556368817 /nfs/dbraw/zinc/36/88/17/556368817.db2.gz RESDSOYAASDFIP-DEOSSOPVSA-N 0 0 431.448 3.600 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000014119069 556371614 /nfs/dbraw/zinc/37/16/14/556371614.db2.gz FJELXMTVEAGWRI-UHFFFAOYSA-N 0 0 446.507 3.698 50 0 IHAARN Cc1nc(CN(C)C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1 ZINC000011910588 556374944 /nfs/dbraw/zinc/37/49/44/556374944.db2.gz NDMLNRLLFTUFFD-UHFFFAOYSA-N 0 0 430.537 3.773 50 0 IHAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000014135671 556375195 /nfs/dbraw/zinc/37/51/95/556375195.db2.gz XZRKTLOOESUSLV-XMMPIXPASA-N 0 0 431.448 3.600 50 0 IHAARN COc1ccc(C(=O)CCC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)cc1 ZINC000011934204 556377511 /nfs/dbraw/zinc/37/75/11/556377511.db2.gz RBDKPXFGURGAGM-UHFFFAOYSA-N 0 0 440.544 3.703 50 0 IHAARN COc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)cc(OC)c1OC ZINC000011934497 556377637 /nfs/dbraw/zinc/37/76/37/556377637.db2.gz VLDXHWXPIYVRSQ-KRWDZBQOSA-N 0 0 425.460 3.845 50 0 IHAARN Cc1ccc(CN(C)C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)cc1 ZINC000011963814 556381440 /nfs/dbraw/zinc/38/14/40/556381440.db2.gz HQKNLTHGBBFLLA-HHHXNRCGSA-N 0 0 441.531 3.636 50 0 IHAARN COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1Br ZINC000014180197 556381985 /nfs/dbraw/zinc/38/19/85/556381985.db2.gz CYTKMTVKOGALBV-UHFFFAOYSA-N 0 0 441.709 3.830 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000014181756 556382591 /nfs/dbraw/zinc/38/25/91/556382591.db2.gz HFRIQGNIWLQXFI-UHFFFAOYSA-N 0 0 429.879 3.930 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CN2CCOCC2)cc1 ZINC000014183791 556383794 /nfs/dbraw/zinc/38/37/94/556383794.db2.gz KHUNKVTWBFXRJV-UHFFFAOYSA-N 0 0 430.430 3.976 50 0 IHAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014185247 556385398 /nfs/dbraw/zinc/38/53/98/556385398.db2.gz NGAGMHDGJAVFFK-UHFFFAOYSA-N 0 0 426.516 3.811 50 0 IHAARN COc1cc(CN(C2CC2)S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1OC(F)F ZINC000014189200 556387386 /nfs/dbraw/zinc/38/73/86/556387386.db2.gz LEKYWOHPAZJLOK-UHFFFAOYSA-N 0 0 425.453 3.853 50 0 IHAARN COc1cccc(CN2C[C@H](C(=O)N3CCC(OCc4ccccc4)CC3)CCC2=O)c1 ZINC000012031592 556388910 /nfs/dbraw/zinc/38/89/10/556388910.db2.gz AMLXPUKLPJFZRP-JOCHJYFZSA-N 0 0 436.552 3.642 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000014198460 556389682 /nfs/dbraw/zinc/38/96/82/556389682.db2.gz WKLFAOHMOLADIC-UHFFFAOYSA-N 0 0 426.538 3.809 50 0 IHAARN O=C(Nc1cc2c(cc1Br)OCCO2)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000014198484 556389705 /nfs/dbraw/zinc/38/97/05/556389705.db2.gz JNZABHXFHGKAHF-LJQANCHMSA-N 0 0 447.310 3.788 50 0 IHAARN COCC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000012038179 556390221 /nfs/dbraw/zinc/39/02/21/556390221.db2.gz DLIYQBPVBWKQFK-NRFANRHFSA-N 0 0 433.512 3.551 50 0 IHAARN O=C(CCNC(=O)c1ccco1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809455 556394573 /nfs/dbraw/zinc/39/45/73/556394573.db2.gz ASYCYTHLMQPMAZ-UHFFFAOYSA-N 0 0 441.528 3.612 50 0 IHAARN O=C(CCC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)NCc1cccc(Cl)c1 ZINC000012058128 556395011 /nfs/dbraw/zinc/39/50/11/556395011.db2.gz AGJWVPWYQWQLDC-QFIPXVFZSA-N 0 0 426.944 3.979 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012062183 556395459 /nfs/dbraw/zinc/39/54/59/556395459.db2.gz ZAXCZVBFQJSYQS-IBGZPJMESA-N 0 0 436.531 3.950 50 0 IHAARN O=C(Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)N1CCCCC1 ZINC000012062195 556395495 /nfs/dbraw/zinc/39/54/95/556395495.db2.gz CPXFYMLDYCPJTD-IBGZPJMESA-N 0 0 434.515 3.704 50 0 IHAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCCC2)CC1=O ZINC000012062133 556395506 /nfs/dbraw/zinc/39/55/06/556395506.db2.gz MFCCGQVOSMJMTP-SFHVURJKSA-N 0 0 432.524 3.578 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@H](C)O1 ZINC000014227686 556395529 /nfs/dbraw/zinc/39/55/29/556395529.db2.gz LBOACQLDQCQJGL-CALCHBBNSA-N 0 0 446.594 3.627 50 0 IHAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O ZINC000014228397 556395694 /nfs/dbraw/zinc/39/56/94/556395694.db2.gz FCWUPQCXVLLYGK-ICSRJNTNSA-N 0 0 448.592 3.550 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c1 ZINC000014228917 556396103 /nfs/dbraw/zinc/39/61/03/556396103.db2.gz UTGUSBUEXFVOSD-UHFFFAOYSA-N 0 0 438.571 3.743 50 0 IHAARN CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000012074866 556397240 /nfs/dbraw/zinc/39/72/40/556397240.db2.gz IBTHYNZWFWQTCG-HXUWFJFHSA-N 0 0 434.533 3.510 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCc3nnc4ccccn43)c3ccccc3n2)cc1OC ZINC000014230957 556397537 /nfs/dbraw/zinc/39/75/37/556397537.db2.gz SEGRZAARWRZIEV-UHFFFAOYSA-N 0 0 439.475 3.892 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012076477 556397922 /nfs/dbraw/zinc/39/79/22/556397922.db2.gz UAMCTAAUPPAJPC-QFIPXVFZSA-N 0 0 437.565 3.988 50 0 IHAARN O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000014232239 556398231 /nfs/dbraw/zinc/39/82/31/556398231.db2.gz KLLCPYVVQHYDFQ-HXUWFJFHSA-N 0 0 427.545 3.948 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000032813126 556398640 /nfs/dbraw/zinc/39/86/40/556398640.db2.gz KXVQLQDKTLSBDG-FQEVSTJZSA-N 0 0 439.537 3.646 50 0 IHAARN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)oc21 ZINC000032814210 556399371 /nfs/dbraw/zinc/39/93/71/556399371.db2.gz VRYCBSXSINBDTH-HNNXBMFYSA-N 0 0 428.510 3.998 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000014236814 556399640 /nfs/dbraw/zinc/39/96/40/556399640.db2.gz LBGPRPPVKKNNPP-UHFFFAOYSA-N 0 0 430.507 3.546 50 0 IHAARN CCOc1ccc(N[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1S(=O)(=O)N(C)C ZINC000032814600 556400218 /nfs/dbraw/zinc/40/02/18/556400218.db2.gz VRAOPSNZQGADKX-CQSZACIVSA-N 0 0 446.529 3.567 50 0 IHAARN O=C(c1cc2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000014246139 556406055 /nfs/dbraw/zinc/40/60/55/556406055.db2.gz RRQKVJADVZGQOD-UHFFFAOYSA-N 0 0 439.320 3.886 50 0 IHAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000014247166 556407098 /nfs/dbraw/zinc/40/70/98/556407098.db2.gz QLSIFXWFERSIMF-IBGZPJMESA-N 0 0 439.364 3.731 50 0 IHAARN Cc1cccc(NC(=O)C[C@@]23CSc4[nH]c(=O)sc4[C@@H]2c2ccccc2OC3=O)c1 ZINC000032594661 556407643 /nfs/dbraw/zinc/40/76/43/556407643.db2.gz RTYKHDNSCSRPPR-HTAPYJJXSA-N 0 0 438.530 3.917 50 0 IHAARN Cn1c(=O)c2c(-c3ccc(Br)cc3)cc(-c3cccs3)nc2n(C)c1=O ZINC000032655431 556413904 /nfs/dbraw/zinc/41/39/04/556413904.db2.gz FECIGLXSWPJFQT-UHFFFAOYSA-N 0 0 428.311 3.790 50 0 IHAARN COC(=O)c1ccc(COc2ccc([C@@H]3NC(=O)c4ccccc4N3C)cc2OC)cc1 ZINC000032666144 556417348 /nfs/dbraw/zinc/41/73/48/556417348.db2.gz JLDLYACKBOCRHJ-HSZRJFAPSA-N 0 0 432.476 3.939 50 0 IHAARN COC(=O)c1c(CC(C)C)csc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000032832951 556417550 /nfs/dbraw/zinc/41/75/50/556417550.db2.gz UWAIPERDMGUWEU-UHFFFAOYSA-N 0 0 443.500 3.979 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012971523 556418837 /nfs/dbraw/zinc/41/88/37/556418837.db2.gz FTVYQYADECQWMS-UHFFFAOYSA-N 0 0 438.431 3.655 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCC[C@@H](C)O)cnc2n1CCC(C)C ZINC000014533142 556421583 /nfs/dbraw/zinc/42/15/83/556421583.db2.gz BORXPSHUIYMEMW-OAHLLOKOSA-N 0 0 442.516 3.897 50 0 IHAARN COc1cc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)ccc1OCc1ccccc1 ZINC000012975989 556421639 /nfs/dbraw/zinc/42/16/39/556421639.db2.gz UXEUJSGGLREKGS-UHFFFAOYSA-N 0 0 446.425 3.771 50 0 IHAARN CN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1cccs1 ZINC000012977093 556422461 /nfs/dbraw/zinc/42/24/61/556422461.db2.gz RHCASIBXCKUJAT-UHFFFAOYSA-N 0 0 438.477 3.869 50 0 IHAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000012978004 556422714 /nfs/dbraw/zinc/42/27/14/556422714.db2.gz NBQSMIHEYMBLFP-UHFFFAOYSA-N 0 0 435.568 3.666 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc(Cl)nc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012994124 556429722 /nfs/dbraw/zinc/42/97/22/556429722.db2.gz HWYOQUXUUPPTNJ-HXUWFJFHSA-N 0 0 443.956 3.504 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000012993744 556429770 /nfs/dbraw/zinc/42/97/70/556429770.db2.gz RZTLFGFBALGDGO-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012994410 556429914 /nfs/dbraw/zinc/42/99/14/556429914.db2.gz RHUYPZNXIPZELK-DEOSSOPVSA-N 0 0 441.531 3.710 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC ZINC000014627215 556430063 /nfs/dbraw/zinc/43/00/63/556430063.db2.gz XXCNHCDCBCXXKS-VZUCSPMQSA-N 0 0 444.553 3.776 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1NC(C)=O ZINC000012994230 556429953 /nfs/dbraw/zinc/42/99/53/556429953.db2.gz FXXVNUGVQNSHDR-KRWDZBQOSA-N 0 0 431.539 3.789 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012995770 556431072 /nfs/dbraw/zinc/43/10/72/556431072.db2.gz LOGDWKHXBSZCMD-UHFFFAOYSA-N 0 0 449.551 3.983 50 0 IHAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000014671053 556431452 /nfs/dbraw/zinc/43/14/52/556431452.db2.gz BRPPTJGGOILRFJ-LBPRGKRZSA-N 0 0 429.416 3.880 50 0 IHAARN O=C(CSc1ccc(Br)cc1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000014681397 556432190 /nfs/dbraw/zinc/43/21/90/556432190.db2.gz LVUIEGFONXKTQC-UHFFFAOYSA-N 0 0 445.264 3.919 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1 ZINC000032856183 556433792 /nfs/dbraw/zinc/43/37/92/556433792.db2.gz KMYWEJKMANHCNX-UHFFFAOYSA-N 0 0 444.553 3.996 50 0 IHAARN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000027832661 556433918 /nfs/dbraw/zinc/43/39/18/556433918.db2.gz ZFHIORARLSJFHL-UHFFFAOYSA-N 0 0 430.479 3.963 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cs2)cc1 ZINC000013004040 556434448 /nfs/dbraw/zinc/43/44/48/556434448.db2.gz PONASSKRBNEPNY-UHFFFAOYSA-N 0 0 437.521 3.505 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC000013015366 556437320 /nfs/dbraw/zinc/43/73/20/556437320.db2.gz DWBDIJSOSKBKHL-UHFFFAOYSA-N 0 0 430.302 3.890 50 0 IHAARN COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000028055947 556443184 /nfs/dbraw/zinc/44/31/84/556443184.db2.gz HYUNDGOAXFCDOX-UHFFFAOYSA-N 0 0 431.432 3.956 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013037769 556443292 /nfs/dbraw/zinc/44/32/92/556443292.db2.gz PXPVTGQTQBIJGN-LJQANCHMSA-N 0 0 444.535 3.935 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CC=C(c3ccccc3)CC2)c1 ZINC000013038087 556443828 /nfs/dbraw/zinc/44/38/28/556443828.db2.gz DFAIWFJNHDJRQS-UHFFFAOYSA-N 0 0 441.597 3.753 50 0 IHAARN CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2cccc(F)c2)N(c2ccccc2)N1 ZINC000013038467 556444151 /nfs/dbraw/zinc/44/41/51/556444151.db2.gz BIJDFFJLLUNDSO-XZOQPEGZSA-N 0 0 440.478 3.945 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 ZINC000032859534 556445887 /nfs/dbraw/zinc/44/58/87/556445887.db2.gz CDPIBTPOIFRGLP-OSPHWJPCSA-N 0 0 437.565 3.847 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 ZINC000013040732 556446536 /nfs/dbraw/zinc/44/65/36/556446536.db2.gz GLPUAPWOTLZISM-HXUWFJFHSA-N 0 0 449.551 3.807 50 0 IHAARN CN(c1ccc(OC(=O)Cc2noc3ccccc32)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000028244393 556446550 /nfs/dbraw/zinc/44/65/50/556446550.db2.gz DTIBMPHNLRMQJX-UHFFFAOYSA-N 0 0 440.452 3.940 50 0 IHAARN CC(=O)N[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)C1CCCC1 ZINC000032860359 556447266 /nfs/dbraw/zinc/44/72/66/556447266.db2.gz DOQNYXXSTYVXKX-FQEVSTJZSA-N 0 0 429.542 3.874 50 0 IHAARN COC[C@@H](C)NC(=S)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000013057970 556449478 /nfs/dbraw/zinc/44/94/78/556449478.db2.gz USQITYHTFRBVAH-DNVCBOLYSA-N 0 0 427.570 3.816 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@H]2c2cccs2)cc1 ZINC000013062984 556451349 /nfs/dbraw/zinc/45/13/49/556451349.db2.gz YIYIFXGTUDAHMS-UGKGYDQZSA-N 0 0 444.520 3.765 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 ZINC000013072323 556454071 /nfs/dbraw/zinc/45/40/71/556454071.db2.gz QKLNJFVMZZFWGD-UHFFFAOYSA-N 0 0 429.542 3.979 50 0 IHAARN O=C([C@@H]1CC12CCN(Cc1c(F)cccc1F)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000014886101 556455517 /nfs/dbraw/zinc/45/55/17/556455517.db2.gz BLOBIDJPPGVDSH-QFIPXVFZSA-N 0 0 439.550 3.911 50 0 IHAARN O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1ccccc1C(F)(F)F ZINC000014888464 556455857 /nfs/dbraw/zinc/45/58/57/556455857.db2.gz UXARWULKMXQQPI-INIZCTEOSA-N 0 0 436.430 3.882 50 0 IHAARN O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000028609775 556457065 /nfs/dbraw/zinc/45/70/65/556457065.db2.gz DKVAPPOJMMUESB-XMMPIXPASA-N 0 0 437.536 3.883 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000013098853 556459404 /nfs/dbraw/zinc/45/94/04/556459404.db2.gz ROHKHMMDPRCUDZ-OALUTQOASA-N 0 0 433.508 3.751 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccccc1Cn1cccn1 ZINC000028794500 556461123 /nfs/dbraw/zinc/46/11/23/556461123.db2.gz PIJXNIXJFBDFQO-UHFFFAOYSA-N 0 0 427.480 3.912 50 0 IHAARN Cc1oc(NC(=O)COC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000013108084 556461676 /nfs/dbraw/zinc/46/16/76/556461676.db2.gz XCKTUVJHTPPUJM-INIZCTEOSA-N 0 0 431.876 3.708 50 0 IHAARN O=C1c2cccc3c2c(nn3C[C@@H](O)COCc2ccc3c(c2)OCO3)-c2ccccc21 ZINC000028917222 556463770 /nfs/dbraw/zinc/46/37/70/556463770.db2.gz HVAORZJOPLDHSN-MRXNPFEDSA-N 0 0 428.444 3.554 50 0 IHAARN COc1ccc(OC[C@H]2CCCN(C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 ZINC000014967720 556466056 /nfs/dbraw/zinc/46/60/56/556466056.db2.gz VCNLPQOCVUPGEM-UQBPGWFLSA-N 0 0 440.540 3.577 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000013113398 556466556 /nfs/dbraw/zinc/46/65/56/556466556.db2.gz JPFCXYKTIZDQKH-RNODOKPDSA-N 0 0 441.450 3.933 50 0 IHAARN CC(=O)Nc1cc(C(=O)N(C)CC[C@@H]2CCCCO2)cc2ncn(CCc3ccccn3)c21 ZINC000014969743 556466738 /nfs/dbraw/zinc/46/67/38/556466738.db2.gz HRQHOHSAESIKAY-NRFANRHFSA-N 0 0 449.555 3.664 50 0 IHAARN CC[C@@H](Nc1ncnc2sc(C(=O)N3CCCN(C=O)CC3)c(C)c21)c1cccs1 ZINC000014971560 556467119 /nfs/dbraw/zinc/46/71/19/556467119.db2.gz YNUPDDDUDHRYAT-OAHLLOKOSA-N 0 0 443.598 3.929 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2N1S(C)(=O)=O ZINC000013114764 556467280 /nfs/dbraw/zinc/46/72/80/556467280.db2.gz AYPQBYGQMIMGFM-CQSZACIVSA-N 0 0 428.510 3.691 50 0 IHAARN COc1ccc(C)cc1C(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c21 ZINC000029187960 556469666 /nfs/dbraw/zinc/46/96/66/556469666.db2.gz SVLUQBZOIBDMGT-UHFFFAOYSA-N 0 0 439.537 3.955 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)sc2C)cc1 ZINC000013119991 556471993 /nfs/dbraw/zinc/47/19/93/556471993.db2.gz SCSYBPJCBUCRKA-UHFFFAOYSA-N 0 0 442.541 3.663 50 0 IHAARN O=C(COc1ccc2oc3ccccc3c2c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000029360605 556473248 /nfs/dbraw/zinc/47/32/48/556473248.db2.gz RSYAHVQEDHZWPO-QGZVFWFLSA-N 0 0 427.522 3.923 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000029481823 556476509 /nfs/dbraw/zinc/47/65/09/556476509.db2.gz DESLBESSUYCITQ-HNNXBMFYSA-N 0 0 443.594 3.836 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)nc2n1 ZINC000013128216 556477461 /nfs/dbraw/zinc/47/74/61/556477461.db2.gz MNPWCJLGNADOBV-SFHVURJKSA-N 0 0 427.530 3.940 50 0 IHAARN Cc1ccsc1C(=O)NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 ZINC000015001142 556479836 /nfs/dbraw/zinc/47/98/36/556479836.db2.gz IYBPOZCRUYDATH-KRWDZBQOSA-N 0 0 428.583 3.897 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000029690915 556480118 /nfs/dbraw/zinc/48/01/18/556480118.db2.gz WEFPMRJPGFMINU-UHFFFAOYSA-N 0 0 443.507 3.870 50 0 IHAARN Cc1ccn(CC(=O)NCc2nnc(SCC3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000015001571 556480120 /nfs/dbraw/zinc/48/01/20/556480120.db2.gz GYLRRDZSOOCJRL-UHFFFAOYSA-N 0 0 442.564 3.900 50 0 IHAARN O=C(Cc1ccc2ccccc2c1)N1CCC2(CC[C@H](CNC(=O)c3ccccn3)O2)CC1 ZINC000015002503 556480390 /nfs/dbraw/zinc/48/03/90/556480390.db2.gz CVYYZHACDHPRET-HSZRJFAPSA-N 0 0 443.547 3.748 50 0 IHAARN CCOCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000015003527 556480911 /nfs/dbraw/zinc/48/09/11/556480911.db2.gz GCBNRQYAPRRVRN-UHFFFAOYSA-N 0 0 431.540 3.852 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2O1 ZINC000029767322 556481839 /nfs/dbraw/zinc/48/18/39/556481839.db2.gz NDZVLTKIRQMVDD-VIFPVBQESA-N 0 0 435.094 3.849 50 0 IHAARN CNC(=O)[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2O1 ZINC000029767553 556482137 /nfs/dbraw/zinc/48/21/37/556482137.db2.gz RLKJLZAUOIVCKE-OAHLLOKOSA-N 0 0 432.320 3.878 50 0 IHAARN COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000015010641 556482996 /nfs/dbraw/zinc/48/29/96/556482996.db2.gz YQOSVQRPDIMSLO-DHDCSXOGSA-N 0 0 433.327 3.724 50 0 IHAARN Cn1cc([C@@H]2[C@@H](c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CCC(=O)N2C)cn1 ZINC000072289743 556483349 /nfs/dbraw/zinc/48/33/49/556483349.db2.gz PKQZWCCWQMZPAM-RBBKRZOGSA-N 0 0 444.495 3.521 50 0 IHAARN CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000029845986 556484247 /nfs/dbraw/zinc/48/42/47/556484247.db2.gz SOKYFYHJCFUCQR-FQEVSTJZSA-N 0 0 426.563 3.543 50 0 IHAARN Cc1occc1-c1nnc(SCc2nn3c(nc(C)cc3=O)s2)n1-c1ccccc1 ZINC000029845199 556484277 /nfs/dbraw/zinc/48/42/77/556484277.db2.gz PVJMCZYIXOVGTO-UHFFFAOYSA-N 0 0 436.522 3.901 50 0 IHAARN Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 ZINC000013138733 556485356 /nfs/dbraw/zinc/48/53/56/556485356.db2.gz WCBBGLPOSVFRTK-DVECYGJZSA-N 0 0 434.517 3.939 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015018945 556487202 /nfs/dbraw/zinc/48/72/02/556487202.db2.gz LPNFOJRCLDMBGG-UHFFFAOYSA-N 0 0 434.521 3.940 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)Cc3nc(-c4cccs4)oc3C)CC2)c1 ZINC000029984429 556487971 /nfs/dbraw/zinc/48/79/71/556487971.db2.gz YYZQRVOFQFNPFD-UHFFFAOYSA-N 0 0 441.553 3.616 50 0 IHAARN CC1CCN(c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2C2CC2)CC1 ZINC000032876411 556488374 /nfs/dbraw/zinc/48/83/74/556488374.db2.gz WZYFHKLCVBSKOL-HXUWFJFHSA-N 0 0 441.601 3.542 50 0 IHAARN CC1CCN(c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2C2CC2)CC1 ZINC000032876412 556488448 /nfs/dbraw/zinc/48/84/48/556488448.db2.gz WZYFHKLCVBSKOL-FQEVSTJZSA-N 0 0 441.601 3.542 50 0 IHAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3ccc(C(=O)OC)cc3)cc2)c1C ZINC000013148504 556490022 /nfs/dbraw/zinc/49/00/22/556490022.db2.gz GNWLVFPNRDLEFE-UHFFFAOYSA-N 0 0 436.464 3.601 50 0 IHAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cn3cccc(C)c3n2)C1 ZINC000015063408 556491441 /nfs/dbraw/zinc/49/14/41/556491441.db2.gz JLLLNCPWHGRXBS-RUZDIDTESA-N 0 0 435.524 3.680 50 0 IHAARN C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000030346744 556493280 /nfs/dbraw/zinc/49/32/80/556493280.db2.gz MAXCGLYJCQQCMP-WIYYLYMNSA-N 0 0 437.569 3.562 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)c(C)c1 ZINC000015067097 556493445 /nfs/dbraw/zinc/49/34/45/556493445.db2.gz AKTWEDNSHGSREY-KRWDZBQOSA-N 0 0 440.569 3.913 50 0 IHAARN Cc1ccccc1-n1c(SCc2noc(-c3cccs3)n2)nnc1N1CCOCC1 ZINC000030510999 556495826 /nfs/dbraw/zinc/49/58/26/556495826.db2.gz SVCBLRRLLCELLL-UHFFFAOYSA-N 0 0 440.554 3.816 50 0 IHAARN CC(C)N1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)CC1 ZINC000015071055 556495736 /nfs/dbraw/zinc/49/57/36/556495736.db2.gz ALYFGCAGRGMNMO-UHFFFAOYSA-N 0 0 434.519 3.512 50 0 IHAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 ZINC000030541310 556497350 /nfs/dbraw/zinc/49/73/50/556497350.db2.gz CYRSEACCMOKZGK-IBGZPJMESA-N 0 0 436.537 3.898 50 0 IHAARN COc1ccc(C2=NN(C(=O)CSc3nnc4ccccn43)[C@H](c3ccco3)C2)cc1 ZINC000013164869 556497760 /nfs/dbraw/zinc/49/77/60/556497760.db2.gz VDWNZCWJSUSNFS-SFHVURJKSA-N 0 0 433.493 3.801 50 0 IHAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000030563281 556498041 /nfs/dbraw/zinc/49/80/41/556498041.db2.gz KVCDZHRAWJOKRN-UHFFFAOYSA-N 0 0 428.514 3.752 50 0 IHAARN O=C1/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccccc1F ZINC000013204950 556498644 /nfs/dbraw/zinc/49/86/44/556498644.db2.gz PIKKTRFDKUIBIE-QZQOTICOSA-N 0 0 427.460 3.513 50 0 IHAARN CN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)C1=O ZINC000013208714 556498986 /nfs/dbraw/zinc/49/89/86/556498986.db2.gz KAEILQRPOWMMOY-ATJXCDBQSA-N 0 0 435.508 3.984 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4sc(=O)[nH]c4c2)[C@@H]3CCC1 ZINC000015083488 556501912 /nfs/dbraw/zinc/50/19/12/556501912.db2.gz ZTLPUYUNDYXFCS-LJQANCHMSA-N 0 0 439.562 3.935 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc(OC)c1OC ZINC000015083824 556501962 /nfs/dbraw/zinc/50/19/62/556501962.db2.gz RQUPTNLJPPVGSN-LBPRGKRZSA-N 0 0 429.864 3.774 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000015095866 556503222 /nfs/dbraw/zinc/50/32/22/556503222.db2.gz IPWNRQFQDQDYKR-AWEZNQCLSA-N 0 0 428.418 3.855 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1 ZINC000015177250 556508183 /nfs/dbraw/zinc/50/81/83/556508183.db2.gz YIUOAIRZUKRLGF-UHFFFAOYSA-N 0 0 430.570 3.981 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000032882947 556509295 /nfs/dbraw/zinc/50/92/95/556509295.db2.gz QFOHCBQSNQOKEI-UHFFFAOYSA-N 0 0 444.944 3.686 50 0 IHAARN COc1ccc(-c2nc(COc3ccccc3C(=O)N3CCOCC3)cs2)cc1OC ZINC000032883589 556509610 /nfs/dbraw/zinc/50/96/10/556509610.db2.gz LLLQXPIHCHWVFE-UHFFFAOYSA-N 0 0 440.521 3.879 50 0 IHAARN CC(=O)c1ccc(-c2ccc(C=c3sc4nc(-c5ccc(F)cc5)nn4c3=O)o2)cc1 ZINC000013512304 556510554 /nfs/dbraw/zinc/51/05/54/556510554.db2.gz RPLNTVNSIQSZOK-NDENLUEZSA-N 0 0 431.448 3.967 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccc(F)cc1 ZINC000013512819 556510830 /nfs/dbraw/zinc/51/08/30/556510830.db2.gz DSTOYHJTYQAJIQ-ODAXIHTASA-N 0 0 439.446 3.576 50 0 IHAARN COc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br ZINC000030860427 556511026 /nfs/dbraw/zinc/51/10/26/556511026.db2.gz PKQFJHXTPSVQKS-OQFOIZHKSA-N 0 0 445.313 3.582 50 0 IHAARN CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013513660 556511131 /nfs/dbraw/zinc/51/11/31/556511131.db2.gz GHXIYYWRSTUPLT-FQEVSTJZSA-N 0 0 435.973 3.806 50 0 IHAARN O=C(CCn1c(=O)oc2ccccc21)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000032889150 556511809 /nfs/dbraw/zinc/51/18/09/556511809.db2.gz CPMFDNGROREEMA-UHFFFAOYSA-N 0 0 434.492 3.610 50 0 IHAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NC[C@H]4CCCO4)ccc3c2=O)cc1 ZINC000013550653 556514943 /nfs/dbraw/zinc/51/49/43/556514943.db2.gz YXMJNLVBOXLTFW-LJQANCHMSA-N 0 0 439.464 3.576 50 0 IHAARN CC(C)Oc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030940277 556516266 /nfs/dbraw/zinc/51/62/66/556516266.db2.gz OKXVRNUAAYOIQP-LJQANCHMSA-N 0 0 438.933 3.683 50 0 IHAARN Cc1sc2ncn(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(=O)c2c1C ZINC000032898758 556516462 /nfs/dbraw/zinc/51/64/62/556516462.db2.gz LBBXTQNCFGNZPR-QGZVFWFLSA-N 0 0 439.537 3.600 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000032892867 556520397 /nfs/dbraw/zinc/52/03/97/556520397.db2.gz KMRPSFQVQMFSSQ-KRWDZBQOSA-N 0 0 433.434 3.675 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)C2)cc1 ZINC000072298162 556521423 /nfs/dbraw/zinc/52/14/23/556521423.db2.gz XVVZVZIGFPCDAJ-HXUWFJFHSA-N 0 0 443.588 3.705 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@](C)(c3ccc(F)cc3)N(C)C)CC2)cc1F ZINC000072301554 556525185 /nfs/dbraw/zinc/52/51/85/556525185.db2.gz INWMREOBHDUHPJ-VWLOTQADSA-N 0 0 443.538 3.605 50 0 IHAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CCC(=O)N4CCCCCC4)ccc32)c1 ZINC000064978319 556528728 /nfs/dbraw/zinc/52/87/28/556528728.db2.gz HYHVGRRCCUCCNV-UHFFFAOYSA-N 0 0 447.579 3.997 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000013591012 556529119 /nfs/dbraw/zinc/52/91/19/556529119.db2.gz WUOXUMCZTWXYRA-MWJXAHRXSA-N 0 0 444.556 3.772 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000013591020 556529417 /nfs/dbraw/zinc/52/94/17/556529417.db2.gz TVELGFXONBTXQH-SPJTZBOBSA-N 0 0 436.558 3.525 50 0 IHAARN CC(C)[C@H](C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000013592415 556530322 /nfs/dbraw/zinc/53/03/22/556530322.db2.gz IYGAZHAPPDUUDM-WAIKUNEKSA-N 0 0 448.519 3.614 50 0 IHAARN CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCCCc1ccccc1 ZINC000013592367 556530357 /nfs/dbraw/zinc/53/03/57/556530357.db2.gz AWUXCZWSTDTHLR-NRFANRHFSA-N 0 0 433.556 3.730 50 0 IHAARN COc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1=O ZINC000032721399 556532345 /nfs/dbraw/zinc/53/23/45/556532345.db2.gz MVFCYSPGXLZFIO-MOPGFXCFSA-N 0 0 436.508 3.573 50 0 IHAARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1C ZINC000013601931 556532688 /nfs/dbraw/zinc/53/26/88/556532688.db2.gz VSKJDWYVJYLRDV-QGZVFWFLSA-N 0 0 437.290 3.634 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(=O)CC)C2=O)cc1 ZINC000013615949 556535244 /nfs/dbraw/zinc/53/52/44/556535244.db2.gz PZZOEURAEANBAW-JOCHJYFZSA-N 0 0 438.524 3.597 50 0 IHAARN CCc1cc2oc(=O)cc(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)c2cc1Cl ZINC000032719368 556537024 /nfs/dbraw/zinc/53/70/24/556537024.db2.gz OAVLQPCKAWZMAT-IBGZPJMESA-N 0 0 427.840 3.842 50 0 IHAARN COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(OC)c1Br ZINC000011084052 556537249 /nfs/dbraw/zinc/53/72/49/556537249.db2.gz KDGUSCPTKAQUCU-UHFFFAOYSA-N 0 0 444.329 3.983 50 0 IHAARN O=C(NC1CCCCC1)C1(N(Cc2cccs2)C(=O)[C@@H]2CCC(=O)N2)CCCCC1 ZINC000004571627 556537678 /nfs/dbraw/zinc/53/76/78/556537678.db2.gz IYQKNFSWDNPGJN-IBGZPJMESA-N 0 0 431.602 3.507 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 ZINC000032581079 556541860 /nfs/dbraw/zinc/54/18/60/556541860.db2.gz UHMUMENMDANTDT-UHFFFAOYSA-N 0 0 438.597 3.817 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CCc2ccccn2)CC1 ZINC000015669928 556541914 /nfs/dbraw/zinc/54/19/14/556541914.db2.gz XWAQUZWCPMBWGH-UHFFFAOYSA-N 0 0 428.330 3.899 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCCC1 ZINC000013653837 556545753 /nfs/dbraw/zinc/54/57/53/556545753.db2.gz KJKZIICVYLTVOA-IBGZPJMESA-N 0 0 430.936 3.513 50 0 IHAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NC3CCCCC3)cc1)c2=O ZINC000032959275 556546373 /nfs/dbraw/zinc/54/63/73/556546373.db2.gz DWZFSLPMVRQMLT-UHFFFAOYSA-N 0 0 437.521 3.524 50 0 IHAARN CC(C)(C)OC(=O)CCCCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000072303191 556547210 /nfs/dbraw/zinc/54/72/10/556547210.db2.gz FRXTWRLHNZUMQT-UHFFFAOYSA-N 0 0 441.366 3.587 50 0 IHAARN C[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000072304661 556549207 /nfs/dbraw/zinc/54/92/07/556549207.db2.gz DUWZCCPOHISXAY-RXVVDRJESA-N 0 0 430.570 3.997 50 0 IHAARN O=C(CCn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCc1ccc(Cl)cc1 ZINC000032933608 556549501 /nfs/dbraw/zinc/54/95/01/556549501.db2.gz AOIAANSHLATJNW-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000032998347 556552284 /nfs/dbraw/zinc/55/22/84/556552284.db2.gz QAUHBWXSLSINKU-UHFFFAOYSA-N 0 0 436.464 3.982 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000032906607 556553493 /nfs/dbraw/zinc/55/34/93/556553493.db2.gz OLCPIGRPAPWQTG-CYBMUJFWSA-N 0 0 445.317 3.529 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000015823027 556554251 /nfs/dbraw/zinc/55/42/51/556554251.db2.gz NZLUYSPSQCHWON-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCc1ccc2c(c1)OCO2 ZINC000013681845 556557049 /nfs/dbraw/zinc/55/70/49/556557049.db2.gz OSKZUAXELWWCIQ-UHFFFAOYSA-N 0 0 445.427 3.590 50 0 biogenic IHAARN CCCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 ZINC000015849533 556557355 /nfs/dbraw/zinc/55/73/55/556557355.db2.gz YVYDIXIMRRHZDQ-CYBMUJFWSA-N 0 0 443.594 3.951 50 0 IHAARN CCC[C@@](C)(CCCNC(=O)Cn1c(=S)[nH]nc1-c1ccc(C)cc1)C1OCCO1 ZINC000072306510 556557379 /nfs/dbraw/zinc/55/73/79/556557379.db2.gz RCVINIXSNGRIQA-QFIPXVFZSA-N 0 0 432.590 3.992 50 0 IHAARN Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)NCCC(C)C)nn12 ZINC000033274337 556558234 /nfs/dbraw/zinc/55/82/34/556558234.db2.gz KUBVOSFLOHVJSS-UHFFFAOYSA-N 0 0 437.931 3.830 50 0 IHAARN O=C(CCNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)NC1CCCCC1 ZINC000072307096 556561276 /nfs/dbraw/zinc/56/12/76/556561276.db2.gz WMYMXAKEFZTSSG-HXUWFJFHSA-N 0 0 436.394 3.541 50 0 IHAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000015882065 556561260 /nfs/dbraw/zinc/56/12/60/556561260.db2.gz SDWKAGFGMLYXCB-UHFFFAOYSA-N 0 0 440.916 3.508 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)c(Br)c1 ZINC000072307856 556563165 /nfs/dbraw/zinc/56/31/65/556563165.db2.gz CULFPBDGYMAXNL-UHFFFAOYSA-N 0 0 433.302 3.775 50 0 IHAARN CCOc1ccc(CCNC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OCC ZINC000015934869 556565729 /nfs/dbraw/zinc/56/57/29/556565729.db2.gz ZJQVONBIRKUSSO-UHFFFAOYSA-N 0 0 434.949 3.860 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c1 ZINC000015972561 556569989 /nfs/dbraw/zinc/56/99/89/556569989.db2.gz QAPLYOLNSIOZEF-CVDCTZTESA-N 0 0 434.473 3.846 50 0 IHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000015997148 556572080 /nfs/dbraw/zinc/57/20/80/556572080.db2.gz RUYVAFFXZJWACZ-CQSZACIVSA-N 0 0 429.926 3.919 50 0 IHAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 ZINC000015996827 556572087 /nfs/dbraw/zinc/57/20/87/556572087.db2.gz VHQFEOKLKPIXQD-OAHLLOKOSA-N 0 0 427.498 3.795 50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccn1 ZINC000000886865 556573533 /nfs/dbraw/zinc/57/35/33/556573533.db2.gz PUTBDKXKMNRBAX-UHFFFAOYSA-N 0 0 449.454 3.612 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000016020821 556574929 /nfs/dbraw/zinc/57/49/29/556574929.db2.gz NNVCKKWETVELFA-OFVILXPXSA-N 0 0 428.444 3.785 50 0 IHAARN CCc1ccc([C@@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032910435 556575617 /nfs/dbraw/zinc/57/56/17/556575617.db2.gz YLWDNPXGXVXZRB-OAHLLOKOSA-N 0 0 433.537 3.641 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 ZINC000032909629 556576594 /nfs/dbraw/zinc/57/65/94/556576594.db2.gz AUANKPDQOMTSDM-OAHLLOKOSA-N 0 0 448.488 3.789 50 0 IHAARN CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016035169 556577366 /nfs/dbraw/zinc/57/73/66/556577366.db2.gz ZSZIGROPSJVVEQ-FUMNGEBKSA-N 0 0 437.293 3.554 50 0 IHAARN N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004030278 556578924 /nfs/dbraw/zinc/57/89/24/556578924.db2.gz UJSLSNXUUPPBOU-UHFFFAOYSA-N 0 0 440.547 3.804 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1OC ZINC000016046195 556580142 /nfs/dbraw/zinc/58/01/42/556580142.db2.gz USDCKSIVDVKCAR-UHFFFAOYSA-N 0 0 442.516 3.845 50 0 IHAARN O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC000060240660 556580374 /nfs/dbraw/zinc/58/03/74/556580374.db2.gz VOHWRWIPCGFJTP-UHFFFAOYSA-N 0 0 433.382 3.886 50 0 IHAARN C[C@H](OC(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000016050802 556581286 /nfs/dbraw/zinc/58/12/86/556581286.db2.gz MGVPKEDLJJCVLC-FOKSMMDQSA-N 0 0 436.233 3.901 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)COc1ccc(NC(=O)c3ccccc3)cc1)OCO2 ZINC000032910859 556581724 /nfs/dbraw/zinc/58/17/24/556581724.db2.gz XLWGVBCSNFZHBW-UHFFFAOYSA-N 0 0 432.432 3.888 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000034872009 556584773 /nfs/dbraw/zinc/58/47/73/556584773.db2.gz YQXMYIKKCPMNQP-ZHALLVOQSA-N 0 0 428.554 3.828 50 0 IHAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000032912015 556585601 /nfs/dbraw/zinc/58/56/01/556585601.db2.gz CTUBIVIODFNHMZ-OAQYLSRUSA-N 0 0 443.931 3.888 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1C ZINC000016167739 556586975 /nfs/dbraw/zinc/58/69/75/556586975.db2.gz NFZGXAIQCALCKF-UHFFFAOYSA-N 0 0 425.481 3.843 50 0 IHAARN CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000016192403 556588759 /nfs/dbraw/zinc/58/87/59/556588759.db2.gz IVYVQTXBSPXISC-UHFFFAOYSA-N 0 0 441.355 3.647 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000036083775 556592768 /nfs/dbraw/zinc/59/27/68/556592768.db2.gz GJIQTBVPRHYDIY-JOCHJYFZSA-N 0 0 440.496 3.605 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1)n2C ZINC000100860564 556597739 /nfs/dbraw/zinc/59/77/39/556597739.db2.gz IRIWLXHPDPIDTH-LSJZCYCUSA-N 0 0 443.594 3.710 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)CC1 ZINC000100861232 556598057 /nfs/dbraw/zinc/59/80/57/556598057.db2.gz MAMMVRWTDOEWMF-XTQSDGFTSA-N 0 0 447.557 3.541 50 0 IHAARN COc1cccc(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2N)c1 ZINC000036646121 556599657 /nfs/dbraw/zinc/59/96/57/556599657.db2.gz URFCQACGMMGRQW-UHFFFAOYSA-N 0 0 441.509 3.962 50 0 IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000032975627 556600176 /nfs/dbraw/zinc/60/01/76/556600176.db2.gz IPQVPYRLCBGEJU-SLFFLAALSA-N 0 0 432.586 3.623 50 0 IHAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000016322620 556600625 /nfs/dbraw/zinc/60/06/25/556600625.db2.gz PKQBYUJQHJQCLS-UHFFFAOYSA-N 0 0 432.904 3.759 50 0 IHAARN CN(CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000016333993 556600828 /nfs/dbraw/zinc/60/08/28/556600828.db2.gz ROBOWCPRCXTXJM-UHFFFAOYSA-N 0 0 427.854 3.888 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000032981843 556601017 /nfs/dbraw/zinc/60/10/17/556601017.db2.gz BCTFLCNTQJQUOR-INIZCTEOSA-N 0 0 446.532 3.778 50 0 IHAARN CCOC(=O)[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC1CC1 ZINC000004587902 556601031 /nfs/dbraw/zinc/60/10/31/556601031.db2.gz PAEMPLDCUKHUBY-FQEVSTJZSA-N 0 0 426.557 3.823 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016372330 556603554 /nfs/dbraw/zinc/60/35/54/556603554.db2.gz OWRJDTIORAALDE-LJQCHSNASA-N 0 0 433.543 3.946 50 0 IHAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000032985972 556605490 /nfs/dbraw/zinc/60/54/90/556605490.db2.gz NGPDGMCRRQIEFL-UHFFFAOYSA-N 0 0 427.489 3.920 50 0 IHAARN CCOc1cc(C(=O)Nc2sccc2C(=O)N2CCOCC2)cc(OCC)c1OCC ZINC000016400596 556605552 /nfs/dbraw/zinc/60/55/52/556605552.db2.gz QVNQMRJJHSLQTG-UHFFFAOYSA-N 0 0 448.541 3.669 50 0 IHAARN CN(CC(=O)Nc1ccccc1SC(F)F)S(=O)(=O)c1ccc(Cl)s1 ZINC000032986543 556606231 /nfs/dbraw/zinc/60/62/31/556606231.db2.gz CEBPKEODOZTKKV-UHFFFAOYSA-N 0 0 426.919 3.975 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1ccccc1F ZINC000032987279 556607229 /nfs/dbraw/zinc/60/72/29/556607229.db2.gz KIYAFJVNZLRCNT-UHFFFAOYSA-N 0 0 434.493 3.618 50 0 IHAARN Cc1ccc(CNC(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000032987516 556607656 /nfs/dbraw/zinc/60/76/56/556607656.db2.gz NZXSKFCAWARYFE-UHFFFAOYSA-N 0 0 430.917 3.585 50 0 IHAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000032988513 556608736 /nfs/dbraw/zinc/60/87/36/556608736.db2.gz OPLORMVTQYYCKP-NRFANRHFSA-N 0 0 436.943 3.563 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cnc12 ZINC000016470743 556609690 /nfs/dbraw/zinc/60/96/90/556609690.db2.gz KXKQWBLHWLIULP-UHFFFAOYSA-N 0 0 441.413 3.938 50 0 IHAARN CCN1CCN(c2ccc(NC(=O)c3cc(-n4cnnc4)ccc3Cl)cc2Cl)CC1 ZINC000016475347 556610373 /nfs/dbraw/zinc/61/03/73/556610373.db2.gz YZAINGWXWJWEIT-UHFFFAOYSA-N 0 0 445.354 3.968 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1Cl ZINC000016475453 556610375 /nfs/dbraw/zinc/61/03/75/556610375.db2.gz JHIXETMHJRPZKV-UHFFFAOYSA-N 0 0 436.961 3.552 50 0 IHAARN COc1ccc([C@H](NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c2nccn2C)cc1 ZINC000016476742 556610760 /nfs/dbraw/zinc/61/07/60/556610760.db2.gz IQEDPWASUCASGV-DEOSSOPVSA-N 0 0 445.519 3.990 50 0 IHAARN CCc1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 ZINC000032996072 556611181 /nfs/dbraw/zinc/61/11/81/556611181.db2.gz LXXIOQAGNDCZGT-UHFFFAOYSA-N 0 0 435.509 3.711 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccccc4Cl)cc3=O)s2)cc1 ZINC000032996070 556611242 /nfs/dbraw/zinc/61/12/42/556611242.db2.gz DUYANYCOZFIOTJ-UHFFFAOYSA-N 0 0 441.900 3.802 50 0 IHAARN O=C(c1ccc(CS(=O)(=O)Cc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000016488092 556611920 /nfs/dbraw/zinc/61/19/20/556611920.db2.gz HETZSKCMNADMNT-UHFFFAOYSA-N 0 0 448.588 3.760 50 0 IHAARN COc1ccc(-c2csc3c2ncn(CC(=O)NCCCc2ccccc2)c3=O)cc1 ZINC000038487054 556612893 /nfs/dbraw/zinc/61/28/93/556612893.db2.gz MHFPEBAQPWXZHK-UHFFFAOYSA-N 0 0 433.533 3.883 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000032916145 556613522 /nfs/dbraw/zinc/61/35/22/556613522.db2.gz GMCIVTBBINKUJG-UHFFFAOYSA-N 0 0 435.434 3.775 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000016684859 556625082 /nfs/dbraw/zinc/62/50/82/556625082.db2.gz YPWKTGYOVYPOHA-UHFFFAOYSA-N 0 0 437.887 3.651 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)o1 ZINC000097937983 556627766 /nfs/dbraw/zinc/62/77/66/556627766.db2.gz SEQZPPBYQZQKIC-UHFFFAOYSA-N 0 0 443.511 3.608 50 0 IHAARN COc1ccc(C)cc1NC(=O)N1CCN(c2ncccc2-c2nnc(C(C)C)o2)CC1 ZINC000097937987 556627786 /nfs/dbraw/zinc/62/77/86/556627786.db2.gz PDDFUBUCJJHCNR-UHFFFAOYSA-N 0 0 436.516 3.926 50 0 IHAARN Cc1nc(N2CCC[C@@H]2C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nc2ccccc12 ZINC000039354694 556628013 /nfs/dbraw/zinc/62/80/13/556628013.db2.gz CJIDCAXVMAMRCN-JWQCQUIFSA-N 0 0 444.579 3.749 50 0 IHAARN COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccs2)cc1 ZINC000016695234 556628627 /nfs/dbraw/zinc/62/86/27/556628627.db2.gz RDBQVYBINLBOQS-UHFFFAOYSA-N 0 0 428.535 3.541 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 ZINC000039445063 556628652 /nfs/dbraw/zinc/62/86/52/556628652.db2.gz WWMWWGCOHBQQFD-HNNXBMFYSA-N 0 0 426.941 3.678 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000039709235 556629822 /nfs/dbraw/zinc/62/98/22/556629822.db2.gz VFLMENVMROGMDI-UHFFFAOYSA-N 0 0 445.928 3.886 50 0 IHAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 ZINC000033767671 556631252 /nfs/dbraw/zinc/63/12/52/556631252.db2.gz AVRNXAYFHJFLFS-RZFJZAQRSA-N 0 0 438.568 3.688 50 0 biogenic IHAARN COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1 ZINC000100619844 556632228 /nfs/dbraw/zinc/63/22/28/556632228.db2.gz ZBXCMYNTZTWTQX-HSZRJFAPSA-N 0 0 428.488 3.712 50 0 IHAARN COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC ZINC000016735449 556633053 /nfs/dbraw/zinc/63/30/53/556633053.db2.gz QQSSTNRKEOOCOU-AWTFBBCTSA-N 0 0 425.897 3.540 50 0 IHAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016741910 556635742 /nfs/dbraw/zinc/63/57/42/556635742.db2.gz LGJGIZZAECFYND-DEOSSOPVSA-N 0 0 446.547 3.931 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016742556 556636663 /nfs/dbraw/zinc/63/66/63/556636663.db2.gz WXVMEADKLUQYDU-INIZCTEOSA-N 0 0 442.002 3.921 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](CC(C)=C[C@H]4C)C3=O)cc2)cc1 ZINC000100649050 556639594 /nfs/dbraw/zinc/63/95/94/556639594.db2.gz PADVOKDFVJTERK-KBJGYGKASA-N 0 0 431.492 3.989 50 0 IHAARN CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000409415134 556641666 /nfs/dbraw/zinc/64/16/66/556641666.db2.gz UNRDOZKYCUNGRA-JOCHJYFZSA-N 0 0 432.524 3.855 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000016806550 556644164 /nfs/dbraw/zinc/64/41/64/556644164.db2.gz PLYMNMZIMYQOHX-VLZBMTSBSA-N 0 0 443.594 3.878 50 0 IHAARN O=C(OCc1ccccc1)N1CCN(c2nc3ccccc3c3nnc(C4CC4)n32)CC1 ZINC000037555004 556644370 /nfs/dbraw/zinc/64/43/70/556644370.db2.gz XYTGCXKNJFXMGS-UHFFFAOYSA-N 0 0 428.496 3.614 50 0 IHAARN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719659 556644671 /nfs/dbraw/zinc/64/46/71/556644671.db2.gz QOVODGZVULDNIG-INIZCTEOSA-N 0 0 435.615 3.641 50 0 IHAARN COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000016822429 556645060 /nfs/dbraw/zinc/64/50/60/556645060.db2.gz LCFLZAIGRDMCRO-INIZCTEOSA-N 0 0 441.915 3.764 50 0 IHAARN CCCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O ZINC000016824886 556645223 /nfs/dbraw/zinc/64/52/23/556645223.db2.gz BYRSNTXTOVPUEZ-CYBMUJFWSA-N 0 0 445.422 3.592 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)CC)cc2)C1 ZINC000037557068 556645363 /nfs/dbraw/zinc/64/53/63/556645363.db2.gz PJTDSOBQBBAKTG-JOCHJYFZSA-N 0 0 436.552 3.974 50 0 IHAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000016840929 556645822 /nfs/dbraw/zinc/64/58/22/556645822.db2.gz CCSJNQVKRSUJHK-UHFFFAOYSA-N 0 0 426.448 3.938 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 ZINC000016840942 556645833 /nfs/dbraw/zinc/64/58/33/556645833.db2.gz ILRAVAAIOQAEOZ-UHFFFAOYSA-N 0 0 447.520 3.618 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ccn3n2)cc1C ZINC000016842762 556646285 /nfs/dbraw/zinc/64/62/85/556646285.db2.gz CXKZQGXOWWXHCH-UHFFFAOYSA-N 0 0 441.447 3.607 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1)C[C@H](C)S2 ZINC000011726499 556647083 /nfs/dbraw/zinc/64/70/83/556647083.db2.gz JBDWVQRHGHGPKV-JTQLQIEISA-N 0 0 445.488 3.929 50 0 IHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(C)c(Cl)c1)C[C@@H](C)S2 ZINC000011726536 556647364 /nfs/dbraw/zinc/64/73/64/556647364.db2.gz LJMXQRWXBVSIIQ-GFCCVEGCSA-N 0 0 439.990 3.619 50 0 IHAARN O=c1c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c(=O)n1Cc1ccco1 ZINC000038486485 556648409 /nfs/dbraw/zinc/64/84/09/556648409.db2.gz DBPUKJMKWLUXQS-UHFFFAOYSA-N 0 0 434.839 3.556 50 0 IHAARN COc1cc(OC)c(NC(=O)Cn2cnc3c4ccccc4sc3c2=O)cc1Cl ZINC000016943073 556649572 /nfs/dbraw/zinc/64/95/72/556649572.db2.gz IWMNHHXFHYQJFP-UHFFFAOYSA-N 0 0 429.885 3.921 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C ZINC000011751322 556650932 /nfs/dbraw/zinc/65/09/32/556650932.db2.gz AYHVSOAYCHWGBG-IBGZPJMESA-N 0 0 425.510 3.769 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752000 556651077 /nfs/dbraw/zinc/65/10/77/556651077.db2.gz KBXUJUJDXAUDSU-UHFFFAOYSA-N 0 0 438.292 3.743 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752010 556651081 /nfs/dbraw/zinc/65/10/81/556651081.db2.gz RQPCXXUQLHWUPF-UHFFFAOYSA-N 0 0 438.292 3.743 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl ZINC000032999593 556652931 /nfs/dbraw/zinc/65/29/31/556652931.db2.gz JONCHIHWVQBKEA-UHFFFAOYSA-N 0 0 447.944 3.735 50 0 IHAARN COc1ccc(CNC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)cc1 ZINC000032999220 556652988 /nfs/dbraw/zinc/65/29/88/556652988.db2.gz PVXKYUBSVSBRMB-UHFFFAOYSA-N 0 0 448.498 3.658 50 0 IHAARN O=C(NCCSCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000032999768 556653483 /nfs/dbraw/zinc/65/34/83/556653483.db2.gz JMVZDIIMXIVBLM-UHFFFAOYSA-N 0 0 442.990 3.771 50 0 IHAARN COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)c1 ZINC000038651913 556653666 /nfs/dbraw/zinc/65/36/66/556653666.db2.gz ATHRKVZRRYHOTP-UHFFFAOYSA-N 0 0 427.526 3.930 50 0 IHAARN O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21)NCc1ccc(Cl)cc1 ZINC000038653881 556653956 /nfs/dbraw/zinc/65/39/56/556653956.db2.gz SXCLMWKDRAGXDV-UHFFFAOYSA-N 0 0 431.930 3.620 50 0 IHAARN COc1ccccc1CNC(=O)CCCSc1ccc(NC(=O)c2cccs2)nn1 ZINC000011794145 556656254 /nfs/dbraw/zinc/65/62/54/556656254.db2.gz NJEAWJYEVQFYSU-UHFFFAOYSA-N 0 0 442.566 3.988 50 0 IHAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C)s1 ZINC000033007695 556656455 /nfs/dbraw/zinc/65/64/55/556656455.db2.gz LXGGWSKDPHZLNP-UHFFFAOYSA-N 0 0 432.527 3.712 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc2sc(NC(C)=O)nc21 ZINC000033007937 556656733 /nfs/dbraw/zinc/65/67/33/556656733.db2.gz QRJDYEZHZKEUDA-UHFFFAOYSA-N 0 0 431.539 3.943 50 0 IHAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000032928359 556656867 /nfs/dbraw/zinc/65/68/67/556656867.db2.gz AMKQNMREUOAVHT-UHFFFAOYSA-N 0 0 432.446 3.672 50 0 IHAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000033013273 556662962 /nfs/dbraw/zinc/66/29/62/556662962.db2.gz PORSXBNGZXDGEP-LJQANCHMSA-N 0 0 437.496 3.785 50 0 IHAARN O=C(NCCc1c[nH]cn1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000017099210 556664494 /nfs/dbraw/zinc/66/44/94/556664494.db2.gz MEQUWIPUJWHYSN-UHFFFAOYSA-N 0 0 434.809 3.764 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 ZINC000033019148 556665777 /nfs/dbraw/zinc/66/57/77/556665777.db2.gz LRIVAQMZMLGWDU-IBGZPJMESA-N 0 0 429.524 3.814 50 0 IHAARN CCc1sc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Br ZINC000017101182 556665953 /nfs/dbraw/zinc/66/59/53/556665953.db2.gz HHAZYRWYZDSLCC-UHFFFAOYSA-N 0 0 437.359 3.760 50 0 IHAARN C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011866946 556667304 /nfs/dbraw/zinc/66/73/04/556667304.db2.gz VQJMILKSUUHGTB-QLODZENZSA-N 0 0 425.525 3.593 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)C(C)C)cc1 ZINC000011867497 556667564 /nfs/dbraw/zinc/66/75/64/556667564.db2.gz KNPLGINMHSHNSJ-NRFANRHFSA-N 0 0 443.521 3.627 50 0 IHAARN O=C(COC(=O)c1c[nH]c2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000017118334 556668416 /nfs/dbraw/zinc/66/84/16/556668416.db2.gz PFAYXYGLDDNPTG-UHFFFAOYSA-N 0 0 429.358 3.563 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000248147199 556668993 /nfs/dbraw/zinc/66/89/93/556668993.db2.gz TVGKUGGUPLPVIQ-LNRXMEIDSA-N 0 0 430.504 3.826 50 0 IHAARN O=C(/C=C/c1ccco1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914228 556673601 /nfs/dbraw/zinc/67/36/01/556673601.db2.gz QMELRZNUGPWMLJ-LNENJAERSA-N 0 0 429.469 3.908 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011914670 556673829 /nfs/dbraw/zinc/67/38/29/556673829.db2.gz FRLIISOOOPBPAU-GOSISDBHSA-N 0 0 448.903 3.964 50 0 IHAARN COCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)on1)CCCC2 ZINC000011916706 556674230 /nfs/dbraw/zinc/67/42/30/556674230.db2.gz TVIYVINMWJPCHQ-UHFFFAOYSA-N 0 0 425.510 3.910 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000033019434 556676405 /nfs/dbraw/zinc/67/64/05/556676405.db2.gz FUERERNJRVDGEL-OAHLLOKOSA-N 0 0 442.509 3.711 50 0 IHAARN CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccccc1 ZINC000032936427 556678749 /nfs/dbraw/zinc/67/87/49/556678749.db2.gz CFGQPMVMOGJPNB-GOSISDBHSA-N 0 0 428.872 3.991 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996846 556678844 /nfs/dbraw/zinc/67/88/44/556678844.db2.gz VRSLQHWVFIMJAS-SFHVURJKSA-N 0 0 439.537 3.787 50 0 IHAARN CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011996932 556678862 /nfs/dbraw/zinc/67/88/62/556678862.db2.gz LSIMQHRQZDAIAH-GOSISDBHSA-N 0 0 439.537 3.733 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000238901731 556681906 /nfs/dbraw/zinc/68/19/06/556681906.db2.gz MICDTNYKBXNWCV-VAQYAFAPSA-N 0 0 439.552 3.983 50 0 biogenic IHAARN CCc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 ZINC000033326412 556682014 /nfs/dbraw/zinc/68/20/14/556682014.db2.gz ITVLJMDVOJANTD-LJQANCHMSA-N 0 0 435.592 3.804 50 0 IHAARN COc1cc(-c2nnc(COC(=O)c3cccc(Br)c3)o2)cc(OC)c1OC ZINC000010628269 556682799 /nfs/dbraw/zinc/68/27/99/556682799.db2.gz OFLYQSBLIXWLQJ-UHFFFAOYSA-N 0 0 449.257 3.882 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000136052621 556688363 /nfs/dbraw/zinc/68/83/63/556688363.db2.gz HOWMAEFMTWUHGU-XYJFISCASA-N 0 0 438.530 3.631 50 0 IHAARN COc1ccc(-c2cc(=O)[nH]c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000018250808 556688481 /nfs/dbraw/zinc/68/84/81/556688481.db2.gz UPFDMAOMOCELPM-UHFFFAOYSA-N 0 0 446.326 3.939 50 0 IHAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000046141453 556692959 /nfs/dbraw/zinc/69/29/59/556692959.db2.gz YOBNYMAZYADPPT-CQSZACIVSA-N 0 0 439.946 3.884 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000033024126 556694818 /nfs/dbraw/zinc/69/48/18/556694818.db2.gz RUDYEINPHBIWEU-CYBMUJFWSA-N 0 0 430.913 3.583 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000033024272 556694921 /nfs/dbraw/zinc/69/49/21/556694921.db2.gz OAIHWQJEJUXWOW-LJQANCHMSA-N 0 0 445.516 3.561 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccc(F)c2)n3C)cc1 ZINC000033025890 556702028 /nfs/dbraw/zinc/70/20/28/556702028.db2.gz SUJONYKGAIJWBO-UHFFFAOYSA-N 0 0 446.482 3.946 50 0 IHAARN COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(=O)C(C)C)nn1 ZINC000013702157 556713545 /nfs/dbraw/zinc/71/35/45/556713545.db2.gz YELPOANSXBAMRC-UHFFFAOYSA-N 0 0 428.436 3.829 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 ZINC000011140508 556720245 /nfs/dbraw/zinc/72/02/45/556720245.db2.gz JHMJXACVWCXVBV-OAQYLSRUSA-N 0 0 443.931 3.869 50 0 IHAARN COc1ccc2c(C)c(CC(=O)NCCn3ccc4c3cccc4C)c(=O)oc2c1OC ZINC000072325022 556722763 /nfs/dbraw/zinc/72/27/63/556722763.db2.gz LKAVFNNHCUBXCX-UHFFFAOYSA-N 0 0 434.492 3.741 50 0 biogenic IHAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cc(F)cc(F)c1 ZINC000072328327 556725273 /nfs/dbraw/zinc/72/52/73/556725273.db2.gz UTOBZJDWDBNCJH-UHFFFAOYSA-N 0 0 448.267 3.658 50 0 IHAARN O=C(COC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1Br ZINC000072330847 556728338 /nfs/dbraw/zinc/72/83/38/556728338.db2.gz GBCBYNWOPBXSSH-UHFFFAOYSA-N 0 0 447.112 3.994 50 0 IHAARN Cc1ccccc1CN1CCN(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000019317236 556735900 /nfs/dbraw/zinc/73/59/00/556735900.db2.gz PMUPUXUZKZFLQQ-UHFFFAOYSA-N 0 0 441.988 3.870 50 0 IHAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013792715 556738337 /nfs/dbraw/zinc/73/83/37/556738337.db2.gz VRWIJAUMZBWKNN-AWEZNQCLSA-N 0 0 434.370 3.870 50 0 IHAARN Cc1ccc(C(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)cc1 ZINC000019340177 556739832 /nfs/dbraw/zinc/73/98/32/556739832.db2.gz QUBRCVXIFDRHOJ-UHFFFAOYSA-N 0 0 445.563 3.944 50 0 IHAARN COCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055342958 556740374 /nfs/dbraw/zinc/74/03/74/556740374.db2.gz XVYKCJHPNKVASA-QFIPXVFZSA-N 0 0 447.539 3.846 50 0 IHAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000060362335 556747153 /nfs/dbraw/zinc/74/71/53/556747153.db2.gz COKFQRANTHCKLZ-KRXBUXKQSA-N 0 0 449.820 3.708 50 0 IHAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1c(F)cccc1Cl ZINC000057947755 556749689 /nfs/dbraw/zinc/74/96/89/556749689.db2.gz FXZUJRUWVARMNW-QFIPXVFZSA-N 0 0 430.863 3.910 50 0 IHAARN C[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000057987314 556750509 /nfs/dbraw/zinc/75/05/09/556750509.db2.gz GDGWTBOIEYCNJE-INIZCTEOSA-N 0 0 433.599 3.626 50 0 IHAARN Cc1ccc(CSc2nnc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)s2)cc1 ZINC000014696132 556751146 /nfs/dbraw/zinc/75/11/46/556751146.db2.gz XAAWFLTVOSIFFP-UHFFFAOYSA-N 0 0 448.595 3.641 50 0 IHAARN O=C1CCCN1C[C@H](NCc1cnc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000058008497 556752956 /nfs/dbraw/zinc/75/29/56/556752956.db2.gz PVODOSWGSXVZAQ-IBGZPJMESA-N 0 0 433.478 3.549 50 0 IHAARN O=C(NC1CCN(c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1)C1CC1 ZINC000058014250 556753383 /nfs/dbraw/zinc/75/33/83/556753383.db2.gz GPIYQPJZIOEDLU-UHFFFAOYSA-N 0 0 441.746 3.688 50 0 IHAARN C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000058017450 556754208 /nfs/dbraw/zinc/75/42/08/556754208.db2.gz QREZDNDUAFXPEP-IIBYNOLFSA-N 0 0 440.521 3.526 50 0 IHAARN CC(C)Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000058024774 556754795 /nfs/dbraw/zinc/75/47/95/556754795.db2.gz WKBDMOCEKBKCCC-QFIPXVFZSA-N 0 0 436.531 3.693 50 0 IHAARN COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 ZINC000058112286 556759065 /nfs/dbraw/zinc/75/90/65/556759065.db2.gz PVNICCPIIHVVHJ-UHFFFAOYSA-N 0 0 449.511 3.744 50 0 IHAARN COc1cc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c(C(=O)N2CCCC2)cc1OC ZINC000058133670 556760243 /nfs/dbraw/zinc/76/02/43/556760243.db2.gz FUPPTNZLPMUBKW-APWZRJJASA-N 0 0 433.549 3.657 50 0 IHAARN NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)C1 ZINC000058141798 556761164 /nfs/dbraw/zinc/76/11/64/556761164.db2.gz BGUKNPNAICKVRS-OALUTQOASA-N 0 0 432.524 3.549 50 0 IHAARN Cc1nc(S(=O)(=O)CC(=O)NCCCCc2ccccc2)n(C2CCCCC2)c1C ZINC000058157166 556762759 /nfs/dbraw/zinc/76/27/59/556762759.db2.gz AXKDPJYGRNNUQH-UHFFFAOYSA-N 0 0 431.602 3.918 50 0 IHAARN Cc1cc(C(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 ZINC000058160824 556765007 /nfs/dbraw/zinc/76/50/07/556765007.db2.gz ZMRVRXFLLKKZJM-GOSISDBHSA-N 0 0 446.594 3.680 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(=O)cnc3cc(C(=O)NC4CCCC4)ccc32)c(C)c1 ZINC000062007118 556765122 /nfs/dbraw/zinc/76/51/22/556765122.db2.gz ODWOELWMRQJGHE-UHFFFAOYSA-N 0 0 432.524 3.633 50 0 IHAARN CN(C)C(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 ZINC000058161494 556765581 /nfs/dbraw/zinc/76/55/81/556765581.db2.gz JYYHPYHOGUFYLP-UHFFFAOYSA-N 0 0 443.341 3.621 50 0 IHAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000019471558 556768073 /nfs/dbraw/zinc/76/80/73/556768073.db2.gz LLMLQJKDDMOCQY-MRXNPFEDSA-N 0 0 429.519 3.978 50 0 IHAARN O=C(c1cccc(I)c1)N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058280749 556777212 /nfs/dbraw/zinc/77/72/12/556777212.db2.gz XDRHALHESWTNKI-UHFFFAOYSA-N 0 0 446.292 3.520 50 0 IHAARN Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@H](C)C3)nn(C)c2n1 ZINC000058296462 556778107 /nfs/dbraw/zinc/77/81/07/556778107.db2.gz JEYUODBYQXGTKH-IYBDPMFKSA-N 0 0 449.555 3.721 50 0 IHAARN COc1ccc(CN(C)C(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)c(OC)c1 ZINC000058299355 556778604 /nfs/dbraw/zinc/77/86/04/556778604.db2.gz XGRHRWFIDBZUOW-UHFFFAOYSA-N 0 0 430.501 3.700 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H](C)c3nc(-c4cccs4)no3)C2)cc1 ZINC000058305052 556778864 /nfs/dbraw/zinc/77/88/64/556778864.db2.gz QBHFPDIZTXWYSJ-IRXDYDNUSA-N 0 0 446.598 3.858 50 0 IHAARN CCN(CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(=O)OC(C)(C)C ZINC000058307506 556779352 /nfs/dbraw/zinc/77/93/52/556779352.db2.gz JZQXQXOKNDAVTL-HOTGVXAUSA-N 0 0 438.544 3.818 50 0 IHAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000058406776 556786153 /nfs/dbraw/zinc/78/61/53/556786153.db2.gz VPQDTUYINJQDOS-BBRMVZONSA-N 0 0 445.441 3.820 50 0 IHAARN CCCS(=O)(=O)Nc1cccc(NC(=O)CCc2c(C)nc(SC)nc2C)c1C ZINC000058441406 556789219 /nfs/dbraw/zinc/78/92/19/556789219.db2.gz QIHBPQBXVMGMAW-UHFFFAOYSA-N 0 0 436.603 3.847 50 0 IHAARN Cc1cc(=O)c(C(=O)NCc2cc3ccccc3[nH]2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058901894 556792771 /nfs/dbraw/zinc/79/27/71/556792771.db2.gz ACTAASWQICTRMS-UHFFFAOYSA-N 0 0 426.398 3.971 50 0 IHAARN CCCCc1nc(C)c(C(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)s1 ZINC000059011540 556793978 /nfs/dbraw/zinc/79/39/78/556793978.db2.gz QDDSHNSVQQWXSZ-UHFFFAOYSA-N 0 0 445.585 3.846 50 0 IHAARN C[C@@H](Oc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cn1)c1ccccc1 ZINC000059402931 556799511 /nfs/dbraw/zinc/79/95/11/556799511.db2.gz UWHBUTFETLWXKI-MRXNPFEDSA-N 0 0 430.464 3.526 50 0 IHAARN COc1ccc(NC2=NC(=O)SC2=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000072401393 556800537 /nfs/dbraw/zinc/80/05/37/556800537.db2.gz UKFIQJZYCMSLID-YQYFLZKSSA-N 0 0 446.554 3.586 50 0 IHAARN CCc1ccc(CNC(=O)c2ccc(N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000033052929 556803031 /nfs/dbraw/zinc/80/30/31/556803031.db2.gz DQKIBVMLGAZJLU-UHFFFAOYSA-N 0 0 441.597 3.564 50 0 IHAARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003249822 556804901 /nfs/dbraw/zinc/80/49/01/556804901.db2.gz CNBDGYPTZLGZGI-RMKNXTFCSA-N 0 0 434.414 3.737 50 0 IHAARN CCCCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202582 556809879 /nfs/dbraw/zinc/80/98/79/556809879.db2.gz UVXOIVOBQJJKDD-GOSISDBHSA-N 0 0 429.502 3.835 50 0 IHAARN CC(=O)Oc1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)cc1 ZINC000003373208 556812885 /nfs/dbraw/zinc/81/28/85/556812885.db2.gz IKQLVNKZDXGVOJ-MHWRWJLKSA-N 0 0 433.201 3.561 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2cc1C(C)C ZINC000003515960 556817043 /nfs/dbraw/zinc/81/70/43/556817043.db2.gz ULSYBTJRMQYRHC-UHFFFAOYSA-N 0 0 449.912 3.883 50 0 IHAARN O=C(Nc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003517059 556817143 /nfs/dbraw/zinc/81/71/43/556817143.db2.gz VCKQYROSDHRWDZ-UHFFFAOYSA-N 0 0 436.489 3.859 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000033061838 556817251 /nfs/dbraw/zinc/81/72/51/556817251.db2.gz VYRVBGMRZWGIRO-MRXNPFEDSA-N 0 0 438.553 3.869 50 0 IHAARN Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)ccc1Br ZINC000003538282 556817407 /nfs/dbraw/zinc/81/74/07/556817407.db2.gz BXISHRICFSGTRD-UHFFFAOYSA-N 0 0 431.739 3.914 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)C[C@H]2C)c1 ZINC000033061535 556818300 /nfs/dbraw/zinc/81/83/00/556818300.db2.gz JYUJCDLDVWYQLY-GOSISDBHSA-N 0 0 449.580 3.769 50 0 IHAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000060390598 556818798 /nfs/dbraw/zinc/81/87/98/556818798.db2.gz YHCNIUXMGJDCHT-RBUKOAKNSA-N 0 0 435.549 3.857 50 0 IHAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(OC)ccc4[nH]3)n2C)cc1 ZINC000033067729 556819564 /nfs/dbraw/zinc/81/95/64/556819564.db2.gz RDUOZCYHXOVXLJ-UHFFFAOYSA-N 0 0 438.509 3.545 50 0 IHAARN CCOc1ccc(-n2ccn3c(CCCC(=O)Nc4cc(C)cc(C)c4)nnc3c2=O)cc1 ZINC000064591619 556825446 /nfs/dbraw/zinc/82/54/46/556825446.db2.gz MFJGDRDPKLEDPI-UHFFFAOYSA-N 0 0 445.523 3.857 50 0 IHAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccs4)ccc3C[C@@H]2C)cc1 ZINC000065003370 556831489 /nfs/dbraw/zinc/83/14/89/556831489.db2.gz NJJCZBRUPSWSFM-HNNXBMFYSA-N 0 0 442.562 3.827 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(OC(C)C)cc1 ZINC000019617789 556831566 /nfs/dbraw/zinc/83/15/66/556831566.db2.gz SSZHXGLYCXKLSB-UHFFFAOYSA-N 0 0 434.540 3.665 50 0 IHAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 ZINC000065362138 556834060 /nfs/dbraw/zinc/83/40/60/556834060.db2.gz XJMXSEMRRDWMML-IBGZPJMESA-N 0 0 432.528 3.834 50 0 IHAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCCC2)nn1 ZINC000065362290 556834324 /nfs/dbraw/zinc/83/43/24/556834324.db2.gz GYEVWAWVXGSPDO-GOSISDBHSA-N 0 0 432.528 3.834 50 0 IHAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000065365503 556835944 /nfs/dbraw/zinc/83/59/44/556835944.db2.gz SMMPKJJDKFLNFM-SFHVURJKSA-N 0 0 432.528 3.832 50 0 IHAARN Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)n2)c1 ZINC000019637315 556836053 /nfs/dbraw/zinc/83/60/53/556836053.db2.gz OAVDSBDOUCTYGR-UHFFFAOYSA-N 0 0 442.922 3.979 50 0 IHAARN COc1cc(I)c(CCNC(=O)OCc2ccccc2)cc1OC ZINC000096602257 556837785 /nfs/dbraw/zinc/83/77/85/556837785.db2.gz PROPCPDNPGICDP-UHFFFAOYSA-N 0 0 441.265 3.777 50 0 IHAARN Cc1ccc(CC(=O)NC(=S)NC[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000096602146 556837796 /nfs/dbraw/zinc/83/77/96/556837796.db2.gz KLMJRYWDNRLSGT-UQQXROCHSA-N 0 0 444.641 3.512 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 ZINC000008718199 556842886 /nfs/dbraw/zinc/84/28/86/556842886.db2.gz KYYMZMMBKPFINV-FQEVSTJZSA-N 0 0 429.480 3.895 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)O2)c1 ZINC000096814888 556846596 /nfs/dbraw/zinc/84/65/96/556846596.db2.gz BHRPBXGBWBIATE-PXLXIMEGSA-N 0 0 432.501 3.948 50 0 IHAARN O=C1O[C@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(Cl)c(Cl)c1 ZINC000008838490 556849681 /nfs/dbraw/zinc/84/96/81/556849681.db2.gz HMMCFUASOCCHES-LLVKDONJSA-N 0 0 435.716 3.951 50 0 IHAARN O=C(CSc1nc(CC(=O)NCc2ccncc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852608 556850244 /nfs/dbraw/zinc/85/02/44/556850244.db2.gz WMVPVFAUZMEPGJ-UHFFFAOYSA-N 0 0 432.958 3.781 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1Cl ZINC000008977218 556852185 /nfs/dbraw/zinc/85/21/85/556852185.db2.gz ALSRGEMFMNSCFO-UHFFFAOYSA-N 0 0 446.912 3.941 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3OC)C2)s1 ZINC000033078481 556853376 /nfs/dbraw/zinc/85/33/76/556853376.db2.gz NNLJXJZWCONOSX-MRXNPFEDSA-N 0 0 440.569 3.804 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000008988569 556854654 /nfs/dbraw/zinc/85/46/54/556854654.db2.gz TXVRSRWXHBTIFD-UHFFFAOYSA-N 0 0 430.526 3.715 50 0 IHAARN CCN1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2-c2ccccc2S1(=O)=O ZINC000033088707 556857930 /nfs/dbraw/zinc/85/79/30/556857930.db2.gz FLQYETKJPYDDPP-UHFFFAOYSA-N 0 0 436.489 3.541 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088597 556857959 /nfs/dbraw/zinc/85/79/59/556857959.db2.gz MLPRYFSJAWSJBL-UHFFFAOYSA-N 0 0 447.398 3.895 50 0 IHAARN COc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1 ZINC000033113963 556860782 /nfs/dbraw/zinc/86/07/82/556860782.db2.gz CZHVYPJZGBIHNK-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21 ZINC000033129711 556868925 /nfs/dbraw/zinc/86/89/25/556868925.db2.gz LAZWBSVBOMAQGS-UHFFFAOYSA-N 0 0 447.988 3.861 50 0 IHAARN O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019733058 556876871 /nfs/dbraw/zinc/87/68/71/556876871.db2.gz LBNNWMALJNOMGV-XBGMYJNYSA-N 0 0 444.362 3.956 50 0 IHAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000033142039 556877408 /nfs/dbraw/zinc/87/74/08/556877408.db2.gz MFCZWGXOZVYSTE-UHFFFAOYSA-N 0 0 446.507 3.839 50 0 IHAARN COc1ccc2c(ccn2CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC000071283858 556880359 /nfs/dbraw/zinc/88/03/59/556880359.db2.gz FFBFTUUBUCANKX-UHFFFAOYSA-N 0 0 427.526 3.609 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000033171860 556882597 /nfs/dbraw/zinc/88/25/97/556882597.db2.gz KMXYQGQAHFVVNF-UHFFFAOYSA-N 0 0 434.443 3.604 50 0 IHAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1cccs1 ZINC000033169905 556885289 /nfs/dbraw/zinc/88/52/89/556885289.db2.gz LUYQCFRGEJHLRN-SNVBAGLBSA-N 0 0 438.387 3.803 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)N3CCC(C)CC3)CC2)c1C ZINC000033170140 556885432 /nfs/dbraw/zinc/88/54/32/556885432.db2.gz DNIDRWTZGFUUKE-UHFFFAOYSA-N 0 0 439.629 3.771 50 0 IHAARN O=C(CSc1nccnc1N1CCSCC1)Nc1cccc(Br)c1 ZINC000033170120 556885514 /nfs/dbraw/zinc/88/55/14/556885514.db2.gz MSBNPWSTQBIKNM-UHFFFAOYSA-N 0 0 425.377 3.523 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc43)c2)c1 ZINC000033170535 556885895 /nfs/dbraw/zinc/88/58/95/556885895.db2.gz UDHDIXACUFYOFL-UHFFFAOYSA-N 0 0 440.506 3.753 50 0 IHAARN CC(C)N(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1 ZINC000071769315 556887862 /nfs/dbraw/zinc/88/78/62/556887862.db2.gz DFDUDRITYNZCLP-UHFFFAOYSA-N 0 0 429.948 3.662 50 0 IHAARN O=C(C1=CCCCC1)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000019744923 556891564 /nfs/dbraw/zinc/89/15/64/556891564.db2.gz KFHQRMXTNWZVIE-OAQYLSRUSA-N 0 0 427.614 3.521 50 0 IHAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1 ZINC000033260892 556897660 /nfs/dbraw/zinc/89/76/60/556897660.db2.gz PBEWBQDPBCXZAE-UHFFFAOYSA-N 0 0 432.524 3.565 50 0 IHAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 ZINC000072139307 556899228 /nfs/dbraw/zinc/89/92/28/556899228.db2.gz QFWYGELFIMOGTQ-UHFFFAOYSA-N 0 0 433.516 3.676 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 ZINC000019796735 556916219 /nfs/dbraw/zinc/91/62/19/556916219.db2.gz ZORRFQXUKDRSPE-NRFANRHFSA-N 0 0 441.915 3.807 50 0 IHAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000019811400 556919069 /nfs/dbraw/zinc/91/90/69/556919069.db2.gz FQUMUROXHFNPAT-FGZHOGPDSA-N 0 0 428.941 3.900 50 0 IHAARN CCn1c(C)cc(C(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1C ZINC000019852017 556930876 /nfs/dbraw/zinc/93/08/76/556930876.db2.gz CCNRTEYFUKEPMD-UHFFFAOYSA-N 0 0 439.585 3.513 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860468 556932849 /nfs/dbraw/zinc/93/28/49/556932849.db2.gz JPIGTBMWFXSASA-CQSZACIVSA-N 0 0 428.888 3.799 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868159 556935084 /nfs/dbraw/zinc/93/50/84/556935084.db2.gz ZBWUBZDAHBUUDM-UHFFFAOYSA-N 0 0 436.961 3.919 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)c(C)c1 ZINC000019899252 556941452 /nfs/dbraw/zinc/94/14/52/556941452.db2.gz CGGHBURGPVHDTB-RMKNXTFCSA-N 0 0 429.572 3.645 50 0 IHAARN COc1ccc([C@@H](c2nnnn2C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 ZINC000019900928 556942114 /nfs/dbraw/zinc/94/21/14/556942114.db2.gz IPYMALSTKRNXNW-VWLOTQADSA-N 0 0 441.535 3.741 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2CC)c1 ZINC000019911140 556943153 /nfs/dbraw/zinc/94/31/53/556943153.db2.gz QARZOJBTLURZBG-UHFFFAOYSA-N 0 0 430.411 3.860 50 0 IHAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019922422 556943982 /nfs/dbraw/zinc/94/39/82/556943982.db2.gz INLXITJLTFOXLX-UHFFFAOYSA-N 0 0 427.570 3.825 50 0 IHAARN O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)s1 ZINC000019942475 556953665 /nfs/dbraw/zinc/95/36/65/556953665.db2.gz WTNXYZYPXFLRRB-UHFFFAOYSA-N 0 0 430.374 3.550 50 0 IHAARN Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000019944526 556954302 /nfs/dbraw/zinc/95/43/02/556954302.db2.gz UFFYHSSBXFQMNS-UHFFFAOYSA-N 0 0 443.477 3.534 50 0 IHAARN COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944559 556954307 /nfs/dbraw/zinc/95/43/07/556954307.db2.gz FSRZTNUNZMICPP-INIZCTEOSA-N 0 0 436.217 3.970 50 0 IHAARN CCCN(CCC)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019996403 556957216 /nfs/dbraw/zinc/95/72/16/556957216.db2.gz WKSHONMUXZUNAK-UHFFFAOYSA-N 0 0 426.590 3.976 50 0 IHAARN CSc1nc2nc(C)c(CCC(=O)Nc3nnc(-c4ccccc4)s3)c(C)n2n1 ZINC000020016118 556962184 /nfs/dbraw/zinc/96/21/84/556962184.db2.gz BPGKUZRXWJEKTD-UHFFFAOYSA-N 0 0 425.543 3.553 50 0 IHAARN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000097002121 556978617 /nfs/dbraw/zinc/97/86/17/556978617.db2.gz LCZBSTINICQSCO-INIZCTEOSA-N 0 0 449.320 3.687 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000011239373 556981011 /nfs/dbraw/zinc/98/10/11/556981011.db2.gz LSORAWQTYRRDIB-UHFFFAOYSA-N 0 0 449.885 3.534 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)nsc2c1=O ZINC000033268098 556982192 /nfs/dbraw/zinc/98/21/92/556982192.db2.gz NZVBYLLUXLMUBV-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033268476 556984118 /nfs/dbraw/zinc/98/41/18/556984118.db2.gz JSZJCKJSDLDOAB-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097097097 556984575 /nfs/dbraw/zinc/98/45/75/556984575.db2.gz YPPULKSKXFKDKE-INIZCTEOSA-N 0 0 426.473 3.775 50 0 IHAARN Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097097100 556984600 /nfs/dbraw/zinc/98/46/00/556984600.db2.gz YPPULKSKXFKDKE-MRXNPFEDSA-N 0 0 426.473 3.775 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc2c1 ZINC000033268621 556985283 /nfs/dbraw/zinc/98/52/83/556985283.db2.gz ZWYOFKULWGGHIG-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCOc1ccc(OCC)cc1 ZINC000023044113 556986402 /nfs/dbraw/zinc/98/64/02/556986402.db2.gz MKMPQZLWALCIHI-UHFFFAOYSA-N 0 0 435.571 3.664 50 0 IHAARN COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000020117109 556987088 /nfs/dbraw/zinc/98/70/88/556987088.db2.gz JYUMMFTUIWAPFT-QGZVFWFLSA-N 0 0 430.892 3.883 50 0 IHAARN O=C(Nc1ccn(Cc2ccccn2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000097117713 556991401 /nfs/dbraw/zinc/99/14/01/556991401.db2.gz IAJRKOVADLVHQW-UHFFFAOYSA-N 0 0 446.433 3.826 50 0 IHAARN O=C(Cc1ccccc1Br)NC1(c2nc(-c3cnccn3)no2)CCCCC1 ZINC000077197501 556996850 /nfs/dbraw/zinc/99/68/50/556996850.db2.gz YUQMKHZUGNTEOO-UHFFFAOYSA-N 0 0 442.317 3.807 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000011243618 556998482 /nfs/dbraw/zinc/99/84/82/556998482.db2.gz SVFAIJFBRFUMSB-AWEZNQCLSA-N 0 0 425.437 3.732 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cc(C)ccc4C)CC3)c2c1 ZINC000020213110 556999072 /nfs/dbraw/zinc/99/90/72/556999072.db2.gz ZVMKZIQWMODJEV-UHFFFAOYSA-N 0 0 433.552 3.729 50 0 IHAARN O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1CCc2ccccc2C1 ZINC000023109151 557004019 /nfs/dbraw/zinc/00/40/19/557004019.db2.gz TZRJSQPPUYPVOK-UHFFFAOYSA-N 0 0 428.521 3.548 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000023125391 557007131 /nfs/dbraw/zinc/00/71/31/557007131.db2.gz AOEAXINXVNJMSA-UHFFFAOYSA-N 0 0 429.523 3.784 50 0 IHAARN CC[C@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCCC1 ZINC000020325879 557008051 /nfs/dbraw/zinc/00/80/51/557008051.db2.gz MJTBJKUFKZPBMA-HSZRJFAPSA-N 0 0 439.585 3.918 50 0 IHAARN Cn1c2nc3n(c2c(=O)n(C/C=C\c2ccccc2)c1=O)CCCN3c1ccc(Cl)cc1 ZINC000096936054 557009739 /nfs/dbraw/zinc/00/97/39/557009739.db2.gz PPHNQAQIDODYDW-UITAMQMPSA-N 0 0 447.926 3.805 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCc1ccco1 ZINC000045971495 557014648 /nfs/dbraw/zinc/01/46/48/557014648.db2.gz AOXCNGCHLCVMFW-UHFFFAOYSA-N 0 0 438.900 3.699 50 0 IHAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 ZINC000020426588 557015441 /nfs/dbraw/zinc/01/54/41/557015441.db2.gz HPUFVUHGOMKNFV-UHFFFAOYSA-N 0 0 443.883 3.831 50 0 IHAARN Cc1nn(CCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998108 557015775 /nfs/dbraw/zinc/01/57/75/557015775.db2.gz XSVXWMMPULTQQI-UHFFFAOYSA-N 0 0 432.590 3.827 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc(C)c12 ZINC000045991741 557017321 /nfs/dbraw/zinc/01/73/21/557017321.db2.gz JJDDXWNDCFNQSK-QGZVFWFLSA-N 0 0 444.491 3.850 50 0 IHAARN CCn1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)c1=O ZINC000023136384 557018821 /nfs/dbraw/zinc/01/88/21/557018821.db2.gz UKOOAHAXVMJJAJ-UHFFFAOYSA-N 0 0 438.340 3.701 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)cc1O ZINC000046017124 557020466 /nfs/dbraw/zinc/02/04/66/557020466.db2.gz RKZFQNTWOVRTLS-MRXNPFEDSA-N 0 0 437.521 3.569 50 0 IHAARN O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)Nc1ccc(F)cc1 ZINC000023139803 557022387 /nfs/dbraw/zinc/02/23/87/557022387.db2.gz ZDELPMQOGVLLMW-UHFFFAOYSA-N 0 0 447.536 3.874 50 0 IHAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)c2c(c1=O)CCCC2 ZINC000046027544 557023591 /nfs/dbraw/zinc/02/35/91/557023591.db2.gz IWBLPYGVQISKHW-UHFFFAOYSA-N 0 0 429.586 3.728 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)C1 ZINC000032944257 557025614 /nfs/dbraw/zinc/02/56/14/557025614.db2.gz PBMAKQQZXPHGSG-JBVUFVISSA-N 0 0 445.585 3.615 50 0 IHAARN COc1cc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC ZINC000010770595 557025655 /nfs/dbraw/zinc/02/56/55/557025655.db2.gz JIWROFGWBGHPDK-UHFFFAOYSA-N 0 0 427.497 3.725 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)C(c1ccccc1)c1ccccc1 ZINC000010774814 557025739 /nfs/dbraw/zinc/02/57/39/557025739.db2.gz AASDNOPDQSAMIE-UHFFFAOYSA-N 0 0 440.590 3.981 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)cc1 ZINC000046053698 557026717 /nfs/dbraw/zinc/02/67/17/557026717.db2.gz QMGSTPRJCDNDFR-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)cc1C ZINC000046075593 557032166 /nfs/dbraw/zinc/03/21/66/557032166.db2.gz VBVUHNURCIKRNA-SFHVURJKSA-N 0 0 448.548 3.786 50 0 IHAARN COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1 ZINC000010843737 557035019 /nfs/dbraw/zinc/03/50/19/557035019.db2.gz ITBHWQJOYDVVFY-UHFFFAOYSA-N 0 0 426.513 3.967 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](CC(C)C)C(=O)N2CCCC2)cc1 ZINC000012382117 557036035 /nfs/dbraw/zinc/03/60/35/557036035.db2.gz GADHUUVGXAZAAN-JOCHJYFZSA-N 0 0 437.540 3.714 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)c1 ZINC000046123134 557036946 /nfs/dbraw/zinc/03/69/46/557036946.db2.gz KTVPADMZWIMNFR-OAHLLOKOSA-N 0 0 440.500 3.958 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2ccccc2Cl)s1 ZINC000032947348 557041986 /nfs/dbraw/zinc/04/19/86/557041986.db2.gz HKAXHHDQWZRZCI-UHFFFAOYSA-N 0 0 431.008 3.883 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000010864215 557043709 /nfs/dbraw/zinc/04/37/09/557043709.db2.gz XQTNUFJCGIVCRL-AWEZNQCLSA-N 0 0 440.459 3.666 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1C ZINC000051357916 557045321 /nfs/dbraw/zinc/04/53/21/557045321.db2.gz CXRLVJLXRGWVFD-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN CC(C)(CN1C(=O)[C@H](Oc2ccccc2F)[C@H]1c1cc(F)ccc1F)N1CCOCC1 ZINC000048235805 557046780 /nfs/dbraw/zinc/04/67/80/557046780.db2.gz TZAAKXZSNYLUQE-NHCUHLMSSA-N 0 0 434.458 3.546 50 0 IHAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000048237064 557047619 /nfs/dbraw/zinc/04/76/19/557047619.db2.gz ZWAJIJKDAXTFEP-WOJBJXKFSA-N 0 0 445.947 3.742 50 0 IHAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C[C@@H](C)O1 ZINC000048248691 557048349 /nfs/dbraw/zinc/04/83/49/557048349.db2.gz YOFKETGIYYHSAN-IAGOWNOFSA-N 0 0 425.554 3.871 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)c(C)c1 ZINC000033271041 557048533 /nfs/dbraw/zinc/04/85/33/557048533.db2.gz NQPRWNMSBOQDPS-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000048230984 557048930 /nfs/dbraw/zinc/04/89/30/557048930.db2.gz FMFQWJKKKLXFBG-FQEVSTJZSA-N 0 0 447.605 3.684 50 0 IHAARN CCCN(CCC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000017271693 557049420 /nfs/dbraw/zinc/04/94/20/557049420.db2.gz AOQCAEIQJCUJGR-UHFFFAOYSA-N 0 0 437.008 3.659 50 0 IHAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(O)c(OC)c3)sc2c1 ZINC000033271592 557049859 /nfs/dbraw/zinc/04/98/59/557049859.db2.gz JGHRCFMCZBTBMP-CQSZACIVSA-N 0 0 436.493 3.987 50 0 IHAARN O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1cccc(F)c1 ZINC000022930789 557049860 /nfs/dbraw/zinc/04/98/60/557049860.db2.gz QQFKLKNEALQOSD-UHFFFAOYSA-N 0 0 426.355 3.796 50 0 IHAARN Cc1ccccc1CN(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022932060 557050519 /nfs/dbraw/zinc/05/05/19/557050519.db2.gz YKIGUQNIPRJBKT-UHFFFAOYSA-N 0 0 436.419 3.595 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1C ZINC000022935390 557052559 /nfs/dbraw/zinc/05/25/59/557052559.db2.gz GLUUYLCZXVYALP-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000048289230 557054396 /nfs/dbraw/zinc/05/43/96/557054396.db2.gz CQVIHJJEGZXUIT-UHFFFAOYSA-N 0 0 444.329 3.517 50 0 IHAARN CCOc1ccccc1NC(=O)CS(=O)(=O)c1ncc(-c2ccc(Cl)cc2)n1C ZINC000017315961 557056595 /nfs/dbraw/zinc/05/65/95/557056595.db2.gz OMLXOOQQNHHROS-UHFFFAOYSA-N 0 0 433.917 3.552 50 0 IHAARN COc1ccc(C)cc1NC(=O)CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000023003051 557056803 /nfs/dbraw/zinc/05/68/03/557056803.db2.gz QFHNXOSRTXYAPN-UHFFFAOYSA-N 0 0 429.423 3.624 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000023038621 557058501 /nfs/dbraw/zinc/05/85/01/557058501.db2.gz AATNIQAFWDZKCJ-FQEVSTJZSA-N 0 0 430.346 3.683 50 0 IHAARN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2)CCC1 ZINC000033277566 557059555 /nfs/dbraw/zinc/05/95/55/557059555.db2.gz CNWMRVVJADTQQG-UHFFFAOYSA-N 0 0 443.569 3.784 50 0 IHAARN COc1ccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)c(OC)c1 ZINC000033278341 557060118 /nfs/dbraw/zinc/06/01/18/557060118.db2.gz YDSVGQJSIANFNT-UHFFFAOYSA-N 0 0 442.903 3.936 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000023076229 557061732 /nfs/dbraw/zinc/06/17/32/557061732.db2.gz HNGFAOVWHXBEEO-CQSZACIVSA-N 0 0 428.510 3.765 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2cnn(-c3ccccc3)n2)cs1)c1ccccc1F ZINC000023075337 557061761 /nfs/dbraw/zinc/06/17/61/557061761.db2.gz XAOQLIPQFUHAKH-UHFFFAOYSA-N 0 0 437.456 3.905 50 0 IHAARN Cc1cccc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1C ZINC000048300485 557062394 /nfs/dbraw/zinc/06/23/94/557062394.db2.gz MZLBYHHPAYUTGF-UHFFFAOYSA-N 0 0 432.450 3.639 50 0 IHAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000048302145 557063374 /nfs/dbraw/zinc/06/33/74/557063374.db2.gz XIWBRGRTSXHHGI-UHFFFAOYSA-N 0 0 426.460 3.687 50 0 IHAARN COCCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)cc1C ZINC000048303035 557064389 /nfs/dbraw/zinc/06/43/89/557064389.db2.gz SYRPUSZYJQSKKV-UHFFFAOYSA-N 0 0 429.498 3.748 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)nc(NC3CCCC3)c3ccccc32)cc1 ZINC000033287455 557064723 /nfs/dbraw/zinc/06/47/23/557064723.db2.gz MQEARIDICKSCMB-UHFFFAOYSA-N 0 0 434.496 3.566 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(C)c(=O)c1n2C ZINC000033287756 557065258 /nfs/dbraw/zinc/06/52/58/557065258.db2.gz HNXRKAALBWHQMD-UHFFFAOYSA-N 0 0 448.548 3.653 50 0 IHAARN CCCCCCN(CCN1CCOCC1)C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000048324694 557065565 /nfs/dbraw/zinc/06/55/65/557065565.db2.gz XUSQJXUXTDTPTA-UHFFFAOYSA-N 0 0 435.572 3.751 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(OC)cc2)c(C(=O)OC)c1C ZINC000033288679 557065857 /nfs/dbraw/zinc/06/58/57/557065857.db2.gz YQOHEOFUFXNYSK-RAXLEYEMSA-N 0 0 430.526 3.986 50 0 IHAARN CN(C)C(=O)COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000023137434 557067150 /nfs/dbraw/zinc/06/71/50/557067150.db2.gz DHNCMKRQBOJHMX-UHFFFAOYSA-N 0 0 436.487 3.610 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1OC ZINC000048312664 557067337 /nfs/dbraw/zinc/06/73/37/557067337.db2.gz YXKPXUUINMRVSQ-GOSISDBHSA-N 0 0 445.903 3.620 50 0 IHAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 ZINC000048333133 557068027 /nfs/dbraw/zinc/06/80/27/557068027.db2.gz HRGJZHGZOHBVBI-UHFFFAOYSA-N 0 0 427.473 3.639 50 0 IHAARN NC(=O)c1cn(CC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc12 ZINC000048333981 557068499 /nfs/dbraw/zinc/06/84/99/557068499.db2.gz DEHRMBQXEKNHLJ-JOCHJYFZSA-N 0 0 437.503 3.717 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000048333922 557068529 /nfs/dbraw/zinc/06/85/29/557068529.db2.gz CIBCGNMJDURRRB-UHFFFAOYSA-N 0 0 428.529 3.894 50 0 IHAARN O=C(CCc1nc(-c2ccc(N3CCCCC3)cc2)no1)NCc1ccc2c(c1)OCO2 ZINC000033283588 557068587 /nfs/dbraw/zinc/06/85/87/557068587.db2.gz DISNEYAIXUXCAU-UHFFFAOYSA-N 0 0 434.496 3.705 50 0 IHAARN O=C1C[C@H](N2CCN(/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000051364660 557069076 /nfs/dbraw/zinc/06/90/76/557069076.db2.gz NGDBTUSTPWCBRK-YJJPMGAVSA-N 0 0 430.335 3.914 50 0 IHAARN COc1ccccc1NC(=O)NC1CCN(c2nc3ccccc3n(CC(C)C)c2=O)CC1 ZINC000033290680 557069194 /nfs/dbraw/zinc/06/91/94/557069194.db2.gz WVAGJRKVOOFPCY-UHFFFAOYSA-N 0 0 449.555 3.852 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000017360565 557069681 /nfs/dbraw/zinc/06/96/81/557069681.db2.gz FMRACZORWVRMKI-UHFFFAOYSA-N 0 0 443.550 3.861 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc2C1 ZINC000023156606 557070229 /nfs/dbraw/zinc/07/02/29/557070229.db2.gz PRLBKIWQIAUAPB-IBGZPJMESA-N 0 0 447.398 3.886 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)NCc3ccc(OC)c(OC)c3)c(=O)oc2c1C ZINC000004743529 557070432 /nfs/dbraw/zinc/07/04/32/557070432.db2.gz WGPUFZHWRNRVBZ-UHFFFAOYSA-N 0 0 425.481 3.685 50 0 biogenic IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000023182979 557071177 /nfs/dbraw/zinc/07/11/77/557071177.db2.gz NCLSJKWWVOAHBQ-UHFFFAOYSA-N 0 0 428.920 3.822 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2=O)cc1OC ZINC000048356446 557073206 /nfs/dbraw/zinc/07/32/06/557073206.db2.gz DKLDZRYWRVPRSA-NSHDSACASA-N 0 0 449.385 3.855 50 0 IHAARN Cc1cc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)no1 ZINC000048355288 557073710 /nfs/dbraw/zinc/07/37/10/557073710.db2.gz APHXEEQUVBZDHX-UHFFFAOYSA-N 0 0 425.489 3.696 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)cc1 ZINC000033298332 557074176 /nfs/dbraw/zinc/07/41/76/557074176.db2.gz MABVOQREYYPWSP-UHFFFAOYSA-N 0 0 447.513 3.578 50 0 IHAARN Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)c(Cl)c4)c3=O)n2)cc1 ZINC000033293071 557075959 /nfs/dbraw/zinc/07/59/59/557075959.db2.gz SRMIFSPRBCPXLL-UHFFFAOYSA-N 0 0 432.871 3.951 50 0 IHAARN CCc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(C)c(C)c4)no2)c3=O)cc1 ZINC000033293102 557076023 /nfs/dbraw/zinc/07/60/23/557076023.db2.gz FLPDECSBTKGGEI-UHFFFAOYSA-N 0 0 426.480 3.860 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(NC(C)=O)c4)C3)sc2c1 ZINC000033293242 557076208 /nfs/dbraw/zinc/07/62/08/557076208.db2.gz XKZRXTUZHLRLML-AWEZNQCLSA-N 0 0 438.509 3.645 50 0 IHAARN COC(=O)c1cc(NCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(F)cc1F ZINC000048374643 557076720 /nfs/dbraw/zinc/07/67/20/557076720.db2.gz OGRUTHPLWXJCAA-JTQLQIEISA-N 0 0 427.245 3.803 50 0 IHAARN O=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023247106 557077918 /nfs/dbraw/zinc/07/79/18/557077918.db2.gz NSDHVNAOISPACO-UHFFFAOYSA-N 0 0 430.504 3.952 50 0 IHAARN Cc1c(-c2ccccc2)sc(NC(=O)CN2CSCC2=O)c1C(=O)N1CCCCC1 ZINC000023272003 557081470 /nfs/dbraw/zinc/08/14/70/557081470.db2.gz CWPSDGWZGLULAS-UHFFFAOYSA-N 0 0 443.594 3.821 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1Cc1ccccc1 ZINC000048985902 557081936 /nfs/dbraw/zinc/08/19/36/557081936.db2.gz IYRGHMORJQNKQE-UHFFFAOYSA-N 0 0 434.452 3.510 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cc(N)n2)cc1 ZINC000023290571 557082166 /nfs/dbraw/zinc/08/21/66/557082166.db2.gz BFXMVCMDRBQELL-FQEVSTJZSA-N 0 0 433.537 3.846 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000011310856 557082392 /nfs/dbraw/zinc/08/23/92/557082392.db2.gz XDYLZIZKRQTFIK-UHFFFAOYSA-N 0 0 425.489 3.895 50 0 IHAARN O=C(c1nnn(-c2ccc(F)cc2)c1-c1ccncc1)N1CCN(c2ccccc2F)CC1 ZINC000048987914 557082858 /nfs/dbraw/zinc/08/28/58/557082858.db2.gz GATXBMRFULITED-UHFFFAOYSA-N 0 0 446.461 3.570 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CC)c(=O)c21 ZINC000048989538 557083479 /nfs/dbraw/zinc/08/34/79/557083479.db2.gz VLJHYOYXQZJWLU-UHFFFAOYSA-N 0 0 444.491 3.700 50 0 IHAARN CCc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)c1 ZINC000049005936 557084542 /nfs/dbraw/zinc/08/45/42/557084542.db2.gz KEIUZERFFUFQLZ-UHFFFAOYSA-N 0 0 430.464 3.775 50 0 IHAARN O=C(/C=C/c1ccco1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000023337438 557084839 /nfs/dbraw/zinc/08/48/39/557084839.db2.gz LEBVILMWXYURMS-ABSORMQESA-N 0 0 435.568 3.656 50 0 IHAARN O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000049007252 557085744 /nfs/dbraw/zinc/08/57/44/557085744.db2.gz DQZHISCHKYNQHI-UHFFFAOYSA-N 0 0 448.470 3.607 50 0 IHAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000049007682 557086048 /nfs/dbraw/zinc/08/60/48/557086048.db2.gz SPIFEWDIGBJLFI-UHFFFAOYSA-N 0 0 441.944 3.779 50 0 IHAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3cc(C)ccc3C)nc12 ZINC000049009100 557087230 /nfs/dbraw/zinc/08/72/30/557087230.db2.gz SPYPDRPSXRUQFJ-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000033308111 557087773 /nfs/dbraw/zinc/08/77/73/557087773.db2.gz OGLOIGNBULLCTF-UHFFFAOYSA-N 0 0 425.558 3.819 50 0 IHAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382417 557089837 /nfs/dbraw/zinc/08/98/37/557089837.db2.gz NNZAJSVAGAQHNK-HXUWFJFHSA-N 0 0 427.464 3.557 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCC(C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760043 557090426 /nfs/dbraw/zinc/09/04/26/557090426.db2.gz JRBFYYSOAPEDOM-SFTDATJTSA-N 0 0 428.554 3.934 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1 ZINC000010908206 557091680 /nfs/dbraw/zinc/09/16/80/557091680.db2.gz NSJGSKKCLZFGTQ-UHFFFAOYSA-N 0 0 446.526 3.943 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000033310375 557094006 /nfs/dbraw/zinc/09/40/06/557094006.db2.gz PANDYLCQDYRMSY-UHFFFAOYSA-N 0 0 436.552 3.927 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@H]1COc1ccc(C(=O)N2CCCC2)cc1 ZINC000033310550 557094269 /nfs/dbraw/zinc/09/42/69/557094269.db2.gz XBFIIKVZZYSZES-FQEVSTJZSA-N 0 0 426.488 3.511 50 0 IHAARN O=C(c1cc(F)ccc1Cl)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310617 557094713 /nfs/dbraw/zinc/09/47/13/557094713.db2.gz RIZABCOYUDUPQN-GOSISDBHSA-N 0 0 446.906 3.635 50 0 IHAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3c(C)cccc3C)ncn2)CC1 ZINC000033312098 557095746 /nfs/dbraw/zinc/09/57/46/557095746.db2.gz GRXLJEVALPXKOG-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN CSc1ccc(CNC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1 ZINC000033312828 557097131 /nfs/dbraw/zinc/09/71/31/557097131.db2.gz RYIIRIQUKCMZPK-DEOSSOPVSA-N 0 0 437.609 3.637 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000033312820 557097264 /nfs/dbraw/zinc/09/72/64/557097264.db2.gz ZKCQRLSUIHEEBV-QHCPKHFHSA-N 0 0 441.959 3.899 50 0 IHAARN COc1cccc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccc(C)cc32)c1 ZINC000049402716 557098312 /nfs/dbraw/zinc/09/83/12/557098312.db2.gz GSXCCNIZYIKDAZ-UHFFFAOYSA-N 0 0 441.553 3.514 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccc(F)cc1)N=C(C(=O)N1CCCCCC1)S2(=O)=O ZINC000049402728 557098319 /nfs/dbraw/zinc/09/83/19/557098319.db2.gz UOLNUVRPKDXADL-UHFFFAOYSA-N 0 0 429.517 3.644 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2 ZINC000023564852 557099114 /nfs/dbraw/zinc/09/91/14/557099114.db2.gz BXZXXOAJMLGPSE-MRXNPFEDSA-N 0 0 428.554 3.934 50 0 IHAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1C ZINC000049406309 557099912 /nfs/dbraw/zinc/09/99/12/557099912.db2.gz JHKSIZAVDRTQGX-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)c1 ZINC000011337016 557100582 /nfs/dbraw/zinc/10/05/82/557100582.db2.gz YMMXZYFAPDKMSA-LJQANCHMSA-N 0 0 428.554 3.981 50 0 IHAARN COc1ccc(Nc2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000017593019 557102318 /nfs/dbraw/zinc/10/23/18/557102318.db2.gz ULYUWBIAXQTMLI-UHFFFAOYSA-N 0 0 425.510 3.746 50 0 IHAARN COc1ccccc1-n1nnc(C(=O)NCc2ccc(SC)cc2)c1-c1ccccn1 ZINC000049406927 557102562 /nfs/dbraw/zinc/10/25/62/557102562.db2.gz ZTPOPLNJZNHOSJ-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN CCc1ccc(NC(=O)CN2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000049411407 557106433 /nfs/dbraw/zinc/10/64/33/557106433.db2.gz AUPZSXVDAAEZTL-UHFFFAOYSA-N 0 0 436.537 3.691 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3ccc(F)cc3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411490 557106620 /nfs/dbraw/zinc/10/66/20/557106620.db2.gz XZOIYNVIJXSLJS-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccccc1Cl ZINC000049411504 557106656 /nfs/dbraw/zinc/10/66/56/557106656.db2.gz DZYGTTZZXQRYBK-UHFFFAOYSA-N 0 0 446.891 3.613 50 0 IHAARN CCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421064 557107525 /nfs/dbraw/zinc/10/75/25/557107525.db2.gz UWTQYTMYYWPDLE-UHFFFAOYSA-N 0 0 428.533 3.923 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325714 557107767 /nfs/dbraw/zinc/10/77/67/557107767.db2.gz MZFYFXGIUHUOPF-QFIPXVFZSA-N 0 0 449.576 3.725 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325697 557107798 /nfs/dbraw/zinc/10/77/98/557107798.db2.gz QYDNZJQGHLICBN-LJQANCHMSA-N 0 0 441.528 3.596 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3nc4c(cccc4C)s3)CC2)c1 ZINC000049443815 557109584 /nfs/dbraw/zinc/10/95/84/557109584.db2.gz WWHPECJJIRCYOJ-UHFFFAOYSA-N 0 0 448.566 3.854 50 0 IHAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000011357923 557110927 /nfs/dbraw/zinc/11/09/27/557110927.db2.gz YMWBWBXDSIMMLM-UHFFFAOYSA-N 0 0 449.326 3.702 50 0 IHAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000023737027 557111953 /nfs/dbraw/zinc/11/19/53/557111953.db2.gz YVJWOIXVPQTLJZ-UHFFFAOYSA-N 0 0 432.549 3.933 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1F ZINC000023738078 557112344 /nfs/dbraw/zinc/11/23/44/557112344.db2.gz PQYZTIFSMDNGRP-UHFFFAOYSA-N 0 0 434.515 3.855 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1c(F)cccc1F ZINC000049549417 557112629 /nfs/dbraw/zinc/11/26/29/557112629.db2.gz NBOOUZSNKGUTAG-ZDUSSCGKSA-N 0 0 430.432 3.561 50 0 IHAARN CN(C)C(=O)[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000017726368 557112631 /nfs/dbraw/zinc/11/26/31/557112631.db2.gz AENABFUBLLEXRL-LJQANCHMSA-N 0 0 435.446 3.690 50 0 IHAARN CS(=O)(=O)c1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)ccc1Cl ZINC000017739969 557112824 /nfs/dbraw/zinc/11/28/24/557112824.db2.gz YJLPATDBNWUBEL-UHFFFAOYSA-N 0 0 431.293 3.915 50 0 IHAARN CC1CCC(N(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)CC1 ZINC000017744276 557115485 /nfs/dbraw/zinc/11/54/85/557115485.db2.gz YMYKCNYTODEWFX-UHFFFAOYSA-N 0 0 436.581 3.969 50 0 IHAARN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000049612989 557115524 /nfs/dbraw/zinc/11/55/24/557115524.db2.gz VLWIXOBSKWNXCX-GOSISDBHSA-N 0 0 443.594 3.916 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000023779767 557116098 /nfs/dbraw/zinc/11/60/98/557116098.db2.gz NSLGVEFRTOYFNC-OAQYLSRUSA-N 0 0 435.503 3.709 50 0 IHAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049590340 557116971 /nfs/dbraw/zinc/11/69/71/557116971.db2.gz CVBMEDGOEAXDKN-TZIWHRDSSA-N 0 0 433.552 3.538 50 0 IHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1c[nH]c2ccccc21 ZINC000017751246 557118074 /nfs/dbraw/zinc/11/80/74/557118074.db2.gz DQRTWXPZOLLNMT-UHFFFAOYSA-N 0 0 446.580 3.887 50 0 IHAARN COc1ccc(N2C(=O)C(=Cc3cc(Br)c(OC)cc3OC)NC2=S)cc1 ZINC000033334356 557118672 /nfs/dbraw/zinc/11/86/72/557118672.db2.gz VOUHXFQUIRBIQZ-OQLLNIDSSA-N 0 0 449.326 3.737 50 0 IHAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1 ZINC000001173710 557119635 /nfs/dbraw/zinc/11/96/35/557119635.db2.gz DGTGHAQSBDAUAX-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 ZINC000085823512 557120328 /nfs/dbraw/zinc/12/03/28/557120328.db2.gz SIKDNANIJKNKPT-HSZRJFAPSA-N 0 0 425.960 3.568 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004790220 557120600 /nfs/dbraw/zinc/12/06/00/557120600.db2.gz GJLWWKNVFFFCCH-IVMQYODDSA-N 0 0 439.581 3.695 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)O[C@@H](C)C2 ZINC000024646479 557121068 /nfs/dbraw/zinc/12/10/68/557121068.db2.gz YYXQGHHWHBTXER-HNNXBMFYSA-N 0 0 438.553 3.581 50 0 IHAARN O=C(Cc1cccc2ccccc21)NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023873248 557121994 /nfs/dbraw/zinc/12/19/94/557121994.db2.gz KHTPPOGDLQJCNE-UHFFFAOYSA-N 0 0 441.984 3.558 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3ccccc3NC(=O)c3ccco3)CC2)cc1F ZINC000023881979 557122682 /nfs/dbraw/zinc/12/26/82/557122682.db2.gz JLSTZXWCTGWKPP-UHFFFAOYSA-N 0 0 437.471 3.638 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000023882442 557123064 /nfs/dbraw/zinc/12/30/64/557123064.db2.gz DJWQVQPTZALYOV-UHFFFAOYSA-N 0 0 434.927 3.945 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 ZINC000023883499 557123847 /nfs/dbraw/zinc/12/38/47/557123847.db2.gz MFJMITLALOOXQV-JBEBIEQOSA-N 0 0 437.446 3.762 50 0 IHAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1NC(=O)c1ccco1 ZINC000024701897 557124238 /nfs/dbraw/zinc/12/42/38/557124238.db2.gz BBQPJAFYWXZFNH-UHFFFAOYSA-N 0 0 432.480 3.726 50 0 IHAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)cc1 ZINC000023994179 557130624 /nfs/dbraw/zinc/13/06/24/557130624.db2.gz IZAKVMYVZZRKJJ-IBGZPJMESA-N 0 0 439.375 3.573 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](c3nccn3C)c3cccc(F)c3)c(=O)oc2c1 ZINC000024016443 557132014 /nfs/dbraw/zinc/13/20/14/557132014.db2.gz FEGGWDBYMILQNL-HSZRJFAPSA-N 0 0 449.482 3.821 50 0 IHAARN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1I ZINC000000678634 557134634 /nfs/dbraw/zinc/13/46/34/557134634.db2.gz JHQXYMLSWJHLKA-MKMNVTDBSA-N 0 0 433.201 3.673 50 0 IHAARN Cc1cccc(Nc2nnc(SC[C@@H](O)COCc3ccc4c(c3)OCO4)s2)c1 ZINC000024094720 557137059 /nfs/dbraw/zinc/13/70/59/557137059.db2.gz SIYUXSIFCPUNNQ-INIZCTEOSA-N 0 0 431.539 3.989 50 0 IHAARN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000000706242 557140075 /nfs/dbraw/zinc/14/00/75/557140075.db2.gz XSCQSEUYQUNHOC-AYIBLLACSA-N 0 0 425.484 3.628 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024192923 557140112 /nfs/dbraw/zinc/14/01/12/557140112.db2.gz WAFQKMKNCAEQGK-QFIPXVFZSA-N 0 0 436.483 3.508 50 0 IHAARN Nc1ccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2ccc(Br)cc2)cc1 ZINC000000713255 557145063 /nfs/dbraw/zinc/14/50/63/557145063.db2.gz PQGLETPGCQDPFC-INIZCTEOSA-N 0 0 428.208 3.641 50 0 IHAARN CC(C)[C@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000024354378 557145061 /nfs/dbraw/zinc/14/50/61/557145061.db2.gz BFAZBSFGPMYEGL-QHCPKHFHSA-N 0 0 444.553 3.502 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(I)c1 ZINC000011430360 557146767 /nfs/dbraw/zinc/14/67/67/557146767.db2.gz JMZCPQQKZIZGGD-UHFFFAOYSA-N 0 0 445.260 3.915 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCC(C(=O)c3ccc(C)cc3C)CC1)C2=O ZINC000024456209 557147459 /nfs/dbraw/zinc/14/74/59/557147459.db2.gz LJVWZEBPTCZEGG-UHFFFAOYSA-N 0 0 432.520 3.719 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 ZINC000000715967 557148045 /nfs/dbraw/zinc/14/80/45/557148045.db2.gz ORJXRQRJNSDOAS-UHFFFAOYSA-N 0 0 430.551 3.990 50 0 IHAARN O=C(CSCc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450435 557149107 /nfs/dbraw/zinc/14/91/07/557149107.db2.gz JBAXGZZYECPWJN-UHFFFAOYSA-N 0 0 445.031 3.604 50 0 IHAARN CCOc1nc(NC(=O)NC(=O)c2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1 ZINC000000719120 557149254 /nfs/dbraw/zinc/14/92/54/557149254.db2.gz KVZROJBXKDNRLQ-UHFFFAOYSA-N 0 0 431.374 3.918 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(CCNC(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000016393947 557151136 /nfs/dbraw/zinc/15/11/36/557151136.db2.gz UIVYWFSNDNZQMN-UHFFFAOYSA-N 0 0 440.613 3.589 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)ccc1F ZINC000011463587 557151596 /nfs/dbraw/zinc/15/15/96/557151596.db2.gz NNOBNBHQYWVGEH-CQSZACIVSA-N 0 0 446.500 3.766 50 0 IHAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043941962 557153043 /nfs/dbraw/zinc/15/30/43/557153043.db2.gz FRWJGNQRKCHMQZ-UHFFFAOYSA-N 0 0 449.429 3.671 50 0 IHAARN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCO[C@@H](C)C1 ZINC000011497277 557153779 /nfs/dbraw/zinc/15/37/79/557153779.db2.gz AORWVYUTWCGTFF-UONOGXRCSA-N 0 0 429.567 3.521 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612708 557155509 /nfs/dbraw/zinc/15/55/09/557155509.db2.gz RRBWJEKVUTXSQC-SFHVURJKSA-N 0 0 432.561 3.505 50 0 IHAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000024712637 557160092 /nfs/dbraw/zinc/16/00/92/557160092.db2.gz AAIJYPYWZIQONE-UHFFFAOYSA-N 0 0 428.476 3.611 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000011549043 557162257 /nfs/dbraw/zinc/16/22/57/557162257.db2.gz ZLLJJERRLJGSPN-OAQYLSRUSA-N 0 0 446.569 3.712 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(C)Cc2cc(-c3ccc(OC)cc3)no2)cc1OCC ZINC000024750120 557162283 /nfs/dbraw/zinc/16/22/83/557162283.db2.gz MXYHFYBRDMBABC-UHFFFAOYSA-N 0 0 446.525 3.968 50 0 IHAARN CCN(C(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1nc2ccccc2s1 ZINC000011543321 557162723 /nfs/dbraw/zinc/16/27/23/557162723.db2.gz QADWCSFTRODZML-UHFFFAOYSA-N 0 0 428.587 3.968 50 0 IHAARN Cn1c(SC[C@H](O)COc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000024828460 557165718 /nfs/dbraw/zinc/16/57/18/557165718.db2.gz ASIMMCQQXURFPA-RDTXWAMCSA-N 0 0 433.917 3.513 50 0 IHAARN Cn1c(SC[C@@H](O)COc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000024828457 557165780 /nfs/dbraw/zinc/16/57/80/557165780.db2.gz ASIMMCQQXURFPA-KBXCAEBGSA-N 0 0 433.917 3.513 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024772855 557166333 /nfs/dbraw/zinc/16/63/33/557166333.db2.gz ZLBFNWJAAYFYPT-HXUWFJFHSA-N 0 0 445.500 3.917 50 0 IHAARN COc1ccc(CNC(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1OC ZINC000207017245 557170645 /nfs/dbraw/zinc/17/06/45/557170645.db2.gz RICWGIABFIWMRN-MRXNPFEDSA-N 0 0 442.541 3.980 50 0 IHAARN COC(=O)c1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc(C(=O)OC)c1 ZINC000024834318 557171550 /nfs/dbraw/zinc/17/15/50/557171550.db2.gz YLHIQTKGYASWCV-UHFFFAOYSA-N 0 0 442.468 3.788 50 0 IHAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 ZINC000024839403 557172992 /nfs/dbraw/zinc/17/29/92/557172992.db2.gz MOJFIGOLADZNNY-OAHLLOKOSA-N 0 0 441.557 3.580 50 0 IHAARN COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1 ZINC000010962917 557178040 /nfs/dbraw/zinc/17/80/40/557178040.db2.gz VOYRAPHVYZEQPS-UHFFFAOYSA-N 0 0 444.443 3.530 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2c[nH]c3ccccc32)cc1 ZINC000024924013 557179389 /nfs/dbraw/zinc/17/93/89/557179389.db2.gz DOQYMKXJVYTZCU-JOCHJYFZSA-N 0 0 438.491 3.714 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)ccc12 ZINC000024955598 557182479 /nfs/dbraw/zinc/18/24/79/557182479.db2.gz ITERMMFTQKBNGW-UHFFFAOYSA-N 0 0 435.476 3.837 50 0 IHAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1C ZINC000024962671 557182766 /nfs/dbraw/zinc/18/27/66/557182766.db2.gz WHYIATHYLOWJKK-HNNXBMFYSA-N 0 0 447.568 3.689 50 0 IHAARN COCCCn1c(=O)c2ccccc2nc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000011551451 557182889 /nfs/dbraw/zinc/18/28/89/557182889.db2.gz MYTRILQVZWIFMU-SFHVURJKSA-N 0 0 443.594 3.950 50 0 IHAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 ZINC000009302469 557185503 /nfs/dbraw/zinc/18/55/03/557185503.db2.gz OIUBAPWGGOPLHT-UHFFFAOYSA-N 0 0 431.587 3.803 50 0 IHAARN CCn1c(COc2ccccc2OC)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009302836 557185748 /nfs/dbraw/zinc/18/57/48/557185748.db2.gz MWYCUJPRCNUNML-CYBMUJFWSA-N 0 0 433.559 3.770 50 0 IHAARN Cc1ccccc1SCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000025053327 557191769 /nfs/dbraw/zinc/19/17/69/557191769.db2.gz LURNJVZBOVWAAB-UHFFFAOYSA-N 0 0 430.595 3.851 50 0 IHAARN C[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000025052422 557191785 /nfs/dbraw/zinc/19/17/85/557191785.db2.gz IKNPQIMMTSBWDJ-MRXNPFEDSA-N 0 0 439.537 3.584 50 0 IHAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1Br)n2CC(=O)OC ZINC000100877130 557195406 /nfs/dbraw/zinc/19/54/06/557195406.db2.gz UHOYBAPBACAWMB-VZCXRCSSSA-N 0 0 449.326 3.778 50 0 IHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(Br)s1 ZINC000100876435 557197721 /nfs/dbraw/zinc/19/77/21/557197721.db2.gz XKKVOKPMVOPATD-SDXDJHTJSA-N 0 0 429.292 3.580 50 0 IHAARN COC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000100876391 557197732 /nfs/dbraw/zinc/19/77/32/557197732.db2.gz AWSVXVFWIROOMC-SWCJLUBCSA-N 0 0 437.340 3.841 50 0 IHAARN CCCCc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 ZINC000025264527 557201721 /nfs/dbraw/zinc/20/17/21/557201721.db2.gz OEAUXYQYVWLPHN-QHCPKHFHSA-N 0 0 435.576 3.592 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100940845 557203150 /nfs/dbraw/zinc/20/31/50/557203150.db2.gz FVLWVOPMFXEDLF-NRFANRHFSA-N 0 0 441.553 3.750 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccs2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100946377 557203413 /nfs/dbraw/zinc/20/34/13/557203413.db2.gz HIPVXSJPQKGMNS-AUUYWEPGSA-N 0 0 447.582 3.571 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccs2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100946371 557203425 /nfs/dbraw/zinc/20/34/25/557203425.db2.gz HIPVXSJPQKGMNS-IFXJQAMLSA-N 0 0 447.582 3.571 50 0 IHAARN Cc1nc(CNC(=O)c2ccc(Cl)c(I)c2)c2n1CCCC2 ZINC000095448267 557205232 /nfs/dbraw/zinc/20/52/32/557205232.db2.gz ABRZSKQJEOPCOB-UHFFFAOYSA-N 0 0 429.689 3.716 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000011610219 557208200 /nfs/dbraw/zinc/20/82/00/557208200.db2.gz AKLVBOCYLMAPIK-UHFFFAOYSA-N 0 0 445.566 3.858 50 0 IHAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000024903135 557209537 /nfs/dbraw/zinc/20/95/37/557209537.db2.gz PEVVCZWDGLXHOT-XMMPIXPASA-N 0 0 442.519 3.902 50 0 IHAARN S=c1n(CN2CCOCC2)nc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000025461319 557211092 /nfs/dbraw/zinc/21/10/92/557211092.db2.gz LRSCFCLMCHUYPV-UHFFFAOYSA-N 0 0 435.347 3.775 50 0 IHAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1OC(F)(F)F ZINC000025534147 557213480 /nfs/dbraw/zinc/21/34/80/557213480.db2.gz JIQKHRGTJDWJKX-NSHDSACASA-N 0 0 441.475 3.693 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1OC ZINC000025613733 557219414 /nfs/dbraw/zinc/21/94/14/557219414.db2.gz VRUPRGGKKPXEFL-MSOLQXFVSA-N 0 0 431.920 3.820 50 0 IHAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000010548901 557223329 /nfs/dbraw/zinc/22/33/29/557223329.db2.gz OAAOXENKPQYUGC-UHFFFAOYSA-N 0 0 433.533 3.991 50 0 IHAARN COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756752 557223705 /nfs/dbraw/zinc/22/37/05/557223705.db2.gz JRBWYOFCHSUGOQ-FQEVSTJZSA-N 0 0 440.496 3.591 50 0 IHAARN COC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C ZINC000097756754 557223789 /nfs/dbraw/zinc/22/37/89/557223789.db2.gz HZKHDOBWFBYJPA-FQEVSTJZSA-N 0 0 425.481 3.799 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)CC1 ZINC000025760324 557224453 /nfs/dbraw/zinc/22/44/53/557224453.db2.gz NVZFGCBSBVTQEN-UHFFFAOYSA-N 0 0 427.570 3.645 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000032949612 557227818 /nfs/dbraw/zinc/22/78/18/557227818.db2.gz NOSPHHKOJVNQAP-UHFFFAOYSA-N 0 0 436.537 3.784 50 0 IHAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCNC(=O)c1ccco1 ZINC000025923932 557230416 /nfs/dbraw/zinc/23/04/16/557230416.db2.gz NDPHHEYSEJTATB-INIZCTEOSA-N 0 0 431.842 3.935 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)CC2)cc1 ZINC000025917749 557230425 /nfs/dbraw/zinc/23/04/25/557230425.db2.gz UXVHMBVLKGEPRH-IBGZPJMESA-N 0 0 440.565 3.730 50 0 IHAARN CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000024926121 557231190 /nfs/dbraw/zinc/23/11/90/557231190.db2.gz USQZNTMOARPSHK-FQEVSTJZSA-N 0 0 443.956 3.909 50 0 IHAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1OC ZINC000098211487 557235082 /nfs/dbraw/zinc/23/50/82/557235082.db2.gz DWGIBYKYDMZVNJ-UHFFFAOYSA-N 0 0 436.443 3.678 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098211779 557235414 /nfs/dbraw/zinc/23/54/14/557235414.db2.gz AOHQVKBSQUZHML-UHFFFAOYSA-N 0 0 429.293 3.941 50 0 IHAARN COc1ccccc1-c1cc(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)on1 ZINC000026237577 557237761 /nfs/dbraw/zinc/23/77/61/557237761.db2.gz ABVLZBPGNHAYDP-UHFFFAOYSA-N 0 0 433.464 3.810 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000026492841 557242589 /nfs/dbraw/zinc/24/25/89/557242589.db2.gz MTEGISDUBFIYQO-SNVBAGLBSA-N 0 0 446.392 3.617 50 0 IHAARN CCCCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccccc3)nn2c1=O ZINC000026534127 557243853 /nfs/dbraw/zinc/24/38/53/557243853.db2.gz NOEUELGASMAJFE-XLNRJJMWSA-N 0 0 447.560 3.609 50 0 IHAARN O=C(CCNC(=O)c1ccccc1)NCCSCc1ccc(Br)s1 ZINC000018161273 557244161 /nfs/dbraw/zinc/24/41/61/557244161.db2.gz FKVKCIUIXLUCMG-UHFFFAOYSA-N 0 0 427.389 3.680 50 0 IHAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(C(C)C)cc2)c3=O)cc1 ZINC000026779350 557248363 /nfs/dbraw/zinc/24/83/63/557248363.db2.gz MXLPTCLCHYYNED-PXLXIMEGSA-N 0 0 447.560 3.562 50 0 IHAARN O=C(Nc1cccc(-n2cnnn2)c1)c1ccoc1COc1ccc(Br)cc1 ZINC000026786614 557248842 /nfs/dbraw/zinc/24/88/42/557248842.db2.gz YMAMSPCNEIYARS-UHFFFAOYSA-N 0 0 440.257 3.849 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000026796711 557249159 /nfs/dbraw/zinc/24/91/59/557249159.db2.gz OWHGDFRCDFHYND-KSSFIOAISA-N 0 0 427.476 3.914 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000026938015 557251683 /nfs/dbraw/zinc/25/16/83/557251683.db2.gz OGACQQIWISJERA-QFIPXVFZSA-N 0 0 435.597 3.998 50 0 IHAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cccc2cccnc21 ZINC000604419676 557251976 /nfs/dbraw/zinc/25/19/76/557251976.db2.gz RKCOQEGUUXYPKX-XMMPIXPASA-N 0 0 434.455 3.988 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)O[C@H](C)C2 ZINC000018238497 557253711 /nfs/dbraw/zinc/25/37/11/557253711.db2.gz VPVVJBYERUGPLC-MRXNPFEDSA-N 0 0 446.569 4.000 50 0 IHAARN COCCOC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O ZINC000018258699 557254621 /nfs/dbraw/zinc/25/46/21/557254621.db2.gz BNXGLAAHILHFSV-UHFFFAOYSA-N 0 0 434.414 3.586 50 0 IHAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000813872 557254871 /nfs/dbraw/zinc/25/48/71/557254871.db2.gz ZINQVWAQABZVGM-UHFFFAOYSA-N 0 0 430.913 3.766 50 0 IHAARN O=c1/c(=C\c2ccc(Cl)c(Cl)c2)sc2nc([C@@H]3COc4ccccc4O3)nn12 ZINC000027020664 557254980 /nfs/dbraw/zinc/25/49/80/557254980.db2.gz FOOSHLSDLOPQAQ-MDNIKOHYSA-N 0 0 432.288 3.518 50 0 IHAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2cccc(OC)c2)c1 ZINC000101114065 557256654 /nfs/dbraw/zinc/25/66/54/557256654.db2.gz BRVIAYCDHYXWDG-WEMUOSSPSA-N 0 0 444.491 3.722 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000816977 557257785 /nfs/dbraw/zinc/25/77/85/557257785.db2.gz ZDHMELBESGZNNV-UHFFFAOYSA-N 0 0 446.569 3.656 50 0 IHAARN CCN(CC)C(=O)CN(C)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000027140568 557257851 /nfs/dbraw/zinc/25/78/51/557257851.db2.gz HJVZHVCRYNLCQJ-WUKNDPDISA-N 0 0 430.552 3.938 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cnc12 ZINC000027153989 557258313 /nfs/dbraw/zinc/25/83/13/557258313.db2.gz ZRYQZBAKZDPCNS-HXUWFJFHSA-N 0 0 433.508 3.620 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000027447862 557262447 /nfs/dbraw/zinc/26/24/47/557262447.db2.gz DERLBGBYEDCPFY-UHFFFAOYSA-N 0 0 443.525 3.562 50 0 IHAARN O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccc2c(c1)OCO2 ZINC000027526616 557263439 /nfs/dbraw/zinc/26/34/39/557263439.db2.gz FZBTZMVFOLFLGM-UHFFFAOYSA-N 0 0 425.514 3.898 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100536435 557264003 /nfs/dbraw/zinc/26/40/03/557264003.db2.gz ARZHICNHPZMVIN-ZRBLBEILSA-N 0 0 430.460 3.755 50 0 IHAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 ZINC000100594832 557265635 /nfs/dbraw/zinc/26/56/35/557265635.db2.gz VNWPAHHRXQZSNJ-QZTJIDSGSA-N 0 0 448.449 3.569 50 0 IHAARN COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C1=O ZINC000101278442 557266385 /nfs/dbraw/zinc/26/63/85/557266385.db2.gz SECGSVQQLYOHTO-WBVHZDCISA-N 0 0 449.688 3.712 50 0 IHAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000027663160 557269491 /nfs/dbraw/zinc/26/94/91/557269491.db2.gz ODPUOPJZIZVPEG-UHFFFAOYSA-N 0 0 426.494 3.786 50 0 IHAARN CCCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 ZINC000027664702 557270611 /nfs/dbraw/zinc/27/06/11/557270611.db2.gz RZIDWKUHUGSLHX-UHFFFAOYSA-N 0 0 435.502 3.692 50 0 IHAARN O=C(NCC(F)(F)F)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000027781942 557273815 /nfs/dbraw/zinc/27/38/15/557273815.db2.gz BXPZYBOGHMDZNH-UHFFFAOYSA-N 0 0 436.356 3.646 50 0 IHAARN COCCn1c(C)cc(C(=O)COC(=O)C=Cc2cc(Cl)c(OC)c(OC)c2)c1C ZINC000013041688 557274064 /nfs/dbraw/zinc/27/40/64/557274064.db2.gz SMSHZIPQOFKBMS-VOTSOKGWSA-N 0 0 435.904 3.861 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3c(C)cccc3CC)C2=O)cc1 ZINC000101159931 557283928 /nfs/dbraw/zinc/28/39/28/557283928.db2.gz WIPDZAXCVOQVBH-IBGZPJMESA-N 0 0 426.538 3.960 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)c1ccc(F)c(F)c1 ZINC000014022584 557284710 /nfs/dbraw/zinc/28/47/10/557284710.db2.gz YVNHPXLRMAKGOO-LBPRGKRZSA-N 0 0 439.370 3.782 50 0 IHAARN Cc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4cccs4)nn3c2=O)cc1C ZINC000101500621 557289787 /nfs/dbraw/zinc/28/97/87/557289787.db2.gz GIUXKWONYHWEKM-UHFFFAOYSA-N 0 0 436.541 3.588 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628680 557291655 /nfs/dbraw/zinc/29/16/55/557291655.db2.gz VSBGXJMFQQTQDH-BGYRXZFFSA-N 0 0 426.538 3.779 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628684 557291703 /nfs/dbraw/zinc/29/17/03/557291703.db2.gz VSBGXJMFQQTQDH-PMACEKPBSA-N 0 0 426.538 3.779 50 0 IHAARN CC(C)C[C@@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000101611811 557291722 /nfs/dbraw/zinc/29/17/22/557291722.db2.gz ZYMNYBJCQFRJBT-SCTDSRPQSA-N 0 0 437.565 3.588 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccc(OCC(F)(F)F)cc1 ZINC000031714559 557291880 /nfs/dbraw/zinc/29/18/80/557291880.db2.gz URDOBFUYAQJRQJ-UHFFFAOYSA-N 0 0 427.444 3.919 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000101628205 557292952 /nfs/dbraw/zinc/29/29/52/557292952.db2.gz DECGURWDURJORX-IRXDYDNUSA-N 0 0 430.501 3.610 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)c(Cl)c4)CC3)c2c1C ZINC000031954335 557296723 /nfs/dbraw/zinc/29/67/23/557296723.db2.gz BZYWQUZWPMKFDC-UHFFFAOYSA-N 0 0 443.960 3.916 50 0 IHAARN COc1ccc(N2CC3(CCN(C(=O)OCc4ccccc4)CC3)OC2=O)cc1OC ZINC000071789074 557298352 /nfs/dbraw/zinc/29/83/52/557298352.db2.gz DXBPVCNHYZNOTA-UHFFFAOYSA-N 0 0 426.469 3.832 50 0 IHAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ncn3n2)cc1C ZINC000011666406 557298380 /nfs/dbraw/zinc/29/83/80/557298380.db2.gz CAMLLEUHXZAFTJ-UHFFFAOYSA-N 0 0 441.413 3.832 50 0 IHAARN O=C(NCCc1ccccc1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828660 557300073 /nfs/dbraw/zinc/30/00/73/557300073.db2.gz POKFXNRYOIDPNF-UHFFFAOYSA-N 0 0 426.451 3.930 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4cccc(C)c4C)c3=O)[nH]2)cc1 ZINC000101834946 557301640 /nfs/dbraw/zinc/30/16/40/557301640.db2.gz YBQSREPOQFDDDN-UHFFFAOYSA-N 0 0 444.539 3.835 50 0 IHAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(C(C)=O)c3)C(=O)C2)c1 ZINC000101881734 557305678 /nfs/dbraw/zinc/30/56/78/557305678.db2.gz AIVHFWLXOFYXGW-UHFFFAOYSA-N 0 0 442.475 3.789 50 0 IHAARN COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014136368 557309294 /nfs/dbraw/zinc/30/92/94/557309294.db2.gz SSPYNFZDDZVKMG-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4ccccc4F)n3N)o2)cc1 ZINC000014138809 557309852 /nfs/dbraw/zinc/30/98/52/557309852.db2.gz VBULYLXFHGDGCN-GFCCVEGCSA-N 0 0 426.477 3.634 50 0 IHAARN CCN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)CC1 ZINC000101990572 557311116 /nfs/dbraw/zinc/31/11/16/557311116.db2.gz DNULNTBDUBJACO-UHFFFAOYSA-N 0 0 425.916 3.689 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000014158460 557311824 /nfs/dbraw/zinc/31/18/24/557311824.db2.gz GAKQFPHNDHERFC-UHFFFAOYSA-N 0 0 448.342 3.560 50 0 IHAARN COc1cccc(CSc2nc(CC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)[nH]2)c1 ZINC000023138202 557312160 /nfs/dbraw/zinc/31/21/60/557312160.db2.gz USFLNNVIVVBANV-UHFFFAOYSA-N 0 0 445.928 3.914 50 0 IHAARN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)N[C@@H]1CCOc2ccccc21 ZINC000032745257 557314682 /nfs/dbraw/zinc/31/46/82/557314682.db2.gz KRSWSFFNUAGZAW-MRXNPFEDSA-N 0 0 430.917 3.769 50 0 IHAARN Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)sc1-c1nccn1C(F)F ZINC000032764581 557315201 /nfs/dbraw/zinc/31/52/01/557315201.db2.gz USGLEBKJHAZTEE-GFCCVEGCSA-N 0 0 435.456 3.794 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)C1=O ZINC000032859603 557316529 /nfs/dbraw/zinc/31/65/29/557316529.db2.gz RBNSTFNVRCEQID-XMMPIXPASA-N 0 0 441.503 3.928 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(F)cc1 ZINC000102255700 557316711 /nfs/dbraw/zinc/31/67/11/557316711.db2.gz WNUSGFGLKWSSMO-FQEVSTJZSA-N 0 0 429.517 3.976 50 0 IHAARN COc1ccccc1/C=C(/C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000032907949 557317468 /nfs/dbraw/zinc/31/74/68/557317468.db2.gz ZPOMAEPUURXFLK-HAVVHWLPSA-N 0 0 429.520 3.784 50 0 IHAARN C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925151 557318215 /nfs/dbraw/zinc/31/82/15/557318215.db2.gz DTSYLWCBQVAMQP-QGZVFWFLSA-N 0 0 426.476 3.526 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccccc1 ZINC000032987110 557321622 /nfs/dbraw/zinc/32/16/22/557321622.db2.gz WBPKUJQMWPGYDX-UHFFFAOYSA-N 0 0 432.958 3.993 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000033040279 557322844 /nfs/dbraw/zinc/32/28/44/557322844.db2.gz OVKUMFSBRGBRNM-ROUUACIJSA-N 0 0 447.576 3.673 50 0 IHAARN CCC(=O)N(c1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)s1)C1CC1 ZINC000014232959 557327192 /nfs/dbraw/zinc/32/71/92/557327192.db2.gz QETOGQKRPLMOSG-UHFFFAOYSA-N 0 0 430.555 3.545 50 0 IHAARN COc1ccc(Cl)cc1Nc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2n1 ZINC000033250571 557327388 /nfs/dbraw/zinc/32/73/88/557327388.db2.gz HEIUEEJZFYVRBK-UHFFFAOYSA-N 0 0 433.917 3.661 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)C1 ZINC000033264440 557328357 /nfs/dbraw/zinc/32/83/57/557328357.db2.gz UAOQTDJVGGGSDJ-QHCPKHFHSA-N 0 0 434.584 3.785 50 0 IHAARN O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014248131 557329802 /nfs/dbraw/zinc/32/98/02/557329802.db2.gz FOVCTGGZLWQWQR-CYBMUJFWSA-N 0 0 436.883 3.548 50 0 IHAARN COc1cc([C@@H]2CC(=O)c3c[nH]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc(OC)c1OC ZINC000100130388 557331817 /nfs/dbraw/zinc/33/18/17/557331817.db2.gz DYTXFCFILVTMCI-AWEZNQCLSA-N 0 0 445.475 3.652 50 0 IHAARN Cc1ccnc(-n2cc(S(=O)(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cn2)c1 ZINC000222139857 557334190 /nfs/dbraw/zinc/33/41/90/557334190.db2.gz NUXYFCRFKKCRCF-IFMALSPDSA-N 0 0 440.569 3.633 50 0 IHAARN O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1CN1CCCCC1 ZINC000033394337 557334467 /nfs/dbraw/zinc/33/44/67/557334467.db2.gz AEDPXMDDTQCFLU-UVTDQMKNSA-N 0 0 428.295 3.771 50 0 IHAARN CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1C[N@H+](CCCc1ccccc1)CC2 ZINC000014541282 557340600 /nfs/dbraw/zinc/34/06/00/557340600.db2.gz ISOIFFHYPJLIGW-UHFFFAOYSA-N 0 0 432.568 3.681 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2C)c1ccccc1 ZINC000011680645 557352465 /nfs/dbraw/zinc/35/24/65/557352465.db2.gz OBPISKSJOTZKJN-OAHLLOKOSA-N 0 0 446.536 3.585 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4cccs4)n3)CC2)cc1 ZINC000023426568 557353742 /nfs/dbraw/zinc/35/37/42/557353742.db2.gz LUJBPSJLMZQXRM-UHFFFAOYSA-N 0 0 428.583 3.669 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1F ZINC000023437902 557354656 /nfs/dbraw/zinc/35/46/56/557354656.db2.gz KRHDPVBLVHTQFG-UHFFFAOYSA-N 0 0 449.573 3.899 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102588474 557356426 /nfs/dbraw/zinc/35/64/26/557356426.db2.gz IQJTYTKCRBOFML-UFYCRDLUSA-N 0 0 426.513 3.558 50 0 IHAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccccc3Cl)CC2)c1Cc1ccccc1 ZINC000023462005 557361148 /nfs/dbraw/zinc/36/11/48/557361148.db2.gz ZUKFZRJIFSAACH-UHFFFAOYSA-N 0 0 446.942 3.639 50 0 IHAARN CCOC(=O)[C@@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000102649254 557361205 /nfs/dbraw/zinc/36/12/05/557361205.db2.gz QGBSTFRTQTXPJH-HBMCJLEFSA-N 0 0 435.476 3.827 50 0 IHAARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000033787200 557366139 /nfs/dbraw/zinc/36/61/39/557366139.db2.gz HPLJYAALPGBUFM-UHFFFAOYSA-N 0 0 440.521 3.918 50 0 IHAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 ZINC000220813301 557367205 /nfs/dbraw/zinc/36/72/05/557367205.db2.gz PJXMDSVAISWAQJ-FQEVSTJZSA-N 0 0 448.523 3.753 50 0 IHAARN Cc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)C[C@@H]2C)c1 ZINC000049662054 557376278 /nfs/dbraw/zinc/37/62/78/557376278.db2.gz XZCQJZYHYNIVDU-RTFTXLQBSA-N 0 0 438.612 3.791 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@@H]1c1cccc(F)c1 ZINC000102749199 557379191 /nfs/dbraw/zinc/37/91/91/557379191.db2.gz CJZFFOLYXZJTHC-HXUWFJFHSA-N 0 0 441.484 3.873 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c(OC)c1OC ZINC000102793827 557388496 /nfs/dbraw/zinc/38/84/96/557388496.db2.gz PBOCLYDLTGYJMB-OAHLLOKOSA-N 0 0 444.289 3.517 50 0 IHAARN Cc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1F ZINC000011694140 557392075 /nfs/dbraw/zinc/39/20/75/557392075.db2.gz WQYXJVRXXBAXQP-UHFFFAOYSA-N 0 0 444.894 3.906 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102829998 557394047 /nfs/dbraw/zinc/39/40/47/557394047.db2.gz KOOYBPSPEFYTKQ-BULFRSBZSA-N 0 0 447.535 3.634 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccnc3)N2[C@@H]1c1ccccc1C ZINC000102849608 557395291 /nfs/dbraw/zinc/39/52/91/557395291.db2.gz DQZWZOHFRPQGDX-JOCHJYFZSA-N 0 0 448.548 3.844 50 0 IHAARN CCNC(=O)[C@H](C)OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000024107486 557396150 /nfs/dbraw/zinc/39/61/50/557396150.db2.gz DLIODOSVICVPCO-AWEZNQCLSA-N 0 0 431.945 3.898 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000013955964 557397732 /nfs/dbraw/zinc/39/77/32/557397732.db2.gz SCHPEJGRAJOTRP-APWZRJJASA-N 0 0 443.617 3.883 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000013956407 557398256 /nfs/dbraw/zinc/39/82/56/557398256.db2.gz QCBNAUATFLNTBK-AWEZNQCLSA-N 0 0 433.553 3.548 50 0 IHAARN CCOc1ccccc1N1CCN(C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004868057 557398985 /nfs/dbraw/zinc/39/89/85/557398985.db2.gz VKOGOVJXOGKGCJ-UHFFFAOYSA-N 0 0 427.614 3.825 50 0 IHAARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(C)=O ZINC000004920132 557404551 /nfs/dbraw/zinc/40/45/51/557404551.db2.gz QKGLUJMSCDEIQW-UHFFFAOYSA-N 0 0 430.545 3.825 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(C)cc3)CC2)c1 ZINC000033538403 557408711 /nfs/dbraw/zinc/40/87/11/557408711.db2.gz IXKFBUVSLXMESZ-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000102945761 557413324 /nfs/dbraw/zinc/41/33/24/557413324.db2.gz ROHKHMMDPRCUDZ-KDURUIRLSA-N 0 0 433.508 3.751 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)sc2C)cc1 ZINC000103029071 557416631 /nfs/dbraw/zinc/41/66/31/557416631.db2.gz VMJILGNOZBRJAU-CALCHBBNSA-N 0 0 427.526 3.631 50 0 IHAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000103140259 557422482 /nfs/dbraw/zinc/42/24/82/557422482.db2.gz JMUHLGHJSMADLW-IEBWSBKVSA-N 0 0 443.297 3.921 50 0 IHAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000103533704 557437814 /nfs/dbraw/zinc/43/78/14/557437814.db2.gz VXCLYNXHHVLCPH-SSUZURRFSA-N 0 0 448.522 3.997 50 0 IHAARN COc1ccccc1CN(C(=O)C(C)C)c1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101861209 557457648 /nfs/dbraw/zinc/45/76/48/557457648.db2.gz YHGJDGJOGUKHBG-UHFFFAOYSA-N 0 0 445.523 3.515 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1Cl ZINC000085690591 557458935 /nfs/dbraw/zinc/45/89/35/557458935.db2.gz KNXPOLPHJBRMMM-OAHLLOKOSA-N 0 0 439.903 3.625 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000051316438 557464309 /nfs/dbraw/zinc/46/43/09/557464309.db2.gz IGRSSNOPCZTAJZ-UHFFFAOYSA-N 0 0 449.536 3.855 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1Cl ZINC000051316718 557465041 /nfs/dbraw/zinc/46/50/41/557465041.db2.gz AYBSQOLJENASCC-UHFFFAOYSA-N 0 0 441.900 3.502 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCc1ccco1)C2 ZINC000104917421 557465488 /nfs/dbraw/zinc/46/54/88/557465488.db2.gz LFDRODZBCTVGLP-ILBGXUMGSA-N 0 0 431.536 3.781 50 0 IHAARN CCOc1cccc(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c1 ZINC000051317886 557469607 /nfs/dbraw/zinc/46/96/07/557469607.db2.gz ANHRBSKOEFTGQD-UHFFFAOYSA-N 0 0 429.318 3.975 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000105009767 557471985 /nfs/dbraw/zinc/47/19/85/557471985.db2.gz CJPSMETXTZBKLW-DHIUTWEWSA-N 0 0 437.515 3.921 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c1 ZINC000085737259 557492173 /nfs/dbraw/zinc/49/21/73/557492173.db2.gz XNMFNTFXEQWNRI-QGZVFWFLSA-N 0 0 448.548 3.786 50 0 IHAARN CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc(-c4ccc[nH]4)o3)CC2)cc1 ZINC000018366648 557498843 /nfs/dbraw/zinc/49/88/43/557498843.db2.gz LGWSXDDMRGSWJC-UHFFFAOYSA-N 0 0 425.558 3.625 50 0 IHAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000018381072 557501265 /nfs/dbraw/zinc/50/12/65/557501265.db2.gz LOLLRIRVFTXSGF-HXUWFJFHSA-N 0 0 443.525 3.546 50 0 IHAARN COCCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccncc1 ZINC000105577220 557507719 /nfs/dbraw/zinc/50/77/19/557507719.db2.gz NCLZKKZQOFTDFP-UHFFFAOYSA-N 0 0 425.558 3.665 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914146 557513467 /nfs/dbraw/zinc/51/34/67/557513467.db2.gz SRFRXRMYDJBWMI-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN CSc1nn(CC(=O)Nc2cc(F)ccc2C)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914200 557513519 /nfs/dbraw/zinc/51/35/19/557513519.db2.gz CWSKAUJBFQZJTC-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3ccc(C)c(C)c3)nc3cccnc32)c1 ZINC000047146176 557517513 /nfs/dbraw/zinc/51/75/13/557517513.db2.gz JIMYJGMPBBEFBV-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccccc1Cl ZINC000002626061 557521525 /nfs/dbraw/zinc/52/15/25/557521525.db2.gz JMEMOYPHHZVXAR-FMIVXFBMSA-N 0 0 430.913 3.741 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012062468 557525899 /nfs/dbraw/zinc/52/58/99/557525899.db2.gz TYXAQOSVTYHWJJ-KRWDZBQOSA-N 0 0 430.913 3.825 50 0 IHAARN COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc32)cc1 ZINC000107542361 557536174 /nfs/dbraw/zinc/53/61/74/557536174.db2.gz YOJVUTYLYMRCJT-GGAORHGYSA-N 0 0 426.538 3.613 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000044839593 557539157 /nfs/dbraw/zinc/53/91/57/557539157.db2.gz SZNWZLNZJCIPIZ-UHFFFAOYSA-N 0 0 441.531 3.915 50 0 IHAARN COc1ccc2nc(NC(=O)CSCc3nc4sc(C)cc4c(=O)[nH]3)sc2c1 ZINC000044900787 557540064 /nfs/dbraw/zinc/54/00/64/557540064.db2.gz BDKJNDLZYXCHKW-UHFFFAOYSA-N 0 0 432.552 3.783 50 0 IHAARN Cc1cc2c(nc(CSCC(=O)Nc3nnc(Cc4ccccc4)s3)[nH]c2=O)s1 ZINC000044920854 557540899 /nfs/dbraw/zinc/54/08/99/557540899.db2.gz GRUMVTRETJDVNT-UHFFFAOYSA-N 0 0 443.579 3.607 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000045570116 557543987 /nfs/dbraw/zinc/54/39/87/557543987.db2.gz XGZXISGHIPZWNC-UHFFFAOYSA-N 0 0 425.492 3.968 50 0 IHAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000045900222 557547079 /nfs/dbraw/zinc/54/70/79/557547079.db2.gz IXLFZMLPALBCCI-UHFFFAOYSA-N 0 0 441.531 3.515 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccccc1F ZINC000045900667 557547298 /nfs/dbraw/zinc/54/72/98/557547298.db2.gz KQUBNNJQXFLLAH-UHFFFAOYSA-N 0 0 427.501 3.818 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)ccc1C)C(=O)CS2 ZINC000045960843 557554844 /nfs/dbraw/zinc/55/48/44/557554844.db2.gz STPJPOJMGWFWJN-UHFFFAOYSA-N 0 0 425.554 3.863 50 0 IHAARN O=C(Nc1cc(-n2cnnn2)ccc1N1CCCCC1)c1ccccc1Br ZINC000045961228 557555101 /nfs/dbraw/zinc/55/51/01/557555101.db2.gz LQROZEWPRVXTPR-UHFFFAOYSA-N 0 0 427.306 3.667 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000040104231 557691555 /nfs/dbraw/zinc/69/15/55/557691555.db2.gz RUATYUXIWMGWBG-UHFFFAOYSA-N 0 0 439.438 3.976 50 0 IHAARN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H](C(N)=O)CC[C@@H]3C)n2)CCC4)CC1 ZINC000040135313 557699472 /nfs/dbraw/zinc/69/94/72/557699472.db2.gz RDOMOYQTZHFDBA-HOTGVXAUSA-N 0 0 427.618 3.502 50 0 IHAARN Cc1noc(C2CCN(CC(=O)N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)CC2)n1 ZINC000040156394 557706596 /nfs/dbraw/zinc/70/65/96/557706596.db2.gz BUSAATUOIXPLLJ-OAQYLSRUSA-N 0 0 433.512 3.837 50 0 IHAARN CCNC(=O)c1cc(NS(=O)(=O)Cc2cccc(Br)c2)nc2ccccc21 ZINC000225399718 557718452 /nfs/dbraw/zinc/71/84/52/557718452.db2.gz JJTVFWVYPPMBBW-UHFFFAOYSA-N 0 0 448.342 3.689 50 0 IHAARN COCCOCCOc1ccc(CN2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000225573589 557745043 /nfs/dbraw/zinc/74/50/43/557745043.db2.gz FPIHWRCOTRHVOT-IBGZPJMESA-N 0 0 434.527 3.885 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)[C@@H](c2ccncc2)C1 ZINC000225844839 557784469 /nfs/dbraw/zinc/78/44/69/557784469.db2.gz VROGBAUUGAIZAG-LJQANCHMSA-N 0 0 432.471 3.592 50 0 IHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000227233748 557814057 /nfs/dbraw/zinc/81/40/57/557814057.db2.gz NRXABIVYYLKARO-TXNPELCJSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)cc2)cc1OC ZINC000000854483 557831268 /nfs/dbraw/zinc/83/12/68/557831268.db2.gz ACSBVZUBFVZHFS-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2F)cc1 ZINC000000857930 557831569 /nfs/dbraw/zinc/83/15/69/557831569.db2.gz HOGQZOXVFFGVTE-UHFFFAOYSA-N 0 0 426.513 3.988 50 0 IHAARN COc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2OC)cc1 ZINC000000862682 557836051 /nfs/dbraw/zinc/83/60/51/557836051.db2.gz NOKJOCKDOIHCAL-MOSHPQCFSA-N 0 0 446.459 3.842 50 0 IHAARN COc1cc2nc3n(c(=O)c2cc1OC)NC(=O)C(c1ccccc1)(c1ccccc1)S3 ZINC000685944353 557839034 /nfs/dbraw/zinc/83/90/34/557839034.db2.gz MLAWXLUAVLSGSH-UHFFFAOYSA-N 0 0 445.500 3.533 50 0 IHAARN O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000239165090 557842997 /nfs/dbraw/zinc/84/29/97/557842997.db2.gz NKYUOQBQYKWOCJ-VAMGGRTRSA-N 0 0 446.979 3.823 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000239351911 557844211 /nfs/dbraw/zinc/84/42/11/557844211.db2.gz AAMMBBSCMOHWGA-BZSOYRFXSA-N 0 0 429.561 3.728 50 0 IHAARN CS(=O)(=O)c1ccc(-c2nnc(N3C[C@H]4CCC[C@@H]4C3)n2CCc2ccccc2)cc1 ZINC000239527564 557844769 /nfs/dbraw/zinc/84/47/69/557844769.db2.gz ATBXRIXRJDKPBO-NHCUHLMSSA-N 0 0 436.581 3.828 50 0 IHAARN c1nc([C@H]2COCCN2c2ncnc3sc4c(c32)CCCC4)n(Cc2ccccc2)n1 ZINC000242147501 557847244 /nfs/dbraw/zinc/84/72/44/557847244.db2.gz WSHYASGDSAZKBG-GOSISDBHSA-N 0 0 432.553 3.788 50 0 IHAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000018707797 557855330 /nfs/dbraw/zinc/85/53/30/557855330.db2.gz WNHVMUFOUFBSDZ-UHFFFAOYSA-N 0 0 440.287 3.555 50 0 IHAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1cccc(Br)c1 ZINC000001073840 560180359 /nfs/dbraw/zinc/18/03/59/560180359.db2.gz MRNXGEXTEVMGJH-OAHLLOKOSA-N 0 0 442.265 3.813 50 0 biogenic,in-vitro IHAARN COc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br ZINC000000754075 562919188 /nfs/dbraw/zinc/91/91/88/562919188.db2.gz HTGOUAGUWLGIND-UHFFFAOYSA-N 0 0 433.096 3.747 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4c(-c5ccc(F)cc5)cnn43)C(=O)N1CC2 ZINC000001390396 562921642 /nfs/dbraw/zinc/92/16/42/562921642.db2.gz OTLIAQMNEJBBEC-HXUWFJFHSA-N 0 0 444.466 3.848 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c(OC)c1 ZINC000002153181 562925993 /nfs/dbraw/zinc/92/59/93/562925993.db2.gz CNTURQDTTYMYSJ-OFVILXPXSA-N 0 0 447.535 3.526 50 0 biogenic IHAARN COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1 ZINC000002222365 562926444 /nfs/dbraw/zinc/92/64/44/562926444.db2.gz FYQTYHZBDUIZJY-CQSZACIVSA-N 0 0 433.464 3.667 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000002427283 562927594 /nfs/dbraw/zinc/92/75/94/562927594.db2.gz LGGOFPMWMXXCQN-TZMCWYRMSA-N 0 0 432.325 3.570 50 0 IHAARN CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc(OCC)c1OCC ZINC000002494139 562928146 /nfs/dbraw/zinc/92/81/46/562928146.db2.gz LGROEEKDMGPWFX-WJOKGBTCSA-N 0 0 449.573 3.849 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2)no1 ZINC000002720636 562929936 /nfs/dbraw/zinc/92/99/36/562929936.db2.gz YPMNMOFMBKZUFP-UHFFFAOYSA-N 0 0 431.477 3.894 50 0 IHAARN COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)cc1 ZINC000002909284 562930497 /nfs/dbraw/zinc/93/04/97/562930497.db2.gz WWWJHPAFQFXWBI-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O ZINC000002925121 562930525 /nfs/dbraw/zinc/93/05/25/562930525.db2.gz OVGBFFNHJHGUKT-GFCCVEGCSA-N 0 0 431.539 3.946 50 0 IHAARN COc1ccc(Cl)cc1N1C(=O)CN(Cc2cc(OC)c(OC)c(OC)c2)C1=S ZINC000003028212 562931920 /nfs/dbraw/zinc/93/19/20/562931920.db2.gz XHFFCZYPJYKBJC-UHFFFAOYSA-N 0 0 436.917 3.508 50 0 IHAARN COc1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=NCC2=O)c(OC)c1 ZINC000003051426 562932278 /nfs/dbraw/zinc/93/22/78/562932278.db2.gz RMNVBPUGRYQCJK-UHFFFAOYSA-N 0 0 429.476 3.527 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003186407 562932644 /nfs/dbraw/zinc/93/26/44/562932644.db2.gz KTEFAYCEBCKRTL-LJQANCHMSA-N 0 0 427.551 3.992 50 0 aggregator IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003328332 562934282 /nfs/dbraw/zinc/93/42/82/562934282.db2.gz PHYHGPIRVCOKNH-UHFFFAOYSA-N 0 0 437.443 3.639 50 0 IHAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003334672 562934371 /nfs/dbraw/zinc/93/43/71/562934371.db2.gz SROFLAUNIKTWQV-UHFFFAOYSA-N 0 0 444.346 3.649 50 0 IHAARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003413061 562935400 /nfs/dbraw/zinc/93/54/00/562935400.db2.gz MGGIWMQPXVTQIB-UHFFFAOYSA-N 0 0 439.566 3.718 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(F)cc1 ZINC000003429903 562935705 /nfs/dbraw/zinc/93/57/05/562935705.db2.gz WIIRKLNGDBZFML-KRWDZBQOSA-N 0 0 439.350 3.756 50 0 IHAARN COc1cc(C(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc(OC)c1OC ZINC000003437618 562935822 /nfs/dbraw/zinc/93/58/22/562935822.db2.gz ZFZCJBLYESDOLS-UGKGYDQZSA-N 0 0 440.540 3.661 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 ZINC000003462505 562936168 /nfs/dbraw/zinc/93/61/68/562936168.db2.gz CNXVTYIFXCCNBZ-UHFFFAOYSA-N 0 0 429.542 3.851 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(F)(F)F ZINC000003491687 562936286 /nfs/dbraw/zinc/93/62/86/562936286.db2.gz PIYZZMYURWBXRV-UHFFFAOYSA-N 0 0 444.251 3.977 50 0 IHAARN COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1 ZINC000003606141 562936792 /nfs/dbraw/zinc/93/67/92/562936792.db2.gz XQMZJUMRTASDJY-UHFFFAOYSA-N 0 0 441.487 3.807 50 0 IHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3[nH]c2=S)c(OC)c1 ZINC000003630160 562937002 /nfs/dbraw/zinc/93/70/02/562937002.db2.gz XRVBLCKEFXLQRO-UHFFFAOYSA-N 0 0 439.537 3.754 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)C[S@](=O)C3)cc1 ZINC000004105955 562941997 /nfs/dbraw/zinc/94/19/97/562941997.db2.gz GAOQHYRVHVSQBK-MFHORNHTSA-N 0 0 425.554 3.798 50 0 IHAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000006577793 562947892 /nfs/dbraw/zinc/94/78/92/562947892.db2.gz VLNFWEAQVNZMNH-UHFFFAOYSA-N 0 0 433.537 3.936 50 0 IHAARN CCCCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1 ZINC000008583595 562949826 /nfs/dbraw/zinc/94/98/26/562949826.db2.gz YJYZKNMADQSUNG-UHFFFAOYSA-N 0 0 432.981 3.931 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(CC(C)C)c3ccccc3)s2)cc1 ZINC000008587886 562950536 /nfs/dbraw/zinc/95/05/36/562950536.db2.gz UXURGDZEVWBWMI-UHFFFAOYSA-N 0 0 446.554 3.650 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc21 ZINC000008588018 562950600 /nfs/dbraw/zinc/95/06/00/562950600.db2.gz MIMPCXYJQSQTNH-JOCHJYFZSA-N 0 0 434.927 3.902 50 0 IHAARN COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3)c2=O)CCC4)c(OC)c1 ZINC000008592014 562952210 /nfs/dbraw/zinc/95/22/10/562952210.db2.gz SSTASOQUQMQTKG-UHFFFAOYSA-N 0 0 434.517 3.768 50 0 IHAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCC(C)CC4)ccc3c2=O)s1 ZINC000008593115 562952543 /nfs/dbraw/zinc/95/25/43/562952543.db2.gz YVSWJHJZZFJRLX-UHFFFAOYSA-N 0 0 449.536 3.929 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccccc1C)nc2C ZINC000008593419 562952698 /nfs/dbraw/zinc/95/26/98/562952698.db2.gz IKCRYLPVGBHNSV-IBGZPJMESA-N 0 0 429.524 3.693 50 0 IHAARN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)s2)cc1 ZINC000008594486 562952992 /nfs/dbraw/zinc/95/29/92/562952992.db2.gz DMCMCWLLZVKCNW-UHFFFAOYSA-N 0 0 436.946 3.573 50 0 IHAARN CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000008595278 562953407 /nfs/dbraw/zinc/95/34/07/562953407.db2.gz FIPNXDSUMLBDQK-UHFFFAOYSA-N 0 0 428.554 3.523 50 0 IHAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(F)c1)c1ccc(C)cc1 ZINC000008595584 562953537 /nfs/dbraw/zinc/95/35/37/562953537.db2.gz XTKQPRBPKUTCCV-UHFFFAOYSA-N 0 0 430.505 3.616 50 0 IHAARN CCN(C(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccc(OC)cc1 ZINC000008595970 562953723 /nfs/dbraw/zinc/95/37/23/562953723.db2.gz IWMDBGIDQMOQEM-UHFFFAOYSA-N 0 0 436.443 3.642 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000008604285 562956303 /nfs/dbraw/zinc/95/63/03/562956303.db2.gz UYDOYNOEKHZKLA-UHFFFAOYSA-N 0 0 434.883 3.683 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000008606582 562957064 /nfs/dbraw/zinc/95/70/64/562957064.db2.gz FBZWOXAVQVJGPI-VWLOTQADSA-N 0 0 441.487 3.899 50 0 aggregator IHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000008607679 562957352 /nfs/dbraw/zinc/95/73/52/562957352.db2.gz PXXFOYMHNDPVKJ-HNNXBMFYSA-N 0 0 449.488 3.519 50 0 IHAARN Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1C ZINC000008619693 562959984 /nfs/dbraw/zinc/95/99/84/562959984.db2.gz ONMAFLDULWWRNY-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCCOc2cccc(Br)c2)cc1 ZINC000008626047 562959999 /nfs/dbraw/zinc/95/99/99/562959999.db2.gz MOGQSRYBLHOYJK-UHFFFAOYSA-N 0 0 427.316 3.544 50 0 IHAARN Cn1c2cn(CCc3ccccc3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000008654565 562960221 /nfs/dbraw/zinc/96/02/21/562960221.db2.gz GHLONDJQEDCYSJ-UHFFFAOYSA-N 0 0 438.325 3.711 50 0 IHAARN NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000008666632 562960492 /nfs/dbraw/zinc/96/04/92/562960492.db2.gz ODSJXDFQOLUBFT-GOSISDBHSA-N 0 0 436.537 3.683 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccco2)cc1 ZINC000008696107 562963714 /nfs/dbraw/zinc/96/37/14/562963714.db2.gz UBIHHMDQMJEJLR-UWJYYQICSA-N 0 0 434.558 3.564 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000008878074 562965659 /nfs/dbraw/zinc/96/56/59/562965659.db2.gz MOUXCHDFJJVLRM-GFCCVEGCSA-N 0 0 445.869 3.547 50 0 IHAARN CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl ZINC000008916808 562966086 /nfs/dbraw/zinc/96/60/86/562966086.db2.gz ZCCMVUNZUGZJAF-UHFFFAOYSA-N 0 0 449.891 3.894 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000009185035 562967953 /nfs/dbraw/zinc/96/79/53/562967953.db2.gz DYWDXCOWNAZZHF-HOTGVXAUSA-N 0 0 425.934 3.533 50 0 IHAARN COc1ccccc1/C=C/c1nc(S(=O)(=O)c2ccccc2)c(NCCN(C)C)o1 ZINC000009410188 562970311 /nfs/dbraw/zinc/97/03/11/562970311.db2.gz JGTGNSRHAUKYAO-BUHFOSPRSA-N 0 0 427.526 3.660 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc21 ZINC000009490945 562971965 /nfs/dbraw/zinc/97/19/65/562971965.db2.gz QGNNSBSMEXYMLW-UHFFFAOYSA-N 0 0 430.913 3.766 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O ZINC000009591799 562973672 /nfs/dbraw/zinc/97/36/72/562973672.db2.gz DAMMLSAOMKIECX-RNODOKPDSA-N 0 0 437.334 3.629 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000009712455 562975716 /nfs/dbraw/zinc/97/57/16/562975716.db2.gz WORVIXNPEBUEGY-UHFFFAOYSA-N 0 0 432.480 3.769 50 0 IHAARN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000009713551 562975751 /nfs/dbraw/zinc/97/57/51/562975751.db2.gz OGVQGTFYENELQK-UHFFFAOYSA-N 0 0 428.514 3.700 50 0 IHAARN Cc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1 ZINC000009963523 562978079 /nfs/dbraw/zinc/97/80/79/562978079.db2.gz GRRPMDSXCMSNQQ-UHFFFAOYSA-N 0 0 441.531 3.757 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1C ZINC000010286027 562978641 /nfs/dbraw/zinc/97/86/41/562978641.db2.gz QRFPVHRIVACNMM-QGZVFWFLSA-N 0 0 432.508 3.505 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000013003000 562983913 /nfs/dbraw/zinc/98/39/13/562983913.db2.gz MNKNBDBGPIFRHR-QFIPXVFZSA-N 0 0 444.622 3.711 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000013005048 562983966 /nfs/dbraw/zinc/98/39/66/562983966.db2.gz PVJNBJZGFVINMD-UHFFFAOYSA-N 0 0 434.492 3.994 50 0 IHAARN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000014672513 563014677 /nfs/dbraw/zinc/01/46/77/563014677.db2.gz LVSDDMGNEWJFDZ-UHFFFAOYSA-N 0 0 442.544 3.637 50 0 IHAARN CSc1ccc(CNC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 ZINC000015943095 563019886 /nfs/dbraw/zinc/01/98/86/563019886.db2.gz ZKOKODCTDDNPCI-KRWDZBQOSA-N 0 0 447.564 3.798 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000016689891 563021047 /nfs/dbraw/zinc/02/10/47/563021047.db2.gz RNTUOCIJEKYCQQ-UHFFFAOYSA-N 0 0 433.478 3.838 50 0 IHAARN COc1ccccc1N1CCN([C@H](CNC(=O)Oc2ccccc2)c2cccnc2)CC1 ZINC000058134056 563143408 /nfs/dbraw/zinc/14/34/08/563143408.db2.gz BVQOJJBYAZZTJC-HSZRJFAPSA-N 0 0 432.524 3.742 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000095545566 563180731 /nfs/dbraw/zinc/18/07/31/563180731.db2.gz LSLSSNRTTHBCGM-HZPDHXFCSA-N 0 0 435.446 3.585 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000018972200 568630911 /nfs/dbraw/zinc/63/09/11/568630911.db2.gz SRVFBQVDZOSDCE-UHFFFAOYSA-N 0 0 435.911 3.694 50 0 IHAARN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1ccccc1N1CCOCC1 ZINC000015039126 568634372 /nfs/dbraw/zinc/63/43/72/568634372.db2.gz FYWOKMLNFQAQFU-INIZCTEOSA-N 0 0 432.362 3.745 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CC(=O)Oc2ccccc21 ZINC000000938299 568639540 /nfs/dbraw/zinc/63/95/40/568639540.db2.gz JXYUQFSQDHKICY-UHFFFAOYSA-N 0 0 436.489 3.956 50 0 IHAARN CCOC(=O)c1nc2ccccc2nc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000025142723 568640237 /nfs/dbraw/zinc/64/02/37/568640237.db2.gz NBYCXQKBLZJNLN-UHFFFAOYSA-N 0 0 446.532 3.984 50 0 IHAARN O=C(NCc1ccc2c3c(cccc31)C(=O)N2)c1ccc(I)cc1 ZINC000000956944 568646068 /nfs/dbraw/zinc/64/60/68/568646068.db2.gz BEZOOSPNPLIRNX-UHFFFAOYSA-N 0 0 428.229 3.940 50 0 IHAARN Cc1cccc(C)c1NC(=O)C1(OC(=O)CN2C(=O)c3ccccc3C2=O)CCCCC1 ZINC000000971216 568647586 /nfs/dbraw/zinc/64/75/86/568647586.db2.gz VHXRTEZPUKYESM-UHFFFAOYSA-N 0 0 434.492 3.784 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000025214984 568647715 /nfs/dbraw/zinc/64/77/15/568647715.db2.gz DSCPDUKINFKRRC-UHFFFAOYSA-N 0 0 428.552 3.649 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000025215161 568648060 /nfs/dbraw/zinc/64/80/60/568648060.db2.gz LKZZHXFELSDHQA-UHFFFAOYSA-N 0 0 446.906 3.604 50 0 IHAARN COc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(C(=O)N(C)C)cc1OC ZINC000025222788 568648550 /nfs/dbraw/zinc/64/85/50/568648550.db2.gz SLVKUSKFFNLWQO-UHFFFAOYSA-N 0 0 427.284 3.730 50 0 IHAARN COC(=O)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000000985029 568649045 /nfs/dbraw/zinc/64/90/45/568649045.db2.gz ANYBVYBVVQMLRQ-UHFFFAOYSA-N 0 0 430.551 3.954 50 0 IHAARN CC(C)[C@H](NC(=O)CN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)c1ccccc1 ZINC000025272860 568650697 /nfs/dbraw/zinc/65/06/97/568650697.db2.gz IOGDKJJIUCTLNR-QFIPXVFZSA-N 0 0 445.510 3.559 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccoc3)sc2=N1 ZINC000001012043 568651854 /nfs/dbraw/zinc/65/18/54/568651854.db2.gz BBBDYXPIASBCAD-JKALPCAWSA-N 0 0 447.541 3.528 50 0 IHAARN CCOC(=O)[C@@H](Cc1ccc(NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001023073 568653141 /nfs/dbraw/zinc/65/31/41/568653141.db2.gz LWSVVIKOILUTLM-JOCHJYFZSA-N 0 0 442.471 3.709 50 0 IHAARN Cc1cc2ncc(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)c(C)n2n1 ZINC000025387299 568655873 /nfs/dbraw/zinc/65/58/73/568655873.db2.gz DGECPBXBPJZQDS-UHFFFAOYSA-N 0 0 429.855 3.935 50 0 IHAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)c1C ZINC000001100664 568657946 /nfs/dbraw/zinc/65/79/46/568657946.db2.gz ZVRXCYPAYBYYEL-MRXNPFEDSA-N 0 0 428.554 3.780 50 0 IHAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)C[C@@H](OC(C)=O)[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 ZINC000257348435 568731115 /nfs/dbraw/zinc/73/11/15/568731115.db2.gz FNUFMOJRTSZHES-KYBLTUFESA-N 0 0 432.557 3.887 50 0 IHAARN O=C(NC1CCCC1)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001785836 568740027 /nfs/dbraw/zinc/74/00/27/568740027.db2.gz XYXHIJSSOZXNPH-UHFFFAOYSA-N 0 0 437.927 3.833 50 0 IHAARN COC(=O)c1oc(CN(c2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000031608077 568740854 /nfs/dbraw/zinc/74/08/54/568740854.db2.gz WWRFCBWUGZGOKP-UHFFFAOYSA-N 0 0 433.457 3.918 50 0 IHAARN Cc1c(NC(=O)CCNC(=O)C2CCCC2)cccc1C(=O)N1CCc2sccc2C1 ZINC000031605719 568740938 /nfs/dbraw/zinc/74/09/38/568740938.db2.gz ZEQCLVYDGIRQDY-UHFFFAOYSA-N 0 0 439.581 3.890 50 0 IHAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCCCc1ccccc1 ZINC000031614008 568741227 /nfs/dbraw/zinc/74/12/27/568741227.db2.gz ZIYSYZKXZUNFTP-UHFFFAOYSA-N 0 0 430.533 3.622 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000031625299 568741229 /nfs/dbraw/zinc/74/12/29/568741229.db2.gz QLKQBDDBAWZTRB-UHFFFAOYSA-N 0 0 443.425 3.744 50 0 IHAARN CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000001911931 568742268 /nfs/dbraw/zinc/74/22/68/568742268.db2.gz PGHVHXBZWSGOAE-ZDUSSCGKSA-N 0 0 429.498 3.542 50 0 IHAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000003269484 568744674 /nfs/dbraw/zinc/74/46/74/568744674.db2.gz ZLGZJLJCWCYEFR-UHFFFAOYSA-N 0 0 425.444 3.796 50 0 IHAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Br)s1 ZINC000003322664 568746050 /nfs/dbraw/zinc/74/60/50/568746050.db2.gz ZWSOUMCHCNQXLG-CYBMUJFWSA-N 0 0 426.313 3.740 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 ZINC000044036950 568746248 /nfs/dbraw/zinc/74/62/48/568746248.db2.gz SBXBVCCGGZBYLG-UHFFFAOYSA-N 0 0 430.932 3.662 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012557855 568747012 /nfs/dbraw/zinc/74/70/12/568747012.db2.gz DFSXBBGSDXWOTP-HXUWFJFHSA-N 0 0 442.537 3.904 50 0 IHAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O ZINC000003391137 568748463 /nfs/dbraw/zinc/74/84/63/568748463.db2.gz HJUHNHTVADYOOI-INIZCTEOSA-N 0 0 427.707 3.814 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1 ZINC000003402405 568748485 /nfs/dbraw/zinc/74/84/85/568748485.db2.gz ZKYNTNDETTUQIU-UHFFFAOYSA-N 0 0 430.551 3.854 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cc(F)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000003398358 568748559 /nfs/dbraw/zinc/74/85/59/568748559.db2.gz NPTNKRCQWFQKQQ-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN O=C(c1cccc(N2CCCC2=O)c1)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000299773582 568756801 /nfs/dbraw/zinc/75/68/01/568756801.db2.gz DHXSUKYJFHAISC-UHFFFAOYSA-N 0 0 441.531 3.841 50 0 IHAARN Cc1cc(C)c(C(=O)N2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)[nH]1 ZINC000299781771 568757174 /nfs/dbraw/zinc/75/71/74/568757174.db2.gz FBCUNRBYMMPPAE-JOCHJYFZSA-N 0 0 449.595 3.738 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCC2(C[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000299801015 568758021 /nfs/dbraw/zinc/75/80/21/568758021.db2.gz WXNYUYAVKUNEMR-CJZRDCOESA-N 0 0 443.591 3.673 50 0 IHAARN COc1ccc(Cn2nnc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2N)cc1 ZINC000001238564 568774374 /nfs/dbraw/zinc/77/43/74/568774374.db2.gz IBGWKVDCTAJGLG-UHFFFAOYSA-N 0 0 429.480 3.749 50 0 IHAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)c(C)o2)cc1 ZINC000263617066 568777037 /nfs/dbraw/zinc/77/70/37/568777037.db2.gz LXJBFPWITAHNNF-UHFFFAOYSA-N 0 0 442.475 3.676 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3CO2)cc1 ZINC000263617440 568777334 /nfs/dbraw/zinc/77/73/34/568777334.db2.gz NVAPHNGAEBLPJE-GOSISDBHSA-N 0 0 432.402 3.507 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 ZINC000025768108 568779704 /nfs/dbraw/zinc/77/97/04/568779704.db2.gz ZMBAOSOFYMMNAO-MRXNPFEDSA-N 0 0 448.566 3.890 50 0 IHAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000004127337 568780889 /nfs/dbraw/zinc/78/08/89/568780889.db2.gz OXHIKTRZTJORNN-JCNKGUOZSA-N 0 0 431.495 4.000 50 0 IHAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032103739 568781088 /nfs/dbraw/zinc/78/10/88/568781088.db2.gz GHEYURZWGWGAAM-HXUWFJFHSA-N 0 0 448.445 3.928 50 0 IHAARN COc1cc(CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc(OC)c1 ZINC000032123893 568781670 /nfs/dbraw/zinc/78/16/70/568781670.db2.gz VYXHKUSVSCVOTN-UHFFFAOYSA-N 0 0 425.481 3.685 50 0 biogenic IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccco1)Cc1cccs1 ZINC000001357641 568781684 /nfs/dbraw/zinc/78/16/84/568781684.db2.gz QRBQZPLEIFOXIU-UHFFFAOYSA-N 0 0 444.578 3.971 50 0 IHAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccccc1Br ZINC000019171554 568782350 /nfs/dbraw/zinc/78/23/50/568782350.db2.gz QJCURQTXLXBLPY-BZSNNMDCSA-N 0 0 446.732 3.638 50 0 IHAARN O[C@@H](COCc1ccc2c(c1)OCO2)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000025856548 568785461 /nfs/dbraw/zinc/78/54/61/568785461.db2.gz SNGBJUPTZSHPML-INIZCTEOSA-N 0 0 443.500 3.818 50 0 IHAARN COc1ccc(C[C@H](CO)CNC(=O)CCc2cccc(OC3CCCC3)c2)cc1O ZINC000083957463 568787163 /nfs/dbraw/zinc/78/71/63/568787163.db2.gz RZZUXIDVZIINNA-FQEVSTJZSA-N 0 0 427.541 3.622 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3)/c(=N/C(=O)c3ccccc3)s2)cc1 ZINC000001409816 568787507 /nfs/dbraw/zinc/78/75/07/568787507.db2.gz KWMMFAZXHZGCMP-BZZOAKBMSA-N 0 0 430.489 3.936 50 0 IHAARN COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(Cl)cc3OC)c2c1 ZINC000001424300 568793572 /nfs/dbraw/zinc/79/35/72/568793572.db2.gz SOJJUXMOURVOBY-UHFFFAOYSA-N 0 0 438.933 3.677 50 0 IHAARN Cn1c2nc(Oc3ccccc3F)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000001424642 568793780 /nfs/dbraw/zinc/79/37/80/568793780.db2.gz SMSMNMSMKXGLMA-UHFFFAOYSA-N 0 0 449.269 3.720 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)cc1 ZINC000084160405 568795467 /nfs/dbraw/zinc/79/54/67/568795467.db2.gz VBRKOFGSHITLBK-UHFFFAOYSA-N 0 0 443.529 3.606 50 0 IHAARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2n1 ZINC000001432708 568795473 /nfs/dbraw/zinc/79/54/73/568795473.db2.gz FOZAPGWNZVGSFH-CYBMUJFWSA-N 0 0 437.521 3.766 50 0 IHAARN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000084185549 568795830 /nfs/dbraw/zinc/79/58/30/568795830.db2.gz ZPYOZDROVRERLB-JOCHJYFZSA-N 0 0 429.520 3.913 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(N2CCNC2=O)c(F)cc1F ZINC000084490396 568798125 /nfs/dbraw/zinc/79/81/25/568798125.db2.gz ZZJNIJYCWXUNBH-UHFFFAOYSA-N 0 0 444.419 3.599 50 0 IHAARN CCOC(=O)CCN(Cc1cccnc1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000084793442 568801525 /nfs/dbraw/zinc/80/15/25/568801525.db2.gz RCAUJGRZBMQVIH-UHFFFAOYSA-N 0 0 431.418 3.912 50 0 IHAARN CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3cc(Br)cn3C)n2)cc1 ZINC000084809412 568801776 /nfs/dbraw/zinc/80/17/76/568801776.db2.gz HKFKRKBSXYTMGD-UHFFFAOYSA-N 0 0 447.333 3.828 50 0 IHAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 ZINC000015670093 568802140 /nfs/dbraw/zinc/80/21/40/568802140.db2.gz SZUQLJPWAXUGLQ-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN CC1=C(C(=O)Nc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)SCCO1 ZINC000015678159 568804742 /nfs/dbraw/zinc/80/47/42/568804742.db2.gz CBVUKEGUNRPGCA-UHFFFAOYSA-N 0 0 441.528 3.722 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)[nH]n2)cc1 ZINC000015679244 568805714 /nfs/dbraw/zinc/80/57/14/568805714.db2.gz RQJMVWGFDMBZNP-UHFFFAOYSA-N 0 0 440.931 3.576 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000012809150 568813708 /nfs/dbraw/zinc/81/37/08/568813708.db2.gz HMCOQLWYEFIOIL-HNNXBMFYSA-N 0 0 446.516 3.792 50 0 IHAARN C[C@H]1CSc2ccc(S(=O)(=O)NCc3ccc(Br)cc3)cc2NC1=O ZINC000015731207 568814635 /nfs/dbraw/zinc/81/46/35/568814635.db2.gz HFGYMUMSGPCIBL-NSHDSACASA-N 0 0 441.372 3.608 50 0 IHAARN COc1ccc(OC)c(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c2nc(C)cc3C)c1 ZINC000015735957 568816831 /nfs/dbraw/zinc/81/68/31/568816831.db2.gz SKNUESDFDRNDPW-UHFFFAOYSA-N 0 0 447.539 3.789 50 0 IHAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000015736058 568817247 /nfs/dbraw/zinc/81/72/47/568817247.db2.gz PHTRBFOAARHNCN-UHFFFAOYSA-N 0 0 448.523 3.681 50 0 IHAARN Nc1nc(CSCC(=O)Nc2cccc(Br)c2)nc(Nc2ccccc2)n1 ZINC000019223570 568817267 /nfs/dbraw/zinc/81/72/67/568817267.db2.gz MQHGEOXYQYFFEM-UHFFFAOYSA-N 0 0 445.346 3.832 50 0 IHAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000085413723 568818644 /nfs/dbraw/zinc/81/86/44/568818644.db2.gz ZXSALKBICOOSPM-UNMCSNQZSA-N 0 0 440.423 3.741 50 0 IHAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 ZINC000001465262 568820157 /nfs/dbraw/zinc/82/01/57/568820157.db2.gz ZRCGNSAQZIKJCM-QFIPXVFZSA-N 0 0 439.479 3.575 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCC1CCCCC1 ZINC000006066931 568820346 /nfs/dbraw/zinc/82/03/46/568820346.db2.gz UMQFHVQSFLZEAG-WMZOPIPTSA-N 0 0 429.586 3.753 50 0 IHAARN O=C(NCc1ccccc1Br)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770167 568822296 /nfs/dbraw/zinc/82/22/96/568822296.db2.gz KNNNLNRKJUGXCI-UHFFFAOYSA-N 0 0 431.359 3.987 50 0 IHAARN CC(C)CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)c1 ZINC000015771528 568822496 /nfs/dbraw/zinc/82/24/96/568822496.db2.gz KSIUUFNKMGGKEW-UHFFFAOYSA-N 0 0 428.514 3.616 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)c2c1 ZINC000015774158 568823046 /nfs/dbraw/zinc/82/30/46/568823046.db2.gz ZROHZJUPCKNLEA-UHFFFAOYSA-N 0 0 437.521 3.692 50 0 biogenic IHAARN CCOc1cccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1 ZINC000015779511 568825030 /nfs/dbraw/zinc/82/50/30/568825030.db2.gz RZEQZJNNWSPYPZ-UHFFFAOYSA-N 0 0 429.568 3.760 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(C)cc2)c2cccs2)cc1 ZINC000015780945 568825146 /nfs/dbraw/zinc/82/51/46/568825146.db2.gz SDQMMLCGHNBEFF-OAQYLSRUSA-N 0 0 445.562 3.775 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)ccc21 ZINC000015784252 568826731 /nfs/dbraw/zinc/82/67/31/568826731.db2.gz CJEZPHICLZSUPI-GOSISDBHSA-N 0 0 439.581 3.939 50 0 IHAARN Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)ccc1F ZINC000015783954 568826792 /nfs/dbraw/zinc/82/67/92/568826792.db2.gz YFBJHUOFQQHBOZ-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000085598116 568827399 /nfs/dbraw/zinc/82/73/99/568827399.db2.gz XRQYESHAPGHFLP-UHFFFAOYSA-N 0 0 439.965 3.966 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCCC4)C3)ccc21 ZINC000015784362 568827406 /nfs/dbraw/zinc/82/74/06/568827406.db2.gz ARUWPDKDFXZJRB-IBGZPJMESA-N 0 0 431.602 3.808 50 0 IHAARN COc1cc(Nc2nc(C(=O)NC[C@@H]3CCCO3)cc3occc32)cc(OC)c1OC ZINC000085651334 568831817 /nfs/dbraw/zinc/83/18/17/568831817.db2.gz PDINIEVXZVHYAA-AWEZNQCLSA-N 0 0 427.457 3.506 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2OC)c1C ZINC000085711516 568834703 /nfs/dbraw/zinc/83/47/03/568834703.db2.gz UOFSYXHCNBGDAS-SFHVURJKSA-N 0 0 444.528 3.647 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000001508593 568835540 /nfs/dbraw/zinc/83/55/40/568835540.db2.gz CFWYQTWGLUNCOX-UHFFFAOYSA-N 0 0 432.542 3.926 50 0 IHAARN Cn1c(C(=O)NCCCc2ccccc2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787014 568836498 /nfs/dbraw/zinc/83/64/98/568836498.db2.gz INKVAVQEILBPTE-UHFFFAOYSA-N 0 0 439.581 3.716 50 0 IHAARN CCOC(=O)c1ccc(COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000100353233 568837100 /nfs/dbraw/zinc/83/71/00/568837100.db2.gz ZFDITCICVGFDRN-OYRHEFFESA-N 0 0 433.460 3.676 50 0 IHAARN COc1ccc2c(c1)c(C(=O)CN1C=Cc3cc(OC)c(OC)cc3CC1=O)c(C)n2C ZINC000085877026 568838597 /nfs/dbraw/zinc/83/85/97/568838597.db2.gz OEWDEKMRRRTKRG-UHFFFAOYSA-N 0 0 434.492 3.751 50 0 biogenic IHAARN COc1cccc(CNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000015821465 568839821 /nfs/dbraw/zinc/83/98/21/568839821.db2.gz QRZQSLICGFJIQG-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN O=C(CSc1ccc(S(=O)(=O)C2CCCCC2)nn1)Nc1ccc(Cl)cc1 ZINC000015829626 568841399 /nfs/dbraw/zinc/84/13/99/568841399.db2.gz BPTSFMGLQZIOGA-UHFFFAOYSA-N 0 0 425.963 3.967 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCCOc2ccccc2)S1 ZINC000015833006 568842531 /nfs/dbraw/zinc/84/25/31/568842531.db2.gz GHGUOSNZOAJKLL-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 ZINC000025691154 568842535 /nfs/dbraw/zinc/84/25/35/568842535.db2.gz XBCAGYLUHKWBLO-DBXWQHBBSA-N 0 0 426.513 3.576 50 0 IHAARN Cc1nc2cc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)ccc2n1-c1ccccc1 ZINC000006153554 568847526 /nfs/dbraw/zinc/84/75/26/568847526.db2.gz TUXBTYQKOGEZPV-UHFFFAOYSA-N 0 0 449.532 3.941 50 0 IHAARN CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000015861987 568848440 /nfs/dbraw/zinc/84/84/40/568848440.db2.gz WKNNOBYIOGJQGO-UHFFFAOYSA-N 0 0 426.317 3.683 50 0 IHAARN C[C@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000026112681 568849751 /nfs/dbraw/zinc/84/97/51/568849751.db2.gz PRPYTHOOOFZHGA-LNRIEFBSSA-N 0 0 448.610 3.658 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc(OC)c1OC ZINC000015867943 568851457 /nfs/dbraw/zinc/85/14/57/568851457.db2.gz CATIPFJQRPKDOI-CYBMUJFWSA-N 0 0 436.493 3.982 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)c1 ZINC000015881024 568854499 /nfs/dbraw/zinc/85/44/99/568854499.db2.gz LQCAWTHUNDQRON-UHFFFAOYSA-N 0 0 445.928 3.925 50 0 IHAARN COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(Br)cc1F ZINC000015881298 568855040 /nfs/dbraw/zinc/85/50/40/568855040.db2.gz HOBQQAYSFZHNSD-UHFFFAOYSA-N 0 0 432.249 3.703 50 0 IHAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000015881303 568855188 /nfs/dbraw/zinc/85/51/88/568855188.db2.gz BGBXORFXUVINCP-UHFFFAOYSA-N 0 0 429.451 3.900 50 0 IHAARN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000015882592 568857115 /nfs/dbraw/zinc/85/71/15/568857115.db2.gz AAXSZEGPMGHIOX-QHCPKHFHSA-N 0 0 428.536 3.553 50 0 IHAARN CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 ZINC000015882712 568857224 /nfs/dbraw/zinc/85/72/24/568857224.db2.gz FRGFXCAUWQHPMD-UHFFFAOYSA-N 0 0 444.380 3.951 50 0 IHAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(Br)cc3)nn2)cc1 ZINC000015884244 568858058 /nfs/dbraw/zinc/85/80/58/568858058.db2.gz ACDDNBPESUHZQL-UHFFFAOYSA-N 0 0 448.342 3.572 50 0 IHAARN COc1ccc(-c2ccc(OCCNC(=O)Cc3ccc(Br)cc3)nn2)cc1 ZINC000015884412 568858118 /nfs/dbraw/zinc/85/81/18/568858118.db2.gz GKYGWUODBZSFIS-UHFFFAOYSA-N 0 0 442.313 3.652 50 0 IHAARN COc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015898245 568858242 /nfs/dbraw/zinc/85/82/42/568858242.db2.gz IHCRRVJYEBFHFL-UHFFFAOYSA-N 0 0 448.516 3.611 50 0 IHAARN CN1c2ccccc2N(C2CCN(Cc3ccc(Br)cc3)CC2)S1(=O)=O ZINC000575414197 568861015 /nfs/dbraw/zinc/86/10/15/568861015.db2.gz NWWLHJNHYXSBKR-UHFFFAOYSA-N 0 0 436.375 3.615 50 0 IHAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)s1 ZINC000016047736 568869216 /nfs/dbraw/zinc/86/92/16/568869216.db2.gz BSTPNZBKJBXDLZ-UHFFFAOYSA-N 0 0 437.886 3.615 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000016047976 568869400 /nfs/dbraw/zinc/86/94/00/568869400.db2.gz NNGJRKLASFAMKG-UHFFFAOYSA-N 0 0 439.530 3.745 50 0 IHAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012940810 568869729 /nfs/dbraw/zinc/86/97/29/568869729.db2.gz VKXJISJMEQXYTL-CHWSQXEVSA-N 0 0 439.400 3.765 50 0 IHAARN COCc1c(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)sc2cccc(F)c21 ZINC000012941826 568870143 /nfs/dbraw/zinc/87/01/43/568870143.db2.gz IDPFZDIVEBYXTQ-UHFFFAOYSA-N 0 0 434.420 3.831 50 0 IHAARN C[C@@]1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1(Cl)Cl ZINC000012945710 568870936 /nfs/dbraw/zinc/87/09/36/568870936.db2.gz UKGJVWKAVRBXDD-KRWDZBQOSA-N 0 0 429.735 3.618 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1 ZINC000012945377 568870996 /nfs/dbraw/zinc/87/09/96/568870996.db2.gz SISDWFGHVGCORR-UHFFFAOYSA-N 0 0 440.525 3.942 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012949289 568871869 /nfs/dbraw/zinc/87/18/69/568871869.db2.gz DGFCRQOZDSZYJS-LJQANCHMSA-N 0 0 446.960 3.739 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000016227193 568873470 /nfs/dbraw/zinc/87/34/70/568873470.db2.gz ZROJTIFPBWVXCX-RUZDIDTESA-N 0 0 435.451 3.850 50 0 IHAARN CCOc1ccc(NC(=O)/C=C/c2cccc(OC)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009125241 568878584 /nfs/dbraw/zinc/87/85/84/568878584.db2.gz DDWVAHLYLJUFEC-JLHYYAGUSA-N 0 0 444.553 3.920 50 0 IHAARN Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575617388 568881932 /nfs/dbraw/zinc/88/19/32/568881932.db2.gz OTTKRPIAXVUNOK-IBGZPJMESA-N 0 0 449.985 3.804 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC(C)C)c(O)c2c1 ZINC000006296475 568882368 /nfs/dbraw/zinc/88/23/68/568882368.db2.gz FHAJWMFCYJOCJH-UHFFFAOYSA-N 0 0 441.553 3.519 50 0 IHAARN Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Cl)cnc32)cc1 ZINC000095830774 568884449 /nfs/dbraw/zinc/88/44/49/568884449.db2.gz NJVXZTXQZUABTK-UHFFFAOYSA-N 0 0 432.670 3.840 50 0 IHAARN CC(C)c1nccn1CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000090560547 568887823 /nfs/dbraw/zinc/88/78/23/568887823.db2.gz OUPAVCSTTPKPMR-UHFFFAOYSA-N 0 0 432.409 3.931 50 0 IHAARN Cc1nc(-c2cccs2)sc1CNC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 ZINC000090592773 568888744 /nfs/dbraw/zinc/88/87/44/568888744.db2.gz VNUCILQILAQOND-CYBMUJFWSA-N 0 0 432.596 3.707 50 0 IHAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 ZINC000090592963 568889004 /nfs/dbraw/zinc/88/90/04/568889004.db2.gz YQDDFQWZLDICQY-CQSZACIVSA-N 0 0 444.557 3.784 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccccn3)nc(C)n2)CC1 ZINC000090608008 568890521 /nfs/dbraw/zinc/89/05/21/568890521.db2.gz UQRREMLAKKUOAE-UHFFFAOYSA-N 0 0 433.516 3.676 50 0 IHAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(Br)cc1F ZINC000090610208 568892012 /nfs/dbraw/zinc/89/20/12/568892012.db2.gz GAZUGXBMHFBGCW-UHFFFAOYSA-N 0 0 446.251 3.744 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)C2)s1 ZINC000012982278 568894682 /nfs/dbraw/zinc/89/46/82/568894682.db2.gz JSRYQVQCNDXVJJ-GOEBONIOSA-N 0 0 426.991 3.988 50 0 IHAARN O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012996225 568896859 /nfs/dbraw/zinc/89/68/59/568896859.db2.gz NAIMHSYRBFSINL-UHFFFAOYSA-N 0 0 432.851 3.964 50 0 IHAARN CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000012998275 568897141 /nfs/dbraw/zinc/89/71/41/568897141.db2.gz XBIXGNCJAURVPN-UHFFFAOYSA-N 0 0 431.521 3.708 50 0 IHAARN COc1cc(CN(C)C(=O)c2cnc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000012998953 568897981 /nfs/dbraw/zinc/89/79/81/568897981.db2.gz ANAAXUILQJEKSJ-UHFFFAOYSA-N 0 0 429.476 3.554 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N(CCc3cccs3)Cc3ccoc3)cc3c2N1CC3 ZINC000090748781 568898305 /nfs/dbraw/zinc/89/83/05/568898305.db2.gz KBPPGEMACFSEPE-UHFFFAOYSA-N 0 0 442.562 3.610 50 0 IHAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(Cl)c1 ZINC000013002602 568898313 /nfs/dbraw/zinc/89/83/13/568898313.db2.gz QCMARTFMRMNDNC-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN COC(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2OC)c1 ZINC000013001712 568898345 /nfs/dbraw/zinc/89/83/45/568898345.db2.gz QOLWQQRGFUZNJG-UHFFFAOYSA-N 0 0 431.535 3.934 50 0 IHAARN O=C(COc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013021847 568902346 /nfs/dbraw/zinc/90/23/46/568902346.db2.gz SCQBVLTYEWKYOE-UHFFFAOYSA-N 0 0 428.432 3.507 50 0 IHAARN CCOc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)c2c1 ZINC000089269809 568910096 /nfs/dbraw/zinc/91/00/96/568910096.db2.gz VZZKTUBQEOUQOE-UHFFFAOYSA-N 0 0 442.537 3.595 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000241515672 568912401 /nfs/dbraw/zinc/91/24/01/568912401.db2.gz OGXMJWWABSUXIK-BNOWGMLFSA-N 0 0 445.199 3.707 50 0 IHAARN CC1(C)[C@H](C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)[C@H]1C=C(Cl)Cl ZINC000245228796 568913057 /nfs/dbraw/zinc/91/30/57/568913057.db2.gz FSGDLKDCMCTAEZ-UXLLHSPISA-N 0 0 434.360 3.933 50 0 IHAARN CC(C)(C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254633 568913459 /nfs/dbraw/zinc/91/34/59/568913459.db2.gz BMQUXFUCWHHGEN-IVAOSVALSA-N 0 0 449.938 3.962 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000245255680 568913780 /nfs/dbraw/zinc/91/37/80/568913780.db2.gz KRUHDNOAMHXOCF-QAQDUYKDSA-N 0 0 441.553 3.900 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000245257068 568914201 /nfs/dbraw/zinc/91/42/01/568914201.db2.gz WENNGVHBAPYLTQ-WGSAOQKQSA-N 0 0 431.577 3.675 50 0 IHAARN O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000247846241 568918915 /nfs/dbraw/zinc/91/89/15/568918915.db2.gz DKWSYHLLRYQTAA-UGCAPWQASA-N 0 0 443.890 3.638 50 0 IHAARN COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccccc1OC ZINC000089334938 568920601 /nfs/dbraw/zinc/92/06/01/568920601.db2.gz QMCZCNXGXWOQOK-SZPZYZBQSA-N 0 0 438.568 3.717 50 0 IHAARN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555904 568921497 /nfs/dbraw/zinc/92/14/97/568921497.db2.gz IBZPQKTYRVVQTA-UHFFFAOYSA-N 0 0 425.703 3.954 50 0 IHAARN Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C(C)C)c3)cc2)no1 ZINC000001916548 568922501 /nfs/dbraw/zinc/92/25/01/568922501.db2.gz LYRPRLAWXZINCE-UHFFFAOYSA-N 0 0 429.498 3.925 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917033 568922704 /nfs/dbraw/zinc/92/27/04/568922704.db2.gz MVGHAZNESHKZEK-LJQANCHMSA-N 0 0 442.899 3.841 50 0 IHAARN COc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@@H]1O ZINC000089420773 568924298 /nfs/dbraw/zinc/92/42/98/568924298.db2.gz PPHHIPAERXJIBA-HZMBPMFUSA-N 0 0 437.705 3.624 50 0 IHAARN C[C@H]1S[C@]2(c3ccccc3NC2=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O ZINC000016608214 568925446 /nfs/dbraw/zinc/92/54/46/568925446.db2.gz GVQWJQUIHKMDJM-CPJLOUKISA-N 0 0 443.528 3.890 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000035808704 568926393 /nfs/dbraw/zinc/92/63/93/568926393.db2.gz KGDBUUKQJOLCJU-GJYADEQXSA-N 0 0 441.915 3.628 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016645027 568927770 /nfs/dbraw/zinc/92/77/70/568927770.db2.gz FEBWGSUPGBHBLL-QHCPKHFHSA-N 0 0 438.524 3.566 50 0 IHAARN Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NCCC(C)C)c1=O ZINC000064438440 568928249 /nfs/dbraw/zinc/92/82/49/568928249.db2.gz CVZZMEDEDKFUTL-UHFFFAOYSA-N 0 0 435.568 3.853 50 0 IHAARN Cc1c(-c2nc(-c3cccc(Cl)c3)no2)sc2ncn(CC(=O)NC(C)C)c(=O)c12 ZINC000064439291 568928264 /nfs/dbraw/zinc/92/82/64/568928264.db2.gz VTGISBQLLIYJPR-UHFFFAOYSA-N 0 0 443.916 3.661 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c1 ZINC000064566708 568933619 /nfs/dbraw/zinc/93/36/19/568933619.db2.gz MUEWTWLTCFQBDW-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)c1 ZINC000064593777 568935983 /nfs/dbraw/zinc/93/59/83/568935983.db2.gz HZCRCPLMXYKHPS-UHFFFAOYSA-N 0 0 440.912 3.826 50 0 IHAARN COc1cccc(-n2ccn3c(SCC(=O)c4cccc(Cl)c4)nnc3c2=O)c1 ZINC000064593634 568936029 /nfs/dbraw/zinc/93/60/29/568936029.db2.gz FHFIYFLBHQCNJD-UHFFFAOYSA-N 0 0 426.885 3.517 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)c(OC)c1 ZINC000089544826 568937010 /nfs/dbraw/zinc/93/70/10/568937010.db2.gz UCWZLBUGXZPSKF-GMAHTHKFSA-N 0 0 443.544 3.729 50 0 IHAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1OC(C)=O ZINC000089575690 568937922 /nfs/dbraw/zinc/93/79/22/568937922.db2.gz MREPWDAIJOWMFJ-UHFFFAOYSA-N 0 0 427.375 3.641 50 0 IHAARN Cc1cn2c(ncc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2=O)s1 ZINC000016689643 568938072 /nfs/dbraw/zinc/93/80/72/568938072.db2.gz XFBCZGTVFKKSLS-UHFFFAOYSA-N 0 0 444.560 3.612 50 0 IHAARN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2nc3n(c2n1)CCCCC3 ZINC000089582791 568938276 /nfs/dbraw/zinc/93/82/76/568938276.db2.gz FXPDAMDGPZYQGH-SFHVURJKSA-N 0 0 437.931 3.655 50 0 IHAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1C(=O)N2 ZINC000064604752 568938902 /nfs/dbraw/zinc/93/89/02/568938902.db2.gz HBIVHPZUVAMSSU-STQMWFEESA-N 0 0 436.917 3.804 50 0 IHAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn([C@@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000064605266 568939590 /nfs/dbraw/zinc/93/95/90/568939590.db2.gz HLOUNXXRZKIBKR-KRWDZBQOSA-N 0 0 430.508 3.655 50 0 IHAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002066622 568941636 /nfs/dbraw/zinc/94/16/36/568941636.db2.gz MIYKHGSNLLNIDE-UHFFFAOYSA-N 0 0 430.551 3.954 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665422 568942726 /nfs/dbraw/zinc/94/27/26/568942726.db2.gz BRBVFTMMRRCUSN-UHFFFAOYSA-N 0 0 440.906 3.694 50 0 IHAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)NC(C)C)c1 ZINC000036043230 568944090 /nfs/dbraw/zinc/94/40/90/568944090.db2.gz CKELRMKFWHBQBS-BXKMTCNYSA-N 0 0 441.572 3.908 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000036083550 568947244 /nfs/dbraw/zinc/94/72/44/568947244.db2.gz MLOPDABWMNKKAF-FQEVSTJZSA-N 0 0 428.510 3.933 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036083502 568947251 /nfs/dbraw/zinc/94/72/51/568947251.db2.gz MVZRNLGIXFFHQW-FQEVSTJZSA-N 0 0 430.888 3.941 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036083715 568947448 /nfs/dbraw/zinc/94/74/48/568947448.db2.gz GPGDEYZBYHGIBJ-HXUWFJFHSA-N 0 0 430.888 3.941 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000036083702 568947456 /nfs/dbraw/zinc/94/74/56/568947456.db2.gz ZUVMKSCKOIXGBF-QFIPXVFZSA-N 0 0 440.496 3.605 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083902 568947622 /nfs/dbraw/zinc/94/76/22/568947622.db2.gz QMHZAJFJKJDDII-FQEVSTJZSA-N 0 0 432.423 3.566 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036083808 568947647 /nfs/dbraw/zinc/94/76/47/568947647.db2.gz BIYQEFCWAVXONK-NRFANRHFSA-N 0 0 440.496 3.605 50 0 IHAARN COc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036095737 568951396 /nfs/dbraw/zinc/95/13/96/568951396.db2.gz FGZQQOUKCZDBEZ-LJQANCHMSA-N 0 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ZINC000064789657 568957309 /nfs/dbraw/zinc/95/73/09/568957309.db2.gz SAFLBIYPCIRQCL-UHFFFAOYSA-N 0 0 439.537 3.541 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)COC ZINC000036120429 568957490 /nfs/dbraw/zinc/95/74/90/568957490.db2.gz LSIBWRLBGAJISL-APWZRJJASA-N 0 0 448.560 3.666 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120764 568957536 /nfs/dbraw/zinc/95/75/36/568957536.db2.gz CUUXQHKEGAIXBW-HXUWFJFHSA-N 0 0 448.560 3.523 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1 ZINC000036122685 568958369 /nfs/dbraw/zinc/95/83/69/568958369.db2.gz AESKQALHVVXHNH-HXUWFJFHSA-N 0 0 427.570 3.837 50 0 IHAARN Cc1ccc(CNC(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000064792390 568959233 /nfs/dbraw/zinc/95/92/33/568959233.db2.gz YURFWEVYCRYMKY-UHFFFAOYSA-N 0 0 449.942 3.614 50 0 IHAARN Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)NC3CCCCC3)c3nnnn32)cc1 ZINC000064793185 568959623 /nfs/dbraw/zinc/95/96/23/568959623.db2.gz YNNCELSGTYIHKC-QHCPKHFHSA-N 0 0 428.540 3.881 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NC1CCCC1 ZINC000064793707 568959764 /nfs/dbraw/zinc/95/97/64/568959764.db2.gz RDYOCODMUIUIED-OAQYLSRUSA-N 0 0 434.931 3.836 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc(OC)c1O ZINC000064798015 568960387 /nfs/dbraw/zinc/96/03/87/568960387.db2.gz ZLNYYHXRHWUZNT-AWEZNQCLSA-N 0 0 445.518 3.778 50 0 IHAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064798149 568960393 /nfs/dbraw/zinc/96/03/93/568960393.db2.gz XNZJQVSNKHJMSK-INIZCTEOSA-N 0 0 427.503 3.842 50 0 IHAARN O[C@H](COCc1ccco1)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147125 568962545 /nfs/dbraw/zinc/96/25/45/568962545.db2.gz DWKUTFMTUVEFPC-JTHBVZDNSA-N 0 0 438.499 3.992 50 0 IHAARN CCOc1ccccc1CNC(=O)Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3 ZINC000064814342 568963934 /nfs/dbraw/zinc/96/39/34/568963934.db2.gz IQIHEOMEGLKHKU-UHFFFAOYSA-N 0 0 435.402 3.541 50 0 IHAARN CC[C@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccccc1Cl ZINC000064817321 568964528 /nfs/dbraw/zinc/96/45/28/568964528.db2.gz WEXSOVWTSNKACQ-ZDUSSCGKSA-N 0 0 447.992 3.630 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(Cc3cccs3)c(=O)c21 ZINC000064817548 568964752 /nfs/dbraw/zinc/96/47/52/568964752.db2.gz MLBMQBWOVHBNSI-UHFFFAOYSA-N 0 0 439.566 3.762 50 0 IHAARN CC(C)(C)OC[C@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156620 568965450 /nfs/dbraw/zinc/96/54/50/568965450.db2.gz MDBHUZYSHQHXOX-OAHLLOKOSA-N 0 0 445.585 3.635 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4ccncc4)cc3nc2N2CCCC2)c1 ZINC000064819456 568966173 /nfs/dbraw/zinc/96/61/73/568966173.db2.gz ZKPNZYZGWNOLOJ-UHFFFAOYSA-N 0 0 439.519 3.619 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036157550 568966216 /nfs/dbraw/zinc/96/62/16/568966216.db2.gz WMNHIANUUVMZMK-HSZRJFAPSA-N 0 0 435.568 3.514 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCCCOC(C)C)cc3nc2N2CCCC2)c1 ZINC000064819446 568966222 /nfs/dbraw/zinc/96/62/22/568966222.db2.gz IPKOUYQAJHQRKR-UHFFFAOYSA-N 0 0 448.567 3.839 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNc3ccc(OCC)cc3)cc21 ZINC000006732832 568968733 /nfs/dbraw/zinc/96/87/33/568968733.db2.gz IIGOYALHOSWJOX-SFHVURJKSA-N 0 0 426.513 3.914 50 0 IHAARN Cc1nnc2ccc(-c3cccc(S(=O)(=O)Nc4ccc(Br)cc4)c3)nn12 ZINC000064835853 568968862 /nfs/dbraw/zinc/96/88/62/568968862.db2.gz MTGUIOMEYIDDIR-UHFFFAOYSA-N 0 0 444.314 3.663 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000064835793 568968939 /nfs/dbraw/zinc/96/89/39/568968939.db2.gz NJUMWBHSSVCQOV-UHFFFAOYSA-N 0 0 437.974 3.871 50 0 IHAARN CCOC(=O)CC1(NC(=O)N(C)CCc2noc(-c3ccc(C)cc3)n2)CCCCC1 ZINC000064839912 568969732 /nfs/dbraw/zinc/96/97/32/568969732.db2.gz ALOPHHVAEFMNIT-UHFFFAOYSA-N 0 0 428.533 3.885 50 0 IHAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cc(OC)ccc3OC)no2)cc1 ZINC000064840468 568969944 /nfs/dbraw/zinc/96/99/44/568969944.db2.gz UUZLQMOZDRRFDS-UHFFFAOYSA-N 0 0 440.500 3.935 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000036185547 568970281 /nfs/dbraw/zinc/97/02/81/568970281.db2.gz RAPDRSFTPPLFFT-FQEVSTJZSA-N 0 0 435.902 3.721 50 0 IHAARN CCCc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3C)n2)cc1 ZINC000064841692 568970447 /nfs/dbraw/zinc/97/04/47/568970447.db2.gz ZDOGKSURPXOASW-UHFFFAOYSA-N 0 0 429.542 3.773 50 0 IHAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cccc(Cl)c2C)no1 ZINC000064841764 568970456 /nfs/dbraw/zinc/97/04/56/568970456.db2.gz UVTSRIYGTRPQBF-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccccc3)n2)cc1 ZINC000064841583 568970473 /nfs/dbraw/zinc/97/04/73/568970473.db2.gz WOFMDZZKHKYWLW-UHFFFAOYSA-N 0 0 429.542 3.710 50 0 IHAARN COc1ccc(-c2nn([C@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842693 568971051 /nfs/dbraw/zinc/97/10/51/568971051.db2.gz JXRDPQJZNOOKHI-OAHLLOKOSA-N 0 0 432.480 3.901 50 0 IHAARN C[C@@H]1CCCCN1C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209126 568973574 /nfs/dbraw/zinc/97/35/74/568973574.db2.gz XOIMUCBQFOWVDQ-DYESRHJHSA-N 0 0 445.629 3.676 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1F ZINC000064866784 568974845 /nfs/dbraw/zinc/97/48/45/568974845.db2.gz JPQCRUTVEOSTPH-UHFFFAOYSA-N 0 0 432.473 3.909 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036210657 568974981 /nfs/dbraw/zinc/97/49/81/568974981.db2.gz FOPLOXVNMHBFQS-AVRDEDQJSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036212158 568975975 /nfs/dbraw/zinc/97/59/75/568975975.db2.gz QCKNGINHWKVYRP-XXBNENTESA-N 0 0 429.605 3.539 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)N3CCCCC3)CC2)c1 ZINC000036212401 568976134 /nfs/dbraw/zinc/97/61/34/568976134.db2.gz YXRHMRJYJAFFHT-XMMPIXPASA-N 0 0 447.579 3.658 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000036212592 568976576 /nfs/dbraw/zinc/97/65/76/568976576.db2.gz KZCNDLCWNMOJIQ-NLFFAJNJSA-N 0 0 449.595 3.571 50 0 IHAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212725 568976680 /nfs/dbraw/zinc/97/66/80/568976680.db2.gz DYIPQHHYCHBMJK-LAUBAEHRSA-N 0 0 441.597 3.560 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036213117 568976810 /nfs/dbraw/zinc/97/68/10/568976810.db2.gz RQLKSRLNBGICKS-WMZHIEFXSA-N 0 0 435.568 3.561 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000064872142 568977938 /nfs/dbraw/zinc/97/79/38/568977938.db2.gz CQYLRQHQVBLVNA-UHFFFAOYSA-N 0 0 446.506 3.563 50 0 IHAARN O=C(NCc1ccco1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000064873134 568978284 /nfs/dbraw/zinc/97/82/84/568978284.db2.gz GMYFPTUQCRFPBR-UHFFFAOYSA-N 0 0 435.867 3.988 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1c2ccccc2nc1-c1ccncc1 ZINC000064888117 568979290 /nfs/dbraw/zinc/97/92/90/568979290.db2.gz OFPBLEXPYDDZCO-UHFFFAOYSA-N 0 0 442.928 3.739 50 0 IHAARN COc1cc(Cl)ccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3CC(C)C)no1 ZINC000064890947 568980949 /nfs/dbraw/zinc/98/09/49/568980949.db2.gz UIFHCYUBYARPDX-UHFFFAOYSA-N 0 0 426.860 3.725 50 0 IHAARN Cc1nc2cc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890481 568981329 /nfs/dbraw/zinc/98/13/29/568981329.db2.gz QXHDEBRIWPQVPF-CYBMUJFWSA-N 0 0 433.468 3.954 50 0 IHAARN O=C(Cc1ccccc1)N1CCN([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250574 568983722 /nfs/dbraw/zinc/98/37/22/568983722.db2.gz WPALUHNFURAVRY-MHZLTWQESA-N 0 0 445.607 3.517 50 0 IHAARN CC(C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036251443 568984630 /nfs/dbraw/zinc/98/46/30/568984630.db2.gz JAGYHWIDNABBSB-HXUWFJFHSA-N 0 0 439.522 3.794 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCc3ccccc3F)C3CCCC3)CC2)cc1 ZINC000036255454 568985056 /nfs/dbraw/zinc/98/50/56/568985056.db2.gz MMTMAPLMNYIALS-XMMPIXPASA-N 0 0 437.559 3.767 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064922876 568986104 /nfs/dbraw/zinc/98/61/04/568986104.db2.gz YLWJCNREUZGYRL-UHFFFAOYSA-N 0 0 439.965 3.668 50 0 IHAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3cc(N4CCCC4)ncn3)c2C)c1 ZINC000064924520 568986223 /nfs/dbraw/zinc/98/62/23/568986223.db2.gz BBNVUTJEPGELDH-UHFFFAOYSA-N 0 0 432.528 3.653 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927641 568986760 /nfs/dbraw/zinc/98/67/60/568986760.db2.gz ZTUBKDWYXTTYBO-HSZRJFAPSA-N 0 0 446.526 3.782 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927454 568987078 /nfs/dbraw/zinc/98/70/78/568987078.db2.gz CZFXEKZWDSXRSA-QHCPKHFHSA-N 0 0 446.526 3.782 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000064928108 568987419 /nfs/dbraw/zinc/98/74/19/568987419.db2.gz WEHWUBIMNVGZHX-UHFFFAOYSA-N 0 0 432.561 3.885 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928499 568987570 /nfs/dbraw/zinc/98/75/70/568987570.db2.gz IHCZRAYUTIBHST-QGZVFWFLSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928380 568987596 /nfs/dbraw/zinc/98/75/96/568987596.db2.gz UKTQZENIWPTTFT-HNNXBMFYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928792 568987808 /nfs/dbraw/zinc/98/78/08/568987808.db2.gz CSFPKWRCKHKNMS-HNNXBMFYSA-N 0 0 426.879 3.880 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064929228 568988084 /nfs/dbraw/zinc/98/80/84/568988084.db2.gz MNGUMKQMZVMXFW-UHFFFAOYSA-N 0 0 440.544 3.917 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000064930150 568988431 /nfs/dbraw/zinc/98/84/31/568988431.db2.gz BOCONZRRWJOOTB-GOSISDBHSA-N 0 0 438.509 3.785 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccccc2F)s1 ZINC000064941737 568991246 /nfs/dbraw/zinc/99/12/46/568991246.db2.gz MAJSTWUTAOUYRO-INIZCTEOSA-N 0 0 446.529 3.764 50 0 IHAARN COc1ccc(Cn2c3cc(C(=O)NCc4ccccc4)ccc3n3nccc3c2=O)cc1 ZINC000169681123 568991513 /nfs/dbraw/zinc/99/15/13/568991513.db2.gz AHPYDDWKGGEWPC-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN O=C(NCc1ccccc1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681153 568991670 /nfs/dbraw/zinc/99/16/70/568991670.db2.gz XBYZPSFCELGSJU-UHFFFAOYSA-N 0 0 426.451 3.767 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1ccc(Cl)cc1F ZINC000064945803 568993070 /nfs/dbraw/zinc/99/30/70/568993070.db2.gz OCMPLHAMMMOEOT-UHFFFAOYSA-N 0 0 445.907 3.806 50 0 IHAARN CCOc1ccccc1Cn1c2nn(Cc3cccc(C)c3)c(=O)n2c2ccsc2c1=O ZINC000064946590 568993699 /nfs/dbraw/zinc/99/36/99/568993699.db2.gz QBESFRSTXYDYPI-UHFFFAOYSA-N 0 0 446.532 3.676 50 0 IHAARN C=Cc1ccc(Cn2nc3n(c4ccsc4c(=O)n3CCc3ccccc3)c2=O)cc1 ZINC000064946344 568994329 /nfs/dbraw/zinc/99/43/29/568994329.db2.gz UPMORANWHFDJMJ-UHFFFAOYSA-N 0 0 428.517 3.806 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000064946984 568995015 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ZINC000065075963 569099233 /nfs/dbraw/zinc/09/92/33/569099233.db2.gz GPACUAMUNOMEFV-UHFFFAOYSA-N 0 0 432.484 3.560 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cs2)cc1 ZINC000036397391 569100016 /nfs/dbraw/zinc/10/00/16/569100016.db2.gz YFWBZAUSWWNRGC-UHFFFAOYSA-N 0 0 427.551 3.690 50 0 IHAARN CCc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077306 569100193 /nfs/dbraw/zinc/10/01/93/569100193.db2.gz HPMBUPHHQDDCGA-CQSZACIVSA-N 0 0 432.567 3.874 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077473 569100349 /nfs/dbraw/zinc/10/03/49/569100349.db2.gz NPEDTKDKKWEFBL-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc2S1 ZINC000065077752 569100613 /nfs/dbraw/zinc/10/06/13/569100613.db2.gz LVUWOJKQDIJWIN-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(C)c1 ZINC000065077878 569100734 /nfs/dbraw/zinc/10/07/34/569100734.db2.gz HATZBPPDRJZROR-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN O=C(c1ncoc1-c1ccccc1C(=O)N1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000065079777 569101065 /nfs/dbraw/zinc/10/10/65/569101065.db2.gz PUOMNGGLHCNWCP-UHFFFAOYSA-N 0 0 430.508 3.540 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000036397609 569101115 /nfs/dbraw/zinc/10/11/15/569101115.db2.gz GABSAXGMYKTVCN-QGZVFWFLSA-N 0 0 426.822 3.950 50 0 IHAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(Br)cc1F)CCCCC3 ZINC000169778344 569102628 /nfs/dbraw/zinc/10/26/28/569102628.db2.gz DFBPAGZYPPJPHE-UHFFFAOYSA-N 0 0 447.308 3.773 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCN(Cc2ccccc2)CC1 ZINC000065085031 569102768 /nfs/dbraw/zinc/10/27/68/569102768.db2.gz IHSBFPGCRVQCLC-UHFFFAOYSA-N 0 0 426.563 3.539 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1N(C)C ZINC000006899790 569103371 /nfs/dbraw/zinc/10/33/71/569103371.db2.gz FMAURPVSWQVKRV-MRXNPFEDSA-N 0 0 427.570 3.940 50 0 IHAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000065097635 569104021 /nfs/dbraw/zinc/10/40/21/569104021.db2.gz QUYYWPHTMMWFNZ-UHFFFAOYSA-N 0 0 446.554 3.760 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)N4CCc5ccccc5C4)n3C)n2)cc1 ZINC000065099969 569104821 /nfs/dbraw/zinc/10/48/21/569104821.db2.gz NUDSRRRWYHOIIK-UHFFFAOYSA-N 0 0 446.536 3.518 50 0 IHAARN CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000065099268 569105037 /nfs/dbraw/zinc/10/50/37/569105037.db2.gz RROUFVMSFFDFLG-UHFFFAOYSA-N 0 0 436.541 3.675 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cn(C)nc2-c2ccccc2)n1C ZINC000065099589 569105307 /nfs/dbraw/zinc/10/53/07/569105307.db2.gz CFRFJMZPWIHOEX-UHFFFAOYSA-N 0 0 448.552 3.930 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099722 569105318 /nfs/dbraw/zinc/10/53/18/569105318.db2.gz KXMHYNYNUNGNPV-UHFFFAOYSA-N 0 0 426.546 3.864 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NC3CCCCCC3)c2)CC1 ZINC000006901466 569105675 /nfs/dbraw/zinc/10/56/75/569105675.db2.gz HPHNFHVPZPUBMO-UHFFFAOYSA-N 0 0 431.602 3.901 50 0 IHAARN C[C@@H](NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000006901437 569105678 /nfs/dbraw/zinc/10/56/78/569105678.db2.gz ZNAIIZDDCVSWCH-GOSISDBHSA-N 0 0 425.554 3.693 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2ccccc2OC)c1 ZINC000065116345 569107280 /nfs/dbraw/zinc/10/72/80/569107280.db2.gz LWZWMZHBOIMLGD-UHFFFAOYSA-N 0 0 443.525 3.658 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000065116333 569107392 /nfs/dbraw/zinc/10/73/92/569107392.db2.gz FMZOOXKETODEIC-UHFFFAOYSA-N 0 0 427.526 3.692 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000065111988 569107886 /nfs/dbraw/zinc/10/78/86/569107886.db2.gz UZJCEHRECWGMGT-UHFFFAOYSA-N 0 0 440.525 3.572 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000065112123 569107931 /nfs/dbraw/zinc/10/79/31/569107931.db2.gz WKGZZSJRMGTQED-UHFFFAOYSA-N 0 0 431.489 3.843 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(F)c3)c2c1=O ZINC000065113546 569108431 /nfs/dbraw/zinc/10/84/31/569108431.db2.gz IHTYFFHEVGCKID-UHFFFAOYSA-N 0 0 434.471 3.679 50 0 IHAARN COc1cccc(-n2ccc(=O)c(-c3nc(-c4cccc(Br)c4)no3)n2)c1 ZINC000065129575 569108813 /nfs/dbraw/zinc/10/88/13/569108813.db2.gz GJJPDWCNEUPLJF-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130064 569109092 /nfs/dbraw/zinc/10/90/92/569109092.db2.gz ZFJHFCYNSDNZDH-UHFFFAOYSA-N 0 0 443.906 3.845 50 0 IHAARN Cc1c(F)cccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130265 569109199 /nfs/dbraw/zinc/10/91/99/569109199.db2.gz RLANKVZXTRFDBF-UHFFFAOYSA-N 0 0 445.494 3.757 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@@H](C)C3)ncn2)cc1 ZINC000065133283 569109935 /nfs/dbraw/zinc/10/99/35/569109935.db2.gz BRFACDOAXKNULX-HZPDHXFCSA-N 0 0 428.558 3.866 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130019 569110254 /nfs/dbraw/zinc/11/02/54/569110254.db2.gz QWTQMVMIGBZTTJ-UHFFFAOYSA-N 0 0 425.916 3.706 50 0 IHAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137448 569110450 /nfs/dbraw/zinc/11/04/50/569110450.db2.gz ARKPYUUZDPHUOD-UHFFFAOYSA-N 0 0 444.582 3.802 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000036447668 569110852 /nfs/dbraw/zinc/11/08/52/569110852.db2.gz RUOLEVZEGSMMDR-RUZDIDTESA-N 0 0 427.548 3.545 50 0 IHAARN Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)nc23)c1 ZINC000065150844 569111481 /nfs/dbraw/zinc/11/14/81/569111481.db2.gz KWMRZGDCZNPMEK-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000065151005 569111592 /nfs/dbraw/zinc/11/15/92/569111592.db2.gz IGBBOAUTBMFJMF-UHFFFAOYSA-N 0 0 431.949 3.916 50 0 IHAARN COCCn1cc(CCNC(=O)Nc2ccc(Br)cc2F)c2cccnc21 ZINC000065156531 569111964 /nfs/dbraw/zinc/11/19/64/569111964.db2.gz CZZSKGKCXWDKCM-UHFFFAOYSA-N 0 0 435.297 3.949 50 0 IHAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc(N(C)C)cc3)c3ccccc23)n1 ZINC000065154327 569112234 /nfs/dbraw/zinc/11/22/34/569112234.db2.gz CKRUZMZEOQRCLU-UHFFFAOYSA-N 0 0 431.496 3.880 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000065154446 569112327 /nfs/dbraw/zinc/11/23/27/569112327.db2.gz MKRNIQJWRCYIKM-UHFFFAOYSA-N 0 0 434.883 3.899 50 0 IHAARN O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CCC2)cc1N1CCOCC1 ZINC000065166268 569112546 /nfs/dbraw/zinc/11/25/46/569112546.db2.gz QAGROPWFSQAWEF-UHFFFAOYSA-N 0 0 427.932 3.845 50 0 IHAARN COc1ccc(-c2ncc3c(n2)CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)C3)cc1 ZINC000065169104 569112711 /nfs/dbraw/zinc/11/27/11/569112711.db2.gz SHQUMVTVMZPPCS-UHFFFAOYSA-N 0 0 429.929 3.861 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC(C)C)cc3)C2)cc1F ZINC000065179589 569113503 /nfs/dbraw/zinc/11/35/03/569113503.db2.gz GWRJFYBQNLBEJE-QGZVFWFLSA-N 0 0 428.504 3.904 50 0 IHAARN COc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC(C)C)cc3)CC2)cc1F ZINC000065180279 569113732 /nfs/dbraw/zinc/11/37/32/569113732.db2.gz UNGVRSPKOQMVDI-UHFFFAOYSA-N 0 0 428.504 3.904 50 0 IHAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4cc(Cl)ccc4OC)CC3=O)ccc21 ZINC000065195402 569115407 /nfs/dbraw/zinc/11/54/07/569115407.db2.gz VHLWTFFPEMQFNU-OAHLLOKOSA-N 0 0 441.915 3.639 50 0 IHAARN Cc1cc2nn(CC(=O)NCCC3=CCCCC3)c(=O)n2c(-c2cccc(Cl)c2)n1 ZINC000065196555 569115686 /nfs/dbraw/zinc/11/56/86/569115686.db2.gz WVGHPQFMWJGKKC-UHFFFAOYSA-N 0 0 425.920 3.527 50 0 IHAARN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccccc3Br)cc2C1 ZINC000065196243 569115709 /nfs/dbraw/zinc/11/57/09/569115709.db2.gz JIXVXPPZUFLSKF-UHFFFAOYSA-N 0 0 441.372 3.606 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)cc1OC ZINC000065210572 569116298 /nfs/dbraw/zinc/11/62/98/569116298.db2.gz JTIINDVFDYQTJP-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1ccc(Br)o1 ZINC000065209559 569116447 /nfs/dbraw/zinc/11/64/47/569116447.db2.gz HQYLOTFZVIWPGB-INIZCTEOSA-N 0 0 431.290 3.935 50 0 IHAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1nn(Cc2ccccc2)c2ccccc12 ZINC000065220035 569117283 /nfs/dbraw/zinc/11/72/83/569117283.db2.gz YFPQYRCIFYZAMX-UHFFFAOYSA-N 0 0 448.548 3.830 50 0 IHAARN C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1 ZINC000065228026 569117688 /nfs/dbraw/zinc/11/76/88/569117688.db2.gz QMTGGWRONMFVGN-APWZRJJASA-N 0 0 432.528 3.888 50 0 IHAARN CCN1CCCn2nc(C3CCN(C(=O)/C=C/c4cccc(Cl)c4)CC3)cc2C1=O ZINC000065225791 569117912 /nfs/dbraw/zinc/11/79/12/569117912.db2.gz FVVWKBCMCXJNDY-BQYQJAHWSA-N 0 0 426.948 3.822 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)Nc4ccc(NC(C)=O)cc4)CC3)o2)cc1 ZINC000065229643 569118275 /nfs/dbraw/zinc/11/82/75/569118275.db2.gz IEBQKHQTIINZFM-UHFFFAOYSA-N 0 0 435.484 3.559 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NC(=O)c1cc(C)ccc1N2C ZINC000065235371 569119242 /nfs/dbraw/zinc/11/92/42/569119242.db2.gz XFAPYJYFTXDKJM-UHFFFAOYSA-N 0 0 428.920 3.861 50 0 biogenic IHAARN CC[C@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)no1 ZINC000065235838 569119328 /nfs/dbraw/zinc/11/93/28/569119328.db2.gz OOFWPCSHKVAKHD-FQEVSTJZSA-N 0 0 446.555 3.976 50 0 IHAARN C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000036584192 569119778 /nfs/dbraw/zinc/11/97/78/569119778.db2.gz DGHYOQPVZJOFRG-CQSZACIVSA-N 0 0 429.432 3.981 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3nccs3)n2C)c1 ZINC000036584559 569119814 /nfs/dbraw/zinc/11/98/14/569119814.db2.gz WTOYOMGUUQKWHG-GOSISDBHSA-N 0 0 434.521 3.623 50 0 IHAARN CCc1csc(-c2ccc(N3CCN(C(=O)c4cccc(OC)c4OC)CC3)nc2)n1 ZINC000065240756 569120815 /nfs/dbraw/zinc/12/08/15/569120815.db2.gz IZAPHGBOBVYESV-UHFFFAOYSA-N 0 0 438.553 3.747 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1Cl ZINC000065241503 569121179 /nfs/dbraw/zinc/12/11/79/569121179.db2.gz APVVXMJBXTVPRF-UHFFFAOYSA-N 0 0 445.884 3.927 50 0 IHAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)o1 ZINC000065246582 569121802 /nfs/dbraw/zinc/12/18/02/569121802.db2.gz JMSFFOLOQSXYGR-UHFFFAOYSA-N 0 0 436.921 3.617 50 0 IHAARN CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000036614926 569122384 /nfs/dbraw/zinc/12/23/84/569122384.db2.gz GFYDVRJBONUDJF-UHFFFAOYSA-N 0 0 425.461 3.546 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@@H](Cn3cccn3)C(C)(C)C)c3c(C)nn(C)c3n2)c1 ZINC000036616099 569122762 /nfs/dbraw/zinc/12/27/62/569122762.db2.gz OACRDXOJKSNMBL-NRFANRHFSA-N 0 0 446.555 3.994 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2cnn(C)c2n1 ZINC000036616894 569122864 /nfs/dbraw/zinc/12/28/64/569122864.db2.gz DUYLNEKWWCUZOV-UHFFFAOYSA-N 0 0 425.290 3.536 50 0 IHAARN COC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524730216 569125966 /nfs/dbraw/zinc/12/59/66/569125966.db2.gz ZZLZBXYVDCERQI-IBGZPJMESA-N 0 0 425.506 3.660 50 0 biogenic IHAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N1CCc2ccccc2C1 ZINC000524731284 569126479 /nfs/dbraw/zinc/12/64/79/569126479.db2.gz RLMXAVAKHLGGCW-RUZDIDTESA-N 0 0 437.499 3.776 50 0 biogenic IHAARN COc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cc1OC ZINC000065265975 569127284 /nfs/dbraw/zinc/12/72/84/569127284.db2.gz ISWLYZBWDHNNBK-RUZDIDTESA-N 0 0 436.556 3.510 50 0 IHAARN CCCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2ccc(C)c(N3CCCC3=O)c2)C1 ZINC000065271108 569127800 /nfs/dbraw/zinc/12/78/00/569127800.db2.gz RHUGOAHIPWQXJZ-IBGZPJMESA-N 0 0 431.540 3.906 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(Cl)c(C)c2)CC3)CC1 ZINC000065273381 569129500 /nfs/dbraw/zinc/12/95/00/569129500.db2.gz TVVIBNUAGOCOED-HNNXBMFYSA-N 0 0 432.977 3.517 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273659 569129864 /nfs/dbraw/zinc/12/98/64/569129864.db2.gz QAFKDWGKBXQFPC-INIZCTEOSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1oc2c(c1C(=O)N1CCN(C(=O)c3ccco3)CC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289683 569130582 /nfs/dbraw/zinc/13/05/82/569130582.db2.gz VRFOZNSNMKGTAB-UHFFFAOYSA-N 0 0 447.535 3.646 50 0 IHAARN COc1cccc(CNC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)c1 ZINC000065294124 569131190 /nfs/dbraw/zinc/13/11/90/569131190.db2.gz PXUZHWCFVMLDCQ-UHFFFAOYSA-N 0 0 435.553 3.860 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)C5CCC5)CC4)nc32)cc1 ZINC000065299469 569132135 /nfs/dbraw/zinc/13/21/35/569132135.db2.gz NYBGJGPDGWOIOS-UHFFFAOYSA-N 0 0 425.558 3.684 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1ccccn1 ZINC000065307153 569133475 /nfs/dbraw/zinc/13/34/75/569133475.db2.gz QCTCAFGGFRPABL-KRWDZBQOSA-N 0 0 425.492 3.578 50 0 IHAARN CCc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)cc1 ZINC000065315257 569133840 /nfs/dbraw/zinc/13/38/40/569133840.db2.gz MFCNUWFTJGQYGT-UHFFFAOYSA-N 0 0 441.601 3.511 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)CC1 ZINC000065315281 569133891 /nfs/dbraw/zinc/13/38/91/569133891.db2.gz RVTVWPQJKLSSTP-UHFFFAOYSA-N 0 0 447.992 3.603 50 0 IHAARN O=C(Nc1ccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1)NC1CCCC1 ZINC000065315454 569134032 /nfs/dbraw/zinc/13/40/32/569134032.db2.gz TXRFXUJIKMLNLO-UHFFFAOYSA-N 0 0 427.549 3.521 50 0 IHAARN O=C(COc1ccccc1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000065315686 569134273 /nfs/dbraw/zinc/13/42/73/569134273.db2.gz IVHBRWHHGYTRLM-UHFFFAOYSA-N 0 0 446.551 3.745 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000065318815 569134466 /nfs/dbraw/zinc/13/44/66/569134466.db2.gz HFUYVHWQRFOAMI-UHFFFAOYSA-N 0 0 440.525 3.699 50 0 IHAARN COc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000065315083 569135690 /nfs/dbraw/zinc/13/56/90/569135690.db2.gz KBEWFNMWSWLNRH-UHFFFAOYSA-N 0 0 431.558 3.616 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000036708433 569135852 /nfs/dbraw/zinc/13/58/52/569135852.db2.gz JGENJBHFHQNCIC-HXUWFJFHSA-N 0 0 435.549 3.612 50 0 IHAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708459 569135939 /nfs/dbraw/zinc/13/59/39/569135939.db2.gz JYGAFDIPPODFCC-GFCCVEGCSA-N 0 0 444.563 3.833 50 0 IHAARN CCCc1cc(=O)[nH]c(SCc2nc(-c3ccc(F)c(Br)c3)no2)n1 ZINC000065330995 569137020 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CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000170614914 569146477 /nfs/dbraw/zinc/14/64/77/569146477.db2.gz FRCKNUJHOKRELR-QRVBRYPASA-N 0 0 430.545 3.761 50 0 IHAARN O=S(=O)(N[C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000170619794 569147516 /nfs/dbraw/zinc/14/75/16/569147516.db2.gz FBKPOHDSMVRQSD-AWEZNQCLSA-N 0 0 430.839 3.739 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000170620393 569147930 /nfs/dbraw/zinc/14/79/30/569147930.db2.gz NTMIBTAVLSRJBS-IBGZPJMESA-N 0 0 437.443 3.877 50 0 IHAARN COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1CC(C)C ZINC000170622221 569147974 /nfs/dbraw/zinc/14/79/74/569147974.db2.gz BZLLJKFVZHZDIX-UHFFFAOYSA-N 0 0 428.514 3.790 50 0 IHAARN Cn1cc([C@@H]2[C@H](C(=O)NCC3(c4cccc(Cl)c4)CCCC3)CCC(=O)N2C)cn1 ZINC000170627118 569148654 /nfs/dbraw/zinc/14/86/54/569148654.db2.gz AKXBIOIPDSJHIC-TZIWHRDSSA-N 0 0 428.964 3.611 50 0 IHAARN CC(C)C[C@H]1COCCN1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 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O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014072719 569157647 /nfs/dbraw/zinc/15/76/47/569157647.db2.gz KSBZDJHCJUYZFK-KRWDZBQOSA-N 0 0 441.578 3.856 50 0 IHAARN CCOC(=O)CN(C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl)c1ccccc1 ZINC000014058460 569157728 /nfs/dbraw/zinc/15/77/28/569157728.db2.gz ZSGGLFFTLYEDGS-UHFFFAOYSA-N 0 0 429.856 3.730 50 0 IHAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000014365084 569158822 /nfs/dbraw/zinc/15/88/22/569158822.db2.gz TUHSHXSRGVIRDO-UHFFFAOYSA-N 0 0 433.382 3.698 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014502302 569159223 /nfs/dbraw/zinc/15/92/23/569159223.db2.gz MPNZMMKKUZOAAD-UHFFFAOYSA-N 0 0 438.487 3.823 50 0 IHAARN O=C(Cn1c(=O)cnc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014502426 569159263 /nfs/dbraw/zinc/15/92/63/569159263.db2.gz ALGQTLQSWOMYGL-UHFFFAOYSA-N 0 0 449.514 3.625 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c(Br)cc2C[C@H]1C ZINC000251682488 569159313 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/nfs/dbraw/zinc/16/59/39/569165939.db2.gz GHOWCMCGUCHABL-UHFFFAOYSA-N 0 0 425.488 3.961 50 0 IHAARN COc1cc(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc(OC)c1Br ZINC000089904889 569167199 /nfs/dbraw/zinc/16/71/99/569167199.db2.gz VBPGHEUJHAOUGL-NDHGSNPTSA-N 0 0 426.332 3.695 50 0 IHAARN COc1ccccc1[C@]1(C)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000089917095 569167471 /nfs/dbraw/zinc/16/74/71/569167471.db2.gz RJURBURTPQJKOH-VWLOTQADSA-N 0 0 429.476 3.915 50 0 IHAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O ZINC000089917107 569167526 /nfs/dbraw/zinc/16/75/26/569167526.db2.gz KFRMSGLERXWVLK-NRFANRHFSA-N 0 0 425.828 3.691 50 0 IHAARN COc1ccc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000016960230 569168126 /nfs/dbraw/zinc/16/81/26/569168126.db2.gz KBPSOOMHEAUVEQ-CQSZACIVSA-N 0 0 437.568 3.548 50 0 IHAARN CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000089941927 569168379 /nfs/dbraw/zinc/16/83/79/569168379.db2.gz XCXLOXGFNSGXGW-IFMALSPDSA-N 0 0 438.601 3.832 50 0 IHAARN Cc1nn(C(=O)c2cccc(C(F)(F)F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000016976286 569168762 /nfs/dbraw/zinc/16/87/62/569168762.db2.gz CGGUUKRKIWIJKS-UHFFFAOYSA-N 0 0 429.464 3.628 50 0 IHAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc2c(c1)OCCO2 ZINC000016978576 569169243 /nfs/dbraw/zinc/16/92/43/569169243.db2.gz NLTBRTFUPNPJOI-UHFFFAOYSA-N 0 0 430.530 3.940 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017014049 569170787 /nfs/dbraw/zinc/17/07/87/569170787.db2.gz WDISUXHZJNBWRE-UHFFFAOYSA-N 0 0 444.944 3.848 50 0 IHAARN Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cc(C)ccc2C)c1 ZINC000017026172 569170977 /nfs/dbraw/zinc/17/09/77/569170977.db2.gz SONUJXYBDVZLJG-UHFFFAOYSA-N 0 0 447.564 3.761 50 0 IHAARN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)COCc1ccccc1 ZINC000037356008 569171160 /nfs/dbraw/zinc/17/11/60/569171160.db2.gz ZPOFYRGOCIQOPK-GOSISDBHSA-N 0 0 436.487 3.662 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)n2)cc1OC ZINC000017043569 569171484 /nfs/dbraw/zinc/17/14/84/569171484.db2.gz IXDZSMRCFAUYEJ-UHFFFAOYSA-N 0 0 432.523 3.548 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000017051867 569171874 /nfs/dbraw/zinc/17/18/74/569171874.db2.gz FRPKJXVJRYWRAW-UHFFFAOYSA-N 0 0 430.551 3.719 50 0 IHAARN COc1cc(C(=O)N(c2ccc(C(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000017113637 569174133 /nfs/dbraw/zinc/17/41/33/569174133.db2.gz BEFVGZKHQIVMJP-LJQANCHMSA-N 0 0 445.537 3.793 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Cl)cc4)n3n2)c1 ZINC000017135554 569174370 /nfs/dbraw/zinc/17/43/70/569174370.db2.gz FHEGIGJKYKMLFO-UHFFFAOYSA-N 0 0 432.958 3.941 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCC1N=NC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000017155366 569174999 /nfs/dbraw/zinc/17/49/99/569174999.db2.gz KWNACAPXLCMYEM-UHFFFAOYSA-N 0 0 442.850 3.923 50 0 IHAARN O=C(Nc1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000017177966 569175565 /nfs/dbraw/zinc/17/55/65/569175565.db2.gz XBJWVJITLNSWIK-UHFFFAOYSA-N 0 0 430.867 3.598 50 0 IHAARN CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000170635551 569176453 /nfs/dbraw/zinc/17/64/53/569176453.db2.gz OEMLEGYPTDRGSL-JTQLQIEISA-N 0 0 428.860 3.647 50 0 IHAARN CSc1nc(=S)c2sc3nc(N4CCOCC4)c4c(c3c2[nH]1)CC(C)(C)OC4 ZINC000002870561 569177481 /nfs/dbraw/zinc/17/74/81/569177481.db2.gz VQUCEMABVAKWBR-UHFFFAOYSA-N 0 0 434.612 3.938 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(SC)c2)C1 ZINC000002873599 569177581 /nfs/dbraw/zinc/17/75/81/569177581.db2.gz MCWCYDVUMKJDCA-MRXNPFEDSA-N 0 0 434.583 3.765 50 0 IHAARN COCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002088244 569178424 /nfs/dbraw/zinc/17/84/24/569178424.db2.gz XSTPUQWYWMEPSR-KBPBESRZSA-N 0 0 447.255 3.682 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC[C@H]1c1ccco1 ZINC000170637994 569178531 /nfs/dbraw/zinc/17/85/31/569178531.db2.gz CEOTXAKDFKQZIY-SFHVURJKSA-N 0 0 433.526 3.749 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCCN(C)c3ccc(Cl)cc31)CC2 ZINC000170639900 569180122 /nfs/dbraw/zinc/18/01/22/569180122.db2.gz PDADLJLUWRVSGF-UHFFFAOYSA-N 0 0 429.948 3.588 50 0 IHAARN COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000002104420 569180197 /nfs/dbraw/zinc/18/01/97/569180197.db2.gz ZUOBGDKIPVNTNR-MRXNPFEDSA-N 0 0 433.464 3.667 50 0 biogenic IHAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000002111024 569181974 /nfs/dbraw/zinc/18/19/74/569181974.db2.gz QGXFHCQDCFOODI-RAWGQGSESA-N 0 0 427.541 3.975 50 0 biogenic IHAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(C)C)CC(=O)N21 ZINC000002110969 569181978 /nfs/dbraw/zinc/18/19/78/569181978.db2.gz JLUBURQLXZTLBR-OFVILXPXSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCc2ccccc2)cc1 ZINC000002117513 569182556 /nfs/dbraw/zinc/18/25/56/569182556.db2.gz LSCFTZXNPQDHBV-FYJGNVAPSA-N 0 0 430.460 3.511 50 0 IHAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002149754 569187215 /nfs/dbraw/zinc/18/72/15/569187215.db2.gz CUOGZIDNRDHEQK-IBGZPJMESA-N 0 0 429.494 3.544 50 0 biogenic IHAARN CC[C@H](C)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000252506989 569188180 /nfs/dbraw/zinc/18/81/80/569188180.db2.gz WEXKBKYARZFHRP-NYSBEXSLSA-N 0 0 433.512 3.876 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1Cl ZINC000007604604 569192044 /nfs/dbraw/zinc/19/20/44/569192044.db2.gz JHCDGEJKSMWVLZ-INIZCTEOSA-N 0 0 428.982 3.542 50 0 IHAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(C)=O ZINC000037401263 569195124 /nfs/dbraw/zinc/19/51/24/569195124.db2.gz AZLRALYCJHEZQR-OAHLLOKOSA-N 0 0 448.541 3.568 50 0 IHAARN CC[C@H](C(=O)NC[C@@H]1CCCO1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428290 569195964 /nfs/dbraw/zinc/19/59/64/569195964.db2.gz CFTJBJZPMGNYGD-AWZRVSGHSA-N 0 0 442.368 3.844 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)NC2CC2)c1 ZINC000037428243 569196036 /nfs/dbraw/zinc/19/60/36/569196036.db2.gz UNVSHHQCQUMLSW-LCUIJRPUSA-N 0 0 435.549 3.857 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524532 569198855 /nfs/dbraw/zinc/19/88/55/569198855.db2.gz LYIDVROWFMHLPN-SFHVURJKSA-N 0 0 441.959 3.648 50 0 IHAARN COc1ccccc1Oc1c(CCC(=O)N2CCOCC2)c(C)nn1-c1ccc(F)cc1 ZINC000037547028 569199888 /nfs/dbraw/zinc/19/98/88/569199888.db2.gz AEBWAVHQIGULGJ-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccccc2F)cc1 ZINC000037546810 569200262 /nfs/dbraw/zinc/20/02/62/569200262.db2.gz CHGUNPVVJYOCEQ-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN CN1OC[C@@H](S(=O)(=O)NCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037553398 569200360 /nfs/dbraw/zinc/20/03/60/569200360.db2.gz QNXHNVLMCWGPBQ-RPWUZVMVSA-N 0 0 438.549 3.672 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N1CCOCC1 ZINC000037603057 569202491 /nfs/dbraw/zinc/20/24/91/569202491.db2.gz ODFVENRMSWZRPU-DQEYMECFSA-N 0 0 448.563 3.587 50 0 IHAARN O=C(NCc1ccccc1)C1=NO[C@H](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000066088372 569205705 /nfs/dbraw/zinc/20/57/05/569205705.db2.gz NJOGRRQCSBJQRG-INIZCTEOSA-N 0 0 441.285 3.503 50 0 IHAARN CC1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c32)CO1 ZINC000002228817 569208278 /nfs/dbraw/zinc/20/82/78/569208278.db2.gz NILJCYPDDUTUHE-UHFFFAOYSA-N 0 0 428.583 3.576 50 0 IHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 ZINC000002234609 569211476 /nfs/dbraw/zinc/21/14/76/569211476.db2.gz VHQFEOKLKPIXQD-HNNXBMFYSA-N 0 0 427.498 3.795 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CS(=O)(=O)C2 ZINC000003008472 569212929 /nfs/dbraw/zinc/21/29/29/569212929.db2.gz PVEFPIOOCKBVLM-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002253099 569215020 /nfs/dbraw/zinc/21/50/20/569215020.db2.gz GDWXFLKHTHIMKT-MRXNPFEDSA-N 0 0 435.915 3.929 50 0 IHAARN CCOC(=O)[C@@](NC(=O)N(C1=NCC(C)(C)S1)c1cccc(C)c1)(OC)C(F)(F)F ZINC000002270369 569217107 /nfs/dbraw/zinc/21/71/07/569217107.db2.gz RHDNTURYKSGKIW-GOSISDBHSA-N 0 0 447.479 3.861 50 0 biogenic IHAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)[C@@H]1C ZINC000013126926 569256752 /nfs/dbraw/zinc/25/67/52/569256752.db2.gz OHFOYVMLLSKEPX-QBPKDAKJSA-N 0 0 444.553 3.621 50 0 IHAARN COc1ccc([C@H](CC(=O)N[C@H]2CCCC[C@@H]2C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019925658 569257078 /nfs/dbraw/zinc/25/70/78/569257078.db2.gz KKONREIPCXSWSA-SSKFGXFMSA-N 0 0 448.560 3.939 50 0 IHAARN COc1ccc(Br)c(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 ZINC000253401428 569264944 /nfs/dbraw/zinc/26/49/44/569264944.db2.gz MWYZFEYHPQQISP-QGZVFWFLSA-N 0 0 425.348 3.571 50 0 IHAARN O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000253405662 569265315 /nfs/dbraw/zinc/26/53/15/569265315.db2.gz SYTUMEWXGTWVEW-UHFFFAOYSA-N 0 0 436.339 3.909 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000253414143 569266159 /nfs/dbraw/zinc/26/61/59/569266159.db2.gz WPFNGTUYTLJJSF-SFTDATJTSA-N 0 0 430.508 3.562 50 0 biogenic IHAARN COCC1(CNC(=O)c2cnc(-c3ccccc3)nc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416751 569266362 /nfs/dbraw/zinc/26/63/62/569266362.db2.gz PIGHZPUHCKWJCD-UHFFFAOYSA-N 0 0 440.544 3.537 50 0 IHAARN O=c1c2ccccc2nc(SCCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1 ZINC000253425865 569267032 /nfs/dbraw/zinc/26/70/32/569267032.db2.gz UKWDIZZTQHCPSA-UHFFFAOYSA-N 0 0 433.936 3.993 50 0 IHAARN COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC000027571133 569273538 /nfs/dbraw/zinc/27/35/38/569273538.db2.gz UWDCAFSARDUOHW-UHFFFAOYSA-N 0 0 431.427 3.920 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O ZINC000252506585 569288084 /nfs/dbraw/zinc/28/80/84/569288084.db2.gz WBEIBLAEUZKUHK-GCJKJVERSA-N 0 0 449.551 3.941 50 0 IHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000002365262 569288381 /nfs/dbraw/zinc/28/83/81/569288381.db2.gz YTHPSGFHTPDZEX-AWEZNQCLSA-N 0 0 429.926 3.919 50 0 IHAARN O=C(/C=C/c1ccc(Br)cc1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 ZINC000253474312 569289135 /nfs/dbraw/zinc/28/91/35/569289135.db2.gz FBHLYHNQCLUWLM-FPYGCLRLSA-N 0 0 444.716 3.709 50 0 IHAARN COc1cccc(NC(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000013360581 569289935 /nfs/dbraw/zinc/28/99/35/569289935.db2.gz GUPALCJFCXSBOR-UHFFFAOYSA-N 0 0 444.538 3.543 50 0 IHAARN O=C(/C=C/c1ccc(Br)o1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000009508102 569297059 /nfs/dbraw/zinc/29/70/59/569297059.db2.gz BIWCMAGUIKXBMF-QNQPVOBRSA-N 0 0 447.310 3.908 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000002407577 569300386 /nfs/dbraw/zinc/30/03/86/569300386.db2.gz OFXIJHAFXDOPAM-GOSISDBHSA-N 0 0 435.461 3.720 50 0 IHAARN COc1ccc(Cn2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002412221 569301068 /nfs/dbraw/zinc/30/10/68/569301068.db2.gz GJWIEJUWLJGFFG-KRWDZBQOSA-N 0 0 432.480 3.559 50 0 IHAARN COc1ccc(-c2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1OC ZINC000002413298 569301151 /nfs/dbraw/zinc/30/11/51/569301151.db2.gz LGPQYJPJQLDTSX-UHFFFAOYSA-N 0 0 425.437 3.617 50 0 biogenic IHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000002415691 569301356 /nfs/dbraw/zinc/30/13/56/569301356.db2.gz RNKFWCAPHMTJBF-HNNXBMFYSA-N 0 0 427.498 3.795 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002422855 569302283 /nfs/dbraw/zinc/30/22/83/569302283.db2.gz FLZSHEQGLFRKQL-QZTJIDSGSA-N 0 0 427.892 3.671 50 0 IHAARN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc(Cl)c3)nn12 ZINC000002438003 569303925 /nfs/dbraw/zinc/30/39/25/569303925.db2.gz HTAOZVHGXHPSIS-UHFFFAOYSA-N 0 0 428.930 3.941 50 0 IHAARN COC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)cnn1C)CCCCCC2 ZINC000002450205 569304775 /nfs/dbraw/zinc/30/47/75/569304775.db2.gz PGIGIFGQGBUYRU-UHFFFAOYSA-N 0 0 440.978 3.707 50 0 IHAARN COC(=O)[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000012950312 569305117 /nfs/dbraw/zinc/30/51/17/569305117.db2.gz RSGRHSGNSDODOT-GOSISDBHSA-N 0 0 433.386 3.719 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)sc2C)cc1 ZINC000012993115 569306091 /nfs/dbraw/zinc/30/60/91/569306091.db2.gz WUZFFWVCLKTOFB-XMHCIUCPSA-N 0 0 442.541 3.566 50 0 IHAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N ZINC000013038854 569307867 /nfs/dbraw/zinc/30/78/67/569307867.db2.gz NFXCYNOSHBPMAU-KBPBESRZSA-N 0 0 428.583 3.720 50 0 IHAARN CCOc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000013042347 569308254 /nfs/dbraw/zinc/30/82/54/569308254.db2.gz IJDUUDNABIMZCF-UHFFFAOYSA-N 0 0 431.558 3.619 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000013042332 569308302 /nfs/dbraw/zinc/30/83/02/569308302.db2.gz NYVPCNYAEWKANG-BEFAXECRSA-N 0 0 434.533 3.621 50 0 IHAARN NC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 ZINC000013063484 569308753 /nfs/dbraw/zinc/30/87/53/569308753.db2.gz UYDXFIRRNGORTC-UHFFFAOYSA-N 0 0 427.961 3.878 50 0 IHAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013109619 569310262 /nfs/dbraw/zinc/31/02/62/569310262.db2.gz XKVXHSHNUYGBTO-IBGZPJMESA-N 0 0 428.535 3.725 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CNC(c1ccccc1)c1ccccc1 ZINC000013164445 569312361 /nfs/dbraw/zinc/31/23/61/569312361.db2.gz CGCGNZBQXHQXNQ-UHFFFAOYSA-N 0 0 433.527 3.670 50 0 IHAARN O=C(COc1ccccc1)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1 ZINC000013354154 569313446 /nfs/dbraw/zinc/31/34/46/569313446.db2.gz BUOXYXGOEMJINC-UHFFFAOYSA-N 0 0 441.578 3.805 50 0 IHAARN O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1ccccc1Cl ZINC000013361158 569314077 /nfs/dbraw/zinc/31/40/77/569314077.db2.gz WLJMFSKKEBIZSE-UHFFFAOYSA-N 0 0 429.914 3.973 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)CC)cc1 ZINC000013365842 569314251 /nfs/dbraw/zinc/31/42/51/569314251.db2.gz AYSOQPDKPBJCNI-MRXNPFEDSA-N 0 0 444.553 3.575 50 0 IHAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(C)ccc1NS(=O)(=O)c1ccccc1C ZINC000328597985 569318142 /nfs/dbraw/zinc/31/81/42/569318142.db2.gz JYEGONLPWADUDH-DEOSSOPVSA-N 0 0 438.549 3.956 50 0 IHAARN CC(C)(C)CC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000078822632 569319495 /nfs/dbraw/zinc/31/94/95/569319495.db2.gz PZJWQZKZGFFOED-UHFFFAOYSA-N 0 0 446.407 3.667 50 0 IHAARN Cc1[nH]c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c(C)c1C(=O)OC(C)C ZINC000078875138 569319707 /nfs/dbraw/zinc/31/97/07/569319707.db2.gz CAVDHDPCRNXQOA-MRXNPFEDSA-N 0 0 431.920 3.776 50 0 IHAARN Nc1c(Br)c(N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000078903654 569320215 /nfs/dbraw/zinc/32/02/15/569320215.db2.gz JESDRXJHTGCVEJ-NSHDSACASA-N 0 0 437.269 3.934 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1 ZINC000078903596 569320247 /nfs/dbraw/zinc/32/02/47/569320247.db2.gz BOUGRAJDSNOHGX-UHFFFAOYSA-N 0 0 434.544 3.633 50 0 IHAARN Cc1csc(C2(NC(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CCCC2)n1 ZINC000079033688 569322934 /nfs/dbraw/zinc/32/29/34/569322934.db2.gz XZNVCZPJSFBJPP-UHFFFAOYSA-N 0 0 438.336 3.940 50 0 IHAARN Cc1c(NC(=O)[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000079055024 569323665 /nfs/dbraw/zinc/32/36/65/569323665.db2.gz TZKZMCHVSIZTPI-OALUTQOASA-N 0 0 442.560 3.897 50 0 IHAARN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1c1ncnc2c1cnn2-c1ccccc1 ZINC000079076552 569324716 /nfs/dbraw/zinc/32/47/16/569324716.db2.gz UPDQOIJODDSPCL-NRFANRHFSA-N 0 0 440.507 3.748 50 0 IHAARN Cc1cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C[C@H]2CCCO2)cs1 ZINC000019643933 569325097 /nfs/dbraw/zinc/32/50/97/569325097.db2.gz POQQMQUIZDAGMN-OAHLLOKOSA-N 0 0 445.595 3.856 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)CC[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1 ZINC000079095545 569325269 /nfs/dbraw/zinc/32/52/69/569325269.db2.gz TZWZGMIKTFWGJW-TZIWHRDSSA-N 0 0 428.554 3.797 50 0 IHAARN CC(C)CN(Cc1nc2cc(Cl)ccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000079103769 569325745 /nfs/dbraw/zinc/32/57/45/569325745.db2.gz BPGUHGQFIODMBR-UHFFFAOYSA-N 0 0 435.981 3.701 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 ZINC000019796462 569329571 /nfs/dbraw/zinc/32/95/71/569329571.db2.gz HMFYNAJVPDYLBW-UHFFFAOYSA-N 0 0 425.466 3.719 50 0 IHAARN COc1cc2c3cnn(Cc4cccc(OC(F)(F)F)c4)c(=O)c3n(C)c2cc1OC ZINC000079478382 569330703 /nfs/dbraw/zinc/33/07/03/569330703.db2.gz AMZSZVQVRFLKAZ-UHFFFAOYSA-N 0 0 433.386 3.852 50 0 IHAARN COc1ccc(C=O)cc1Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCC3 ZINC000020152560 569353444 /nfs/dbraw/zinc/35/34/44/569353444.db2.gz JIDMNPQJTIQZSC-UHFFFAOYSA-N 0 0 432.501 3.572 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCO2)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390827317 569353928 /nfs/dbraw/zinc/35/39/28/569353928.db2.gz WYVIHLJMIYEECX-UHFFFAOYSA-N 0 0 438.553 3.514 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4nc5ccc(Cl)cc5s4)C3)ncn2)n1 ZINC000390827449 569353932 /nfs/dbraw/zinc/35/39/32/569353932.db2.gz XXXXFAMSNGCZNY-UHFFFAOYSA-N 0 0 439.932 3.617 50 0 IHAARN COC(CNC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)OC ZINC000020181449 569355384 /nfs/dbraw/zinc/35/53/84/569355384.db2.gz QACZJLMLYWMZFS-WOJGMQOQSA-N 0 0 432.929 3.555 50 0 IHAARN CCOC(=O)C1=C(CN2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214288 569356569 /nfs/dbraw/zinc/35/65/69/569356569.db2.gz BWYPKTLLUSNBCF-AUSIDOKSSA-N 0 0 437.515 3.795 50 0 IHAARN CCOC(=O)C1=C(CNc2cc(OCC)ccc2OCC)NC(=O)N[C@H]1c1ccccc1 ZINC000020283294 569358929 /nfs/dbraw/zinc/35/89/29/569358929.db2.gz UOINLQQLVZLLIR-QFIPXVFZSA-N 0 0 439.512 3.767 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](NS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC000020326419 569360449 /nfs/dbraw/zinc/36/04/49/569360449.db2.gz IQMNPPIDTHEZPH-HXUWFJFHSA-N 0 0 447.582 3.863 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C(C)C)cc2s1 ZINC000020326346 569360471 /nfs/dbraw/zinc/36/04/71/569360471.db2.gz OPAAQZNJXROOFK-QRKDATQKSA-N 0 0 437.631 3.849 50 0 IHAARN O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095349499 569361790 /nfs/dbraw/zinc/36/17/90/569361790.db2.gz RCIPWOTTXKUHIE-RXMQYKEDSA-N 0 0 439.048 3.978 50 0 IHAARN O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000080328317 569362305 /nfs/dbraw/zinc/36/23/05/569362305.db2.gz ZZDYOAOQXSHBDJ-HNNXBMFYSA-N 0 0 435.355 3.510 50 0 IHAARN Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1Cl ZINC000020412476 569364156 /nfs/dbraw/zinc/36/41/56/569364156.db2.gz FRKHOANWRDVLTJ-UHFFFAOYSA-N 0 0 426.900 3.801 50 0 IHAARN Cc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417271 569364905 /nfs/dbraw/zinc/36/49/05/569364905.db2.gz FLNDBPICELIZEN-UHFFFAOYSA-N 0 0 440.425 3.919 50 0 IHAARN Cc1c2cnn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417406 569364914 /nfs/dbraw/zinc/36/49/14/569364914.db2.gz NLXCCJVFZCGKGU-UHFFFAOYSA-N 0 0 432.499 3.661 50 0 IHAARN CC(C)c1[nH]nc(C(=O)Nc2ccncc2I)c1Br ZINC000095413742 569365344 /nfs/dbraw/zinc/36/53/44/569365344.db2.gz NNCRGCYYEYZJKO-UHFFFAOYSA-N 0 0 435.063 3.548 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@@H]43)CC2)c2ccccc12 ZINC000095410789 569365353 /nfs/dbraw/zinc/36/53/53/569365353.db2.gz AWUULEBLJRQDCC-XXBNENTESA-N 0 0 436.552 3.728 50 0 IHAARN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 ZINC000095444843 569367171 /nfs/dbraw/zinc/36/71/71/569367171.db2.gz MTGAZERGVWTLIG-KRWDZBQOSA-N 0 0 448.633 3.945 50 0 IHAARN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC(N3CCn4ccnc4C3)CC2)cc1 ZINC000095450305 569367791 /nfs/dbraw/zinc/36/77/91/569367791.db2.gz KMXDFHGNTSBZLK-UHFFFAOYSA-N 0 0 444.539 3.648 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000095454064 569368214 /nfs/dbraw/zinc/36/82/14/569368214.db2.gz JWXXUTQMDKGDTJ-NFBKMPQASA-N 0 0 430.980 3.830 50 0 IHAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)CCc1c(C)nc2ncnn2c1C ZINC000095455883 569368695 /nfs/dbraw/zinc/36/86/95/569368695.db2.gz WNTUASTUFDSOTO-UHFFFAOYSA-N 0 0 425.489 3.935 50 0 IHAARN CSc1nc(C)c(CCC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c(C)n1 ZINC000095456437 569368864 /nfs/dbraw/zinc/36/88/64/569368864.db2.gz OADNODGQYCEQAS-UHFFFAOYSA-N 0 0 435.597 3.772 50 0 IHAARN O=S(=O)(Nc1cncc(Br)c1Br)c1cc(F)ccc1F ZINC000095457221 569368920 /nfs/dbraw/zinc/36/89/20/569368920.db2.gz QOQCTNMIZGPELA-UHFFFAOYSA-N 0 0 428.052 3.686 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cnc(N2CCCCC2)c(C)c1 ZINC000095462451 569370137 /nfs/dbraw/zinc/37/01/37/569370137.db2.gz CMAXEZSIUOBQIF-UHFFFAOYSA-N 0 0 433.560 3.771 50 0 IHAARN CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1OC ZINC000095465523 569370790 /nfs/dbraw/zinc/37/07/90/569370790.db2.gz LRPYGPUXBLVRIR-OAHLLOKOSA-N 0 0 446.931 3.844 50 0 IHAARN COc1ccc([C@H](NC(=O)CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 ZINC000095466606 569370934 /nfs/dbraw/zinc/37/09/34/569370934.db2.gz ULWVTNJUGLLVNK-YADHBBJMSA-N 0 0 437.544 3.940 50 0 IHAARN COc1ccc(CCc2nc(NC(=O)CCc3cn(C)c4ccccc34)n[nH]2)cc1OC ZINC000095476380 569373034 /nfs/dbraw/zinc/37/30/34/569373034.db2.gz PGRLZLGFFOUCII-UHFFFAOYSA-N 0 0 433.512 3.670 50 0 IHAARN CC(C)Cn1cc(C(=O)NCCCCCc2nnc3ccccn32)c2ccccc2c1=O ZINC000095479110 569373644 /nfs/dbraw/zinc/37/36/44/569373644.db2.gz OJRIDELKGZOZCJ-UHFFFAOYSA-N 0 0 431.540 3.843 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c1 ZINC000095481963 569374217 /nfs/dbraw/zinc/37/42/17/569374217.db2.gz ZJQATNCVNVBTET-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482338 569374283 /nfs/dbraw/zinc/37/42/83/569374283.db2.gz OMLTZMIFPLVENE-LBPRGKRZSA-N 0 0 432.274 3.591 50 0 IHAARN CCC(=O)OCCN1CCN(CCN(C(=O)CC)c2ccc(C3CCCC3)cc2)CC1 ZINC000095902878 569375080 /nfs/dbraw/zinc/37/50/80/569375080.db2.gz SSYKMTROPKJHIE-UHFFFAOYSA-N 0 0 429.605 3.658 50 0 IHAARN CCn1c2ccccc2nc1[C@@H](C)NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095941268 569375446 /nfs/dbraw/zinc/37/54/46/569375446.db2.gz VXQILJIZBBQQMY-MRXNPFEDSA-N 0 0 434.569 3.997 50 0 IHAARN COCc1ccc(C(=O)N(C[C@H]2CCCN(C(=O)c3ccc(COC)o3)C2)C(C)C)o1 ZINC000095979881 569377772 /nfs/dbraw/zinc/37/77/72/569377772.db2.gz BUHCYXVERFZTOZ-KRWDZBQOSA-N 0 0 432.517 3.568 50 0 IHAARN COc1cc([C@@H](NC(=O)c2ccc3c(c2)OCCO3)C(F)(F)F)cc(OC)c1OC ZINC000095995568 569378585 /nfs/dbraw/zinc/37/85/85/569378585.db2.gz WMFPRXUGJDCPQP-GOSISDBHSA-N 0 0 427.375 3.517 50 0 IHAARN O=C([C@H](c1ccccc1)N1CCSCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000096004657 569379306 /nfs/dbraw/zinc/37/93/06/569379306.db2.gz BHLRVRYKNWWCAX-QHCPKHFHSA-N 0 0 436.556 3.686 50 0 IHAARN O=C1CCCN1C[C@H]1CCCCN1Cc1ncc(Br)cc1Br ZINC000096013597 569380353 /nfs/dbraw/zinc/38/03/53/569380353.db2.gz SCTIALPHHZMJMV-CYBMUJFWSA-N 0 0 431.172 3.584 50 0 IHAARN C[C@H](C(=O)Nc1cc(-n2ccc3ccccc32)ncn1)n1nc(-c2cccs2)ccc1=O ZINC000096025276 569380628 /nfs/dbraw/zinc/38/06/28/569380628.db2.gz LEPJDBSWRDTJFK-OAHLLOKOSA-N 0 0 442.504 3.905 50 0 IHAARN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc21 ZINC000096025627 569380812 /nfs/dbraw/zinc/38/08/12/569380812.db2.gz NWOMXAVZEIHBNE-UHFFFAOYSA-N 0 0 449.488 3.515 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099464 569381550 /nfs/dbraw/zinc/38/15/50/569381550.db2.gz YQRLJRHJKOFCTH-UHFFFAOYSA-N 0 0 440.334 3.596 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105294 569382202 /nfs/dbraw/zinc/38/22/02/569382202.db2.gz DFKIGSWOOVISQP-UHFFFAOYSA-N 0 0 446.334 3.649 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119645 569384633 /nfs/dbraw/zinc/38/46/33/569384633.db2.gz INIOZHCXJWNLOR-UHFFFAOYSA-N 0 0 448.504 3.525 50 0 IHAARN O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccccc1Br ZINC000096121750 569385137 /nfs/dbraw/zinc/38/51/37/569385137.db2.gz YYXOHPANNOUODT-UHFFFAOYSA-N 0 0 447.358 3.564 50 0 IHAARN O=C(CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2)NCc1ccco1 ZINC000096129864 569385922 /nfs/dbraw/zinc/38/59/22/569385922.db2.gz AYUKINRCAXOJTK-DTQAZKPQSA-N 0 0 427.460 3.954 50 0 IHAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccc(O)c(OC)c1 ZINC000096231491 569387581 /nfs/dbraw/zinc/38/75/81/569387581.db2.gz XHCQFDPQPAKVID-LBPRGKRZSA-N 0 0 436.386 3.533 50 0 IHAARN CCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000096276342 569388537 /nfs/dbraw/zinc/38/85/37/569388537.db2.gz DXPWNYADYRXRDE-UHFFFAOYSA-N 0 0 448.567 3.592 50 0 IHAARN CCC(=O)Nc1ccc2c(cc(C(=O)N3CCN(CC)CC3)n2Cc2cccc(F)c2)c1 ZINC000096276808 569388641 /nfs/dbraw/zinc/38/86/41/569388641.db2.gz HLORFPZGGWMEHU-UHFFFAOYSA-N 0 0 436.531 3.955 50 0 IHAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)c(F)c2)c1)CC(C)C ZINC000096289271 569390650 /nfs/dbraw/zinc/39/06/50/569390650.db2.gz WEINQBKSWRFHSN-UHFFFAOYSA-N 0 0 438.521 3.790 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccccc4OC)ncn3)C[C@@H]2C)c1 ZINC000096293759 569391654 /nfs/dbraw/zinc/39/16/54/569391654.db2.gz MFYRHSPNLDZSED-KRWDZBQOSA-N 0 0 434.496 3.637 50 0 IHAARN COCCn1c(C[C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2cccnc21 ZINC000096310572 569392591 /nfs/dbraw/zinc/39/25/91/569392591.db2.gz OKBDHIOPMPCLQD-HNNXBMFYSA-N 0 0 430.911 3.504 50 0 IHAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(Cl)c1 ZINC000096317162 569393148 /nfs/dbraw/zinc/39/31/48/569393148.db2.gz MYTXFYONHXVXLI-UHFFFAOYSA-N 0 0 440.975 3.803 50 0 IHAARN CCCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2[nH]c1=O ZINC000096321563 569394145 /nfs/dbraw/zinc/39/41/45/569394145.db2.gz VLRBYDCKJORFFU-QGZVFWFLSA-N 0 0 431.496 3.927 50 0 IHAARN O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCc1cccs1 ZINC000096322433 569394573 /nfs/dbraw/zinc/39/45/73/569394573.db2.gz ZENSMBOFGJDYOF-UHFFFAOYSA-N 0 0 434.500 3.536 50 0 IHAARN Cc1ccc2c(c1)OC[C@H](CC(=O)N1CCC3(CC1)OCCO3)N2Cc1ccc(F)cc1 ZINC000096323013 569394982 /nfs/dbraw/zinc/39/49/82/569394982.db2.gz BPNLIWLYCMGCAC-NRFANRHFSA-N 0 0 440.515 3.657 50 0 IHAARN Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000096331411 569396283 /nfs/dbraw/zinc/39/62/83/569396283.db2.gz QAIWNYUHZFOCID-UHFFFAOYSA-N 0 0 425.492 3.754 50 0 IHAARN CCOc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4ccccc4F)no3)nn2C)C1 ZINC000096331483 569396430 /nfs/dbraw/zinc/39/64/30/569396430.db2.gz VCUZALBQAGWGBJ-UHFFFAOYSA-N 0 0 447.470 3.873 50 0 IHAARN COc1cc(C[C@@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)c(OC)c2c1OCO2 ZINC000096335741 569396669 /nfs/dbraw/zinc/39/66/69/569396669.db2.gz SPXBHZMRXQYNLP-CYBMUJFWSA-N 0 0 441.509 3.977 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096370686 569397851 /nfs/dbraw/zinc/39/78/51/569397851.db2.gz UOHBJKPBLZYDBO-MRXNPFEDSA-N 0 0 433.835 3.927 50 0 IHAARN COc1ccc(S(=O)(=O)C2CN(C(=O)CC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000096378069 569398244 /nfs/dbraw/zinc/39/82/44/569398244.db2.gz FKAKJHIKDCMOER-UHFFFAOYSA-N 0 0 435.545 3.902 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c(OC)c1 ZINC000096386950 569398764 /nfs/dbraw/zinc/39/87/64/569398764.db2.gz KZQKUOWASBWUIS-OAQYLSRUSA-N 0 0 431.492 3.815 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1OC ZINC000096386916 569398780 /nfs/dbraw/zinc/39/87/80/569398780.db2.gz KOPBDZWOMYBKAA-HXUWFJFHSA-N 0 0 431.492 3.815 50 0 IHAARN Cc1oc(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096396973 569399241 /nfs/dbraw/zinc/39/92/41/569399241.db2.gz YIXPXHHRKMTGGR-UHFFFAOYSA-N 0 0 425.529 3.599 50 0 IHAARN C[C@@H]1CC(=O)NN=C1c1ccc(N2CCN(C(=O)Cc3cccc4ccccc43)CC2)cc1 ZINC000096563983 569401247 /nfs/dbraw/zinc/40/12/47/569401247.db2.gz AHEOTCJREIQMDV-LJQANCHMSA-N 0 0 440.547 3.591 50 0 IHAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000096936861 569402672 /nfs/dbraw/zinc/40/26/72/569402672.db2.gz KHJVETYPJQBJNA-HSZRJFAPSA-N 0 0 435.499 3.663 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 ZINC000002459476 569403466 /nfs/dbraw/zinc/40/34/66/569403466.db2.gz BGAPBUZLYPCUPX-HNNXBMFYSA-N 0 0 433.574 3.903 50 0 IHAARN O=C(NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000002474705 569404421 /nfs/dbraw/zinc/40/44/21/569404421.db2.gz HWDOYMMZNYAHKL-SUMWQHHRSA-N 0 0 434.374 3.795 50 0 IHAARN Cc1nc2ccccn2c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561989 569404511 /nfs/dbraw/zinc/40/45/11/569404511.db2.gz QWDMIKMIDBVAMZ-UHFFFAOYSA-N 0 0 446.486 3.777 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(C3CC3)nn2C)CC1 ZINC000225569561 569404613 /nfs/dbraw/zinc/40/46/13/569404613.db2.gz DIIFLASCZAXBQA-UHFFFAOYSA-N 0 0 425.920 3.877 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498769 569405669 /nfs/dbraw/zinc/40/56/69/569405669.db2.gz TWIMUFAFHLVCAG-JSGCOSHPSA-N 0 0 449.436 3.606 50 0 IHAARN O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cccc(Br)c1 ZINC000225724722 569407569 /nfs/dbraw/zinc/40/75/69/569407569.db2.gz SEDKEIQVSDOBIE-UHFFFAOYSA-N 0 0 429.240 3.657 50 0 IHAARN O=C(NCc1cccnc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225647134 569406311 /nfs/dbraw/zinc/40/63/11/569406311.db2.gz CMPJFTICZYPJNP-UHFFFAOYSA-N 0 0 427.551 3.525 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc(C(F)(F)F)n1 ZINC000225732166 569407697 /nfs/dbraw/zinc/40/76/97/569407697.db2.gz LFOOTOVLKYZEBW-UHFFFAOYSA-N 0 0 433.459 3.890 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000225738324 569407784 /nfs/dbraw/zinc/40/77/84/569407784.db2.gz TXRNHOOBDZRULX-UHFFFAOYSA-N 0 0 436.585 3.618 50 0 IHAARN O=C(Cc1cccc2ccccc21)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225819976 569409073 /nfs/dbraw/zinc/40/90/73/569409073.db2.gz BUJJNFVGMIOOGO-UHFFFAOYSA-N 0 0 427.504 3.842 50 0 IHAARN CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000028228493 569409230 /nfs/dbraw/zinc/40/92/30/569409230.db2.gz BNWWNXUQMRBMQY-APWZRJJASA-N 0 0 439.936 3.852 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000028228573 569409259 /nfs/dbraw/zinc/40/92/59/569409259.db2.gz WUKUQZINIBFXAP-UTKZUKDTSA-N 0 0 441.524 3.962 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O ZINC000002630836 569412367 /nfs/dbraw/zinc/41/23/67/569412367.db2.gz ZOQOAIPUUVURJI-IBVKSMDESA-N 0 0 433.552 3.759 50 0 IHAARN CCCn1c(SCC(=O)NCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000002632351 569412547 /nfs/dbraw/zinc/41/25/47/569412547.db2.gz XGHLAAOTUDPKRL-UHFFFAOYSA-N 0 0 427.595 3.808 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCCc1ccccc1 ZINC000002632169 569412549 /nfs/dbraw/zinc/41/25/49/569412549.db2.gz XAQROWNZDMMKFB-UHFFFAOYSA-N 0 0 429.545 3.896 50 0 IHAARN CCOC(=O)c1[nH]c(CSc2nnc(-c3ccccc3)n2C)c(C(=O)OCC)c1C ZINC000002636575 569413030 /nfs/dbraw/zinc/41/30/30/569413030.db2.gz LYUBRXGKSWHABM-UHFFFAOYSA-N 0 0 428.514 3.764 50 0 IHAARN COC(=O)c1sc2[nH]c(CSc3nnc(Nc4ccccc4)s3)nc(=O)c2c1C ZINC000002644265 569414067 /nfs/dbraw/zinc/41/40/67/569414067.db2.gz DFTSVAGYJIRJKV-UHFFFAOYSA-N 0 0 445.551 3.967 50 0 IHAARN CCn1nc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c2ccccc2c1=O ZINC000002664484 569416501 /nfs/dbraw/zinc/41/65/01/569416501.db2.gz ZESJUYJSFYCXGA-UHFFFAOYSA-N 0 0 436.493 3.809 50 0 IHAARN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000230032751 569418224 /nfs/dbraw/zinc/41/82/24/569418224.db2.gz ORAGLOOZRWYGIC-FXSPECFOSA-N 0 0 427.479 3.888 50 0 IHAARN CCn1cc(-c2ccnc(SCC(=O)N[C@@H](C)c3cc(OC)ccc3OC)n2)c(C)n1 ZINC000002730917 569419220 /nfs/dbraw/zinc/41/92/20/569419220.db2.gz CQKQEYNOFDUXDS-AWEZNQCLSA-N 0 0 441.557 3.655 50 0 IHAARN Cc1cc2[nH]c(=O)cc(CSc3nccc(-c4ccc(Br)cc4)n3)n2n1 ZINC000002730940 569419240 /nfs/dbraw/zinc/41/92/40/569419240.db2.gz SSPYANWYCRNEKW-UHFFFAOYSA-N 0 0 428.315 3.843 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000002770452 569420953 /nfs/dbraw/zinc/42/09/53/569420953.db2.gz LJVUMCCCSPFCQG-HSZRJFAPSA-N 0 0 446.478 3.851 50 0 IHAARN Cc1ccc(C)c(OCc2ccc(C3N=NC(=S)N3CCCN3CCOCC3)o2)c1 ZINC000002793086 569421864 /nfs/dbraw/zinc/42/18/64/569421864.db2.gz DVXKKLICGUUQIU-UHFFFAOYSA-N 0 0 428.558 3.745 50 0 IHAARN COC(=O)c1cc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)cc(C(=O)OC)c1 ZINC000002794250 569422081 /nfs/dbraw/zinc/42/20/81/569422081.db2.gz DAMXOICCGMOADI-UHFFFAOYSA-N 0 0 441.818 3.563 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000002805379 569422653 /nfs/dbraw/zinc/42/26/53/569422653.db2.gz DZSFZUWYVXDTSJ-UHFFFAOYSA-N 0 0 441.841 3.917 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)NCc1ccco1 ZINC000002908969 569424749 /nfs/dbraw/zinc/42/47/49/569424749.db2.gz QFTRGYUZGPNNNI-UHFFFAOYSA-N 0 0 429.498 3.647 50 0 IHAARN O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000002939724 569426527 /nfs/dbraw/zinc/42/65/27/569426527.db2.gz NQAPESVNHQMIKT-RMKNXTFCSA-N 0 0 425.337 3.540 50 0 IHAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3ccccc3OC)c3ccccc3c2=O)c1 ZINC000002943039 569426818 /nfs/dbraw/zinc/42/68/18/569426818.db2.gz JSOWVPINKMOPHQ-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945188 569428041 /nfs/dbraw/zinc/42/80/41/569428041.db2.gz GLWYKFIBVPVDOM-JOCHJYFZSA-N 0 0 439.943 3.992 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C ZINC000029239075 569429245 /nfs/dbraw/zinc/42/92/45/569429245.db2.gz LPLADOACIFQCDY-HNNXBMFYSA-N 0 0 428.476 3.868 50 0 IHAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000029363003 569429932 /nfs/dbraw/zinc/42/99/32/569429932.db2.gz NLQMIVXPSRNTKA-JOCHJYFZSA-N 0 0 433.596 3.631 50 0 IHAARN CCOC(=O)c1ccc(Oc2coc3c(ccc4c3CN(CCOC)CO4)c2=O)cc1 ZINC000057172565 569429935 /nfs/dbraw/zinc/42/99/35/569429935.db2.gz VDENTSPBHMEHAC-UHFFFAOYSA-N 0 0 425.437 3.560 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(O)cc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000057303514 569430599 /nfs/dbraw/zinc/43/05/99/569430599.db2.gz LCGZROCPIZRCPD-DEOSSOPVSA-N 0 0 444.535 3.794 50 0 IHAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057347413 569431314 /nfs/dbraw/zinc/43/13/14/569431314.db2.gz AJUJNKFROKFARE-UHFFFAOYSA-N 0 0 440.975 3.773 50 0 IHAARN C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000227152841 569431791 /nfs/dbraw/zinc/43/17/91/569431791.db2.gz GFHQYCAGSZAHNX-MRXNPFEDSA-N 0 0 426.904 3.768 50 0 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CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000031127351 569453776 /nfs/dbraw/zinc/45/37/76/569453776.db2.gz HHRUQQLPXYMTGL-NVXWUHKLSA-N 0 0 427.526 3.679 50 0 IHAARN CCN(CC(=O)Nc1ccnn1Cc1cccc(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000031174652 569454349 /nfs/dbraw/zinc/45/43/49/569454349.db2.gz QGJOVGVZYUYYPQ-IBGZPJMESA-N 0 0 440.931 3.685 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000031176217 569454424 /nfs/dbraw/zinc/45/44/24/569454424.db2.gz XFYLTJFLZHQRQZ-UHFFFAOYSA-N 0 0 427.508 3.954 50 0 IHAARN CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000003593241 569454582 /nfs/dbraw/zinc/45/45/82/569454582.db2.gz MKWVAGNIJYIDBV-NRFANRHFSA-N 0 0 444.329 3.658 50 0 IHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3[nH]c2=S)c1 ZINC000003630136 569455220 /nfs/dbraw/zinc/45/52/20/569455220.db2.gz DFRIPNRILIMHJY-UHFFFAOYSA-N 0 0 439.537 3.754 50 0 IHAARN CCc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653973 569455760 /nfs/dbraw/zinc/45/57/60/569455760.db2.gz ZXHDTJBVYNMNIA-UHFFFAOYSA-N 0 0 440.502 3.848 50 0 IHAARN CCCc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)cc2)[nH]1 ZINC000670449188 569455918 /nfs/dbraw/zinc/45/59/18/569455918.db2.gz ASIQUPZQESYMLE-OAQYLSRUSA-N 0 0 436.531 3.652 50 0 IHAARN NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 ZINC000031398282 569456313 /nfs/dbraw/zinc/45/63/13/569456313.db2.gz QEWZMNMLLGGEFW-UHFFFAOYSA-N 0 0 428.485 3.623 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnnn2C2CCCC2)cs1 ZINC000031627191 569456913 /nfs/dbraw/zinc/45/69/13/569456913.db2.gz NTELDDPHBMQOMX-UHFFFAOYSA-N 0 0 426.571 3.902 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000031808111 569457626 /nfs/dbraw/zinc/45/76/26/569457626.db2.gz OXDJFLLMKIHOAP-OAHLLOKOSA-N 0 0 446.323 3.929 50 0 IHAARN O=C(Nc1ccccc1C(=O)c1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032087555 569459459 /nfs/dbraw/zinc/45/94/59/569459459.db2.gz RJSSRVSBNCEYEF-UHFFFAOYSA-N 0 0 433.485 3.670 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CC1=C[C@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@H](C)C1 ZINC000004201047 569460932 /nfs/dbraw/zinc/46/09/32/569460932.db2.gz ZHWAMRJQVFCPPU-FCHUYYIVSA-N 0 0 434.621 3.653 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000032280617 569461038 /nfs/dbraw/zinc/46/10/38/569461038.db2.gz NGEBVEIJRKAOLO-UHFFFAOYSA-N 0 0 449.345 3.703 50 0 IHAARN CCOc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(-c2ccccc2)c1OC ZINC000032297480 569461122 /nfs/dbraw/zinc/46/11/22/569461122.db2.gz UYOMLRJTDLRRAZ-RTBURBONSA-N 0 0 426.557 3.990 50 0 IHAARN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)cc1 ZINC000032456712 569461772 /nfs/dbraw/zinc/46/17/72/569461772.db2.gz HKNYFMBVQXBIGC-NHCUHLMSSA-N 0 0 425.529 3.602 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C3CCCC3)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000066343228 569462052 /nfs/dbraw/zinc/46/20/52/569462052.db2.gz JQMKOQDVCWCSJX-UHFFFAOYSA-N 0 0 443.613 3.880 50 0 IHAARN COc1cc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc(OC)c1OC 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ZINC000038739463 569468405 /nfs/dbraw/zinc/46/84/05/569468405.db2.gz PSZZVEWFKDLPNZ-CMDGGOBGSA-N 0 0 431.568 3.940 50 0 IHAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)cc1 ZINC000067341522 569469037 /nfs/dbraw/zinc/46/90/37/569469037.db2.gz IMNMIDQSAWVCRP-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(Cl)c(F)c1)CC3 ZINC000067349970 569469049 /nfs/dbraw/zinc/46/90/49/569469049.db2.gz CDFCZVNXFGCZPF-UHFFFAOYSA-N 0 0 429.879 3.634 50 0 IHAARN COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)c1 ZINC000067341510 569469080 /nfs/dbraw/zinc/46/90/80/569469080.db2.gz MSVNYJWFAMAXSG-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN CC(C)CN(CC(C)C)C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000008629669 569469484 /nfs/dbraw/zinc/46/94/84/569469484.db2.gz COEVJPKSBYTIIB-UHFFFAOYSA-N 0 0 438.977 3.968 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(C)o1)[C@H]1c3ccccc3CCN1C2=O ZINC000008661701 569469836 /nfs/dbraw/zinc/46/98/36/569469836.db2.gz QPWHPPARJUBKRV-BJKOFHAPSA-N 0 0 446.503 3.758 50 0 IHAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008668271 569469962 /nfs/dbraw/zinc/46/99/62/569469962.db2.gz DKHUDBAVOSDBSR-UHFFFAOYSA-N 0 0 440.411 3.555 50 0 IHAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000008705630 569470413 /nfs/dbraw/zinc/47/04/13/569470413.db2.gz MKQONQJRDMNBOM-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)n1C[C@@H]1CCCO1 ZINC000008713708 569471061 /nfs/dbraw/zinc/47/10/61/569471061.db2.gz UZHBCLZOZGECHE-RDJZCZTQSA-N 0 0 442.537 3.756 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC000008721216 569471702 /nfs/dbraw/zinc/47/17/02/569471702.db2.gz DENQTZYNBNFXJT-QGZVFWFLSA-N 0 0 439.589 3.646 50 0 IHAARN O=C(CSc1nccn1-c1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008724242 569471937 /nfs/dbraw/zinc/47/19/37/569471937.db2.gz UQLRYAIJQZPPNG-UHFFFAOYSA-N 0 0 438.528 3.981 50 0 IHAARN O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCO3)nc1)N1CCCCC1 ZINC000008724615 569472014 /nfs/dbraw/zinc/47/20/14/569472014.db2.gz XCSXPAJOHBAZQR-UHFFFAOYSA-N 0 0 440.974 3.973 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc12 ZINC000008726326 569472259 /nfs/dbraw/zinc/47/22/59/569472259.db2.gz HPIOKCCKHTWCQF-LJQANCHMSA-N 0 0 434.496 3.587 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 ZINC000008726161 569472279 /nfs/dbraw/zinc/47/22/79/569472279.db2.gz FYQOCTMMYQWVIC-HRAATJIYSA-N 0 0 430.508 3.950 50 0 IHAARN COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@H]3C2)c(OC)c1 ZINC000008748910 569473242 /nfs/dbraw/zinc/47/32/42/569473242.db2.gz HARNOLVNZSGSSF-GOHWNWGWSA-N 0 0 434.536 3.829 50 0 IHAARN O=C(CNC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000008749410 569473259 /nfs/dbraw/zinc/47/32/59/569473259.db2.gz KZWRXGBONYSLJE-UHFFFAOYSA-N 0 0 427.382 3.725 50 0 IHAARN O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000008752790 569473640 /nfs/dbraw/zinc/47/36/40/569473640.db2.gz CEVZDIRTDHNRBY-UHFFFAOYSA-N 0 0 430.537 3.909 50 0 IHAARN COC(=O)c1sccc1-n1cccc1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000008762393 569474315 /nfs/dbraw/zinc/47/43/15/569474315.db2.gz SVCGSBUODPUKCC-UHFFFAOYSA-N 0 0 433.283 3.909 50 0 IHAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000008763854 569474512 /nfs/dbraw/zinc/47/45/12/569474512.db2.gz IMWJWQJTNLGXRJ-HNNXBMFYSA-N 0 0 435.567 3.918 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cccc2ccccc21 ZINC000008771004 569475161 /nfs/dbraw/zinc/47/51/61/569475161.db2.gz BMUNLFIZXPIRBM-IZHWHUGBSA-N 0 0 433.533 3.862 50 0 IHAARN COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)c1 ZINC000008790500 569476107 /nfs/dbraw/zinc/47/61/07/569476107.db2.gz KOFOWMIBACIJHV-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4cccnc4)ccc32)cc1 ZINC000008792018 569476347 /nfs/dbraw/zinc/47/63/47/569476347.db2.gz SZVUOLQBVMJPHP-INIZCTEOSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN Cc1nc2cc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)ccc2n1-c1ccccc1 ZINC000008824146 569477197 /nfs/dbraw/zinc/47/71/97/569477197.db2.gz QMSRYPHZVVNNHU-UHFFFAOYSA-N 0 0 441.443 3.705 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC(=O)O[C@H](Cn3c4ccccc4c4ccccc43)C2)cc1 ZINC000008844670 569478677 /nfs/dbraw/zinc/47/86/77/569478677.db2.gz ZXYJHKWJTUNXSW-SFHVURJKSA-N 0 0 434.517 3.719 50 0 IHAARN COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O ZINC000008845715 569478934 /nfs/dbraw/zinc/47/89/34/569478934.db2.gz MDMGNCYTMFNHDL-DEOSSOPVSA-N 0 0 442.475 3.945 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCCC(C)C)cs2)cc1 ZINC000008850399 569479328 /nfs/dbraw/zinc/47/93/28/569479328.db2.gz ORLIFNBTCJTSIP-UHFFFAOYSA-N 0 0 434.587 3.537 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000008855984 569479705 /nfs/dbraw/zinc/47/97/05/569479705.db2.gz SSZDZISJNQCJMK-NSHDSACASA-N 0 0 447.340 3.658 50 0 IHAARN COc1c(Cl)cc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008867995 569480323 /nfs/dbraw/zinc/48/03/23/569480323.db2.gz VSGYWYJWWCYDQU-OAHLLOKOSA-N 0 0 446.327 3.971 50 0 IHAARN COc1c(Cl)cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008867998 569480347 /nfs/dbraw/zinc/48/03/47/569480347.db2.gz VSGYWYJWWCYDQU-HNNXBMFYSA-N 0 0 446.327 3.971 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)c2c1 ZINC000008877866 569481234 /nfs/dbraw/zinc/48/12/34/569481234.db2.gz LJXDWRRZYFTOIV-UHFFFAOYSA-N 0 0 432.476 3.509 50 0 biogenic IHAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000008879064 569481336 /nfs/dbraw/zinc/48/13/36/569481336.db2.gz PUEAYAJCKGLVDV-UHFFFAOYSA-N 0 0 448.529 3.641 50 0 IHAARN Cc1nc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[nH]2)nc2ccccc12 ZINC000039403995 569481601 /nfs/dbraw/zinc/48/16/01/569481601.db2.gz ZDFUFHJTORDUGN-UHFFFAOYSA-N 0 0 428.500 3.521 50 0 IHAARN CCN1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000039844369 569481895 /nfs/dbraw/zinc/48/18/95/569481895.db2.gz LLLNKCKFWGFXMP-UHFFFAOYSA-N 0 0 429.517 3.764 50 0 IHAARN CCc1ccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)cc1 ZINC000039980612 569482250 /nfs/dbraw/zinc/48/22/50/569482250.db2.gz HGJPSBTUOBYFOK-HXUWFJFHSA-N 0 0 434.608 3.898 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)C[S@@](=O)C3)c(C)c1 ZINC000008884919 569483165 /nfs/dbraw/zinc/48/31/65/569483165.db2.gz IGBPLLNEIKFGEC-SANMLTNESA-N 0 0 434.315 3.859 50 0 IHAARN CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1)C(C)C ZINC000008885179 569483243 /nfs/dbraw/zinc/48/32/43/569483243.db2.gz CVZIUZSESQPFTM-HSZRJFAPSA-N 0 0 442.947 3.980 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008890617 569483272 /nfs/dbraw/zinc/48/32/72/569483272.db2.gz BDMKSAKDDQRWGD-DNOBIOAJSA-N 0 0 439.515 3.924 50 0 IHAARN CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2s1 ZINC000040040113 569483369 /nfs/dbraw/zinc/48/33/69/569483369.db2.gz ZUVBDMKPUATCCD-UHFFFAOYSA-N 0 0 429.567 3.676 50 0 IHAARN O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008893042 569483609 /nfs/dbraw/zinc/48/36/09/569483609.db2.gz ASONYOZKSDIUQE-UHFFFAOYSA-N 0 0 434.521 3.756 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008899045 569484049 /nfs/dbraw/zinc/48/40/49/569484049.db2.gz OKIGBDQCCCVDBI-UHFFFAOYSA-N 0 0 447.520 3.981 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3sc(C)nc3C)o1)CC2 ZINC000040050101 569484134 /nfs/dbraw/zinc/48/41/34/569484134.db2.gz JSKOWELJQRUEPY-UHFFFAOYSA-N 0 0 446.554 3.504 50 0 IHAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000040049925 569484177 /nfs/dbraw/zinc/48/41/77/569484177.db2.gz SDPHOWMCFIBMBJ-UHFFFAOYSA-N 0 0 442.515 3.628 50 0 IHAARN NC(=O)c1ccc(CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000040059784 569484796 /nfs/dbraw/zinc/48/47/96/569484796.db2.gz INZMFWUEGJWOBB-UHFFFAOYSA-N 0 0 427.353 3.531 50 0 IHAARN O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000008910162 569484825 /nfs/dbraw/zinc/48/48/25/569484825.db2.gz NAVOMYKKMGFCGG-UHFFFAOYSA-N 0 0 429.929 3.916 50 0 IHAARN CCOc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000008911619 569484925 /nfs/dbraw/zinc/48/49/25/569484925.db2.gz CYNMNGSYFGNFBX-UHFFFAOYSA-N 0 0 442.537 3.588 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 ZINC000008912176 569484955 /nfs/dbraw/zinc/48/49/55/569484955.db2.gz SEMUEMRMSFHJQB-INIZCTEOSA-N 0 0 446.617 3.775 50 0 IHAARN COc1ccc(NC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)cc1OC ZINC000008912636 569485055 /nfs/dbraw/zinc/48/50/55/569485055.db2.gz KXOUZARQBVGJTB-UHFFFAOYSA-N 0 0 441.557 3.818 50 0 IHAARN CCOc1ccc(-c2noc(CCC(=O)NC3(c4noc(C)n4)CCCCC3)n2)cc1 ZINC000040069742 569485411 /nfs/dbraw/zinc/48/54/11/569485411.db2.gz CJUVLGMYNRSYND-UHFFFAOYSA-N 0 0 425.489 3.735 50 0 IHAARN COc1cc(OC)c(NC(=O)c2cn(-c3ccccc3Br)nn2)cc1Cl ZINC000040073571 569486171 /nfs/dbraw/zinc/48/61/71/569486171.db2.gz JBGWRSXMGADGAR-UHFFFAOYSA-N 0 0 437.681 3.953 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)Cc3ccccc3)C2=O)cc1OC ZINC000008920308 569486479 /nfs/dbraw/zinc/48/64/79/569486479.db2.gz KUDKCMXABDXPCJ-SANMLTNESA-N 0 0 431.488 3.640 50 0 IHAARN Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)[C@H](c3ccccc3)CC2=O)c1 ZINC000008931821 569487597 /nfs/dbraw/zinc/48/75/97/569487597.db2.gz PDZUQDHQZBMMDV-QFIPXVFZSA-N 0 0 434.517 3.885 50 0 IHAARN CC1=CN2C(=O)[C@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)N=C2C=C1 ZINC000008931983 569487607 /nfs/dbraw/zinc/48/76/07/569487607.db2.gz AEKBSOMGLXVVPL-QFIPXVFZSA-N 0 0 436.309 3.832 50 0 IHAARN CC1CCN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 ZINC000008933681 569487851 /nfs/dbraw/zinc/48/78/51/569487851.db2.gz FVVYCWIZQXUGEZ-UHFFFAOYSA-N 0 0 445.567 3.774 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008940578 569488368 /nfs/dbraw/zinc/48/83/68/569488368.db2.gz HKBKGSUYXXSQPR-UHFFFAOYSA-N 0 0 438.479 3.819 50 0 IHAARN O=C(Nc1ccc(OCc2cccs2)cc1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040106862 569488425 /nfs/dbraw/zinc/48/84/25/569488425.db2.gz WMHPEPMMTYDWKT-UHFFFAOYSA-N 0 0 432.523 3.957 50 0 IHAARN CN1CCN(C(=O)c2ccc(CNC(=O)c3ccccc3Oc3ccccc3)cc2)CC1 ZINC000040111492 569488847 /nfs/dbraw/zinc/48/88/47/569488847.db2.gz MRYUIQDTTGDKGF-UHFFFAOYSA-N 0 0 429.520 3.797 50 0 IHAARN CC(C)(CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000040113452 569489020 /nfs/dbraw/zinc/48/90/20/569489020.db2.gz UICWOGJHVGLYIF-UHFFFAOYSA-N 0 0 428.330 3.712 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)ccc1C ZINC000040117580 569489271 /nfs/dbraw/zinc/48/92/71/569489271.db2.gz DPDSFPPHRSTSEY-UHFFFAOYSA-N 0 0 449.598 3.889 50 0 IHAARN Cc1noc2ncc(C(=O)N[C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc12 ZINC000040121247 569489536 /nfs/dbraw/zinc/48/95/36/569489536.db2.gz MADKLNOKUMKAPZ-KRWDZBQOSA-N 0 0 432.402 3.644 50 0 IHAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)c1nnnn1-c1ccccc1 ZINC000040127304 569489696 /nfs/dbraw/zinc/48/96/96/569489696.db2.gz MBPYHPFBQWYNCV-ZDUSSCGKSA-N 0 0 427.921 3.877 50 0 IHAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)Nc1ccc3c(c1)OCCO3)c2=O ZINC000008955112 569490130 /nfs/dbraw/zinc/49/01/30/569490130.db2.gz XAFWYSFCIAVUMY-UHFFFAOYSA-N 0 0 448.504 3.547 50 0 IHAARN CCc1ccc(-c2nn(CC(=O)NCc3ccc(F)cc3)c(=O)c3nc(C)sc32)cc1 ZINC000008956080 569490263 /nfs/dbraw/zinc/49/02/63/569490263.db2.gz PWAQQDOTWIPXIL-UHFFFAOYSA-N 0 0 436.512 3.846 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)CC2)c1 ZINC000040133843 569490461 /nfs/dbraw/zinc/49/04/61/569490461.db2.gz DVNQYQOPIQXDOK-JJEOQYAHSA-N 0 0 428.573 3.983 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc1O2 ZINC000008961290 569490974 /nfs/dbraw/zinc/49/09/74/569490974.db2.gz YRSWXUYMHQRLMI-UHFFFAOYSA-N 0 0 438.461 3.925 50 0 IHAARN CC(=O)[C@@H]1[C@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000008964542 569491291 /nfs/dbraw/zinc/49/12/91/569491291.db2.gz CCMDLTKZCCBGQJ-ZOJNDGCKSA-N 0 0 435.483 3.644 50 0 biogenic IHAARN CC(C)CN(C(=O)CCc1ccc(C(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040140613 569491616 /nfs/dbraw/zinc/49/16/16/569491616.db2.gz DNNOIUBHPDSRMA-UHFFFAOYSA-N 0 0 428.577 3.520 50 0 IHAARN COC(=O)COc1cc(C(=O)Oc2ccc3c(c2)oc(=O)cc3C(C)C)ccc1OC ZINC000040140665 569491631 /nfs/dbraw/zinc/49/16/31/569491631.db2.gz MYJUWZUCHKRROX-UHFFFAOYSA-N 0 0 426.421 3.696 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)CCC5)C3=O)ccc2c1 ZINC000008966189 569491728 /nfs/dbraw/zinc/49/17/28/569491728.db2.gz UIHSIQDWBBBYHT-AREMUKBSSA-N 0 0 443.503 3.743 50 0 IHAARN O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1nc(N2CCCC2)ncc1Cl ZINC000040142069 569491853 /nfs/dbraw/zinc/49/18/53/569491853.db2.gz VUBUXXWRZRFDTN-UHFFFAOYSA-N 0 0 441.963 3.676 50 0 IHAARN Cc1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000040145705 569492132 /nfs/dbraw/zinc/49/21/32/569492132.db2.gz BDEBTDHCLROMMI-FQEVSTJZSA-N 0 0 447.605 3.603 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000040145925 569492240 /nfs/dbraw/zinc/49/22/40/569492240.db2.gz KNFCHVNMQPUOIT-IBGZPJMESA-N 0 0 433.512 3.640 50 0 IHAARN O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000040149011 569492423 /nfs/dbraw/zinc/49/24/23/569492423.db2.gz GDDMNDWHACXHMG-MRXNPFEDSA-N 0 0 441.313 3.736 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000040149601 569492582 /nfs/dbraw/zinc/49/25/82/569492582.db2.gz QLGWAPUBAPOOOM-INIZCTEOSA-N 0 0 445.361 3.750 50 0 IHAARN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000040151526 569493271 /nfs/dbraw/zinc/49/32/71/569493271.db2.gz SRFQEKHZZSRQOZ-UHFFFAOYSA-N 0 0 429.563 3.890 50 0 IHAARN CNC(=O)[C@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccccc1 ZINC000040151935 569493329 /nfs/dbraw/zinc/49/33/29/569493329.db2.gz FTJDABOZJGYEGV-GOSISDBHSA-N 0 0 429.929 3.901 50 0 IHAARN C/C(=C/C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000040156656 569494182 /nfs/dbraw/zinc/49/41/82/569494182.db2.gz UUHCUZPYJHAGKS-VLGSPTGOSA-N 0 0 448.567 3.747 50 0 IHAARN COc1ccc(-c2nc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)cs2)cc1 ZINC000040156863 569494202 /nfs/dbraw/zinc/49/42/02/569494202.db2.gz MCWYLYDYUPJZEJ-JOCHJYFZSA-N 0 0 437.565 3.930 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000040157296 569494277 /nfs/dbraw/zinc/49/42/77/569494277.db2.gz AFODFMLROQWZGU-HSZRJFAPSA-N 0 0 426.538 3.705 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000040157365 569494312 /nfs/dbraw/zinc/49/43/12/569494312.db2.gz QTPGZRHNEAWCKQ-XLIONFOSSA-N 0 0 448.544 3.610 50 0 IHAARN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000040157466 569494325 /nfs/dbraw/zinc/49/43/25/569494325.db2.gz BRUIPSCXXPPRHE-SFHVURJKSA-N 0 0 425.485 3.996 50 0 IHAARN Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000008982688 569494501 /nfs/dbraw/zinc/49/45/01/569494501.db2.gz DHPHWYISNOYFOX-LJQANCHMSA-N 0 0 440.931 3.744 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c(N)c1[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000008986675 569494844 /nfs/dbraw/zinc/49/48/44/569494844.db2.gz QJVPUVGMDVEWOJ-GOSISDBHSA-N 0 0 434.447 3.578 50 0 IHAARN O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N[C@@H]1CCCc2ccccc21 ZINC000040160622 569495103 /nfs/dbraw/zinc/49/51/03/569495103.db2.gz SXRWYPFCKAYQES-HSZRJFAPSA-N 0 0 441.597 3.857 50 0 IHAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccc2c(c1)OCO2 ZINC000040227642 569496541 /nfs/dbraw/zinc/49/65/41/569496541.db2.gz NXHNTXSLOWWVAL-UHFFFAOYSA-N 0 0 437.399 3.893 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc(OC)c1OC ZINC000009036264 569497334 /nfs/dbraw/zinc/49/73/34/569497334.db2.gz PZUCMZIQFVMUCV-UHFFFAOYSA-N 0 0 436.464 3.756 50 0 IHAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000040268611 569497502 /nfs/dbraw/zinc/49/75/02/569497502.db2.gz ATGWAHWFXGRSNS-LJQANCHMSA-N 0 0 449.349 3.563 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000009041113 569497616 /nfs/dbraw/zinc/49/76/16/569497616.db2.gz YTLMLAKKQFXIFB-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN Fc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn32)cc1Br ZINC000040285463 569498068 /nfs/dbraw/zinc/49/80/68/569498068.db2.gz WEMNTXRFCDXDOP-UHFFFAOYSA-N 0 0 444.087 3.907 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000040285734 569498090 /nfs/dbraw/zinc/49/80/90/569498090.db2.gz GPQIVXSPNCUELF-CYBMUJFWSA-N 0 0 438.289 3.813 50 0 IHAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)c(C(C)C)c1 ZINC000245187639 569498306 /nfs/dbraw/zinc/49/83/06/569498306.db2.gz ZRSGYAYEYBVRIT-UHFFFAOYSA-N 0 0 449.617 3.762 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000009047341 569498493 /nfs/dbraw/zinc/49/84/93/569498493.db2.gz RJMCWFKUAWYNLG-IBGZPJMESA-N 0 0 442.878 3.842 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009060591 569499507 /nfs/dbraw/zinc/49/95/07/569499507.db2.gz QCNYTURJSKHHGX-LJQANCHMSA-N 0 0 439.493 3.651 50 0 IHAARN COc1ccc(-n2ncc3c2nc(C)nc3NC2CCC(NC(=O)c3ccco3)CC2)cc1 ZINC000040355111 569499749 /nfs/dbraw/zinc/49/97/49/569499749.db2.gz KRVBXPVJNJSOJV-UHFFFAOYSA-N 0 0 446.511 3.879 50 0 IHAARN CC(C)N1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355811 569499868 /nfs/dbraw/zinc/49/98/68/569499868.db2.gz UMUJFEOIBSRBAL-UHFFFAOYSA-N 0 0 427.357 3.868 50 0 IHAARN CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccc(OCCC(C)C)cc1)[C@@H](C(C)=O)C(=O)OCC ZINC000245231256 569499986 /nfs/dbraw/zinc/49/99/86/569499986.db2.gz ACWPHFJHVAZJCZ-KOUNCHBCSA-N 0 0 434.529 3.732 50 0 biogenic IHAARN COc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)cc1OC ZINC000009071768 569500165 /nfs/dbraw/zinc/50/01/65/569500165.db2.gz VIIKUIXFLGGCRZ-UHFFFAOYSA-N 0 0 425.529 3.610 50 0 IHAARN Cc1nc2ccccc2n1CCCNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000069313731 569500561 /nfs/dbraw/zinc/50/05/61/569500561.db2.gz DPMVVKXHWGGJTG-UHFFFAOYSA-N 0 0 437.588 3.509 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)c1 ZINC000009106827 569501812 /nfs/dbraw/zinc/50/18/12/569501812.db2.gz PKVYADIBWMOIFX-LJQANCHMSA-N 0 0 435.592 3.858 50 0 IHAARN C[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000245283966 569502211 /nfs/dbraw/zinc/50/22/11/569502211.db2.gz PIUYPXUTSDKKIW-JENIJYKNSA-N 0 0 437.565 3.934 50 0 IHAARN COc1ccc(N(C(=O)CNC(C)=O)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1 ZINC000009113268 569502523 /nfs/dbraw/zinc/50/25/23/569502523.db2.gz CBFPPKQMSRPBKU-UHFFFAOYSA-N 0 0 437.540 3.814 50 0 IHAARN CCCCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009113605 569502602 /nfs/dbraw/zinc/50/26/02/569502602.db2.gz AZMMYLSMCZWXGL-NRFANRHFSA-N 0 0 437.565 3.969 50 0 IHAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCCc3cc(OC)ccc3OC)o2)cc1 ZINC000009115748 569502815 /nfs/dbraw/zinc/50/28/15/569502815.db2.gz DXUPSNGQFHCRGT-HKBQPEDESA-N 0 0 443.521 3.586 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000009115870 569502850 /nfs/dbraw/zinc/50/28/50/569502850.db2.gz RFXIERNTUISGJU-UHFFFAOYSA-N 0 0 430.480 3.614 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccccn5)CC4)sc3n2)cc1 ZINC000009117267 569503100 /nfs/dbraw/zinc/50/31/00/569503100.db2.gz YXLOGXLPXTYJRU-UHFFFAOYSA-N 0 0 432.553 3.694 50 0 IHAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1 ZINC000009118354 569503310 /nfs/dbraw/zinc/50/33/10/569503310.db2.gz RTNJGMPZKHQNRB-UHFFFAOYSA-N 0 0 437.565 3.848 50 0 IHAARN CCCOc1ccccc1NC(=O)[C@@H]1CC(=O)n2c(nnc2-c2ccc(OC)cc2)S1 ZINC000009119661 569503550 /nfs/dbraw/zinc/50/35/50/569503550.db2.gz NMODKKKXKDUSKH-SFHVURJKSA-N 0 0 438.509 3.886 50 0 IHAARN COC(=O)C1=C2N(C)c3ccccc3N2C(=O)N[C@@]1(c1ccc(OC)cc1)C(F)(F)F ZINC000009119801 569503656 /nfs/dbraw/zinc/50/36/56/569503656.db2.gz OQCANTKETHVMAQ-HXUWFJFHSA-N 0 0 433.386 3.517 50 0 IHAARN O=S(=O)(c1ccc(O)c(Nc2ncnc3sc4c(c32)CCCC4)c1)N1CCCC1 ZINC000009120593 569503920 /nfs/dbraw/zinc/50/39/20/569503920.db2.gz KOYJVTNAAWFCFB-UHFFFAOYSA-N 0 0 430.555 3.804 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009120632 569503999 /nfs/dbraw/zinc/50/39/99/569503999.db2.gz ANZGHVBMBVTUED-SFHVURJKSA-N 0 0 442.990 3.696 50 0 IHAARN COc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000009124455 569504359 /nfs/dbraw/zinc/50/43/59/569504359.db2.gz YPCRVRKMXATAPT-OAQYLSRUSA-N 0 0 427.888 3.680 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(Cl)cc12 ZINC000009124841 569504424 /nfs/dbraw/zinc/50/44/24/569504424.db2.gz AAXLOLKBEVJNNR-UHFFFAOYSA-N 0 0 449.290 3.884 50 0 IHAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O ZINC000009125168 569504580 /nfs/dbraw/zinc/50/45/80/569504580.db2.gz OMSFUPRVZNHDME-HXUWFJFHSA-N 0 0 436.295 3.798 50 0 IHAARN O=c1cc(CSc2nnc(Cc3ccccc3)o2)nc2ccc(Br)cn12 ZINC000009125797 569504702 /nfs/dbraw/zinc/50/47/02/569504702.db2.gz JPTNUEIVIKSIPK-UHFFFAOYSA-N 0 0 429.299 3.723 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCSc1ccc(Cl)cc1 ZINC000009126146 569504820 /nfs/dbraw/zinc/50/48/20/569504820.db2.gz WNVKUOYEMJZUGC-UHFFFAOYSA-N 0 0 432.954 3.910 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000009126291 569504896 /nfs/dbraw/zinc/50/48/96/569504896.db2.gz VSHPYLOJZLLYHP-IBGZPJMESA-N 0 0 434.539 3.707 50 0 IHAARN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000009128611 569505414 /nfs/dbraw/zinc/50/54/14/569505414.db2.gz HQSHNLTYSLOWIO-UHFFFAOYSA-N 0 0 439.493 3.728 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 ZINC000009129908 569505906 /nfs/dbraw/zinc/50/59/06/569505906.db2.gz DTRQURRXEMXZLL-MRXNPFEDSA-N 0 0 425.872 3.793 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000040454785 569506454 /nfs/dbraw/zinc/50/64/54/569506454.db2.gz HDBYQJWLQGDPMR-UHFFFAOYSA-N 0 0 449.989 3.857 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000040478473 569506764 /nfs/dbraw/zinc/50/67/64/569506764.db2.gz IKKLPVCSABJEPP-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN CCCCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)c(Cl)c1)c3=O ZINC000009150084 569507427 /nfs/dbraw/zinc/50/74/27/569507427.db2.gz FBTJLZPIRSGCMW-UHFFFAOYSA-N 0 0 434.327 3.613 50 0 IHAARN CC[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1ccccc1F ZINC000009152059 569507703 /nfs/dbraw/zinc/50/77/03/569507703.db2.gz DJQHJDYGVWCHHN-INIZCTEOSA-N 0 0 446.529 3.540 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 ZINC000009152834 569507868 /nfs/dbraw/zinc/50/78/68/569507868.db2.gz RFLVUUHVMNTXET-LSDHHAIUSA-N 0 0 432.567 3.927 50 0 IHAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c(C)c1 ZINC000009153189 569507991 /nfs/dbraw/zinc/50/79/91/569507991.db2.gz ZFGPUPQRSAOQIR-UHFFFAOYSA-N 0 0 435.505 3.604 50 0 IHAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)N2CCC(Cc3ccccc3)CC2)nc1N ZINC000009153529 569508066 /nfs/dbraw/zinc/50/80/66/569508066.db2.gz NFRAGXZCSZWZDR-IBGZPJMESA-N 0 0 442.585 3.588 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c21 ZINC000009153436 569508074 /nfs/dbraw/zinc/50/80/74/569508074.db2.gz HLRYUXIDIGDBDM-IBGZPJMESA-N 0 0 448.523 3.562 50 0 IHAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000009157447 569508413 /nfs/dbraw/zinc/50/84/13/569508413.db2.gz XIHLUVIJXLCEGN-MRXNPFEDSA-N 0 0 449.548 3.838 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C ZINC000009166423 569508870 /nfs/dbraw/zinc/50/88/70/569508870.db2.gz KAKNNKLRUGDGHZ-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN CCN1c2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009166434 569508954 /nfs/dbraw/zinc/50/89/54/569508954.db2.gz XVXJWVSUYSRVAN-UHFFFAOYSA-N 0 0 432.542 3.884 50 0 IHAARN Cc1csc(N(C(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)c2ccccc2)n1 ZINC000009167605 569508994 /nfs/dbraw/zinc/50/89/94/569508994.db2.gz FRUDVFHIAIQPMW-LJQANCHMSA-N 0 0 427.551 3.503 50 0 IHAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009166997 569509045 /nfs/dbraw/zinc/50/90/45/569509045.db2.gz ZXIWJIIKBGQNPH-UHFFFAOYSA-N 0 0 434.525 3.565 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009169002 569509155 /nfs/dbraw/zinc/50/91/55/569509155.db2.gz QXIZVUAJSXAVNR-UHFFFAOYSA-N 0 0 431.514 3.583 50 0 IHAARN CCCN1c2cc(NS(=O)(=O)c3ccc(OC)cc3C)ccc2OCC(C)(C)C1=O ZINC000009172160 569509504 /nfs/dbraw/zinc/50/95/04/569509504.db2.gz SIRKSEUAWPXWCK-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(CCO)C3=O)c(O)c1 ZINC000009184762 569509982 /nfs/dbraw/zinc/50/99/82/569509982.db2.gz FJXORGSGFOXJLU-FQEVSTJZSA-N 0 0 442.313 3.699 50 0 IHAARN O=C(CCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)Nc1ccc(F)cc1 ZINC000009186351 569510226 /nfs/dbraw/zinc/51/02/26/569510226.db2.gz DFWXAQBIPMRQDY-UHFFFAOYSA-N 0 0 441.459 3.580 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Cc4cccs4)cc3C2)cc1 ZINC000009203516 569511273 /nfs/dbraw/zinc/51/12/73/569511273.db2.gz HUXHVHLKOGDAFW-UHFFFAOYSA-N 0 0 426.563 3.985 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)COc4ccccc4)cc3C2)cc1 ZINC000009203353 569511287 /nfs/dbraw/zinc/51/12/87/569511287.db2.gz ODLOIJMYKXHSPZ-UHFFFAOYSA-N 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426.885 3.812 50 0 IHAARN COc1ccc(CCC(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 ZINC000009568951 569547519 /nfs/dbraw/zinc/54/75/19/569547519.db2.gz KOLSTHFQQLCXKA-UHFFFAOYSA-N 0 0 436.537 3.767 50 0 IHAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 ZINC000009569011 569547563 /nfs/dbraw/zinc/54/75/63/569547563.db2.gz XEUOGVQFMTUHQJ-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009575790 569548005 /nfs/dbraw/zinc/54/80/05/569548005.db2.gz UILSJWOVDYCNOP-GOSISDBHSA-N 0 0 442.459 3.896 50 0 IHAARN CC(C)N1c2ccccc2/C(=C2\CC(=O)N(c3cccc(Br)c3)C2=O)C1=O ZINC000009577011 569548161 /nfs/dbraw/zinc/54/81/61/569548161.db2.gz AUIGVSZGHDSJLC-MNDPQUGUSA-N 0 0 425.282 3.921 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O ZINC000009579731 569548604 /nfs/dbraw/zinc/54/86/04/569548604.db2.gz WCIGQJOUYMYJNV-UPCLLVRISA-N 0 0 439.487 3.735 50 0 IHAARN COc1cc([C@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)ccc1OC(C)=O ZINC000009584927 569549426 /nfs/dbraw/zinc/54/94/26/569549426.db2.gz XBFILTKCUOAKEK-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000009584853 569549455 /nfs/dbraw/zinc/54/94/55/569549455.db2.gz LCAISPKFDDPFTL-UHFFFAOYSA-N 0 0 427.457 3.837 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)o1 ZINC000009585996 569549598 /nfs/dbraw/zinc/54/95/98/569549598.db2.gz QFRDEMKCMNXZHQ-UHFFFAOYSA-N 0 0 425.919 3.624 50 0 IHAARN COc1ccc(OC(C)=O)c([C@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)c1 ZINC000009585984 569549608 /nfs/dbraw/zinc/54/96/08/569549608.db2.gz DKANQBITIGMNOH-LJQANCHMSA-N 0 0 433.258 3.622 50 0 IHAARN Cc1cc(C)c(-c2cc(NC(=O)CN3CCC[C@@H](C(N)=O)C3)n(-c3ccccc3)n2)cc1C ZINC000009587927 569549850 /nfs/dbraw/zinc/54/98/50/569549850.db2.gz GDOKEAXRYWEWCR-HXUWFJFHSA-N 0 0 445.567 3.600 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1 ZINC000070656020 569550151 /nfs/dbraw/zinc/55/01/51/569550151.db2.gz UDXLPBZPGGCZMS-GOSISDBHSA-N 0 0 445.552 3.949 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2OC)C12CCCC2 ZINC000070666373 569550631 /nfs/dbraw/zinc/55/06/31/569550631.db2.gz GUPNURLRRCQHIF-QHCPKHFHSA-N 0 0 436.552 3.553 50 0 biogenic IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597749 569550922 /nfs/dbraw/zinc/55/09/22/569550922.db2.gz VUIDOEDHKMLRHR-FPOVZHCZSA-N 0 0 426.563 3.962 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2F)c1=O ZINC000009598703 569551094 /nfs/dbraw/zinc/55/10/94/569551094.db2.gz RRCZTYNKMUOOMZ-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009599802 569551339 /nfs/dbraw/zinc/55/13/39/569551339.db2.gz NMYRWKJFZICMOK-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000009601260 569551625 /nfs/dbraw/zinc/55/16/25/569551625.db2.gz OYBFCNBKFBQHEP-QGZVFWFLSA-N 0 0 437.569 3.506 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3c(c2=O)SCC3)c1 ZINC000009602961 569551756 /nfs/dbraw/zinc/55/17/56/569551756.db2.gz BKXHTOMTKHYQDZ-UHFFFAOYSA-N 0 0 439.562 3.929 50 0 IHAARN COC(=O)c1nc2n(n1)[C@@H](c1ccccc1F)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009608887 569552251 /nfs/dbraw/zinc/55/22/51/569552251.db2.gz JZLCBXRBBFVKQC-IBGZPJMESA-N 0 0 435.459 3.748 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccccc2)cc1 ZINC000009611564 569552780 /nfs/dbraw/zinc/55/27/80/569552780.db2.gz UNJHTBIQRXHFEF-UHFFFAOYSA-N 0 0 433.537 3.936 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000009614103 569553071 /nfs/dbraw/zinc/55/30/71/569553071.db2.gz KUSCDOVDIPKGDQ-UHFFFAOYSA-N 0 0 440.521 3.999 50 0 IHAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NC1CCCC1 ZINC000009616937 569553348 /nfs/dbraw/zinc/55/33/48/569553348.db2.gz RMILBQQCYFBPFZ-UHFFFAOYSA-N 0 0 439.943 3.704 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)nn1 ZINC000009626931 569553524 /nfs/dbraw/zinc/55/35/24/569553524.db2.gz IFOFQBLNMKVKTI-UHFFFAOYSA-N 0 0 431.901 3.852 50 0 IHAARN Cc1ccccc1N(CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)S(C)(=O)=O ZINC000009633693 569554259 /nfs/dbraw/zinc/55/42/59/569554259.db2.gz ZUFGJRTXVOCCIR-SFHVURJKSA-N 0 0 429.567 3.734 50 0 IHAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4C)n3)c2C)cc1OC ZINC000009638837 569555015 /nfs/dbraw/zinc/55/50/15/569555015.db2.gz GNQQOGXXLJDQNS-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN COc1cccc(OCCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[nH]n32)c1 ZINC000009641047 569555578 /nfs/dbraw/zinc/55/55/78/569555578.db2.gz XGSWTFKPDGKTCZ-UHFFFAOYSA-N 0 0 426.473 3.794 50 0 IHAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3ccc(C)cc3OC)n2)cc1 ZINC000009641283 569555596 /nfs/dbraw/zinc/55/55/96/569555596.db2.gz HEUORIGWCBXIOW-UHFFFAOYSA-N 0 0 438.509 3.581 50 0 IHAARN COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(OC)c(Br)c2)c1C ZINC000009642737 569555863 /nfs/dbraw/zinc/55/58/63/569555863.db2.gz RQAIGCWYQSRWHO-UHFFFAOYSA-N 0 0 438.318 3.952 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009646648 569556302 /nfs/dbraw/zinc/55/63/02/569556302.db2.gz DKLVGZGHTJJBDP-UHFFFAOYSA-N 0 0 435.505 3.867 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000009647660 569556445 /nfs/dbraw/zinc/55/64/45/569556445.db2.gz DPFUXBHGVOUCOY-INIZCTEOSA-N 0 0 427.482 3.865 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009647876 569556503 /nfs/dbraw/zinc/55/65/03/569556503.db2.gz GNVVNAHIZJKBRW-IBGZPJMESA-N 0 0 446.525 3.864 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCc1c[nH]c2ccccc12 ZINC000009659347 569556608 /nfs/dbraw/zinc/55/66/08/569556608.db2.gz PQGPXRRESRXGTM-UHFFFAOYSA-N 0 0 448.504 3.507 50 0 IHAARN O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCc1ccccc1 ZINC000009660738 569556923 /nfs/dbraw/zinc/55/69/23/569556923.db2.gz SDCZHTPGFITZQR-UHFFFAOYSA-N 0 0 425.410 3.868 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000009661092 569556969 /nfs/dbraw/zinc/55/69/69/569556969.db2.gz UHJKOVQWMFNHJY-KRWDZBQOSA-N 0 0 439.479 3.716 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000009662598 569557156 /nfs/dbraw/zinc/55/71/56/569557156.db2.gz YBWHQLLOIVMIRZ-AWEZNQCLSA-N 0 0 449.960 3.971 50 0 IHAARN C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009663402 569557229 /nfs/dbraw/zinc/55/72/29/569557229.db2.gz DVBCUJLEDKEQED-KRWDZBQOSA-N 0 0 447.626 3.871 50 0 IHAARN CC[C@@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000009665755 569557597 /nfs/dbraw/zinc/55/75/97/569557597.db2.gz JJOLBJYXRUYBPH-YPMHNXCESA-N 0 0 433.020 3.856 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(NC[C@H]4CCCO4)s3)on2)cc1 ZINC000009666716 569557814 /nfs/dbraw/zinc/55/78/14/569557814.db2.gz ASFCJCOIJZFEAY-CQSZACIVSA-N 0 0 431.543 3.823 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000009668685 569557967 /nfs/dbraw/zinc/55/79/67/569557967.db2.gz HGAYIHPIRDAVBM-HXUWFJFHSA-N 0 0 444.597 3.624 50 0 IHAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000009668694 569557981 /nfs/dbraw/zinc/55/79/81/569557981.db2.gz CGNGBOVICHQZHQ-UHFFFAOYSA-N 0 0 434.583 3.991 50 0 IHAARN COCCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1-c1ccc(Cl)cc1 ZINC000009669888 569558163 /nfs/dbraw/zinc/55/81/63/569558163.db2.gz JZLFDJSDZJRDQW-UHFFFAOYSA-N 0 0 447.973 3.915 50 0 IHAARN Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)cs2)cc1 ZINC000009670861 569558372 /nfs/dbraw/zinc/55/83/72/569558372.db2.gz ZFBCTTLYYQWIJL-UHFFFAOYSA-N 0 0 447.607 3.827 50 0 IHAARN O=C(CN1CSCC1=O)Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1 ZINC000009672515 569558810 /nfs/dbraw/zinc/55/88/10/569558810.db2.gz YDJDXIJVYDURSS-UHFFFAOYSA-N 0 0 438.456 3.849 50 0 IHAARN COc1cc(C(=O)NCc2nnc(SC/C=C/c3ccccc3)o2)cc(OC)c1OC ZINC000009673871 569558992 /nfs/dbraw/zinc/55/89/92/569558992.db2.gz DCTXYUXNXHYXMA-JXMROGBWSA-N 0 0 441.509 3.831 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(SC)c3)cc2C[C@H]1C ZINC000009677054 569559561 /nfs/dbraw/zinc/55/95/61/569559561.db2.gz AVMRZSDCTOFXEO-OAHLLOKOSA-N 0 0 446.594 3.899 50 0 IHAARN CN(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000009678789 569559674 /nfs/dbraw/zinc/55/96/74/569559674.db2.gz PQVCTOUFFRBORF-UHFFFAOYSA-N 0 0 434.867 3.783 50 0 IHAARN COc1ccc(-n2nc(C(=O)N3CCCC[C@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681730 569560221 /nfs/dbraw/zinc/56/02/21/569560221.db2.gz VUMBHOYEJXACAS-MRXNPFEDSA-N 0 0 430.508 3.901 50 0 IHAARN Cc1sc2nc([C@H](C)OC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)[nH]c(=O)c2c1C ZINC000009684372 569560602 /nfs/dbraw/zinc/56/06/02/569560602.db2.gz DRRPUTUFDYGEIP-VIFPVBQESA-N 0 0 442.465 3.516 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000009707857 569561729 /nfs/dbraw/zinc/56/17/29/569561729.db2.gz VGGRVVJFKUTZLZ-UHFFFAOYSA-N 0 0 428.880 3.976 50 0 IHAARN CCc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(S(=O)(=O)CC)c3)nc21 ZINC000009707954 569561797 /nfs/dbraw/zinc/56/17/97/569561797.db2.gz ZZINFQQHOCTBHS-UHFFFAOYSA-N 0 0 445.610 3.861 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(cccc3C)s2)cc1 ZINC000009707951 569561821 /nfs/dbraw/zinc/56/18/21/569561821.db2.gz LHDYOGPONUMYFQ-UHFFFAOYSA-N 0 0 431.583 3.607 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 ZINC000009708128 569561852 /nfs/dbraw/zinc/56/18/52/569561852.db2.gz ZZQZMIOVOSRIQP-OAQYLSRUSA-N 0 0 437.927 3.512 50 0 IHAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000009709339 569562016 /nfs/dbraw/zinc/56/20/16/569562016.db2.gz JHOXSGSFOHNMPK-HNNXBMFYSA-N 0 0 436.541 3.682 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1 ZINC000009712325 569562234 /nfs/dbraw/zinc/56/22/34/569562234.db2.gz BPWBMBNKBHMNHK-UHFFFAOYSA-N 0 0 439.519 3.971 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1c[nH]c2ccccc12 ZINC000009716020 569563180 /nfs/dbraw/zinc/56/31/80/569563180.db2.gz HYLQBHJKHIUEFS-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN Cc1nn(CC(=O)c2c(C)[nH]c3ccccc32)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000009721395 569563392 /nfs/dbraw/zinc/56/33/92/569563392.db2.gz FEYYYZKFWIUZFZ-UHFFFAOYSA-N 0 0 448.548 3.924 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721847 569563423 /nfs/dbraw/zinc/56/34/23/569563423.db2.gz UAMJFHGHPVSOEN-HNNXBMFYSA-N 0 0 444.528 3.624 50 0 IHAARN Cc1cc(F)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721846 569563458 /nfs/dbraw/zinc/56/34/58/569563458.db2.gz UAMJFHGHPVSOEN-OAHLLOKOSA-N 0 0 444.528 3.624 50 0 IHAARN CCCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000009726350 569563861 /nfs/dbraw/zinc/56/38/61/569563861.db2.gz GRPITFUZAPCSOM-UHFFFAOYSA-N 0 0 447.601 3.505 50 0 IHAARN CC[C@H](C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000009726270 569563888 /nfs/dbraw/zinc/56/38/88/569563888.db2.gz VQKOJRVCEOBHMH-INIZCTEOSA-N 0 0 447.601 3.503 50 0 IHAARN CCn1c(COC(=O)c2cccc(C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009728398 569564096 /nfs/dbraw/zinc/56/40/96/569564096.db2.gz AAAYTOBRIAPCTQ-UHFFFAOYSA-N 0 0 441.553 3.896 50 0 IHAARN CCCn1c(C)cc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)c1C ZINC000009728596 569564164 /nfs/dbraw/zinc/56/41/64/569564164.db2.gz IWRUJDTWCSAQDT-UHFFFAOYSA-N 0 0 434.587 3.507 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000009729846 569564325 /nfs/dbraw/zinc/56/43/25/569564325.db2.gz QIPWWGMFDTYGJO-OLZOCXBDSA-N 0 0 445.472 3.874 50 0 IHAARN COc1ccccc1-n1nnnc1SCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000009730430 569564438 /nfs/dbraw/zinc/56/44/38/569564438.db2.gz DIEWALBLNOLOKQ-UHFFFAOYSA-N 0 0 426.527 3.954 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2-n2cccc2)c1 ZINC000009738588 569564885 /nfs/dbraw/zinc/56/48/85/569564885.db2.gz NLVYCXIVLOMJHB-UHFFFAOYSA-N 0 0 433.537 3.784 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)cc2C)c2ccco2)cc1 ZINC000009740557 569565119 /nfs/dbraw/zinc/56/51/19/569565119.db2.gz ODHOJWPTKQONEX-HXUWFJFHSA-N 0 0 437.514 3.529 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)cc2C)c2ccco2)cc1 ZINC000009740552 569565164 /nfs/dbraw/zinc/56/51/64/569565164.db2.gz ODHOJWPTKQONEX-FQEVSTJZSA-N 0 0 437.514 3.529 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)c1 ZINC000009741722 569565305 /nfs/dbraw/zinc/56/53/05/569565305.db2.gz MPVXJSQXDFUZIX-HXUWFJFHSA-N 0 0 435.592 3.858 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c3ccccc3oc2c1=O ZINC000009752185 569566102 /nfs/dbraw/zinc/56/61/02/569566102.db2.gz URQLCJVMQMYMGR-UHFFFAOYSA-N 0 0 439.493 3.911 50 0 IHAARN CCCCc1ccc(NC(=O)COc2cc(=O)n(-c3ccccc3)nc2C(=O)OCC)cc1 ZINC000009761894 569566378 /nfs/dbraw/zinc/56/63/78/569566378.db2.gz CKXCIJWBCNPTIO-UHFFFAOYSA-N 0 0 449.507 3.769 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H]3c3cccs3)CC2=O)cc1OC ZINC000009765895 569566817 /nfs/dbraw/zinc/56/68/17/569566817.db2.gz IRPOLNSIBHZEBO-ZWKOTPCHSA-N 0 0 428.554 3.520 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c(OC)c1 ZINC000009776975 569567106 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C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009792809 569568294 /nfs/dbraw/zinc/56/82/94/569568294.db2.gz NGUBQOXKENYZFP-AWEZNQCLSA-N 0 0 431.539 3.732 50 0 IHAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009795113 569568393 /nfs/dbraw/zinc/56/83/93/569568393.db2.gz IXVXWTVRBAYVNC-IBGZPJMESA-N 0 0 442.972 3.899 50 0 IHAARN O=C(NCCn1ncc2c1ncn(Cc1ccccc1)c2=O)c1ccc(-c2ccccc2)cc1 ZINC000009822507 569569504 /nfs/dbraw/zinc/56/95/04/569569504.db2.gz UNDCKNUXECNAHH-UHFFFAOYSA-N 0 0 449.514 3.738 50 0 IHAARN Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009822603 569569590 /nfs/dbraw/zinc/56/95/90/569569590.db2.gz QEFFALMLQXNCAF-UHFFFAOYSA-N 0 0 439.475 3.629 50 0 IHAARN COc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)c(F)c4)n3n2)cc1 ZINC000009829056 569569905 /nfs/dbraw/zinc/56/99/05/569569905.db2.gz DSZRDSCRXTWDNK-UHFFFAOYSA-N 0 0 427.436 3.809 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn32)cc1OC ZINC000009829124 569569973 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CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000071327229 569575175 /nfs/dbraw/zinc/57/51/75/569575175.db2.gz PBARTLBPZWOABB-UHFFFAOYSA-N 0 0 427.892 3.702 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 ZINC000071327393 569575275 /nfs/dbraw/zinc/57/52/75/569575275.db2.gz HYKIHJYNGUZHCI-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)cc1F ZINC000009962024 569575612 /nfs/dbraw/zinc/57/56/12/569575612.db2.gz VOVQQQHBOMNZOW-QGZVFWFLSA-N 0 0 427.501 3.722 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1c(C)onc1-c1ccccc1 ZINC000009962744 569575695 /nfs/dbraw/zinc/57/56/95/569575695.db2.gz ZGQXLUAOXILLII-UHFFFAOYSA-N 0 0 428.466 3.910 50 0 IHAARN CC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000009969347 569576016 /nfs/dbraw/zinc/57/60/16/569576016.db2.gz YXVBCHROPOVLEN-UHFFFAOYSA-N 0 0 435.524 3.761 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 ZINC000010022366 569577294 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Cc1ccc(-c2csc(NC(=O)CSc3nnc(Cc4ccccc4)n3N)n2)cc1 ZINC000010186307 569578391 /nfs/dbraw/zinc/57/83/91/569578391.db2.gz SDJIQRCAVMBYRI-UHFFFAOYSA-N 0 0 436.566 3.745 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 ZINC000010186715 569578503 /nfs/dbraw/zinc/57/85/03/569578503.db2.gz BNSWTOJHKXZIEP-UHFFFAOYSA-N 0 0 425.510 3.503 50 0 IHAARN C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 ZINC000010187156 569578526 /nfs/dbraw/zinc/57/85/26/569578526.db2.gz LAVSVGMNJYIOOJ-ZYHUDNBSSA-N 0 0 446.019 3.775 50 0 IHAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000010186950 569578535 /nfs/dbraw/zinc/57/85/35/569578535.db2.gz KVLIYJQNMGZEDU-HNNXBMFYSA-N 0 0 445.591 3.762 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c(Cl)cc12 ZINC000010214176 569579076 /nfs/dbraw/zinc/57/90/76/569579076.db2.gz UZECIBQCMRKBOO-ZDUSSCGKSA-N 0 0 426.856 3.898 50 0 IHAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000010215927 569579243 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IHAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 ZINC000010327570 569581012 /nfs/dbraw/zinc/58/10/12/569581012.db2.gz LMRVYWWWNKSVJK-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1 ZINC000010337634 569581342 /nfs/dbraw/zinc/58/13/42/569581342.db2.gz KWGCXNCLPOGRRL-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2c(cccc2F)s1 ZINC000010337719 569581367 /nfs/dbraw/zinc/58/13/67/569581367.db2.gz WPWNYRFQTZGBMM-GOSISDBHSA-N 0 0 438.484 3.895 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(C)C(=O)N(C)[C@H]2c2ccc(F)c(Br)c2)no1 ZINC000010353592 569581437 /nfs/dbraw/zinc/58/14/37/569581437.db2.gz NSYICHGFKYJYNU-INIZCTEOSA-N 0 0 437.269 3.836 50 0 IHAARN Cc1c(Cl)cccc1-n1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O ZINC000010367316 569581491 /nfs/dbraw/zinc/58/14/91/569581491.db2.gz XLZBBXWRALZUNR-QGZVFWFLSA-N 0 0 444.944 3.659 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010365966 569581518 /nfs/dbraw/zinc/58/15/18/569581518.db2.gz BATDGSNFDGHFJL-UHFFFAOYSA-N 0 0 427.501 3.854 50 0 IHAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N32)cc1Cl ZINC000010433584 569582078 /nfs/dbraw/zinc/58/20/78/569582078.db2.gz QIZUHOUSASRIDT-NSHDSACASA-N 0 0 428.901 3.699 50 0 IHAARN CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)OC)C1=O ZINC000010434428 569582117 /nfs/dbraw/zinc/58/21/17/569582117.db2.gz JCQQDPGNECHNEP-MRXNPFEDSA-N 0 0 447.534 3.698 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](C)CCC(C)C)n(CC(C)C)c2=O ZINC000010438067 569582213 /nfs/dbraw/zinc/58/22/13/569582213.db2.gz CTOGQZHQFZNHRC-MRXNPFEDSA-N 0 0 447.601 3.872 50 0 IHAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000071844358 569582354 /nfs/dbraw/zinc/58/23/54/569582354.db2.gz UHYJRFLURFRWGM-DHIUTWEWSA-N 0 0 442.581 3.506 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@H](C)C2 ZINC000071874127 569582630 /nfs/dbraw/zinc/58/26/30/569582630.db2.gz PUFUAFICQANQBX-NSHDSACASA-N 0 0 425.510 3.869 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc21 ZINC000010518762 569582707 /nfs/dbraw/zinc/58/27/07/569582707.db2.gz ZCORIIACEFTUGM-HZPDHXFCSA-N 0 0 425.558 3.902 50 0 IHAARN COC(=O)c1nc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)sc1C(C)C ZINC000095479126 569583724 /nfs/dbraw/zinc/58/37/24/569583724.db2.gz MNDWGZLXYXRJCX-UHFFFAOYSA-N 0 0 442.541 3.600 50 0 IHAARN CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)nc1C ZINC000010132000 569584363 /nfs/dbraw/zinc/58/43/63/569584363.db2.gz MRJBENKVJKINSU-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)NC1CCCC1 ZINC000077099819 569585251 /nfs/dbraw/zinc/58/52/51/569585251.db2.gz DUCRYQBWUFDHBD-UHFFFAOYSA-N 0 0 440.978 3.608 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099922 569585320 /nfs/dbraw/zinc/58/53/20/569585320.db2.gz NFLYDBHBXUEXRY-UHFFFAOYSA-N 0 0 430.508 3.975 50 0 IHAARN O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177470 569585766 /nfs/dbraw/zinc/58/57/66/569585766.db2.gz VIWXZNXCSNJYLZ-AUUYWEPGSA-N 0 0 425.485 3.890 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077198104 569586273 /nfs/dbraw/zinc/58/62/73/569586273.db2.gz OYLKFLHNABBCCO-UHFFFAOYSA-N 0 0 429.342 3.676 50 0 IHAARN Cn1c2ccccc2nc(N2CCC(NC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O ZINC000033169671 569587330 /nfs/dbraw/zinc/58/73/30/569587330.db2.gz SHOAWJDBQWNZDG-UHFFFAOYSA-N 0 0 445.445 3.743 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)C1CC1 ZINC000036117847 569587857 /nfs/dbraw/zinc/58/78/57/569587857.db2.gz AIDZOFYRJAXNFM-IBGZPJMESA-N 0 0 442.581 3.909 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)COC ZINC000036121961 569587908 /nfs/dbraw/zinc/58/79/08/569587908.db2.gz QYJJAOOEEOQRFS-AZUAARDMSA-N 0 0 444.597 3.835 50 0 IHAARN CC(C)(C)CC(=O)N(CCCN1CCOCC1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000037381980 569587994 /nfs/dbraw/zinc/58/79/94/569587994.db2.gz OMKSPRKNTBFNIY-UHFFFAOYSA-N 0 0 448.995 3.920 50 0 IHAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000037428548 569588081 /nfs/dbraw/zinc/58/80/81/569588081.db2.gz YFZIABDMXPJMNN-ZLWNKQBNSA-N 0 0 435.549 3.556 50 0 IHAARN COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC ZINC000001614080 291370496 /nfs/dbraw/zinc/37/04/96/291370496.db2.gz SSXJHQZOHUYEGD-UHFFFAOYSA-N 0 0 432.425 3.520 50 0 endogenous,in-man IHAARN Cc1ccc(C2=NN(C(=O)Cn3nc(-c4cccs4)oc3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009834361 193901027 /nfs/dbraw/zinc/90/10/27/193901027.db2.gz ZOIKEEIKHCFYSZ-QGZVFWFLSA-N 0 0 434.477 3.844 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c(C)n1C1CC1 ZINC000009835133 193901298 /nfs/dbraw/zinc/90/12/98/193901298.db2.gz NHFCHLNMOGBPKG-OAQYLSRUSA-N 0 0 444.329 3.852 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009836378 193902499 /nfs/dbraw/zinc/90/24/99/193902499.db2.gz DHBNFDQGHWYYEQ-LLVKDONJSA-N 0 0 440.554 3.554 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccc(N(C)C)cc1 ZINC000009127229 132226761 /nfs/dbraw/zinc/22/67/61/132226761.db2.gz SLYNMFVFLDLRHP-UHFFFAOYSA-N 0 0 441.572 3.958 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@H](c2cccs2)NC(=S)N1c1ccc(Cl)cc1 ZINC000009130945 132226785 /nfs/dbraw/zinc/22/67/85/132226785.db2.gz KLTRKEAVVJSHMQ-SFHVURJKSA-N 0 0 433.986 3.970 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009208227 132227547 /nfs/dbraw/zinc/22/75/47/132227547.db2.gz HFXDLIVMUQBCPM-QGZVFWFLSA-N 0 0 434.569 3.504 50 0 IHAARN CCOc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)cc(OCC)c1OCC ZINC000000851810 132231713 /nfs/dbraw/zinc/23/17/13/132231713.db2.gz KCIDQVBMRBLOCY-UHFFFAOYSA-N 0 0 428.529 3.854 50 0 IHAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000009488710 132232166 /nfs/dbraw/zinc/23/21/66/132232166.db2.gz ICFKFQAZQLROIU-UHFFFAOYSA-N 0 0 430.552 3.552 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)CCc1ccccc1 ZINC000009410751 132234140 /nfs/dbraw/zinc/23/41/40/132234140.db2.gz ZOCGGZZQBTWWMG-IXFSTUDKSA-N 0 0 436.556 3.707 50 0 IHAARN Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1C ZINC000000952944 132236161 /nfs/dbraw/zinc/23/61/61/132236161.db2.gz YCIYCLAEPCEKOT-UHFFFAOYSA-N 0 0 438.578 3.972 50 0 IHAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c3ccccc32)CC1 ZINC000001156263 132237894 /nfs/dbraw/zinc/23/78/94/132237894.db2.gz YJLPHGDNQDPVFS-UHFFFAOYSA-N 0 0 426.538 3.758 50 0 IHAARN CN1CCN(c2ccc(-c3cccc(NC(=O)c4c(F)cccc4Cl)c3)nn2)CC1 ZINC000010186602 132243130 /nfs/dbraw/zinc/24/31/30/132243130.db2.gz ACZCDJKTGACQQR-UHFFFAOYSA-N 0 0 425.895 3.940 50 0 IHAARN O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000001398990 132244871 /nfs/dbraw/zinc/24/48/71/132244871.db2.gz UGLLXEGFNFDIOF-AATRIKPKSA-N 0 0 433.277 3.679 50 0 IHAARN COc1ccccc1NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3 ZINC000002225865 132249464 /nfs/dbraw/zinc/24/94/64/132249464.db2.gz VACKVZJJHIIAAQ-UHFFFAOYSA-N 0 0 438.553 3.855 50 0 IHAARN O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(c2ccccc2)CC1 ZINC000002466609 132254696 /nfs/dbraw/zinc/25/46/96/132254696.db2.gz SXJBAPHYDBAHFW-UIOOFZCWSA-N 0 0 437.543 3.872 50 0 IHAARN O=S(=O)(c1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002468068 132254709 /nfs/dbraw/zinc/25/47/09/132254709.db2.gz UHZIOAQCIKGAPY-UHFFFAOYSA-N 0 0 436.512 3.880 50 0 IHAARN CC[C@@H](C)NC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C ZINC000002931223 132259229 /nfs/dbraw/zinc/25/92/29/132259229.db2.gz ABSUGFAVZJQXSW-CQSZACIVSA-N 0 0 427.549 3.994 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccs1 ZINC000003229718 132262523 /nfs/dbraw/zinc/26/25/23/132262523.db2.gz VLHXCZWEEFMYHP-UHFFFAOYSA-N 0 0 441.530 3.929 50 0 IHAARN O=C1c2ccccc2C(=CNc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccn1 ZINC000003367044 132264698 /nfs/dbraw/zinc/26/46/98/132264698.db2.gz TYPLGEZPNSQQBU-XLNRJJMWSA-N 0 0 426.476 3.558 50 0 IHAARN COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000003375562 132264834 /nfs/dbraw/zinc/26/48/34/132264834.db2.gz IRTZVBICMVXFID-UHFFFAOYSA-N 0 0 429.523 3.546 50 0 IHAARN O=S(=O)(c1cccs1)N1CCN(c2ncnc3sc4c(c32)CCCCC4)CC1 ZINC000003441675 132265638 /nfs/dbraw/zinc/26/56/38/132265638.db2.gz KKKVEOOBTIUZGR-UHFFFAOYSA-N 0 0 434.612 3.533 50 0 IHAARN CCCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1 ZINC000003670577 132267700 /nfs/dbraw/zinc/26/77/00/132267700.db2.gz LYUYCVOSCHWDLY-HXUWFJFHSA-N 0 0 448.317 3.571 50 0 IHAARN Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1C ZINC000004122768 132270465 /nfs/dbraw/zinc/27/04/65/132270465.db2.gz ZKTDIFYSXWEMHA-UHFFFAOYSA-N 0 0 443.441 3.836 50 0 IHAARN CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000004762600 132273577 /nfs/dbraw/zinc/27/35/77/132273577.db2.gz QUEYTMCQDFWLPD-QLOJAFMTSA-N 0 0 435.609 3.539 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cc4c(c5ccccc5n(C)c4=O)n3C)C[C@@H]2C)c1 ZINC000006577352 132277764 /nfs/dbraw/zinc/27/77/64/132277764.db2.gz LFPXHKWMBLPDQD-SFHVURJKSA-N 0 0 428.536 3.690 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3cccc(F)c3)CC1)C[C@H](C)O2 ZINC000006842331 132279559 /nfs/dbraw/zinc/27/95/59/132279559.db2.gz HTCTXZDTHXUYAT-KRWDZBQOSA-N 0 0 425.504 3.870 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(F)c3)CC2)c2ccccc2O1 ZINC000006846891 132279832 /nfs/dbraw/zinc/27/98/32/132279832.db2.gz DVRRCBNGKROZJI-HXUWFJFHSA-N 0 0 425.504 3.952 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c2ccccc2O1 ZINC000006846878 132279864 /nfs/dbraw/zinc/27/98/64/132279864.db2.gz PQJNLQZXGLIBTD-GOSISDBHSA-N 0 0 427.570 3.916 50 0 IHAARN CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000008583780 132282558 /nfs/dbraw/zinc/28/25/58/132282558.db2.gz UNXZITKKVLWOLU-UHFFFAOYSA-N 0 0 430.551 3.589 50 0 IHAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000008721068 132291789 /nfs/dbraw/zinc/29/17/89/132291789.db2.gz RZKJJIQFGLZGNP-OAQYLSRUSA-N 0 0 436.600 3.973 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN2CCN(c3ccccn3)CC2)s1 ZINC000008723509 132291983 /nfs/dbraw/zinc/29/19/83/132291983.db2.gz GGXHURKWFHEEDA-UHFFFAOYSA-N 0 0 434.609 3.845 50 0 IHAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2C)c4=O)c1 ZINC000009013671 132300819 /nfs/dbraw/zinc/30/08/19/132300819.db2.gz CGFWNQOHBQQIOU-GOSISDBHSA-N 0 0 443.551 3.658 50 0 IHAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 ZINC000009056200 132301304 /nfs/dbraw/zinc/30/13/04/132301304.db2.gz URMAUNAZZKNLBP-KRWDZBQOSA-N 0 0 437.569 3.591 50 0 IHAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)c1 ZINC000009089131 132302426 /nfs/dbraw/zinc/30/24/26/132302426.db2.gz WVXOGSIBEVWLGJ-INIZCTEOSA-N 0 0 449.942 3.695 50 0 IHAARN CSc1ccc(CCNC(=O)CN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)cc1 ZINC000009114886 132303368 /nfs/dbraw/zinc/30/33/68/132303368.db2.gz OSZZTDQMEHPXLF-JOCHJYFZSA-N 0 0 433.533 3.629 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000009204278 132308419 /nfs/dbraw/zinc/30/84/19/132308419.db2.gz AJHPHDFNIHWDPG-QHCPKHFHSA-N 0 0 431.511 3.516 50 0 IHAARN Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n21 ZINC000009251449 132310860 /nfs/dbraw/zinc/31/08/60/132310860.db2.gz WWQXMUARWONTNY-KRWDZBQOSA-N 0 0 449.942 3.521 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)N2CCCCC2)c(C)c1 ZINC000009254319 132311208 /nfs/dbraw/zinc/31/12/08/132311208.db2.gz MUAPDGWQKXGUQU-CVDCTZTESA-N 0 0 448.567 3.860 50 0 IHAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2O1 ZINC000009305909 132313124 /nfs/dbraw/zinc/31/31/24/132313124.db2.gz VXUOLRRKTMAFSJ-UHFFFAOYSA-N 0 0 444.915 3.517 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009348775 132314197 /nfs/dbraw/zinc/31/41/97/132314197.db2.gz NVNLCFJKORWSAP-UHFFFAOYSA-N 0 0 426.900 3.742 50 0 IHAARN O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000009410648 132316109 /nfs/dbraw/zinc/31/61/09/132316109.db2.gz BLYBZPSAMHZNQZ-UHFFFAOYSA-N 0 0 444.491 3.763 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCCCCn3cnc4ccccc4c3=O)CC2)c1C ZINC000009447614 132317949 /nfs/dbraw/zinc/31/79/49/132317949.db2.gz WDSRMZSFHIFZMF-UHFFFAOYSA-N 0 0 432.568 3.923 50 0 IHAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009467134 132318403 /nfs/dbraw/zinc/31/84/03/132318403.db2.gz QZPZFMVAENFFTK-AWEZNQCLSA-N 0 0 428.489 3.832 50 0 IHAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000009573680 132322124 /nfs/dbraw/zinc/32/21/24/132322124.db2.gz DRZOKKAYDTWYDE-UHFFFAOYSA-N 0 0 447.992 3.752 50 0 IHAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 ZINC000009573369 132322133 /nfs/dbraw/zinc/32/21/33/132322133.db2.gz AXTPAGJJYZTSSU-GOSISDBHSA-N 0 0 433.512 3.771 50 0 IHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 ZINC000009587973 132322383 /nfs/dbraw/zinc/32/23/83/132322383.db2.gz XSDHSSHPFFKYRW-ZHRRBRCNSA-N 0 0 440.546 3.813 50 0 IHAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCc1ccccc1Cl ZINC000009594724 132322629 /nfs/dbraw/zinc/32/26/29/132322629.db2.gz VJACSJBBRCUQLP-UHFFFAOYSA-N 0 0 428.945 3.528 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000009597564 132322789 /nfs/dbraw/zinc/32/27/89/132322789.db2.gz BWCLJEPKVUTPMS-ROUUACIJSA-N 0 0 438.572 3.603 50 0 IHAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)NCC(C)C)[C@H]2c2cccs2)cc1 ZINC000009603086 132323165 /nfs/dbraw/zinc/32/31/65/132323165.db2.gz DLCQAZMDBKNTND-GCJKJVERSA-N 0 0 428.554 3.856 50 0 IHAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000009686179 132325822 /nfs/dbraw/zinc/32/58/22/132325822.db2.gz MQWDUZQITHKKNG-UHFFFAOYSA-N 0 0 438.531 3.716 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000009721061 132327693 /nfs/dbraw/zinc/32/76/93/132327693.db2.gz HRQVBBZLOROSES-UHFFFAOYSA-N 0 0 443.956 3.827 50 0 IHAARN COc1ccccc1N1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000009756523 132328451 /nfs/dbraw/zinc/32/84/51/132328451.db2.gz LARKKCKWUUJGAZ-UHFFFAOYSA-N 0 0 437.462 3.806 50 0 IHAARN C[C@@H](NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cc2ccccc2o1 ZINC000009783324 132329024 /nfs/dbraw/zinc/32/90/24/132329024.db2.gz YMNUIXYGHPHEHY-HOYKHHGWSA-N 0 0 447.535 3.890 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000009831079 132329570 /nfs/dbraw/zinc/32/95/70/132329570.db2.gz HFZAXFQYZIMEHZ-UHFFFAOYSA-N 0 0 449.518 3.869 50 0 IHAARN Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000010013232 132333999 /nfs/dbraw/zinc/33/39/99/132333999.db2.gz HZHJNGOVMLSSSJ-MRXNPFEDSA-N 0 0 436.585 3.736 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@@H]3C)c3ccccc3S2(=O)=O)cc1 ZINC000010272716 132335377 /nfs/dbraw/zinc/33/53/77/132335377.db2.gz VLRAZDXSIRMQNO-KRWDZBQOSA-N 0 0 427.526 3.531 50 0 IHAARN CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 ZINC000010857939 132336508 /nfs/dbraw/zinc/33/65/08/132336508.db2.gz FTMCMUHYKZLQQC-LJQANCHMSA-N 0 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132344604 /nfs/dbraw/zinc/34/46/04/132344604.db2.gz AQQDLZJDGHPVSZ-UHFFFAOYSA-N 0 0 425.476 3.940 50 0 IHAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013366262 132346712 /nfs/dbraw/zinc/34/67/12/132346712.db2.gz GCLPFHJOHOMRSX-VWLOTQADSA-N 0 0 443.522 3.742 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000013592302 132351324 /nfs/dbraw/zinc/35/13/24/132351324.db2.gz OVEOMHMJJBYWTE-UHFFFAOYSA-N 0 0 446.429 3.664 50 0 IHAARN CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cc(C)ccc1C ZINC000013629635 132352124 /nfs/dbraw/zinc/35/21/24/132352124.db2.gz IFGYKUSTPSQZCV-KRWDZBQOSA-N 0 0 426.542 3.532 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 ZINC000013663866 132352766 /nfs/dbraw/zinc/35/27/66/132352766.db2.gz RTARAHRJUXNROR-UHFFFAOYSA-N 0 0 428.945 3.616 50 0 IHAARN CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc2c(c1)OCCO2 ZINC000013941872 132355565 /nfs/dbraw/zinc/35/55/65/132355565.db2.gz KGWCRHMBCPKZPM-UHFFFAOYSA-N 0 0 436.537 3.808 50 0 IHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccc(F)c1 ZINC000013956272 132355739 /nfs/dbraw/zinc/35/57/39/132355739.db2.gz XTMREQBYUVZMDC-UHFFFAOYSA-N 0 0 425.533 3.545 50 0 IHAARN O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000014236029 132356876 /nfs/dbraw/zinc/35/68/76/132356876.db2.gz BBIRLHXFCZTTOL-XNTDXEJSSA-N 0 0 448.470 3.771 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)cc1 ZINC000012526907 518346860 /nfs/dbraw/zinc/34/68/60/518346860.db2.gz KEPMKBOOLVSYBY-UHFFFAOYSA-N 0 0 432.524 3.596 50 0 IHAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 ZINC000012825320 518348421 /nfs/dbraw/zinc/34/84/21/518348421.db2.gz NZWXSLBMVKUHBW-UHFFFAOYSA-N 0 0 443.551 3.713 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4C)c3c2=O)cc1 ZINC000012229076 518366600 /nfs/dbraw/zinc/36/66/00/518366600.db2.gz RAWPPOGEXUXONI-UHFFFAOYSA-N 0 0 443.507 3.855 50 0 IHAARN CC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000012901413 518380727 /nfs/dbraw/zinc/38/07/27/518380727.db2.gz DNODTQSVBFVRNZ-UHFFFAOYSA-N 0 0 440.546 3.950 50 0 IHAARN CC(=O)c1ccccc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021762870 518468201 /nfs/dbraw/zinc/46/82/01/518468201.db2.gz FKATWADHSHDDDT-UHFFFAOYSA-N 0 0 449.429 3.701 50 0 IHAARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Cn3cncn3)cc2)CCCCCC1 ZINC000024496125 518822574 /nfs/dbraw/zinc/82/25/74/518822574.db2.gz LGBFLFKKKVPKNA-UHFFFAOYSA-N 0 0 427.549 3.674 50 0 IHAARN CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000020458593 519033554 /nfs/dbraw/zinc/03/35/54/519033554.db2.gz XIDMIVZQLTWFSN-UHFFFAOYSA-N 0 0 436.767 3.564 50 0 IHAARN CC(C)(C)c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000012772087 519047284 /nfs/dbraw/zinc/04/72/84/519047284.db2.gz NAIFPKLZHMOGBT-UHFFFAOYSA-N 0 0 448.610 3.736 50 0 IHAARN C=Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000014976937 519305722 /nfs/dbraw/zinc/30/57/22/519305722.db2.gz ZRVPBAXWJAVJLI-JOCHJYFZSA-N 0 0 432.568 3.706 50 0 IHAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 ZINC000001066894 519472806 /nfs/dbraw/zinc/47/28/06/519472806.db2.gz XLXRROIVENNXDG-UHFFFAOYSA-N 0 0 443.931 3.668 50 0 IHAARN CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012896355 519485191 /nfs/dbraw/zinc/48/51/91/519485191.db2.gz VQGDKMZAXXAOLY-HNNXBMFYSA-N 0 0 431.606 3.769 50 0 IHAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccc4c(c3)OCO4)cc2s1 ZINC000021353205 519530531 /nfs/dbraw/zinc/53/05/31/519530531.db2.gz GBQCCDCYWOQADP-UHFFFAOYSA-N 0 0 425.510 3.869 50 0 IHAARN CC(C)N(C)C(=O)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000012247473 519606810 /nfs/dbraw/zinc/60/68/10/519606810.db2.gz UFJNIUCGDIVDFQ-UHFFFAOYSA-N 0 0 438.572 3.615 50 0 IHAARN CC(C)CCC(=O)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000023425599 519633244 /nfs/dbraw/zinc/63/32/44/519633244.db2.gz TWUPXTYVXNEGBD-UHFFFAOYSA-N 0 0 446.477 3.895 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)Nc3c(C)cc(C)cc3C)ccc21 ZINC000021871949 519634019 /nfs/dbraw/zinc/63/40/19/519634019.db2.gz KNRBWBJPERHUEF-QGZVFWFLSA-N 0 0 428.554 3.712 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)n2)o1 ZINC000012054398 519674882 /nfs/dbraw/zinc/67/48/82/519674882.db2.gz XIOUADIOPHRBKJ-UHFFFAOYSA-N 0 0 447.900 3.645 50 0 IHAARN CC(C)CCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccsc2c1=O ZINC000035531608 519701207 /nfs/dbraw/zinc/70/12/07/519701207.db2.gz FUAMEFFQMZBGAS-UHFFFAOYSA-N 0 0 441.582 3.560 50 0 IHAARN CC(=O)Nc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCCC3)s2)ccc1C ZINC000065032032 519703633 /nfs/dbraw/zinc/70/36/33/519703633.db2.gz ZFENVJNKLLRXCK-UHFFFAOYSA-N 0 0 449.598 3.510 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 ZINC000012754579 519708213 /nfs/dbraw/zinc/70/82/13/519708213.db2.gz FBIBXIFUNQHEGE-HNNXBMFYSA-N 0 0 438.484 3.899 50 0 IHAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000021709956 519714529 /nfs/dbraw/zinc/71/45/29/519714529.db2.gz RBPGGOVRUBZYIG-GOSISDBHSA-N 0 0 427.932 3.969 50 0 IHAARN CC(C)NC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036041999 519716448 /nfs/dbraw/zinc/71/64/48/519716448.db2.gz SRKIOEPVPFUVFR-MSOLQXFVSA-N 0 0 448.441 3.815 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCN2c3ncccc3O[C@@H](c3ccccc3)C2=O)cc1 ZINC000020512022 519721737 /nfs/dbraw/zinc/72/17/37/519721737.db2.gz ZSLNRSOIWVAZKO-QHCPKHFHSA-N 0 0 444.491 3.926 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000021157540 519724308 /nfs/dbraw/zinc/72/43/08/519724308.db2.gz POFPUDLYBDZKKG-CQSZACIVSA-N 0 0 440.887 3.977 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 ZINC000012862524 519743940 /nfs/dbraw/zinc/74/39/40/519743940.db2.gz RKROIFVGXKNDPC-INIZCTEOSA-N 0 0 438.915 3.809 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 ZINC000033153828 519778127 /nfs/dbraw/zinc/77/81/27/519778127.db2.gz IGENQOOPMAJFBC-PJMHOZITSA-N 0 0 431.517 3.969 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012999683 519820284 /nfs/dbraw/zinc/82/02/84/519820284.db2.gz YZSQYGPBGRLFPC-QFIPXVFZSA-N 0 0 439.531 3.523 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000012561430 519849234 /nfs/dbraw/zinc/84/92/34/519849234.db2.gz SKJPUYWBDDYIRR-FQEVSTJZSA-N 0 0 428.485 3.870 50 0 IHAARN CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1 ZINC000012414394 519866765 /nfs/dbraw/zinc/86/67/65/519866765.db2.gz XTECSMMUJDTBMX-UHFFFAOYSA-N 0 0 439.581 3.606 50 0 IHAARN CCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000021633556 519879107 /nfs/dbraw/zinc/87/91/07/519879107.db2.gz BGOSCCBRTHDHDH-UHFFFAOYSA-N 0 0 425.510 3.730 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000035948913 519883345 /nfs/dbraw/zinc/88/33/45/519883345.db2.gz JDPKGIHNKUSEOB-LJQANCHMSA-N 0 0 446.548 3.633 50 0 IHAARN CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nn21 ZINC000020725641 519893322 /nfs/dbraw/zinc/89/33/22/519893322.db2.gz NFYWKOWSUASAHR-UHFFFAOYSA-N 0 0 443.349 3.865 50 0 IHAARN CCN(C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000022715859 519916607 /nfs/dbraw/zinc/91/66/07/519916607.db2.gz GOLNECBDGSDJDS-UHFFFAOYSA-N 0 0 435.446 3.913 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)Nc1ncccc1O ZINC000012638085 520080337 /nfs/dbraw/zinc/08/03/37/520080337.db2.gz KXTMLPDGMGYXCU-UHFFFAOYSA-N 0 0 431.452 3.803 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012796857 520125881 /nfs/dbraw/zinc/12/58/81/520125881.db2.gz LPGQMIBQTCTPKC-DOTOQJQBSA-N 0 0 446.935 3.540 50 0 IHAARN CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(NC(=O)[C@@]45CC[C@@H](C4)C(C)(C)C5=O)n3)CC[C@@H]1C2 ZINC000016294403 520244685 /nfs/dbraw/zinc/24/46/85/520244685.db2.gz GJPVJXBSUAHXIM-JSGODKSXSA-N 0 0 437.540 3.749 50 0 IHAARN CCCCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C ZINC000021053131 520278172 /nfs/dbraw/zinc/27/81/72/520278172.db2.gz UYBKIPWLJPGYOT-QGZVFWFLSA-N 0 0 436.622 3.621 50 0 IHAARN CCCCC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000012902783 520308018 /nfs/dbraw/zinc/30/80/18/520308018.db2.gz WVSHDPASHXJIKF-QFBILLFUSA-N 0 0 444.601 3.808 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000023569445 520338141 /nfs/dbraw/zinc/33/81/41/520338141.db2.gz STURBFMQRTUTFV-UHFFFAOYSA-N 0 0 441.528 3.948 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000021473621 520368935 /nfs/dbraw/zinc/36/89/35/520368935.db2.gz UFOXXJKEAPTDOF-UHFFFAOYSA-N 0 0 426.460 3.843 50 0 IHAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)COc2ccccc2OC)CC1 ZINC000012719076 520460598 /nfs/dbraw/zinc/46/05/98/520460598.db2.gz ALZRZNARFLDFJI-UHFFFAOYSA-N 0 0 425.525 3.879 50 0 IHAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cccc3nccnc32)CC1 ZINC000012760939 520463380 /nfs/dbraw/zinc/46/33/80/520463380.db2.gz HLQRUSCKAUPCMH-UHFFFAOYSA-N 0 0 433.508 3.667 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2c(C)cccc2C)c2ncnn2[C@@H]1c1ccccc1 ZINC000021349969 520475071 /nfs/dbraw/zinc/47/50/71/520475071.db2.gz JWLHWZVMKRKCLQ-HSZRJFAPSA-N 0 0 445.523 3.780 50 0 IHAARN CCOC(=O)C1=C(CN(Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559178 520508482 /nfs/dbraw/zinc/50/84/82/520508482.db2.gz VZOYQFCORUGWIV-HXUWFJFHSA-N 0 0 429.542 3.957 50 0 IHAARN CCOC(=O)C1=C(CN2CCCCC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991225 520512306 /nfs/dbraw/zinc/51/23/06/520512306.db2.gz HNGWLBNJAICOMA-SFHVURJKSA-N 0 0 426.344 3.993 50 0 IHAARN CC1(C)C[C@H]([C@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 ZINC000012662044 520559811 /nfs/dbraw/zinc/55/98/11/520559811.db2.gz FFFLGCIQNOKFSM-NHCUHLMSSA-N 0 0 448.563 3.853 50 0 biogenic IHAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)CC1 ZINC000035536861 520564343 /nfs/dbraw/zinc/56/43/43/520564343.db2.gz OXQBVUAUEQDLSE-QGZVFWFLSA-N 0 0 433.508 3.866 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C1 ZINC000012596653 520577893 /nfs/dbraw/zinc/57/78/93/520577893.db2.gz QWYQAIVGIGABMD-HXUWFJFHSA-N 0 0 429.524 3.735 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)NCCC2=CCCCC2)c2cc(C)c(C)cc2N1 ZINC000035480642 520609119 /nfs/dbraw/zinc/60/91/19/520609119.db2.gz JKEFUMRTJMFHJM-UHFFFAOYSA-N 0 0 439.556 3.906 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccc(C)o2)c1 ZINC000033265021 520627978 /nfs/dbraw/zinc/62/79/78/520627978.db2.gz YJDFFYORPNRQHT-UHFFFAOYSA-N 0 0 426.542 3.712 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000012933951 520630534 /nfs/dbraw/zinc/63/05/34/520630534.db2.gz VCCJJURPYMVXQB-IZQLPPHKSA-N 0 0 436.508 3.902 50 0 IHAARN CCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036049194 520681301 /nfs/dbraw/zinc/68/13/01/520681301.db2.gz HRMRASBWPGZQAK-UXHICEINSA-N 0 0 438.952 3.800 50 0 IHAARN CCCCNC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012662184 520684593 /nfs/dbraw/zinc/68/45/93/520684593.db2.gz WTOWYPIVDDUFEI-VWLOTQADSA-N 0 0 430.508 3.938 50 0 biogenic IHAARN CCOc1cc(CNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)ccc1OC ZINC000041253803 520701423 /nfs/dbraw/zinc/70/14/23/520701423.db2.gz LSBUOYCDJLGCON-UHFFFAOYSA-N 0 0 441.915 3.678 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)ccc1O ZINC000021784172 520785821 /nfs/dbraw/zinc/78/58/21/520785821.db2.gz RXSKUYDELJWKSB-CQSZACIVSA-N 0 0 441.484 3.780 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CSCC(=O)Nc1ccc(C)cc1)O[C@H](C)C2 ZINC000024318814 520790296 /nfs/dbraw/zinc/79/02/96/520790296.db2.gz OWDRGIULBPMUCX-MRXNPFEDSA-N 0 0 428.554 3.705 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 ZINC000032934426 520791929 /nfs/dbraw/zinc/79/19/29/520791929.db2.gz CBKKAKYPRQWGAL-FOIQADDNSA-N 0 0 441.503 3.861 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 ZINC000012761184 520800008 /nfs/dbraw/zinc/80/00/08/520800008.db2.gz ABYHNMCOFPXFEE-NTUHNPAUSA-N 0 0 430.526 3.530 50 0 IHAARN CCOC(=O)COc1ccc(F)cc1C(=O)c1ccn2nc(-c3ccc(F)cc3)cc2n1 ZINC000021729318 520802204 /nfs/dbraw/zinc/80/22/04/520802204.db2.gz VOVSWTCCVFFPOD-UHFFFAOYSA-N 0 0 437.402 3.847 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(OC(F)F)cc1 ZINC000012808525 520809534 /nfs/dbraw/zinc/80/95/34/520809534.db2.gz DKOFXZCIRIBWAU-UHFFFAOYSA-N 0 0 438.496 3.912 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000012787231 520809785 /nfs/dbraw/zinc/80/97/85/520809785.db2.gz KLMZCQHLGCPSNR-INIZCTEOSA-N 0 0 438.977 3.935 50 0 IHAARN CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)o2)cc1 ZINC000012419331 520821463 /nfs/dbraw/zinc/82/14/63/520821463.db2.gz UUPWVAOBNLWMNB-UHFFFAOYSA-N 0 0 432.473 3.549 50 0 IHAARN CCCCOc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752212 520876559 /nfs/dbraw/zinc/87/65/59/520876559.db2.gz WRYZJNRYRHQCCG-UHFFFAOYSA-N 0 0 439.585 3.627 50 0 IHAARN CCN(CC)c1cc(COC)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000036061609 520876689 /nfs/dbraw/zinc/87/66/89/520876689.db2.gz XSHJFSCOHZIBSN-HXUWFJFHSA-N 0 0 444.601 3.670 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)Nc1nnc(N(C)Cc2ccccc2)s1)c1ccccc1 ZINC000020464511 520886666 /nfs/dbraw/zinc/88/66/66/520886666.db2.gz BWFQSJKAYQWYSN-SFHVURJKSA-N 0 0 439.541 3.991 50 0 IHAARN CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012801556 520914840 /nfs/dbraw/zinc/91/48/40/520914840.db2.gz GUBGSSBTGVNDMV-YADHBBJMSA-N 0 0 445.991 3.912 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OCC ZINC000020688399 520951119 /nfs/dbraw/zinc/95/11/19/520951119.db2.gz LHVPDPDETOUGEU-MRXNPFEDSA-N 0 0 448.922 3.988 50 0 IHAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2cccnc2)CC1 ZINC000021860649 520951630 /nfs/dbraw/zinc/95/16/30/520951630.db2.gz GIHQQHAUXSTVTO-HGEUABKPSA-N 0 0 431.540 3.541 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC1 ZINC000012813480 520955025 /nfs/dbraw/zinc/95/50/25/520955025.db2.gz ZBPGQOBAMOIBNE-UHFFFAOYSA-N 0 0 426.542 3.543 50 0 IHAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2CC)CC1 ZINC000020893330 520956066 /nfs/dbraw/zinc/95/60/66/520956066.db2.gz QZUZKUHNNFFZDH-UHFFFAOYSA-N 0 0 441.576 3.849 50 0 IHAARN CCOC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000012900335 521047448 /nfs/dbraw/zinc/04/74/48/521047448.db2.gz LBUGNBJBMLKAGH-SFHVURJKSA-N 0 0 440.448 3.739 50 0 biogenic IHAARN CCOc1ccc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OCC ZINC000012326858 521057541 /nfs/dbraw/zinc/05/75/41/521057541.db2.gz OYSCWCCEFPWDGV-SFHVURJKSA-N 0 0 425.529 3.773 50 0 IHAARN CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000012700406 521073206 /nfs/dbraw/zinc/07/32/06/521073206.db2.gz KNIOAOQUOWJNPA-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N(CC)c3cccc(C)c3)cc2C[C@@H]1C ZINC000020854962 521166637 /nfs/dbraw/zinc/16/66/37/521166637.db2.gz PCYNJMYLSYOQHA-SFHVURJKSA-N 0 0 442.581 3.900 50 0 IHAARN CCOc1ccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 ZINC000012880539 521181272 /nfs/dbraw/zinc/18/12/72/521181272.db2.gz OKRYKHDMGDGGIY-UHFFFAOYSA-N 0 0 441.292 3.706 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000033155584 521191120 /nfs/dbraw/zinc/19/11/20/521191120.db2.gz IYPGGTNKLKUSIJ-UHFFFAOYSA-N 0 0 442.541 3.554 50 0 IHAARN CCC(=O)Nc1nc2ccc(NC(=O)[C@@H](CC)N3C(=O)COc4ccccc43)cc2s1 ZINC000021533784 521230570 /nfs/dbraw/zinc/23/05/70/521230570.db2.gz VTNDPZNRACVGPH-OAHLLOKOSA-N 0 0 438.509 3.788 50 0 IHAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3cccc(OC)c3)N2C1=O ZINC000021643803 521252863 /nfs/dbraw/zinc/25/28/63/521252863.db2.gz UUOPASNGQVXQHR-LJQANCHMSA-N 0 0 436.537 3.503 50 0 IHAARN CCOc1ccc2nc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)sc2c1 ZINC000022024674 521306067 /nfs/dbraw/zinc/30/60/67/521306067.db2.gz DTASMZBAJZKOOD-LBPRGKRZSA-N 0 0 431.539 3.658 50 0 IHAARN CCOc1ccc2oc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c(C)c2c1 ZINC000012614462 521310068 /nfs/dbraw/zinc/31/00/68/521310068.db2.gz PUZWHPOBOIXEON-UHFFFAOYSA-N 0 0 435.524 3.973 50 0 IHAARN CCCCc1nn2c(nc(CSc3n[nH]c(-c4cccc(OC)c4)n3)cc2=O)s1 ZINC000015731871 521313213 /nfs/dbraw/zinc/31/32/13/521313213.db2.gz CKQGEADDZXQHSH-UHFFFAOYSA-N 0 0 428.543 3.580 50 0 IHAARN CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)OCC ZINC000020858710 521360749 /nfs/dbraw/zinc/36/07/49/521360749.db2.gz RKICZDLGLJUZDO-UHFFFAOYSA-N 0 0 434.606 3.566 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)c1C ZINC000021153898 521363518 /nfs/dbraw/zinc/36/35/18/521363518.db2.gz SPTVWWYLKOYIEJ-UHFFFAOYSA-N 0 0 443.519 3.506 50 0 IHAARN CCCCn1c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2c2ccsc2c1=O ZINC000035531944 521380308 /nfs/dbraw/zinc/38/03/08/521380308.db2.gz DWRSEUBHUHTBAL-UHFFFAOYSA-N 0 0 443.554 3.645 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000012111344 521389992 /nfs/dbraw/zinc/38/99/92/521389992.db2.gz AHJXZLVWSWZITG-UHFFFAOYSA-N 0 0 439.493 3.542 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)n1 ZINC000022658164 521429605 /nfs/dbraw/zinc/42/96/05/521429605.db2.gz RETWECYMQPIRQD-UHFFFAOYSA-N 0 0 443.544 3.852 50 0 IHAARN CCOC(=O)c1cc(O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc(C(=O)OCC)c1 ZINC000022040087 521446088 /nfs/dbraw/zinc/44/60/88/521446088.db2.gz MYKJZWAVQUZOBZ-HNNXBMFYSA-N 0 0 431.460 3.605 50 0 IHAARN CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000017315851 521462906 /nfs/dbraw/zinc/46/29/06/521462906.db2.gz MCJGXJBNIAXGLL-UHFFFAOYSA-N 0 0 439.479 3.961 50 0 IHAARN CCOC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)o1 ZINC000012100268 521474974 /nfs/dbraw/zinc/47/49/74/521474974.db2.gz KPIUXZVXMIGUDO-SANMLTNESA-N 0 0 448.519 3.897 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)cc1 ZINC000023138081 521500555 /nfs/dbraw/zinc/50/05/55/521500555.db2.gz ALYLBTZRTJIHPO-UHFFFAOYSA-N 0 0 441.484 3.559 50 0 IHAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CC4)sc3n2)s1 ZINC000020983916 521504880 /nfs/dbraw/zinc/50/48/80/521504880.db2.gz PPXSMFLNDZRKTE-UHFFFAOYSA-N 0 0 436.588 3.547 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 ZINC000012195923 521512113 /nfs/dbraw/zinc/51/21/13/521512113.db2.gz MUXJOCUXSFWFPG-UHFFFAOYSA-N 0 0 436.917 3.699 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000020190232 521534975 /nfs/dbraw/zinc/53/49/75/521534975.db2.gz KMPBGPBZAVFOGM-UHFFFAOYSA-N 0 0 433.508 3.665 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)NCCC1=CCCCC1)CCN(Cc1ccccc1)C2 ZINC000035457192 521539689 /nfs/dbraw/zinc/53/96/89/521539689.db2.gz VAABJVODMXOUML-UHFFFAOYSA-N 0 0 448.611 3.761 50 0 IHAARN CCOC(=O)c1cccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1 ZINC000020990164 521546366 /nfs/dbraw/zinc/54/63/66/521546366.db2.gz VGJMNFSGDORGEY-UHFFFAOYSA-N 0 0 426.494 3.973 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cccc(S(C)(=O)=O)c2)nc1-c1ccccc1 ZINC000012861979 521614309 /nfs/dbraw/zinc/61/43/09/521614309.db2.gz ISTSMJSXENJPPM-UHFFFAOYSA-N 0 0 430.507 3.643 50 0 IHAARN CCCN(CC1CC1)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000012821054 521619365 /nfs/dbraw/zinc/61/93/65/521619365.db2.gz QKEPHRPKYGLHDA-UHFFFAOYSA-N 0 0 431.949 3.915 50 0 IHAARN CCCn1c(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)nc2ccccc21 ZINC000021597511 521632811 /nfs/dbraw/zinc/63/28/11/521632811.db2.gz YNYIZKZMSMQDGC-SFHVURJKSA-N 0 0 440.569 3.945 50 0 IHAARN CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc2c1=O ZINC000012567568 521633565 /nfs/dbraw/zinc/63/35/65/521633565.db2.gz DFLJKOZNNMUMBZ-HNNXBMFYSA-N 0 0 436.537 3.663 50 0 IHAARN CCCN(CCC)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC ZINC000034920874 521641055 /nfs/dbraw/zinc/64/10/55/521641055.db2.gz PCVJRQAJNSJSRB-GOSISDBHSA-N 0 0 432.561 3.854 50 0 IHAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccccc3C(N)=O)c2s1 ZINC000035533978 521651138 /nfs/dbraw/zinc/65/11/38/521651138.db2.gz UDJKCWIMZXNNKC-UHFFFAOYSA-N 0 0 444.586 3.542 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000012727280 521695676 /nfs/dbraw/zinc/69/56/76/521695676.db2.gz SSWYIHMUJNZDRM-UHFFFAOYSA-N 0 0 438.509 3.613 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021862133 521706160 /nfs/dbraw/zinc/70/61/60/521706160.db2.gz DDUATFHCOHFQLC-DEOSSOPVSA-N 0 0 426.561 3.516 50 0 IHAARN CCOCCCN1C(=O)CSc2c(c3ccccc3n2C)[C@@H]1C(=O)NCCC(C)C ZINC000021911724 521706193 /nfs/dbraw/zinc/70/61/93/521706193.db2.gz RVOMZVZURYOBGY-OAQYLSRUSA-N 0 0 431.602 3.743 50 0 IHAARN CCOCCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158962 521710694 /nfs/dbraw/zinc/71/06/94/521710694.db2.gz YVQSHBKEPBPABN-UHFFFAOYSA-N 0 0 438.547 3.983 50 0 IHAARN CCN1CCc2nc(NC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)sc2C1 ZINC000021296663 521724458 /nfs/dbraw/zinc/72/44/58/521724458.db2.gz FXLNWFSGAJEWIW-UHFFFAOYSA-N 0 0 434.569 3.905 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)C[C@@H]1CSCN12 ZINC000021883322 521731129 /nfs/dbraw/zinc/73/11/29/521731129.db2.gz RNPJOVSWLODOSK-CDMIOBSGSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1cccc(Cl)c1)C[C@@H]1CSCN12 ZINC000021883320 521731192 /nfs/dbraw/zinc/73/11/92/521731192.db2.gz MZJFYNGCIICUDX-NRJQMVOHSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)C2CCCC2)c(C)n1C ZINC000036006377 521751556 /nfs/dbraw/zinc/75/15/56/521751556.db2.gz CAGZOTYBLCFQQS-UHFFFAOYSA-N 0 0 428.504 3.969 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nc2ccccc2c(=O)n1CCCO ZINC000029814976 521755783 /nfs/dbraw/zinc/75/57/83/521755783.db2.gz ZFSRKTRNESPFEF-UHFFFAOYSA-N 0 0 449.532 3.714 50 0 IHAARN COC(=O)c1c(NC(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000020591107 521766043 /nfs/dbraw/zinc/76/60/43/521766043.db2.gz MHGGXEYFBABQNV-UHFFFAOYSA-N 0 0 443.569 3.736 50 0 IHAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)OC)cnc2n1C[C@H]1CCCO1 ZINC000014541543 521771753 /nfs/dbraw/zinc/77/17/53/521771753.db2.gz FPKYYQSNHKMHRU-WMLDXEAASA-N 0 0 446.548 3.576 50 0 IHAARN COCCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2cccs2)n1Cc1ccccc1 ZINC000012439505 521772641 /nfs/dbraw/zinc/77/26/41/521772641.db2.gz AOGGAXBAXBDJQS-QGZVFWFLSA-N 0 0 433.599 3.606 50 0 IHAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1 ZINC000012463060 521831057 /nfs/dbraw/zinc/83/10/57/521831057.db2.gz IEYZKWDXHKUSIU-UHFFFAOYSA-N 0 0 441.487 3.568 50 0 IHAARN CC[C@@H](C)C(=O)C(=O)N1CCC([C@@H](Cc2cccc(OC)c2)N(C)C(=O)CC(C)C)CC1 ZINC000012167482 521901557 /nfs/dbraw/zinc/90/15/57/521901557.db2.gz KALJWKGLFLLJNZ-AUSIDOKSSA-N 0 0 444.616 3.965 50 0 IHAARN CC[C@@H](C)C(=O)Nc1c2cc(NC3CCC3)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014538292 521922068 /nfs/dbraw/zinc/92/20/68/521922068.db2.gz LZJSGXBRBYGUAO-PBHICJAKSA-N 0 0 428.533 3.951 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000012777800 521977778 /nfs/dbraw/zinc/97/77/78/521977778.db2.gz KEKPJCOECGXDON-UHFFFAOYSA-N 0 0 441.534 3.737 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000012736468 521980633 /nfs/dbraw/zinc/98/06/33/521980633.db2.gz FJKAALBHQLQGEK-UHFFFAOYSA-N 0 0 441.303 3.748 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000012856732 521984146 /nfs/dbraw/zinc/98/41/46/521984146.db2.gz KKMAEXKHANNEBN-MRXNPFEDSA-N 0 0 428.938 3.696 50 0 IHAARN COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1OC ZINC000017332156 522023089 /nfs/dbraw/zinc/02/30/89/522023089.db2.gz FMYLNOYQDHCLHQ-UHFFFAOYSA-N 0 0 434.739 3.940 50 0 IHAARN CC[C@H](C)c1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1 ZINC000021464508 522036701 /nfs/dbraw/zinc/03/67/01/522036701.db2.gz GVIMOFAFZZCNRK-HNNXBMFYSA-N 0 0 436.537 3.543 50 0 IHAARN COC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cc(C)ccc3C)C(C(=O)OC)=C2)cc1 ZINC000001132091 522079268 /nfs/dbraw/zinc/07/92/68/522079268.db2.gz XXEPPTOBKVPSEN-UHFFFAOYSA-N 0 0 435.476 3.808 50 0 IHAARN COC(=O)c1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1 ZINC000033067786 522109033 /nfs/dbraw/zinc/10/90/33/522109033.db2.gz CLHZNCSOHLFYAV-UHFFFAOYSA-N 0 0 444.447 3.704 50 0 IHAARN COc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)ccc1OCc1ccccc1 ZINC000012783225 522124290 /nfs/dbraw/zinc/12/42/90/522124290.db2.gz XZWUSRCKJZNZLK-UHFFFAOYSA-N 0 0 428.492 3.844 50 0 IHAARN COc1cc(C)c(CN2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1OC ZINC000022787231 522191200 /nfs/dbraw/zinc/19/12/00/522191200.db2.gz ZMPAQJGCEGGOFL-RTBURBONSA-N 0 0 443.563 3.535 50 0 IHAARN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000012535985 522251456 /nfs/dbraw/zinc/25/14/56/522251456.db2.gz WHTLAFKFUSQTDY-UHFFFAOYSA-N 0 0 425.466 3.918 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(C)=O)CC1 ZINC000020532288 522276152 /nfs/dbraw/zinc/27/61/52/522276152.db2.gz JPBXAHCGKSAOJH-UHFFFAOYSA-N 0 0 439.512 3.527 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NCCNC(=O)c2ccc(OC)cc2)n1 ZINC000036025936 522468729 /nfs/dbraw/zinc/46/87/29/522468729.db2.gz FDBPGNUPJXMOPV-UHFFFAOYSA-N 0 0 444.539 3.845 50 0 IHAARN COc1cc(CNS(=O)(=O)c2ccc(Br)c(C)c2)ccc1OC(F)F ZINC000017332511 522472046 /nfs/dbraw/zinc/47/20/46/522472046.db2.gz LCQVBBKOYBKDDA-UHFFFAOYSA-N 0 0 436.274 3.846 50 0 IHAARN CN(CC(=O)OCc1cc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021255089 522533767 /nfs/dbraw/zinc/53/37/67/522533767.db2.gz NBMCHMISWCPBNS-UHFFFAOYSA-N 0 0 439.320 3.906 50 0 IHAARN CCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)NCCNC(=O)C3CCCC3)cc12 ZINC000035989099 522639087 /nfs/dbraw/zinc/63/90/87/522639087.db2.gz CEITXZYVZNGSGY-UHFFFAOYSA-N 0 0 440.569 3.694 50 0 IHAARN COc1cc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)cc(OC)c1 ZINC000035532740 522666572 /nfs/dbraw/zinc/66/65/72/522666572.db2.gz DSGDOXVQVQXSQU-UHFFFAOYSA-N 0 0 445.570 3.825 50 0 IHAARN CCc1nn(CCCC(=O)NCc2ccccc2Cl)c(=O)c2cc3oc(C)cc3n21 ZINC000020862322 522705310 /nfs/dbraw/zinc/70/53/10/522705310.db2.gz PFJFVNLIWIVQOZ-UHFFFAOYSA-N 0 0 426.904 3.863 50 0 IHAARN CCc1nn2c(nc(CSCC(=O)Nc3cccc(C(F)(F)F)c3)cc2=O)s1 ZINC000021042118 522709375 /nfs/dbraw/zinc/70/93/75/522709375.db2.gz YBHZTPXVRKKWON-UHFFFAOYSA-N 0 0 428.461 3.604 50 0 IHAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NC2CCCCC2)cc1OC ZINC000012599575 522728242 /nfs/dbraw/zinc/72/82/42/522728242.db2.gz BWZCNQKALIEWMJ-UHFFFAOYSA-N 0 0 446.525 3.623 50 0 IHAARN COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 ZINC000021756755 522741624 /nfs/dbraw/zinc/74/16/24/522741624.db2.gz FRIHQEBNHKUBAC-UHFFFAOYSA-N 0 0 430.570 3.955 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)Cc3cc(C(C)=O)ccc3OC)CC2)c(OC)c1 ZINC000011918697 522790333 /nfs/dbraw/zinc/79/03/33/522790333.db2.gz VIYWDLODQPLMCL-UHFFFAOYSA-N 0 0 439.508 3.782 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000021374721 522817493 /nfs/dbraw/zinc/81/74/93/522817493.db2.gz FHQOLEFMKIKCRB-RUDMXATFSA-N 0 0 437.395 3.509 50 0 IHAARN COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC ZINC000020892663 522832342 /nfs/dbraw/zinc/83/23/42/522832342.db2.gz ILVJRYHIOVBGCJ-NRFANRHFSA-N 0 0 425.510 3.981 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)c1 ZINC000012223883 522850247 /nfs/dbraw/zinc/85/02/47/522850247.db2.gz ADUMKVFFOFGREK-UHFFFAOYSA-N 0 0 448.523 3.865 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3)CC2)c1 ZINC000012382101 522850272 /nfs/dbraw/zinc/85/02/72/522850272.db2.gz IXAUWBQFEWPVGB-UHFFFAOYSA-N 0 0 425.529 3.651 50 0 IHAARN COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 ZINC000012627559 522882941 /nfs/dbraw/zinc/88/29/41/522882941.db2.gz FOMYNWIDEMAVLS-SFHVURJKSA-N 0 0 448.292 3.858 50 0 IHAARN CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4ccc(SC)cc4)C3)c12 ZINC000021533243 522923266 /nfs/dbraw/zinc/92/32/66/522923266.db2.gz UEHFKJYHMBBHSF-MRXNPFEDSA-N 0 0 425.558 3.743 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1)C(=O)Nc1ccc(F)cc1 ZINC000033277998 522995965 /nfs/dbraw/zinc/99/59/65/522995965.db2.gz UJJIIRTUCYLPDY-UHFFFAOYSA-N 0 0 437.475 3.818 50 0 IHAARN CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O ZINC000011982250 523004594 /nfs/dbraw/zinc/00/45/94/523004594.db2.gz MLUJYWAWXAYCNH-LVXARBLLSA-N 0 0 433.552 3.768 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 ZINC000012899526 523025033 /nfs/dbraw/zinc/02/50/33/523025033.db2.gz NUNVYRDIJOXBMD-UHFFFAOYSA-N 0 0 437.492 3.699 50 0 biogenic IHAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccc(F)c1)N(C(=O)NC(C)(C)C)CC2 ZINC000036039288 523038255 /nfs/dbraw/zinc/03/82/55/523038255.db2.gz SRBXAWUXALZTIR-LJQANCHMSA-N 0 0 443.519 3.680 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC(C)(C)CC(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011997036 523095038 /nfs/dbraw/zinc/09/50/38/523095038.db2.gz LMUVPPNSHPLXQU-QGZVFWFLSA-N 0 0 447.601 3.863 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)c3cnn(C)c3n2)cc1 ZINC000036616493 523101436 /nfs/dbraw/zinc/10/14/36/523101436.db2.gz UBPLDVGAHDZDKE-UHFFFAOYSA-N 0 0 439.479 3.536 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccs4)nc3n2)cc1 ZINC000021727634 523103955 /nfs/dbraw/zinc/10/39/55/523103955.db2.gz XXJMFJFISNAPJB-UHFFFAOYSA-N 0 0 433.415 3.810 50 0 IHAARN CCn1c(C)c(C(=O)[C@@H](C)N(CCOC)C(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036025200 523122478 /nfs/dbraw/zinc/12/24/78/523122478.db2.gz HPMKVKODYBHDMN-GOSISDBHSA-N 0 0 428.529 3.580 50 0 IHAARN CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697087 523141991 /nfs/dbraw/zinc/14/19/91/523141991.db2.gz GFIVSJWEEUVJSL-QHCPKHFHSA-N 0 0 438.959 3.842 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000021687727 523165508 /nfs/dbraw/zinc/16/55/08/523165508.db2.gz DLSBTGGOBBFUPO-UHFFFAOYSA-N 0 0 437.521 3.505 50 0 IHAARN CCn1c(CSc2nnc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012602087 523201360 /nfs/dbraw/zinc/20/13/60/523201360.db2.gz IUNNETZROPMSHY-UHFFFAOYSA-N 0 0 437.616 3.683 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(Cn4c(=O)oc5ccccc54)CC3)cs2)cc1 ZINC000022751731 523204685 /nfs/dbraw/zinc/20/46/85/523204685.db2.gz HMYYHXQMMSQGCG-UHFFFAOYSA-N 0 0 436.537 3.502 50 0 IHAARN COc1ccc(-c2nc(NC[C@@H]3CCCO3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929253 523221297 /nfs/dbraw/zinc/22/12/97/523221297.db2.gz YMGIRKFYKHFXMG-IBGZPJMESA-N 0 0 446.511 3.673 50 0 IHAARN COC(=O)CSCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000021137231 523235893 /nfs/dbraw/zinc/23/58/93/523235893.db2.gz KKBNHOUVGPQUKU-UHFFFAOYSA-N 0 0 426.416 3.802 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccc(C(C)=O)cc3)c1=O)c(C)nn2-c1ccccc1 ZINC000021040785 523254321 /nfs/dbraw/zinc/25/43/21/523254321.db2.gz MMGAUJKKDIJFLN-UHFFFAOYSA-N 0 0 443.507 3.684 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3cc(F)ccc3C)c1=O)c(C)nn2-c1ccccc1 ZINC000021641101 523254349 /nfs/dbraw/zinc/25/43/49/523254349.db2.gz AUURDTGTUQCYCI-UHFFFAOYSA-N 0 0 433.487 3.929 50 0 IHAARN CCn1c2cc(NC(=O)c3ccc(OC)c(OC)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000020853213 523256342 /nfs/dbraw/zinc/25/63/42/523256342.db2.gz DLUJAJYIHSGGRS-UHFFFAOYSA-N 0 0 438.528 3.713 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(c4ncccn4)CC3)ccc21 ZINC000016483367 523276569 /nfs/dbraw/zinc/27/65/69/523276569.db2.gz BUAATYAYELYSLN-SFHVURJKSA-N 0 0 428.540 3.754 50 0 IHAARN COC(=O)C[C@@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccs1 ZINC000012883454 523277455 /nfs/dbraw/zinc/27/74/55/523277455.db2.gz AVVPSAAQHRJAFK-LJQANCHMSA-N 0 0 448.500 3.579 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012582392 523277868 /nfs/dbraw/zinc/27/78/68/523277868.db2.gz CPJJGCNMMKSMRA-UHFFFAOYSA-N 0 0 426.476 3.978 50 0 IHAARN CCn1c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528460 523296724 /nfs/dbraw/zinc/29/67/24/523296724.db2.gz IPOKIEQZWAFKCL-UHFFFAOYSA-N 0 0 449.580 3.540 50 0 IHAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(C)=O)CC2)cc1 ZINC000021796562 523325884 /nfs/dbraw/zinc/32/58/84/523325884.db2.gz HBSFBLXKDNPENB-UHFFFAOYSA-N 0 0 427.508 3.765 50 0 IHAARN CCn1cc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(C)n1 ZINC000020614292 523369871 /nfs/dbraw/zinc/36/98/71/523369871.db2.gz FFTDWWDTSQZMLF-UHFFFAOYSA-N 0 0 429.542 3.620 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000012650195 523427777 /nfs/dbraw/zinc/42/77/77/523427777.db2.gz DFCROWUWQNPBKX-PDGQHHTCSA-N 0 0 430.913 3.744 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)ccc21 ZINC000021938022 523495598 /nfs/dbraw/zinc/49/55/98/523495598.db2.gz CLAJURIMLNMOCP-IBGZPJMESA-N 0 0 443.544 3.517 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)ccc21 ZINC000021646446 523496666 /nfs/dbraw/zinc/49/66/66/523496666.db2.gz AKJLEEQIMDLWMV-LJQANCHMSA-N 0 0 431.602 3.901 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035506637 523500260 /nfs/dbraw/zinc/50/02/60/523500260.db2.gz MKEBVSUJLZHQSC-MRXNPFEDSA-N 0 0 437.721 3.780 50 0 IHAARN COCCCn1c(SCC(=O)N(C)Cc2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000012916397 523501854 /nfs/dbraw/zinc/50/18/54/523501854.db2.gz WDCMNQABBJVKQH-UHFFFAOYSA-N 0 0 434.949 3.979 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1 ZINC000012740336 523575857 /nfs/dbraw/zinc/57/58/57/523575857.db2.gz KWTSXKKNBDORTF-HSZRJFAPSA-N 0 0 436.552 3.880 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035947740 523651271 /nfs/dbraw/zinc/65/12/71/523651271.db2.gz RFDCFPYKGKYCGL-XMMPIXPASA-N 0 0 449.551 3.648 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035948081 523652346 /nfs/dbraw/zinc/65/23/46/523652346.db2.gz KGDWODBEICKSCJ-QHCPKHFHSA-N 0 0 439.531 3.943 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035948811 523653509 /nfs/dbraw/zinc/65/35/09/523653509.db2.gz UZISONVGDQCGQQ-QFIPXVFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)C1CCC1 ZINC000035946733 523654548 /nfs/dbraw/zinc/65/45/48/523654548.db2.gz CHBHSHGBVUUGHX-FQEVSTJZSA-N 0 0 443.544 3.840 50 0 IHAARN CCc1[nH]c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)c1C(=O)OC ZINC000021529549 523661911 /nfs/dbraw/zinc/66/19/11/523661911.db2.gz RQLWVOYYOCYIFF-UHFFFAOYSA-N 0 0 438.553 3.939 50 0 IHAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2Cc1c(F)cccc1Cl ZINC000035477901 523671201 /nfs/dbraw/zinc/67/12/01/523671201.db2.gz ZCQNBZCCYSZCAJ-UHFFFAOYSA-N 0 0 426.879 3.577 50 0 IHAARN CCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000020905916 523685819 /nfs/dbraw/zinc/68/58/19/523685819.db2.gz SUSJCVVXZCZUSX-UHFFFAOYSA-N 0 0 433.552 3.627 50 0 IHAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(Br)cc1Cl ZINC000012884132 523737286 /nfs/dbraw/zinc/73/72/86/523737286.db2.gz RXQNJOULBNLVEM-IBGZPJMESA-N 0 0 448.704 3.650 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)cc1 ZINC000021633465 523757339 /nfs/dbraw/zinc/75/73/39/523757339.db2.gz OMGCOMHCZLRSHJ-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN CC[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467024 523762980 /nfs/dbraw/zinc/76/29/80/523762980.db2.gz QTVJCKCVLURQQM-GOSISDBHSA-N 0 0 447.564 3.615 50 0 IHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(=O)CC(C)C ZINC000036040394 523771080 /nfs/dbraw/zinc/77/10/80/523771080.db2.gz BFQUAVRXJIPBIT-UHFFFAOYSA-N 0 0 449.617 3.767 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012851672 523778830 /nfs/dbraw/zinc/77/88/30/523778830.db2.gz UOGFMGDINNSDGX-OAHLLOKOSA-N 0 0 426.542 3.762 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C12CCCC2 ZINC000044890527 523810635 /nfs/dbraw/zinc/81/06/35/523810635.db2.gz JGZOHVJIVOVJJT-JOCHJYFZSA-N 0 0 435.524 3.782 50 0 IHAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCOC)C3=O)s1 ZINC000021809894 523846933 /nfs/dbraw/zinc/84/69/33/523846933.db2.gz TZQUJQKFJVSGHA-QHCPKHFHSA-N 0 0 431.602 3.965 50 0 IHAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000035504057 523865674 /nfs/dbraw/zinc/86/56/74/523865674.db2.gz CFMOFYKFWQMQKD-LJQANCHMSA-N 0 0 428.536 3.887 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccc(F)c3)[C@H](c3ccco3)C2)cc1 ZINC000035948167 523875151 /nfs/dbraw/zinc/87/51/51/523875151.db2.gz DIGKXKGAWIEAGI-NRFANRHFSA-N 0 0 435.455 3.877 50 0 IHAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC(C)C)cc1 ZINC000035766900 523889706 /nfs/dbraw/zinc/88/97/06/523889706.db2.gz FKXVUBGWBBENDQ-QHCPKHFHSA-N 0 0 442.556 3.523 50 0 IHAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)C(C)(C)C)cc1 ZINC000035766794 523890150 /nfs/dbraw/zinc/89/01/50/523890150.db2.gz VFGKCSORYLNZFE-JOCHJYFZSA-N 0 0 442.556 3.666 50 0 IHAARN COc1ccc(CC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c(OC)c1OC ZINC000012506280 523905813 /nfs/dbraw/zinc/90/58/13/523905813.db2.gz PTPPZKPMVDBZPV-IBGZPJMESA-N 0 0 429.904 3.548 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2F)C(=O)CO3)cc1 ZINC000035886053 523910510 /nfs/dbraw/zinc/91/05/10/523910510.db2.gz ZNQMDGGYKLMSDL-UHFFFAOYSA-N 0 0 434.467 3.937 50 0 IHAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000012585629 523922721 /nfs/dbraw/zinc/92/27/21/523922721.db2.gz WRROOFDSNATPDA-UHFFFAOYSA-N 0 0 430.551 3.883 50 0 IHAARN COc1ccc(CCC(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)cc1 ZINC000012442895 523928148 /nfs/dbraw/zinc/92/81/48/523928148.db2.gz HGTKNZUKAHELAY-UHFFFAOYSA-N 0 0 427.551 3.967 50 0 IHAARN CCc1ccc(CNC(=O)CC2CCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)CC2)cc1 ZINC000035484110 523932174 /nfs/dbraw/zinc/93/21/74/523932174.db2.gz ZGSUYOUPVNZFFL-UHFFFAOYSA-N 0 0 439.556 3.539 50 0 IHAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC000012753456 523936791 /nfs/dbraw/zinc/93/67/91/523936791.db2.gz LZKZFMOUJIUFHG-UHFFFAOYSA-N 0 0 430.526 3.663 50 0 IHAARN CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012796228 523941744 /nfs/dbraw/zinc/94/17/44/523941744.db2.gz NMMVISCETJKKOS-IXDOJHRFSA-N 0 0 442.581 3.548 50 0 IHAARN COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000020602124 523941990 /nfs/dbraw/zinc/94/19/90/523941990.db2.gz VEQNWTNZFHNUDJ-UHFFFAOYSA-N 0 0 449.960 3.524 50 0 IHAARN CCc1ccc(N2C(=O)N(CC(=O)NCCC(C)C)c3ccccc3S2(=O)=O)cc1 ZINC000015826944 523963266 /nfs/dbraw/zinc/96/32/66/523963266.db2.gz PCIGOWNVAPSXME-UHFFFAOYSA-N 0 0 429.542 3.547 50 0 IHAARN CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 ZINC000020604297 523967474 /nfs/dbraw/zinc/96/74/74/523967474.db2.gz YHQOYQQYRQUZET-UHFFFAOYSA-N 0 0 433.537 3.626 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012783130 523971248 /nfs/dbraw/zinc/97/12/48/523971248.db2.gz XWSGHBSKPSKTGB-UHFFFAOYSA-N 0 0 428.492 3.516 50 0 IHAARN COc1ccc(CCNC(=O)c2nc(-c3ccoc3)n(-c3ccc(C)cc3)n2)cc1OC ZINC000034911226 523972630 /nfs/dbraw/zinc/97/26/30/523972630.db2.gz VLYOBZZXJNWGBM-UHFFFAOYSA-N 0 0 432.480 3.825 50 0 IHAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)cc1 ZINC000035535229 523977620 /nfs/dbraw/zinc/97/76/20/523977620.db2.gz TXEHNJOAPFBADN-UHFFFAOYSA-N 0 0 441.487 3.837 50 0 IHAARN COc1ccc(CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C2CC2)cc1 ZINC000012623015 523990003 /nfs/dbraw/zinc/99/00/03/523990003.db2.gz QKKROWZDSYRGMF-UHFFFAOYSA-N 0 0 432.307 3.903 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1F ZINC000012794761 523999874 /nfs/dbraw/zinc/99/98/74/523999874.db2.gz GFPATWMVLQUZDU-UHFFFAOYSA-N 0 0 442.512 3.932 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1F ZINC000012678422 524000910 /nfs/dbraw/zinc/00/09/10/524000910.db2.gz QLABHKLRWMPCEA-UHFFFAOYSA-N 0 0 442.512 3.585 50 0 IHAARN COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCCCC2)=N1 ZINC000012417420 524007430 /nfs/dbraw/zinc/00/74/30/524007430.db2.gz LZGGEGWUPXOOJP-MRXNPFEDSA-N 0 0 432.855 3.895 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccco4)nc23)cc1 ZINC000020516408 524018051 /nfs/dbraw/zinc/01/80/51/524018051.db2.gz AMOMOBVXABBNOM-UHFFFAOYSA-N 0 0 439.522 3.939 50 0 IHAARN CN1c2ccccc2-c2nc(SCC(=O)c3ccc(Cl)cc3)ncc2S1(=O)=O ZINC000020582750 524033522 /nfs/dbraw/zinc/03/35/22/524033522.db2.gz VNXHEBLLVGYAKU-UHFFFAOYSA-N 0 0 431.926 3.911 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)NC(C)C)cc1 ZINC000036043196 524038341 /nfs/dbraw/zinc/03/83/41/524038341.db2.gz CGOUDRDYLGOCMP-OSPHWJPCSA-N 0 0 441.572 3.908 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012792769 524043044 /nfs/dbraw/zinc/04/30/44/524043044.db2.gz KJLIFACHHADNQY-UHFFFAOYSA-N 0 0 447.413 3.588 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 ZINC000033266494 524046969 /nfs/dbraw/zinc/04/69/69/524046969.db2.gz OTFJOOBOUYOBEB-UHFFFAOYSA-N 0 0 441.535 3.938 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000012432244 524048256 /nfs/dbraw/zinc/04/82/56/524048256.db2.gz LTVBMPZFDKRNJM-GOSISDBHSA-N 0 0 436.556 3.889 50 0 IHAARN COc1ccc(CNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 ZINC000035596983 524057876 /nfs/dbraw/zinc/05/78/76/524057876.db2.gz CWSNJIYJYRBOFH-KRWDZBQOSA-N 0 0 436.468 3.563 50 0 IHAARN COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141731 524068481 /nfs/dbraw/zinc/06/84/81/524068481.db2.gz OPULHMZHHHYMNJ-UHFFFAOYSA-N 0 0 430.551 3.820 50 0 IHAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1OC ZINC000012311267 524112459 /nfs/dbraw/zinc/11/24/59/524112459.db2.gz MJAGEVZMGXZAES-IRXDYDNUSA-N 0 0 447.553 3.727 50 0 IHAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc5c(c4)OCO5)c(=O)n3n2)c1 ZINC000035510886 524119379 /nfs/dbraw/zinc/11/93/79/524119379.db2.gz CMZALUPBXZGCDU-UHFFFAOYSA-N 0 0 438.443 3.631 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nc5cccnc5s4)CC3)CC2)c1 ZINC000020996237 524121064 /nfs/dbraw/zinc/12/10/64/524121064.db2.gz AQKQWLWEJCRULS-UHFFFAOYSA-N 0 0 435.597 3.873 50 0 IHAARN Cc1cccc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(Oc3ccc4c(c3)OCO4)n2)c1 ZINC000035989785 524121574 /nfs/dbraw/zinc/12/15/74/524121574.db2.gz ZAOQYZCTZBDRJH-GOSISDBHSA-N 0 0 433.464 3.882 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054185 524122305 /nfs/dbraw/zinc/12/23/05/524122305.db2.gz WXDBQOWCPOURDX-OALUTQOASA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1 ZINC000021702256 524125561 /nfs/dbraw/zinc/12/55/61/524125561.db2.gz YXSLHESYQUQPNC-UHFFFAOYSA-N 0 0 444.582 3.803 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000012752445 524126652 /nfs/dbraw/zinc/12/66/52/524126652.db2.gz VEQNZDNZJKJCFS-OAHLLOKOSA-N 0 0 442.614 3.869 50 0 IHAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)C5CC5)CC4)n23)c1 ZINC000034700292 524127557 /nfs/dbraw/zinc/12/75/57/524127557.db2.gz SCUJXMMKPJWPKR-UHFFFAOYSA-N 0 0 446.942 3.965 50 0 IHAARN Cc1cccc(-n2c(SCc3nccn3Cc3ccccc3)nnc2N2CCOCC2)c1 ZINC000040067316 524140199 /nfs/dbraw/zinc/14/01/99/524140199.db2.gz OFDYIYJZFHEQLV-UHFFFAOYSA-N 0 0 446.580 3.949 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054207 524179065 /nfs/dbraw/zinc/17/90/65/524179065.db2.gz YYBXYMFOHFBSGF-UXHICEINSA-N 0 0 444.959 3.985 50 0 IHAARN COc1cccc([C@H]2[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928096 524188334 /nfs/dbraw/zinc/18/83/34/524188334.db2.gz JURXNDJWBNKHTC-RPWUZVMVSA-N 0 0 427.504 3.850 50 0 IHAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n[nH]1 ZINC000012803928 524191513 /nfs/dbraw/zinc/19/15/13/524191513.db2.gz NAKRXMCZVQQNNZ-GOSISDBHSA-N 0 0 444.944 3.826 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000024611499 524221073 /nfs/dbraw/zinc/22/10/73/524221073.db2.gz IROWAWBUJXETTD-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN Cc1ccc(C2=NC3(CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)NC2=O)cc1 ZINC000020556680 524230034 /nfs/dbraw/zinc/23/00/34/524230034.db2.gz MLMLOFCGJQITIV-UHFFFAOYSA-N 0 0 430.430 3.957 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012923568 524240509 /nfs/dbraw/zinc/24/05/09/524240509.db2.gz BXYFYIIUBOCUQM-MRXNPFEDSA-N 0 0 436.524 3.503 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H](CO)c4ccccc4)cc3)c(=O)oc21 ZINC000020426559 524254716 /nfs/dbraw/zinc/25/47/16/524254716.db2.gz JYSSZIWYJNLSFR-QFIPXVFZSA-N 0 0 445.471 3.697 50 0 IHAARN Cc1cccc(C)c1NC(=O)N(Cc1ccc(OS(C)(=O)=O)cc1)C[C@@H]1CCCO1 ZINC000035777019 524285577 /nfs/dbraw/zinc/28/55/77/524285577.db2.gz WMSMLIKMGGTIEM-FQEVSTJZSA-N 0 0 432.542 3.855 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccccc3OC)c2)cc1 ZINC000014472603 524357591 /nfs/dbraw/zinc/35/75/91/524357591.db2.gz ZDPJLPQOPFUIDQ-UHFFFAOYSA-N 0 0 427.478 3.748 50 0 IHAARN COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)c1C ZINC000041089622 524359017 /nfs/dbraw/zinc/35/90/17/524359017.db2.gz OSYUPNZBMOPOPK-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)C2=CCCC2)CC3)c1 ZINC000012245631 524368839 /nfs/dbraw/zinc/36/88/39/524368839.db2.gz UPGGLWPNMFKHAC-QFIPXVFZSA-N 0 0 449.599 3.907 50 0 IHAARN COc1ccccc1C1=NO[C@H](C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)C1 ZINC000020602007 524373071 /nfs/dbraw/zinc/37/30/71/524373071.db2.gz KTZBKXZQOOEOCK-SFHVURJKSA-N 0 0 446.294 3.774 50 0 IHAARN COc1ccccc1CCC(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562230 524393291 /nfs/dbraw/zinc/39/32/91/524393291.db2.gz WJRDQJOISZAHJK-UHFFFAOYSA-N 0 0 425.916 3.747 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000035558418 524399039 /nfs/dbraw/zinc/39/90/39/524399039.db2.gz CCUMWVOXULMHBO-SANMLTNESA-N 0 0 430.504 3.982 50 0 IHAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccccc2)o1 ZINC000035767854 524419918 /nfs/dbraw/zinc/41/99/18/524419918.db2.gz SBOMVZIPWCYHLX-UHFFFAOYSA-N 0 0 438.549 3.970 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1OC ZINC000015391574 524448663 /nfs/dbraw/zinc/44/86/63/524448663.db2.gz CJYUVGZOKGVRPA-MRXNPFEDSA-N 0 0 444.487 3.863 50 0 IHAARN COc1ccc(NC(=O)C2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)c(OC)c1 ZINC000021724442 524470795 /nfs/dbraw/zinc/47/07/95/524470795.db2.gz RQEPYRNWPABHQS-UHFFFAOYSA-N 0 0 440.475 3.744 50 0 IHAARN COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009666153 524482624 /nfs/dbraw/zinc/48/26/24/524482624.db2.gz SMTUAYSQVZOJBI-UHFFFAOYSA-N 0 0 446.569 3.894 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)c(C)c1 ZINC000015067099 524484519 /nfs/dbraw/zinc/48/45/19/524484519.db2.gz AKTWEDNSHGSREY-QGZVFWFLSA-N 0 0 440.569 3.913 50 0 IHAARN COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000012866992 524502867 /nfs/dbraw/zinc/50/28/67/524502867.db2.gz YYDMMZLWRYIPLV-UHFFFAOYSA-N 0 0 432.542 3.504 50 0 IHAARN COc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000001050998 524508500 /nfs/dbraw/zinc/50/85/00/524508500.db2.gz YCIUOYMMIBSCFH-UHFFFAOYSA-N 0 0 442.589 3.592 50 0 IHAARN COc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000035530272 524540748 /nfs/dbraw/zinc/54/07/48/524540748.db2.gz UVZIHSNFMFCHBV-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4nc(-c5ccccc5)no4)CC3)CC2)c1 ZINC000040926736 524542858 /nfs/dbraw/zinc/54/28/58/524542858.db2.gz CVMHJLPOZIAIFY-UHFFFAOYSA-N 0 0 445.567 3.606 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)CC2)c1C ZINC000033061526 524545383 /nfs/dbraw/zinc/54/53/83/524545383.db2.gz FRGQGEBGTQODGV-UHFFFAOYSA-N 0 0 449.580 3.689 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)CC1 ZINC000010036852 524545926 /nfs/dbraw/zinc/54/59/26/524545926.db2.gz UKRJZIULKXHLDV-UHFFFAOYSA-N 0 0 449.536 3.667 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 ZINC000020715989 524547243 /nfs/dbraw/zinc/54/72/43/524547243.db2.gz JDKOJTQQBNOECK-UHFFFAOYSA-N 0 0 428.330 3.761 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)C[C@H]2C)c1 ZINC000035482577 524549718 /nfs/dbraw/zinc/54/97/18/524549718.db2.gz RTELRHDWEOCQIT-LJQANCHMSA-N 0 0 426.524 3.783 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020530995 524550111 /nfs/dbraw/zinc/55/01/11/524550111.db2.gz UDFOXWOYFUHTNQ-VWLOTQADSA-N 0 0 441.531 3.741 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)C(C)C)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036043712 524550265 /nfs/dbraw/zinc/55/02/65/524550265.db2.gz KXWXBIWJYKMJCV-DHIUTWEWSA-N 0 0 449.595 3.550 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1C ZINC000012295247 524550434 /nfs/dbraw/zinc/55/04/34/524550434.db2.gz IIFDKXPZYZKJHH-UHFFFAOYSA-N 0 0 438.549 3.833 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)C4=CSCCO4)c3)C[C@@H]2C)c1 ZINC000021019389 524552774 /nfs/dbraw/zinc/55/27/74/524552774.db2.gz LPCFRTSHDINYHA-SFHVURJKSA-N 0 0 437.565 3.889 50 0 IHAARN COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1 ZINC000021039741 524565094 /nfs/dbraw/zinc/56/50/94/524565094.db2.gz KPFTXMBWCQMRLO-UHFFFAOYSA-N 0 0 429.568 3.679 50 0 IHAARN COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1OC ZINC000021156651 524580011 /nfs/dbraw/zinc/58/00/11/524580011.db2.gz KKUVFUNZISLHFV-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000022783233 524595729 /nfs/dbraw/zinc/59/57/29/524595729.db2.gz KVJNEYLKKCGSBT-GOSISDBHSA-N 0 0 428.964 3.540 50 0 IHAARN COc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC ZINC000012773827 524609030 /nfs/dbraw/zinc/60/90/30/524609030.db2.gz ZCMMYPSPWLRTJJ-GOSISDBHSA-N 0 0 435.318 3.859 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000012638928 524628562 /nfs/dbraw/zinc/62/85/62/524628562.db2.gz YGRKXGQUTNBURX-MRXNPFEDSA-N 0 0 447.491 3.793 50 0 IHAARN Cc1ccc(CSCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 ZINC000012522926 524643042 /nfs/dbraw/zinc/64/30/42/524643042.db2.gz BLJZWIFPOMEBQP-UHFFFAOYSA-N 0 0 441.597 3.540 50 0 IHAARN C[C@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@H](C)O1 ZINC000022302114 524645015 /nfs/dbraw/zinc/64/50/15/524645015.db2.gz GGOLRGZAHBNXFS-KBPBESRZSA-N 0 0 432.571 3.517 50 0 IHAARN COc1ccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1OC ZINC000035596772 524655327 /nfs/dbraw/zinc/65/53/27/524655327.db2.gz RJFALKRKTBSPST-UHFFFAOYSA-N 0 0 433.511 3.560 50 0 IHAARN COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)c(OC)c1 ZINC000001173976 524665060 /nfs/dbraw/zinc/66/50/60/524665060.db2.gz BPIKGIUZVRHLAW-UHFFFAOYSA-N 0 0 425.304 3.602 50 0 IHAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012898849 524687721 /nfs/dbraw/zinc/68/77/21/524687721.db2.gz DQUGLYWBNIXBIT-QGZVFWFLSA-N 0 0 444.535 3.730 50 0 biogenic IHAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000035769061 524690755 /nfs/dbraw/zinc/69/07/55/524690755.db2.gz QHGFGERRZOHBRZ-UHFFFAOYSA-N 0 0 444.579 3.858 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2 ZINC000021807646 524746853 /nfs/dbraw/zinc/74/68/53/524746853.db2.gz USXABFYYYWGUTR-UHFFFAOYSA-N 0 0 433.899 3.647 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000036059405 524898173 /nfs/dbraw/zinc/89/81/73/524898173.db2.gz ZEKZFWJNZZTTCZ-SFTDATJTSA-N 0 0 440.515 3.711 50 0 IHAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012564469 524898942 /nfs/dbraw/zinc/89/89/42/524898942.db2.gz ALBVDGQTLRITGL-SFHVURJKSA-N 0 0 435.402 3.989 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000012361758 524902558 /nfs/dbraw/zinc/90/25/58/524902558.db2.gz HPXJPFNHTXEYEE-OAQYLSRUSA-N 0 0 434.464 3.577 50 0 IHAARN COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3cccc(C)c3)nc21 ZINC000020743818 524924241 /nfs/dbraw/zinc/92/42/41/524924241.db2.gz FLRMXTQREMIWNW-UHFFFAOYSA-N 0 0 441.553 3.601 50 0 IHAARN C[C@H](NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1)c1ccc(F)cc1 ZINC000022912342 524955171 /nfs/dbraw/zinc/95/51/71/524955171.db2.gz ZDDCDWMAKPFSRQ-AWEZNQCLSA-N 0 0 440.382 3.645 50 0 IHAARN COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(C)(C)C)c1 ZINC000013145919 524967585 /nfs/dbraw/zinc/96/75/85/524967585.db2.gz HUNSFKVPFRDKDJ-QFIPXVFZSA-N 0 0 440.584 3.757 50 0 IHAARN C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000022316899 524971183 /nfs/dbraw/zinc/97/11/83/524971183.db2.gz QPWJSNFLFRUKAG-LBPRGKRZSA-N 0 0 449.381 3.839 50 0 IHAARN COc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020462883 524988561 /nfs/dbraw/zinc/98/85/61/524988561.db2.gz WHBVLGBAUQVBMK-UHFFFAOYSA-N 0 0 432.571 3.658 50 0 IHAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)nn1 ZINC000022493640 525003092 /nfs/dbraw/zinc/00/30/92/525003092.db2.gz SUHKETAFBKXCKS-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1OC ZINC000024707962 525015762 /nfs/dbraw/zinc/01/57/62/525015762.db2.gz RMOQYGBDAVMZNE-UHFFFAOYSA-N 0 0 449.916 3.761 50 0 IHAARN Cc1ccccc1-c1noc(C2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)n1 ZINC000035375855 525019501 /nfs/dbraw/zinc/01/95/01/525019501.db2.gz KDTIOPWWNZSZFN-FQEVSTJZSA-N 0 0 436.512 3.799 50 0 IHAARN Cc1ccccc1-c1noc(N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)n1 ZINC000035374861 525021052 /nfs/dbraw/zinc/02/10/52/525021052.db2.gz IUSRCNXNFOOPGN-UHFFFAOYSA-N 0 0 431.540 3.610 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000012361411 525045243 /nfs/dbraw/zinc/04/52/43/525045243.db2.gz CFASXMJVKVUNQB-OAQYLSRUSA-N 0 0 432.929 3.953 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@@H](C)O1 ZINC000012762956 525052417 /nfs/dbraw/zinc/05/24/17/525052417.db2.gz LKAXRLXMUFQNAO-VXGBXAGGSA-N 0 0 444.887 3.668 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1F ZINC000022767493 525065084 /nfs/dbraw/zinc/06/50/84/525065084.db2.gz ZIHLYGQBHAAIMR-OAQYLSRUSA-N 0 0 446.569 3.974 50 0 IHAARN Cc1cc(N2CCN(Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)nc(C(C)C)n1 ZINC000022011731 525081827 /nfs/dbraw/zinc/08/18/27/525081827.db2.gz AUEVCONURIAYEP-UHFFFAOYSA-N 0 0 437.617 3.696 50 0 IHAARN C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2 ZINC000020454919 525094095 /nfs/dbraw/zinc/09/40/95/525094095.db2.gz VRVZJJVBVVSONK-GOSISDBHSA-N 0 0 437.975 3.800 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000012798261 525110384 /nfs/dbraw/zinc/11/03/84/525110384.db2.gz QZDIJEALAJNNMM-CYBMUJFWSA-N 0 0 434.323 3.727 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2cn(C(C)C)cc(C(=O)N(C)CC(C)C)c2=O)cc1 ZINC000012281915 525143808 /nfs/dbraw/zinc/14/38/08/525143808.db2.gz FQCOMHSBXJIJAZ-QGZVFWFLSA-N 0 0 427.545 3.657 50 0 IHAARN Cc1ccccc1COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(CO)cc1=O ZINC000012231271 525177034 /nfs/dbraw/zinc/17/70/34/525177034.db2.gz QRDIORFCQQPVHX-UHFFFAOYSA-N 0 0 446.425 3.886 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000012322307 525179883 /nfs/dbraw/zinc/17/98/83/525179883.db2.gz VBJUVLGWRXVTCM-UHFFFAOYSA-N 0 0 435.549 3.688 50 0 IHAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021709046 525206156 /nfs/dbraw/zinc/20/61/56/525206156.db2.gz PXYDRKHGSSTFCS-VIFPVBQESA-N 0 0 427.201 3.528 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 ZINC000022294885 525212717 /nfs/dbraw/zinc/21/27/17/525212717.db2.gz NHUPRFMOZKTJOB-HZPDHXFCSA-N 0 0 440.569 3.522 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)ccc1Br ZINC000012662079 525215254 /nfs/dbraw/zinc/21/52/54/525215254.db2.gz AKWHVGTZAXRADV-QFBILLFUSA-N 0 0 429.270 3.556 50 0 biogenic IHAARN Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)S(C)(=O)=O ZINC000012916699 525218024 /nfs/dbraw/zinc/21/80/24/525218024.db2.gz HHCQEHAAPZQVCW-UHFFFAOYSA-N 0 0 430.526 3.831 50 0 IHAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1 ZINC000035586468 525246546 /nfs/dbraw/zinc/24/65/46/525246546.db2.gz SENCVILRMNWWSC-UHFFFAOYSA-N 0 0 432.310 3.690 50 0 IHAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000012745217 525265023 /nfs/dbraw/zinc/26/50/23/525265023.db2.gz FKVGWWRMICYANX-LJQANCHMSA-N 0 0 436.537 3.670 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccn1 ZINC000012565479 525283747 /nfs/dbraw/zinc/28/37/47/525283747.db2.gz SFSDHRHDDYGDJP-OLZOCXBDSA-N 0 0 428.583 3.758 50 0 IHAARN CS(=O)(=O)c1ncc(CN2CCC[C@H](c3ccccc3)C2)n1Cc1ccccc1F ZINC000020998521 525284010 /nfs/dbraw/zinc/28/40/10/525284010.db2.gz GETALRFPEDVHNQ-IBGZPJMESA-N 0 0 427.545 3.854 50 0 IHAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621470 525287633 /nfs/dbraw/zinc/28/76/33/525287633.db2.gz QIWVAKXXLGRKRW-IERDGZPVSA-N 0 0 444.503 3.732 50 0 IHAARN Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc(Cl)s4)CC3)n2)cc1 ZINC000022792659 525326379 /nfs/dbraw/zinc/32/63/79/525326379.db2.gz GAACDHVCYGWFOK-UHFFFAOYSA-N 0 0 429.981 3.539 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1cccc2ccccc21 ZINC000012688396 525329419 /nfs/dbraw/zinc/32/94/19/525329419.db2.gz DMWFIZKNKPBENR-OAHLLOKOSA-N 0 0 446.536 3.585 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1Br ZINC000012803824 525336179 /nfs/dbraw/zinc/33/61/79/525336179.db2.gz GKXQCWOBXALJFQ-CYBMUJFWSA-N 0 0 437.359 3.652 50 0 IHAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012920256 525352978 /nfs/dbraw/zinc/35/29/78/525352978.db2.gz QADZXSYUYNKTKN-GOSISDBHSA-N 0 0 426.582 3.762 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000015831081 525356063 /nfs/dbraw/zinc/35/60/63/525356063.db2.gz VYWWLYBBFDSTMH-GOSISDBHSA-N 0 0 439.936 3.691 50 0 IHAARN COc1ccc([C@H](CNC(=O)COc2ccccc2C(N)=O)c2c[nH]c3ccccc32)cc1 ZINC000012747429 525356731 /nfs/dbraw/zinc/35/67/31/525356731.db2.gz AYDMCYKVFJFOEI-NRFANRHFSA-N 0 0 443.503 3.603 50 0 IHAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000012998648 525408120 /nfs/dbraw/zinc/40/81/20/525408120.db2.gz XMFQXNHAWREBCS-JOCHJYFZSA-N 0 0 445.585 3.515 50 0 IHAARN COc1ccc([C@H]2CCCN2CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000012796486 525412081 /nfs/dbraw/zinc/41/20/81/525412081.db2.gz AYGFGNSZNSXOQQ-GBXCKJPGSA-N 0 0 437.584 3.746 50 0 IHAARN COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000021583492 525413365 /nfs/dbraw/zinc/41/33/65/525413365.db2.gz HZVCNZULOCBITH-HXUWFJFHSA-N 0 0 445.947 3.557 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 ZINC000012552737 525459282 /nfs/dbraw/zinc/45/92/82/525459282.db2.gz WFQIWGFXPDUVTM-INIZCTEOSA-N 0 0 428.554 3.814 50 0 IHAARN COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)c2c1 ZINC000023334349 525488899 /nfs/dbraw/zinc/48/88/99/525488899.db2.gz MULQUEMOAAIABB-UHFFFAOYSA-N 0 0 430.526 3.762 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000016488215 525490812 /nfs/dbraw/zinc/49/08/12/525490812.db2.gz YHBFGRQKSCMPPZ-UHFFFAOYSA-N 0 0 448.588 3.927 50 0 IHAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O ZINC000012523228 525513042 /nfs/dbraw/zinc/51/30/42/525513042.db2.gz NGAHPAQTJJMACX-BXKMTCNYSA-N 0 0 426.561 3.752 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)N3CCN(C(=O)N4CCCC4)CC3)c2oc1-c1ccccc1 ZINC000012752091 525521250 /nfs/dbraw/zinc/52/12/50/525521250.db2.gz IDRCBGNWOSYCDN-UHFFFAOYSA-N 0 0 445.519 3.742 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000021705914 525528022 /nfs/dbraw/zinc/52/80/22/525528022.db2.gz XLGQYLGVWCQNQW-XUSGNXJCSA-N 0 0 432.307 3.738 50 0 IHAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cnn1-c1ccc(Br)cc1 ZINC000012883605 525554482 /nfs/dbraw/zinc/55/44/82/525554482.db2.gz YPGKCHXBIDAOPX-UHFFFAOYSA-N 0 0 445.292 3.793 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)c(F)c3)n(C)c(=O)c1n2C ZINC000033287637 525604475 /nfs/dbraw/zinc/60/44/75/525604475.db2.gz PZUXNKFMLXKYPT-UHFFFAOYSA-N 0 0 440.500 3.612 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2CN(Cc2ccccc2)C1=O ZINC000035873152 525611188 /nfs/dbraw/zinc/61/11/88/525611188.db2.gz SATSIRDADCYNHL-INIZCTEOSA-N 0 0 430.460 3.977 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1 ZINC000035396717 525629676 /nfs/dbraw/zinc/62/96/76/525629676.db2.gz VVPSNXJAIOBQBS-UHFFFAOYSA-N 0 0 446.475 3.523 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000035396711 525630031 /nfs/dbraw/zinc/63/00/31/525630031.db2.gz GKZKCIQNSJWWNL-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3C)cc(=O)n2o1 ZINC000041089620 525671962 /nfs/dbraw/zinc/67/19/62/525671962.db2.gz HZUZVNLUNKWIIW-UHFFFAOYSA-N 0 0 431.448 3.822 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4cccc(C)c4C)c3)cc(=O)n2o1 ZINC000035378579 525674322 /nfs/dbraw/zinc/67/43/22/525674322.db2.gz VQNPJDNCQYGLSC-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)[C@H](C)Oc4cccc(C)c4)cc3)cc(=O)n2o1 ZINC000035378609 525674590 /nfs/dbraw/zinc/67/45/90/525674590.db2.gz JMPKMPMSTHORHJ-KRWDZBQOSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4cccc(C)c4)s3)cc(=O)n2o1 ZINC000041089669 525675801 /nfs/dbraw/zinc/67/58/01/525675801.db2.gz TVJSRWANKYXKLL-UHFFFAOYSA-N 0 0 428.499 3.692 50 0 IHAARN Cc1c(CCC(=O)NCC(C)C)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000021807381 525698246 /nfs/dbraw/zinc/69/82/46/525698246.db2.gz WOZIAJATNPAWGJ-UHFFFAOYSA-N 0 0 443.551 3.620 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616423 525703813 /nfs/dbraw/zinc/70/38/13/525703813.db2.gz FYIHDFXJMNVSOM-HNNXBMFYSA-N 0 0 432.528 3.584 50 0 IHAARN C[C@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000020869084 525706712 /nfs/dbraw/zinc/70/67/12/525706712.db2.gz MGGFAKDGGPBXAU-HNNXBMFYSA-N 0 0 430.346 3.667 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccc(F)cc2)c(C)n3C)c1 ZINC000035448504 525712353 /nfs/dbraw/zinc/71/23/53/525712353.db2.gz QCGGDGJVHLUEFN-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cs2)c1 ZINC000022915471 525724177 /nfs/dbraw/zinc/72/41/77/525724177.db2.gz FEEKMWXNYHBYDG-UHFFFAOYSA-N 0 0 440.544 3.714 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325535 525724518 /nfs/dbraw/zinc/72/45/18/525724518.db2.gz JZDGXUUHXBUQBL-LJQANCHMSA-N 0 0 443.956 3.802 50 0 IHAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)NCCc3ccc(C)cc3)c(C)o2)c1 ZINC000015944386 525726394 /nfs/dbraw/zinc/72/63/94/525726394.db2.gz CVCBYSGMOOIQEH-PMERELPUSA-N 0 0 426.538 3.575 50 0 IHAARN C[C@@H]1c2ccsc2CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000012755017 525736253 /nfs/dbraw/zinc/73/62/53/525736253.db2.gz YPEDWMWNXVGEGO-GFCCVEGCSA-N 0 0 432.343 3.757 50 0 IHAARN COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)c1OC ZINC000021647875 525742976 /nfs/dbraw/zinc/74/29/76/525742976.db2.gz XZFRAZOVVHJTDJ-INIZCTEOSA-N 0 0 443.525 3.631 50 0 IHAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)CCc4ccccn4)c3C3CC3)n2)o1 ZINC000014983841 525762371 /nfs/dbraw/zinc/76/23/71/525762371.db2.gz SBWKGLIIKYFKHA-UHFFFAOYSA-N 0 0 428.496 3.818 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012902305 525766435 /nfs/dbraw/zinc/76/64/35/525766435.db2.gz BTKIMSVJYUQOQY-UHFFFAOYSA-N 0 0 427.854 3.854 50 0 IHAARN COc1cccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)c1 ZINC000020579717 525840956 /nfs/dbraw/zinc/84/09/56/525840956.db2.gz GDVPPMVRZSAWLH-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1ccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)C5CC5)CC4)n23)cc1 ZINC000034700102 525862692 /nfs/dbraw/zinc/86/26/92/525862692.db2.gz HORVSPXUZOEJMI-UHFFFAOYSA-N 0 0 446.942 3.965 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)c(C)c4)CC3)n2)cc1 ZINC000012760291 525877928 /nfs/dbraw/zinc/87/79/28/525877928.db2.gz LLMICZNEFKCOCO-UHFFFAOYSA-N 0 0 440.931 3.730 50 0 IHAARN C[C@@H](OC(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000016050801 525884282 /nfs/dbraw/zinc/88/42/82/525884282.db2.gz MGVPKEDLJJCVLC-HVUAZKLTSA-N 0 0 436.233 3.901 50 0 IHAARN C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl)C(N)=O ZINC000012757796 525889064 /nfs/dbraw/zinc/88/90/64/525889064.db2.gz KJQRBLILRSPUEB-AWEZNQCLSA-N 0 0 434.883 3.831 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3c2nc[nH]c3=O)cc1 ZINC000012462122 525899764 /nfs/dbraw/zinc/89/97/64/525899764.db2.gz NPGUTJIIJKEPJT-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 biogenic,in-vitro IHAARN Cc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc3cc(Cl)ccc3c2=O)cc1 ZINC000012760447 525901737 /nfs/dbraw/zinc/90/17/37/525901737.db2.gz CFBICUSRGMFJFO-QGZVFWFLSA-N 0 0 444.944 3.659 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N(C)[C@@H]4CCOC4)c(C)c32)c1 ZINC000012190325 525903082 /nfs/dbraw/zinc/90/30/82/525903082.db2.gz WAXCUKUWLNFLOS-MRXNPFEDSA-N 0 0 426.542 3.524 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C(=O)NC(N)=O)C(C)C)nc3cc(Cl)ccc3c2=O)cc1 ZINC000012760452 525903329 /nfs/dbraw/zinc/90/33/29/525903329.db2.gz CFBICUSRGMFJFO-KRWDZBQOSA-N 0 0 444.944 3.659 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012906799 525931042 /nfs/dbraw/zinc/93/10/42/525931042.db2.gz VQTGPZCCVQVVHC-AWEZNQCLSA-N 0 0 428.872 3.965 50 0 IHAARN COc1cccc(CN2CC(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021662951 525933126 /nfs/dbraw/zinc/93/31/26/525933126.db2.gz TWXDMTUSOKDJFT-UHFFFAOYSA-N 0 0 440.496 3.572 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCc1ccccc1Cl)nc2C ZINC000020563489 525937222 /nfs/dbraw/zinc/93/72/22/525937222.db2.gz CDRKXMUYHFXCCO-UHFFFAOYSA-N 0 0 435.915 3.559 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C(=O)NCc3ccco3)CC1)nnc2C ZINC000020564061 525937503 /nfs/dbraw/zinc/93/75/03/525937503.db2.gz IRUUTEIGZMHZDU-UHFFFAOYSA-N 0 0 430.512 3.558 50 0 IHAARN Cc1cn2c(nc(COc3ccccc3NC(=O)COc3ccccc3C)cc2=O)s1 ZINC000041085747 525941793 /nfs/dbraw/zinc/94/17/93/525941793.db2.gz MZTLGVXMJAUHRJ-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1cn2c(nc(COc3ccccc3NC(=O)COc3ccc(C)cc3)cc2=O)s1 ZINC000041085750 525941936 /nfs/dbraw/zinc/94/19/36/525941936.db2.gz SIDRHNBSDYLUJN-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1cn2c(nc(COc3ccc(NC(=O)COc4ccccc4C)cc3)cc2=O)s1 ZINC000041085609 525941952 /nfs/dbraw/zinc/94/19/52/525941952.db2.gz XHKPHDSRKNTIOE-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000012800564 525956742 /nfs/dbraw/zinc/95/67/42/525956742.db2.gz FRGRJQVDPGDRSM-ZWKOTPCHSA-N 0 0 441.487 3.833 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCSCC3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000035503840 525962039 /nfs/dbraw/zinc/96/20/39/525962039.db2.gz MRBCMLBEWSAVMV-UHFFFAOYSA-N 0 0 442.522 3.591 50 0 IHAARN Cc1ccc([C@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 ZINC000015447887 525963221 /nfs/dbraw/zinc/96/32/21/525963221.db2.gz QELFSOSJMFGCGH-QHCPKHFHSA-N 0 0 432.549 3.631 50 0 IHAARN COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)c1 ZINC000035530563 525964142 /nfs/dbraw/zinc/96/41/42/525964142.db2.gz FRQXDOSXZVNAQD-UHFFFAOYSA-N 0 0 441.528 3.663 50 0 IHAARN COc1cccc(CNC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000035448742 525967486 /nfs/dbraw/zinc/96/74/86/525967486.db2.gz MYTXXRJXOLPXNT-UHFFFAOYSA-N 0 0 444.535 3.574 50 0 IHAARN COc1cccc(CNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c1OC ZINC000021540221 525972504 /nfs/dbraw/zinc/97/25/04/525972504.db2.gz MQWYYTHARUFJLJ-UHFFFAOYSA-N 0 0 435.505 3.527 50 0 IHAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533648 525973759 /nfs/dbraw/zinc/97/37/59/525973759.db2.gz NNFALVQFHHWAHO-AWEZNQCLSA-N 0 0 443.598 3.740 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000012553041 525974550 /nfs/dbraw/zinc/97/45/50/525974550.db2.gz DFUVODKBJXOCKE-UHFFFAOYSA-N 0 0 431.521 3.746 50 0 IHAARN COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885298 525998409 /nfs/dbraw/zinc/99/84/09/525998409.db2.gz GKOGMENVDPUOHB-IBGZPJMESA-N 0 0 446.507 3.682 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000022188539 526000631 /nfs/dbraw/zinc/00/06/31/526000631.db2.gz XVEUTPDBARXEFW-CQSZACIVSA-N 0 0 444.507 3.860 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)nn1-c1ccccc1C ZINC000035911638 526037062 /nfs/dbraw/zinc/03/70/62/526037062.db2.gz GKGKBOSRLDAVSM-UHFFFAOYSA-N 0 0 449.580 3.849 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCCCC4)n3c2=O)nn1-c1ccccc1 ZINC000035911551 526037995 /nfs/dbraw/zinc/03/79/95/526037995.db2.gz IEWZPNPRMIIGGN-UHFFFAOYSA-N 0 0 447.564 3.781 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)NCc4cccc(C(F)(F)F)c4)c3=O)c2c1 ZINC000035424221 526110596 /nfs/dbraw/zinc/11/05/96/526110596.db2.gz HMYXUYFUEFBXHO-UHFFFAOYSA-N 0 0 428.414 3.912 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 ZINC000012863052 526112783 /nfs/dbraw/zinc/11/27/83/526112783.db2.gz JWIVKONQUQCPKL-INIZCTEOSA-N 0 0 425.558 3.556 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2C[C@H]3CSCN3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000035340193 526130694 /nfs/dbraw/zinc/13/06/94/526130694.db2.gz BCTXMWHCLXONCY-VPKVUBIPSA-N 0 0 425.579 3.614 50 0 biogenic IHAARN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000036041215 526138436 /nfs/dbraw/zinc/13/84/36/526138436.db2.gz CMWHGBRRAVYGOF-XZOQPEGZSA-N 0 0 442.515 3.896 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000012910295 526169553 /nfs/dbraw/zinc/16/95/53/526169553.db2.gz LRTJKSRCSUUEIN-INIZCTEOSA-N 0 0 444.373 3.601 50 0 IHAARN COc1cccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)c1 ZINC000020603388 526171719 /nfs/dbraw/zinc/17/17/19/526171719.db2.gz WHNGNKMJTFBXCZ-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000022298661 526176558 /nfs/dbraw/zinc/17/65/58/526176558.db2.gz GHFGEPHVCAIRPP-WMLDXEAASA-N 0 0 438.528 3.767 50 0 IHAARN CSc1nc(C(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000012325694 526208989 /nfs/dbraw/zinc/20/89/89/526208989.db2.gz FHIXTDCUAOINOA-UHFFFAOYSA-N 0 0 429.489 3.759 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nn2cc(-c3ccccc3)nc2s1 ZINC000012520802 526216228 /nfs/dbraw/zinc/21/62/28/526216228.db2.gz HMEBNUPEWRAGPO-HNNXBMFYSA-N 0 0 446.536 3.658 50 0 IHAARN COc1cccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)C2)c1 ZINC000012707701 526235529 /nfs/dbraw/zinc/23/55/29/526235529.db2.gz NDAARTHTKACQTQ-SFHVURJKSA-N 0 0 440.931 3.920 50 0 IHAARN Cc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3O)cc2c1 ZINC000022024203 526246192 /nfs/dbraw/zinc/24/61/92/526246192.db2.gz AAIJCASXWXJJBK-UHFFFAOYSA-N 0 0 425.510 3.594 50 0 IHAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)s1 ZINC000012883696 526253545 /nfs/dbraw/zinc/25/35/45/526253545.db2.gz ZJODJORZTNKVNP-UHFFFAOYSA-N 0 0 433.382 3.818 50 0 IHAARN C[C@H]1CCCC[C@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 ZINC000009662166 526263158 /nfs/dbraw/zinc/26/31/58/526263158.db2.gz FZJXJELKEJJQFU-HNAYVOBHSA-N 0 0 433.541 3.946 50 0 IHAARN O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017156406 526286714 /nfs/dbraw/zinc/28/67/14/526286714.db2.gz DRRWEFQLMBZKLY-UHFFFAOYSA-N 0 0 435.343 3.939 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NN3CCOCC3)cc12 ZINC000012797850 526291093 /nfs/dbraw/zinc/29/10/93/526291093.db2.gz QVPMSEUTWIFFDB-UHFFFAOYSA-N 0 0 425.341 3.738 50 0 IHAARN O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012900527 526307102 /nfs/dbraw/zinc/30/71/02/526307102.db2.gz CLPRRILOWUFJJW-HOCLYGCPSA-N 0 0 436.482 3.541 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(F)c3)c12 ZINC000012804607 526308695 /nfs/dbraw/zinc/30/86/95/526308695.db2.gz XCOBXGZHUCQJGL-INIZCTEOSA-N 0 0 442.516 3.677 50 0 IHAARN O=C(CCC1=NNC(=O)CC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000012433123 526393894 /nfs/dbraw/zinc/39/38/94/526393894.db2.gz PMUAMBHDMVDKLB-DEOSSOPVSA-N 0 0 436.462 3.966 50 0 IHAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)cc4)cc3)nn12 ZINC000012854444 526424508 /nfs/dbraw/zinc/42/45/08/526424508.db2.gz BTCALODZBICKHM-UHFFFAOYSA-N 0 0 428.315 3.854 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(c2ccccc2F)CC1 ZINC000016275524 526433125 /nfs/dbraw/zinc/43/31/25/526433125.db2.gz QMDUKSVJZKNZLR-UHFFFAOYSA-N 0 0 445.494 3.704 50 0 IHAARN O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024564307 526437329 /nfs/dbraw/zinc/43/73/29/526437329.db2.gz HTTYVHNWRYDORX-JOCHJYFZSA-N 0 0 437.588 3.837 50 0 IHAARN O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)C1CCCCC1 ZINC000021714066 526453772 /nfs/dbraw/zinc/45/37/72/526453772.db2.gz WERIZBIXEKMTJL-LJQANCHMSA-N 0 0 429.611 3.951 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n12 ZINC000021632874 526455039 /nfs/dbraw/zinc/45/50/39/526455039.db2.gz FKFSQBHPUPSNLO-UHFFFAOYSA-N 0 0 425.510 3.940 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc(=O)n12 ZINC000021632813 526455388 /nfs/dbraw/zinc/45/53/88/526455388.db2.gz FJGHGHRIPBFBCK-UHFFFAOYSA-N 0 0 425.491 3.735 50 0 IHAARN Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cc(=O)n12 ZINC000021632982 526455514 /nfs/dbraw/zinc/45/55/14/526455514.db2.gz SXAPAIKXWLRGDX-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(=O)n12 ZINC000021632800 526455573 /nfs/dbraw/zinc/45/55/73/526455573.db2.gz CKMCNWKBLFNSRV-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000021247729 526469464 /nfs/dbraw/zinc/46/94/64/526469464.db2.gz FOKKCLWXMYMJAR-UHFFFAOYSA-N 0 0 437.477 3.908 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012522719 526479466 /nfs/dbraw/zinc/47/94/66/526479466.db2.gz LSLSSNRTTHBCGM-IYBDPMFKSA-N 0 0 435.446 3.585 50 0 IHAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(I)cc1 ZINC000012859234 526480027 /nfs/dbraw/zinc/48/00/27/526480027.db2.gz PKRJOXFRMUYKJS-UHFFFAOYSA-N 0 0 438.290 3.759 50 0 IHAARN Cc1noc(C)c1CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000021767665 526483221 /nfs/dbraw/zinc/48/32/21/526483221.db2.gz RROLZFBBLMJHOK-UHFFFAOYSA-N 0 0 439.537 3.982 50 0 IHAARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000020902068 526492179 /nfs/dbraw/zinc/49/21/79/526492179.db2.gz UEEDRULRMFCDEZ-QFIPXVFZSA-N 0 0 434.927 3.589 50 0 IHAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F ZINC000022766776 526494857 /nfs/dbraw/zinc/49/48/57/526494857.db2.gz PFYXQDZUKHBZHG-NRFANRHFSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000020993288 526496974 /nfs/dbraw/zinc/49/69/74/526496974.db2.gz AKCWWWNFIYPBHH-UHFFFAOYSA-N 0 0 433.489 3.628 50 0 IHAARN O=C(NC[C@@H]1CCCO1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158915 526516535 /nfs/dbraw/zinc/51/65/35/526516535.db2.gz GLRDETLTOBFQHN-NRFANRHFSA-N 0 0 436.531 3.735 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012770348 526537583 /nfs/dbraw/zinc/53/75/83/526537583.db2.gz RDKBWDLKJXWKRC-UHFFFAOYSA-N 0 0 449.743 3.566 50 0 IHAARN Cc1nnc2nc(SCC(=O)NCc3ccc(C)cc3)n(-c3cc(C)ccc3C)c(N)c1-2 ZINC000020759311 526540389 /nfs/dbraw/zinc/54/03/89/526540389.db2.gz KVHZYHRVPRBYLR-UHFFFAOYSA-N 0 0 446.580 3.870 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012576121 526553655 /nfs/dbraw/zinc/55/36/55/526553655.db2.gz SIURJFLJIDPLBI-FQEVSTJZSA-N 0 0 445.567 3.544 50 0 IHAARN O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccn3)C[C@@H]12)N1CCCC1 ZINC000035907883 526567874 /nfs/dbraw/zinc/56/78/74/526567874.db2.gz UAELACLMJWRKMK-ICSRJNTNSA-N 0 0 430.474 3.590 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F ZINC000022908173 526582692 /nfs/dbraw/zinc/58/26/92/526582692.db2.gz QSUWRWKQGQGRGO-HXUWFJFHSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000012448754 526604629 /nfs/dbraw/zinc/60/46/29/526604629.db2.gz VMIBTSSSLIMMDA-FQEVSTJZSA-N 0 0 429.423 3.513 50 0 IHAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012566969 526633334 /nfs/dbraw/zinc/63/33/34/526633334.db2.gz JPCQZSNMVDQOKP-UHFFFAOYSA-N 0 0 438.574 3.660 50 0 IHAARN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4c(F)ccc(F)c4F)CC3)O2)cs1 ZINC000012099168 526649116 /nfs/dbraw/zinc/64/91/16/526649116.db2.gz UOSGBZQXRKNWJR-AWEZNQCLSA-N 0 0 439.503 3.812 50 0 IHAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012870027 526653154 /nfs/dbraw/zinc/65/31/54/526653154.db2.gz ZKHZABQLTZPGRH-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCc2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000035510601 526689751 /nfs/dbraw/zinc/68/97/51/526689751.db2.gz VIKNJMOCDXUKTC-UHFFFAOYSA-N 0 0 428.460 3.646 50 0 IHAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000012896617 526690773 /nfs/dbraw/zinc/69/07/73/526690773.db2.gz NJQGIGHCTLVGJD-UHFFFAOYSA-N 0 0 434.442 3.794 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000036041219 526700235 /nfs/dbraw/zinc/70/02/35/526700235.db2.gz OGCRIYVBNPFOCM-RTWAWAEBSA-N 0 0 446.478 3.727 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531210 526701371 /nfs/dbraw/zinc/70/13/71/526701371.db2.gz JEYVZWDFQZPXDI-UHFFFAOYSA-N 0 0 448.504 3.885 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000012847791 526701996 /nfs/dbraw/zinc/70/19/96/526701996.db2.gz QEUXTBPRMWXTLL-SUMWQHHRSA-N 0 0 434.374 3.795 50 0 IHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCCc1ccc(F)cc1 ZINC000012750560 526704868 /nfs/dbraw/zinc/70/48/68/526704868.db2.gz AUQMEUICJAEZBP-UHFFFAOYSA-N 0 0 430.476 3.519 50 0 IHAARN O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000020730583 526706004 /nfs/dbraw/zinc/70/60/04/526706004.db2.gz PTCNFEUKJYLHHI-FOKLQQMPSA-N 0 0 446.434 3.637 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(Cc1ccccc1)c1ccccc1 ZINC000022059476 526714301 /nfs/dbraw/zinc/71/43/01/526714301.db2.gz TZDFZSQTZPJONX-AREMUKBSSA-N 0 0 425.488 3.613 50 0 IHAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000012846525 526718143 /nfs/dbraw/zinc/71/81/43/526718143.db2.gz GTAIDFGUQCFWCY-IRXDYDNUSA-N 0 0 445.313 3.501 50 0 IHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2)N1CCN(Cc2ccccc2)CC1 ZINC000035377224 526725197 /nfs/dbraw/zinc/72/51/97/526725197.db2.gz SNQCXXUAELZUHX-UHFFFAOYSA-N 0 0 441.531 3.570 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000020534828 526728809 /nfs/dbraw/zinc/72/88/09/526728809.db2.gz YQITWXXPISFHLE-UHFFFAOYSA-N 0 0 429.860 3.583 50 0 IHAARN O=C(NCc1ccccc1F)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012748896 526750748 /nfs/dbraw/zinc/75/07/48/526750748.db2.gz FFIUCHCCYUAVLB-FXAWDEMLSA-N 0 0 449.345 3.795 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)Nc1cccc(F)c1 ZINC000012785134 526764950 /nfs/dbraw/zinc/76/49/50/526764950.db2.gz PSPVOYNFUPPUOO-UHFFFAOYSA-N 0 0 425.435 3.621 50 0 IHAARN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000022789498 526774244 /nfs/dbraw/zinc/77/42/44/526774244.db2.gz QAWJPNPNKJTBQU-SANMLTNESA-N 0 0 447.604 3.706 50 0 IHAARN O=C(NCc1ccncc1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034917013 526793048 /nfs/dbraw/zinc/79/30/48/526793048.db2.gz GCDXBDFOFWENGM-AWEZNQCLSA-N 0 0 445.363 3.784 50 0 IHAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F ZINC000012554295 526818296 /nfs/dbraw/zinc/81/82/96/526818296.db2.gz YMABRMSOIOZBCG-FQEVSTJZSA-N 0 0 431.895 3.698 50 0 IHAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F ZINC000012554296 526820186 /nfs/dbraw/zinc/82/01/86/526820186.db2.gz YMABRMSOIOZBCG-HXUWFJFHSA-N 0 0 431.895 3.698 50 0 IHAARN O=C(CN1c2ccccc2-n2cccc2SCC1=O)NCCSCc1ccco1 ZINC000021088720 526825793 /nfs/dbraw/zinc/82/57/93/526825793.db2.gz HZNPBPAERCHMLR-UHFFFAOYSA-N 0 0 427.551 3.559 50 0 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RYOWSDIUHAYQJY-QGZVFWFLSA-N 0 0 425.290 3.672 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009244860 555523251 /nfs/dbraw/zinc/52/32/51/555523251.db2.gz CLHMNCWLQUEXHI-UHFFFAOYSA-N 0 0 431.496 3.998 50 0 IHAARN CCOc1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000652464 555523273 /nfs/dbraw/zinc/52/32/73/555523273.db2.gz KZPSUUWTYQRAJN-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)cc1 ZINC000000656653 555525040 /nfs/dbraw/zinc/52/50/40/555525040.db2.gz DDJFEOWGSNVHEF-UHFFFAOYSA-N 0 0 438.524 3.914 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000000663847 555527608 /nfs/dbraw/zinc/52/76/08/555527608.db2.gz OAPPLDJARFZYSN-UHFFFAOYSA-N 0 0 442.459 3.753 50 0 IHAARN CCOc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000000670210 555530421 /nfs/dbraw/zinc/53/04/21/555530421.db2.gz PUERWHMBARKUTP-UHFFFAOYSA-N 0 0 441.347 3.561 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3OC)n2)c(OC)c1 ZINC000000671653 555531678 /nfs/dbraw/zinc/53/16/78/555531678.db2.gz VVASUEVTCCRYER-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000703402 555544020 /nfs/dbraw/zinc/54/40/20/555544020.db2.gz VPUKWZOOTOIUPW-UHFFFAOYSA-N 0 0 427.489 3.718 50 0 IHAARN CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2C1=O ZINC000000708260 555545679 /nfs/dbraw/zinc/54/56/79/555545679.db2.gz CJZBXLLRAYUCGG-UHFFFAOYSA-N 0 0 448.260 3.938 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 ZINC000000708973 555546086 /nfs/dbraw/zinc/54/60/86/555546086.db2.gz BKLDGNYQBPYKJS-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000000717133 555548792 /nfs/dbraw/zinc/54/87/92/555548792.db2.gz NSWGSDPDMCMKIV-MRXNPFEDSA-N 0 0 437.492 3.978 50 0 IHAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(F)c(Br)c2)cc1 ZINC000000717915 555549204 /nfs/dbraw/zinc/54/92/04/555549204.db2.gz DPBZQYHJBGVSSQ-SFHVURJKSA-N 0 0 449.276 3.968 50 0 IHAARN O=C1C(Cl)=C(Nc2ccccc2F)C(=O)N1c1ccc(I)cc1 ZINC000000719425 555549432 /nfs/dbraw/zinc/54/94/32/555549432.db2.gz BMERDLHPGCDFDS-UHFFFAOYSA-N 0 0 442.615 3.866 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000721688 555550165 /nfs/dbraw/zinc/55/01/65/555550165.db2.gz AXYVJHRGKWXYKQ-QFIPXVFZSA-N 0 0 442.471 3.709 50 0 IHAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000000724941 555551427 /nfs/dbraw/zinc/55/14/27/555551427.db2.gz ISBSHOKNWSDNGA-NRFANRHFSA-N 0 0 438.459 3.857 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000000786706 555556381 /nfs/dbraw/zinc/55/63/81/555556381.db2.gz DANZGUAZWCCMFZ-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000000833402 555566550 /nfs/dbraw/zinc/56/65/50/555566550.db2.gz ZAGFVNHSKRXKBE-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000000844391 555568670 /nfs/dbraw/zinc/56/86/70/555568670.db2.gz ARKGEXWCKXUIQY-NSHDSACASA-N 0 0 442.524 3.990 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000845544 555569341 /nfs/dbraw/zinc/56/93/41/555569341.db2.gz NBFNUIDAJKGBSS-GOSISDBHSA-N 0 0 447.944 3.797 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)N2CCCCC2)C(C)C)cc1 ZINC000000846191 555569603 /nfs/dbraw/zinc/56/96/03/555569603.db2.gz FQFMJUFDHSWLAX-JOCHJYFZSA-N 0 0 437.540 3.714 50 0 IHAARN O=C(NCc1ccco1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000000862912 555573288 /nfs/dbraw/zinc/57/32/88/555573288.db2.gz GRVOHZQLIZJKLW-UHFFFAOYSA-N 0 0 430.342 3.667 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C1=S ZINC000000868478 555574719 /nfs/dbraw/zinc/57/47/19/555574719.db2.gz PFPOWVBVPXGQOU-SFHVURJKSA-N 0 0 431.945 3.695 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2C(N)=O)C1 ZINC000000869798 555575034 /nfs/dbraw/zinc/57/50/34/555575034.db2.gz HQVYCWCQMGGHNJ-SNVBAGLBSA-N 0 0 440.491 3.705 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000870423 555575286 /nfs/dbraw/zinc/57/52/86/555575286.db2.gz CBTOHZSSGQCKJR-UHFFFAOYSA-N 0 0 444.944 3.547 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000000912399 555582776 /nfs/dbraw/zinc/58/27/76/555582776.db2.gz AXDAXWMTUGIFQI-UHFFFAOYSA-N 0 0 440.525 3.687 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)cc1OC ZINC000000915162 555583135 /nfs/dbraw/zinc/58/31/35/555583135.db2.gz IAOJZQUZCJQZBD-AREMUKBSSA-N 0 0 431.488 3.754 50 0 IHAARN Cc1ccc(CN(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000920754 555584335 /nfs/dbraw/zinc/58/43/35/555584335.db2.gz BBHLVFQBICPACW-UHFFFAOYSA-N 0 0 432.929 3.749 50 0 IHAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C=Cc3ccccn3)c2)C1=O ZINC000009672432 555586991 /nfs/dbraw/zinc/58/69/91/555586991.db2.gz IZBSOIMFWUUUBS-AAJFVQQISA-N 0 0 426.476 3.658 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2Br)cc1OC ZINC000000942878 555587341 /nfs/dbraw/zinc/58/73/41/555587341.db2.gz GHUCWHYAGWELTM-UHFFFAOYSA-N 0 0 428.666 3.915 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000000951586 555589351 /nfs/dbraw/zinc/58/93/51/555589351.db2.gz MCGURSLZGWGBEQ-OLZOCXBDSA-N 0 0 440.521 3.673 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000000951583 555589392 /nfs/dbraw/zinc/58/93/92/555589392.db2.gz MCGURSLZGWGBEQ-QWHCGFSZSA-N 0 0 440.521 3.673 50 0 IHAARN COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 ZINC000000958567 555590637 /nfs/dbraw/zinc/59/06/37/555590637.db2.gz UREGWSMHHZNRHR-SFHVURJKSA-N 0 0 441.944 3.628 50 0 IHAARN COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000972114 555591729 /nfs/dbraw/zinc/59/17/29/555591729.db2.gz NITIVVCLNQWEOX-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 ZINC000000985738 555594432 /nfs/dbraw/zinc/59/44/32/555594432.db2.gz BQZHGHYKDOBAMC-UHFFFAOYSA-N 0 0 430.551 3.623 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000999547 555599901 /nfs/dbraw/zinc/59/99/01/555599901.db2.gz IZYULJPASQYGFY-UHFFFAOYSA-N 0 0 432.406 3.631 50 0 IHAARN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000001003899 555600729 /nfs/dbraw/zinc/60/07/29/555600729.db2.gz OIEZFESKJVBTSN-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN O=C1N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000001019715 555603368 /nfs/dbraw/zinc/60/33/68/555603368.db2.gz CKRJIMVKHPSCIZ-CVEARBPZSA-N 0 0 430.835 3.971 50 0 IHAARN O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000001033862 555607057 /nfs/dbraw/zinc/60/70/57/555607057.db2.gz DCDKLJWOFRXYQP-INIZCTEOSA-N 0 0 440.714 3.616 50 0 IHAARN CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001064959 555617837 /nfs/dbraw/zinc/61/78/37/555617837.db2.gz FTFWNKJTLFWIOA-UHFFFAOYSA-N 0 0 431.739 3.752 50 0 IHAARN Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1 ZINC000001071998 555621496 /nfs/dbraw/zinc/62/14/96/555621496.db2.gz RIFQIPVOGIMLGY-UHFFFAOYSA-N 0 0 436.566 3.808 50 0 IHAARN Cc1ccc(N([C@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1C ZINC000001073095 555622199 /nfs/dbraw/zinc/62/21/99/555622199.db2.gz VEQNKWAEAKUOAD-CQSZACIVSA-N 0 0 425.348 3.859 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccncc1 ZINC000001075490 555623884 /nfs/dbraw/zinc/62/38/84/555623884.db2.gz HNGGODBZEGPILW-QFIPXVFZSA-N 0 0 437.293 3.852 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1 ZINC000001078390 555625248 /nfs/dbraw/zinc/62/52/48/555625248.db2.gz VKWPILKTHLHRPZ-QFIPXVFZSA-N 0 0 437.293 3.852 50 0 IHAARN COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001079641 555625561 /nfs/dbraw/zinc/62/55/61/555625561.db2.gz NHNOUKJKERHCRL-UHFFFAOYSA-N 0 0 448.862 3.885 50 0 IHAARN COc1cc(C=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000001079737 555625976 /nfs/dbraw/zinc/62/59/76/555625976.db2.gz HVSBCKAKVVRXBW-UHFFFAOYSA-N 0 0 445.640 3.783 50 0 IHAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 ZINC000001093082 555627583 /nfs/dbraw/zinc/62/75/83/555627583.db2.gz ASYWUEIVXOLUOF-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)S3)cc1 ZINC000001096586 555628191 /nfs/dbraw/zinc/62/81/91/555628191.db2.gz FEYCSCIJNFMICP-KRWDZBQOSA-N 0 0 427.482 3.857 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000001099317 555628389 /nfs/dbraw/zinc/62/83/89/555628389.db2.gz KJPFLRPBJVCVMW-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN COc1ccccc1N(C[C@@H](O)COc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001112382 555632432 /nfs/dbraw/zinc/63/24/32/555632432.db2.gz MRFIHXWFVXGTGZ-QGZVFWFLSA-N 0 0 447.940 3.984 50 0 IHAARN CCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc32)c(Br)c1 ZINC000001116227 555634688 /nfs/dbraw/zinc/63/46/88/555634688.db2.gz ZLWBSURRUHVFTN-UHFFFAOYSA-N 0 0 430.254 3.824 50 0 IHAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000001117804 555635531 /nfs/dbraw/zinc/63/55/31/555635531.db2.gz GZFOGVDHUNUTKM-GOSISDBHSA-N 0 0 431.467 3.747 50 0 IHAARN COc1ccccc1C(=O)Oc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000001122996 555638850 /nfs/dbraw/zinc/63/88/50/555638850.db2.gz BSIYBMSUYCYQDY-QGZVFWFLSA-N 0 0 430.460 3.906 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000001126114 555640709 /nfs/dbraw/zinc/64/07/09/555640709.db2.gz PPWUNFPQTVSRCT-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000001126907 555641625 /nfs/dbraw/zinc/64/16/25/555641625.db2.gz PBDIOUHECIALBJ-IIBYNOLFSA-N 0 0 437.496 3.592 50 0 IHAARN O=C(COc1ccccc1)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001128405 555642828 /nfs/dbraw/zinc/64/28/28/555642828.db2.gz OVUCVLYSLFRCLC-UHFFFAOYSA-N 0 0 437.912 3.966 50 0 IHAARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000001138897 555648446 /nfs/dbraw/zinc/64/84/46/555648446.db2.gz IUADVKNFXJYWKW-UHFFFAOYSA-N 0 0 426.888 3.964 50 0 IHAARN COc1ccccc1N(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccccc1 ZINC000001139400 555648759 /nfs/dbraw/zinc/64/87/59/555648759.db2.gz POADREFWEGCMHZ-UHFFFAOYSA-N 0 0 438.505 3.732 50 0 IHAARN COc1cccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000001144771 555652642 /nfs/dbraw/zinc/65/26/42/555652642.db2.gz SABNRPPVRIQUAY-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)c1 ZINC000001146078 555653563 /nfs/dbraw/zinc/65/35/63/555653563.db2.gz QBDXUBKJPDHSOP-QGZVFWFLSA-N 0 0 428.554 3.862 50 0 IHAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2C)C2(CCCCC2)Cc2ccccc2-1 ZINC000001149831 555655891 /nfs/dbraw/zinc/65/58/91/555655891.db2.gz JCENFLUGJRQXPN-UHFFFAOYSA-N 0 0 438.553 3.508 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1OC ZINC000001157053 555659552 /nfs/dbraw/zinc/65/95/52/555659552.db2.gz LVAMNLMXYAQHCH-YBEGLDIGSA-N 0 0 446.456 3.527 50 0 IHAARN NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Br)sc2c1CCCC2 ZINC000001158167 555660187 /nfs/dbraw/zinc/66/01/87/555660187.db2.gz VITVGUFEQBHRPG-UHFFFAOYSA-N 0 0 438.372 3.615 50 0 IHAARN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(I)cc1C ZINC000001161476 555661965 /nfs/dbraw/zinc/66/19/65/555661965.db2.gz ZNLYVNUTJFCDJT-UHFFFAOYSA-N 0 0 440.306 3.800 50 0 IHAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000001162118 555662317 /nfs/dbraw/zinc/66/23/17/555662317.db2.gz OGAGDTGNTGRSCM-UHFFFAOYSA-N 0 0 441.380 3.849 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)cc1 ZINC000001162093 555662323 /nfs/dbraw/zinc/66/23/23/555662323.db2.gz HCHPFNRTVBZVEM-UHFFFAOYSA-N 0 0 446.475 3.803 50 0 IHAARN Cc1cccc(OCC(=O)NCc2cccc(CNC(=O)COc3cccc(C)c3)c2)c1 ZINC000001164209 555663214 /nfs/dbraw/zinc/66/32/14/555663214.db2.gz LQJDQOSIEMYRGR-UHFFFAOYSA-N 0 0 432.520 3.694 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000001169990 555665845 /nfs/dbraw/zinc/66/58/45/555665845.db2.gz CDTGETWNLGPGLM-UHFFFAOYSA-N 0 0 440.521 3.679 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)c(Cl)c2)cc1 ZINC000001171192 555666716 /nfs/dbraw/zinc/66/67/16/555666716.db2.gz ZNCGMGNCWUCSTG-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(F)cc2)cc1 ZINC000001174192 555668705 /nfs/dbraw/zinc/66/87/05/555668705.db2.gz NYMXDBALAVUABP-UHFFFAOYSA-N 0 0 426.513 3.954 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(=O)CC)c3)n2C)cc1 ZINC000001181267 555671972 /nfs/dbraw/zinc/67/19/72/555671972.db2.gz JVDOUNXHSNSRDN-UHFFFAOYSA-N 0 0 439.541 3.960 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)N(Cc2ccccc2)C1=S ZINC000001185498 555673980 /nfs/dbraw/zinc/67/39/80/555673980.db2.gz JBHXKEZGGURUIE-KRWDZBQOSA-N 0 0 446.370 3.796 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1Br ZINC000001201679 555678777 /nfs/dbraw/zinc/67/87/77/555678777.db2.gz MTUUATPIKDUIFF-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN CCOc1ccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1 ZINC000001211608 555682188 /nfs/dbraw/zinc/68/21/88/555682188.db2.gz BCHRNWMDRJMTEO-UHFFFAOYSA-N 0 0 425.444 3.581 50 0 IHAARN O=C(Cc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000001213656 555683078 /nfs/dbraw/zinc/68/30/78/555683078.db2.gz QOGLYQCECLFBGG-KRWDZBQOSA-N 0 0 427.220 3.879 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2C2CC2)cc1 ZINC000001441723 555697860 /nfs/dbraw/zinc/69/78/60/555697860.db2.gz KRRCNUCYJMOLBV-LJQANCHMSA-N 0 0 427.501 3.718 50 0 IHAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 ZINC000001442523 555698150 /nfs/dbraw/zinc/69/81/50/555698150.db2.gz FXLLGOWOOJQUAU-NRFANRHFSA-N 0 0 446.532 3.621 50 0 IHAARN CCOc1ccccc1C1C(C(=O)OC)=CN(Cc2ccc(F)cc2)C=C1C(=O)OC ZINC000001459551 555700325 /nfs/dbraw/zinc/70/03/25/555700325.db2.gz CHJALVYFGLHVMJ-UHFFFAOYSA-N 0 0 425.456 3.938 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001778251 555714287 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IHAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002375151 555773681 /nfs/dbraw/zinc/77/36/81/555773681.db2.gz GERMIICWDPLRNC-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc(OC)c1OC ZINC000002377420 555773952 /nfs/dbraw/zinc/77/39/52/555773952.db2.gz CELQMMHKSJXZKO-INIZCTEOSA-N 0 0 447.491 3.976 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000002452812 555782012 /nfs/dbraw/zinc/78/20/12/555782012.db2.gz HBILZWYNYGNBLZ-UHFFFAOYSA-N 0 0 439.541 3.875 50 0 IHAARN COC(=O)c1c2ccc3ccccc3n2c(C(=O)c2ccc(OC)c(OC)c2)c1C(=O)OC ZINC000002529443 555785696 /nfs/dbraw/zinc/78/56/96/555785696.db2.gz QWJMUNDMTPBZKX-UHFFFAOYSA-N 0 0 447.443 3.914 50 0 IHAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1 ZINC000034667619 555791739 /nfs/dbraw/zinc/79/17/39/555791739.db2.gz YEBJQXXRSWKUAV-UHFFFAOYSA-N 0 0 436.462 3.503 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1N ZINC000002686634 555798720 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COc1cccc2c1Oc1ccccc1N=C2N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034814716 555911020 /nfs/dbraw/zinc/91/10/20/555911020.db2.gz VDOGPMVHDGMFFH-UHFFFAOYSA-N 0 0 449.532 3.886 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O ZINC000034830748 555912009 /nfs/dbraw/zinc/91/20/09/555912009.db2.gz RGPGUFMXUUQEOI-FQEVSTJZSA-N 0 0 434.927 4.000 50 0 IHAARN COc1cccc(N2CCN(c3nnc(C(=O)Nc4cccnc4)c4ccccc43)CC2)c1 ZINC000034839586 555914782 /nfs/dbraw/zinc/91/47/82/555914782.db2.gz ZUEWKVFMRNFZFO-UHFFFAOYSA-N 0 0 440.507 3.612 50 0 IHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)Cc3ccccc3)cs2)c1 ZINC000034905419 555919775 /nfs/dbraw/zinc/91/97/75/555919775.db2.gz OOIZBZGGZVLQLJ-UHFFFAOYSA-N 0 0 437.565 3.818 50 0 IHAARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000004066618 555957825 /nfs/dbraw/zinc/95/78/25/555957825.db2.gz PXOBGQLVURFQNO-HXEOFFAUSA-N 0 0 437.290 3.538 50 0 IHAARN O=C(NCCCn1ccnc1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000004068299 555958028 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CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000006858841 556106528 /nfs/dbraw/zinc/10/65/28/556106528.db2.gz QMXOFABGHOVZOF-UHFFFAOYSA-N 0 0 425.554 3.583 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000006973818 556112213 /nfs/dbraw/zinc/11/22/13/556112213.db2.gz XIJHYZHPVKPESR-NRFANRHFSA-N 0 0 449.463 3.663 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000002624290 556114747 /nfs/dbraw/zinc/11/47/47/556114747.db2.gz VUIOSEACIBBIFJ-GOSISDBHSA-N 0 0 437.521 3.509 50 0 IHAARN CCCc1cc2c(nc(C)n(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)c2=O)s1 ZINC000002781394 556138003 /nfs/dbraw/zinc/13/80/03/556138003.db2.gz AHGHJZWXIDMSOZ-UHFFFAOYSA-N 0 0 433.843 3.509 50 0 IHAARN Cc1nn(C)cc1/C=C1/N=C(SCC(=O)Nc2ccc(C)cc2C)N(CC(C)C)C1=O ZINC000002785103 556138310 /nfs/dbraw/zinc/13/83/10/556138310.db2.gz FZJXMRQIKTZBFS-KEBDBYFISA-N 0 0 439.585 3.912 50 0 IHAARN COc1ccc(N2C(=S)N=NC2c2cnn3c2N[C@@H](C)C[C@@H]3C(F)(F)F)c(OC)c1 ZINC000002790989 556139601 /nfs/dbraw/zinc/13/96/01/556139601.db2.gz SLCBIBJABJQOMM-LKFCYVNXSA-N 0 0 440.451 3.744 50 0 IHAARN Cc1c(Br)c(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)nn1C ZINC000002769338 556140207 /nfs/dbraw/zinc/14/02/07/556140207.db2.gz WHAIWRGHQQFDRA-UHFFFAOYSA-N 0 0 426.677 3.781 50 0 IHAARN CCn1ncc(-c2ccnc(SCC(=O)Nc3ccc4c(C)cc(=O)oc4c3)n2)c1C ZINC000002809496 556147000 /nfs/dbraw/zinc/14/70/00/556147000.db2.gz UYKDTMRDXLRUTG-UHFFFAOYSA-N 0 0 435.509 3.814 50 0 IHAARN O=C(Cc1ccccc1)Nn1c(=O)c2ccccc2nc1SCC(=O)c1ccccc1 ZINC000002971522 556152160 /nfs/dbraw/zinc/15/21/60/556152160.db2.gz QFGYLJHLABGVAG-UHFFFAOYSA-N 0 0 429.501 3.684 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CS(=O)(=O)C2 ZINC000003008502 556155017 /nfs/dbraw/zinc/15/50/17/556155017.db2.gz BHPWNDZKEBDTGJ-UHFFFAOYSA-N 0 0 447.516 3.780 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)c1C ZINC000003009548 556155214 /nfs/dbraw/zinc/15/52/14/556155214.db2.gz SBPVPWJQGBHMOM-UHFFFAOYSA-N 0 0 433.892 3.962 50 0 IHAARN O=C(Cn1cc(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc21)N1CCCCC1 ZINC000003015391 556158214 /nfs/dbraw/zinc/15/82/14/556158214.db2.gz BKQGGOGLTANGAL-UHFFFAOYSA-N 0 0 429.520 3.816 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 ZINC000008383867 556159731 /nfs/dbraw/zinc/15/97/31/556159731.db2.gz BKQMFWSCFAJACA-PZJWPPBQSA-N 0 0 437.492 3.811 50 0 IHAARN COc1cccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4cccs4)CC3=O)n2)c1 ZINC000008384328 556159996 /nfs/dbraw/zinc/15/99/96/556159996.db2.gz CHGFXIQEWBOMEJ-CQSZACIVSA-N 0 0 442.518 3.659 50 0 IHAARN COc1cccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4cccs4)CC3=O)n2)c1 ZINC000008384334 556160017 /nfs/dbraw/zinc/16/00/17/556160017.db2.gz CHGFXIQEWBOMEJ-AWEZNQCLSA-N 0 0 442.518 3.659 50 0 IHAARN Cc1ccc(NC(=O)COc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008426068 556168593 /nfs/dbraw/zinc/16/85/93/556168593.db2.gz GWXNAFNHKGELQW-HMAPJEAMSA-N 0 0 441.512 3.783 50 0 IHAARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1 ZINC000008449696 556180765 /nfs/dbraw/zinc/18/07/65/556180765.db2.gz OMSTXPQIPSXPFQ-RWFYYTQISA-N 0 0 435.863 3.691 50 0 IHAARN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000008449887 556181052 /nfs/dbraw/zinc/18/10/52/556181052.db2.gz HJDBUJZAZMPQSI-SGNKAXLRSA-N 0 0 429.472 3.655 50 0 IHAARN CCCOc1c(I)cc(/C=C2\SC(=N)NC2=O)cc1OCC ZINC000008451585 556182190 /nfs/dbraw/zinc/18/21/90/556182190.db2.gz JHZIKNMDXVMLSC-WQLSENKSSA-N 0 0 432.283 3.617 50 0 IHAARN CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000008451628 556182228 /nfs/dbraw/zinc/18/22/28/556182228.db2.gz LLMAUEICPUWDAQ-UYRXBGFRSA-N 0 0 445.468 3.883 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 ZINC000008612130 556191958 /nfs/dbraw/zinc/19/19/58/556191958.db2.gz ARNBUWNQWNNCQX-UHFFFAOYSA-N 0 0 437.521 3.577 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12)c1ccccc1 ZINC000008691520 556200536 /nfs/dbraw/zinc/20/05/36/556200536.db2.gz POFLBRDUUZVHIQ-CTNGQTDRSA-N 0 0 429.863 3.957 50 0 aggregator IHAARN CCCCS(=O)(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CCCC ZINC000008715855 556202094 /nfs/dbraw/zinc/20/20/94/556202094.db2.gz BASPORLNTYMRKA-UHFFFAOYSA-N 0 0 428.576 3.672 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1 ZINC000008722535 556203339 /nfs/dbraw/zinc/20/33/39/556203339.db2.gz CPEAYTLGYVPAKL-UHFFFAOYSA-N 0 0 441.480 3.797 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1cccs1 ZINC000008779638 556214598 /nfs/dbraw/zinc/21/45/98/556214598.db2.gz QRRFHGLWNVJELV-FYXHJSOBSA-N 0 0 444.965 3.513 50 0 IHAARN CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000008784369 556215236 /nfs/dbraw/zinc/21/52/36/556215236.db2.gz VNVJYSAWHHDJHD-GJZGRUSLSA-N 0 0 448.552 3.879 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCN(C)CC2)cc1 ZINC000008844637 556226839 /nfs/dbraw/zinc/22/68/39/556226839.db2.gz ZVTMDRXJJOOQBW-UHFFFAOYSA-N 0 0 431.945 3.888 50 0 IHAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008921618 556233453 /nfs/dbraw/zinc/23/34/53/556233453.db2.gz OWUGIPWYYWMDMA-FQEVSTJZSA-N 0 0 449.288 3.899 50 0 IHAARN O=C(C[C@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000008922767 556233695 /nfs/dbraw/zinc/23/36/95/556233695.db2.gz YUKPYYKCNPCMLI-MHZLTWQESA-N 0 0 443.499 3.898 50 0 IHAARN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)c1 ZINC000009094738 556246188 /nfs/dbraw/zinc/24/61/88/556246188.db2.gz LZONOHJPFYUINU-UHFFFAOYSA-N 0 0 441.480 3.797 50 0 IHAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(NC(C)=O)cc4)s3)CC2=O)cc1 ZINC000009198097 556256208 /nfs/dbraw/zinc/25/62/08/556256208.db2.gz IGZAJONCHJEZOL-QGZVFWFLSA-N 0 0 449.536 3.832 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1 ZINC000009225092 556258987 /nfs/dbraw/zinc/25/89/87/556258987.db2.gz PHZBVIQOHASJJL-UHFFFAOYSA-N 0 0 432.432 3.903 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1F)S2 ZINC000009237943 556264696 /nfs/dbraw/zinc/26/46/96/556264696.db2.gz JYKQDGQITFIVOY-CVEARBPZSA-N 0 0 448.321 3.886 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237932 556264739 /nfs/dbraw/zinc/26/47/39/556264739.db2.gz WLHYYHLVAWEZPE-HOTGVXAUSA-N 0 0 430.331 3.747 50 0 IHAARN CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009272189 556270962 /nfs/dbraw/zinc/27/09/62/556270962.db2.gz MJFSNBVEFYRPBX-JKSUJKDBSA-N 0 0 435.705 3.960 50 0 IHAARN CC(C)Cc1nc2oc3c(ncn(CC(=O)NCc4ccccc4)c3=O)c2c2c1CCC2 ZINC000013689938 556279368 /nfs/dbraw/zinc/27/93/68/556279368.db2.gz QPTWZNTYSQGCDS-UHFFFAOYSA-N 0 0 430.508 3.541 50 0 IHAARN COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCN(CC(C)C)C2)cc(OC)c1OC ZINC000013690363 556279758 /nfs/dbraw/zinc/27/97/58/556279758.db2.gz NEYBKUMYTYEBMR-UHFFFAOYSA-N 0 0 438.528 3.786 50 0 IHAARN CN(C)c1ccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 ZINC000013691842 556281421 /nfs/dbraw/zinc/28/14/21/556281421.db2.gz SCLJADJNGOUNQD-ILBGXUMGSA-N 0 0 436.577 3.644 50 0 IHAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CC2)cc1OC ZINC000013719953 556289111 /nfs/dbraw/zinc/28/91/11/556289111.db2.gz IFUSZGUTQBEVSQ-JOCHJYFZSA-N 0 0 428.554 3.705 50 0 IHAARN COc1cccc(N2C(=O)S/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCCO5)C2=O)c1 ZINC000013727518 556293769 /nfs/dbraw/zinc/29/37/69/556293769.db2.gz RHRXDZDOSCDSEY-DJKKODMXSA-N 0 0 436.445 3.549 50 0 IHAARN COc1cccc(NC(=O)Cn2cnc3c(oc4nc(C(C)C)c5c(c43)CCC5)c2=O)c1 ZINC000013730511 556295430 /nfs/dbraw/zinc/29/54/30/556295430.db2.gz OVTINOBIOQOTLN-UHFFFAOYSA-N 0 0 432.480 3.797 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC1Cc2ccccc2C1 ZINC000009504707 556295872 /nfs/dbraw/zinc/29/58/72/556295872.db2.gz JMMACADGPIENGX-UHFFFAOYSA-N 0 0 427.533 3.705 50 0 IHAARN Cc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009525809 556296063 /nfs/dbraw/zinc/29/60/63/556296063.db2.gz YWDKEAMYENDCMU-UHFFFAOYSA-N 0 0 430.309 3.648 50 0 IHAARN Cn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccccn2)c2ccccc21 ZINC000013733228 556296763 /nfs/dbraw/zinc/29/67/63/556296763.db2.gz CUUBXAWVOJFZHV-HMAPJEAMSA-N 0 0 428.467 3.800 50 0 IHAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)c1 ZINC000013748258 556298373 /nfs/dbraw/zinc/29/83/73/556298373.db2.gz OJHZOICGGPUOOD-UHFFFAOYSA-N 0 0 448.346 3.551 50 0 IHAARN COc1ccc(CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C2CC2)cc1 ZINC000032740922 556302102 /nfs/dbraw/zinc/30/21/02/556302102.db2.gz PKTVJXRLDHNEKY-UHFFFAOYSA-N 0 0 432.314 3.963 50 0 IHAARN COc1cc(CNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)ccc1OC(F)F ZINC000032740904 556302211 /nfs/dbraw/zinc/30/22/11/556302211.db2.gz VZMHAKFLRRKNKZ-SFHVURJKSA-N 0 0 442.409 3.646 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC000032741635 556303068 /nfs/dbraw/zinc/30/30/68/556303068.db2.gz OLIZWUGABVDBDE-UHFFFAOYSA-N 0 0 439.928 3.707 50 0 IHAARN Cc1ccc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009663483 556304858 /nfs/dbraw/zinc/30/48/58/556304858.db2.gz DXPYNARKIGYDLD-HXUWFJFHSA-N 0 0 428.492 3.879 50 0 IHAARN O=C(NCCSCc1cccs1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000032744724 556304888 /nfs/dbraw/zinc/30/48/88/556304888.db2.gz UORCTWVDVMIACG-HNNXBMFYSA-N 0 0 427.638 3.691 50 0 IHAARN O=C(c1ccccc1Br)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013779029 556308157 /nfs/dbraw/zinc/30/81/57/556308157.db2.gz KEYDCHFXNKBFTF-OAHLLOKOSA-N 0 0 442.762 3.932 50 0 IHAARN C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cc2ccccc2o1 ZINC000032745187 556314798 /nfs/dbraw/zinc/31/47/98/556314798.db2.gz IXZSUQISAXIYHG-CQSZACIVSA-N 0 0 445.504 3.825 50 0 IHAARN COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000009891837 556315393 /nfs/dbraw/zinc/31/53/93/556315393.db2.gz WKGWZYDUFSXFCP-UHFFFAOYSA-N 0 0 430.504 3.726 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009892376 556315642 /nfs/dbraw/zinc/31/56/42/556315642.db2.gz XSVSXUKFOVBCCQ-OAQYLSRUSA-N 0 0 449.507 3.890 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)nc2O)cc1 ZINC000009908975 556316247 /nfs/dbraw/zinc/31/62/47/556316247.db2.gz KHRVZEYZYNRHTO-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN Cc1nc(COc2ccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cc2)cs1 ZINC000032748076 556316784 /nfs/dbraw/zinc/31/67/84/556316784.db2.gz CLRCYQZKJWVJSX-UHFFFAOYSA-N 0 0 431.539 3.547 50 0 IHAARN COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1OC ZINC000009933944 556317316 /nfs/dbraw/zinc/31/73/16/556317316.db2.gz MHSQIEXMYRBMHO-NRFANRHFSA-N 0 0 440.515 3.820 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009933958 556317334 /nfs/dbraw/zinc/31/73/34/556317334.db2.gz FIJJXQWHYGZFBO-OAQYLSRUSA-N 0 0 433.464 3.963 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CCCCCC1 ZINC000013843091 556318194 /nfs/dbraw/zinc/31/81/94/556318194.db2.gz QFZCVIQWPAMTCK-UHFFFAOYSA-N 0 0 448.972 3.873 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@H]4C)CC3)CC2=O)cc1 ZINC000013844552 556318790 /nfs/dbraw/zinc/31/87/90/556318790.db2.gz AAPLBBOJDUSCMX-DENIHFKCSA-N 0 0 445.563 3.564 50 0 IHAARN CNC(=O)c1ccc(CN(CC(=O)NC2c3ccccc3-c3ccccc32)C2CC2)cc1 ZINC000032760747 556321334 /nfs/dbraw/zinc/32/13/34/556321334.db2.gz IJPRVCWHJOJSCO-UHFFFAOYSA-N 0 0 425.532 3.897 50 0 IHAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccccc4F)c3)nn12 ZINC000010010355 556322145 /nfs/dbraw/zinc/32/21/45/556322145.db2.gz MCTNYQLMXHDIJA-UHFFFAOYSA-N 0 0 427.461 3.580 50 0 IHAARN Cc1sc2ncn(CCC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c(=O)c2c1C ZINC000032776673 556326971 /nfs/dbraw/zinc/32/69/71/556326971.db2.gz KXLUUHZKPPZJJR-SFHVURJKSA-N 0 0 427.526 3.661 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013893084 556327285 /nfs/dbraw/zinc/32/72/85/556327285.db2.gz INSOGGHXSJJARO-QGZVFWFLSA-N 0 0 443.569 3.542 50 0 IHAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)c1 ZINC000010296923 556329685 /nfs/dbraw/zinc/32/96/85/556329685.db2.gz DSNZGSMRXWRDJJ-FQEVSTJZSA-N 0 0 429.484 3.837 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1OC ZINC000004485591 556336020 /nfs/dbraw/zinc/33/60/20/556336020.db2.gz RJXJOBAKFVZAKV-UHFFFAOYSA-N 0 0 425.554 3.777 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cc(OC)ccc4OC)C3)sc2c1 ZINC000013941723 556338647 /nfs/dbraw/zinc/33/86/47/556338647.db2.gz NAEVNPSEFPASCL-ZDUSSCGKSA-N 0 0 441.509 3.704 50 0 IHAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 ZINC000013944252 556341321 /nfs/dbraw/zinc/34/13/21/556341321.db2.gz SWICCIIEHPSMDC-LBPRGKRZSA-N 0 0 428.901 3.973 50 0 IHAARN COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)cc1OC ZINC000011661260 556343185 /nfs/dbraw/zinc/34/31/85/556343185.db2.gz BUUVAUBIIRAULK-SFHVURJKSA-N 0 0 427.451 3.904 50 0 IHAARN CC[C@@H](NC(=O)c1nn(C)cc1I)C12CC3CC(CC(C3)C1)C2 ZINC000013958815 556346389 /nfs/dbraw/zinc/34/63/89/556346389.db2.gz FSMKRVYULQIMFH-CHGJFTSJSA-N 0 0 427.330 3.750 50 0 IHAARN COc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC ZINC000022925470 556348006 /nfs/dbraw/zinc/34/80/06/556348006.db2.gz HDNDPLZESNLWHH-MRXNPFEDSA-N 0 0 426.492 3.772 50 0 IHAARN COCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C)cc2C)C3)o1 ZINC000011790534 556355695 /nfs/dbraw/zinc/35/56/95/556355695.db2.gz JCVACCHQWPGPOO-UHFFFAOYSA-N 0 0 447.535 3.875 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 ZINC000014018075 556355989 /nfs/dbraw/zinc/35/59/89/556355989.db2.gz JTOXVVPJEBLRKF-IZHWHUGBSA-N 0 0 433.533 3.862 50 0 IHAARN c1cnn(-c2ccc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cc2)c1 ZINC000014023143 556357499 /nfs/dbraw/zinc/35/74/99/556357499.db2.gz WAYIIUQUWPUMMW-UHFFFAOYSA-N 0 0 432.553 3.641 50 0 IHAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1c(F)cccc1F ZINC000011815360 556358458 /nfs/dbraw/zinc/35/84/58/556358458.db2.gz UMXUZNBDVAUWSW-DEOSSOPVSA-N 0 0 449.501 3.639 50 0 IHAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000014077365 556362406 /nfs/dbraw/zinc/36/24/06/556362406.db2.gz PUGLGIQIDCTLQL-KRWDZBQOSA-N 0 0 426.567 3.750 50 0 IHAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000032796861 556362791 /nfs/dbraw/zinc/36/27/91/556362791.db2.gz SQENXMXIRBWEPX-MRXNPFEDSA-N 0 0 440.459 3.746 50 0 IHAARN Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1 ZINC000014083011 556363298 /nfs/dbraw/zinc/36/32/98/556363298.db2.gz OREMIBZTOYIBAC-UHFFFAOYSA-N 0 0 439.912 3.630 50 0 IHAARN C[C@@H](NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)OCO2 ZINC000014094571 556366611 /nfs/dbraw/zinc/36/66/11/556366611.db2.gz SDFLPNUNNSYYPB-CQSZACIVSA-N 0 0 433.489 3.731 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000014095599 556367475 /nfs/dbraw/zinc/36/74/75/556367475.db2.gz BZTPQTOORMMZPD-UHFFFAOYSA-N 0 0 449.536 3.564 50 0 IHAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 ZINC000014103606 556368232 /nfs/dbraw/zinc/36/82/32/556368232.db2.gz MVKSXAHYGMYFRC-UHFFFAOYSA-N 0 0 441.578 3.917 50 0 IHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(OC)c(O)c3)C2)cc1 ZINC000011871364 556368940 /nfs/dbraw/zinc/36/89/40/556368940.db2.gz WXHDDCWZKOIIKH-UXHICEINSA-N 0 0 430.570 3.669 50 0 IHAARN COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc3[nH]ccc3c1)CCO2 ZINC000011872449 556369016 /nfs/dbraw/zinc/36/90/16/556369016.db2.gz XTLUAXAKFUKRMW-QHCPKHFHSA-N 0 0 447.535 3.730 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000011873730 556369804 /nfs/dbraw/zinc/36/98/04/556369804.db2.gz DVNWCFRUULEIEY-DEOSSOPVSA-N 0 0 438.549 3.812 50 0 IHAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N[C@@H](C)c2csc(C)n2)c1 ZINC000011881291 556372956 /nfs/dbraw/zinc/37/29/56/556372956.db2.gz XFPLKKWFBAVGGH-LBPRGKRZSA-N 0 0 441.557 3.682 50 0 IHAARN CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1=O ZINC000011882143 556373703 /nfs/dbraw/zinc/37/37/03/556373703.db2.gz YOLSRWQBDHEICP-DUXBZUBYSA-N 0 0 427.589 3.857 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000014128776 556373856 /nfs/dbraw/zinc/37/38/56/556373856.db2.gz PSFOWHQLUUTPFX-XMMPIXPASA-N 0 0 438.487 3.783 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc(Br)c1OC ZINC000014129421 556374442 /nfs/dbraw/zinc/37/44/42/556374442.db2.gz JZRMPODBIARPSS-STQMWFEESA-N 0 0 428.323 3.803 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032800444 556375150 /nfs/dbraw/zinc/37/51/50/556375150.db2.gz GRZKOHNDNJSIQA-UHFFFAOYSA-N 0 0 426.402 3.744 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C3CC3)C3CCCCC3)CC2)cc1 ZINC000032800787 556375532 /nfs/dbraw/zinc/37/55/32/556375532.db2.gz WQLCUYRCXGRGFY-UHFFFAOYSA-N 0 0 434.602 3.810 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)cc1 ZINC000011913597 556375954 /nfs/dbraw/zinc/37/59/54/556375954.db2.gz PPTLWHRXRDLAGS-RMKNXTFCSA-N 0 0 437.569 3.960 50 0 IHAARN O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000011933488 556376911 /nfs/dbraw/zinc/37/69/11/556376911.db2.gz ZFLXNDXUVHFIQH-UHFFFAOYSA-N 0 0 448.420 3.608 50 0 IHAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014168467 556380544 /nfs/dbraw/zinc/38/05/44/556380544.db2.gz IXKFZIOJBLEZQS-AWEZNQCLSA-N 0 0 440.550 3.971 50 0 IHAARN O=C(Cc1cccc2ccccc21)NC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 ZINC000011963384 556381508 /nfs/dbraw/zinc/38/15/08/556381508.db2.gz CWRSHBYORQBMAC-JOCHJYFZSA-N 0 0 432.520 3.946 50 0 IHAARN COc1cccc(CNC(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)c1OC ZINC000011966586 556382150 /nfs/dbraw/zinc/38/21/50/556382150.db2.gz STTPSLMPRIZMGZ-QHCPKHFHSA-N 0 0 430.932 3.645 50 0 IHAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000014181926 556382896 /nfs/dbraw/zinc/38/28/96/556382896.db2.gz APYYYIBWUNKNQM-NRFANRHFSA-N 0 0 442.544 3.914 50 0 IHAARN O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014183153 556383386 /nfs/dbraw/zinc/38/33/86/556383386.db2.gz SKSWOGCNEZJXCH-UHFFFAOYSA-N 0 0 430.526 3.701 50 0 IHAARN O=C(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1CCCCC1 ZINC000011999957 556385593 /nfs/dbraw/zinc/38/55/93/556385593.db2.gz CGGXLVSUAFZQCJ-UHFFFAOYSA-N 0 0 436.600 3.869 50 0 IHAARN CCn1c(CCC(N)=O)nnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014196765 556388427 /nfs/dbraw/zinc/38/84/27/556388427.db2.gz KBFGTOQPEXXUPE-UHFFFAOYSA-N 0 0 432.553 3.861 50 0 IHAARN COc1ccc(CCNC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)cc1 ZINC000012035577 556389546 /nfs/dbraw/zinc/38/95/46/556389546.db2.gz IEPLQBFXLGDVCA-QGZVFWFLSA-N 0 0 426.542 3.572 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O ZINC000012038184 556390474 /nfs/dbraw/zinc/39/04/74/556390474.db2.gz XCQRJJQHMOWAOV-QFQXNSOFSA-N 0 0 433.552 3.768 50 0 IHAARN CCn1c(=S)n(CN2CCc3sccc3[C@@H]2c2ccccc2)nc1N1CCOCC1 ZINC000014201258 556391684 /nfs/dbraw/zinc/39/16/84/556391684.db2.gz RPYFQFAEQNWEIZ-FQEVSTJZSA-N 0 0 441.626 3.937 50 0 IHAARN CSCC[C@@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O ZINC000014226984 556395101 /nfs/dbraw/zinc/39/51/01/556395101.db2.gz UIZTUEKYJJUPJD-ROUUACIJSA-N 0 0 444.553 3.897 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000012062103 556395428 /nfs/dbraw/zinc/39/54/28/556395428.db2.gz GONURGJHHRKBLP-SFHVURJKSA-N 0 0 434.540 3.824 50 0 IHAARN COC[C@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccccn1)Sc1ccccc1-2 ZINC000012079516 556398363 /nfs/dbraw/zinc/39/83/63/556398363.db2.gz MEYHZHZJZHLGBH-NYHFZMIOSA-N 0 0 435.549 3.695 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1oc2ccccc2c1C ZINC000014237485 556399684 /nfs/dbraw/zinc/39/96/84/556399684.db2.gz AYXGRBOGHGDEAA-JOCHJYFZSA-N 0 0 428.492 3.857 50 0 IHAARN O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014241787 556402350 /nfs/dbraw/zinc/40/23/50/556402350.db2.gz MHTJOOIMMMBFLM-OAQYLSRUSA-N 0 0 449.498 3.781 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1CCc1cccs1 ZINC000014241961 556402395 /nfs/dbraw/zinc/40/23/95/556402395.db2.gz SAOZZCCFRGNHKW-UHFFFAOYSA-N 0 0 449.532 3.896 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014245028 556404758 /nfs/dbraw/zinc/40/47/58/556404758.db2.gz VAMUULYQXAVBBO-FQEVSTJZSA-N 0 0 444.457 3.713 50 0 IHAARN CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc21 ZINC000032593484 556406902 /nfs/dbraw/zinc/40/69/02/556406902.db2.gz ARMZGFPBOALOOW-UHFFFAOYSA-N 0 0 449.463 3.891 50 0 IHAARN O=C(NCCc1nc(-c2ccccc2)no1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000032593757 556407235 /nfs/dbraw/zinc/40/72/35/556407235.db2.gz IVHATDRLVDLQED-UHFFFAOYSA-N 0 0 440.253 3.578 50 0 IHAARN C[C@H]1CCc2sc(-c3nn(CN4CCN(c5cnccn5)CC4)c(=S)o3)cc2C1 ZINC000014250407 556408617 /nfs/dbraw/zinc/40/86/17/556408617.db2.gz AWXQYXZZHXHYSQ-AWEZNQCLSA-N 0 0 428.587 3.629 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000014252771 556409575 /nfs/dbraw/zinc/40/95/75/556409575.db2.gz KTWPMEIKPKRRSQ-UHFFFAOYSA-N 0 0 441.347 3.545 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)COc3cccc(Cl)c3)C2=O)cc1 ZINC000014255267 556410617 /nfs/dbraw/zinc/41/06/17/556410617.db2.gz URKZVZJVZRCOOH-WQRHYEAKSA-N 0 0 446.912 3.580 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(OC)c1 ZINC000032820715 556412415 /nfs/dbraw/zinc/41/24/15/556412415.db2.gz COJATXLSKHBIHR-QFIPXVFZSA-N 0 0 435.524 3.784 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219355229 556413589 /nfs/dbraw/zinc/41/35/89/556413589.db2.gz ONUCPSALCWFDHA-SFHVURJKSA-N 0 0 427.494 3.620 50 0 IHAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219359557 556413621 /nfs/dbraw/zinc/41/36/21/556413621.db2.gz QXUSVCUMRLZOJF-FQEVSTJZSA-N 0 0 441.521 3.995 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000022934413 556414704 /nfs/dbraw/zinc/41/47/04/556414704.db2.gz CLNGSGWEGWYTRL-UHFFFAOYSA-N 0 0 446.954 3.681 50 0 IHAARN CC[C@@H](C)[C@@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O ZINC000032672064 556414830 /nfs/dbraw/zinc/41/48/30/556414830.db2.gz JBLVBDDEGYYHOH-YJYMSZOUSA-N 0 0 437.427 3.630 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H](C)O)cc1 ZINC000032672254 556415009 /nfs/dbraw/zinc/41/50/09/556415009.db2.gz DOWHNIQZXMNCJQ-KGLIPLIRSA-N 0 0 431.945 3.858 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000032674806 556415527 /nfs/dbraw/zinc/41/55/27/556415527.db2.gz KYOAVLLJGJMWEP-JOCHJYFZSA-N 0 0 441.491 3.572 50 0 IHAARN O=C(CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1)N1CCCCC1 ZINC000032837555 556418717 /nfs/dbraw/zinc/41/87/17/556418717.db2.gz QSCJDWVKVNEUCT-UHFFFAOYSA-N 0 0 439.560 3.632 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000012972264 556419184 /nfs/dbraw/zinc/41/91/84/556419184.db2.gz HMVQLQAVZVRONV-MRXNPFEDSA-N 0 0 437.443 3.605 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1 ZINC000014525579 556419764 /nfs/dbraw/zinc/41/97/64/556419764.db2.gz JCWUIILCXJYTGX-UHFFFAOYSA-N 0 0 442.537 3.819 50 0 IHAARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012975816 556421410 /nfs/dbraw/zinc/42/14/10/556421410.db2.gz AGWHFMJHPHAOOD-CQSZACIVSA-N 0 0 442.537 3.677 50 0 IHAARN COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)c3ccccc3Cl)CC2=O)c1 ZINC000014534028 556422232 /nfs/dbraw/zinc/42/22/32/556422232.db2.gz FJNSLFOZOBEEKO-HXUWFJFHSA-N 0 0 442.943 3.628 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C[C@@H](C)O1 ZINC000012978066 556422789 /nfs/dbraw/zinc/42/27/89/556422789.db2.gz CCOVKWRWRBMQSV-GHMZBOCLSA-N 0 0 428.327 3.906 50 0 IHAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012979566 556423663 /nfs/dbraw/zinc/42/36/63/556423663.db2.gz RORKNKFLKDSHAT-CYBMUJFWSA-N 0 0 440.550 3.825 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c1 ZINC000012980685 556424214 /nfs/dbraw/zinc/42/42/14/556424214.db2.gz PCQOYCNTVQSKRQ-UHFFFAOYSA-N 0 0 442.512 3.849 50 0 IHAARN Cc1cc(=O)c(C(=O)N[C@H](C)COc2ccccc2F)nn1-c1ccccc1C(F)(F)F ZINC000060013516 556424651 /nfs/dbraw/zinc/42/46/51/556424651.db2.gz LNOXFTSJRQNNGV-CYBMUJFWSA-N 0 0 449.404 3.896 50 0 IHAARN Nc1n[nH]c(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)n1 ZINC000012983804 556425998 /nfs/dbraw/zinc/42/59/98/556425998.db2.gz VARXBYSHSLBPFH-UHFFFAOYSA-N 0 0 440.529 3.975 50 0 IHAARN O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000032841537 556427091 /nfs/dbraw/zinc/42/70/91/556427091.db2.gz PRTANMQWJNKPIM-CQSZACIVSA-N 0 0 429.910 3.914 50 0 IHAARN O=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012987153 556427732 /nfs/dbraw/zinc/42/77/32/556427732.db2.gz CXIJVNMOKLNHGL-UHFFFAOYSA-N 0 0 443.352 3.587 50 0 IHAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000032845287 556429363 /nfs/dbraw/zinc/42/93/63/556429363.db2.gz AADRAPCDFBEHLE-HRAATJIYSA-N 0 0 443.494 3.597 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032845781 556429747 /nfs/dbraw/zinc/42/97/47/556429747.db2.gz TZOSEBBURUWMRM-UHFFFAOYSA-N 0 0 441.837 3.764 50 0 IHAARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000032848638 556430792 /nfs/dbraw/zinc/43/07/92/556430792.db2.gz JAPDCJWHAYAIAK-UHFFFAOYSA-N 0 0 436.394 3.665 50 0 IHAARN CCc1cc2oc(=O)cc(CN3CCN(Cc4cn5ccccc5n4)CC3)c2cc1Cl ZINC000032853695 556432221 /nfs/dbraw/zinc/43/22/21/556432221.db2.gz KZBAEPDUACTEFK-UHFFFAOYSA-N 0 0 436.943 3.974 50 0 IHAARN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012999387 556432601 /nfs/dbraw/zinc/43/26/01/556432601.db2.gz BKLSUCPHKHKHNN-HDICACEKSA-N 0 0 448.610 3.914 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1I)O[C@@H](C)C2 ZINC000013000662 556433096 /nfs/dbraw/zinc/43/30/96/556433096.db2.gz MBXRBPVJXJMPGY-LBPRGKRZSA-N 0 0 437.277 3.943 50 0 IHAARN Cn1c(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000032858165 556434488 /nfs/dbraw/zinc/43/44/88/556434488.db2.gz YFEQUVQLIJZZTC-UHFFFAOYSA-N 0 0 428.905 3.704 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000013006273 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COc1ccc(OC[C@H]2CCCN(C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 ZINC000014967730 556466079 /nfs/dbraw/zinc/46/60/79/556466079.db2.gz VCNLPQOCVUPGEM-DFBJGRDBSA-N 0 0 440.540 3.577 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)c1cccnc1Cl ZINC000029136708 556468522 /nfs/dbraw/zinc/46/85/22/556468522.db2.gz AWNDMFVRIKBYCV-UHFFFAOYSA-N 0 0 433.942 3.796 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCC(C(=O)NCc4ccccc4)CC3)c2C)no1 ZINC000029192229 556469623 /nfs/dbraw/zinc/46/96/23/556469623.db2.gz ULCYXIIGOMULSN-UHFFFAOYSA-N 0 0 434.540 3.602 50 0 IHAARN O=C(Nc1ccc(-n2cncn2)nc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000029288816 556471603 /nfs/dbraw/zinc/47/16/03/556471603.db2.gz RSMCXKDVHNCIDY-UHFFFAOYSA-N 0 0 427.493 3.855 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000013120666 556472590 /nfs/dbraw/zinc/47/25/90/556472590.db2.gz HHIRLLAICNSWMU-UHFFFAOYSA-N 0 0 447.516 3.555 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029377138 556473898 /nfs/dbraw/zinc/47/38/98/556473898.db2.gz DSQNQNJOYNXGIP-UHFFFAOYSA-N 0 0 427.526 3.541 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000014991811 556475521 /nfs/dbraw/zinc/47/55/21/556475521.db2.gz REYZXQMDRDTAER-HXUWFJFHSA-N 0 0 438.553 3.536 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000013128545 556477885 /nfs/dbraw/zinc/47/78/85/556477885.db2.gz CACCORRZLUPQOJ-UHFFFAOYSA-N 0 0 435.524 3.515 50 0 IHAARN COc1cccc(-c2nc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cs2)c1OC ZINC000029651736 556479901 /nfs/dbraw/zinc/47/99/01/556479901.db2.gz FQSAOIVLMVQVOQ-UHFFFAOYSA-N 0 0 447.520 3.867 50 0 IHAARN CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000013131115 556480165 /nfs/dbraw/zinc/48/01/65/556480165.db2.gz IOMFEADZECONSG-MRXNPFEDSA-N 0 0 438.553 3.975 50 0 IHAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000072288217 556480557 /nfs/dbraw/zinc/48/05/57/556480557.db2.gz DXYDDLPHZSRINU-KRWDZBQOSA-N 0 0 448.953 3.563 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C ZINC000029763607 556481847 /nfs/dbraw/zinc/48/18/47/556481847.db2.gz VLHLLVRELGHIBO-SIKLNZKXSA-N 0 0 442.943 3.907 50 0 IHAARN CN(Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000015006647 556481876 /nfs/dbraw/zinc/48/18/76/556481876.db2.gz HATLAKJMLVYRSN-HXUWFJFHSA-N 0 0 427.549 3.916 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)nc2n1 ZINC000029807804 556483125 /nfs/dbraw/zinc/48/31/25/556483125.db2.gz KYNVMKHUNWTKLM-OAHLLOKOSA-N 0 0 438.538 3.866 50 0 IHAARN Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013137118 556484055 /nfs/dbraw/zinc/48/40/55/556484055.db2.gz XRRWIKKDDZXNFX-UHFFFAOYSA-N 0 0 440.590 3.773 50 0 IHAARN O=C(Nc1ccc(-n2cccn2)nc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000029851899 556484487 /nfs/dbraw/zinc/48/44/87/556484487.db2.gz KWYMCSXJGSNFJV-UHFFFAOYSA-N 0 0 430.917 3.646 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013138783 556485691 /nfs/dbraw/zinc/48/56/91/556485691.db2.gz NIACPDWVLRKFCV-OAHLLOKOSA-N 0 0 429.325 3.703 50 0 IHAARN O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000013145674 556488040 /nfs/dbraw/zinc/48/80/40/556488040.db2.gz XBJXNAXAXMLFIK-UHFFFAOYSA-N 0 0 426.734 3.656 50 0 IHAARN CCc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)OC)c3)sc2c1 ZINC000013148107 556489436 /nfs/dbraw/zinc/48/94/36/556489436.db2.gz HDJRXUFTNQUXPV-UHFFFAOYSA-N 0 0 439.946 3.946 50 0 IHAARN CCN(C(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000032872102 556489766 /nfs/dbraw/zinc/48/97/66/556489766.db2.gz LJZWADBCRRKDND-WFASDCNBSA-N 0 0 428.963 3.511 50 0 IHAARN FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc1 ZINC000032871880 556489835 /nfs/dbraw/zinc/48/98/35/556489835.db2.gz ZNNIYIWKMMCIOU-UHFFFAOYSA-N 0 0 439.445 3.946 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000013149131 556490765 /nfs/dbraw/zinc/49/07/65/556490765.db2.gz RPUZJYMPNBFYKE-UHFFFAOYSA-N 0 0 448.500 3.866 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1C ZINC000013150471 556492313 /nfs/dbraw/zinc/49/23/13/556492313.db2.gz XQWALOKJJXANJX-UHFFFAOYSA-N 0 0 428.272 3.614 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@@H]3CC=CC[C@@H]3C1=O)CC2 ZINC000013163460 556493742 /nfs/dbraw/zinc/49/37/42/556493742.db2.gz NRCYVMSGZMNVFQ-ROKPMTFOSA-N 0 0 432.520 3.560 50 0 IHAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000013163695 556494435 /nfs/dbraw/zinc/49/44/35/556494435.db2.gz QSCJPAXGZNLAIL-IBGZPJMESA-N 0 0 445.610 3.502 50 0 IHAARN COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)n2)c1 ZINC000013164108 556495749 /nfs/dbraw/zinc/49/57/49/556495749.db2.gz WSGRDOYJHRRFIX-XMMPIXPASA-N 0 0 428.448 3.866 50 0 IHAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1 ZINC000030531730 556497054 /nfs/dbraw/zinc/49/70/54/556497054.db2.gz IKLROIYOEYCBAP-MRXNPFEDSA-N 0 0 430.404 3.504 50 0 IHAARN COc1ccc(C2=NN(C(=O)CSc3nnc4ccccn43)[C@@H](c3ccco3)C2)cc1 ZINC000013164868 556497680 /nfs/dbraw/zinc/49/76/80/556497680.db2.gz VDWNZCWJSUSNFS-GOSISDBHSA-N 0 0 433.493 3.801 50 0 IHAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc(OC)c1 ZINC000015074587 556498454 /nfs/dbraw/zinc/49/84/54/556498454.db2.gz NQAIBWMBECNDAC-SFHVURJKSA-N 0 0 426.513 3.740 50 0 IHAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000030669398 556501714 /nfs/dbraw/zinc/50/17/14/556501714.db2.gz QRBKRWRPUAQGJG-RTBURBONSA-N 0 0 434.565 3.894 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)ccc4OC)c(=O)[nH]c3C2)cc1 ZINC000013363463 556502998 /nfs/dbraw/zinc/50/29/98/556502998.db2.gz DZXYMXDTJBHBFH-HNNXBMFYSA-N 0 0 448.475 3.566 50 0 IHAARN CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)cc1 ZINC000015108310 556504435 /nfs/dbraw/zinc/50/44/35/556504435.db2.gz BSGQLVMAHJNIOH-QFIPXVFZSA-N 0 0 433.508 3.949 50 0 IHAARN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000030815517 556506548 /nfs/dbraw/zinc/50/65/48/556506548.db2.gz UMHGHKKTYHOSSG-FUHWJXTLSA-N 0 0 436.599 3.733 50 0 IHAARN O=C(COc1ccccc1)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000013482500 556508219 /nfs/dbraw/zinc/50/82/19/556508219.db2.gz KUJOTDUAHRBTQI-OAHLLOKOSA-N 0 0 448.759 3.570 50 0 IHAARN Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)c1Cl ZINC000032885539 556510241 /nfs/dbraw/zinc/51/02/41/556510241.db2.gz UMRBOYBUBAIIBP-UHFFFAOYSA-N 0 0 425.341 3.729 50 0 IHAARN O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032885762 556510519 /nfs/dbraw/zinc/51/05/19/556510519.db2.gz ZVWRRDXHSSFQLC-UHFFFAOYSA-N 0 0 432.885 3.892 50 0 IHAARN CC[C@@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1 ZINC000032888420 556511156 /nfs/dbraw/zinc/51/11/56/556511156.db2.gz JSAIOFHUUDSERD-JOCHJYFZSA-N 0 0 436.552 3.928 50 0 IHAARN CC[C@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1 ZINC000032888421 556511190 /nfs/dbraw/zinc/51/11/90/556511190.db2.gz JSAIOFHUUDSERD-QFIPXVFZSA-N 0 0 436.552 3.928 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)s2)c1 ZINC000013519066 556511787 /nfs/dbraw/zinc/51/17/87/556511787.db2.gz UWTHCNLZALUONE-UHFFFAOYSA-N 0 0 447.538 3.970 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000013526195 556512459 /nfs/dbraw/zinc/51/24/59/556512459.db2.gz SQDOYQZUSZCQAH-CVEARBPZSA-N 0 0 436.603 3.554 50 0 IHAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000032889385 556512935 /nfs/dbraw/zinc/51/29/35/556512935.db2.gz RSYHFVJLXYXRMO-IXDOHACOSA-N 0 0 430.574 3.874 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC ZINC000032895137 556514578 /nfs/dbraw/zinc/51/45/78/556514578.db2.gz CNJPQAUMEMSTPT-MRXNPFEDSA-N 0 0 425.453 3.677 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000030921570 556515302 /nfs/dbraw/zinc/51/53/02/556515302.db2.gz BUSLIBUYWFVVAM-HSZRJFAPSA-N 0 0 432.520 3.910 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3CCCN23)cc1 ZINC000013554994 556515867 /nfs/dbraw/zinc/51/58/67/556515867.db2.gz OCUFAWVLMNSZOB-NMLBUPMWSA-N 0 0 442.437 3.849 50 0 IHAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000032898813 556516902 /nfs/dbraw/zinc/51/69/02/556516902.db2.gz PZONMUGUTXBCJS-UHFFFAOYSA-N 0 0 449.555 3.789 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073393 556518630 /nfs/dbraw/zinc/51/86/30/556518630.db2.gz JEFMWKDQQLYKMP-SFHVURJKSA-N 0 0 443.503 3.608 50 0 IHAARN COc1cc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC000013568093 556520681 /nfs/dbraw/zinc/52/06/81/556520681.db2.gz QKSLCRIDGCEEBP-INIZCTEOSA-N 0 0 439.512 3.542 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000015337020 556521808 /nfs/dbraw/zinc/52/18/08/556521808.db2.gz LIMPAJLTTUJEHJ-UHFFFAOYSA-N 0 0 427.353 3.711 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000015345423 556522156 /nfs/dbraw/zinc/52/21/56/556522156.db2.gz GPJZZRRONVBQKR-UHFFFAOYSA-N 0 0 425.960 3.537 50 0 IHAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000072301610 556525554 /nfs/dbraw/zinc/52/55/54/556525554.db2.gz IKUMFAQORVGJNC-UHFFFAOYSA-N 0 0 446.898 3.557 50 0 IHAARN O=C(CC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 ZINC000004425326 556526879 /nfs/dbraw/zinc/52/68/79/556526879.db2.gz OARDUXCXSFGZTI-HSZRJFAPSA-N 0 0 430.504 3.625 50 0 biogenic IHAARN COC(=O)c1c(CN2CCN(c3ncccn3)CC2)nc2ccccc2c1-c1ccccc1 ZINC000015471441 556529509 /nfs/dbraw/zinc/52/95/09/556529509.db2.gz YYCMAJYDLNKLNP-UHFFFAOYSA-N 0 0 439.519 3.801 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1Cl ZINC000032103896 556529690 /nfs/dbraw/zinc/52/96/90/556529690.db2.gz IDYLQDAERDUUCX-CQSZACIVSA-N 0 0 428.924 3.765 50 0 IHAARN CC(C)[C@H](C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000013592411 556530337 /nfs/dbraw/zinc/53/03/37/556530337.db2.gz IYGAZHAPPDUUDM-QMHKHESXSA-N 0 0 448.519 3.614 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12 ZINC000013592566 556530670 /nfs/dbraw/zinc/53/06/70/556530670.db2.gz ZGXNXZDEHGSLKS-UHFFFAOYSA-N 0 0 436.508 3.595 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 ZINC000013592419 556530687 /nfs/dbraw/zinc/53/06/87/556530687.db2.gz MSRDBGGHITUZHI-DUXPYHPUSA-N 0 0 438.793 3.502 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000015541292 556533707 /nfs/dbraw/zinc/53/37/07/556533707.db2.gz AZUSFNYXCUKOIG-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015545953 556534138 /nfs/dbraw/zinc/53/41/38/556534138.db2.gz BDCZCGVSPWVMRE-OAQYLSRUSA-N 0 0 427.932 3.867 50 0 IHAARN C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-n2ccnc2)cc1 ZINC000015565852 556535274 /nfs/dbraw/zinc/53/52/74/556535274.db2.gz FVOIBDGKOXPMDE-OAHLLOKOSA-N 0 0 447.564 3.859 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)c1 ZINC000032903204 556538873 /nfs/dbraw/zinc/53/88/73/556538873.db2.gz CPNSDBVCRFKUBS-AWEZNQCLSA-N 0 0 427.448 3.968 50 0 IHAARN Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2c(n1)onc2-c1ccccc1 ZINC000013641740 556542536 /nfs/dbraw/zinc/54/25/36/556542536.db2.gz QAUZNNTWWBCNOH-UHFFFAOYSA-N 0 0 432.505 3.858 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904398 556543934 /nfs/dbraw/zinc/54/39/34/556543934.db2.gz DUUDDRFIXXIEFT-OAHLLOKOSA-N 0 0 435.509 3.964 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 ZINC000013656352 556546447 /nfs/dbraw/zinc/54/64/47/556546447.db2.gz IGHFPBWXGPAGEX-UHFFFAOYSA-N 0 0 433.460 3.688 50 0 IHAARN C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000032721623 556547211 /nfs/dbraw/zinc/54/72/11/556547211.db2.gz DVLCBSMYNLUBGD-UZLBHIALSA-N 0 0 435.480 3.787 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NC4CCCCCC4)C3)n2)cc1OC ZINC000015726069 556547369 /nfs/dbraw/zinc/54/73/69/556547369.db2.gz QABXHCMWWVVZJJ-GOSISDBHSA-N 0 0 442.560 3.805 50 0 IHAARN CCN(CC)C(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000015746715 556548158 /nfs/dbraw/zinc/54/81/58/556548158.db2.gz ZAUHNKQCCIQWIB-GZTJUZNOSA-N 0 0 445.313 3.817 50 0 IHAARN CSc1ccc(CCNC(=O)CCn2cnc3onc(-c4ccccc4)c3c2=O)cc1 ZINC000032933758 556549734 /nfs/dbraw/zinc/54/97/34/556549734.db2.gz QTLRPCYAHDSHMT-UHFFFAOYSA-N 0 0 434.521 3.522 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000032905164 556550814 /nfs/dbraw/zinc/55/08/14/556550814.db2.gz RLVNEAGRTUVWOM-UHFFFAOYSA-N 0 0 443.525 3.567 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCc1ccc(Cl)cc1)c(=O)n2C ZINC000015779896 556551170 /nfs/dbraw/zinc/55/11/70/556551170.db2.gz XGSXYUDUODMNIZ-UHFFFAOYSA-N 0 0 449.942 3.638 50 0 IHAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cnn1C ZINC000032906327 556552233 /nfs/dbraw/zinc/55/22/33/556552233.db2.gz WKEZEHNQLIPHTF-UHFFFAOYSA-N 0 0 449.330 3.544 50 0 IHAARN CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2OC)c1 ZINC000032906458 556552404 /nfs/dbraw/zinc/55/24/04/556552404.db2.gz LLTSFLLWWSXUDQ-UHFFFAOYSA-N 0 0 447.738 3.662 50 0 IHAARN Cc1ccc(-n2c3c(c(SCC(=O)c4ccc5c(c4)OCCO5)nc2=O)CCC3)cc1 ZINC000015840440 556556840 /nfs/dbraw/zinc/55/68/40/556556840.db2.gz DBDVMBFPGKURIR-UHFFFAOYSA-N 0 0 434.517 3.776 50 0 IHAARN CCC[C@](C)(CCCNC(=O)Cn1c(=S)[nH]nc1-c1ccc(C)cc1)C1OCCO1 ZINC000072306513 556557621 /nfs/dbraw/zinc/55/76/21/556557621.db2.gz RCVINIXSNGRIQA-JOCHJYFZSA-N 0 0 432.590 3.992 50 0 IHAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)c1nc(C(=O)Nc3ccc(F)c(F)c3)nn12 ZINC000033274396 556558445 /nfs/dbraw/zinc/55/84/45/556558445.db2.gz VOEUVCRLWLNWAH-UHFFFAOYSA-N 0 0 445.429 3.931 50 0 IHAARN CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000032907317 556559072 /nfs/dbraw/zinc/55/90/72/556559072.db2.gz IUKSTTTVCVYONS-ZBFHGGJFSA-N 0 0 426.538 3.615 50 0 IHAARN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032907396 556559102 /nfs/dbraw/zinc/55/91/02/556559102.db2.gz ZOYYOHKSJFSECX-DEOSSOPVSA-N 0 0 436.600 3.866 50 0 IHAARN COc1cccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)c1 ZINC000015869075 556559652 /nfs/dbraw/zinc/55/96/52/556559652.db2.gz JIIBZJVKBWYGRQ-UHFFFAOYSA-N 0 0 433.331 3.919 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)cc1 ZINC000015881910 556560489 /nfs/dbraw/zinc/56/04/89/556560489.db2.gz JAFIYRAVCZBHJH-UHFFFAOYSA-N 0 0 449.492 3.526 50 0 IHAARN Cc1cc(=O)oc2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)ccc12 ZINC000015951178 556568858 /nfs/dbraw/zinc/56/88/58/556568858.db2.gz XCPYSSCOAKADBQ-UHFFFAOYSA-N 0 0 446.912 3.792 50 0 IHAARN CSc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 ZINC000032909181 556568870 /nfs/dbraw/zinc/56/88/70/556568870.db2.gz VXHYBVGRYIQTAO-MRXNPFEDSA-N 0 0 429.973 3.764 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c1 ZINC000015972766 556570068 /nfs/dbraw/zinc/57/00/68/556570068.db2.gz RXTIMXBQPXTKHI-OFVILXPXSA-N 0 0 428.444 3.785 50 0 IHAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000016015091 556574504 /nfs/dbraw/zinc/57/45/04/556574504.db2.gz SDEZFJPLCKCJJP-BGYRXZFFSA-N 0 0 440.565 3.851 50 0 IHAARN C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072310724 556576690 /nfs/dbraw/zinc/57/66/90/556576690.db2.gz XYCDZPRKWDKFGV-GOEBONIOSA-N 0 0 437.562 3.534 50 0 IHAARN C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072310722 556576718 /nfs/dbraw/zinc/57/67/18/556576718.db2.gz XYCDZPRKWDKFGV-HOCLYGCPSA-N 0 0 437.562 3.534 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000016032463 556576833 /nfs/dbraw/zinc/57/68/33/556576833.db2.gz SNTJTEVKGUJQCL-DCEDVJGZSA-N 0 0 440.540 3.716 50 0 biogenic IHAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(NC3CC3)nc2)cc1 ZINC000072309909 556577618 /nfs/dbraw/zinc/57/76/18/556577618.db2.gz PNPSQJMCYGCJQS-UHFFFAOYSA-N 0 0 430.508 3.984 50 0 IHAARN CSC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000016045473 556579520 /nfs/dbraw/zinc/57/95/20/556579520.db2.gz LTPAMGYEPGYYNG-IJEWVQPXSA-N 0 0 429.369 3.516 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCCOc1ccc(F)cc1 ZINC000032910736 556584390 /nfs/dbraw/zinc/58/43/90/556584390.db2.gz UKZFPFYXKXPSQE-LJQANCHMSA-N 0 0 443.924 3.794 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032966589 556587237 /nfs/dbraw/zinc/58/72/37/556587237.db2.gz OFIBKZMTSJEUHM-SFHVURJKSA-N 0 0 432.904 3.617 50 0 IHAARN CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187562 556587659 /nfs/dbraw/zinc/58/76/59/556587659.db2.gz PVTQXBMSANOKHG-UHFFFAOYSA-N 0 0 436.577 3.942 50 0 IHAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 ZINC000032970935 556589037 /nfs/dbraw/zinc/58/90/37/556589037.db2.gz YKFUYJBGOJUHLW-MBSDFSHPSA-N 0 0 440.503 3.910 50 0 IHAARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCC(O)CC4)cc3)CC2=O)cc1 ZINC000032913505 556594068 /nfs/dbraw/zinc/59/40/68/556594068.db2.gz RVXKHJFZSRNAJN-FQEVSTJZSA-N 0 0 435.568 3.982 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000032973991 556596009 /nfs/dbraw/zinc/59/60/09/556596009.db2.gz LCRUOPIKQHXTHZ-HXUWFJFHSA-N 0 0 428.598 3.923 50 0 IHAARN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000016276233 556596494 /nfs/dbraw/zinc/59/64/94/556596494.db2.gz RDRWLZOXQDOXBB-UHFFFAOYSA-N 0 0 436.293 3.684 50 0 IHAARN COc1ccc(-c2nnc(C(C)=O)n2Nc2ccc(I)cc2)cc1 ZINC000036649168 556599869 /nfs/dbraw/zinc/59/98/69/556599869.db2.gz CVUILSYIWGPSDA-UHFFFAOYSA-N 0 0 434.237 3.636 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2n1 ZINC000016392687 556604760 /nfs/dbraw/zinc/60/47/60/556604760.db2.gz UXFJEQXMRSNJRT-UHFFFAOYSA-N 0 0 425.492 3.663 50 0 IHAARN COC(=O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000032990866 556609684 /nfs/dbraw/zinc/60/96/84/556609684.db2.gz HLLQJMSVNHDZHF-UHFFFAOYSA-N 0 0 437.471 3.712 50 0 IHAARN CCOc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032995450 556610724 /nfs/dbraw/zinc/61/07/24/556610724.db2.gz GTWJKXZEEYFSPT-UHFFFAOYSA-N 0 0 442.516 3.967 50 0 IHAARN O=C(Nc1nccs1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016488899 556612043 /nfs/dbraw/zinc/61/20/43/556612043.db2.gz MCPYZHRFGLHCSV-UHFFFAOYSA-N 0 0 427.551 3.504 50 0 IHAARN COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1OC ZINC000038651662 556615030 /nfs/dbraw/zinc/61/50/30/556615030.db2.gz BKIDCRBKFBBXFH-UHFFFAOYSA-N 0 0 449.532 3.767 50 0 IHAARN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 ZINC000016648003 556620100 /nfs/dbraw/zinc/62/01/00/556620100.db2.gz KYWASPBWAAMKAE-UHFFFAOYSA-N 0 0 448.566 3.607 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000016672412 556621991 /nfs/dbraw/zinc/62/19/91/556621991.db2.gz AAZSSPWKYUJBES-UHFFFAOYSA-N 0 0 449.580 3.958 50 0 IHAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1nc(N2CCCC2)ncc1Cl ZINC000071800098 556626095 /nfs/dbraw/zinc/62/60/95/556626095.db2.gz JGWJHMUHFYQOIR-IBGZPJMESA-N 0 0 436.947 3.782 50 0 IHAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000016694768 556628267 /nfs/dbraw/zinc/62/82/67/556628267.db2.gz BBHIYDGWWVMEFA-UHFFFAOYSA-N 0 0 437.540 3.864 50 0 IHAARN COc1ccccc1[C@@H]1CN(CC(=O)N[C@H](C)Cc2cccnc2)Cc2ccccc2O1 ZINC000039420649 556628732 /nfs/dbraw/zinc/62/87/32/556628732.db2.gz YGEIJQILLAQVCE-CLOONOSVSA-N 0 0 431.536 3.773 50 0 IHAARN C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(=O)NC1CCCC1 ZINC000016718568 556630638 /nfs/dbraw/zinc/63/06/38/556630638.db2.gz SDHBMNOYZZIDOV-ZDUSSCGKSA-N 0 0 435.571 3.869 50 0 IHAARN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3)o2)sc2nc(=O)c(-c3ccccc3)nn12 ZINC000016730627 556631274 /nfs/dbraw/zinc/63/12/74/556631274.db2.gz WKAGZOODRBZBSQ-LDADJPATSA-N 0 0 433.876 3.639 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccc21 ZINC000016810315 556644843 /nfs/dbraw/zinc/64/48/43/556644843.db2.gz JPEBDPXKDBSBJT-ACJLOTCBSA-N 0 0 427.884 3.615 50 0 IHAARN Cc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000037579736 556645978 /nfs/dbraw/zinc/64/59/78/556645978.db2.gz APXISRXNNLRGHU-UHFFFAOYSA-N 0 0 448.498 3.752 50 0 IHAARN Cc1ccc2cc(CCNC(=O)c3ccccc3I)c(=O)[nH]c2c1C ZINC000011726478 556647092 /nfs/dbraw/zinc/64/70/92/556647092.db2.gz VCSAJOPWLPLCMD-UHFFFAOYSA-N 0 0 446.288 3.722 50 0 IHAARN O=C1C[C@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1c1ccccc1 ZINC000016902946 556648802 /nfs/dbraw/zinc/64/88/02/556648802.db2.gz RDJRWEXZNAMDGE-PZJWPPBQSA-N 0 0 427.504 3.997 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1 ZINC000038487392 556649178 /nfs/dbraw/zinc/64/91/78/556649178.db2.gz DIVKTJJVSUPFQM-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c(OC)c1 ZINC000011739388 556649359 /nfs/dbraw/zinc/64/93/59/556649359.db2.gz JXPPSKLVUIUVJF-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccsc3)n2C[C@H]2CCCO2)CC1 ZINC000011747728 556650328 /nfs/dbraw/zinc/65/03/28/556650328.db2.gz DFFWSTZTEVOFRL-GOSISDBHSA-N 0 0 449.646 3.506 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000017014689 556653052 /nfs/dbraw/zinc/65/30/52/556653052.db2.gz CPGPITOWQUKMRU-FQEVSTJZSA-N 0 0 441.553 3.761 50 0 IHAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000033000140 556654044 /nfs/dbraw/zinc/65/40/44/556654044.db2.gz CVHXEASCNOTOTR-UHFFFAOYSA-N 0 0 438.549 3.801 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 ZINC000011779376 556654986 /nfs/dbraw/zinc/65/49/86/556654986.db2.gz YEIYJGOKHUITSF-UHFFFAOYSA-N 0 0 435.575 3.572 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccccc3)n2Cc2ccco2)CC1 ZINC000011779937 556655114 /nfs/dbraw/zinc/65/51/14/556655114.db2.gz BUCVVTQKSFRUIP-UHFFFAOYSA-N 0 0 439.585 3.906 50 0 IHAARN COc1ccc(CCNC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1OC ZINC000011835023 556659368 /nfs/dbraw/zinc/65/93/68/556659368.db2.gz QWYKRDZMSSRSDY-UHFFFAOYSA-N 0 0 439.537 3.704 50 0 IHAARN Cc1noc(C)c1CCNC(=O)c1ccc(NC(=O)c2nnc(CC(C)C)s2)cc1 ZINC000033011307 556659838 /nfs/dbraw/zinc/65/98/38/556659838.db2.gz XIGKSOMINLWOMT-UHFFFAOYSA-N 0 0 427.530 3.566 50 0 IHAARN O=C(CCc1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000011855812 556662403 /nfs/dbraw/zinc/66/24/03/556662403.db2.gz GFJSVBCPUJLVJL-UHFFFAOYSA-N 0 0 431.521 3.744 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CC3)n1C)C[C@H](C)CC2 ZINC000017099159 556664278 /nfs/dbraw/zinc/66/42/78/556664278.db2.gz NBPQEKJLJFUJTI-LLVKDONJSA-N 0 0 434.587 3.786 50 0 IHAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCCNS(=O)(=O)c1ccc(C)cc1 ZINC000011866758 556666930 /nfs/dbraw/zinc/66/69/30/556666930.db2.gz URHIWMYQIHDCJC-UHFFFAOYSA-N 0 0 443.521 3.636 50 0 IHAARN COc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000017197816 556672906 /nfs/dbraw/zinc/67/29/06/556672906.db2.gz ZRSWUJMCGVEDDR-IQMFZBJNSA-N 0 0 439.537 3.669 50 0 IHAARN COc1cc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc(OC)c1OC ZINC000011916587 556673242 /nfs/dbraw/zinc/67/32/42/556673242.db2.gz KQMBJHLHOVCZKO-UHFFFAOYSA-N 0 0 434.246 3.777 50 0 IHAARN Cc1cc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C)c2c(C)c1 ZINC000100819127 556677060 /nfs/dbraw/zinc/67/70/60/556677060.db2.gz QSJOEFYSKLSZAA-GHVJWSGMSA-N 0 0 443.594 3.772 50 0 IHAARN CC(C)(C)c1nnc(C2CCN(Cc3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)o1 ZINC000032936877 556678774 /nfs/dbraw/zinc/67/87/74/556678774.db2.gz URKRKEXZPRXSEK-UHFFFAOYSA-N 0 0 444.536 3.990 50 0 IHAARN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018037904 556681887 /nfs/dbraw/zinc/68/18/87/556681887.db2.gz XDXJZBUCGIEITE-ZLNRFVROSA-N 0 0 442.471 3.520 50 0 IHAARN O=C(CCS(=O)(=O)Cc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000010621619 556682452 /nfs/dbraw/zinc/68/24/52/556682452.db2.gz SFLUTWDCOZFDLN-GOSISDBHSA-N 0 0 444.578 3.813 50 0 IHAARN COc1cc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc(OC)c1OC ZINC000045221618 556685561 /nfs/dbraw/zinc/68/55/61/556685561.db2.gz LEQUOIZWGBIFHN-UHFFFAOYSA-N 0 0 441.465 3.791 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3ccncc3)n1)CCCC2 ZINC000018179837 556685894 /nfs/dbraw/zinc/68/58/94/556685894.db2.gz FYOLBIGMMBETTH-UHFFFAOYSA-N 0 0 443.554 3.715 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3cccc(O)c3)cc2)c1C(F)(F)F ZINC000060330383 556686893 /nfs/dbraw/zinc/68/68/93/556686893.db2.gz WUKDQZRYFMNGQR-UHFFFAOYSA-N 0 0 447.413 3.746 50 0 IHAARN CCn1c2ccccc2nc1NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000010650983 556691543 /nfs/dbraw/zinc/69/15/43/556691543.db2.gz JTXHVZRPAPVWIA-LJQANCHMSA-N 0 0 428.558 3.696 50 0 IHAARN O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@H](O)COCc1cccs1 ZINC000072057687 556695536 /nfs/dbraw/zinc/69/55/36/556695536.db2.gz SHNYKQPLJDFPMC-UNMCSNQZSA-N 0 0 436.533 3.831 50 0 IHAARN Cc1ccc(CCNC(=O)CNC(=S)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000013544572 556696461 /nfs/dbraw/zinc/69/64/61/556696461.db2.gz YKXPBSHJQXLJND-UHFFFAOYSA-N 0 0 432.593 3.626 50 0 IHAARN CCn1ncc(CN(C)C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)c1C ZINC000065289728 556706870 /nfs/dbraw/zinc/70/68/70/556706870.db2.gz LSMKXESXDUOCAC-UHFFFAOYSA-N 0 0 436.556 3.952 50 0 IHAARN O=C(Nc1ccc(C(=O)NCc2ccco2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027949 556708352 /nfs/dbraw/zinc/70/83/52/556708352.db2.gz VECJGULLKVALOV-UHFFFAOYSA-N 0 0 434.477 3.892 50 0 IHAARN COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(=O)C2CC2)nn1 ZINC000013701990 556713533 /nfs/dbraw/zinc/71/35/33/556713533.db2.gz TXNFBBBPGGVABU-UHFFFAOYSA-N 0 0 426.420 3.583 50 0 IHAARN CCOc1cccc2cc(-c3csc(NC(=O)C4CCN(S(C)(=O)=O)CC4)n3)oc21 ZINC000013705085 556713906 /nfs/dbraw/zinc/71/39/06/556713906.db2.gz OGIOYLZDTZISBB-UHFFFAOYSA-N 0 0 449.554 3.565 50 0 IHAARN COc1ccc2[nH]c(CN3CCN(Cc4ccc(F)c(F)c4)[C@@H](CCO)C3)c(C)c2c1 ZINC000019228584 556717713 /nfs/dbraw/zinc/71/77/13/556717713.db2.gz HQDDULPFRDGCDJ-SFHVURJKSA-N 0 0 429.511 3.832 50 0 IHAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000033037192 556722192 /nfs/dbraw/zinc/72/21/92/556722192.db2.gz OGSSSUDKGIJNTJ-UHFFFAOYSA-N 0 0 431.540 3.502 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000033037771 556722941 /nfs/dbraw/zinc/72/29/41/556722941.db2.gz HWOLCEJQPUJSPJ-UHFFFAOYSA-N 0 0 445.857 3.518 50 0 IHAARN C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000061720503 556727783 /nfs/dbraw/zinc/72/77/83/556727783.db2.gz YRFOABQIWQSPHW-HNNXBMFYSA-N 0 0 425.920 3.680 50 0 IHAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O ZINC000011141244 556728350 /nfs/dbraw/zinc/72/83/50/556728350.db2.gz HNYSCOSZMXAPHJ-OAHLLOKOSA-N 0 0 441.915 3.857 50 0 IHAARN Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000054147076 556729265 /nfs/dbraw/zinc/72/92/65/556729265.db2.gz QGDXSJBLMSERJF-UHFFFAOYSA-N 0 0 427.915 3.621 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000033040276 556732076 /nfs/dbraw/zinc/73/20/76/556732076.db2.gz OVKUMFSBRGBRNM-QZTJIDSGSA-N 0 0 447.576 3.673 50 0 IHAARN CCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 ZINC000055119936 556735330 /nfs/dbraw/zinc/73/53/30/556735330.db2.gz XITJOIFERHRHGM-FQEVSTJZSA-N 0 0 431.602 3.501 50 0 IHAARN Cc1cccc(C(=O)NC[C@@H](CO)Cc2ccc(Cl)cc2)c1I ZINC000078995284 556736910 /nfs/dbraw/zinc/73/69/10/556736910.db2.gz UMYGCKQEYDACOB-AWEZNQCLSA-N 0 0 443.712 3.834 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000079069764 556738068 /nfs/dbraw/zinc/73/80/68/556738068.db2.gz XZMQAQMSAIQWGE-LLVKDONJSA-N 0 0 430.295 3.645 50 0 IHAARN C[C@H](CN(C)c1ccccc1)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000057984692 556750103 /nfs/dbraw/zinc/75/01/03/556750103.db2.gz KBMPILOGGDUZDQ-OAHLLOKOSA-N 0 0 438.578 3.828 50 0 IHAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000057996023 556751671 /nfs/dbraw/zinc/75/16/71/556751671.db2.gz RJXTTZQVMKPTJF-SFHVURJKSA-N 0 0 448.420 3.824 50 0 IHAARN COC(=O)c1cccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000058010183 556753262 /nfs/dbraw/zinc/75/32/62/556753262.db2.gz KJNOSPYMEFGHBB-GOSISDBHSA-N 0 0 449.429 3.977 50 0 IHAARN C[C@@H](OC(=O)c1cccc(-n2cc(Br)cn2)c1)C(=O)N(C)c1ccccc1 ZINC000058014176 556753434 /nfs/dbraw/zinc/75/34/34/556753434.db2.gz POQCDXWWAYNFKP-CQSZACIVSA-N 0 0 428.286 3.843 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000058027533 556754832 /nfs/dbraw/zinc/75/48/32/556754832.db2.gz FWUZAUVTECNSJM-MBOZVWFJSA-N 0 0 429.442 3.873 50 0 IHAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000058077598 556756677 /nfs/dbraw/zinc/75/66/77/556756677.db2.gz YJTZIPNWAZWHMG-QGZVFWFLSA-N 0 0 446.433 3.894 50 0 IHAARN NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)C1 ZINC000058141790 556761028 /nfs/dbraw/zinc/76/10/28/556761028.db2.gz BGUKNPNAICKVRS-RBUKOAKNSA-N 0 0 432.524 3.549 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(N)c2)cc1 ZINC000061894656 556762086 /nfs/dbraw/zinc/76/20/86/556762086.db2.gz WTUZUVLFMSBLBZ-QHCPKHFHSA-N 0 0 429.476 3.812 50 0 IHAARN Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n[nH]c1C(F)(F)F ZINC000058157189 556762736 /nfs/dbraw/zinc/76/27/36/556762736.db2.gz IZNFJXOLSPFJHO-UHFFFAOYSA-N 0 0 438.431 3.814 50 0 IHAARN COC(=O)c1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c2c(cccc2C)n1C ZINC000061947428 556762832 /nfs/dbraw/zinc/76/28/32/556762832.db2.gz HZMNOHXHONSWPT-UHFFFAOYSA-N 0 0 448.567 3.651 50 0 IHAARN COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1Cl ZINC000061983312 556763121 /nfs/dbraw/zinc/76/31/21/556763121.db2.gz ZGYMAWGAZZKWJX-MRXNPFEDSA-N 0 0 441.871 3.718 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000058159342 556763845 /nfs/dbraw/zinc/76/38/45/556763845.db2.gz CYRFGKKHCYASGZ-ROUUACIJSA-N 0 0 430.517 3.908 50 0 IHAARN COC(=O)N1CCC(NC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000058167091 556766987 /nfs/dbraw/zinc/76/69/87/556766987.db2.gz UVOZKQNKUYJUBE-UHFFFAOYSA-N 0 0 431.455 3.617 50 0 IHAARN O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC(COc2nc3ccccc3s2)CC1 ZINC000206600173 556770503 /nfs/dbraw/zinc/77/05/03/556770503.db2.gz SLANINAKLMCGDA-UHFFFAOYSA-N 0 0 449.532 3.881 50 0 IHAARN O=C(c1ccc(Cl)cc1I)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000058202209 556771203 /nfs/dbraw/zinc/77/12/03/556771203.db2.gz ZOZHNFWDPGNOCS-OAHLLOKOSA-N 0 0 446.716 3.562 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccnc3SC(C)C)C2)cc1 ZINC000058203018 556771441 /nfs/dbraw/zinc/77/14/41/556771441.db2.gz LGMJWQNNEWHENK-SFHVURJKSA-N 0 0 447.626 3.721 50 0 IHAARN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000058246510 556775189 /nfs/dbraw/zinc/77/51/89/556775189.db2.gz BUXSEEQTUKJSOJ-HUUCEWRRSA-N 0 0 448.614 3.543 50 0 IHAARN NC(=O)C1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)CC1 ZINC000058289902 556777805 /nfs/dbraw/zinc/77/78/05/556777805.db2.gz RBNAMRCGSFQRKM-BJMVGYQFSA-N 0 0 428.330 3.803 50 0 IHAARN Cc1cc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)c(C)o1 ZINC000058292448 556778073 /nfs/dbraw/zinc/77/80/73/556778073.db2.gz UJBNAOANEDSKFI-JLCFBVMHSA-N 0 0 427.526 3.581 50 0 IHAARN CC(C)N1C(=O)c2ccc(C(=O)N(CCc3ccccc3)C3CCCC3)cc2S1(=O)=O ZINC000058297953 556778324 /nfs/dbraw/zinc/77/83/24/556778324.db2.gz OLGRVFGCQVEORL-UHFFFAOYSA-N 0 0 440.565 3.867 50 0 IHAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000058354907 556782459 /nfs/dbraw/zinc/78/24/59/556782459.db2.gz DEBKBUIFOPSJGZ-JTSKRJEESA-N 0 0 435.568 3.666 50 0 IHAARN CN(CC(=O)Nc1cccc(Cl)c1SC(F)F)C1=NS(=O)(=O)c2ccccc21 ZINC000058406626 556786050 /nfs/dbraw/zinc/78/60/50/556786050.db2.gz MIIZBKPIZILWIS-UHFFFAOYSA-N 0 0 445.900 3.674 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccnc3OC)cc2)c1C(F)(F)F ZINC000058745382 556791685 /nfs/dbraw/zinc/79/16/85/556791685.db2.gz PVOVDIIJCXFRPZ-UHFFFAOYSA-N 0 0 434.374 3.724 50 0 IHAARN O=C(CCc1ccco1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000019537799 556794461 /nfs/dbraw/zinc/79/44/61/556794461.db2.gz RTRVBCSASROHCL-HSZRJFAPSA-N 0 0 437.584 3.575 50 0 IHAARN CN(CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000059119719 556794846 /nfs/dbraw/zinc/79/48/46/556794846.db2.gz FVGTYWRNBFJZJE-SFHVURJKSA-N 0 0 431.533 3.500 50 0 IHAARN COc1cc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1OC ZINC000019549844 556795139 /nfs/dbraw/zinc/79/51/39/556795139.db2.gz RQIVCXZPRRXILY-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN COc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)c(OC)c1OC ZINC000019552830 556796509 /nfs/dbraw/zinc/79/65/09/556796509.db2.gz RPIRWRSLZXUHMA-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)Nc1ccccc1 ZINC000002631460 556800969 /nfs/dbraw/zinc/80/09/69/556800969.db2.gz ZPKLLEVDSYPMCC-CQSZACIVSA-N 0 0 432.571 3.603 50 0 IHAARN CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1coc(-c2ccc(C)cc2)n1 ZINC000059853297 556805314 /nfs/dbraw/zinc/80/53/14/556805314.db2.gz KNTSMTSRWRCQCG-UHFFFAOYSA-N 0 0 438.509 3.911 50 0 IHAARN Cc1cccc(C)c1OC[C@H](O)CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl ZINC000060082024 556806327 /nfs/dbraw/zinc/80/63/27/556806327.db2.gz MYKVZROCXGVPBP-OAHLLOKOSA-N 0 0 435.858 3.633 50 0 IHAARN CCNC(=O)[C@H]1CCCN(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000096402499 556807562 /nfs/dbraw/zinc/80/75/62/556807562.db2.gz YLTUFFHWLGVHLQ-ISHSZONUSA-N 0 0 442.563 3.986 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000003347310 556813468 /nfs/dbraw/zinc/81/34/68/556813468.db2.gz SQAZDPCQQXAITK-UHFFFAOYSA-N 0 0 449.507 3.942 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)c1 ZINC000097943890 556814858 /nfs/dbraw/zinc/81/48/58/556814858.db2.gz RKQZYBNCZGVYJW-QHCPKHFHSA-N 0 0 425.916 3.684 50 0 IHAARN CC(=O)c1cn(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc12 ZINC000072402348 556815367 /nfs/dbraw/zinc/81/53/67/556815367.db2.gz IOWCWVHHONJEQD-UHFFFAOYSA-N 0 0 444.457 3.997 50 0 IHAARN C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F ZINC000003482361 556816624 /nfs/dbraw/zinc/81/66/24/556816624.db2.gz XOJZWCAGTDTOND-CQSZACIVSA-N 0 0 432.407 3.810 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1 ZINC000003560777 556817718 /nfs/dbraw/zinc/81/77/18/556817718.db2.gz DXNYTWIHBAXICZ-UHFFFAOYSA-N 0 0 439.489 3.908 50 0 IHAARN CCOc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033061980 556817809 /nfs/dbraw/zinc/81/78/09/556817809.db2.gz WZDBEUYJIPEGDS-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1 ZINC000033062833 556819177 /nfs/dbraw/zinc/81/91/77/556819177.db2.gz YYCPKDLLTLQATM-UHFFFAOYSA-N 0 0 442.522 3.533 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)nc2c1 ZINC000033068013 556819768 /nfs/dbraw/zinc/81/97/68/556819768.db2.gz DPQDOAMMUJAYLL-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)nc12 ZINC000033067853 556820048 /nfs/dbraw/zinc/82/00/48/556820048.db2.gz JKTFRPUNIXEWMX-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4cccc(F)c4)c3)nc2c1 ZINC000033068327 556822129 /nfs/dbraw/zinc/82/21/29/556822129.db2.gz GVGOOMIXMHBIAT-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C ZINC000005538625 556822534 /nfs/dbraw/zinc/82/25/34/556822534.db2.gz YVMQVPARSGULFT-UHFFFAOYSA-N 0 0 429.590 3.929 50 0 IHAARN O=C(c1nnn(-c2ccccc2)c1-n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000206649314 556825524 /nfs/dbraw/zinc/82/55/24/556825524.db2.gz MLDBKKCWTLUHAQ-UHFFFAOYSA-N 0 0 447.926 3.835 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206670385 556827314 /nfs/dbraw/zinc/82/73/14/556827314.db2.gz ICXCTIACGSAUFO-SJLPKXTDSA-N 0 0 427.545 3.704 50 0 IHAARN CCCN(C(=O)CNC(C)=O)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1 ZINC000096558687 556833803 /nfs/dbraw/zinc/83/38/03/556833803.db2.gz SOXOUNABENXISO-UHFFFAOYSA-N 0 0 435.568 3.580 50 0 IHAARN CCc1cc2c3c(c1)C(CN1CCN(c4ccccc4OC)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334161192 556837071 /nfs/dbraw/zinc/83/70/71/556837071.db2.gz WFDWKLOVNVTNLL-UHFFFAOYSA-N 0 0 445.563 3.785 50 0 IHAARN O=C(Cc1ccc(F)cc1)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997508 556838514 /nfs/dbraw/zinc/83/85/14/556838514.db2.gz IFFAIDFVFVYBAO-UHFFFAOYSA-N 0 0 431.508 3.873 50 0 IHAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc2c1 ZINC000022997544 556838599 /nfs/dbraw/zinc/83/85/99/556838599.db2.gz PUTCEACHSDIJCW-UHFFFAOYSA-N 0 0 443.544 3.742 50 0 IHAARN COc1ccc(OCCCC(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000062639936 556841376 /nfs/dbraw/zinc/84/13/76/556841376.db2.gz PFHAPRBKQDQOAU-IBGZPJMESA-N 0 0 428.529 3.821 50 0 IHAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccc(F)cc4F)c(=O)n3n2)cc1 ZINC000062639801 556841410 /nfs/dbraw/zinc/84/14/10/556841410.db2.gz PRRCKOHHEZYPJK-UHFFFAOYSA-N 0 0 445.429 3.937 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n(C)n2)cc1 ZINC000072406371 556842939 /nfs/dbraw/zinc/84/29/39/556842939.db2.gz FCZNJYUZCYBPRZ-UHFFFAOYSA-N 0 0 425.916 3.873 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc(Br)s1 ZINC000008719113 556843001 /nfs/dbraw/zinc/84/30/01/556843001.db2.gz RLPRVCRVPNUULJ-LJQANCHMSA-N 0 0 433.327 3.867 50 0 IHAARN CC[C@@H](NC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000096833082 556847422 /nfs/dbraw/zinc/84/74/22/556847422.db2.gz WLGHYKPPLHSCAD-HSZRJFAPSA-N 0 0 429.992 3.912 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000023012657 556848188 /nfs/dbraw/zinc/84/81/88/556848188.db2.gz YNWJXZUFVZDGOP-UHFFFAOYSA-N 0 0 430.508 3.635 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCOc3ccccc3OC)C2=O)cc1 ZINC000068713347 556849505 /nfs/dbraw/zinc/84/95/05/556849505.db2.gz MLXIYRUCRGXVSH-AREMUKBSSA-N 0 0 447.487 3.590 50 0 IHAARN COc1ccccc1OCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000068713303 556849566 /nfs/dbraw/zinc/84/95/66/556849566.db2.gz WOHVPHFJPOPMCF-SANMLTNESA-N 0 0 431.488 3.890 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC(C)CC3)cs2)c1 ZINC000008849927 556850072 /nfs/dbraw/zinc/85/00/72/556850072.db2.gz CWYOOSMQROHOID-UHFFFAOYSA-N 0 0 446.598 3.633 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O ZINC000033087920 556855765 /nfs/dbraw/zinc/85/57/65/556855765.db2.gz OIYMYGXMANSSOG-UHFFFAOYSA-N 0 0 448.429 3.939 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)cc(=O)oc2c1 ZINC000033088058 556855894 /nfs/dbraw/zinc/85/58/94/556855894.db2.gz MQZXKDUSIUTBDM-UHFFFAOYSA-N 0 0 433.552 3.783 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C2CCN(c3nc4ccccc4nc3OC)CC2)c1 ZINC000033088285 556856247 /nfs/dbraw/zinc/85/62/47/556856247.db2.gz JTISFIYLBUBOJW-UHFFFAOYSA-N 0 0 434.496 3.670 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccco3)n2)no1)Nc1cc(F)cc(F)c1 ZINC000033087467 556857476 /nfs/dbraw/zinc/85/74/76/556857476.db2.gz VAVSZIOIZAGLFV-UHFFFAOYSA-N 0 0 432.412 3.590 50 0 IHAARN CC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087540 556857624 /nfs/dbraw/zinc/85/76/24/556857624.db2.gz ZQKWVGOEXJFDNK-UHFFFAOYSA-N 0 0 428.514 3.689 50 0 IHAARN CCOC(=O)CC1(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)C(C)C)CCCCC1 ZINC000033127611 556864849 /nfs/dbraw/zinc/86/48/49/556864849.db2.gz MWFQCCOLYJQDPL-OAQYLSRUSA-N 0 0 429.561 3.556 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)Nc1ccc(OC)cc1 ZINC000033125467 556866504 /nfs/dbraw/zinc/86/65/04/556866504.db2.gz ZNJOTJQPYJFQFP-IBGZPJMESA-N 0 0 427.888 3.999 50 0 IHAARN CSc1ccc(CNC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000033125722 556866718 /nfs/dbraw/zinc/86/67/18/556866718.db2.gz LMSZULRQRISNHL-OAHLLOKOSA-N 0 0 443.956 4.000 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2C)CC3)cc1 ZINC000033140445 556876000 /nfs/dbraw/zinc/87/60/00/556876000.db2.gz NWMAJCPIOSMROP-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c(OC)c1 ZINC000033142008 556877332 /nfs/dbraw/zinc/87/73/32/556877332.db2.gz UJVJCDJRCSEBMF-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccccc3OC)CC2)c1 ZINC000033142080 556877765 /nfs/dbraw/zinc/87/77/65/556877765.db2.gz NQZKFIGSMKUVKZ-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1OC ZINC000033141712 556877901 /nfs/dbraw/zinc/87/79/01/556877901.db2.gz ZHNJOTWTVRBNKB-UHFFFAOYSA-N 0 0 446.550 3.520 50 0 IHAARN CCOc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000033141710 556878069 /nfs/dbraw/zinc/87/80/69/556878069.db2.gz SBOXLEVLVNDHGA-UHFFFAOYSA-N 0 0 430.551 3.902 50 0 IHAARN COc1ccc(CNn2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000033148390 556878242 /nfs/dbraw/zinc/87/82/42/556878242.db2.gz UJHQUWNJQIZBIK-UHFFFAOYSA-N 0 0 447.491 3.842 50 0 IHAARN CCCCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(CC)cc1 ZINC000004686238 556879196 /nfs/dbraw/zinc/87/91/96/556879196.db2.gz ATTVRSVWFZDZFR-UHFFFAOYSA-N 0 0 426.590 3.840 50 0 IHAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000015954334 556880535 /nfs/dbraw/zinc/88/05/35/556880535.db2.gz IWUZQZGLZRNHSL-MYYSRTQBSA-N 0 0 445.943 3.858 50 0 biogenic IHAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000015954721 556880635 /nfs/dbraw/zinc/88/06/35/556880635.db2.gz QGXFHCQDCFOODI-IZJXBPLLSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN COc1ccc(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033170986 556881839 /nfs/dbraw/zinc/88/18/39/556881839.db2.gz MGVCUXFBNYHACV-MLPAPPSSSA-N 0 0 427.482 3.921 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000033171002 556881859 /nfs/dbraw/zinc/88/18/59/556881859.db2.gz GMSNQXNEFHUEKC-RAXLEYEMSA-N 0 0 425.510 3.899 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000033171056 556882147 /nfs/dbraw/zinc/88/21/47/556882147.db2.gz WUBCZSYHZOEDMV-YFHOEESVSA-N 0 0 431.539 3.694 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1 ZINC000033170487 556885929 /nfs/dbraw/zinc/88/59/29/556885929.db2.gz JBIUDGNFHOAONR-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)c1 ZINC000033261775 556899833 /nfs/dbraw/zinc/89/98/33/556899833.db2.gz CWTBGLQODGYCBN-UHFFFAOYSA-N 0 0 441.513 3.542 50 0 IHAARN COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccccc2Br)CC1 ZINC000019781880 556913699 /nfs/dbraw/zinc/91/36/99/556913699.db2.gz CSBKTAPQWMQZNF-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019790174 556915022 /nfs/dbraw/zinc/91/50/22/556915022.db2.gz TYNFHOXLNWJIOJ-UHFFFAOYSA-N 0 0 438.549 3.994 50 0 IHAARN O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000019797541 556916432 /nfs/dbraw/zinc/91/64/32/556916432.db2.gz GKPBLFFGWCIOJD-SFHVURJKSA-N 0 0 448.748 3.557 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1Cl ZINC000019819340 556922547 /nfs/dbraw/zinc/92/25/47/556922547.db2.gz XMRZDXUBPGXNSX-UHFFFAOYSA-N 0 0 443.912 3.747 50 0 IHAARN COc1ccccc1C(=O)Oc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1 ZINC000019832191 556927426 /nfs/dbraw/zinc/92/74/26/556927426.db2.gz NMRHRMJLGGSDRW-UHFFFAOYSA-N 0 0 434.452 3.569 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019860988 556933413 /nfs/dbraw/zinc/93/34/13/556933413.db2.gz HSWOYSUIOZEBKO-GOSISDBHSA-N 0 0 434.945 3.723 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019860990 556933425 /nfs/dbraw/zinc/93/34/25/556933425.db2.gz HSWOYSUIOZEBKO-SFHVURJKSA-N 0 0 434.945 3.723 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 ZINC000019911028 556943077 /nfs/dbraw/zinc/94/30/77/556943077.db2.gz GWOKUMSAKSLTFK-UHFFFAOYSA-N 0 0 430.411 3.996 50 0 IHAARN COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 ZINC000019932513 556949377 /nfs/dbraw/zinc/94/93/77/556949377.db2.gz FVQHSUXRLZYNTR-QHCPKHFHSA-N 0 0 430.508 3.944 50 0 IHAARN COCCNC(=O)CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1Cl)CC2 ZINC000036394629 556972092 /nfs/dbraw/zinc/97/20/92/556972092.db2.gz QLLAESPMRDOPOS-VKAVYKQESA-N 0 0 449.938 3.867 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000033264978 556974893 /nfs/dbraw/zinc/97/48/93/556974893.db2.gz YOIHIVNHZDCIGG-UHFFFAOYSA-N 0 0 440.544 3.950 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000033265297 556975316 /nfs/dbraw/zinc/97/53/16/556975316.db2.gz XCYXOUAKJGMIJK-UHFFFAOYSA-N 0 0 447.564 3.834 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097087182 556983219 /nfs/dbraw/zinc/98/32/19/556983219.db2.gz IAUSSIQSLDOSHW-MRXNPFEDSA-N 0 0 431.452 3.941 50 0 IHAARN COCCn1c2ncccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000097097289 556984557 /nfs/dbraw/zinc/98/45/57/556984557.db2.gz YSAOICVPJPGOAD-QGZVFWFLSA-N 0 0 442.585 3.553 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000023044122 556986355 /nfs/dbraw/zinc/98/63/55/556986355.db2.gz NFMWLVPRSOBIHX-ZDUSSCGKSA-N 0 0 442.566 3.939 50 0 IHAARN COC(=O)c1nc2n(n1)[C@H](c1ccccc1Cl)C(C(=O)OC1CCCCC1)C(C)=N2 ZINC000020117113 556987186 /nfs/dbraw/zinc/98/71/86/556987186.db2.gz WENCNENAEZSJDU-QGZVFWFLSA-N 0 0 430.892 3.883 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000020118886 556987478 /nfs/dbraw/zinc/98/74/78/556987478.db2.gz RVSSHLFYWQTZHV-UHFFFAOYSA-N 0 0 425.960 3.537 50 0 IHAARN CN1c2cc(C(=O)NCc3ccccc3Br)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097111067 556990046 /nfs/dbraw/zinc/99/00/46/556990046.db2.gz DSWQZPMPMCGPAT-IBGZPJMESA-N 0 0 428.330 3.781 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000097139337 556992095 /nfs/dbraw/zinc/99/20/95/556992095.db2.gz NVSLDJCZHRAHEF-QHCPKHFHSA-N 0 0 425.916 3.684 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-n2cccn2)c1 ZINC000097163930 556994532 /nfs/dbraw/zinc/99/45/32/556994532.db2.gz PTZFHGVULUPAJB-KRWDZBQOSA-N 0 0 447.520 3.559 50 0 IHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000020169569 556994585 /nfs/dbraw/zinc/99/45/85/556994585.db2.gz GPEODUAIFCYCAH-UHFFFAOYSA-N 0 0 433.961 3.698 50 0 IHAARN O=C(NC[C@H](c1cccc2ccccc21)N1CCOCC1)c1ccc(Br)o1 ZINC000023106442 557001235 /nfs/dbraw/zinc/00/12/35/557001235.db2.gz ONPJEAJBGIVZPJ-GOSISDBHSA-N 0 0 429.314 3.999 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCN1CCOCC1)C3=O ZINC000020308178 557006611 /nfs/dbraw/zinc/00/66/11/557006611.db2.gz XPDRIONTFORCMJ-NRFANRHFSA-N 0 0 438.911 3.632 50 0 IHAARN CNc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125400 557007215 /nfs/dbraw/zinc/00/72/15/557007215.db2.gz BZVFVGDVFLQBRC-UHFFFAOYSA-N 0 0 431.500 3.788 50 0 IHAARN O=C(Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O)NCc1ccc(F)cc1 ZINC000023126168 557007871 /nfs/dbraw/zinc/00/78/71/557007871.db2.gz WRJLLZQBVUQMAG-UHFFFAOYSA-N 0 0 438.846 3.674 50 0 IHAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020355774 557009648 /nfs/dbraw/zinc/00/96/48/557009648.db2.gz UNABLQXZYIFMNY-UHFFFAOYSA-N 0 0 434.517 3.994 50 0 IHAARN CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Br)cc3)no2)c1=O ZINC000023126705 557011345 /nfs/dbraw/zinc/01/13/45/557011345.db2.gz IQMIGXWKIFFAOL-UHFFFAOYSA-N 0 0 441.285 3.605 50 0 IHAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccccc1)C2 ZINC000045994529 557014805 /nfs/dbraw/zinc/01/48/05/557014805.db2.gz IEVCPYSGUMPPFT-UHFFFAOYSA-N 0 0 427.460 3.983 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1 ZINC000045986655 557016175 /nfs/dbraw/zinc/01/61/75/557016175.db2.gz HTBSRWFDPMVMDF-UHFFFAOYSA-N 0 0 444.582 3.530 50 0 IHAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc(C)c12 ZINC000045991013 557016814 /nfs/dbraw/zinc/01/68/14/557016814.db2.gz GQZUMLAVCMMXLG-UHFFFAOYSA-N 0 0 448.454 3.965 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1OC ZINC000045992470 557018154 /nfs/dbraw/zinc/01/81/54/557018154.db2.gz YLTSWXABTVKVKC-LLVKDONJSA-N 0 0 438.406 3.719 50 0 IHAARN O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000023136839 557019155 /nfs/dbraw/zinc/01/91/55/557019155.db2.gz AWUXQYBOQHAJLG-UHFFFAOYSA-N 0 0 448.451 3.679 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)CC1CCCCC1)CSC2)NCc1ccc(F)cc1 ZINC000023139631 557022328 /nfs/dbraw/zinc/02/23/28/557022328.db2.gz ZKOCDIPWBYSFOC-UHFFFAOYSA-N 0 0 430.549 3.994 50 0 IHAARN O=C(Nc1nc2c(cc(F)cc2F)s1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010756897 557024516 /nfs/dbraw/zinc/02/45/16/557024516.db2.gz PUYZTODPPZWBAS-SNVBAGLBSA-N 0 0 443.522 3.675 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1OC ZINC000046044136 557025429 /nfs/dbraw/zinc/02/54/29/557025429.db2.gz GIONSPLRBBLOBR-KRWDZBQOSA-N 0 0 430.932 3.568 50 0 biogenic IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000046053700 557026754 /nfs/dbraw/zinc/02/67/54/557026754.db2.gz SEKSKXKBCNRBLU-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)cc1OC ZINC000046054007 557027209 /nfs/dbraw/zinc/02/72/09/557027209.db2.gz LGDXEQYCFHKSFD-UHFFFAOYSA-N 0 0 442.537 3.852 50 0 IHAARN C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000010797917 557027395 /nfs/dbraw/zinc/02/73/95/557027395.db2.gz GCJZKVSZWVJKEI-HNNXBMFYSA-N 0 0 431.444 3.901 50 0 IHAARN C[C@H](C(=O)NCCCN(C)c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944896 557028055 /nfs/dbraw/zinc/02/80/55/557028055.db2.gz PKQRYZSWZSXLIK-OAHLLOKOSA-N 0 0 432.446 3.619 50 0 IHAARN Cc1cccc(C)c1OCCOC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000032945233 557028749 /nfs/dbraw/zinc/02/87/49/557028749.db2.gz KEPWVYFAZBRDJQ-UHFFFAOYSA-N 0 0 437.945 3.977 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c1 ZINC000046074349 557030687 /nfs/dbraw/zinc/03/06/87/557030687.db2.gz KDVKJYVNLACNCA-GOSISDBHSA-N 0 0 448.548 3.786 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000046074716 557031191 /nfs/dbraw/zinc/03/11/91/557031191.db2.gz HDYIMMPTMXJNPL-QGZVFWFLSA-N 0 0 448.548 3.998 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000046079329 557034000 /nfs/dbraw/zinc/03/40/00/557034000.db2.gz WOTXPOKEMMVZAM-UHFFFAOYSA-N 0 0 442.878 3.998 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000046079366 557034423 /nfs/dbraw/zinc/03/44/23/557034423.db2.gz WSHZRWGDHQFEGZ-MRXNPFEDSA-N 0 0 446.507 3.907 50 0 IHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000017190420 557035631 /nfs/dbraw/zinc/03/56/31/557035631.db2.gz SVXLDMHRMNIJPT-FQEVSTJZSA-N 0 0 435.549 3.770 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000046124651 557037562 /nfs/dbraw/zinc/03/75/62/557037562.db2.gz ZAJZQCLHDHEOFT-INIZCTEOSA-N 0 0 442.566 3.667 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)NCCc1ccccc1 ZINC000017178906 557038215 /nfs/dbraw/zinc/03/82/15/557038215.db2.gz WNAADKBPMXIUFY-UHFFFAOYSA-N 0 0 439.928 3.626 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1cccnc1 ZINC000017243831 557043822 /nfs/dbraw/zinc/04/38/22/557043822.db2.gz AMSXWBOCMYFMHU-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN O=C(Nc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1)NC1CC1 ZINC000024617444 557046055 /nfs/dbraw/zinc/04/60/55/557046055.db2.gz CMWUXJGZHXSMGZ-UHFFFAOYSA-N 0 0 441.841 3.880 50 0 IHAARN OCCn1c(CN2CCN(Cc3nc4ccccc4s3)CC2)nc2ccc(Cl)cc21 ZINC000022924389 557048130 /nfs/dbraw/zinc/04/81/30/557048130.db2.gz MQJDWOVLOUSEPR-UHFFFAOYSA-N 0 0 441.988 3.610 50 0 IHAARN O=C(NCc1cccc(COCc2ccco2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048261344 557049514 /nfs/dbraw/zinc/04/95/14/557049514.db2.gz DXACPELIUPLMTG-NRFANRHFSA-N 0 0 425.529 3.540 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033272060 557050862 /nfs/dbraw/zinc/05/08/62/557050862.db2.gz XZLZEJGFRNWKLU-UHFFFAOYSA-N 0 0 436.489 3.839 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2)c1 ZINC000048273855 557051138 /nfs/dbraw/zinc/05/11/38/557051138.db2.gz WFASWMWVVWLQDL-SFTDATJTSA-N 0 0 428.554 3.888 50 0 IHAARN CCC[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 ZINC000022933823 557051613 /nfs/dbraw/zinc/05/16/13/557051613.db2.gz OQYWRRNZSVGEQP-AUSIDOKSSA-N 0 0 427.564 3.998 50 0 IHAARN CCC[C@@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 ZINC000022933830 557051689 /nfs/dbraw/zinc/05/16/89/557051689.db2.gz OQYWRRNZSVGEQP-WMZHIEFXSA-N 0 0 427.564 3.998 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)NC3CCCC3)cc2)n1)C(=O)c1ccccc1F ZINC000033273558 557051814 /nfs/dbraw/zinc/05/18/14/557051814.db2.gz MVVMSCABFYJLFI-UHFFFAOYSA-N 0 0 436.487 3.863 50 0 IHAARN Cc1ccc(-n2cc3c(n2)ncnc3N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)cc1 ZINC000033273738 557052188 /nfs/dbraw/zinc/05/21/88/557052188.db2.gz BJCBYCGXWGPXJQ-NRFANRHFSA-N 0 0 440.551 3.965 50 0 IHAARN Cc1cccc(CC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)c1 ZINC000033273644 557052216 /nfs/dbraw/zinc/05/22/16/557052216.db2.gz AJBNAMWGJHGXGS-UHFFFAOYSA-N 0 0 446.551 3.915 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1 ZINC000033274095 557053127 /nfs/dbraw/zinc/05/31/27/557053127.db2.gz CJKLQIPTNWMARK-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)n2)cc1 ZINC000017314983 557053138 /nfs/dbraw/zinc/05/31/38/557053138.db2.gz LZVNRTOSMBIKJQ-UHFFFAOYSA-N 0 0 443.525 3.712 50 0 IHAARN CCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCCC4)c4ccccc43)sc2c1 ZINC000033275180 557053491 /nfs/dbraw/zinc/05/34/91/557053491.db2.gz SKYABEKRDWEMBX-UHFFFAOYSA-N 0 0 449.536 3.919 50 0 IHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1)c(-c1ccccc1)cn2C ZINC000033273925 557053664 /nfs/dbraw/zinc/05/36/64/557053664.db2.gz JGVQBNLJYJGYKX-UHFFFAOYSA-N 0 0 448.548 3.779 50 0 IHAARN COc1cc(CCC(=O)NCCc2ccc(Br)s2)cc(OC)c1OC ZINC000022993826 557056435 /nfs/dbraw/zinc/05/64/35/557056435.db2.gz RUUJTTDHIGYUAQ-UHFFFAOYSA-N 0 0 428.348 3.828 50 0 IHAARN Cc1sc(=O)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1-c1ccc(F)cc1 ZINC000048276920 557056654 /nfs/dbraw/zinc/05/66/54/557056654.db2.gz MLWZQMRGHIIWAP-FQEVSTJZSA-N 0 0 425.529 3.540 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1F ZINC000017320923 557057911 /nfs/dbraw/zinc/05/79/11/557057911.db2.gz NZHVVSTXRPCRHX-UHFFFAOYSA-N 0 0 442.468 3.594 50 0 IHAARN CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)C1=O ZINC000048285991 557058084 /nfs/dbraw/zinc/05/80/84/557058084.db2.gz OSBWHUDHNHCDHB-UHFFFAOYSA-N 0 0 427.932 3.810 50 0 IHAARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000023055092 557060489 /nfs/dbraw/zinc/06/04/89/557060489.db2.gz KJAGCHFDLPQAMJ-UHFFFAOYSA-N 0 0 432.508 3.803 50 0 IHAARN O=C(CN1CCN(C(=O)Oc2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000048310733 557060633 /nfs/dbraw/zinc/06/06/33/557060633.db2.gz XBRYKDLPUBIEQQ-VWLOTQADSA-N 0 0 443.547 3.903 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000048311186 557060890 /nfs/dbraw/zinc/06/08/90/557060890.db2.gz JEVCBTWZZIYUCC-UHFFFAOYSA-N 0 0 436.943 3.911 50 0 IHAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017336848 557061059 /nfs/dbraw/zinc/06/10/59/557061059.db2.gz KPNHURSFTKKHOJ-UHFFFAOYSA-N 0 0 433.580 3.837 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3cc(C)cc(C)c3)n(C)c(=O)c1n2C ZINC000033287641 557064974 /nfs/dbraw/zinc/06/49/74/557064974.db2.gz JPLWSNITAVQVAC-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023125771 557065242 /nfs/dbraw/zinc/06/52/42/557065242.db2.gz HHOQHVAJNATYQS-UHFFFAOYSA-N 0 0 448.497 3.736 50 0 IHAARN CC(=O)N(c1nc(Cn2nnn(-c3ccccc3Cl)c2=O)cs1)c1cccc(C)c1 ZINC000010883270 557067989 /nfs/dbraw/zinc/06/79/89/557067989.db2.gz ZBAAJMRCFHKULS-UHFFFAOYSA-N 0 0 440.916 3.580 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1C ZINC000033282749 557068011 /nfs/dbraw/zinc/06/80/11/557068011.db2.gz TWJFHWMBPZAOHS-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c(C)o1 ZINC000033291671 557069679 /nfs/dbraw/zinc/06/96/79/557069679.db2.gz CSKWMAHXGMMUTK-UHFFFAOYSA-N 0 0 432.484 3.831 50 0 IHAARN CN(Cc1ccccc1)C(=O)Cn1cc(-c2ccccc2)c2ncnc(N3CCOCC3)c21 ZINC000033291517 557069747 /nfs/dbraw/zinc/06/97/47/557069747.db2.gz OMLFVIKZDGONKQ-UHFFFAOYSA-N 0 0 441.535 3.594 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3N)c(C)o2)cc1 ZINC000033291631 557069778 /nfs/dbraw/zinc/06/97/78/557069778.db2.gz AHWBFSVERKERPX-UHFFFAOYSA-N 0 0 432.484 3.831 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000048342304 557071082 /nfs/dbraw/zinc/07/10/82/557071082.db2.gz JDERLGMPOJXKHA-KBPBESRZSA-N 0 0 439.387 3.564 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000023184836 557071623 /nfs/dbraw/zinc/07/16/23/557071623.db2.gz FZNBGOPVUFIHLF-HNNXBMFYSA-N 0 0 436.961 3.821 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1 ZINC000033296760 557072510 /nfs/dbraw/zinc/07/25/10/557072510.db2.gz PQHQYJQGZKGLKI-UHFFFAOYSA-N 0 0 448.479 3.535 50 0 IHAARN CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287488 557076996 /nfs/dbraw/zinc/07/69/96/557076996.db2.gz LHODTKCGLUKHAK-KRWDZBQOSA-N 0 0 430.526 3.862 50 0 IHAARN Cc1ccccc1-n1cnnc1SCCS(=O)(=O)c1ccc(Br)cc1 ZINC000011287429 557077030 /nfs/dbraw/zinc/07/70/30/557077030.db2.gz HAWXDAOERXRHRF-UHFFFAOYSA-N 0 0 438.372 3.904 50 0 IHAARN COC(=O)c1ccc(CN2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000023249034 557078318 /nfs/dbraw/zinc/07/83/18/557078318.db2.gz OLYHKXFWTCDTGZ-UHFFFAOYSA-N 0 0 437.565 3.923 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000023249305 557078390 /nfs/dbraw/zinc/07/83/90/557078390.db2.gz RAADAVKEVZYZCF-SANMLTNESA-N 0 0 448.611 3.613 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4cccc(C)c4)nsc3c2=O)cc1 ZINC000033300154 557078588 /nfs/dbraw/zinc/07/85/88/557078588.db2.gz LGSWTEVUTVXADJ-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccccc3F)c2n1 ZINC000049002147 557080776 /nfs/dbraw/zinc/08/07/76/557080776.db2.gz SNHZALPNGBJYSR-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000049002081 557081714 /nfs/dbraw/zinc/08/17/14/557081714.db2.gz AFEIEDUYYMKPSD-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN Cc1ccc2c(COC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)cc(=O)oc2c1 ZINC000011301569 557081855 /nfs/dbraw/zinc/08/18/55/557081855.db2.gz VNEMLXBUTPVEIM-UHFFFAOYSA-N 0 0 434.492 3.957 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1-c1ccc(Cl)cc1 ZINC000048985823 557082009 /nfs/dbraw/zinc/08/20/09/557082009.db2.gz XEIGKIGKYNSOLE-UHFFFAOYSA-N 0 0 436.880 3.966 50 0 IHAARN Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)ccc2[nH]1 ZINC000010895535 557082148 /nfs/dbraw/zinc/08/21/48/557082148.db2.gz FJABMLMQNOIWMQ-UHFFFAOYSA-N 0 0 440.569 3.836 50 0 IHAARN COc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)c1 ZINC000048986336 557082316 /nfs/dbraw/zinc/08/23/16/557082316.db2.gz DQOPOUKCBWYJMI-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)cc(C)c3)c2c1=O ZINC000048988068 557082889 /nfs/dbraw/zinc/08/28/89/557082889.db2.gz YLYRSYMIKJZJNR-UHFFFAOYSA-N 0 0 430.508 3.767 50 0 IHAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(OC)c(OC)c3)c2c1=O ZINC000048989478 557083363 /nfs/dbraw/zinc/08/33/63/557083363.db2.gz JBYSODURWNSWBO-UHFFFAOYSA-N 0 0 432.480 3.541 50 0 IHAARN CN(c1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1)S(=O)(=O)c1cccs1 ZINC000010901127 557083475 /nfs/dbraw/zinc/08/34/75/557083475.db2.gz BMSGXDVAQBWQPD-UHFFFAOYSA-N 0 0 438.477 3.869 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)n3C(C)C)no1 ZINC000033306890 557084947 /nfs/dbraw/zinc/08/49/47/557084947.db2.gz YIKTXSGAGXTZFY-KRWDZBQOSA-N 0 0 447.539 3.880 50 0 IHAARN COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(Br)cc4)no3)n2)c1 ZINC000049006375 557085011 /nfs/dbraw/zinc/08/50/11/557085011.db2.gz DOWIGVYZRRGNDC-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(Cl)cc1F ZINC000049008982 557086864 /nfs/dbraw/zinc/08/68/64/557086864.db2.gz MWUMHYFRYJRMLY-UHFFFAOYSA-N 0 0 435.912 3.747 50 0 IHAARN O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049009326 557087167 /nfs/dbraw/zinc/08/71/67/557087167.db2.gz KLQVMFULISHJNX-UHFFFAOYSA-N 0 0 447.804 3.869 50 0 IHAARN COc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382420 557089880 /nfs/dbraw/zinc/08/98/80/557089880.db2.gz NNZAJSVAGAQHNK-FQEVSTJZSA-N 0 0 427.464 3.557 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)c1 ZINC000049002240 557089917 /nfs/dbraw/zinc/08/99/17/557089917.db2.gz CNDDLTKRULBQLE-UHFFFAOYSA-N 0 0 446.551 3.833 50 0 IHAARN CCc1ccccc1NC(=O)Cn1cc(C(=O)N2CCC(C)CC2)c(=O)c2ccc(C)nc21 ZINC000049002234 557089949 /nfs/dbraw/zinc/08/99/49/557089949.db2.gz CGICEUYXWCLJRO-UHFFFAOYSA-N 0 0 446.551 3.778 50 0 IHAARN CCOc1cc(Br)c(CC(=O)O[C@H](C(N)=O)c2ccccc2)cc1OCC ZINC000010904514 557090578 /nfs/dbraw/zinc/09/05/78/557090578.db2.gz RYVJUVPMYVLVDK-IBGZPJMESA-N 0 0 436.302 3.559 50 0 IHAARN COC(=O)c1cccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)c1 ZINC000049003068 557090797 /nfs/dbraw/zinc/09/07/97/557090797.db2.gz ZKGPTFGNZHBNLN-UHFFFAOYSA-N 0 0 437.521 3.963 50 0 IHAARN COc1cc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc(OC)c1 ZINC000049003185 557091131 /nfs/dbraw/zinc/09/11/31/557091131.db2.gz MVCCETWQCVNRDS-UHFFFAOYSA-N 0 0 441.915 3.504 50 0 IHAARN COc1cccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2cccnc2)c1 ZINC000049003633 557091450 /nfs/dbraw/zinc/09/14/50/557091450.db2.gz GUNRXMGOPGZSJV-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN CCN(c1ccsc1C(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000049004219 557092312 /nfs/dbraw/zinc/09/23/12/557092312.db2.gz AOKKTFCMCQHORS-UHFFFAOYSA-N 0 0 444.534 3.622 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)nc23)cc1 ZINC000033309392 557092942 /nfs/dbraw/zinc/09/29/42/557092942.db2.gz ZGCWJESPEAPCER-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)C1 ZINC000033310232 557093543 /nfs/dbraw/zinc/09/35/43/557093543.db2.gz YFOCIWUDUKBNEB-OAHLLOKOSA-N 0 0 427.480 3.850 50 0 IHAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3cc(C)ccc3C)ncn2)CC1 ZINC000033312097 557095724 /nfs/dbraw/zinc/09/57/24/557095724.db2.gz AZWSFJFNYPMXSD-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(-c4nccnc4N4CCCC4)cc3)CC2)c1 ZINC000033313061 557097915 /nfs/dbraw/zinc/09/79/15/557097915.db2.gz RNZUZWGMVAERLW-UHFFFAOYSA-N 0 0 443.551 3.715 50 0 IHAARN CC1CCN(C(=O)C2=NN(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)CC1 ZINC000049402556 557097953 /nfs/dbraw/zinc/09/79/53/557097953.db2.gz XXZQUPNQEVQGDB-UHFFFAOYSA-N 0 0 431.945 3.706 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1 ZINC000023560233 557098676 /nfs/dbraw/zinc/09/86/76/557098676.db2.gz MXOSCDMDRKZTFV-MRXNPFEDSA-N 0 0 439.537 3.532 50 0 IHAARN CCn1c(SCC(=O)c2ccc(OC)c(O)c2OC)nnc1-c1ccccc1OC ZINC000072191453 557099785 /nfs/dbraw/zinc/09/97/85/557099785.db2.gz HKOPFLPUZXNTRV-UHFFFAOYSA-N 0 0 429.498 3.671 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(OC)c1 ZINC000011337120 557100595 /nfs/dbraw/zinc/10/05/95/557100595.db2.gz ICRWPTBFJTYFAU-IBGZPJMESA-N 0 0 437.471 3.675 50 0 IHAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)cc1 ZINC000049405934 557100963 /nfs/dbraw/zinc/10/09/63/557100963.db2.gz ARYMOOVMBXASDN-UHFFFAOYSA-N 0 0 445.567 3.908 50 0 IHAARN CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 ZINC000049406445 557101547 /nfs/dbraw/zinc/10/15/47/557101547.db2.gz SOWXFNHCUXQTKL-UHFFFAOYSA-N 0 0 437.931 3.518 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)c(C)c1C(=O)OC(C)C ZINC000085621586 557103212 /nfs/dbraw/zinc/10/32/12/557103212.db2.gz LVRBHLZJRWZKEU-GOSISDBHSA-N 0 0 443.519 3.504 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325357 557107545 /nfs/dbraw/zinc/10/75/45/557107545.db2.gz TZKNYDVNFGBHTC-OAHLLOKOSA-N 0 0 435.958 3.555 50 0 IHAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccc(CC)cc4)ccc3=O)n2)cc1OC ZINC000049421753 557108652 /nfs/dbraw/zinc/10/86/52/557108652.db2.gz CGSPBGVDEDGTPM-UHFFFAOYSA-N 0 0 432.480 3.978 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCNc1ccc(Nc2ccccn2)nn1 ZINC000049422416 557109220 /nfs/dbraw/zinc/10/92/20/557109220.db2.gz VRPBTVBYIGNTQY-UHFFFAOYSA-N 0 0 426.908 3.654 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000023735844 557112075 /nfs/dbraw/zinc/11/20/75/557112075.db2.gz DIMOODQBLOBBES-SFHVURJKSA-N 0 0 431.989 3.598 50 0 IHAARN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC ZINC000049546783 557112187 /nfs/dbraw/zinc/11/21/87/557112187.db2.gz XBRRYBRBLQIQHR-HNNXBMFYSA-N 0 0 426.494 3.673 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000011363824 557113752 /nfs/dbraw/zinc/11/37/52/557113752.db2.gz RHTIZHJEMMQUAU-YOEHRIQHSA-N 0 0 427.501 3.834 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000011363847 557113755 /nfs/dbraw/zinc/11/37/55/557113755.db2.gz PIUYPXUTSDKKIW-AOIWGVFYSA-N 0 0 437.565 3.934 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCc2ccccc2C1 ZINC000017743278 557114378 /nfs/dbraw/zinc/11/43/78/557114378.db2.gz MRLDIDWXRDONHI-UHFFFAOYSA-N 0 0 442.544 3.517 50 0 IHAARN O=C1C(=O)N(CN2CCCC[C@@H]2c2nc3ccccc3s2)C(=O)N1Cc1ccccc1 ZINC000023856102 557120620 /nfs/dbraw/zinc/12/06/20/557120620.db2.gz ZZWVZQYOXOENSQ-GOSISDBHSA-N 0 0 434.521 3.772 50 0 IHAARN COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000098086304 557122021 /nfs/dbraw/zinc/12/20/21/557122021.db2.gz NXTUJVPTOKXYRJ-YBFXNURJSA-N 0 0 426.494 3.996 50 0 IHAARN Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000023883040 557123484 /nfs/dbraw/zinc/12/34/84/557123484.db2.gz GVPWBEYFCQEDNG-JOCHJYFZSA-N 0 0 433.508 3.644 50 0 IHAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000023887442 557123783 /nfs/dbraw/zinc/12/37/83/557123783.db2.gz IONUGBCWLBDBIT-GOSISDBHSA-N 0 0 448.495 3.851 50 0 IHAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2c1=O ZINC000004791272 557124741 /nfs/dbraw/zinc/12/47/41/557124741.db2.gz XHXJWALSAAJJKZ-UHFFFAOYSA-N 0 0 433.552 3.975 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023908845 557125010 /nfs/dbraw/zinc/12/50/10/557125010.db2.gz TXKYZMTWKIASQB-UHFFFAOYSA-N 0 0 449.580 3.708 50 0 IHAARN Cc1c(C(=O)NCc2ccccc2)sc2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12 ZINC000004793110 557125566 /nfs/dbraw/zinc/12/55/66/557125566.db2.gz CTFVTZUPBWIKQD-UHFFFAOYSA-N 0 0 425.897 3.632 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)c3cccs3)CC2)o1 ZINC000023968691 557128630 /nfs/dbraw/zinc/12/86/30/557128630.db2.gz PKMQPXDZEGOWLR-UHFFFAOYSA-N 0 0 435.509 3.720 50 0 IHAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206693302 557129292 /nfs/dbraw/zinc/12/92/92/557129292.db2.gz OTNIETMIQUOTOM-IBGZPJMESA-N 0 0 436.489 3.917 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2Cc2ccco2)CC1 ZINC000011374037 557129330 /nfs/dbraw/zinc/12/93/30/557129330.db2.gz AEPXPYMHCCPGDD-PKOBYXMFSA-N 0 0 431.606 3.943 50 0 IHAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(c1ccccc1)c1ccccc1)C2=O ZINC000023989573 557129976 /nfs/dbraw/zinc/12/99/76/557129976.db2.gz DYPRFUIXWXWNFX-UHFFFAOYSA-N 0 0 433.552 3.610 50 0 IHAARN CC[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NCc1ccccc1 ZINC000023990087 557130109 /nfs/dbraw/zinc/13/01/09/557130109.db2.gz HMVRDFOBZRTHGU-NRFANRHFSA-N 0 0 436.581 3.649 50 0 IHAARN O=C(c1cccc(CN2CCCC2=O)c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023990285 557130268 /nfs/dbraw/zinc/13/02/68/557130268.db2.gz IHUXQBUWIVWGBJ-UHFFFAOYSA-N 0 0 427.548 3.920 50 0 IHAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024002151 557131300 /nfs/dbraw/zinc/13/13/00/557131300.db2.gz XMDCXZIAPHDXHV-HXUWFJFHSA-N 0 0 437.565 3.812 50 0 IHAARN Cc1nc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc1-c1nccn1C(F)F ZINC000024032314 557132641 /nfs/dbraw/zinc/13/26/41/557132641.db2.gz QHTNBLPUFDIOBY-UHFFFAOYSA-N 0 0 431.424 3.616 50 0 IHAARN COc1ccc(Cl)cc1N1CCN2c3ccccc3C[C@@H](C(=O)NCC3CC3)[C@H]2C1 ZINC000245279044 557134602 /nfs/dbraw/zinc/13/46/02/557134602.db2.gz AXHUCIFIDUFAFQ-DENIHFKCSA-N 0 0 425.960 3.742 50 0 IHAARN COc1ccc(NC(=O)NCCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000024120803 557138070 /nfs/dbraw/zinc/13/80/70/557138070.db2.gz RVXIDVWCBGMIAG-UHFFFAOYSA-N 0 0 436.464 3.545 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000024148003 557138917 /nfs/dbraw/zinc/13/89/17/557138917.db2.gz QIZXNUBWHOWOPC-XMMPIXPASA-N 0 0 446.547 3.986 50 0 IHAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000006878435 557139241 /nfs/dbraw/zinc/13/92/41/557139241.db2.gz VDTRYBYSVFHOLB-UHFFFAOYSA-N 0 0 435.509 3.705 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024179797 557139764 /nfs/dbraw/zinc/13/97/64/557139764.db2.gz XSBJDZVBOQBZGN-UHFFFAOYSA-N 0 0 441.578 3.530 50 0 IHAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000000706245 557140296 /nfs/dbraw/zinc/14/02/96/557140296.db2.gz XSCQSEUYQUNHOC-ZOVQAKDCSA-N 0 0 425.484 3.628 50 0 IHAARN CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000091350964 557141374 /nfs/dbraw/zinc/14/13/74/557141374.db2.gz CDWBXUFFJAIQEH-XMMPIXPASA-N 0 0 427.548 3.750 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)ccc1N1CCCC1=O ZINC000011447272 557148676 /nfs/dbraw/zinc/14/86/76/557148676.db2.gz ISLIIXHQKGTFJH-OAHLLOKOSA-N 0 0 439.537 3.536 50 0 IHAARN COc1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc(Cl)c1OCC(C)C ZINC000024501279 557148637 /nfs/dbraw/zinc/14/86/37/557148637.db2.gz WUWDRDCPFRGYEY-UHFFFAOYSA-N 0 0 437.968 3.747 50 0 IHAARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000024500281 557148805 /nfs/dbraw/zinc/14/88/05/557148805.db2.gz KYCNPKSPAIJYGW-INIZCTEOSA-N 0 0 445.928 3.598 50 0 IHAARN O=C(CCCc1nc2ccccc2s1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450860 557149485 /nfs/dbraw/zinc/14/94/85/557149485.db2.gz AGTJDIMNUZUWMW-UHFFFAOYSA-N 0 0 449.623 3.650 50 0 IHAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011452196 557150475 /nfs/dbraw/zinc/15/04/75/557150475.db2.gz SJWFZBICPCFYHS-UHFFFAOYSA-N 0 0 449.985 3.841 50 0 IHAARN CN1C(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C(=O)C12CCCCC2 ZINC000023269117 557151464 /nfs/dbraw/zinc/15/14/64/557151464.db2.gz QVZBXVUVTUUSKI-UHFFFAOYSA-N 0 0 431.496 3.765 50 0 IHAARN CCOc1ccc(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1OCC ZINC000000720602 557152729 /nfs/dbraw/zinc/15/27/29/557152729.db2.gz CEXBWRNKSAOWKS-UHFFFAOYSA-N 0 0 435.498 3.608 50 0 IHAARN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1Cl ZINC000023294980 557155380 /nfs/dbraw/zinc/15/53/80/557155380.db2.gz AEGLIRYQCMNFKF-NRFANRHFSA-N 0 0 449.929 3.890 50 0 IHAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000024672543 557158347 /nfs/dbraw/zinc/15/83/47/557158347.db2.gz KGRCJBMOXZHYLE-JOCHJYFZSA-N 0 0 435.549 3.895 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c1 ZINC000024700610 557159095 /nfs/dbraw/zinc/15/90/95/557159095.db2.gz UXMJKAAZVGXLAB-UHFFFAOYSA-N 0 0 434.496 3.756 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1)c1ccco1 ZINC000011547075 557161962 /nfs/dbraw/zinc/16/19/62/557161962.db2.gz DEMDSYJKEWKNGC-GOSISDBHSA-N 0 0 433.512 3.870 50 0 IHAARN Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)cc1 ZINC000024754368 557162944 /nfs/dbraw/zinc/16/29/44/557162944.db2.gz JPBYTMNCQPBONQ-UHFFFAOYSA-N 0 0 440.554 3.816 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000206786726 557163520 /nfs/dbraw/zinc/16/35/20/557163520.db2.gz LHIGVEVTETVNGD-LBPRGKRZSA-N 0 0 444.251 3.880 50 0 IHAARN O=S(=O)(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2c(c1)CCCC2 ZINC000206791228 557163791 /nfs/dbraw/zinc/16/37/91/557163791.db2.gz NTZFAOWAJFYIEJ-QGZVFWFLSA-N 0 0 425.476 3.536 50 0 IHAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000024829049 557164584 /nfs/dbraw/zinc/16/45/84/557164584.db2.gz AXPHRXUBMKMKEA-UHFFFAOYSA-N 0 0 448.498 3.965 50 0 IHAARN C[C@@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000069923631 557166262 /nfs/dbraw/zinc/16/62/62/557166262.db2.gz PYQZBVFXPRPHTA-IYBDPMFKSA-N 0 0 449.444 3.588 50 0 IHAARN Cn1c(SCCS(=O)(=O)c2ccc(Br)cc2)nnc1-c1cccs1 ZINC000024835421 557166406 /nfs/dbraw/zinc/16/64/06/557166406.db2.gz PFSMCBHYUDRHKF-UHFFFAOYSA-N 0 0 444.401 3.872 50 0 IHAARN CS(=O)(=O)N1CCCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000024777689 557167037 /nfs/dbraw/zinc/16/70/37/557167037.db2.gz TWNSNPCQULZGEH-UHFFFAOYSA-N 0 0 441.475 3.557 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000024778682 557167468 /nfs/dbraw/zinc/16/74/68/557167468.db2.gz GIWXAGFFKKSBRD-OAQYLSRUSA-N 0 0 441.578 3.641 50 0 IHAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024785249 557167824 /nfs/dbraw/zinc/16/78/24/557167824.db2.gz TYFPQSMULMKUIE-HNNXBMFYSA-N 0 0 446.488 3.783 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000024791686 557168016 /nfs/dbraw/zinc/16/80/16/557168016.db2.gz MQJKVICBYQTVQB-HZPDHXFCSA-N 0 0 430.526 3.634 50 0 IHAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000024820505 557169021 /nfs/dbraw/zinc/16/90/21/557169021.db2.gz GDOVKFUOYPLAOH-INIZCTEOSA-N 0 0 426.904 3.674 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)o2)cc1 ZINC000018480244 557169322 /nfs/dbraw/zinc/16/93/22/557169322.db2.gz MOUXSMXOEDZANZ-SJKOYZFVSA-N 0 0 425.466 3.853 50 0 IHAARN C[C@H](Oc1ccccc1F)c1nnc(SCCC(=O)NC(=O)NCc2ccccc2)o1 ZINC000024828652 557169506 /nfs/dbraw/zinc/16/95/06/557169506.db2.gz SZVPOCFZOXVDLD-AWEZNQCLSA-N 0 0 444.488 3.857 50 0 IHAARN CC(C)c1cc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 ZINC000024831962 557170947 /nfs/dbraw/zinc/17/09/47/557170947.db2.gz JQXIEKLHEROCJH-MRXNPFEDSA-N 0 0 444.557 3.558 50 0 IHAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000024835608 557171901 /nfs/dbraw/zinc/17/19/01/557171901.db2.gz WFKFUTMCCROLNT-NRFANRHFSA-N 0 0 435.911 3.983 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000024838792 557172670 /nfs/dbraw/zinc/17/26/70/557172670.db2.gz ROCLSXMPANLKFF-UHFFFAOYSA-N 0 0 445.500 3.816 50 0 IHAARN O=C(CCc1cnn(-c2ccccc2)c1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024863927 557172950 /nfs/dbraw/zinc/17/29/50/557172950.db2.gz LJOQKBIGCSFPSH-UHFFFAOYSA-N 0 0 430.489 3.771 50 0 IHAARN O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024868743 557174049 /nfs/dbraw/zinc/17/40/49/557174049.db2.gz OFXITXHGIYFVEF-CQSZACIVSA-N 0 0 435.293 3.844 50 0 IHAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4nnc(C(C)C)s4)n3C)oc21 ZINC000008884764 557177744 /nfs/dbraw/zinc/17/77/44/557177744.db2.gz DCRSNNKJIMHDME-UHFFFAOYSA-N 0 0 444.542 3.943 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 ZINC000024923690 557178954 /nfs/dbraw/zinc/17/89/54/557178954.db2.gz URNUMYTWKNWOBV-CVEARBPZSA-N 0 0 440.540 3.640 50 0 IHAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000024978192 557184959 /nfs/dbraw/zinc/18/49/59/557184959.db2.gz DPKTWNXDAILQIN-INIZCTEOSA-N 0 0 442.562 3.901 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009302827 557185814 /nfs/dbraw/zinc/18/58/14/557185814.db2.gz RITUSASXRJGZLL-CYBMUJFWSA-N 0 0 433.559 3.770 50 0 IHAARN COc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1C ZINC000009329036 557187217 /nfs/dbraw/zinc/18/72/17/557187217.db2.gz PDRPGSNZGVXHPJ-CYBMUJFWSA-N 0 0 433.559 3.595 50 0 IHAARN COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1 ZINC000009329031 557187251 /nfs/dbraw/zinc/18/72/51/557187251.db2.gz DLMCBXUIWLGFGP-CYBMUJFWSA-N 0 0 433.559 3.595 50 0 IHAARN O=S(=O)(c1nc(-c2ccc(Br)cc2)oc1N1CCOCC1)c1ccccc1 ZINC000000787806 557187865 /nfs/dbraw/zinc/18/78/65/557187865.db2.gz GWHHGKJMBKJKRN-UHFFFAOYSA-N 0 0 449.326 3.774 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2cc(=O)oc3cc(OC)ccc23)c1 ZINC000024992425 557188034 /nfs/dbraw/zinc/18/80/34/557188034.db2.gz OVGJUCMLZOPDCX-UHFFFAOYSA-N 0 0 430.526 3.753 50 0 IHAARN CCNC(=O)COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)cc1 ZINC000025044455 557190421 /nfs/dbraw/zinc/19/04/21/557190421.db2.gz GTTKWSBSEJDCKF-UHFFFAOYSA-N 0 0 438.484 3.969 50 0 IHAARN CCOc1cccc2s/c(=N/C(=O)c3ccccc3I)n(C)c21 ZINC000100878929 557197879 /nfs/dbraw/zinc/19/78/79/557197879.db2.gz JTVVFZAUDUTHEO-HTXNQAPBSA-N 0 0 438.290 3.984 50 0 IHAARN CC[C@@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096317086 557198787 /nfs/dbraw/zinc/19/87/87/557198787.db2.gz XYMIPLPFKOTMBQ-MRXNPFEDSA-N 0 0 434.581 3.500 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100894637 557198966 /nfs/dbraw/zinc/19/89/66/557198966.db2.gz XHIUGZYYOUMTJI-FQEVSTJZSA-N 0 0 438.867 3.916 50 0 IHAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)[C@H]3CCOC3)CC2)cc1 ZINC000096317328 557199222 /nfs/dbraw/zinc/19/92/22/557199222.db2.gz XLKBMNWIBQXHIF-QFIPXVFZSA-N 0 0 436.600 3.568 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC(F)F)c(OC)c2)c1C ZINC000013985068 557204768 /nfs/dbraw/zinc/20/47/68/557204768.db2.gz GHDCKOCMQKGCAB-GFCCVEGCSA-N 0 0 439.411 3.846 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(C(F)(F)F)c2)s1 ZINC000025364483 557205951 /nfs/dbraw/zinc/20/59/51/557205951.db2.gz CGGGRVFARWPBCA-OAHLLOKOSA-N 0 0 432.489 3.545 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100948622 557206107 /nfs/dbraw/zinc/20/61/07/557206107.db2.gz ABDDYAVXEVEATF-NRFANRHFSA-N 0 0 441.553 3.750 50 0 IHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OC[C@@H]3CCCO3)c2)cc1 ZINC000025397199 557207939 /nfs/dbraw/zinc/20/79/39/557207939.db2.gz QHNHWINHNNEVEZ-IBGZPJMESA-N 0 0 433.526 3.555 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c(OC)c1 ZINC000025424966 557209260 /nfs/dbraw/zinc/20/92/60/557209260.db2.gz RRUYMXBVPVOZNI-UHFFFAOYSA-N 0 0 437.477 3.517 50 0 IHAARN O=C(OCc1csc(-c2ccco2)n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000025438047 557209666 /nfs/dbraw/zinc/20/96/66/557209666.db2.gz JKJRTOMOTFHCAM-UHFFFAOYSA-N 0 0 432.523 3.547 50 0 IHAARN Ic1ccccc1Nc1nc2nonc2[nH]c1=NNc1ccccc1 ZINC000000797358 557212106 /nfs/dbraw/zinc/21/21/06/557212106.db2.gz PALGWQCPFSKFKV-UHFFFAOYSA-N 0 0 445.224 3.800 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000100999065 557212123 /nfs/dbraw/zinc/21/21/23/557212123.db2.gz GQTYNSLTQMNCRB-GOSISDBHSA-N 0 0 435.871 3.650 50 0 IHAARN CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000025720764 557223557 /nfs/dbraw/zinc/22/35/57/557223557.db2.gz XNIMJEAHVAVFQC-UHFFFAOYSA-N 0 0 427.548 3.917 50 0 IHAARN O=C(CSCc1cc(=O)n2ccsc2n1)N[C@H](c1cccs1)c1ccccc1 ZINC000025775693 557225540 /nfs/dbraw/zinc/22/55/40/557225540.db2.gz KQLNPCOEADBONL-IBGZPJMESA-N 0 0 427.576 3.957 50 0 IHAARN COc1ccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000011656667 557227247 /nfs/dbraw/zinc/22/72/47/557227247.db2.gz PDHUWJCWYIKSDX-KRWDZBQOSA-N 0 0 432.542 3.666 50 0 IHAARN COc1ccc(-c2nc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cs2)cc1OC ZINC000025842737 557228447 /nfs/dbraw/zinc/22/84/47/557228447.db2.gz JSKNEFWGNSUJIZ-UHFFFAOYSA-N 0 0 439.493 3.717 50 0 IHAARN CCOc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(NC(=O)C3CC3)cc2)C(C)C)cc1 ZINC000025849030 557228475 /nfs/dbraw/zinc/22/84/75/557228475.db2.gz AKQNXZVQDUVFBZ-QFIPXVFZSA-N 0 0 437.540 3.505 50 0 IHAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000011528010 557229783 /nfs/dbraw/zinc/22/97/83/557229783.db2.gz ZKSKRFYDORXBHK-YOEHRIQHSA-N 0 0 437.993 3.873 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000097964579 557230994 /nfs/dbraw/zinc/23/09/94/557230994.db2.gz GAJPJLXYIVANED-MXBUBSDBSA-N 0 0 443.330 3.592 50 0 biogenic IHAARN O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1c(F)cccc1Cl ZINC000011693871 557232835 /nfs/dbraw/zinc/23/28/35/557232835.db2.gz CZXIDHPQJHUBRF-UHFFFAOYSA-N 0 0 429.814 3.532 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000026069466 557233661 /nfs/dbraw/zinc/23/36/61/557233661.db2.gz RFMRACXIEVPMEN-XMMPIXPASA-N 0 0 449.518 3.626 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018061404 557234717 /nfs/dbraw/zinc/23/47/17/557234717.db2.gz RDKFKJJETCYGCY-VXNXHJTFSA-N 0 0 441.487 3.692 50 0 IHAARN COc1cc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc(OC)c1OC ZINC000098212813 557236011 /nfs/dbraw/zinc/23/60/11/557236011.db2.gz NDUMYISKDUJAMP-UHFFFAOYSA-N 0 0 442.541 3.563 50 0 IHAARN COc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1OC ZINC000098212906 557236119 /nfs/dbraw/zinc/23/61/19/557236119.db2.gz JMHMPDNFMMXUDO-UHFFFAOYSA-N 0 0 438.503 3.561 50 0 IHAARN COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCC(C)C ZINC000018099885 557236959 /nfs/dbraw/zinc/23/69/59/557236959.db2.gz JDKXOSHSYODQMR-UHFFFAOYSA-N 0 0 429.904 3.892 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 ZINC000026423804 557240947 /nfs/dbraw/zinc/24/09/47/557240947.db2.gz DOKLUWKFSLPVHF-UHFFFAOYSA-N 0 0 428.587 3.574 50 0 IHAARN CCN1c2cc(C(=O)NCc3cc(OC)ccc3OC)ccc2C(=O)N2CCCCC[C@H]12 ZINC000583649032 557241860 /nfs/dbraw/zinc/24/18/60/557241860.db2.gz NPELYIDPYXWDOT-HSZRJFAPSA-N 0 0 437.540 3.816 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC[C@@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000583649060 557241904 /nfs/dbraw/zinc/24/19/04/557241904.db2.gz SASOAOMQVLOGIL-NRFANRHFSA-N 0 0 432.307 3.720 50 0 IHAARN C[C@@H]1c2cccn2CCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000026474222 557242171 /nfs/dbraw/zinc/24/21/71/557242171.db2.gz CONPMDMFPOWUBV-CYBMUJFWSA-N 0 0 442.869 3.634 50 0 IHAARN COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1OCc1ccccc1 ZINC000018160852 557244290 /nfs/dbraw/zinc/24/42/90/557244290.db2.gz IMLGUGTWLZHULK-HXUWFJFHSA-N 0 0 434.492 3.532 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(CNC(N)=O)cc1 ZINC000026561768 557244849 /nfs/dbraw/zinc/24/48/49/557244849.db2.gz BDESEPPBNWOXCV-UHFFFAOYSA-N 0 0 430.457 3.742 50 0 IHAARN Cc1cc2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c3ccccc3n2n1 ZINC000026696877 557246775 /nfs/dbraw/zinc/24/67/75/557246775.db2.gz CUIKNRGMJJSCIM-UHFFFAOYSA-N 0 0 429.480 3.775 50 0 IHAARN COc1c2c(c(CNC(=O)c3ccc(-c4ccccc4)cc3)c3c1C(=O)N(C)CC3)OCO2 ZINC000604404098 557246983 /nfs/dbraw/zinc/24/69/83/557246983.db2.gz JADNBQYAWNXMSF-UHFFFAOYSA-N 0 0 444.487 3.649 50 0 biogenic IHAARN COc1ncccc1NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604404283 557247252 /nfs/dbraw/zinc/24/72/52/557247252.db2.gz AYVAEQUFHDPCOR-QHCPKHFHSA-N 0 0 442.475 3.624 50 0 biogenic IHAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O ZINC000026777954 557248165 /nfs/dbraw/zinc/24/81/65/557248165.db2.gz XEMIIEZQNRFUNR-QFIPXVFZSA-N 0 0 439.855 3.777 50 0 IHAARN COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604418784 557250685 /nfs/dbraw/zinc/25/06/85/557250685.db2.gz CNGKYJYDNOYPIF-LJQANCHMSA-N 0 0 447.491 3.783 50 0 IHAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC(N)=O)Cc3ccccc3)cc12 ZINC000018235187 557253742 /nfs/dbraw/zinc/25/37/42/557253742.db2.gz NEGFSNDVWWMEDJ-UHFFFAOYSA-N 0 0 432.549 3.972 50 0 IHAARN CCn1c2ccc(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2nc(C)c1=O ZINC000027015902 557253937 /nfs/dbraw/zinc/25/39/37/557253937.db2.gz PWSOUNZLBVLAEN-UHFFFAOYSA-N 0 0 429.524 3.516 50 0 IHAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 ZINC000101151189 557256803 /nfs/dbraw/zinc/25/68/03/557256803.db2.gz VUJWYRDCTFUKHF-NRFANRHFSA-N 0 0 429.480 3.649 50 0 IHAARN CCc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1 ZINC000101160261 557257337 /nfs/dbraw/zinc/25/73/37/557257337.db2.gz HNTCOBGIIHRDLH-DHIUTWEWSA-N 0 0 445.563 3.891 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)c1 ZINC000101160839 557257399 /nfs/dbraw/zinc/25/73/99/557257399.db2.gz GZWMLEGJIBVNQV-UHFFFAOYSA-N 0 0 438.553 3.915 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000027142723 557257903 /nfs/dbraw/zinc/25/79/03/557257903.db2.gz FYFBXWNQWZLCMS-DEOSSOPVSA-N 0 0 431.536 3.902 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000027254479 557259374 /nfs/dbraw/zinc/25/93/74/557259374.db2.gz SVZIWBNIDYCWSP-DNQXCXABSA-N 0 0 442.563 3.943 50 0 IHAARN CCCCn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O ZINC000027402757 557261898 /nfs/dbraw/zinc/26/18/98/557261898.db2.gz NZUMXIUOJJELTH-HXUWFJFHSA-N 0 0 433.508 3.945 50 0 IHAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000101190003 557262974 /nfs/dbraw/zinc/26/29/74/557262974.db2.gz UVAZWQPBCIEZCG-XPWALMASSA-N 0 0 446.434 3.802 50 0 IHAARN CCCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-n1cccc1 ZINC000027526549 557263500 /nfs/dbraw/zinc/26/35/00/557263500.db2.gz SQQPMCRMZXJBAM-UHFFFAOYSA-N 0 0 438.326 3.976 50 0 IHAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 ZINC000100594839 557265707 /nfs/dbraw/zinc/26/57/07/557265707.db2.gz VNWPAHHRXQZSNJ-MSOLQXFVSA-N 0 0 448.449 3.569 50 0 IHAARN Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1C ZINC000100619281 557265994 /nfs/dbraw/zinc/26/59/94/557265994.db2.gz JIDICQFXFCGUHH-CGNZLSCGSA-N 0 0 425.525 3.763 50 0 IHAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1 ZINC000100659468 557268748 /nfs/dbraw/zinc/26/87/48/557268748.db2.gz CPEZEKKRZZXPJI-FUHWJXTLSA-N 0 0 448.449 3.569 50 0 IHAARN CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000027743610 557272159 /nfs/dbraw/zinc/27/21/59/557272159.db2.gz ISPPEWVYTJLYSO-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN COc1ccccc1C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027745685 557272521 /nfs/dbraw/zinc/27/25/21/557272521.db2.gz DXINLJMUFNLEBV-HNNXBMFYSA-N 0 0 428.337 3.832 50 0 IHAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H](c3ccco3)N(C)C)C2=O)c1 ZINC000101503270 557290225 /nfs/dbraw/zinc/29/02/25/557290225.db2.gz JPSXHFNNMMHHKZ-VAZXNAHHSA-N 0 0 431.492 3.709 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)nc1 ZINC000101469798 557290452 /nfs/dbraw/zinc/29/04/52/557290452.db2.gz YZHZQNPHOATKHL-UHFFFAOYSA-N 0 0 431.473 3.793 50 0 IHAARN CCOc1ccccc1NC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCC(C)CC2)cc1 ZINC000101601538 557291322 /nfs/dbraw/zinc/29/13/22/557291322.db2.gz SKZRULSNSINPCE-UHFFFAOYSA-N 0 0 447.535 3.782 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000101628117 557292969 /nfs/dbraw/zinc/29/29/69/557292969.db2.gz OHKOFABCKWOHNQ-SFTDATJTSA-N 0 0 440.565 3.885 50 0 IHAARN CC[C@@](C)(CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 ZINC000072306338 557294116 /nfs/dbraw/zinc/29/41/16/557294116.db2.gz BHLGMVGAYDXUOD-CYFREDJKSA-N 0 0 431.577 3.925 50 0 IHAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000102052427 557298323 /nfs/dbraw/zinc/29/83/23/557298323.db2.gz GGKVVBUBRXIYGX-RXVVDRJESA-N 0 0 443.503 3.611 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000102081108 557298758 /nfs/dbraw/zinc/29/87/58/557298758.db2.gz NTYHAIHECWWSLF-LPTQZCDUSA-N 0 0 435.476 3.661 50 0 IHAARN O=C(CCN1C(=O)CSc2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000014077286 557299357 /nfs/dbraw/zinc/29/93/57/557299357.db2.gz NSICDZOTUVPGEZ-UHFFFAOYSA-N 0 0 432.929 3.647 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(OC)c3)CC2=O)cc1 ZINC000101881802 557305663 /nfs/dbraw/zinc/30/56/63/557305663.db2.gz XQNXMPZIKURJHB-UHFFFAOYSA-N 0 0 444.491 3.985 50 0 IHAARN C[C@H](NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)c1ccc(Cl)cc1 ZINC000102083432 557312495 /nfs/dbraw/zinc/31/24/95/557312495.db2.gz BIOLLDCAYLHMMT-MOEWQIFZSA-N 0 0 428.838 3.503 50 0 IHAARN NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000032761050 557315275 /nfs/dbraw/zinc/31/52/75/557315275.db2.gz VFANBULXIKAQEI-FPYGCLRLSA-N 0 0 426.778 3.653 50 0 IHAARN Cc1cc(C(=O)COC(=O)CCC(=O)Nc2nccs2)c(C)n1Cc1cccs1 ZINC000032922067 557318139 /nfs/dbraw/zinc/31/81/39/557318139.db2.gz ACVVIALTOJIMNY-UHFFFAOYSA-N 0 0 431.539 3.816 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100123843 557319098 /nfs/dbraw/zinc/31/90/98/557319098.db2.gz KJVGAKSWUZWNON-ZRBLBEILSA-N 0 0 430.460 3.755 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128169 557324945 /nfs/dbraw/zinc/32/49/45/557324945.db2.gz HYLBGEGCHZDHSQ-HNNXBMFYSA-N 0 0 443.956 4.000 50 0 IHAARN O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@@H](O)CO)cc21 ZINC000072319692 557333678 /nfs/dbraw/zinc/33/36/78/557333678.db2.gz HXMGCTFLLWPVFM-SFHVURJKSA-N 0 0 425.431 3.770 50 0 in-vitro IHAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000014357646 557335706 /nfs/dbraw/zinc/33/57/06/557335706.db2.gz YKWSYHLCGOATOU-UHFFFAOYSA-N 0 0 428.485 3.544 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3F)CC2)nc1)c1ccccc1F ZINC000023330511 557340819 /nfs/dbraw/zinc/34/08/19/557340819.db2.gz LJRUUKVJPGXDPJ-UHFFFAOYSA-N 0 0 440.425 3.714 50 0 IHAARN CCOc1ccc(CCC2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC000102588255 557356433 /nfs/dbraw/zinc/35/64/33/557356433.db2.gz VCTJBMZFSFZQOV-OFAXGOBFSA-N 0 0 438.568 3.596 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102752939 557383427 /nfs/dbraw/zinc/38/34/27/557383427.db2.gz QBRWSSZSUDHTHM-DNVJHFABSA-N 0 0 448.450 3.981 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccc(I)cc2)=Nc2ncnn21 ZINC000102798689 557389448 /nfs/dbraw/zinc/38/94/48/557389448.db2.gz NDMPQWKHFRYCEW-MRXNPFEDSA-N 0 0 430.249 3.947 50 0 IHAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccccc4Cl)CC3)C2=O)cc1 ZINC000011694139 557392213 /nfs/dbraw/zinc/39/22/13/557392213.db2.gz VFPKQSJHBAMFGF-UHFFFAOYSA-N 0 0 426.904 3.767 50 0 IHAARN NC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)cc1 ZINC000011694443 557392478 /nfs/dbraw/zinc/39/24/78/557392478.db2.gz HGQLQGSMESCWDH-UHFFFAOYSA-N 0 0 430.439 3.942 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)n1 ZINC000011695432 557393187 /nfs/dbraw/zinc/39/31/87/557393187.db2.gz CYFOUWZDZGRQGO-UHFFFAOYSA-N 0 0 435.831 3.514 50 0 IHAARN COc1cc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc(OC)c1OC ZINC000011695443 557393225 /nfs/dbraw/zinc/39/32/25/557393225.db2.gz AMGJWDOLSNABHQ-UHFFFAOYSA-N 0 0 440.275 3.839 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000013955916 557397742 /nfs/dbraw/zinc/39/77/42/557397742.db2.gz LKNYWSANONXUQD-QGZVFWFLSA-N 0 0 437.569 3.757 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013955977 557397900 /nfs/dbraw/zinc/39/79/00/557397900.db2.gz WFWKNZLIKFWGFU-PKOBYXMFSA-N 0 0 443.617 3.883 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 ZINC000013956628 557398610 /nfs/dbraw/zinc/39/86/10/557398610.db2.gz MWXBJJTZPKPUBN-INIZCTEOSA-N 0 0 429.590 3.717 50 0 IHAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCCC(C)C)c(C)n3n2)c1 ZINC000004936119 557411132 /nfs/dbraw/zinc/41/11/32/557411132.db2.gz KBSRNGWHLWXNRG-UHFFFAOYSA-N 0 0 425.533 3.520 50 0 IHAARN CC[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000408516910 557411986 /nfs/dbraw/zinc/41/19/86/557411986.db2.gz AKHVSLFAGOVJTP-KZNAEPCWSA-N 0 0 431.581 3.704 50 0 IHAARN C[C@@H](NC(=O)CCNC(=O)c1c[nH]c2ccccc12)[C@H](c1ccccc1Cl)n1cccn1 ZINC000408517534 557412401 /nfs/dbraw/zinc/41/24/01/557412401.db2.gz KXIHEWJPTQVNGN-WAIKUNEKSA-N 0 0 449.942 3.932 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000004943906 557412955 /nfs/dbraw/zinc/41/29/55/557412955.db2.gz DIGDCQDGXDUSLA-MRXNPFEDSA-N 0 0 425.485 3.878 50 0 IHAARN O=C(NC1CCCCCCC1)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1 ZINC000004956353 557415322 /nfs/dbraw/zinc/41/53/22/557415322.db2.gz YCQSYHSVJCDXSR-UHFFFAOYSA-N 0 0 429.605 3.720 50 0 IHAARN Cc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccco4)CC3)n12 ZINC000103323475 557433815 /nfs/dbraw/zinc/43/38/15/557433815.db2.gz APQFLCLHBBYOJF-UHFFFAOYSA-N 0 0 438.491 3.808 50 0 IHAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000024504641 557437189 /nfs/dbraw/zinc/43/71/89/557437189.db2.gz UELFFBOJHXLIOS-INIZCTEOSA-N 0 0 441.487 3.998 50 0 IHAARN CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccc(F)cc1 ZINC000024539252 557441741 /nfs/dbraw/zinc/44/17/41/557441741.db2.gz AFEZHJPTNJHKBH-UHFFFAOYSA-N 0 0 430.505 3.637 50 0 IHAARN C[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000104011447 557449454 /nfs/dbraw/zinc/44/94/54/557449454.db2.gz UPNLMSNJAIQOAC-LKYTVXRUSA-N 0 0 440.543 3.740 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000104883437 557463411 /nfs/dbraw/zinc/46/34/11/557463411.db2.gz HDKYXMMRUSNBPA-QZTJIDSGSA-N 0 0 436.556 3.833 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000051316092 557464145 /nfs/dbraw/zinc/46/41/45/557464145.db2.gz KDDGJSPIZZVJIH-UHFFFAOYSA-N 0 0 427.504 3.970 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000051316432 557464263 /nfs/dbraw/zinc/46/42/63/557464263.db2.gz COFDWEGBIWKZQN-UHFFFAOYSA-N 0 0 449.536 3.801 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c1 ZINC000051317891 557469576 /nfs/dbraw/zinc/46/95/76/557469576.db2.gz ABVNMXQCEHBSTO-UHFFFAOYSA-N 0 0 445.317 3.594 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F ZINC000105010362 557472034 /nfs/dbraw/zinc/47/20/34/557472034.db2.gz LXPJIBQIFKAYPI-DHIUTWEWSA-N 0 0 437.515 3.921 50 0 IHAARN CN1OC[C@H](S(=O)(=O)NCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000105025280 557473138 /nfs/dbraw/zinc/47/31/38/557473138.db2.gz QNXHNVLMCWGPBQ-ZEQRLZLVSA-N 0 0 438.549 3.672 50 0 IHAARN O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000110325777 557512965 /nfs/dbraw/zinc/51/29/65/557512965.db2.gz SSAHOWUXRDKWJH-OFQRWUPVSA-N 0 0 444.921 3.591 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@H](C)O1 ZINC000046844077 557512977 /nfs/dbraw/zinc/51/29/77/557512977.db2.gz XQUPNPJLIVFUQG-GQIGUUNPSA-N 0 0 434.583 3.523 50 0 IHAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000046814455 557513053 /nfs/dbraw/zinc/51/30/53/557513053.db2.gz VFMRNMLLRMJTCX-UHFFFAOYSA-N 0 0 445.541 3.532 50 0 IHAARN Cc1ccc(Cn2c(CNS(=O)(=O)c3cccc(Cl)c3)nc3cccnc32)cc1 ZINC000047146088 557517479 /nfs/dbraw/zinc/51/74/79/557517479.db2.gz WUGJIOLSYCMXQM-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)c1 ZINC000047146558 557517976 /nfs/dbraw/zinc/51/79/76/557517976.db2.gz ASIDCNYFBYRZOM-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN Cc1cc(C)cc(-n2c(CN3CCN(C(=O)NCc4ccco4)CC3)nc3cccnc32)c1 ZINC000047147871 557518026 /nfs/dbraw/zinc/51/80/26/557518026.db2.gz WIWCOOMNZZCJJP-UHFFFAOYSA-N 0 0 444.539 3.658 50 0 IHAARN O=C1CCC[C@]2(O)[C@H]1[C@@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 ZINC000013144282 557521886 /nfs/dbraw/zinc/52/18/86/557521886.db2.gz WZFPULSDAOVPET-SBHAEUEKSA-N 0 0 429.314 3.773 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@@H](C(=O)N[C@H](C)c4ccccc4)C3)ccc2=O)cc1 ZINC000106328918 557527960 /nfs/dbraw/zinc/52/79/60/557527960.db2.gz ACEIJDPLRNCLAZ-DENIHFKCSA-N 0 0 430.552 3.889 50 0 IHAARN CCOC(=O)[C@@](NC(=O)Nc1nc2ccccc2s1)(OCC(F)(F)F)C(F)(F)F ZINC000003668629 557529327 /nfs/dbraw/zinc/52/93/27/557529327.db2.gz CMPKDCCZKVNLJH-CQSZACIVSA-N 0 0 445.341 3.818 50 0 biogenic IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000106756455 557532239 /nfs/dbraw/zinc/53/22/39/557532239.db2.gz JBQKNBOPOYOXCD-VJBWXMMDSA-N 0 0 445.519 3.633 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(-n3cncn3)cc2)C[C@H]2CCCC[C@@H]21 ZINC000106860569 557532966 /nfs/dbraw/zinc/53/29/66/557532966.db2.gz RNPNQAMQFIAFCP-WTNAPCKOSA-N 0 0 445.523 3.688 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000107177452 557535492 /nfs/dbraw/zinc/53/54/92/557535492.db2.gz RWNHVTYCERGCSB-WBADGQHESA-N 0 0 440.455 3.687 50 0 IHAARN COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000005753712 557545946 /nfs/dbraw/zinc/54/59/46/557545946.db2.gz KKZATDPOLLCYPZ-OAQYLSRUSA-N 0 0 425.485 3.596 50 0 IHAARN O=C(OC[C@H]1CCCO1)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)cc1 ZINC000045901640 557546663 /nfs/dbraw/zinc/54/66/63/557546663.db2.gz QBRKFFSNCYZRQW-LJQANCHMSA-N 0 0 434.496 3.546 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c(OC)c1 ZINC000045943013 557552222 /nfs/dbraw/zinc/55/22/22/557552222.db2.gz XJLGNIVOQVQBKA-UHFFFAOYSA-N 0 0 427.457 3.715 50 0 IHAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000045961995 557557051 /nfs/dbraw/zinc/55/70/51/557557051.db2.gz KFEZNPYNOLXGLN-UHFFFAOYSA-N 0 0 430.482 3.592 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1 ZINC000045970051 557557535 /nfs/dbraw/zinc/55/75/35/557557535.db2.gz VEIKVPNZOYLHIU-UHFFFAOYSA-N 0 0 441.447 3.501 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000039210199 557633962 /nfs/dbraw/zinc/63/39/62/557633962.db2.gz BZESQXXUKJVWMT-UHFFFAOYSA-N 0 0 437.258 3.552 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000040087397 557688805 /nfs/dbraw/zinc/68/88/05/557688805.db2.gz HHJHKMRUIMPPEV-UHFFFAOYSA-N 0 0 449.916 3.983 50 0 IHAARN C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1)c1ccc(Br)cn1 ZINC000225434831 557722617 /nfs/dbraw/zinc/72/26/17/557722617.db2.gz DXDNZEIPBQAFHV-LLVKDONJSA-N 0 0 430.281 3.932 50 0 IHAARN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000225444505 557723387 /nfs/dbraw/zinc/72/33/87/557723387.db2.gz NGCSJTNRFFGLEI-KBPBESRZSA-N 0 0 426.738 3.837 50 0 IHAARN COc1ccc(CN(CCc2ccccn2)c2cc(C(F)(F)F)nc3ncnn32)cc1 ZINC000225462482 557725589 /nfs/dbraw/zinc/72/55/89/557725589.db2.gz HTOQHZPPJRLREU-UHFFFAOYSA-N 0 0 428.418 3.796 50 0 IHAARN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[C@@H]1O ZINC000225743446 557771793 /nfs/dbraw/zinc/77/17/93/557771793.db2.gz DRYPBXVOCZPFQD-MRHIQRDNSA-N 0 0 432.344 3.606 50 0 IHAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000226873142 557810249 /nfs/dbraw/zinc/81/02/49/557810249.db2.gz OSVXOABBDNRLRR-RBZQAINGSA-N 0 0 444.487 3.838 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000227031640 557811550 /nfs/dbraw/zinc/81/15/50/557811550.db2.gz DURIVYJWBKVZRM-MANSERQUSA-N 0 0 429.303 3.829 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000226990369 557811616 /nfs/dbraw/zinc/81/16/16/557811616.db2.gz VARQVJBNNLKMKN-YTFSRNRJSA-N 0 0 448.450 3.894 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3O[C@](O)(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1 ZINC000229976739 557834536 /nfs/dbraw/zinc/83/45/36/557834536.db2.gz MCNZCLWFSJUCRG-ZEVJAHDQSA-N 0 0 428.488 3.851 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)c1 ZINC000003024915 557841765 /nfs/dbraw/zinc/84/17/65/557841765.db2.gz LACXJDWAXKQITQ-UHFFFAOYSA-N 0 0 436.505 3.706 50 0 IHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@H]2C1 ZINC000239274945 557843519 /nfs/dbraw/zinc/84/35/19/557843519.db2.gz AZDCWFCABWWOPR-YAKVFXAGSA-N 0 0 446.503 3.571 50 0 IHAARN Fc1cccnc1OC1CCN(c2nnc(-c3ccco3)n2C[C@@H]2CCCCO2)CC1 ZINC000239619568 557844783 /nfs/dbraw/zinc/84/47/83/557844783.db2.gz BFOQWJMRDYNZBU-KRWDZBQOSA-N 0 0 427.480 3.689 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000015014730 557855371 /nfs/dbraw/zinc/85/53/71/557855371.db2.gz AIBJLHHDDFENMG-UHFFFAOYSA-N 0 0 438.908 3.721 50 0 IHAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000025057027 557858872 /nfs/dbraw/zinc/85/88/72/557858872.db2.gz BZGYQJLDZXISAN-UHFFFAOYSA-N 0 0 430.457 3.790 50 0 IHAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000001394780 562921651 /nfs/dbraw/zinc/92/16/51/562921651.db2.gz AAOCSIJBSWKPFU-UHFFFAOYSA-N 0 0 445.522 3.968 50 0 IHAARN COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3c(OC)cccc3OC)cc21 ZINC000002219421 562926409 /nfs/dbraw/zinc/92/64/09/562926409.db2.gz NDPWLCQHMHLUHD-UHFFFAOYSA-N 0 0 427.453 3.526 50 0 IHAARN Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1C1CCCCC1 ZINC000002395598 562927384 /nfs/dbraw/zinc/92/73/84/562927384.db2.gz MMOXVFHRRXHIFA-UHFFFAOYSA-N 0 0 446.321 3.811 50 0 IHAARN COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(Br)cc1F ZINC000002640978 562929049 /nfs/dbraw/zinc/92/90/49/562929049.db2.gz ZFTKNHYKPJMYDU-UHFFFAOYSA-N 0 0 426.238 3.548 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1Cc1ccco1 ZINC000002647371 562929230 /nfs/dbraw/zinc/92/92/30/562929230.db2.gz DKTHQTYDYXDXIK-RUZDIDTESA-N 0 0 431.492 3.713 50 0 aggregator IHAARN CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OCC ZINC000002657545 562929542 /nfs/dbraw/zinc/92/95/42/562929542.db2.gz VNNFNQYJVBIDAE-NRFANRHFSA-N 0 0 439.556 3.548 50 0 IHAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1C[C@H]1COc2ccccc2O1 ZINC000003037470 562932031 /nfs/dbraw/zinc/93/20/31/562932031.db2.gz PBNKHWBSIYLRBI-GBXCKJPGSA-N 0 0 438.499 3.710 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)Nc1ccc(C)c(C)c1 ZINC000003048103 562932225 /nfs/dbraw/zinc/93/22/25/562932225.db2.gz WOFAMZWZAGNJDE-UHFFFAOYSA-N 0 0 428.510 3.631 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1C ZINC000003300178 562933905 /nfs/dbraw/zinc/93/39/05/562933905.db2.gz YSMCQKLGUHZKHZ-VWLOTQADSA-N 0 0 447.491 3.611 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003333527 562934378 /nfs/dbraw/zinc/93/43/78/562934378.db2.gz GCMZLAFJSSDEIC-UHFFFAOYSA-N 0 0 437.443 3.850 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000003341675 562934454 /nfs/dbraw/zinc/93/44/54/562934454.db2.gz PDEJTUOQCLBXHK-QGZVFWFLSA-N 0 0 431.492 3.981 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003417939 562935491 /nfs/dbraw/zinc/93/54/91/562935491.db2.gz IYZCNDKUSPZJBJ-AWEZNQCLSA-N 0 0 430.302 3.653 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000003492928 562936284 /nfs/dbraw/zinc/93/62/84/562936284.db2.gz GIXHWKYBMULRCW-KRWDZBQOSA-N 0 0 431.949 3.888 50 0 aggregator IHAARN COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c1OC ZINC000004211051 562942685 /nfs/dbraw/zinc/94/26/85/562942685.db2.gz XUOYDNCHZBPNIY-SSEXGKCCSA-N 0 0 425.510 3.521 50 0 IHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006346717 562946713 /nfs/dbraw/zinc/94/67/13/562946713.db2.gz CYTJSIMKTPYDFX-UHFFFAOYSA-N 0 0 428.539 3.632 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1 ZINC000006530833 562947200 /nfs/dbraw/zinc/94/72/00/562947200.db2.gz NMPTZNITOHQWRJ-UHFFFAOYSA-N 0 0 438.582 3.637 50 0 IHAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)NCc3ccccc3Cl)c(C)o2)c1 ZINC000006578043 562948017 /nfs/dbraw/zinc/94/80/17/562948017.db2.gz YXNVMQSZIZAJIX-GDLZYMKVSA-N 0 0 432.929 3.877 50 0 IHAARN Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000008587371 562950255 /nfs/dbraw/zinc/95/02/55/562950255.db2.gz YRKOSDNJVNUITM-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000008589239 562951131 /nfs/dbraw/zinc/95/11/31/562951131.db2.gz MVVCHVOVIYKDRY-UHFFFAOYSA-N 0 0 443.459 3.806 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)c1 ZINC000008594015 562952922 /nfs/dbraw/zinc/95/29/22/562952922.db2.gz QDJFNQKDJPCCJJ-CYBMUJFWSA-N 0 0 443.388 3.858 50 0 aggregator IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)NCc1ccc(Cl)cc1)nc2C ZINC000008593885 562952944 /nfs/dbraw/zinc/95/29/44/562952944.db2.gz NDDHYIBTWNJTFK-UHFFFAOYSA-N 0 0 435.915 3.559 50 0 IHAARN CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2CC ZINC000008596758 562953883 /nfs/dbraw/zinc/95/38/83/562953883.db2.gz KKSNZOYRGXAXRM-UHFFFAOYSA-N 0 0 432.517 3.848 50 0 IHAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000008598864 562954507 /nfs/dbraw/zinc/95/45/07/562954507.db2.gz YIVLGQKVCQFWGG-FCQUAONHSA-N 0 0 428.510 3.650 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008601868 562955658 /nfs/dbraw/zinc/95/56/58/562955658.db2.gz UYALLMMSBMRMQO-HXUWFJFHSA-N 0 0 437.514 3.529 50 0 IHAARN CCOc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc(OCC)c1OCC ZINC000008605474 562956757 /nfs/dbraw/zinc/95/67/57/562956757.db2.gz YZLQGVLNOHPMPO-UHFFFAOYSA-N 0 0 432.498 3.618 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)cc1 ZINC000008611217 562958503 /nfs/dbraw/zinc/95/85/03/562958503.db2.gz SMCGKLDZFCKUNX-UHFFFAOYSA-N 0 0 446.482 3.844 50 0 IHAARN CCc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 ZINC000008611950 562958759 /nfs/dbraw/zinc/95/87/59/562958759.db2.gz CJKAIZMSSKCCIG-UHFFFAOYSA-N 0 0 439.581 3.845 50 0 IHAARN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc(=O)c2c1 ZINC000008612365 562959158 /nfs/dbraw/zinc/95/91/58/562959158.db2.gz FCCZHERWVMITOT-INIZCTEOSA-N 0 0 440.521 3.917 50 0 IHAARN Cn1c2cn(CCc3ccccc3)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000008614051 562959516 /nfs/dbraw/zinc/95/95/16/562959516.db2.gz NWBMRFMVQOOZIK-UHFFFAOYSA-N 0 0 438.325 3.711 50 0 IHAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3ccccc3Cl)n2)cc1 ZINC000008619483 562959892 /nfs/dbraw/zinc/95/98/92/562959892.db2.gz YFYKBMMFFACWFV-UHFFFAOYSA-N 0 0 428.901 3.918 50 0 aggregator IHAARN O=C(OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 ZINC000008670281 562960654 /nfs/dbraw/zinc/96/06/54/562960654.db2.gz FRHLLHACUPDBPI-UHFFFAOYSA-N 0 0 431.817 3.872 50 0 IHAARN CCc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c(O)c2c1 ZINC000008680467 562961551 /nfs/dbraw/zinc/96/15/51/562961551.db2.gz RVJRFPSIGSTLJS-UHFFFAOYSA-N 0 0 439.537 3.564 50 0 IHAARN CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000008681143 562961643 /nfs/dbraw/zinc/96/16/43/562961643.db2.gz LMYWSFQYDOFSBA-UHFFFAOYSA-N 0 0 446.438 3.800 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000008682596 562961752 /nfs/dbraw/zinc/96/17/52/562961752.db2.gz ZMRGZLWEBJORTM-UHFFFAOYSA-N 0 0 433.533 3.837 50 0 aggregator IHAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(S(N)(=O)=O)c3)c2n1 ZINC000008687750 562963039 /nfs/dbraw/zinc/96/30/39/562963039.db2.gz VPQAFOYBFGVMFO-UHFFFAOYSA-N 0 0 440.308 3.515 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000008692724 562963642 /nfs/dbraw/zinc/96/36/42/562963642.db2.gz HGSZOZKYRBIVEN-UHFFFAOYSA-N 0 0 427.526 3.532 50 0 aggregator IHAARN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)NCc1ccc2c(c1)OCO2 ZINC000008774392 562964089 /nfs/dbraw/zinc/96/40/89/562964089.db2.gz JLEHKYBXHFXTBI-UHFFFAOYSA-N 0 0 428.293 3.674 50 0 IHAARN Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCc3ccccn3)s2)CC1=O ZINC000008824629 562964405 /nfs/dbraw/zinc/96/44/05/562964405.db2.gz FYYKRZLWANMKTF-CQSZACIVSA-N 0 0 425.539 3.525 50 0 IHAARN CCc1ccc(CNC(=O)Cn2nc(C)c3nn(-c4ccc(Cl)cc4)c(C)c3c2=O)cc1 ZINC000008831294 562965050 /nfs/dbraw/zinc/96/50/50/562965050.db2.gz LMTBTCPVQSCWNM-UHFFFAOYSA-N 0 0 449.942 3.731 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2cc(F)ccc2F)sc2nc(-c3ccc(C)cc3)nn12 ZINC000008860323 562965345 /nfs/dbraw/zinc/96/53/45/562965345.db2.gz VUVOTKUVTYMNPM-UHFFFAOYSA-N 0 0 448.520 3.874 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2cccc(NC(=O)C3=C(C)OCCS3)c2)c1 ZINC000009115215 562967090 /nfs/dbraw/zinc/96/70/90/562967090.db2.gz CSOAVDSGQKTUKV-UHFFFAOYSA-N 0 0 442.537 3.610 50 0 IHAARN O=C(COc1ccccc1C(=O)NCc1ccncc1)Nc1ccc(Br)cc1 ZINC000009492703 562972126 /nfs/dbraw/zinc/97/21/26/562972126.db2.gz QILYUENACALYCP-UHFFFAOYSA-N 0 0 440.297 3.792 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCc3ccccc3C2)c1 ZINC000009493670 562972256 /nfs/dbraw/zinc/97/22/56/562972256.db2.gz UIDQESYYYAIPLZ-UHFFFAOYSA-N 0 0 435.549 3.509 50 0 IHAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 ZINC000009506768 562972416 /nfs/dbraw/zinc/97/24/16/562972416.db2.gz AEKMCKSHNCSSOE-GKVSMKOHSA-N 0 0 437.540 3.538 50 0 IHAARN COc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009508399 562972593 /nfs/dbraw/zinc/97/25/93/562972593.db2.gz ULCKFISSEYKGFQ-UHFFFAOYSA-N 0 0 446.569 3.976 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000009670312 562975104 /nfs/dbraw/zinc/97/51/04/562975104.db2.gz RJEPNZBSSXMYJU-UHFFFAOYSA-N 0 0 443.503 3.588 50 0 IHAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C[C@@H]1CCCO1)NCc1ccccc1 ZINC000009750982 562976641 /nfs/dbraw/zinc/97/66/41/562976641.db2.gz RWPHRNCKOQWGTH-KRWDZBQOSA-N 0 0 449.532 3.730 50 0 IHAARN O=C(CSc1ccc(Br)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000013013929 562984213 /nfs/dbraw/zinc/98/42/13/562984213.db2.gz SBDSNEMKGRXYBB-INIZCTEOSA-N 0 0 441.416 3.792 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O ZINC000013129849 562984916 /nfs/dbraw/zinc/98/49/16/562984916.db2.gz LYOOCPLGHJKLEG-QFIPXVFZSA-N 0 0 431.895 3.685 50 0 IHAARN O=C(c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1)N1CCN(c2ccccn2)CC1 ZINC000015941587 563019489 /nfs/dbraw/zinc/01/94/89/563019489.db2.gz YWGATEQRWWCFMR-LJAQVGFWSA-N 0 0 429.929 3.598 50 0 IHAARN O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000016850285 563021031 /nfs/dbraw/zinc/02/10/31/563021031.db2.gz NBTUOWFCMRMTTC-UHFFFAOYSA-N 0 0 430.917 3.660 50 0 IHAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020419350 563024830 /nfs/dbraw/zinc/02/48/30/563024830.db2.gz RZBKZNYVDFDGCS-FQEVSTJZSA-N 0 0 436.474 3.860 50 0 IHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055182868 563142508 /nfs/dbraw/zinc/14/25/08/563142508.db2.gz KRBQNASIQIUOPN-LJQANCHMSA-N 0 0 448.489 3.998 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccco1 ZINC000019939392 568613331 /nfs/dbraw/zinc/61/33/31/568613331.db2.gz QHGANCFOFXAOAZ-OAQYLSRUSA-N 0 0 427.382 3.757 50 0 IHAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000019939409 568613337 /nfs/dbraw/zinc/61/33/37/568613337.db2.gz GCUGUQVPJFBZEN-JOCHJYFZSA-N 0 0 445.441 3.915 50 0 IHAARN CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983999 568622912 /nfs/dbraw/zinc/62/29/12/568622912.db2.gz QQMBJZVCOSXPLW-NHCUHLMSSA-N 0 0 436.474 3.885 50 0 IHAARN O=S(=O)(NCCc1ccccc1F)c1cc(Br)ccc1Br ZINC000018940635 568627367 /nfs/dbraw/zinc/62/73/67/568627367.db2.gz JALBZPSIJKQIHR-UHFFFAOYSA-N 0 0 437.128 3.872 50 0 IHAARN NC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc2c1CCCC2 ZINC000000934409 568638775 /nfs/dbraw/zinc/63/87/75/568638775.db2.gz BVXLQZZVCTZJHM-UHFFFAOYSA-N 0 0 447.310 3.847 50 0 IHAARN COCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(C)c2-c2ccc(OC)cc2)cc1 ZINC000025147336 568640978 /nfs/dbraw/zinc/64/09/78/568640978.db2.gz YMCWSRSCTODMOG-UHFFFAOYSA-N 0 0 447.495 3.591 50 0 IHAARN O=S(=O)(c1ccccc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025148595 568642062 /nfs/dbraw/zinc/64/20/62/568642062.db2.gz PFXQQJCLJXPDGW-UHFFFAOYSA-N 0 0 448.523 3.947 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)cc1O ZINC000086057414 568642738 /nfs/dbraw/zinc/64/27/38/568642738.db2.gz VXQNHJRQEJFQPO-ZDUSSCGKSA-N 0 0 443.912 3.904 50 0 IHAARN COc1ccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(F)cc2)cc1OC ZINC000086066170 568644371 /nfs/dbraw/zinc/64/43/71/568644371.db2.gz AWEOLVXIMHWNAW-UHFFFAOYSA-N 0 0 435.459 3.744 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC(=O)c2ccccc2)c(OCC)c1 ZINC000000956320 568645834 /nfs/dbraw/zinc/64/58/34/568645834.db2.gz MJUOBTOBGQJABU-FQEVSTJZSA-N 0 0 440.521 3.660 50 0 IHAARN C[C@H]1CCCN(C(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)C1 ZINC000000959959 568646510 /nfs/dbraw/zinc/64/65/10/568646510.db2.gz GLPGLHJYWGSTEW-INIZCTEOSA-N 0 0 437.927 3.990 50 0 IHAARN O=C1CCC(=O)N1c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000983365 568648824 /nfs/dbraw/zinc/64/88/24/568648824.db2.gz HNLHFJRQOZHWAL-HDLCADABSA-N 0 0 448.478 3.737 50 0 IHAARN O=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c2c1CS(=O)(=O)N2Cc1ccccc1 ZINC000000988184 568649104 /nfs/dbraw/zinc/64/91/04/568649104.db2.gz SAWIEZNQPBUQGC-UHFFFAOYSA-N 0 0 442.924 3.934 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3c(=O)o2)c(C(=O)OCC)c1C ZINC000000995158 568649298 /nfs/dbraw/zinc/64/92/98/568649298.db2.gz XSDBIXXUTBDJQT-UHFFFAOYSA-N 0 0 429.450 3.769 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000999407 568649539 /nfs/dbraw/zinc/64/95/39/568649539.db2.gz BUTVTMFODWBBTQ-WMLDXEAASA-N 0 0 436.438 3.759 50 0 IHAARN C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000001024537 568653118 /nfs/dbraw/zinc/65/31/18/568653118.db2.gz AEMXPQFJWHRWNV-YGRLFVJLSA-N 0 0 430.140 3.575 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001104411 568660527 /nfs/dbraw/zinc/66/05/27/568660527.db2.gz HDSLFEYMDDAGJW-JOCHJYFZSA-N 0 0 448.548 3.904 50 0 IHAARN O=C(NN1CCOCC1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2)n1 ZINC000034712105 568732681 /nfs/dbraw/zinc/73/26/81/568732681.db2.gz MIHRWJQLCANUJB-UHFFFAOYSA-N 0 0 431.464 3.644 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C ZINC000005979922 568739670 /nfs/dbraw/zinc/73/96/70/568739670.db2.gz NFEXPFGARMUUSZ-LJQCHSNASA-N 0 0 430.545 3.686 50 0 IHAARN Cc1cc(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 ZINC000005987256 568739925 /nfs/dbraw/zinc/73/99/25/568739925.db2.gz GAKDCYXPEPWIBK-LJQANCHMSA-N 0 0 440.590 3.851 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)co2)c(C)c1 ZINC000031602002 568741043 /nfs/dbraw/zinc/74/10/43/568741043.db2.gz QIPUJVGJCGYGEM-UHFFFAOYSA-N 0 0 425.554 3.606 50 0 IHAARN Cc1c(C(=O)OCC(C)C)sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 ZINC000001980632 568742329 /nfs/dbraw/zinc/74/23/29/568742329.db2.gz OAKQNJJJJLTJET-CYBMUJFWSA-N 0 0 431.489 3.918 50 0 IHAARN CCc1cc2c(cc1OCC(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)oc(=O)c1c2CCCC1 ZINC000002112255 568742807 /nfs/dbraw/zinc/74/28/07/568742807.db2.gz DMIBOEQGDVBRAP-WXTAPIANSA-N 0 0 439.552 3.767 50 0 biogenic IHAARN CCN(c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)C(C)C ZINC000003219543 568743116 /nfs/dbraw/zinc/74/31/16/568743116.db2.gz RUBKIBDHCFMJPO-UHFFFAOYSA-N 0 0 430.501 3.743 50 0 IHAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000003244360 568743558 /nfs/dbraw/zinc/74/35/58/568743558.db2.gz FAAWGLXKABMGLW-CQSZACIVSA-N 0 0 431.945 3.666 50 0 IHAARN O=C(COC(=O)c1cncc(Br)c1)NC(c1ccccc1)c1ccccc1 ZINC000003255609 568744047 /nfs/dbraw/zinc/74/40/47/568744047.db2.gz PWEBOMWKZGJPDW-UHFFFAOYSA-N 0 0 425.282 3.907 50 0 IHAARN CCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1C ZINC000043962590 568744607 /nfs/dbraw/zinc/74/46/07/568744607.db2.gz RBYAHRLGSAKWFN-UHFFFAOYSA-N 0 0 448.560 3.754 50 0 IHAARN O=C(NCc1ccco1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000003316400 568745803 /nfs/dbraw/zinc/74/58/03/568745803.db2.gz YSGZZFKRJWHMHW-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(OC)cc3)cs1)C2=O ZINC000003340727 568746518 /nfs/dbraw/zinc/74/65/18/568746518.db2.gz QKUIBTAOMGZUBG-UHFFFAOYSA-N 0 0 442.541 3.648 50 0 IHAARN COCCCn1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000003334837 568746554 /nfs/dbraw/zinc/74/65/54/568746554.db2.gz WWTAJPRSUPTQQF-UHFFFAOYSA-N 0 0 429.567 3.714 50 0 IHAARN CC(C)n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000003522521 568750374 /nfs/dbraw/zinc/75/03/74/568750374.db2.gz FYPFPEYZOLDBTN-AWEZNQCLSA-N 0 0 425.510 3.503 50 0 IHAARN COc1ccc([C@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000003614783 568751268 /nfs/dbraw/zinc/75/12/68/568751268.db2.gz JKTUFJJXCCZDHK-QFIPXVFZSA-N 0 0 438.505 3.567 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000003636552 568752131 /nfs/dbraw/zinc/75/21/31/568752131.db2.gz UXLXVMBCDQBBCY-DJJJIMSYSA-N 0 0 446.525 3.611 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccc(Br)cc3)o2)sc2nc(-c3ccco3)nn12 ZINC000003649376 568752781 /nfs/dbraw/zinc/75/27/81/568752781.db2.gz KDYJLCLPEJQRIB-YBEGLDIGSA-N 0 0 440.278 3.981 50 0 IHAARN CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000003765127 568754470 /nfs/dbraw/zinc/75/44/70/568754470.db2.gz ARHSAMZKKXPMIN-HSZRJFAPSA-N 0 0 429.520 3.805 50 0 IHAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)NCc4csc(C)n4)c3C3CC3)n2)c1 ZINC000299756130 568755224 /nfs/dbraw/zinc/75/52/24/568755224.db2.gz CRPIKWVCDJSTHL-UHFFFAOYSA-N 0 0 446.536 3.910 50 0 IHAARN O=C(C1=CCCCC1)N1CCC2(C[C@@H]2C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000299763600 568756233 /nfs/dbraw/zinc/75/62/33/568756233.db2.gz YJICHVDFUZNSHX-HSZRJFAPSA-N 0 0 439.575 3.599 50 0 IHAARN Cc1c(C(=O)N(C)Cc2ccon2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000299782914 568757332 /nfs/dbraw/zinc/75/73/32/568757332.db2.gz JOHFABZFVOSGLL-UHFFFAOYSA-N 0 0 437.481 3.601 50 0 IHAARN O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025639545 568758673 /nfs/dbraw/zinc/75/86/73/568758673.db2.gz YAGMMFZOYSIOCM-NRFANRHFSA-N 0 0 441.478 3.742 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000263587990 568760867 /nfs/dbraw/zinc/76/08/67/568760867.db2.gz NUIMPEQYTGDXAB-RMKNXTFCSA-N 0 0 433.552 3.524 50 0 IHAARN COc1cc(-c2nnc(NC(=O)c3ccc(Br)s3)o2)cc(OC)c1OC ZINC000015391374 568761546 /nfs/dbraw/zinc/76/15/46/568761546.db2.gz IMJPTHQOYBRKCR-UHFFFAOYSA-N 0 0 440.275 3.839 50 0 IHAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CCCC3 ZINC000001254492 568775248 /nfs/dbraw/zinc/77/52/48/568775248.db2.gz OBELPLGPXJZIHG-UHFFFAOYSA-N 0 0 440.550 3.547 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3CO2)cc1 ZINC000263617441 568777322 /nfs/dbraw/zinc/77/73/22/568777322.db2.gz NVAPHNGAEBLPJE-SFHVURJKSA-N 0 0 432.402 3.507 50 0 IHAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 ZINC000263619129 568777877 /nfs/dbraw/zinc/77/78/77/568777877.db2.gz XBDABZIWPBWXRF-OAQYLSRUSA-N 0 0 432.436 3.999 50 0 IHAARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000001291974 568778602 /nfs/dbraw/zinc/77/86/02/568778602.db2.gz VXUORRWNRPQTGF-QGZVFWFLSA-N 0 0 448.321 3.609 50 0 IHAARN COc1ccc(Br)cc1[C@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000001291975 568778612 /nfs/dbraw/zinc/77/86/12/568778612.db2.gz VXUORRWNRPQTGF-KRWDZBQOSA-N 0 0 448.321 3.609 50 0 IHAARN COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 ZINC000032103402 568780856 /nfs/dbraw/zinc/78/08/56/568780856.db2.gz UOALPARAMBKESE-INIZCTEOSA-N 0 0 448.548 3.573 50 0 IHAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1OC ZINC000004165324 568783038 /nfs/dbraw/zinc/78/30/38/568783038.db2.gz KLKTXGWGSOUQSZ-INIZCTEOSA-N 0 0 439.331 3.577 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383975 568784373 /nfs/dbraw/zinc/78/43/73/568784373.db2.gz BJYIMQPZJLUZFU-MQSUGXTHSA-N 0 0 438.483 3.526 50 0 IHAARN COc1cc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)ccn1 ZINC000083923765 568785998 /nfs/dbraw/zinc/78/59/98/568785998.db2.gz ANVDTOULWCMECX-UHFFFAOYSA-N 0 0 441.329 3.847 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000001401345 568786276 /nfs/dbraw/zinc/78/62/76/568786276.db2.gz FDFUDPAWFUAXDH-INIZCTEOSA-N 0 0 432.395 3.516 50 0 IHAARN COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cs2)cc1OC ZINC000032204229 568787046 /nfs/dbraw/zinc/78/70/46/568787046.db2.gz CYBQQCZPUMLLSO-SFHVURJKSA-N 0 0 441.553 3.869 50 0 IHAARN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[S@@](=O)Cc1csc(Br)c1 ZINC000083967124 568787318 /nfs/dbraw/zinc/78/73/18/568787318.db2.gz BVNLKEHEZQEKCT-NXHNLGHQSA-N 0 0 428.373 3.788 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCc4ccccc43)n2)ccc1C ZINC000016625051 568787387 /nfs/dbraw/zinc/78/73/87/568787387.db2.gz ULOKCHKJTMYIQR-KRWDZBQOSA-N 0 0 430.508 3.718 50 0 IHAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)c(=O)n(Cc1ccc(F)cc1)c2=O ZINC000000969981 568787730 /nfs/dbraw/zinc/78/77/30/568787730.db2.gz RVZQDATVRPGJJF-UHFFFAOYSA-N 0 0 438.430 3.555 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(Br)cc21 ZINC000001424301 568793568 /nfs/dbraw/zinc/79/35/68/568793568.db2.gz LQQVOLDVTTVISE-UHFFFAOYSA-N 0 0 441.322 3.908 50 0 IHAARN O=C(COc1ccc(I)cc1)Nc1ccn(Cc2ccccc2)n1 ZINC000001429813 568794404 /nfs/dbraw/zinc/79/44/04/568794404.db2.gz WXJRBMMTLPTIJD-UHFFFAOYSA-N 0 0 433.249 3.554 50 0 IHAARN O=C(CCNC(=O)N1CCO[C@@H](c2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000084525594 568798411 /nfs/dbraw/zinc/79/84/11/568798411.db2.gz DQMMXHPBBAJRGJ-GOSISDBHSA-N 0 0 432.318 3.561 50 0 IHAARN O=C(CCc1nc(-c2cccnc2)no1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000084535618 568798530 /nfs/dbraw/zinc/79/85/30/568798530.db2.gz RRJIDDLTZWCWDO-FQEVSTJZSA-N 0 0 434.521 3.888 50 0 IHAARN O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000084549764 568798839 /nfs/dbraw/zinc/79/88/39/568798839.db2.gz YVEWXAAOQMFALG-LJQANCHMSA-N 0 0 446.334 3.976 50 0 IHAARN CSCCCNC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC000084673595 568799759 /nfs/dbraw/zinc/79/97/59/568799759.db2.gz JHKACMXFQXHKHV-UHFFFAOYSA-N 0 0 425.620 3.610 50 0 IHAARN C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000084678317 568799879 /nfs/dbraw/zinc/79/98/79/568799879.db2.gz UGVTWHMTDWFFFF-ZBEGNZNMSA-N 0 0 449.364 3.935 50 0 IHAARN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1c2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC000084752664 568801098 /nfs/dbraw/zinc/80/10/98/568801098.db2.gz WPUYRKJZHUKYEA-PKTZIBPZSA-N 0 0 434.536 3.822 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000015670403 568802361 /nfs/dbraw/zinc/80/23/61/568802361.db2.gz OIYMKYZZWYUCKB-QGZVFWFLSA-N 0 0 432.871 3.866 50 0 IHAARN Cc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675269 568803823 /nfs/dbraw/zinc/80/38/23/568803823.db2.gz IVOVUYAOHTUZRE-QGZVFWFLSA-N 0 0 441.553 3.907 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@@H]1CCCO1 ZINC000015678090 568804620 /nfs/dbraw/zinc/80/46/20/568804620.db2.gz DBAFPVLXKPGLLO-DFBJGRDBSA-N 0 0 438.572 3.659 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000015681358 568806543 /nfs/dbraw/zinc/80/65/43/568806543.db2.gz RRXOHBPNHXQFKF-UHFFFAOYSA-N 0 0 425.536 3.929 50 0 IHAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCc1ccc(Cl)cc1)n2C ZINC000015681738 568806719 /nfs/dbraw/zinc/80/67/19/568806719.db2.gz QQISQDICYJTAFV-UHFFFAOYSA-N 0 0 425.916 3.940 50 0 IHAARN CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C ZINC000015705040 568807444 /nfs/dbraw/zinc/80/74/44/568807444.db2.gz UQVHAUSXEQAKRN-LJQANCHMSA-N 0 0 437.949 3.548 50 0 IHAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1cnc2ccccc2c1=O ZINC000032495830 568811377 /nfs/dbraw/zinc/81/13/77/568811377.db2.gz FWRXOOUBKIMKGC-UHFFFAOYSA-N 0 0 447.322 3.581 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000032498757 568811379 /nfs/dbraw/zinc/81/13/79/568811379.db2.gz FAKDVJYWIIEPTP-UHFFFAOYSA-N 0 0 438.549 3.754 50 0 IHAARN CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015731240 568814603 /nfs/dbraw/zinc/81/46/03/568814603.db2.gz IGLMAVLDLYBQSK-OAHLLOKOSA-N 0 0 448.566 3.515 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cccn3-c3nnc(N4CCCC4)s3)CC2)c1C ZINC000015731301 568814798 /nfs/dbraw/zinc/81/47/98/568814798.db2.gz ZIZBHBRIAAFSSP-UHFFFAOYSA-N 0 0 436.585 3.508 50 0 IHAARN C=C1C(N2CCC(C(=O)N[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015732962 568815491 /nfs/dbraw/zinc/81/54/91/568815491.db2.gz KPUJNMFVMHBTPA-MRXNPFEDSA-N 0 0 431.602 3.910 50 0 IHAARN CCOCCc1nn2c(nc(COC(=O)C(c3ccccc3)c3ccccc3)cc2=O)s1 ZINC000015734336 568816294 /nfs/dbraw/zinc/81/62/94/568816294.db2.gz KAJLXTCFFZUZMC-UHFFFAOYSA-N 0 0 449.532 3.605 50 0 IHAARN CN(C)C(=O)COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 ZINC000025995790 568819652 /nfs/dbraw/zinc/81/96/52/568819652.db2.gz NJYFDGFAJXNGMV-UHFFFAOYSA-N 0 0 447.470 3.521 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3cccc(NC(=O)CC(C)C)c3)cc2=O)s1 ZINC000015771915 568822682 /nfs/dbraw/zinc/82/26/82/568822682.db2.gz SWHVVYNCYWRUIY-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc(=O)n2o1 ZINC000015772286 568822821 /nfs/dbraw/zinc/82/28/21/568822821.db2.gz GJTNKQHZYPYSJA-UHFFFAOYSA-N 0 0 437.839 3.859 50 0 IHAARN C[C@@H](CNC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)c1ccccc1 ZINC000015776469 568823812 /nfs/dbraw/zinc/82/38/12/568823812.db2.gz OCVQNRYOXJKESB-KRWDZBQOSA-N 0 0 432.503 3.728 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(OC)c2)c2cccs2)cc1 ZINC000015780883 568825202 /nfs/dbraw/zinc/82/52/02/568825202.db2.gz GLGWBVMSQRAJJZ-FQEVSTJZSA-N 0 0 431.535 3.710 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)cc1 ZINC000015780831 568825228 /nfs/dbraw/zinc/82/52/28/568825228.db2.gz GNXUGVQTARTQOW-LJQANCHMSA-N 0 0 437.489 3.980 50 0 IHAARN COc1cc(OC)c([C@@H]2OC(CSc3nc4ccccc4[nH]3)=NN2C(C)=O)cc1OC ZINC000085587500 568825337 /nfs/dbraw/zinc/82/53/37/568825337.db2.gz HGGRTDGNFYKAOM-FQEVSTJZSA-N 0 0 442.497 3.572 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1C ZINC000015783835 568826538 /nfs/dbraw/zinc/82/65/38/568826538.db2.gz YOOWFUJKYRNYME-UHFFFAOYSA-N 0 0 432.596 3.966 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c(OC)c1 ZINC000015783825 568826586 /nfs/dbraw/zinc/82/65/86/568826586.db2.gz MCPZCKUISWBRGG-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)NCCc3ccccc3)N2C1=O ZINC000015783586 568827009 /nfs/dbraw/zinc/82/70/09/568827009.db2.gz VOSWZKJJKCHBGB-OXJNMPFZSA-N 0 0 434.565 3.782 50 0 IHAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)c1 ZINC000085642029 568829042 /nfs/dbraw/zinc/82/90/42/568829042.db2.gz UEHRSBDHENKYQK-UHFFFAOYSA-N 0 0 426.498 3.537 50 0 IHAARN COC(=O)c1ccc2c(c1)N(Cc1cc(=O)n3ccccc3n1)C(=O)c1ccccc1S2 ZINC000015784932 568829871 /nfs/dbraw/zinc/82/98/71/568829871.db2.gz RTDJYCIDJGCCQQ-UHFFFAOYSA-N 0 0 443.484 3.793 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1cccc(Cl)c1 ZINC000085648476 568830621 /nfs/dbraw/zinc/83/06/21/568830621.db2.gz GZOBRFXIPVSOSC-UHFFFAOYSA-N 0 0 449.964 3.534 50 0 IHAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)nc2c1 ZINC000085649996 568831276 /nfs/dbraw/zinc/83/12/76/568831276.db2.gz CXIHRPGSPHAYDN-UHFFFAOYSA-N 0 0 427.570 3.841 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)NC[C@@H](C)c1ccccc1)c2=O ZINC000015787033 568836277 /nfs/dbraw/zinc/83/62/77/568836277.db2.gz MSVLXBXQGIHHEQ-OAHLLOKOSA-N 0 0 449.942 3.772 50 0 IHAARN Cc1c(CCNS(=O)(=O)c2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000015823590 568840187 /nfs/dbraw/zinc/84/01/87/568840187.db2.gz HRCPOWXOFAXJQX-UHFFFAOYSA-N 0 0 434.493 3.565 50 0 IHAARN COc1ccc(CN2C(=O)N(CC(=O)c3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000015826921 568840733 /nfs/dbraw/zinc/84/07/33/568840733.db2.gz NTBWKJZDWPGSPR-UHFFFAOYSA-N 0 0 436.489 3.709 50 0 IHAARN CCc1cc(Br)cc(Br)c1-n1cc(C(=O)OC)c(C(=O)OC)n1 ZINC000004542370 568841828 /nfs/dbraw/zinc/84/18/28/568841828.db2.gz OYCGONNZIRSDAA-UHFFFAOYSA-N 0 0 446.095 3.533 50 0 IHAARN CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000043191190 568842933 /nfs/dbraw/zinc/84/29/33/568842933.db2.gz OGSVCVZBYHYNOJ-LIONHTAISA-N 0 0 449.510 3.930 50 0 IHAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1=O ZINC000015843052 568844650 /nfs/dbraw/zinc/84/46/50/568844650.db2.gz QWXGGBIXPWTEPU-JTQLQIEISA-N 0 0 446.834 3.924 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2C[C@H]3CSCN3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000015862171 568848461 /nfs/dbraw/zinc/84/84/61/568848461.db2.gz BCTXMWHCLXONCY-LZFQIVBZSA-N 0 0 425.579 3.614 50 0 biogenic IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)COc2cccc(C)c2)c1C ZINC000015865661 568850468 /nfs/dbraw/zinc/85/04/68/568850468.db2.gz IVEOHQRJMHINCY-HXUWFJFHSA-N 0 0 428.529 3.703 50 0 IHAARN COc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000015865592 568850538 /nfs/dbraw/zinc/85/05/38/568850538.db2.gz MBEXSAPUYYHMCI-JOCHJYFZSA-N 0 0 440.496 3.589 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1 ZINC000015882300 568856273 /nfs/dbraw/zinc/85/62/73/568856273.db2.gz RBBLZUTWLMTHPL-UHFFFAOYSA-N 0 0 437.569 3.602 50 0 IHAARN COC(=O)c1ccccc1N(C)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883300 568857413 /nfs/dbraw/zinc/85/74/13/568857413.db2.gz LQFSMUYWKXOUFB-UHFFFAOYSA-N 0 0 427.460 3.508 50 0 IHAARN COCCN(CC(=O)N1CC=C(c2ccccc2)CC1)Cc1nnc(-c2cccs2)o1 ZINC000012936175 568865057 /nfs/dbraw/zinc/86/50/57/568865057.db2.gz OSBFKNAMQDVWAQ-UHFFFAOYSA-N 0 0 438.553 3.562 50 0 IHAARN NC(=O)[C@H]1CCCCN1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047073 568868801 /nfs/dbraw/zinc/86/88/01/568868801.db2.gz OWILTCXTEWYWNM-WIYYLYMNSA-N 0 0 431.330 3.897 50 0 IHAARN Cc1cccc(OCCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012944797 568870552 /nfs/dbraw/zinc/87/05/52/568870552.db2.gz VFPVUJAWTMOUBQ-UHFFFAOYSA-N 0 0 444.597 3.598 50 0 IHAARN Cc1sc2[nH]c([C@@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946251 568871113 /nfs/dbraw/zinc/87/11/13/568871113.db2.gz HAMZKWOORWGIQF-YVEFUNNKSA-N 0 0 425.457 3.921 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)n(-c2cc(C)ccc2C)n1 ZINC000012946316 568871345 /nfs/dbraw/zinc/87/13/45/568871345.db2.gz XZWRWABORYTGEX-UHFFFAOYSA-N 0 0 439.947 3.960 50 0 IHAARN CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012946633 568871360 /nfs/dbraw/zinc/87/13/60/568871360.db2.gz ZRSRCSBJBUUKBW-UHFFFAOYSA-N 0 0 443.956 3.663 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000016134209 568871597 /nfs/dbraw/zinc/87/15/97/568871597.db2.gz YLEWYCOJRSPWIS-UHFFFAOYSA-N 0 0 426.376 3.698 50 0 IHAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCCN1C(=O)NC(C)(C)C1=O ZINC000012950448 568872202 /nfs/dbraw/zinc/87/22/02/568872202.db2.gz NLTNOKXWMRWFSN-UHFFFAOYSA-N 0 0 447.491 3.810 50 0 IHAARN Cc1cc(C)n([C@@H](CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2cccs2)n1 ZINC000575610185 568878761 /nfs/dbraw/zinc/87/87/61/568878761.db2.gz LQJCKIBGPSLYPO-FQEVSTJZSA-N 0 0 445.610 3.692 50 0 IHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000575612426 568879374 /nfs/dbraw/zinc/87/93/74/568879374.db2.gz AELGBLWPXFCOPF-UHFFFAOYSA-N 0 0 428.842 3.655 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C ZINC000575612800 568879657 /nfs/dbraw/zinc/87/96/57/568879657.db2.gz OBYSAMGLACPHTL-UHFFFAOYSA-N 0 0 446.916 3.995 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575614258 568879941 /nfs/dbraw/zinc/87/99/41/568879941.db2.gz XWMPODJMIPAXOP-AWEZNQCLSA-N 0 0 430.224 3.942 50 0 IHAARN COc1cccc(N2C[C@H](C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)CC2=O)c1 ZINC000575619373 568882919 /nfs/dbraw/zinc/88/29/19/568882919.db2.gz JXZBBGHQPHPBBY-QGZVFWFLSA-N 0 0 430.508 3.887 50 0 IHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc(Cl)c1OC ZINC000009670231 568884147 /nfs/dbraw/zinc/88/41/47/568884147.db2.gz UCGPQUDYGNXHSZ-CMDGGOBGSA-N 0 0 443.843 3.602 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000222099368 568884910 /nfs/dbraw/zinc/88/49/10/568884910.db2.gz GRDKKWFQNXNNII-UQIDSAAFSA-N 0 0 448.922 3.985 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(C)cc1 ZINC000089267815 568887578 /nfs/dbraw/zinc/88/75/78/568887578.db2.gz KBEIFLPDDHWUDP-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN COC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000090582558 568888283 /nfs/dbraw/zinc/88/82/83/568888283.db2.gz YVPKPFOYOTZNBH-UHFFFAOYSA-N 0 0 448.854 3.990 50 0 IHAARN Cc1c(CNC(=O)Cn2cnc3ccccc3c2=O)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593768 568889073 /nfs/dbraw/zinc/88/90/73/568889073.db2.gz BASBROWUFWPWBN-UHFFFAOYSA-N 0 0 447.495 3.537 50 0 IHAARN Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000090607924 568890706 /nfs/dbraw/zinc/89/07/06/568890706.db2.gz CEHJCHLDTOEVQO-UHFFFAOYSA-N 0 0 442.445 3.905 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(CSc3ccccn3)CC2)cc1 ZINC000090608058 568891008 /nfs/dbraw/zinc/89/10/08/568891008.db2.gz SYQVITRSCYBBMJ-UHFFFAOYSA-N 0 0 432.611 3.837 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)Nc1nccs1 ZINC000090610086 568891584 /nfs/dbraw/zinc/89/15/84/568891584.db2.gz RQLIJGGRAWDFBM-UHFFFAOYSA-N 0 0 434.593 3.950 50 0 IHAARN CCc1cc2c(cc1OCC(=O)N1CC[C@@]3(O)CCCC[C@H]3C1)oc(=O)c1c2CCCC1 ZINC000008918488 568892175 /nfs/dbraw/zinc/89/21/75/568892175.db2.gz DMIBOEQGDVBRAP-QYBDOPJKSA-N 0 0 439.552 3.767 50 0 biogenic IHAARN O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090617681 568892689 /nfs/dbraw/zinc/89/26/89/568892689.db2.gz WALKNRGOHLCOOW-UHFFFAOYSA-N 0 0 440.468 3.819 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2cnc3ccc(Br)cn3c2=O)c(C)c(C)c1C ZINC000064150389 568893519 /nfs/dbraw/zinc/89/35/19/568893519.db2.gz SEJGJQUHSOFESG-UHFFFAOYSA-N 0 0 443.297 3.730 50 0 IHAARN O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000012989193 568895300 /nfs/dbraw/zinc/89/53/00/568895300.db2.gz LDERGTFDHHFIOF-GYVBGXKYSA-N 0 0 430.618 3.935 50 0 IHAARN NC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C2CC2)cc1 ZINC000040080459 568896627 /nfs/dbraw/zinc/89/66/27/568896627.db2.gz BSZZKHNBVJGKJR-OVCLIPMQSA-N 0 0 427.504 3.964 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1F ZINC000013000591 568898787 /nfs/dbraw/zinc/89/87/87/568898787.db2.gz AQWFTUJZVODGDL-UHFFFAOYSA-N 0 0 449.482 3.826 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OCC(F)(F)F)cc1C ZINC000013005383 568899100 /nfs/dbraw/zinc/89/91/00/568899100.db2.gz XAGCIHAKZGWNNR-UHFFFAOYSA-N 0 0 430.448 3.504 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000013012485 568901218 /nfs/dbraw/zinc/90/12/18/568901218.db2.gz DXEYXOXOBKPPEB-LBPRGKRZSA-N 0 0 440.306 3.844 50 0 IHAARN CCOc1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1F ZINC000253405823 568902991 /nfs/dbraw/zinc/90/29/91/568902991.db2.gz TUVAFMLXYODXHR-SFHVURJKSA-N 0 0 427.544 3.562 50 0 IHAARN O=C(CCCCCNC(=O)c1cnccn1)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253412378 568903306 /nfs/dbraw/zinc/90/33/06/568903306.db2.gz QUTWPSFNULWWBA-QHCPKHFHSA-N 0 0 442.523 3.549 50 0 IHAARN CCCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784723 568907495 /nfs/dbraw/zinc/90/74/95/568907495.db2.gz VKCKBBOINRADNP-UHFFFAOYSA-N 0 0 427.526 3.979 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000239309398 568911093 /nfs/dbraw/zinc/91/10/93/568911093.db2.gz HOHBDUQEQNDIOL-MTJJIEKYSA-N 0 0 429.561 3.935 50 0 IHAARN CCc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000239302814 568911135 /nfs/dbraw/zinc/91/11/35/568911135.db2.gz FORVXNHYHDOKPJ-XAISMOLKSA-N 0 0 432.557 3.687 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3sccc3[C@H]1c1cccs1)C2=O ZINC000241776851 568912382 /nfs/dbraw/zinc/91/23/82/568912382.db2.gz RTDVZCSPTZOIPD-YFYZNPQRSA-N 0 0 443.594 3.784 50 0 IHAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000245254560 568913421 /nfs/dbraw/zinc/91/34/21/568913421.db2.gz AFBKHIUFLLKDFT-LYIMUSMJSA-N 0 0 431.536 3.834 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245312815 568914800 /nfs/dbraw/zinc/91/48/00/568914800.db2.gz XMPMGJJQSQPGEC-WTGUMLROSA-N 0 0 437.293 3.554 50 0 IHAARN C[C@@H]1[C@H](c2ccccc2)OCCN1C(=O)CCC(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C ZINC000252428666 568919676 /nfs/dbraw/zinc/91/96/76/568919676.db2.gz TVNQPXYDUXKBNI-DOOQXGAZSA-N 0 0 436.552 3.744 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001939368 568923493 /nfs/dbraw/zinc/92/34/93/568923493.db2.gz CEPCIWIWWPIJSD-UHFFFAOYSA-N 0 0 433.504 3.738 50 0 IHAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(I)cc2)cc1 ZINC000002660532 568923757 /nfs/dbraw/zinc/92/37/57/568923757.db2.gz XMPHZXNKLPIDLC-UHFFFAOYSA-N 0 0 426.279 3.980 50 0 IHAARN CNC(=O)c1ccc(CN(C(=O)CCC(=O)c2ccc(Br)cc2)C2CC2)cc1 ZINC000026899104 568924158 /nfs/dbraw/zinc/92/41/58/568924158.db2.gz IQCZBLICTNPMMF-UHFFFAOYSA-N 0 0 443.341 3.963 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(I)cc3)ccc12 ZINC000001183226 568924839 /nfs/dbraw/zinc/92/48/39/568924839.db2.gz KHIMZORYZJKIQV-UHFFFAOYSA-N 0 0 435.217 3.724 50 0 biogenic IHAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 ZINC000089442171 568925093 /nfs/dbraw/zinc/92/50/93/568925093.db2.gz NEJRNEUTQFFHGI-UHFFFAOYSA-N 0 0 446.569 3.840 50 0 IHAARN C[C@@H]1S[C@@]2(c3ccccc3NC2=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O ZINC000016608208 568925451 /nfs/dbraw/zinc/92/54/51/568925451.db2.gz GVQWJQUIHKMDJM-IVCQMTBJSA-N 0 0 443.528 3.890 50 0 IHAARN CC(C)N(C(=O)c1ccccc1I)c1ccccc1S(C)(=O)=O ZINC000079015517 568930922 /nfs/dbraw/zinc/93/09/22/568930922.db2.gz LBWCWHDRDXVSHS-UHFFFAOYSA-N 0 0 443.306 3.750 50 0 IHAARN COc1cccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccc(F)cc5)o4)nn3C)C2)c1 ZINC000064566551 568933493 /nfs/dbraw/zinc/93/34/93/568933493.db2.gz XKCPHKPXESAXSY-UHFFFAOYSA-N 0 0 448.458 3.875 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nnc(-c5ccccc5)o4)nn3C)C2)c(C)c1 ZINC000064566714 568933562 /nfs/dbraw/zinc/93/35/62/568933562.db2.gz QJZXJNHBKZCUOF-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c(Cl)c1 ZINC000064593453 568935832 /nfs/dbraw/zinc/93/58/32/568935832.db2.gz WWQNZXYWFQPCNC-UHFFFAOYSA-N 0 0 425.901 3.573 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccccc4Cl)nnc3c2=O)cc1C ZINC000064593553 568935892 /nfs/dbraw/zinc/93/58/92/568935892.db2.gz CQANQTZEBSVCCN-UHFFFAOYSA-N 0 0 439.928 3.881 50 0 IHAARN Cc1cccn2c(=O)nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc12 ZINC000016689574 568938756 /nfs/dbraw/zinc/93/87/56/568938756.db2.gz KCGWUVHSSJEOHU-UHFFFAOYSA-N 0 0 428.823 3.801 50 0 IHAARN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163837 568939604 /nfs/dbraw/zinc/93/96/04/568939604.db2.gz SCVHLNZCSIMTDW-CPUCHLNUSA-N 0 0 443.219 3.553 50 0 IHAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(c4ccccc4OC)CC2)nc3=O)cc1 ZINC000064611589 568941547 /nfs/dbraw/zinc/94/15/47/568941547.db2.gz LPTYKGOAHRAGBY-UHFFFAOYSA-N 0 0 448.548 3.995 50 0 IHAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)NCc1cc(F)cc(F)c1 ZINC000064759297 568951859 /nfs/dbraw/zinc/95/18/59/568951859.db2.gz LYCYKDGTBHJCGE-UHFFFAOYSA-N 0 0 425.414 3.932 50 0 IHAARN C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775969 568954880 /nfs/dbraw/zinc/95/48/80/568954880.db2.gz MSZIUGAXMMGJGB-GOSISDBHSA-N 0 0 428.536 3.931 50 0 IHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C(C)C)c1 ZINC000036117226 568955599 /nfs/dbraw/zinc/95/55/99/568955599.db2.gz STTPUCLKPPPTKO-OAQYLSRUSA-N 0 0 442.581 3.909 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c(Br)c1 ZINC000064787712 568956251 /nfs/dbraw/zinc/95/62/51/568956251.db2.gz OYCYIHMCRAOMKX-UHFFFAOYSA-N 0 0 434.315 3.617 50 0 IHAARN Cc1cccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000064788140 568956465 /nfs/dbraw/zinc/95/64/65/568956465.db2.gz NJLWWVSHLKEACC-HSZRJFAPSA-N 0 0 429.520 3.869 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036119789 568956770 /nfs/dbraw/zinc/95/67/70/568956770.db2.gz HORVBZRJXLAPFJ-NRFANRHFSA-N 0 0 444.597 3.692 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036120983 568957694 /nfs/dbraw/zinc/95/76/94/568957694.db2.gz PZWWUWNANVJUHK-FQEVSTJZSA-N 0 0 448.560 3.667 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C ZINC000036122049 568958141 /nfs/dbraw/zinc/95/81/41/568958141.db2.gz LOOKHPJEYITPDQ-HXUWFJFHSA-N 0 0 444.597 3.836 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123614 568958743 /nfs/dbraw/zinc/95/87/43/568958743.db2.gz FXMMJZJVFAABOM-HXUWFJFHSA-N 0 0 445.560 3.974 50 0 IHAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2ccc(F)cc2F)c1C ZINC000064792329 568959199 /nfs/dbraw/zinc/95/91/99/568959199.db2.gz CTZPGFIZGKEZKW-UHFFFAOYSA-N 0 0 437.450 3.736 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1)Nc1ccc(F)cc1 ZINC000064792455 568959244 /nfs/dbraw/zinc/95/92/44/568959244.db2.gz LZFBIXBPOVIBMF-JOCHJYFZSA-N 0 0 426.455 3.901 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NCc1ccco1 ZINC000064793009 568959527 /nfs/dbraw/zinc/95/95/27/568959527.db2.gz MGCGREJWZZDBMT-NRFANRHFSA-N 0 0 446.898 3.686 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccc(Cl)cc1)NCc1ccco1 ZINC000064793011 568959550 /nfs/dbraw/zinc/95/95/50/568959550.db2.gz MGCGREJWZZDBMT-OAQYLSRUSA-N 0 0 446.898 3.686 50 0 IHAARN COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146429 568962865 /nfs/dbraw/zinc/96/28/65/568962865.db2.gz CGQFKFQAFUSAAF-GMAHTHKFSA-N 0 0 430.520 3.615 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nc3cnn(C)c3c(=O)n2Cc2ccccc2)c1 ZINC000064817047 568964315 /nfs/dbraw/zinc/96/43/15/568964315.db2.gz RQJAFJCZTJIXIG-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818263 568966388 /nfs/dbraw/zinc/96/63/88/568966388.db2.gz ASKWZAJBJCGICM-GOSISDBHSA-N 0 0 434.471 3.635 50 0 IHAARN O=C([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000064820620 568967180 /nfs/dbraw/zinc/96/71/80/568967180.db2.gz HHOUWPOXKPKSOC-UHFFFAOYSA-N 0 0 437.540 3.576 50 0 IHAARN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1 ZINC000036159951 568967281 /nfs/dbraw/zinc/96/72/81/568967281.db2.gz ABZLOQXXCREWTB-QGZVFWFLSA-N 0 0 441.597 3.761 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000064835591 568968882 /nfs/dbraw/zinc/96/88/82/568968882.db2.gz PEYVVDVFJBRAMR-UHFFFAOYSA-N 0 0 429.517 3.604 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)cc1 ZINC000064835850 568968937 /nfs/dbraw/zinc/96/89/37/568968937.db2.gz FKWYQJBERJDLAE-UHFFFAOYSA-N 0 0 441.553 3.555 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)c(C)c1 ZINC000064841519 568970275 /nfs/dbraw/zinc/97/02/75/568970275.db2.gz SUHFWYBFRJSPDZ-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN Cc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3c(C)cc(C)cc3C)no2)c1 ZINC000064841781 568970483 /nfs/dbraw/zinc/97/04/83/568970483.db2.gz YVYWFTOMKVYUJC-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=O)c3noc(C)c32)cc1 ZINC000064842685 568970970 /nfs/dbraw/zinc/97/09/70/568970970.db2.gz YTKZSIGJLWDITP-UHFFFAOYSA-N 0 0 438.871 3.969 50 0 IHAARN COc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)cc1OC ZINC000064847293 568971216 /nfs/dbraw/zinc/97/12/16/568971216.db2.gz QLNBQNFUGWEXFE-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000064847296 568971239 /nfs/dbraw/zinc/97/12/39/568971239.db2.gz PMVJCIOAESOIGO-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000064848195 568971636 /nfs/dbraw/zinc/97/16/36/568971636.db2.gz ZIVYYEIDKFDMDB-UHFFFAOYSA-N 0 0 426.542 3.804 50 0 biogenic IHAARN COc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)c(OC)c1 ZINC000064847254 568972204 /nfs/dbraw/zinc/97/22/04/568972204.db2.gz RQEHRGISCSARLH-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)NCC(C)C)CC2)cc1 ZINC000036208593 568973413 /nfs/dbraw/zinc/97/34/13/568973413.db2.gz AJFLDADBIDDSEH-DEOSSOPVSA-N 0 0 449.595 3.726 50 0 IHAARN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862364 568974155 /nfs/dbraw/zinc/97/41/55/568974155.db2.gz VQNRHWOGRFPLBC-UHFFFAOYSA-N 0 0 427.570 3.878 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1cccs1 ZINC000064866942 568974799 /nfs/dbraw/zinc/97/47/99/568974799.db2.gz DEFXZYBDEQHBGA-UHFFFAOYSA-N 0 0 434.539 3.509 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210637 568975017 /nfs/dbraw/zinc/97/50/17/568975017.db2.gz DIUDZNFVNFGJSU-UWJYYQICSA-N 0 0 441.597 3.622 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064868453 568975478 /nfs/dbraw/zinc/97/54/78/568975478.db2.gz DKBFJPZNUJHWBW-UHFFFAOYSA-N 0 0 427.551 3.906 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)NCCCc2ccccc2)c2cc(C)c(C)cc2N1 ZINC000064869374 568975786 /nfs/dbraw/zinc/97/57/86/568975786.db2.gz XJNRXAIXSOUSKB-UHFFFAOYSA-N 0 0 449.551 3.648 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(OC)cc2OC)=Nc2ccccc2N1 ZINC000064869475 568976066 /nfs/dbraw/zinc/97/60/66/568976066.db2.gz FNVWYHLJVULDIL-UHFFFAOYSA-N 0 0 441.509 3.978 50 0 IHAARN CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccccc3Br)c3ccccc3n21 ZINC000064871667 568977798 /nfs/dbraw/zinc/97/77/98/568977798.db2.gz HVCWCXYSYNEZRX-UHFFFAOYSA-N 0 0 440.301 3.569 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036252941 568984321 /nfs/dbraw/zinc/98/43/21/568984321.db2.gz SLXCUIFBOHRWMZ-RUZDIDTESA-N 0 0 433.596 3.671 50 0 IHAARN O=C(NCc1ccccc1F)[C@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000036255427 568985052 /nfs/dbraw/zinc/98/50/52/568985052.db2.gz IAHYZQRFIQIJQA-NRFANRHFSA-N 0 0 429.561 3.520 50 0 IHAARN O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926027 568986930 /nfs/dbraw/zinc/98/69/30/568986930.db2.gz PFGLWZPZMYNRMO-UHFFFAOYSA-N 0 0 439.519 3.799 50 0 IHAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928385 568987664 /nfs/dbraw/zinc/98/76/64/568987664.db2.gz QVTGDGFSVMAGKG-SFHVURJKSA-N 0 0 426.536 3.817 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064930272 568988684 /nfs/dbraw/zinc/98/86/84/568988684.db2.gz HRXAAAFMXJROBL-MRXNPFEDSA-N 0 0 436.493 3.805 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000064940889 568989501 /nfs/dbraw/zinc/98/95/01/568989501.db2.gz WMLXKCYJWVDMFK-SFHVURJKSA-N 0 0 442.566 3.933 50 0 IHAARN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(OC)c3)C[C@@H]12 ZINC000169677412 568989660 /nfs/dbraw/zinc/98/96/60/568989660.db2.gz IBEZBKZPDWYFAN-FPOVZHCZSA-N 0 0 433.474 3.718 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1 ZINC000064941909 568991284 /nfs/dbraw/zinc/99/12/84/568991284.db2.gz KRNAAGHNTDLPJM-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c(CC)nnc12 ZINC000064949115 568994806 /nfs/dbraw/zinc/99/48/06/568994806.db2.gz MVWISDARUFJICH-UHFFFAOYSA-N 0 0 435.509 3.747 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000064947017 568995028 /nfs/dbraw/zinc/99/50/28/568995028.db2.gz QSLYERIYYRKYOC-UHFFFAOYSA-N 0 0 438.597 3.925 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1C ZINC000064950846 568996142 /nfs/dbraw/zinc/99/61/42/568996142.db2.gz AADZAJOLUBRYOL-UHFFFAOYSA-N 0 0 441.597 3.703 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000036310838 568996788 /nfs/dbraw/zinc/99/67/88/568996788.db2.gz MUZDPFYJIUNZND-JOCHJYFZSA-N 0 0 430.568 3.793 50 0 IHAARN COc1ccc(NC(=O)N2CCN([C@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036310828 568996792 /nfs/dbraw/zinc/99/67/92/568996792.db2.gz VPQNIKJBZQYQQC-QHCPKHFHSA-N 0 0 442.604 3.662 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000036310843 568996916 /nfs/dbraw/zinc/99/69/16/568996916.db2.gz JJQVTZKQCBPQBP-QFIPXVFZSA-N 0 0 430.568 3.793 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000036311463 568997182 /nfs/dbraw/zinc/99/71/82/568997182.db2.gz CKVUZBDTBCYYSD-RUZDIDTESA-N 0 0 435.568 3.716 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064977045 569077369 /nfs/dbraw/zinc/07/73/69/569077369.db2.gz UZRYTEHUVNSZFO-UHFFFAOYSA-N 0 0 445.928 3.626 50 0 IHAARN O=C(CNC(=O)c1ccco1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064979783 569078285 /nfs/dbraw/zinc/07/82/85/569078285.db2.gz MRNJWQYXGAEGHM-UHFFFAOYSA-N 0 0 433.489 3.922 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)c4ccc(Br)cc4)nn32)cc1 ZINC000064980484 569078544 /nfs/dbraw/zinc/07/85/44/569078544.db2.gz POBNCZRHSJJCGS-UHFFFAOYSA-N 0 0 430.287 3.876 50 0 IHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036342689 569079511 /nfs/dbraw/zinc/07/95/11/569079511.db2.gz OZENZVUDEVXEPS-DEOSSOPVSA-N 0 0 448.567 3.755 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3ccccc3F)C2)cc1 ZINC000036343021 569079663 /nfs/dbraw/zinc/07/96/63/569079663.db2.gz FYFXPQVSJWFIHY-HSZRJFAPSA-N 0 0 437.515 3.651 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985438 569081980 /nfs/dbraw/zinc/08/19/80/569081980.db2.gz FTJJEJKCNUOKEL-IIBYNOLFSA-N 0 0 430.570 3.855 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cnn4c3ncc3c4CC(C)(C)CC3=O)C[C@H]2C)c1 ZINC000064987424 569082490 /nfs/dbraw/zinc/08/24/90/569082490.db2.gz KYTXXNVIFCVLQQ-QGZVFWFLSA-N 0 0 431.540 3.544 50 0 IHAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3Cl)o2)cc1 ZINC000064988130 569082904 /nfs/dbraw/zinc/08/29/04/569082904.db2.gz YDHOHFICCWSCAE-OAHLLOKOSA-N 0 0 449.916 3.523 50 0 IHAARN COc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(OC)c1 ZINC000064988962 569082920 /nfs/dbraw/zinc/08/29/20/569082920.db2.gz MILIBPHAMJJXCY-UHFFFAOYSA-N 0 0 438.528 3.638 50 0 IHAARN O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1cc(F)ccc1F ZINC000064998785 569085531 /nfs/dbraw/zinc/08/55/31/569085531.db2.gz KBAYMAHGNPLRBO-UHFFFAOYSA-N 0 0 426.354 3.621 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O ZINC000064999196 569085663 /nfs/dbraw/zinc/08/56/63/569085663.db2.gz ACZVVMUECJUXLA-UHFFFAOYSA-N 0 0 449.488 3.559 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1nnn(Cc2ccccc2Cl)c1-n1cccc1 ZINC000064999339 569085774 /nfs/dbraw/zinc/08/57/74/569085774.db2.gz DHWHSMNKWCDQLS-UHFFFAOYSA-N 0 0 427.842 3.979 50 0 IHAARN Cc1c(S(=O)(=O)N2CCOCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000065008786 569087804 /nfs/dbraw/zinc/08/78/04/569087804.db2.gz AEESIAPNSRIBTL-UHFFFAOYSA-N 0 0 437.974 3.798 50 0 IHAARN Cc1ccc(-c2ccc(NC3CCCCCC3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009384 569087872 /nfs/dbraw/zinc/08/78/72/569087872.db2.gz BLQVUPLWMDQWKJ-UHFFFAOYSA-N 0 0 430.574 3.608 50 0 IHAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)n2C)n1 ZINC000065009001 569087883 /nfs/dbraw/zinc/08/78/83/569087883.db2.gz LYXGGRRCHTUPSY-UHFFFAOYSA-N 0 0 444.626 3.893 50 0 IHAARN COc1cccc(Nc2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)nn2)c1 ZINC000065009563 569088039 /nfs/dbraw/zinc/08/80/39/569088039.db2.gz SLANNCHWMDSKOT-UHFFFAOYSA-N 0 0 440.525 3.689 50 0 IHAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC[C@@H]3CCCO3)c2oc1C(=O)N1CCCCCC1 ZINC000065010965 569088432 /nfs/dbraw/zinc/08/84/32/569088432.db2.gz WGUKWXFGWDXHJD-SFHVURJKSA-N 0 0 448.585 3.832 50 0 IHAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 ZINC000065021085 569088656 /nfs/dbraw/zinc/08/86/56/569088656.db2.gz IGUVZQJOKMBEJM-UHFFFAOYSA-N 0 0 430.526 3.539 50 0 IHAARN CCc1ccccc1NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030716 569091332 /nfs/dbraw/zinc/09/13/32/569091332.db2.gz AXUWTUKIJNROGH-UHFFFAOYSA-N 0 0 437.569 3.711 50 0 IHAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1ccc(Cl)cc1)C3 ZINC000065034830 569091996 /nfs/dbraw/zinc/09/19/96/569091996.db2.gz BOPXMEKRQIANHE-UHFFFAOYSA-N 0 0 430.335 3.818 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1C ZINC000065034567 569092088 /nfs/dbraw/zinc/09/20/88/569092088.db2.gz UBSMQXFUBGJDLC-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1F ZINC000065034548 569092125 /nfs/dbraw/zinc/09/21/25/569092125.db2.gz GOPVCUOFVZNKGU-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN Cc1cccc2c1ncn(C1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)c2=O ZINC000065034717 569092330 /nfs/dbraw/zinc/09/23/30/569092330.db2.gz MRYKBCPWVBASEQ-UHFFFAOYSA-N 0 0 425.554 3.854 50 0 IHAARN O=C(Cc1ccccc1Br)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000169753214 569093153 /nfs/dbraw/zinc/09/31/53/569093153.db2.gz MBELJRODDZQHDR-UHFFFAOYSA-N 0 0 431.359 3.792 50 0 IHAARN COc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000169753775 569093677 /nfs/dbraw/zinc/09/36/77/569093677.db2.gz QSOCQFLJDXIVLD-GOSISDBHSA-N 0 0 440.931 3.685 50 0 IHAARN CCN(C(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O)c1cccc(C)c1 ZINC000169758017 569094286 /nfs/dbraw/zinc/09/42/86/569094286.db2.gz VVEPAMNQFMXHJE-OAQYLSRUSA-N 0 0 439.899 3.579 50 0 IHAARN O=C(NCc1ccccc1C(F)(F)F)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759875 569094676 /nfs/dbraw/zinc/09/46/76/569094676.db2.gz KJJXNSIWCFIXCB-HXUWFJFHSA-N 0 0 445.397 3.832 50 0 IHAARN COc1ccccc1CNC(=O)CCc1nc2onc(C)c2c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000065056696 569094893 /nfs/dbraw/zinc/09/48/93/569094893.db2.gz ZJZKHAHMCISUFM-IYBDPMFKSA-N 0 0 437.544 3.666 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)c1 ZINC000065059423 569096079 /nfs/dbraw/zinc/09/60/79/569096079.db2.gz NEZKPCVBXHQHQS-XMMPIXPASA-N 0 0 444.597 3.926 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nc3sc(C)c(C)c3c(N)n1)CC2 ZINC000036395239 569098729 /nfs/dbraw/zinc/09/87/29/569098729.db2.gz LDZTZEPJCCSWIY-UHFFFAOYSA-N 0 0 444.582 3.585 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000065074953 569099300 /nfs/dbraw/zinc/09/93/00/569099300.db2.gz QWAJAUUSBWGGHT-SANMLTNESA-N 0 0 430.504 3.982 50 0 IHAARN CC(C)c1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1 ZINC000065076697 569099922 /nfs/dbraw/zinc/09/99/22/569099922.db2.gz SHSKGCJEHZXCPQ-QGZVFWFLSA-N 0 0 430.508 3.597 50 0 IHAARN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000036396895 569100026 /nfs/dbraw/zinc/10/00/26/569100026.db2.gz HVNXHJNWKHCRSC-UHFFFAOYSA-N 0 0 437.931 3.740 50 0 IHAARN C[C@@H](CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077514 569100303 /nfs/dbraw/zinc/10/03/03/569100303.db2.gz RFUGJIBVAUMTIF-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077598 569100312 /nfs/dbraw/zinc/10/03/12/569100312.db2.gz YYWMMVFBNPTNDZ-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077133 569100408 /nfs/dbraw/zinc/10/04/08/569100408.db2.gz CAOXDYPOGIIVMP-UHFFFAOYSA-N 0 0 436.580 3.645 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Nc4ccccc4)sc3C2)cc1 ZINC000065083448 569102298 /nfs/dbraw/zinc/10/22/98/569102298.db2.gz PPPPSUBDCAQUCL-UHFFFAOYSA-N 0 0 428.539 3.843 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169777999 569102535 /nfs/dbraw/zinc/10/25/35/569102535.db2.gz JKVKUOFIBCWXSZ-SFHVURJKSA-N 0 0 434.887 3.665 50 0 IHAARN O=C(c1nccc2ccccc21)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778026 569102558 /nfs/dbraw/zinc/10/25/58/569102558.db2.gz UKRNRDNLWGEQPU-GOSISDBHSA-N 0 0 437.463 3.631 50 0 IHAARN COc1ccc(-c2ccc3nnc(CNC(=O)[C@@H](C)Oc4ccc(Cl)cc4)n3n2)cc1 ZINC000169778558 569102795 /nfs/dbraw/zinc/10/27/95/569102795.db2.gz QFXGOYVLNZSJRN-CQSZACIVSA-N 0 0 437.887 3.537 50 0 IHAARN COc1cc(C(=O)NCCn2cccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000169780174 569102982 /nfs/dbraw/zinc/10/29/82/569102982.db2.gz HSWRKMHUXLRMPP-UHFFFAOYSA-N 0 0 448.479 3.661 50 0 IHAARN Cc1ccccc1CNC(=O)[C@@H](C)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000006901534 569105735 /nfs/dbraw/zinc/10/57/35/569105735.db2.gz XLUDBKFGVRKUJV-GOSISDBHSA-N 0 0 425.554 3.612 50 0 IHAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000065116531 569107388 /nfs/dbraw/zinc/10/73/88/569107388.db2.gz YERBJDHUUKBFTQ-UHFFFAOYSA-N 0 0 446.554 3.760 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1OC ZINC000065111905 569107776 /nfs/dbraw/zinc/10/77/76/569107776.db2.gz ODLMXBONPNNPMA-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4F)c3=O)n2)c1 ZINC000065112818 569108264 /nfs/dbraw/zinc/10/82/64/569108264.db2.gz LUVIUEPMLLVAOI-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN O=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)Nc1ccc2c(c1)OCO2 ZINC000065113423 569108396 /nfs/dbraw/zinc/10/83/96/569108396.db2.gz NNCMAAGRYYYEFB-UHFFFAOYSA-N 0 0 428.448 3.567 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3C)c2c1=O ZINC000065113591 569108467 /nfs/dbraw/zinc/10/84/67/569108467.db2.gz BCAYVUYAADXFOJ-UHFFFAOYSA-N 0 0 434.471 3.598 50 0 IHAARN CCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3Br)c2)n1 ZINC000065134562 569109407 /nfs/dbraw/zinc/10/94/07/569109407.db2.gz VUOFHIFJTIBKHD-UHFFFAOYSA-N 0 0 431.290 3.560 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cccc(CC)c3)nn2)C1 ZINC000065132091 569109693 /nfs/dbraw/zinc/10/96/93/569109693.db2.gz RUJBJQCRDRVTQM-SFHVURJKSA-N 0 0 441.601 3.512 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)C1 ZINC000065132046 569109733 /nfs/dbraw/zinc/10/97/33/569109733.db2.gz BMBVUMUPUVNRAG-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN CN(C)c1nn(CC(=O)NCc2cccc(Br)c2)cc1-c1ccc(F)cc1 ZINC000065132292 569109849 /nfs/dbraw/zinc/10/98/49/569109849.db2.gz WGOQMTYAKXCGSU-UHFFFAOYSA-N 0 0 431.309 3.834 50 0 IHAARN Cc1ccc(NC(=O)c2ccc3oc(=O)n(CC(=O)N(C)Cc4ccccc4)c3c2)cc1 ZINC000065138037 569110482 /nfs/dbraw/zinc/11/04/82/569110482.db2.gz TZZCBNGQMALRHJ-UHFFFAOYSA-N 0 0 429.476 3.814 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3c(Sc4cccc(C)c4)nccn3c2=O)c1 ZINC000065150931 569111604 /nfs/dbraw/zinc/11/16/04/569111604.db2.gz UFZNKUQTTWCTCQ-UHFFFAOYSA-N 0 0 437.550 3.711 50 0 IHAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)c1 ZINC000065150943 569111617 /nfs/dbraw/zinc/11/16/17/569111617.db2.gz OFXIEAHIQMXGSE-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 ZINC000065154307 569112187 /nfs/dbraw/zinc/11/21/87/569112187.db2.gz ISGXSMWQPPSEKA-UHFFFAOYSA-N 0 0 430.464 3.885 50 0 IHAARN C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O)c1ccccc1 ZINC000065183480 569113934 /nfs/dbraw/zinc/11/39/34/569113934.db2.gz KUQMABRBJOYVEW-CQSZACIVSA-N 0 0 440.912 3.851 50 0 IHAARN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O)c1ccccc1 ZINC000065183479 569113975 /nfs/dbraw/zinc/11/39/75/569113975.db2.gz KUQMABRBJOYVEW-AWEZNQCLSA-N 0 0 440.912 3.851 50 0 IHAARN COc1ccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1F ZINC000065185215 569114172 /nfs/dbraw/zinc/11/41/72/569114172.db2.gz WLODIZVOUQFACE-UHFFFAOYSA-N 0 0 448.426 3.551 50 0 IHAARN COc1ccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000065185299 569114241 /nfs/dbraw/zinc/11/42/41/569114241.db2.gz RBLNLVUNDRFGPN-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN COc1cc(-c2noc(Cc3nnc(-c4cc(F)cc(F)c4)o3)n2)cc(OC)c1OC ZINC000065185571 569114426 /nfs/dbraw/zinc/11/44/26/569114426.db2.gz FQGCAILDOVDXQP-UHFFFAOYSA-N 0 0 430.367 3.681 50 0 IHAARN O=C(c1cccc(Br)c1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200168 569115202 /nfs/dbraw/zinc/11/52/02/569115202.db2.gz MYZKUIQTUYDUEB-UHFFFAOYSA-N 0 0 449.418 3.854 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c1 ZINC000065195604 569115590 /nfs/dbraw/zinc/11/55/90/569115590.db2.gz ZVHRSXKIQYBEBJ-HXUWFJFHSA-N 0 0 445.519 3.570 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)CC1 ZINC000065196996 569115921 /nfs/dbraw/zinc/11/59/21/569115921.db2.gz ISCGYXBCISFFFY-UHFFFAOYSA-N 0 0 446.555 3.523 50 0 IHAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccc(F)cc4)cs3)CC2)c1 ZINC000065211583 569116657 /nfs/dbraw/zinc/11/66/57/569116657.db2.gz ZPRAVBPDJNQKFF-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(OC)cc3)C2)no1 ZINC000065227787 569117476 /nfs/dbraw/zinc/11/74/76/569117476.db2.gz DZKLWLAVGSBTFT-WMZOPIPTSA-N 0 0 435.528 3.796 50 0 IHAARN CSc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCCCC3)CC2)cc1 ZINC000065226582 569118015 /nfs/dbraw/zinc/11/80/15/569118015.db2.gz LVZHBIYSIPGUDZ-UHFFFAOYSA-N 0 0 425.602 3.722 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 ZINC000036569630 569118365 /nfs/dbraw/zinc/11/83/65/569118365.db2.gz PCJJBHSNLVWRKG-TZIWHRDSSA-N 0 0 438.915 3.505 50 0 IHAARN COc1cccc(CNC(=O)Cn2c(C)ncc(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000065232516 569119127 /nfs/dbraw/zinc/11/91/27/569119127.db2.gz QNLXYMQGNMNTGR-UHFFFAOYSA-N 0 0 446.532 3.667 50 0 IHAARN Cc1ccc(-n2cc(-c3noc(C(=O)Nc4cccc(Br)c4)n3)nn2)cc1 ZINC000065236674 569119624 /nfs/dbraw/zinc/11/96/24/569119624.db2.gz CVLLFSWVQYMAMV-UHFFFAOYSA-N 0 0 425.246 3.641 50 0 IHAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000036589861 569121135 /nfs/dbraw/zinc/12/11/35/569121135.db2.gz ZUCJBLACTHVRBP-NVXWUHKLSA-N 0 0 425.316 3.571 50 0 IHAARN Cc1c(C(=O)NCc2ccccc2F)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 ZINC000065251534 569122442 /nfs/dbraw/zinc/12/24/42/569122442.db2.gz HVMWIFFWNFYCGG-UHFFFAOYSA-N 0 0 434.475 3.992 50 0 IHAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)Nc4nn(C)cc4Cl)c32)c1C ZINC000036619376 569124715 /nfs/dbraw/zinc/12/47/15/569124715.db2.gz KCWONVRALKKBMA-UHFFFAOYSA-N 0 0 425.880 3.931 50 0 IHAARN CCn1cc2c(n1)n(CCC(=O)Nc1ncc(Cl)cc1Cl)c(=O)cc2C(F)(F)F ZINC000036621412 569126211 /nfs/dbraw/zinc/12/62/11/569126211.db2.gz KVYCJJORBGIJEV-UHFFFAOYSA-N 0 0 448.232 3.967 50 0 IHAARN C=C1C(N2CCCN(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271931 569128852 /nfs/dbraw/zinc/12/88/52/569128852.db2.gz ZSPMNQIEXHVYNT-UHFFFAOYSA-N 0 0 446.617 3.540 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)C3=O)nc2)cc1OC ZINC000065272385 569128997 /nfs/dbraw/zinc/12/89/97/569128997.db2.gz YKKBQNSKSWZZCB-UHFFFAOYSA-N 0 0 432.480 3.793 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC3)CC1 ZINC000065273237 569129404 /nfs/dbraw/zinc/12/94/04/569129404.db2.gz OLJOHAJHIALRRT-HNNXBMFYSA-N 0 0 432.977 3.517 50 0 IHAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000065273615 569129882 /nfs/dbraw/zinc/12/98/82/569129882.db2.gz OECLUAIUDSSCPU-HNNXBMFYSA-N 0 0 447.004 3.845 50 0 IHAARN COc1ccc(NC(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)cc1OC ZINC000065283351 569130164 /nfs/dbraw/zinc/13/01/64/569130164.db2.gz GZSBXLGOLDGGSX-UHFFFAOYSA-N 0 0 430.555 3.822 50 0 IHAARN COc1cccc(CNC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)c1 ZINC000065293994 569131175 /nfs/dbraw/zinc/13/11/75/569131175.db2.gz KQDCIRBLMFZZGJ-UHFFFAOYSA-N 0 0 435.553 3.860 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)Nc1ccccc1F ZINC000065318927 569134495 /nfs/dbraw/zinc/13/44/95/569134495.db2.gz LUHSSXLXBIUZFZ-UHFFFAOYSA-N 0 0 444.488 3.611 50 0 IHAARN CCc1cccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C)c1 ZINC000065319484 569134876 /nfs/dbraw/zinc/13/48/76/569134876.db2.gz KTRMYPWYJXGCMP-UHFFFAOYSA-N 0 0 443.598 3.674 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700432 569135393 /nfs/dbraw/zinc/13/53/93/569135393.db2.gz PRSSDVMDZCQNMZ-HSZRJFAPSA-N 0 0 432.586 3.526 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cnn1-c1ccccc1 ZINC000036700512 569135408 /nfs/dbraw/zinc/13/54/08/569135408.db2.gz DSQREGBSRHEWIK-UHFFFAOYSA-N 0 0 430.537 3.662 50 0 IHAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC ZINC000036701694 569135650 /nfs/dbraw/zinc/13/56/50/569135650.db2.gz QXSDTSZGRXHZRE-QTJFZDIUSA-N 0 0 441.919 3.997 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccccc1C ZINC000065319870 569136017 /nfs/dbraw/zinc/13/60/17/569136017.db2.gz DUKSHDHJRZQPHJ-UHFFFAOYSA-N 0 0 429.571 3.512 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000065319838 569136023 /nfs/dbraw/zinc/13/60/23/569136023.db2.gz NLNHZTIHSOVHDG-UHFFFAOYSA-N 0 0 443.598 3.821 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2c3ccccc3nc2-c2cnccn2)CC1 ZINC000036708678 569136150 /nfs/dbraw/zinc/13/61/50/569136150.db2.gz XTZXMNUKCPGWTG-UHFFFAOYSA-N 0 0 446.942 3.804 50 0 IHAARN Cn1nccc1C(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn21 ZINC000065321027 569136388 /nfs/dbraw/zinc/13/63/88/569136388.db2.gz SQJJKPDCXZTPEN-UHFFFAOYSA-N 0 0 425.493 3.573 50 0 IHAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000065322392 569136601 /nfs/dbraw/zinc/13/66/01/569136601.db2.gz RTSDSACOIOQIQD-UHFFFAOYSA-N 0 0 438.528 3.548 50 0 IHAARN CCCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000065322463 569136815 /nfs/dbraw/zinc/13/68/15/569136815.db2.gz RRPQZZMSQGRBHW-UHFFFAOYSA-N 0 0 436.556 3.995 50 0 IHAARN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC000036717044 569136887 /nfs/dbraw/zinc/13/68/87/569136887.db2.gz MNLCMCQKTYATFE-UHFFFAOYSA-N 0 0 447.532 3.990 50 0 IHAARN COC(=O)[C@H](NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000238832310 569137324 /nfs/dbraw/zinc/13/73/24/569137324.db2.gz GEZUZGOTERCFOA-QGZVFWFLSA-N 0 0 439.295 3.590 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 ZINC000036709953 569137361 /nfs/dbraw/zinc/13/73/61/569137361.db2.gz VWXGZGDQNCNWAY-UHFFFAOYSA-N 0 0 434.974 3.675 50 0 IHAARN Cc1nn(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C)c1-c1ccccc1 ZINC000238865478 569137775 /nfs/dbraw/zinc/13/77/75/569137775.db2.gz LRCNBNPWKONDEY-UHFFFAOYSA-N 0 0 439.581 3.708 50 0 IHAARN C[C@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1 ZINC000065521219 569138999 /nfs/dbraw/zinc/13/89/99/569138999.db2.gz CTWREMKSRJLTMU-SFHVURJKSA-N 0 0 431.492 3.946 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c2nc(CC(C)C)nn2c1=O ZINC000065535096 569139523 /nfs/dbraw/zinc/13/95/23/569139523.db2.gz IGBFMFJDFTYJOJ-UHFFFAOYSA-N 0 0 439.903 3.543 50 0 IHAARN Cc1nc(S(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)n(C2CCCCC2)c1C ZINC000065575352 569139728 /nfs/dbraw/zinc/13/97/28/569139728.db2.gz WTTDBCFQJHHORB-OAQYLSRUSA-N 0 0 429.586 3.973 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)c1 ZINC000065568129 569139807 /nfs/dbraw/zinc/13/98/07/569139807.db2.gz CDNUQKIQUPUTQS-UHFFFAOYSA-N 0 0 425.510 3.546 50 0 IHAARN CC(C)Cn1nc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c2ccccc2c1=O ZINC000170593915 569141299 /nfs/dbraw/zinc/14/12/99/569141299.db2.gz DLNZYJCDWBKKDW-HNNXBMFYSA-N 0 0 447.461 3.745 50 0 IHAARN CCN(CCCOC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)CC(F)(F)F ZINC000170597480 569142130 /nfs/dbraw/zinc/14/21/30/569142130.db2.gz HOACAZYPLLGYDL-UHFFFAOYSA-N 0 0 447.457 3.876 50 0 IHAARN CN(Cc1cccs1)C(=O)CN1C(=O)N[C@H](c2ccccc2OCc2ccccc2)C1=O ZINC000170598292 569142227 /nfs/dbraw/zinc/14/22/27/569142227.db2.gz MAKCGAZCKABRPI-JOCHJYFZSA-N 0 0 449.532 3.579 50 0 IHAARN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[S@@](=O)Cc1csc(Br)c1 ZINC000170602950 569143448 /nfs/dbraw/zinc/14/34/48/569143448.db2.gz BVNLKEHEZQEKCT-CUXVXRRMSA-N 0 0 428.373 3.788 50 0 IHAARN CC(C)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000170609192 569144609 /nfs/dbraw/zinc/14/46/09/569144609.db2.gz QJCJGFCMCWRFBI-HXUWFJFHSA-N 0 0 426.542 3.560 50 0 IHAARN CCOc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)c1 ZINC000170619455 569147622 /nfs/dbraw/zinc/14/76/22/569147622.db2.gz QBSISUPIMBPJRN-NRFANRHFSA-N 0 0 429.542 3.791 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)nc2-n2nc(C)cc2C)cc1 ZINC000009761578 569149110 /nfs/dbraw/zinc/14/91/10/569149110.db2.gz MEKHBNAMTFGAJJ-UHFFFAOYSA-N 0 0 441.491 3.554 50 0 IHAARN O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009883085 569149906 /nfs/dbraw/zinc/14/99/06/569149906.db2.gz RMRIPDMUTNCBMG-UHFFFAOYSA-N 0 0 446.532 3.655 50 0 IHAARN COc1ccc2c(CC(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)coc2c1 ZINC000009910376 569150448 /nfs/dbraw/zinc/15/04/48/569150448.db2.gz JFXKXGNAERQAEF-UHFFFAOYSA-N 0 0 434.448 3.841 50 0 IHAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000009954749 569151189 /nfs/dbraw/zinc/15/11/89/569151189.db2.gz XYSLQYPIGOUQPY-LJQANCHMSA-N 0 0 437.477 3.684 50 0 IHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C ZINC000009956360 569151263 /nfs/dbraw/zinc/15/12/63/569151263.db2.gz FMCNMUYZWPNFFI-OAQYLSRUSA-N 0 0 433.574 3.579 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 ZINC000010220803 569153044 /nfs/dbraw/zinc/15/30/44/569153044.db2.gz VFGLFDJQJKKAGP-UHFFFAOYSA-N 0 0 426.270 3.514 50 0 IHAARN Cc1cc(O)c(C(c2ccc(Cl)c(Cl)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C ZINC000010217707 569153407 /nfs/dbraw/zinc/15/34/07/569153407.db2.gz GJULHEOIOZJKBG-UHFFFAOYSA-N 0 0 435.307 3.599 50 0 IHAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000010255003 569153930 /nfs/dbraw/zinc/15/39/30/569153930.db2.gz PGGIWLPUUOPSLD-UHFFFAOYSA-N 0 0 438.553 3.812 50 0 IHAARN COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2ccccc2)cc1=O ZINC000010255049 569153990 /nfs/dbraw/zinc/15/39/90/569153990.db2.gz YHSTWLMDZRFGPP-UHFFFAOYSA-N 0 0 437.521 3.746 50 0 IHAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(N2CCOCC2)nc1 ZINC000071793389 569154315 /nfs/dbraw/zinc/15/43/15/569154315.db2.gz HNAIGIHTWSXGHP-UHFFFAOYSA-N 0 0 441.535 3.506 50 0 IHAARN Cc1cnc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000013684816 569156598 /nfs/dbraw/zinc/15/65/98/569156598.db2.gz ZRIPNNJMPJMASP-UHFFFAOYSA-N 0 0 427.979 3.828 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)Nc1ccccc1F ZINC000013706645 569156825 /nfs/dbraw/zinc/15/68/25/569156825.db2.gz DAPMJILOXVAUBW-UHFFFAOYSA-N 0 0 426.839 3.784 50 0 IHAARN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014072718 569157703 /nfs/dbraw/zinc/15/77/03/569157703.db2.gz KSBZDJHCJUYZFK-QGZVFWFLSA-N 0 0 441.578 3.856 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)OCc1ccccc1 ZINC000014200639 569158097 /nfs/dbraw/zinc/15/80/97/569158097.db2.gz SVPPXCOEGJJZHU-OAQYLSRUSA-N 0 0 432.476 3.569 50 0 IHAARN O=C(c1cccc2ncccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014275678 569158549 /nfs/dbraw/zinc/15/85/49/569158549.db2.gz LOFACRSAGABRSG-UHFFFAOYSA-N 0 0 431.517 3.535 50 0 IHAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c(=O)oc2c1 ZINC000016708140 569159943 /nfs/dbraw/zinc/15/99/43/569159943.db2.gz FTOPERGWXPFVOH-UHFFFAOYSA-N 0 0 435.448 3.977 50 0 IHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000089621252 569159953 /nfs/dbraw/zinc/15/99/53/569159953.db2.gz UKKOGDRAYJJVDK-RYQLBKOJSA-N 0 0 426.479 3.624 50 0 IHAARN Cc1ccc(NC(=O)c2c(Cl)nc3sccn32)cc1S(=O)(=O)N1CCCCC1 ZINC000089651196 569160529 /nfs/dbraw/zinc/16/05/29/569160529.db2.gz DJEIPWJQRVJUGF-UHFFFAOYSA-N 0 0 438.962 3.785 50 0 IHAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O ZINC000014670107 569161284 /nfs/dbraw/zinc/16/12/84/569161284.db2.gz WVIPDSXCFPIINL-UHFFFAOYSA-N 0 0 434.540 3.889 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1 ZINC000089690595 569161350 /nfs/dbraw/zinc/16/13/50/569161350.db2.gz XWTFIURRHFLEBM-QFIPXVFZSA-N 0 0 430.570 3.857 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000089774431 569162655 /nfs/dbraw/zinc/16/26/55/569162655.db2.gz JPKZEWMQFWYVJZ-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016838128 569162765 /nfs/dbraw/zinc/16/27/65/569162765.db2.gz JCPWYGVPIXEWBA-FQEVSTJZSA-N 0 0 429.542 3.525 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1Cl ZINC000089782774 569162946 /nfs/dbraw/zinc/16/29/46/569162946.db2.gz WMNSXNNZPXWOON-KRWDZBQOSA-N 0 0 436.737 3.977 50 0 IHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O ZINC000016840188 569163137 /nfs/dbraw/zinc/16/31/37/569163137.db2.gz IQGCDIODEFLTEI-UHFFFAOYSA-N 0 0 427.932 3.560 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000016841578 569163375 /nfs/dbraw/zinc/16/33/75/569163375.db2.gz BBQDJDBSNURATA-UHFFFAOYSA-N 0 0 433.537 3.781 50 0 IHAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000016843831 569163662 /nfs/dbraw/zinc/16/36/62/569163662.db2.gz QXYOBUIGIUCUBC-UHFFFAOYSA-N 0 0 425.441 3.680 50 0 IHAARN COc1ccc(CCNC(=O)CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000089920279 569167769 /nfs/dbraw/zinc/16/77/69/569167769.db2.gz PNLVMZQNBSNBDQ-YLJYHZDGSA-N 0 0 444.572 3.631 50 0 IHAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1csc(CC(=O)NC)n1 ZINC000089969377 569169440 /nfs/dbraw/zinc/16/94/40/569169440.db2.gz WXJMLTBMMQFECL-SFHVURJKSA-N 0 0 444.384 3.865 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1OC ZINC000016992224 569169522 /nfs/dbraw/zinc/16/95/22/569169522.db2.gz WYIXUWQHSHLDEN-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000016991313 569169583 /nfs/dbraw/zinc/16/95/83/569169583.db2.gz ARHWQJMKBDQQEQ-NRFANRHFSA-N 0 0 429.948 3.557 50 0 IHAARN CCOc1cc(CNc2cccc(NC(=O)C3CC3)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000089990973 569170083 /nfs/dbraw/zinc/17/00/83/569170083.db2.gz UUXNUIOLGKPYID-MRXNPFEDSA-N 0 0 425.529 3.901 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983704 569170150 /nfs/dbraw/zinc/17/01/50/569170150.db2.gz DFTFGOAAGBIPMF-GOSISDBHSA-N 0 0 440.334 3.596 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)NCCc1csc2nc(-c3ccc(C)cc3)nn12 ZINC000017051941 569171888 /nfs/dbraw/zinc/17/18/88/569171888.db2.gz OIYHXJZOYNRKCY-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(C)c1C)[nH]c2=O ZINC000017135631 569174382 /nfs/dbraw/zinc/17/43/82/569174382.db2.gz CKROJNRKAWNJNM-UHFFFAOYSA-N 0 0 435.509 3.877 50 0 IHAARN O=C(Nc1nc2c(cccc2F)s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000017149801 569174835 /nfs/dbraw/zinc/17/48/35/569174835.db2.gz ULCKSTWSJMOICQ-GFCCVEGCSA-N 0 0 425.532 3.679 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000017155177 569175011 /nfs/dbraw/zinc/17/50/11/569175011.db2.gz LTPZJQKGTCKBDD-UHFFFAOYSA-N 0 0 430.892 3.988 50 0 IHAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000017169801 569175369 /nfs/dbraw/zinc/17/53/69/569175369.db2.gz LWCXCUDFXWNUIJ-IBGZPJMESA-N 0 0 433.869 3.607 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)N1CCc2ccccc21 ZINC000017179010 569175644 /nfs/dbraw/zinc/17/56/44/569175644.db2.gz OMCWYBQBPJBJFA-UHFFFAOYSA-N 0 0 449.601 3.816 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1 ZINC000017191386 569175884 /nfs/dbraw/zinc/17/58/84/569175884.db2.gz HVFDIDXZRRQLBW-UHFFFAOYSA-N 0 0 434.564 3.690 50 0 IHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000001972174 569177085 /nfs/dbraw/zinc/17/70/85/569177085.db2.gz VYKCWVGEDPPQRM-UHFFFAOYSA-N 0 0 429.384 3.645 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc3c(c1)OCO3)sc1c2CCCC1 ZINC000002399279 569180791 /nfs/dbraw/zinc/18/07/91/569180791.db2.gz CUAXKFDJWTWMAL-UHFFFAOYSA-N 0 0 443.550 3.816 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C/c4ccccc4Br)c(=O)n3n2)cc1 ZINC000026503112 569180976 /nfs/dbraw/zinc/18/09/76/569180976.db2.gz NWZVZSHCZJRDMG-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002108958 569181826 /nfs/dbraw/zinc/18/18/26/569181826.db2.gz ANYNUAYZGOSFKZ-RYUVBPIJSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN COc1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119408 569182819 /nfs/dbraw/zinc/18/28/19/569182819.db2.gz PNZVVNMGDOMIBA-NVXWUHKLSA-N 0 0 431.286 3.636 50 0 biogenic IHAARN CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]1c1coc2ccccc2c1=O ZINC000252427623 569183317 /nfs/dbraw/zinc/18/33/17/569183317.db2.gz ADZJARQMKWNYLU-LNLFQRSKSA-N 0 0 445.258 3.576 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1)occ3-c1ccccc1 ZINC000002125698 569184025 /nfs/dbraw/zinc/18/40/25/569184025.db2.gz PNHVXJQDYSFZOP-UHFFFAOYSA-N 0 0 444.487 3.781 50 0 biogenic IHAARN COC(=O)c1ccc(OC[C@H](O)COc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000027213832 569186125 /nfs/dbraw/zinc/18/61/25/569186125.db2.gz MDKSQXYCIUJDAL-KRWDZBQOSA-N 0 0 427.478 3.606 50 0 IHAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002152799 569187429 /nfs/dbraw/zinc/18/74/29/569187429.db2.gz MUISXJHOTMYOAH-REWPJTCUSA-N 0 0 437.927 3.543 50 0 biogenic IHAARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000170644948 569188861 /nfs/dbraw/zinc/18/88/61/569188861.db2.gz GFBUSAVOGRJVQY-UHFFFAOYSA-N 0 0 425.554 3.969 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](CC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403457 569194909 /nfs/dbraw/zinc/19/49/09/569194909.db2.gz CXUUBRSXRMMDEX-KXBFYZLASA-N 0 0 427.932 3.980 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@H]3CCCO3)C(=O)C(C)C)cc2)cc1 ZINC000037400244 569194924 /nfs/dbraw/zinc/19/49/24/569194924.db2.gz VVUMWKDFJAEOGE-OAQYLSRUSA-N 0 0 447.553 3.627 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1 ZINC000037400730 569195014 /nfs/dbraw/zinc/19/50/14/569195014.db2.gz HBNKQYXIWJBNIW-FQEVSTJZSA-N 0 0 447.553 3.627 50 0 IHAARN COCC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000037422967 569195583 /nfs/dbraw/zinc/19/55/83/569195583.db2.gz USYHSLIOJPLADB-UHFFFAOYSA-N 0 0 429.897 3.630 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21 ZINC000037511602 569197972 /nfs/dbraw/zinc/19/79/72/569197972.db2.gz STIBDEVYWLPYDY-INIZCTEOSA-N 0 0 448.450 3.840 50 0 IHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC(C)C)C(=O)CO3)cc1C ZINC000037512116 569198036 /nfs/dbraw/zinc/19/80/36/569198036.db2.gz NHZLXPASEJPUKJ-UHFFFAOYSA-N 0 0 438.524 3.595 50 0 IHAARN O=C(NCc1cccnc1)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000037524232 569198522 /nfs/dbraw/zinc/19/85/22/569198522.db2.gz XLGOUCGTMXNCJA-UHFFFAOYSA-N 0 0 432.499 3.550 50 0 IHAARN CC(C)NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000037524416 569198524 /nfs/dbraw/zinc/19/85/24/569198524.db2.gz SZEHHBNTPVSFIH-UHFFFAOYSA-N 0 0 429.948 3.642 50 0 IHAARN Cc1ccc([C@@H]2c3cc(O[C@@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037602741 569202460 /nfs/dbraw/zinc/20/24/60/569202460.db2.gz ZRGDHNSKUMCGCM-UQBPGWFLSA-N 0 0 448.563 3.505 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CS(=O)(=O)C3)cc1 ZINC000003008546 569212960 /nfs/dbraw/zinc/21/29/60/569212960.db2.gz HVMRVCYVOHVARK-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000225068102 569215259 /nfs/dbraw/zinc/21/52/59/569215259.db2.gz SXZFEQNHHKIKGS-LAUBAEHRSA-N 0 0 433.449 3.991 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl ZINC000002257805 569215372 /nfs/dbraw/zinc/21/53/72/569215372.db2.gz PTMJCYVJVQEGHS-MEBBXXQBSA-N 0 0 429.325 3.832 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000002274255 569217803 /nfs/dbraw/zinc/21/78/03/569217803.db2.gz IPNUCBYVUVCVQQ-OAHLLOKOSA-N 0 0 430.551 3.810 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000004761869 569256636 /nfs/dbraw/zinc/25/66/36/569256636.db2.gz XBCAGYLUHKWBLO-WFXMLNOXSA-N 0 0 426.513 3.576 50 0 IHAARN COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253397949 569264694 /nfs/dbraw/zinc/26/46/94/569264694.db2.gz BTWIHGAFUIOEQO-FQEVSTJZSA-N 0 0 431.492 3.676 50 0 biogenic IHAARN O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000253408267 569265583 /nfs/dbraw/zinc/26/55/83/569265583.db2.gz XJYXYWIIMVMLKR-RLLQIKCJSA-N 0 0 441.471 3.987 50 0 IHAARN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1cccc(-c2noc(C(F)F)n2)c1 ZINC000253421749 569266956 /nfs/dbraw/zinc/26/69/56/569266956.db2.gz OMWYFMSZYBXPRC-UHFFFAOYSA-N 0 0 435.452 3.660 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2s1 ZINC000253430155 569267633 /nfs/dbraw/zinc/26/76/33/569267633.db2.gz DTUDGJRGDIAFFB-UHFFFAOYSA-N 0 0 441.578 3.850 50 0 IHAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000002296271 569268286 /nfs/dbraw/zinc/26/82/86/569268286.db2.gz CJIWPWJAFVMYAN-GFCCVEGCSA-N 0 0 440.550 3.800 50 0 IHAARN COCCOC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000002330894 569274560 /nfs/dbraw/zinc/27/45/60/569274560.db2.gz MFXYBSUOEZHPPE-UHFFFAOYSA-N 0 0 441.285 3.722 50 0 IHAARN CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1 ZINC000253499970 569283447 /nfs/dbraw/zinc/28/34/47/569283447.db2.gz SPCOYRJFXKKGPF-FPEPEGINSA-N 0 0 432.557 3.667 50 0 biogenic IHAARN COc1cc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OCCC(C)C ZINC000002374074 569289246 /nfs/dbraw/zinc/28/92/46/569289246.db2.gz HHYYBHAOLCKPGR-MOSHPQCFSA-N 0 0 439.512 3.938 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1F ZINC000002390990 569297663 /nfs/dbraw/zinc/29/76/63/569297663.db2.gz IGAUWWRHGXLQCE-INIZCTEOSA-N 0 0 433.720 3.567 50 0 IHAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 ZINC000002391514 569297850 /nfs/dbraw/zinc/29/78/50/569297850.db2.gz QCPSQQKHGREMRD-UHFFFAOYSA-N 0 0 441.557 3.750 50 0 IHAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n21)CCC3 ZINC000002393695 569298087 /nfs/dbraw/zinc/29/80/87/569298087.db2.gz UJGYNTDQJGDPSM-UHFFFAOYSA-N 0 0 434.597 3.737 50 0 IHAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccc(Cl)c1 ZINC000002396114 569298474 /nfs/dbraw/zinc/29/84/74/569298474.db2.gz FLTLZJYVYPLCNF-UHFFFAOYSA-N 0 0 438.738 3.806 50 0 IHAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)N3CCOCC3)c2c2c1CCC2 ZINC000002401363 569299658 /nfs/dbraw/zinc/29/96/58/569299658.db2.gz SJJBURSTMBNJQT-UHFFFAOYSA-N 0 0 428.583 3.803 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@H]32)cc1 ZINC000002405003 569299982 /nfs/dbraw/zinc/29/99/82/569299982.db2.gz IFOYPCNDWLAKSH-BFUOFWGJSA-N 0 0 440.546 3.803 50 0 IHAARN CC(C)OCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002408313 569300250 /nfs/dbraw/zinc/30/02/50/569300250.db2.gz MZTYLJGHWFPIIF-UHFFFAOYSA-N 0 0 442.516 3.954 50 0 IHAARN COc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc(OC)c1OC ZINC000002447907 569304608 /nfs/dbraw/zinc/30/46/08/569304608.db2.gz PQWKMKKBHCIOQU-UHFFFAOYSA-N 0 0 440.447 3.996 50 0 IHAARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 ZINC000012661229 569304862 /nfs/dbraw/zinc/30/48/62/569304862.db2.gz RUQBPCMPFRJFIH-YEBZQEAVSA-N 0 0 432.557 3.698 50 0 biogenic IHAARN O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(Cl)c1 ZINC000013009996 569306758 /nfs/dbraw/zinc/30/67/58/569306758.db2.gz LQSUKWZKZFNKNE-UHFFFAOYSA-N 0 0 426.889 3.860 50 0 IHAARN O=C(COC(=O)c1cc(C2CC2)nc2ccccc21)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000013016580 569307155 /nfs/dbraw/zinc/30/71/55/569307155.db2.gz XCZFIDDQHSGQTB-UHFFFAOYSA-N 0 0 426.472 3.987 50 0 IHAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(Cl)cc1 ZINC000013030225 569307464 /nfs/dbraw/zinc/30/74/64/569307464.db2.gz DXOZWDODRJAFPZ-UHFFFAOYSA-N 0 0 435.977 3.585 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000013037849 569307574 /nfs/dbraw/zinc/30/75/74/569307574.db2.gz RIJRDJMWKLOHAG-UHFFFAOYSA-N 0 0 431.073 3.943 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CC=C(c3ccccc3)CC2)ccc1C ZINC000013038085 569307747 /nfs/dbraw/zinc/30/77/47/569307747.db2.gz YTPPQNOHWUJBGM-UHFFFAOYSA-N 0 0 441.597 3.753 50 0 IHAARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013068318 569308766 /nfs/dbraw/zinc/30/87/66/569308766.db2.gz JWHWLEDZXWALHO-JPVKTXQWSA-N 0 0 435.505 3.858 50 0 IHAARN Cc1ccc(C(O)=C2[C@H](c3ccc(Cl)cc3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013109400 569310254 /nfs/dbraw/zinc/31/02/54/569310254.db2.gz CXTLQMTZCXJYPB-MPGHIAIKSA-N 0 0 428.863 3.917 50 0 IHAARN CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000013141118 569311751 /nfs/dbraw/zinc/31/17/51/569311751.db2.gz UGZAWLFAPCFPGC-UHFFFAOYSA-N 0 0 428.558 3.613 50 0 IHAARN COC(=O)c1cc(OC(=O)c2cc(Br)ccc2Cl)cc(C(=O)OC)c1 ZINC000013148952 569312175 /nfs/dbraw/zinc/31/21/75/569312175.db2.gz COXGESNFSDHIBV-UHFFFAOYSA-N 0 0 427.634 3.895 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1OC ZINC000013357886 569313723 /nfs/dbraw/zinc/31/37/23/569313723.db2.gz HVNJYGICMVTRPD-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N(CC)c3ccccc3)cc2C[C@H]1C ZINC000013365830 569314214 /nfs/dbraw/zinc/31/42/14/569314214.db2.gz UATCCCXTODLWKB-QGZVFWFLSA-N 0 0 428.554 3.591 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3CC)cc2C[C@H]1C ZINC000013365834 569314223 /nfs/dbraw/zinc/31/42/23/569314223.db2.gz CSHNXLNTIGWRIO-MRXNPFEDSA-N 0 0 428.554 3.739 50 0 IHAARN CC(C)(C)[C@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O ZINC000328593114 569317333 /nfs/dbraw/zinc/31/73/33/569317333.db2.gz BJVCPPJUVVUHBJ-GUYCJALGSA-N 0 0 430.555 3.658 50 0 IHAARN Cc1[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c(C)c1C(=O)OC(C)C ZINC000078875144 569319788 /nfs/dbraw/zinc/31/97/88/569319788.db2.gz CAVDHDPCRNXQOA-INIZCTEOSA-N 0 0 431.920 3.776 50 0 IHAARN COCc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)c1 ZINC000078878082 569319880 /nfs/dbraw/zinc/31/98/80/569319880.db2.gz JTUMDGYLTUCDMP-FQEVSTJZSA-N 0 0 444.329 3.763 50 0 IHAARN Nc1c(Br)c(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000078903652 569320254 /nfs/dbraw/zinc/32/02/54/569320254.db2.gz JESDRXJHTGCVEJ-LLVKDONJSA-N 0 0 437.269 3.934 50 0 IHAARN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000079016020 569321948 /nfs/dbraw/zinc/32/19/48/569321948.db2.gz IHJGNCKISMSKDL-HSZRJFAPSA-N 0 0 438.549 3.992 50 0 IHAARN Cc1c(NC(=O)[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000079055029 569323640 /nfs/dbraw/zinc/32/36/40/569323640.db2.gz TZKZMCHVSIZTPI-RTBURBONSA-N 0 0 442.560 3.897 50 0 IHAARN C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc2S1 ZINC000079074712 569324711 /nfs/dbraw/zinc/32/47/11/569324711.db2.gz YHWHVEVKZSTRDA-CYBMUJFWSA-N 0 0 434.359 3.505 50 0 IHAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cccc3c2n(c1=O)CCC3 ZINC000079193007 569328052 /nfs/dbraw/zinc/32/80/52/569328052.db2.gz SNIIEFSKLMHYCI-CVDCTZTESA-N 0 0 443.455 3.510 50 0 biogenic IHAARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000019830623 569330140 /nfs/dbraw/zinc/33/01/40/569330140.db2.gz LWUOBINQTXSOCU-UHFFFAOYSA-N 0 0 449.555 3.973 50 0 IHAARN COc1cccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000079480618 569330864 /nfs/dbraw/zinc/33/08/64/569330864.db2.gz PGWOQPZJPRHVHC-UHFFFAOYSA-N 0 0 437.565 3.554 50 0 IHAARN Cc1cc(=O)c(O)c(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1C ZINC000079479469 569330896 /nfs/dbraw/zinc/33/08/96/569330896.db2.gz HCHJLTDUJRGAGV-DEOSSOPVSA-N 0 0 437.971 3.960 50 0 IHAARN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)OCC(=O)c1ccccc1 ZINC000019881747 569331637 /nfs/dbraw/zinc/33/16/37/569331637.db2.gz TYLHPKZZVMXSAL-UHFFFAOYSA-N 0 0 428.532 3.820 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC ZINC000002463318 569331654 /nfs/dbraw/zinc/33/16/54/569331654.db2.gz LZDIDLGNXREJNR-KUHUBIRLSA-N 0 0 432.542 3.942 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020137026 569335822 /nfs/dbraw/zinc/33/58/22/569335822.db2.gz XBYUOBZYKCMBKF-FQEVSTJZSA-N 0 0 428.579 3.957 50 0 IHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000020137291 569335901 /nfs/dbraw/zinc/33/59/01/569335901.db2.gz MPQNUBSQOQLSFY-UHFFFAOYSA-N 0 0 438.752 3.975 50 0 IHAARN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000020180811 569355160 /nfs/dbraw/zinc/35/51/60/569355160.db2.gz QVVULVOYBSCEJO-FOKLQQMPSA-N 0 0 446.434 3.637 50 0 IHAARN Cn1c(=O)cc(SCC(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000020234289 569357282 /nfs/dbraw/zinc/35/72/82/569357282.db2.gz YJHIGLANYIMNOR-UHFFFAOYSA-N 0 0 441.984 3.628 50 0 IHAARN Cc1ccsc1-c1nc(CSCC(=O)N2CCN(c3ccccn3)CC2)c(C)o1 ZINC000020241325 569357919 /nfs/dbraw/zinc/35/79/19/569357919.db2.gz ZEMAIIAWSDRDSL-UHFFFAOYSA-N 0 0 428.583 3.997 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280956 569358747 /nfs/dbraw/zinc/35/87/47/569358747.db2.gz VCTKJWVGWNMRJA-SFHVURJKSA-N 0 0 432.571 3.756 50 0 IHAARN CCOC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)CC1 ZINC000020355384 569361325 /nfs/dbraw/zinc/36/13/25/569361325.db2.gz UQCWQWHUXNGHAE-UHFFFAOYSA-N 0 0 438.528 3.810 50 0 IHAARN Cc1csc([C@](O)(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C(F)(F)F)n1 ZINC000095390009 569363434 /nfs/dbraw/zinc/36/34/34/569363434.db2.gz TWGKNYGVHWIASJ-MRXNPFEDSA-N 0 0 433.477 3.842 50 0 IHAARN COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000095405164 569364466 /nfs/dbraw/zinc/36/44/66/569364466.db2.gz NLGQBPSPAOZWAG-CVDCTZTESA-N 0 0 449.532 3.791 50 0 IHAARN COc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)cc1 ZINC000020417260 569364935 /nfs/dbraw/zinc/36/49/35/569364935.db2.gz RMSNWNFDLLFDME-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN COc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 ZINC000020417437 569364949 /nfs/dbraw/zinc/36/49/49/569364949.db2.gz YXAXZLWJMUIIMW-UHFFFAOYSA-N 0 0 434.471 3.650 50 0 IHAARN COC(=O)CN(CCC(F)(F)F)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000095409559 569365147 /nfs/dbraw/zinc/36/51/47/569365147.db2.gz GQAKVQQXNPDYLV-UHFFFAOYSA-N 0 0 435.752 3.510 50 0 IHAARN C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC000095441413 569366787 /nfs/dbraw/zinc/36/67/87/569366787.db2.gz XKSDGUFJXDFHHE-KRWDZBQOSA-N 0 0 425.529 3.697 50 0 IHAARN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000095455587 569368521 /nfs/dbraw/zinc/36/85/21/569368521.db2.gz JWHTUQHXDOCALH-UHFFFAOYSA-N 0 0 429.298 3.922 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3nccn3C)cc2)cc1C ZINC000095456708 569368870 /nfs/dbraw/zinc/36/88/70/569368870.db2.gz ULCKXNNBYZOCRN-NRFANRHFSA-N 0 0 438.553 3.815 50 0 IHAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)c1 ZINC000095457978 569369088 /nfs/dbraw/zinc/36/90/88/569369088.db2.gz SFDOVMSGUQQGEW-HKUYNNGSSA-N 0 0 426.561 3.879 50 0 IHAARN O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000095461344 569369855 /nfs/dbraw/zinc/36/98/55/569369855.db2.gz MSRRCEIDXCTAAR-NRFANRHFSA-N 0 0 447.445 3.584 50 0 IHAARN CC(C)[C@H]1CN(CC(F)(F)F)CCN1CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000095468503 569371387 /nfs/dbraw/zinc/37/13/87/569371387.db2.gz CZRJCLUQOXNSQE-QGZVFWFLSA-N 0 0 426.932 3.708 50 0 IHAARN COc1cc(NC(=O)CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c(OC)cc1Cl ZINC000095469113 569371420 /nfs/dbraw/zinc/37/14/20/569371420.db2.gz KKEHSBIHXXROML-UHFFFAOYSA-N 0 0 444.894 3.679 50 0 IHAARN Cc1ncc(CN2CCN(C)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095478022 569373348 /nfs/dbraw/zinc/37/33/48/569373348.db2.gz XYZSJWLWVJMARM-UHFFFAOYSA-N 0 0 428.330 3.877 50 0 IHAARN Cc1csc(-c2cccc(CNC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n1 ZINC000095478363 569373473 /nfs/dbraw/zinc/37/34/73/569373473.db2.gz ZIQRDMAWLRZNFU-IBGZPJMESA-N 0 0 434.521 3.915 50 0 IHAARN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000095483636 569374669 /nfs/dbraw/zinc/37/46/69/569374669.db2.gz JHOANXJVAKMHAI-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc(Br)cnc1Cl ZINC000095956304 569376857 /nfs/dbraw/zinc/37/68/57/569376857.db2.gz WGCKLHWTFXOGAU-UHFFFAOYSA-N 0 0 425.638 3.746 50 0 IHAARN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC000095964492 569377202 /nfs/dbraw/zinc/37/72/02/569377202.db2.gz YKLNPZZIXBDDDK-UHFFFAOYSA-N 0 0 439.331 3.878 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]2CSCN2[C@]12c1ccccc1N(CC)C2=O ZINC000021152358 569377645 /nfs/dbraw/zinc/37/76/45/569377645.db2.gz DCHGEZVGGQIRPO-SDWUMEBZSA-N 0 0 437.565 3.681 50 0 biogenic IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000095986359 569378049 /nfs/dbraw/zinc/37/80/49/569378049.db2.gz XOYSQKOOTCOMOP-VXGBXAGGSA-N 0 0 444.887 3.668 50 0 IHAARN COCCN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000095993197 569378318 /nfs/dbraw/zinc/37/83/18/569378318.db2.gz MVOHUPVGJJZNKB-HXUWFJFHSA-N 0 0 437.515 3.806 50 0 IHAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000095992247 569378329 /nfs/dbraw/zinc/37/83/29/569378329.db2.gz QHONJENDZKVUQA-GOSISDBHSA-N 0 0 444.553 3.776 50 0 IHAARN COc1cc(C)ccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F ZINC000095997580 569378940 /nfs/dbraw/zinc/37/89/40/569378940.db2.gz YPPYIYCHOYNYCW-PBHICJAKSA-N 0 0 446.466 3.829 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 ZINC000096006812 569379469 /nfs/dbraw/zinc/37/94/69/569379469.db2.gz NXTGFVBSDQUWOZ-MRXNPFEDSA-N 0 0 441.492 3.721 50 0 IHAARN O=C(NC1CC1)c1cccc(OC(=O)c2cnn(-c3ccccc3)c2Br)c1 ZINC000096006699 569379503 /nfs/dbraw/zinc/37/95/03/569379503.db2.gz VFOQCQQBBAFXBI-UHFFFAOYSA-N 0 0 426.270 3.746 50 0 IHAARN CNC(=O)CN(C(=O)/C=C\c1cc(Cl)c(OC(C)C)c(OC)c1)c1cccc(OC)c1 ZINC000096102434 569381893 /nfs/dbraw/zinc/38/18/93/569381893.db2.gz UFCFDGOFOKBEPU-KTKRTIGZSA-N 0 0 446.931 3.937 50 0 IHAARN O=C(Cc1ccc(Br)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103483 569381975 /nfs/dbraw/zinc/38/19/75/569381975.db2.gz ZGNGZEMHLANXDE-QGZVFWFLSA-N 0 0 442.762 3.720 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105360 569382318 /nfs/dbraw/zinc/38/23/18/569382318.db2.gz BVQCVHNHKOXAKT-UHFFFAOYSA-N 0 0 446.334 3.649 50 0 IHAARN O=C(c1ccc2ccccc2n1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105312 569382327 /nfs/dbraw/zinc/38/23/27/569382327.db2.gz VBDXNGVZKURPGK-UHFFFAOYSA-N 0 0 448.910 3.615 50 0 IHAARN O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105561 569382396 /nfs/dbraw/zinc/38/23/96/569382396.db2.gz FDVNMXIQQLKDOA-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105510 569382446 /nfs/dbraw/zinc/38/24/46/569382446.db2.gz HPDKGWFMHNMGFU-UHFFFAOYSA-N 0 0 432.307 3.720 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4cc(F)ccc4Cl)CC3)C2=O)c1 ZINC000096105587 569382534 /nfs/dbraw/zinc/38/25/34/569382534.db2.gz VSAUUVZIDBGFAA-UHFFFAOYSA-N 0 0 443.906 3.823 50 0 IHAARN COc1ccccc1Cn1cc(C(=O)Nc2nnc(CC(C)C)[nH]2)c2ccccc2c1=O ZINC000096117456 569384098 /nfs/dbraw/zinc/38/40/98/569384098.db2.gz OUGHYOQDPOIRBZ-UHFFFAOYSA-N 0 0 431.496 3.627 50 0 IHAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(F)c2F)CCO1 ZINC000096118400 569384477 /nfs/dbraw/zinc/38/44/77/569384477.db2.gz CFSIYHGGBLPFTN-JDNHERCYSA-N 0 0 427.448 3.911 50 0 IHAARN COC(=O)c1nc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)sc1C ZINC000096118618 569384580 /nfs/dbraw/zinc/38/45/80/569384580.db2.gz ZDGZAQKZFDLVEU-UHFFFAOYSA-N 0 0 433.511 3.560 50 0 IHAARN O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccccc2Br)s1 ZINC000096119823 569384801 /nfs/dbraw/zinc/38/48/01/569384801.db2.gz VCJBKVWKTZBWLR-UHFFFAOYSA-N 0 0 426.313 3.813 50 0 IHAARN O=C(NCCOc1ccccc1)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124052 569385343 /nfs/dbraw/zinc/38/53/43/569385343.db2.gz XWKGONHDOOVCTQ-UHFFFAOYSA-N 0 0 441.535 3.832 50 0 IHAARN COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000096129709 569385727 /nfs/dbraw/zinc/38/57/27/569385727.db2.gz QSUFIOCRSZYAFO-ULKYWBSGSA-N 0 0 448.878 3.576 50 0 IHAARN CCOc1cc(C=Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc(Br)c1O ZINC000096133885 569385892 /nfs/dbraw/zinc/38/58/92/569385892.db2.gz SXERYEUAVLLQOP-DAXSKMNVSA-N 0 0 445.269 3.747 50 0 IHAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1cccc2nccnc21 ZINC000096232025 569387741 /nfs/dbraw/zinc/38/77/41/569387741.db2.gz GMTCGHXUWOSKQB-ZDUSSCGKSA-N 0 0 442.397 3.762 50 0 IHAARN COc1ccc2[nH]cc([C@H](CCc3ccccc3)CC(=O)NCCN3CCOCC3)c2c1 ZINC000096275222 569388226 /nfs/dbraw/zinc/38/82/26/569388226.db2.gz SDRYBYGAPHQUPF-OAQYLSRUSA-N 0 0 435.568 3.731 50 0 IHAARN CCc1cccc2c([C@H](CC(=O)NCCN3CCOCC3)c3ccccc3OC)c[nH]c21 ZINC000096276597 569388626 /nfs/dbraw/zinc/38/86/26/569388626.db2.gz CHAUMPLLWMYKTQ-JOCHJYFZSA-N 0 0 435.568 3.709 50 0 IHAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1F)NCCN1CCOCC1 ZINC000096276843 569388645 /nfs/dbraw/zinc/38/86/45/569388645.db2.gz CQAFOMPAHKMDHH-GOSISDBHSA-N 0 0 429.923 3.931 50 0 IHAARN CC(C)NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000096280252 569389541 /nfs/dbraw/zinc/38/95/41/569389541.db2.gz IPZSHLBSZUTXDI-LJQANCHMSA-N 0 0 426.388 3.835 50 0 IHAARN CCN(C(C)=O)c1nc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)cc3)C2=O)cs1 ZINC000096315800 569392720 /nfs/dbraw/zinc/39/27/20/569392720.db2.gz XJLPMEXGHPFUQW-CXUHLZMHSA-N 0 0 445.522 3.539 50 0 IHAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096316790 569392865 /nfs/dbraw/zinc/39/28/65/569392865.db2.gz LLSIMYHTCXLNOJ-UHFFFAOYSA-N 0 0 428.552 3.781 50 0 IHAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316762 569392892 /nfs/dbraw/zinc/39/28/92/569392892.db2.gz IPTOULMTYBXFLU-UHFFFAOYSA-N 0 0 437.588 3.640 50 0 IHAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(Cl)c1 ZINC000096317428 569393305 /nfs/dbraw/zinc/39/33/05/569393305.db2.gz IVBAOMGGPNPXCN-UHFFFAOYSA-N 0 0 445.995 3.794 50 0 IHAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(OC)c1 ZINC000096317573 569393502 /nfs/dbraw/zinc/39/35/02/569393502.db2.gz GBRVLBIHQGDURP-UHFFFAOYSA-N 0 0 430.552 3.974 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2[C@H](C)C(=O)NCc1ccco1 ZINC000096318333 569393872 /nfs/dbraw/zinc/39/38/72/569393872.db2.gz HHIGZEZPTXOVJX-GOSISDBHSA-N 0 0 431.492 3.548 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)c1 ZINC000096322255 569394528 /nfs/dbraw/zinc/39/45/28/569394528.db2.gz WUMMCUAVGMFKFR-UHFFFAOYSA-N 0 0 433.855 3.923 50 0 IHAARN COc1ccccc1-c1ccc(=O)n(Cc2nc(-c3ccc(Br)cc3)no2)n1 ZINC000096322856 569394896 /nfs/dbraw/zinc/39/48/96/569394896.db2.gz ZTBLWPVJQQVOLS-UHFFFAOYSA-N 0 0 439.269 3.780 50 0 IHAARN CCCCNC(=O)CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000096324456 569395801 /nfs/dbraw/zinc/39/58/01/569395801.db2.gz QZHVHZILGAHBLR-UHFFFAOYSA-N 0 0 428.583 3.872 50 0 IHAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(F)c(F)c1)C3 ZINC000096326915 569396314 /nfs/dbraw/zinc/39/63/14/569396314.db2.gz UGEQQUGXBLBONZ-UHFFFAOYSA-N 0 0 433.842 3.877 50 0 IHAARN Cc1cc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)n[nH]1 ZINC000096341449 569396819 /nfs/dbraw/zinc/39/68/19/569396819.db2.gz UXAMOCWHDJQJAG-UHFFFAOYSA-N 0 0 430.599 3.883 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C12CCCCC2 ZINC000096344400 569397049 /nfs/dbraw/zinc/39/70/49/569397049.db2.gz CQIBJZFLTDBLEN-QHCPKHFHSA-N 0 0 446.551 3.768 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358589 569397553 /nfs/dbraw/zinc/39/75/53/569397553.db2.gz NJQNIWVEXWRIOP-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)c1 ZINC000096372449 569397899 /nfs/dbraw/zinc/39/78/99/569397899.db2.gz UQRXLFDGXNHCOZ-UHFFFAOYSA-N 0 0 440.503 3.631 50 0 IHAARN CCOc1ccc([C@@H](C)NC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000096385808 569398314 /nfs/dbraw/zinc/39/83/14/569398314.db2.gz HSOPUGXSIVFPRA-MRXNPFEDSA-N 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ZINC000096402654 569400488 /nfs/dbraw/zinc/40/04/88/569400488.db2.gz PZYYAUITYHAUPD-QWGSZXSUSA-N 0 0 429.900 3.962 50 0 IHAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)OC)C1=O ZINC000096476092 569400925 /nfs/dbraw/zinc/40/09/25/569400925.db2.gz JWHPUQQRKMSYBX-DOQDJBIESA-N 0 0 428.304 3.836 50 0 IHAARN CC[C@H](C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)OC)C1=O ZINC000096476094 569400941 /nfs/dbraw/zinc/40/09/41/569400941.db2.gz JWHPUQQRKMSYBX-WULZRQGASA-N 0 0 428.304 3.836 50 0 IHAARN COc1ccc(/N=c2/scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1 ZINC000002475299 569404375 /nfs/dbraw/zinc/40/43/75/569404375.db2.gz VVSWWFIFVKDIQM-WCWDXBQESA-N 0 0 425.554 3.798 50 0 IHAARN Cc1nc(C)c(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)s1 ZINC000225561751 569404497 /nfs/dbraw/zinc/40/44/97/569404497.db2.gz ZQWJPBXOUVMNDZ-UHFFFAOYSA-N 0 0 427.505 3.894 50 0 IHAARN CC(C)(C)c1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408321 569404721 /nfs/dbraw/zinc/40/47/21/569404721.db2.gz JQKWSPMXBJIJLJ-LEWJYISDSA-N 0 0 447.000 3.652 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498767 569405663 /nfs/dbraw/zinc/40/56/63/569405663.db2.gz TWIMUFAFHLVCAG-TZMCWYRMSA-N 0 0 449.436 3.606 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498770 569405851 /nfs/dbraw/zinc/40/58/51/569405851.db2.gz TWIMUFAFHLVCAG-OCCSQVGLSA-N 0 0 449.436 3.606 50 0 IHAARN O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225721876 569407448 /nfs/dbraw/zinc/40/74/48/569407448.db2.gz UIAAWYWWFCTWEF-GOSISDBHSA-N 0 0 437.487 3.947 50 0 IHAARN O=C1CN(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1c1ccccc1 ZINC000225821860 569409228 /nfs/dbraw/zinc/40/92/28/569409228.db2.gz KNLLWFRCCTYTMT-UHFFFAOYSA-N 0 0 428.330 3.882 50 0 IHAARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)N4CCC(C(N)=O)CC4)c(N)c3cc2C1 ZINC000215689295 569412252 /nfs/dbraw/zinc/41/22/52/569412252.db2.gz PXAVDDHYJWDLFD-HNNXBMFYSA-N 0 0 428.602 3.757 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCCC2=O)c1 ZINC000002634694 569412803 /nfs/dbraw/zinc/41/28/03/569412803.db2.gz MTWNMKHYUYDQBY-HXUWFJFHSA-N 0 0 435.929 3.829 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NCCc1ccccc1 ZINC000002635425 569412851 /nfs/dbraw/zinc/41/28/51/569412851.db2.gz KPFGUVPUPKEJLN-UHFFFAOYSA-N 0 0 433.508 3.976 50 0 IHAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3cc4ccccc4oc3=O)n2)cc1 ZINC000002641413 569413795 /nfs/dbraw/zinc/41/37/95/569413795.db2.gz BFYABSADRUOQRF-UHFFFAOYSA-N 0 0 436.445 3.721 50 0 IHAARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 ZINC000002648983 569414571 /nfs/dbraw/zinc/41/45/71/569414571.db2.gz HACSITIUPDJVDG-QFIPXVFZSA-N 0 0 434.467 3.547 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C)cc2O)cc1 ZINC000002651345 569414868 /nfs/dbraw/zinc/41/48/68/569414868.db2.gz NXCSGNKGMNFUAF-UHFFFAOYSA-N 0 0 434.448 3.757 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H](c3ccccc3)n3cnnn3)cc2)cc1 ZINC000002651875 569414871 /nfs/dbraw/zinc/41/48/71/569414871.db2.gz ORTAGMMLZZZNFB-QFIPXVFZSA-N 0 0 442.479 3.552 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000002658705 569415788 /nfs/dbraw/zinc/41/57/88/569415788.db2.gz UUQXMBHYZBLDMN-UHFFFAOYSA-N 0 0 438.436 3.693 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000215754248 569415944 /nfs/dbraw/zinc/41/59/44/569415944.db2.gz DFFXWCRKAUSMKX-CALCHBBNSA-N 0 0 433.643 3.819 50 0 IHAARN O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000002660279 569416047 /nfs/dbraw/zinc/41/60/47/569416047.db2.gz XTWONVOZIIYKHB-UHFFFAOYSA-N 0 0 442.513 3.933 50 0 IHAARN CCOC(=O)[C@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(F)cc1 ZINC000002706167 569417419 /nfs/dbraw/zinc/41/74/19/569417419.db2.gz WDFUUPFRMDDVIQ-HNNXBMFYSA-N 0 0 433.534 3.923 50 0 IHAARN COc1cc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc(OC)c1OC ZINC000002726561 569418750 /nfs/dbraw/zinc/41/87/50/569418750.db2.gz VNLXRXGIXYCGPH-GOSISDBHSA-N 0 0 436.464 3.511 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000002754305 569420369 /nfs/dbraw/zinc/42/03/69/569420369.db2.gz BUTVTMFODWBBTQ-YOEHRIQHSA-N 0 0 436.438 3.759 50 0 IHAARN CCOC(=O)c1sc2ncn3nc([C@@H](C)Cn4cc(Br)cn4)nc3c2c1C ZINC000002790267 569421560 /nfs/dbraw/zinc/42/15/60/569421560.db2.gz MAUSKTHTXLQUAY-VIFPVBQESA-N 0 0 449.334 3.587 50 0 IHAARN CCOC(=O)c1sc2ncn3nc(-c4ccc(Cn5nc(C)cc5C)o4)nc3c2c1C ZINC000002791406 569421805 /nfs/dbraw/zinc/42/18/05/569421805.db2.gz XRHUUMWLEPITSH-UHFFFAOYSA-N 0 0 436.497 3.946 50 0 IHAARN CCOCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1 ZINC000002926545 569425654 /nfs/dbraw/zinc/42/56/54/569425654.db2.gz XHIBVLPNHIHAQJ-UHFFFAOYSA-N 0 0 427.501 3.516 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000002932220 569426096 /nfs/dbraw/zinc/42/60/96/569426096.db2.gz WHTYWEMWDDYBEY-UHFFFAOYSA-N 0 0 439.493 3.956 50 0 IHAARN O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCCc1ccccc1 ZINC000002938600 569426545 /nfs/dbraw/zinc/42/65/45/569426545.db2.gz OKRIEFHFUJHXCT-IBGZPJMESA-N 0 0 432.929 3.702 50 0 IHAARN CCn1nc(C)cc1NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br ZINC000227159789 569431793 /nfs/dbraw/zinc/43/17/93/569431793.db2.gz ITBZGCAERGIDFN-UHFFFAOYSA-N 0 0 432.322 3.956 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000029753375 569431900 /nfs/dbraw/zinc/43/19/00/569431900.db2.gz IEULPVJSVWADBU-OAQYLSRUSA-N 0 0 447.413 3.913 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414734 569433916 /nfs/dbraw/zinc/43/39/16/569433916.db2.gz BFZJRJMESKIQAQ-DEOSSOPVSA-N 0 0 447.535 3.656 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1OC ZINC000057426253 569434524 /nfs/dbraw/zinc/43/45/24/569434524.db2.gz LRUQCNLMNUEMAW-UHFFFAOYSA-N 0 0 433.555 3.862 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000057426575 569434620 /nfs/dbraw/zinc/43/46/20/569434620.db2.gz NSMLSYASVLPDTB-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN CCCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O ZINC000057426431 569434638 /nfs/dbraw/zinc/43/46/38/569434638.db2.gz KHTHEEIVHZZYBS-UHFFFAOYSA-N 0 0 430.555 3.947 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1Cl ZINC000057428775 569434961 /nfs/dbraw/zinc/43/49/61/569434961.db2.gz VYMBCLSHEIEHHR-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)Nc1ccccc1Cl ZINC000057428976 569434967 /nfs/dbraw/zinc/43/49/67/569434967.db2.gz JKVIASGTZYTEFW-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057429036 569434997 /nfs/dbraw/zinc/43/49/97/569434997.db2.gz KIDOYYJOUODBNI-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1S(=O)(=O)c1ccc(C)cc1 ZINC000003007916 569435231 /nfs/dbraw/zinc/43/52/31/569435231.db2.gz YXOLXOSRRPWYPK-UHFFFAOYSA-N 0 0 448.544 3.985 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)cc1 ZINC000003008549 569435274 /nfs/dbraw/zinc/43/52/74/569435274.db2.gz BGHBFRQZRJTGKS-UHFFFAOYSA-N 0 0 425.510 3.649 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c23)cc1 ZINC000003017665 569435516 /nfs/dbraw/zinc/43/55/16/569435516.db2.gz QKZANTUEWJYQNY-UHFFFAOYSA-N 0 0 433.489 3.843 50 0 IHAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000057472835 569435625 /nfs/dbraw/zinc/43/56/25/569435625.db2.gz KFGVROXDTKMBMS-UHFFFAOYSA-N 0 0 449.894 3.512 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1cccs1)NCc1ccco1 ZINC000057473376 569435740 /nfs/dbraw/zinc/43/57/40/569435740.db2.gz GFYOUWJHTISRDO-UHFFFAOYSA-N 0 0 425.535 3.702 50 0 IHAARN CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000057486012 569436391 /nfs/dbraw/zinc/43/63/91/569436391.db2.gz SVBNRTSXIANICK-UHFFFAOYSA-N 0 0 425.432 3.538 50 0 IHAARN CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000057486109 569436405 /nfs/dbraw/zinc/43/64/05/569436405.db2.gz UMYPKGIGCGHVPF-UHFFFAOYSA-N 0 0 426.325 3.826 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O ZINC000057489606 569437048 /nfs/dbraw/zinc/43/70/48/569437048.db2.gz ZHXCLVIQTWCEPI-UHFFFAOYSA-N 0 0 431.517 3.502 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000057489739 569437090 /nfs/dbraw/zinc/43/70/90/569437090.db2.gz XQCATNISJSWHCL-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000057490738 569437231 /nfs/dbraw/zinc/43/72/31/569437231.db2.gz SNBWMDZSAAAYGC-UHFFFAOYSA-N 0 0 449.532 3.985 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)cc1C ZINC000057491318 569437316 /nfs/dbraw/zinc/43/73/16/569437316.db2.gz SKWHZDWVTFTRIQ-HXUWFJFHSA-N 0 0 445.544 3.634 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000057492138 569437432 /nfs/dbraw/zinc/43/74/32/569437432.db2.gz OLOWMELCOOMDFU-KRWDZBQOSA-N 0 0 425.554 3.622 50 0 IHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1 ZINC000057492661 569437478 /nfs/dbraw/zinc/43/74/78/569437478.db2.gz ABXFSHUCEISMAZ-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2C)c1=O ZINC000057493355 569437547 /nfs/dbraw/zinc/43/75/47/569437547.db2.gz XUTIAQGISFOMFX-UHFFFAOYSA-N 0 0 437.496 3.863 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c(C)c1 ZINC000057493202 569437582 /nfs/dbraw/zinc/43/75/82/569437582.db2.gz NOTAZPGYGMXWEF-LJQANCHMSA-N 0 0 445.544 3.634 50 0 IHAARN CCOC(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[nH]1 ZINC000003034156 569437907 /nfs/dbraw/zinc/43/79/07/569437907.db2.gz VJPFQKGUSTTXJS-UHFFFAOYSA-N 0 0 443.959 3.822 50 0 IHAARN COc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccco2)cc1OC ZINC000003039010 569438045 /nfs/dbraw/zinc/43/80/45/569438045.db2.gz GJSZWGLJZRVFDI-KOBHVQJXSA-N 0 0 426.513 3.788 50 0 IHAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c2)no1 ZINC000230121617 569438721 /nfs/dbraw/zinc/43/87/21/569438721.db2.gz WEEDISBKEVZFSF-QGZVFWFLSA-N 0 0 426.542 3.561 50 0 IHAARN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000230124812 569438846 /nfs/dbraw/zinc/43/88/46/569438846.db2.gz IHNUACMOVHBJPK-FGZHOGPDSA-N 0 0 434.458 3.826 50 0 IHAARN CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n12 ZINC000057522750 569438985 /nfs/dbraw/zinc/43/89/85/569438985.db2.gz MAOAFKBXPQEVKR-UHFFFAOYSA-N 0 0 429.402 3.654 50 0 IHAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000057523101 569439071 /nfs/dbraw/zinc/43/90/71/569439071.db2.gz TUGYSKQXUFZVHF-UHFFFAOYSA-N 0 0 436.512 3.959 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000029936323 569439598 /nfs/dbraw/zinc/43/95/98/569439598.db2.gz DDCKZQFBOYJVLU-JOCHJYFZSA-N 0 0 429.492 3.802 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C ZINC000003103574 569440181 /nfs/dbraw/zinc/44/01/81/569440181.db2.gz FMTJWIZKQPAEBC-MRXNPFEDSA-N 0 0 425.340 3.891 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C2CC2)cc1 ZINC000057727348 569441059 /nfs/dbraw/zinc/44/10/59/569441059.db2.gz BJYVCNBQARRTHL-HXUWFJFHSA-N 0 0 436.371 3.940 50 0 IHAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Br ZINC000003208310 569441745 /nfs/dbraw/zinc/44/17/45/569441745.db2.gz LJMKVNXCCRIKPN-UHFFFAOYSA-N 0 0 443.388 3.858 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC ZINC000003245022 569442699 /nfs/dbraw/zinc/44/26/99/569442699.db2.gz FKUPRECILFFBAG-OAHLLOKOSA-N 0 0 427.526 3.733 50 0 IHAARN COc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)c1 ZINC000003245838 569442730 /nfs/dbraw/zinc/44/27/30/569442730.db2.gz WLEHGNCRCDJLNZ-UHFFFAOYSA-N 0 0 431.517 3.803 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003268786 569443489 /nfs/dbraw/zinc/44/34/89/569443489.db2.gz GLAQMAAHAPAYHY-DEOSSOPVSA-N 0 0 444.531 3.890 50 0 IHAARN NC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccccc1 ZINC000030564709 569443854 /nfs/dbraw/zinc/44/38/54/569443854.db2.gz BFMKBHBLSOTDDO-CYBMUJFWSA-N 0 0 431.930 3.584 50 0 IHAARN CCOc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1OCC ZINC000003283438 569444014 /nfs/dbraw/zinc/44/40/14/569444014.db2.gz XNYFQEANMLFHGA-UHFFFAOYSA-N 0 0 440.569 3.731 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000003295201 569444627 /nfs/dbraw/zinc/44/46/27/569444627.db2.gz PUCORSCYGSEWDJ-UHFFFAOYSA-N 0 0 437.956 3.798 50 0 IHAARN O=C(COC(=O)c1ccc(F)cc1Cl)Nc1cccc(I)c1 ZINC000003295944 569444644 /nfs/dbraw/zinc/44/46/44/569444644.db2.gz QJGYUVJASOQQSS-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)c(C)cc2C)CC1 ZINC000058009335 569444696 /nfs/dbraw/zinc/44/46/96/569444696.db2.gz VWCVCAWXFXNHFT-UHFFFAOYSA-N 0 0 445.585 3.643 50 0 IHAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(I)cc2)c2ccccc2n1 ZINC000003302178 569445086 /nfs/dbraw/zinc/44/50/86/569445086.db2.gz AGXFXXNASQUCNT-UHFFFAOYSA-N 0 0 446.244 3.943 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@@H](C)C2 ZINC000003312982 569445611 /nfs/dbraw/zinc/44/56/11/569445611.db2.gz IYEIKIUPQJNBJY-OLZOCXBDSA-N 0 0 431.510 3.939 50 0 IHAARN Nn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(OC(F)F)cc1 ZINC000003315426 569445717 /nfs/dbraw/zinc/44/57/17/569445717.db2.gz PJVNERFJRXWUKN-KRWDZBQOSA-N 0 0 445.495 3.546 50 0 IHAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000003323195 569446057 /nfs/dbraw/zinc/44/60/57/569446057.db2.gz VTIAUBLCIYSNFC-HNNXBMFYSA-N 0 0 443.956 3.735 50 0 IHAARN O=C(Cn1c2ccccc2nc1NCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000003324175 569446122 /nfs/dbraw/zinc/44/61/22/569446122.db2.gz JFJXUPBZNLEDSY-UHFFFAOYSA-N 0 0 439.563 3.993 50 0 IHAARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000003351868 569447403 /nfs/dbraw/zinc/44/74/03/569447403.db2.gz WQNVDSSCSKTUNE-IRXDYDNUSA-N 0 0 432.542 3.761 50 0 IHAARN Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000003352410 569447412 /nfs/dbraw/zinc/44/74/12/569447412.db2.gz GHLJSPUYLLUQGY-UHFFFAOYSA-N 0 0 433.477 3.510 50 0 IHAARN Cc1c(Cl)cnc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c1Cl ZINC000003352084 569447443 /nfs/dbraw/zinc/44/74/43/569447443.db2.gz NZQOIFKXZXGLLL-CYBMUJFWSA-N 0 0 440.308 3.682 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003357677 569447733 /nfs/dbraw/zinc/44/77/33/569447733.db2.gz NXTWBYHUPODGQC-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058130821 569448288 /nfs/dbraw/zinc/44/82/88/569448288.db2.gz KFCRDOJWKYRVPL-KHYOSLBOSA-N 0 0 427.383 3.550 50 0 IHAARN O=c1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)nc2sccn21 ZINC000003381609 569448862 /nfs/dbraw/zinc/44/88/62/569448862.db2.gz GKAWEFQDESDYED-UHFFFAOYSA-N 0 0 436.497 3.830 50 0 IHAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000003396341 569449464 /nfs/dbraw/zinc/44/94/64/569449464.db2.gz FDJNCCGJOWIIRN-OXJNMPFZSA-N 0 0 437.565 3.890 50 0 IHAARN COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc2c1OCCO2 ZINC000058168240 569449512 /nfs/dbraw/zinc/44/95/12/569449512.db2.gz VGVPYXUSCMKPQM-VMPITWQZSA-N 0 0 440.521 3.561 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(SCc3cc(=O)n4ccsc4n3)c2c1C ZINC000003420972 569450414 /nfs/dbraw/zinc/45/04/14/569450414.db2.gz GEZYDSFAKOSTLQ-UHFFFAOYSA-N 0 0 432.552 3.847 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)n1 ZINC000003445459 569451415 /nfs/dbraw/zinc/45/14/15/569451415.db2.gz ISOPKRJDNBYMMP-UHFFFAOYSA-N 0 0 449.496 3.831 50 0 IHAARN COc1cc2nc(SCC(=O)NC(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000003455298 569451801 /nfs/dbraw/zinc/45/18/01/569451801.db2.gz ATHJIZKTVYDQRA-UHFFFAOYSA-N 0 0 445.585 3.921 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1 ZINC000003469610 569452058 /nfs/dbraw/zinc/45/20/58/569452058.db2.gz GCDVUCBWDDTBAT-UHFFFAOYSA-N 0 0 449.507 3.942 50 0 IHAARN C[C@]1(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CCS(=O)(=O)C1 ZINC000030998134 569452175 /nfs/dbraw/zinc/45/21/75/569452175.db2.gz YSHKIWSLJQTZAX-FQEVSTJZSA-N 0 0 432.592 3.775 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2-c2ccccc2C(C)C)cc1 ZINC000003484204 569452400 /nfs/dbraw/zinc/45/24/00/569452400.db2.gz QDAASOUFFDLHKC-CQSZACIVSA-N 0 0 439.541 3.742 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003491717 569452551 /nfs/dbraw/zinc/45/25/51/569452551.db2.gz HTXJGXWYXQJJEI-UHFFFAOYSA-N 0 0 437.569 3.553 50 0 IHAARN CN(Cc1cccnc1)C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000058310495 569452776 /nfs/dbraw/zinc/45/27/76/569452776.db2.gz INUWSCFBQDIDQJ-QGZVFWFLSA-N 0 0 427.492 3.724 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000003500795 569452806 /nfs/dbraw/zinc/45/28/06/569452806.db2.gz YWFPBDREUVNOAD-UHFFFAOYSA-N 0 0 438.538 3.834 50 0 IHAARN CC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000003517819 569453114 /nfs/dbraw/zinc/45/31/14/569453114.db2.gz ZRXPFYGLMUEPKI-UHFFFAOYSA-N 0 0 435.501 3.855 50 0 IHAARN CCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c2cccs2)cc1 ZINC000031260901 569455269 /nfs/dbraw/zinc/45/52/69/569455269.db2.gz HJBQBPKLQXFDFS-QHCPKHFHSA-N 0 0 446.580 3.870 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)cc2)c3=O)cc1 ZINC000003632344 569455411 /nfs/dbraw/zinc/45/54/11/569455411.db2.gz QWOYMSPBVLAIOS-UHFFFAOYSA-N 0 0 433.489 3.944 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031398898 569456300 /nfs/dbraw/zinc/45/63/00/569456300.db2.gz TVTDHPIUROUMIU-UHFFFAOYSA-N 0 0 428.485 3.712 50 0 IHAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000031557532 569456700 /nfs/dbraw/zinc/45/67/00/569456700.db2.gz NNENVFRIPHWATQ-INIZCTEOSA-N 0 0 429.826 3.671 50 0 IHAARN COc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1Cl ZINC000031747042 569457181 /nfs/dbraw/zinc/45/71/81/569457181.db2.gz DFYPQDPQSAZDTE-UHFFFAOYSA-N 0 0 440.974 3.893 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000031808106 569457554 /nfs/dbraw/zinc/45/75/54/569457554.db2.gz OXDJFLLMKIHOAP-HNNXBMFYSA-N 0 0 446.323 3.929 50 0 IHAARN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000004065756 569458605 /nfs/dbraw/zinc/45/86/05/569458605.db2.gz OAVZHJPJKVQRTE-DYZYQPBXSA-N 0 0 439.306 3.785 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 ZINC000032073336 569459308 /nfs/dbraw/zinc/45/93/08/569459308.db2.gz GQKVHKUHSQUQSL-IBGZPJMESA-N 0 0 448.479 3.566 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@@H]3CCCO3)nn1-c1ccccc1F)C2 ZINC000032074711 569459325 /nfs/dbraw/zinc/45/93/25/569459325.db2.gz UJFYNFICZBZACL-HNNXBMFYSA-N 0 0 437.471 3.509 50 0 IHAARN Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)c2ccccc21 ZINC000032095186 569459821 /nfs/dbraw/zinc/45/98/21/569459821.db2.gz NMYAKUZIBSXSMB-UHFFFAOYSA-N 0 0 426.314 3.539 50 0 IHAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032096240 569459903 /nfs/dbraw/zinc/45/99/03/569459903.db2.gz BXSBEHCOMHCPIQ-NRFANRHFSA-N 0 0 431.895 3.783 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccc4c(c3)OCO4)CCCC2)c1 ZINC000032410561 569461565 /nfs/dbraw/zinc/46/15/65/569461565.db2.gz AHHVSUBQDDXRKE-UHFFFAOYSA-N 0 0 429.538 3.777 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1OC ZINC000032441776 569461715 /nfs/dbraw/zinc/46/17/15/569461715.db2.gz QQTYCYWQPICUBW-UHFFFAOYSA-N 0 0 427.522 3.899 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c(=O)oc2c1 ZINC000032491519 569461866 /nfs/dbraw/zinc/46/18/66/569461866.db2.gz ZFIYNLFFCGMADQ-UHFFFAOYSA-N 0 0 449.912 3.738 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 ZINC000032522844 569461954 /nfs/dbraw/zinc/46/19/54/569461954.db2.gz CUDXWUZCONEGLI-UHFFFAOYSA-N 0 0 430.574 3.825 50 0 IHAARN CCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C ZINC000004309901 569461962 /nfs/dbraw/zinc/46/19/62/569461962.db2.gz GMWHGPICDUMMGM-OAQYLSRUSA-N 0 0 425.529 3.618 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(OC)c(F)c1 ZINC000008214318 569462480 /nfs/dbraw/zinc/46/24/80/569462480.db2.gz JDRVYKZTJGFLQJ-UHFFFAOYSA-N 0 0 427.520 3.967 50 0 IHAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4CC(C)C)n(C)c(=O)n(C)c3=O)cc1 ZINC000008235442 569462500 /nfs/dbraw/zinc/46/25/00/569462500.db2.gz QKROLLOPKQQITK-QGZVFWFLSA-N 0 0 425.529 3.567 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NC[C@H]2CCCO2)nnc3C(C)C)cc1 ZINC000038488223 569462983 /nfs/dbraw/zinc/46/29/83/569462983.db2.gz MAZGHBHMJDJPRP-QGZVFWFLSA-N 0 0 425.558 3.635 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000038518426 569463126 /nfs/dbraw/zinc/46/31/26/569463126.db2.gz LZKZYUZKAJLNLA-OAHLLOKOSA-N 0 0 440.887 3.742 50 0 IHAARN COc1cc(OC)c(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1Cl ZINC000008416939 569464107 /nfs/dbraw/zinc/46/41/07/569464107.db2.gz XIVPPVIWLDYLBD-UHFFFAOYSA-N 0 0 443.916 3.918 50 0 IHAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000067198656 569464444 /nfs/dbraw/zinc/46/44/44/569464444.db2.gz OPTWYZIAEMBFHN-UHFFFAOYSA-N 0 0 442.313 3.937 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O ZINC000067226213 569465268 /nfs/dbraw/zinc/46/52/68/569465268.db2.gz ACZCXKUKTXYFPD-CQSZACIVSA-N 0 0 425.558 3.599 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O ZINC000067235564 569465405 /nfs/dbraw/zinc/46/54/05/569465405.db2.gz LXEVNXRJDPPRJH-UHFFFAOYSA-N 0 0 430.508 3.920 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236578 569465454 /nfs/dbraw/zinc/46/54/54/569465454.db2.gz IPTFUSJUOUTZRO-UHFFFAOYSA-N 0 0 434.521 3.894 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1OC ZINC000067238110 569465588 /nfs/dbraw/zinc/46/55/88/569465588.db2.gz UXNCDGIVUKPVBH-UHFFFAOYSA-N 0 0 444.557 3.827 50 0 IHAARN CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(C)C)cc3)no2)c1=O ZINC000038652601 569465727 /nfs/dbraw/zinc/46/57/27/569465727.db2.gz VUSASMPHRGIHRS-UHFFFAOYSA-N 0 0 434.496 3.849 50 0 IHAARN CC[C@@H]1CCCCN1c1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)ncn1 ZINC000067255770 569466038 /nfs/dbraw/zinc/46/60/38/569466038.db2.gz CSEFYLHAJXIMIW-GOSISDBHSA-N 0 0 444.601 3.714 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O ZINC000067289486 569467459 /nfs/dbraw/zinc/46/74/59/569467459.db2.gz GHPUCRHSIMKOKZ-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN CCOCCCn1c(SCC(=O)N(C)c2cccc(C)c2)nc2ccccc2c1=O ZINC000067290899 569467627 /nfs/dbraw/zinc/46/76/27/569467627.db2.gz VSPMCTGTZGOXQV-UHFFFAOYSA-N 0 0 425.554 3.887 50 0 IHAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000067316971 569468439 /nfs/dbraw/zinc/46/84/39/569468439.db2.gz LFVLRNVJCCTZFS-UHFFFAOYSA-N 0 0 437.447 3.501 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCc2ccccc21 ZINC000067318498 569468474 /nfs/dbraw/zinc/46/84/74/569468474.db2.gz SBURMFZEVOIJLV-UHFFFAOYSA-N 0 0 449.470 3.703 50 0 IHAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000067317080 569468476 /nfs/dbraw/zinc/46/84/76/569468476.db2.gz DMSDNQOZLHDVJD-UHFFFAOYSA-N 0 0 438.340 3.789 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 ZINC000067323000 569468706 /nfs/dbraw/zinc/46/87/06/569468706.db2.gz VTVRJUQLAHJQOR-UHFFFAOYSA-N 0 0 446.294 3.987 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 ZINC000008707423 569470617 /nfs/dbraw/zinc/47/06/17/569470617.db2.gz RMMITGYKKLJSDN-KRWDZBQOSA-N 0 0 447.491 3.600 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008708456 569470666 /nfs/dbraw/zinc/47/06/66/569470666.db2.gz DAKGONIKNXCLMP-MRXNPFEDSA-N 0 0 428.432 3.932 50 0 IHAARN NC(=O)c1oc2ccccc2c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000008708932 569470764 /nfs/dbraw/zinc/47/07/64/569470764.db2.gz GYMIISAXHLTWBF-UHFFFAOYSA-N 0 0 438.443 3.542 50 0 IHAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008709490 569470808 /nfs/dbraw/zinc/47/08/08/569470808.db2.gz LSYNSLPOLFTQAU-ZDUSSCGKSA-N 0 0 426.523 3.581 50 0 IHAARN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1-c1cc(C)ccc1C ZINC000008709578 569470818 /nfs/dbraw/zinc/47/08/18/569470818.db2.gz ASUQGQAOIYIFEM-QGZVFWFLSA-N 0 0 447.568 3.743 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc4nc(C)cn34)n2)s1 ZINC000008709994 569470869 /nfs/dbraw/zinc/47/08/69/569470869.db2.gz RKHVBRKCOLDQOU-UHFFFAOYSA-N 0 0 431.568 3.707 50 0 IHAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000008710785 569470934 /nfs/dbraw/zinc/47/09/34/569470934.db2.gz OSDGZEDJEYZFBV-UHFFFAOYSA-N 0 0 434.525 3.809 50 0 IHAARN COc1cc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nnnn32)ccc1OCc1ccc(C)cc1 ZINC000008717605 569471085 /nfs/dbraw/zinc/47/10/85/569471085.db2.gz UBKLRCHURPEVAW-QFIPXVFZSA-N 0 0 449.511 3.810 50 0 IHAARN CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000008717800 569471167 /nfs/dbraw/zinc/47/11/67/569471167.db2.gz IXGURDVWMVEHMI-LJQANCHMSA-N 0 0 438.524 3.963 50 0 IHAARN Cc1cc(C)n(C[C@@H](O)CN(c2cccc3ccccc32)S(=O)(=O)c2ccccc2)n1 ZINC000008721957 569471763 /nfs/dbraw/zinc/47/17/63/569471763.db2.gz TXALKHFOCDFKLB-OAQYLSRUSA-N 0 0 435.549 3.910 50 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/nfs/dbraw/zinc/47/26/12/569472612.db2.gz HSONPRXCZZXMOQ-JDNHERCYSA-N 0 0 425.308 3.561 50 0 IHAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n2N)cc1 ZINC000008735297 569472680 /nfs/dbraw/zinc/47/26/80/569472680.db2.gz YCKGLNPMARSNSS-NSHDSACASA-N 0 0 435.912 3.969 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(Cl)s1 ZINC000008749825 569473292 /nfs/dbraw/zinc/47/32/92/569473292.db2.gz LQQMZQOIXFPXGV-AWEZNQCLSA-N 0 0 442.006 3.645 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000008750245 569473368 /nfs/dbraw/zinc/47/33/68/569473368.db2.gz XPKHABRCSNCVQX-UHFFFAOYSA-N 0 0 442.541 3.648 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000008751223 569473440 /nfs/dbraw/zinc/47/34/40/569473440.db2.gz DURSWYPXVHSYCM-IBGZPJMESA-N 0 0 441.509 3.940 50 0 IHAARN COc1ccc(C(=O)NCCc2cccs2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000008752141 569473546 /nfs/dbraw/zinc/47/35/46/569473546.db2.gz CSYLPHFXADEZMM-UHFFFAOYSA-N 0 0 444.578 3.550 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)c1ccc(Br)cc1 ZINC000008752681 569473562 /nfs/dbraw/zinc/47/35/62/569473562.db2.gz ZXLFJFZEZZQKGB-CYBMUJFWSA-N 0 0 447.354 3.905 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2NC1=O ZINC000008753940 569473809 /nfs/dbraw/zinc/47/38/09/569473809.db2.gz LNLHQHSXAHFEBW-CQSZACIVSA-N 0 0 449.536 3.654 50 0 IHAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008754761 569473852 /nfs/dbraw/zinc/47/38/52/569473852.db2.gz UEPJDQBITSETLV-UHFFFAOYSA-N 0 0 436.961 3.738 50 0 IHAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000008756565 569474079 /nfs/dbraw/zinc/47/40/79/569474079.db2.gz WOKCATPKLCHPTC-UHFFFAOYSA-N 0 0 441.487 3.939 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cccc2ccccc21 ZINC000008771001 569475190 /nfs/dbraw/zinc/47/51/90/569475190.db2.gz BMUNLFIZXPIRBM-MYYSRTQBSA-N 0 0 433.533 3.862 50 0 IHAARN O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000008779063 569475531 /nfs/dbraw/zinc/47/55/31/569475531.db2.gz ISEAVOAVVCFVLX-INIZCTEOSA-N 0 0 432.517 3.692 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008789031 569475872 /nfs/dbraw/zinc/47/58/72/569475872.db2.gz OTNAVSJAMNLXPF-BSXCMTNWSA-N 0 0 432.557 3.744 50 0 biogenic IHAARN Cc1c(O[C@@H](C)C(=O)NCCCn2ccnc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008791853 569476343 /nfs/dbraw/zinc/47/63/43/569476343.db2.gz ARKLPJSRNDBHEO-SFHVURJKSA-N 0 0 431.492 3.939 50 0 biogenic IHAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCCC1=CCCCC1 ZINC000008825366 569477327 /nfs/dbraw/zinc/47/73/27/569477327.db2.gz JGUMFIAYWWUHAR-UHFFFAOYSA-N 0 0 432.948 3.742 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)c1C ZINC000008826330 569477580 /nfs/dbraw/zinc/47/75/80/569477580.db2.gz LJFPSEZISBFCNN-JOCHJYFZSA-N 0 0 429.511 3.685 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 ZINC000008840874 569478449 /nfs/dbraw/zinc/47/84/49/569478449.db2.gz HKICXAWUGWHRRU-UHFFFAOYSA-N 0 0 429.542 3.689 50 0 IHAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)o2)c1 ZINC000008844589 569478646 /nfs/dbraw/zinc/47/86/46/569478646.db2.gz VFQNFQMXLLTMEZ-UHFFFAOYSA-N 0 0 431.945 3.888 50 0 IHAARN Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)N(CCO)C3=O)c(O)c1 ZINC000008845131 569478687 /nfs/dbraw/zinc/47/86/87/569478687.db2.gz MEOXIEMCXLZSMT-HXUWFJFHSA-N 0 0 442.313 3.699 50 0 IHAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1 ZINC000008846149 569479000 /nfs/dbraw/zinc/47/90/00/569479000.db2.gz RQQVKDJZGVKGBE-UHFFFAOYSA-N 0 0 430.917 3.556 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(Cc2cccs2)n1C ZINC000008849920 569479301 /nfs/dbraw/zinc/47/93/01/569479301.db2.gz NBPCNHCYTWXHJP-UHFFFAOYSA-N 0 0 429.596 3.828 50 0 IHAARN COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000008862538 569480204 /nfs/dbraw/zinc/48/02/04/569480204.db2.gz FULDPPYAEMMDDH-UHFFFAOYSA-N 0 0 431.558 3.875 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000008862461 569480232 /nfs/dbraw/zinc/48/02/32/569480232.db2.gz XUDVLGLEWWWHPG-GFCCVEGCSA-N 0 0 429.527 3.599 50 0 IHAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc(OC)c1OC ZINC000008869925 569480501 /nfs/dbraw/zinc/48/05/01/569480501.db2.gz FQNXTTHMONTCPJ-LJQANCHMSA-N 0 0 449.931 3.952 50 0 IHAARN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)sc2nc(-c3ccccc3)cn12 ZINC000008871776 569480846 /nfs/dbraw/zinc/48/08/46/569480846.db2.gz GDOPFNHYZUYPBT-UHFFFAOYSA-N 0 0 440.550 3.874 50 0 IHAARN COc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)c[nH]1)oc1ccccc12 ZINC000039994067 569482379 /nfs/dbraw/zinc/48/23/79/569482379.db2.gz CMPSQGBBRAQEGG-UHFFFAOYSA-N 0 0 439.493 3.960 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040005353 569482444 /nfs/dbraw/zinc/48/24/44/569482444.db2.gz NGANSOGNBRQJHC-ZDUSSCGKSA-N 0 0 445.463 3.711 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C ZINC000040012276 569482504 /nfs/dbraw/zinc/48/25/04/569482504.db2.gz FXIRJFMYJZEUBC-UHFFFAOYSA-N 0 0 446.447 3.923 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N(C)Cc3cccc(OC)c3OC)c(=O)oc2c1 ZINC000040013770 569482580 /nfs/dbraw/zinc/48/25/80/569482580.db2.gz CVGQMHFJPAFXRR-UHFFFAOYSA-N 0 0 425.481 3.718 50 0 IHAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000008884649 569483137 /nfs/dbraw/zinc/48/31/37/569483137.db2.gz UEOJQADMRODAIN-QGZVFWFLSA-N 0 0 441.549 3.778 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@@](=O)C3)c(C)c1 ZINC000008884969 569483234 /nfs/dbraw/zinc/48/32/34/569483234.db2.gz OUMBPBLUZYKFSC-LJAQVGFWSA-N 0 0 429.929 3.922 50 0 IHAARN CC(C)(C)c1cc(NC(=O)COc2cccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000040039737 569483323 /nfs/dbraw/zinc/48/33/23/569483323.db2.gz OHHKFIQLGCYRPA-QGZVFWFLSA-N 0 0 441.553 3.711 50 0 IHAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000040040447 569483454 /nfs/dbraw/zinc/48/34/54/569483454.db2.gz QATATKLZXVGRHH-QGZVFWFLSA-N 0 0 426.480 3.748 50 0 IHAARN Cc1ccc(-n2nnc3c2ncn(Cc2ccc(Br)cc2)c3=O)cc1Cl ZINC000008903813 569484481 /nfs/dbraw/zinc/48/44/81/569484481.db2.gz TYZMHSNZDBVDMP-UHFFFAOYSA-N 0 0 430.693 3.750 50 0 IHAARN CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000040058797 569484650 /nfs/dbraw/zinc/48/46/50/569484650.db2.gz VKIRPIGATCIZFM-UWJYYQICSA-N 0 0 428.554 3.885 50 0 IHAARN Cc1n[nH]c(C)c1Cc1cc(C(=O)NCc2ccc(F)cc2)sc1N1CCOCC1 ZINC000008912118 569484937 /nfs/dbraw/zinc/48/49/37/569484937.db2.gz WSXBJOZGELKQGT-UHFFFAOYSA-N 0 0 428.533 3.585 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)c(Cl)c3)cc2s1 ZINC000008912562 569485049 /nfs/dbraw/zinc/48/50/49/569485049.db2.gz FHTJCXWYDOXKQU-UHFFFAOYSA-N 0 0 427.910 3.656 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1Cl ZINC000008912621 569485058 /nfs/dbraw/zinc/48/50/58/569485058.db2.gz BHQJEKGQLYIQAR-CYBMUJFWSA-N 0 0 447.948 3.855 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008915161 569485476 /nfs/dbraw/zinc/48/54/76/569485476.db2.gz ZYPKZLNSPKRHGS-KRWDZBQOSA-N 0 0 445.924 3.584 50 0 IHAARN COCCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)sc2c1CCCC2 ZINC000008915172 569485521 /nfs/dbraw/zinc/48/55/21/569485521.db2.gz ZLOJTRDCWDNKCT-UHFFFAOYSA-N 0 0 440.521 3.670 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008916491 569485812 /nfs/dbraw/zinc/48/58/12/569485812.db2.gz SWVIPWUAHLAHIC-QAPCUYQASA-N 0 0 439.936 3.771 50 0 IHAARN Cc1cc2nc(Sc3nnc([C@H]4COc5ccccc5O4)n3C)c3ccccc3n2n1 ZINC000040071553 569485813 /nfs/dbraw/zinc/48/58/13/569485813.db2.gz GJTXDHRRLSKURH-GOSISDBHSA-N 0 0 430.493 3.983 50 0 IHAARN COc1ccc(NC(=O)c2nnc(COC(=O)c3csc(-c4ccco4)n3)s2)cc1 ZINC000040071866 569485880 /nfs/dbraw/zinc/48/58/80/569485880.db2.gz FEDBUIAQRKLWLS-UHFFFAOYSA-N 0 0 442.478 3.873 50 0 IHAARN CCCNC(=O)c1ccc(N2C(=O)N3CCc4c5cc(OC)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008918348 569486272 /nfs/dbraw/zinc/48/62/72/569486272.db2.gz HEUZOYWLBUKUAD-VWLOTQADSA-N 0 0 446.507 3.556 50 0 biogenic IHAARN COc1cc(CNC(=O)c2c(Br)c3ccccc3n2C)cc(OC)c1OC ZINC000040090027 569487400 /nfs/dbraw/zinc/48/74/00/569487400.db2.gz AASOUEVDKUBWBF-UHFFFAOYSA-N 0 0 433.302 3.897 50 0 IHAARN Cc1ccccc1NC(=O)CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O ZINC000008931817 569487617 /nfs/dbraw/zinc/48/76/17/569487617.db2.gz IPCKAJLCFFXVTK-QFIPXVFZSA-N 0 0 434.517 3.885 50 0 IHAARN CSc1cccc(NC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000008931777 569487629 /nfs/dbraw/zinc/48/76/29/569487629.db2.gz PYSFCQGRNAGABP-UHFFFAOYSA-N 0 0 436.537 3.812 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000040105390 569488220 /nfs/dbraw/zinc/48/82/20/569488220.db2.gz GCKODEAXVLCDLV-UHFFFAOYSA-N 0 0 429.540 3.650 50 0 IHAARN CC[C@H](c1nnc(SCc2cc(=O)n3ccc(C)cc3n2)n1Cc1ccccc1)N(C)C ZINC000008941595 569488626 /nfs/dbraw/zinc/48/86/26/569488626.db2.gz AWIPDFMBYMLZJF-HXUWFJFHSA-N 0 0 448.596 3.948 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3ccccc3c2)c(N2CCCC2)n1 ZINC000008946659 569489144 /nfs/dbraw/zinc/48/91/44/569489144.db2.gz FXRFCWDVSRSABK-UHFFFAOYSA-N 0 0 432.553 3.732 50 0 IHAARN COc1ccc(Cc2nn(CN3CCC[C@H]3c3nnc4n3CCCCC4)c(=S)o2)cc1 ZINC000040118707 569489381 /nfs/dbraw/zinc/48/93/81/569489381.db2.gz NJJSRAAMZPSVJR-SFHVURJKSA-N 0 0 440.573 3.917 50 0 IHAARN COc1cc(CNC(=O)CCN2c3ccccc3O[C@H](C)C2=O)ccc1OC1CCCC1 ZINC000040121347 569489542 /nfs/dbraw/zinc/48/95/42/569489542.db2.gz YCJCGWKTXOTVNJ-QGZVFWFLSA-N 0 0 438.524 3.837 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccc(C)cc3)C(C)(C)S[C@@H]21 ZINC000008952661 569490016 /nfs/dbraw/zinc/49/00/16/569490016.db2.gz SJPNLIGUORLXEH-KNQAVFIVSA-N 0 0 426.538 3.677 50 0 biogenic IHAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000008952638 569490022 /nfs/dbraw/zinc/49/00/22/569490022.db2.gz XIGLTUDNIPUDGN-NCNFXNTHSA-N 0 0 426.538 3.930 50 0 biogenic IHAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c3nc(C)sc32)cc1 ZINC000008955362 569490143 /nfs/dbraw/zinc/49/01/43/569490143.db2.gz KSIGDBOHJOMRTR-UHFFFAOYSA-N 0 0 442.447 3.754 50 0 IHAARN Cc1nc2scc(-c3cccs3)c2c(NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000040135290 569490650 /nfs/dbraw/zinc/49/06/50/569490650.db2.gz LUODQEANCNNRJE-UHFFFAOYSA-N 0 0 426.571 3.925 50 0 IHAARN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](C(N)=O)CC[C@@H]3C)n2)CCC4)CC1 ZINC000040135312 569490669 /nfs/dbraw/zinc/49/06/69/569490669.db2.gz RDOMOYQTZHFDBA-JKSUJKDBSA-N 0 0 427.618 3.502 50 0 IHAARN CC1=NN(c2ccc(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)cc2)CC1 ZINC000040142365 569491810 /nfs/dbraw/zinc/49/18/10/569491810.db2.gz KAUATIRDMNTPKR-UHFFFAOYSA-N 0 0 436.531 3.623 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 ZINC000040144053 569491925 /nfs/dbraw/zinc/49/19/25/569491925.db2.gz CLZJJFKAXQTWHG-FQEVSTJZSA-N 0 0 425.598 3.708 50 0 IHAARN O=C(NCc1nnc2ccccn21)c1ccc(COc2ccc(Br)cc2)o1 ZINC000040143897 569491962 /nfs/dbraw/zinc/49/19/62/569491962.db2.gz QZHLFDDAYVXXHZ-UHFFFAOYSA-N 0 0 427.258 3.594 50 0 IHAARN COc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008971257 569492734 /nfs/dbraw/zinc/49/27/34/569492734.db2.gz YGJXOHQKXGDKKT-QHCPKHFHSA-N 0 0 445.519 3.569 50 0 IHAARN Cc1nn2c(nc(N3CCC[C@@H](C(=O)Nc4nncs4)C3)c3ccccc32)c1Cl ZINC000040151408 569493312 /nfs/dbraw/zinc/49/33/12/569493312.db2.gz ZFAZRLJADJVSLF-GFCCVEGCSA-N 0 0 427.921 3.551 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSCc2ccncc2)c1 ZINC000040152569 569493481 /nfs/dbraw/zinc/49/34/81/569493481.db2.gz SUTSIKOPMVITPK-UHFFFAOYSA-N 0 0 427.551 3.779 50 0 IHAARN O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040154719 569493805 /nfs/dbraw/zinc/49/38/05/569493805.db2.gz OXHCSCDXYMPQLT-QFIPXVFZSA-N 0 0 429.948 3.579 50 0 IHAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000008985171 569494777 /nfs/dbraw/zinc/49/47/77/569494777.db2.gz QLLGHOQSOKIJMQ-LLVKDONJSA-N 0 0 445.342 3.996 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCc1cccnc1 ZINC000008992046 569495330 /nfs/dbraw/zinc/49/53/30/569495330.db2.gz XEKLFWVQOBDNKG-UHFFFAOYSA-N 0 0 432.311 3.505 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008995534 569495612 /nfs/dbraw/zinc/49/56/12/569495612.db2.gz JFEAFFONOQIWPJ-VWLOTQADSA-N 0 0 433.435 3.604 50 0 IHAARN O=C(Cn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCCC1 ZINC000009002100 569496085 /nfs/dbraw/zinc/49/60/85/569496085.db2.gz WRDZPYCQFGLHQD-OAQYLSRUSA-N 0 0 430.552 3.607 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000009011230 569496502 /nfs/dbraw/zinc/49/65/02/569496502.db2.gz AAUDELCLIATAHQ-OAHLLOKOSA-N 0 0 432.432 3.568 50 0 IHAARN O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 ZINC000245026559 569496978 /nfs/dbraw/zinc/49/69/78/569496978.db2.gz NAFXRRLGWBKTFQ-UHFFFAOYSA-N 0 0 439.888 3.621 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc1n2CCN(CC(C)C)C1 ZINC000040267233 569497380 /nfs/dbraw/zinc/49/73/80/569497380.db2.gz 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CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1 ZINC000245228361 569499735 /nfs/dbraw/zinc/49/97/35/569499735.db2.gz SMPDSUJLCHAFTL-PSGMQZRDSA-N 0 0 436.350 3.517 50 0 IHAARN O=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)cs1)c1ccc(Cl)cc1Cl ZINC000040355774 569499824 /nfs/dbraw/zinc/49/98/24/569499824.db2.gz DCZIBTCSDIAIDF-UHFFFAOYSA-N 0 0 442.324 3.681 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245239990 569500638 /nfs/dbraw/zinc/50/06/38/569500638.db2.gz NTSFFQMVOFRTAF-QZTZHPFYSA-N 0 0 429.561 3.959 50 0 IHAARN COc1cc(C=CC(=O)NC(=S)N2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC ZINC000009108802 569501909 /nfs/dbraw/zinc/50/19/09/569501909.db2.gz SFPOCKXWIAAXEK-QZEKMECESA-N 0 0 441.553 3.749 50 0 IHAARN CCCCN(CCCC)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450195 569506295 /nfs/dbraw/zinc/50/62/95/569506295.db2.gz GQFHASROLRHERI-UHFFFAOYSA-N 0 0 431.396 3.949 50 0 IHAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NC3CC3)[C@H]2C1 ZINC000245280769 569502115 /nfs/dbraw/zinc/50/21/15/569502115.db2.gz SMWNNDMTVRZQQC-GHTZIAJQSA-N 0 0 445.485 3.860 50 0 IHAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009111164 569502267 /nfs/dbraw/zinc/50/22/67/569502267.db2.gz VXCLYNXHHVLCPH-POTDNYQPSA-N 0 0 448.522 3.997 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)SCCO1 ZINC000009115147 569502724 /nfs/dbraw/zinc/50/27/24/569502724.db2.gz DBRHZKHEZALBTL-AWEZNQCLSA-N 0 0 440.521 3.882 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)c(OC)c1 ZINC000009115488 569502728 /nfs/dbraw/zinc/50/27/28/569502728.db2.gz BIYHUYDLDOXNSS-SSEXGKCCSA-N 0 0 427.522 3.886 50 0 IHAARN COc1ccc([S@](=O)Cc2ccc(C(=O)NCCc3ccc(OC)cc3OC)o2)cc1 ZINC000009115739 569502786 /nfs/dbraw/zinc/50/27/86/569502786.db2.gz OSVGHZKXUCANKC-HKBQPEDESA-N 0 0 443.521 3.586 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O)Nc1cccc(Cl)c1 ZINC000009116513 569502996 /nfs/dbraw/zinc/50/29/96/569502996.db2.gz NENSRLUPIBQAEC-UHFFFAOYSA-N 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ZINC000009127269 569505137 /nfs/dbraw/zinc/50/51/37/569505137.db2.gz DVEAFURJRXHGFP-UHFFFAOYSA-N 0 0 429.864 3.615 50 0 IHAARN CCOC(=O)C1C(C)=NC(=O)N(CC(=O)Nc2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000009127586 569505228 /nfs/dbraw/zinc/50/52/28/569505228.db2.gz NVSASCFNIQMLMM-HXUWFJFHSA-N 0 0 429.423 3.507 50 0 IHAARN CC(C)Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccccc1F ZINC000009128660 569505468 /nfs/dbraw/zinc/50/54/68/569505468.db2.gz URUXZOLRGFUCQM-UHFFFAOYSA-N 0 0 440.504 3.641 50 0 IHAARN Cc1ccc(-c2nc(COC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cs2)cc1 ZINC000009128833 569505517 /nfs/dbraw/zinc/50/55/17/569505517.db2.gz DXFPEHKCVHHANW-UHFFFAOYSA-N 0 0 430.551 3.791 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)cc21 ZINC000040450318 569506264 /nfs/dbraw/zinc/50/62/64/569506264.db2.gz KXKYUQBDPZRHGN-DOMZBBRYSA-N 0 0 429.380 3.605 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)Nc3ccccc3F)c(Br)cc2C[C@H]1C ZINC000040450608 569506389 /nfs/dbraw/zinc/50/63/89/569506389.db2.gz UGBBKYFINRXBSI-SNVBAGLBSA-N 0 0 427.295 3.687 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc3nc(C)sc3c2)cc1 ZINC000069450251 569506522 /nfs/dbraw/zinc/50/65/22/569506522.db2.gz YVTZRNYLZBHCCS-UHFFFAOYSA-N 0 0 432.571 3.686 50 0 IHAARN O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000009131526 569506955 /nfs/dbraw/zinc/50/69/55/569506955.db2.gz YAHGMWGYLKHTLX-HNNXBMFYSA-N 0 0 439.468 3.609 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 ZINC000009132464 569506991 /nfs/dbraw/zinc/50/69/91/569506991.db2.gz MTZZCYVPNNTFHV-MRXNPFEDSA-N 0 0 435.505 3.779 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000009134462 569507047 /nfs/dbraw/zinc/50/70/47/569507047.db2.gz PTLSESFKQIJZQU-QGZVFWFLSA-N 0 0 445.972 3.581 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)c3ccc(OC(C)=O)c(C)c3oc2=O)cc1OC ZINC000009134711 569507091 /nfs/dbraw/zinc/50/70/91/569507091.db2.gz OIPGVVGVOODKME-UHFFFAOYSA-N 0 0 439.464 3.924 50 0 IHAARN CC[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1ccc(F)cc1 ZINC000009152087 569507756 /nfs/dbraw/zinc/50/77/56/569507756.db2.gz XEAGQJMZMMLERL-INIZCTEOSA-N 0 0 446.529 3.540 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)nc2N)cc1 ZINC000009152146 569507763 /nfs/dbraw/zinc/50/77/63/569507763.db2.gz KTLVFYHWKKOIHO-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN CCc1cccc(C)c1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152699 569507809 /nfs/dbraw/zinc/50/78/09/569507809.db2.gz PJEISMBGUJNSQZ-CQSZACIVSA-N 0 0 432.567 3.793 50 0 IHAARN C[C@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152760 569507873 /nfs/dbraw/zinc/50/78/73/569507873.db2.gz QTAKMUNPCSHZAK-NEPJUHHUSA-N 0 0 438.958 3.964 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)c1 ZINC000009152831 569507885 /nfs/dbraw/zinc/50/78/85/569507885.db2.gz RFLVUUHVMNTXET-CABCVRRESA-N 0 0 432.567 3.927 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152761 569507889 /nfs/dbraw/zinc/50/78/89/569507889.db2.gz UVUZLGXHTHDIBX-NWDGAFQWSA-N 0 0 438.958 3.964 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1F ZINC000009152875 569507951 /nfs/dbraw/zinc/50/79/51/569507951.db2.gz UZFMLFMPCLMHMX-OLZOCXBDSA-N 0 0 436.530 3.758 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000009155002 569508254 /nfs/dbraw/zinc/50/82/54/569508254.db2.gz PPOSTNABCCWCFO-UHFFFAOYSA-N 0 0 426.523 3.599 50 0 IHAARN CCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000009156097 569508347 /nfs/dbraw/zinc/50/83/47/569508347.db2.gz YEONYWPZOGSBTC-UHFFFAOYSA-N 0 0 439.537 3.913 50 0 IHAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009157448 569508387 /nfs/dbraw/zinc/50/83/87/569508387.db2.gz AIUWNVASBYKBNO-INIZCTEOSA-N 0 0 449.548 3.838 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 ZINC000009159745 569508656 /nfs/dbraw/zinc/50/86/56/569508656.db2.gz KCWWJCGIVTXAJS-DFCKQENNSA-N 0 0 438.568 3.688 50 0 IHAARN Cc1csc(N(C(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)c2ccccc2)n1 ZINC000009167600 569509025 /nfs/dbraw/zinc/50/90/25/569509025.db2.gz FRUDVFHIAIQPMW-IBGZPJMESA-N 0 0 427.551 3.503 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170176 569509265 /nfs/dbraw/zinc/50/92/65/569509265.db2.gz YECWHGNJMZENAZ-UHFFFAOYSA-N 0 0 445.541 3.607 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1Cl ZINC000009191322 569510670 /nfs/dbraw/zinc/51/06/70/569510670.db2.gz LZLGQTSXLLRFJJ-UHFFFAOYSA-N 0 0 440.949 3.581 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009198017 569511058 /nfs/dbraw/zinc/51/10/58/569511058.db2.gz MCOHGZINXYJGQD-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000009204441 569511295 /nfs/dbraw/zinc/51/12/95/569511295.db2.gz 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IHAARN COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009646071 569556173 /nfs/dbraw/zinc/55/61/73/569556173.db2.gz KJYSUCAACKQOCE-UHFFFAOYSA-N 0 0 439.537 3.913 50 0 IHAARN Cc1cccc(N2CCN(C(=O)COc3ccccc3C(=O)Nc3ccccc3)CC2)c1 ZINC000009655193 569556575 /nfs/dbraw/zinc/55/65/75/569556575.db2.gz SXYSRQLEGVEGLI-UHFFFAOYSA-N 0 0 429.520 3.975 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)c1 ZINC000009659221 569556609 /nfs/dbraw/zinc/55/66/09/569556609.db2.gz GVBYZZQRBKFQES-CQSZACIVSA-N 0 0 437.521 3.933 50 0 IHAARN COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000009660628 569556856 /nfs/dbraw/zinc/55/68/56/569556856.db2.gz CUUNRBKHEHSMCR-UHFFFAOYSA-N 0 0 442.302 3.970 50 0 IHAARN O=C(Nc1cccc(F)c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663616 569557235 /nfs/dbraw/zinc/55/72/35/569557235.db2.gz VPGZFNXCQNDSRF-IBGZPJMESA-N 0 0 432.455 3.709 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1 ZINC000009664275 569557396 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3.546 50 0 IHAARN Cc1cccc(-n2ncc3c2nc(SCC(=O)N2c4ccccc4C[C@@H]2C)[nH]c3=O)c1 ZINC000009672088 569558761 /nfs/dbraw/zinc/55/87/61/569558761.db2.gz WHCMKGGRXKQLFF-HNNXBMFYSA-N 0 0 431.521 3.899 50 0 IHAARN CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)c1ccccc1 ZINC000009676803 569559498 /nfs/dbraw/zinc/55/94/98/569559498.db2.gz MHCDRVPULBXYTJ-UHFFFAOYSA-N 0 0 441.597 3.571 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)cc2C[C@H]1C ZINC000009677099 569559532 /nfs/dbraw/zinc/55/95/32/569559532.db2.gz DIHAOONOLDDKRY-OAHLLOKOSA-N 0 0 432.517 3.624 50 0 IHAARN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(C)cc2Br)c1C(=O)N1CCCC1 ZINC000009684182 569560510 /nfs/dbraw/zinc/56/05/10/569560510.db2.gz MXTXXRNNIKSKAL-UHFFFAOYSA-N 0 0 440.363 3.739 50 0 IHAARN Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2s1 ZINC000009683969 569560528 /nfs/dbraw/zinc/56/05/28/569560528.db2.gz AZVKJTGZFYRARQ-UHFFFAOYSA-N 0 0 433.530 3.783 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009689692 569560924 /nfs/dbraw/zinc/56/09/24/569560924.db2.gz UNBIFBDZLDRZAS-UHFFFAOYSA-N 0 0 449.532 3.544 50 0 IHAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000009699604 569561238 /nfs/dbraw/zinc/56/12/38/569561238.db2.gz VKQCVMGISGTFFX-JTQLQIEISA-N 0 0 431.297 3.515 50 0 IHAARN COc1cc(CS(=O)(=O)c2nc3ccccc3n2CCN2CCCCC2)cc(OC)c1 ZINC000009707445 569561536 /nfs/dbraw/zinc/56/15/36/569561536.db2.gz SUHFCGTZIOAWMI-UHFFFAOYSA-N 0 0 443.569 3.513 50 0 IHAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CCSc2ccc(Cl)cc2)o1 ZINC000009707623 569561630 /nfs/dbraw/zinc/56/16/30/569561630.db2.gz ARNQVIMCHKJHAM-UHFFFAOYSA-N 0 0 437.930 3.914 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1OC ZINC000009708242 569561834 /nfs/dbraw/zinc/56/18/34/569561834.db2.gz ZEHWZVFNEZCSRA-IBGZPJMESA-N 0 0 444.578 3.848 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009708264 569561871 /nfs/dbraw/zinc/56/18/71/569561871.db2.gz KVDIXZXBWHDJRE-IBGZPJMESA-N 0 0 442.562 3.602 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000009708301 569561878 /nfs/dbraw/zinc/56/18/78/569561878.db2.gz VBCPTBIIAJOHJT-LJQANCHMSA-N 0 0 427.476 3.885 50 0 IHAARN Cc1cc(C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c(C)n1C1CC1 ZINC000009711914 569562044 /nfs/dbraw/zinc/56/20/44/569562044.db2.gz FHCITSFEEVZFPO-UHFFFAOYSA-N 0 0 433.555 3.806 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000009711876 569562073 /nfs/dbraw/zinc/56/20/73/569562073.db2.gz CRNJLLCPMMHAAN-NRFANRHFSA-N 0 0 444.535 3.895 50 0 IHAARN C[C@@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000009716069 569563170 /nfs/dbraw/zinc/56/31/70/569563170.db2.gz ZQSRITBZNFFHFD-MRXNPFEDSA-N 0 0 440.455 3.622 50 0 IHAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@H]2CCCO2)c1 ZINC000009716331 569563233 /nfs/dbraw/zinc/56/32/33/569563233.db2.gz KGVMNIVOZKYTKF-MRXNPFEDSA-N 0 0 425.963 3.606 50 0 IHAARN CN(c1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000009723880 569563623 /nfs/dbraw/zinc/56/36/23/569563623.db2.gz GBDZYRHGIAVQRD-UHFFFAOYSA-N 0 0 442.566 3.516 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009724031 569563678 /nfs/dbraw/zinc/56/36/78/569563678.db2.gz ZUKCHWWPJBQDBC-UHFFFAOYSA-N 0 0 449.532 3.544 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009725103 569563784 /nfs/dbraw/zinc/56/37/84/569563784.db2.gz GQEBEKPQBJMSCD-FQEVSTJZSA-N 0 0 441.509 3.876 50 0 IHAARN O=C(CSc1ccc2ccccc2n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009729750 569564271 /nfs/dbraw/zinc/56/42/71/569564271.db2.gz WFVODDFZAZULSS-UHFFFAOYSA-N 0 0 427.551 3.750 50 0 IHAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 ZINC000009729724 569564295 /nfs/dbraw/zinc/56/42/95/569564295.db2.gz ZQJAWOJGLFRUIQ-OXJNMPFZSA-N 0 0 440.544 3.773 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-n1cccc1 ZINC000009737758 569564791 /nfs/dbraw/zinc/56/47/91/569564791.db2.gz GTLFXOKFYQRXBX-UHFFFAOYSA-N 0 0 447.520 3.966 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-n1cccc1 ZINC000009737761 569564818 /nfs/dbraw/zinc/56/48/18/569564818.db2.gz QGDMGCVMABMYRR-UHFFFAOYSA-N 0 0 433.493 3.575 50 0 IHAARN NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C1 ZINC000009739299 569565000 /nfs/dbraw/zinc/56/50/00/569565000.db2.gz VMXXJJMMYHGOGU-GFCCVEGCSA-N 0 0 432.596 3.683 50 0 IHAARN CN(CCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009740855 569565194 /nfs/dbraw/zinc/56/51/94/569565194.db2.gz PHAULFPVVOWPHQ-UHFFFAOYSA-N 0 0 436.533 3.589 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000009741661 569565309 /nfs/dbraw/zinc/56/53/09/569565309.db2.gz KCQXWKJGXIFTCY-SFHVURJKSA-N 0 0 441.983 3.895 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)c1 ZINC000009741716 569565313 /nfs/dbraw/zinc/56/53/13/569565313.db2.gz MPVXJSQXDFUZIX-FQEVSTJZSA-N 0 0 435.592 3.858 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 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3.938 50 0 IHAARN COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)cc(OC)c1OC ZINC000077197783 569586205 /nfs/dbraw/zinc/58/62/05/569586205.db2.gz KLROETLENNVQAX-KTRBRXNASA-N 0 0 441.406 3.534 50 0 IHAARN O=C(c1nnn(-c2ccccc2)c1-c1ccccn1)N1CCN(c2ccccc2Cl)CC1 ZINC000077199868 569586297 /nfs/dbraw/zinc/58/62/97/569586297.db2.gz AWHBSUVBLAVDAN-UHFFFAOYSA-N 0 0 444.926 3.945 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000077200267 569586385 /nfs/dbraw/zinc/58/63/85/569586385.db2.gz ODQAOTQSADTZOX-AEFFLSMTSA-N 0 0 434.514 3.542 50 0 IHAARN COc1ccc(CN(C)CC(=O)NCCc2cccc3cccnc32)cc1OC(F)F ZINC000078336332 569586609 /nfs/dbraw/zinc/58/66/09/569586609.db2.gz KGFSTOYZPWKTAD-UHFFFAOYSA-N 0 0 429.467 3.636 50 0 IHAARN Cn1nc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2NC3=NC2CCCC2)c2ccccc21 ZINC000106763137 569587045 /nfs/dbraw/zinc/58/70/45/569587045.db2.gz YKDBAEYASQXAQN-RUZDIDTESA-N 0 0 443.555 3.631 50 0 IHAARN COc1cccc(-c2nc(Cn3cnc4nc5c(cc4c3=O)C[C@H](C)CC5)c(C)o2)c1OC ZINC000033059749 569587327 /nfs/dbraw/zinc/58/73/27/569587327.db2.gz PUWFOTZZWYNRIO-CQSZACIVSA-N 0 0 446.507 3.945 50 0 IHAARN CCCc1[n-]n(-c2ccccc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CC(C)C)C1=O ZINC000035712724 569587799 /nfs/dbraw/zinc/58/77/99/569587799.db2.gz DIOGVWLEDQPVFT-UHFFFAOYSA-O 0 0 445.543 3.519 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC1CC1 ZINC000036118377 569587863 /nfs/dbraw/zinc/58/78/63/569587863.db2.gz JYBSUKZVBPUGPX-LJQANCHMSA-N 0 0 442.581 3.910 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)C ZINC000036117677 569587864 /nfs/dbraw/zinc/58/78/64/569587864.db2.gz NWSQPKSGZIYWJO-SFHVURJKSA-N 0 0 430.570 3.909 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123632 569587878 /nfs/dbraw/zinc/58/78/78/569587878.db2.gz RSCUFMNBPIYAJF-HXUWFJFHSA-N 0 0 445.560 3.976 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000006142106 193881872 /nfs/dbraw/zinc/88/18/72/193881872.db2.gz ALLMJLPXYLHGGR-WOJBJXKFSA-N 0 0 442.581 3.938 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc32)c1 ZINC000009831217 193898639 /nfs/dbraw/zinc/89/86/39/193898639.db2.gz PLPZGICRYUHEHO-SFHVURJKSA-N 0 0 427.551 3.749 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccccc1 ZINC000009856743 193909084 /nfs/dbraw/zinc/90/90/84/193909084.db2.gz VJRZEAXJFHTSBQ-UHFFFAOYSA-N 0 0 436.464 3.612 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000051357817 193925733 /nfs/dbraw/zinc/92/57/33/193925733.db2.gz FTKJFAWESXKQKH-UHFFFAOYSA-N 0 0 431.467 3.606 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000051357789 193925770 /nfs/dbraw/zinc/92/57/70/193925770.db2.gz VITSWQGXYHGGLH-UHFFFAOYSA-N 0 0 431.467 3.552 50 0 IHAARN O=C(CN1CCN(C(=S)NC2CCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000054254410 193929819 /nfs/dbraw/zinc/92/98/19/193929819.db2.gz QWZQCJLVBHCNJU-UHFFFAOYSA-N 0 0 438.597 3.852 50 0 IHAARN CC(C)[C@@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000223234143 193955721 /nfs/dbraw/zinc/95/57/21/193955721.db2.gz ANPPRFOQZKGNFW-JOCHJYFZSA-N 0 0 432.528 3.742 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3CO)C2=O)cc1 ZINC000013097182 132225372 /nfs/dbraw/zinc/22/53/72/132225372.db2.gz GMNGTAREKYHARM-PXLXIMEGSA-N 0 0 442.471 3.996 50 0 IHAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000009118460 132226751 /nfs/dbraw/zinc/22/67/51/132226751.db2.gz CNAOEXQQNLFZON-UHFFFAOYSA-N 0 0 426.605 3.730 50 0 IHAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000009493122 132232268 /nfs/dbraw/zinc/23/22/68/132232268.db2.gz GWQVCFKBVKYQNB-UHFFFAOYSA-N 0 0 430.504 3.771 50 0 IHAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)cc1 ZINC000009518964 132232715 /nfs/dbraw/zinc/23/27/15/132232715.db2.gz IHYMOLOMPSCXON-QPGLYAHGSA-N 0 0 441.535 3.706 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3cc(Cl)ccc3C)n(C)c2=O)c1 ZINC000009519190 132232971 /nfs/dbraw/zinc/23/29/71/132232971.db2.gz OEYNWADSJYPBLV-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)CC2)c1C ZINC000009415113 132234357 /nfs/dbraw/zinc/23/43/57/132234357.db2.gz UXKQGUUCDQVQIH-UHFFFAOYSA-N 0 0 448.596 3.733 50 0 IHAARN O[C@H](COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccn2)CC1 ZINC000000936191 132234719 /nfs/dbraw/zinc/23/47/19/132234719.db2.gz PCIFWRAMGLSJHN-FQEVSTJZSA-N 0 0 442.357 3.559 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cc(C)ccc1OC ZINC000009747915 132241238 /nfs/dbraw/zinc/24/12/38/132241238.db2.gz XWUCYIFFAPLKPQ-UHFFFAOYSA-N 0 0 430.570 3.556 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)CSCc2cc(C(C)=O)ccc2OC)CC1 ZINC000009950522 132242429 /nfs/dbraw/zinc/24/24/29/132242429.db2.gz GCXKRKMUCNQNSU-UHFFFAOYSA-N 0 0 442.581 3.879 50 0 IHAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)cc1 ZINC000010186642 132243166 /nfs/dbraw/zinc/24/31/66/132243166.db2.gz MCCSGMLMPKEAGX-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN O=C(COc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000010220777 132243768 /nfs/dbraw/zinc/24/37/68/132243768.db2.gz ZRNWHLWCSXXUSR-UHFFFAOYSA-N 0 0 428.535 3.907 50 0 IHAARN COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000010220736 132243826 /nfs/dbraw/zinc/24/38/26/132243826.db2.gz IIIDJHXECNBFNA-UHFFFAOYSA-N 0 0 449.532 3.605 50 0 IHAARN O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000002260235 132250421 /nfs/dbraw/zinc/25/04/21/132250421.db2.gz RIGDAINVCIEPLR-UHFFFAOYSA-N 0 0 438.531 3.802 50 0 IHAARN CCc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1 ZINC000002616427 132255239 /nfs/dbraw/zinc/25/52/39/132255239.db2.gz NXXKRHSCCUMBFS-UHFFFAOYSA-N 0 0 425.539 3.922 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)CC1 ZINC000002924261 132258877 /nfs/dbraw/zinc/25/88/77/132258877.db2.gz LLULMUBFSPEURP-AWEZNQCLSA-N 0 0 430.574 3.794 50 0 IHAARN Cc1cc(C)cc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1 ZINC000003017162 132260423 /nfs/dbraw/zinc/26/04/23/132260423.db2.gz DQKRYOYMIDEDFL-UHFFFAOYSA-N 0 0 438.553 3.706 50 0 aggregator IHAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)OCC(=O)N1CCCc2ccccc21 ZINC000003311909 132263758 /nfs/dbraw/zinc/26/37/58/132263758.db2.gz KXSVCSLIWDFFMC-UHFFFAOYSA-N 0 0 442.924 3.807 50 0 IHAARN C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003419669 132265243 /nfs/dbraw/zinc/26/52/43/132265243.db2.gz UMIDHOZNHQVROB-HNNXBMFYSA-N 0 0 435.446 3.823 50 0 IHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000003534478 132266001 /nfs/dbraw/zinc/26/60/01/132266001.db2.gz PASADOHTCICCQW-UHFFFAOYSA-N 0 0 444.520 3.672 50 0 IHAARN O=c1c2cc(NC(=S)N3CCN(c4ccccc4)CC3)ccc2nc2n1CCCCC2 ZINC000003645983 132266934 /nfs/dbraw/zinc/26/69/34/132266934.db2.gz SRKSRBJWFSFUOK-UHFFFAOYSA-N 0 0 433.581 3.642 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000003665865 132267496 /nfs/dbraw/zinc/26/74/96/132267496.db2.gz UFWVHBLTGUAXGU-RUZDIDTESA-N 0 0 431.492 3.826 50 0 IHAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000006245595 132276925 /nfs/dbraw/zinc/27/69/25/132276925.db2.gz HWHMOGVWGKIRLR-UHFFFAOYSA-N 0 0 440.525 3.524 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)NCc3ccc(F)cc3)CC1)C[C@H](C)O2 ZINC000006842295 132279580 /nfs/dbraw/zinc/27/95/80/132279580.db2.gz HHYISKFIDGJBDU-KRWDZBQOSA-N 0 0 425.504 3.870 50 0 IHAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000007608285 132280717 /nfs/dbraw/zinc/28/07/17/132280717.db2.gz JZZPVUZTQLKTJY-UHFFFAOYSA-N 0 0 427.570 3.866 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)Cn3nc(C)c4sc5ccccc5c4c3=O)CC2)c1 ZINC000008587691 132282851 /nfs/dbraw/zinc/28/28/51/132282851.db2.gz XYMHKJCLEVGOPT-UHFFFAOYSA-N 0 0 446.576 3.885 50 0 aggregator IHAARN COc1cccc(N2CCN(C(=O)c3cccc(-n4c(C)nc5cccnc54)c3)CC2)c1 ZINC000008592383 132284236 /nfs/dbraw/zinc/28/42/36/132284236.db2.gz XPFJIXGOFUDCSK-UHFFFAOYSA-N 0 0 427.508 3.700 50 0 IHAARN Fc1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000008604920 132287102 /nfs/dbraw/zinc/28/71/02/132287102.db2.gz KEBAADRYFPXHPY-UHFFFAOYSA-N 0 0 425.471 3.805 50 0 IHAARN Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000008605679 132287260 /nfs/dbraw/zinc/28/72/60/132287260.db2.gz LKWWKUNICHPYAM-UHFFFAOYSA-N 0 0 444.560 3.777 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000008728575 132292288 /nfs/dbraw/zinc/29/22/88/132292288.db2.gz JGUPOOWJJQRESU-XMMPIXPASA-N 0 0 440.503 3.801 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(N5CCOCC5)sc4c3)CC2)c1 ZINC000008912764 132297583 /nfs/dbraw/zinc/29/75/83/132297583.db2.gz GKCKLDWBEGANKQ-UHFFFAOYSA-N 0 0 436.581 3.712 50 0 IHAARN CCc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2C)c4=O)cc1 ZINC000009088978 132302401 /nfs/dbraw/zinc/30/24/01/132302401.db2.gz UHTARVPODHZFJV-KRWDZBQOSA-N 0 0 443.551 3.604 50 0 IHAARN COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC[C@@H](C)C4)c(F)cc3c2=O)cc1 ZINC000009119267 132304758 /nfs/dbraw/zinc/30/47/58/132304758.db2.gz OFQDABCMUSDQJD-OAHLLOKOSA-N 0 0 444.528 3.755 50 0 IHAARN CCc1ccc(CNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000009211261 132309108 /nfs/dbraw/zinc/30/91/08/132309108.db2.gz BEMCASCOAAFGIK-UHFFFAOYSA-N 0 0 432.572 3.648 50 0 IHAARN C=C1C(N2CCN(c3cccc(C)c3C)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009251786 132310880 /nfs/dbraw/zinc/31/08/80/132310880.db2.gz GUFYCPBXAGTFNB-UHFFFAOYSA-N 0 0 425.554 3.607 50 0 IHAARN C=C1C(N2CCN(c3cccc(C)c3)[C@H](C)C2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009251790 132310901 /nfs/dbraw/zinc/31/09/01/132310901.db2.gz NNCZWFVTNCNLSS-QGZVFWFLSA-N 0 0 425.554 3.687 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)N2CCCCC2)c(C)c1 ZINC000009254322 132311138 /nfs/dbraw/zinc/31/11/38/132311138.db2.gz MUAPDGWQKXGUQU-WMZHIEFXSA-N 0 0 448.567 3.860 50 0 IHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1F ZINC000009262689 132311560 /nfs/dbraw/zinc/31/15/60/132311560.db2.gz HCYKKYCXYRQINH-UHFFFAOYSA-N 0 0 425.533 3.545 50 0 IHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(F)cc1 ZINC000009264561 132311650 /nfs/dbraw/zinc/31/16/50/132311650.db2.gz DNECQTZHPOGPCP-UHFFFAOYSA-N 0 0 425.533 3.545 50 0 IHAARN CN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(Cl)c3)ncc2S1(=O)=O ZINC000009301244 132313036 /nfs/dbraw/zinc/31/30/36/132313036.db2.gz HARBXJHVCQWLOK-UHFFFAOYSA-N 0 0 446.941 3.666 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N3CCCc4ccccc43)cc2NC1=O ZINC000009430069 132316926 /nfs/dbraw/zinc/31/69/26/132316926.db2.gz UBXOAGHERXXITJ-LJQANCHMSA-N 0 0 444.578 3.653 50 0 IHAARN COc1cc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000009451300 132318135 /nfs/dbraw/zinc/31/81/35/132318135.db2.gz HIOVAQNZJIZQIN-HNNXBMFYSA-N 0 0 429.856 3.697 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000009469320 132318639 /nfs/dbraw/zinc/31/86/39/132318639.db2.gz LQLAORYDMYDUTG-UHFFFAOYSA-N 0 0 441.535 3.588 50 0 IHAARN O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000009492473 132319370 /nfs/dbraw/zinc/31/93/70/132319370.db2.gz LUHWMDBLWRAKNM-UHFFFAOYSA-N 0 0 445.007 3.647 50 0 IHAARN COc1cccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1 ZINC000009597546 132322811 /nfs/dbraw/zinc/32/28/11/132322811.db2.gz HBURTWKZPADQIF-UHFFFAOYSA-N 0 0 448.523 3.746 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(c5ccccc5n(C)c4=O)n3C)CC2)c1 ZINC000009611623 132323493 /nfs/dbraw/zinc/32/34/93/132323493.db2.gz GCRNQZBLBHIAAH-UHFFFAOYSA-N 0 0 428.536 3.609 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@@H]1c1ccccc1)C2=O ZINC000009614209 132323691 /nfs/dbraw/zinc/32/36/91/132323691.db2.gz NZYCISGFBVWNRH-CVBYOTHMSA-N 0 0 433.508 3.654 50 0 IHAARN COc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1 ZINC000009699517 132326615 /nfs/dbraw/zinc/32/66/15/132326615.db2.gz VUESFKXGOZEJEU-JOCHJYFZSA-N 0 0 438.505 3.599 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2oc1-c1ccccc1 ZINC000009714086 132327130 /nfs/dbraw/zinc/32/71/30/132327130.db2.gz OPMIWAYJTKHONA-UHFFFAOYSA-N 0 0 426.476 3.521 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)C1=CSCCO1 ZINC000009737610 132327937 /nfs/dbraw/zinc/32/79/37/132327937.db2.gz LYTKPZJAEVKAND-UHFFFAOYSA-N 0 0 443.956 3.846 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)c1 ZINC000009737619 132327997 /nfs/dbraw/zinc/32/79/97/132327997.db2.gz GPOKRRXMHKDHAA-UHFFFAOYSA-N 0 0 437.565 3.809 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(N2CCCCC2)cc1 ZINC000009778537 132328771 /nfs/dbraw/zinc/32/87/71/132328771.db2.gz YOOFZQAGFMRXLJ-UHFFFAOYSA-N 0 0 433.599 3.704 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009782821 132329058 /nfs/dbraw/zinc/32/90/58/132329058.db2.gz DOCKUQVIBVUXAH-UHFFFAOYSA-N 0 0 443.573 3.922 50 0 IHAARN Cc1ccc(NC(=O)COCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000009850065 132330133 /nfs/dbraw/zinc/33/01/33/132330133.db2.gz RYQIGXGPSRZVRU-UHFFFAOYSA-N 0 0 436.339 3.606 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCCCCC1 ZINC000009903503 132331067 /nfs/dbraw/zinc/33/10/67/132331067.db2.gz YGBFCWQOXYENNE-UHFFFAOYSA-N 0 0 441.597 3.604 50 0 IHAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CCC2(CC1)OCCO2 ZINC000009962717 132332934 /nfs/dbraw/zinc/33/29/34/132332934.db2.gz VZRPPQDOQAGGDF-UHFFFAOYSA-N 0 0 428.529 3.917 50 0 IHAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000010013255 132333989 /nfs/dbraw/zinc/33/39/89/132333989.db2.gz RTFATSOREZDUCP-UHFFFAOYSA-N 0 0 448.523 3.613 50 0 IHAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)c1C ZINC000010104920 132334717 /nfs/dbraw/zinc/33/47/17/132334717.db2.gz PSRPDCXPYBHLTE-UHFFFAOYSA-N 0 0 443.551 3.688 50 0 IHAARN Cc1ccc([C@@H]2N=C(N3CCN(c4cccc(Cl)c4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000010342432 132335656 /nfs/dbraw/zinc/33/56/56/132335656.db2.gz HBLXKJPNFQAYME-JOCHJYFZSA-N 0 0 448.958 3.664 50 0 IHAARN CCCc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000011225938 132337617 /nfs/dbraw/zinc/33/76/17/132337617.db2.gz JQQITTSACKOFIN-UHFFFAOYSA-N 0 0 432.450 3.951 50 0 IHAARN CCN1C[C@@H](CN(C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)Oc2ccccc21 ZINC000011550588 132338027 /nfs/dbraw/zinc/33/80/27/132338027.db2.gz QLVVNQSBJAZTKD-HXUWFJFHSA-N 0 0 448.523 3.961 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3ccc(-c4ccc(C)c(C)c4)nn3)CC2)c1OC ZINC000011695290 132338702 /nfs/dbraw/zinc/33/87/02/132338702.db2.gz DUEONOFYVOXTIJ-UHFFFAOYSA-N 0 0 432.524 3.740 50 0 IHAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012978783 132341323 /nfs/dbraw/zinc/34/13/23/132341323.db2.gz ZZVRHNUACKABQV-IBGZPJMESA-N 0 0 449.477 3.595 50 0 IHAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)CC1 ZINC000013132695 132345697 /nfs/dbraw/zinc/34/56/97/132345697.db2.gz YJSPTCFBJMAGEZ-UHFFFAOYSA-N 0 0 448.548 3.749 50 0 IHAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000014136606 132356350 /nfs/dbraw/zinc/35/63/50/132356350.db2.gz PSEHJHKXTIFDJH-JOCHJYFZSA-N 0 0 448.954 3.945 50 0 IHAARN Cc1nc2scc(-c3cccs3)c2c(N2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000014190732 132356598 /nfs/dbraw/zinc/35/65/98/132356598.db2.gz ARFNEOBPSJOOFB-UHFFFAOYSA-N 0 0 441.626 3.863 50 0 IHAARN Cc1nc2sc3c(c2c(N2CCN([C@H](C(N)=O)c4ccccc4)CC2)n1)CCCCC3 ZINC000014198574 132356814 /nfs/dbraw/zinc/35/68/14/132356814.db2.gz SDNPUWVZVGVLOL-NRFANRHFSA-N 0 0 435.597 3.617 50 0 IHAARN CNC(=O)[C@@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c2ccccc2O1 ZINC000014240793 132356869 /nfs/dbraw/zinc/35/68/69/132356869.db2.gz JRNRGEIVHFFNQC-FQEVSTJZSA-N 0 0 446.532 3.608 50 0 IHAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)cs1 ZINC000012439647 518258644 /nfs/dbraw/zinc/25/86/44/518258644.db2.gz BTGUSVLXJSVWAC-SFHVURJKSA-N 0 0 427.570 3.679 50 0 IHAARN CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCc3ccccc3)o2)cc1 ZINC000021604622 518297400 /nfs/dbraw/zinc/29/74/00/518297400.db2.gz PTCVFELYSOBYMG-MRXNPFEDSA-N 0 0 434.448 3.721 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)cc1 ZINC000012558416 518349169 /nfs/dbraw/zinc/34/91/69/518349169.db2.gz GHTQGIMXJOPGSZ-INIZCTEOSA-N 0 0 431.330 3.768 50 0 IHAARN CC(=O)c1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021763167 518359213 /nfs/dbraw/zinc/35/92/13/518359213.db2.gz JQBZUHKXGOLMTI-UHFFFAOYSA-N 0 0 449.429 3.701 50 0 IHAARN C/C=C\c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 ZINC000033528175 518570294 /nfs/dbraw/zinc/57/02/94/518570294.db2.gz KRIWIDSNJYMVGO-BAQGIRSFSA-N 0 0 444.553 3.920 50 0 IHAARN CC(C)(C)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022406843 519003379 /nfs/dbraw/zinc/00/33/79/519003379.db2.gz XBCSGIDPXBYGKI-OAHLLOKOSA-N 0 0 443.491 3.740 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2cccc(Br)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022503516 519004997 /nfs/dbraw/zinc/00/49/97/519004997.db2.gz KETBVTFJFQLAHZ-AWEZNQCLSA-N 0 0 440.363 3.555 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000021937492 519246083 /nfs/dbraw/zinc/24/60/83/519246083.db2.gz IKVMQWGMIFIQNV-MRXNPFEDSA-N 0 0 430.376 3.511 50 0 IHAARN CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc21 ZINC000020577796 519394158 /nfs/dbraw/zinc/39/41/58/519394158.db2.gz XVLPQLVIKOVJDO-UHFFFAOYSA-N 0 0 445.972 3.905 50 0 IHAARN CC(C)C(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035948736 519449323 /nfs/dbraw/zinc/44/93/23/519449323.db2.gz SMMXJCHZIUQHGM-LJQANCHMSA-N 0 0 441.915 3.861 50 0 IHAARN CC(=O)N(Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCO1)CCO2)c1ccc(C)cc1 ZINC000021654157 519467754 /nfs/dbraw/zinc/46/77/54/519467754.db2.gz FZTCNZDXBCOHGO-HSZRJFAPSA-N 0 0 437.540 3.631 50 0 IHAARN CC(C)Cn1c2nnc(CCC(=O)NCCC3=CCCCC3)n2c2ccsc2c1=O ZINC000035528517 519491166 /nfs/dbraw/zinc/49/11/66/519491166.db2.gz HFNBNGRPWBIDBJ-UHFFFAOYSA-N 0 0 427.574 3.701 50 0 IHAARN CC(C)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000021633512 519518727 /nfs/dbraw/zinc/51/87/27/519518727.db2.gz JWRHYWKDPIFWRG-UHFFFAOYSA-N 0 0 425.510 3.586 50 0 IHAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3cccc(Cl)c3)cc1O2 ZINC000020734127 519520303 /nfs/dbraw/zinc/52/03/03/519520303.db2.gz DIDPKYQRABKLBD-UHFFFAOYSA-N 0 0 442.899 3.704 50 0 IHAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CCCCCCC3)cc1O2 ZINC000012407633 519521607 /nfs/dbraw/zinc/52/16/07/519521607.db2.gz GSAFJAWDZOYHIU-UHFFFAOYSA-N 0 0 442.556 3.641 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000021871990 519633407 /nfs/dbraw/zinc/63/34/07/519633407.db2.gz JAFUUCGWUWDFDT-LBPRGKRZSA-N 0 0 438.908 3.579 50 0 IHAARN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000048374133 519634734 /nfs/dbraw/zinc/63/47/34/519634734.db2.gz MAWJCGZYDDLZEE-UWJYYQICSA-N 0 0 427.957 3.991 50 0 IHAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000021650343 519701896 /nfs/dbraw/zinc/70/18/96/519701896.db2.gz CSFYGZBTFGBHPY-UHFFFAOYSA-N 0 0 445.567 3.980 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)cccc3F)n2)ccc1C ZINC000016651106 519703011 /nfs/dbraw/zinc/70/30/11/519703011.db2.gz BCNRANSFWNMJAF-ZDUSSCGKSA-N 0 0 426.423 3.655 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 ZINC000012797359 519708374 /nfs/dbraw/zinc/70/83/74/519708374.db2.gz NDRZTHIPAHPKFQ-LJQANCHMSA-N 0 0 448.548 3.798 50 0 IHAARN CC(C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2F)CC1 ZINC000036003154 519718471 /nfs/dbraw/zinc/71/84/71/519718471.db2.gz XZKWQNRIWXHFIY-UHFFFAOYSA-N 0 0 437.494 3.887 50 0 IHAARN CC(=O)Nc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000035527377 519721218 /nfs/dbraw/zinc/72/12/18/519721218.db2.gz MGAJFZQYYANEKM-SANMLTNESA-N 0 0 427.504 3.923 50 0 IHAARN CC(C)OCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000033331956 519762185 /nfs/dbraw/zinc/76/21/85/519762185.db2.gz NTSFFQMVOFRTAF-HOOSLVGPSA-N 0 0 429.561 3.959 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000012321412 519820121 /nfs/dbraw/zinc/82/01/21/519820121.db2.gz UJMXHUCMJHPISU-FQEVSTJZSA-N 0 0 433.537 3.553 50 0 IHAARN CC(C)[C@H]1NC2(CCN(C(=O)c3ccccc3F)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014155 519828355 /nfs/dbraw/zinc/82/83/55/519828355.db2.gz STPFUTBHEYCOBU-OAQYLSRUSA-N 0 0 427.495 3.554 50 0 IHAARN CC(C)c1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012243901 519830753 /nfs/dbraw/zinc/83/07/53/519830753.db2.gz KXGTWTMOQQBGQR-UHFFFAOYSA-N 0 0 430.487 3.959 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000022987025 519877432 /nfs/dbraw/zinc/87/74/32/519877432.db2.gz VWEFHEGZOJHNAJ-UHFFFAOYSA-N 0 0 428.286 3.781 50 0 IHAARN CCCNC(=O)CSc1nnc(SCc2nc(-c3ccc(OC)cc3)no2)s1 ZINC000022093886 519881876 /nfs/dbraw/zinc/88/18/76/519881876.db2.gz JGBOECNIDSEPSO-UHFFFAOYSA-N 0 0 437.572 3.507 50 0 IHAARN CCCNC(=O)N1CCCN(c2nc(CC)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000036016663 519883293 /nfs/dbraw/zinc/88/32/93/519883293.db2.gz PVLWZAOGWOBVEG-UHFFFAOYSA-N 0 0 435.576 3.626 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000015771565 519884038 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CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3 ZINC000012906403 520495365 /nfs/dbraw/zinc/49/53/65/520495365.db2.gz WRSWIVSNKNJFMW-LSDHHAIUSA-N 0 0 449.642 3.722 50 0 IHAARN CCOC(=O)C1=C(CSc2ncnc3ccccc32)NC(=O)N[C@@H]1c1cccs1 ZINC000012636195 520528851 /nfs/dbraw/zinc/52/88/51/520528851.db2.gz JJXPZSRYNJHOBG-QGZVFWFLSA-N 0 0 426.523 3.655 50 0 IHAARN CCCSCCCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049849 520565098 /nfs/dbraw/zinc/56/50/98/520565098.db2.gz CHZXIAKJHYMPDB-UHFFFAOYSA-N 0 0 434.993 3.846 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)CC1 ZINC000021365000 520574073 /nfs/dbraw/zinc/57/40/73/520574073.db2.gz RLLQXWPBAHVEDA-HXUWFJFHSA-N 0 0 449.507 3.979 50 0 IHAARN CC1(C)Cc2nc3c(cc2CO1)c(=O)n(-c1ccccc1)c(=O)n3Cc1ccc(F)cc1 ZINC000021798284 520586394 /nfs/dbraw/zinc/58/63/94/520586394.db2.gz IBMXHMBELHKERX-UHFFFAOYSA-N 0 0 431.467 3.586 50 0 IHAARN CCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000012864319 520686970 /nfs/dbraw/zinc/68/69/70/520686970.db2.gz MFQUGRVGKINGDK-UHFFFAOYSA-N 0 0 425.504 3.847 50 0 IHAARN CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1=O ZINC000015008403 520689526 /nfs/dbraw/zinc/68/95/26/520689526.db2.gz BORBPZKZLMCWCI-OALUTQOASA-N 0 0 439.556 3.672 50 0 IHAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892391 520785508 /nfs/dbraw/zinc/78/55/08/520785508.db2.gz XJOBKBBSAZOXBF-JOCHJYFZSA-N 0 0 425.435 3.933 50 0 IHAARN CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)O[C@@H](C)C2 ZINC000022192903 520794666 /nfs/dbraw/zinc/79/46/66/520794666.db2.gz SFEXKQFWOBWWIN-LBPRGKRZSA-N 0 0 430.423 3.758 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)NCc1ccc(F)cc1)CC2 ZINC000021044208 520799542 /nfs/dbraw/zinc/79/95/42/520799542.db2.gz XWBXHEZYOAYSAI-FQEVSTJZSA-N 0 0 444.503 3.995 50 0 IHAARN CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000012768312 520802606 /nfs/dbraw/zinc/80/26/06/520802606.db2.gz VZBDQNGXSXLZLQ-UHFFFAOYSA-N 0 0 431.536 3.943 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1)n2CC ZINC000012578205 520813924 /nfs/dbraw/zinc/81/39/24/520813924.db2.gz HOGLIIYQABEPMQ-UHFFFAOYSA-N 0 0 428.558 3.658 50 0 IHAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1Cl ZINC000012413279 520843097 /nfs/dbraw/zinc/84/30/97/520843097.db2.gz OWMULUSWLJRPAP-QGZVFWFLSA-N 0 0 425.934 3.938 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccccc1 ZINC000021882799 520843523 /nfs/dbraw/zinc/84/35/23/520843523.db2.gz BKAMISVTEZMAET-HXUWFJFHSA-N 0 0 434.496 3.549 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1c(C)cccc1C ZINC000020932116 520859423 /nfs/dbraw/zinc/85/94/23/520859423.db2.gz RXRKMICGANRBOD-HXUWFJFHSA-N 0 0 440.540 3.812 50 0 IHAARN CCN(CC)c1c2cc3c(cc2ncc1S(=O)(=O)c1ccc(OC)cc1)OCCO3 ZINC000021522572 520875916 /nfs/dbraw/zinc/87/59/16/520875916.db2.gz JLLRCGIDQBMRPP-UHFFFAOYSA-N 0 0 428.510 3.694 50 0 IHAARN CCN(CC)c1cc(COC)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1 ZINC000036040911 520876272 /nfs/dbraw/zinc/87/62/72/520876272.db2.gz LBTNMWKUTUPAEX-UHFFFAOYSA-N 0 0 430.530 3.878 50 0 IHAARN CCCCOc1ccc(CNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)cc1 ZINC000035373712 520877480 /nfs/dbraw/zinc/87/74/80/520877480.db2.gz WQTMHFOZFGPTFR-UHFFFAOYSA-N 0 0 432.524 3.929 50 0 IHAARN CCN(CC)c1ccc(C(=O)OCC(=O)COC(=O)c2ccc(N(CC)CC)cc2)cc1 ZINC000012555213 520889061 /nfs/dbraw/zinc/88/90/61/520889061.db2.gz KBCOTUVWSGXCDB-UHFFFAOYSA-N 0 0 440.540 3.962 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1cccc(C)c1C ZINC000020931969 520900489 /nfs/dbraw/zinc/90/04/89/520900489.db2.gz JRXFAQLHZSQHQU-NRFANRHFSA-N 0 0 440.540 3.812 50 0 IHAARN CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000020932628 520900670 /nfs/dbraw/zinc/90/06/70/520900670.db2.gz XOPCLAXCGBNHSN-KRWDZBQOSA-N 0 0 427.444 3.947 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1c(C)cccc1C ZINC000020932110 520900909 /nfs/dbraw/zinc/90/09/09/520900909.db2.gz RXRKMICGANRBOD-FQEVSTJZSA-N 0 0 440.540 3.812 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)n1 ZINC000012016851 520908315 /nfs/dbraw/zinc/90/83/15/520908315.db2.gz RLFUUDHDPRPMEY-UHFFFAOYSA-N 0 0 428.539 3.745 50 0 IHAARN CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1OCC ZINC000017315571 520922589 /nfs/dbraw/zinc/92/25/89/520922589.db2.gz DRBOKMFEQFWGKL-UHFFFAOYSA-N 0 0 449.573 3.551 50 0 IHAARN CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000012823917 520945009 /nfs/dbraw/zinc/94/50/09/520945009.db2.gz TWRLCKRKFYSVGT-UHFFFAOYSA-N 0 0 432.508 3.801 50 0 IHAARN CC1CCN(C(=O)CCC(=O)N2CCCn3nc(-c4cn(C)c5ccccc45)cc32)CC1 ZINC000021533080 520973926 /nfs/dbraw/zinc/97/39/26/520973926.db2.gz BBGJFCRUVRNZPI-UHFFFAOYSA-N 0 0 433.556 3.817 50 0 IHAARN CC1CCN(C(=O)[C@H]2c3ccccc3CCN2CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000033312855 520989157 /nfs/dbraw/zinc/98/91/57/520989157.db2.gz QMMJWHULJIYOTI-HSZRJFAPSA-N 0 0 427.495 3.761 50 0 IHAARN CCC[C@H](C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000021233356 521045311 /nfs/dbraw/zinc/04/53/11/521045311.db2.gz GJFRJFACRZDDLQ-KRWDZBQOSA-N 0 0 433.526 3.533 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2F)cc1OCC ZINC000022459262 521057686 /nfs/dbraw/zinc/05/76/86/521057686.db2.gz YWSADEMYDLZXCU-UHFFFAOYSA-N 0 0 444.912 3.536 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1 ZINC000035961910 521086821 /nfs/dbraw/zinc/08/68/21/521086821.db2.gz FHKDNWNHPXYIBT-HSZRJFAPSA-N 0 0 437.540 3.566 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035948297 521088983 /nfs/dbraw/zinc/08/89/83/521088983.db2.gz CJLPVOKRUNOSRZ-SFHVURJKSA-N 0 0 433.961 3.964 50 0 IHAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1S(=O)(=O)N1CCCC1 ZINC000021840428 521112720 /nfs/dbraw/zinc/11/27/20/521112720.db2.gz MZIHJEULMNBNKF-UHFFFAOYSA-N 0 0 441.509 3.777 50 0 IHAARN CCOc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000012522251 521125494 /nfs/dbraw/zinc/12/54/94/521125494.db2.gz GFXQSFINURONSI-UHFFFAOYSA-N 0 0 445.585 3.723 50 0 IHAARN CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000015981758 521182299 /nfs/dbraw/zinc/18/22/99/521182299.db2.gz VHJLHVBTZJBTHF-UHFFFAOYSA-N 0 0 434.448 3.975 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000016475194 521192103 /nfs/dbraw/zinc/19/21/03/521192103.db2.gz YMFGZQCTHWRHJN-UHFFFAOYSA-N 0 0 440.924 3.917 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(CC)cc4)CC3)sc2n1 ZINC000021165763 521345434 /nfs/dbraw/zinc/34/54/34/521345434.db2.gz PCWQVXUBUVAGKH-UHFFFAOYSA-N 0 0 425.558 3.521 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)sc2n1 ZINC000020866094 521346240 /nfs/dbraw/zinc/34/62/40/521346240.db2.gz GKGOYKDSTDINAX-UHFFFAOYSA-N 0 0 445.976 3.920 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCCOC)C(=O)c2ccc(C)cc2)c1C ZINC000036003561 521363938 /nfs/dbraw/zinc/36/39/38/521363938.db2.gz CPRJRGXLTCQVAZ-GOSISDBHSA-N 0 0 428.529 3.867 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)c2cc(OC)cc(OC)c2)c1C ZINC000015865633 521367090 /nfs/dbraw/zinc/36/70/90/521367090.db2.gz FWUDODALPGRBOL-GOSISDBHSA-N 0 0 444.528 3.647 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc3ccccc3s2)c(=O)[nH]c1=O ZINC000018119143 521368437 /nfs/dbraw/zinc/36/84/37/521368437.db2.gz ZKPOJGNACYQWMT-UHFFFAOYSA-N 0 0 448.548 3.981 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)C1(O)CCCCC1 ZINC000014323845 521371065 /nfs/dbraw/zinc/37/10/65/521371065.db2.gz PYFZSPDTLLABED-UHFFFAOYSA-N 0 0 435.498 3.670 50 0 IHAARN CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](CC)N(C)C ZINC000016045333 521371487 /nfs/dbraw/zinc/37/14/87/521371487.db2.gz IQWHMVDGLHKHEY-HXUWFJFHSA-N 0 0 444.649 3.532 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)c1C ZINC000035484069 521378294 /nfs/dbraw/zinc/37/82/94/521378294.db2.gz UNIOTDUZMNTWEI-QGZVFWFLSA-N 0 0 439.556 3.928 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)c1C ZINC000021369566 521379527 /nfs/dbraw/zinc/37/95/27/521379527.db2.gz ANBFGNYRDDOSHF-OAHLLOKOSA-N 0 0 442.541 3.712 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CCOC)C(=O)c2ccccc2Cl)c(C)n1C ZINC000036006404 521388227 /nfs/dbraw/zinc/38/82/27/521388227.db2.gz XWQYGKPWZFNDJC-INIZCTEOSA-N 0 0 448.947 3.832 50 0 IHAARN CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000016047952 521406311 /nfs/dbraw/zinc/40/63/11/521406311.db2.gz INPBKFCFDWVGOR-UHFFFAOYSA-N 0 0 441.958 3.869 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)cc1 ZINC000012411050 521497024 /nfs/dbraw/zinc/49/70/24/521497024.db2.gz PICJPFDLISICHH-UHFFFAOYSA-N 0 0 425.510 3.922 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012579606 521498987 /nfs/dbraw/zinc/49/89/87/521498987.db2.gz OPCDBQOPTYQRAK-HOTGVXAUSA-N 0 0 436.961 3.805 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022715120 521501484 /nfs/dbraw/zinc/50/14/84/521501484.db2.gz HGNZFZKJWBPQFB-HXUWFJFHSA-N 0 0 444.553 3.744 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)cnn32)cc1 ZINC000020738628 521510396 /nfs/dbraw/zinc/51/03/96/521510396.db2.gz VGJGSKNKSIMZNW-LJQANCHMSA-N 0 0 434.452 3.907 50 0 IHAARN CCN1C(=O)C[C@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O ZINC000012099767 521524058 /nfs/dbraw/zinc/52/40/58/521524058.db2.gz OXLBUSSSXMBALD-WXVAWEFUSA-N 0 0 448.563 3.610 50 0 IHAARN CCOc1ccccc1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012550582 521525958 /nfs/dbraw/zinc/52/59/58/521525958.db2.gz UAXBDPCWQMASKU-UHFFFAOYSA-N 0 0 442.869 3.913 50 0 IHAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2ccc(Br)cc2)nc1N ZINC000021871585 521572547 /nfs/dbraw/zinc/57/25/47/521572547.db2.gz ZWTBPEFFHQGULM-ZDUSSCGKSA-N 0 0 439.335 3.507 50 0 IHAARN CCCc1sc(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1CC ZINC000012622982 521613247 /nfs/dbraw/zinc/61/32/47/521613247.db2.gz MHLXZAIYKISJOP-SFHVURJKSA-N 0 0 449.594 3.640 50 0 IHAARN CCCn1c(=O)c2c(nc1SCC(=O)NCc1ccco1)c(-c1ccccc1)cn2C ZINC000033114477 521616850 /nfs/dbraw/zinc/61/68/50/521616850.db2.gz OQWFSHKSDJVJKV-UHFFFAOYSA-N 0 0 436.537 3.814 50 0 IHAARN CCCn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)CSC(C)C)CC1)CCCC3 ZINC000012321670 521617094 /nfs/dbraw/zinc/61/70/94/521617094.db2.gz DFMBDYWBRQIAHK-UHFFFAOYSA-N 0 0 448.658 3.537 50 0 IHAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1CC ZINC000012422707 521627507 /nfs/dbraw/zinc/62/75/07/521627507.db2.gz BACKAEKHXCWXHD-UHFFFAOYSA-N 0 0 440.573 3.652 50 0 IHAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C ZINC000012422699 521627540 /nfs/dbraw/zinc/62/75/40/521627540.db2.gz GJJQKTRILHWCDA-UHFFFAOYSA-N 0 0 434.953 3.790 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)COc2ccccc2)c1 ZINC000035770059 521686729 /nfs/dbraw/zinc/68/67/29/521686729.db2.gz TXNZAPWXLMJGIV-UHFFFAOYSA-N 0 0 429.494 3.616 50 0 IHAARN CCCN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012756634 521696838 /nfs/dbraw/zinc/69/68/38/521696838.db2.gz CWWDOYWGYCXUSN-AWEZNQCLSA-N 0 0 448.928 3.874 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000034927946 521703128 /nfs/dbraw/zinc/70/31/28/521703128.db2.gz CXIVQDZYGLVXLZ-ZEQRLZLVSA-N 0 0 443.503 3.817 50 0 IHAARN CCOCCCN(C(=O)c1ccc(C)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004184 521704309 /nfs/dbraw/zinc/70/43/09/521704309.db2.gz CICNGRUOWDGGBW-GOSISDBHSA-N 0 0 428.529 3.867 50 0 IHAARN CCN1CCc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2C1 ZINC000021296349 521725275 /nfs/dbraw/zinc/72/52/75/521725275.db2.gz FVAXXJCKVCRORN-UHFFFAOYSA-N 0 0 442.566 3.574 50 0 IHAARN COC(=O)c1c(C)c(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000036014655 521751396 /nfs/dbraw/zinc/75/13/96/521751396.db2.gz CCSSTPGAYZLNLX-UHFFFAOYSA-N 0 0 446.569 3.635 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000017100261 521754751 /nfs/dbraw/zinc/75/47/51/521754751.db2.gz DWDZPISPKQPICJ-UHFFFAOYSA-N 0 0 436.511 3.534 50 0 IHAARN CCc1cccc2c([C@H](CC(=O)NCCN3CCOCC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910548 521795861 /nfs/dbraw/zinc/79/58/61/521795861.db2.gz PDXWMUYTOALPHC-OAQYLSRUSA-N 0 0 441.522 3.979 50 0 IHAARN COC(=O)c1cc(/C=C/C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)oc1C ZINC000012876998 521797675 /nfs/dbraw/zinc/79/76/75/521797675.db2.gz IXTALIRNKZWBQK-VOTSOKGWSA-N 0 0 436.430 3.751 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012562692 521862578 /nfs/dbraw/zinc/86/25/78/521862578.db2.gz IVVZKZATZGQWOE-GOSISDBHSA-N 0 0 442.991 3.510 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)o1 ZINC000023934187 521863141 /nfs/dbraw/zinc/86/31/41/521863141.db2.gz CTHVTKHKJZVPKY-INIZCTEOSA-N 0 0 438.553 3.801 50 0 IHAARN CCc1ccccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033268379 521864021 /nfs/dbraw/zinc/86/40/21/521864021.db2.gz UDBRQDNSWCJFJC-UHFFFAOYSA-N 0 0 433.917 3.831 50 0 IHAARN COCC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012433929 521873465 /nfs/dbraw/zinc/87/34/65/521873465.db2.gz OOLGTMHXDPUUCY-NRFANRHFSA-N 0 0 433.618 3.752 50 0 IHAARN CCc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000020930767 521879507 /nfs/dbraw/zinc/87/95/07/521879507.db2.gz LNQWOTHRXCJCIF-UONOGXRCSA-N 0 0 432.567 3.873 50 0 IHAARN COc1cc(-c2ncc(C(=O)NCC(C)C)c(N3CCCC[C@H]3C)n2)cc(OC)c1OC ZINC000035987884 521905400 /nfs/dbraw/zinc/90/54/00/521905400.db2.gz ZTMDZYSPORWISP-MRXNPFEDSA-N 0 0 442.560 3.934 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc(OC)c1OC ZINC000012532748 521909139 /nfs/dbraw/zinc/90/91/39/521909139.db2.gz JBIHSSCTJIOUBJ-VNHYZAJKSA-N 0 0 435.546 3.795 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3F)o2)cc(OC)c1OC ZINC000015228050 521910347 /nfs/dbraw/zinc/91/03/47/521910347.db2.gz QHOMUPRCPZUAJU-UHFFFAOYSA-N 0 0 433.461 3.941 50 0 IHAARN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000020567835 521958207 /nfs/dbraw/zinc/95/82/07/521958207.db2.gz ZTONBZKMXFSGFL-UHFFFAOYSA-N 0 0 435.855 3.610 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3OC(C)(C)C(C)(C)O3)c2)cc1 ZINC000012402048 521976775 /nfs/dbraw/zinc/97/67/75/521976775.db2.gz GKNUBRFAIROIOD-UHFFFAOYSA-N 0 0 432.542 3.792 50 0 IHAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 ZINC000022962968 522038133 /nfs/dbraw/zinc/03/81/33/522038133.db2.gz IEFOGEOUQHXEOJ-LAUBAEHRSA-N 0 0 430.570 3.680 50 0 IHAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O ZINC000012769368 522047744 /nfs/dbraw/zinc/04/77/44/522047744.db2.gz SITODKUTWBCCCD-INIZCTEOSA-N 0 0 434.558 3.954 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(NC(=O)NCCc3ccc(OC)cc3)s2)o1 ZINC000035590201 522053209 /nfs/dbraw/zinc/05/32/09/522053209.db2.gz BUUUTGXRDDKJMI-UHFFFAOYSA-N 0 0 448.526 3.583 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)COCc1ccccc1 ZINC000035766950 522066637 /nfs/dbraw/zinc/06/66/37/522066637.db2.gz NXPGFGVYSFQFOM-NFBKMPQASA-N 0 0 442.556 3.631 50 0 IHAARN CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)S(=O)(=O)c1cccc2cccnc21 ZINC000035332182 522097110 /nfs/dbraw/zinc/09/71/10/522097110.db2.gz QDEGDHFXADCHIJ-MRXNPFEDSA-N 0 0 448.566 3.563 50 0 IHAARN CC[C@@H](C)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccco1 ZINC000016097463 522169746 /nfs/dbraw/zinc/16/97/46/522169746.db2.gz DKZSCZZLERAGOG-IYSPOMMRSA-N 0 0 427.526 3.675 50 0 IHAARN COc1cc(C)c(CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1OC ZINC000022787219 522191019 /nfs/dbraw/zinc/19/10/19/522191019.db2.gz ZMPAQJGCEGGOFL-RBUKOAKNSA-N 0 0 443.563 3.535 50 0 IHAARN COc1cc(C)c(CN2CCN(C(=O)CCC(=O)c3ccc(C)s3)CC2)cc1OC ZINC000022025354 522191241 /nfs/dbraw/zinc/19/12/41/522191241.db2.gz HVXVISWGKXPZBO-UHFFFAOYSA-N 0 0 430.570 3.689 50 0 IHAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000012893238 522213041 /nfs/dbraw/zinc/21/30/41/522213041.db2.gz IWKYPYZQXIGHBF-UHFFFAOYSA-N 0 0 445.368 3.518 50 0 IHAARN CN(C)c1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1 ZINC000022420881 522233825 /nfs/dbraw/zinc/23/38/25/522233825.db2.gz BXLFHWQOCMJXJL-UHFFFAOYSA-N 0 0 448.907 3.993 50 0 IHAARN COC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012457827 522255505 /nfs/dbraw/zinc/25/55/05/522255505.db2.gz SXJFFDJLNUEBLA-QGZVFWFLSA-N 0 0 426.488 3.561 50 0 IHAARN COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000024375592 522266565 /nfs/dbraw/zinc/26/65/65/522266565.db2.gz VEHVFRCTKQZYLU-UHFFFAOYSA-N 0 0 448.722 3.723 50 0 IHAARN COC(=O)c1ccccc1[C@@H]1NC(=S)N(c2ccc(C)c(F)c2)C(C)=C1C(=O)OC ZINC000012557860 522289767 /nfs/dbraw/zinc/28/97/67/522289767.db2.gz IYZWLCKJKHYFRH-IBGZPJMESA-N 0 0 428.485 3.804 50 0 IHAARN COc1cc(CC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc(OC)c1OC ZINC000012910447 522320887 /nfs/dbraw/zinc/32/08/87/522320887.db2.gz HCAXJXLRSWKTMG-UHFFFAOYSA-N 0 0 439.537 3.913 50 0 IHAARN CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036019807 522331872 /nfs/dbraw/zinc/33/18/72/522331872.db2.gz PUDVEDBQWXXNSW-VGSWGCGISA-N 0 0 441.522 3.944 50 0 IHAARN COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)cc(OC)c1O ZINC000012469011 522406411 /nfs/dbraw/zinc/40/64/11/522406411.db2.gz ZMEAXXJODSYZGB-JOCHJYFZSA-N 0 0 432.520 3.653 50 0 IHAARN CC[C@@H](C)c1ccc(NC(=O)CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 ZINC000012634689 522426739 /nfs/dbraw/zinc/42/67/39/522426739.db2.gz PKHGPWZGOXLKEA-OAHLLOKOSA-N 0 0 431.558 3.700 50 0 IHAARN COc1cc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc(OC)c1 ZINC000033289172 522430398 /nfs/dbraw/zinc/43/03/98/522430398.db2.gz KVPCOWHOXZLWKT-IBGZPJMESA-N 0 0 448.523 3.819 50 0 IHAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(S(=O)(=O)CC)CC2)n1)CC[C@@H](C)C3 ZINC000035867883 522442633 /nfs/dbraw/zinc/44/26/33/522442633.db2.gz PXUYICYPGZPOJC-HUUCEWRRSA-N 0 0 436.647 3.801 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000035990307 522468265 /nfs/dbraw/zinc/46/82/65/522468265.db2.gz IWPSEBPDBIYLSQ-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)[NH+]3CCC(O)CC3)c([O-])n2n1 ZINC000012341973 522533902 /nfs/dbraw/zinc/53/39/02/522533902.db2.gz VORWUONUYDOEOB-OAHLLOKOSA-N 0 0 426.464 3.624 50 0 IHAARN CCc1nc2sc([C@@H](c3ccccc3Cl)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854038 522536203 /nfs/dbraw/zinc/53/62/03/522536203.db2.gz KZNSGDAMQCHPPJ-MRXNPFEDSA-N 0 0 434.949 3.641 50 0 IHAARN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854047 522537536 /nfs/dbraw/zinc/53/75/36/522537536.db2.gz PTCUYXCRZLVHDV-INIZCTEOSA-N 0 0 434.949 3.641 50 0 IHAARN COc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(OC)c1 ZINC000021882509 522656561 /nfs/dbraw/zinc/65/65/61/522656561.db2.gz WEIKOFMAEJWRFK-UHFFFAOYSA-N 0 0 427.526 3.842 50 0 IHAARN CN(CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br ZINC000012866239 522678286 /nfs/dbraw/zinc/67/82/86/522678286.db2.gz JILQBRFGGZMVNF-UHFFFAOYSA-N 0 0 426.261 3.626 50 0 IHAARN COc1cc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000035530277 522679918 /nfs/dbraw/zinc/67/99/18/522679918.db2.gz QEDIZSLINNMCFU-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)cc(OC)c1OC ZINC000032959957 522709366 /nfs/dbraw/zinc/70/93/66/522709366.db2.gz YRCHTPJSLLBALV-OAHLLOKOSA-N 0 0 440.500 3.721 50 0 IHAARN CNc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000017051889 522718007 /nfs/dbraw/zinc/71/80/07/522718007.db2.gz VXEHAGGZKZJCMC-UHFFFAOYSA-N 0 0 431.500 3.788 50 0 IHAARN COc1cc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc(OC)c1 ZINC000021660151 522719451 /nfs/dbraw/zinc/71/94/51/522719451.db2.gz RVMNYYMDPGPXJA-UHFFFAOYSA-N 0 0 434.452 3.683 50 0 IHAARN COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc2sc(NC(C)=O)nc21 ZINC000032961285 522719779 /nfs/dbraw/zinc/71/97/79/522719779.db2.gz DCKIXBAPIXHTQQ-UHFFFAOYSA-N 0 0 431.470 3.541 50 0 IHAARN CN(CCCCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccccc1C(F)(F)F ZINC000021580252 522733796 /nfs/dbraw/zinc/73/37/96/522733796.db2.gz HJRPDLXUJDCRMY-UHFFFAOYSA-N 0 0 433.430 3.652 50 0 IHAARN CCc1nnc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000012634873 522771941 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CN1CCN(C(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)[C@@H](c2ccccc2)C1 ZINC000035511776 523880403 /nfs/dbraw/zinc/88/04/03/523880403.db2.gz BMJAQEIAIXCIQO-XMMPIXPASA-N 0 0 427.552 3.873 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(OC)c1OC ZINC000012921982 523893620 /nfs/dbraw/zinc/89/36/20/523893620.db2.gz SMLOEJOOQLABDQ-SFHVURJKSA-N 0 0 427.497 3.780 50 0 IHAARN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 ZINC000012552957 523895722 /nfs/dbraw/zinc/89/57/22/523895722.db2.gz HVKQMUFOLFTMCV-CYBMUJFWSA-N 0 0 443.388 3.574 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 ZINC000020726219 523909870 /nfs/dbraw/zinc/90/98/70/523909870.db2.gz PCJJBHSNLVWRKG-PZJWPPBQSA-N 0 0 438.915 3.505 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SCc2ccccc2)ncc1Cl ZINC000041097728 523911142 /nfs/dbraw/zinc/91/11/42/523911142.db2.gz HFAPDKHBEIBRAF-SFHVURJKSA-N 0 0 441.940 3.936 50 0 IHAARN CCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021714402 523937634 /nfs/dbraw/zinc/93/76/34/523937634.db2.gz AECOZHBNRWSDME-VWLOTQADSA-N 0 0 448.588 3.989 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)c1ccc(OC)cc1OC ZINC000016498142 523942225 /nfs/dbraw/zinc/94/22/25/523942225.db2.gz ZRKMKQMLXGEADC-INIZCTEOSA-N 0 0 435.542 3.873 50 0 IHAARN COc1ccc(CCNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1OC ZINC000023143079 523955976 /nfs/dbraw/zinc/95/59/76/523955976.db2.gz LNHOXYUAUXVDMI-UHFFFAOYSA-N 0 0 446.551 3.736 50 0 IHAARN CCc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000021360893 523973045 /nfs/dbraw/zinc/97/30/45/523973045.db2.gz CRVDOURJLNWLGU-UHFFFAOYSA-N 0 0 431.540 3.692 50 0 IHAARN CN(C)C(=O)CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012443089 523973515 /nfs/dbraw/zinc/97/35/15/523973515.db2.gz RTNAXEFYUKCGCC-IBGZPJMESA-N 0 0 425.504 3.538 50 0 IHAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012703901 524001511 /nfs/dbraw/zinc/00/15/11/524001511.db2.gz RRUZVLQIPSVKEV-NRFANRHFSA-N 0 0 447.579 3.753 50 0 IHAARN COc1ccc(CN(Cc2ccco2)C(C)=O)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000035770215 524016274 /nfs/dbraw/zinc/01/62/74/524016274.db2.gz MPDGZXZFHMASCU-UHFFFAOYSA-N 0 0 433.457 3.744 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)NC(C)C)cc1 ZINC000036043191 524039094 /nfs/dbraw/zinc/03/90/94/524039094.db2.gz CGOUDRDYLGOCMP-MZNJEOGPSA-N 0 0 441.572 3.908 50 0 IHAARN COc1ccc(CN2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)c(OC)c1 ZINC000021038691 524039769 /nfs/dbraw/zinc/03/97/69/524039769.db2.gz AHVBELNAAJDCKT-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)c(OC)c1 ZINC000033311952 524046370 /nfs/dbraw/zinc/04/63/70/524046370.db2.gz JPOHYULQKQXJED-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)cc1 ZINC000035462608 524049062 /nfs/dbraw/zinc/04/90/62/524049062.db2.gz QHRSHSBWEIYFGQ-UHFFFAOYSA-N 0 0 440.507 3.610 50 0 IHAARN COc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c(OC)c1 ZINC000035403934 524050657 /nfs/dbraw/zinc/05/06/57/524050657.db2.gz VNRNRHBPNNVZNE-UHFFFAOYSA-N 0 0 446.551 3.603 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328951 524053611 /nfs/dbraw/zinc/05/36/11/524053611.db2.gz DHNOTZJBRYEPOU-UHFFFAOYSA-N 0 0 445.504 3.955 50 0 IHAARN CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)c1 ZINC000021705010 524061966 /nfs/dbraw/zinc/06/19/66/524061966.db2.gz PWFYUQOPKVJRIV-UHFFFAOYSA-N 0 0 425.924 3.541 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(Br)cc3)c2)C1 ZINC000033264538 524076824 /nfs/dbraw/zinc/07/68/24/524076824.db2.gz VMIKSZUKDXHHOR-SFHVURJKSA-N 0 0 430.346 3.898 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)c1 ZINC000015005570 524088678 /nfs/dbraw/zinc/08/86/78/524088678.db2.gz QZJBTSYMWMTDNX-GOSISDBHSA-N 0 0 447.535 3.859 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(C)c(C)c4)n3n2)c1 ZINC000017135551 524120693 /nfs/dbraw/zinc/12/06/93/524120693.db2.gz OHROBXWDXIALRU-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1cccc(-n2c(SCCCn3c4ccccc4[nH]c3=O)nc3ccccc3c2=O)n1 ZINC000024458291 524140877 /nfs/dbraw/zinc/14/08/77/524140877.db2.gz AUMSKHJPFJKMGO-UHFFFAOYSA-N 0 0 443.532 3.915 50 0 IHAARN Cc1cccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000036006059 524148081 /nfs/dbraw/zinc/14/80/81/524148081.db2.gz LSADWZSLFQDJRV-UHFFFAOYSA-N 0 0 430.487 3.534 50 0 IHAARN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020681207 524150558 /nfs/dbraw/zinc/15/05/58/524150558.db2.gz IHZRBFTZQRNCKQ-RNXZQOMOSA-N 0 0 445.007 3.645 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N(C)Cc3cc(C)n[nH]3)CCC(=O)N2)c2ccccc12 ZINC000012167475 524157816 /nfs/dbraw/zinc/15/78/16/524157816.db2.gz UIHAKQZIMZCKFF-RUZDIDTESA-N 0 0 434.540 3.510 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)NCc3ccc(Cl)s3)CCC(=O)N2)cc1OC ZINC000011998050 524158981 /nfs/dbraw/zinc/15/89/81/524158981.db2.gz RSADRJXEEXGQHO-NRFANRHFSA-N 0 0 436.961 3.707 50 0 IHAARN Cc1ccc(C)c(OC[C@@H](O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c1C ZINC000014251379 524179941 /nfs/dbraw/zinc/17/99/41/524179941.db2.gz WYJPLNGKDZNJIF-OAHLLOKOSA-N 0 0 430.595 3.941 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c1 ZINC000022605903 524191341 /nfs/dbraw/zinc/19/13/41/524191341.db2.gz QRDPTUMWXNOIPX-UHFFFAOYSA-N 0 0 433.624 3.995 50 0 IHAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c21 ZINC000020726532 524200749 /nfs/dbraw/zinc/20/07/49/524200749.db2.gz TZCMVLHUXVKZHM-LJQANCHMSA-N 0 0 434.418 3.538 50 0 IHAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCC3CC3)C[C@@H]3CCCO3)no2)c(C)c1 ZINC000036015808 524209621 /nfs/dbraw/zinc/20/96/21/524209621.db2.gz PJGNGPGTORIFGT-FQEVSTJZSA-N 0 0 439.556 3.804 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947804 524231273 /nfs/dbraw/zinc/23/12/73/524231273.db2.gz YOHFLGDDDYBCFF-OAQYLSRUSA-N 0 0 435.524 3.824 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(-c3noc(C)n3)c2)C1 ZINC000021885063 524240021 /nfs/dbraw/zinc/24/00/21/524240021.db2.gz AZWWOIFMQSKTHC-AWEZNQCLSA-N 0 0 426.860 3.699 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012915843 524241781 /nfs/dbraw/zinc/24/17/81/524241781.db2.gz KRMPZSDWRDNVPH-MRXNPFEDSA-N 0 0 436.524 3.503 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCCC1=CCCCC1)c(C)n2C ZINC000035448398 524269241 /nfs/dbraw/zinc/26/92/41/524269241.db2.gz ZZRAOFGAOCPFTM-UHFFFAOYSA-N 0 0 448.567 3.956 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c(C)c1 ZINC000021531323 524283833 /nfs/dbraw/zinc/28/38/33/524283833.db2.gz LPGXXLURZCRQBF-UHFFFAOYSA-N 0 0 435.977 3.656 50 0 IHAARN COc1ccc(F)c(C[C@]2(CCC(=O)N(CC3CCC3)C[C@H]3CCCO3)CCC(=O)N2)c1 ZINC000012099401 524285950 /nfs/dbraw/zinc/28/59/50/524285950.db2.gz JHFHUHQXHYOUTM-PXDATVDWSA-N 0 0 446.563 3.614 50 0 IHAARN COc1ccc(F)cc1CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000024387714 524310193 /nfs/dbraw/zinc/31/01/93/524310193.db2.gz YEXOOUNNGVFIAT-UHFFFAOYSA-N 0 0 425.273 3.694 50 0 IHAARN Cc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000012112251 524338483 /nfs/dbraw/zinc/33/84/83/524338483.db2.gz GARULZHKLUEATI-UHFFFAOYSA-N 0 0 446.507 3.579 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2cccc(F)c2)c2nc(C)ccc2c1=O ZINC000021151560 524362306 /nfs/dbraw/zinc/36/23/06/524362306.db2.gz DYRUSRDRUIYZOK-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)o1 ZINC000023392963 524363341 /nfs/dbraw/zinc/36/33/41/524363341.db2.gz PXVGFGWSKYZBAJ-UHFFFAOYSA-N 0 0 441.553 3.504 50 0 IHAARN COc1ccc(N(Cc2c(F)cccc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000021167137 524366102 /nfs/dbraw/zinc/36/61/02/524366102.db2.gz JQQPARHWKJALME-ZWKOTPCHSA-N 0 0 440.949 3.763 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000012568746 524369519 /nfs/dbraw/zinc/36/95/19/524369519.db2.gz ZTLUPUJZILJBDG-WAIKUNEKSA-N 0 0 441.553 3.791 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000248121381 524396764 /nfs/dbraw/zinc/39/67/64/524396764.db2.gz DWVUYDLNFHGLKI-CLAROIROSA-N 0 0 430.504 3.700 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000021861374 524404250 /nfs/dbraw/zinc/40/42/50/524404250.db2.gz AHPKAUWVZNSKBX-WTVMNDFJSA-N 0 0 434.540 3.985 50 0 IHAARN Cc1cc(C)cc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000012768875 524441519 /nfs/dbraw/zinc/44/15/19/524441519.db2.gz BERVDYNUBRBQOQ-UHFFFAOYSA-N 0 0 440.931 3.730 50 0 IHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCNC(=O)/C=C/c3ccccc3)cs2)c1 ZINC000034905405 524453963 /nfs/dbraw/zinc/45/39/63/524453963.db2.gz ITHYXESRSGPZGG-CMDGGOBGSA-N 0 0 435.549 3.898 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1Cl ZINC000012386901 524482153 /nfs/dbraw/zinc/48/21/53/524482153.db2.gz HLXTXKOAULXWCM-KRWDZBQOSA-N 0 0 437.968 3.723 50 0 IHAARN COc1ccccc1CNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CC(C)C)c1=O ZINC000012212724 524483243 /nfs/dbraw/zinc/48/32/43/524483243.db2.gz IDMIXINSFLFUGM-UHFFFAOYSA-N 0 0 439.556 3.630 50 0 IHAARN Cc1ccc(CNC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000022631179 524505214 /nfs/dbraw/zinc/50/52/14/524505214.db2.gz NCJAVHDASWYODC-UHFFFAOYSA-N 0 0 426.611 3.614 50 0 IHAARN COc1ccccc1N(CC(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000012799519 524530166 /nfs/dbraw/zinc/53/01/66/524530166.db2.gz YPFCQWXLVUUICW-ICSRJNTNSA-N 0 0 430.570 3.894 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012767869 524532057 /nfs/dbraw/zinc/53/20/57/524532057.db2.gz XOMQLDQNUHEJBY-FPTDNZKUSA-N 0 0 448.350 3.898 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nc5cccnc5s4)CC3)C[C@@H]2C)c1 ZINC000020996245 524544284 /nfs/dbraw/zinc/54/42/84/524544284.db2.gz JLOBTPQYCWPJKV-SFHVURJKSA-N 0 0 435.597 3.953 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCn3nc(-c4cccc(Cl)c4)ccc3=O)CC2)c1 ZINC000041251982 524546213 /nfs/dbraw/zinc/54/62/13/524546213.db2.gz FTAJJKBMYCAWGK-UHFFFAOYSA-N 0 0 436.943 3.611 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C)n4)c3)C2)cc1Cl ZINC000021885073 524590468 /nfs/dbraw/zinc/59/04/68/524590468.db2.gz IFRSTOMQTWGECH-CQSZACIVSA-N 0 0 426.860 3.699 50 0 IHAARN COc1ccccc1NC(=O)COc1cc(CSc2nnc(C)s2)ncc1OC ZINC000015824080 524597884 /nfs/dbraw/zinc/59/78/84/524597884.db2.gz MSIOMCCHSPHOIL-UHFFFAOYSA-N 0 0 432.527 3.569 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000012816679 524604984 /nfs/dbraw/zinc/60/49/84/524604984.db2.gz RGWMLMPYGGXSNE-INIZCTEOSA-N 0 0 429.948 3.704 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000033128053 524607401 /nfs/dbraw/zinc/60/74/01/524607401.db2.gz VKGVGMKLTWZSCO-INIZCTEOSA-N 0 0 439.537 3.986 50 0 IHAARN COc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000021687393 524657223 /nfs/dbraw/zinc/65/72/23/524657223.db2.gz OSSATJHWJLNSBT-UHFFFAOYSA-N 0 0 441.528 3.681 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000012441159 524667188 /nfs/dbraw/zinc/66/71/88/524667188.db2.gz LYGNMIVVRDQURY-UHFFFAOYSA-N 0 0 434.496 3.605 50 0 IHAARN Cc1cc(CN2CCN(Cc3nc(=O)c4c(-c5ccc(C)s5)csc4[nH]3)CC2)no1 ZINC000022805055 524696580 /nfs/dbraw/zinc/69/65/80/524696580.db2.gz IGFKHASLQZTWKV-UHFFFAOYSA-N 0 0 441.582 3.636 50 0 IHAARN Cc1ccc(Cl)c(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)c1 ZINC000016448693 524715180 /nfs/dbraw/zinc/71/51/80/524715180.db2.gz HBMYJJFZXVLDDK-UHFFFAOYSA-N 0 0 438.340 3.917 50 0 IHAARN COc1ccc(Nc2nc(N)nc(CSc3nnc4sc5ccccc5n34)n2)cc1 ZINC000012321794 524717126 /nfs/dbraw/zinc/71/71/26/524717126.db2.gz MFUKRQMKNCJQGX-UHFFFAOYSA-N 0 0 436.526 3.756 50 0 IHAARN COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3sccc3C(N)=O)s2)cc1 ZINC000012522129 524721687 /nfs/dbraw/zinc/72/16/87/524721687.db2.gz SVZMZNBQUHQHFC-SECBINFHSA-N 0 0 435.556 3.570 50 0 IHAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000032988547 524748752 /nfs/dbraw/zinc/74/87/52/524748752.db2.gz OSBOXJXIUVFMGU-GOSISDBHSA-N 0 0 439.581 3.963 50 0 IHAARN Cc1ccc(Cn2cc(Br)c(NC(=O)c3cc(C)nc4c3cnn4C)n2)cc1 ZINC000036616637 524772808 /nfs/dbraw/zinc/77/28/08/524772808.db2.gz QIBOXTGOULZWDJ-UHFFFAOYSA-N 0 0 439.317 3.845 50 0 IHAARN C[C@@H]1CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000012650769 524785703 /nfs/dbraw/zinc/78/57/03/524785703.db2.gz ZJRZDWFDSHAJRB-ZIAGYGMSSA-N 0 0 437.418 3.637 50 0 IHAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC3CCCCC3)c3ccccc32)C[C@@H](C)O1 ZINC000017246604 524799589 /nfs/dbraw/zinc/79/95/89/524799589.db2.gz OPXVKFBFANXIDI-QZTJIDSGSA-N 0 0 443.613 3.818 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)c1 ZINC000017274452 524852078 /nfs/dbraw/zinc/85/20/78/524852078.db2.gz LEFWXRDMEZDWHX-UHFFFAOYSA-N 0 0 437.521 3.875 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128099 524864622 /nfs/dbraw/zinc/86/46/22/524864622.db2.gz MFUTYEBJDUPMEY-INIZCTEOSA-N 0 0 439.537 3.986 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000012361420 524877272 /nfs/dbraw/zinc/87/72/72/524877272.db2.gz OVEZWBLBKDXTLC-OAQYLSRUSA-N 0 0 432.929 3.953 50 0 IHAARN C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 ZINC000022908295 524883199 /nfs/dbraw/zinc/88/31/99/524883199.db2.gz OWLAWQJLNWHFKW-PGRDOPGGSA-N 0 0 433.577 3.841 50 0 IHAARN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017010751 524888147 /nfs/dbraw/zinc/88/81/47/524888147.db2.gz ZPJNOEIIEUWERP-UHFFFAOYSA-N 0 0 438.553 3.812 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995506 524891474 /nfs/dbraw/zinc/89/14/74/524891474.db2.gz YNYXZLLIAAGUJB-UHFFFAOYSA-N 0 0 446.956 3.750 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 ZINC000012917456 524895356 /nfs/dbraw/zinc/89/53/56/524895356.db2.gz PYUODYAUSLLSQS-KRWDZBQOSA-N 0 0 426.332 3.992 50 0 IHAARN Cc1ccc(N(Cc2ccc(C(=O)NCCCOC(C)C)cc2)S(C)(=O)=O)cc1C ZINC000009891961 524900362 /nfs/dbraw/zinc/90/03/62/524900362.db2.gz MPBWZBINNNGJGX-UHFFFAOYSA-N 0 0 432.586 3.815 50 0 IHAARN COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033268620 524935386 /nfs/dbraw/zinc/93/53/86/524935386.db2.gz NMPFLPILWXZSQV-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000009450715 524974085 /nfs/dbraw/zinc/97/40/85/524974085.db2.gz VUSMUHSEZZCBFL-IBGZPJMESA-N 0 0 446.956 3.860 50 0 IHAARN COc1ccc(OCc2noc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000022189461 524978111 /nfs/dbraw/zinc/97/81/11/524978111.db2.gz DETKBLKILBYAEB-UHFFFAOYSA-N 0 0 448.445 3.998 50 0 IHAARN Cc1ccc(N2C[C@H](NC(=O)N3CCn4cccc4[C@H]3c3ccccc3F)CC2=O)cc1 ZINC000012361885 524986314 /nfs/dbraw/zinc/98/63/14/524986314.db2.gz KWTOAWSCGSSQQM-HOYKHHGWSA-N 0 0 432.499 3.856 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1C ZINC000020604314 525005325 /nfs/dbraw/zinc/00/53/25/525005325.db2.gz GWEGNEKQYRMDPQ-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1I ZINC000012903829 525035637 /nfs/dbraw/zinc/03/56/37/525035637.db2.gz VZEBYHDIEDOJKP-UHFFFAOYSA-N 0 0 428.295 3.810 50 0 IHAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)nc(C(C)C)n1 ZINC000012791101 525084304 /nfs/dbraw/zinc/08/43/04/525084304.db2.gz DBAZFNZWCZDFFW-MRXNPFEDSA-N 0 0 446.393 3.820 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl ZINC000021329078 525102226 /nfs/dbraw/zinc/10/22/26/525102226.db2.gz UDZFRTMLKIWKMH-CMJOXMDJSA-N 0 0 425.916 3.691 50 0 IHAARN Cc1ccccc1CNC(=O)C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021651167 525154933 /nfs/dbraw/zinc/15/49/33/525154933.db2.gz LOSHHUWNRCHRNN-HKBQPEDESA-N 0 0 432.549 3.537 50 0 IHAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 ZINC000009661096 525163397 /nfs/dbraw/zinc/16/33/97/525163397.db2.gz XIKJEHPRNGBUKE-UHFFFAOYSA-N 0 0 427.443 3.630 50 0 IHAARN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccc(Cl)c1 ZINC000012865465 525172373 /nfs/dbraw/zinc/17/23/73/525172373.db2.gz FDTGKMWGBHGXON-GFCCVEGCSA-N 0 0 448.397 3.832 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000033124942 525193300 /nfs/dbraw/zinc/19/33/00/525193300.db2.gz BODPTOPBSLBTOF-CYBMUJFWSA-N 0 0 446.276 3.849 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000012935165 525210511 /nfs/dbraw/zinc/21/05/11/525210511.db2.gz QZLRHCBWXFMNOZ-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Br)cc2)no1 ZINC000012028749 525229602 /nfs/dbraw/zinc/22/96/02/525229602.db2.gz DOBHDHJUSCXADG-KRWDZBQOSA-N 0 0 428.286 3.725 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000001062929 525240638 /nfs/dbraw/zinc/24/06/38/525240638.db2.gz BHXRRDHXJFDYJH-UHFFFAOYSA-N 0 0 426.590 3.891 50 0 IHAARN C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O ZINC000012790506 525241319 /nfs/dbraw/zinc/24/13/19/525241319.db2.gz IASAKCSNRYMSDT-DYESRHJHSA-N 0 0 438.858 3.918 50 0 IHAARN CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc(F)cc2F)O3)cc1 ZINC000012100250 525242069 /nfs/dbraw/zinc/24/20/69/525242069.db2.gz KCXVOENMJREDKD-GOSISDBHSA-N 0 0 443.471 3.769 50 0 IHAARN Cc1cc(NC(=O)c2ccc[nH]c2=S)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012794889 525249906 /nfs/dbraw/zinc/24/99/06/525249906.db2.gz IPKIRZHCSDKUIV-UHFFFAOYSA-N 0 0 441.534 3.961 50 0 IHAARN COc1ccc([C@@]2(CC(=O)NC[C@@H](C)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012097741 525285103 /nfs/dbraw/zinc/28/51/03/525285103.db2.gz LLQUHOVKFXQPIY-XHCCPWGMSA-N 0 0 448.563 3.945 50 0 IHAARN CSCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000012386778 525368332 /nfs/dbraw/zinc/36/83/32/525368332.db2.gz GNRZJJLZVHELAW-UHFFFAOYSA-N 0 0 426.582 3.782 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067843 525395480 /nfs/dbraw/zinc/39/54/80/525395480.db2.gz NWEWACSUGKMQDF-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(C)s1 ZINC000023437668 525398233 /nfs/dbraw/zinc/39/82/33/525398233.db2.gz VNJPMOLQNJVCSJ-UHFFFAOYSA-N 0 0 433.624 3.995 50 0 IHAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1OC(F)F ZINC000012609182 525430563 /nfs/dbraw/zinc/43/05/63/525430563.db2.gz SBQNMJOQFYBBTE-NRFANRHFSA-N 0 0 447.482 3.585 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012781069 525440774 /nfs/dbraw/zinc/44/07/74/525440774.db2.gz YCSYZWUOQSSMMH-INIZCTEOSA-N 0 0 440.521 3.689 50 0 IHAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000021804402 525449803 /nfs/dbraw/zinc/44/98/03/525449803.db2.gz SSBKKFSYDKYPBM-UHFFFAOYSA-N 0 0 442.932 3.624 50 0 IHAARN Cc1nc2[nH]c(NCc3ccccc3)nn2c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000021803967 525450921 /nfs/dbraw/zinc/45/09/21/525450921.db2.gz JEYVRVGMRQXFLJ-UHFFFAOYSA-N 0 0 436.903 3.563 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(C)n2)cc1 ZINC000012225129 525472345 /nfs/dbraw/zinc/47/23/45/525472345.db2.gz SVYKRAUYUPZCDZ-UHFFFAOYSA-N 0 0 438.553 3.705 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000022192230 525493276 /nfs/dbraw/zinc/49/32/76/525493276.db2.gz UIIQUJGBAOURBZ-UHFFFAOYSA-N 0 0 443.550 3.556 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn32)cc1 ZINC000012520764 525494403 /nfs/dbraw/zinc/49/44/03/525494403.db2.gz AHJXLVVVKZDLMN-UHFFFAOYSA-N 0 0 448.548 3.877 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N3CCc4cc(OC)c(OC)cc4C3)c(=O)oc2c1 ZINC000012902395 525497095 /nfs/dbraw/zinc/49/70/95/525497095.db2.gz PHAHQPQJXCESFR-UHFFFAOYSA-N 0 0 437.492 3.645 50 0 biogenic IHAARN Cc1n[nH]cc1CCCNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000012576015 525501592 /nfs/dbraw/zinc/50/15/92/525501592.db2.gz UBJQONGDVZTOAP-OAHLLOKOSA-N 0 0 440.617 3.725 50 0 IHAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccccc3)CC1)=Nc1ccccc1O2 ZINC000034814648 525508447 /nfs/dbraw/zinc/50/84/47/525508447.db2.gz WWMMOKFPZCKEBW-UHFFFAOYSA-N 0 0 449.532 3.886 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cc(-c4cccs4)on3)CC2)cc1 ZINC000015755808 525520955 /nfs/dbraw/zinc/52/09/55/525520955.db2.gz AJZQKGBYCPZKEP-UHFFFAOYSA-N 0 0 446.550 3.856 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)c2oc1-c1ccccc1 ZINC000012796709 525521833 /nfs/dbraw/zinc/52/18/33/525521833.db2.gz SZDBGCALJFGHGH-HDICACEKSA-N 0 0 434.536 3.998 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)c1 ZINC000035596946 525530960 /nfs/dbraw/zinc/53/09/60/525530960.db2.gz FSONELVFOLIXPH-QGZVFWFLSA-N 0 0 441.509 3.650 50 0 IHAARN COc1ccc2c(c1)OCC(/C=C1\N=C(c3ccc(OC(F)F)c(OC)c3)OC1=O)=C2 ZINC000012923469 525556113 /nfs/dbraw/zinc/55/61/13/525556113.db2.gz YBJNUGSRJJPHBA-PXNMLYILSA-N 0 0 429.375 3.969 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000035512814 525563782 /nfs/dbraw/zinc/56/37/82/525563782.db2.gz AIONTNZLOYHUOT-UHFFFAOYSA-N 0 0 431.945 3.713 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012873662 525565929 /nfs/dbraw/zinc/56/59/29/525565929.db2.gz JYSFQCXKHHKMKA-UHFFFAOYSA-N 0 0 443.594 3.679 50 0 IHAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2cccc(F)c12 ZINC000012899505 525581384 /nfs/dbraw/zinc/58/13/84/525581384.db2.gz HYCCMYNQKMPMIP-UHFFFAOYSA-N 0 0 436.505 3.635 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1cc(C)cc(C)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535226 525604451 /nfs/dbraw/zinc/60/44/51/525604451.db2.gz LIYPPHZYFZZSQO-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN C[C@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012550789 525656386 /nfs/dbraw/zinc/65/63/86/525656386.db2.gz MVAIBKXAZYUAQM-SFHVURJKSA-N 0 0 444.601 3.612 50 0 IHAARN Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2cc1C ZINC000033005482 525670749 /nfs/dbraw/zinc/67/07/49/525670749.db2.gz CITHAUDFMFSTTE-UHFFFAOYSA-N 0 0 438.959 3.714 50 0 IHAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3ccccc3)cc(=O)n2o1 ZINC000035378631 525672254 /nfs/dbraw/zinc/67/22/54/525672254.db2.gz UVHFMXNHJRJDIV-UHFFFAOYSA-N 0 0 439.855 3.846 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041085693 525674079 /nfs/dbraw/zinc/67/40/79/525674079.db2.gz YYQGXGMCCBAWAS-UHFFFAOYSA-N 0 0 439.855 3.846 50 0 IHAARN COc1cccc(-n2ccn3c(SCC(=O)c4c(C)[nH]c5ccccc54)nnc3c2=O)c1 ZINC000035447924 525753842 /nfs/dbraw/zinc/75/38/42/525753842.db2.gz LZZBYDUWXHZNSV-UHFFFAOYSA-N 0 0 445.504 3.654 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000021938811 525770213 /nfs/dbraw/zinc/77/02/13/525770213.db2.gz JKQZDZRQZIZDQS-UHFFFAOYSA-N 0 0 446.960 3.679 50 0 IHAARN Cc1ccc([C@@H](NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000057383272 525772764 /nfs/dbraw/zinc/77/27/64/525772764.db2.gz YXDDXHUACXORDP-RSXGOPAZSA-N 0 0 448.588 3.894 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000015669391 525787750 /nfs/dbraw/zinc/78/77/50/525787750.db2.gz OKVHKIYIYHFBLB-UHFFFAOYSA-N 0 0 431.464 3.703 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSCc2ccc(Cl)cc2)C1=O ZINC000018197829 525828776 /nfs/dbraw/zinc/82/87/76/525828776.db2.gz QNOYKNVQTIUMJU-NRFANRHFSA-N 0 0 431.945 3.548 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1OC ZINC000021794471 525834040 /nfs/dbraw/zinc/83/40/40/525834040.db2.gz MWNOVBBWUXCIDA-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)o2)cc1C ZINC000012886719 525856203 /nfs/dbraw/zinc/85/62/03/525856203.db2.gz NYUKQPNXHHJQSD-UHFFFAOYSA-N 0 0 444.601 3.597 50 0 IHAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4nccs4)n3)o2)cc1 ZINC000021721570 525857129 /nfs/dbraw/zinc/85/71/29/525857129.db2.gz OAQZUKJEPUGRRP-UHFFFAOYSA-N 0 0 428.499 3.748 50 0 IHAARN COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)C2)c1 ZINC000012099335 525877205 /nfs/dbraw/zinc/87/72/05/525877205.db2.gz HKOAFLWBDPITQA-WZONZLPQSA-N 0 0 426.488 3.839 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(Cc4nc(-c5ccc(C)cc5)no4)CC3)n2)cc1 ZINC000022942778 525880469 /nfs/dbraw/zinc/88/04/69/525880469.db2.gz SDKAWVHEDICGKX-UHFFFAOYSA-N 0 0 430.512 3.721 50 0 IHAARN C[C@H](OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000021461603 525884913 /nfs/dbraw/zinc/88/49/13/525884913.db2.gz DXMBFWCGLNEZQV-JTQLQIEISA-N 0 0 437.308 3.994 50 0 IHAARN Cc1ccc(-n2c(SCc3nccn3Cc3ccccc3)nnc2N2CCOCC2)cc1 ZINC000040067321 525901061 /nfs/dbraw/zinc/90/10/61/525901061.db2.gz YYHQXJJVHIEGPV-UHFFFAOYSA-N 0 0 446.580 3.949 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)NCc4cccnc4)c(C)c32)c1 ZINC000012247469 525903008 /nfs/dbraw/zinc/90/30/08/525903008.db2.gz AORDNSWTXFKSDQ-UHFFFAOYSA-N 0 0 433.537 3.988 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)c1 ZINC000008590962 534890452 /nfs/dbraw/zinc/89/04/52/534890452.db2.gz UESZMNJGWRXXDH-UHFFFAOYSA-N 0 0 432.528 3.610 50 0 IHAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)N2CCc4ccccc42)nc3C2CC2)c(C)c1 ZINC000022768151 525932782 /nfs/dbraw/zinc/93/27/82/525932782.db2.gz SMDZSSMMBFDFQJ-UHFFFAOYSA-N 0 0 439.519 3.666 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(OC(C)C)cc4)no2)c3=O)cc1 ZINC000033293061 525934212 /nfs/dbraw/zinc/93/42/12/525934212.db2.gz YUEKJDHCFHSMHN-UHFFFAOYSA-N 0 0 442.479 3.776 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036001997 525935123 /nfs/dbraw/zinc/93/51/23/525935123.db2.gz JIEDVRPVWSQRFD-UHFFFAOYSA-N 0 0 444.514 3.924 50 0 IHAARN Cc1ccc([C@H](CC(=O)N2CCN(c3ccccn3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530719 525952097 /nfs/dbraw/zinc/95/20/97/525952097.db2.gz OLIFDVWZFSVACO-DEOSSOPVSA-N 0 0 440.547 3.826 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 ZINC000012443597 525958286 /nfs/dbraw/zinc/95/82/86/525958286.db2.gz IBRQJIJMWHNHTG-MHWRWJLKSA-N 0 0 426.567 3.636 50 0 IHAARN COc1cccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000035531498 525963690 /nfs/dbraw/zinc/96/36/90/525963690.db2.gz OFANQWLHBRTJIW-UHFFFAOYSA-N 0 0 444.597 3.728 50 0 IHAARN CSc1ccc(CCNC(=O)CN2c3ccccc3-n3cccc3SCC2=O)cc1 ZINC000021088729 525984455 /nfs/dbraw/zinc/98/44/55/525984455.db2.gz ZNUOEKUSOQCGOW-UHFFFAOYSA-N 0 0 437.590 3.997 50 0 IHAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000012740072 525989281 /nfs/dbraw/zinc/98/92/81/525989281.db2.gz OPIZOQKAEYWMIP-UHFFFAOYSA-N 0 0 434.319 3.547 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000022358706 526000697 /nfs/dbraw/zinc/00/06/97/526000697.db2.gz HCPHOEJSEQNLGZ-GOSISDBHSA-N 0 0 440.613 3.949 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000022358708 526001086 /nfs/dbraw/zinc/00/10/86/526001086.db2.gz HCPHOEJSEQNLGZ-SFHVURJKSA-N 0 0 440.613 3.949 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000012512397 526012978 /nfs/dbraw/zinc/01/29/78/526012978.db2.gz KKKCJSIQZGOHHW-WBVHZDCISA-N 0 0 428.583 3.695 50 0 IHAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000024719958 526014610 /nfs/dbraw/zinc/01/46/10/526014610.db2.gz LGYWTIPIYSLHPT-GFCCVEGCSA-N 0 0 445.595 3.720 50 0 IHAARN COc1cccc(CNc2ncnc3sc(C(=O)NC[C@@H]4CCCO4)c(C)c32)c1OC ZINC000012281295 526047315 /nfs/dbraw/zinc/04/73/15/526047315.db2.gz MBOIXLGLQSRBST-HNNXBMFYSA-N 0 0 442.541 3.538 50 0 IHAARN C[C@H](C(=O)NCCCN1CCOCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000021349285 526047250 /nfs/dbraw/zinc/04/72/50/526047250.db2.gz SCNMUMOLIVDPMJ-QGZVFWFLSA-N 0 0 426.948 3.756 50 0 IHAARN COc1cccc(COC(=O)c2ccc(-n3nnnc3Cc3cccc(OC)c3)cc2)c1 ZINC000012371575 526049067 /nfs/dbraw/zinc/04/90/67/526049067.db2.gz ARMVVQPTHPIJLT-UHFFFAOYSA-N 0 0 430.464 3.627 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c1 ZINC000013018571 534901143 /nfs/dbraw/zinc/90/11/43/534901143.db2.gz RTUYNJNGNCHULV-UHFFFAOYSA-N 0 0 440.565 3.578 50 0 IHAARN C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012871502 526080893 /nfs/dbraw/zinc/08/08/93/526080893.db2.gz JOSULUIIEXCLMW-AWEZNQCLSA-N 0 0 432.450 3.579 50 0 IHAARN COc1cccc(Cc2cnc(NC(=O)Cc3ccc(OC)c(OC)c3OC)s2)c1 ZINC000012913903 526085183 /nfs/dbraw/zinc/08/51/83/526085183.db2.gz CKPXUIYZBZQJPQ-UHFFFAOYSA-N 0 0 428.510 3.950 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937476 526085782 /nfs/dbraw/zinc/08/57/82/526085782.db2.gz KCPUESLUEPXZHX-GOSISDBHSA-N 0 0 425.554 3.693 50 0 IHAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(F)cc4)no3)cn(CC(=O)NC3CCCC3)c2n1 ZINC000033284180 526114734 /nfs/dbraw/zinc/11/47/34/526114734.db2.gz NMVFZSCOJHXBBM-UHFFFAOYSA-N 0 0 447.470 3.620 50 0 IHAARN COc1cccc(N(CC(=O)N2CCc3ccccc32)CC(=O)N2CCc3ccccc32)c1 ZINC000012539106 526134444 /nfs/dbraw/zinc/13/44/44/526134444.db2.gz KJMUKCSFZREDPA-UHFFFAOYSA-N 0 0 441.531 3.680 50 0 IHAARN Cc1cc(=O)n2nc(-c3cccs3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021803027 526143229 /nfs/dbraw/zinc/14/32/29/526143229.db2.gz RCBCABCWIDYUAY-UHFFFAOYSA-N 0 0 433.415 3.585 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3c4ccccc4nc3SC(F)F)CC2)c1 ZINC000024576086 526147758 /nfs/dbraw/zinc/14/77/58/526147758.db2.gz CWNHCHXATGFUGE-UHFFFAOYSA-N 0 0 432.496 3.708 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 ZINC000012921065 526166578 /nfs/dbraw/zinc/16/65/78/526166578.db2.gz UZYYKXQCWCPLPB-UHFFFAOYSA-N 0 0 431.377 3.858 50 0 IHAARN COc1cccc(NC(=O)CCCc2nnc3c(=O)n(-c4ccc(Cl)cc4)ccn23)c1 ZINC000021640631 526169806 /nfs/dbraw/zinc/16/98/06/526169806.db2.gz GIMBWBRJZJRYBD-UHFFFAOYSA-N 0 0 437.887 3.504 50 0 IHAARN COc1cccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000021763098 526175782 /nfs/dbraw/zinc/17/57/82/526175782.db2.gz FDKMMVGEIGLELI-UHFFFAOYSA-N 0 0 437.418 3.507 50 0 IHAARN COc1cccc(OC)c1C(=O)N1[C@@H](C(=O)Nc2ccccc2F)COC12CCCCC2 ZINC000034920869 526216398 /nfs/dbraw/zinc/21/63/98/526216398.db2.gz ZDSAQKLIOBTMFS-GOSISDBHSA-N 0 0 442.487 3.983 50 0 IHAARN C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000012851339 526228598 /nfs/dbraw/zinc/22/85/98/526228598.db2.gz XOWPDZVOYUWAEO-QGZVFWFLSA-N 0 0 433.474 3.982 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)c4cccc(F)c4)s3)cc(=O)n2c1 ZINC000021099375 526251277 /nfs/dbraw/zinc/25/12/77/526251277.db2.gz QYZTZDDFHNOWAZ-UHFFFAOYSA-N 0 0 427.486 3.538 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012769145 526261230 /nfs/dbraw/zinc/26/12/30/526261230.db2.gz WJCBDDLUXNNNMU-KBXCAEBGSA-N 0 0 448.507 3.681 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1cccs1 ZINC000035672472 526271623 /nfs/dbraw/zinc/27/16/23/526271623.db2.gz WMZWJYHVWBXWSF-UHFFFAOYSA-N 0 0 429.519 3.684 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000022870974 526295833 /nfs/dbraw/zinc/29/58/33/526295833.db2.gz RJSLVSSUUAQGFG-UHFFFAOYSA-N 0 0 441.900 3.693 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012902623 526296578 /nfs/dbraw/zinc/29/65/78/526296578.db2.gz OZJMJKKWOVGHEY-UHFFFAOYSA-N 0 0 435.915 3.710 50 0 IHAARN Cc1nn([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466910 526304986 /nfs/dbraw/zinc/30/49/86/526304986.db2.gz PNPOWQMBTCWVGF-GOSISDBHSA-N 0 0 446.576 3.825 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 ZINC000012766657 526305396 /nfs/dbraw/zinc/30/53/96/526305396.db2.gz NSTRPTSTUQQZOQ-MRXNPFEDSA-N 0 0 444.944 3.882 50 0 IHAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000018147753 526306660 /nfs/dbraw/zinc/30/66/60/526306660.db2.gz QGTUTXPODMWMCD-UHFFFAOYSA-N 0 0 438.519 3.723 50 0 IHAARN O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020996233 526308235 /nfs/dbraw/zinc/30/82/35/526308235.db2.gz WGDYTDCKNUOKNW-UHFFFAOYSA-N 0 0 441.988 3.910 50 0 IHAARN O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000020509459 526324356 /nfs/dbraw/zinc/32/43/56/526324356.db2.gz CKSUXBDSEFTLTP-UHFFFAOYSA-N 0 0 432.524 3.795 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000022039673 526387641 /nfs/dbraw/zinc/38/76/41/526387641.db2.gz UAGWNPREHFTTTI-UHFFFAOYSA-N 0 0 428.828 3.868 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000012390980 526395256 /nfs/dbraw/zinc/39/52/56/526395256.db2.gz YTTPFEIRXSELCI-UHFFFAOYSA-N 0 0 433.533 3.619 50 0 IHAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(-n2cnnn2)cc1 ZINC000021228871 526423987 /nfs/dbraw/zinc/42/39/87/526423987.db2.gz WIITUHBJCXBJTJ-QHCPKHFHSA-N 0 0 432.411 3.766 50 0 IHAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc2c1CCCC2 ZINC000012749448 526424535 /nfs/dbraw/zinc/42/45/35/526424535.db2.gz QOZUJEPBHZFQIU-UHFFFAOYSA-N 0 0 425.554 3.803 50 0 IHAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000021863963 526424566 /nfs/dbraw/zinc/42/45/66/526424566.db2.gz ZDGQHRBSZVSIIB-INIZCTEOSA-N 0 0 433.863 3.846 50 0 IHAARN O=C(OCc1ccccc1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012696609 526427344 /nfs/dbraw/zinc/42/73/44/526427344.db2.gz KOLLUXQHSAFZLB-AREMUKBSSA-N 0 0 426.472 3.909 50 0 IHAARN O=C(OCc1nc2ccccc2c(=O)n1Cc1ccco1)c1c[nH]nc1-c1ccccc1 ZINC000012795596 526431258 /nfs/dbraw/zinc/43/12/58/526431258.db2.gz IMUZAUHTUSXRPP-UHFFFAOYSA-N 0 0 426.432 3.785 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000012556745 526432956 /nfs/dbraw/zinc/43/29/56/526432956.db2.gz OJXWIDRZTLPCMI-UHFFFAOYSA-N 0 0 431.496 3.585 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012598939 526433439 /nfs/dbraw/zinc/43/34/39/526433439.db2.gz PPMMNDJGBSCOIR-UHFFFAOYSA-N 0 0 440.569 3.647 50 0 IHAARN O=C(CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)NCCc1c[nH]c2ccccc12 ZINC000012296444 526435727 /nfs/dbraw/zinc/43/57/27/526435727.db2.gz QNJFNNWYEPHVME-UHFFFAOYSA-N 0 0 443.551 3.856 50 0 biogenic IHAARN O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cccc(C2SCCS2)c1 ZINC000012794657 526513586 /nfs/dbraw/zinc/51/35/86/526513586.db2.gz PJOKIWRWSPWKPS-UHFFFAOYSA-N 0 0 426.560 3.611 50 0 IHAARN O=C([C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1)N1CCOCC1 ZINC000017542710 526522823 /nfs/dbraw/zinc/52/28/23/526522823.db2.gz DSMGMLIQCNGTOX-GOSISDBHSA-N 0 0 441.578 3.556 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2)no1 ZINC000035556593 526575566 /nfs/dbraw/zinc/57/55/66/526575566.db2.gz AOGYUHGYYNGKBN-UHFFFAOYSA-N 0 0 427.302 3.770 50 0 IHAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NCc1ccccc1OC(F)(F)F ZINC000012217406 526576546 /nfs/dbraw/zinc/57/65/46/526576546.db2.gz XOBDDCBDENFYPF-LJQANCHMSA-N 0 0 426.460 3.935 50 0 IHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023561514 526578659 /nfs/dbraw/zinc/57/86/59/526578659.db2.gz DAYHRGXUJFRCAQ-XMMPIXPASA-N 0 0 434.515 3.692 50 0 IHAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000017169803 526580592 /nfs/dbraw/zinc/58/05/92/526580592.db2.gz LWCXCUDFXWNUIJ-LJQANCHMSA-N 0 0 433.869 3.607 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000012453886 526599477 /nfs/dbraw/zinc/59/94/77/526599477.db2.gz QIWRNXMSDDRWGX-UHFFFAOYSA-N 0 0 446.434 3.930 50 0 IHAARN O=C(CCc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001126174 526608560 /nfs/dbraw/zinc/60/85/60/526608560.db2.gz OSQYWIUCLNFFMI-UHFFFAOYSA-N 0 0 437.487 3.988 50 0 aggregator IHAARN Cc1nc(-c2csc(S(=O)(=O)N3CCCCC3)c2)sc1C(=O)N1CCCCC1 ZINC000035461627 526623103 /nfs/dbraw/zinc/62/31/03/526623103.db2.gz WWUAEITVUDZIOY-UHFFFAOYSA-N 0 0 439.628 3.981 50 0 IHAARN Cc1noc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)n1 ZINC000023200287 526623300 /nfs/dbraw/zinc/62/33/00/526623300.db2.gz YQEXKZXEFGVPQF-IBGZPJMESA-N 0 0 438.871 3.597 50 0 IHAARN O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000001055608 526635083 /nfs/dbraw/zinc/63/50/83/526635083.db2.gz INHUIKJPBMGQCQ-UHFFFAOYSA-N 0 0 431.261 3.657 50 0 IHAARN O=C(c1cc2cc(Cl)ccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009666029 526635129 /nfs/dbraw/zinc/63/51/29/526635129.db2.gz BLPSQAJFRQFOSG-UHFFFAOYSA-N 0 0 436.892 3.762 50 0 IHAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012907758 526652299 /nfs/dbraw/zinc/65/22/99/526652299.db2.gz WOGXEBBEFUFSOF-UHFFFAOYSA-N 0 0 448.903 3.886 50 0 IHAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCOc1ccc(Cl)cc1 ZINC000012775298 526654887 /nfs/dbraw/zinc/65/48/87/526654887.db2.gz PSCPNIWDVVVFGT-UHFFFAOYSA-N 0 0 431.945 3.645 50 0 IHAARN Cc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nn1-c1ccc(F)cc1 ZINC000012783338 526658526 /nfs/dbraw/zinc/65/85/26/526658526.db2.gz AYNWMEPFJTWFNZ-AWEZNQCLSA-N 0 0 438.459 3.738 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)Nc1ccc(F)c(F)c1 ZINC000015776467 526665042 /nfs/dbraw/zinc/66/50/42/526665042.db2.gz GWBOCCFLBZMEER-UHFFFAOYSA-N 0 0 426.402 3.725 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034810782 526674847 /nfs/dbraw/zinc/67/48/47/526674847.db2.gz DIGFBMWZTGEEHP-UHFFFAOYSA-N 0 0 446.404 3.627 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000021273672 526698817 /nfs/dbraw/zinc/69/88/17/526698817.db2.gz YYCGBTMOGAGNNE-UHFFFAOYSA-N 0 0 445.343 3.946 50 0 IHAARN Cc1nonc1COc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000027913373 526703225 /nfs/dbraw/zinc/70/32/25/526703225.db2.gz OGINJFSYLXDFPI-UHFFFAOYSA-N 0 0 430.486 3.787 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000012920705 526712881 /nfs/dbraw/zinc/71/28/81/526712881.db2.gz XZDHCOHFNFVHAX-UHFFFAOYSA-N 0 0 432.370 3.717 50 0 IHAARN O=C(NCc1cccc(F)c1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049884 526719987 /nfs/dbraw/zinc/71/99/87/526719987.db2.gz CJIYFVNUSCUKAX-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000012873615 526726374 /nfs/dbraw/zinc/72/63/74/526726374.db2.gz RICOEODSLXBMGY-UHFFFAOYSA-N 0 0 439.892 3.534 50 0 IHAARN O=C(c1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)c2cc3c(cc2c1=O)OCO3 ZINC000012414860 526729438 /nfs/dbraw/zinc/72/94/38/526729438.db2.gz SMDOIQLVOVQVFH-UHFFFAOYSA-N 0 0 427.412 3.738 50 0 IHAARN O=C(c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)N1CCSc2ccccc21 ZINC000012545138 526729461 /nfs/dbraw/zinc/72/94/61/526729461.db2.gz HSKVIUAOQINCFI-UHFFFAOYSA-N 0 0 427.551 3.920 50 0 IHAARN Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2c(nc[nH]c2=O)n1C ZINC000012372650 526733161 /nfs/dbraw/zinc/73/31/61/526733161.db2.gz RDRGBCSDPFGTRN-UHFFFAOYSA-N 0 0 432.303 3.675 50 0 biogenic,in-vitro IHAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000022476230 526737970 /nfs/dbraw/zinc/73/79/70/526737970.db2.gz XSWGHKSIKVENFT-UHFFFAOYSA-N 0 0 427.526 3.860 50 0 IHAARN O=C(NCc1ccccc1F)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000012748913 526752761 /nfs/dbraw/zinc/75/27/61/526752761.db2.gz FFIUCHCCYUAVLB-XLIONFOSSA-N 0 0 449.345 3.795 50 0 IHAARN O=C(CN1CCN(C(=O)CCc2ccccc2F)CC1)Nc1ccccc1C(F)(F)F ZINC000012896577 526761119 /nfs/dbraw/zinc/76/11/19/526761119.db2.gz LLSDCWUBADEQSS-UHFFFAOYSA-N 0 0 437.437 3.560 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)Nc1cccc(F)c1 ZINC000012926168 526764755 /nfs/dbraw/zinc/76/47/55/526764755.db2.gz RYXAYIDXUFPWEI-UHFFFAOYSA-N 0 0 425.435 3.621 50 0 IHAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1ccc(Cl)cc1 ZINC000022912500 526773346 /nfs/dbraw/zinc/77/33/46/526773346.db2.gz TZTOPBNINQDSMQ-UHFFFAOYSA-N 0 0 442.810 3.598 50 0 IHAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)Nc1cccc2ncccc21 ZINC000022780744 526773355 /nfs/dbraw/zinc/77/33/55/526773355.db2.gz ADVPGUXYGHBYGD-UHFFFAOYSA-N 0 0 445.386 3.815 50 0 IHAARN O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1ccc(F)cc1F ZINC000022834137 526777641 /nfs/dbraw/zinc/77/76/41/526777641.db2.gz XLUGOJPDOHGIEX-UHFFFAOYSA-N 0 0 428.508 3.845 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000012924043 526801865 /nfs/dbraw/zinc/80/18/65/526801865.db2.gz CJZXHIIXUYGCDC-HXUWFJFHSA-N 0 0 440.503 3.797 50 0 IHAARN O=C(c1ccccc1F)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035990681 526805824 /nfs/dbraw/zinc/80/58/24/526805824.db2.gz ZMTPAVPBQDRPKB-UHFFFAOYSA-N 0 0 442.498 3.794 50 0 IHAARN Cc1occc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)CSc1ccccc1)C2 ZINC000012244529 526811083 /nfs/dbraw/zinc/81/10/83/526811083.db2.gz ARCXMALLDMHZHG-UHFFFAOYSA-N 0 0 435.549 3.898 50 0 IHAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000020574068 526829155 /nfs/dbraw/zinc/82/91/55/526829155.db2.gz CRFRYJRPPHSXPU-XMMPIXPASA-N 0 0 447.491 3.744 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000021533727 526829366 /nfs/dbraw/zinc/82/93/66/526829366.db2.gz GHGZCCRJKPDKKV-UHFFFAOYSA-N 0 0 428.448 3.595 50 0 IHAARN Cc1nc(CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)cs1 ZINC000012433271 526842032 /nfs/dbraw/zinc/84/20/32/526842032.db2.gz NZFNFVSJDLGTTA-UHFFFAOYSA-N 0 0 432.615 3.705 50 0 IHAARN O=C(CNC(=O)c1ccco1)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000020789699 526868564 /nfs/dbraw/zinc/86/85/64/526868564.db2.gz QBJZFUXBTBELSM-IBGZPJMESA-N 0 0 446.381 3.951 50 0 IHAARN Cc1sc2nc([C@@H](C)OC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C ZINC000009389737 526896739 /nfs/dbraw/zinc/89/67/39/526896739.db2.gz XWSBOGLQKHOVGB-CYBMUJFWSA-N 0 0 441.553 3.933 50 0 IHAARN O=C(c1noc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21)N1CCCC1 ZINC000021364208 526929783 /nfs/dbraw/zinc/92/97/83/526929783.db2.gz REESVFBGUSXNMY-UHFFFAOYSA-N 0 0 439.415 3.883 50 0 IHAARN Clc1ccc([C@H]2NC3=NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000020556168 526964667 /nfs/dbraw/zinc/96/46/67/526964667.db2.gz COOXSEQQDGJHAH-NRFANRHFSA-N 0 0 429.915 3.828 50 0 IHAARN O=C(COc1ncnc2ccccc21)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012387167 527003767 /nfs/dbraw/zinc/00/37/67/527003767.db2.gz LMUCIMIRFBOCLN-HXUWFJFHSA-N 0 0 435.434 3.666 50 0 IHAARN O=C1CSC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1c1ccc(F)cc1 ZINC000034927575 527017102 /nfs/dbraw/zinc/01/71/02/527017102.db2.gz AORSRGNAOQROBO-UHFFFAOYSA-N 0 0 440.949 3.740 50 0 IHAARN O=C1CSc2sc3c(ncn(C[C@H](c4ccc(Cl)cc4)N4CCCC4)c3=O)c2N1 ZINC000035671685 527018726 /nfs/dbraw/zinc/01/87/26/527018726.db2.gz JBVLSAIMNBYMSH-CQSZACIVSA-N 0 0 446.985 3.993 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000008741960 527039701 /nfs/dbraw/zinc/03/97/01/527039701.db2.gz SILXTCBIXUXNEX-HZPDHXFCSA-N 0 0 441.734 3.715 50 0 IHAARN Cn1c(C(=O)N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc2sccc21 ZINC000020383043 527041581 /nfs/dbraw/zinc/04/15/81/527041581.db2.gz MAFMMASVDMAEEI-UHFFFAOYSA-N 0 0 434.565 3.932 50 0 IHAARN Cn1c(CCNC(=O)CSc2ccccn2)nnc1SCc1cccc(Cl)c1 ZINC000012247395 527049456 /nfs/dbraw/zinc/04/94/56/527049456.db2.gz DWCGNVVRTJGZOD-UHFFFAOYSA-N 0 0 433.990 3.607 50 0 IHAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2)Nc1ccc(F)c(F)c1 ZINC000012415607 527057361 /nfs/dbraw/zinc/05/73/61/527057361.db2.gz RDXPOXVPJOZDCF-UHFFFAOYSA-N 0 0 442.491 3.750 50 0 IHAARN O=C(CSc1ncnc2nc(N3CCSCC3)sc21)Nc1ccc2c(c1)CCC2 ZINC000035483718 527073964 /nfs/dbraw/zinc/07/39/64/527073964.db2.gz ZCXUSXSUICLETH-UHFFFAOYSA-N 0 0 443.623 3.859 50 0 IHAARN O=C(CSc1nn2c(nnc(Cc3ccccc3)c2=O)s1)Nc1ccccc1Cl ZINC000021782592 527075385 /nfs/dbraw/zinc/07/53/85/527075385.db2.gz LLGKLESNKYNTHQ-UHFFFAOYSA-N 0 0 443.941 3.521 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032559088 527080552 /nfs/dbraw/zinc/08/05/52/527080552.db2.gz QPDDATZNCGMYRV-KRWDZBQOSA-N 0 0 438.509 3.749 50 0 IHAARN Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1[C@@H]1COc2ccccc2O1 ZINC000024630756 527080760 /nfs/dbraw/zinc/08/07/60/527080760.db2.gz MERHYVBSOJLINH-PBHICJAKSA-N 0 0 442.566 3.845 50 0 IHAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000012870058 527087412 /nfs/dbraw/zinc/08/74/12/527087412.db2.gz IUTMXAMKFLCQOP-BTYIYWSLSA-N 0 0 435.307 3.517 50 0 IHAARN Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1F)CCN(Cc1ccccc1)C2 ZINC000035456231 527095311 /nfs/dbraw/zinc/09/53/11/527095311.db2.gz UYCAHEFATNTEFY-UHFFFAOYSA-N 0 0 440.906 3.541 50 0 IHAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012789430 527095410 /nfs/dbraw/zinc/09/54/10/527095410.db2.gz KGNVUPPQUCVTDI-AZUAARDMSA-N 0 0 443.960 3.503 50 0 IHAARN Cn1c2cc(S(=O)(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)ccc2oc1=O ZINC000012428026 527096614 /nfs/dbraw/zinc/09/66/14/527096614.db2.gz KHTMBPXFFKJVFF-UHFFFAOYSA-N 0 0 426.498 3.787 50 0 IHAARN Cn1c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc2c(=O)n(C)c1=O ZINC000012428035 527097853 /nfs/dbraw/zinc/09/78/53/527097853.db2.gz SQFVCQRYQJBTFZ-UHFFFAOYSA-N 0 0 425.444 3.903 50 0 IHAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1c(F)cccc1F ZINC000015391045 527110366 /nfs/dbraw/zinc/11/03/66/527110366.db2.gz OZNVMCFLYBNBSC-HNNXBMFYSA-N 0 0 442.915 3.868 50 0 IHAARN Cc1nc2cc(C(=O)N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 ZINC000089721631 527117346 /nfs/dbraw/zinc/11/73/46/527117346.db2.gz RWOAFUWTAXCTIQ-XXBNENTESA-N 0 0 428.536 3.949 50 0 IHAARN O=C1c2cccc(N3CCN(Cc4ccco4)CC3)c2C(=O)N1CCc1ccccc1F ZINC000012510560 527126504 /nfs/dbraw/zinc/12/65/04/527126504.db2.gz UOAPRZNWGSDGSC-UHFFFAOYSA-N 0 0 433.483 3.580 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc2ccccc2oc1=O ZINC000012555236 527130653 /nfs/dbraw/zinc/13/06/53/527130653.db2.gz VPISUBXGIRQQGO-UHFFFAOYSA-N 0 0 446.912 3.873 50 0 IHAARN Cn1cc(-c2ccccc2CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cn1 ZINC000089756591 527135411 /nfs/dbraw/zinc/13/54/11/527135411.db2.gz CASGJDWOWSFXGV-UHFFFAOYSA-N 0 0 435.505 3.584 50 0 IHAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)nc1 ZINC000012902431 527153323 /nfs/dbraw/zinc/15/33/23/527153323.db2.gz IKWNDOAHJGIJSK-UHFFFAOYSA-N 0 0 430.224 3.952 50 0 IHAARN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898305 527154792 /nfs/dbraw/zinc/15/47/92/527154792.db2.gz NZMLGCNWCHVHHK-UHFFFAOYSA-N 0 0 437.359 3.630 50 0 IHAARN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000042380082 527156665 /nfs/dbraw/zinc/15/66/65/527156665.db2.gz USAZWGMMUNITGE-NCUBBLFSSA-N 0 0 439.493 3.645 50 0 IHAARN Cc1nc2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)nn2c(C)c1Cl ZINC000033014243 527200377 /nfs/dbraw/zinc/20/03/77/527200377.db2.gz CJSGPEFNARZCAJ-UHFFFAOYSA-N 0 0 427.917 3.790 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1nnc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000023004371 527205052 /nfs/dbraw/zinc/20/50/52/527205052.db2.gz BXCDVWSJXVTNLJ-OAHLLOKOSA-N 0 0 439.516 3.780 50 0 IHAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000042382822 527225643 /nfs/dbraw/zinc/22/56/43/527225643.db2.gz SXJMBVSJNIGPIS-UHFFFAOYSA-N 0 0 435.553 3.839 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034667723 527226966 /nfs/dbraw/zinc/22/69/66/527226966.db2.gz VKELADCSXBOPCR-UHFFFAOYSA-N 0 0 444.413 3.908 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398335 527229991 /nfs/dbraw/zinc/22/99/91/527229991.db2.gz DRZCGJASPCEGPY-UHFFFAOYSA-N 0 0 443.551 3.835 50 0 IHAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977599 527231729 /nfs/dbraw/zinc/23/17/29/527231729.db2.gz KWQRYNJGEYDDNO-UHFFFAOYSA-N 0 0 432.401 3.629 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104065 527284381 /nfs/dbraw/zinc/28/43/81/527284381.db2.gz WBULFSMRDLJDNB-UHFFFAOYSA-N 0 0 447.470 3.752 50 0 IHAARN O=S(=O)(c1ccccc1F)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000021869532 527289760 /nfs/dbraw/zinc/28/97/60/527289760.db2.gz SHXNJFUKMIYMEW-UHFFFAOYSA-N 0 0 437.846 3.794 50 0 IHAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000021780263 527290346 /nfs/dbraw/zinc/29/03/46/527290346.db2.gz FACOVMQEHMSZSL-UHFFFAOYSA-N 0 0 426.929 3.652 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466567 527324629 /nfs/dbraw/zinc/32/46/29/527324629.db2.gz QAHHGEKQLFMICW-LBPRGKRZSA-N 0 0 449.779 3.956 50 0 IHAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccc(N2CCOCC2)nc1 ZINC000012224510 527347846 /nfs/dbraw/zinc/34/78/46/527347846.db2.gz KVSZFRGBVNQNOT-UHFFFAOYSA-N 0 0 426.520 3.856 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1C(F)(F)F ZINC000012237695 527398788 /nfs/dbraw/zinc/39/87/88/527398788.db2.gz SKYSEEJDVOWNJG-UHFFFAOYSA-N 0 0 447.804 3.893 50 0 IHAARN O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1ccc(Br)cc1 ZINC000033299952 527399311 /nfs/dbraw/zinc/39/93/11/527399311.db2.gz NVGZGRMHKMLSON-UHFFFAOYSA-N 0 0 441.310 3.921 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N(Cc1ccccc1)c1ccccc1 ZINC000020607485 527399721 /nfs/dbraw/zinc/39/97/21/527399721.db2.gz MQIVBBGYKQYACZ-UHFFFAOYSA-N 0 0 435.487 3.816 50 0 IHAARN O=c1c(Cl)c(N2CCN(Cc3ccc4ccccc4n3)CC2)cnn1-c1ccccc1 ZINC000057286259 527450324 /nfs/dbraw/zinc/45/03/24/527450324.db2.gz FWZBJZCUPCZNKS-UHFFFAOYSA-N 0 0 431.927 3.756 50 0 IHAARN O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1nc(-c2ccccc2)no1 ZINC000020562644 527464457 /nfs/dbraw/zinc/46/44/57/527464457.db2.gz DPYXOJGBJRLICU-UHFFFAOYSA-N 0 0 444.878 3.963 50 0 IHAARN O=C(NC1CCCC1)[C@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 ZINC000022597773 527509308 /nfs/dbraw/zinc/50/93/08/527509308.db2.gz POEJNADHDKYUMS-FQEVSTJZSA-N 0 0 430.552 3.720 50 0 IHAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 ZINC000035480131 527514026 /nfs/dbraw/zinc/51/40/26/527514026.db2.gz SGJBCVKYJGBDSV-UHFFFAOYSA-N 0 0 425.554 3.843 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000020516786 527523118 /nfs/dbraw/zinc/52/31/18/527523118.db2.gz LFEYAARMGYBZPD-UHFFFAOYSA-N 0 0 443.507 3.537 50 0 IHAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000033115100 527557773 /nfs/dbraw/zinc/55/77/73/527557773.db2.gz VZCJTKVZXYBWDM-UHFFFAOYSA-N 0 0 434.515 3.879 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012468104 527635984 /nfs/dbraw/zinc/63/59/84/527635984.db2.gz CDYNYQKRVDTUKK-MSOLQXFVSA-N 0 0 432.450 3.824 50 0 IHAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccn2)CC1 ZINC000012788045 527646795 /nfs/dbraw/zinc/64/67/95/527646795.db2.gz IYGQKQNJIJYVIG-VAWYXSNFSA-N 0 0 436.519 3.691 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cc(C)cc(C)c1 ZINC000021882031 527655294 /nfs/dbraw/zinc/65/52/94/527655294.db2.gz LIJLAKBHMXEQFB-UHFFFAOYSA-N 0 0 444.532 3.627 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H](C)Cn3cc(Cl)cn3)c12 ZINC000036616499 527682691 /nfs/dbraw/zinc/68/26/91/527682691.db2.gz KTVZFWITPFKPHS-GFCCVEGCSA-N 0 0 428.949 3.921 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c12 ZINC000036616500 527682822 /nfs/dbraw/zinc/68/28/22/527682822.db2.gz KTVZFWITPFKPHS-LBPRGKRZSA-N 0 0 428.949 3.921 50 0 IHAARN CCc1ccccc1NC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013665196 535954036 /nfs/dbraw/zinc/95/40/36/535954036.db2.gz MJVUHYPFUHZQPK-UHFFFAOYSA-N 0 0 431.496 3.789 50 0 IHAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756709 536659020 /nfs/dbraw/zinc/65/90/20/536659020.db2.gz FISIZJDMIWJXDJ-XXBNENTESA-N 0 0 426.513 3.721 50 0 IHAARN COc1cc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)ccc1OCc1ccccc1 ZINC000009909411 536745453 /nfs/dbraw/zinc/74/54/53/536745453.db2.gz JBOZXYXASYMMFX-UHFFFAOYSA-N 0 0 445.519 3.691 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)c1 ZINC000009715505 536823584 /nfs/dbraw/zinc/82/35/84/536823584.db2.gz HGENONASTMHHIX-UHFFFAOYSA-N 0 0 436.493 3.949 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000010984684 536968174 /nfs/dbraw/zinc/96/81/74/536968174.db2.gz XKXPOKBUDIACDX-UHFFFAOYSA-N 0 0 434.448 3.677 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1 ZINC000008597136 537066856 /nfs/dbraw/zinc/06/68/56/537066856.db2.gz RGTSYWCQNGBGSY-HKBQPEDESA-N 0 0 438.549 3.867 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000641237 555518712 /nfs/dbraw/zinc/51/87/12/555518712.db2.gz VDSRKDUHUNCBTR-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN O=S(=O)(Nc1ccc(Br)cc1)c1ccc(I)cc1 ZINC000000642719 555519050 /nfs/dbraw/zinc/51/90/50/555519050.db2.gz XIJHKFFLPCSOHD-UHFFFAOYSA-N 0 0 438.084 3.855 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C)CCCC2 ZINC000000649607 555522441 /nfs/dbraw/zinc/52/24/41/555522441.db2.gz TZNIYTLREKZOHZ-UHFFFAOYSA-N 0 0 440.978 3.626 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000655026 555524483 /nfs/dbraw/zinc/52/44/83/555524483.db2.gz DKCWOCNIEVNGGM-UHFFFAOYSA-N 0 0 448.928 3.762 50 0 IHAARN CCc1cccc(CC)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000000667396 555529232 /nfs/dbraw/zinc/52/92/32/555529232.db2.gz LJBNDKCOHYUPNO-CYBMUJFWSA-N 0 0 439.375 3.879 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000000670870 555530942 /nfs/dbraw/zinc/53/09/42/555530942.db2.gz XJFUSGFGYAFUJC-UHFFFAOYSA-N 0 0 428.963 3.561 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c(C)c1 ZINC000000687423 555540484 /nfs/dbraw/zinc/54/04/84/555540484.db2.gz MDCIYXAANOWZEB-UHFFFAOYSA-N 0 0 437.569 3.710 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000000687845 555540978 /nfs/dbraw/zinc/54/09/78/555540978.db2.gz CUQOBWNJXOGEKZ-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000710079 555546861 /nfs/dbraw/zinc/54/68/61/555546861.db2.gz ZAVCFDSVXJEOPH-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000000712641 555547757 /nfs/dbraw/zinc/54/77/57/555547757.db2.gz DASXGRFLWVXOHQ-FPAXGFGJSA-N 0 0 443.474 3.995 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000000713462 555548050 /nfs/dbraw/zinc/54/80/50/555548050.db2.gz GCDCUEPRJPDMNH-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000000724939 555551332 /nfs/dbraw/zinc/55/13/32/555551332.db2.gz KIVRKBVONIJYMX-NRFANRHFSA-N 0 0 438.459 3.857 50 0 IHAARN COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000000729162 555552237 /nfs/dbraw/zinc/55/22/37/555552237.db2.gz IZXJNQOSTXTLGM-IBGZPJMESA-N 0 0 447.944 3.797 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1OC ZINC000000784031 555555785 /nfs/dbraw/zinc/55/57/85/555555785.db2.gz VFOIROJQBMXROG-UHFFFAOYSA-N 0 0 426.513 3.820 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c(OC)c1 ZINC000000806264 555560029 /nfs/dbraw/zinc/56/00/29/555560029.db2.gz AKOOAVRZBUEESK-QFIPXVFZSA-N 0 0 434.448 3.735 50 0 IHAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000000821316 555563804 /nfs/dbraw/zinc/56/38/04/555563804.db2.gz LWTXKHYYFAQALR-UHFFFAOYSA-N 0 0 437.359 3.703 50 0 IHAARN CN(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000000827574 555565690 /nfs/dbraw/zinc/56/56/90/555565690.db2.gz PHBCBMPEQQJHLE-UHFFFAOYSA-N 0 0 434.867 3.783 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000828325 555565745 /nfs/dbraw/zinc/56/57/45/555565745.db2.gz ZFJNMJYUDWNQHS-ZDUSSCGKSA-N 0 0 431.286 3.617 50 0 IHAARN COc1cc(Br)c([C@H]2CC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000000861243 555572325 /nfs/dbraw/zinc/57/23/25/555572325.db2.gz YVONBBGAZMGYND-CQSZACIVSA-N 0 0 438.318 3.830 50 0 IHAARN COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC ZINC000000862459 555572897 /nfs/dbraw/zinc/57/28/97/555572897.db2.gz BJARLMZJVSGRAK-LJQANCHMSA-N 0 0 447.944 3.797 50 0 IHAARN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000867166 555574297 /nfs/dbraw/zinc/57/42/97/555574297.db2.gz AYJTWOVBEJAIMZ-LJQANCHMSA-N 0 0 447.944 3.797 50 0 IHAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000000871632 555575724 /nfs/dbraw/zinc/57/57/24/555575724.db2.gz BVRCXEWRUPMKBY-UHFFFAOYSA-N 0 0 432.904 3.991 50 0 IHAARN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1 ZINC000000880117 555577179 /nfs/dbraw/zinc/57/71/79/555577179.db2.gz LWBPFXPTFGAQJT-UHFFFAOYSA-N 0 0 441.578 3.624 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000000881375 555577520 /nfs/dbraw/zinc/57/75/20/555577520.db2.gz OTGWBENDFPYEEN-UHFFFAOYSA-N 0 0 434.989 3.896 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 ZINC000000886836 555579262 /nfs/dbraw/zinc/57/92/62/555579262.db2.gz ZIFJLIHTYDEKPE-UHFFFAOYSA-N 0 0 436.533 3.830 50 0 IHAARN COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccccc1 ZINC000000937588 555586137 /nfs/dbraw/zinc/58/61/37/555586137.db2.gz PXGVETCIFZARKR-UHFFFAOYSA-N 0 0 434.473 3.745 50 0 IHAARN COc1ccc(NC(=O)c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000938617 555586473 /nfs/dbraw/zinc/58/64/73/555586473.db2.gz XVMOQUUFPGGCTR-UHFFFAOYSA-N 0 0 444.443 3.539 50 0 IHAARN CC(C)C[C@@H](C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)N1C(=O)c2ccccc2C1=O ZINC000000943438 555587453 /nfs/dbraw/zinc/58/74/53/555587453.db2.gz JMDJNNYNLMQMOD-NRFANRHFSA-N 0 0 445.471 3.898 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000000973398 555591830 /nfs/dbraw/zinc/59/18/30/555591830.db2.gz CAYKGCGNKOAASD-UHFFFAOYSA-N 0 0 435.954 3.960 50 0 IHAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000001050882 555612957 /nfs/dbraw/zinc/61/29/57/555612957.db2.gz ACXGRPDPPBISMD-UHFFFAOYSA-N 0 0 426.494 3.822 50 0 IHAARN CCc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000001051782 555613365 /nfs/dbraw/zinc/61/33/65/555613365.db2.gz CARODDACIMTWBQ-SFHVURJKSA-N 0 0 432.929 3.915 50 0 IHAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1)N1CCCCCC1 ZINC000001056456 555614552 /nfs/dbraw/zinc/61/45/52/555614552.db2.gz FXGWPHKZUPDZFL-UHFFFAOYSA-N 0 0 433.555 3.789 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001072538 555621880 /nfs/dbraw/zinc/62/18/80/555621880.db2.gz ZCKPIRWBGMZCKM-NSHDSACASA-N 0 0 440.668 3.936 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(OC)cc4)N3C2=S)cc1 ZINC000001072858 555622283 /nfs/dbraw/zinc/62/22/83/555622283.db2.gz QHBPMBHZCNXXJP-PKOBYXMFSA-N 0 0 428.535 3.620 50 0 IHAARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000001076617 555624268 /nfs/dbraw/zinc/62/42/68/555624268.db2.gz HEODVIUVKHFGNP-IBGZPJMESA-N 0 0 435.261 3.508 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2)cc1C ZINC000001076287 555624331 /nfs/dbraw/zinc/62/43/31/555624331.db2.gz RLWFOWLDPADNHS-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(Br)cc1 ZINC000001076499 555624367 /nfs/dbraw/zinc/62/43/67/555624367.db2.gz NZSNLVFZOHMGKC-UHFFFAOYSA-N 0 0 431.739 3.740 50 0 IHAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000001076980 555624609 /nfs/dbraw/zinc/62/46/09/555624609.db2.gz ZLGRHBRXZWRRGJ-UHFFFAOYSA-N 0 0 428.514 3.625 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cc(OC)ccc1OC ZINC000001084436 555626566 /nfs/dbraw/zinc/62/65/66/555626566.db2.gz BBTKHNUVFOYLIX-OAQYLSRUSA-N 0 0 438.505 3.664 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001121452 555638275 /nfs/dbraw/zinc/63/82/75/555638275.db2.gz AFJRDVOHKKMOKN-UHFFFAOYSA-N 0 0 444.340 3.540 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2OC)cc1 ZINC000001133485 555646084 /nfs/dbraw/zinc/64/60/84/555646084.db2.gz KVSOFDOQOMBOQB-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000001134986 555646524 /nfs/dbraw/zinc/64/65/24/555646524.db2.gz CPGFMGRORFHTGJ-OAQYLSRUSA-N 0 0 432.432 3.504 50 0 IHAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl ZINC000001138353 555648082 /nfs/dbraw/zinc/64/80/82/555648082.db2.gz AEBITWNDCCYSBP-UHFFFAOYSA-N 0 0 446.931 3.986 50 0 IHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1)c1ccco1 ZINC000001137893 555648093 /nfs/dbraw/zinc/64/80/93/555648093.db2.gz UOTVXESFOKDREJ-UHFFFAOYSA-N 0 0 430.869 3.746 50 0 IHAARN COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1cc(Br)ccc1OC ZINC000001140992 555650014 /nfs/dbraw/zinc/65/00/14/555650014.db2.gz DYMWYKBZKFQTTC-UHFFFAOYSA-N 0 0 438.318 3.627 50 0 IHAARN CCc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000001142671 555650904 /nfs/dbraw/zinc/65/09/04/555650904.db2.gz YXIOVLSAEXLLLF-UHFFFAOYSA-N 0 0 438.549 3.769 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl ZINC000001143662 555651813 /nfs/dbraw/zinc/65/18/13/555651813.db2.gz YXJSDHPBDCRZBT-UHFFFAOYSA-N 0 0 436.961 3.646 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)c1 ZINC000001144770 555652606 /nfs/dbraw/zinc/65/26/06/555652606.db2.gz CCKYUFUTIXZTQB-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc(CC)cc2Br)n1 ZINC000001146731 555653781 /nfs/dbraw/zinc/65/37/81/555653781.db2.gz YPKGARASMCPSOE-UHFFFAOYSA-N 0 0 427.320 3.591 50 0 IHAARN COc1cccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@](O)(C(F)(F)F)C2)c1 ZINC000001152003 555656911 /nfs/dbraw/zinc/65/69/11/555656911.db2.gz JIQJEHAVAKUFQP-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000001157475 555659919 /nfs/dbraw/zinc/65/99/19/555659919.db2.gz WTOHEEWRIDRUHK-UHFFFAOYSA-N 0 0 437.359 3.797 50 0 IHAARN Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000001158426 555660485 /nfs/dbraw/zinc/66/04/85/555660485.db2.gz MUTLDFWHTSCRSS-VGOFMYFVSA-N 0 0 433.537 3.505 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Br)c1 ZINC000001162034 555662394 /nfs/dbraw/zinc/66/23/94/555662394.db2.gz VORWTVIRPHCTOP-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001174355 555669018 /nfs/dbraw/zinc/66/90/18/555669018.db2.gz BMYRUZFFHKOOHL-CYBMUJFWSA-N 0 0 441.347 3.559 50 0 IHAARN COc1cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc(OC)c1OC ZINC000001175626 555669417 /nfs/dbraw/zinc/66/94/17/555669417.db2.gz HIPQWEFBPQFSQV-UHFFFAOYSA-N 0 0 432.432 3.765 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1C ZINC000001177135 555670278 /nfs/dbraw/zinc/67/02/78/555670278.db2.gz YXEAJUDGEHRSSL-HSZRJFAPSA-N 0 0 441.483 3.937 50 0 IHAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000001179911 555671158 /nfs/dbraw/zinc/67/11/58/555671158.db2.gz DECOIBSYHQSWSE-UHFFFAOYSA-N 0 0 442.968 3.890 50 0 IHAARN O=C1C[C@H](Nc2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001195105 555676713 /nfs/dbraw/zinc/67/67/13/555676713.db2.gz YLQAOEVQRLBQMB-AWEZNQCLSA-N 0 0 426.641 3.689 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000001196485 555677035 /nfs/dbraw/zinc/67/70/35/555677035.db2.gz WVFVXQDJWBGWFE-UHFFFAOYSA-N 0 0 440.344 3.561 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001214876 555683631 /nfs/dbraw/zinc/68/36/31/555683631.db2.gz HGRJPHWDFZQUQT-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 ZINC000001253817 555687786 /nfs/dbraw/zinc/68/77/86/555687786.db2.gz FDJZSAAQSJGQCN-UHFFFAOYSA-N 0 0 445.566 3.586 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1OC ZINC000001407270 555693743 /nfs/dbraw/zinc/69/37/43/555693743.db2.gz CHNZLKGVDWVTME-RCDICMHDSA-N 0 0 431.448 3.688 50 0 IHAARN CCc1nc2c3cccnc3sc2c(=O)n1CC(=O)Nc1cccc(Br)c1 ZINC000046153834 555696287 /nfs/dbraw/zinc/69/62/87/555696287.db2.gz UCSAVDJQQADGNB-UHFFFAOYSA-N 0 0 443.326 3.970 50 0 IHAARN O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000001442270 555697880 /nfs/dbraw/zinc/69/78/80/555697880.db2.gz MTRXJOSUCMIGAQ-HXUWFJFHSA-N 0 0 443.459 3.782 50 0 IHAARN COC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001772515 555713757 /nfs/dbraw/zinc/71/37/57/555713757.db2.gz ZYYPTDUSLBSKBM-AWEZNQCLSA-N 0 0 431.510 3.844 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010405205 555714732 /nfs/dbraw/zinc/71/47/32/555714732.db2.gz YVYJYQVLEOLDNY-LBPRGKRZSA-N 0 0 429.416 3.601 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000002079183 555736833 /nfs/dbraw/zinc/73/68/33/555736833.db2.gz YSGZUVSZKSTKNE-IBGZPJMESA-N 0 0 448.313 3.638 50 0 IHAARN COc1cc(C(=O)Oc2cc3c4c(c2)[C@H](C)CC(C)(C)N4C(=O)C3=O)cc(OC)c1OC ZINC000002153984 555750217 /nfs/dbraw/zinc/75/02/17/555750217.db2.gz IQYQGIUXFHKJQN-GFCCVEGCSA-N 0 0 439.464 3.747 50 0 biogenic IHAARN CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000002163703 555751231 /nfs/dbraw/zinc/75/12/31/555751231.db2.gz HHKFRAIKXQHMOM-AWEZNQCLSA-N 0 0 444.586 3.593 50 0 IHAARN CCOC(=O)CC(=O)CSc1nnc(-c2cc(-c3ccccc3)sc2N)n1CC ZINC000002181092 555753721 /nfs/dbraw/zinc/75/37/21/555753721.db2.gz DHYFIHDRRONZQQ-UHFFFAOYSA-N 0 0 430.555 3.890 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S ZINC000002230802 555760230 /nfs/dbraw/zinc/76/02/30/555760230.db2.gz ZFPIAMIUSLPFTJ-IBGZPJMESA-N 0 0 445.972 3.738 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000002234494 555760527 /nfs/dbraw/zinc/76/05/27/555760527.db2.gz ZALZDSPDQPVAMY-UHFFFAOYSA-N 0 0 442.566 3.527 50 0 IHAARN COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1OC ZINC000002336204 555769919 /nfs/dbraw/zinc/76/99/19/555769919.db2.gz KHGZIMFSJORTHY-PXNMLYILSA-N 0 0 434.304 3.690 50 0 IHAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000002353304 555771481 /nfs/dbraw/zinc/77/14/81/555771481.db2.gz SSLMJQJPZYCDHN-UHFFFAOYSA-N 0 0 436.338 3.802 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000002418686 555777421 /nfs/dbraw/zinc/77/74/21/555777421.db2.gz GHYGWTPQHWSGBY-VFNWGFHPSA-N 0 0 439.439 3.674 50 0 IHAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)c1 ZINC000002425242 555778117 /nfs/dbraw/zinc/77/81/17/555778117.db2.gz FGRZDHQFZQGZBH-UHFFFAOYSA-N 0 0 443.960 3.746 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002435169 555778640 /nfs/dbraw/zinc/77/86/40/555778640.db2.gz LIGBCDQNNQTVPM-UHFFFAOYSA-N 0 0 432.509 3.854 50 0 IHAARN Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCc1ccco1 ZINC000002462511 555783271 /nfs/dbraw/zinc/78/32/71/555783271.db2.gz SPCICLYMFFNRMS-UHFFFAOYSA-N 0 0 425.915 3.553 50 0 IHAARN CCOc1ccc(CN2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)cc1 ZINC000034678058 555796501 /nfs/dbraw/zinc/79/65/01/555796501.db2.gz XFYGHSFUGWRLSZ-UHFFFAOYSA-N 0 0 438.503 3.783 50 0 IHAARN COc1ccccc1CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034678289 555797131 /nfs/dbraw/zinc/79/71/31/555797131.db2.gz RKHHBGQZLPQDJT-UHFFFAOYSA-N 0 0 440.931 3.907 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2cccc(F)c2)c1=O ZINC000034692979 555805610 /nfs/dbraw/zinc/80/56/10/555805610.db2.gz WBIGYQPNPDQRKE-UHFFFAOYSA-N 0 0 432.377 3.575 50 0 IHAARN Cc1ccccc1Cn1cnc2c1c(=O)n(CCc1ccccc1)c(=O)n2-c1ccccc1 ZINC000034693430 555806462 /nfs/dbraw/zinc/80/64/62/555806462.db2.gz WYYQOIJFWMLSBE-UHFFFAOYSA-N 0 0 436.515 3.948 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)cc2F)n(-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000034693940 555808506 /nfs/dbraw/zinc/80/85/06/555808506.db2.gz MMYDRADLFLFOLO-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN CCCc1nnc(NC(=O)[C@@H](CC)Sc2nnc3c4ccccc4n(C)c3n2)s1 ZINC000002776338 555818117 /nfs/dbraw/zinc/81/81/17/555818117.db2.gz GKJCDTHMORIEBF-CYBMUJFWSA-N 0 0 427.559 3.830 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(C(=O)NCc4cccc(C)c4)cs3)CC2)c1 ZINC000034685460 555820987 /nfs/dbraw/zinc/82/09/87/555820987.db2.gz BSCKNLBVTSCTIR-UHFFFAOYSA-N 0 0 436.581 3.712 50 0 IHAARN O=C(NCCCNC(=O)c1ccccc1Br)c1ccccc1Br ZINC000002802008 555824843 /nfs/dbraw/zinc/82/48/43/555824843.db2.gz UEUOBSNPGADJPP-UHFFFAOYSA-N 0 0 440.135 3.762 50 0 IHAARN COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1Br ZINC000002813776 555828265 /nfs/dbraw/zinc/82/82/65/555828265.db2.gz FUNWMTNILQRVOU-UHFFFAOYSA-N 0 0 430.389 3.978 50 0 IHAARN COC(=O)c1sc2cc(NC(=S)NCCCN3CCCC3=O)ccc2c1Cl ZINC000002855883 555841382 /nfs/dbraw/zinc/84/13/82/555841382.db2.gz YWZTXOCAMAUWMZ-UHFFFAOYSA-N 0 0 425.963 3.640 50 0 IHAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C ZINC000002860430 555844173 /nfs/dbraw/zinc/84/41/73/555844173.db2.gz AOLMLTWVHLCDRD-UHFFFAOYSA-N 0 0 430.505 3.971 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000002866808 555847827 /nfs/dbraw/zinc/84/78/27/555847827.db2.gz KRBMLZYXWIUBNA-UHFFFAOYSA-N 0 0 443.338 3.936 50 0 IHAARN CN(C)S(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000002874701 555851768 /nfs/dbraw/zinc/85/17/68/555851768.db2.gz GAABTACMYZZNNK-UHFFFAOYSA-N 0 0 435.855 3.610 50 0 IHAARN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000002876254 555852388 /nfs/dbraw/zinc/85/23/88/555852388.db2.gz BNOKXKYELRDJPM-UHFFFAOYSA-N 0 0 440.612 3.774 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(F)cc2)cc1 ZINC000002879738 555854325 /nfs/dbraw/zinc/85/43/25/555854325.db2.gz DVXHUMFHARLEQU-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000002880756 555854933 /nfs/dbraw/zinc/85/49/33/555854933.db2.gz OJKXFIBOTYEMLL-UHFFFAOYSA-N 0 0 443.525 3.722 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1OC ZINC000002881829 555855935 /nfs/dbraw/zinc/85/59/35/555855935.db2.gz SQJLUFNMOLGXBK-UHFFFAOYSA-N 0 0 444.484 3.920 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NCCO)cc1 ZINC000002911382 555861937 /nfs/dbraw/zinc/86/19/37/555861937.db2.gz JFWJYPGWEQABGP-XMHGGMMESA-N 0 0 445.357 3.626 50 0 IHAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000002958395 555867321 /nfs/dbraw/zinc/86/73/21/555867321.db2.gz NIIAVBUKPKQYDB-UHFFFAOYSA-N 0 0 428.941 3.894 50 0 IHAARN Cc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1Cl ZINC000002985445 555874043 /nfs/dbraw/zinc/87/40/43/555874043.db2.gz CKKAQALPKWYCGW-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1cccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000002990631 555874870 /nfs/dbraw/zinc/87/48/70/555874870.db2.gz XVMBTODLADOQAU-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1cccs1)CC2 ZINC000034755598 555900805 /nfs/dbraw/zinc/90/08/05/555900805.db2.gz QDZARRVQJKBLDH-UHFFFAOYSA-N 0 0 438.553 3.734 50 0 IHAARN O=C(NCc1cccc(F)c1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034830908 555912056 /nfs/dbraw/zinc/91/20/56/555912056.db2.gz MOEIFVOFYIASNB-UHFFFAOYSA-N 0 0 447.297 3.915 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)no2)cc1 ZINC000034904877 555919308 /nfs/dbraw/zinc/91/93/08/555919308.db2.gz ATILKDVSOYWICQ-UHFFFAOYSA-N 0 0 427.892 3.748 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnnn2-c2ccccc2)C1=O ZINC000003325498 555920746 /nfs/dbraw/zinc/92/07/46/555920746.db2.gz FYUUWXOXAAEYEL-QGZVFWFLSA-N 0 0 427.917 3.629 50 0 IHAARN CCCCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1 ZINC000034900166 555929272 /nfs/dbraw/zinc/92/92/72/555929272.db2.gz LVPFMCMLRFSVIA-KSEOMHKRSA-N 0 0 445.579 3.802 50 0 IHAARN O=C(NCc1ccccn1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034917040 555930959 /nfs/dbraw/zinc/93/09/59/555930959.db2.gz XSGDQBYYUWEXTH-ZDUSSCGKSA-N 0 0 445.363 3.784 50 0 IHAARN COc1ccc(O[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003653550 555944299 /nfs/dbraw/zinc/94/42/99/555944299.db2.gz KZJKNUIKFKVUTB-DNQXCXABSA-N 0 0 447.443 3.684 50 0 IHAARN CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2cccc(Br)c2)NC(=O)N1 ZINC000004113597 555963764 /nfs/dbraw/zinc/96/37/64/555963764.db2.gz LJEIVVWWCMRFPD-SFHVURJKSA-N 0 0 445.269 3.549 50 0 IHAARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1 ZINC000004157420 555969009 /nfs/dbraw/zinc/96/90/09/555969009.db2.gz QRAHNFQZHBZFJQ-LPTDTENNSA-N 0 0 437.879 3.915 50 0 IHAARN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n(C)n1 ZINC000010559081 555990240 /nfs/dbraw/zinc/99/02/40/555990240.db2.gz ZUUURAIYBOVWEV-UHFFFAOYSA-N 0 0 432.484 3.517 50 0 IHAARN CCCCOc1ccccc1C1C(C(=O)OC)=CN(C[C@@H]2CCCO2)C=C1C(=O)OC ZINC000004576863 556002274 /nfs/dbraw/zinc/00/22/74/556002274.db2.gz QCRNWJRJTHKDQZ-KRWDZBQOSA-N 0 0 429.513 3.558 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1 ZINC000006442286 556087687 /nfs/dbraw/zinc/08/76/87/556087687.db2.gz ZTDSMJPBQBCLFJ-JOCHJYFZSA-N 0 0 444.491 3.765 50 0 IHAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C1=O ZINC000006491934 556091348 /nfs/dbraw/zinc/09/13/48/556091348.db2.gz PUJCMJCEVHFCPZ-XDHOZWIPSA-N 0 0 427.478 3.874 50 0 IHAARN Cc1nc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1I ZINC000006767163 556103578 /nfs/dbraw/zinc/10/35/78/556103578.db2.gz LJIVKOVTQMONFH-UHFFFAOYSA-N 0 0 431.686 3.775 50 0 IHAARN COc1ccc(CC(=O)OCC(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000002663269 556118150 /nfs/dbraw/zinc/11/81/50/556118150.db2.gz PEKIGQUZFDCHSD-UHFFFAOYSA-N 0 0 448.475 3.681 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc2c(c1)OCO2 ZINC000002704038 556123263 /nfs/dbraw/zinc/12/32/63/556123263.db2.gz QBVIXDNSKOPNPB-JOCHJYFZSA-N 0 0 427.412 3.973 50 0 IHAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccccc1Cl ZINC000002710067 556124763 /nfs/dbraw/zinc/12/47/63/556124763.db2.gz KCJFPFIWGVSXHC-LJQANCHMSA-N 0 0 436.895 3.726 50 0 IHAARN Cc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000002720672 556127131 /nfs/dbraw/zinc/12/71/31/556127131.db2.gz UBWIQKHYJWZFOW-QGZVFWFLSA-N 0 0 448.548 3.563 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000002717922 556131222 /nfs/dbraw/zinc/13/12/22/556131222.db2.gz CNKMSBLSGBLORE-UHFFFAOYSA-N 0 0 435.509 3.959 50 0 IHAARN Cc1c(Br)c(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)nn1C ZINC000002735484 556135418 /nfs/dbraw/zinc/13/54/18/556135418.db2.gz XYPHTZPHGDBJJX-UHFFFAOYSA-N 0 0 446.202 3.545 50 0 IHAARN CCn1ncc(Br)c1CNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C ZINC000002805217 556143292 /nfs/dbraw/zinc/14/32/92/556143292.db2.gz MTCPNTVJHXBYOA-UHFFFAOYSA-N 0 0 442.667 3.549 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C ZINC000002794137 556144921 /nfs/dbraw/zinc/14/49/21/556144921.db2.gz BYOTWUFPJMSRCO-UHFFFAOYSA-N 0 0 445.795 3.984 50 0 IHAARN CCn1ncc(-c2ccnc(SCC(=O)Nc3c(F)c(F)cc(F)c3F)n2)c1C ZINC000002809628 556147026 /nfs/dbraw/zinc/14/70/26/556147026.db2.gz QBIOCSIOWLHJKH-UHFFFAOYSA-N 0 0 425.411 3.956 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1 ZINC000003009518 556155132 /nfs/dbraw/zinc/15/51/32/556155132.db2.gz YWYYVYZCXJQBEA-UHFFFAOYSA-N 0 0 425.510 3.569 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 ZINC000008383862 556159690 /nfs/dbraw/zinc/15/96/90/556159690.db2.gz BKQMFWSCFAJACA-FPOVZHCZSA-N 0 0 437.492 3.811 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 ZINC000008383860 556159738 /nfs/dbraw/zinc/15/97/38/556159738.db2.gz BKQMFWSCFAJACA-CTNGQTDRSA-N 0 0 437.492 3.811 50 0 IHAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008384376 556160295 /nfs/dbraw/zinc/16/02/95/556160295.db2.gz RQNWBBVJIGXWBB-QGZVFWFLSA-N 0 0 442.762 3.932 50 0 IHAARN CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(NC(=O)[C@@]45CC[C@@H](C4)C(C)(C)C5=O)n3)CC[C@H]1C2 ZINC000008384924 556160520 /nfs/dbraw/zinc/16/05/20/556160520.db2.gz GJPVJXBSUAHXIM-STMSJLSVSA-N 0 0 437.540 3.749 50 0 IHAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCCCn1ccnc1 ZINC000008435647 556173335 /nfs/dbraw/zinc/17/33/35/556173335.db2.gz BEAMKPQKRIRAFY-UHFFFAOYSA-N 0 0 447.486 3.756 50 0 IHAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1C ZINC000008586931 556188330 /nfs/dbraw/zinc/18/83/30/556188330.db2.gz YNOFKONQXRUHFZ-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Cc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 ZINC000008604869 556191614 /nfs/dbraw/zinc/19/16/14/556191614.db2.gz JMIHLJPLVZHYOW-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1 ZINC000008608757 556191638 /nfs/dbraw/zinc/19/16/38/556191638.db2.gz SRZLPPXEQCVFJW-UHFFFAOYSA-N 0 0 436.899 3.532 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCS(=NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008648406 556195974 /nfs/dbraw/zinc/19/59/74/556195974.db2.gz DXURNIOMDVPWPJ-UHFFFAOYSA-N 0 0 431.366 3.640 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)N1CCOCC1 ZINC000008682638 556199256 /nfs/dbraw/zinc/19/92/56/556199256.db2.gz KGGKQXXXUWSSQX-FDJWOJMMSA-N 0 0 441.483 3.590 50 0 IHAARN NC(=O)CCCCCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000010606353 556213410 /nfs/dbraw/zinc/21/34/10/556213410.db2.gz SSYMNJCATFYPFJ-UHFFFAOYSA-N 0 0 449.576 3.906 50 0 IHAARN COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccccn3)c2N1 ZINC000009060615 556244209 /nfs/dbraw/zinc/24/42/09/556244209.db2.gz XQQPPTYTLWMPJX-AEFFLSMTSA-N 0 0 431.418 3.877 50 0 IHAARN CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000009094742 556246107 /nfs/dbraw/zinc/24/61/07/556246107.db2.gz NRNXGFWVLVTVFA-UHFFFAOYSA-N 0 0 429.444 3.783 50 0 IHAARN COc1cccc(C(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c1 ZINC000009094737 556246147 /nfs/dbraw/zinc/24/61/47/556246147.db2.gz IJLLTYLBWZLJNZ-UHFFFAOYSA-N 0 0 441.480 3.653 50 0 IHAARN Cc1cn2c3c(nc2n1-c1cccc(C)c1C)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097574792 556250530 /nfs/dbraw/zinc/25/05/30/556250530.db2.gz RRJHIJQLYBQNKG-LCYFTJDESA-N 0 0 439.519 3.777 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)CC2=O)cc1 ZINC000009191096 556253447 /nfs/dbraw/zinc/25/34/47/556253447.db2.gz VMCBRRVPKVNQGE-QFIPXVFZSA-N 0 0 445.563 3.714 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 ZINC000009191036 556253507 /nfs/dbraw/zinc/25/35/07/556253507.db2.gz ZQBRGQHCSPFSKN-HXUWFJFHSA-N 0 0 449.551 3.624 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009197218 556255307 /nfs/dbraw/zinc/25/53/07/556255307.db2.gz FZHAKYCOUQIITQ-ZWKOTPCHSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009197830 556256171 /nfs/dbraw/zinc/25/61/71/556256171.db2.gz SVAGAMPOVJOGDS-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000009236510 556263871 /nfs/dbraw/zinc/26/38/71/556263871.db2.gz KRRJQOYLQRUYDF-UXHICEINSA-N 0 0 435.553 3.725 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000009236861 556264115 /nfs/dbraw/zinc/26/41/15/556264115.db2.gz FBEAFPRVGLIXEQ-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 ZINC000009239186 556265614 /nfs/dbraw/zinc/26/56/14/556265614.db2.gz BAFYILCVGZJUAD-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN COc1ccc(NC2=N[C@@H](c3cccc(Br)c3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009253961 556267356 /nfs/dbraw/zinc/26/73/56/556267356.db2.gz IYTXOBHLOHMXMO-GOSISDBHSA-N 0 0 440.301 3.763 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CNC(=O)c1ccc(Cl)nc1)n2C ZINC000013687067 556277049 /nfs/dbraw/zinc/27/70/49/556277049.db2.gz IUPSIXHBXNYDJE-UHFFFAOYSA-N 0 0 449.898 3.813 50 0 IHAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CC3)o2)cc1 ZINC000013689758 556279048 /nfs/dbraw/zinc/27/90/48/556279048.db2.gz GRMLEFVZGZDGJZ-UHFFFAOYSA-N 0 0 428.466 3.529 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccncc1 ZINC000013690842 556280006 /nfs/dbraw/zinc/28/00/06/556280006.db2.gz LLKDBCABXLEPHK-UHFFFAOYSA-N 0 0 427.526 3.540 50 0 IHAARN CCN(C(=O)Cn1ccn2nc(-c3ccc(OC)c(OC)c3)cc2c1=O)c1cccc(C)c1 ZINC000009327552 556282087 /nfs/dbraw/zinc/28/20/87/556282087.db2.gz UMZRSRGMHFRWEF-UHFFFAOYSA-N 0 0 446.507 3.542 50 0 IHAARN COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000013692807 556282556 /nfs/dbraw/zinc/28/25/56/556282556.db2.gz RNQZCBGGSRTSPC-MSOLQXFVSA-N 0 0 436.986 3.619 50 0 IHAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccn4)cc3N2)c1 ZINC000009411001 556288450 /nfs/dbraw/zinc/28/84/50/556288450.db2.gz FRVAWDIEEMWVBA-FUHWJXTLSA-N 0 0 431.418 3.877 50 0 IHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 ZINC000009410673 556288518 /nfs/dbraw/zinc/28/85/18/556288518.db2.gz TZBVTOJRWCGAKK-AEFFLSMTSA-N 0 0 448.449 3.569 50 0 IHAARN CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009418954 556289257 /nfs/dbraw/zinc/28/92/57/556289257.db2.gz JNMHSYPRJSCPLO-NHCUHLMSSA-N 0 0 428.579 3.597 50 0 IHAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCC3)c1ccccc1 ZINC000013725827 556292809 /nfs/dbraw/zinc/29/28/09/556292809.db2.gz KBHUNWJYUYNHLI-UHFFFAOYSA-N 0 0 427.489 3.539 50 0 IHAARN COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1ccccc1C(=O)OC ZINC000013726669 556293148 /nfs/dbraw/zinc/29/31/48/556293148.db2.gz PJEDIAOXTWANSY-UHFFFAOYSA-N 0 0 439.537 3.550 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccc(OC)c1 ZINC000009478818 556293903 /nfs/dbraw/zinc/29/39/03/556293903.db2.gz WAJRXCUEJZAAHR-UHFFFAOYSA-N 0 0 425.514 3.663 50 0 IHAARN CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000009525849 556296330 /nfs/dbraw/zinc/29/63/30/556296330.db2.gz POMYVMDRBYNTKG-OAHLLOKOSA-N 0 0 430.888 3.582 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009590932 556301103 /nfs/dbraw/zinc/30/11/03/556301103.db2.gz RRJVFNWSEJPLLR-GDBMZVCRSA-N 0 0 430.298 3.925 50 0 IHAARN CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(OC)c(OC)c3)nn2c1=O ZINC000013757882 556301082 /nfs/dbraw/zinc/30/10/82/556301082.db2.gz ZKTRVYJARXMDAU-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN Cc1cc(C)n(-c2ccc(COC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 ZINC000032741303 556302836 /nfs/dbraw/zinc/30/28/36/556302836.db2.gz LJJOIJLRTDXCCW-UHFFFAOYSA-N 0 0 439.537 3.631 50 0 IHAARN COc1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2OC)cc1 ZINC000013773772 556306270 /nfs/dbraw/zinc/30/62/70/556306270.db2.gz NOKJOCKDOIHCAL-DEDYPNTBSA-N 0 0 446.459 3.842 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c1 ZINC000013778283 556307910 /nfs/dbraw/zinc/30/79/10/556307910.db2.gz KPUTUTOASGKPLY-FTBPSBKWSA-N 0 0 430.589 3.821 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1 ZINC000009830440 556311037 /nfs/dbraw/zinc/31/10/37/556311037.db2.gz FHEVEIPGEOUPJX-HNNXBMFYSA-N 0 0 444.944 3.663 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccc(Cl)cc1 ZINC000013810967 556312273 /nfs/dbraw/zinc/31/22/73/556312273.db2.gz YMMCMGWBBRTWFX-MANSERQUSA-N 0 0 429.303 3.829 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009892644 556315646 /nfs/dbraw/zinc/31/56/46/556315646.db2.gz WZBIAKQPEQGCSX-UHFFFAOYSA-N 0 0 430.423 3.884 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3ccccc3OC)no2)cc1 ZINC000032759408 556319388 /nfs/dbraw/zinc/31/93/88/556319388.db2.gz CSARLEWXBSYPAE-MRXNPFEDSA-N 0 0 444.557 3.627 50 0 IHAARN Cc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000013847333 556319446 /nfs/dbraw/zinc/31/94/46/556319446.db2.gz SRTRSBNNOWWPFL-UHFFFAOYSA-N 0 0 425.348 3.942 50 0 IHAARN CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1C ZINC000032753790 556323114 /nfs/dbraw/zinc/32/31/14/556323114.db2.gz WVJILMGBKMQXKC-UHFFFAOYSA-N 0 0 428.554 3.651 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000010042541 556323373 /nfs/dbraw/zinc/32/33/73/556323373.db2.gz SFTUXHVBRZNUDP-UHFFFAOYSA-N 0 0 435.057 3.505 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)s2)cc1OC ZINC000010059723 556324087 /nfs/dbraw/zinc/32/40/87/556324087.db2.gz RJCYJIJOFFITKD-UHFFFAOYSA-N 0 0 440.525 3.993 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000013880116 556325360 /nfs/dbraw/zinc/32/53/60/556325360.db2.gz PCAFKXSHKAKDPU-UHFFFAOYSA-N 0 0 437.569 3.884 50 0 IHAARN Cc1sc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc(N)c2c1C ZINC000032776958 556327160 /nfs/dbraw/zinc/32/71/60/556327160.db2.gz UGNKQBCHTOVPON-JTQLQIEISA-N 0 0 427.555 3.746 50 0 IHAARN COC(=O)[C@@H](N[C@@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000013898828 556330553 /nfs/dbraw/zinc/33/05/53/556330553.db2.gz NVIRVLKCEMVQSW-GOTSBHOMSA-N 0 0 442.556 3.879 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000032765636 556332818 /nfs/dbraw/zinc/33/28/18/556332818.db2.gz YTSXTZYJTXTNCI-MGPUTAFESA-N 0 0 438.553 3.535 50 0 IHAARN O=C(CN1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)Nc1ccccc1Cl ZINC000032768727 556333573 /nfs/dbraw/zinc/33/35/73/556333573.db2.gz MNJLIYOJJCFDOU-UHFFFAOYSA-N 0 0 446.985 3.922 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c(Br)c1 ZINC000032770762 556334755 /nfs/dbraw/zinc/33/47/55/556334755.db2.gz PLSCGGVGEWIXOC-UHFFFAOYSA-N 0 0 438.343 3.979 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 ZINC000013944341 556341284 /nfs/dbraw/zinc/34/12/84/556341284.db2.gz XTFQXGKDKYTAHN-CQSZACIVSA-N 0 0 438.509 3.718 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000011662367 556343902 /nfs/dbraw/zinc/34/39/02/556343902.db2.gz GQGSCKSWTYWROS-GOSISDBHSA-N 0 0 430.495 3.851 50 0 IHAARN O=C(c1ccc(COc2ccccc2Br)o1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000013960173 556347266 /nfs/dbraw/zinc/34/72/66/556347266.db2.gz TYEAHHVJGUWRGH-OAHLLOKOSA-N 0 0 433.180 3.704 50 0 IHAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1nc2ncccn2n1 ZINC000011753473 556348503 /nfs/dbraw/zinc/34/85/03/556348503.db2.gz REJNWLHTFVCYLH-QFIPXVFZSA-N 0 0 438.491 3.792 50 0 IHAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000011753543 556348770 /nfs/dbraw/zinc/34/87/70/556348770.db2.gz JCTSTXRXZVMWQI-SANMLTNESA-N 0 0 449.551 3.908 50 0 IHAARN COc1cc(Br)c(CCNC(=O)c2ccc3c(c2)OCCCO3)cc1OC ZINC000032788723 556350679 /nfs/dbraw/zinc/35/06/79/556350679.db2.gz VVYHHIHHICAZBQ-UHFFFAOYSA-N 0 0 436.302 3.600 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 ZINC000011775956 556350929 /nfs/dbraw/zinc/35/09/29/556350929.db2.gz WRVXSFKGMYWKIO-OAQYLSRUSA-N 0 0 437.588 3.704 50 0 IHAARN O=C(COc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc(Cl)c2)C1 ZINC000011784052 556352085 /nfs/dbraw/zinc/35/20/85/556352085.db2.gz RZEMRRMBLQSMTR-KNQAVFIVSA-N 0 0 426.944 3.801 50 0 IHAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cccnc2C)CC1 ZINC000011813602 556356799 /nfs/dbraw/zinc/35/67/99/556356799.db2.gz DZNRGFOAOZZECJ-UHFFFAOYSA-N 0 0 434.500 3.716 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000011820282 556361971 /nfs/dbraw/zinc/36/19/71/556361971.db2.gz FWTGMWJIQHXWNZ-HSZRJFAPSA-N 0 0 427.451 3.869 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000011820183 556362042 /nfs/dbraw/zinc/36/20/42/556362042.db2.gz RRMWMCULZZZDQG-SANMLTNESA-N 0 0 431.536 3.965 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014076464 556362178 /nfs/dbraw/zinc/36/21/78/556362178.db2.gz NYSWDRKCQWQWOU-FQEVSTJZSA-N 0 0 425.916 3.800 50 0 IHAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)Cc2cn3ccsc3n2)C1 ZINC000011820392 556362420 /nfs/dbraw/zinc/36/24/20/556362420.db2.gz XEJUJAZSZXHWCN-HSZRJFAPSA-N 0 0 441.553 3.579 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)NC34CC5CC(CC(C5)C3)C4)CCC(=O)N2)cc1OC ZINC000011842051 556365511 /nfs/dbraw/zinc/36/55/11/556365511.db2.gz NAHLZJNRUHZJPG-CTCZGSPCSA-N 0 0 440.584 3.760 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc21 ZINC000014108510 556368790 /nfs/dbraw/zinc/36/87/90/556368790.db2.gz PYHKFVDGHQOBMI-UHFFFAOYSA-N 0 0 431.492 3.685 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000011878240 556370941 /nfs/dbraw/zinc/37/09/41/556370941.db2.gz PZOKTZQFXBHUKG-FQEVSTJZSA-N 0 0 442.519 3.850 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc4c(c3)OCO4)cc2)cc1 ZINC000014117485 556371261 /nfs/dbraw/zinc/37/12/61/556371261.db2.gz HVVNKHGGFXIFBF-UHFFFAOYSA-N 0 0 447.491 3.747 50 0 IHAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N[C@H](C)c2csc(C)n2)c1 ZINC000011881292 556372805 /nfs/dbraw/zinc/37/28/05/556372805.db2.gz XFPLKKWFBAVGGH-GFCCVEGCSA-N 0 0 441.557 3.682 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000014124697 556373228 /nfs/dbraw/zinc/37/32/28/556373228.db2.gz BKPKDAJDMAPWOA-DEOSSOPVSA-N 0 0 444.535 3.536 50 0 IHAARN CC[C@H]1CN(CC(=O)N[C@@H](CCn2ccnc2)c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011882461 556373677 /nfs/dbraw/zinc/37/36/77/556373677.db2.gz ZPTQZFPBKZKEIH-UPVQGACJSA-N 0 0 448.567 3.813 50 0 IHAARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(OCc3ccc(F)cc3)c1)C2=O ZINC000014129345 556374515 /nfs/dbraw/zinc/37/45/15/556374515.db2.gz CAIYXRCLBZQQNY-UHFFFAOYSA-N 0 0 425.460 3.550 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc(OC)c1 ZINC000014139641 556376212 /nfs/dbraw/zinc/37/62/12/556376212.db2.gz DAHRYGGICOTKMP-HZPDHXFCSA-N 0 0 432.542 3.623 50 0 IHAARN CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 ZINC000014167106 556380137 /nfs/dbraw/zinc/38/01/37/556380137.db2.gz AIFCLJHNHTWDOG-MWTRTKDXSA-N 0 0 428.554 3.569 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)[C@@H](C)n1nc(C)cc1C)C2 ZINC000011964538 556381483 /nfs/dbraw/zinc/38/14/83/556381483.db2.gz MIKPYPQTKAQQGD-UYAOXDASSA-N 0 0 447.535 3.943 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000014171886 556382008 /nfs/dbraw/zinc/38/20/08/556382008.db2.gz JILROYHEZFBFTP-UHFFFAOYSA-N 0 0 427.574 3.976 50 0 IHAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C1=O ZINC000014183841 556383666 /nfs/dbraw/zinc/38/36/66/556383666.db2.gz DMRCVISHDFBNJG-SANMLTNESA-N 0 0 427.504 3.683 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)cc1 ZINC000014183941 556383835 /nfs/dbraw/zinc/38/38/35/556383835.db2.gz HRBFKEUJQNPPLB-OAQYLSRUSA-N 0 0 444.622 3.977 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000014185431 556385426 /nfs/dbraw/zinc/38/54/26/556385426.db2.gz NKEKABPEMWTFCU-UHFFFAOYSA-N 0 0 427.342 3.886 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3cccs3)C2)c(OC)c1 ZINC000012000904 556385533 /nfs/dbraw/zinc/38/55/33/556385533.db2.gz GGBVJDUAWVGPHQ-QGZVFWFLSA-N 0 0 430.570 3.643 50 0 IHAARN Cc1ccc(C)c(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000014185910 556385686 /nfs/dbraw/zinc/38/56/86/556385686.db2.gz SQMQPRAKTBTOPN-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(C(=O)C(C)C)CC3)cc12 ZINC000014187598 556386606 /nfs/dbraw/zinc/38/66/06/556386606.db2.gz MTYJWAGWSXMOQL-UHFFFAOYSA-N 0 0 428.533 3.534 50 0 IHAARN O=C([C@@H]1CC12CCN(Cc1nc3ccccc3[nH]1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012027622 556388044 /nfs/dbraw/zinc/38/80/44/556388044.db2.gz RKDAELYGSVPCEA-NRFANRHFSA-N 0 0 429.568 3.514 50 0 IHAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)CSc4nnc(C)o4)C3)ccc2c1 ZINC000012029620 556388478 /nfs/dbraw/zinc/38/84/78/556388478.db2.gz CFXRXINUUHOBNR-GOSISDBHSA-N 0 0 425.510 3.753 50 0 IHAARN COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 ZINC000014198226 556389438 /nfs/dbraw/zinc/38/94/38/556389438.db2.gz LFWUJIJIIUQXGZ-UHFFFAOYSA-N 0 0 449.555 3.687 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000012038805 556390468 /nfs/dbraw/zinc/39/04/68/556390468.db2.gz XAXONPAMMSTNFE-IQGLISFBSA-N 0 0 438.499 3.542 50 0 IHAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014200553 556391070 /nfs/dbraw/zinc/39/10/70/556391070.db2.gz WCATUZXCGMGXEO-CYBMUJFWSA-N 0 0 429.929 3.834 50 0 IHAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014200554 556391148 /nfs/dbraw/zinc/39/11/48/556391148.db2.gz WCATUZXCGMGXEO-ZDUSSCGKSA-N 0 0 429.929 3.834 50 0 IHAARN COCCn1c(-c2ccncc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S ZINC000014201361 556391765 /nfs/dbraw/zinc/39/17/65/556391765.db2.gz ZAHFGAMGBAJJOZ-UHFFFAOYSA-N 0 0 437.569 3.675 50 0 IHAARN O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000012048770 556391826 /nfs/dbraw/zinc/39/18/26/556391826.db2.gz ZEIJLTAMXMDZSG-LJQANCHMSA-N 0 0 431.458 3.702 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000032809337 556394070 /nfs/dbraw/zinc/39/40/70/556394070.db2.gz INYPJOMXZWMYOE-UHFFFAOYSA-N 0 0 432.395 3.761 50 0 IHAARN CSCC[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O ZINC000014226981 556395152 /nfs/dbraw/zinc/39/51/52/556395152.db2.gz UIZTUEKYJJUPJD-QZTJIDSGSA-N 0 0 444.553 3.897 50 0 IHAARN CC[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000012074871 556397257 /nfs/dbraw/zinc/39/72/57/556397257.db2.gz IBTHYNZWFWQTCG-FQEVSTJZSA-N 0 0 434.533 3.510 50 0 IHAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCC[C@@H](OCc4ccccn4)C3)o2)s1 ZINC000012076080 556397454 /nfs/dbraw/zinc/39/74/54/556397454.db2.gz YEOMNAQRBVQQJL-QGZVFWFLSA-N 0 0 440.525 3.536 50 0 IHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 ZINC000032810824 556397533 /nfs/dbraw/zinc/39/75/33/556397533.db2.gz DZCVXGGNTWYKIO-ACJLOTCBSA-N 0 0 425.341 3.631 50 0 IHAARN COc1cc(C[C@]2(CCC(=O)NCc3c(F)ccc(C)c3F)CCC(=O)N2)ccc1F ZINC000012184585 556402677 /nfs/dbraw/zinc/40/26/77/556402677.db2.gz WRJAXAQPVHBITQ-QHCPKHFHSA-N 0 0 434.458 3.709 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c3=O)cc1 ZINC000014242772 556403491 /nfs/dbraw/zinc/40/34/91/556403491.db2.gz HWRVRWRMXLQNGJ-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN O=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000014245302 556404983 /nfs/dbraw/zinc/40/49/83/556404983.db2.gz SZIWOJIBXJIHEI-HNNXBMFYSA-N 0 0 426.563 3.646 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(F)cc1 ZINC000032604185 556406689 /nfs/dbraw/zinc/40/66/89/556406689.db2.gz ZSUQWYLRTNKCAG-UHFFFAOYSA-N 0 0 428.489 3.996 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000014249666 556408361 /nfs/dbraw/zinc/40/83/61/556408361.db2.gz VDEARZCBHHNPDS-CYBMUJFWSA-N 0 0 430.839 3.927 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1nnc2ccccn21 ZINC000014249668 556408410 /nfs/dbraw/zinc/40/84/10/556408410.db2.gz VDEARZCBHHNPDS-ZDUSSCGKSA-N 0 0 430.839 3.927 50 0 IHAARN Cc1ccc([C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 ZINC000032819248 556411990 /nfs/dbraw/zinc/41/19/90/556411990.db2.gz FPHLXIUSFHWRIX-FOIQADDNSA-N 0 0 432.542 3.768 50 0 IHAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(Cc4ccccn4)CC3)c12 ZINC000032822883 556412701 /nfs/dbraw/zinc/41/27/01/556412701.db2.gz PNXQAZPJCZCVMG-UHFFFAOYSA-N 0 0 431.471 3.690 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3ncn(-c4ccccc4)n3)c2c1C ZINC000014318457 556412984 /nfs/dbraw/zinc/41/29/84/556412984.db2.gz RWFAKMXOFXAGEI-UHFFFAOYSA-N 0 0 438.582 3.872 50 0 IHAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12 ZINC000014352365 556413938 /nfs/dbraw/zinc/41/39/38/556413938.db2.gz SWCWXWJITXBGQI-AWEZNQCLSA-N 0 0 429.436 3.976 50 0 IHAARN CCn1c2ccccc2c2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc21 ZINC000032671783 556414252 /nfs/dbraw/zinc/41/42/52/556414252.db2.gz ODTFNMQMQLYGKC-AWEZNQCLSA-N 0 0 446.536 3.855 50 0 IHAARN Cc1ccnc(-n2c(SCc3cc(=O)n4cccc(C)c4n3)nc3ccccc3c2=O)c1 ZINC000032671980 556414471 /nfs/dbraw/zinc/41/44/71/556414471.db2.gz PJLQHXWIQGTMGT-UHFFFAOYSA-N 0 0 441.516 3.698 50 0 IHAARN CN(CCCC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000032674178 556415020 /nfs/dbraw/zinc/41/50/20/556415020.db2.gz LHGVDZUJKGJMCM-UHFFFAOYSA-N 0 0 433.549 3.855 50 0 IHAARN CCCCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)n2)cc1 ZINC000032674766 556415606 /nfs/dbraw/zinc/41/56/06/556415606.db2.gz VRTPFKKRBVCIAF-QFIPXVFZSA-N 0 0 426.542 3.812 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(Br)c1 ZINC000012943608 556417358 /nfs/dbraw/zinc/41/73/58/556417358.db2.gz PZBXTWULUQQFDN-UHFFFAOYSA-N 0 0 436.394 3.811 50 0 IHAARN COc1ccc(-c2ccc(CCC(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1 ZINC000032836936 556418539 /nfs/dbraw/zinc/41/85/39/556418539.db2.gz BGLDTYYUMGOZPK-QHCPKHFHSA-N 0 0 434.492 3.770 50 0 IHAARN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C[C@H](C)O1 ZINC000012973310 556419728 /nfs/dbraw/zinc/41/97/28/556419728.db2.gz YNSAWRRUGSATTC-OKILXGFUSA-N 0 0 440.924 3.554 50 0 IHAARN CCn1c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cc2[nH]c(=O)c1=O ZINC000014497961 556419798 /nfs/dbraw/zinc/41/97/98/556419798.db2.gz YHZVKSRTVZFVTP-UHFFFAOYSA-N 0 0 446.532 3.964 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)C3(CC(=O)NC(C)(C)C)CCCC3)cc(=O)oc2c1 ZINC000012974388 556420346 /nfs/dbraw/zinc/42/03/46/556420346.db2.gz ZUMUPXKTYINUJD-UHFFFAOYSA-N 0 0 442.512 3.660 50 0 IHAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C ZINC000012975780 556421356 /nfs/dbraw/zinc/42/13/56/556421356.db2.gz YFTSLKLURJAJOE-NRFANRHFSA-N 0 0 432.307 3.561 50 0 IHAARN Cc1cc(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)c(C)n1C1CC1 ZINC000012979564 556423679 /nfs/dbraw/zinc/42/36/79/556423679.db2.gz AZRMAQJRCKSIRP-UHFFFAOYSA-N 0 0 444.557 3.550 50 0 IHAARN O=C([C@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1)N1CCCCC1 ZINC000012980485 556423852 /nfs/dbraw/zinc/42/38/52/556423852.db2.gz 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COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H](C)c1cccs1 ZINC000014602973 556429273 /nfs/dbraw/zinc/42/92/73/556429273.db2.gz XQDAAQLQZKNEPQ-OAHLLOKOSA-N 0 0 442.562 3.999 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1NC(C)=O ZINC000012994236 556429948 /nfs/dbraw/zinc/42/99/48/556429948.db2.gz QXUQXICHLBBZSG-HNNXBMFYSA-N 0 0 445.566 3.832 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@@H](C)CCO)cnc2n1CCC(C)C ZINC000014742966 556439664 /nfs/dbraw/zinc/43/96/64/556439664.db2.gz GNGZGYPZIWUWEZ-HNNXBMFYSA-N 0 0 442.516 3.897 50 0 IHAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)NC(=O)NC1CCCCC1 ZINC000013027377 556441084 /nfs/dbraw/zinc/44/10/84/556441084.db2.gz JJYJPXMQPGBZJP-MQVJKMGUSA-N 0 0 440.631 3.691 50 0 IHAARN COc1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1N1CCCC1=O ZINC000028041439 556442287 /nfs/dbraw/zinc/44/22/87/556442287.db2.gz MOHGUVDSOXWURV-UHFFFAOYSA-N 0 0 445.401 3.674 50 0 IHAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000028131346 556443910 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CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013164086 556495712 /nfs/dbraw/zinc/49/57/12/556495712.db2.gz MGEGTAQEJLABPT-OAHLLOKOSA-N 0 0 447.582 3.549 50 0 IHAARN Cc1csc(N(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2)n1 ZINC000013165310 556498313 /nfs/dbraw/zinc/49/83/13/556498313.db2.gz JMNNHFKJOBRMOY-MRXNPFEDSA-N 0 0 435.505 3.941 50 0 IHAARN CCN1CCc2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)sc2C1 ZINC000030604930 556499441 /nfs/dbraw/zinc/49/94/41/556499441.db2.gz VANSTKULKYKQJC-UHFFFAOYSA-N 0 0 436.463 3.681 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000015078492 556499873 /nfs/dbraw/zinc/49/98/73/556499873.db2.gz XLVITAXRTXXTFP-RUZDIDTESA-N 0 0 437.515 3.821 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Nc2ncccn2)c1 ZINC000030629416 556500258 /nfs/dbraw/zinc/50/02/58/556500258.db2.gz WJEAWPVKLHCEKE-UHFFFAOYSA-N 0 0 437.525 3.647 50 0 IHAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 ZINC000032879154 556502893 /nfs/dbraw/zinc/50/28/93/556502893.db2.gz INZYWCCVNVHBRG-UHFFFAOYSA-N 0 0 437.887 3.913 50 0 IHAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000032714911 556503095 /nfs/dbraw/zinc/50/30/95/556503095.db2.gz CIWYJPFFQLRGAN-AWEZNQCLSA-N 0 0 426.542 3.637 50 0 IHAARN COc1cc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000015137212 556506215 /nfs/dbraw/zinc/50/62/15/556506215.db2.gz RFQOSGRFFUYLLO-UHFFFAOYSA-N 0 0 446.931 3.534 50 0 IHAARN CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000030815523 556506572 /nfs/dbraw/zinc/50/65/72/556506572.db2.gz UMHGHKKTYHOSSG-WMZOPIPTSA-N 0 0 436.599 3.733 50 0 IHAARN CCCCCn1c(=O)[nH]nc1SCc1cc(=O)[nH]c(C23CC4CC(CC(C4)C2)C3)n1 ZINC000013469602 556507543 /nfs/dbraw/zinc/50/75/43/556507543.db2.gz IPHANCVCORUICU-UHFFFAOYSA-N 0 0 429.590 3.605 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2ncc(-c3ccccc3)nn2)nc1C ZINC000013494695 556508815 /nfs/dbraw/zinc/50/88/15/556508815.db2.gz RBTHJVCJFAKFRB-OAHLLOKOSA-N 0 0 443.554 3.990 50 0 IHAARN O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015190758 556510124 /nfs/dbraw/zinc/51/01/24/556510124.db2.gz UJPIXMTWWIFRKG-UHFFFAOYSA-N 0 0 438.553 3.618 50 0 IHAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000032889383 556512943 /nfs/dbraw/zinc/51/29/43/556512943.db2.gz RSYHFVJLXYXRMO-BRWVUGGUSA-N 0 0 430.574 3.874 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000032894987 556514168 /nfs/dbraw/zinc/51/41/68/556514168.db2.gz AHWLNYADSMWODB-HNNXBMFYSA-N 0 0 439.965 3.520 50 0 IHAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000030879329 556514708 /nfs/dbraw/zinc/51/47/08/556514708.db2.gz QCTFISAYRNNJME-UHFFFAOYSA-N 0 0 427.888 3.942 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCC1 ZINC000013556537 556516820 /nfs/dbraw/zinc/51/68/20/556516820.db2.gz UINNDYXPCUPFCV-YYDVJCTNSA-N 0 0 443.613 3.625 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000013564257 556518221 /nfs/dbraw/zinc/51/82/21/556518221.db2.gz MRIXZMITUCEVGP-XPWALMASSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1cc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1 ZINC000030969235 556518308 /nfs/dbraw/zinc/51/83/08/556518308.db2.gz BDCDYAMUFGOVJV-OAHLLOKOSA-N 0 0 436.603 3.586 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1N1CCCC1 ZINC000030956819 556518395 /nfs/dbraw/zinc/51/83/95/556518395.db2.gz GCRPSYVQTFSHBH-QGZVFWFLSA-N 0 0 433.599 3.696 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N(CCOc2ccc(C)cc2)Cc2ccco2)cc1 ZINC000015315149 556518884 /nfs/dbraw/zinc/51/88/84/556518884.db2.gz RGPSWZXDWWLTQK-UHFFFAOYSA-N 0 0 428.510 3.816 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073756 556518939 /nfs/dbraw/zinc/51/89/39/556518939.db2.gz NZOOGFJKSSPNJE-UHFFFAOYSA-N 0 0 449.576 3.885 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C ZINC000032893358 556521018 /nfs/dbraw/zinc/52/10/18/556521018.db2.gz FXYYKLRZZWTRDI-UHFFFAOYSA-N 0 0 432.933 3.840 50 0 IHAARN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)Cc1ccc(Br)s1 ZINC000015372150 556523417 /nfs/dbraw/zinc/52/34/17/556523417.db2.gz KDTPYKLWDZZAIS-UHFFFAOYSA-N 0 0 441.391 3.709 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@](C)(c3ccc(F)cc3)N(C)C)CC2)cc1F ZINC000072301553 556525153 /nfs/dbraw/zinc/52/51/53/556525153.db2.gz INWMREOBHDUHPJ-RUZDIDTESA-N 0 0 443.538 3.605 50 0 IHAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@H](c3ccccc3)C2=O)c1 ZINC000015412816 556525404 /nfs/dbraw/zinc/52/54/04/556525404.db2.gz VNAGYVVNBJVYDY-XMMPIXPASA-N 0 0 432.476 3.834 50 0 IHAARN Cc1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nn12 ZINC000032088284 556528395 /nfs/dbraw/zinc/52/83/95/556528395.db2.gz GREIOMIDFSXYGX-LBPRGKRZSA-N 0 0 438.841 3.960 50 0 IHAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(CCCN1CCOCC1)C3 ZINC000013593022 556530965 /nfs/dbraw/zinc/53/09/65/556530965.db2.gz FCXWHHHWPKNJAI-UHFFFAOYSA-N 0 0 448.563 3.875 50 0 IHAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000015536279 556533582 /nfs/dbraw/zinc/53/35/82/556533582.db2.gz XBEOCROQNFXJRE-INIZCTEOSA-N 0 0 430.533 3.972 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015586715 556536060 /nfs/dbraw/zinc/53/60/60/556536060.db2.gz KYYKOCGMVQQLTD-INIZCTEOSA-N 0 0 444.532 3.625 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc2c1 ZINC000013625187 556536751 /nfs/dbraw/zinc/53/67/51/556536751.db2.gz RQCLJMUREMHENL-UHFFFAOYSA-N 0 0 436.508 3.514 50 0 IHAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)Cc2nccn2C)cc1OC ZINC000032902643 556540583 /nfs/dbraw/zinc/54/05/83/556540583.db2.gz DROYNWGGYGSCAJ-UHFFFAOYSA-N 0 0 431.496 3.562 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3ccc(SCc4csc(C)n4)cc3)CC2)no1 ZINC000032902641 556540644 /nfs/dbraw/zinc/54/06/44/556540644.db2.gz JRCWWLIPELGRAV-UHFFFAOYSA-N 0 0 428.583 3.998 50 0 IHAARN Cc1sc2ncn(CCC(=O)N3CCC(OCc4ccccc4)CC3)c(=O)c2c1C ZINC000032902760 556540939 /nfs/dbraw/zinc/54/09/39/556540939.db2.gz WDSBHULRCBRKSL-UHFFFAOYSA-N 0 0 425.554 3.673 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1[C@H](C)NC(=O)c1ccco1 ZINC000032579618 556541831 /nfs/dbraw/zinc/54/18/31/556541831.db2.gz PTFUSNDKVYYQDL-ZDUSSCGKSA-N 0 0 431.493 3.560 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000032721826 556547439 /nfs/dbraw/zinc/54/74/39/556547439.db2.gz PTAACPWKHGKFAO-MRXNPFEDSA-N 0 0 437.550 3.626 50 0 IHAARN O=C(CCn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCCc1ccccc1Cl ZINC000032933630 556549589 /nfs/dbraw/zinc/54/95/89/556549589.db2.gz DNKJMAWTFQJZLW-UHFFFAOYSA-N 0 0 440.862 3.593 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000032906668 556553682 /nfs/dbraw/zinc/55/36/82/556553682.db2.gz SVGXZOZJVSHCHC-UHFFFAOYSA-N 0 0 438.521 3.569 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015831239 556554626 /nfs/dbraw/zinc/55/46/26/556554626.db2.gz MFUIYTOZXJNXSB-LJQANCHMSA-N 0 0 439.533 3.548 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831130 556554647 /nfs/dbraw/zinc/55/46/47/556554647.db2.gz KGBCVIRPZPMSAS-QGZVFWFLSA-N 0 0 445.924 3.584 50 0 IHAARN CCOc1cc(CNC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)ccc1OC ZINC000032960072 556555964 /nfs/dbraw/zinc/55/59/64/556555964.db2.gz PYXAWSJWOJSFSA-SFHVURJKSA-N 0 0 438.528 3.780 50 0 IHAARN c1ccc(-c2nnc3n2[C@H](CSc2nnc(NC[C@@H]4CCCO4)s2)CS3)cc1 ZINC000032906022 556557325 /nfs/dbraw/zinc/55/73/25/556557325.db2.gz HQVAOOFSFXOUDZ-KBPBESRZSA-N 0 0 432.600 3.827 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCOC)CC3)cc2)cc1 ZINC000033274732 556559231 /nfs/dbraw/zinc/55/92/31/556559231.db2.gz MVDZXHKDAYPATH-UHFFFAOYSA-N 0 0 430.570 3.624 50 0 IHAARN COc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 ZINC000015869052 556559605 /nfs/dbraw/zinc/55/96/05/556559605.db2.gz RZFCXWIDUFZIHS-UHFFFAOYSA-N 0 0 433.331 3.919 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000015915476 556563369 /nfs/dbraw/zinc/56/33/69/556563369.db2.gz CHKGLNQPVQIUNT-UHFFFAOYSA-N 0 0 438.347 3.517 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000015940533 556566291 /nfs/dbraw/zinc/56/62/91/556566291.db2.gz SXPXBPXCXJOILO-HXUWFJFHSA-N 0 0 448.585 3.542 50 0 IHAARN O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000015938011 556566336 /nfs/dbraw/zinc/56/63/36/556566336.db2.gz XBDUOTCLYFPDLV-UHFFFAOYSA-N 0 0 439.773 3.855 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c1 ZINC000015972768 556570011 /nfs/dbraw/zinc/57/00/11/556570011.db2.gz RXTIMXBQPXTKHI-SQJMNOBHSA-N 0 0 428.444 3.785 50 0 IHAARN CN(C)C(=O)CN(C)[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000072309052 556570206 /nfs/dbraw/zinc/57/02/06/556570206.db2.gz FYWPBELOLNMAFS-HXUWFJFHSA-N 0 0 426.517 3.649 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N1CCOCC1 ZINC000015982800 556571244 /nfs/dbraw/zinc/57/12/44/556571244.db2.gz GVTLJLRWGSHLBQ-UHFFFAOYSA-N 0 0 448.544 3.839 50 0 IHAARN CSCC[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000015990746 556571744 /nfs/dbraw/zinc/57/17/44/556571744.db2.gz CLZDRZIXVWAGAL-IBGZPJMESA-N 0 0 446.956 3.595 50 0 IHAARN O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O ZINC000004581040 556574477 /nfs/dbraw/zinc/57/44/77/556574477.db2.gz CMIWKMVPBRZSGS-HXUWFJFHSA-N 0 0 425.451 3.516 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000016016776 556574507 /nfs/dbraw/zinc/57/45/07/556574507.db2.gz KRBJXXCYNWYLKI-UHFFFAOYSA-N 0 0 444.553 3.592 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2C1=O ZINC000016015154 556574509 /nfs/dbraw/zinc/57/45/09/556574509.db2.gz TVAPLYOGCDWEPR-UHFFFAOYSA-N 0 0 439.471 3.940 50 0 IHAARN COc1ccc(NC(=O)C2(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)CCCC2)cc1OC ZINC000072310327 556575821 /nfs/dbraw/zinc/57/58/21/556575821.db2.gz WOQOYYJUIVEDKM-CQSZACIVSA-N 0 0 448.466 3.817 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 ZINC000032909630 556576530 /nfs/dbraw/zinc/57/65/30/556576530.db2.gz AUANKPDQOMTSDM-HNNXBMFYSA-N 0 0 448.488 3.789 50 0 IHAARN O=C(OCCNc1ncnc2ccccc21)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000072310716 556576758 /nfs/dbraw/zinc/57/67/58/556576758.db2.gz CMFSHFWYVDNNKV-UHFFFAOYSA-N 0 0 447.516 3.873 50 0 IHAARN O=C(N[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 ZINC000032909968 556578310 /nfs/dbraw/zinc/57/83/10/556578310.db2.gz WDHYVLQMHXQGPM-JOCHJYFZSA-N 0 0 447.560 3.640 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000016044809 556578938 /nfs/dbraw/zinc/57/89/38/556578938.db2.gz QJBWDNOMBIQKCB-UHFFFAOYSA-N 0 0 430.448 3.997 50 0 IHAARN CC(C)OC(=O)c1c2c(sc1NC(=O)Cn1c(=O)cnc3ccccc31)C[C@H](C)CC2 ZINC000032910133 556579601 /nfs/dbraw/zinc/57/96/01/556579601.db2.gz OLHPKOPVSRIUMA-CQSZACIVSA-N 0 0 439.537 3.787 50 0 IHAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000016051177 556581460 /nfs/dbraw/zinc/58/14/60/556581460.db2.gz AYJSWRQQADXTJO-GOSISDBHSA-N 0 0 441.553 3.545 50 0 IHAARN Cn1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000016104509 556583364 /nfs/dbraw/zinc/58/33/64/556583364.db2.gz DOIXJUCRQIXBAL-UHFFFAOYSA-N 0 0 429.379 3.822 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000032967249 556587868 /nfs/dbraw/zinc/58/78/68/556587868.db2.gz UEBQQCGGZCHHBI-FUHWJXTLSA-N 0 0 426.344 3.760 50 0 IHAARN C[C@@H]1CN(c2cc(Oc3ccccc3F)ncn2)CCN1C(=O)COCc1ccccc1 ZINC000037356277 556601874 /nfs/dbraw/zinc/60/18/74/556601874.db2.gz IQOGGNTYAZFDCV-GOSISDBHSA-N 0 0 436.487 3.662 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC000016368949 556603689 /nfs/dbraw/zinc/60/36/89/556603689.db2.gz RYJQEQXWICXQMM-LBPRGKRZSA-N 0 0 433.331 3.856 50 0 IHAARN NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccc(Cl)cc3)c(C(F)(F)F)n2)cc1 ZINC000016429724 556607240 /nfs/dbraw/zinc/60/72/40/556607240.db2.gz KYIQFWCJABRIRM-UHFFFAOYSA-N 0 0 445.792 3.557 50 0 IHAARN COc1cccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)c1O ZINC000032914480 556607728 /nfs/dbraw/zinc/60/77/28/556607728.db2.gz WQAAODKUZOHEAZ-CQSZACIVSA-N 0 0 442.903 3.623 50 0 IHAARN O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000016447569 556608072 /nfs/dbraw/zinc/60/80/72/556608072.db2.gz BLJVAROFGVAVRJ-UHFFFAOYSA-N 0 0 439.512 3.589 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3cccc(F)c3)s2)cc1 ZINC000032987828 556608161 /nfs/dbraw/zinc/60/81/61/556608161.db2.gz IECLKZDIXKHETO-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000032988511 556608705 /nfs/dbraw/zinc/60/87/05/556608705.db2.gz OPLORMVTQYYCKP-OAQYLSRUSA-N 0 0 436.943 3.563 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3CC)CC2)cc1C ZINC000016475304 556610377 /nfs/dbraw/zinc/61/03/77/556610377.db2.gz YXEBVEGZMGCEFC-UHFFFAOYSA-N 0 0 430.570 3.996 50 0 IHAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000022973398 556610930 /nfs/dbraw/zinc/61/09/30/556610930.db2.gz CCSFDWRBDYQCRK-UHFFFAOYSA-N 0 0 440.521 3.778 50 0 IHAARN O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000016488459 556612076 /nfs/dbraw/zinc/61/20/76/556612076.db2.gz PVLNRPWVDWTIEH-UHFFFAOYSA-N 0 0 437.521 3.913 50 0 IHAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000038487116 556612810 /nfs/dbraw/zinc/61/28/10/556612810.db2.gz WKXZHYMSRVHNTH-UHFFFAOYSA-N 0 0 435.461 3.501 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2-c2ccc(C)cc2)n1 ZINC000016617374 556618301 /nfs/dbraw/zinc/61/83/01/556618301.db2.gz HGIJGTUTIOVBDS-UHFFFAOYSA-N 0 0 434.529 3.696 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(F)ccc3F)n2)ccc1C ZINC000016625405 556618697 /nfs/dbraw/zinc/61/86/97/556618697.db2.gz XWUSXVQBWCYJTO-CYBMUJFWSA-N 0 0 426.423 3.655 50 0 IHAARN CSCC[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000016646100 556620036 /nfs/dbraw/zinc/62/00/36/556620036.db2.gz FPBOXHFNXNWQMM-FUHWJXTLSA-N 0 0 426.567 3.976 50 0 IHAARN O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1 ZINC000016648318 556620043 /nfs/dbraw/zinc/62/00/43/556620043.db2.gz FNQYJSHSXGRZSJ-UHFFFAOYSA-N 0 0 426.567 3.876 50 0 IHAARN COc1cccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000033670425 556620644 /nfs/dbraw/zinc/62/06/44/556620644.db2.gz XYFCRHGYVKDBRQ-HKWRFOASSA-N 0 0 443.459 3.810 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3F)n2)ccc1C ZINC000016652077 556621010 /nfs/dbraw/zinc/62/10/10/556621010.db2.gz NHWUSIIAACGTJL-ZDUSSCGKSA-N 0 0 426.423 3.655 50 0 IHAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Br)cc2)c(C(N)=O)c1C ZINC000016676422 556622340 /nfs/dbraw/zinc/62/23/40/556622340.db2.gz DPEODMATMRMPAG-RMKNXTFCSA-N 0 0 437.315 3.747 50 0 IHAARN CCOCc1cc(CN2CCN(Cc3ccccc3OCC)[C@H](CCO)C2)ccc1OC ZINC000039429831 556628700 /nfs/dbraw/zinc/62/87/00/556628700.db2.gz GOGJZNJUYHNXMC-XMMPIXPASA-N 0 0 442.600 3.699 50 0 IHAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(-n2cnnn2)cc1 ZINC000016707645 556630159 /nfs/dbraw/zinc/63/01/59/556630159.db2.gz HOTXUFCFAZIPBR-UHFFFAOYSA-N 0 0 426.889 3.532 50 0 IHAARN CCCCCOc1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 ZINC000016742070 556636108 /nfs/dbraw/zinc/63/61/08/556636108.db2.gz QVAXQMHTTGOUOW-PLDFPGSMSA-N 0 0 449.532 3.780 50 0 IHAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000016742580 556636627 /nfs/dbraw/zinc/63/66/27/556636627.db2.gz QMAVWIRJHCDIAZ-HKUYNNGSSA-N 0 0 433.570 3.869 50 0 IHAARN COCc1nn2c(nnc3c2ccn(Cc2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040391144 556637939 /nfs/dbraw/zinc/63/79/39/556637939.db2.gz ZDAIIGWSGOMUNC-UHFFFAOYSA-N 0 0 431.883 3.954 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000016753718 556638436 /nfs/dbraw/zinc/63/84/36/556638436.db2.gz RHBLOEOSIFGACH-UHFFFAOYSA-N 0 0 446.912 3.873 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000016753982 556638645 /nfs/dbraw/zinc/63/86/45/556638645.db2.gz HSJHUQLQDFRWNN-HNNXBMFYSA-N 0 0 426.494 3.608 50 0 IHAARN CC[C@@H](C)NC(=O)CN1C(=O)COc2ccc(C(=O)COc3c(C)cc(C)cc3C)cc21 ZINC000037512643 556638706 /nfs/dbraw/zinc/63/87/06/556638706.db2.gz NQMCGKNBRDVPLE-GOSISDBHSA-N 0 0 438.524 3.514 50 0 IHAARN FC(F)(F)[C@H]1CCCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000016838027 556645450 /nfs/dbraw/zinc/64/54/50/556645450.db2.gz VWVVRDMKFMVZNE-KRWDZBQOSA-N 0 0 441.523 3.531 50 0 IHAARN CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011726355 556646668 /nfs/dbraw/zinc/64/66/68/556646668.db2.gz GGCDIVIEUAOYBU-GHVJWSGMSA-N 0 0 443.594 3.947 50 0 IHAARN CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011726357 556646669 /nfs/dbraw/zinc/64/66/69/556646669.db2.gz XNYFVDYUGMEVSY-QURGRASLSA-N 0 0 429.567 3.557 50 0 IHAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000011726427 556646875 /nfs/dbraw/zinc/64/68/75/556646875.db2.gz SDYXLKUUSSTWLB-GHVJWSGMSA-N 0 0 439.562 3.867 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1OC)C[C@H](C)S2 ZINC000011726501 556647096 /nfs/dbraw/zinc/64/70/96/556647096.db2.gz FBPQOFIUSHPVAY-JTQLQIEISA-N 0 0 425.963 3.693 50 0 IHAARN Cc1cccc(-c2nn(CN3CCC(C(=O)N4CCCCCC4)CC3)c(=S)n2C)c1 ZINC000016877014 556648029 /nfs/dbraw/zinc/64/80/29/556648029.db2.gz JUDKBXUCQPPWHS-UHFFFAOYSA-N 0 0 427.618 3.999 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751594 556650974 /nfs/dbraw/zinc/65/09/74/556650974.db2.gz OHYNDKIZHSBADB-GOSISDBHSA-N 0 0 429.473 3.600 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752128 556651161 /nfs/dbraw/zinc/65/11/61/556651161.db2.gz MWTSBCLFHBZNBQ-UHFFFAOYSA-N 0 0 431.857 3.658 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000016975297 556651826 /nfs/dbraw/zinc/65/18/26/556651826.db2.gz FQKBVECUGJMVOF-JOCHJYFZSA-N 0 0 439.899 3.713 50 0 IHAARN COc1ccccc1CNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O ZINC000032999238 556652926 /nfs/dbraw/zinc/65/29/26/556652926.db2.gz AODSPHLWXJZGEH-UHFFFAOYSA-N 0 0 448.498 3.658 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000017014949 556653022 /nfs/dbraw/zinc/65/30/22/556653022.db2.gz KJRNHFZVJFXHIB-FQEVSTJZSA-N 0 0 441.553 3.761 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)nc1C ZINC000017015671 556653064 /nfs/dbraw/zinc/65/30/64/556653064.db2.gz JOAUKCDCJHUJLK-CQSZACIVSA-N 0 0 428.876 3.730 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000032925904 556655187 /nfs/dbraw/zinc/65/51/87/556655187.db2.gz IXFVOHLHNAWDQW-PBHICJAKSA-N 0 0 444.391 3.565 50 0 IHAARN O=S(=O)(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc(-c2ccccc2)cc1 ZINC000011796882 556657181 /nfs/dbraw/zinc/65/71/81/556657181.db2.gz HDEYPMXIEMBYSP-UHFFFAOYSA-N 0 0 446.536 3.673 50 0 IHAARN COc1cc(NS(=O)(=O)Cc2ccccc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000017094874 556657832 /nfs/dbraw/zinc/65/78/32/556657832.db2.gz CNZFSLFFXWOPBB-UHFFFAOYSA-N 0 0 426.494 3.898 50 0 IHAARN COc1ccc(CCNC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1OC ZINC000011834951 556659342 /nfs/dbraw/zinc/65/93/42/556659342.db2.gz DDDXPGIOPNVQBV-UHFFFAOYSA-N 0 0 445.566 3.766 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1 ZINC000011835248 556659644 /nfs/dbraw/zinc/65/96/44/556659644.db2.gz ZBEJHALWUFDYBU-UHFFFAOYSA-N 0 0 444.538 3.995 50 0 IHAARN CCOc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000033011994 556660519 /nfs/dbraw/zinc/66/05/19/556660519.db2.gz XNDLBPNFUMPMIW-UHFFFAOYSA-N 0 0 428.539 3.598 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000017101956 556666289 /nfs/dbraw/zinc/66/62/89/556666289.db2.gz LQCQOJFRBLNHMV-UHFFFAOYSA-N 0 0 438.347 3.647 50 0 IHAARN CCCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs/c1=N\c1ccccc1 ZINC000013511435 556667661 /nfs/dbraw/zinc/66/76/61/556667661.db2.gz LLKIAFYGTQYMLA-FCQUAONHSA-N 0 0 443.594 3.880 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000017134403 556669128 /nfs/dbraw/zinc/66/91/28/556669128.db2.gz JDVVKQXLICKDMU-JXFKEZNVSA-N 0 0 440.565 3.726 50 0 IHAARN COCc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)o1 ZINC000011911005 556670098 /nfs/dbraw/zinc/67/00/98/556670098.db2.gz KSXPZXXQCRFTOV-DHZHZOJOSA-N 0 0 445.519 3.658 50 0 IHAARN O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000011907132 556671813 /nfs/dbraw/zinc/67/18/13/556671813.db2.gz SAOJJBMDMYNFQM-HSZRJFAPSA-N 0 0 431.517 3.817 50 0 IHAARN Nc1nc(CSc2nnnn2-c2ccccc2)nc(Nc2ccc3ccccc3c2)n1 ZINC000017195333 556672649 /nfs/dbraw/zinc/67/26/49/556672649.db2.gz VMXVOOYSURCIKR-UHFFFAOYSA-N 0 0 427.497 3.619 50 0 IHAARN CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O ZINC000011914912 556674097 /nfs/dbraw/zinc/67/40/97/556674097.db2.gz MXCNQTZATOTCCI-HSZRJFAPSA-N 0 0 437.496 3.777 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1S(=O)(=O)NC(C)C ZINC000011918168 556674764 /nfs/dbraw/zinc/67/47/64/556674764.db2.gz LGGXVJLXYIYEGG-UHFFFAOYSA-N 0 0 446.525 3.676 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000033019430 556676458 /nfs/dbraw/zinc/67/64/58/556676458.db2.gz FUERERNJRVDGEL-HNNXBMFYSA-N 0 0 442.509 3.711 50 0 IHAARN Cc1ccc(N2N=C(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)CCC2=O)cc1Cl ZINC000011956422 556676742 /nfs/dbraw/zinc/67/67/42/556676742.db2.gz ZCDWHOGQVYKGOB-FQEVSTJZSA-N 0 0 427.888 3.504 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000032932154 556677212 /nfs/dbraw/zinc/67/72/12/556677212.db2.gz BCNNASFCNRBUJQ-UHFFFAOYSA-N 0 0 441.329 3.713 50 0 IHAARN COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1 ZINC000012007712 556680620 /nfs/dbraw/zinc/68/06/20/556680620.db2.gz BNEFRAWAGHAAEW-UHFFFAOYSA-N 0 0 449.467 3.609 50 0 IHAARN Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(Cl)cc2)[nH]c(=O)c1C ZINC000012008283 556680970 /nfs/dbraw/zinc/68/09/70/556680970.db2.gz IUGGFBALUGAMEU-UHFFFAOYSA-N 0 0 439.859 3.503 50 0 IHAARN Cc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)s1 ZINC000033022535 556687401 /nfs/dbraw/zinc/68/74/01/556687401.db2.gz KXGQHTGLGNZQMC-UHFFFAOYSA-N 0 0 435.553 3.678 50 0 IHAARN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000018244624 556687893 /nfs/dbraw/zinc/68/78/93/556687893.db2.gz DWATYEFPQXBCNU-OALUTQOASA-N 0 0 440.858 3.670 50 0 IHAARN Cc1cc(C)cc(NC(=O)C[C@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000046005474 556689575 /nfs/dbraw/zinc/68/95/75/556689575.db2.gz KLGBUORSMICACC-QGZVFWFLSA-N 0 0 433.487 3.844 50 0 IHAARN Cc1cc(C)cc(NC(=O)C[C@@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000046005470 556689586 /nfs/dbraw/zinc/68/95/86/556689586.db2.gz KLGBUORSMICACC-KRWDZBQOSA-N 0 0 433.487 3.844 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)Nc4ccc(C)cc4)nnc3c2=O)cc1 ZINC000046005717 556689881 /nfs/dbraw/zinc/68/98/81/556689881.db2.gz BPLDLFHDSOUILM-SFHVURJKSA-N 0 0 445.523 3.795 50 0 IHAARN CN(C)C(=O)N[C@@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000000825909 556690053 /nfs/dbraw/zinc/69/00/53/556690053.db2.gz AGZFVIIRGDFLJB-SECBINFHSA-N 0 0 436.508 3.671 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1OC ZINC000065113408 556691221 /nfs/dbraw/zinc/69/12/21/556691221.db2.gz TUJBKNBTHXDREW-UHFFFAOYSA-N 0 0 444.491 3.856 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NCc3ccc(C)o3)CC2)c1C ZINC000033024189 556694737 /nfs/dbraw/zinc/69/47/37/556694737.db2.gz VUXNUQSSYLHNSZ-HNNXBMFYSA-N 0 0 443.544 3.514 50 0 IHAARN COc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCCC4)s3)c(=O)oc2c1OC ZINC000072325959 556723998 /nfs/dbraw/zinc/72/39/98/556723998.db2.gz NGRXCJWQZFZCBT-UHFFFAOYSA-N 0 0 429.498 3.809 50 0 biogenic IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2ccccc2)c1 ZINC000005200096 556724332 /nfs/dbraw/zinc/72/43/32/556724332.db2.gz BSHWANGIDJTZNT-UHFFFAOYSA-N 0 0 429.586 3.889 50 0 IHAARN COc1ccc(CNC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)cc1OC ZINC000061719128 556726010 /nfs/dbraw/zinc/72/60/10/556726010.db2.gz AFMKHJSAGCUYNX-UHFFFAOYSA-N 0 0 435.524 3.537 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000054147121 556729241 /nfs/dbraw/zinc/72/92/41/556729241.db2.gz UAUFVTAMMZPMEA-UHFFFAOYSA-N 0 0 443.477 3.847 50 0 IHAARN Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000054147057 556729243 /nfs/dbraw/zinc/72/92/43/556729243.db2.gz XRTDCPDZERUVQC-UHFFFAOYSA-N 0 0 430.343 3.826 50 0 IHAARN COc1cccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)c1 ZINC000055107727 556734920 /nfs/dbraw/zinc/73/49/20/556734920.db2.gz YKKPQIQCKYUUCF-OAQYLSRUSA-N 0 0 439.585 3.785 50 0 IHAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013792713 556738231 /nfs/dbraw/zinc/73/82/31/556738231.db2.gz VRWIJAUMZBWKNN-CQSZACIVSA-N 0 0 434.370 3.870 50 0 IHAARN COc1ccc([C@H](C)NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1OC ZINC000033048961 556746052 /nfs/dbraw/zinc/74/60/52/556746052.db2.gz CBTUXVSUOHZVHR-KRWDZBQOSA-N 0 0 443.503 3.958 50 0 IHAARN O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013854867 556746673 /nfs/dbraw/zinc/74/66/73/556746673.db2.gz GJPKPSUAGKJMGU-UHFFFAOYSA-N 0 0 439.874 3.891 50 0 IHAARN CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 ZINC000057256236 556747124 /nfs/dbraw/zinc/74/71/24/556747124.db2.gz KNPYMOWDLIKHOY-YLJYHZDGSA-N 0 0 438.549 3.745 50 0 IHAARN C[C@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019371422 556748500 /nfs/dbraw/zinc/74/85/00/556748500.db2.gz ZHECCKBMTPKDEB-IBGZPJMESA-N 0 0 445.563 3.953 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)c1 ZINC000096366836 556749159 /nfs/dbraw/zinc/74/91/59/556749159.db2.gz IQERFCTYPOEYIW-CQSZACIVSA-N 0 0 438.343 3.536 50 0 IHAARN CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000058004662 556752387 /nfs/dbraw/zinc/75/23/87/556752387.db2.gz CKIQXULCFAOGAE-UHFFFAOYSA-N 0 0 431.455 3.676 50 0 IHAARN CN(CCCNC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)S(C)(=O)=O ZINC000058133664 556760283 /nfs/dbraw/zinc/76/02/83/556760283.db2.gz PKJCFYMRDALXCC-UHFFFAOYSA-N 0 0 447.344 3.584 50 0 IHAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(-c2ccccc2)oc1C ZINC000058156739 556762851 /nfs/dbraw/zinc/76/28/51/556762851.db2.gz WJKMAQJCWFJGLH-QHCPKHFHSA-N 0 0 430.508 3.537 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000058159990 556764123 /nfs/dbraw/zinc/76/41/23/556764123.db2.gz PFUMKNVTWBNPPR-UHFFFAOYSA-N 0 0 426.904 3.605 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000058160758 556764723 /nfs/dbraw/zinc/76/47/23/556764723.db2.gz QHMKXIMZJZEZJB-HZPDHXFCSA-N 0 0 432.362 3.860 50 0 IHAARN CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000058161364 556765186 /nfs/dbraw/zinc/76/51/86/556765186.db2.gz NSVJETDSXZDOTP-UHFFFAOYSA-N 0 0 434.367 3.677 50 0 IHAARN CCN(C(C)=O)c1nc(/C=C2\SC(=O)N(Cc3ccc(C(=O)OC)cc3)C2=O)cs1 ZINC000058162663 556766036 /nfs/dbraw/zinc/76/60/36/556766036.db2.gz XJLPMEXGHPFUQW-SXGWCWSVSA-N 0 0 445.522 3.539 50 0 IHAARN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000058225055 556773783 /nfs/dbraw/zinc/77/37/83/556773783.db2.gz LVYUNTPDTDPJFF-QGZVFWFLSA-N 0 0 427.508 3.501 50 0 IHAARN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000058244683 556774837 /nfs/dbraw/zinc/77/48/37/556774837.db2.gz UTZNCWFJTLZRNC-AWEZNQCLSA-N 0 0 430.302 3.708 50 0 IHAARN Cn1nnnc1-c1cccc(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000058247621 556775557 /nfs/dbraw/zinc/77/55/57/556775557.db2.gz IILNXSZTEVITIM-UHFFFAOYSA-N 0 0 442.483 3.843 50 0 IHAARN COc1ccc([C@H](NC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)c2ccccc2)cc1 ZINC000058251616 556775903 /nfs/dbraw/zinc/77/59/03/556775903.db2.gz UUJYZWIGAVDIOR-OPAMFIHVSA-N 0 0 428.492 3.596 50 0 IHAARN COc1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1 ZINC000058281067 556777192 /nfs/dbraw/zinc/77/71/92/556777192.db2.gz WFNYHOTWPYANGP-HXUWFJFHSA-N 0 0 436.516 3.775 50 0 IHAARN Cc1csc(-c2cccc(NCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)n1 ZINC000058282114 556777238 /nfs/dbraw/zinc/77/72/38/556777238.db2.gz DULHZIGIIUREFG-UHFFFAOYSA-N 0 0 444.582 3.728 50 0 IHAARN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000058312344 556780088 /nfs/dbraw/zinc/78/00/88/556780088.db2.gz WCDUNZXTKJKEQM-LSDHHAIUSA-N 0 0 425.367 3.737 50 0 IHAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(-n3cncn3)nc2)cc1OC ZINC000058328357 556781278 /nfs/dbraw/zinc/78/12/78/556781278.db2.gz BALSLWLTGBRQEL-IBGZPJMESA-N 0 0 436.516 3.699 50 0 IHAARN CN(C(=O)c1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1Cl)C1CCCCC1 ZINC000058405256 556785784 /nfs/dbraw/zinc/78/57/84/556785784.db2.gz ZRALDHKXWGZHKW-UHFFFAOYSA-N 0 0 434.968 3.925 50 0 IHAARN O=C(NC1CCCCC1)N1CCC[C@H]1C(=O)Oc1ccc(I)cc1 ZINC000058407621 556786331 /nfs/dbraw/zinc/78/63/31/556786331.db2.gz DJWLORBAQHMRMS-INIZCTEOSA-N 0 0 442.297 3.703 50 0 IHAARN O=C(Nc1cccc(Br)n1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058423447 556787394 /nfs/dbraw/zinc/78/73/94/556787394.db2.gz GEJFIXUSVQHUNG-GFCCVEGCSA-N 0 0 442.235 3.850 50 0 IHAARN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cncc(Br)c2)CC1 ZINC000058432892 556787840 /nfs/dbraw/zinc/78/78/40/556787840.db2.gz FDEDVTZSSSHYQF-UHFFFAOYSA-N 0 0 437.725 3.878 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1CC(F)(F)F)N1CCc2ccccc2C1 ZINC000058434422 556788267 /nfs/dbraw/zinc/78/82/67/556788267.db2.gz XAKRFNPFUBQNHE-UHFFFAOYSA-N 0 0 433.459 3.579 50 0 IHAARN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000058700552 556791266 /nfs/dbraw/zinc/79/12/66/556791266.db2.gz ASMFANDRFACBHI-UHFFFAOYSA-N 0 0 443.338 3.930 50 0 IHAARN O=C(CCc1ccco1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000019537797 556794478 /nfs/dbraw/zinc/79/44/78/556794478.db2.gz RTRVBCSASROHCL-QHCPKHFHSA-N 0 0 437.584 3.575 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000059420844 556800155 /nfs/dbraw/zinc/80/01/55/556800155.db2.gz INIZOHRAGOCDBC-GFCCVEGCSA-N 0 0 431.377 3.881 50 0 IHAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCc1ccco1 ZINC000002622638 556800563 /nfs/dbraw/zinc/80/05/63/556800563.db2.gz CAIFSZGBDZOLOM-UHFFFAOYSA-N 0 0 434.477 3.665 50 0 IHAARN O=C(CNC(=O)c1ccccc1OCCOc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000002626512 556800702 /nfs/dbraw/zinc/80/07/02/556800702.db2.gz DPERKKGGDAUGDK-UHFFFAOYSA-N 0 0 444.409 3.930 50 0 IHAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401973 556801948 /nfs/dbraw/zinc/80/19/48/556801948.db2.gz XZEKDILIYOACTD-HTAPYJJXSA-N 0 0 444.535 3.655 50 0 IHAARN O=C(CN1CCCN(c2nccs2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000060099638 556806669 /nfs/dbraw/zinc/80/66/69/556806669.db2.gz PNVJNCZGBTZBGC-HXUWFJFHSA-N 0 0 430.574 3.762 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000033059102 556808246 /nfs/dbraw/zinc/80/82/46/556808246.db2.gz MUUSSVKHAJDJLS-AWEZNQCLSA-N 0 0 443.429 3.981 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 ZINC000003306226 556809240 /nfs/dbraw/zinc/80/92/40/556809240.db2.gz LDAZQWRDNZOCOJ-LBPRGKRZSA-N 0 0 441.534 3.781 50 0 IHAARN CCCCN1C(=S)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202577 556809973 /nfs/dbraw/zinc/80/99/73/556809973.db2.gz UVXOIVOBQJJKDD-SFHVURJKSA-N 0 0 429.502 3.835 50 0 IHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097940857 556811427 /nfs/dbraw/zinc/81/14/27/556811427.db2.gz BUSQBDDWPVEHPS-UHFFFAOYSA-N 0 0 442.541 3.738 50 0 IHAARN COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000003338147 556812756 /nfs/dbraw/zinc/81/27/56/556812756.db2.gz VIQXONTWTITCJC-VIZOYTHASA-N 0 0 434.217 3.867 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000003495870 556816883 /nfs/dbraw/zinc/81/68/83/556816883.db2.gz FKSRMLYQQDFJQW-UHFFFAOYSA-N 0 0 433.537 3.689 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1F ZINC000003608888 556817993 /nfs/dbraw/zinc/81/79/93/556817993.db2.gz YHTVEHGRQCXXJZ-UHFFFAOYSA-N 0 0 426.469 3.838 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063205 556818720 /nfs/dbraw/zinc/81/87/20/556818720.db2.gz OOSGNGALFHBSLC-SBUREZEXSA-N 0 0 435.549 3.840 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000033062831 556819273 /nfs/dbraw/zinc/81/92/73/556819273.db2.gz YNCQUWGICQTXMJ-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(S(C)(=O)=O)CC2)cc1 ZINC000005500726 556819992 /nfs/dbraw/zinc/81/99/92/556819992.db2.gz VFYZGVZRHPPMOJ-NRFANRHFSA-N 0 0 425.554 3.599 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N3CC(Oc4nc5ccccc5s4)C3)[nH]n2)c1 ZINC000206657387 556826666 /nfs/dbraw/zinc/82/66/66/556826666.db2.gz DTRDKPGZYUQNNM-UHFFFAOYSA-N 0 0 436.493 3.607 50 0 IHAARN CCN(C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000005572412 556826728 /nfs/dbraw/zinc/82/67/28/556826728.db2.gz DHZPCPKYZORXQO-QGZVFWFLSA-N 0 0 426.488 3.663 50 0 IHAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000064893658 556828588 /nfs/dbraw/zinc/82/85/88/556828588.db2.gz PRNKDDCLKVMQEE-UHFFFAOYSA-N 0 0 435.450 3.655 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)OCc3cc(Cl)c4c(c3)OCCCO4)c(C)n2n1 ZINC000019615781 556831664 /nfs/dbraw/zinc/83/16/64/556831664.db2.gz HNMAGYWNJQFVHJ-UHFFFAOYSA-N 0 0 448.932 3.564 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccncc1)cc2=O)Nc1cc(F)ccc1F ZINC000065305068 556833238 /nfs/dbraw/zinc/83/32/38/556833238.db2.gz URNPJWWIKBDXJE-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 ZINC000065362139 556833973 /nfs/dbraw/zinc/83/39/73/556833973.db2.gz XJMXSEMRRDWMML-LJQANCHMSA-N 0 0 432.528 3.834 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc(OC)c1OC ZINC000019636452 556835291 /nfs/dbraw/zinc/83/52/91/556835291.db2.gz KNVQAFCWBDJUDQ-UHFFFAOYSA-N 0 0 442.541 3.856 50 0 IHAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccc5ccccc5c4)CC3)nn2)n1 ZINC000065365303 556835991 /nfs/dbraw/zinc/83/59/91/556835991.db2.gz PAGNYKWGDZCKDP-UHFFFAOYSA-N 0 0 427.512 3.786 50 0 IHAARN Cc1oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000008765108 556845716 /nfs/dbraw/zinc/84/57/16/556845716.db2.gz AUIGEIJKGQDLJL-JOCHJYFZSA-N 0 0 429.472 3.997 50 0 biogenic IHAARN COc1ccc(-c2csc(NC(=O)CN3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000096887450 556848266 /nfs/dbraw/zinc/84/82/66/556848266.db2.gz OYVYRISACOYHGJ-UHFFFAOYSA-N 0 0 438.553 3.588 50 0 IHAARN COc1ccccc1OCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000068713451 556849455 /nfs/dbraw/zinc/84/94/55/556849455.db2.gz NNZOLOOPVAFVPH-XMMPIXPASA-N 0 0 437.517 3.951 50 0 IHAARN CCOc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2OC)cc(Cl)c1OC ZINC000008883709 556850707 /nfs/dbraw/zinc/85/07/07/556850707.db2.gz TYKFXPKULXWRBM-MDZDMXLPSA-N 0 0 433.888 3.629 50 0 IHAARN O=C(NCCc1cccs1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071353 556851891 /nfs/dbraw/zinc/85/18/91/556851891.db2.gz ZNAHJIYOVAQJKX-CYBMUJFWSA-N 0 0 433.375 3.962 50 0 IHAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000033072536 556852227 /nfs/dbraw/zinc/85/22/27/556852227.db2.gz KXPHTPICKGNUEV-UHFFFAOYSA-N 0 0 428.492 3.847 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCc3ccc(OC)cc3OC)C2)s1 ZINC000033078482 556853454 /nfs/dbraw/zinc/85/34/54/556853454.db2.gz NNLJXJZWCONOSX-INIZCTEOSA-N 0 0 440.569 3.804 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O ZINC000033087936 556855707 /nfs/dbraw/zinc/85/57/07/556855707.db2.gz JLUGZAIHZGYFPC-UHFFFAOYSA-N 0 0 438.487 3.611 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000033088337 556856226 /nfs/dbraw/zinc/85/62/26/556856226.db2.gz MFEMMJBIYXACKK-UHFFFAOYSA-N 0 0 434.496 3.655 50 0 IHAARN COc1cc(NC(=O)c2nc3ccccc3n(Cc3ccccc3)c2=O)cc(OC)c1OC ZINC000033085922 556857014 /nfs/dbraw/zinc/85/70/14/556857014.db2.gz DOXVSUGOVYOIGA-UHFFFAOYSA-N 0 0 445.475 3.723 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)N1CCN(c2nc3ccccc3n2CC)CC1)c1ccccc1 ZINC000033106455 556859123 /nfs/dbraw/zinc/85/91/23/556859123.db2.gz HOUDUWFBXHBDQI-NRFANRHFSA-N 0 0 449.555 3.582 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)cc1 ZINC000033122282 556863223 /nfs/dbraw/zinc/86/32/23/556863223.db2.gz SAIJXTHYHPWRFK-UHFFFAOYSA-N 0 0 441.538 3.702 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128200 556865272 /nfs/dbraw/zinc/86/52/72/556865272.db2.gz OTNHHRVZFCQALY-OAHLLOKOSA-N 0 0 443.956 4.000 50 0 IHAARN CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc21 ZINC000033129712 556869023 /nfs/dbraw/zinc/86/90/23/556869023.db2.gz XVDYMKPPMOBGFF-UHFFFAOYSA-N 0 0 447.988 3.861 50 0 IHAARN Cc1ccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1C ZINC000033129830 556869214 /nfs/dbraw/zinc/86/92/14/556869214.db2.gz FSNSPVORYQEZOU-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN COC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033131166 556871722 /nfs/dbraw/zinc/87/17/22/556871722.db2.gz FRPZCDIIQRRZFN-UHFFFAOYSA-N 0 0 425.872 3.744 50 0 IHAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)cc2)c1 ZINC000019741052 556882480 /nfs/dbraw/zinc/88/24/80/556882480.db2.gz BBAJTTIPGWOYFE-HXUWFJFHSA-N 0 0 431.492 3.541 50 0 IHAARN COc1cccc(-c2nccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)c1 ZINC000033174745 556884174 /nfs/dbraw/zinc/88/41/74/556884174.db2.gz WWDLENSNJNXIOU-UHFFFAOYSA-N 0 0 426.879 3.907 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCC(C)CC1 ZINC000033170676 556886404 /nfs/dbraw/zinc/88/64/04/556886404.db2.gz RFVGQSIXJHJKBI-WQLSENKSSA-N 0 0 447.557 3.977 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000004699317 556887245 /nfs/dbraw/zinc/88/72/45/556887245.db2.gz SKGLQBSSODAWOO-INIZCTEOSA-N 0 0 429.590 3.638 50 0 IHAARN Cc1nc2cccnc2n1-c1cc(C(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1Cl ZINC000033249855 556891298 /nfs/dbraw/zinc/89/12/98/556891298.db2.gz JAYXWDNHUGQFNC-CQSZACIVSA-N 0 0 425.920 3.513 50 0 IHAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCCN4CCOCC4)cc3)ncn2)c1 ZINC000033261175 556898761 /nfs/dbraw/zinc/89/87/61/556898761.db2.gz PUHGFQLMQLUWCD-UHFFFAOYSA-N 0 0 431.540 3.648 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019790070 556914796 /nfs/dbraw/zinc/91/47/96/556914796.db2.gz BFTFLULWXDKCSB-UHFFFAOYSA-N 0 0 429.767 3.609 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)c1 ZINC000019796547 556916291 /nfs/dbraw/zinc/91/62/91/556916291.db2.gz OQVQWFJVGIXRPF-NSHDSACASA-N 0 0 425.466 3.799 50 0 IHAARN O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000019831812 556927141 /nfs/dbraw/zinc/92/71/41/556927141.db2.gz VHNOBVBILMOHGV-JOCHJYFZSA-N 0 0 434.511 3.619 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019860405 556932761 /nfs/dbraw/zinc/93/27/61/556932761.db2.gz JJCGGVIYNIKALT-SFHVURJKSA-N 0 0 434.945 3.723 50 0 IHAARN O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000019897339 556940586 /nfs/dbraw/zinc/94/05/86/556940586.db2.gz CCXKVTLSGOVLBX-UHFFFAOYSA-N 0 0 429.520 3.668 50 0 IHAARN CC(=O)c1cc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 ZINC000019939021 556952901 /nfs/dbraw/zinc/95/29/01/556952901.db2.gz PTRGUEZQEVYGLQ-HXUWFJFHSA-N 0 0 440.613 3.687 50 0 IHAARN CCOC(=O)[C@@](NCCc1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000019938839 556953000 /nfs/dbraw/zinc/95/30/00/556953000.db2.gz QBVAMSQCACEPOM-LJQANCHMSA-N 0 0 428.838 3.724 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1F ZINC000019939487 556953167 /nfs/dbraw/zinc/95/31/67/556953167.db2.gz MLLIWGCWOZFWIH-OAQYLSRUSA-N 0 0 445.372 3.896 50 0 IHAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1)NC1CCCC1 ZINC000033264933 556974836 /nfs/dbraw/zinc/97/48/36/556974836.db2.gz MKQFTNWTMVWRFN-UHFFFAOYSA-N 0 0 434.565 3.953 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000033265303 556975328 /nfs/dbraw/zinc/97/53/28/556975328.db2.gz BUWZGXIMARFECD-UHFFFAOYSA-N 0 0 447.564 3.780 50 0 IHAARN COC(=O)[C@@H](C)Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057744 556975346 /nfs/dbraw/zinc/97/53/46/556975346.db2.gz KDNZPNKEXMKGCL-GFCCVEGCSA-N 0 0 444.582 3.609 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266488 556976931 /nfs/dbraw/zinc/97/69/31/556976931.db2.gz OOBBFSOHDLDYFB-UHFFFAOYSA-N 0 0 441.535 3.938 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097087111 556983295 /nfs/dbraw/zinc/98/32/95/556983295.db2.gz NSHCUZPMNGKMJO-QGZVFWFLSA-N 0 0 431.452 3.941 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033268544 556985139 /nfs/dbraw/zinc/98/51/39/556985139.db2.gz OBGSEYVAYGAQKE-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 ZINC000033268617 556985232 /nfs/dbraw/zinc/98/52/32/556985232.db2.gz KDHMHSBAFVVAFN-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033269078 556987900 /nfs/dbraw/zinc/98/79/00/556987900.db2.gz QQBYCCAWGLKNHX-AWEZNQCLSA-N 0 0 431.309 3.997 50 0 IHAARN Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000097112518 556989613 /nfs/dbraw/zinc/98/96/13/556989613.db2.gz ZJKQGYPLFXKFQS-UHFFFAOYSA-N 0 0 442.397 3.824 50 0 IHAARN COC(=O)CN[C@H](c1ccc(C)cc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000097165856 556994771 /nfs/dbraw/zinc/99/47/71/556994771.db2.gz DZPSTCRJXKFPKS-XMMPIXPASA-N 0 0 438.549 3.956 50 0 IHAARN Cc1cc(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)cc(C)c1OCc1ccccn1 ZINC000097165690 556994779 /nfs/dbraw/zinc/99/47/79/556994779.db2.gz ALINFADBBPGLIA-QFIPXVFZSA-N 0 0 446.551 3.881 50 0 IHAARN COc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c(F)c1 ZINC000020211557 556998650 /nfs/dbraw/zinc/99/86/50/556998650.db2.gz PNBVIENCLINFAH-IBGZPJMESA-N 0 0 426.454 3.922 50 0 IHAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2csc(C(C)C)n2)c1 ZINC000077351970 556998934 /nfs/dbraw/zinc/99/89/34/556998934.db2.gz YVTCJXFLDYJVFS-UHFFFAOYSA-N 0 0 431.558 3.595 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000011247079 556999327 /nfs/dbraw/zinc/99/93/27/556999327.db2.gz VWHITTZYOQJAIZ-QGZVFWFLSA-N 0 0 444.276 3.842 50 0 IHAARN Cc1ccc(CNC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 ZINC000023126302 557007858 /nfs/dbraw/zinc/00/78/58/557007858.db2.gz QNBWIFDVYFSRIX-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1 ZINC000096936053 557009728 /nfs/dbraw/zinc/00/97/28/557009728.db2.gz APGFAMVDWZFXNI-XFFZJAGNSA-N 0 0 441.535 3.714 50 0 IHAARN CSc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1S(=O)(=O)c1ccccc1 ZINC000045986757 557016104 /nfs/dbraw/zinc/01/61/04/557016104.db2.gz QMQKQDRIJWIKLD-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1O ZINC000046017039 557020132 /nfs/dbraw/zinc/02/01/32/557020132.db2.gz LTEBIDDSVSSIER-MRXNPFEDSA-N 0 0 437.521 3.569 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2Br)cc1 ZINC000021089817 557021372 /nfs/dbraw/zinc/02/13/72/557021372.db2.gz NDRJFLKSLKJMGB-GOSISDBHSA-N 0 0 440.301 3.977 50 0 IHAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@@H]3CCCN(C(C)=O)C3)n2)cc1 ZINC000010744943 557023162 /nfs/dbraw/zinc/02/31/62/557023162.db2.gz FZHHNBWFCDULLB-RDTXWAMCSA-N 0 0 429.542 3.501 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000046027462 557023551 /nfs/dbraw/zinc/02/35/51/557023551.db2.gz ZXUMUCJDQNJSSP-QGZVFWFLSA-N 0 0 449.576 3.774 50 0 IHAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)OCCCn1c(=O)[nH]c2ccccc21 ZINC000010754785 557024331 /nfs/dbraw/zinc/02/43/31/557024331.db2.gz ALEAMHFPQPXSLF-UHFFFAOYSA-N 0 0 441.484 3.680 50 0 IHAARN COc1ccc(CN(C)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1OC ZINC000046032372 557024752 /nfs/dbraw/zinc/02/47/52/557024752.db2.gz VUJGSCMPKNTJCF-UHFFFAOYSA-N 0 0 428.558 3.848 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc2c(cc1Cl)OCCO2 ZINC000010765293 557025145 /nfs/dbraw/zinc/02/51/45/557025145.db2.gz ZJTJMICMORIDBV-UHFFFAOYSA-N 0 0 446.916 3.952 50 0 IHAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000023143255 557025195 /nfs/dbraw/zinc/02/51/95/557025195.db2.gz GDFAFDVUHZMCKY-UHFFFAOYSA-N 0 0 434.471 3.924 50 0 IHAARN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)Nc1ccc(Br)cc1 ZINC000032944714 557027044 /nfs/dbraw/zinc/02/70/44/557027044.db2.gz YTFMZDMQEWEUNR-UHFFFAOYSA-N 0 0 426.192 3.817 50 0 IHAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C)n2C)n1 ZINC000230103298 557028067 /nfs/dbraw/zinc/02/80/67/557028067.db2.gz SLIQZVPSYSDUQS-QGZVFWFLSA-N 0 0 444.626 3.973 50 0 IHAARN COc1cccc(OC)c1C(=O)[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1F ZINC000046057164 557028701 /nfs/dbraw/zinc/02/87/01/557028701.db2.gz XJGRENNWJHTCKW-ZDUSSCGKSA-N 0 0 427.407 3.785 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000023157715 557030434 /nfs/dbraw/zinc/03/04/34/557030434.db2.gz XRCBDDKQEOBNJL-INIZCTEOSA-N 0 0 434.949 3.823 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074595 557030585 /nfs/dbraw/zinc/03/05/85/557030585.db2.gz QDOVYGWRSQMESB-INIZCTEOSA-N 0 0 434.521 3.689 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074551 557030742 /nfs/dbraw/zinc/03/07/42/557030742.db2.gz SEOUKMXJDOVIAJ-HNNXBMFYSA-N 0 0 440.912 3.780 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000046074787 557030932 /nfs/dbraw/zinc/03/09/32/557030932.db2.gz DRWCHDUYFLWJAT-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000023157953 557030970 /nfs/dbraw/zinc/03/09/70/557030970.db2.gz LLIIRNMRYDHBER-PXAZEXFGSA-N 0 0 432.546 3.652 50 0 IHAARN CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000046086985 557036233 /nfs/dbraw/zinc/03/62/33/557036233.db2.gz HJWZSCNYPHREJH-UHFFFAOYSA-N 0 0 443.754 3.763 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000046124826 557037606 /nfs/dbraw/zinc/03/76/06/557037606.db2.gz JKLVUMGLNNDSCN-MRXNPFEDSA-N 0 0 442.566 3.667 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@H](c1ccncc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243772 557043758 /nfs/dbraw/zinc/04/37/58/557043758.db2.gz ZOHUEQDPFIEYMT-OAQYLSRUSA-N 0 0 439.479 3.671 50 0 IHAARN CCn1c2cc(NC(=O)C(C)(C)C)c(S(=O)(=O)C3CCCCC3)cc2n(CC)c1=O ZINC000046146318 557044598 /nfs/dbraw/zinc/04/45/98/557044598.db2.gz GUQGDLRAAKLQSS-UHFFFAOYSA-N 0 0 435.590 3.934 50 0 IHAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1Br ZINC000017287760 557045219 /nfs/dbraw/zinc/04/52/19/557045219.db2.gz DUABKQMTQGLRPE-HXUWFJFHSA-N 0 0 432.362 3.929 50 0 IHAARN Cc1nc2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)ccc2n1-c1ccccc1 ZINC000048249566 557048737 /nfs/dbraw/zinc/04/87/37/557048737.db2.gz TZMKETINOKOKBB-XMMPIXPASA-N 0 0 440.503 3.830 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 ZINC000022930674 557049685 /nfs/dbraw/zinc/04/96/85/557049685.db2.gz HODJKOCWVNLJJR-CVEARBPZSA-N 0 0 436.419 3.894 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000022930977 557050087 /nfs/dbraw/zinc/05/00/87/557050087.db2.gz LPBQTLDXHSDDSK-IBGZPJMESA-N 0 0 433.556 3.925 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022933266 557051255 /nfs/dbraw/zinc/05/12/55/557051255.db2.gz CIZHAACPPKNFMQ-SFHVURJKSA-N 0 0 436.581 3.964 50 0 IHAARN CCC[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 ZINC000022933832 557051599 /nfs/dbraw/zinc/05/15/99/557051599.db2.gz OQYWRRNZSVGEQP-CVDCTZTESA-N 0 0 427.564 3.998 50 0 IHAARN CCc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)cc1 ZINC000033273602 557051759 /nfs/dbraw/zinc/05/17/59/557051759.db2.gz FXNNJHCGHQSUFR-UHFFFAOYSA-N 0 0 432.524 3.850 50 0 IHAARN Cc1ccc([C@H]2[C@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C ZINC000048251010 557051817 /nfs/dbraw/zinc/05/18/17/557051817.db2.gz WDHUKSGVZAOITP-ZEQRLZLVSA-N 0 0 426.532 3.886 50 0 IHAARN CN(CCc1noc(-c2ccc(C(=O)NCc3ccccc3)cc2)n1)C(=O)c1ccccc1 ZINC000033273481 557051818 /nfs/dbraw/zinc/05/18/18/557051818.db2.gz VVWOBEWRPMHCFK-UHFFFAOYSA-N 0 0 440.503 3.981 50 0 IHAARN CCn1c2ccccc2n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c1=O ZINC000033272549 557052107 /nfs/dbraw/zinc/05/21/07/557052107.db2.gz OMVXPPUFYNYIEJ-UHFFFAOYSA-N 0 0 447.922 3.815 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000033272924 557052747 /nfs/dbraw/zinc/05/27/47/557052747.db2.gz GAPSYUHCFSMUCL-UHFFFAOYSA-N 0 0 442.541 3.805 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(OC)cc4)n3)CC2)cc1 ZINC000017307342 557053443 /nfs/dbraw/zinc/05/34/43/557053443.db2.gz RJFCTIQBTCIVKD-UHFFFAOYSA-N 0 0 447.539 3.898 50 0 IHAARN O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(Br)c1 ZINC000033275235 557053842 /nfs/dbraw/zinc/05/38/42/557053842.db2.gz ONDPEJVJIXYUSZ-UHFFFAOYSA-N 0 0 427.302 3.674 50 0 IHAARN O=C(c1cc(Br)ccc1Cl)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000048289884 557054758 /nfs/dbraw/zinc/05/47/58/557054758.db2.gz AGDQJXXGDMPYSA-UHFFFAOYSA-N 0 0 443.691 3.829 50 0 IHAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000048275712 557056031 /nfs/dbraw/zinc/05/60/31/557056031.db2.gz JJYYYINZHGSXIZ-UHFFFAOYSA-N 0 0 434.411 3.542 50 0 IHAARN CCOc1ccccc1NC(=O)C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C ZINC000017315940 557056651 /nfs/dbraw/zinc/05/66/51/557056651.db2.gz VLPPVOFLWASZOT-UHFFFAOYSA-N 0 0 427.501 3.954 50 0 IHAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000010880116 557057170 /nfs/dbraw/zinc/05/71/70/557057170.db2.gz WVRPMWIRYBJLFH-OAQYLSRUSA-N 0 0 435.549 3.708 50 0 IHAARN CC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000048285549 557057838 /nfs/dbraw/zinc/05/78/38/557057838.db2.gz HVRHNNIRGJCMQO-UHFFFAOYSA-N 0 0 434.562 3.719 50 0 IHAARN Cc1ncc(CN(C)C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 ZINC000048280247 557057901 /nfs/dbraw/zinc/05/79/01/557057901.db2.gz OFLLGGOEUUHCBA-UHFFFAOYSA-N 0 0 430.555 3.941 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)CN(Cc1ccccc1)CC2 ZINC000033277332 557059092 /nfs/dbraw/zinc/05/90/92/557059092.db2.gz ZQIHILCAPZZAFV-UHFFFAOYSA-N 0 0 430.552 3.872 50 0 IHAARN O=C1CCCN1c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000048304279 557059088 /nfs/dbraw/zinc/05/90/88/557059088.db2.gz MBIZEYHDPFWOPW-OAQYLSRUSA-N 0 0 447.988 3.582 50 0 IHAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000048310957 557060919 /nfs/dbraw/zinc/06/09/19/557060919.db2.gz BZVRZRJUKXMCSR-KRWDZBQOSA-N 0 0 434.540 3.640 50 0 IHAARN Cn1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(-c2cccnc2)n1 ZINC000048311063 557061000 /nfs/dbraw/zinc/06/10/00/557061000.db2.gz LINMHYVWBHHYFD-LJQANCHMSA-N 0 0 427.911 3.842 50 0 IHAARN O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21)Nc1ccccc1F ZINC000033284371 557063546 /nfs/dbraw/zinc/06/35/46/557063546.db2.gz LGVGAVVFBPHAQD-UHFFFAOYSA-N 0 0 439.447 3.991 50 0 IHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000048325062 557065921 /nfs/dbraw/zinc/06/59/21/557065921.db2.gz BJOWECKVWFENQK-QGZVFWFLSA-N 0 0 429.542 3.985 50 0 IHAARN COc1ccc([C@H](NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C(C)C)cc1 ZINC000048313013 557067369 /nfs/dbraw/zinc/06/73/69/557067369.db2.gz IQYKISCQHONAIG-JOCHJYFZSA-N 0 0 427.570 3.932 50 0 IHAARN COc1ccc([C@@H](NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C(C)C)cc1 ZINC000048313010 557067400 /nfs/dbraw/zinc/06/74/00/557067400.db2.gz IQYKISCQHONAIG-QFIPXVFZSA-N 0 0 427.570 3.932 50 0 IHAARN CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc(Cl)c3Cl)CCCC2)no1 ZINC000048313096 557067402 /nfs/dbraw/zinc/06/74/02/557067402.db2.gz PQTJRKMHEZGFNG-UHFFFAOYSA-N 0 0 447.388 3.966 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1F ZINC000048331593 557069436 /nfs/dbraw/zinc/06/94/36/557069436.db2.gz CFHKVFUOTRIXPO-UHFFFAOYSA-N 0 0 430.833 3.921 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000010884638 557069525 /nfs/dbraw/zinc/06/95/25/557069525.db2.gz GSOPUUJSQWZMJT-UHFFFAOYSA-N 0 0 435.509 3.585 50 0 IHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000023224684 557074817 /nfs/dbraw/zinc/07/48/17/557074817.db2.gz PREHQJYVZNQTCN-GJZGRUSLSA-N 0 0 432.542 3.648 50 0 IHAARN CCN(CCCNC(=O)C1CCN(c2nccc3c(C)nn(C)c32)CC1)c1ccccc1 ZINC000033299148 557075429 /nfs/dbraw/zinc/07/54/29/557075429.db2.gz YYRVQSLMIWHCEE-UHFFFAOYSA-N 0 0 434.588 3.526 50 0 IHAARN COCc1c2ccccc2oc1C(=O)OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000014705952 557077486 /nfs/dbraw/zinc/07/74/86/557077486.db2.gz OYUBGBOAKVWMBU-UHFFFAOYSA-N 0 0 433.464 3.580 50 0 IHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCc2ccccc2)cc1 ZINC000048991148 557080471 /nfs/dbraw/zinc/08/04/71/557080471.db2.gz QRYBSZWXDDNJQF-UHFFFAOYSA-N 0 0 430.551 3.902 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 ZINC000049002149 557080799 /nfs/dbraw/zinc/08/07/99/557080799.db2.gz OJPYETUWXCEGEY-UHFFFAOYSA-N 0 0 448.429 3.874 50 0 IHAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000033299254 557081871 /nfs/dbraw/zinc/08/18/71/557081871.db2.gz HFPRHQCVICXGKW-UHFFFAOYSA-N 0 0 446.428 3.938 50 0 IHAARN Cc1ccc(-n2nnnc2SCCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000011306919 557082174 /nfs/dbraw/zinc/08/21/74/557082174.db2.gz XINIKIRQQBEPJJ-UHFFFAOYSA-N 0 0 429.354 3.844 50 0 IHAARN CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 ZINC000023290702 557082406 /nfs/dbraw/zinc/08/24/06/557082406.db2.gz RTTYAGJXRBDKLW-ATIYNZHBSA-N 0 0 433.552 3.846 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)ccc3C)c2c1=O ZINC000048988063 557082877 /nfs/dbraw/zinc/08/28/77/557082877.db2.gz NQBMXMIUCGGFAP-UHFFFAOYSA-N 0 0 430.508 3.767 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(OC)c3)c2c1=O ZINC000048989115 557083461 /nfs/dbraw/zinc/08/34/61/557083461.db2.gz XJPGILIDULHMBY-UHFFFAOYSA-N 0 0 446.507 3.549 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 ZINC000023324894 557084123 /nfs/dbraw/zinc/08/41/23/557084123.db2.gz PXITULHHKOQPCB-UHFFFAOYSA-N 0 0 429.520 3.800 50 0 IHAARN CC[C@H](Nc1ncnc2sc(C(=O)NCCN3CCOCC3)c(C)c21)c1cccs1 ZINC000023337446 557084736 /nfs/dbraw/zinc/08/47/36/557084736.db2.gz PZHYFDCBNAOHSH-HNNXBMFYSA-N 0 0 445.614 3.686 50 0 IHAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756654 557084956 /nfs/dbraw/zinc/08/49/56/557084956.db2.gz QCFULWBMHFQTRJ-RDPSFJRHSA-N 0 0 438.524 3.819 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NCc2cc(C)ccc2C)c(=O)n3C(C)C)no1 ZINC000033306938 557085006 /nfs/dbraw/zinc/08/50/06/557085006.db2.gz OUKYBRKZBQLLJO-UHFFFAOYSA-N 0 0 433.512 3.676 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)NC2(c3nc(C4CCOCC4)no3)CCOCC2)ccc1Cl ZINC000585141644 557085010 /nfs/dbraw/zinc/08/50/10/557085010.db2.gz DZIZLOODKVJPDH-HNNXBMFYSA-N 0 0 449.935 3.515 50 0 IHAARN O=C(NCc1cccnc1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006506 557085131 /nfs/dbraw/zinc/08/51/31/557085131.db2.gz AGFKMUAUAIUFNB-UHFFFAOYSA-N 0 0 440.507 3.726 50 0 IHAARN O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000023353601 557086637 /nfs/dbraw/zinc/08/66/37/557086637.db2.gz BDUIHKHFCJCPIO-UHFFFAOYSA-N 0 0 441.417 3.546 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O ZINC000049009030 557086876 /nfs/dbraw/zinc/08/68/76/557086876.db2.gz NKDIXXAQLKULSR-UHFFFAOYSA-N 0 0 449.536 3.696 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000049009040 557086898 /nfs/dbraw/zinc/08/68/98/557086898.db2.gz DYJXEBFNXPGIHL-UHFFFAOYSA-N 0 0 447.520 3.500 50 0 IHAARN Cc1nc(CC(=O)N2CCC[C@@H]3CN(C(=O)CCCc4ccccc4)CC[C@@H]32)cs1 ZINC000023398180 557090554 /nfs/dbraw/zinc/09/05/54/557090554.db2.gz DVSSORCSPLMGMV-IRLDBZIGSA-N 0 0 425.598 3.856 50 0 IHAARN COc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2cccnc2)c1 ZINC000049003643 557091328 /nfs/dbraw/zinc/09/13/28/557091328.db2.gz GIVQUFBSJRGSCM-UHFFFAOYSA-N 0 0 433.899 3.964 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2ccncc2)c1 ZINC000049003528 557091404 /nfs/dbraw/zinc/09/14/04/557091404.db2.gz XCFJYPWFGFZMLI-UHFFFAOYSA-N 0 0 447.470 3.724 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(SC)cc3)c2-c2cccnc2)cc1 ZINC000049003702 557091777 /nfs/dbraw/zinc/09/17/77/557091777.db2.gz OHQUDTDJLUUWFG-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnc2sccn2c1=O ZINC000010908735 557093237 /nfs/dbraw/zinc/09/32/37/557093237.db2.gz NRKSQJCGBAATBW-UHFFFAOYSA-N 0 0 445.479 3.678 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023507726 557095186 /nfs/dbraw/zinc/09/51/86/557095186.db2.gz MTNYJTKRBNFABX-HNNXBMFYSA-N 0 0 440.512 3.594 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1cccc(Cl)c1 ZINC000049406224 557095272 /nfs/dbraw/zinc/09/52/72/557095272.db2.gz ACKIAYZUSZZVRK-UHFFFAOYSA-N 0 0 444.322 3.609 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccc(F)cc3)cn(C)c2c1=O ZINC000049401465 557097047 /nfs/dbraw/zinc/09/70/47/557097047.db2.gz CZOGLACDPXCZFR-KRWDZBQOSA-N 0 0 432.499 3.679 50 0 IHAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(Br)cc3F)ncn2)n1 ZINC000049404176 557099555 /nfs/dbraw/zinc/09/95/55/557099555.db2.gz VDRRXUKSKUUFIF-UHFFFAOYSA-N 0 0 436.310 3.912 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 ZINC000085420751 557101571 /nfs/dbraw/zinc/10/15/71/557101571.db2.gz GLRBRGKHYINNPQ-NSNOHRKYSA-N 0 0 443.613 3.578 50 0 IHAARN CCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1Oc1ccc(Cl)cc1Cl ZINC000085422513 557101579 /nfs/dbraw/zinc/10/15/79/557101579.db2.gz PXUPJUPRFDQMTK-UHFFFAOYSA-N 0 0 439.255 3.955 50 0 IHAARN COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(C(C)C)c4)c(=O)n3c(C)n2)cc1 ZINC000049407173 557102532 /nfs/dbraw/zinc/10/25/32/557102532.db2.gz PFROMBHYXACALX-UHFFFAOYSA-N 0 0 431.496 3.637 50 0 IHAARN COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000049408657 557103748 /nfs/dbraw/zinc/10/37/48/557103748.db2.gz VBKLUUZYSRKBKS-UHFFFAOYSA-N 0 0 440.500 3.889 50 0 IHAARN CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(c5ccc(C)cc5)CC4)n3)cc2)no1 ZINC000049408753 557103770 /nfs/dbraw/zinc/10/37/70/557103770.db2.gz BJQGJQASKAGRGC-UHFFFAOYSA-N 0 0 442.523 3.756 50 0 IHAARN CC(C)Sc1ccc(CC(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1 ZINC000585147149 557103912 /nfs/dbraw/zinc/10/39/12/557103912.db2.gz ODLKIUDOXHOEOE-MRXNPFEDSA-N 0 0 436.375 3.962 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)cc1 ZINC000033320949 557104850 /nfs/dbraw/zinc/10/48/50/557104850.db2.gz GQEABKVDORRPIT-UHFFFAOYSA-N 0 0 434.521 3.868 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 ZINC000049410331 557105530 /nfs/dbraw/zinc/10/55/30/557105530.db2.gz KWCZKVWARVOWAV-UHFFFAOYSA-N 0 0 443.236 3.530 50 0 IHAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccccc3C)ccc2n1C ZINC000033320993 557105763 /nfs/dbraw/zinc/10/57/63/557105763.db2.gz UMTTUDYTMFMDKS-UHFFFAOYSA-N 0 0 436.556 3.994 50 0 IHAARN CCc1ccccc1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O ZINC000049411512 557106635 /nfs/dbraw/zinc/10/66/35/557106635.db2.gz GBXOEUSFAYMEDZ-UHFFFAOYSA-N 0 0 440.500 3.522 50 0 IHAARN Cc1ccc(N2C(=O)N(CCOc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 ZINC000049420922 557107155 /nfs/dbraw/zinc/10/71/55/557107155.db2.gz FXISGEWYWFSYCV-UHFFFAOYSA-N 0 0 427.457 3.871 50 0 IHAARN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1OC ZINC000049547004 557112170 /nfs/dbraw/zinc/11/21/70/557112170.db2.gz DTNQXHIWTFGBTD-HNNXBMFYSA-N 0 0 444.484 3.812 50 0 IHAARN O=C(c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1)N1CCSCC1 ZINC000049548368 557112448 /nfs/dbraw/zinc/11/24/48/557112448.db2.gz ZSDKHCLUHGJCTR-UHFFFAOYSA-N 0 0 435.322 3.754 50 0 IHAARN COc1ccc(N2c3c(sc(=O)n3C)[C@H](c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000049550013 557112863 /nfs/dbraw/zinc/11/28/63/557112863.db2.gz SPZJKAOXVWITTD-KRWDZBQOSA-N 0 0 426.494 3.673 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)n1 ZINC000049549865 557112974 /nfs/dbraw/zinc/11/29/74/557112974.db2.gz WLXUEWHWLHXVFV-UHFFFAOYSA-N 0 0 439.472 3.617 50 0 IHAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1cncc(Br)c1 ZINC000049524328 557114418 /nfs/dbraw/zinc/11/44/18/557114418.db2.gz MUCFGKLCALFYEK-MRXNPFEDSA-N 0 0 430.302 3.874 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1 ZINC000017743336 557114430 /nfs/dbraw/zinc/11/44/30/557114430.db2.gz JUYCGKWFQDMOBL-UHFFFAOYSA-N 0 0 444.516 3.773 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000023777587 557115573 /nfs/dbraw/zinc/11/55/73/557115573.db2.gz MESIKEMYPMDWEF-WIYYLYMNSA-N 0 0 435.503 3.709 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000023779763 557115912 /nfs/dbraw/zinc/11/59/12/557115912.db2.gz NSLGVEFRTOYFNC-NRFANRHFSA-N 0 0 435.503 3.709 50 0 IHAARN Cc1ccc(F)cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023804957 557116783 /nfs/dbraw/zinc/11/67/83/557116783.db2.gz LOIUFRSUJKAHGE-UHFFFAOYSA-N 0 0 439.409 3.946 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1csc(-c2ccccc2Cl)n1 ZINC000023845409 557119946 /nfs/dbraw/zinc/11/99/46/557119946.db2.gz MEMRTVKHGAGDJN-UHFFFAOYSA-N 0 0 433.917 3.761 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1ccc(F)c(Cl)c1 ZINC000085823518 557120277 /nfs/dbraw/zinc/12/02/77/557120277.db2.gz IEEOFVKEIJOWLT-HSZRJFAPSA-N 0 0 443.950 3.707 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccccc1C(F)(F)F ZINC000000629021 557122276 /nfs/dbraw/zinc/12/22/76/557122276.db2.gz FWJPLOPVAVJJMB-AUUYWEPGSA-N 0 0 439.430 3.835 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1)c1cccs1 ZINC000023873447 557122257 /nfs/dbraw/zinc/12/22/57/557122257.db2.gz PBIZAWNTUCPGAH-UHFFFAOYSA-N 0 0 435.549 3.837 50 0 IHAARN COc1ccccc1OCC(=O)Nc1nnc(Cc2cccc(Br)c2)s1 ZINC000098086572 557123231 /nfs/dbraw/zinc/12/32/31/557123231.db2.gz NAZLEEBEQSSNHY-UHFFFAOYSA-N 0 0 434.315 3.918 50 0 IHAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023883282 557123443 /nfs/dbraw/zinc/12/34/43/557123443.db2.gz SDQZOGDAKRMFCN-UHFFFAOYSA-N 0 0 441.578 3.504 50 0 IHAARN CCN(Cc1nc(-c2cccc(Br)c2)no1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023882895 557123515 /nfs/dbraw/zinc/12/35/15/557123515.db2.gz UAKUPZYKRNMQCC-UHFFFAOYSA-N 0 0 440.301 3.758 50 0 IHAARN CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC000017810052 557123848 /nfs/dbraw/zinc/12/38/48/557123848.db2.gz UGJBTGYSTMNCHS-UHFFFAOYSA-N 0 0 445.498 3.540 50 0 IHAARN CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000023908520 557125254 /nfs/dbraw/zinc/12/52/54/557125254.db2.gz WPWTVIVORCSFFQ-DEOSSOPVSA-N 0 0 435.480 3.580 50 0 IHAARN CC(C)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cnn(C(C)C)c2n1 ZINC000023934866 557125962 /nfs/dbraw/zinc/12/59/62/557125962.db2.gz PQGNHQHZVGMPCA-UHFFFAOYSA-N 0 0 449.555 3.822 50 0 IHAARN COc1cc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)[nH]c(=O)c2cc1OC ZINC000023935567 557126289 /nfs/dbraw/zinc/12/62/89/557126289.db2.gz WCOYNFSPCXGCAD-CQSZACIVSA-N 0 0 436.537 3.930 50 0 IHAARN O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000206688258 557126698 /nfs/dbraw/zinc/12/66/98/557126698.db2.gz JZFWOECTEIHKPS-INIZCTEOSA-N 0 0 440.399 3.576 50 0 IHAARN Cc1ccc(-c2noc(CCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)n2)cc1 ZINC000023967673 557127948 /nfs/dbraw/zinc/12/79/48/557127948.db2.gz MUKSELLHPJXBSB-UHFFFAOYSA-N 0 0 447.564 3.932 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000017904702 557128364 /nfs/dbraw/zinc/12/83/64/557128364.db2.gz MXFRKCSJPRGGDA-MRXNPFEDSA-N 0 0 447.457 3.718 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000000652472 557129351 /nfs/dbraw/zinc/12/93/51/557129351.db2.gz RJKBXYKRYWUPGE-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN O=S(=O)(c1ccccc1)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000023983057 557129485 /nfs/dbraw/zinc/12/94/85/557129485.db2.gz SJAJCEIAVJSQEA-UHFFFAOYSA-N 0 0 438.578 3.569 50 0 IHAARN O=C(NCc1ccccc1CN1CCOCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000023983473 557129605 /nfs/dbraw/zinc/12/96/05/557129605.db2.gz HCNBZIFJWKJWPZ-UHFFFAOYSA-N 0 0 445.548 3.516 50 0 IHAARN O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000655326 557129655 /nfs/dbraw/zinc/12/96/55/557129655.db2.gz HXPMCEKDBBHOLH-HXUWFJFHSA-N 0 0 426.366 3.768 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000000671996 557133152 /nfs/dbraw/zinc/13/31/52/557133152.db2.gz GBPSNGYZLNXBNX-UHFFFAOYSA-N 0 0 432.432 3.734 50 0 IHAARN C[C@H](NC(=O)CC1N=NC(=S)N1Cc1ccccc1)c1ccccc1Br ZINC000017965010 557134110 /nfs/dbraw/zinc/13/41/10/557134110.db2.gz ACALPQSUXWMQGM-ZDUSSCGKSA-N 0 0 431.359 3.798 50 0 IHAARN O=S(=O)(CCSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1 ZINC000011385323 557137301 /nfs/dbraw/zinc/13/73/01/557137301.db2.gz DPTKUAUQHNLMPR-UHFFFAOYSA-N 0 0 426.523 3.547 50 0 IHAARN C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000024103936 557137509 /nfs/dbraw/zinc/13/75/09/557137509.db2.gz LYYPSUDUKXAVJW-HXUWFJFHSA-N 0 0 445.519 3.764 50 0 IHAARN Cc1nc(NC(=O)c2ccc(Br)cc2F)sc1C1N=NC(=S)N1C ZINC000024778110 557137943 /nfs/dbraw/zinc/13/79/43/557137943.db2.gz DQDXQUBSVSGZSK-UHFFFAOYSA-N 0 0 428.312 3.690 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)OCc1cc2c(cc1Br)OCCO2 ZINC000024164471 557139071 /nfs/dbraw/zinc/13/90/71/557139071.db2.gz KWCOUBDQMGOFJY-UHFFFAOYSA-N 0 0 448.269 3.652 50 0 IHAARN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000024193006 557140519 /nfs/dbraw/zinc/14/05/19/557140519.db2.gz KOYSGYVSBDTDKX-LJQANCHMSA-N 0 0 448.972 3.727 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011416854 557143165 /nfs/dbraw/zinc/14/31/65/557143165.db2.gz BCCUQMDYQVIFBL-FQEVSTJZSA-N 0 0 431.895 3.999 50 0 IHAARN CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000023267795 557144360 /nfs/dbraw/zinc/14/43/60/557144360.db2.gz WBCFRIPNOUCMKU-ZDUSSCGKSA-N 0 0 447.538 3.870 50 0 IHAARN CC(C)[C@@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000024354370 557144933 /nfs/dbraw/zinc/14/49/33/557144933.db2.gz BFAZBSFGPMYEGL-HSZRJFAPSA-N 0 0 444.553 3.502 50 0 IHAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000024369181 557145630 /nfs/dbraw/zinc/14/56/30/557145630.db2.gz NMSGZCBJBORWQV-UHFFFAOYSA-N 0 0 431.539 3.759 50 0 IHAARN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000024376009 557145671 /nfs/dbraw/zinc/14/56/71/557145671.db2.gz MUKLVMQYUWKVCI-OAHLLOKOSA-N 0 0 447.782 3.692 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)c1 ZINC000024386466 557145919 /nfs/dbraw/zinc/14/59/19/557145919.db2.gz XDCXRAOZKUWVLT-UHFFFAOYSA-N 0 0 437.309 3.563 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 ZINC000011427120 557146727 /nfs/dbraw/zinc/14/67/27/557146727.db2.gz ZHJYMKWQVDQBHK-HUUCEWRRSA-N 0 0 442.541 3.788 50 0 IHAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000024425461 557146792 /nfs/dbraw/zinc/14/67/92/557146792.db2.gz GQFLQVTZGPSDGL-HXUWFJFHSA-N 0 0 427.520 3.610 50 0 IHAARN CCOC(=O)c1ccc(COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000016247756 557147998 /nfs/dbraw/zinc/14/79/98/557147998.db2.gz ZFDITCICVGFDRN-NHCUHLMSSA-N 0 0 433.460 3.676 50 0 IHAARN COc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000011447278 557149140 /nfs/dbraw/zinc/14/91/40/557149140.db2.gz LNVZOEMPYNHIGF-DEOSSOPVSA-N 0 0 443.503 3.932 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000024538313 557150759 /nfs/dbraw/zinc/15/07/59/557150759.db2.gz ZOHJVYSTQXWYRC-WMZOPIPTSA-N 0 0 432.952 3.926 50 0 IHAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000585148196 557151155 /nfs/dbraw/zinc/15/11/55/557151155.db2.gz YRPYXFMNFKSMHG-QGZVFWFLSA-N 0 0 434.370 3.634 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000011484313 557152827 /nfs/dbraw/zinc/15/28/27/557152827.db2.gz MGRCPPQEDJHOLA-QGZVFWFLSA-N 0 0 437.569 3.980 50 0 IHAARN COCCn1c2ccccc2nc1SCC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000011490119 557152840 /nfs/dbraw/zinc/15/28/40/557152840.db2.gz FYDTUFZMVIYCOO-UHFFFAOYSA-N 0 0 433.961 3.966 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000024607217 557153334 /nfs/dbraw/zinc/15/33/34/557153334.db2.gz BBQBZPNVQXYSAL-UHFFFAOYSA-N 0 0 436.961 3.919 50 0 IHAARN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612727 557155470 /nfs/dbraw/zinc/15/54/70/557155470.db2.gz OZTVPIWEDHUOKI-UHFFFAOYSA-N 0 0 442.622 3.550 50 0 IHAARN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613543 557156020 /nfs/dbraw/zinc/15/60/20/557156020.db2.gz PZLDJZAQBIFAMU-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN CN(c1ccc(OC(=O)C2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000024649104 557157346 /nfs/dbraw/zinc/15/73/46/557157346.db2.gz GFCIKIWHNJTQRI-UHFFFAOYSA-N 0 0 425.506 3.997 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 ZINC000011539579 557160613 /nfs/dbraw/zinc/16/06/13/557160613.db2.gz ZFXRDRXZXJMNGG-INIZCTEOSA-N 0 0 434.587 3.880 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(NC(=O)c3ccco3)cc1)CC2 ZINC000011550301 557162419 /nfs/dbraw/zinc/16/24/19/557162419.db2.gz IOLUUHAOPYXKJP-UHFFFAOYSA-N 0 0 435.480 3.817 50 0 IHAARN CN(C1CCCCCC1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000024755098 557162912 /nfs/dbraw/zinc/16/29/12/557162912.db2.gz VHHAESCZJQDPKD-UHFFFAOYSA-N 0 0 430.357 3.883 50 0 IHAARN O=C(NCCc1nnc2ccccn21)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011545997 557162990 /nfs/dbraw/zinc/16/29/90/557162990.db2.gz DSABHSJEQNGURI-UHFFFAOYSA-N 0 0 428.521 3.675 50 0 IHAARN COCCCn1c(=O)[nH]nc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000024763178 557164600 /nfs/dbraw/zinc/16/46/00/557164600.db2.gz MFMCWWOEDDEKMA-UHFFFAOYSA-N 0 0 428.539 3.530 50 0 IHAARN CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000024776328 557167065 /nfs/dbraw/zinc/16/70/65/557167065.db2.gz ZWEZVRSNPXEMSH-UHFFFAOYSA-N 0 0 444.528 3.967 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000024791708 557168021 /nfs/dbraw/zinc/16/80/21/557168021.db2.gz MQJKVICBYQTVQB-HOTGVXAUSA-N 0 0 430.526 3.634 50 0 IHAARN CCOc1ccc(OC[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000024843860 557168261 /nfs/dbraw/zinc/16/82/61/557168261.db2.gz WQLTXUZLQKZUKE-NRFANRHFSA-N 0 0 441.549 3.716 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000024829052 557169817 /nfs/dbraw/zinc/16/98/17/557169817.db2.gz CXYDXTUSGGMLIB-UHFFFAOYSA-N 0 0 433.464 3.769 50 0 IHAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000755258 557169990 /nfs/dbraw/zinc/16/99/90/557169990.db2.gz OIJIMRPZEPUKIF-UHFFFAOYSA-N 0 0 428.539 3.632 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000010964789 557175592 /nfs/dbraw/zinc/17/55/92/557175592.db2.gz BTYXPXKNKYRBIU-INIZCTEOSA-N 0 0 440.587 3.641 50 0 IHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010964636 557175602 /nfs/dbraw/zinc/17/56/02/557175602.db2.gz DUCBRYVTBBGDST-IBGZPJMESA-N 0 0 434.558 3.967 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000024876402 557176239 /nfs/dbraw/zinc/17/62/39/557176239.db2.gz SRYASZAAVLXBBT-UHFFFAOYSA-N 0 0 433.434 3.681 50 0 IHAARN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc(Cl)cc1 ZINC000024923973 557179343 /nfs/dbraw/zinc/17/93/43/557179343.db2.gz RVBHISKTBXULGY-LBPRGKRZSA-N 0 0 448.397 3.832 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000010971032 557182505 /nfs/dbraw/zinc/18/25/05/557182505.db2.gz WPQLLDIEJAHDEL-HNNXBMFYSA-N 0 0 443.931 3.720 50 0 IHAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c(C)c1 ZINC000024978213 557184939 /nfs/dbraw/zinc/18/49/39/557184939.db2.gz PAUGQQWAQPMXFT-ZDUSSCGKSA-N 0 0 430.921 3.761 50 0 IHAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccs2)no1 ZINC000024981711 557185451 /nfs/dbraw/zinc/18/54/51/557185451.db2.gz STHPAUHQDWPKHB-HSZRJFAPSA-N 0 0 430.489 3.988 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000024984778 557186134 /nfs/dbraw/zinc/18/61/34/557186134.db2.gz YMANWECCLDAVBN-GOSISDBHSA-N 0 0 448.592 3.528 50 0 IHAARN CCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100821230 557187637 /nfs/dbraw/zinc/18/76/37/557187637.db2.gz LFVZDSJRTURBBC-FCQUAONHSA-N 0 0 443.594 3.884 50 0 IHAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nnnn1C1CCCC1 ZINC000024992147 557188053 /nfs/dbraw/zinc/18/80/53/557188053.db2.gz IUYZQHQZNAGZMT-UHFFFAOYSA-N 0 0 430.317 3.612 50 0 IHAARN Cc1cc(CN2CCN([C@H](C)c3nc(=O)c4c(-c5cccs5)csc4[nH]3)CC2)no1 ZINC000024993181 557188367 /nfs/dbraw/zinc/18/83/67/557188367.db2.gz VBVOPJIGINRAMK-CQSZACIVSA-N 0 0 441.582 3.888 50 0 IHAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000009583023 557190654 /nfs/dbraw/zinc/19/06/54/557190654.db2.gz UUSQWJAWAYOLDN-UHFFFAOYSA-N 0 0 447.520 3.795 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100840677 557191064 /nfs/dbraw/zinc/19/10/64/557191064.db2.gz YXULWJUBTNSZEX-ZLNRFVROSA-N 0 0 430.460 3.755 50 0 IHAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000790164 557193881 /nfs/dbraw/zinc/19/38/81/557193881.db2.gz BDTUMQAAEQYFAU-UHFFFAOYSA-N 0 0 433.493 3.626 50 0 IHAARN CCOCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100873562 557196435 /nfs/dbraw/zinc/19/64/35/557196435.db2.gz UVGPRFUYQMFRGL-VZCXRCSSSA-N 0 0 438.958 3.537 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025153340 557197325 /nfs/dbraw/zinc/19/73/25/557197325.db2.gz BDHGIYHIDUHEPW-MRXNPFEDSA-N 0 0 426.488 3.827 50 0 IHAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000025159055 557197704 /nfs/dbraw/zinc/19/77/04/557197704.db2.gz FESCGFDALDTLLC-FQEVSTJZSA-N 0 0 429.879 3.633 50 0 IHAARN CCOC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000100877728 557197978 /nfs/dbraw/zinc/19/79/78/557197978.db2.gz CVRLOZYDKVERPA-ATJXCDBQSA-N 0 0 431.901 3.619 50 0 IHAARN COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000100886997 557198281 /nfs/dbraw/zinc/19/82/81/557198281.db2.gz FHYAABJNXLNRNY-VWNXMTODSA-N 0 0 439.471 3.680 50 0 IHAARN COc1ccccc1NC(=O)c1sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c2c1C ZINC000000791236 557198904 /nfs/dbraw/zinc/19/89/04/557198904.db2.gz XTAJMAZGUAYSHC-ZDUSSCGKSA-N 0 0 429.498 3.540 50 0 IHAARN CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791242 557198985 /nfs/dbraw/zinc/19/89/85/557198985.db2.gz SEMDPWIKESWLTE-TZMCWYRMSA-N 0 0 443.525 3.930 50 0 IHAARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000100910541 557200037 /nfs/dbraw/zinc/20/00/37/557200037.db2.gz OAIFTDXIXFNEBI-FCQUAONHSA-N 0 0 428.510 3.641 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025291388 557203203 /nfs/dbraw/zinc/20/32/03/557203203.db2.gz KQHGFZLEBZQDLV-UHFFFAOYSA-N 0 0 430.867 3.604 50 0 IHAARN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O ZINC000011583973 557204651 /nfs/dbraw/zinc/20/46/51/557204651.db2.gz VSZQVSZAVRQLRR-RUZDIDTESA-N 0 0 447.441 3.618 50 0 IHAARN CCCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC ZINC000025342569 557205265 /nfs/dbraw/zinc/20/52/65/557205265.db2.gz KIZDZJAOWHQKSD-UHFFFAOYSA-N 0 0 436.622 3.716 50 0 IHAARN COc1cc(-c2nnc(CSc3n[nH]c(Cc4cccs4)n3)o2)cc(OC)c1OC ZINC000011601050 557207141 /nfs/dbraw/zinc/20/71/41/557207141.db2.gz NBLPSDMQUZLUDO-UHFFFAOYSA-N 0 0 445.526 3.825 50 0 IHAARN Cc1ccc2c(Cl)cc(Cl)c(OCCOc3ccc(S(N)(=O)=O)cc3)c2n1 ZINC000025398732 557208038 /nfs/dbraw/zinc/20/80/38/557208038.db2.gz QVBHGDQWGFACKD-UHFFFAOYSA-N 0 0 427.309 3.955 50 0 IHAARN CCCCN1C(=O)C[C@H](C(=O)NCCCn2cnc3ccccc32)[C@@H]1c1ccc(OC)cc1 ZINC000025400307 557208309 /nfs/dbraw/zinc/20/83/09/557208309.db2.gz JAAXHYGPVIVLLD-OFVILXPXSA-N 0 0 448.567 3.941 50 0 IHAARN COc1ccc(C)cc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621128 557208519 /nfs/dbraw/zinc/20/85/19/557208519.db2.gz PLZGJEYLBSWNFU-QHCPKHFHSA-N 0 0 428.492 3.965 50 0 IHAARN COCCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677537 557209596 /nfs/dbraw/zinc/20/95/96/557209596.db2.gz YOCZRGBAHFXTJW-IRLDBZIGSA-N 0 0 447.501 3.726 50 0 IHAARN CN1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)[C@@H](c2ccccc2)C1 ZINC000025541101 557213772 /nfs/dbraw/zinc/21/37/72/557213772.db2.gz WMJRIGOSWBLEAV-HSZRJFAPSA-N 0 0 441.531 3.731 50 0 IHAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000025560786 557214644 /nfs/dbraw/zinc/21/46/44/557214644.db2.gz KDSZSNNGAOOPDJ-CQSZACIVSA-N 0 0 440.780 3.762 50 0 IHAARN COc1ccc(C2=NN[C@@H](c3ccc4c(c3)OCCCO4)[C@@H]2O)c(OCc2ccccc2)c1 ZINC000025575560 557215665 /nfs/dbraw/zinc/21/56/65/557215665.db2.gz NSCYFZBTMVNIKH-AHWVRZQESA-N 0 0 446.503 3.845 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000025612367 557219441 /nfs/dbraw/zinc/21/94/41/557219441.db2.gz SLBCGRVGLXZRNB-YZOPDKEQSA-N 0 0 426.557 3.700 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025638942 557220241 /nfs/dbraw/zinc/22/02/41/557220241.db2.gz HFBOWLDESAJCEL-GOSISDBHSA-N 0 0 447.576 3.984 50 0 IHAARN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025641817 557220346 /nfs/dbraw/zinc/22/03/46/557220346.db2.gz SFAWFRQNEVCEJF-LJQANCHMSA-N 0 0 429.517 3.583 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)c(OC)c1 ZINC000025726709 557223589 /nfs/dbraw/zinc/22/35/89/557223589.db2.gz AMKNEXPVILNLDH-UHFFFAOYSA-N 0 0 425.466 3.764 50 0 IHAARN COc1cc(C(=O)Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OC ZINC000000804306 557223693 /nfs/dbraw/zinc/22/36/93/557223693.db2.gz NLHIGMNIJVHNJE-UHFFFAOYSA-N 0 0 437.496 3.854 50 0 IHAARN CN(C)C(=O)[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000025746913 557224241 /nfs/dbraw/zinc/22/42/41/557224241.db2.gz MVEIMRRAHKPKLO-QFIPXVFZSA-N 0 0 435.597 3.844 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000010928742 557226191 /nfs/dbraw/zinc/22/61/91/557226191.db2.gz QHDYZQGMRCNQPM-INIZCTEOSA-N 0 0 442.537 3.935 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)[C@H]1CCCO1 ZINC000025807192 557227155 /nfs/dbraw/zinc/22/71/55/557227155.db2.gz MKPQUVSMFCBCGO-RBBKRZOGSA-N 0 0 436.508 3.943 50 0 IHAARN O=C(NCc1ccccc1)NC1(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCC1 ZINC000025814111 557227473 /nfs/dbraw/zinc/22/74/73/557227473.db2.gz IBWNVIIIKFWFRR-UHFFFAOYSA-N 0 0 448.567 3.676 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000011363733 557228414 /nfs/dbraw/zinc/22/84/14/557228414.db2.gz PVQLNCVOJKJJPT-CABCVRRESA-N 0 0 427.501 3.834 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000025899125 557229405 /nfs/dbraw/zinc/22/94/05/557229405.db2.gz OSQZDQYRBVDBLW-AWEZNQCLSA-N 0 0 425.441 3.785 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 ZINC000011484860 557229378 /nfs/dbraw/zinc/22/93/78/557229378.db2.gz XUZDDFLMMABOHC-UHFFFAOYSA-N 0 0 437.569 3.587 50 0 IHAARN Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cn1 ZINC000011480889 557229491 /nfs/dbraw/zinc/22/94/91/557229491.db2.gz ZITDSEHUWBVFFG-UHFFFAOYSA-N 0 0 435.505 3.752 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000097922830 557229638 /nfs/dbraw/zinc/22/96/38/557229638.db2.gz RUFNCZCAAAWVEP-QGZVFWFLSA-N 0 0 436.892 3.882 50 0 IHAARN Cn1ncc2c1ncnc2SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000011679686 557231859 /nfs/dbraw/zinc/23/18/59/557231859.db2.gz AUNGIVHSLPVFNP-UHFFFAOYSA-N 0 0 441.520 3.947 50 0 IHAARN C[C@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccccc2)o1 ZINC000026054830 557232850 /nfs/dbraw/zinc/23/28/50/557232850.db2.gz WPKMTYHQQFTNOD-KSKOPSKJSA-N 0 0 438.528 3.999 50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(OC)c1 ZINC000018079175 557235372 /nfs/dbraw/zinc/23/53/72/557235372.db2.gz JBUDUJBOVBQBCK-UHFFFAOYSA-N 0 0 443.853 3.662 50 0 IHAARN CCn1c(=O)c2sccc2nc1SC[C@@H]1CSc2nnc(-c3ccncc3)n21 ZINC000026128998 557235679 /nfs/dbraw/zinc/23/56/79/557235679.db2.gz LQLFCNNJAJQJNW-GFCCVEGCSA-N 0 0 428.568 3.571 50 0 IHAARN COC(=O)C(=CNc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000100025799 557237637 /nfs/dbraw/zinc/23/76/37/557237637.db2.gz REIGNGZUWDVQJS-ZHZULCJRSA-N 0 0 431.510 3.656 50 0 IHAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)no1 ZINC000026394798 557240378 /nfs/dbraw/zinc/24/03/78/557240378.db2.gz QANGBGPINFJGMJ-UHFFFAOYSA-N 0 0 433.493 3.887 50 0 IHAARN O=C(NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)Nc1cccc(Cl)c1 ZINC000583649510 557240414 /nfs/dbraw/zinc/24/04/14/557240414.db2.gz PRMMEHVRQVBWSA-CQSZACIVSA-N 0 0 443.866 3.700 50 0 IHAARN CCN1c2cc(C(=O)NCc3cc(OC)ccc3OC)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000583649033 557241817 /nfs/dbraw/zinc/24/18/17/557241817.db2.gz NPELYIDPYXWDOT-QHCPKHFHSA-N 0 0 437.540 3.816 50 0 IHAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(N2CCc3ccccc3C2)C1 ZINC000390828170 557243949 /nfs/dbraw/zinc/24/39/49/557243949.db2.gz PGWFMLLAMJZQIA-UHFFFAOYSA-N 0 0 430.879 3.790 50 0 IHAARN CS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000018157366 557244498 /nfs/dbraw/zinc/24/44/98/557244498.db2.gz OEEDEHCQRYHBMH-UHFFFAOYSA-N 0 0 431.517 3.873 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)s1 ZINC000026569933 557245178 /nfs/dbraw/zinc/24/51/78/557245178.db2.gz HOCMJGUOACBKKV-HNNXBMFYSA-N 0 0 432.489 3.545 50 0 IHAARN Cn1c(C2CC2)nn(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1=S ZINC000026687819 557246763 /nfs/dbraw/zinc/24/67/63/557246763.db2.gz AYMXFDOZBRWILC-UHFFFAOYSA-N 0 0 427.496 3.502 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000026775402 557248120 /nfs/dbraw/zinc/24/81/20/557248120.db2.gz ZDKQRISAZZEWTO-UHFFFAOYSA-N 0 0 428.916 3.595 50 0 IHAARN O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCCCc1ccccc1 ZINC000026779484 557248415 /nfs/dbraw/zinc/24/84/15/557248415.db2.gz ZICYDSWLCWEKLL-UHFFFAOYSA-N 0 0 433.552 3.774 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c2cccs2)cc1 ZINC000026911960 557250866 /nfs/dbraw/zinc/25/08/66/557250866.db2.gz PZUXVEHHOSQFPI-OAQYLSRUSA-N 0 0 429.586 3.815 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2cccs2)cc1 ZINC000026963199 557252406 /nfs/dbraw/zinc/25/24/06/557252406.db2.gz XHNFPZVCDSPOCG-UHFFFAOYSA-N 0 0 427.478 3.548 50 0 IHAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000026986384 557253144 /nfs/dbraw/zinc/25/31/44/557253144.db2.gz PXXSVNHQDICNAF-UHFFFAOYSA-N 0 0 435.505 3.632 50 0 IHAARN CCNC(=O)c1c(N[C@H](NC(=O)OCC)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000027017126 557253995 /nfs/dbraw/zinc/25/39/95/557253995.db2.gz AXMNZUNSBZUWMT-LJQANCHMSA-N 0 0 429.542 3.744 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000101096821 557253917 /nfs/dbraw/zinc/25/39/17/557253917.db2.gz FEOUEXFRUUPYKT-KDURUIRLSA-N 0 0 445.544 3.823 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 ZINC000101098677 557255174 /nfs/dbraw/zinc/25/51/74/557255174.db2.gz NSYYOCZKQDTUGG-IKVWTGGYSA-N 0 0 431.536 3.834 50 0 IHAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000027126138 557257531 /nfs/dbraw/zinc/25/75/31/557257531.db2.gz RSCABBAZJHGGHF-MRXNPFEDSA-N 0 0 444.944 3.780 50 0 IHAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000027143933 557257897 /nfs/dbraw/zinc/25/78/97/557257897.db2.gz FUGMFJXVGWTVPZ-KRWDZBQOSA-N 0 0 443.853 3.609 50 0 IHAARN CCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000817128 557258240 /nfs/dbraw/zinc/25/82/40/557258240.db2.gz GLXSXTQPBUHCMG-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027242361 557259158 /nfs/dbraw/zinc/25/91/58/557259158.db2.gz AADRAPCDFBEHLE-KKSFZXQISA-N 0 0 443.494 3.597 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000027254469 557259459 /nfs/dbraw/zinc/25/94/59/557259459.db2.gz SVZIWBNIDYCWSP-ZEQRLZLVSA-N 0 0 442.563 3.943 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000100398635 557259949 /nfs/dbraw/zinc/25/99/49/557259949.db2.gz RYAFGJQWHNFHMC-BULFRSBZSA-N 0 0 446.503 3.633 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101142236 557261996 /nfs/dbraw/zinc/26/19/96/557261996.db2.gz BOJUQTZEHLILDF-WMZOPIPTSA-N 0 0 446.290 3.599 50 0 IHAARN Cc1sc2nc(CSCC(=O)NCCc3c[nH]c4ccccc34)[nH]c(=O)c2c1C ZINC000027489511 557262875 /nfs/dbraw/zinc/26/28/75/557262875.db2.gz AXOIDBASNSTEER-UHFFFAOYSA-N 0 0 426.567 3.675 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Br)cc1)S2 ZINC000027525598 557263387 /nfs/dbraw/zinc/26/33/87/557263387.db2.gz YAMKBEUGBMGSFH-RDJZCZTQSA-N 0 0 431.315 3.697 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012996610 557263667 /nfs/dbraw/zinc/26/36/67/557263667.db2.gz GIOLMHAUFGGCBI-LLVKDONJSA-N 0 0 430.320 3.514 50 0 IHAARN O=C(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)NC(=O)Nc1ccccc1 ZINC000027576247 557266211 /nfs/dbraw/zinc/26/62/11/557266211.db2.gz ICTQPTKVAUNXTR-UHFFFAOYSA-N 0 0 446.507 3.522 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027782467 557273842 /nfs/dbraw/zinc/27/38/42/557273842.db2.gz GRXKGROPCDXUGX-UHFFFAOYSA-N 0 0 437.462 3.610 50 0 IHAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000100818607 557276702 /nfs/dbraw/zinc/27/67/02/557276702.db2.gz OHNHTPFJJGKPLR-BQFCYCMXSA-N 0 0 438.530 3.549 50 0 IHAARN O=C(CCS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000101160288 557283841 /nfs/dbraw/zinc/28/38/41/557283841.db2.gz FSFSHPBONCXJNS-INIZCTEOSA-N 0 0 433.327 3.843 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1 ZINC000011665573 557285784 /nfs/dbraw/zinc/28/57/84/557285784.db2.gz IAFRHTZZEUQKDI-UHFFFAOYSA-N 0 0 442.504 3.963 50 0 IHAARN O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000101294040 557285817 /nfs/dbraw/zinc/28/58/17/557285817.db2.gz YSSHHCWKAKAHJL-DLBZAZTESA-N 0 0 436.413 3.699 50 0 IHAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@H](c3ccco3)N(C)C)C2=O)c1 ZINC000101503271 557290232 /nfs/dbraw/zinc/29/02/32/557290232.db2.gz JPSXHFNNMMHHKZ-ONQWYEKWSA-N 0 0 431.492 3.709 50 0 IHAARN CCN1c2ccc(Br)cc2[C@H](Cc2nc3ccccc3c(=O)n2CC)C1=O ZINC000101471542 557290455 /nfs/dbraw/zinc/29/04/55/557290455.db2.gz YXWIKWOMICUERL-INIZCTEOSA-N 0 0 426.314 3.872 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1F ZINC000101628045 557293037 /nfs/dbraw/zinc/29/30/37/557293037.db2.gz YZKLHHYFAPKJPA-KDURUIRLSA-N 0 0 444.528 3.919 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000101628496 557293321 /nfs/dbraw/zinc/29/33/21/557293321.db2.gz CVBXQQOMGSSPCH-CALCHBBNSA-N 0 0 448.491 3.749 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(OCc3ccccc3)cc2)cc1 ZINC000014074826 557296995 /nfs/dbraw/zinc/29/69/95/557296995.db2.gz SOCJYDMLCOMZBH-UHFFFAOYSA-N 0 0 427.522 3.974 50 0 IHAARN Cc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccccc4)nn3c2=O)c(C)c1 ZINC000101834524 557301449 /nfs/dbraw/zinc/30/14/49/557301449.db2.gz LAGHVBGDIYACDL-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4ccc(C)cc4)c3=O)[nH]2)cc1 ZINC000101834964 557301648 /nfs/dbraw/zinc/30/16/48/557301648.db2.gz UFIFRDQFLVQPTB-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)CSC3)c1 ZINC000011667100 557303550 /nfs/dbraw/zinc/30/35/50/557303550.db2.gz ARSAXWMCGLMTHB-UHFFFAOYSA-N 0 0 432.505 3.833 50 0 IHAARN C[C@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000014112734 557305219 /nfs/dbraw/zinc/30/52/19/557305219.db2.gz ORVOVTKMDFDFNB-MBSDFSHPSA-N 0 0 432.630 3.564 50 0 IHAARN COc1cccc(CNC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c1OC ZINC000101948294 557308873 /nfs/dbraw/zinc/30/88/73/557308873.db2.gz RUHJLLJNEHHKDC-UHFFFAOYSA-N 0 0 449.532 3.939 50 0 IHAARN COCCOCC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1C ZINC000032915955 557318109 /nfs/dbraw/zinc/31/81/09/557318109.db2.gz SCVJQYYMZXSQTN-ZHACJKMWSA-N 0 0 434.439 3.850 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3nnc(CC(C)C)s3)o2)cc1OC ZINC000033004637 557322233 /nfs/dbraw/zinc/32/22/33/557322233.db2.gz VVKOJXFAWYERJH-UHFFFAOYSA-N 0 0 435.531 3.535 50 0 IHAARN Cc1cccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1C ZINC000033129822 557324917 /nfs/dbraw/zinc/32/49/17/557324917.db2.gz ACZZEZIYFIHRBX-UHFFFAOYSA-N 0 0 441.597 3.824 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000014233764 557327150 /nfs/dbraw/zinc/32/71/50/557327150.db2.gz RLBLPXFOERWHGV-JOCHJYFZSA-N 0 0 442.947 3.824 50 0 IHAARN O=C(Nc1ccccc1Br)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000033251821 557327374 /nfs/dbraw/zinc/32/73/74/557327374.db2.gz ZIWJYVRQYLRYII-QGZVFWFLSA-N 0 0 441.322 3.770 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251911 557327687 /nfs/dbraw/zinc/32/76/87/557327687.db2.gz XQDWGUNHWDRYQQ-GOSISDBHSA-N 0 0 427.353 3.853 50 0 IHAARN Cc1cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4Cl)n3)no2)no1 ZINC000033270904 557328619 /nfs/dbraw/zinc/32/86/19/557328619.db2.gz RNBWBESTVQESBW-UHFFFAOYSA-N 0 0 445.892 3.668 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000014240762 557328843 /nfs/dbraw/zinc/32/88/43/557328843.db2.gz JADQNMIXZLUPPZ-INIZCTEOSA-N 0 0 426.494 3.793 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)CC1 ZINC000033258657 557329448 /nfs/dbraw/zinc/32/94/48/557329448.db2.gz SSPWHBURAPDJIM-UHFFFAOYSA-N 0 0 449.511 3.523 50 0 IHAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)N[C@@H](C)CCc2ccccc2)c3=O)c1 ZINC000033300174 557331092 /nfs/dbraw/zinc/33/10/92/557331092.db2.gz SFQXSERKMYMIEK-KRWDZBQOSA-N 0 0 432.549 3.966 50 0 IHAARN Cc1cccc(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c1C ZINC000033281929 557331758 /nfs/dbraw/zinc/33/17/58/557331758.db2.gz GZBAQPUQNQZBAK-UHFFFAOYSA-N 0 0 446.477 3.917 50 0 IHAARN CCc1ccccc1NC(=O)N1CCN(CCn2c3ncccc3nc2C(F)(F)F)CC1 ZINC000033281959 557331824 /nfs/dbraw/zinc/33/18/24/557331824.db2.gz YRRXGBJTPSMKJV-UHFFFAOYSA-N 0 0 446.477 3.862 50 0 IHAARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccc(OC)c(OC)c1 ZINC000014610909 557345354 /nfs/dbraw/zinc/34/53/54/557345354.db2.gz YHNWUGBIQDGQPE-UHFFFAOYSA-N 0 0 434.452 3.865 50 0 IHAARN O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1S2 ZINC000085396582 557345981 /nfs/dbraw/zinc/34/59/81/557345981.db2.gz WJWCKMBMZIMZKF-SQWLQELKSA-N 0 0 428.922 3.886 50 0 IHAARN O=c1c2ccccc2nc(CN2CCN(c3ccccc3F)CC2)n1-c1ccc(F)cc1 ZINC000085423603 557346754 /nfs/dbraw/zinc/34/67/54/557346754.db2.gz NDVKIYQSIDORLI-UHFFFAOYSA-N 0 0 432.474 3.986 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ncnc3[nH]cnc31)CCCC2 ZINC000013572731 557348293 /nfs/dbraw/zinc/34/82/93/557348293.db2.gz WRRNDMUDDUHSFC-SNVBAGLBSA-N 0 0 431.543 3.589 50 0 IHAARN COC(=O)C1CCN(C(=O)c2ccc(-c3cc(-c4ccc5c(c4)OCCO5)n[nH]3)cc2)CC1 ZINC000023336066 557348549 /nfs/dbraw/zinc/34/85/49/557348549.db2.gz JPUPJWLCEVBIRV-UHFFFAOYSA-N 0 0 447.491 3.540 50 0 IHAARN CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000024444903 557361318 /nfs/dbraw/zinc/36/13/18/557361318.db2.gz BTNZDFOYHRVQIA-UHFFFAOYSA-N 0 0 428.432 3.533 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000102663094 557361921 /nfs/dbraw/zinc/36/19/21/557361921.db2.gz UBZIBLXCIWQIKU-YTFSRNRJSA-N 0 0 448.450 3.894 50 0 IHAARN CC(C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000023510513 557364611 /nfs/dbraw/zinc/36/46/11/557364611.db2.gz GYDVQUIFDFSDKJ-UHFFFAOYSA-N 0 0 435.977 3.573 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1ncnc2c1cnn2C ZINC000011682545 557366224 /nfs/dbraw/zinc/36/62/24/557366224.db2.gz PDWGIYWESWJFSU-UHFFFAOYSA-N 0 0 443.510 3.592 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CSc3ncnc4c3cnn4C)[C@H](c3ccco3)C2)cc1 ZINC000011681718 557366236 /nfs/dbraw/zinc/36/62/36/557366236.db2.gz GKGRMFOOJAKXEP-SFHVURJKSA-N 0 0 432.509 3.735 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1OC ZINC000023624897 557369158 /nfs/dbraw/zinc/36/91/58/557369158.db2.gz FTXQIKCBBGLZKP-UHFFFAOYSA-N 0 0 430.551 3.740 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000014683194 557369363 /nfs/dbraw/zinc/36/93/63/557369363.db2.gz VPXDYCHLKFLWKP-LJQANCHMSA-N 0 0 436.537 3.670 50 0 IHAARN COC(=O)c1ccc(OC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c(OC)c1 ZINC000023886937 557377662 /nfs/dbraw/zinc/37/76/62/557377662.db2.gz JSCUPRJJQMZACD-UHFFFAOYSA-N 0 0 437.477 3.864 50 0 IHAARN CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccccc3Cl)N12 ZINC000102745776 557378114 /nfs/dbraw/zinc/37/81/14/557378114.db2.gz CAAOLDAECIKTRN-IBGZPJMESA-N 0 0 449.960 3.631 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 ZINC000023889653 557378466 /nfs/dbraw/zinc/37/84/66/557378466.db2.gz DUBAILVNFCCHGO-UHFFFAOYSA-N 0 0 432.505 3.950 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)cc1OC ZINC000011694904 557392327 /nfs/dbraw/zinc/39/23/27/557392327.db2.gz QXSDTSZGRXHZRE-SMHULIPUSA-N 0 0 441.919 3.997 50 0 IHAARN CCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1 ZINC000011695786 557393926 /nfs/dbraw/zinc/39/39/26/557393926.db2.gz TURBKQXKJQLVHH-UHFFFAOYSA-N 0 0 439.947 3.685 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000013955757 557397491 /nfs/dbraw/zinc/39/74/91/557397491.db2.gz ZHXLKFGEUHBVDG-UHFFFAOYSA-N 0 0 427.505 3.658 50 0 IHAARN CN1c2ccccc2C(C)(C)[C@]12CC(c1cccc(S(=O)(=O)N3CCCC3)c1)=NO2 ZINC000004871587 557399914 /nfs/dbraw/zinc/39/99/14/557399914.db2.gz VYSDLSSWHAOVRU-HSZRJFAPSA-N 0 0 425.554 3.719 50 0 aggregator IHAARN CCOC(=O)C(=C(O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 ZINC000103124254 557419404 /nfs/dbraw/zinc/41/94/04/557419404.db2.gz INOKKCJHZGPOHE-QGZVFWFLSA-N 0 0 442.566 3.918 50 0 IHAARN CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000103140255 557422385 /nfs/dbraw/zinc/42/23/85/557422385.db2.gz JMUHLGHJSMADLW-HKUYNNGSSA-N 0 0 443.297 3.921 50 0 IHAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103533710 557437920 /nfs/dbraw/zinc/43/79/20/557437920.db2.gz VXCLYNXHHVLCPH-ZJSPYRCASA-N 0 0 448.522 3.997 50 0 IHAARN CCOc1cc(C(=O)Oc2ccc(C(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000014463715 557447055 /nfs/dbraw/zinc/44/70/55/557447055.db2.gz YIPOJLGXWSNKOA-UHFFFAOYSA-N 0 0 425.481 3.898 50 0 IHAARN Cc1ccc(CN2C(=O)N[C@@]3(CCCN(C(=O)c4ccc(F)c(Cl)c4)C3)C2=O)cc1 ZINC000097943854 557453324 /nfs/dbraw/zinc/45/33/24/557453324.db2.gz RYDORQBGQPUMNR-JOCHJYFZSA-N 0 0 429.879 3.514 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)c1 ZINC000245258135 557461982 /nfs/dbraw/zinc/46/19/82/557461982.db2.gz KXMISFNZOIUNND-QMTMVMCOSA-N 0 0 434.558 3.514 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)cc2)o1 ZINC000051317340 557468607 /nfs/dbraw/zinc/46/86/07/557468607.db2.gz QMYGZBOCWMTIJP-UHFFFAOYSA-N 0 0 437.876 3.985 50 0 IHAARN CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C ZINC000051317884 557469577 /nfs/dbraw/zinc/46/95/77/557469577.db2.gz PCLFUXKYXOOTQD-UHFFFAOYSA-N 0 0 429.318 3.975 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCc1cc(-c2cccs2)on1 ZINC000018355521 557497427 /nfs/dbraw/zinc/49/74/27/557497427.db2.gz KWOJALJMRQHSOY-UHFFFAOYSA-N 0 0 426.475 3.808 50 0 IHAARN CSc1nn(CC(=O)NCc2ccccc2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914745 557513331 /nfs/dbraw/zinc/51/33/31/557513331.db2.gz BGXSBSSVSCTGPC-UHFFFAOYSA-N 0 0 434.525 3.529 50 0 IHAARN CSc1nn(CC(=O)NCc2ccc(C)cc2)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914755 557514046 /nfs/dbraw/zinc/51/40/46/557514046.db2.gz DVIRTGYZXFAMKD-UHFFFAOYSA-N 0 0 448.552 3.837 50 0 IHAARN COc1ccccc1Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21 ZINC000047146390 557517043 /nfs/dbraw/zinc/51/70/43/557517043.db2.gz MVBREDYLBNDPSS-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN Cc1ccccc1S(=O)(=O)NCc1nc2cccnc2n1Cc1ccccc1Cl ZINC000047147395 557517766 /nfs/dbraw/zinc/51/77/66/557517766.db2.gz WPCACAYSMDAUAX-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN COc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)NC1CCCC1 ZINC000107134546 557534753 /nfs/dbraw/zinc/53/47/53/557534753.db2.gz PKRQLJVNYWNFHD-VDGAXYAQSA-N 0 0 434.602 3.957 50 0 IHAARN CCN(C(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)c1cccc(C)c1 ZINC000044839465 557539144 /nfs/dbraw/zinc/53/91/44/557539144.db2.gz HKUIFTDXUHSYRU-UHFFFAOYSA-N 0 0 441.531 3.767 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@H]1C ZINC000108883602 557544015 /nfs/dbraw/zinc/54/40/15/557544015.db2.gz PKJNQZKOIJLFOI-UWVAXJGDSA-N 0 0 436.581 3.873 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)cc(NC(=O)CC)c2=O)cc1 ZINC000045896433 557545836 /nfs/dbraw/zinc/54/58/36/557545836.db2.gz GHSAKKGTWZLWKR-UHFFFAOYSA-N 0 0 434.496 3.605 50 0 IHAARN COc1ccc([C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccccc2)cc1 ZINC000045824033 557545975 /nfs/dbraw/zinc/54/59/75/557545975.db2.gz LHFKGOUJNYANPF-RLBLXZPPSA-N 0 0 439.581 3.627 50 0 IHAARN CCCn1c2nnc(CCC(=O)Nc3cccc(SC)c3)n2c2ccsc2c1=O ZINC000045895886 557546679 /nfs/dbraw/zinc/54/66/79/557546679.db2.gz BVCBJXNBCGJVOR-UHFFFAOYSA-N 0 0 427.555 3.809 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000045925547 557550146 /nfs/dbraw/zinc/55/01/46/557550146.db2.gz URFBDSWFRPCUSE-UHFFFAOYSA-N 0 0 443.891 3.916 50 0 IHAARN CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000045960627 557554613 /nfs/dbraw/zinc/55/46/13/557554613.db2.gz JQTTWZVQVIPSAA-UHFFFAOYSA-N 0 0 437.565 3.953 50 0 IHAARN O=C(Nc1cc(-n2cnnn2)ccc1N1CCCCC1)c1ccc(Br)cc1 ZINC000045961271 557555049 /nfs/dbraw/zinc/55/50/49/557555049.db2.gz NRAYQLMDJIYXNH-UHFFFAOYSA-N 0 0 427.306 3.667 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)ccc1OC)C(=O)CS2 ZINC000045960905 557555089 /nfs/dbraw/zinc/55/50/89/557555089.db2.gz GMFLYBMNKXQNHN-UHFFFAOYSA-N 0 0 441.553 3.563 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)N(C)Cc3ccco3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974036 557556039 /nfs/dbraw/zinc/55/60/39/557556039.db2.gz KRNVQSCVJBGBKA-UHFFFAOYSA-N 0 0 443.544 3.691 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000045970027 557557611 /nfs/dbraw/zinc/55/76/11/557557611.db2.gz VBSPNTWSIBVRCE-UHFFFAOYSA-N 0 0 432.867 3.874 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000045970029 557557620 /nfs/dbraw/zinc/55/76/20/557557620.db2.gz IHTKNMSPHIMGOA-UHFFFAOYSA-N 0 0 432.867 3.874 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1Cl ZINC000045970807 557558376 /nfs/dbraw/zinc/55/83/76/557558376.db2.gz UTQGXGIHGAQHLX-UHFFFAOYSA-N 0 0 431.949 3.916 50 0 IHAARN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000225416922 557720693 /nfs/dbraw/zinc/72/06/93/557720693.db2.gz JSUQMIPJOWUAKS-UHFFFAOYSA-N 0 0 446.345 3.797 50 0 IHAARN CCC[C@@H]1CCc2nc(NC(=O)[C@@](C)(O)Cn3ccc4sccc4c3=O)sc2C1 ZINC000225443596 557723366 /nfs/dbraw/zinc/72/33/66/557723366.db2.gz JCRSPHFXJZBRLU-ASSNKEHSSA-N 0 0 431.583 3.814 50 0 IHAARN CC(C)(C)OC(=O)CCC(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000225476763 557727324 /nfs/dbraw/zinc/72/73/24/557727324.db2.gz JUSKJMFGPGVHKX-UHFFFAOYSA-N 0 0 426.513 3.823 50 0 IHAARN COc1ccc(-c2noc([C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC ZINC000225527139 557736658 /nfs/dbraw/zinc/73/66/58/557736658.db2.gz JJIOHDQVDKHHCM-MRXNPFEDSA-N 0 0 439.493 3.844 50 0 IHAARN Cc1cc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000225532794 557737610 /nfs/dbraw/zinc/73/76/10/557737610.db2.gz NYNRGYDSDATADP-WGDIFIGCSA-N 0 0 444.535 3.699 50 0 IHAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000225611596 557751494 /nfs/dbraw/zinc/75/14/94/557751494.db2.gz NUBHLZOTGRIMDS-ROUUACIJSA-N 0 0 435.524 3.844 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)c1 ZINC000096323178 557779344 /nfs/dbraw/zinc/77/93/44/557779344.db2.gz RNNOBOBUIJAURR-UHFFFAOYSA-N 0 0 428.876 3.618 50 0 IHAARN Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)nc(-n3nc(C)cc3C)n2)n1 ZINC000000851471 557830783 /nfs/dbraw/zinc/83/07/83/557830783.db2.gz VQYNORFZAYDTPG-UHFFFAOYSA-N 0 0 439.321 3.983 50 0 IHAARN COc1cccc(/C=C2/N=C(c3ccc(I)cc3)OC2=O)c1OC ZINC000000854771 557831227 /nfs/dbraw/zinc/83/12/27/557831227.db2.gz ZYHPYQHRFGZKMZ-GXDHUFHOSA-N 0 0 435.217 3.653 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000229304555 557832071 /nfs/dbraw/zinc/83/20/71/557832071.db2.gz JBBICJCZWHMEMB-ITBLURSFSA-N 0 0 428.573 3.720 50 0 IHAARN COc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000095596345 557837334 /nfs/dbraw/zinc/83/73/34/557837334.db2.gz JMPJNNOSVCHYOU-UHFFFAOYSA-N 0 0 433.291 3.619 50 0 in-vitro IHAARN CC(C)(C)OC(=O)N[C@H](c1noc([C@@H]2COCCN2C2CCCC2)n1)c1ccccc1 ZINC000239782354 557845115 /nfs/dbraw/zinc/84/51/15/557845115.db2.gz CNXUGKKHGCDSHS-OALUTQOASA-N 0 0 428.533 4.000 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c1 ZINC000241277660 557846250 /nfs/dbraw/zinc/84/62/50/557846250.db2.gz LIARQPUKNUWLOR-UHFFFAOYSA-N 0 0 428.601 3.526 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc(OC)c1OC ZINC000000874148 557847977 /nfs/dbraw/zinc/84/79/77/557847977.db2.gz OALJFECBSPWCTI-UHFFFAOYSA-N 0 0 442.541 3.856 50 0 IHAARN CCOc1cc(/C=C/C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC(F)F ZINC000015012772 557852928 /nfs/dbraw/zinc/85/29/28/557852928.db2.gz QGHUAPVEPTWCCC-SOFGYWHQSA-N 0 0 449.406 3.912 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000884725 557854917 /nfs/dbraw/zinc/85/49/17/557854917.db2.gz GEYHFOJLPMQBCO-WMZOPIPTSA-N 0 0 432.450 3.858 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1Cl ZINC000003622843 560189026 /nfs/dbraw/zinc/18/90/26/560189026.db2.gz IQQCKAZHPZJGRN-GOSISDBHSA-N 0 0 429.856 3.879 50 0 biogenic,in-vitro IHAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1 ZINC000000976447 562919902 /nfs/dbraw/zinc/91/99/02/562919902.db2.gz IPYYMHMKTVDVFM-UHFFFAOYSA-N 0 0 427.555 3.840 50 0 IHAARN COc1cc(OC)c(NC(=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl ZINC000001156651 562920638 /nfs/dbraw/zinc/92/06/38/562920638.db2.gz DWFFQMKKAHCIJT-UHFFFAOYSA-N 0 0 443.283 3.995 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)cc1F ZINC000001428181 562921858 /nfs/dbraw/zinc/92/18/58/562921858.db2.gz NDMRARHQEKKLJX-UHFFFAOYSA-N 0 0 426.448 3.682 50 0 IHAARN Cc1nn(C(=O)CNS(=O)(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000001471302 562922072 /nfs/dbraw/zinc/92/20/72/562922072.db2.gz JNDAGAXOGUNWDS-UHFFFAOYSA-N 0 0 435.958 3.923 50 0 IHAARN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1 ZINC000002461715 562928083 /nfs/dbraw/zinc/92/80/83/562928083.db2.gz OLBNHGPJYBDLCQ-UHFFFAOYSA-N 0 0 427.457 3.538 50 0 IHAARN CC(C)n1nc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2c1=O ZINC000002654724 562929500 /nfs/dbraw/zinc/92/95/00/562929500.db2.gz UXILMXWYWMKSLU-NSHDSACASA-N 0 0 449.294 3.863 50 0 IHAARN O=S1(=O)C[C@H]2N=C(N(Cc3ccc(F)cc3Cl)c3ccccc3F)S[C@H]2C1 ZINC000002698798 562929881 /nfs/dbraw/zinc/92/98/81/562929881.db2.gz MNAGRIWQWCHDEM-WBVHZDCISA-N 0 0 428.913 3.893 50 0 IHAARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(C(=O)OC)cc1 ZINC000002976784 562931406 /nfs/dbraw/zinc/93/14/06/562931406.db2.gz KHNOGLRWCOJTBC-FQEVSTJZSA-N 0 0 427.497 3.795 50 0 IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000003019550 562931679 /nfs/dbraw/zinc/93/16/79/562931679.db2.gz SGUQFOYVEGOVSX-UHFFFAOYSA-N 0 0 428.485 3.608 50 0 IHAARN Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000003345988 562934623 /nfs/dbraw/zinc/93/46/23/562934623.db2.gz BHMSRWLACOLRFN-UHFFFAOYSA-N 0 0 440.521 3.691 50 0 IHAARN Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1 ZINC000003430249 562935728 /nfs/dbraw/zinc/93/57/28/562935728.db2.gz HCMJEPSIIHQWJZ-UHFFFAOYSA-N 0 0 441.520 3.801 50 0 aggregator IHAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c2C)no1 ZINC000003493407 562936280 /nfs/dbraw/zinc/93/62/80/562936280.db2.gz QPPVPRWFXCWFPI-UHFFFAOYSA-N 0 0 428.905 3.995 50 0 aggregator IHAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000003534015 562936398 /nfs/dbraw/zinc/93/63/98/562936398.db2.gz SRYFJOMVAXRWPZ-HZPDHXFCSA-N 0 0 439.537 3.703 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c1 ZINC000003585054 562936567 /nfs/dbraw/zinc/93/65/67/562936567.db2.gz KJGFWZJWDOUVJU-UHFFFAOYSA-N 0 0 439.295 3.637 50 0 IHAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 ZINC000004076736 562941427 /nfs/dbraw/zinc/94/14/27/562941427.db2.gz XPRCSYCAJDZIHI-UHFFFAOYSA-N 0 0 440.591 3.776 50 0 aggregator IHAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004142451 562942218 /nfs/dbraw/zinc/94/22/18/562942218.db2.gz UGWQDCMYZRDWNH-UHFFFAOYSA-N 0 0 442.493 3.646 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2c(C)noc2C)ccc1C ZINC000006508716 562946968 /nfs/dbraw/zinc/94/69/68/562946968.db2.gz HPARUZGDKUMMPP-UHFFFAOYSA-N 0 0 425.576 3.502 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1 ZINC000006577605 562947733 /nfs/dbraw/zinc/94/77/33/562947733.db2.gz IJGJEZPNKKSXTB-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1 ZINC000006577735 562947814 /nfs/dbraw/zinc/94/78/14/562947814.db2.gz AYBYWWWQCRFLLC-UHFFFAOYSA-N 0 0 428.510 3.829 50 0 IHAARN CC(C)N(C(=O)Cn1cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21)C(C)C ZINC000006867551 562948459 /nfs/dbraw/zinc/94/84/59/562948459.db2.gz IEDSIRWAACULNF-GOSISDBHSA-N 0 0 431.602 3.674 50 0 IHAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N(CC)CC ZINC000008583600 562949820 /nfs/dbraw/zinc/94/98/20/562949820.db2.gz AFXJCUFNEDDTMR-OAHLLOKOSA-N 0 0 432.981 3.929 50 0 IHAARN COc1cc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc(OC)c1OC ZINC000008586683 562950169 /nfs/dbraw/zinc/95/01/69/562950169.db2.gz YEXRNFDGJQGAHV-UHFFFAOYSA-N 0 0 426.444 3.859 50 0 IHAARN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000008588190 562950615 /nfs/dbraw/zinc/95/06/15/562950615.db2.gz BLLWGMRZQQEFGW-UHFFFAOYSA-N 0 0 436.946 3.967 50 0 IHAARN Cc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000008589064 562951008 /nfs/dbraw/zinc/95/10/08/562951008.db2.gz LBGSCQORUKBZMX-UHFFFAOYSA-N 0 0 436.515 3.978 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000008592500 562952332 /nfs/dbraw/zinc/95/23/32/562952332.db2.gz SGKBVKBPKJEQSG-KRWDZBQOSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000008592647 562952401 /nfs/dbraw/zinc/95/24/01/562952401.db2.gz IGIFJBLSZDKJOW-OAHLLOKOSA-N 0 0 444.528 3.624 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCc2ccccc2)c(OC)c1 ZINC000008593174 562952553 /nfs/dbraw/zinc/95/25/53/562952553.db2.gz VMCGPAOHICETNV-DEOSSOPVSA-N 0 0 430.504 3.760 50 0 biogenic IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccc(Cl)c1 ZINC000008593348 562952628 /nfs/dbraw/zinc/95/26/28/562952628.db2.gz BQAAVBKCZPDBDF-UHFFFAOYSA-N 0 0 445.972 3.786 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)c1 ZINC000008594016 562952926 /nfs/dbraw/zinc/95/29/26/562952926.db2.gz QDJFNQKDJPCCJJ-ZDUSSCGKSA-N 0 0 443.388 3.858 50 0 aggregator IHAARN COc1ccccc1NC(=O)c1ccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1 ZINC000008598883 562954495 /nfs/dbraw/zinc/95/44/95/562954495.db2.gz WKXFAECOKDAVKW-UHFFFAOYSA-N 0 0 435.457 3.887 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)C1 ZINC000008599777 562954850 /nfs/dbraw/zinc/95/48/50/562954850.db2.gz CGRWTYRKCZZRMD-MRXNPFEDSA-N 0 0 437.521 3.964 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000008600640 562955121 /nfs/dbraw/zinc/95/51/21/562955121.db2.gz GVGBVRRMSRQBGB-UHFFFAOYSA-N 0 0 432.549 3.837 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000008601365 562955298 /nfs/dbraw/zinc/95/52/98/562955298.db2.gz RSVPCVBCSHSZBK-LJQANCHMSA-N 0 0 437.876 3.782 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 ZINC000008601763 562955599 /nfs/dbraw/zinc/95/55/99/562955599.db2.gz QLNXOWFUYRMNEN-UHFFFAOYSA-N 0 0 440.956 3.868 50 0 IHAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4cccc(F)c4)c(=O)n3n2)c1 ZINC000008601926 562955750 /nfs/dbraw/zinc/95/57/50/562955750.db2.gz YEXWQWLUODEZEW-UHFFFAOYSA-N 0 0 427.439 3.797 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000008605151 562956616 /nfs/dbraw/zinc/95/66/16/562956616.db2.gz XFRWPZILBBFHJP-UHFFFAOYSA-N 0 0 448.497 3.508 50 0 IHAARN Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 ZINC000008605293 562956653 /nfs/dbraw/zinc/95/66/53/562956653.db2.gz NWLFBAVHHJECNF-UHFFFAOYSA-N 0 0 438.601 3.990 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(ccn(Cc4cccnc4)c3=O)nc2C)c1 ZINC000008605576 562956823 /nfs/dbraw/zinc/95/68/23/562956823.db2.gz GRIFKDVYDGEBRT-UHFFFAOYSA-N 0 0 442.475 3.577 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008606647 562957066 /nfs/dbraw/zinc/95/70/66/562957066.db2.gz JULGHYQWDPICJG-HSZRJFAPSA-N 0 0 440.459 3.709 50 0 IHAARN COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)ccc1O ZINC000008606653 562957078 /nfs/dbraw/zinc/95/70/78/562957078.db2.gz YPOTWRSQTYJADU-HSZRJFAPSA-N 0 0 428.448 3.637 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2=O)s1 ZINC000008607121 562957202 /nfs/dbraw/zinc/95/72/02/562957202.db2.gz QTUNLZOIGYCPDG-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n12 ZINC000008607037 562957241 /nfs/dbraw/zinc/95/72/41/562957241.db2.gz CHMJWYRTDCYWGB-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN O=C(Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccccc1 ZINC000008607192 562957289 /nfs/dbraw/zinc/95/72/89/562957289.db2.gz WOJKKPUZYSWAQQ-UHFFFAOYSA-N 0 0 446.488 3.638 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)cc2=O)s1 ZINC000008607364 562957300 /nfs/dbraw/zinc/95/73/00/562957300.db2.gz XKHBMBZVFSRNOA-UHFFFAOYSA-N 0 0 440.525 3.589 50 0 IHAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)n1C ZINC000008608116 562957421 /nfs/dbraw/zinc/95/74/21/562957421.db2.gz XGBIQXOXISEBTE-UHFFFAOYSA-N 0 0 437.993 3.646 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCc1cccs1 ZINC000008610920 562958310 /nfs/dbraw/zinc/95/83/10/562958310.db2.gz BDDAVFJEMRAEIX-UHFFFAOYSA-N 0 0 428.517 3.777 50 0 IHAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)N1CCOCC1 ZINC000008673783 562961292 /nfs/dbraw/zinc/96/12/92/562961292.db2.gz LLIVKIOAAJAUCX-UHFFFAOYSA-N 0 0 431.514 3.639 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000008690697 562963265 /nfs/dbraw/zinc/96/32/65/562963265.db2.gz KVBBYHPAYRZSOB-LEWJYISDSA-N 0 0 440.590 3.832 50 0 IHAARN CC(C)C[C@@H](C(=O)NCc1ccco1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789104 562964139 /nfs/dbraw/zinc/96/41/39/562964139.db2.gz BTAGMGMDLICHIS-CPJSRVTESA-N 0 0 448.523 3.528 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@H](O)c4ccccc4)ccc32)cc1 ZINC000008790863 562964221 /nfs/dbraw/zinc/96/42/21/562964221.db2.gz MLQDWRAQRJVTFL-QHCPKHFHSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)nc12 ZINC000008831466 562965043 /nfs/dbraw/zinc/96/50/43/562965043.db2.gz DYYCAUHOKVBKBT-GOSISDBHSA-N 0 0 429.476 3.988 50 0 IHAARN CCOc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cc1OC ZINC000009125125 562967453 /nfs/dbraw/zinc/96/74/53/562967453.db2.gz CIELGXOTEIXHRO-FQEVSTJZSA-N 0 0 440.540 3.971 50 0 IHAARN CCCCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009127752 562967573 /nfs/dbraw/zinc/96/75/73/562967573.db2.gz CTYFEZLGGQDKNK-QGZVFWFLSA-N 0 0 446.569 3.743 50 0 IHAARN S=C(NCCc1ccccc1)NC1CCC(NC(=S)NCCc2ccccc2)CC1 ZINC000009137055 562967737 /nfs/dbraw/zinc/96/77/37/562967737.db2.gz OHYIFLUJRDYHGZ-UHFFFAOYSA-N 0 0 440.682 3.711 50 0 IHAARN C[C@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276655 562968777 /nfs/dbraw/zinc/96/87/77/562968777.db2.gz IDACWRWGTDYABJ-MRXNPFEDSA-N 0 0 431.583 3.755 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000009351240 562969469 /nfs/dbraw/zinc/96/94/69/562969469.db2.gz MNKQFXCRCVDKAU-UHFFFAOYSA-N 0 0 442.537 3.514 50 0 IHAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000009352852 562969533 /nfs/dbraw/zinc/96/95/33/562969533.db2.gz VOANQIUDSSRLQH-CALCHBBNSA-N 0 0 434.492 3.703 50 0 IHAARN Cc1cc(OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000009435742 562971074 /nfs/dbraw/zinc/97/10/74/562971074.db2.gz QBLDSTNLQNSXCA-UHFFFAOYSA-N 0 0 441.911 3.952 50 0 IHAARN COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009463197 562971469 /nfs/dbraw/zinc/97/14/69/562971469.db2.gz VDYMSCCUNFHPKL-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN Cc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009493622 562972197 /nfs/dbraw/zinc/97/21/97/562972197.db2.gz DCPHQBXEFQEJIJ-UHFFFAOYSA-N 0 0 437.565 3.891 50 0 IHAARN O=C(CNc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009545523 562973201 /nfs/dbraw/zinc/97/32/01/562973201.db2.gz XLAFYKBTVRVTNB-UHFFFAOYSA-N 0 0 425.913 3.704 50 0 IHAARN O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009587105 562973621 /nfs/dbraw/zinc/97/36/21/562973621.db2.gz QOMCMBLVBVNGOM-GFCCVEGCSA-N 0 0 427.507 3.634 50 0 IHAARN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000009640442 562974639 /nfs/dbraw/zinc/97/46/39/562974639.db2.gz CPBFGZUOJZMGQG-SFHVURJKSA-N 0 0 438.549 3.707 50 0 IHAARN Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000009660385 562974836 /nfs/dbraw/zinc/97/48/36/562974836.db2.gz NNVUIGRLEXSZBS-UHFFFAOYSA-N 0 0 436.697 3.549 50 0 IHAARN CCOc1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 ZINC000010166354 562978457 /nfs/dbraw/zinc/97/84/57/562978457.db2.gz RQHMWCGYDCVQDM-UHFFFAOYSA-N 0 0 434.492 3.614 50 0 IHAARN CCOc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000015899983 563018297 /nfs/dbraw/zinc/01/82/97/563018297.db2.gz ZQAOKFWUCKLBLS-WJOKGBTCSA-N 0 0 440.565 3.965 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCCCc1ccccc1)nc2C ZINC000015942986 563019802 /nfs/dbraw/zinc/01/98/02/563019802.db2.gz KANSFAOYPRSGAV-HXUWFJFHSA-N 0 0 443.551 3.817 50 0 IHAARN CC[C@@H](C(=O)NCc1cccc(C)c1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943068 563019877 /nfs/dbraw/zinc/01/98/77/563019877.db2.gz HESDVRWXDBTULR-NRFANRHFSA-N 0 0 429.524 3.775 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(=O)N[C@@H](C)CCc1ccccc1)nc2C ZINC000015943014 563019881 /nfs/dbraw/zinc/01/98/81/563019881.db2.gz GJGCXYUTELQTLH-SFHVURJKSA-N 0 0 443.551 3.645 50 0 IHAARN O=C(c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1)N1CCN(c2ccccn2)CC1 ZINC000015943619 563020032 /nfs/dbraw/zinc/02/00/32/563020032.db2.gz FDOAHBFLMPROTD-SSEXGKCCSA-N 0 0 443.956 3.739 50 0 IHAARN O=C(c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1)N1CCN(c2ccccn2)CC1 ZINC000015943617 563020077 /nfs/dbraw/zinc/02/00/77/563020077.db2.gz FDOAHBFLMPROTD-PMERELPUSA-N 0 0 443.956 3.739 50 0 IHAARN Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000015944203 563020141 /nfs/dbraw/zinc/02/01/41/563020141.db2.gz MRIOUKAYVDASSK-INIZCTEOSA-N 0 0 444.528 3.841 50 0 IHAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccnc2)CC1 ZINC000020289796 563024510 /nfs/dbraw/zinc/02/45/10/563024510.db2.gz XTVQGNKVYGHBRH-WZONZLPQSA-N 0 0 436.581 3.834 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370265 563093500 /nfs/dbraw/zinc/09/35/00/563093500.db2.gz PJYXONGMKTZDLZ-XXBNENTESA-N 0 0 441.622 3.978 50 0 IHAARN COc1cc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc(OC)c1OC ZINC000037868714 563096020 /nfs/dbraw/zinc/09/60/20/563096020.db2.gz YXJYUXXJGPXVML-UHFFFAOYSA-N 0 0 445.475 3.879 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2n1C ZINC000248025084 568633337 /nfs/dbraw/zinc/63/33/37/568633337.db2.gz JFMBNMQKKYSBCK-CQSZACIVSA-N 0 0 446.960 3.648 50 0 IHAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1SC(F)F ZINC000015044243 568634479 /nfs/dbraw/zinc/63/44/79/568634479.db2.gz LOWXCXIUZSGLCW-UHFFFAOYSA-N 0 0 435.496 3.996 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000906720 568636369 /nfs/dbraw/zinc/63/63/69/568636369.db2.gz YRKWQYASCJDSFY-UHFFFAOYSA-N 0 0 440.525 3.819 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C ZINC000000917311 568636751 /nfs/dbraw/zinc/63/67/51/568636751.db2.gz QQJKIVUIJJGHDF-UHFFFAOYSA-N 0 0 445.932 3.598 50 0 IHAARN COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000000937552 568638744 /nfs/dbraw/zinc/63/87/44/568638744.db2.gz LPCKQFWXVFWOJI-UHFFFAOYSA-N 0 0 435.263 3.567 50 0 IHAARN CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000000937619 568638754 /nfs/dbraw/zinc/63/87/54/568638754.db2.gz GRKOVEJRBFKQCB-UHFFFAOYSA-N 0 0 432.571 3.549 50 0 IHAARN COc1ccc(C(=O)N2CN(CCCN3CCOCC3)Cc3c(C)c(C)sc32)cc1 ZINC000000938019 568639126 /nfs/dbraw/zinc/63/91/26/568639126.db2.gz BFVYXCJXKDLLBJ-UHFFFAOYSA-N 0 0 429.586 3.516 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)cc1O ZINC000086057417 568642715 /nfs/dbraw/zinc/64/27/15/568642715.db2.gz VXQNHJRQEJFQPO-CYBMUJFWSA-N 0 0 443.912 3.904 50 0 IHAARN COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)Nc2ccc(O)cc2)cc1 ZINC000211034100 568644856 /nfs/dbraw/zinc/64/48/56/568644856.db2.gz ATXIKPGSAFJPOG-KGENOOAVSA-N 0 0 448.475 3.828 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1OC ZINC000000954703 568646961 /nfs/dbraw/zinc/64/69/61/568646961.db2.gz PRMUTNWHHTUACC-LJQANCHMSA-N 0 0 440.891 3.661 50 0 IHAARN CNC(=S)N(Cc1ccc(OC)cc1OC)c1ccc(I)cc1 ZINC000001079299 568656777 /nfs/dbraw/zinc/65/67/77/568656777.db2.gz KGZDQYMNZZRKMJ-UHFFFAOYSA-N 0 0 442.322 3.819 50 0 IHAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)[C@H](O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257347293 568731096 /nfs/dbraw/zinc/73/10/96/568731096.db2.gz DGRJLOFFNWNGJO-BDXKZDRBSA-N 0 0 446.628 3.944 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(N)s2)cc1 ZINC000015156469 568731901 /nfs/dbraw/zinc/73/19/01/568731901.db2.gz LKMDGANDTYPATK-QGZVFWFLSA-N 0 0 425.539 3.599 50 0 IHAARN Cn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001171824 568735689 /nfs/dbraw/zinc/73/56/89/568735689.db2.gz QAFDYJAGICFNBJ-KRWDZBQOSA-N 0 0 426.929 3.506 50 0 biogenic IHAARN CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063366633 568739559 /nfs/dbraw/zinc/73/95/59/568739559.db2.gz STIBFMCYJADAHC-YADHBBJMSA-N 0 0 447.000 3.520 50 0 IHAARN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 ZINC000063493508 568740279 /nfs/dbraw/zinc/74/02/79/568740279.db2.gz HWXPQEYNQLTXFB-SWLSCSKDSA-N 0 0 427.302 3.867 50 0 IHAARN Cc1cccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)SC4)c1 ZINC000001902881 568742152 /nfs/dbraw/zinc/74/21/52/568742152.db2.gz KDBRKEFWSKMUHW-UHFFFAOYSA-N 0 0 431.608 3.901 50 0 IHAARN CC[C@@H](C)n1c(SCC(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003252322 568744018 /nfs/dbraw/zinc/74/40/18/568744018.db2.gz RTIZTDUKXSWVME-MRXNPFEDSA-N 0 0 438.619 3.685 50 0 IHAARN CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000003255958 568744204 /nfs/dbraw/zinc/74/42/04/568744204.db2.gz VPQMSOZVJTWGOC-OAQYLSRUSA-N 0 0 433.508 3.645 50 0 IHAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003357386 568746965 /nfs/dbraw/zinc/74/69/65/568746965.db2.gz SPTXSBRNLOHYBL-LLVKDONJSA-N 0 0 432.502 3.947 50 0 IHAARN Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000003354199 568746992 /nfs/dbraw/zinc/74/69/92/568746992.db2.gz SCCZFVOZOSQWAL-QGZVFWFLSA-N 0 0 425.934 3.616 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(N2CCC[C@@H](C)C2)n1 ZINC000044168449 568749125 /nfs/dbraw/zinc/74/91/25/568749125.db2.gz ASHXIWIPGVWMAU-GFCCVEGCSA-N 0 0 437.313 3.940 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000003506023 568750292 /nfs/dbraw/zinc/75/02/92/568750292.db2.gz SFDVUZBESFFGGV-UHFFFAOYSA-N 0 0 445.548 3.789 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000044273008 568750377 /nfs/dbraw/zinc/75/03/77/568750377.db2.gz JABWIRLOBZXELM-UHFFFAOYSA-N 0 0 438.534 3.764 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCOC(=O)COc3ccccc3)cc12 ZINC000003515798 568750380 /nfs/dbraw/zinc/75/03/80/568750380.db2.gz NETIVSFEUXPIKA-UHFFFAOYSA-N 0 0 435.505 3.747 50 0 IHAARN COC[C@H](C)NC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000003645239 568752551 /nfs/dbraw/zinc/75/25/51/568752551.db2.gz KCSSNSKUZNWNJX-NSHDSACASA-N 0 0 443.447 3.524 50 0 IHAARN O=C(OCc1cc(=O)n2ccccc2n1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000019166221 568754308 /nfs/dbraw/zinc/75/43/08/568754308.db2.gz UWLWOYLGXDRIKM-UHFFFAOYSA-N 0 0 447.516 3.617 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2nnsc2NC(=O)Nc2ccc(C)cc2)cc1 ZINC000003770859 568754657 /nfs/dbraw/zinc/75/46/57/568754657.db2.gz VAXUYBPBKMQOAO-UHFFFAOYSA-N 0 0 425.470 3.920 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 ZINC000015315732 568755186 /nfs/dbraw/zinc/75/51/86/568755186.db2.gz QNUHCJBJLSJNHP-CYBMUJFWSA-N 0 0 431.286 3.520 50 0 IHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C)C1=O ZINC000299755743 568755228 /nfs/dbraw/zinc/75/52/28/568755228.db2.gz CWNGXQLGSVTJBK-OAQYLSRUSA-N 0 0 436.405 3.520 50 0 IHAARN Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2nnc(-c4ccccc4)[nH]2)C3)nc1 ZINC000299765346 568756137 /nfs/dbraw/zinc/75/61/37/568756137.db2.gz AGBVTJSRLXYIHQ-LJQANCHMSA-N 0 0 425.492 3.505 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000299765436 568756203 /nfs/dbraw/zinc/75/62/03/568756203.db2.gz GSGHCSQHDUDVBV-XMMPIXPASA-N 0 0 443.588 3.593 50 0 IHAARN O=C(NCCn1ccnc1)[C@@H]1CC12CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000299795750 568757920 /nfs/dbraw/zinc/75/79/20/568757920.db2.gz NFJFPBYWGDUISC-GOTSBHOMSA-N 0 0 434.584 3.602 50 0 IHAARN CCCCn1c(CN(C)Cc2ccc(Cl)s2)nc2cc(S(N)(=O)=O)ccc21 ZINC000015414622 568761841 /nfs/dbraw/zinc/76/18/41/568761841.db2.gz VEAABZXGXVJGPA-UHFFFAOYSA-N 0 0 426.995 3.831 50 0 IHAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000001247057 568774880 /nfs/dbraw/zinc/77/48/80/568774880.db2.gz CMXFDWPJNKTELY-GFCCVEGCSA-N 0 0 430.551 3.952 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCC[C@H](C)C4)nc23)cc1 ZINC000263615088 568775756 /nfs/dbraw/zinc/77/57/56/568775756.db2.gz AMSCGOWHXOWYEH-AWEZNQCLSA-N 0 0 441.582 3.971 50 0 IHAARN COc1ccc(-c2nn3ccn(Cc4nc(-c5ccccc5)oc4C)c(=O)c3c2CO)cc1 ZINC000263615525 568776029 /nfs/dbraw/zinc/77/60/29/568776029.db2.gz CUTLVXPZFSHEKO-UHFFFAOYSA-N 0 0 442.475 3.676 50 0 IHAARN CSc1ccc(CNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000263617393 568777250 /nfs/dbraw/zinc/77/72/50/568777250.db2.gz NOJFBXULXNAYLG-UHFFFAOYSA-N 0 0 435.597 3.863 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC ZINC000263618979 568777856 /nfs/dbraw/zinc/77/78/56/568777856.db2.gz WJCWRYHJOUDNNP-MRXNPFEDSA-N 0 0 439.468 3.748 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1 ZINC000263618282 568778237 /nfs/dbraw/zinc/77/82/37/568778237.db2.gz SBHJNZFNCFYARP-FQEVSTJZSA-N 0 0 426.448 3.738 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001301419 568778951 /nfs/dbraw/zinc/77/89/51/568778951.db2.gz CGEOFMBZFRAORS-HSZRJFAPSA-N 0 0 444.487 3.678 50 0 IHAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3)c1ccccc1 ZINC000001300571 568779008 /nfs/dbraw/zinc/77/90/08/568779008.db2.gz TWZMGBAGKRFQFT-UHFFFAOYSA-N 0 0 429.567 3.601 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Br)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019171584 568782327 /nfs/dbraw/zinc/78/23/27/568782327.db2.gz OQJKGILEFIBHHE-KSZLIROESA-N 0 0 446.732 3.638 50 0 IHAARN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)s1 ZINC000083830236 568782803 /nfs/dbraw/zinc/78/28/03/568782803.db2.gz YIKVXTFETBJIKU-NSHDSACASA-N 0 0 426.468 3.978 50 0 IHAARN COc1cccc(C2=NN(C(=O)c3ccccc3Br)[C@@](O)(C(F)(F)F)C2)c1 ZINC000004163784 568782973 /nfs/dbraw/zinc/78/29/73/568782973.db2.gz UMNAYBZYYLLOLC-KRWDZBQOSA-N 0 0 443.219 3.959 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NCCC4=CCCCC4)n3n2)cc1 ZINC000045939225 568783470 /nfs/dbraw/zinc/78/34/70/568783470.db2.gz TXYXOCSCFMOABO-UHFFFAOYSA-N 0 0 437.569 3.746 50 0 IHAARN CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000083862100 568784055 /nfs/dbraw/zinc/78/40/55/568784055.db2.gz WNMPMDHCKUVMAW-OAHLLOKOSA-N 0 0 445.445 3.769 50 0 IHAARN COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](CC3CCCCC3)N21 ZINC000001394601 568785583 /nfs/dbraw/zinc/78/55/83/568785583.db2.gz YPSKXEVZMGXNID-MRXNPFEDSA-N 0 0 445.541 3.539 50 0 IHAARN O=C(C[C@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000016626631 568787847 /nfs/dbraw/zinc/78/78/47/568787847.db2.gz UKZJDPWHODYYBM-SFHVURJKSA-N 0 0 449.942 3.511 50 0 IHAARN COc1ccc2nc(N3CCC(C(=O)NCC[N@H+](C)Cc4ccccc4)CC3)sc2c1 ZINC000004757439 568791256 /nfs/dbraw/zinc/79/12/56/568791256.db2.gz BMRWBNUSORBWAV-UHFFFAOYSA-N 0 0 438.597 3.770 50 0 IHAARN CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 ZINC000001420047 568791660 /nfs/dbraw/zinc/79/16/60/568791660.db2.gz GANHUCHPQYNYPW-UHFFFAOYSA-N 0 0 431.492 3.799 50 0 IHAARN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)[nH]1 ZINC000084240710 568796513 /nfs/dbraw/zinc/79/65/13/568796513.db2.gz BCKMOMCRKLJDOH-UHFFFAOYSA-N 0 0 449.471 3.732 50 0 IHAARN NC(=O)c1cccc(OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 ZINC000084374516 568797618 /nfs/dbraw/zinc/79/76/18/568797618.db2.gz XYHCYNKSYSKJAO-UHFFFAOYSA-N 0 0 440.297 3.832 50 0 IHAARN O=C(c1cc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)c[nH]1)N1CCCC1 ZINC000084452269 568797989 /nfs/dbraw/zinc/79/79/89/568797989.db2.gz RPEBTEOVENPPCP-UHFFFAOYSA-N 0 0 445.488 3.571 50 0 IHAARN CC(C)CCN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C ZINC000084510375 568798382 /nfs/dbraw/zinc/79/83/82/568798382.db2.gz BKKQULLIJBNGHU-NRFANRHFSA-N 0 0 428.577 3.872 50 0 IHAARN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000084514932 568798441 /nfs/dbraw/zinc/79/84/41/568798441.db2.gz OYGCTGMBIHMVJF-UHFFFAOYSA-N 0 0 444.470 3.974 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(C)c3)n2)c1 ZINC000015670455 568801960 /nfs/dbraw/zinc/80/19/60/568801960.db2.gz KLJHEFYUMGRCCW-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1 ZINC000015670082 568802170 /nfs/dbraw/zinc/80/21/70/568802170.db2.gz RQRQMPHKFPXPEP-SFHVURJKSA-N 0 0 426.480 3.824 50 0 IHAARN Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675260 568803699 /nfs/dbraw/zinc/80/36/99/568803699.db2.gz QCQISSWIORIUBJ-UHFFFAOYSA-N 0 0 428.602 3.583 50 0 IHAARN COc1ccc(CN(C(=O)Nc2ccc3c(c2)OCCO3)C2CCN(C(C)=O)CC2)cc1 ZINC000015679707 568805626 /nfs/dbraw/zinc/80/56/26/568805626.db2.gz NBVOMAIOGZHGQI-UHFFFAOYSA-N 0 0 439.512 3.511 50 0 IHAARN COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 ZINC000015681304 568806397 /nfs/dbraw/zinc/80/63/97/568806397.db2.gz AXKOBRGMSFSCTA-UHFFFAOYSA-N 0 0 430.508 3.961 50 0 IHAARN Cc1ccc(C)c(CN2CCCN(CC(=O)Nc3c(C)cc(C)cc3C)S2(=O)=O)c1 ZINC000015725823 568812358 /nfs/dbraw/zinc/81/23/58/568812358.db2.gz XNMQHUQYEDJGJV-UHFFFAOYSA-N 0 0 429.586 3.620 50 0 IHAARN Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000015728857 568813120 /nfs/dbraw/zinc/81/31/20/568813120.db2.gz SKQJYICXKMLMRJ-UHFFFAOYSA-N 0 0 433.556 3.961 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2C1=O ZINC000012809187 568813875 /nfs/dbraw/zinc/81/38/75/568813875.db2.gz IUJVOQHUQKFEEA-UHFFFAOYSA-N 0 0 439.468 3.834 50 0 IHAARN C[C@H]1CSc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2NC1=O ZINC000015730846 568814222 /nfs/dbraw/zinc/81/42/22/568814222.db2.gz PJNRYSIQGRCPOA-JTQLQIEISA-N 0 0 427.345 3.930 50 0 IHAARN C[C@@H]1CSc2ccc(S(=O)(=O)NCc3cccc(Br)c3)cc2NC1=O ZINC000015731196 568814612 /nfs/dbraw/zinc/81/46/12/568814612.db2.gz OYQRQWXUVGIXJV-LLVKDONJSA-N 0 0 441.372 3.608 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1noc(C)c1Cn1nc(C)cc1C ZINC000015736242 568817116 /nfs/dbraw/zinc/81/71/16/568817116.db2.gz SORASDYKETWROM-UHFFFAOYSA-N 0 0 433.306 3.546 50 0 IHAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)CSCc3c(C)noc3C)c2)c1C ZINC000025986883 568819247 /nfs/dbraw/zinc/81/92/47/568819247.db2.gz NXRNMWGMRMCSGB-UHFFFAOYSA-N 0 0 428.514 3.834 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000001464477 568820039 /nfs/dbraw/zinc/82/00/39/568820039.db2.gz DPNNZLINGWYFBK-MOSHPQCFSA-N 0 0 447.903 3.563 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2=O)s1 ZINC000015771882 568822619 /nfs/dbraw/zinc/82/26/19/568822619.db2.gz KMTNIQUNGUJAAQ-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CCC)sc3n2)cc1 ZINC000015772381 568822899 /nfs/dbraw/zinc/82/28/99/568822899.db2.gz LZWVYHLGHJWZSZ-UHFFFAOYSA-N 0 0 428.514 3.589 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000015774100 568823128 /nfs/dbraw/zinc/82/31/28/568823128.db2.gz VGXVILGCRDKACI-QHCPKHFHSA-N 0 0 430.504 3.634 50 0 biogenic IHAARN COc1ccccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779703 568825040 /nfs/dbraw/zinc/82/50/40/568825040.db2.gz PSFUCVHVASMQGD-UHFFFAOYSA-N 0 0 433.531 3.509 50 0 IHAARN COc1cccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c1OC ZINC000015781257 568825806 /nfs/dbraw/zinc/82/58/06/568825806.db2.gz MGNBJHFEXMULGG-HXUWFJFHSA-N 0 0 447.484 3.689 50 0 IHAARN CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000015781451 568825997 /nfs/dbraw/zinc/82/59/97/568825997.db2.gz HFECXWCHDAWLEO-UHFFFAOYSA-N 0 0 436.599 3.887 50 0 IHAARN COc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)c(OC)c1 ZINC000085642057 568828910 /nfs/dbraw/zinc/82/89/10/568828910.db2.gz DHCPBTXHBDZTML-UHFFFAOYSA-N 0 0 443.525 3.841 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)c1 ZINC000015785308 568829564 /nfs/dbraw/zinc/82/95/64/568829564.db2.gz DUWQYLRPYLTXQA-UHFFFAOYSA-N 0 0 431.286 3.544 50 0 IHAARN O=C(Nc1ccc(Br)cc1)N1CCN(Cc2ccc3nccnc3c2)CC1 ZINC000015786388 568836089 /nfs/dbraw/zinc/83/60/89/568836089.db2.gz KXULULHOIIVFSR-UHFFFAOYSA-N 0 0 426.318 3.742 50 0 IHAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cnn(C)c2C)cc1 ZINC000085877081 568838468 /nfs/dbraw/zinc/83/84/68/568838468.db2.gz KWQYNBIKZXLACB-HNNXBMFYSA-N 0 0 432.432 3.657 50 0 biogenic IHAARN Cn1c2ccccc2nc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006144086 568845975 /nfs/dbraw/zinc/84/59/75/568845975.db2.gz DEBZWUJAGODDGF-UHFFFAOYSA-N 0 0 429.567 3.723 50 0 IHAARN CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ccc21 ZINC000015863247 568849047 /nfs/dbraw/zinc/84/90/47/568849047.db2.gz HFLJPYJOLRYMTB-UHFFFAOYSA-N 0 0 429.883 3.735 50 0 IHAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000015863952 568849519 /nfs/dbraw/zinc/84/95/19/568849519.db2.gz OKPKGBZBOFNAQS-UHFFFAOYSA-N 0 0 437.477 3.685 50 0 IHAARN CCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000015880794 568854270 /nfs/dbraw/zinc/85/42/70/568854270.db2.gz GCPNBWSEFFZSHN-UHFFFAOYSA-N 0 0 425.510 3.978 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1 ZINC000015881013 568854424 /nfs/dbraw/zinc/85/44/24/568854424.db2.gz JSZQPFVGNJCYHE-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015881981 568856246 /nfs/dbraw/zinc/85/62/46/568856246.db2.gz JTOKXCMIVPFFQB-NRFANRHFSA-N 0 0 429.494 3.550 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 ZINC000015968534 568861236 /nfs/dbraw/zinc/86/12/36/568861236.db2.gz BDTQGAJMRBHBCR-UHFFFAOYSA-N 0 0 426.904 3.862 50 0 IHAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(OC)cc1Cl ZINC000015970424 568861433 /nfs/dbraw/zinc/86/14/33/568861433.db2.gz ONUGDKREGLOFFA-UHFFFAOYSA-N 0 0 438.933 3.702 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000015973405 568861506 /nfs/dbraw/zinc/86/15/06/568861506.db2.gz IYERFPXIFJOEGP-KHJUTWJGSA-N 0 0 429.879 3.758 50 0 IHAARN O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414934 568862453 /nfs/dbraw/zinc/86/24/53/568862453.db2.gz RHMOXJMKSBTHEH-FQEVSTJZSA-N 0 0 430.913 3.997 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)s1 ZINC000016047755 568869171 /nfs/dbraw/zinc/86/91/71/568869171.db2.gz MPQBBPRCZBLYIH-UHFFFAOYSA-N 0 0 431.495 3.660 50 0 IHAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 ZINC000016048008 568869318 /nfs/dbraw/zinc/86/93/18/568869318.db2.gz FXGJCTIPRMPUBY-UHFFFAOYSA-N 0 0 429.292 3.610 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1F)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012947955 568871482 /nfs/dbraw/zinc/87/14/82/568871482.db2.gz TUQUFRGWJRZBQB-UHFFFAOYSA-N 0 0 425.938 3.595 50 0 IHAARN O=C(COc1c(I)cc(Cl)c2cccnc21)NCc1ccco1 ZINC000006189613 568872711 /nfs/dbraw/zinc/87/27/11/568872711.db2.gz KOIFOQNLOYHVTJ-UHFFFAOYSA-N 0 0 442.640 3.781 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cc1ccccc1 ZINC000016274484 568875307 /nfs/dbraw/zinc/87/53/07/568875307.db2.gz WONINAZSPVNVDI-UHFFFAOYSA-N 0 0 436.533 3.979 50 0 IHAARN Cc1cc(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1Cc1ccco1 ZINC000053517417 568876636 /nfs/dbraw/zinc/87/66/36/568876636.db2.gz IEKIWHYIYOLAOL-UHFFFAOYSA-N 0 0 432.524 3.909 50 0 IHAARN O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000575610181 568878868 /nfs/dbraw/zinc/87/88/68/568878868.db2.gz LPQVLFFHCJJDOL-CQSZACIVSA-N 0 0 433.429 3.919 50 0 IHAARN Cn1cc(CC(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c2ccccc21 ZINC000575617651 568881960 /nfs/dbraw/zinc/88/19/60/568881960.db2.gz QGJUQPHHAPRDST-NRFANRHFSA-N 0 0 430.957 3.763 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 ZINC000035478076 568882567 /nfs/dbraw/zinc/88/25/67/568882567.db2.gz DCNGJYDEQIPOKH-HXUWFJFHSA-N 0 0 430.508 3.804 50 0 IHAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)ccc2s1 ZINC000009599523 568884127 /nfs/dbraw/zinc/88/41/27/568884127.db2.gz ADWQAKDQBVAPAI-QGZVFWFLSA-N 0 0 445.566 3.657 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000012961908 568884674 /nfs/dbraw/zinc/88/46/74/568884674.db2.gz YYBNALXIZMKCKT-UHFFFAOYSA-N 0 0 426.852 3.992 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 ZINC000090504328 568886546 /nfs/dbraw/zinc/88/65/46/568886546.db2.gz QTGDSTBAZZUGQN-UHFFFAOYSA-N 0 0 445.498 3.981 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000229762320 568886706 /nfs/dbraw/zinc/88/67/06/568886706.db2.gz WRIUSJGKZLKNKS-LFGUQSLTSA-N 0 0 435.540 3.631 50 0 IHAARN COc1ccccc1S(=O)(=O)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594388 568889046 /nfs/dbraw/zinc/88/90/46/568889046.db2.gz WURDNICNMNFKTH-UHFFFAOYSA-N 0 0 444.456 3.776 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000014255556 568893271 /nfs/dbraw/zinc/89/32/71/568893271.db2.gz DFSGNGXIIXKUGB-BQUCVHFLSA-N 0 0 426.582 3.837 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)C[C@@H]2C)c1 ZINC000035557048 568893425 /nfs/dbraw/zinc/89/34/25/568893425.db2.gz WYWUKOCGGZBFKQ-HNNXBMFYSA-N 0 0 444.582 3.883 50 0 IHAARN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(C)c1 ZINC000012987193 568895088 /nfs/dbraw/zinc/89/50/88/568895088.db2.gz GBKDVXNMNKAZQJ-UHFFFAOYSA-N 0 0 436.961 3.550 50 0 IHAARN O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012998642 568897614 /nfs/dbraw/zinc/89/76/14/568897614.db2.gz LKUJCHWDOKKUEU-UHFFFAOYSA-N 0 0 446.507 3.767 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000013003675 568898744 /nfs/dbraw/zinc/89/87/44/568898744.db2.gz SVEAGSCLWGKSFI-UHFFFAOYSA-N 0 0 433.331 3.519 50 0 IHAARN COc1ccc2oc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(C)c2c1 ZINC000013004787 568898940 /nfs/dbraw/zinc/89/89/40/568898940.db2.gz HARBPONHHOXSNQ-UHFFFAOYSA-N 0 0 444.871 3.657 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000013005186 568899184 /nfs/dbraw/zinc/89/91/84/568899184.db2.gz AIMZRADAPWCNJO-UHFFFAOYSA-N 0 0 444.578 3.641 50 0 IHAARN O=C(Nc1cccc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000013008467 568899468 /nfs/dbraw/zinc/89/94/68/568899468.db2.gz YPTYJWJDLPVUGK-UHFFFAOYSA-N 0 0 430.913 3.766 50 0 IHAARN Cc1ccc(-c2nc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)cs2)cc1 ZINC000013007782 568899557 /nfs/dbraw/zinc/89/95/57/568899557.db2.gz DJDOEVWCTAXKLY-UHFFFAOYSA-N 0 0 438.528 3.654 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 ZINC000013010148 568899810 /nfs/dbraw/zinc/89/98/10/568899810.db2.gz QOYBWEHCMQWGKF-AWEZNQCLSA-N 0 0 427.574 3.631 50 0 IHAARN O=C(c1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2ccccc2F)CC1 ZINC000013011266 568900057 /nfs/dbraw/zinc/90/00/57/568900057.db2.gz LBKUCRIMAYGETQ-UHFFFAOYSA-N 0 0 429.492 3.958 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC)cc1 ZINC000100821142 568900414 /nfs/dbraw/zinc/90/04/14/568900414.db2.gz MTEYOIXSYCWMOD-XDOYNYLZSA-N 0 0 435.546 3.633 50 0 IHAARN C[C@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@H](C)O1 ZINC000013013994 568901638 /nfs/dbraw/zinc/90/16/38/568901638.db2.gz AKNCWVSFHYCAIJ-QWRGUYRKSA-N 0 0 428.327 3.906 50 0 IHAARN COc1ccc(CNC(=O)CSCCOc2cccc(Br)c2)cc1OC ZINC000013017908 568901851 /nfs/dbraw/zinc/90/18/51/568901851.db2.gz NREXUUWRGCBRFX-UHFFFAOYSA-N 0 0 440.359 3.895 50 0 IHAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(C2CC2)n1C1CC1 ZINC000013021885 568902269 /nfs/dbraw/zinc/90/22/69/568902269.db2.gz OLQIMPQJJVWTFZ-UHFFFAOYSA-N 0 0 436.559 3.780 50 0 IHAARN CC(C)n1cccc1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524730155 568903892 /nfs/dbraw/zinc/90/38/92/568903892.db2.gz XOEIOMABOHYAEE-QHCPKHFHSA-N 0 0 428.492 3.500 50 0 biogenic IHAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000245246831 568913428 /nfs/dbraw/zinc/91/34/28/568913428.db2.gz PFYDWLWDOUQOTL-QAQDUYKDSA-N 0 0 434.496 3.506 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245257203 568914125 /nfs/dbraw/zinc/91/41/25/568914125.db2.gz WZBOSIJWIIQYLD-CMOCDZPBSA-N 0 0 449.938 3.964 50 0 IHAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000026794668 568916903 /nfs/dbraw/zinc/91/69/03/568916903.db2.gz QNGJIVIUCZXPIJ-UHFFFAOYSA-N 0 0 432.524 3.983 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1C ZINC000248141547 568918985 /nfs/dbraw/zinc/91/89/85/568918985.db2.gz FONMBQOIDBZWCY-TXNPELCJSA-N 0 0 449.938 3.696 50 0 IHAARN COc1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccco3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000248134774 568919029 /nfs/dbraw/zinc/91/90/29/568919029.db2.gz MERCIVODUDVRBD-WBADGQHESA-N 0 0 440.455 3.687 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917037 568922623 /nfs/dbraw/zinc/92/26/23/568922623.db2.gz FIQFOYGHGHIAJW-LJQANCHMSA-N 0 0 442.899 3.841 50 0 IHAARN C[C@H]1S[C@@]2(c3ccccc3NC2=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O ZINC000016608210 568925341 /nfs/dbraw/zinc/92/53/41/568925341.db2.gz GVQWJQUIHKMDJM-PUAOIOHZSA-N 0 0 443.528 3.890 50 0 IHAARN Oc1ccccc1CN=Nc1nc(Nc2cccc3ccccc32)nc(N2CCOCC2)n1 ZINC000252621770 568926219 /nfs/dbraw/zinc/92/62/19/568926219.db2.gz NGIXYJJXNKJPAS-UHFFFAOYSA-N 0 0 441.495 3.757 50 0 IHAARN CCC(=O)N1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064450834 568928917 /nfs/dbraw/zinc/92/89/17/568928917.db2.gz UZRFNJQSFDUNAE-UHFFFAOYSA-N 0 0 430.553 3.866 50 0 IHAARN COc1ccc(CCC(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1 ZINC000064566330 568933162 /nfs/dbraw/zinc/93/31/62/568933162.db2.gz MABUYBOFDOGPRQ-UHFFFAOYSA-N 0 0 443.507 3.663 50 0 IHAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3ccc(C)c(Cl)c3)CC2)nc2cccnc21 ZINC000064579182 568934277 /nfs/dbraw/zinc/93/42/77/568934277.db2.gz MYUZZSWTNGMTAN-UHFFFAOYSA-N 0 0 440.935 3.564 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000064580484 568934555 /nfs/dbraw/zinc/93/45/55/568934555.db2.gz YZIRESNIRUQBSR-UHFFFAOYSA-N 0 0 437.565 3.699 50 0 IHAARN CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4cccc(Cl)c4)sc3n2)cc1 ZINC000064588638 568934660 /nfs/dbraw/zinc/93/46/60/568934660.db2.gz HAIBLTYTJDSWAZ-UHFFFAOYSA-N 0 0 440.912 3.800 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000064592983 568935635 /nfs/dbraw/zinc/93/56/35/568935635.db2.gz OBSJAXDWVQYSQF-UHFFFAOYSA-N 0 0 443.891 3.712 50 0 IHAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1cc(F)ccc1F ZINC000064593504 568935934 /nfs/dbraw/zinc/93/59/34/568935934.db2.gz UCTGKXYVKUQFTA-QGZVFWFLSA-N 0 0 441.463 3.668 50 0 IHAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cccc(Cl)c4C)ccn23)cc1 ZINC000064593730 568935984 /nfs/dbraw/zinc/93/59/84/568935984.db2.gz NGANKHAUEPCMCF-UHFFFAOYSA-N 0 0 440.912 3.826 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C2CC2)n1 ZINC000016680275 568937614 /nfs/dbraw/zinc/93/76/14/568937614.db2.gz FIQWURDIJJJHAV-UHFFFAOYSA-N 0 0 447.524 3.543 50 0 IHAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000016684589 568937840 /nfs/dbraw/zinc/93/78/40/568937840.db2.gz KWXDMOZBJXATJY-UHFFFAOYSA-N 0 0 428.444 3.903 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccccc1F ZINC000016689873 568938353 /nfs/dbraw/zinc/93/83/53/568938353.db2.gz CTKUSTYJMVFUKN-HXUWFJFHSA-N 0 0 434.467 3.602 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000004542489 568940088 /nfs/dbraw/zinc/94/00/88/568940088.db2.gz IVIZFPPZXFBPMZ-BJESRGMDSA-N 0 0 439.446 3.587 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1nc2c(s1)CCCC2)C(F)(F)F ZINC000002050300 568940821 /nfs/dbraw/zinc/94/08/21/568940821.db2.gz HBTACSFDLYDDGM-QGZVFWFLSA-N 0 0 447.866 3.949 50 0 IHAARN COc1ccc(CN(C(=O)COC(=O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000027081502 568941598 /nfs/dbraw/zinc/94/15/98/568941598.db2.gz XCBUWBUHJPJJPI-UHFFFAOYSA-N 0 0 448.313 3.571 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)NC(C)C)CC3)c12 ZINC000036000481 568941846 /nfs/dbraw/zinc/94/18/46/568941846.db2.gz HASCUECKGSVAIC-UHFFFAOYSA-N 0 0 441.967 3.716 50 0 IHAARN COc1ccc(-c2nc3sc(N(C)CC(=O)NC(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064703525 568944440 /nfs/dbraw/zinc/94/44/40/568944440.db2.gz WRJZWISGSAVRPM-UHFFFAOYSA-N 0 0 430.578 3.638 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036083709 568947396 /nfs/dbraw/zinc/94/73/96/568947396.db2.gz LCOFDHCZJAUDOT-HXUWFJFHSA-N 0 0 430.888 3.941 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3nnn(Cc4cccc(F)c4)c3-n3cccc3)CC2)cc1 ZINC000064744071 568948767 /nfs/dbraw/zinc/94/87/67/568948767.db2.gz OVPNUEWNSDWXJW-UHFFFAOYSA-N 0 0 444.514 3.527 50 0 IHAARN O=C(NCc1cccc(Br)c1)c1nnn(Cc2ccccc2)c1-n1cccc1 ZINC000064744089 568948784 /nfs/dbraw/zinc/94/87/84/568948784.db2.gz KVYVCXBQJBSQGX-UHFFFAOYSA-N 0 0 436.313 3.810 50 0 IHAARN O=C(CCn1cnc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc21)Nc1ccccc1 ZINC000064748054 568950620 /nfs/dbraw/zinc/95/06/20/568950620.db2.gz RXFGEABZOGLFNN-UHFFFAOYSA-N 0 0 442.475 3.724 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NC2CCN(c3ccc(N4CCSCC4)nn3)CC2)cc1 ZINC000064757117 568951436 /nfs/dbraw/zinc/95/14/36/568951436.db2.gz PRELCJWRYREJKA-UHFFFAOYSA-N 0 0 439.629 3.726 50 0 IHAARN Cc1cn2c(nc(COc3ccc(NC(=O)COc4ccc(F)cc4)cc3)cc2=O)s1 ZINC000064775701 568954696 /nfs/dbraw/zinc/95/46/96/568954696.db2.gz ATSBSNZHFUMSAU-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C1CC1 ZINC000036117867 568955947 /nfs/dbraw/zinc/95/59/47/568955947.db2.gz ZIQNMMJYNYILFT-SFHVURJKSA-N 0 0 428.554 3.663 50 0 IHAARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4/C=C/c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787567 568956288 /nfs/dbraw/zinc/95/62/88/568956288.db2.gz LLJBTPIEMSEDAK-IXDOJHRFSA-N 0 0 427.504 3.799 50 0 IHAARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4/C=C/c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000064787565 568956312 /nfs/dbraw/zinc/95/63/12/568956312.db2.gz LLJBTPIEMSEDAK-RDPWEWGOSA-N 0 0 427.504 3.799 50 0 IHAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(OC)cc4OC)c(=O)n23)c1 ZINC000064787948 568956320 /nfs/dbraw/zinc/95/63/20/568956320.db2.gz FFJPOPPBFHZOFU-UHFFFAOYSA-N 0 0 437.477 3.701 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(C(C)=O)c4)c(=O)n23)c1 ZINC000064788077 568956446 /nfs/dbraw/zinc/95/64/46/568956446.db2.gz XTWVOFFDLUTTIT-UHFFFAOYSA-N 0 0 449.488 3.895 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C1CC1 ZINC000036122684 568958127 /nfs/dbraw/zinc/95/81/27/568958127.db2.gz AESKQALHVVXHNH-FQEVSTJZSA-N 0 0 427.570 3.837 50 0 IHAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc(N2CCOCC2)n1 ZINC000064801599 568961479 /nfs/dbraw/zinc/96/14/79/568961479.db2.gz NFNSLZCATKDXJI-UHFFFAOYSA-N 0 0 448.483 3.738 50 0 IHAARN COc1cccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146495 568962784 /nfs/dbraw/zinc/96/27/84/568962784.db2.gz JPJKNEIDNDKGRE-GMAHTHKFSA-N 0 0 426.557 3.866 50 0 IHAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036150687 568964033 /nfs/dbraw/zinc/96/40/33/568964033.db2.gz UDFLHMPJLOIUFU-UHFFFAOYSA-N 0 0 439.487 3.606 50 0 IHAARN CCn1nc(C)c2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccco3)c(=O)c21 ZINC000064817463 568964753 /nfs/dbraw/zinc/96/47/53/568964753.db2.gz XNCCIOYQEMJDGU-UHFFFAOYSA-N 0 0 437.525 3.602 50 0 IHAARN CC(C)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccccc1 ZINC000036156674 568965351 /nfs/dbraw/zinc/96/53/51/568965351.db2.gz SFNRZUGLPGEAFI-SFHVURJKSA-N 0 0 441.597 3.652 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)o1 ZINC000064819383 568966231 /nfs/dbraw/zinc/96/62/31/568966231.db2.gz MBWJGLJGDMZGHP-UHFFFAOYSA-N 0 0 428.492 3.817 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000064835613 568968993 /nfs/dbraw/zinc/96/89/93/568968993.db2.gz GOEATUVONDSXLU-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN COc1ccc(OC)c(NC(=O)N(C)CCc2noc(COc3ccccc3F)n2)c1 ZINC000064840396 568969914 /nfs/dbraw/zinc/96/99/14/568969914.db2.gz FXEMORSIJMLGPB-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccccc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838444 568970093 /nfs/dbraw/zinc/97/00/93/568970093.db2.gz JRLAPQCSLCYQCH-UHFFFAOYSA-N 0 0 430.913 3.590 50 0 IHAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2ccc(C(C)C)cc2)no1 ZINC000064841734 568970422 /nfs/dbraw/zinc/97/04/22/568970422.db2.gz DBPZIWCEZYDGLP-UHFFFAOYSA-N 0 0 429.542 3.944 50 0 IHAARN Cc1cc(C)cc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)cc(C)c3)no2)c1 ZINC000064841894 568970565 /nfs/dbraw/zinc/97/05/65/568970565.db2.gz GOBOYXDIYWCBGD-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)CCc2noc(COc3ccccc3F)n2)c(C)c1 ZINC000064841902 568970594 /nfs/dbraw/zinc/97/05/94/568970594.db2.gz GWUAMQDOHDOXGH-UHFFFAOYSA-N 0 0 433.505 3.576 50 0 IHAARN CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000064841919 568970719 /nfs/dbraw/zinc/97/07/19/568970719.db2.gz BODMUICVRRCOSQ-UHFFFAOYSA-N 0 0 447.532 3.948 50 0 IHAARN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3cccc(OC)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842762 568971063 /nfs/dbraw/zinc/97/10/63/568971063.db2.gz RLNQOAUUAJHAQC-ZDUSSCGKSA-N 0 0 434.452 3.577 50 0 IHAARN Cc1sc2nc(CN(CCC(C)C)C[C@@H](O)COCc3ccco3)[nH]c(=O)c2c1C ZINC000036207049 568973193 /nfs/dbraw/zinc/97/31/93/568973193.db2.gz ABIDYYLAKOBSRH-QGZVFWFLSA-N 0 0 433.574 3.620 50 0 IHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208451 568973380 /nfs/dbraw/zinc/97/33/80/568973380.db2.gz DWDGXKCNGANBFV-IERDGZPVSA-N 0 0 433.568 3.514 50 0 IHAARN COc1ccc(NC(=O)c2c(C)c(S(=O)(=O)N3CCc4ccccc43)c(C)n2C)cc1 ZINC000064865963 568974262 /nfs/dbraw/zinc/97/42/62/568974262.db2.gz KURJRLNUIOEMFO-UHFFFAOYSA-N 0 0 439.537 3.654 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N1c2ccccc2C[C@H]1C ZINC000064866655 568974645 /nfs/dbraw/zinc/97/46/45/568974645.db2.gz GUZYYZOFSXSTON-MRXNPFEDSA-N 0 0 440.521 3.800 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(C)c2)c2cc(C)c(C)cc2N1 ZINC000064869364 568975892 /nfs/dbraw/zinc/97/58/92/568975892.db2.gz SHLKRXTWDHZXOM-UHFFFAOYSA-N 0 0 439.487 3.985 50 0 IHAARN CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036212284 568975960 /nfs/dbraw/zinc/97/59/60/568975960.db2.gz HHXFPNSXNRFVCW-LJQANCHMSA-N 0 0 447.988 3.579 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2N1 ZINC000064869449 568976072 /nfs/dbraw/zinc/97/60/72/568976072.db2.gz XJVDTDKYUZCSPT-UHFFFAOYSA-N 0 0 447.413 3.940 50 0 IHAARN Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCCC2)CC1 ZINC000036212393 568976221 /nfs/dbraw/zinc/97/62/21/568976221.db2.gz QMRAYTOKTYRLLM-XMMPIXPASA-N 0 0 447.579 3.658 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036212787 568976609 /nfs/dbraw/zinc/97/66/09/568976609.db2.gz OKXOZTPOCAEJPU-XMMPIXPASA-N 0 0 447.579 3.658 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036212639 568976633 /nfs/dbraw/zinc/97/66/33/568976633.db2.gz ZSYDHZIHWVOGNC-WMZHIEFXSA-N 0 0 435.568 3.561 50 0 IHAARN CCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NCC2CC2)c1 ZINC000036219185 568977735 /nfs/dbraw/zinc/97/77/35/568977735.db2.gz HDEUROJLLPMJNP-XZOQPEGZSA-N 0 0 435.524 3.932 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000064871916 568977918 /nfs/dbraw/zinc/97/79/18/568977918.db2.gz ZKJRRFLKZQLPQY-UHFFFAOYSA-N 0 0 444.534 3.921 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)c(OC)c1 ZINC000064872600 568978062 /nfs/dbraw/zinc/97/80/62/568978062.db2.gz RIPFINPBDQZKPE-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000064889099 568980241 /nfs/dbraw/zinc/98/02/41/568980241.db2.gz ZMPKQRKFMJDLKO-UHFFFAOYSA-N 0 0 446.960 3.893 50 0 IHAARN COc1ccccc1/C=C/C(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889495 568980396 /nfs/dbraw/zinc/98/03/96/568980396.db2.gz CGYOQEDBULBAMM-JLHYYAGUSA-N 0 0 430.508 3.985 50 0 IHAARN CC(C)Cn1c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890931 568980952 /nfs/dbraw/zinc/98/09/52/568980952.db2.gz GCCWWKJHXKSULJ-UHFFFAOYSA-N 0 0 441.285 3.825 50 0 IHAARN CCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)cc2nc(C)c1=O ZINC000064890322 568981307 /nfs/dbraw/zinc/98/13/07/568981307.db2.gz JIDPIVZBRUYLGU-SFHVURJKSA-N 0 0 443.507 3.912 50 0 IHAARN CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)NC(C)C ZINC000036249639 568983607 /nfs/dbraw/zinc/98/36/07/568983607.db2.gz TVONVVSDKGOUSE-UHFFFAOYSA-N 0 0 431.556 3.809 50 0 IHAARN C=C1C(NCCCN(CC)c2cccc(C)c2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000006780347 568984250 /nfs/dbraw/zinc/98/42/50/568984250.db2.gz QCJHGLWTZUSMPF-UHFFFAOYSA-N 0 0 427.570 3.983 50 0 IHAARN O=C(NCC1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255145 568984940 /nfs/dbraw/zinc/98/49/40/568984940.db2.gz YMFHACJJJTZOOA-HSZRJFAPSA-N 0 0 429.580 3.839 50 0 IHAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCc3ccccc3F)C3CCCC3)CC2)cc1 ZINC000036255451 568985042 /nfs/dbraw/zinc/98/50/42/568985042.db2.gz MMTMAPLMNYIALS-DEOSSOPVSA-N 0 0 437.559 3.767 50 0 IHAARN O=S(=O)(NCc1cccc(Br)c1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920378 568985429 /nfs/dbraw/zinc/98/54/29/568985429.db2.gz HEOPWOGRKXZYLC-UHFFFAOYSA-N 0 0 440.344 3.917 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(-c2cc(N(C)C)ncn2)c1C ZINC000064925244 568986435 /nfs/dbraw/zinc/98/64/35/568986435.db2.gz DMFJYFPIVKGLML-UHFFFAOYSA-N 0 0 428.924 3.578 50 0 IHAARN Cc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4)CC3)ccc2=O)cc1Cl ZINC000064927751 568986775 /nfs/dbraw/zinc/98/67/75/568986775.db2.gz RXYBKKPJGUUSIC-UHFFFAOYSA-N 0 0 436.943 3.727 50 0 IHAARN CC1(C(=O)NCc2ccccc2)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000064928101 568987465 /nfs/dbraw/zinc/98/74/65/568987465.db2.gz IECDLXGLCFUSBM-UHFFFAOYSA-N 0 0 440.487 3.813 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCc2ccco2)cc1 ZINC000064928170 568987498 /nfs/dbraw/zinc/98/74/98/568987498.db2.gz REQGVRVPNJVNAT-HSZRJFAPSA-N 0 0 438.549 3.625 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1C ZINC000064929237 568988136 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ZINC000036341436 569079315 /nfs/dbraw/zinc/07/93/15/569079315.db2.gz MWIFPGUJNJAXGY-JOCHJYFZSA-N 0 0 437.540 3.876 50 0 IHAARN Cc1ccc(C)c([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC3(CC2)OCCO3)c1 ZINC000036342687 569079503 /nfs/dbraw/zinc/07/95/03/569079503.db2.gz VGMODMQKDOGVBT-XMMPIXPASA-N 0 0 433.552 3.820 50 0 IHAARN Cc1ccc(NC(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)N3CCCCC3)CC2)cc1 ZINC000036347191 569081744 /nfs/dbraw/zinc/08/17/44/569081744.db2.gz IJKLRBQVPYOFSC-HSZRJFAPSA-N 0 0 442.604 3.782 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985381 569081970 /nfs/dbraw/zinc/08/19/70/569081970.db2.gz VMINCMQNBJQVIK-NRFANRHFSA-N 0 0 442.924 3.613 50 0 IHAARN CCC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986199 569081994 /nfs/dbraw/zinc/08/19/94/569081994.db2.gz KEQTXUYEFOUTME-MGPUTAFESA-N 0 0 436.961 3.910 50 0 IHAARN COc1cc2c(cc1CNC(=O)Cn1c3ccccc3nc1C(F)(F)F)OCCCO2 ZINC000064987107 569082571 /nfs/dbraw/zinc/08/25/71/569082571.db2.gz 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CN1C=C(C(=O)N2CCCC2)C(=O)C1c1nc2cc(NC(=O)c3cccs3)ccc2n1C ZINC000036365226 569086812 /nfs/dbraw/zinc/08/68/12/569086812.db2.gz SGUOMJKVHIUBBZ-UHFFFAOYSA-N 0 0 449.536 3.834 50 0 IHAARN COc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000065007482 569087605 /nfs/dbraw/zinc/08/76/05/569087605.db2.gz XDYASCWRAFCRKX-UHFFFAOYSA-N 0 0 436.961 3.569 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000065007174 569087620 /nfs/dbraw/zinc/08/76/20/569087620.db2.gz KBGFQCDISMIXLI-UHFFFAOYSA-N 0 0 444.572 3.925 50 0 IHAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021155 569088672 /nfs/dbraw/zinc/08/86/72/569088672.db2.gz DRMSVJUSEYMCMU-UHFFFAOYSA-N 0 0 430.570 3.844 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c2cc(OC)ccc2n1 ZINC000065033180 569091742 /nfs/dbraw/zinc/09/17/42/569091742.db2.gz CSXOEDQPJNHUKI-UHFFFAOYSA-N 0 0 430.844 3.710 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000065035605 569092262 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ZINC000036395461 569098706 /nfs/dbraw/zinc/09/87/06/569098706.db2.gz BNRIPZSNQUTFKF-UHFFFAOYSA-N 0 0 447.535 3.735 50 0 IHAARN COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCCCCC2)no1 ZINC000065076117 569099959 /nfs/dbraw/zinc/09/99/59/569099959.db2.gz CMMWCCKLIALOCU-UHFFFAOYSA-N 0 0 446.511 3.950 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000065078371 569100489 /nfs/dbraw/zinc/10/04/89/569100489.db2.gz JYFNPLFTNDHYSV-AWEZNQCLSA-N 0 0 448.566 3.568 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078393 569100505 /nfs/dbraw/zinc/10/05/05/569100505.db2.gz COJKOXGLVYRJSV-CYBMUJFWSA-N 0 0 436.530 3.617 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000065078233 569100558 /nfs/dbraw/zinc/10/05/58/569100558.db2.gz PQDMKLXFWNIJSN-AWEZNQCLSA-N 0 0 448.566 3.568 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000065078198 569100828 /nfs/dbraw/zinc/10/08/28/569100828.db2.gz PRJGOXHWPZJJLZ-OAHLLOKOSA-N 0 0 432.567 3.786 50 0 IHAARN CCCCNC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)C1 ZINC000065080649 569101120 /nfs/dbraw/zinc/10/11/20/569101120.db2.gz RYUYGFBAZQTNME-MRXNPFEDSA-N 0 0 427.574 3.932 50 0 IHAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(Br)c1)CCCCC3 ZINC000169778351 569102615 /nfs/dbraw/zinc/10/26/15/569102615.db2.gz VRJDEWNUVGKPJT-UHFFFAOYSA-N 0 0 429.318 3.634 50 0 IHAARN O=C(c1cccc2[nH]ccc21)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778074 569102648 /nfs/dbraw/zinc/10/26/48/569102648.db2.gz VDTUATBFRWUXNF-MRXNPFEDSA-N 0 0 425.452 3.564 50 0 IHAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 ZINC000169777524 569102868 /nfs/dbraw/zinc/10/28/68/569102868.db2.gz WQKMORDULWKPFH-UHFFFAOYSA-N 0 0 448.405 3.581 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780467 569103010 /nfs/dbraw/zinc/10/30/10/569103010.db2.gz SWGXZGOGKLGMBT-XMMPIXPASA-N 0 0 432.568 3.831 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3sc(N4CCCC4=O)nc3C(C)C)CC2)c1C ZINC000065086400 569103339 /nfs/dbraw/zinc/10/33/39/569103339.db2.gz HJWQQEOXQMCRAO-UHFFFAOYSA-N 0 0 426.586 3.973 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)c1 ZINC000065096418 569103531 /nfs/dbraw/zinc/10/35/31/569103531.db2.gz IVCOZGFGIKBDKV-UHFFFAOYSA-N 0 0 447.476 3.879 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3nc(-c4ccc(F)cc4)no3)n2C)cc1F ZINC000065099814 569104785 /nfs/dbraw/zinc/10/47/85/569104785.db2.gz LGFIXYGTMAXDNK-UHFFFAOYSA-N 0 0 442.451 3.850 50 0 IHAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099490 569105197 /nfs/dbraw/zinc/10/51/97/569105197.db2.gz HZICXZYNBSDVSW-UHFFFAOYSA-N 0 0 432.553 3.774 50 0 IHAARN CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000065101645 569105912 /nfs/dbraw/zinc/10/59/12/569105912.db2.gz QBKUOIKICMDJHJ-UHFFFAOYSA-N 0 0 448.567 3.863 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000065116024 569107135 /nfs/dbraw/zinc/10/71/35/569107135.db2.gz SNNIUEUUOWQZKQ-CQSZACIVSA-N 0 0 443.525 3.699 50 0 IHAARN Cc1nc(-c2csc(S(=O)(=O)N3CCCCCC3)c2)sc1C(=O)N1CCCC1 ZINC000065116902 569107489 /nfs/dbraw/zinc/10/74/89/569107489.db2.gz JRWOBOKQZWACFL-UHFFFAOYSA-N 0 0 439.628 3.981 50 0 IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ncn3n2)c1 ZINC000065112683 569108177 /nfs/dbraw/zinc/10/81/77/569108177.db2.gz PKFZXGRCXOTYIE-UHFFFAOYSA-N 0 0 432.871 3.927 50 0 IHAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)o1 ZINC000065117872 569108797 /nfs/dbraw/zinc/10/87/97/569108797.db2.gz MXEUAYOTYYOKRZ-UHFFFAOYSA-N 0 0 437.447 3.737 50 0 IHAARN COc1cccc(CNC(=O)c2nsc(C(=O)N3CC=C(c4ccccc4)CC3)c2N)c1 ZINC000065118391 569109062 /nfs/dbraw/zinc/10/90/62/569109062.db2.gz UUZISTQLOMJPSP-UHFFFAOYSA-N 0 0 448.548 3.593 50 0 IHAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)NCc1ccc2c(c1)OCO2 ZINC000065133128 569109894 /nfs/dbraw/zinc/10/98/94/569109894.db2.gz LLDXILRZISYJAF-UHFFFAOYSA-N 0 0 442.928 3.879 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000065138411 569110682 /nfs/dbraw/zinc/11/06/82/569110682.db2.gz RMGAXTOMYUHEKH-UHFFFAOYSA-N 0 0 438.553 3.585 50 0 IHAARN Cc1cccc(N(Cc2ccccc2)C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000036442661 569111205 /nfs/dbraw/zinc/11/12/05/569111205.db2.gz WYGUBVNJQQOMJJ-UHFFFAOYSA-N 0 0 426.520 3.897 50 0 IHAARN Cc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)nc23)c1C ZINC000065150715 569111245 /nfs/dbraw/zinc/11/12/45/569111245.db2.gz PNSGKMQCCJIEFT-UHFFFAOYSA-N 0 0 437.887 3.901 50 0 IHAARN Cc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000006943243 569111860 /nfs/dbraw/zinc/11/18/60/569111860.db2.gz FQQBXLRYFVFBRC-UHFFFAOYSA-N 0 0 428.598 3.747 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3cccc(C)c3)CC2)cc1 ZINC000006943249 569111962 /nfs/dbraw/zinc/11/19/62/569111962.db2.gz JXDNIYXJFUEONP-UHFFFAOYSA-N 0 0 428.598 3.747 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1 ZINC000065166213 569112559 /nfs/dbraw/zinc/11/25/59/569112559.db2.gz ZMFHLXALDGXLSD-UHFFFAOYSA-N 0 0 431.895 3.594 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@@H]1C ZINC000036476365 569113104 /nfs/dbraw/zinc/11/31/04/569113104.db2.gz WBDQSMOUSQSXQC-VKGYTVAMSA-N 0 0 436.552 3.512 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1F ZINC000065179123 569113363 /nfs/dbraw/zinc/11/33/63/569113363.db2.gz XEWYFFINEBTNCA-LJQANCHMSA-N 0 0 440.515 3.538 50 0 IHAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCOCC1 ZINC000065179190 569113558 /nfs/dbraw/zinc/11/35/58/569113558.db2.gz XILLLTXUHZEYKZ-SFHVURJKSA-N 0 0 442.943 3.744 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc(F)c(F)c4)CC3)n2)cc1 ZINC000065184187 569114000 /nfs/dbraw/zinc/11/40/00/569114000.db2.gz UFCIIDFKORETDI-UHFFFAOYSA-N 0 0 428.439 3.842 50 0 IHAARN CCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199022 569115075 /nfs/dbraw/zinc/11/50/75/569115075.db2.gz FVTLONNBSAGBIP-UHFFFAOYSA-N 0 0 440.500 3.971 50 0 IHAARN CC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(C(F)(F)F)cc4)CC3=O)ccc21 ZINC000065195186 569115311 /nfs/dbraw/zinc/11/53/11/569115311.db2.gz PVPPLHAXESLHOB-OAHLLOKOSA-N 0 0 431.414 3.606 50 0 IHAARN CC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccccc4C(F)(F)F)CC3=O)ccc21 ZINC000065195072 569115350 /nfs/dbraw/zinc/11/53/50/569115350.db2.gz OXFPBMCZYZNCMU-OAHLLOKOSA-N 0 0 431.414 3.606 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1 ZINC000065209341 569116100 /nfs/dbraw/zinc/11/61/00/569116100.db2.gz KHNCBNMLQQWIIS-IBGZPJMESA-N 0 0 442.972 3.919 50 0 IHAARN O=C(c1ccc2c(c1)CC(=O)N2Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065210769 569116322 /nfs/dbraw/zinc/11/63/22/569116322.db2.gz WPXHUFBMWKGGTA-UHFFFAOYSA-N 0 0 429.495 3.877 50 0 IHAARN CCc1nc(-c2cccnc2SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)no1 ZINC000065211208 569116474 /nfs/dbraw/zinc/11/64/74/569116474.db2.gz HGDJUYACRRISGK-UHFFFAOYSA-N 0 0 443.960 3.788 50 0 IHAARN O=C(NCCc1ccccn1)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209874 569116562 /nfs/dbraw/zinc/11/65/62/569116562.db2.gz LCKVMNJXBHQPOH-UHFFFAOYSA-N 0 0 440.507 3.502 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)cc1 ZINC000065217303 569117078 /nfs/dbraw/zinc/11/70/78/569117078.db2.gz UJBOCIKOVLTILG-UHFFFAOYSA-N 0 0 428.539 3.643 50 0 IHAARN CCc1nn2c(CNS(=O)(=O)c3ccc4c(c3)CCC4)c(-c3ccccc3)nc2s1 ZINC000065217418 569117162 /nfs/dbraw/zinc/11/71/62/569117162.db2.gz DMIKESXGUKOYLQ-UHFFFAOYSA-N 0 0 438.578 3.987 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)Cc2cccc(F)c2)s1 ZINC000065217456 569117175 /nfs/dbraw/zinc/11/71/75/569117175.db2.gz KZAVSNFANJLCCP-UHFFFAOYSA-N 0 0 430.530 3.779 50 0 IHAARN COC(=O)c1sccc1NC(=O)N1CCCn2nc(-c3ccc(OC)cc3)cc2C1 ZINC000065225370 569117758 /nfs/dbraw/zinc/11/77/58/569117758.db2.gz FVVCHJOUEQUQBS-UHFFFAOYSA-N 0 0 426.498 3.845 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)o2)cc1 ZINC000065229728 569118277 /nfs/dbraw/zinc/11/82/77/569118277.db2.gz OYZAXSQUFMHQOQ-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN CC(C)[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000036575829 569118477 /nfs/dbraw/zinc/11/84/77/569118477.db2.gz CPBNLIHBFKCVBZ-UKILVPOCSA-N 0 0 430.548 3.809 50 0 IHAARN COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c(C)c1 ZINC000065232330 569118975 /nfs/dbraw/zinc/11/89/75/569118975.db2.gz YOPXIFIACGCBCR-UHFFFAOYSA-N 0 0 426.517 3.948 50 0 IHAARN COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3C)cc1OC ZINC000065235542 569119226 /nfs/dbraw/zinc/11/92/26/569119226.db2.gz NWHZWQZUYNOMBH-UHFFFAOYSA-N 0 0 444.919 3.561 50 0 biogenic IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC000036579857 569119603 /nfs/dbraw/zinc/11/96/03/569119603.db2.gz KHTZXSJJPXANJV-TZIWHRDSSA-N 0 0 438.915 3.505 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3ccoc3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239242 569120256 /nfs/dbraw/zinc/12/02/56/569120256.db2.gz HXSFLUKMIJZFJU-UHFFFAOYSA-N 0 0 441.553 3.770 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239287 569120381 /nfs/dbraw/zinc/12/03/81/569120381.db2.gz DLQFIGCXRQGQGU-UHFFFAOYSA-N 0 0 443.956 3.661 50 0 IHAARN C=C1C(N2CCCN(C(=O)[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239513 569120618 /nfs/dbraw/zinc/12/06/18/569120618.db2.gz ZOCJWVHPYOBHLQ-KRWDZBQOSA-N 0 0 431.602 3.863 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000036594051 569121288 /nfs/dbraw/zinc/12/12/88/569121288.db2.gz HXWKSCDWFYEPNF-IERDGZPVSA-N 0 0 447.564 3.943 50 0 IHAARN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(c4cccc(C)c4)CC3)C2)ncn1 ZINC000065245069 569121473 /nfs/dbraw/zinc/12/14/73/569121473.db2.gz AKXOEIXTDODMBV-NRFANRHFSA-N 0 0 436.604 3.562 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c(OC)c1 ZINC000065245246 569121589 /nfs/dbraw/zinc/12/15/89/569121589.db2.gz YNHGJMISGQSCGA-INIZCTEOSA-N 0 0 425.533 3.703 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)c2nc(-c3ccnc(N4CCC(C)CC4)c3)no2)CC1 ZINC000065246034 569121798 /nfs/dbraw/zinc/12/17/98/569121798.db2.gz RBKJAOCROOXNCE-UHFFFAOYSA-N 0 0 446.555 3.639 50 0 IHAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c12 ZINC000036616059 569122770 /nfs/dbraw/zinc/12/27/70/569122770.db2.gz ZCOHZTWDWWTCBL-UHFFFAOYSA-N 0 0 440.551 3.973 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)CCC2 ZINC000036614139 569124068 /nfs/dbraw/zinc/12/40/68/569124068.db2.gz FZVFHKJDKACDCO-UHFFFAOYSA-N 0 0 437.521 3.712 50 0 IHAARN CCn1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4cnn(CC)c4C)c32)n1 ZINC000036619086 569124668 /nfs/dbraw/zinc/12/46/68/569124668.db2.gz ZEBGUSYGEUUDJD-ZDUSSCGKSA-N 0 0 433.516 3.999 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259772 569124775 /nfs/dbraw/zinc/12/47/75/569124775.db2.gz XTYQPZMCTCLMQB-IBGZPJMESA-N 0 0 443.569 3.608 50 0 biogenic IHAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2N)c1 ZINC000013149574 569125769 /nfs/dbraw/zinc/12/57/69/569125769.db2.gz AHDBWDODUVBVLV-UHFFFAOYSA-N 0 0 437.569 3.684 50 0 IHAARN COc1cc([C@@H](CC(=O)NCCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731833 569126624 /nfs/dbraw/zinc/12/66/24/569126624.db2.gz MAXHIIIZXORFQC-LJQANCHMSA-N 0 0 437.492 3.639 50 0 biogenic IHAARN COc1cccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC2CCCC2)c1OC ZINC000065265883 569127254 /nfs/dbraw/zinc/12/72/54/569127254.db2.gz FIKMGWQYBBYKHL-AREMUKBSSA-N 0 0 448.567 3.654 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000524734180 569127491 /nfs/dbraw/zinc/12/74/91/569127491.db2.gz FUDWHBRHYYDKGZ-BTYIYWSLSA-N 0 0 433.512 3.662 50 0 IHAARN CC(C)n1cccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524734560 569127808 /nfs/dbraw/zinc/12/78/08/569127808.db2.gz QVMCWILZCKSCKC-DEOSSOPVSA-N 0 0 442.519 3.890 50 0 IHAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)c2cccc(OC)c2OC)C3)cc1OC ZINC000065270151 569127982 /nfs/dbraw/zinc/12/79/82/569127982.db2.gz VMCYTUPOPXBHFS-UHFFFAOYSA-N 0 0 437.496 3.631 50 0 IHAARN CCc1ccccc1S(=O)(=O)N1CCCn2nc(-c3ccc(OC)c(OC)c3)cc2C1 ZINC000065270356 569128010 /nfs/dbraw/zinc/12/80/10/569128010.db2.gz DVADAPBQQHMMPW-UHFFFAOYSA-N 0 0 441.553 3.724 50 0 IHAARN CCCNc1cc(N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)ncn1 ZINC000065274082 569128453 /nfs/dbraw/zinc/12/84/53/569128453.db2.gz DVQWFJPKMWVMNI-UHFFFAOYSA-N 0 0 425.533 3.705 50 0 IHAARN CCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272082 569128914 /nfs/dbraw/zinc/12/89/14/569128914.db2.gz GWQGEKPOOFPTTK-UHFFFAOYSA-N 0 0 435.597 3.739 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273152 569129349 /nfs/dbraw/zinc/12/93/49/569129349.db2.gz CTUAHPDPQGKRLZ-QGZVFWFLSA-N 0 0 440.565 3.914 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 ZINC000036640288 569130187 /nfs/dbraw/zinc/13/01/87/569130187.db2.gz UGUMCEASUBGHDT-HNNXBMFYSA-N 0 0 437.447 3.800 50 0 IHAARN Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065297347 569131744 /nfs/dbraw/zinc/13/17/44/569131744.db2.gz GJHFJEZHTILASS-UHFFFAOYSA-N 0 0 430.961 3.963 50 0 IHAARN Cc1cc2nn(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307881 569132631 /nfs/dbraw/zinc/13/26/31/569132631.db2.gz AXTDBXBONIMPRE-UHFFFAOYSA-N 0 0 434.475 3.646 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc(C)nc4csc(C)c43)CC2)cc1OC ZINC000065301538 569132804 /nfs/dbraw/zinc/13/28/04/569132804.db2.gz HCQWRDCYTYUSIL-UHFFFAOYSA-N 0 0 440.569 3.858 50 0 IHAARN Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)Nc1ccccc1 ZINC000065319127 569134711 /nfs/dbraw/zinc/13/47/11/569134711.db2.gz FJLCJMRNDGTTBM-UHFFFAOYSA-N 0 0 440.525 3.862 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314062 569135449 /nfs/dbraw/zinc/13/54/49/569135449.db2.gz LBQAFLUXHGMODF-FQEVSTJZSA-N 0 0 432.524 3.545 50 0 IHAARN CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000065314732 569135562 /nfs/dbraw/zinc/13/55/62/569135562.db2.gz KMQWCZJSKZMEQA-UHFFFAOYSA-N 0 0 449.576 3.640 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)CCCC2)c1 ZINC000065521977 569139138 /nfs/dbraw/zinc/13/91/38/569139138.db2.gz PGMVRMBGQWGFNO-QGZVFWFLSA-N 0 0 440.565 3.762 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1c2ccccc2C[C@H]1C ZINC000065533019 569139394 /nfs/dbraw/zinc/13/93/94/569139394.db2.gz OLBOUVOAMNQLAU-QGZVFWFLSA-N 0 0 444.601 3.539 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)cc2c1C ZINC000170593344 569141126 /nfs/dbraw/zinc/14/11/26/569141126.db2.gz ZTFQXOLGCOWGON-VWLOTQADSA-N 0 0 444.579 3.734 50 0 IHAARN Cn1c(=O)oc2cc(S(=O)(=O)Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000170593294 569141171 /nfs/dbraw/zinc/14/11/71/569141171.db2.gz ZWODPGIGNMAIJO-UHFFFAOYSA-N 0 0 441.305 3.937 50 0 IHAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC4(COC(=O)N4)CC3)cc12 ZINC000170594176 569141392 /nfs/dbraw/zinc/14/13/92/569141392.db2.gz ZLTJXQYKQKHLNY-UHFFFAOYSA-N 0 0 444.944 3.823 50 0 IHAARN COCCN(CCCNC(=O)c1csc(C(C)C)n1)C(=O)c1csc(C(C)C)n1 ZINC000170598430 569142463 /nfs/dbraw/zinc/14/24/63/569142463.db2.gz XDPAYQFTMIWZII-UHFFFAOYSA-N 0 0 438.619 3.755 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000170601280 569143110 /nfs/dbraw/zinc/14/31/10/569143110.db2.gz CGKSMNLAOPQYHD-WBMJQRKESA-N 0 0 427.339 3.976 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000170601278 569143127 /nfs/dbraw/zinc/14/31/27/569143127.db2.gz CGKSMNLAOPQYHD-MLGOLLRUSA-N 0 0 427.339 3.976 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000170602628 569143427 /nfs/dbraw/zinc/14/34/27/569143427.db2.gz XALVAMDBBMNBIP-UHFFFAOYSA-N 0 0 426.561 3.937 50 0 IHAARN CO[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)CC[C@@H]1C ZINC000170603464 569143567 /nfs/dbraw/zinc/14/35/67/569143567.db2.gz GKVOPNLZNXLSGD-HNAYVOBHSA-N 0 0 436.961 3.662 50 0 IHAARN Cn1ccc2c1cccc2C(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608630 569144878 /nfs/dbraw/zinc/14/48/78/569144878.db2.gz FSRHMXXJQWOWNX-IRLDBZIGSA-N 0 0 447.535 3.592 50 0 IHAARN CC(C)NC(=O)c1ccc(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)cc1 ZINC000170610253 569145085 /nfs/dbraw/zinc/14/50/85/569145085.db2.gz RFHQHAQHQDXZSV-UHFFFAOYSA-N 0 0 432.546 3.601 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)CC(C)C)CC2)cc1 ZINC000037276890 569145332 /nfs/dbraw/zinc/14/53/32/569145332.db2.gz YMVDRDXOZKACNG-UHFFFAOYSA-N 0 0 437.584 3.799 50 0 IHAARN COCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1 ZINC000037278635 569145419 /nfs/dbraw/zinc/14/54/19/569145419.db2.gz WFYZSWKFTBDFBZ-UHFFFAOYSA-N 0 0 439.512 3.685 50 0 IHAARN COc1cc2cc([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2c(OC)c1 ZINC000170612554 569146043 /nfs/dbraw/zinc/14/60/43/569146043.db2.gz OPQFHXSYHDQWFX-OAHLLOKOSA-N 0 0 435.889 3.609 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(Oc2cccc3cccnc32)cc1)C(=O)NC(C)(C)C ZINC000170613342 569146258 /nfs/dbraw/zinc/14/62/58/569146258.db2.gz FTVZXCOKTHMQPM-HNNXBMFYSA-N 0 0 427.526 3.609 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1cccc(Cl)n1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614379 569146374 /nfs/dbraw/zinc/14/63/74/569146374.db2.gz GSUHODJXUCGXTH-HXUWFJFHSA-N 0 0 426.904 3.631 50 0 IHAARN O=C(COc1ccnc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000170617543 569147485 /nfs/dbraw/zinc/14/74/85/569147485.db2.gz LEUVBAUETAQBGO-UHFFFAOYSA-N 0 0 431.296 3.717 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(OC)cc1Cl ZINC000170623912 569148381 /nfs/dbraw/zinc/14/83/81/569148381.db2.gz WOOBTKALOUJBNR-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN Cn1cc([C@H]2[C@H](C(=O)NCC3(c4cccc(Cl)c4)CCCC3)CCC(=O)N2C)cn1 ZINC000170627119 569148627 /nfs/dbraw/zinc/14/86/27/569148627.db2.gz AKXBIOIPDSJHIC-CTNGQTDRSA-N 0 0 428.964 3.611 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc2cc(Br)cnc2[nH]1 ZINC000170629753 569148851 /nfs/dbraw/zinc/14/88/51/569148851.db2.gz AWKQRTDEYKLINP-VXGBXAGGSA-N 0 0 437.338 3.609 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000009757777 569149001 /nfs/dbraw/zinc/14/90/01/569149001.db2.gz XGJKRSZQAWOYRH-OAQYLSRUSA-N 0 0 447.988 3.816 50 0 IHAARN CCCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(-n2nc(C)cc2C)n1 ZINC000009761576 569149069 /nfs/dbraw/zinc/14/90/69/569149069.db2.gz OCQQDRSXMFWUBX-UHFFFAOYSA-N 0 0 433.434 3.656 50 0 IHAARN COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000009955451 569151175 /nfs/dbraw/zinc/15/11/75/569151175.db2.gz DZCVZRYPCYHBDA-UHFFFAOYSA-N 0 0 438.505 3.546 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)[C@H](c3ccco3)C2)o1 ZINC000009955819 569151316 /nfs/dbraw/zinc/15/13/16/569151316.db2.gz QSSJRGRDYFIXCM-INIZCTEOSA-N 0 0 448.504 3.819 50 0 IHAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000010029449 569151956 /nfs/dbraw/zinc/15/19/56/569151956.db2.gz IGDIEEKFQNCSAG-UHFFFAOYSA-N 0 0 430.507 3.514 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000010220660 569152951 /nfs/dbraw/zinc/15/29/51/569152951.db2.gz XCMJUQGVPGGLPX-UHFFFAOYSA-N 0 0 427.507 3.962 50 0 IHAARN COc1ccccc1NC(=O)CSc1ccc(-c2cc(OC)c(OC)c(OC)c2)nn1 ZINC000010220843 569153035 /nfs/dbraw/zinc/15/30/35/569153035.db2.gz XAFIWLNXEYGMOV-UHFFFAOYSA-N 0 0 441.509 3.909 50 0 IHAARN O=C(Nc1ccc2ncsc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010217403 569153281 /nfs/dbraw/zinc/15/32/81/569153281.db2.gz ITGABHAXRZFKQT-LBPRGKRZSA-N 0 0 427.960 3.803 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 ZINC000013850375 569157276 /nfs/dbraw/zinc/15/72/76/569157276.db2.gz ZOTZUBRWBSSZDT-UHFFFAOYSA-N 0 0 430.551 3.807 50 0 IHAARN CCCN(Cn1nc(Nc2ccccc2OCC)sc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000014264617 569158407 /nfs/dbraw/zinc/15/84/07/569158407.db2.gz XFROSJBXRMNCOL-CQSZACIVSA-N 0 0 442.632 3.673 50 0 IHAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC1 ZINC000089661927 569160756 /nfs/dbraw/zinc/16/07/56/569160756.db2.gz BGPFSUWZKCDCLJ-UHFFFAOYSA-N 0 0 425.932 3.775 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000089661612 569160824 /nfs/dbraw/zinc/16/08/24/569160824.db2.gz GJDPJVMZPQAPOZ-IBGZPJMESA-N 0 0 446.569 3.576 50 0 IHAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)n1 ZINC000016839219 569162954 /nfs/dbraw/zinc/16/29/54/569162954.db2.gz MSVMBXTZEYSDBD-UHFFFAOYSA-N 0 0 445.508 3.566 50 0 IHAARN COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)cc1OC ZINC000016841968 569163357 /nfs/dbraw/zinc/16/33/57/569163357.db2.gz LJJYTMXYYCIZQK-UHFFFAOYSA-N 0 0 443.463 3.587 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)ccn3n2)cc1 ZINC000016842334 569163445 /nfs/dbraw/zinc/16/34/45/569163445.db2.gz MYXAMQWGAPAEDR-UHFFFAOYSA-N 0 0 427.464 3.832 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c1 ZINC000016843498 569163678 /nfs/dbraw/zinc/16/36/78/569163678.db2.gz COQIWOOPQRJSCY-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1 ZINC000016843722 569163691 /nfs/dbraw/zinc/16/36/91/569163691.db2.gz ZFUZCTXFTCISNC-UHFFFAOYSA-N 0 0 446.935 3.570 50 0 IHAARN Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n(-c2nc3ccccc3s2)n1 ZINC000016851032 569164884 /nfs/dbraw/zinc/16/48/84/569164884.db2.gz KJRZRASTMMHIET-UHFFFAOYSA-N 0 0 444.513 3.732 50 0 IHAARN CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 ZINC000016865101 569165134 /nfs/dbraw/zinc/16/51/34/569165134.db2.gz PUQDUTYRSYPOHZ-OAHLLOKOSA-N 0 0 426.542 3.958 50 0 IHAARN O=C1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)[C@H]2C=CC=C[C@H]2N1 ZINC000089851091 569166146 /nfs/dbraw/zinc/16/61/46/569166146.db2.gz QIFJOGLQNDMZEU-MOPGFXCFSA-N 0 0 433.309 3.859 50 0 IHAARN COc1cc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc(OC)c1OC ZINC000016943427 569166793 /nfs/dbraw/zinc/16/67/93/569166793.db2.gz ACFVEYGXCPLSFQ-UHFFFAOYSA-N 0 0 425.510 3.612 50 0 IHAARN COc1cc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)cc(OC)c1OC ZINC000016943423 569166799 /nfs/dbraw/zinc/16/67/99/569166799.db2.gz AQKNNPZAICDXOA-UHFFFAOYSA-N 0 0 443.500 3.751 50 0 IHAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000089904834 569167042 /nfs/dbraw/zinc/16/70/42/569167042.db2.gz IFEVOXKDMXJQPQ-RBUKOAKNSA-N 0 0 429.460 3.775 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2 ZINC000016973610 569168490 /nfs/dbraw/zinc/16/84/90/569168490.db2.gz BVQCJRPYKHKZRW-UHFFFAOYSA-N 0 0 439.562 3.679 50 0 IHAARN CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)nc1C ZINC000016991891 569169658 /nfs/dbraw/zinc/16/96/58/569169658.db2.gz GSSBGEPJBVKLJJ-BETUJISGSA-N 0 0 435.571 3.573 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)cc1OC ZINC000016991922 569169670 /nfs/dbraw/zinc/16/96/70/569169670.db2.gz QSCMLKNKEUIOCM-UHFFFAOYSA-N 0 0 443.500 3.572 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(F)c3)s2)cc1 ZINC000016992148 569169711 /nfs/dbraw/zinc/16/97/11/569169711.db2.gz HLAVPWNFLBRGKQ-UHFFFAOYSA-N 0 0 436.530 3.796 50 0 IHAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 ZINC000017056861 569171963 /nfs/dbraw/zinc/17/19/63/569171963.db2.gz LTPSFSITJKQBID-RPBOFIJWSA-N 0 0 427.548 3.684 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3cc4ccccc4oc3=O)n2n1 ZINC000017136122 569174524 /nfs/dbraw/zinc/17/45/24/569174524.db2.gz PVROALQYTIIVKJ-UHFFFAOYSA-N 0 0 430.489 3.845 50 0 IHAARN O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000017178438 569175561 /nfs/dbraw/zinc/17/55/61/569175561.db2.gz VDJAHUWHVQVWDP-FQEVSTJZSA-N 0 0 449.473 3.614 50 0 IHAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)NCCc1ccccc1 ZINC000017178936 569175628 /nfs/dbraw/zinc/17/56/28/569175628.db2.gz JZDLGFTWPHUKCY-UHFFFAOYSA-N 0 0 436.515 3.758 50 0 IHAARN CCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000002876019 569177602 /nfs/dbraw/zinc/17/76/02/569177602.db2.gz KNHPORXPZWRSCI-UHFFFAOYSA-N 0 0 429.476 3.787 50 0 IHAARN CCCCN1CC(=O)N2[C@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002107449 569181276 /nfs/dbraw/zinc/18/12/76/569181276.db2.gz HGHBFGPEVDBSSW-NBGIEHNGSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(OC(C)C)c(OC)c4)c(=O)n3n2)cc1 ZINC000025782292 569184485 /nfs/dbraw/zinc/18/44/85/569184485.db2.gz FVSCKAPIGMEFMG-DEDYPNTBSA-N 0 0 437.521 3.560 50 0 IHAARN COCCNc1nc2nn(-c3ccc(OC)cc3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037376731 569185595 /nfs/dbraw/zinc/18/55/95/569185595.db2.gz HTFBKKJADVUBDC-UHFFFAOYSA-N 0 0 442.882 3.924 50 0 IHAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@H]1CCCO1)nc2-c1cccc(F)c1F ZINC000037376097 569185612 /nfs/dbraw/zinc/18/56/12/569185612.db2.gz AKWAULWYDGCWRW-OAHLLOKOSA-N 0 0 436.466 3.993 50 0 IHAARN Nc1c2c(nn1Cc1ccccc1)nc(NC[C@@H]1CCCO1)nc2-c1cc(F)ccc1F ZINC000037377517 569185798 /nfs/dbraw/zinc/18/57/98/569185798.db2.gz NVZJKGQLOOXIGT-INIZCTEOSA-N 0 0 436.466 3.993 50 0 IHAARN CC(C)Oc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 ZINC000002533590 569185880 /nfs/dbraw/zinc/18/58/80/569185880.db2.gz IGENQOOPMAJFBC-NWGMWSOJSA-N 0 0 431.517 3.969 50 0 IHAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002149550 569187200 /nfs/dbraw/zinc/18/72/00/569187200.db2.gz DKHMMCFFLDOIKJ-IBGZPJMESA-N 0 0 443.521 3.771 50 0 biogenic IHAARN CCc1ccc(-c2nnc(N3CCN([C@@H](C)c4nccs4)CC3)n2CCCOC)cc1 ZINC000252494519 569187774 /nfs/dbraw/zinc/18/77/74/569187774.db2.gz NXUDDJNKMAHION-SFHVURJKSA-N 0 0 440.617 3.884 50 0 IHAARN CCO[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 ZINC000252516602 569189233 /nfs/dbraw/zinc/18/92/33/569189233.db2.gz UZWVKMVWWQKSCP-XMSQKQJNSA-N 0 0 430.570 3.757 50 0 IHAARN Cn1cc([C@@H](CC(=O)NCCN2CCOCC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000037381147 569191906 /nfs/dbraw/zinc/19/19/06/569191906.db2.gz CMUXOMPUPCOFSG-NRFANRHFSA-N 0 0 425.960 3.802 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C[C@H]3CCCO3)C(=O)C(C)C)c2)cc1 ZINC000037400538 569194946 /nfs/dbraw/zinc/19/49/46/569194946.db2.gz DBRDHGWYCGSEQF-OAQYLSRUSA-N 0 0 447.553 3.627 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](CC)n1c2cc(Cl)ccc2c(=O)n(-c2cccc(C)c2)c1=O ZINC000037403454 569194953 /nfs/dbraw/zinc/19/49/53/569194953.db2.gz CXUUBRSXRMMDEX-BEFAXECRSA-N 0 0 427.932 3.980 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(C(=O)Nc2ccccc2OC)C2CC2)ccc1OC ZINC000037401286 569195119 /nfs/dbraw/zinc/19/51/19/569195119.db2.gz MSNMQYVSKMTFQL-UHFFFAOYSA-N 0 0 434.514 3.629 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000037407991 569195261 /nfs/dbraw/zinc/19/52/61/569195261.db2.gz RQJJAKMMXJZCKL-UWJYYQICSA-N 0 0 432.973 3.935 50 0 IHAARN Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000037427862 569195927 /nfs/dbraw/zinc/19/59/27/569195927.db2.gz NIUPMPADWHJMER-VPSZGZHCSA-N 0 0 437.565 3.917 50 0 IHAARN CCCNC(=O)CCN(CCOC)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1 ZINC000037436274 569196079 /nfs/dbraw/zinc/19/60/79/569196079.db2.gz WNHSAHSRBSGKQR-UHFFFAOYSA-N 0 0 438.981 3.853 50 0 IHAARN COCCNC(=O)[C@H](C)n1c2ccc(C)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000037435838 569196145 /nfs/dbraw/zinc/19/61/45/569196145.db2.gz WMGSJJNTNUOUKK-CQEAMPFXSA-N 0 0 431.945 3.729 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3cccc(F)c3)c2c(=O)n(CCC(C)C)c1=O ZINC000037557586 569200673 /nfs/dbraw/zinc/20/06/73/569200673.db2.gz FDOBHBWBSBFSJS-UHFFFAOYSA-N 0 0 436.487 3.591 50 0 IHAARN COc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000037556904 569200724 /nfs/dbraw/zinc/20/07/24/569200724.db2.gz BSFYXYKVHQWRCN-UHFFFAOYSA-N 0 0 434.492 3.537 50 0 IHAARN CC(C)n1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccc(F)cc2F)c1=O ZINC000037559716 569200906 /nfs/dbraw/zinc/20/09/06/569200906.db2.gz CLAKZCCWJMMGHT-UHFFFAOYSA-N 0 0 432.377 3.535 50 0 IHAARN CC(C)(C)c1ccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn32)cc1 ZINC000002214599 569202950 /nfs/dbraw/zinc/20/29/50/569202950.db2.gz YONDCVIHJNVFPG-UHFFFAOYSA-N 0 0 431.521 3.989 50 0 IHAARN COc1ccc2c(c1)c(=O)c(Br)c(C)n2CC(=O)Nc1ccccc1OC ZINC000002225125 569205143 /nfs/dbraw/zinc/20/51/43/569205143.db2.gz PHAQEBSIKICGQK-UHFFFAOYSA-N 0 0 431.286 3.728 50 0 IHAARN O=c1c(=Cc2ccncc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252666202 569209591 /nfs/dbraw/zinc/20/95/91/569209591.db2.gz ATXHTPXZIHDDQC-QFIPXVFZSA-N 0 0 427.554 3.775 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3ncnc4c3ncn4-c3ccc(C)cc3C)CC2)cc1 ZINC000019928094 569257255 /nfs/dbraw/zinc/25/72/55/569257255.db2.gz KYEUMAVITIBKPU-UHFFFAOYSA-N 0 0 426.524 3.962 50 0 IHAARN C[C@@H](O)c1cc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000253417600 569266571 /nfs/dbraw/zinc/26/65/71/569266571.db2.gz BOXMOUNNWYFUOM-NWDGAFQWSA-N 0 0 444.322 3.690 50 0 IHAARN COCCCCN(C(=O)[C@H](C)OC[C@@H]1CCCCO1)c1ccc(Br)cn1 ZINC000253430876 569268507 /nfs/dbraw/zinc/26/85/07/569268507.db2.gz XWSVILGBEVRMLN-RDJZCZTQSA-N 0 0 429.355 3.578 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Br)c2)c(OC)c1 ZINC000027551351 569271985 /nfs/dbraw/zinc/27/19/85/569271985.db2.gz YNDYNEXYIVAJFS-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002309186 569272083 /nfs/dbraw/zinc/27/20/83/569272083.db2.gz GKAJONKWQXICNC-GOSISDBHSA-N 0 0 434.540 3.721 50 0 IHAARN CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000002333083 569274687 /nfs/dbraw/zinc/27/46/87/569274687.db2.gz VCNQYLMZFJVUCI-HXUWFJFHSA-N 0 0 441.450 3.594 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)c1 ZINC000002343479 569275289 /nfs/dbraw/zinc/27/52/89/569275289.db2.gz ZBDAUJGLOIOTSN-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1 ZINC000253499971 569283409 /nfs/dbraw/zinc/28/34/09/569283409.db2.gz SPCOYRJFXKKGPF-JZEHQLLISA-N 0 0 432.557 3.667 50 0 biogenic IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002377506 569289535 /nfs/dbraw/zinc/28/95/35/569289535.db2.gz HMZLCJODXXJYBF-DYESRHJHSA-N 0 0 433.460 3.612 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)C1 ZINC000008663754 569290000 /nfs/dbraw/zinc/29/00/00/569290000.db2.gz ZJOVOPTWEFSCSN-HNNXBMFYSA-N 0 0 442.566 3.878 50 0 IHAARN CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008873770 569291798 /nfs/dbraw/zinc/29/17/98/569291798.db2.gz LTWXYDRMEPGMLU-OEMFJLHTSA-N 0 0 426.472 3.730 50 0 IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F ZINC000009439461 569296285 /nfs/dbraw/zinc/29/62/85/569296285.db2.gz LQHSHVKSTFBRAH-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000002393478 569298116 /nfs/dbraw/zinc/29/81/16/569298116.db2.gz PPLYKDRTKZTMCZ-NYYWCZLTSA-N 0 0 432.958 3.699 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000009905707 569298403 /nfs/dbraw/zinc/29/84/03/569298403.db2.gz JUXQOHJSIQWXAU-ACCUITESSA-N 0 0 429.524 3.840 50 0 IHAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002407054 569300223 /nfs/dbraw/zinc/30/02/23/569300223.db2.gz YPYGXEZQTLACRU-IAGOWNOFSA-N 0 0 425.851 3.870 50 0 IHAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000002407887 569300375 /nfs/dbraw/zinc/30/03/75/569300375.db2.gz ZZEGYUHGFNNAND-RJGXRXQPSA-N 0 0 429.476 3.922 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000002431873 569303427 /nfs/dbraw/zinc/30/34/27/569303427.db2.gz NDSDHCVLOVYEIZ-UHFFFAOYSA-N 0 0 425.441 3.502 50 0 IHAARN COc1ccc(NC(=O)CCCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 ZINC000002432685 569303532 /nfs/dbraw/zinc/30/35/32/569303532.db2.gz DQIMGCACHZGWIA-UHFFFAOYSA-N 0 0 427.457 3.732 50 0 IHAARN COC(=O)C(C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1ccc(C)cc1C ZINC000002439909 569304026 /nfs/dbraw/zinc/30/40/26/569304026.db2.gz WRXVDLGAJSUFNI-KKSFZXQISA-N 0 0 442.508 3.885 50 0 IHAARN COCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002441600 569304161 /nfs/dbraw/zinc/30/41/61/569304161.db2.gz UACBERDWIUBHPY-KRWDZBQOSA-N 0 0 431.540 3.954 50 0 IHAARN CC(C)C(=O)N1CCN(C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000012942971 569305015 /nfs/dbraw/zinc/30/50/15/569305015.db2.gz OCKAJRYMVWZTRF-UHFFFAOYSA-N 0 0 437.584 3.782 50 0 IHAARN Cc1ccc(-c2csc3ncn(Cc4cccc(S(=O)(=O)N(C)C)c4)c(=O)c23)cc1 ZINC000013028835 569307347 /nfs/dbraw/zinc/30/73/47/569307347.db2.gz MVAXNEJYTLJDSK-UHFFFAOYSA-N 0 0 439.562 3.732 50 0 IHAARN COC(=O)c1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)cc1 ZINC000013027561 569307362 /nfs/dbraw/zinc/30/73/62/569307362.db2.gz ZVYCEMPBUGLTBP-ALOPSCKCSA-N 0 0 449.594 3.958 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(COC(=O)C(c1ccccc1)c1ccccc1)[nH]c2=O ZINC000013114614 569310715 /nfs/dbraw/zinc/31/07/15/569310715.db2.gz IUTAECSAVOYBSW-UHFFFAOYSA-N 0 0 428.444 3.585 50 0 IHAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000013114886 569310770 /nfs/dbraw/zinc/31/07/70/569310770.db2.gz VXJXVXNXPFGXMN-LJQANCHMSA-N 0 0 447.608 3.970 50 0 IHAARN COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000013149549 569312246 /nfs/dbraw/zinc/31/22/46/569312246.db2.gz MVZRBIWFRAODDQ-UHFFFAOYSA-N 0 0 440.924 3.844 50 0 IHAARN CCc1cc2c(ncn(NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)c2=O)s1 ZINC000013164265 569312412 /nfs/dbraw/zinc/31/24/12/569312412.db2.gz PBCBEFXLTQCSEL-UHFFFAOYSA-N 0 0 435.505 3.992 50 0 IHAARN Cc1nc(CNC(=O)C2CCN(C(=O)Nc3ccccc3Br)CC2)cs1 ZINC000013354456 569313472 /nfs/dbraw/zinc/31/34/72/569313472.db2.gz SCMLXJSYGJJNMQ-UHFFFAOYSA-N 0 0 437.363 3.774 50 0 IHAARN COCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355353 569313522 /nfs/dbraw/zinc/31/35/22/569313522.db2.gz DUIQCCOZBNROJF-UHFFFAOYSA-N 0 0 438.549 3.598 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)CC ZINC000013365870 569314246 /nfs/dbraw/zinc/31/42/46/569314246.db2.gz ZOAHYGKNZYOJGX-MRXNPFEDSA-N 0 0 444.553 3.575 50 0 IHAARN Cc1nn2c(nc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)cc2=O)s1 ZINC000013367915 569314476 /nfs/dbraw/zinc/31/44/76/569314476.db2.gz ZCAPMUXKHODWIO-UHFFFAOYSA-N 0 0 426.885 3.944 50 0 IHAARN COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)c1 ZINC000013368315 569314575 /nfs/dbraw/zinc/31/45/75/569314575.db2.gz FHRSBQLQOZELRD-UHFFFAOYSA-N 0 0 448.504 3.868 50 0 IHAARN O=C(CCCn1cncn1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000328591526 569316948 /nfs/dbraw/zinc/31/69/48/569316948.db2.gz UZENWRIUUIRTEJ-UHFFFAOYSA-N 0 0 439.947 3.640 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000078724188 569318539 /nfs/dbraw/zinc/31/85/39/569318539.db2.gz BCDUUNDFCVIXNP-UHFFFAOYSA-N 0 0 448.567 3.939 50 0 IHAARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000078719410 569318557 /nfs/dbraw/zinc/31/85/57/569318557.db2.gz HQQQFGIFNAFPNP-LTCLLZNKSA-N 0 0 430.499 3.884 50 0 IHAARN Cc1cc(Br)cc2c1N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)CCC2 ZINC000078752212 569318850 /nfs/dbraw/zinc/31/88/50/569318850.db2.gz WFSDTPXZHRKDFB-UHFFFAOYSA-N 0 0 430.346 3.851 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000078805988 569319161 /nfs/dbraw/zinc/31/91/61/569319161.db2.gz YRMNNDPZXCGEEG-FQEVSTJZSA-N 0 0 429.517 3.872 50 0 IHAARN CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000078969773 569320917 /nfs/dbraw/zinc/32/09/17/569320917.db2.gz VGPMBGLFJOPDLY-RDJZCZTQSA-N 0 0 427.364 3.892 50 0 IHAARN C[C@@H](Cc1nc2ccccc2s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000079023342 569322682 /nfs/dbraw/zinc/32/26/82/569322682.db2.gz HHRAQVJXNGUSAM-INIZCTEOSA-N 0 0 433.574 3.763 50 0 IHAARN COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079483344 569331002 /nfs/dbraw/zinc/33/10/02/569331002.db2.gz GEFLJGWIINQKOG-QFIPXVFZSA-N 0 0 426.557 3.941 50 0 IHAARN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000079492280 569331421 /nfs/dbraw/zinc/33/14/21/569331421.db2.gz JUOPBPDHURAODF-QFIPXVFZSA-N 0 0 429.524 3.564 50 0 IHAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)C[C@H](C)O1 ZINC000020069365 569333231 /nfs/dbraw/zinc/33/32/31/569333231.db2.gz LFLQULBWNBFXMO-HDICACEKSA-N 0 0 436.581 3.694 50 0 IHAARN COc1cccc(-n2cc(C(=O)NCCC(=O)NC3CCCCC3)c3ccccc3c2=O)c1 ZINC000020103119 569333985 /nfs/dbraw/zinc/33/39/85/569333985.db2.gz UWXDDGQCNQOHFN-UHFFFAOYSA-N 0 0 447.535 3.568 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)Nc3ccccc3F)cc12 ZINC000020135962 569335688 /nfs/dbraw/zinc/33/56/88/569335688.db2.gz HOPOIKFSFSLFFY-UHFFFAOYSA-N 0 0 436.487 3.876 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020137023 569335899 /nfs/dbraw/zinc/33/58/99/569335899.db2.gz XBYUOBZYKCMBKF-HXUWFJFHSA-N 0 0 428.579 3.957 50 0 IHAARN O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NC[C@@H]1CCCO1 ZINC000020180863 569355220 /nfs/dbraw/zinc/35/52/20/569355220.db2.gz ARGVSJCQZBNYOB-GNKPEBMXSA-N 0 0 430.863 3.541 50 0 IHAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(NC(C)=O)cc2)CC1 ZINC000020213598 569356443 /nfs/dbraw/zinc/35/64/43/569356443.db2.gz DQTHCOZBTLSJGE-JOCHJYFZSA-N 0 0 436.512 3.832 50 0 IHAARN CN(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)C1CCCCC1 ZINC000020215780 569356706 /nfs/dbraw/zinc/35/67/06/569356706.db2.gz RXNYULYWGUQDGG-OVKIHRCZSA-N 0 0 428.532 3.670 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccccc3Cl)c(C)o2)cc1 ZINC000020241444 569357880 /nfs/dbraw/zinc/35/78/80/569357880.db2.gz LFQBICHGFCRCEU-LJAQVGFWSA-N 0 0 432.929 3.877 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 ZINC000020241917 569358175 /nfs/dbraw/zinc/35/81/75/569358175.db2.gz FPYQCJFUHQMIOO-ZRGWGRIASA-N 0 0 434.558 3.514 50 0 IHAARN CCN1c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242951 569358341 /nfs/dbraw/zinc/35/83/41/569358341.db2.gz NWXCXAJEDDFJRT-IYBDPMFKSA-N 0 0 426.538 3.618 50 0 IHAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(CCCN1CCOCC1)C3=O ZINC000020308622 569359476 /nfs/dbraw/zinc/35/94/76/569359476.db2.gz PEOPDIWJUYGXEQ-JOCHJYFZSA-N 0 0 436.483 3.508 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc(C(C)C)cc1 ZINC000020322916 569360354 /nfs/dbraw/zinc/36/03/54/569360354.db2.gz DRVJMZJBDKWFTA-UHFFFAOYSA-N 0 0 434.606 3.518 50 0 IHAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCN1CCOCC1 ZINC000020355669 569361444 /nfs/dbraw/zinc/36/14/44/569361444.db2.gz OJTZYEUDXJVLAT-UHFFFAOYSA-N 0 0 426.948 3.585 50 0 IHAARN CCOc1c(Br)cc(Cl)cc1NC(=O)Cn1ncc(=O)c2ccccc21 ZINC000095348614 569361478 /nfs/dbraw/zinc/36/14/78/569361478.db2.gz SGYNEMXUPKBUEC-UHFFFAOYSA-N 0 0 436.693 3.850 50 0 IHAARN CN(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000095348947 569361682 /nfs/dbraw/zinc/36/16/82/569361682.db2.gz XBNBREDNDYHWIW-FQEVSTJZSA-N 0 0 441.578 3.568 50 0 IHAARN OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccsc1 ZINC000020362987 569361969 /nfs/dbraw/zinc/36/19/69/569361969.db2.gz KVONAJJTDVDSNM-OAQYLSRUSA-N 0 0 428.989 3.927 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)c2c1 ZINC000020375689 569362219 /nfs/dbraw/zinc/36/22/19/569362219.db2.gz RCQMXRBIWBPIEB-UHFFFAOYSA-N 0 0 426.900 3.803 50 0 IHAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cccc(O)c1 ZINC000080331058 569362375 /nfs/dbraw/zinc/36/23/75/569362375.db2.gz GNUIAKMWJBTTPN-CYBMUJFWSA-N 0 0 437.327 3.558 50 0 IHAARN CC(=O)c1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1 ZINC000020414648 569364303 /nfs/dbraw/zinc/36/43/03/569364303.db2.gz PBPYAUDQOGAMJH-UHFFFAOYSA-N 0 0 445.519 3.586 50 0 IHAARN CCn1cc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)ccc1=O ZINC000095405970 569364645 /nfs/dbraw/zinc/36/46/45/569364645.db2.gz TXZOFLGFEJGOCT-HXUWFJFHSA-N 0 0 427.545 3.745 50 0 IHAARN Cc1c2cnn(CC(=O)NC[C@@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417078 569364748 /nfs/dbraw/zinc/36/47/48/569364748.db2.gz NXLYVGPPRLOSNK-GOSISDBHSA-N 0 0 428.536 3.783 50 0 IHAARN Cc1c2cnn(CC(=O)NCCCc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417468 569364941 /nfs/dbraw/zinc/36/49/41/569364941.db2.gz ALNCBLBGFRLECO-UHFFFAOYSA-N 0 0 446.526 3.751 50 0 IHAARN CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000095451304 569367752 /nfs/dbraw/zinc/36/77/52/569367752.db2.gz MPEQVTBYWNTGHQ-NRFANRHFSA-N 0 0 448.567 3.980 50 0 IHAARN COc1cccc(CS(=O)(=O)NC[C@](C)(O)C(c2ccccc2)c2ccccc2)c1 ZINC000095461895 569370018 /nfs/dbraw/zinc/37/00/18/569370018.db2.gz WAVGWXOEPPSXJC-DEOSSOPVSA-N 0 0 425.550 3.698 50 0 IHAARN CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)cc1 ZINC000095462412 569370113 /nfs/dbraw/zinc/37/01/13/569370113.db2.gz SCUUTPNQOYOCLD-QGZVFWFLSA-N 0 0 426.460 3.708 50 0 IHAARN CC(C)[C@@H]1CN(CC(F)(F)F)CCN1CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000095468502 569371365 /nfs/dbraw/zinc/37/13/65/569371365.db2.gz CZRJCLUQOXNSQE-KRWDZBQOSA-N 0 0 426.932 3.708 50 0 IHAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095474016 569372499 /nfs/dbraw/zinc/37/24/99/569372499.db2.gz SEBGGVJGNKZQKA-HXUWFJFHSA-N 0 0 438.601 3.910 50 0 IHAARN COc1ccc([C@@H]2[C@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478409 569373546 /nfs/dbraw/zinc/37/35/46/569373546.db2.gz OYZDWPYZUCVBHO-DNQXCXABSA-N 0 0 428.488 3.605 50 0 IHAARN CC(C)[C@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000095480688 569373958 /nfs/dbraw/zinc/37/39/58/569373958.db2.gz DKSDFBBFOZZDIY-GOSISDBHSA-N 0 0 435.402 3.900 50 0 IHAARN COc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482343 569374279 /nfs/dbraw/zinc/37/42/79/569374279.db2.gz JNOXEXJSLYWJOE-CYBMUJFWSA-N 0 0 446.301 3.934 50 0 IHAARN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C2)cc1 ZINC000095942600 569375580 /nfs/dbraw/zinc/37/55/80/569375580.db2.gz UJFGFQRVPIKCTK-JOCHJYFZSA-N 0 0 434.540 3.777 50 0 IHAARN C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000095972136 569377524 /nfs/dbraw/zinc/37/75/24/569377524.db2.gz BOPIVHZRDNIXGN-UZUQRXQVSA-N 0 0 428.960 3.750 50 0 IHAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCCCC1 ZINC000095986356 569378015 /nfs/dbraw/zinc/37/80/15/569378015.db2.gz VKJKFUDFRSSWIS-UHFFFAOYSA-N 0 0 442.585 3.807 50 0 IHAARN CC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000095988878 569378246 /nfs/dbraw/zinc/37/82/46/569378246.db2.gz VSDPUOHJGSPKHG-AUUYWEPGSA-N 0 0 436.915 3.642 50 0 IHAARN CCOC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CCN(C(=O)OCC)C2 ZINC000096003445 569379255 /nfs/dbraw/zinc/37/92/55/569379255.db2.gz OCDXBBAXBYJQGP-UHFFFAOYSA-N 0 0 438.452 3.970 50 0 IHAARN CCN(CCCSc1nnc(-c2ccc(OC(F)F)cc2)n1N)CC(F)(F)F ZINC000096010378 569379795 /nfs/dbraw/zinc/37/97/95/569379795.db2.gz OJCYFMUJLAHLNU-UHFFFAOYSA-N 0 0 425.427 3.627 50 0 IHAARN O=C(OC1CCN(c2nncc3ccccc32)CC1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000096013444 569380340 /nfs/dbraw/zinc/38/03/40/569380340.db2.gz LBSADQGBCGPWOL-CQSZACIVSA-N 0 0 445.445 3.620 50 0 IHAARN O=C(CSc1nc2ccccc2s1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099411 569381582 /nfs/dbraw/zinc/38/15/82/569381582.db2.gz JPGATNCODLTOMX-UHFFFAOYSA-N 0 0 432.592 3.853 50 0 IHAARN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105297 569382292 /nfs/dbraw/zinc/38/22/92/569382292.db2.gz LFGHXSQBQBEEPP-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105501 569382433 /nfs/dbraw/zinc/38/24/33/569382433.db2.gz VKFLHOXPGHSYGF-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4Cl)CC3)C2=O)c1 ZINC000096105586 569382577 /nfs/dbraw/zinc/38/25/77/569382577.db2.gz OQGCHRKLGQOVHY-UHFFFAOYSA-N 0 0 443.906 3.823 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)NCCCc3nc4ccccc4[nH]3)c(Cl)cc12 ZINC000096118904 569384612 /nfs/dbraw/zinc/38/46/12/569384612.db2.gz VRLAFUHDSHIJNN-UHFFFAOYSA-N 0 0 425.872 3.759 50 0 IHAARN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096121426 569385016 /nfs/dbraw/zinc/38/50/16/569385016.db2.gz ZFMFFZUBXGTNJN-UHFFFAOYSA-N 0 0 444.845 3.695 50 0 IHAARN O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(F)c(Cl)c1 ZINC000096121470 569385070 /nfs/dbraw/zinc/38/50/70/569385070.db2.gz UJKXQGYLDZCYSW-UHFFFAOYSA-N 0 0 434.924 3.595 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 ZINC000096121739 569385152 /nfs/dbraw/zinc/38/51/52/569385152.db2.gz KMLAUTVSVKYAMH-UHFFFAOYSA-N 0 0 430.487 3.792 50 0 IHAARN COc1ccc(S(=O)(=O)N2CC[C@H](c3nc4ccncc4n3CC(C)C)C2)cc1Cl ZINC000096125412 569385631 /nfs/dbraw/zinc/38/56/31/569385631.db2.gz ZBHHLCZJQPSTJV-HNNXBMFYSA-N 0 0 448.976 3.928 50 0 IHAARN CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2NC1=O ZINC000096182240 569386094 /nfs/dbraw/zinc/38/60/94/569386094.db2.gz FNMJAVSWIISFRY-HXUWFJFHSA-N 0 0 434.901 3.967 50 0 IHAARN COCCCN(C(=O)c1ccccc1Cl)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000096210561 569386506 /nfs/dbraw/zinc/38/65/06/569386506.db2.gz WXIXVOSGZFAJFN-HNNXBMFYSA-N 0 0 434.920 3.822 50 0 IHAARN Cc1ccccc1-n1c2ncn(Cc3ccccc3F)c2c(=O)n(Cc2ccccc2)c1=O ZINC000096281289 569389836 /nfs/dbraw/zinc/38/98/36/569389836.db2.gz IAJLRYXKJKTCNW-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN O=C(c1c(F)cccc1F)N1CCc2nc(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000096281869 569390225 /nfs/dbraw/zinc/39/02/25/569390225.db2.gz XSAVDZJGWVDKCS-UHFFFAOYSA-N 0 0 427.499 3.544 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC3CC3)C(=O)C(C)C)ccc2OC)cc1 ZINC000096290609 569390884 /nfs/dbraw/zinc/39/08/84/569390884.db2.gz JPQFWBRPJJTYPX-UHFFFAOYSA-N 0 0 447.553 3.866 50 0 IHAARN COc1ccc(-c2noc([C@@H](NC(=O)COCc3ccccc3)C(C)C)n2)cc1OC ZINC000096293020 569391408 /nfs/dbraw/zinc/39/14/08/569391408.db2.gz MDGOHCMCHGOUHX-NRFANRHFSA-N 0 0 425.485 3.784 50 0 IHAARN COc1cc(-c2noc([C@H](NC(=O)Cc3ccc(F)cc3)C(C)C)n2)cc(OC)c1OC ZINC000096294048 569391751 /nfs/dbraw/zinc/39/17/51/569391751.db2.gz JIPMLKOLJPVKSL-HXUWFJFHSA-N 0 0 443.475 3.958 50 0 IHAARN CCNC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cc(C)ccc2C)CC1 ZINC000096317503 569393428 /nfs/dbraw/zinc/39/34/28/569393428.db2.gz JPZRJCJJEJTRRL-UHFFFAOYSA-N 0 0 439.604 3.806 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(C)c1C)c(=O)n2CC(=O)N[C@H](C)c1ccccc1 ZINC000096318228 569393762 /nfs/dbraw/zinc/39/37/62/569393762.db2.gz HDLRAMGLIMGDSE-HXUWFJFHSA-N 0 0 441.531 3.955 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1 ZINC000096318226 569393769 /nfs/dbraw/zinc/39/37/69/569393769.db2.gz TVVGOLJSRKJZQQ-UHFFFAOYSA-N 0 0 443.503 3.725 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(Cl)c5)c(=O)n4ccn3n2)cc1C ZINC000096322537 569394728 /nfs/dbraw/zinc/39/47/28/569394728.db2.gz LTMKDKSSMNQQKJ-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5ccccc5Cl)c(=O)n4ccn3n2)c1 ZINC000096322575 569394793 /nfs/dbraw/zinc/39/47/93/569394793.db2.gz SFKUAYHVECCWPM-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1Cl ZINC000096324787 569396171 /nfs/dbraw/zinc/39/61/71/569396171.db2.gz YWIYVYNPQGSPEI-HNNXBMFYSA-N 0 0 439.903 3.625 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1F ZINC000096331227 569396304 /nfs/dbraw/zinc/39/63/04/569396304.db2.gz LHVDRLSHIQGUQP-UHFFFAOYSA-N 0 0 425.547 3.844 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)cc1 ZINC000096358599 569397504 /nfs/dbraw/zinc/39/75/04/569397504.db2.gz KLBKHEHEYZUGKE-UHFFFAOYSA-N 0 0 446.551 3.717 50 0 IHAARN CCN1CCn2c3ccc(C(=O)Nc4ccc(Br)c(C)c4)cc3nc2C1=O ZINC000096372417 569397832 /nfs/dbraw/zinc/39/78/32/569397832.db2.gz BWVHZMLIAMDSNP-UHFFFAOYSA-N 0 0 427.302 3.835 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)c1OC ZINC000096386268 569398392 /nfs/dbraw/zinc/39/83/92/569398392.db2.gz VYWVSSSBADPFAV-UHFFFAOYSA-N 0 0 434.467 3.862 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)cc1OC ZINC000096387056 569398753 /nfs/dbraw/zinc/39/87/53/569398753.db2.gz HCAQZGBAKHQVBJ-HXUWFJFHSA-N 0 0 431.492 3.815 50 0 IHAARN COC(=O)[C@H](NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1)c1ccccc1 ZINC000096386827 569398768 /nfs/dbraw/zinc/39/87/68/569398768.db2.gz DWTBVPYJLQGVFQ-HSZRJFAPSA-N 0 0 448.523 3.889 50 0 IHAARN CCc1nc2cc(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cnc2nc1CC ZINC000096387426 569399016 /nfs/dbraw/zinc/39/90/16/569399016.db2.gz 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Cc1ccc(CNC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1C ZINC000096399504 569400028 /nfs/dbraw/zinc/40/00/28/569400028.db2.gz RFJSRRVLDNWURH-UHFFFAOYSA-N 0 0 435.596 3.693 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)sc2c1 ZINC000096399537 569400120 /nfs/dbraw/zinc/40/01/20/569400120.db2.gz WHNWJJVDACNZGQ-UHFFFAOYSA-N 0 0 449.579 3.991 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccc(F)cc3)sc2c1 ZINC000096399545 569400169 /nfs/dbraw/zinc/40/01/69/569400169.db2.gz YGUDFOGMNJCWIX-UHFFFAOYSA-N 0 0 439.559 3.606 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NC3CCCCCC3)sc2c1 ZINC000096399543 569400172 /nfs/dbraw/zinc/40/01/72/569400172.db2.gz DFUMXRUOMYXUTF-UHFFFAOYSA-N 0 0 427.617 3.989 50 0 IHAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096402655 569400463 /nfs/dbraw/zinc/40/04/63/569400463.db2.gz PZYYAUITYHAUPD-HLRDLLSLSA-N 0 0 429.900 3.962 50 0 IHAARN CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCN(C)CC3)cc2s1 ZINC000096562568 569401182 /nfs/dbraw/zinc/40/11/82/569401182.db2.gz BCHVFKPCZZUKIL-UHFFFAOYSA-N 0 0 426.567 3.658 50 0 IHAARN CCOC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000096581932 569401797 /nfs/dbraw/zinc/40/17/97/569401797.db2.gz IMQOHILGJKJGJU-WQRHYEAKSA-N 0 0 428.466 3.683 50 0 IHAARN COC(=O)c1cc(CN(C)CC(=O)Nc2ccc(Br)cc2Cl)oc1C ZINC000096994714 569402832 /nfs/dbraw/zinc/40/28/32/569402832.db2.gz DSBCTAJOZFBWDP-UHFFFAOYSA-N 0 0 429.698 3.861 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097077908 569403008 /nfs/dbraw/zinc/40/30/08/569403008.db2.gz QTKGXEDRWDUOEJ-INIZCTEOSA-N 0 0 428.901 3.980 50 0 IHAARN COCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(F)cc2)no1 ZINC000225534112 569403695 /nfs/dbraw/zinc/40/36/95/569403695.db2.gz BWFJMGSJSFVCPR-UHFFFAOYSA-N 0 0 426.473 3.914 50 0 IHAARN O=C(NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000002474707 569404388 /nfs/dbraw/zinc/40/43/88/569404388.db2.gz HWDOYMMZNYAHKL-GUYCJALGSA-N 0 0 434.374 3.795 50 0 IHAARN O=C(NCc1ccco1)c1cc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000225560691 569404521 /nfs/dbraw/zinc/40/45/21/569404521.db2.gz LUZMCNYMFJYDHZ-UHFFFAOYSA-N 0 0 446.429 3.971 50 0 IHAARN COC(=O)COc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 ZINC000002486240 569405061 /nfs/dbraw/zinc/40/50/61/569405061.db2.gz SJWXPNZVTDFPTC-QHCPKHFHSA-N 0 0 438.505 3.554 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCSc4ccccc43)C2)s1 ZINC000028022331 569406353 /nfs/dbraw/zinc/40/63/53/569406353.db2.gz XIBHPQMHEVZNGS-MRXNPFEDSA-N 0 0 436.624 3.986 50 0 IHAARN Cc1nc2c(c(N3CCC(NC(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)n1)CCCC2 ZINC000225738829 569407838 /nfs/dbraw/zinc/40/78/38/569407838.db2.gz PSRNINWTSSIVKZ-UHFFFAOYSA-N 0 0 448.546 3.602 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H](C)O1 ZINC000215686847 569412193 /nfs/dbraw/zinc/41/21/93/569412193.db2.gz ODOLBJNOHBQOGW-ISTVAULSSA-N 0 0 433.382 3.753 50 0 IHAARN COc1ccc(C)cc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000002634841 569412774 /nfs/dbraw/zinc/41/27/74/569412774.db2.gz JIJVETBAQJOJCH-HXUWFJFHSA-N 0 0 426.513 3.638 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002636594 569412970 /nfs/dbraw/zinc/41/29/70/569412970.db2.gz FEYPMWQUAPKTGH-LLVKDONJSA-N 0 0 425.268 3.901 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)[C@H]3COc4ccccc4O3)cs2)c1 ZINC000002640750 569413649 /nfs/dbraw/zinc/41/36/49/569413649.db2.gz TYUYHOYXUAKJJL-HXUWFJFHSA-N 0 0 438.505 3.824 50 0 IHAARN COC(=O)C1CCN(C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000002643462 569413850 /nfs/dbraw/zinc/41/38/50/569413850.db2.gz LJJHBFJXRGEQPW-UHFFFAOYSA-N 0 0 430.309 3.777 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)NC1CC1 ZINC000002645669 569414086 /nfs/dbraw/zinc/41/40/86/569414086.db2.gz GLFLWLWDWPAZAK-UHFFFAOYSA-N 0 0 439.606 3.950 50 0 IHAARN COCCn1c(C)cc(C(=O)COC(=O)c2c(NC(C)=O)sc3c2CCCC3)c1C ZINC000002652914 569415192 /nfs/dbraw/zinc/41/51/92/569415192.db2.gz YGFGKTGKDMATHY-UHFFFAOYSA-N 0 0 432.542 3.690 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000002664751 569416518 /nfs/dbraw/zinc/41/65/18/569416518.db2.gz WYTJSPIERIQBCY-HJPURHCSSA-N 0 0 443.931 3.587 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@H]1c1ccccc1)C2=O ZINC000230017939 569417426 /nfs/dbraw/zinc/41/74/26/569417426.db2.gz NZYCISGFBVWNRH-HUJREVKFSA-N 0 0 433.508 3.654 50 0 IHAARN CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C ZINC000002733633 569419669 /nfs/dbraw/zinc/41/96/69/569419669.db2.gz CFWUHIBUYFPTMQ-UHFFFAOYSA-N 0 0 447.992 3.572 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002753474 569420342 /nfs/dbraw/zinc/42/03/42/569420342.db2.gz FKHUTTXXQSAYHD-UHFFFAOYSA-N 0 0 428.418 3.695 50 0 IHAARN COc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCC(C)CC2)cc1 ZINC000002909145 569424758 /nfs/dbraw/zinc/42/47/58/569424758.db2.gz VLCXHFQHKKYETK-UHFFFAOYSA-N 0 0 429.567 3.806 50 0 IHAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000002921041 569425418 /nfs/dbraw/zinc/42/54/18/569425418.db2.gz SGNPNHMPXAZFAE-OAHLLOKOSA-N 0 0 438.553 3.586 50 0 IHAARN CCOc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000002927272 569425752 /nfs/dbraw/zinc/42/57/52/569425752.db2.gz YVWMLUVSJGVSKU-UHFFFAOYSA-N 0 0 448.552 3.974 50 0 IHAARN CCN(Cc1ccccc1)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 ZINC000002927347 569425903 /nfs/dbraw/zinc/42/59/03/569425903.db2.gz PASWNSPOPBHWPK-UHFFFAOYSA-N 0 0 446.580 3.986 50 0 IHAARN O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002938407 569426390 /nfs/dbraw/zinc/42/63/90/569426390.db2.gz NLZDBAFCBYERAW-UHFFFAOYSA-N 0 0 435.299 3.773 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000056908053 569427669 /nfs/dbraw/zinc/42/76/69/569427669.db2.gz MIASIZUEZBOUPP-UHFFFAOYSA-N 0 0 448.951 3.793 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000056945632 569427938 /nfs/dbraw/zinc/42/79/38/569427938.db2.gz UDGRRNVKVGSNTO-OAQYLSRUSA-N 0 0 429.442 3.990 50 0 IHAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NS(C)(=O)=O ZINC000029418169 569430152 /nfs/dbraw/zinc/43/01/52/569430152.db2.gz MROHWGGXHUKHRO-IYBDPMFKSA-N 0 0 443.569 3.737 50 0 IHAARN CCc1cccc2c(C(=O)CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c[nH]c21 ZINC000057315434 569430996 /nfs/dbraw/zinc/43/09/96/569430996.db2.gz WBISZTIZBODHNV-UHFFFAOYSA-N 0 0 433.508 3.992 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 ZINC000227003327 569431009 /nfs/dbraw/zinc/43/10/09/569431009.db2.gz MOKVWULACIIHPM-RULNRJAQSA-N 0 0 433.382 3.753 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1csc(-c2ccco2)n1 ZINC000029609628 569431631 /nfs/dbraw/zinc/43/16/31/569431631.db2.gz RXLKFLOIJXWEEG-UHFFFAOYSA-N 0 0 431.539 3.508 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC000002971910 569433483 /nfs/dbraw/zinc/43/34/83/569433483.db2.gz OKMCNLXSGMINGW-UHFFFAOYSA-N 0 0 435.549 3.774 50 0 IHAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000057425362 569434347 /nfs/dbraw/zinc/43/43/47/569434347.db2.gz OCGLRIHGHZVSLS-UHFFFAOYSA-N 0 0 445.522 3.530 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1ccc2c(c1)CCC2 ZINC000057426798 569434650 /nfs/dbraw/zinc/43/46/50/569434650.db2.gz JLULURGYTAUBSJ-UHFFFAOYSA-N 0 0 449.507 3.540 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)ccc3C)c2=O)c1 ZINC000057426853 569434711 /nfs/dbraw/zinc/43/47/11/569434711.db2.gz VZJUIWOPLYMLHJ-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000057427343 569434782 /nfs/dbraw/zinc/43/47/82/569434782.db2.gz UYYWEPWBOWYRCW-UHFFFAOYSA-N 0 0 426.325 3.970 50 0 IHAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000057428063 569434827 /nfs/dbraw/zinc/43/48/27/569434827.db2.gz AGUKFMCHEOMWIJ-UHFFFAOYSA-N 0 0 449.532 3.619 50 0 IHAARN CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2)c1ccccc1 ZINC000003008025 569435252 /nfs/dbraw/zinc/43/52/52/569435252.db2.gz HIMHXBGSWPADKD-XMMPIXPASA-N 0 0 438.597 3.799 50 0 IHAARN O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1 ZINC000003021208 569435951 /nfs/dbraw/zinc/43/59/51/569435951.db2.gz SYGNCBPMAVJKSQ-UHFFFAOYSA-N 0 0 439.375 3.604 50 0 IHAARN CCOC(CNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1)OCC ZINC000003022872 569436047 /nfs/dbraw/zinc/43/60/47/569436047.db2.gz DMKIBMGFQVRWSK-UHFFFAOYSA-N 0 0 449.345 3.508 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)c1 ZINC000057490108 569437126 /nfs/dbraw/zinc/43/71/26/569437126.db2.gz PWJCQHGOHPOBQZ-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)Nc1cccc(Cl)c1 ZINC000057490452 569437152 /nfs/dbraw/zinc/43/71/52/569437152.db2.gz HGXPUMYNQJSPCI-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000057491261 569437313 /nfs/dbraw/zinc/43/73/13/569437313.db2.gz DZEDHCBJJORCRB-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c1 ZINC000057492053 569437398 /nfs/dbraw/zinc/43/73/98/569437398.db2.gz UMHVXJOBKYZCSK-UHFFFAOYSA-N 0 0 448.548 3.535 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 ZINC000057492073 569437415 /nfs/dbraw/zinc/43/74/15/569437415.db2.gz JHFAYVKTAYESOH-UHFFFAOYSA-N 0 0 445.544 3.810 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1 ZINC000057492382 569437469 /nfs/dbraw/zinc/43/74/69/569437469.db2.gz UAIVNJNBECGQEX-HXUWFJFHSA-N 0 0 445.544 3.634 50 0 IHAARN O=C(CSCc1nc2ccccc2s1)NCc1ccc(CN2CCOCC2)cc1 ZINC000029882523 569437497 /nfs/dbraw/zinc/43/74/97/569437497.db2.gz SLQNNZKAQZTFKP-UHFFFAOYSA-N 0 0 427.595 3.678 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2C)c1=O)c1ccccc1 ZINC000057492880 569437526 /nfs/dbraw/zinc/43/75/26/569437526.db2.gz ZFXGMWBERYMNSJ-UHFFFAOYSA-N 0 0 433.533 3.884 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)ccc1F ZINC000057494259 569437654 /nfs/dbraw/zinc/43/76/54/569437654.db2.gz OKXMTLQIJKVNGR-UHFFFAOYSA-N 0 0 449.507 3.641 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)c1C ZINC000057494041 569437659 /nfs/dbraw/zinc/43/76/59/569437659.db2.gz DHOPSIDPZZSHJE-UHFFFAOYSA-N 0 0 439.562 3.784 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000003031703 569437732 /nfs/dbraw/zinc/43/77/32/569437732.db2.gz NKHDPKRNHJHRFR-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccco2)cc1OC ZINC000003039013 569438040 /nfs/dbraw/zinc/43/80/40/569438040.db2.gz GJSZWGLJZRVFDI-OGRDWSCISA-N 0 0 426.513 3.788 50 0 IHAARN Cc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)c1 ZINC000057504660 569438178 /nfs/dbraw/zinc/43/81/78/569438178.db2.gz VSGPNVFKNNSHAM-UHFFFAOYSA-N 0 0 449.488 3.806 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccc(F)cc2)n1 ZINC000057508715 569438390 /nfs/dbraw/zinc/43/83/90/569438390.db2.gz WGVALJBHONNMQR-UHFFFAOYSA-N 0 0 445.878 3.921 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)nc2N)cc1 ZINC000057510494 569438392 /nfs/dbraw/zinc/43/83/92/569438392.db2.gz CNIKBJVHIATISU-UHFFFAOYSA-N 0 0 448.957 3.584 50 0 IHAARN COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2C)c(OC)c1 ZINC000003047670 569438706 /nfs/dbraw/zinc/43/87/06/569438706.db2.gz JVRRSAPZJLOEHV-UHFFFAOYSA-N 0 0 444.509 3.795 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4cccc(F)c4)ncn3)C[C@H]2C)cc1 ZINC000230125904 569438802 /nfs/dbraw/zinc/43/88/02/569438802.db2.gz GPWXPUZJXWUGML-QGZVFWFLSA-N 0 0 442.516 3.616 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccc(F)cc4)ncn3)C[C@H]2C)cc1 ZINC000230124977 569438808 /nfs/dbraw/zinc/43/88/08/569438808.db2.gz ULDJPHOPSYNOHE-QGZVFWFLSA-N 0 0 442.516 3.616 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1OC ZINC000003049404 569438957 /nfs/dbraw/zinc/43/89/57/569438957.db2.gz CFEFWADVTAKOIB-RUZDIDTESA-N 0 0 444.531 3.802 50 0 biogenic IHAARN CCc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c3ccccc3n12 ZINC000057522826 569438999 /nfs/dbraw/zinc/43/89/99/569438999.db2.gz UCQYWICYWRHGMW-UHFFFAOYSA-N 0 0 449.820 3.918 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)c(C)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057528197 569439217 /nfs/dbraw/zinc/43/92/17/569439217.db2.gz DKSFITKARHDNRX-UHFFFAOYSA-N 0 0 425.872 3.606 50 0 IHAARN CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000003052360 569439269 /nfs/dbraw/zinc/43/92/69/569439269.db2.gz HKBKMYYERLIEJR-UHFFFAOYSA-N 0 0 438.811 3.676 50 0 IHAARN O=C(Cc1ccccc1)N[C@H](NC(=S)Nc1ccc(O)cc1)C(Cl)(Cl)Cl ZINC000003091959 569440083 /nfs/dbraw/zinc/44/00/83/569440083.db2.gz OPWAUJHLCIHTDA-OAHLLOKOSA-N 0 0 432.760 3.734 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000057585205 569439985 /nfs/dbraw/zinc/43/99/85/569439985.db2.gz WCYLMWNMDQRWCT-QHCPKHFHSA-N 0 0 429.520 3.681 50 0 IHAARN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C ZINC000057607775 569440151 /nfs/dbraw/zinc/44/01/51/569440151.db2.gz PDRIIYYOEKQFKS-OAHLLOKOSA-N 0 0 448.017 3.517 50 0 IHAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000030227720 569441143 /nfs/dbraw/zinc/44/11/43/569441143.db2.gz JSMCQPVMZAHYTC-UHFFFAOYSA-N 0 0 440.883 3.906 50 0 IHAARN CCN(CC)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000003177579 569441250 /nfs/dbraw/zinc/44/12/50/569441250.db2.gz MWCFIZXULKTGBP-UHFFFAOYSA-N 0 0 429.586 3.881 50 0 IHAARN Cc1ccc([C@@]2(C(F)(F)F)N=C3Sc4cc(S(C)(=O)=O)ccc4N3C(=O)N2)cc1 ZINC000003189318 569441427 /nfs/dbraw/zinc/44/14/27/569441427.db2.gz UIUBOYHATMFTLG-KRWDZBQOSA-N 0 0 441.456 3.805 50 0 IHAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003212144 569441763 /nfs/dbraw/zinc/44/17/63/569441763.db2.gz WCKRGQAIWHSSDV-UHFFFAOYSA-N 0 0 449.743 3.920 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000003207499 569441678 /nfs/dbraw/zinc/44/16/78/569441678.db2.gz QNZGQBYCINSGKE-UHFFFAOYSA-N 0 0 441.582 3.915 50 0 IHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003217046 569441843 /nfs/dbraw/zinc/44/18/43/569441843.db2.gz XBFHKAIXPRZLNC-HNNXBMFYSA-N 0 0 436.489 3.808 50 0 IHAARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000057845227 569441982 /nfs/dbraw/zinc/44/19/82/569441982.db2.gz AYSCCIMYAWHSHB-QGZVFWFLSA-N 0 0 426.948 3.616 50 0 IHAARN COc1cc(OC)cc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)c1 ZINC000003223978 569442071 /nfs/dbraw/zinc/44/20/71/569442071.db2.gz KLZJEVBFJQIMGP-UHFFFAOYSA-N 0 0 448.450 3.786 50 0 IHAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 ZINC000057865021 569442172 /nfs/dbraw/zinc/44/21/72/569442172.db2.gz AZCSFXJLWBGOFZ-AZUAARDMSA-N 0 0 445.633 3.909 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000003247265 569442813 /nfs/dbraw/zinc/44/28/13/569442813.db2.gz SJVFSPCFWFFLSW-GFCCVEGCSA-N 0 0 439.295 3.692 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1 ZINC000003253563 569443029 /nfs/dbraw/zinc/44/30/29/569443029.db2.gz UGSXVWCPOFQFCJ-UHFFFAOYSA-N 0 0 448.349 3.879 50 0 IHAARN COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000030521779 569443213 /nfs/dbraw/zinc/44/32/13/569443213.db2.gz OZOFDJGSTYGMMY-UHFFFAOYSA-N 0 0 432.723 3.710 50 0 IHAARN COc1ccc(-c2cc3ncnc(NCc4ccc(S(N)(=O)=O)cc4)c3s2)cc1 ZINC000030546378 569443522 /nfs/dbraw/zinc/44/35/22/569443522.db2.gz LMPZSROEUAAEDC-UHFFFAOYSA-N 0 0 426.523 3.626 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003279443 569443807 /nfs/dbraw/zinc/44/38/07/569443807.db2.gz OEVPHVUWKBSUAI-LLVKDONJSA-N 0 0 446.290 3.834 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 ZINC000003283321 569443976 /nfs/dbraw/zinc/44/39/76/569443976.db2.gz NBJSYZXSGCIKQP-UHFFFAOYSA-N 0 0 425.297 3.944 50 0 IHAARN Cc1sc2nc(SCn3nnc4ccccc4c3=O)n(-c3ccccc3)c(=O)c2c1C ZINC000003286504 569444134 /nfs/dbraw/zinc/44/41/34/569444134.db2.gz INWGBDYQPXVZET-UHFFFAOYSA-N 0 0 447.545 3.919 50 0 IHAARN Cc1csc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003294181 569444547 /nfs/dbraw/zinc/44/45/47/569444547.db2.gz ARBSIHFLRVEFBX-SFHVURJKSA-N 0 0 447.969 3.859 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCCCCC4)cc3C2=O)c1 ZINC000003296069 569444628 /nfs/dbraw/zinc/44/46/28/569444628.db2.gz XFTSWQMJYPPLNM-UHFFFAOYSA-N 0 0 434.492 3.663 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000003297259 569444803 /nfs/dbraw/zinc/44/48/03/569444803.db2.gz KPBTXPUGCYUTSL-BTYIYWSLSA-N 0 0 428.916 3.615 50 0 IHAARN CC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000058009400 569444833 /nfs/dbraw/zinc/44/48/33/569444833.db2.gz XDMSVRXXLUVPQL-UHFFFAOYSA-N 0 0 445.585 3.526 50 0 IHAARN COc1ccc(CCC(=O)N2CCC(c3nnc4ccccn43)CC2)cc1Br ZINC000030613952 569444975 /nfs/dbraw/zinc/44/49/75/569444975.db2.gz CXQPKBHLNGGEOQ-UHFFFAOYSA-N 0 0 443.345 3.839 50 0 IHAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000058018206 569445034 /nfs/dbraw/zinc/44/50/34/569445034.db2.gz VKZDFCSELPZFCS-JOCHJYFZSA-N 0 0 425.573 3.500 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(N(C)CC)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000058019182 569445081 /nfs/dbraw/zinc/44/50/81/569445081.db2.gz GIQBUYZRAHAAIL-UHFFFAOYSA-N 0 0 431.558 3.578 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)sc2c1CCCC2 ZINC000003308906 569445358 /nfs/dbraw/zinc/44/53/58/569445358.db2.gz YQBKXMNLCCWHDO-UHFFFAOYSA-N 0 0 427.309 3.828 50 0 IHAARN COc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1cccs1 ZINC000003312342 569445548 /nfs/dbraw/zinc/44/55/48/569445548.db2.gz CDBJVCLQPFYYAW-MRXNPFEDSA-N 0 0 442.562 3.930 50 0 IHAARN CC(C)NC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003313107 569445602 /nfs/dbraw/zinc/44/56/02/569445602.db2.gz UYKQOFTWCZRICL-UHFFFAOYSA-N 0 0 425.872 3.946 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000003316083 569445689 /nfs/dbraw/zinc/44/56/89/569445689.db2.gz DTPFPMHRFPLIFR-UHFFFAOYSA-N 0 0 440.477 3.520 50 0 IHAARN COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000003322494 569446039 /nfs/dbraw/zinc/44/60/39/569446039.db2.gz ZZXWGZOYPGWTBU-UHFFFAOYSA-N 0 0 444.443 3.600 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000003351981 569447427 /nfs/dbraw/zinc/44/74/27/569447427.db2.gz KXEHATPAKBNEKU-UHFFFAOYSA-N 0 0 427.309 3.828 50 0 IHAARN Cc1c(C(=O)N2CCCN(Cc3ccccc3F)C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000058138112 569448420 /nfs/dbraw/zinc/44/84/20/569448420.db2.gz JLBWJDQUMHZJDJ-UHFFFAOYSA-N 0 0 440.544 3.547 50 0 IHAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000003396338 569449447 /nfs/dbraw/zinc/44/94/47/569449447.db2.gz FDJNCCGJOWIIRN-UZLBHIALSA-N 0 0 437.565 3.890 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000058175379 569449788 /nfs/dbraw/zinc/44/97/88/569449788.db2.gz BGSXEHHQLOQLIC-UHFFFAOYSA-N 0 0 447.535 3.872 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C(C)=O)ccc2OC)ccc1C ZINC000003426455 569450600 /nfs/dbraw/zinc/45/06/00/569450600.db2.gz BCNLFGHMGAUROT-UHFFFAOYSA-N 0 0 433.526 3.594 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)ccc2c1 ZINC000003451328 569451683 /nfs/dbraw/zinc/45/16/83/569451683.db2.gz HOEOKAGETCJSPH-QHCPKHFHSA-N 0 0 437.883 3.908 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000003457417 569451835 /nfs/dbraw/zinc/45/18/35/569451835.db2.gz LNDKUUDEISOKCU-SFHVURJKSA-N 0 0 425.794 3.765 50 0 IHAARN O=C(CCC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(Br)cc1 ZINC000030999767 569452277 /nfs/dbraw/zinc/45/22/77/569452277.db2.gz CEVHTDXBGUOOFR-MRXNPFEDSA-N 0 0 441.329 3.861 50 0 IHAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)NC2CC2)sc2c3CCCC2)c1 ZINC000003478607 569452299 /nfs/dbraw/zinc/45/22/99/569452299.db2.gz YLECTAIOMMPZKZ-UHFFFAOYSA-N 0 0 441.578 3.705 50 0 IHAARN Cc1sc2ncnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c2c1C ZINC000003495373 569452644 /nfs/dbraw/zinc/45/26/44/569452644.db2.gz OOJOVBGLFKSWFH-UHFFFAOYSA-N 0 0 430.511 3.520 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000003502876 569452866 /nfs/dbraw/zinc/45/28/66/569452866.db2.gz FZJLHAZUXMKHSO-SANMLTNESA-N 0 0 441.487 3.518 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2cc1C(C)C ZINC000003511261 569453009 /nfs/dbraw/zinc/45/30/09/569453009.db2.gz KCGBZZYGUIYDOJ-UHFFFAOYSA-N 0 0 443.521 3.832 50 0 IHAARN COc1ccc(CNC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000003515860 569453121 /nfs/dbraw/zinc/45/31/21/569453121.db2.gz SAWZHQAFXDMRJQ-UHFFFAOYSA-N 0 0 429.108 3.915 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)cc1Br ZINC000031071877 569453132 /nfs/dbraw/zinc/45/31/32/569453132.db2.gz DBFLGFVMENZCLH-UHFFFAOYSA-N 0 0 439.375 3.879 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3cc(=O)n4ccsc4n3)cc12 ZINC000003546127 569453690 /nfs/dbraw/zinc/45/36/90/569453690.db2.gz OQOOMRZWYGNVMM-UHFFFAOYSA-N 0 0 440.481 3.961 50 0 IHAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031127360 569453765 /nfs/dbraw/zinc/45/37/65/569453765.db2.gz HHRUQQLPXYMTGL-RDJZCZTQSA-N 0 0 427.526 3.679 50 0 IHAARN COCC(=O)Nc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC000031139756 569454004 /nfs/dbraw/zinc/45/40/04/569454004.db2.gz SJMRKNCGHKJGNR-UHFFFAOYSA-N 0 0 425.510 3.797 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000003567755 569454120 /nfs/dbraw/zinc/45/41/20/569454120.db2.gz JWHOHGHHFQRAGW-HZPDHXFCSA-N 0 0 426.513 3.562 50 0 IHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)Cn3cc(Br)ccc3=O)cc2)n1 ZINC000058402509 569454251 /nfs/dbraw/zinc/45/42/51/569454251.db2.gz BZVAUAPRVDDIDD-UHFFFAOYSA-N 0 0 445.342 3.808 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(Br)o1)CCC2 ZINC000003577993 569454347 /nfs/dbraw/zinc/45/43/47/569454347.db2.gz IEOSWFAZYJTSJG-UHFFFAOYSA-N 0 0 442.287 3.565 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2C(C)C)cc1 ZINC000003587452 569454515 /nfs/dbraw/zinc/45/45/15/569454515.db2.gz MOPJATMOZHJCDW-UHFFFAOYSA-N 0 0 438.509 3.841 50 0 IHAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000003587806 569454518 /nfs/dbraw/zinc/45/45/18/569454518.db2.gz AHUZXPUNIYSFQX-UHFFFAOYSA-N 0 0 429.538 3.826 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000003610713 569454981 /nfs/dbraw/zinc/45/49/81/569454981.db2.gz RDIMAQMULLHADV-HSZRJFAPSA-N 0 0 437.883 3.908 50 0 IHAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657882 569455791 /nfs/dbraw/zinc/45/57/91/569455791.db2.gz LJNZLJYHBYAOLH-DHIUTWEWSA-N 0 0 430.460 3.973 50 0 IHAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N2C)cc1 ZINC000003657881 569455797 /nfs/dbraw/zinc/45/57/97/569455797.db2.gz LJNZLJYHBYAOLH-XZOQPEGZSA-N 0 0 430.460 3.973 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccnc1N1CCOCC1 ZINC000031329113 569455977 /nfs/dbraw/zinc/45/59/77/569455977.db2.gz BPKXUDFSXSXTSP-UHFFFAOYSA-N 0 0 430.867 3.604 50 0 IHAARN Cc1nn(C[C@@H](O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000031561155 569456745 /nfs/dbraw/zinc/45/67/45/569456745.db2.gz BXMRHBWCGLYLPE-HXUWFJFHSA-N 0 0 431.945 3.638 50 0 IHAARN Cc1ccc(-c2nnc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)o2)cc1 ZINC000031620529 569456921 /nfs/dbraw/zinc/45/69/21/569456921.db2.gz BICDUOUMALIVIR-QGZVFWFLSA-N 0 0 426.546 3.708 50 0 IHAARN COc1ccc(OC)c2c1CN(Cn1nc(-c3ccc(Cl)cc3)n(C)c1=S)C[C@@H]2O ZINC000031783878 569457427 /nfs/dbraw/zinc/45/74/27/569457427.db2.gz DGMUMROSWRTPJG-INIZCTEOSA-N 0 0 446.960 3.795 50 0 IHAARN CC(C)c1c(C(=O)NCC(=O)OCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031817645 569457997 /nfs/dbraw/zinc/45/79/97/569457997.db2.gz FGEYGOBHMDJRKI-UHFFFAOYSA-N 0 0 446.429 3.883 50 0 IHAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1 ZINC000031903669 569458335 /nfs/dbraw/zinc/45/83/35/569458335.db2.gz ZQJXNKVOCHGYBC-GOSISDBHSA-N 0 0 432.524 3.578 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccnc3)CC2)c(C)c1 ZINC000031941851 569458519 /nfs/dbraw/zinc/45/85/19/569458519.db2.gz JVRHFRKSCZUQSD-QFIPXVFZSA-N 0 0 441.597 3.771 50 0 IHAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000004073523 569458624 /nfs/dbraw/zinc/45/86/24/569458624.db2.gz QGXFHCQDCFOODI-MIAKESKMSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4)C3)nn21 ZINC000032072940 569459269 /nfs/dbraw/zinc/45/92/69/569459269.db2.gz PVVYMURNYLEECT-CQSZACIVSA-N 0 0 443.349 3.865 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@H]3CCCO3)nn1-c1ccccc1F)C2 ZINC000032074712 569459337 /nfs/dbraw/zinc/45/93/37/569459337.db2.gz UJFYNFICZBZACL-OAHLLOKOSA-N 0 0 437.471 3.509 50 0 IHAARN CCc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183210 569460742 /nfs/dbraw/zinc/46/07/42/569460742.db2.gz UZRHKYIRIYCFOW-JOCHJYFZSA-N 0 0 429.582 3.967 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000229691780 569461332 /nfs/dbraw/zinc/46/13/32/569461332.db2.gz DUBAAHJGMOUHKK-BJESRGMDSA-N 0 0 439.446 3.587 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)c1 ZINC000032441808 569461732 /nfs/dbraw/zinc/46/17/32/569461732.db2.gz XYVFTRFCIUDDPR-UHFFFAOYSA-N 0 0 439.533 3.977 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007978420 569461980 /nfs/dbraw/zinc/46/19/80/569461980.db2.gz MFODWBBXQJXEMM-GOSISDBHSA-N 0 0 427.570 3.641 50 0 IHAARN COc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000008132734 569462214 /nfs/dbraw/zinc/46/22/14/569462214.db2.gz DNMRWDXJIFDNDT-DLBZAZTESA-N 0 0 431.606 3.828 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000038180763 569462318 /nfs/dbraw/zinc/46/23/18/569462318.db2.gz HWTPIFMCSOYGEI-KBPBESRZSA-N 0 0 427.858 3.584 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000008157238 569462359 /nfs/dbraw/zinc/46/23/59/569462359.db2.gz FFQFUKNRWHETJD-FQEVSTJZSA-N 0 0 427.570 3.828 50 0 IHAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5nsnc5c4)CC3)nn2)cc1 ZINC000038488082 569462961 /nfs/dbraw/zinc/46/29/61/569462961.db2.gz YIABITHWQWNEMA-UHFFFAOYSA-N 0 0 446.536 3.509 50 0 IHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)ncn3n2)cc1 ZINC000067208832 569464748 /nfs/dbraw/zinc/46/47/48/569464748.db2.gz OLIMRUYZLYVVFJ-UHFFFAOYSA-N 0 0 425.851 3.552 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Br)n1C ZINC000008446176 569464843 /nfs/dbraw/zinc/46/48/43/569464843.db2.gz IZEZQFZMYAHKPE-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3C)c2=O)cc1 ZINC000067218468 569465007 /nfs/dbraw/zinc/46/50/07/569465007.db2.gz ICTBTNJZXLEZMZ-UHFFFAOYSA-N 0 0 447.516 3.672 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1 ZINC000067226124 569465211 /nfs/dbraw/zinc/46/52/11/569465211.db2.gz MNTNGEZZTZNTRO-OAHLLOKOSA-N 0 0 425.558 3.851 50 0 IHAARN CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2s1 ZINC000067225748 569465248 /nfs/dbraw/zinc/46/52/48/569465248.db2.gz ZHQZTGIGQWEBTM-UHFFFAOYSA-N 0 0 439.928 3.782 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O ZINC000067226169 569465254 /nfs/dbraw/zinc/46/52/54/569465254.db2.gz ZXQBKNCGGQIDCI-GFCCVEGCSA-N 0 0 431.949 3.690 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O ZINC000067226211 569465279 /nfs/dbraw/zinc/46/52/79/569465279.db2.gz ACZCXKUKTXYFPD-AWEZNQCLSA-N 0 0 425.558 3.599 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 ZINC000067236463 569465432 /nfs/dbraw/zinc/46/54/32/569465432.db2.gz OUXVJIZOAVDVKW-UHFFFAOYSA-N 0 0 436.493 3.608 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(C)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237366 569465551 /nfs/dbraw/zinc/46/55/51/569465551.db2.gz IPCGJEJLBSJSOD-UHFFFAOYSA-N 0 0 436.512 3.878 50 0 IHAARN COc1cc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc(OC)c1 ZINC000067238097 569465593 /nfs/dbraw/zinc/46/55/93/569465593.db2.gz LQCZUIUMJIAXDB-UHFFFAOYSA-N 0 0 444.557 3.827 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4 ZINC000038652007 569465713 /nfs/dbraw/zinc/46/57/13/569465713.db2.gz JSTCZGCRXBNBJJ-UHFFFAOYSA-N 0 0 441.944 3.975 50 0 IHAARN CSc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)cc1 ZINC000067246163 569465930 /nfs/dbraw/zinc/46/59/30/569465930.db2.gz VALWSXKWFPYYJY-UHFFFAOYSA-N 0 0 446.985 3.961 50 0 IHAARN COc1cccc(N2CCN(c3nccn4nc(-c5ccc(OC)c(OC)c5)cc34)CC2)c1 ZINC000067285343 569466832 /nfs/dbraw/zinc/46/68/32/569466832.db2.gz OHDJGMVWSJKUHA-UHFFFAOYSA-N 0 0 445.523 3.749 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO ZINC000067300581 569468205 /nfs/dbraw/zinc/46/82/05/569468205.db2.gz LQWAMTLMLWLYLG-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN CCc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000067300479 569468207 /nfs/dbraw/zinc/46/82/07/569468207.db2.gz FMFGWCQSLDFCDL-UHFFFAOYSA-N 0 0 425.916 3.608 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C(=O)Nc1cccc(Cl)c1 ZINC000038736387 569468378 /nfs/dbraw/zinc/46/83/78/569468378.db2.gz OKNSVOQIZMFSHT-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1CCO ZINC000067316557 569468394 /nfs/dbraw/zinc/46/83/94/569468394.db2.gz IECKFUFJTLBUGX-UHFFFAOYSA-N 0 0 437.927 3.534 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)N1CCc2ccccc21 ZINC000067318107 569468451 /nfs/dbraw/zinc/46/84/51/569468451.db2.gz VSWYEMUIYYTPMQ-UHFFFAOYSA-N 0 0 449.470 3.703 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NC1CCCCC1 ZINC000067318607 569468487 /nfs/dbraw/zinc/46/84/87/569468487.db2.gz OKXYIGUAGBMHKW-UHFFFAOYSA-N 0 0 429.480 3.562 50 0 IHAARN CSc1nc2cc(C)n(CC(=O)Nc3ccc(C(C)=O)cc3)c2c(=O)n1CC(C)C ZINC000067320053 569468587 /nfs/dbraw/zinc/46/85/87/569468587.db2.gz GMSUPZYGLVXUHX-UHFFFAOYSA-N 0 0 426.542 3.726 50 0 IHAARN COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)c1 ZINC000067341499 569469081 /nfs/dbraw/zinc/46/90/81/569469081.db2.gz DRDXRALLEUEOCO-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)Nc1ccccc1F ZINC000038925538 569469515 /nfs/dbraw/zinc/46/95/15/569469515.db2.gz YRMXHJFYGCFJLG-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000008660801 569469738 /nfs/dbraw/zinc/46/97/38/569469738.db2.gz BBIOSUSCSMBXBJ-HXUWFJFHSA-N 0 0 426.494 3.680 50 0 IHAARN O=C(CN1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccc(Cl)cc1Cl ZINC000008694516 569470085 /nfs/dbraw/zinc/47/00/85/569470085.db2.gz XFCAMRPGFABROO-UHFFFAOYSA-N 0 0 437.356 3.984 50 0 IHAARN COc1ccc(OC)c(NCN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)c1 ZINC000008694839 569470133 /nfs/dbraw/zinc/47/01/33/569470133.db2.gz YFXJUZCCPFHODZ-DJKKODMXSA-N 0 0 430.482 3.827 50 0 IHAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008705733 569470420 /nfs/dbraw/zinc/47/04/20/569470420.db2.gz CSKCKZJMMCGAPD-RUZDIDTESA-N 0 0 447.560 3.824 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1=O ZINC000008718320 569471277 /nfs/dbraw/zinc/47/12/77/569471277.db2.gz MQSQRNDZRHYKIS-DEOSSOPVSA-N 0 0 437.471 3.925 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1nc2ccccc2s1 ZINC000008723742 569471889 /nfs/dbraw/zinc/47/18/89/569471889.db2.gz PVQBMJHZKJCOGN-UHFFFAOYSA-N 0 0 434.521 3.890 50 0 IHAARN Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1 ZINC000008735288 569472674 /nfs/dbraw/zinc/47/26/74/569472674.db2.gz MYXCWYNWWNUERS-UHFFFAOYSA-N 0 0 426.538 3.775 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)no1 ZINC000008746864 569473117 /nfs/dbraw/zinc/47/31/17/569473117.db2.gz CBSKSZKCACTTPT-OAHLLOKOSA-N 0 0 444.536 3.981 50 0 IHAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(-n2cnnn2)cc1 ZINC000008753752 569473721 /nfs/dbraw/zinc/47/37/21/569473721.db2.gz WOHHHLIMLMZHFQ-UHFFFAOYSA-N 0 0 430.415 3.981 50 0 IHAARN COc1ccccc1N(C[C@@H](O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 ZINC000008754166 569473832 /nfs/dbraw/zinc/47/38/32/569473832.db2.gz VODADBJXJKFFQM-HXUWFJFHSA-N 0 0 441.549 3.947 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000008763809 569474514 /nfs/dbraw/zinc/47/45/14/569474514.db2.gz JYKHCZXIQIKLBM-NJDAHSKKSA-N 0 0 448.500 3.894 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C ZINC000008768519 569474969 /nfs/dbraw/zinc/47/49/69/569474969.db2.gz SMZPJLJBUNPUQA-UHFFFAOYSA-N 0 0 428.963 3.606 50 0 IHAARN CC1(C)CCc2c(cc(OCC(=O)NCc3ccccn3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000008791445 569476220 /nfs/dbraw/zinc/47/62/20/569476220.db2.gz FVXHSQJZKKUDCQ-UHFFFAOYSA-N 0 0 448.519 3.866 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC ZINC000008840915 569478442 /nfs/dbraw/zinc/47/84/42/569478442.db2.gz KNSSNIITXHSXID-UHFFFAOYSA-N 0 0 432.542 3.830 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000008843872 569478526 /nfs/dbraw/zinc/47/85/26/569478526.db2.gz FOOIXLMMSFTXDJ-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000008844211 569478614 /nfs/dbraw/zinc/47/86/14/569478614.db2.gz GGPWHEIQDOMPCL-UHFFFAOYSA-N 0 0 430.536 3.628 50 0 IHAARN CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008845799 569478956 /nfs/dbraw/zinc/47/89/56/569478956.db2.gz QAWRAEOZJWCMPV-SFHVURJKSA-N 0 0 444.285 3.824 50 0 IHAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008846104 569478992 /nfs/dbraw/zinc/47/89/92/569478992.db2.gz AHGCFHMKWSXISH-QFIPXVFZSA-N 0 0 428.444 3.956 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1Cc1ccco1 ZINC000008860762 569479913 /nfs/dbraw/zinc/47/99/13/569479913.db2.gz VYQYWMOQUGAXFS-QFIPXVFZSA-N 0 0 444.491 3.573 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c3ccccc3oc2=O)cc1 ZINC000008861067 569479938 /nfs/dbraw/zinc/47/99/38/569479938.db2.gz PCGHFVAVIMURSF-JOCHJYFZSA-N 0 0 427.460 3.981 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c3ccccc3oc2=O)cc1 ZINC000008861065 569479953 /nfs/dbraw/zinc/47/99/53/569479953.db2.gz PCGHFVAVIMURSF-QFIPXVFZSA-N 0 0 427.460 3.981 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000008862462 569480188 /nfs/dbraw/zinc/48/01/88/569480188.db2.gz XUDVLGLEWWWHPG-LBPRGKRZSA-N 0 0 429.527 3.599 50 0 IHAARN CCc1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008869311 569480436 /nfs/dbraw/zinc/48/04/36/569480436.db2.gz KZKVYOMONWRLPF-FQEVSTJZSA-N 0 0 429.513 3.893 50 0 IHAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000008871486 569480831 /nfs/dbraw/zinc/48/08/31/569480831.db2.gz HMHNTVUUWKPGQU-AWEZNQCLSA-N 0 0 442.313 3.882 50 0 IHAARN CCOC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000008871487 569480834 /nfs/dbraw/zinc/48/08/34/569480834.db2.gz GJGJZLASQBKEMZ-CQSZACIVSA-N 0 0 427.888 3.782 50 0 IHAARN CCOC(=O)Nc1ccc2c(CN(CC)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1 ZINC000008879862 569481361 /nfs/dbraw/zinc/48/13/61/569481361.db2.gz HHUGZSUFYBUPJK-UHFFFAOYSA-N 0 0 448.479 3.620 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)n2)o1 ZINC000008880711 569481474 /nfs/dbraw/zinc/48/14/74/569481474.db2.gz GFLPDUJFORMODG-HNNXBMFYSA-N 0 0 435.502 3.642 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 ZINC000039979711 569482227 /nfs/dbraw/zinc/48/22/27/569482227.db2.gz CMSHZLRQKCMBJW-JOCHJYFZSA-N 0 0 433.526 3.685 50 0 IHAARN O=C(c1cccc(CN2CCCC2=O)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039984886 569482318 /nfs/dbraw/zinc/48/23/18/569482318.db2.gz KCDREYDWMITAQK-UHFFFAOYSA-N 0 0 431.458 3.790 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008890616 569483244 /nfs/dbraw/zinc/48/32/44/569483244.db2.gz BDMKSAKDDQRWGD-XRHLQHRESA-N 0 0 439.515 3.924 50 0 IHAARN O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000040040739 569483537 /nfs/dbraw/zinc/48/35/37/569483537.db2.gz FJKVSTIPXMTTGD-NRFANRHFSA-N 0 0 439.519 3.589 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008894738 569483702 /nfs/dbraw/zinc/48/37/02/569483702.db2.gz OPIYTSIOYLYJMK-GOSISDBHSA-N 0 0 441.487 3.522 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccnn3C3CCCCC3)C2)s1 ZINC000040047655 569483758 /nfs/dbraw/zinc/48/37/58/569483758.db2.gz YKQXXWKCCVUNNE-MRXNPFEDSA-N 0 0 436.603 3.798 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nn1-c1ccccc1 ZINC000008895454 569483818 /nfs/dbraw/zinc/48/38/18/569483818.db2.gz QUVFGFDAHJRXGN-UHFFFAOYSA-N 0 0 440.507 3.778 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008901805 569484331 /nfs/dbraw/zinc/48/43/31/569484331.db2.gz JKTROVUISKDITR-CYBMUJFWSA-N 0 0 442.566 3.791 50 0 IHAARN Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000040052019 569484464 /nfs/dbraw/zinc/48/44/64/569484464.db2.gz RDZZYSWBAHIHSO-HXUWFJFHSA-N 0 0 448.548 3.812 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040057768 569484638 /nfs/dbraw/zinc/48/46/38/569484638.db2.gz IQJJHOLSSSVYCJ-HZPDHXFCSA-N 0 0 428.407 3.506 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000040058765 569484656 /nfs/dbraw/zinc/48/46/56/569484656.db2.gz VRDFAXYNPCANBH-HXUWFJFHSA-N 0 0 428.554 3.928 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 ZINC000008912419 569485000 /nfs/dbraw/zinc/48/50/00/569485000.db2.gz JAGQOWDHERAPOW-UHFFFAOYSA-N 0 0 449.019 3.803 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nnc(-n3c(C)ccc3C)s2)C1 ZINC000008912689 569485048 /nfs/dbraw/zinc/48/50/48/569485048.db2.gz DDQHRKGKAIQLDG-IBGZPJMESA-N 0 0 439.585 3.877 50 0 IHAARN COc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008915148 569485480 /nfs/dbraw/zinc/48/54/80/569485480.db2.gz PHVAJCWFVMQZDY-LJQANCHMSA-N 0 0 427.522 3.508 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071665 569485830 /nfs/dbraw/zinc/48/58/30/569485830.db2.gz IBJPNFCAZVPWHU-LBPRGKRZSA-N 0 0 429.389 3.716 50 0 IHAARN C[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C)c1cc2ccccc2o1 ZINC000040071976 569485850 /nfs/dbraw/zinc/48/58/50/569485850.db2.gz SVFNMFFRZREGSX-LMKMVOKYSA-N 0 0 431.492 3.999 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H](c1cccs1)C1CCCC1 ZINC000040096620 569487557 /nfs/dbraw/zinc/48/75/57/569487557.db2.gz PDGJOOHJMONYKK-HXUWFJFHSA-N 0 0 449.598 3.822 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000040096839 569487578 /nfs/dbraw/zinc/48/75/78/569487578.db2.gz GKIBHOFNSOGRFI-UHFFFAOYSA-N 0 0 427.448 3.812 50 0 IHAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000008936388 569488006 /nfs/dbraw/zinc/48/80/06/569488006.db2.gz SHDOMVNQXZBPHC-UHFFFAOYSA-N 0 0 438.505 3.513 50 0 IHAARN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000008936491 569488047 /nfs/dbraw/zinc/48/80/47/569488047.db2.gz IXKZPWRJRYLCIO-FQEVSTJZSA-N 0 0 446.595 3.836 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040106123 569488376 /nfs/dbraw/zinc/48/83/76/569488376.db2.gz IVAITIQKTPHRAS-GDBMZVCRSA-N 0 0 429.966 3.596 50 0 IHAARN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 ZINC000040107819 569488503 /nfs/dbraw/zinc/48/85/03/569488503.db2.gz FLJVMOZLQOASQK-QGZVFWFLSA-N 0 0 444.409 3.905 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2ccc(C(F)(F)F)cc2)c(NC(C)C)n1 ZINC000008941574 569488643 /nfs/dbraw/zinc/48/86/43/569488643.db2.gz HUGJLDSJBWFDSX-UHFFFAOYSA-N 0 0 438.479 3.817 50 0 IHAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H](C(=O)NCC(C)C)C3)c12 ZINC000040117738 569489322 /nfs/dbraw/zinc/48/93/22/569489322.db2.gz OCPFHYZJQZPSAE-MRXNPFEDSA-N 0 0 438.503 3.962 50 0 IHAARN C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O ZINC000040116665 569489324 /nfs/dbraw/zinc/48/93/24/569489324.db2.gz LGENARJXTLJVPA-FQEVSTJZSA-N 0 0 425.451 3.702 50 0 IHAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@H](C)O1 ZINC000040121014 569489520 /nfs/dbraw/zinc/48/95/20/569489520.db2.gz NKAQERFPLJBUKR-GASCZTMLSA-N 0 0 427.372 3.800 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000040121901 569489604 /nfs/dbraw/zinc/48/96/04/569489604.db2.gz HBRXAFHXKKKUBH-QHCPKHFHSA-N 0 0 442.581 3.801 50 0 IHAARN CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@@H](C)c1ccccc1Br ZINC000040122716 569489648 /nfs/dbraw/zinc/48/96/48/569489648.db2.gz KBQKXRTZIRSAQD-HNNXBMFYSA-N 0 0 445.423 3.810 50 0 IHAARN O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000040134209 569490524 /nfs/dbraw/zinc/49/05/24/569490524.db2.gz PBSGOSVFBJDQLQ-XMMPIXPASA-N 0 0 435.568 3.947 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1 ZINC000040135629 569490660 /nfs/dbraw/zinc/49/06/60/569490660.db2.gz GHRKHNKUDKEAEN-SFHVURJKSA-N 0 0 447.608 3.984 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000040135350 569490668 /nfs/dbraw/zinc/49/06/68/569490668.db2.gz NFRLTMSZVMACNT-GASCZTMLSA-N 0 0 442.947 3.893 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000040135416 569490688 /nfs/dbraw/zinc/49/06/88/569490688.db2.gz JXBBCMVTTKMTLF-CQSZACIVSA-N 0 0 433.940 3.501 50 0 IHAARN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000040139129 569490824 /nfs/dbraw/zinc/49/08/24/569490824.db2.gz OLXCVXBZQZDHIH-NRFANRHFSA-N 0 0 448.519 3.502 50 0 IHAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCc1ccccc1 ZINC000008965345 569491455 /nfs/dbraw/zinc/49/14/55/569491455.db2.gz KEDFGZIHNWHUHP-UHFFFAOYSA-N 0 0 428.536 3.943 50 0 IHAARN O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000040140189 569491504 /nfs/dbraw/zinc/49/15/04/569491504.db2.gz GDVRZMITCUUKJK-UHFFFAOYSA-N 0 0 426.442 3.741 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)nc2n1 ZINC000008965850 569491572 /nfs/dbraw/zinc/49/15/72/569491572.db2.gz RVTKOOOITHTRFL-HNNXBMFYSA-N 0 0 438.538 3.866 50 0 IHAARN O=C(CSc1ncccc1C(=O)NCc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000008966092 569491648 /nfs/dbraw/zinc/49/16/48/569491648.db2.gz HCOAQTOQDFQQSZ-UHFFFAOYSA-N 0 0 439.468 3.610 50 0 IHAARN O=C(COCc1ccccc1Cl)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000040141584 569491739 /nfs/dbraw/zinc/49/17/39/569491739.db2.gz SRSMAWZZALNRCE-UHFFFAOYSA-N 0 0 428.872 3.714 50 0 IHAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1C(=O)NC1CC1 ZINC000008966177 569491742 /nfs/dbraw/zinc/49/17/42/569491742.db2.gz LJWRQZKQAWOIDJ-UHFFFAOYSA-N 0 0 433.537 3.768 50 0 IHAARN COc1ccccc1Oc1ccc(NC(=O)c2cnn([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000040141657 569491750 /nfs/dbraw/zinc/49/17/50/569491750.db2.gz BKQTWJUFQZWRCL-KRWDZBQOSA-N 0 0 441.509 3.604 50 0 IHAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000040153202 569493589 /nfs/dbraw/zinc/49/35/89/569493589.db2.gz JZCIQZVVNMNCLZ-UHFFFAOYSA-N 0 0 442.827 3.501 50 0 IHAARN COc1cccc(CO[C@@H](C)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000040154580 569493723 /nfs/dbraw/zinc/49/37/23/569493723.db2.gz YWBGIDDHVDQMOK-INIZCTEOSA-N 0 0 429.492 3.552 50 0 IHAARN O=C(NCc1ccnc(-n2ccnc2)c1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000040156108 569494044 /nfs/dbraw/zinc/49/40/44/569494044.db2.gz CIONLXCIWPKFSK-UHFFFAOYSA-N 0 0 445.483 3.646 50 0 IHAARN CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000040156198 569494132 /nfs/dbraw/zinc/49/41/32/569494132.db2.gz QRIZLGAXQYWRKH-KBXCAEBGSA-N 0 0 439.375 3.525 50 0 IHAARN COc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)c2c[nH]c3ccccc32)cc1 ZINC000008981874 569494427 /nfs/dbraw/zinc/49/44/27/569494427.db2.gz USMWYCDRTGTHDR-IBGZPJMESA-N 0 0 425.510 3.892 50 0 IHAARN C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000040159227 569494703 /nfs/dbraw/zinc/49/47/03/569494703.db2.gz DNHXLCHGWDACNB-IAQYHMDHSA-N 0 0 442.932 3.746 50 0 IHAARN COc1cccc(NC(=S)N2CCN(C(=S)Nc3cccc(OC)c3)[C@H](C)C2)c1 ZINC000040161430 569495168 /nfs/dbraw/zinc/49/51/68/569495168.db2.gz MWAAZYZAYUOLHZ-OAHLLOKOSA-N 0 0 430.599 3.804 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCc3ccccc3C2)cc1 ZINC000008992100 569495296 /nfs/dbraw/zinc/49/52/96/569495296.db2.gz MGXVXQPVGMNKQC-VWLOTQADSA-N 0 0 446.572 3.696 50 0 IHAARN COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cn(C3CC3)c21 ZINC000008991938 569495312 /nfs/dbraw/zinc/49/53/12/569495312.db2.gz MXMUHCBECHUPFT-UHFFFAOYSA-N 0 0 428.391 3.647 50 0 IHAARN CCOc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OCC ZINC000009004829 569496077 /nfs/dbraw/zinc/49/60/77/569496077.db2.gz DAZDFWZZYRKMTG-UHFFFAOYSA-N 0 0 430.570 3.823 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(=O)N2 ZINC000040288277 569498461 /nfs/dbraw/zinc/49/84/61/569498461.db2.gz PTCAAQWKVRTXEK-ZDUSSCGKSA-N 0 0 443.389 3.949 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1OC ZINC000009048554 569498489 /nfs/dbraw/zinc/49/84/89/569498489.db2.gz TZJTWQLHIZLKRB-MRXNPFEDSA-N 0 0 437.496 3.685 50 0 IHAARN O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000009052974 569498802 /nfs/dbraw/zinc/49/88/02/569498802.db2.gz KCRVASKVZMWJCA-UHFFFAOYSA-N 0 0 439.002 3.817 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)CC1 ZINC000009071263 569500106 /nfs/dbraw/zinc/50/01/06/569500106.db2.gz DVXJRYLOBBBZOV-UHFFFAOYSA-N 0 0 447.535 3.926 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000009112520 569502379 /nfs/dbraw/zinc/50/23/79/569502379.db2.gz FDGYIKUSCMXOQK-IQMFZBJNSA-N 0 0 425.533 3.522 50 0 IHAARN Cc1cc(C(=O)COC(=O)C(=O)c2c(C)nn(C)c2C)c(C)n1CCC1=CCCCC1 ZINC000009112859 569502441 /nfs/dbraw/zinc/50/24/41/569502441.db2.gz YRUPXDOPWVGXFS-UHFFFAOYSA-N 0 0 425.529 3.955 50 0 IHAARN COc1ccc(CNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)cc1OC ZINC000009115152 569502697 /nfs/dbraw/zinc/50/26/97/569502697.db2.gz DIWSRPGUHAOCFY-UHFFFAOYSA-N 0 0 428.510 3.567 50 0 IHAARN O=C(NCc1ccccn1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 ZINC000009117555 569503169 /nfs/dbraw/zinc/50/31/69/569503169.db2.gz NZAVZQHADWVDIX-MRXNPFEDSA-N 0 0 436.516 3.525 50 0 IHAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cccc(Cl)c1 ZINC000009118362 569503316 /nfs/dbraw/zinc/50/33/16/569503316.db2.gz UZVVVALHWZMQHH-UHFFFAOYSA-N 0 0 443.956 3.884 50 0 IHAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)Cc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000009119630 569503572 /nfs/dbraw/zinc/50/35/72/569503572.db2.gz IIYFWHGLQYEDPS-UHFFFAOYSA-N 0 0 438.505 3.690 50 0 IHAARN Cc1nc2cc(C(=O)OCCN3C(=O)c4ccccc4C3=O)ccc2n1-c1ccccc1 ZINC000009120733 569503964 /nfs/dbraw/zinc/50/39/64/569503964.db2.gz OQITXHCGPZWASI-UHFFFAOYSA-N 0 0 425.444 3.787 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009120631 569503990 /nfs/dbraw/zinc/50/39/90/569503990.db2.gz ANZGHVBMBVTUED-GOSISDBHSA-N 0 0 442.990 3.696 50 0 IHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000009125169 569504596 /nfs/dbraw/zinc/50/45/96/569504596.db2.gz TWIDCRJYNKDLAV-UHFFFAOYSA-N 0 0 429.455 3.784 50 0 IHAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000009128869 569505534 /nfs/dbraw/zinc/50/55/34/569505534.db2.gz GRERQQLCHKTYOF-UHFFFAOYSA-N 0 0 445.504 3.935 50 0 IHAARN COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(F)cc2)cc1OC ZINC000009129978 569505933 /nfs/dbraw/zinc/50/59/33/569505933.db2.gz WXSIGQGGEMPQST-UHFFFAOYSA-N 0 0 433.443 3.797 50 0 IHAARN COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c1 ZINC000009130266 569506005 /nfs/dbraw/zinc/50/60/05/569506005.db2.gz RXTIMXBQPXTKHI-BWKNWUBXSA-N 0 0 428.444 3.785 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1Cc1ccccc1 ZINC000009130214 569506016 /nfs/dbraw/zinc/50/60/16/569506016.db2.gz CATMQWFRGGWCDM-UHFFFAOYSA-N 0 0 440.521 3.564 50 0 IHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)C3CCCCC3)cc21 ZINC000040454562 569506510 /nfs/dbraw/zinc/50/65/10/569506510.db2.gz SQLZQPPXVNKCQZ-UHFFFAOYSA-N 0 0 429.380 3.701 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000009131542 569506923 /nfs/dbraw/zinc/50/69/23/569506923.db2.gz KBIVZEAFTPGJPI-KRWDZBQOSA-N 0 0 439.512 3.932 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc(OC)c1 ZINC000009152523 569507817 /nfs/dbraw/zinc/50/78/17/569507817.db2.gz XDOXCJNQODPKQB-CQSZACIVSA-N 0 0 430.526 3.582 50 0 IHAARN C[C@H](CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152783 569507875 /nfs/dbraw/zinc/50/78/75/569507875.db2.gz LKCXYAZQNLIOIJ-HUUCEWRRSA-N 0 0 438.615 3.901 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152719 569507891 /nfs/dbraw/zinc/50/78/91/569507891.db2.gz OTITVTKWFWAUJB-SNVBAGLBSA-N 0 0 442.921 3.714 50 0 IHAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153162 569507984 /nfs/dbraw/zinc/50/79/84/569507984.db2.gz YTRRXXXEZQVEFS-UHFFFAOYSA-N 0 0 449.532 3.592 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 ZINC000009159748 569508620 /nfs/dbraw/zinc/50/86/20/569508620.db2.gz KCWWJCGIVTXAJS-RCXJIHSJSA-N 0 0 438.568 3.688 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 ZINC000009169926 569509225 /nfs/dbraw/zinc/50/92/25/569509225.db2.gz 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O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009217809 569512305 /nfs/dbraw/zinc/51/23/05/569512305.db2.gz ANWOBIWGDTXUPR-NZQKXSOJSA-N 0 0 434.536 3.665 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3F)CC2)cc1 ZINC000009222721 569512793 /nfs/dbraw/zinc/51/27/93/569512793.db2.gz WNMBLYDEOFDEOU-UHFFFAOYSA-N 0 0 438.908 3.721 50 0 IHAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009222876 569512821 /nfs/dbraw/zinc/51/28/21/569512821.db2.gz WEBYSRLDRHJCFZ-BLLLJJGKSA-N 0 0 438.899 3.683 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000009226014 569513228 /nfs/dbraw/zinc/51/32/28/569513228.db2.gz RQZYHLYWIIYJCX-UHFFFAOYSA-N 0 0 449.330 3.690 50 0 IHAARN CCc1ccccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009226357 569513297 /nfs/dbraw/zinc/51/32/97/569513297.db2.gz CSQKATMIELUADB-ZIAGYGMSSA-N 0 0 432.567 3.730 50 0 IHAARN Cc1ccc(N(C)C(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009226493 569513308 /nfs/dbraw/zinc/51/33/08/569513308.db2.gz WAEIPPOVGHBHJR-HUUCEWRRSA-N 0 0 432.567 3.501 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 ZINC000009238484 569514343 /nfs/dbraw/zinc/51/43/43/569514343.db2.gz UZEGDIKKXKRMQF-UXHICEINSA-N 0 0 435.553 3.725 50 0 IHAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000009238863 569514413 /nfs/dbraw/zinc/51/44/13/569514413.db2.gz ABUSZXOLQFQYOF-UXHICEINSA-N 0 0 447.520 3.622 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000009239254 569514520 /nfs/dbraw/zinc/51/45/20/569514520.db2.gz MNOMTZNJRFIDJS-SMDDNHRTSA-N 0 0 439.379 3.737 50 0 IHAARN CCOc1ccc(-c2ccc3nnc(SCC(=O)Nc4nc(C)cs4)n3n2)cc1 ZINC000009240942 569514584 /nfs/dbraw/zinc/51/45/84/569514584.db2.gz VCGGAGOTYVMCPT-UHFFFAOYSA-N 0 0 426.527 3.686 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn32)c1 ZINC000009240970 569514627 /nfs/dbraw/zinc/51/46/27/569514627.db2.gz LZXPIVXFEXCKTH-UHFFFAOYSA-N 0 0 432.509 3.789 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2)n3C)cc1 ZINC000009243228 569514871 /nfs/dbraw/zinc/51/48/71/569514871.db2.gz UTMPLHDPKXMILZ-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000009249734 569515518 /nfs/dbraw/zinc/51/55/18/569515518.db2.gz VCLVNHKGVAGZNH-INIZCTEOSA-N 0 0 427.913 3.906 50 0 IHAARN C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009253933 569516286 /nfs/dbraw/zinc/51/62/86/569516286.db2.gz RKRRBZBWTOLITM-JTQLQIEISA-N 0 0 439.781 3.519 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000009254848 569516445 /nfs/dbraw/zinc/51/64/45/569516445.db2.gz SQAJYPUQJXXKKP-JOCHJYFZSA-N 0 0 447.520 3.529 50 0 IHAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000009254758 569516446 /nfs/dbraw/zinc/51/64/46/569516446.db2.gz MIVAQRIIGPNGDD-UHFFFAOYSA-N 0 0 438.549 3.685 50 0 IHAARN CCOc1ccc(Oc2ccc(NC(=O)CNS(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000009255150 569516527 /nfs/dbraw/zinc/51/65/27/569516527.db2.gz YCHIEGUJKIQULD-UHFFFAOYSA-N 0 0 444.484 3.934 50 0 IHAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1=O ZINC000009255953 569516629 /nfs/dbraw/zinc/51/66/29/569516629.db2.gz SCUPGZYMIJIXJC-QGZVFWFLSA-N 0 0 438.915 3.975 50 0 IHAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1=O ZINC000009255955 569516671 /nfs/dbraw/zinc/51/66/71/569516671.db2.gz SCUPGZYMIJIXJC-KRWDZBQOSA-N 0 0 438.915 3.975 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c1C ZINC000009256102 569516719 /nfs/dbraw/zinc/51/67/19/569516719.db2.gz WWNLOJXYDOCMPD-UHFFFAOYSA-N 0 0 445.545 3.885 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000009257306 569516835 /nfs/dbraw/zinc/51/68/35/569516835.db2.gz VTLBPCZMJYAVIV-MRXNPFEDSA-N 0 0 433.537 3.853 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 ZINC000009260350 569516867 /nfs/dbraw/zinc/51/68/67/569516867.db2.gz MJFLPRMTGXUIEP-HXUWFJFHSA-N 0 0 439.493 3.651 50 0 IHAARN COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccc(C)c(C)c2)n1C ZINC000009262176 569517057 /nfs/dbraw/zinc/51/70/57/569517057.db2.gz YRQDZOIMWZCZCR-UHFFFAOYSA-N 0 0 426.542 3.793 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000009263341 569517151 /nfs/dbraw/zinc/51/71/51/569517151.db2.gz SPRCXLFEUAZYQX-RYUDHWBXSA-N 0 0 448.549 3.504 50 0 IHAARN CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000009263732 569517183 /nfs/dbraw/zinc/51/71/83/569517183.db2.gz OIZFKPGLCKYTGP-ZDUSSCGKSA-N 0 0 435.981 3.593 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264082 569517283 /nfs/dbraw/zinc/51/72/83/569517283.db2.gz SHTTXNQRBLYGFZ-CQSZACIVSA-N 0 0 444.586 3.672 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000009264026 569517299 /nfs/dbraw/zinc/51/72/99/569517299.db2.gz BBMWOOSGDQDSJS-LBPRGKRZSA-N 0 0 448.549 3.503 50 0 IHAARN Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(CC(=O)Nc3ccccc3F)c2n1 ZINC000009268034 569517502 /nfs/dbraw/zinc/51/75/02/569517502.db2.gz QVLWTDCPTFRWQW-UHFFFAOYSA-N 0 0 433.414 3.853 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000009269169 569517602 /nfs/dbraw/zinc/51/76/02/569517602.db2.gz YBUJZJVSNDULGN-GOSISDBHSA-N 0 0 428.510 3.673 50 0 IHAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccc(OC)c(OC)c1 ZINC000009288929 569519472 /nfs/dbraw/zinc/51/94/72/569519472.db2.gz RMPUDKONEOCCQZ-UHFFFAOYSA-N 0 0 445.479 3.667 50 0 IHAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)c1 ZINC000009291930 569519917 /nfs/dbraw/zinc/51/99/17/569519917.db2.gz UEEWQXWRWFFPTO-RPWUZVMVSA-N 0 0 439.475 3.903 50 0 IHAARN COc1ccc(OC)c([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)c1 ZINC000009291929 569519921 /nfs/dbraw/zinc/51/99/21/569519921.db2.gz UEEWQXWRWFFPTO-DNQXCXABSA-N 0 0 439.475 3.903 50 0 IHAARN COC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000009302935 569520938 /nfs/dbraw/zinc/52/09/38/569520938.db2.gz SJRIYNSOBILUFG-UHFFFAOYSA-N 0 0 427.478 3.764 50 0 IHAARN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000069843078 569521267 /nfs/dbraw/zinc/52/12/67/569521267.db2.gz SOVIZBPPYCGRHU-JOCHJYFZSA-N 0 0 435.634 3.535 50 0 IHAARN CC(=O)N[C@H](CSc1cc(C)nc2ccc(Br)cc21)C(=O)OC(C)C ZINC000009309708 569521662 /nfs/dbraw/zinc/52/16/62/569521662.db2.gz AVSXWJXDSKAHJG-MRXNPFEDSA-N 0 0 425.348 3.854 50 0 IHAARN COc1ccc(N2C[C@H](c3nc(-c4ccc(OC)c(OC)c4)no3)CC2=O)cc1Cl ZINC000009318489 569522453 /nfs/dbraw/zinc/52/24/53/569522453.db2.gz GTHFJDDJKRZPII-CYBMUJFWSA-N 0 0 429.860 3.936 50 0 IHAARN CCCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CCN(C(=O)NC(C)(C)C)C3)c1C ZINC000069899723 569522990 /nfs/dbraw/zinc/52/29/90/569522990.db2.gz KLVJUNVUSCGXBW-UHFFFAOYSA-N 0 0 440.592 3.750 50 0 IHAARN COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 ZINC000009335024 569523315 /nfs/dbraw/zinc/52/33/15/569523315.db2.gz VLGCBTDXYBZAHN-MOSHPQCFSA-N 0 0 430.460 3.511 50 0 IHAARN CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccc(OC)cc1 ZINC000009348150 569524376 /nfs/dbraw/zinc/52/43/76/569524376.db2.gz KBLQDQZPOWBJLB-LJQANCHMSA-N 0 0 443.463 3.556 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)C(=O)[C@@H]2C)cc1 ZINC000009349526 569524768 /nfs/dbraw/zinc/52/47/68/569524768.db2.gz VIKGNFMVZQJDLN-QFBILLFUSA-N 0 0 446.463 3.716 50 0 IHAARN CC[C@H](C)NC(=O)CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@H]1CCCO1 ZINC000009349561 569524784 /nfs/dbraw/zinc/52/47/84/569524784.db2.gz JYAZHQYTOWSNMI-OENHWUDKSA-N 0 0 435.977 3.706 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1)c1ccccc1 ZINC000069946675 569524927 /nfs/dbraw/zinc/52/49/27/569524927.db2.gz NIAIHANEVZRFMN-UHFFFAOYSA-N 0 0 434.540 3.739 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 ZINC000009364649 569526083 /nfs/dbraw/zinc/52/60/83/569526083.db2.gz OEOSWJHXSHYYHJ-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c(OC)c1 ZINC000009365792 569526187 /nfs/dbraw/zinc/52/61/87/569526187.db2.gz FCDOPSRQSDGEJI-UHFFFAOYSA-N 0 0 448.501 3.678 50 0 IHAARN C[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2 ZINC000009365867 569526189 /nfs/dbraw/zinc/52/61/89/569526189.db2.gz LXWTZHSOIVQTKN-AWEZNQCLSA-N 0 0 433.489 3.731 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009366477 569526247 /nfs/dbraw/zinc/52/62/47/569526247.db2.gz MBMHPHJYTJUVRR-INIZCTEOSA-N 0 0 426.542 3.605 50 0 IHAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)s1 ZINC000009367095 569526402 /nfs/dbraw/zinc/52/64/02/569526402.db2.gz RLDSIBJEXYZPBY-UHFFFAOYSA-N 0 0 442.551 3.834 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(Cl)cc4)nn32)cc1OC ZINC000041076496 569526428 /nfs/dbraw/zinc/52/64/28/569526428.db2.gz SASIWEPUFNRRTK-UHFFFAOYSA-N 0 0 445.888 3.541 50 0 IHAARN Cc1ccccc1-n1c(SCc2nnc(-c3ccccc3)o2)nnc1N1CCOCC1 ZINC000009367806 569526488 /nfs/dbraw/zinc/52/64/88/569526488.db2.gz IYPQEBAZQITPIU-UHFFFAOYSA-N 0 0 434.525 3.755 50 0 IHAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)o2)cc1 ZINC000069981044 569526920 /nfs/dbraw/zinc/52/69/20/569526920.db2.gz IYQGJQMCXVMXGC-HXUWFJFHSA-N 0 0 449.511 3.917 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000009372966 569526966 /nfs/dbraw/zinc/52/69/66/569526966.db2.gz SFWMOCLKJUMKJH-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000009376425 569527349 /nfs/dbraw/zinc/52/73/49/569527349.db2.gz XHEJCEKZJXGSSH-JTQLQIEISA-N 0 0 435.556 3.668 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009376956 569527388 /nfs/dbraw/zinc/52/73/88/569527388.db2.gz LACNOOAHYNLRFB-OAHLLOKOSA-N 0 0 438.484 3.658 50 0 IHAARN Cn1c2ccccc2c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1-c1ccccc1 ZINC000009379425 569527693 /nfs/dbraw/zinc/52/76/93/569527693.db2.gz JALZLUUVVYIPRG-UHFFFAOYSA-N 0 0 430.485 3.873 50 0 IHAARN CCOc1ccccc1[C@H]1CC(c2ccc(NS(=O)(=O)CC)cc2)=NN1C(=O)CC ZINC000009382186 569528246 /nfs/dbraw/zinc/52/82/46/569528246.db2.gz WRYKZXYBUGWQOB-HXUWFJFHSA-N 0 0 429.542 3.935 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1c[nH]c2ccccc21 ZINC000009382316 569528280 /nfs/dbraw/zinc/52/82/80/569528280.db2.gz SVBZUHMJAOEBMX-UHFFFAOYSA-N 0 0 425.489 3.943 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000009404854 569529756 /nfs/dbraw/zinc/52/97/56/569529756.db2.gz TWXHLOSCOJHAHK-UHFFFAOYSA-N 0 0 443.525 3.595 50 0 IHAARN CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000009405018 569529769 /nfs/dbraw/zinc/52/97/69/569529769.db2.gz DMMREIRAISPGIO-UHFFFAOYSA-N 0 0 436.946 3.967 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2nccnc2c(=O)n1CCC(C)C ZINC000009405264 569529821 /nfs/dbraw/zinc/52/98/21/569529821.db2.gz VLDCTONNSAFHAM-UHFFFAOYSA-N 0 0 447.948 3.625 50 0 IHAARN O=c1c2nccnc2nc(SCc2ccccc2Cl)n1Cc1ccc2c(c1)OCO2 ZINC000009405315 569529849 /nfs/dbraw/zinc/52/98/49/569529849.db2.gz WHSWFNIDGAORHS-UHFFFAOYSA-N 0 0 438.896 3.909 50 0 IHAARN Cc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)c(C)c1 ZINC000009407264 569530220 /nfs/dbraw/zinc/53/02/20/569530220.db2.gz NFZQXOYQBNYYRA-UHFFFAOYSA-N 0 0 437.584 3.993 50 0 IHAARN O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000009407563 569530260 /nfs/dbraw/zinc/53/02/60/569530260.db2.gz MXGVPHXROLLICR-UHFFFAOYSA-N 0 0 432.911 3.742 50 0 IHAARN COC(=O)c1ccccc1-n1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C ZINC000009409445 569531040 /nfs/dbraw/zinc/53/10/40/569531040.db2.gz MSQSOJBMFRROHV-UHFFFAOYSA-N 0 0 445.519 3.779 50 0 IHAARN CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2ccnc2C)n3C)cc1 ZINC000009410731 569531396 /nfs/dbraw/zinc/53/13/96/569531396.db2.gz FYGVFINAAMHBRQ-UHFFFAOYSA-N 0 0 430.512 3.922 50 0 IHAARN S=C1N=NC(Cn2c3ccccc3nc2-c2ccccn2)N1c1ccc2c(c1)OCO2 ZINC000009410897 569531449 /nfs/dbraw/zinc/53/14/49/569531449.db2.gz SMQROSWDFOCERK-UHFFFAOYSA-N 0 0 428.477 3.745 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000009410915 569531452 /nfs/dbraw/zinc/53/14/52/569531452.db2.gz AJOIFOSANPRCTO-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@](=O)C2 ZINC000009413533 569531752 /nfs/dbraw/zinc/53/17/52/569531752.db2.gz CWKUXPYJEWKKMQ-AREMUKBSSA-N 0 0 430.327 3.958 50 0 IHAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1OC ZINC000009413943 569531864 /nfs/dbraw/zinc/53/18/64/569531864.db2.gz PTJDUAIWVPUSJY-GDLZYMKVSA-N 0 0 431.901 3.558 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000009414394 569532035 /nfs/dbraw/zinc/53/20/35/569532035.db2.gz KKKCIGCXZXAUTD-UHFFFAOYSA-N 0 0 444.509 3.892 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)c1 ZINC000009415081 569532114 /nfs/dbraw/zinc/53/21/14/569532114.db2.gz QNJNOCMGIAJQMR-UHFFFAOYSA-N 0 0 435.509 3.848 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c(OC)c1 ZINC000009415021 569532121 /nfs/dbraw/zinc/53/21/21/569532121.db2.gz LBHPWPGMTLSQDW-UHFFFAOYSA-N 0 0 439.472 3.678 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1OC ZINC000009415026 569532128 /nfs/dbraw/zinc/53/21/28/569532128.db2.gz AQBNFUQLUZMCLG-UHFFFAOYSA-N 0 0 439.472 3.678 50 0 IHAARN Cc1ccnc(SCc2nc3cc(NC(=O)[C@@H]4COc5ccccc5O4)ccc3n2C)n1 ZINC000009420623 569532689 /nfs/dbraw/zinc/53/26/89/569532689.db2.gz MDXKIIJMSXKUSE-FQEVSTJZSA-N 0 0 447.520 3.743 50 0 IHAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)n5)c4ncn3n2)cc1OC ZINC000009421873 569532765 /nfs/dbraw/zinc/53/27/65/569532765.db2.gz IIAZONMKNYONPL-UHFFFAOYSA-N 0 0 428.496 3.996 50 0 IHAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCc3cccnc3)ccc2c1=O ZINC000009422148 569532819 /nfs/dbraw/zinc/53/28/19/569532819.db2.gz LMMMKPACPVIMMC-UHFFFAOYSA-N 0 0 446.459 3.993 50 0 IHAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccccn4)ccc3c2=O)cc1 ZINC000009422132 569532862 /nfs/dbraw/zinc/53/28/62/569532862.db2.gz FVGZCCFUWLLTGI-UHFFFAOYSA-N 0 0 446.459 3.993 50 0 IHAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2ccccc2)CC1 ZINC000009423618 569533006 /nfs/dbraw/zinc/53/30/06/569533006.db2.gz OMJKUNQHZJMFCZ-UHFFFAOYSA-N 0 0 440.503 3.573 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000009426089 569533276 /nfs/dbraw/zinc/53/32/76/569533276.db2.gz UPGIDZCNBPDUIR-GOSISDBHSA-N 0 0 430.570 3.621 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000009426084 569533282 /nfs/dbraw/zinc/53/32/82/569533282.db2.gz BNMZSDUNQOXWJC-UHFFFAOYSA-N 0 0 443.352 3.717 50 0 IHAARN COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000009426087 569533288 /nfs/dbraw/zinc/53/32/88/569533288.db2.gz AXUTZGCESMHGKQ-UHFFFAOYSA-N 0 0 448.610 3.700 50 0 IHAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12 ZINC000009428231 569533492 /nfs/dbraw/zinc/53/34/92/569533492.db2.gz DFTNYXHPTPEUKG-UHFFFAOYSA-N 0 0 444.915 3.715 50 0 IHAARN COc1ccc2c(CC(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)coc2c1 ZINC000009428790 569533616 /nfs/dbraw/zinc/53/36/16/569533616.db2.gz QTAIVMHYFDGGBV-UHFFFAOYSA-N 0 0 436.464 3.590 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)cc2NC1=O ZINC000009429976 569533804 /nfs/dbraw/zinc/53/38/04/569533804.db2.gz MRIVMVAVIYQIFW-MRXNPFEDSA-N 0 0 438.958 3.965 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2NC1=O ZINC000009430105 569533907 /nfs/dbraw/zinc/53/39/07/569533907.db2.gz OHOOLBUTSFJQDP-SFHVURJKSA-N 0 0 432.567 3.929 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000009431381 569534142 /nfs/dbraw/zinc/53/41/42/569534142.db2.gz JYJIWHZEQAYAMI-UKRRQHHQSA-N 0 0 446.352 3.878 50 0 IHAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCOC ZINC000009431973 569534322 /nfs/dbraw/zinc/53/43/22/569534322.db2.gz OKHSGOGCDWPTGG-AREMUKBSSA-N 0 0 446.503 3.594 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000009438597 569534944 /nfs/dbraw/zinc/53/49/44/569534944.db2.gz NLOZXSZNSGOTSN-UHFFFAOYSA-N 0 0 432.571 3.778 50 0 IHAARN CCCCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1OC ZINC000009441015 569535339 /nfs/dbraw/zinc/53/53/39/569535339.db2.gz SVIGEQWYUFYWRL-FQEVSTJZSA-N 0 0 436.574 3.637 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OCC)c1OCC ZINC000009441421 569535378 /nfs/dbraw/zinc/53/53/78/569535378.db2.gz CJMTXDOBISGCMT-UHFFFAOYSA-N 0 0 444.484 3.637 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 ZINC000009442400 569535523 /nfs/dbraw/zinc/53/55/23/569535523.db2.gz UFIYOUAPVZNCNE-HSZRJFAPSA-N 0 0 439.537 3.699 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000009448461 569536043 /nfs/dbraw/zinc/53/60/43/569536043.db2.gz CFTBNENSPYPWFV-UHFFFAOYSA-N 0 0 439.932 3.742 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)[nH]n2)n1N ZINC000009449629 569536200 /nfs/dbraw/zinc/53/62/00/569536200.db2.gz ORRZUONHFHXLDF-UHFFFAOYSA-N 0 0 433.541 3.651 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000009453654 569536576 /nfs/dbraw/zinc/53/65/76/569536576.db2.gz WAKKXROSUXBBPS-KRWDZBQOSA-N 0 0 442.364 3.897 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1c(C)onc1-c1ccccc1 ZINC000009457809 569536790 /nfs/dbraw/zinc/53/67/90/569536790.db2.gz KLTZJCJQSRFAGT-UHFFFAOYSA-N 0 0 449.507 3.993 50 0 IHAARN CCOc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cs2)cc1 ZINC000009460131 569536896 /nfs/dbraw/zinc/53/68/96/569536896.db2.gz YKNQDSORSNMIDV-HSZRJFAPSA-N 0 0 435.505 3.939 50 0 IHAARN Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000009463423 569537475 /nfs/dbraw/zinc/53/74/75/569537475.db2.gz MXSYZFRVYUVOSC-UHFFFAOYSA-N 0 0 434.583 3.599 50 0 IHAARN O=C(CSc1nnc2n1CCCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009466389 569538147 /nfs/dbraw/zinc/53/81/47/569538147.db2.gz LJLNVQBBIHKIQJ-KRWDZBQOSA-N 0 0 428.558 3.622 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(-n4cnnn4)cc3)ccc21 ZINC000009469787 569538839 /nfs/dbraw/zinc/53/88/39/569538839.db2.gz UBSYWTLCJHBLFL-UHFFFAOYSA-N 0 0 440.463 3.586 50 0 IHAARN O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009470932 569538937 /nfs/dbraw/zinc/53/89/37/569538937.db2.gz KBZBWTMUVHSCIC-UHFFFAOYSA-N 0 0 445.972 3.899 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)cc1 ZINC000009474062 569539061 /nfs/dbraw/zinc/53/90/61/569539061.db2.gz JZOTXWAEFBRTFR-UHFFFAOYSA-N 0 0 443.550 3.966 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000009478711 569539389 /nfs/dbraw/zinc/53/93/89/569539389.db2.gz JPFCXYKTIZDQKH-ZUOKHONESA-N 0 0 441.450 3.933 50 0 IHAARN COc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000009492051 569540509 /nfs/dbraw/zinc/54/05/09/569540509.db2.gz QFNPRKNVIVDJJA-HXUWFJFHSA-N 0 0 444.447 3.699 50 0 IHAARN COc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000009492050 569540529 /nfs/dbraw/zinc/54/05/29/569540529.db2.gz QFNPRKNVIVDJJA-FQEVSTJZSA-N 0 0 444.447 3.699 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000009496409 569541215 /nfs/dbraw/zinc/54/12/15/569541215.db2.gz ZUOCAPRNRJSYGQ-INIZCTEOSA-N 0 0 437.569 3.828 50 0 IHAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009507624 569542086 /nfs/dbraw/zinc/54/20/86/569542086.db2.gz LOMPVVUCWKFKFW-HXUWFJFHSA-N 0 0 436.295 3.798 50 0 IHAARN CCCn1c(S[C@@H](C(=O)NC(=O)NC)c2ccccc2)nc2sc(CC)cc2c1=O ZINC000009508591 569542340 /nfs/dbraw/zinc/54/23/40/569542340.db2.gz AMENOTFOKIAHII-MRXNPFEDSA-N 0 0 444.582 3.719 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3F)o2)c1 ZINC000009508802 569542431 /nfs/dbraw/zinc/54/24/31/569542431.db2.gz QZVIZTWECKHPIV-UHFFFAOYSA-N 0 0 428.489 3.682 50 0 IHAARN COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009509461 569542565 /nfs/dbraw/zinc/54/25/65/569542565.db2.gz KQWGWYWSPVRZRJ-UHFFFAOYSA-N 0 0 441.505 3.741 50 0 IHAARN Cc1ccc([C@@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 ZINC000009509599 569542632 /nfs/dbraw/zinc/54/26/32/569542632.db2.gz WCBBGLPOSVFRTK-CYFREDJKSA-N 0 0 434.517 3.939 50 0 IHAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 ZINC000009512601 569542955 /nfs/dbraw/zinc/54/29/55/569542955.db2.gz PXBSTMWAUFUGCZ-UHFFFAOYSA-N 0 0 433.533 3.801 50 0 IHAARN O=C(Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21)N1CCCCCC1 ZINC000009519475 569544287 /nfs/dbraw/zinc/54/42/87/569544287.db2.gz NOCNIJKRMUOTRG-UHFFFAOYSA-N 0 0 447.491 3.594 50 0 IHAARN CCCCn1nnnc1CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000009534769 569545480 /nfs/dbraw/zinc/54/54/80/569545480.db2.gz IWRUHURENAOJSF-UHFFFAOYSA-N 0 0 449.540 3.801 50 0 IHAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 ZINC000009539895 569545679 /nfs/dbraw/zinc/54/56/79/569545679.db2.gz HKLIFXOQPDLZFN-XMMPIXPASA-N 0 0 435.430 3.593 50 0 IHAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCc1ccc(O)cc1 ZINC000009547902 569546431 /nfs/dbraw/zinc/54/64/31/569546431.db2.gz BRCCGSZEZBXMMQ-UHFFFAOYSA-N 0 0 431.444 3.609 50 0 biogenic IHAARN CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000009561907 569547229 /nfs/dbraw/zinc/54/72/29/569547229.db2.gz LSRIWGHWJOMXTI-QFIPXVFZSA-N 0 0 431.439 3.864 50 0 IHAARN Cc1cccc(C)c1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000009569005 569547528 /nfs/dbraw/zinc/54/75/28/569547528.db2.gz AKTQKENTUIFQQF-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(C)c4C)n3n2)c1 ZINC000009569087 569547565 /nfs/dbraw/zinc/54/75/65/569547565.db2.gz DBNULWRYQZJTPP-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc(NC(C)=O)cc3)cn(C3CC3)c21 ZINC000009575855 569548022 /nfs/dbraw/zinc/54/80/22/569548022.db2.gz NTRRADIUOSHILC-UHFFFAOYSA-N 0 0 427.407 3.834 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3cccc(C)c3)nc2C)c1 ZINC000009578775 569548381 /nfs/dbraw/zinc/54/83/81/569548381.db2.gz MVZROPREFQUXNE-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009579128 569548479 /nfs/dbraw/zinc/54/84/79/569548479.db2.gz QWGJQNYJUDQHFA-UHFFFAOYSA-N 0 0 448.563 3.938 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4cc5cccc(OC)c5o4)CC3)ncn2)cc1 ZINC000070637617 569548936 /nfs/dbraw/zinc/54/89/36/569548936.db2.gz NZLRXJLIWSJAAA-UHFFFAOYSA-N 0 0 444.491 3.869 50 0 IHAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1cccs1 ZINC000070638690 569548997 /nfs/dbraw/zinc/54/89/97/569548997.db2.gz UJZDQAGUNWLKJY-FMIVXFBMSA-N 0 0 431.564 3.816 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000009584295 569549379 /nfs/dbraw/zinc/54/93/79/569549379.db2.gz RQMCFFLWNNBSLP-UHFFFAOYSA-N 0 0 430.839 3.819 50 0 IHAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1 ZINC000070655810 569550066 /nfs/dbraw/zinc/55/00/66/569550066.db2.gz KWIZBGQNWCPZHK-UHFFFAOYSA-N 0 0 437.499 3.880 50 0 IHAARN CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000009598659 569551086 /nfs/dbraw/zinc/55/10/86/569551086.db2.gz HFDCSSAXSIYOES-UHFFFAOYSA-N 0 0 435.505 3.560 50 0 IHAARN Cc1ccc(Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccccc3)c2=O)cc1 ZINC000009598957 569551096 /nfs/dbraw/zinc/55/10/96/569551096.db2.gz VWAJWALXETXSSE-UHFFFAOYSA-N 0 0 447.560 3.678 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3F)c2=O)c(C)c1 ZINC000009598702 569551105 /nfs/dbraw/zinc/55/11/05/569551105.db2.gz ZPESDCXUPXYIGX-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009607960 569552062 /nfs/dbraw/zinc/55/20/62/569552062.db2.gz DZDYIXYFUOPSGW-UHFFFAOYSA-N 0 0 434.464 3.556 50 0 IHAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)NCc4ccccn4)c(C)n3n2)c(OC)c1 ZINC000009610071 569552496 /nfs/dbraw/zinc/55/24/96/569552496.db2.gz RKJDLYDVQZIWHT-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN COC(=O)c1cc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc(C(=O)OC)c1 ZINC000009612104 569552772 /nfs/dbraw/zinc/55/27/72/569552772.db2.gz PLMPRNKHFLTXSK-NRFANRHFSA-N 0 0 431.448 3.734 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCC3)c1ccc(F)cc1 ZINC000009615394 569553192 /nfs/dbraw/zinc/55/31/92/569553192.db2.gz LJBSGUKQBHZZEX-UHFFFAOYSA-N 0 0 434.492 3.784 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nn1 ZINC000009626596 569553530 /nfs/dbraw/zinc/55/35/30/569553530.db2.gz LZHNTUYRBXNSQR-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)=O)c2)cc1 ZINC000009632419 569553963 /nfs/dbraw/zinc/55/39/63/569553963.db2.gz JOWGERWOHDHAEU-UHFFFAOYSA-N 0 0 438.505 3.975 50 0 IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nccs2)ccc1OC ZINC000009632706 569554075 /nfs/dbraw/zinc/55/40/75/569554075.db2.gz QWZZVSRCQTZNDJ-UHFFFAOYSA-N 0 0 431.539 3.615 50 0 IHAARN COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)o2)cc1 ZINC000009639990 569555256 /nfs/dbraw/zinc/55/52/56/569555256.db2.gz FMQVXTJWQHVGPR-UHFFFAOYSA-N 0 0 431.489 3.761 50 0 IHAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3ccc(Cl)cc3)n2)cc1 ZINC000009641258 569555603 /nfs/dbraw/zinc/55/56/03/569555603.db2.gz CZQBRNUVQSBJFU-UHFFFAOYSA-N 0 0 428.901 3.918 50 0 IHAARN Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000009660390 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COc1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C ZINC000009715045 569563026 /nfs/dbraw/zinc/56/30/26/569563026.db2.gz RTFZQROSUYKAED-UHFFFAOYSA-N 0 0 435.505 3.812 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1F ZINC000009715068 569563031 /nfs/dbraw/zinc/56/30/31/569563031.db2.gz FLYKGFRMFFKBGE-UHFFFAOYSA-N 0 0 439.468 3.643 50 0 IHAARN Cc1cc(C2=NNC(=NCc3ccc4c(c3)OCO4)SC2)c(C)n1C[C@H]1CCCO1 ZINC000009715877 569563144 /nfs/dbraw/zinc/56/31/44/569563144.db2.gz MQOYOIRTUFJJRR-QGZVFWFLSA-N 0 0 426.542 3.609 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)cc2C[C@@H]1C ZINC000009721861 569563415 /nfs/dbraw/zinc/56/34/15/569563415.db2.gz TWSCURUOJHKKMR-KRWDZBQOSA-N 0 0 434.602 3.767 50 0 IHAARN Cc1ccc(-n2c3nc(-c4cccc(C(F)(F)F)c4)nc(C(N)=O)c3[nH]c2=O)cc1C ZINC000009739126 569564946 /nfs/dbraw/zinc/56/49/46/569564946.db2.gz ORHMIYORASCYLO-UHFFFAOYSA-N 0 0 427.386 3.510 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009740739 569565177 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3.736 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(OCC)cc3)c2=O)cc1 ZINC000009761474 569566249 /nfs/dbraw/zinc/56/62/49/569566249.db2.gz VZSYBTVYWXGOLB-UHFFFAOYSA-N 0 0 425.510 3.761 50 0 IHAARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009780483 569567498 /nfs/dbraw/zinc/56/74/98/569567498.db2.gz GHODNGGKLMFQPM-ZDUSSCGKSA-N 0 0 448.595 3.595 50 0 IHAARN Cc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(Cl)cc1Cl ZINC000009789009 569568021 /nfs/dbraw/zinc/56/80/21/569568021.db2.gz YIKQHGNFWJOZGL-GIGQVBGESA-N 0 0 427.332 3.772 50 0 IHAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O ZINC000009789157 569568047 /nfs/dbraw/zinc/56/80/47/569568047.db2.gz FHZGOZFPIGSDAG-XMMPIXPASA-N 0 0 435.455 3.530 50 0 IHAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(CC(N)=O)s4)o3)cc2C1 ZINC000009789051 569568064 /nfs/dbraw/zinc/56/80/64/569568064.db2.gz CUOHYRGYFWRDDR-SNVBAGLBSA-N 0 0 433.580 3.987 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)c1ccccc1 ZINC000009792784 569568267 /nfs/dbraw/zinc/56/82/67/569568267.db2.gz TUICPARWHYMZLN-INIZCTEOSA-N 0 0 431.583 3.930 50 0 IHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000009794339 569568370 /nfs/dbraw/zinc/56/83/70/569568370.db2.gz XXQCECFECYVHLC-IBGZPJMESA-N 0 0 437.583 3.705 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)n2)cc1F ZINC000009803251 569568675 /nfs/dbraw/zinc/56/86/75/569568675.db2.gz FHCGOMDVEAMRNK-UHFFFAOYSA-N 0 0 449.529 3.897 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3cccnc32)ccc1C ZINC000009812569 569569100 /nfs/dbraw/zinc/56/91/00/569569100.db2.gz CXPGATYNUUMFOB-QGZVFWFLSA-N 0 0 441.553 3.980 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1-c1nc[nH]n1 ZINC000009813572 569569114 /nfs/dbraw/zinc/56/91/14/569569114.db2.gz RMXPZLTVQAHZNK-UHFFFAOYSA-N 0 0 425.543 3.842 50 0 IHAARN COc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n3n2)cc1 ZINC000009829052 569569890 /nfs/dbraw/zinc/56/98/90/569569890.db2.gz HHVGKKXKZJYXQD-UHFFFAOYSA-N 0 0 433.493 3.733 50 0 IHAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1 ZINC000009829882 569570184 /nfs/dbraw/zinc/57/01/84/569570184.db2.gz CZDRYBFOQYELKL-UHFFFAOYSA-N 0 0 433.533 3.635 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)ccc3C)nn2)cc1 ZINC000009853104 569571485 /nfs/dbraw/zinc/57/14/85/569571485.db2.gz LHYBGKRYBDVORI-UHFFFAOYSA-N 0 0 427.526 3.516 50 0 IHAARN Cc1c(Nc2nc3nonc3nc2Nc2ccc(C)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000009860995 569571939 /nfs/dbraw/zinc/57/19/39/569571939.db2.gz FHZXKPDIGYPIQQ-UHFFFAOYSA-N 0 0 442.483 3.915 50 0 IHAARN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009865429 569572144 /nfs/dbraw/zinc/57/21/44/569572144.db2.gz GSNJMFVOMONLER-UHFFFAOYSA-N 0 0 447.520 3.715 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C ZINC000009865493 569572148 /nfs/dbraw/zinc/57/21/48/569572148.db2.gz FFTJETUPBFDADB-AREMUKBSSA-N 0 0 442.471 3.710 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)OCCO2 ZINC000009871738 569572446 /nfs/dbraw/zinc/57/24/46/569572446.db2.gz GMPFWBROZQQFDV-CQSZACIVSA-N 0 0 442.566 3.891 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1OC ZINC000009906374 569573130 /nfs/dbraw/zinc/57/31/30/569573130.db2.gz USJLTOQOFOPEKZ-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NC1CCCCC1 ZINC000009937608 569573872 /nfs/dbraw/zinc/57/38/72/569573872.db2.gz CJKUOGSEUZMKMF-UHFFFAOYSA-N 0 0 439.581 3.896 50 0 IHAARN O=C(COc1cccc(-n2cnnn2)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009949680 569574261 /nfs/dbraw/zinc/57/42/61/569574261.db2.gz WTYHRVIBRCEXLR-FQEVSTJZSA-N 0 0 448.870 3.665 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)n1 ZINC000009950863 569574393 /nfs/dbraw/zinc/57/43/93/569574393.db2.gz YJRYGNACZHHWCL-MRXNPFEDSA-N 0 0 449.496 3.694 50 0 IHAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009950701 569574410 /nfs/dbraw/zinc/57/44/10/569574410.db2.gz HTFUQLDYMZONGX-UHFFFAOYSA-N 0 0 445.541 3.910 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cncn1-c1ccc(F)cc1 ZINC000009952764 569574618 /nfs/dbraw/zinc/57/46/18/569574618.db2.gz LSZLQBDZWUVTGE-UHFFFAOYSA-N 0 0 442.516 3.828 50 0 IHAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009953644 569574740 /nfs/dbraw/zinc/57/47/40/569574740.db2.gz HSIKIZFLLOGUNK-QFIPXVFZSA-N 0 0 428.554 3.847 50 0 IHAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccc2c(c1)OCO2 ZINC000009957652 569574830 /nfs/dbraw/zinc/57/48/30/569574830.db2.gz MMCVLVMHSCWXFZ-UHFFFAOYSA-N 0 0 434.271 3.861 50 0 IHAARN CCOc1cc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)ccc1OC ZINC000071328478 569575534 /nfs/dbraw/zinc/57/55/34/569575534.db2.gz IZXUWIPFKXQXGG-UHFFFAOYSA-N 0 0 431.286 3.628 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000071328575 569575602 /nfs/dbraw/zinc/57/56/02/569575602.db2.gz QDAAWCUOUSKEJH-HXUWFJFHSA-N 0 0 427.913 3.673 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)OCc3cc(=O)n4c5ccccc5sc4n3)c2O1 ZINC000009961444 569575652 /nfs/dbraw/zinc/57/56/52/569575652.db2.gz HTSDWQXUOQQFGZ-UHFFFAOYSA-N 0 0 436.489 3.745 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961950 569575658 /nfs/dbraw/zinc/57/56/58/569575658.db2.gz MWHQPTBREXYPNW-INIZCTEOSA-N 0 0 429.929 3.928 50 0 IHAARN Cc1cccc(-n2c(SCC(=O)NC(=O)NC3CCCC3)nc3ccccc3c2=O)c1 ZINC000009963728 569575837 /nfs/dbraw/zinc/57/58/37/569575837.db2.gz ZNZHJYKGYIDAGJ-UHFFFAOYSA-N 0 0 436.537 3.555 50 0 IHAARN COc1cccc(N(Cc2ccc(F)cc2Cl)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009969330 569576058 /nfs/dbraw/zinc/57/60/58/569576058.db2.gz PZBOWRZTCMVEPE-ROUUACIJSA-N 0 0 440.949 3.763 50 0 IHAARN Cc1noc(C)c1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009971100 569576243 /nfs/dbraw/zinc/57/62/43/569576243.db2.gz KZEMEUGYHZYFFQ-UHFFFAOYSA-N 0 0 443.481 3.506 50 0 IHAARN COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000009971275 569576245 /nfs/dbraw/zinc/57/62/45/569576245.db2.gz AOTOBTNDKRWPLR-QFIPXVFZSA-N 0 0 425.485 3.837 50 0 IHAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000009971996 569576352 /nfs/dbraw/zinc/57/63/52/569576352.db2.gz JOBKIPLYEJEMHH-ZHALLVOQSA-N 0 0 446.569 3.507 50 0 IHAARN COc1ccc([C@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009972166 569576385 /nfs/dbraw/zinc/57/63/85/569576385.db2.gz LQWWXTBVPMVHDW-QFIPXVFZSA-N 0 0 437.521 3.932 50 0 IHAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc(O)cc1O ZINC000009983721 569576587 /nfs/dbraw/zinc/57/65/87/569576587.db2.gz CATUMCZAMITYQI-UHFFFAOYSA-N 0 0 447.490 3.860 50 0 IHAARN CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C ZINC000009988341 569576822 /nfs/dbraw/zinc/57/68/22/569576822.db2.gz VCXYVTNRODRWBR-UHFFFAOYSA-N 0 0 429.933 3.834 50 0 IHAARN CCCNC(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 ZINC000010004037 569577011 /nfs/dbraw/zinc/57/70/11/569577011.db2.gz KEHMFTMBRDBDMH-ZHZULCJRSA-N 0 0 435.524 3.976 50 0 IHAARN CCOC(=O)c1sc2nc(C)n(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c2c1C ZINC000010013052 569577078 /nfs/dbraw/zinc/57/70/78/569577078.db2.gz RWMNXDNQRPLARP-UHFFFAOYSA-N 0 0 433.917 3.852 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1OCC ZINC000010021498 569577187 /nfs/dbraw/zinc/57/71/87/569577187.db2.gz USXLWXZDFKTHIW-UHFFFAOYSA-N 0 0 438.524 3.800 50 0 IHAARN O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccco1 ZINC000010030983 569577344 /nfs/dbraw/zinc/57/73/44/569577344.db2.gz AWNGAXRNFOXUEQ-UHFFFAOYSA-N 0 0 439.493 3.569 50 0 IHAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cn1 ZINC000010035081 569577389 /nfs/dbraw/zinc/57/73/89/569577389.db2.gz HAOQJKRAXMWWNH-UHFFFAOYSA-N 0 0 445.136 3.742 50 0 IHAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000010054369 569577554 /nfs/dbraw/zinc/57/75/54/569577554.db2.gz RDDMRONUELSXCW-UHFFFAOYSA-N 0 0 427.464 3.916 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000010078185 569577695 /nfs/dbraw/zinc/57/76/95/569577695.db2.gz JEXAJDVURQFJGR-SNVBAGLBSA-N 0 0 436.839 3.673 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c(C)n2n1 ZINC000010109529 569577957 /nfs/dbraw/zinc/57/79/57/569577957.db2.gz PXTLXNPYGNWTIR-INIZCTEOSA-N 0 0 438.582 3.979 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccccc1F ZINC000010166137 569578161 /nfs/dbraw/zinc/57/81/61/569578161.db2.gz ILXDEXNJHMNZSX-NRFANRHFSA-N 0 0 448.494 3.796 50 0 IHAARN COc1ccc(CC[NH2+][C@@H](CC(=O)Nc2c(Cl)cccc2Cl)C(=O)[O-])cc1OC ZINC000010186416 569578382 /nfs/dbraw/zinc/57/83/82/569578382.db2.gz COLBQHKJUNIYKO-HNNXBMFYSA-N 0 0 441.311 3.625 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2 ZINC000010186673 569578443 /nfs/dbraw/zinc/57/84/43/569578443.db2.gz GKCZTMZLHYPTON-UHFFFAOYSA-N 0 0 439.537 3.811 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1cccc(Cl)c1 ZINC000010186735 569578489 /nfs/dbraw/zinc/57/84/89/569578489.db2.gz VGTVKXQVXVKYJL-UHFFFAOYSA-N 0 0 440.956 3.950 50 0 IHAARN O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000010251316 569579825 /nfs/dbraw/zinc/57/98/25/569579825.db2.gz YBTKHVINXPROIL-UHFFFAOYSA-N 0 0 433.899 3.818 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)CC2=O)c1 ZINC000010264968 569580027 /nfs/dbraw/zinc/58/00/27/569580027.db2.gz WPXNKTZPTUVNKN-AWEZNQCLSA-N 0 0 439.489 3.625 50 0 IHAARN CCSc1nn(CC(=O)Nc2cccc(C)c2C)c(N)c1S(=O)(=O)c1ccccc1 ZINC000010272655 569580231 /nfs/dbraw/zinc/58/02/31/569580231.db2.gz URFHGQGNFIBBNY-UHFFFAOYSA-N 0 0 444.582 3.666 50 0 IHAARN CCSc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000010272778 569580233 /nfs/dbraw/zinc/58/02/33/569580233.db2.gz ZMNHLCRKEXIONH-UHFFFAOYSA-N 0 0 444.582 3.666 50 0 IHAARN CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000010285031 569580443 /nfs/dbraw/zinc/58/04/43/569580443.db2.gz NBYSTQYNYZXNBQ-IBGZPJMESA-N 0 0 447.553 3.683 50 0 IHAARN CCOc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1 ZINC000071768393 569580693 /nfs/dbraw/zinc/58/06/93/569580693.db2.gz YBHXPIFZKRZEQO-UHFFFAOYSA-N 0 0 446.511 3.944 50 0 IHAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)nc2)n1 ZINC000071768352 569580695 /nfs/dbraw/zinc/58/06/95/569580695.db2.gz PJKKQOWLKOPYNZ-UHFFFAOYSA-N 0 0 442.401 3.829 50 0 IHAARN COc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1 ZINC000071768390 569580709 /nfs/dbraw/zinc/58/07/09/569580709.db2.gz CBTNAXJMYYPETE-UHFFFAOYSA-N 0 0 432.484 3.553 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)cc1OC ZINC000071769000 569580822 /nfs/dbraw/zinc/58/08/22/569580822.db2.gz YNKCQBSOLWGAPQ-UHFFFAOYSA-N 0 0 435.524 3.943 50 0 IHAARN Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2s1 ZINC000010337402 569581244 /nfs/dbraw/zinc/58/12/44/569581244.db2.gz DNAASOWAVATUQG-UHFFFAOYSA-N 0 0 433.530 3.783 50 0 IHAARN CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000010337326 569581297 /nfs/dbraw/zinc/58/12/97/569581297.db2.gz QATPDIRFJGNDNO-UHFFFAOYSA-N 0 0 449.573 3.828 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cccnc4)cs3)CC2)cc1 ZINC000010337578 569581327 /nfs/dbraw/zinc/58/13/27/569581327.db2.gz PNBOPPFYXPRTIW-UHFFFAOYSA-N 0 0 442.566 3.553 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccccn4)cs3)CC2)cc1 ZINC000010337598 569581329 /nfs/dbraw/zinc/58/13/29/569581329.db2.gz AVPLFYFZZOMQDT-UHFFFAOYSA-N 0 0 442.566 3.553 50 0 IHAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N32)cc1Cl ZINC000010433583 569582082 /nfs/dbraw/zinc/58/20/82/569582082.db2.gz QIZUHOUSASRIDT-LLVKDONJSA-N 0 0 428.901 3.699 50 0 IHAARN CCN(Cc1cc2ccc(C)cc2nc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431394 569582114 /nfs/dbraw/zinc/58/21/14/569582114.db2.gz RHZPCTJLMLBTCE-UHFFFAOYSA-N 0 0 449.942 3.704 50 0 IHAARN O=C(Cc1csc(Cc2ccccc2)n1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000071839219 569582183 /nfs/dbraw/zinc/58/21/83/569582183.db2.gz NKFLFVHJRSFJHC-UHFFFAOYSA-N 0 0 425.598 3.964 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000010444569 569582259 /nfs/dbraw/zinc/58/22/59/569582259.db2.gz BXPOHYWGWBQWQA-UHFFFAOYSA-N 0 0 433.552 3.725 50 0 IHAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000010456090 569582366 /nfs/dbraw/zinc/58/23/66/569582366.db2.gz BMULWCQMULXHOM-UHFFFAOYSA-N 0 0 446.550 3.947 50 0 IHAARN O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc[nH]n1 ZINC000524732693 569583261 /nfs/dbraw/zinc/58/32/61/569583261.db2.gz JQMQRDHHKLMRFJ-JOCHJYFZSA-N 0 0 429.480 3.724 50 0 IHAARN COC(=O)c1nc(NC(=O)CCN2Cc3ccccc3C2=O)sc1Cc1ccccc1 ZINC000072405379 569583681 /nfs/dbraw/zinc/58/36/81/569583681.db2.gz QDGQMIDHGVRRDR-UHFFFAOYSA-N 0 0 435.505 3.505 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)nc1C ZINC000040288068 569584348 /nfs/dbraw/zinc/58/43/48/569584348.db2.gz BXYLPADBAMUVMH-UHFFFAOYSA-N 0 0 432.429 3.552 50 0 IHAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC000077100895 569585467 /nfs/dbraw/zinc/58/54/67/569585467.db2.gz RSTABPOXQXMODV-KRWDZBQOSA-N 0 0 437.931 3.863 50 0 IHAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cccc3ccccc32)cc1 ZINC000077118164 569585676 /nfs/dbraw/zinc/58/56/76/569585676.db2.gz QSOVZGSJGLVCEM-QFIPXVFZSA-N 0 0 426.538 3.836 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2cccc3ccccc32)cc1 ZINC000077117464 569585687 /nfs/dbraw/zinc/58/56/87/569585687.db2.gz GXQWSCRKAAMBKG-HSZRJFAPSA-N 0 0 440.565 3.724 50 0 IHAARN Cn1nc(C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n(C2CC2)c1=O ZINC000077148626 569585752 /nfs/dbraw/zinc/58/57/52/569585752.db2.gz CRQWHHWVFKPZAO-UHFFFAOYSA-N 0 0 430.552 3.845 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000077191769 569585959 /nfs/dbraw/zinc/58/59/59/569585959.db2.gz MKTSNOGSQRAVAR-UHFFFAOYSA-N 0 0 435.427 3.796 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000077196681 569586096 /nfs/dbraw/zinc/58/60/96/569586096.db2.gz GEEGXKJNOUVIHM-UHFFFAOYSA-N 0 0 427.871 3.635 50 0 IHAARN Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc4ncsc4c2)CC3)no1 ZINC000077196441 569586120 /nfs/dbraw/zinc/58/61/20/569586120.db2.gz HNISGCNLFOFTEK-UHFFFAOYSA-N 0 0 425.495 3.500 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077197715 569586218 /nfs/dbraw/zinc/58/62/18/569586218.db2.gz OOWJANUKQAIDDZ-GFCCVEGCSA-N 0 0 442.825 3.501 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000077200268 569586386 /nfs/dbraw/zinc/58/63/86/569586386.db2.gz ODQAOTQSADTZOX-WMZOPIPTSA-N 0 0 434.514 3.542 50 0 IHAARN COc1cccc2sc(N3CC(OC(=O)c4cccc(S(=O)(=O)C(C)C)c4)C3)nc21 ZINC000077200606 569586476 /nfs/dbraw/zinc/58/64/76/569586476.db2.gz KMNGLXUJMNBLNE-UHFFFAOYSA-N 0 0 446.550 3.533 50 0 IHAARN C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN(C)Cc1ccccc1 ZINC000035991767 569587784 /nfs/dbraw/zinc/58/77/84/569587784.db2.gz PMIMIWJTEFQJLE-NRFANRHFSA-N 0 0 425.554 3.950 50 0 IHAARN CCOC(=O)C1=C(Nc2ccc(OC)cc2OC)SC(=Cc2ccc(O)cc2)C1=O ZINC000036301434 569588014 /nfs/dbraw/zinc/58/80/14/569588014.db2.gz WIRBWPNAYZDHMX-WOJGMQOQSA-N 0 0 427.478 3.953 50 0 IHAARN COC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2ccc(OC)cc2O)C1=O ZINC000036257619 569588018 /nfs/dbraw/zinc/58/80/18/569588018.db2.gz CKLJJDFPFPXFFF-GIJQJNRQSA-N 0 0 443.477 3.572 50 0 IHAARN CCOCCOc1cnn(-c2ccccc2)c(=O)c1Nc1cccc(C(=O)N2CCCC2)c1 ZINC000040400926 569588104 /nfs/dbraw/zinc/58/81/04/569588104.db2.gz FMSBORGVKINWDZ-UHFFFAOYSA-N 0 0 448.523 3.627 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000000944454 536641691 /nfs/dbraw/zinc/64/16/91/536641691.db2.gz YIBMEGTWXQLTJP-UHFFFAOYSA-N 0 0 439.375 3.585 50 0 IHAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000000753040 291367090 /nfs/dbraw/zinc/36/70/90/291367090.db2.gz PZTQKEPOQFVJTF-OAHLLOKOSA-N 0 0 442.265 3.813 50 0 biogenic,in-vitro IHAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000070698548 291367107 /nfs/dbraw/zinc/36/71/07/291367107.db2.gz FPDXMWHJGOCDQJ-HZAMXZRMSA-N 0 0 436.633 3.927 50 0 biogenic,in-vitro IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000000641794 193867835 /nfs/dbraw/zinc/86/78/35/193867835.db2.gz SNKICBVDGCGPKE-UHFFFAOYSA-N 0 0 432.432 3.764 50 0 IHAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1 ZINC000000639286 193867241 /nfs/dbraw/zinc/86/72/41/193867241.db2.gz ZOUHQPKZAMRILQ-INIZCTEOSA-N 0 0 425.076 3.624 50 0 IHAARN CN1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006174029 193888045 /nfs/dbraw/zinc/88/80/45/193888045.db2.gz KUYBIRBICYKWAX-UHFFFAOYSA-N 0 0 435.908 3.719 50 0 IHAARN CCOc1ccccc1C(=O)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000009833978 193900638 /nfs/dbraw/zinc/90/06/38/193900638.db2.gz JBFGSXFORDFTPQ-INIZCTEOSA-N 0 0 436.327 3.805 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3nc(-c4cccs4)oc3=O)[C@H](c3ccco3)C2)cc1 ZINC000009834359 193900799 /nfs/dbraw/zinc/90/07/99/193900799.db2.gz ZOIKEEIKHCFYSZ-KRWDZBQOSA-N 0 0 434.477 3.844 50 0 IHAARN CC(C)Cn1nc(CC(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)c2ccccc2c1=O ZINC000223217913 193953127 /nfs/dbraw/zinc/95/31/27/193953127.db2.gz LKLQUQOKCFJKGH-XMMPIXPASA-N 0 0 445.567 3.995 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c1 ZINC000000623970 132227712 /nfs/dbraw/zinc/22/77/12/132227712.db2.gz GBNCFXONTJZSRX-UHFFFAOYSA-N 0 0 445.947 3.914 50 0 IHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000000629079 132228147 /nfs/dbraw/zinc/22/81/47/132228147.db2.gz MDXLDKCBVRAXLR-OAQYLSRUSA-N 0 0 435.505 3.540 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccccc1 ZINC000000678150 132229188 /nfs/dbraw/zinc/22/91/88/132229188.db2.gz JNUFRBFEBGAIFZ-UHFFFAOYSA-N 0 0 449.576 3.615 50 0 IHAARN C[C@@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519079 132232916 /nfs/dbraw/zinc/23/29/16/132232916.db2.gz XNXOWZKFFHLGHK-INIZCTEOSA-N 0 0 449.942 3.581 50 0 IHAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Br ZINC000010186621 132243099 /nfs/dbraw/zinc/24/30/99/132243099.db2.gz KTEAXUSKMUCAJR-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cccc(Br)c1 ZINC000001427606 132245208 /nfs/dbraw/zinc/24/52/08/132245208.db2.gz DVXXHNKGGJVETN-AWEZNQCLSA-N 0 0 428.238 3.509 50 0 IHAARN Cn1c(SCc2nc(N)nc(N3CCCc4ccccc43)n2)nnc1-c1ccccc1 ZINC000001428326 132245316 /nfs/dbraw/zinc/24/53/16/132245316.db2.gz KOYUSJCLUXSJGI-UHFFFAOYSA-N 0 0 430.541 3.626 50 0 IHAARN COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002633121 132255481 /nfs/dbraw/zinc/25/54/81/132255481.db2.gz ABOXCUHGXNBRFK-UHFFFAOYSA-N 0 0 428.554 3.853 50 0 IHAARN Cc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002647279 132255659 /nfs/dbraw/zinc/25/56/59/132255659.db2.gz XZZTZQYYOASIFV-UHFFFAOYSA-N 0 0 446.429 3.811 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)Nc1ccc(N2CCOCC2)cc1 ZINC000002650049 132255952 /nfs/dbraw/zinc/25/59/52/132255952.db2.gz XEIXIDUFOSGVGF-UHFFFAOYSA-N 0 0 448.397 3.666 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC(C)CC2)c2ccccc23)cc1 ZINC000002693699 132256246 /nfs/dbraw/zinc/25/62/46/132256246.db2.gz PWPCXPYKKLYEDH-UHFFFAOYSA-N 0 0 435.553 3.909 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@@H](C)C2)c2ccccc23)cc1C ZINC000002716029 132256476 /nfs/dbraw/zinc/25/64/76/132256476.db2.gz RNCPPFZUEBRVHK-OAHLLOKOSA-N 0 0 435.553 3.963 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002725421 132256745 /nfs/dbraw/zinc/25/67/45/132256745.db2.gz PMFHLRDGJUZEEN-LJQANCHMSA-N 0 0 445.800 3.998 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1 ZINC000002835238 132257344 /nfs/dbraw/zinc/25/73/44/132257344.db2.gz VJCHUHLZAQBCES-UHFFFAOYSA-N 0 0 443.960 3.703 50 0 IHAARN CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 ZINC000002925871 132259047 /nfs/dbraw/zinc/25/90/47/132259047.db2.gz ZZZPBXOHGCODOO-UHFFFAOYSA-N 0 0 427.549 3.947 50 0 IHAARN CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000003314393 132263694 /nfs/dbraw/zinc/26/36/94/132263694.db2.gz IEKGQSKOVWLRJX-UHFFFAOYSA-N 0 0 427.917 3.696 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)N1CCCc2ccccc21 ZINC000003379057 132264889 /nfs/dbraw/zinc/26/48/89/132264889.db2.gz YDAPWPOQLOEZDU-CYBMUJFWSA-N 0 0 445.495 3.720 50 0 IHAARN C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)N1CCCc2ccccc21 ZINC000003379053 132264891 /nfs/dbraw/zinc/26/48/91/132264891.db2.gz YDAPWPOQLOEZDU-ZDUSSCGKSA-N 0 0 445.495 3.720 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2)CC1 ZINC000004121741 132270133 /nfs/dbraw/zinc/27/01/33/132270133.db2.gz PXXYIFNREWGNIZ-UHFFFAOYSA-N 0 0 444.988 3.834 50 0 IHAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NC(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756707 132273174 /nfs/dbraw/zinc/27/31/74/132273174.db2.gz FISIZJDMIWJXDJ-WMZHIEFXSA-N 0 0 426.513 3.721 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)n1 ZINC000007781060 132280695 /nfs/dbraw/zinc/28/06/95/132280695.db2.gz SBARFBVKAHWQLL-UHFFFAOYSA-N 0 0 426.590 3.544 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1 ZINC000008596410 132285120 /nfs/dbraw/zinc/28/51/20/132285120.db2.gz SOPGMAUDVXIZMJ-UHFFFAOYSA-N 0 0 441.984 3.941 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)[C@H](C(C)C)C(=O)N3)CC1 ZINC000008597926 132285724 /nfs/dbraw/zinc/28/57/24/132285724.db2.gz RJOTUFLBHSKFGA-NRFANRHFSA-N 0 0 447.988 3.851 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)[C@H](C(C)C)C(=O)N4)CC2)c1 ZINC000008597920 132285726 /nfs/dbraw/zinc/28/57/26/132285726.db2.gz YEXHHTXYAMQLLJ-QFIPXVFZSA-N 0 0 427.570 3.506 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)NCc2ccco2)CC1 ZINC000008721335 132291819 /nfs/dbraw/zinc/29/18/19/132291819.db2.gz DVOLOYGIFQGCJI-UHFFFAOYSA-N 0 0 449.576 3.959 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCCCc1ccccc1 ZINC000008757091 132293115 /nfs/dbraw/zinc/29/31/15/132293115.db2.gz KATLTUABKBVELN-UHFFFAOYSA-N 0 0 445.610 3.834 50 0 IHAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCc1ccc(F)cc1 ZINC000008768855 132293777 /nfs/dbraw/zinc/29/37/77/132293777.db2.gz LNYPKFTXAKWQML-UHFFFAOYSA-N 0 0 435.546 3.540 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000008904457 132297378 /nfs/dbraw/zinc/29/73/78/132297378.db2.gz HBQSXUIHRSSBDJ-UHFFFAOYSA-N 0 0 429.948 3.971 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000008933584 132298263 /nfs/dbraw/zinc/29/82/63/132298263.db2.gz IMYHFIDCVXEWEK-UHFFFAOYSA-N 0 0 427.508 3.634 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccc21 ZINC000008944021 132298519 /nfs/dbraw/zinc/29/85/19/132298519.db2.gz ZLWRJDACNFKOKD-UHFFFAOYSA-N 0 0 447.513 3.563 50 0 IHAARN COc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1 ZINC000009076120 132302014 /nfs/dbraw/zinc/30/20/14/132302014.db2.gz HNTVKCUUPKFQFP-UHFFFAOYSA-N 0 0 438.553 3.855 50 0 IHAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)c1 ZINC000009192849 132308245 /nfs/dbraw/zinc/30/82/45/132308245.db2.gz UTIWPZCIGRHKPU-IBGZPJMESA-N 0 0 443.551 3.626 50 0 IHAARN O=C(Nc1cc(F)ccc1F)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211271 132309208 /nfs/dbraw/zinc/30/92/08/132309208.db2.gz TUWSUDLIQXGULR-UHFFFAOYSA-N 0 0 426.471 3.686 50 0 IHAARN Cc1ccc(CN(c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000009227490 132309900 /nfs/dbraw/zinc/30/99/00/132309900.db2.gz KNKZKVIVURMDBJ-UHFFFAOYSA-N 0 0 449.532 3.560 50 0 IHAARN COc1cccc(CNC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)c1OC ZINC000009286968 132312600 /nfs/dbraw/zinc/31/26/00/132312600.db2.gz VNBCUTMKTSFEES-AWEZNQCLSA-N 0 0 432.904 3.568 50 0 IHAARN O=C(c1ccco1)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1 ZINC000009287105 132312663 /nfs/dbraw/zinc/31/26/63/132312663.db2.gz XJDDBVYTGHETPV-MRXNPFEDSA-N 0 0 436.899 3.598 50 0 IHAARN CCOc1ccc(CCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)cc1OCC ZINC000009287107 132312669 /nfs/dbraw/zinc/31/26/69/132312669.db2.gz GDNPJEZTATUFBP-SFHVURJKSA-N 0 0 440.540 3.737 50 0 IHAARN Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(C(=O)c4ccco4)CC3)nc2C1 ZINC000009287263 132312672 /nfs/dbraw/zinc/31/26/72/132312672.db2.gz DZPIGENKDLNJGV-SFHVURJKSA-N 0 0 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ZINC000009427055 132316770 /nfs/dbraw/zinc/31/67/70/132316770.db2.gz QWXCOJJGVCKPPM-OUKQBFOZSA-N 0 0 431.492 3.903 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009508974 132319804 /nfs/dbraw/zinc/31/98/04/132319804.db2.gz XJKMZZYBWYHCIU-UHFFFAOYSA-N 0 0 448.523 3.576 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000009528788 132320552 /nfs/dbraw/zinc/32/05/52/132320552.db2.gz WPRMJPAWPPMHNC-NRFANRHFSA-N 0 0 438.959 3.638 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NC3CCCCCC3)cc12 ZINC000009597557 132322751 /nfs/dbraw/zinc/32/27/51/132322751.db2.gz JSQAUBDZDRLBKX-UHFFFAOYSA-N 0 0 438.572 3.938 50 0 IHAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009606666 132323323 /nfs/dbraw/zinc/32/33/23/132323323.db2.gz IUKXDIDOCWECHC-HNNXBMFYSA-N 0 0 429.571 3.573 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000009616334 132323676 /nfs/dbraw/zinc/32/36/76/132323676.db2.gz MBELVJGMDYOOQS-UHFFFAOYSA-N 0 0 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VQQMJNDBQRTRSV-QHCPKHFHSA-N 0 0 435.499 3.786 50 0 IHAARN CCOC(=O)C1=C(CSc2nnc(-c3ccoc3C)o2)NC(=O)N[C@@H]1c1cccs1 ZINC000012724837 520527700 /nfs/dbraw/zinc/52/77/00/520527700.db2.gz GGFXNDGTCVTOND-OAHLLOKOSA-N 0 0 446.510 3.663 50 0 IHAARN CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)n2c3ccccc3nc21 ZINC000021005917 520562167 /nfs/dbraw/zinc/56/21/67/520562167.db2.gz QAIXXAAMYVTBGW-HXUWFJFHSA-N 0 0 434.496 3.930 50 0 IHAARN CC1(C)NC(=O)N(CCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O ZINC000012903660 520600715 /nfs/dbraw/zinc/60/07/15/520600715.db2.gz KIMCSOZYIQIRFN-UHFFFAOYSA-N 0 0 446.301 3.900 50 0 IHAARN CCCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000022784791 520617509 /nfs/dbraw/zinc/61/75/09/520617509.db2.gz CVPJOIBUMIOHBQ-RUZDIDTESA-N 0 0 432.568 3.626 50 0 IHAARN CCOc1cc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc(OCC)c1OCC ZINC000020991610 520673182 /nfs/dbraw/zinc/67/31/82/520673182.db2.gz GTZIFAZWFCGYBB-UHFFFAOYSA-N 0 0 432.498 3.618 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccc(OC)cc1OC ZINC000036062122 520680273 /nfs/dbraw/zinc/68/02/73/520680273.db2.gz AMGJWRZKDFCFJS-PMACEKPBSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCNC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063352 520685357 /nfs/dbraw/zinc/68/53/57/520685357.db2.gz XYFRJDULORGJSZ-QGZVFWFLSA-N 0 0 427.448 3.638 50 0 IHAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000014250803 520762307 /nfs/dbraw/zinc/76/23/07/520762307.db2.gz CPZLYHJLVYXLIS-UHFFFAOYSA-N 0 0 442.585 3.947 50 0 IHAARN CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1 ZINC000253499972 520779604 /nfs/dbraw/zinc/77/96/04/520779604.db2.gz SPCOYRJFXKKGPF-PSZIAIALSA-N 0 0 432.557 3.667 50 0 biogenic IHAARN CCOc1cc2c(cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@H](C)C2 ZINC000024317667 520791871 /nfs/dbraw/zinc/79/18/71/520791871.db2.gz LDSIEGNOAQVYSO-UTKZUKDTSA-N 0 0 448.519 3.659 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 ZINC000032934422 520792320 /nfs/dbraw/zinc/79/23/20/520792320.db2.gz CBKKAKYPRQWGAL-QRWLVFNGSA-N 0 0 441.503 3.861 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000023136395 520801016 /nfs/dbraw/zinc/80/10/16/520801016.db2.gz FFTCLOVDOIIGLQ-UHFFFAOYSA-N 0 0 428.554 3.807 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786684 520804707 /nfs/dbraw/zinc/80/47/07/520804707.db2.gz FSGNOYBSCFHEEL-IBGZPJMESA-N 0 0 440.521 3.570 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000012787227 520809127 /nfs/dbraw/zinc/80/91/27/520809127.db2.gz KLMZCQHLGCPSNR-MRXNPFEDSA-N 0 0 438.977 3.935 50 0 IHAARN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)NC(C)C)cc2)C1=O ZINC000021781683 520840282 /nfs/dbraw/zinc/84/02/82/520840282.db2.gz SPIIXELCUJMPKV-UHFFFAOYSA-N 0 0 426.538 3.545 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)n1 ZINC000012734784 520910267 /nfs/dbraw/zinc/91/02/67/520910267.db2.gz NCKOGZLDFWISLP-HUUCEWRRSA-N 0 0 429.542 3.754 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)n1 ZINC000020575110 520910631 /nfs/dbraw/zinc/91/06/31/520910631.db2.gz CBACJGMKNVHOOH-UHFFFAOYSA-N 0 0 428.514 3.864 50 0 IHAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccccc2OC)CC1 ZINC000035908342 520944766 /nfs/dbraw/zinc/94/47/66/520944766.db2.gz PPTBAHZONVTEFD-HXUWFJFHSA-N 0 0 435.524 3.999 50 0 IHAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc3c(c2)OCO3)CC1 ZINC000035888491 520946313 /nfs/dbraw/zinc/94/63/13/520946313.db2.gz FERFFNNYLQWLIV-IBGZPJMESA-N 0 0 449.507 3.719 50 0 IHAARN CCOc1ccc(CN2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021039843 520978068 /nfs/dbraw/zinc/97/80/68/520978068.db2.gz FHYWWVFFSANLRN-UHFFFAOYSA-N 0 0 447.558 3.899 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)cc1OC ZINC000020995990 520997285 /nfs/dbraw/zinc/99/72/85/520997285.db2.gz QXLNOJJPRPGVGW-UHFFFAOYSA-N 0 0 434.540 3.939 50 0 IHAARN CCN(CCCNC(=O)CCn1cnc2c3cc(C)ccc3[nH]c2c1=O)c1ccccc1 ZINC000035423962 521016446 /nfs/dbraw/zinc/01/64/46/521016446.db2.gz MCZSWBDJKLFKFA-UHFFFAOYSA-N 0 0 431.540 3.609 50 0 IHAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccn3)ccc2Br)CC1 ZINC000012536759 521027130 /nfs/dbraw/zinc/02/71/30/521027130.db2.gz CDLQPFNUHFBKPC-UHFFFAOYSA-N 0 0 438.347 3.517 50 0 IHAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)COc2ccccc2)cc1 ZINC000035476739 521030246 /nfs/dbraw/zinc/03/02/46/521030246.db2.gz JOLSUBHYBFVPGE-UHFFFAOYSA-N 0 0 431.496 3.752 50 0 IHAARN CCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1S(=O)(=O)N(C)C ZINC000012690001 521053632 /nfs/dbraw/zinc/05/36/32/521053632.db2.gz HRFVTBSQHSDHTL-UHFFFAOYSA-N 0 0 447.582 3.907 50 0 IHAARN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2ccc(Br)cc2)s1 ZINC000035924545 521054306 /nfs/dbraw/zinc/05/43/06/521054306.db2.gz FMBZIMZICZVYGR-LLVKDONJSA-N 0 0 430.349 3.987 50 0 IHAARN CCC(=O)N(c1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)s1)C1CC1 ZINC000024716234 521091523 /nfs/dbraw/zinc/09/15/23/521091523.db2.gz ZVBZBAHNHLZVOX-UHFFFAOYSA-N 0 0 433.584 3.523 50 0 IHAARN CCOC(=O)[C@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(C)nc12 ZINC000035924585 521217240 /nfs/dbraw/zinc/21/72/40/521217240.db2.gz ZEXYXQAEWTUULH-SFHVURJKSA-N 0 0 446.507 3.803 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)[C@H](CC)c2ccccc2)N2CCOCC2)cc1OC ZINC000022785533 521262141 /nfs/dbraw/zinc/26/21/41/521262141.db2.gz OWOBSSLZEZCBMU-YADHBBJMSA-N 0 0 426.557 3.777 50 0 IHAARN CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012125810 521341677 /nfs/dbraw/zinc/34/16/77/521341677.db2.gz QWKQHTHPRFWTGS-UHFFFAOYSA-N 0 0 430.468 3.693 50 0 IHAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc12 ZINC000012784751 521348435 /nfs/dbraw/zinc/34/84/35/521348435.db2.gz BMMZHSYRANFKSN-UHFFFAOYSA-N 0 0 427.453 3.789 50 0 IHAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000012712646 521353756 /nfs/dbraw/zinc/35/37/56/521353756.db2.gz BXPHUTNWXCYGGO-QHCPKHFHSA-N 0 0 445.537 3.774 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2csc(SC)n2)C1 ZINC000012112118 521356710 /nfs/dbraw/zinc/35/67/10/521356710.db2.gz OTCPRJTTZKJAST-NRFANRHFSA-N 0 0 434.583 3.902 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 ZINC000012316645 521358607 /nfs/dbraw/zinc/35/86/07/521358607.db2.gz VUNLTNCWUGZSPO-VWLOTQADSA-N 0 0 434.540 3.752 50 0 IHAARN CCCCn1c(CN2CCC([C@@H](O)CC)CC2)cnc1S(=O)(=O)CCCC(C)C ZINC000012201152 521362289 /nfs/dbraw/zinc/36/22/89/521362289.db2.gz AATNAKRFVPGDMM-NRFANRHFSA-N 0 0 427.655 3.876 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCc3cccc(F)c3)CC2)c1C ZINC000021153912 521362376 /nfs/dbraw/zinc/36/23/76/521362376.db2.gz MZTLQWUUKGDLLP-UHFFFAOYSA-N 0 0 443.519 3.506 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc2ccccn21 ZINC000021470459 521372027 /nfs/dbraw/zinc/37/20/27/521372027.db2.gz ONKMRENTJIETIC-UHFFFAOYSA-N 0 0 428.495 3.958 50 0 IHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnnn1C1CC1 ZINC000012795729 521373537 /nfs/dbraw/zinc/37/35/37/521373537.db2.gz GZYFYPPGKWTPKT-UHFFFAOYSA-N 0 0 429.527 3.644 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc(C(=O)CC)cc1 ZINC000012805020 521388047 /nfs/dbraw/zinc/38/80/47/521388047.db2.gz ILIOCTSADMLTHR-UHFFFAOYSA-N 0 0 433.482 3.630 50 0 IHAARN CCCc1ccc(NC(=O)CNc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012537705 521399773 /nfs/dbraw/zinc/39/97/73/521399773.db2.gz JWIHGKIYVMXVGC-UHFFFAOYSA-N 0 0 445.585 3.873 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)c1ccco1 ZINC000036030108 521431841 /nfs/dbraw/zinc/43/18/41/521431841.db2.gz CGTIJPUVTSFOSN-UHFFFAOYSA-N 0 0 429.542 3.768 50 0 IHAARN CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000023267799 521441183 /nfs/dbraw/zinc/44/11/83/521441183.db2.gz WBCFRIPNOUCMKU-CYBMUJFWSA-N 0 0 447.538 3.870 50 0 IHAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1occc1Br ZINC000012654884 521446316 /nfs/dbraw/zinc/44/63/16/521446316.db2.gz CNUGBPAUIZWTML-UHFFFAOYSA-N 0 0 436.262 3.772 50 0 IHAARN CCOc1ccccc1C(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000033273624 521450053 /nfs/dbraw/zinc/45/00/53/521450053.db2.gz KAEHQPWBSFMVSL-UHFFFAOYSA-N 0 0 448.523 3.686 50 0 IHAARN CCOc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021861932 521481455 /nfs/dbraw/zinc/48/14/55/521481455.db2.gz SMZXABBDYHFHEA-SANMLTNESA-N 0 0 446.551 3.909 50 0 IHAARN CCOc1ccccc1CNC(=O)C1CCN(C(=O)N2CCOc3ccc(C)cc32)CC1 ZINC000021526343 521486187 /nfs/dbraw/zinc/48/61/87/521486187.db2.gz LGGVITDJVPCUFS-UHFFFAOYSA-N 0 0 437.540 3.741 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(CC)cc2)cc1 ZINC000035504036 521503201 /nfs/dbraw/zinc/50/32/01/521503201.db2.gz KIKRCATXYNLFQC-UHFFFAOYSA-N 0 0 444.491 3.565 50 0 IHAARN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907606 521521994 /nfs/dbraw/zinc/52/19/94/521521994.db2.gz ONJBDYDRDLDSDI-OAQYLSRUSA-N 0 0 433.508 3.533 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035530504 521536224 /nfs/dbraw/zinc/53/62/24/521536224.db2.gz OCECEAOQLASWIW-UHFFFAOYSA-N 0 0 439.512 3.764 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000012797532 521548720 /nfs/dbraw/zinc/54/87/20/521548720.db2.gz MHUGHTSPSYDVQX-DEOSSOPVSA-N 0 0 444.535 3.618 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 ZINC000012640629 521551663 /nfs/dbraw/zinc/55/16/63/521551663.db2.gz NSSYXHYKMWZGKZ-UHFFFAOYSA-N 0 0 441.538 3.863 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000032964065 521555215 /nfs/dbraw/zinc/55/52/15/521555215.db2.gz IDIMPFVRYQYDDA-AWEZNQCLSA-N 0 0 427.526 3.619 50 0 IHAARN CCOc1ncccc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000012796649 521615578 /nfs/dbraw/zinc/61/55/78/521615578.db2.gz FXBRHGBRTKQKGF-CQSZACIVSA-N 0 0 429.542 3.582 50 0 IHAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(C(C)=O)ccc1OC ZINC000023044147 521637905 /nfs/dbraw/zinc/63/79/05/521637905.db2.gz XJWHFOIWLFJPRG-UHFFFAOYSA-N 0 0 433.555 3.597 50 0 IHAARN CCCn1c2nnc(CCC(=O)N[C@H](C)CCc3ccccc3)n2c2ccsc2c1=O ZINC000035528683 521641166 /nfs/dbraw/zinc/64/11/66/521641166.db2.gz WKNFWLYJLRITNU-MRXNPFEDSA-N 0 0 437.569 3.586 50 0 IHAARN CCCn1c2nnc(CCC(=O)N3CC=C(c4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035376355 521641514 /nfs/dbraw/zinc/64/15/14/521641514.db2.gz ASLJHNXGSVSMQJ-UHFFFAOYSA-N 0 0 447.564 3.764 50 0 IHAARN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012584462 521690139 /nfs/dbraw/zinc/69/01/39/521690139.db2.gz DLVIEBGFVGGULA-UHFFFAOYSA-N 0 0 427.853 3.953 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2nccs2)n1CCCc1ccccc1 ZINC000012206679 521694625 /nfs/dbraw/zinc/69/46/25/521694625.db2.gz MXWCKCHXLUVODN-KRWDZBQOSA-N 0 0 432.615 3.959 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C)cc2s1 ZINC000033298895 521694892 /nfs/dbraw/zinc/69/48/92/521694892.db2.gz FTHIBJHQOMEQBH-UHFFFAOYSA-N 0 0 430.960 3.853 50 0 IHAARN CCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021856644 521703170 /nfs/dbraw/zinc/70/31/70/521703170.db2.gz UHVYQDQHPFWVPK-LAVPKYONSA-N 0 0 441.572 3.978 50 0 IHAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000012414830 521730968 /nfs/dbraw/zinc/73/09/68/521730968.db2.gz BPWYDLUZTOBUMY-UHFFFAOYSA-N 0 0 439.946 3.605 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035963275 521739114 /nfs/dbraw/zinc/73/91/14/521739114.db2.gz KJTAZYWRVGWIDM-HXUWFJFHSA-N 0 0 428.920 3.688 50 0 IHAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(C)C ZINC000036040479 521739480 /nfs/dbraw/zinc/73/94/80/521739480.db2.gz CROAFOBRDHOBNR-UHFFFAOYSA-N 0 0 434.606 3.761 50 0 IHAARN CCSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000021910990 521790586 /nfs/dbraw/zinc/79/05/86/521790586.db2.gz YRYIJHIGCHECQT-UHFFFAOYSA-N 0 0 444.582 3.666 50 0 IHAARN COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1 ZINC000020605315 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ARLMFUCIJUGWJA-UHFFFAOYSA-N 0 0 442.951 3.783 50 0 IHAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000035684878 523250560 /nfs/dbraw/zinc/25/05/60/523250560.db2.gz VFYDFSZVGCAJPU-IBGZPJMESA-N 0 0 433.468 3.997 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3cc(C)ccc3C)c1=O)c(C)nn2-c1ccccc1 ZINC000021641233 523254123 /nfs/dbraw/zinc/25/41/23/523254123.db2.gz LFUWECCGQUJRRW-UHFFFAOYSA-N 0 0 443.551 3.776 50 0 IHAARN CCn1c2c(nc(-c3c(C)cc(C)cc3C)nc2C(N)=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000035508505 523255341 /nfs/dbraw/zinc/25/53/41/523255341.db2.gz FKEZBBZBCDGASK-UHFFFAOYSA-N 0 0 429.524 3.910 50 0 IHAARN CN(Cc1ccc2ccccc2n1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012318773 523282061 /nfs/dbraw/zinc/28/20/61/523282061.db2.gz ZAVAGTFBZFKLRD-UHFFFAOYSA-N 0 0 440.463 3.655 50 0 IHAARN COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000011914919 523291329 /nfs/dbraw/zinc/29/13/29/523291329.db2.gz REKKBVGHVFAUJK-HSZRJFAPSA-N 0 0 437.496 3.690 50 0 IHAARN COc1ccc(-c2noc(NCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000020996786 523300175 /nfs/dbraw/zinc/30/01/75/523300175.db2.gz BPRLNDSGBKJJCC-UHFFFAOYSA-N 0 0 447.461 3.998 50 0 IHAARN COc1ccc(-n2c(=O)c3c(c4cc(OC)ccc4n3C)n(Cc3ccccc3)c2=O)cc1 ZINC000020558187 523309880 /nfs/dbraw/zinc/30/98/80/523309880.db2.gz HMYCOBJMXBAPPG-UHFFFAOYSA-N 0 0 441.487 3.710 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CCC1 ZINC000033277516 523315408 /nfs/dbraw/zinc/31/54/08/523315408.db2.gz DMOLVRQPZGOFNT-UHFFFAOYSA-N 0 0 436.961 3.715 50 0 IHAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(Br)c4)no3)n2)cc1 ZINC000033300424 523332983 /nfs/dbraw/zinc/33/29/83/523332983.db2.gz RXWQZSXJQGDUKY-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3NCCNC(=O)c2ccccc2)cc1 ZINC000036006244 523345646 /nfs/dbraw/zinc/34/56/46/523345646.db2.gz VPXTWHBSOCSNNQ-UHFFFAOYSA-N 0 0 442.523 3.852 50 0 IHAARN CC[C@@H]1CO[C@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C ZINC000012419165 523520362 /nfs/dbraw/zinc/52/03/62/523520362.db2.gz KWTCLVGDXDUYKP-HOYKHHGWSA-N 0 0 445.519 3.785 50 0 IHAARN COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000012772071 523601880 /nfs/dbraw/zinc/60/18/80/523601880.db2.gz NPEQDPOYFHISFS-UHFFFAOYSA-N 0 0 443.352 3.715 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1)C(=O)C(C)C ZINC000035947103 523651516 /nfs/dbraw/zinc/65/15/16/523651516.db2.gz BTTBCDQBZMCZPH-QFIPXVFZSA-N 0 0 425.504 3.634 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCCOc1ccccc1F ZINC000012207318 523652166 /nfs/dbraw/zinc/65/21/66/523652166.db2.gz YTFFWRJKXZUEJY-UHFFFAOYSA-N 0 0 429.469 3.887 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(C)c3)CC2)cc1 ZINC000035887756 523654091 /nfs/dbraw/zinc/65/40/91/523654091.db2.gz QHJPBJGBUGIGFX-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN COc1ccc(C(=O)NCCSc2ccc(Br)cc2)c(OC)c1OC ZINC000018075782 523699300 /nfs/dbraw/zinc/69/93/00/523699300.db2.gz IAGMSKCKPRWMRB-UHFFFAOYSA-N 0 0 426.332 3.997 50 0 IHAARN COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c(OC)n1 ZINC000012021791 523710295 /nfs/dbraw/zinc/71/02/95/523710295.db2.gz UVVCSTMBSLCLPE-GOSISDBHSA-N 0 0 432.476 3.702 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000012882935 523712080 /nfs/dbraw/zinc/71/20/80/523712080.db2.gz RLWVDYJVJNTCAE-OAHLLOKOSA-N 0 0 436.961 3.842 50 0 IHAARN COc1ccc(C(=O)NCc2ccc3ncccc3c2)cc1OC1CCN(C(C)=O)CC1 ZINC000012319391 523713707 /nfs/dbraw/zinc/71/37/07/523713707.db2.gz NEEFYWZLJVTMIU-UHFFFAOYSA-N 0 0 433.508 3.563 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)cc1 ZINC000041089571 523743256 /nfs/dbraw/zinc/74/32/56/523743256.db2.gz DQVOJFRPONWDSM-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN CC[C@@]1(c2cccc(OS(=O)(=O)c3ccc(OC)c(OC)c3)c2)CCCCN(C)C1=O ZINC000012366822 523747410 /nfs/dbraw/zinc/74/74/10/523747410.db2.gz DUXUWLXMSKPGLJ-QHCPKHFHSA-N 0 0 447.553 3.762 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000012417930 523749373 /nfs/dbraw/zinc/74/93/73/523749373.db2.gz XNLNCDIQUVREBK-OKILXGFUSA-N 0 0 432.904 3.859 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C)cn2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000012523288 523750003 /nfs/dbraw/zinc/75/00/03/523750003.db2.gz BNRDOWDUQMGTEO-UHFFFAOYSA-N 0 0 437.521 3.792 50 0 IHAARN CCc1cc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)sc1C ZINC000022227041 523757800 /nfs/dbraw/zinc/75/78/00/523757800.db2.gz OXBVDVFUVBYUEH-UHFFFAOYSA-N 0 0 426.542 3.636 50 0 IHAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)c(C)s3)ccc21 ZINC000023151166 523763553 /nfs/dbraw/zinc/76/35/53/523763553.db2.gz WGYFRGBSHHQZBI-UHFFFAOYSA-N 0 0 440.554 3.833 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012865425 523779204 /nfs/dbraw/zinc/77/92/04/523779204.db2.gz MGWUPHWQDCDWJT-HXUWFJFHSA-N 0 0 426.542 3.610 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020978627 523854259 /nfs/dbraw/zinc/85/42/59/523854259.db2.gz FPFCJZCOGDXCDF-UHFFFAOYSA-N 0 0 425.554 3.719 50 0 IHAARN CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1NC(C)=O ZINC000016648264 523855896 /nfs/dbraw/zinc/85/58/96/523855896.db2.gz ZMWRZJRZWNJJJI-UHFFFAOYSA-N 0 0 432.524 3.995 50 0 IHAARN CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 ZINC000012849776 523885152 /nfs/dbraw/zinc/88/51/52/523885152.db2.gz XEFMATUEOYHSME-CMPLNLGQSA-N 0 0 433.887 3.646 50 0 IHAARN COCCNC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000012887422 523898054 /nfs/dbraw/zinc/89/80/54/523898054.db2.gz ZGAZMJPIGOURII-UHFFFAOYSA-N 0 0 437.492 3.705 50 0 biogenic IHAARN COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000012540453 523908495 /nfs/dbraw/zinc/90/84/95/523908495.db2.gz QPNRXMRKJJLPTN-UHFFFAOYSA-N 0 0 446.569 3.758 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000022416782 523955354 /nfs/dbraw/zinc/95/53/54/523955354.db2.gz LDZYKROBCRURMQ-UHFFFAOYSA-N 0 0 435.553 3.911 50 0 IHAARN CO[C@H](c1nnc(CCC(=O)NC2CCN(c3cccc(C)c3)CC2)o1)c1ccccc1 ZINC000020997135 523959795 /nfs/dbraw/zinc/95/97/95/523959795.db2.gz XDVBAGAHSDUUCE-DEOSSOPVSA-N 0 0 434.540 3.832 50 0 IHAARN CO[C@H]1CCCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012456434 523969434 /nfs/dbraw/zinc/96/94/34/523969434.db2.gz SLEBBLOPUACUHD-WNCULLNHSA-N 0 0 446.547 3.540 50 0 IHAARN CCc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)cc1 ZINC000020582741 523974477 /nfs/dbraw/zinc/97/44/77/523974477.db2.gz OTXUJGBZLBZBEA-UHFFFAOYSA-N 0 0 440.550 3.575 50 0 IHAARN COc1ccc(CCNc2nccn(-c3ccc(Br)c(C)c3)c2=O)cc1OC ZINC000021537015 523979714 /nfs/dbraw/zinc/97/97/14/523979714.db2.gz ILQLMABJFKJTQD-UHFFFAOYSA-N 0 0 444.329 3.975 50 0 IHAARN COc1ccc(CN(C(=O)CSc2nnc(Cc3csc(C)n3)o2)C2CC2)cc1 ZINC000012900393 523988389 /nfs/dbraw/zinc/98/83/89/523988389.db2.gz BJVBVCQTFMROHH-UHFFFAOYSA-N 0 0 430.555 3.717 50 0 IHAARN COc1ccc(CN(C(=O)Nc2cc(OC)cc(OC)c2)C2CCN(C(C)=O)CC2)cc1 ZINC000015679705 523989933 /nfs/dbraw/zinc/98/99/33/523989933.db2.gz VFEJSDJAFTYSLE-UHFFFAOYSA-N 0 0 441.528 3.757 50 0 IHAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012703899 524001944 /nfs/dbraw/zinc/00/19/44/524001944.db2.gz RRUZVLQIPSVKEV-OAQYLSRUSA-N 0 0 447.579 3.753 50 0 IHAARN CCc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 ZINC000035378606 524005568 /nfs/dbraw/zinc/00/55/68/524005568.db2.gz BXGDKLDAPYHEHW-UHFFFAOYSA-N 0 0 433.464 3.755 50 0 IHAARN CCc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012821693 524043554 /nfs/dbraw/zinc/04/35/54/524043554.db2.gz PUMUUNXSMKGNJA-SFHVURJKSA-N 0 0 436.552 3.792 50 0 IHAARN COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1 ZINC000012887994 524052865 /nfs/dbraw/zinc/05/28/65/524052865.db2.gz USYRMAOMZAWXNE-UHFFFAOYSA-N 0 0 437.492 3.909 50 0 biogenic IHAARN COc1ccc(CNC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033011852 524054040 /nfs/dbraw/zinc/05/40/40/524054040.db2.gz JLSFAQBTPICOHD-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN CCc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000022752904 524062872 /nfs/dbraw/zinc/06/28/72/524062872.db2.gz VVXOOWXYJLWPTC-UHFFFAOYSA-N 0 0 433.552 3.729 50 0 biogenic,in-vitro IHAARN CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000020510338 524067634 /nfs/dbraw/zinc/06/76/34/524067634.db2.gz FQGWVCYVGFDJFH-UHFFFAOYSA-N 0 0 432.567 3.658 50 0 IHAARN CCc1cccc(CC)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000012783467 524068347 /nfs/dbraw/zinc/06/83/47/524068347.db2.gz ZZDKTSDKPNKIPV-UHFFFAOYSA-N 0 0 446.617 3.684 50 0 IHAARN CCc1cccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCCCOC)c1 ZINC000021855486 524071550 /nfs/dbraw/zinc/07/15/50/524071550.db2.gz NWUSGBGXFBKIJD-SANMLTNESA-N 0 0 446.551 3.684 50 0 IHAARN COc1cccc([C@@H](C)N(C)C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1 ZINC000012191888 524085937 /nfs/dbraw/zinc/08/59/37/524085937.db2.gz IZSQRMQQOJGBIM-MRXNPFEDSA-N 0 0 439.512 3.838 50 0 IHAARN Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 ZINC000015613980 524088834 /nfs/dbraw/zinc/08/88/34/524088834.db2.gz LPVFWGDNQAMBAP-IIOOSLMMSA-N 0 0 428.529 3.555 50 0 IHAARN CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000012809132 524089756 /nfs/dbraw/zinc/08/97/56/524089756.db2.gz CIMPRMJDMFROSV-KRWDZBQOSA-N 0 0 425.583 3.608 50 0 IHAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012545480 524116045 /nfs/dbraw/zinc/11/60/45/524116045.db2.gz ZELHAHHBFGKQLL-UHFFFAOYSA-N 0 0 427.961 3.918 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCC3)c2=O)c1 ZINC000033287067 524139604 /nfs/dbraw/zinc/13/96/04/524139604.db2.gz BAOVBOMMXBLVHP-UHFFFAOYSA-N 0 0 446.551 3.643 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N[C@H](C)Cc3cccnc3)CCC(=O)N2)c2ccccc12 ZINC000012247509 524159872 /nfs/dbraw/zinc/15/98/72/524159872.db2.gz OZYKBNVCYTZMGX-WINIVTDRSA-N 0 0 445.563 3.962 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)c1 ZINC000012605000 524194902 /nfs/dbraw/zinc/19/49/02/524194902.db2.gz WUOKJVXNSLTTLW-HXUWFJFHSA-N 0 0 441.553 3.730 50 0 IHAARN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)NC3CCCCC3)n2C)C(C)C)c1 ZINC000012463501 524211775 /nfs/dbraw/zinc/21/17/75/524211775.db2.gz XSDNUMBTDDQXCF-FQEVSTJZSA-N 0 0 443.617 3.792 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012440574 524222025 /nfs/dbraw/zinc/22/20/25/524222025.db2.gz MCTGWYJYDYJJKJ-KRWDZBQOSA-N 0 0 449.979 3.709 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000020728924 524229879 /nfs/dbraw/zinc/22/98/79/524229879.db2.gz ZNZHUHNCLOPJHM-AWEZNQCLSA-N 0 0 432.267 3.783 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000012854698 524241171 /nfs/dbraw/zinc/24/11/71/524241171.db2.gz OHFYIADHOBVCSB-CQSZACIVSA-N 0 0 429.369 3.897 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012843597 524248414 /nfs/dbraw/zinc/24/84/14/524248414.db2.gz PQGKBLNVUDVQNX-OAHLLOKOSA-N 0 0 436.961 3.627 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012786619 524252609 /nfs/dbraw/zinc/25/26/09/524252609.db2.gz NJSQGUFDVKOEEC-NSHDSACASA-N 0 0 430.814 3.531 50 0 IHAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCCCc4ccco4)cc3c2=O)cc1 ZINC000021538613 524261224 /nfs/dbraw/zinc/26/12/24/524261224.db2.gz JVOMEGWKSXTFMT-UHFFFAOYSA-N 0 0 431.492 3.717 50 0 IHAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)N4CCCC[C@H]4C)c3c2=O)cc1 ZINC000035399706 524263914 /nfs/dbraw/zinc/26/39/14/524263914.db2.gz LTAHQENXKHBYRV-GOSISDBHSA-N 0 0 444.535 3.809 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccc(F)cc1)c(C)n2C ZINC000035448337 524270250 /nfs/dbraw/zinc/27/02/50/524270250.db2.gz ITFLZQDPVPBMRE-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)Cc3nccs3)c2C2CC2)n1 ZINC000012098404 524275566 /nfs/dbraw/zinc/27/55/66/524275566.db2.gz QMRRKZSARXWESY-UHFFFAOYSA-N 0 0 446.536 3.944 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c(C)c1 ZINC000012929535 524317630 /nfs/dbraw/zinc/31/76/30/524317630.db2.gz JRYBDTZJRBRELN-UHFFFAOYSA-N 0 0 443.544 3.912 50 0 IHAARN COc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)CC(C)C ZINC000035766911 524337473 /nfs/dbraw/zinc/33/74/73/524337473.db2.gz KCTAGTHULLTUNB-HXUWFJFHSA-N 0 0 428.529 3.594 50 0 IHAARN COc1ccccc1C(=O)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000014956168 524353023 /nfs/dbraw/zinc/35/30/23/524353023.db2.gz BKRQXELVSRPDKA-GOSISDBHSA-N 0 0 438.553 3.536 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 ZINC000012905722 524363479 /nfs/dbraw/zinc/36/34/79/524363479.db2.gz KCVXAKJFDOIYIN-UHFFFAOYSA-N 0 0 440.609 3.851 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000015951871 524364333 /nfs/dbraw/zinc/36/43/33/524364333.db2.gz GHGWFTKUWHOESC-UHFFFAOYSA-N 0 0 448.932 3.523 50 0 IHAARN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c(C)c1 ZINC000012772862 524381337 /nfs/dbraw/zinc/38/13/37/524381337.db2.gz ZVWKPSYUBYYPGU-UHFFFAOYSA-N 0 0 439.375 3.588 50 0 IHAARN COc1ccccc1CC(=O)Nc1cnn(CC(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000012199578 524385020 /nfs/dbraw/zinc/38/50/20/524385020.db2.gz AOOCVALEVACWKQ-UHFFFAOYSA-N 0 0 446.551 3.701 50 0 IHAARN COc1ccccc1CCC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000012323240 524392617 /nfs/dbraw/zinc/39/26/17/524392617.db2.gz ZFDHJZYKCHTQMH-UHFFFAOYSA-N 0 0 433.552 3.803 50 0 IHAARN COc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021862552 524397685 /nfs/dbraw/zinc/39/76/85/524397685.db2.gz MWPZXTDUCCVKAF-AREMUKBSSA-N 0 0 446.551 3.925 50 0 IHAARN COc1ccccc1CN1C[C@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCC1=O ZINC000012440168 524455197 /nfs/dbraw/zinc/45/51/97/524455197.db2.gz GTZIPFVVKIZZMI-JOCHJYFZSA-N 0 0 434.536 3.555 50 0 IHAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1Cc1ccccc1 ZINC000016274104 524480025 /nfs/dbraw/zinc/48/00/25/524480025.db2.gz RIEPYYPQHAVYFE-UHFFFAOYSA-N 0 0 438.549 3.902 50 0 IHAARN COc1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)cc1NC(C)=O ZINC000012758487 524487953 /nfs/dbraw/zinc/48/79/53/524487953.db2.gz JOUGRQRTVFOQSQ-UHFFFAOYSA-N 0 0 425.514 3.912 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000012912742 524488434 /nfs/dbraw/zinc/48/84/34/524488434.db2.gz ZLMJZGXHVBZEFV-UHFFFAOYSA-N 0 0 434.492 3.994 50 0 IHAARN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)CCc4ccccn4)CC3)cc2)n1 ZINC000012320604 524489693 /nfs/dbraw/zinc/48/96/93/524489693.db2.gz SUSKBVGXQKVYNF-UHFFFAOYSA-N 0 0 431.540 3.694 50 0 IHAARN Cc1cc(C)n(-c2nnc3c4ccccc4n(CC(=O)NCCC4=CCCCC4)c3n2)n1 ZINC000033330815 524500045 /nfs/dbraw/zinc/50/00/45/524500045.db2.gz ZEHQOXBZQCVNMM-UHFFFAOYSA-N 0 0 429.528 3.789 50 0 IHAARN Cc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000012414855 524506028 /nfs/dbraw/zinc/50/60/28/524506028.db2.gz CLNRRHLSCBGGCN-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)CC1 ZINC000035482330 524550236 /nfs/dbraw/zinc/55/02/36/524550236.db2.gz QFLKKFWCFPQIBK-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN Cc1cc(C)n2nc(N(Cc3cccc(F)c3)S(=O)(=O)c3ccc(Cl)cc3)nc2n1 ZINC000021660030 524570417 /nfs/dbraw/zinc/57/04/17/524570417.db2.gz XCCOQQWSULVPRP-UHFFFAOYSA-N 0 0 445.907 3.929 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1OC ZINC000021156679 524580106 /nfs/dbraw/zinc/58/01/06/524580106.db2.gz OZSVDGUZQDFQCY-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908218 524583698 /nfs/dbraw/zinc/58/36/98/524583698.db2.gz KBPHIQCOYBMOTR-HXUWFJFHSA-N 0 0 435.549 3.611 50 0 IHAARN COc1ccccc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021763136 524593803 /nfs/dbraw/zinc/59/38/03/524593803.db2.gz XKBNZOVMFFWYDR-UHFFFAOYSA-N 0 0 437.418 3.507 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000035483882 524599509 /nfs/dbraw/zinc/59/95/09/524599509.db2.gz QXGDUYIGDSSFHW-UHFFFAOYSA-N 0 0 430.493 3.783 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000012733593 524614239 /nfs/dbraw/zinc/61/42/39/524614239.db2.gz WBGGVJIFLVGPHI-GFCCVEGCSA-N 0 0 435.354 3.855 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000012798393 524636271 /nfs/dbraw/zinc/63/62/71/524636271.db2.gz KBPZSTGUZDHYAQ-UHFFFAOYSA-N 0 0 437.883 3.969 50 0 IHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC(F)F ZINC000012777224 524644351 /nfs/dbraw/zinc/64/43/51/524644351.db2.gz ATIOZZYJDTXFOC-UHFFFAOYSA-N 0 0 440.468 3.724 50 0 IHAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)n1 ZINC000020575217 524650341 /nfs/dbraw/zinc/65/03/41/524650341.db2.gz CVHWODYNIJRZEB-MRXNPFEDSA-N 0 0 432.459 3.982 50 0 IHAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000021038493 524650569 /nfs/dbraw/zinc/65/05/69/524650569.db2.gz XMCUVZMBZKWSMP-UHFFFAOYSA-N 0 0 436.512 3.813 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020717010 524669988 /nfs/dbraw/zinc/66/99/88/524669988.db2.gz CRWQYMRQRZVRIK-QHCPKHFHSA-N 0 0 429.476 3.989 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012877488 524673615 /nfs/dbraw/zinc/67/36/15/524673615.db2.gz ZFOVXFNSELQDIG-MRXNPFEDSA-N 0 0 431.539 3.789 50 0 IHAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)N(c3ccccc3)C(C)C)[nH]c2=O)cc1 ZINC000022721019 524696028 /nfs/dbraw/zinc/69/60/28/524696028.db2.gz NBTCNCSBTCVOKL-UHFFFAOYSA-N 0 0 448.552 3.658 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc[nH]c3=S)c2)cc1 ZINC000012526021 524696214 /nfs/dbraw/zinc/69/62/14/524696214.db2.gz DWMMATQXJHQCQI-UHFFFAOYSA-N 0 0 431.495 3.511 50 0 IHAARN COc1ccc(Nc2nc(Nc3cc(Cl)ccc3OC)nc(N3CCOCC3)n2)cc1 ZINC000012235218 524720154 /nfs/dbraw/zinc/72/01/54/524720154.db2.gz FGEKSZWTQJFREG-UHFFFAOYSA-N 0 0 442.907 3.866 50 0 IHAARN C[C@@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 ZINC000012873360 524726183 /nfs/dbraw/zinc/72/61/83/524726183.db2.gz BMRZSCQOUYDVSK-CYBMUJFWSA-N 0 0 445.566 3.768 50 0 IHAARN Cc1cccc(OCCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000016277561 524734927 /nfs/dbraw/zinc/73/49/27/524734927.db2.gz BLTFAQGLPLSIKL-UHFFFAOYSA-N 0 0 434.533 3.508 50 0 IHAARN Cc1ccc(Cn2c(=O)c3nn(C)cc3nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000033265308 524764735 /nfs/dbraw/zinc/76/47/35/524764735.db2.gz CCTKRORKUYABPS-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000012912082 524790036 /nfs/dbraw/zinc/79/00/36/524790036.db2.gz ZAJHCWXZMGZGSI-QFIPXVFZSA-N 0 0 446.551 3.634 50 0 IHAARN COc1ccc(OC)c(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000012350185 524801876 /nfs/dbraw/zinc/80/18/76/524801876.db2.gz KQVVFOHPXSFMOS-ZRZCPFIBSA-N 0 0 438.480 3.600 50 0 IHAARN COc1ccc(OC)c(NC(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000012523480 524851990 /nfs/dbraw/zinc/85/19/90/524851990.db2.gz YRCMQKGXMZHZHD-CYBMUJFWSA-N 0 0 440.529 3.648 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O ZINC000012523229 524865231 /nfs/dbraw/zinc/86/52/31/524865231.db2.gz NGAHPAQTJJMACX-OSPHWJPCSA-N 0 0 426.561 3.752 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 ZINC000012788284 524866670 /nfs/dbraw/zinc/86/66/70/524866670.db2.gz CQLNFCOUZXKYSA-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000012776775 524882271 /nfs/dbraw/zinc/88/22/71/524882271.db2.gz UAYHAOWEORBWKC-CQSZACIVSA-N 0 0 441.553 3.622 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1F ZINC000012790931 524913727 /nfs/dbraw/zinc/91/37/27/524913727.db2.gz IWBHKYORUUQHAL-UKYUDJEDSA-N 0 0 434.508 3.855 50 0 IHAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000012448123 524926430 /nfs/dbraw/zinc/92/64/30/524926430.db2.gz QFZXDWBRPJSYPW-QHCPKHFHSA-N 0 0 437.540 3.847 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033067983 524936676 /nfs/dbraw/zinc/93/66/76/524936676.db2.gz GRSWGUGBFQPWQD-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN COc1ccc(OCCOC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012903366 524961500 /nfs/dbraw/zinc/96/15/00/524961500.db2.gz XITGXAXPKOLRCB-KIZRYQFWSA-N 0 0 427.541 3.825 50 0 IHAARN COc1ccc(OC[C@@H]2CCCN(C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 ZINC000014967716 524967443 /nfs/dbraw/zinc/96/74/43/524967443.db2.gz VCNLPQOCVUPGEM-KBMIEXCESA-N 0 0 440.540 3.577 50 0 IHAARN COc1ccc(OC[C@@H]2CCCN(C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 ZINC000014967725 524967542 /nfs/dbraw/zinc/96/75/42/524967542.db2.gz VCNLPQOCVUPGEM-CLOONOSVSA-N 0 0 440.540 3.577 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2cccs2)nc1C ZINC000017345214 524999400 /nfs/dbraw/zinc/99/94/00/524999400.db2.gz DFVILDPPIKUMPO-UHFFFAOYSA-N 0 0 437.568 3.691 50 0 IHAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCCCc1ccccc1)c(C)n2C ZINC000035510840 525003307 /nfs/dbraw/zinc/00/33/07/525003307.db2.gz WTRDGYVAZQDXJQ-UHFFFAOYSA-N 0 0 442.563 3.998 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035399338 525023537 /nfs/dbraw/zinc/02/35/37/525023537.db2.gz NMWPMAOETXCIEQ-UHFFFAOYSA-N 0 0 439.537 3.600 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccc(F)cc1 ZINC000012848154 525027881 /nfs/dbraw/zinc/02/78/81/525027881.db2.gz FAVZYAPXNIMNDJ-UHFFFAOYSA-N 0 0 434.533 3.671 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@H](C)O1 ZINC000012778396 525028027 /nfs/dbraw/zinc/02/80/27/525028027.db2.gz CUKXQQBGRAJYOS-GASCZTMLSA-N 0 0 430.574 3.989 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCOc1ccccc1 ZINC000012778987 525028068 /nfs/dbraw/zinc/02/80/68/525028068.db2.gz LAFOFNQWPKUZIC-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Br ZINC000012931483 525047007 /nfs/dbraw/zinc/04/70/07/525047007.db2.gz AXGSJWGBXAIFPB-HNNXBMFYSA-N 0 0 428.334 3.970 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1 ZINC000015302649 525049294 /nfs/dbraw/zinc/04/92/94/525049294.db2.gz GEZXTIOQBJBJPO-IAGOWNOFSA-N 0 0 428.554 3.616 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl ZINC000012556154 525057657 /nfs/dbraw/zinc/05/76/57/525057657.db2.gz HZJIFVUMDDUAGB-OAQYLSRUSA-N 0 0 427.932 3.867 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(C)cc4)nn3c2C)cc1 ZINC000015823512 525059526 /nfs/dbraw/zinc/05/95/26/525059526.db2.gz JJXOWWSSKURAHA-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000034900500 525060305 /nfs/dbraw/zinc/06/03/05/525060305.db2.gz UVDBDLQCQXEBCI-YMPZKCBVSA-N 0 0 439.600 3.581 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907965 525062401 /nfs/dbraw/zinc/06/24/01/525062401.db2.gz ATQVWSZHOFYTCV-NRFANRHFSA-N 0 0 428.579 3.835 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1 ZINC000035531760 525085634 /nfs/dbraw/zinc/08/56/34/525085634.db2.gz NTDMINZIQDUBTO-UHFFFAOYSA-N 0 0 427.555 3.801 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F ZINC000012790667 525133699 /nfs/dbraw/zinc/13/36/99/525133699.db2.gz IBFJXEPVTHLZHJ-GFCCVEGCSA-N 0 0 429.517 3.821 50 0 IHAARN Cc1cc(NC(=O)Cc2cccc(C)c2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661234 525163689 /nfs/dbraw/zinc/16/36/89/525163689.db2.gz FBBMHIPHELKUCD-UHFFFAOYSA-N 0 0 441.470 3.938 50 0 IHAARN COc1ccc([C@@H](CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020560994 525172281 /nfs/dbraw/zinc/17/22/81/525172281.db2.gz DGKVUVMUOXCXAE-OAQYLSRUSA-N 0 0 431.492 3.502 50 0 IHAARN COc1ccc([C@@H](CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)NC(C)=O)cc1 ZINC000021495363 525172721 /nfs/dbraw/zinc/17/27/21/525172721.db2.gz IVKIGMYPMRADKT-FOIQADDNSA-N 0 0 430.574 3.590 50 0 IHAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C(=O)NC(C)C)C2CC2)n1CC(C)C ZINC000036040503 525181674 /nfs/dbraw/zinc/18/16/74/525181674.db2.gz OTKSIFBBQYALOO-UHFFFAOYSA-N 0 0 446.617 3.904 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl ZINC000012689006 525196940 /nfs/dbraw/zinc/19/69/40/525196940.db2.gz PLEZGBJXKWKUFL-APWZRJJASA-N 0 0 429.904 3.662 50 0 IHAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 ZINC000012558119 525197856 /nfs/dbraw/zinc/19/78/56/525197856.db2.gz ZYLYNUFXIBTRGB-UHFFFAOYSA-N 0 0 441.578 3.718 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)no1 ZINC000012136297 525212213 /nfs/dbraw/zinc/21/22/13/525212213.db2.gz KRMALLFWOFGABE-QGZVFWFLSA-N 0 0 440.573 3.728 50 0 IHAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 ZINC000035485607 525217434 /nfs/dbraw/zinc/21/74/34/525217434.db2.gz LTPSFSITJKQBID-DQEYMECFSA-N 0 0 427.548 3.684 50 0 IHAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000012889624 525232110 /nfs/dbraw/zinc/23/21/10/525232110.db2.gz KEZZOYGAELCADU-FXAWDEMLSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1ccccc1NC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O ZINC000033267302 525244313 /nfs/dbraw/zinc/24/43/13/525244313.db2.gz GGRMIRPSRNTKKU-UHFFFAOYSA-N 0 0 438.491 3.628 50 0 IHAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012816981 525256827 /nfs/dbraw/zinc/25/68/27/525256827.db2.gz IFRYDSNVTZBPAI-QGZVFWFLSA-N 0 0 449.473 3.665 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CSc3nnnn3-c3ccc(C)c(C)c3)s2)cc1 ZINC000012753101 525262000 /nfs/dbraw/zinc/26/20/00/525262000.db2.gz SNKBNICEGXZTAB-UHFFFAOYSA-N 0 0 437.554 3.984 50 0 IHAARN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl ZINC000012891044 525303415 /nfs/dbraw/zinc/30/34/15/525303415.db2.gz VKQXRROIIMVFEN-GTJPDFRWSA-N 0 0 432.307 3.780 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CN2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000035404625 525305527 /nfs/dbraw/zinc/30/55/27/525305527.db2.gz VQNJMSKQCSHBKF-SFHVURJKSA-N 0 0 434.515 3.987 50 0 IHAARN Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3cccc(F)c3)nc12 ZINC000035371839 525325011 /nfs/dbraw/zinc/32/50/11/525325011.db2.gz JTNAPDFIMMQFFC-UHFFFAOYSA-N 0 0 443.438 3.923 50 0 IHAARN Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000022929891 525351234 /nfs/dbraw/zinc/35/12/34/525351234.db2.gz PGAASDMXSXCOKH-MRXNPFEDSA-N 0 0 436.419 3.814 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000008987078 525351798 /nfs/dbraw/zinc/35/17/98/525351798.db2.gz RYGSXYATUCMMAP-MRXNPFEDSA-N 0 0 426.476 3.677 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c(F)c1 ZINC000009596253 534850945 /nfs/dbraw/zinc/85/09/45/534850945.db2.gz DNZKOBFLJKHMNF-UHFFFAOYSA-N 0 0 443.906 3.771 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000012865622 525380769 /nfs/dbraw/zinc/38/07/69/525380769.db2.gz UWTGYNAKLDLHOU-ZENTWMBTSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN Cc1ccc(OCC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c2c1[C@H](C)CC2=O ZINC000012738284 525397864 /nfs/dbraw/zinc/39/78/64/525397864.db2.gz OTNWBMMBHCSSIZ-OAGGEKHMSA-N 0 0 443.569 3.768 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c(OC)c1 ZINC000015670329 525402579 /nfs/dbraw/zinc/40/25/79/525402579.db2.gz KBDOGSAREUCWGC-GOSISDBHSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059819 525419442 /nfs/dbraw/zinc/41/94/42/525419442.db2.gz BIYUVEABGBFIHG-YADHBBJMSA-N 0 0 438.568 3.998 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1 ZINC000012774334 525446993 /nfs/dbraw/zinc/44/69/93/525446993.db2.gz MDPBSIUYXYOLSD-UHFFFAOYSA-N 0 0 431.539 3.533 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3F)nc12 ZINC000033067846 525460853 /nfs/dbraw/zinc/46/08/53/525460853.db2.gz OATALQFPJHUMDI-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000012784949 525479259 /nfs/dbraw/zinc/47/92/59/525479259.db2.gz YMDWRZWERPPICJ-UKRRQHHQSA-N 0 0 434.480 3.787 50 0 IHAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000033141919 525480310 /nfs/dbraw/zinc/48/03/10/525480310.db2.gz ZTJQHRBEYBZUSN-UHFFFAOYSA-N 0 0 446.507 3.839 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012794858 525486961 /nfs/dbraw/zinc/48/69/61/525486961.db2.gz OVOHQEXYOAMONI-HXUWFJFHSA-N 0 0 429.538 3.684 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1C ZINC000012769333 525494791 /nfs/dbraw/zinc/49/47/91/525494791.db2.gz FZDGEPKGFSZCEL-UHFFFAOYSA-N 0 0 447.557 3.749 50 0 IHAARN Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000020323494 525515878 /nfs/dbraw/zinc/51/58/78/525515878.db2.gz FAPAKRWEXBCITG-BZZOAKBMSA-N 0 0 433.489 3.788 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCCC4)CC2)cc1C ZINC000012758734 525520094 /nfs/dbraw/zinc/52/00/94/525520094.db2.gz FSHNHRDYIIFPLK-UHFFFAOYSA-N 0 0 433.599 3.678 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000012811885 525527270 /nfs/dbraw/zinc/52/72/70/525527270.db2.gz PDDWTTZJNDKMBP-GOSISDBHSA-N 0 0 429.567 3.811 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3N3CCCC3)C2)s1 ZINC000022694633 525532290 /nfs/dbraw/zinc/53/22/90/525532290.db2.gz MIIJBJCGLIFFDL-QGZVFWFLSA-N 0 0 433.599 3.696 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(COc4ccccc4)o3)C2)cc1C ZINC000023140414 525535552 /nfs/dbraw/zinc/53/55/52/525535552.db2.gz XLVXVRJTTVPQTH-SFHVURJKSA-N 0 0 427.526 3.834 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3coc(-c4ccc(C)cc4C)n3)CC2)cc1 ZINC000012794236 525544747 /nfs/dbraw/zinc/54/47/47/525544747.db2.gz RZAPCTOFJVEDIW-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN COc1ccc2c(c1)C[C@H](NC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)CO2 ZINC000015787368 525544912 /nfs/dbraw/zinc/54/49/12/525544912.db2.gz WPCOFWHOZMKUQV-KRWDZBQOSA-N 0 0 435.446 3.549 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000035911111 525550350 /nfs/dbraw/zinc/55/03/50/525550350.db2.gz UBEVIYVTEMTAGA-LADGPHEKSA-N 0 0 425.548 3.864 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535218 525607007 /nfs/dbraw/zinc/60/70/07/525607007.db2.gz KLYBIQHNTCFTGM-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020560077 525609952 /nfs/dbraw/zinc/60/99/52/525609952.db2.gz LBFLIVPRHWQQAU-GOSISDBHSA-N 0 0 442.556 3.712 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCCCCC4)nc23)cc1 ZINC000020516303 525636778 /nfs/dbraw/zinc/63/67/78/525636778.db2.gz PMKMUCUXLHWDAO-UHFFFAOYSA-N 0 0 427.555 3.861 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(C(C)=O)cc4)c3)cn2n1 ZINC000012441337 525655193 /nfs/dbraw/zinc/65/51/93/525655193.db2.gz ZLVKMFSEDIERLN-UHFFFAOYSA-N 0 0 436.493 3.717 50 0 IHAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC)c(O)c3)sc2c1 ZINC000033271629 525657207 /nfs/dbraw/zinc/65/72/07/525657207.db2.gz GFIYRVKNAHIMOZ-AWEZNQCLSA-N 0 0 436.493 3.987 50 0 IHAARN Cc1c(C(=O)[O-])sc2ncnc(NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c12 ZINC000021715896 525667201 /nfs/dbraw/zinc/66/72/01/525667201.db2.gz LQROSRVURVDXJC-UHFFFAOYSA-N 0 0 439.585 3.939 50 0 IHAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c2cc1C ZINC000032944984 525668402 /nfs/dbraw/zinc/66/84/02/525668402.db2.gz PUXUJNFCFAKGLZ-ZDUSSCGKSA-N 0 0 447.413 3.638 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCCCc3ccccc3)c(=O)c12 ZINC000021885744 525678419 /nfs/dbraw/zinc/67/84/19/525678419.db2.gz XNEJGPZQEUFZIX-UHFFFAOYSA-N 0 0 428.536 3.943 50 0 IHAARN Cc1c(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@H]2CCCO2)cnn1C ZINC000012332529 525700984 /nfs/dbraw/zinc/70/09/84/525700984.db2.gz MAUCBXLCCSGRQX-OAQYLSRUSA-N 0 0 440.617 3.732 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)c1 ZINC000035268879 525705761 /nfs/dbraw/zinc/70/57/61/525705761.db2.gz FUNRVEXOEFXIEI-UHFFFAOYSA-N 0 0 426.879 3.907 50 0 IHAARN COc1cccc(-n2cnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)c1 ZINC000012532742 525753130 /nfs/dbraw/zinc/75/31/30/525753130.db2.gz UDRAMIKXAMCPMK-LJQANCHMSA-N 0 0 430.530 3.781 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21 ZINC000035558910 525763300 /nfs/dbraw/zinc/76/33/00/525763300.db2.gz KQBOQFBJUVCWRE-UHFFFAOYSA-N 0 0 441.915 3.639 50 0 IHAARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC[C@H]4CCCO4)n32)cc1 ZINC000012462063 525825366 /nfs/dbraw/zinc/82/53/66/525825366.db2.gz IVPJDOKMWPSRPH-QGZVFWFLSA-N 0 0 433.537 3.640 50 0 IHAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)Nc3ccc(Cl)cc3)CCC2)cc1 ZINC000021807773 525827361 /nfs/dbraw/zinc/82/73/61/525827361.db2.gz AYHMCHQPCWJHSG-UHFFFAOYSA-N 0 0 433.899 3.647 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 ZINC000021797186 525831336 /nfs/dbraw/zinc/83/13/36/525831336.db2.gz SINFZZPPGAJMJP-UHFFFAOYSA-N 0 0 447.495 3.620 50 0 IHAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009765427 525841213 /nfs/dbraw/zinc/84/12/13/525841213.db2.gz LPEDLMVKINCGSP-UHFFFAOYSA-N 0 0 438.535 3.659 50 0 IHAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)c1ccccc1 ZINC000021841639 525885898 /nfs/dbraw/zinc/88/58/98/525885898.db2.gz STWBLQASPBYAEQ-OAHLLOKOSA-N 0 0 435.446 3.912 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021856905 525887602 /nfs/dbraw/zinc/88/76/02/525887602.db2.gz SYDLVRIDEYHYDA-MGPUTAFESA-N 0 0 439.487 3.812 50 0 IHAARN C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F ZINC000012756798 525888736 /nfs/dbraw/zinc/88/87/36/525888736.db2.gz WNPUAONVNCSGKS-HKDMESQWSA-N 0 0 442.531 3.903 50 0 IHAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)N2CCOc4ccc(C)cc42)c3=O)cc1 ZINC000033300060 525888724 /nfs/dbraw/zinc/88/87/24/525888724.db2.gz DHYAWCRGFPSAJQ-UHFFFAOYSA-N 0 0 432.505 3.562 50 0 IHAARN C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012890352 525893346 /nfs/dbraw/zinc/89/33/46/525893346.db2.gz SPFNRLFFWAOSKG-SCUMNGBJSA-N 0 0 431.554 3.557 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N(C(C)C)C(C)C)c2=O)cc1 ZINC000012140781 525893543 /nfs/dbraw/zinc/89/35/43/525893543.db2.gz MCXORBGCULBZTI-UHFFFAOYSA-N 0 0 433.508 3.852 50 0 IHAARN COc1cccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1OC ZINC000012792253 525908582 /nfs/dbraw/zinc/90/85/82/525908582.db2.gz UMCQVEAOLGBIPO-HXUWFJFHSA-N 0 0 440.540 3.661 50 0 IHAARN Cc1ccc(-n2ncc(C(=O)N3CCC4(CC3)OCCO4)c2-n2cccc2)cc1Cl ZINC000022520013 525931538 /nfs/dbraw/zinc/93/15/38/525931538.db2.gz ZWULRHVRGZDNFU-UHFFFAOYSA-N 0 0 426.904 3.604 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885300 525994934 /nfs/dbraw/zinc/99/49/34/525994934.db2.gz GKOGMENVDPUOHB-LJQANCHMSA-N 0 0 446.507 3.682 50 0 IHAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021242897 526010369 /nfs/dbraw/zinc/01/03/69/526010369.db2.gz YWHPOUZNVXRQIV-IBGZPJMESA-N 0 0 447.608 3.970 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000012512411 526012397 /nfs/dbraw/zinc/01/23/97/526012397.db2.gz KKKCJSIQZGOHHW-NVXWUHKLSA-N 0 0 428.583 3.695 50 0 IHAARN COc1cccc(CSc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(=O)[nH]2)c1 ZINC000023138555 526067657 /nfs/dbraw/zinc/06/76/57/526067657.db2.gz AYPFOJQISGMNSA-UHFFFAOYSA-N 0 0 443.956 3.892 50 0 IHAARN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCc3ccccn3)ccc12 ZINC000034836003 526143389 /nfs/dbraw/zinc/14/33/89/526143389.db2.gz JCLDXBSRJAQWHT-UHFFFAOYSA-N 0 0 445.494 3.630 50 0 IHAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 ZINC000015222194 526150809 /nfs/dbraw/zinc/15/08/09/526150809.db2.gz ORFKTQHXUNVXIG-UTKZUKDTSA-N 0 0 437.492 3.548 50 0 IHAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 ZINC000012635241 526157588 /nfs/dbraw/zinc/15/75/88/526157588.db2.gz SAXZSYMUTZDBMI-GOSISDBHSA-N 0 0 427.570 3.641 50 0 IHAARN CSc1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000016282151 526167442 /nfs/dbraw/zinc/16/74/42/526167442.db2.gz NVLJBLLDBVELPP-UHFFFAOYSA-N 0 0 443.388 3.884 50 0 IHAARN Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034724337 526175070 /nfs/dbraw/zinc/17/50/70/526175070.db2.gz VRKHBSOPUMPFPR-SFHVURJKSA-N 0 0 441.959 3.972 50 0 IHAARN COc1cccc(NC(=O)COc2ccc(C(=O)OCc3noc(-c4ccco4)n3)cc2)c1 ZINC000024044905 526178475 /nfs/dbraw/zinc/17/84/75/526178475.db2.gz MOAIKZNNTKPAQU-UHFFFAOYSA-N 0 0 449.419 3.713 50 0 IHAARN Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1ccc(F)cc1 ZINC000015447814 526202937 /nfs/dbraw/zinc/20/29/37/526202937.db2.gz KRNDRUAQLLAMMW-UHFFFAOYSA-N 0 0 432.499 3.844 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000021097266 526218247 /nfs/dbraw/zinc/21/82/47/526218247.db2.gz UDURIJJVANZIFY-CQSZACIVSA-N 0 0 437.525 3.653 50 0 IHAARN CSc1ncc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1-c1ccc(F)cc1 ZINC000032999970 526219592 /nfs/dbraw/zinc/21/95/92/526219592.db2.gz VWIGYERLQFWQSY-KRWDZBQOSA-N 0 0 446.573 3.598 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1-n1cccc1 ZINC000012735568 526223433 /nfs/dbraw/zinc/22/34/33/526223433.db2.gz QPIRPHDZUFQVLH-UHFFFAOYSA-N 0 0 437.443 3.879 50 0 IHAARN CSc1nnc(C)c(=O)n1COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016047705 526226668 /nfs/dbraw/zinc/22/66/68/526226668.db2.gz WYNIYEKIZVAIGK-UHFFFAOYSA-N 0 0 427.326 3.521 50 0 IHAARN CSc1nnc(NC(=O)CCc2nc(CSc3nc4cc(C)ccc4o3)no2)s1 ZINC000021355536 526227968 /nfs/dbraw/zinc/22/79/68/526227968.db2.gz LWTNWVVJLOLCPU-UHFFFAOYSA-N 0 0 448.555 3.956 50 0 IHAARN Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000012800073 526247032 /nfs/dbraw/zinc/24/70/32/526247032.db2.gz FMWNMVHFQWGGAR-GOSISDBHSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1cc(C(=O)N2CCOc3c(cc(-c4ccccc4C)cc3O[C@H]3CCOC3)C2)n(C)n1 ZINC000012166596 526256545 /nfs/dbraw/zinc/25/65/45/526256545.db2.gz VXEWRGNYANRWFB-NRFANRHFSA-N 0 0 447.535 3.906 50 0 IHAARN Cc1cc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c2ccc(F)cc2n1 ZINC000012750126 526260908 /nfs/dbraw/zinc/26/09/08/526260908.db2.gz ZLPWZWGGPTWZPX-QHCPKHFHSA-N 0 0 433.483 3.998 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1Br ZINC000015358879 526294424 /nfs/dbraw/zinc/29/44/24/526294424.db2.gz ZMMFKRWFGDXOJB-UHFFFAOYSA-N 0 0 434.359 3.789 50 0 IHAARN O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012900540 526306034 /nfs/dbraw/zinc/30/60/34/526306034.db2.gz CLPRRILOWUFJJW-GOEBONIOSA-N 0 0 436.482 3.541 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000012751661 526308169 /nfs/dbraw/zinc/30/81/69/526308169.db2.gz NNHPQXNBUDMEBI-AWEZNQCLSA-N 0 0 446.479 3.507 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCN1C(=O)SC(=Cc2ccccc2)C1=O ZINC000012775466 526386493 /nfs/dbraw/zinc/38/64/93/526386493.db2.gz GYQLIHXKORPZIH-JCMHNJIXSA-N 0 0 448.544 3.991 50 0 IHAARN O=C(CCC1=NN[C@@H](SCc2cccc(F)c2)N(c2ccccc2)C1=O)N1CCCC1 ZINC000021161674 526393447 /nfs/dbraw/zinc/39/34/47/526393447.db2.gz LJPNJKNFRWLWFX-HSZRJFAPSA-N 0 0 440.544 3.738 50 0 IHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012459564 526402434 /nfs/dbraw/zinc/40/24/34/526402434.db2.gz VXLDTLNGOBAHSU-SFHVURJKSA-N 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/nfs/dbraw/zinc/08/65/72/527086572.db2.gz JGYMGBYBHVYYGK-KRWDZBQOSA-N 0 0 447.335 3.732 50 0 IHAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1 ZINC000015391311 527109931 /nfs/dbraw/zinc/10/99/31/527109931.db2.gz TXDZRFYJLBXREJ-KRWDZBQOSA-N 0 0 426.991 3.694 50 0 IHAARN Cc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)ccc2n1-c1ccccc1 ZINC000012531348 527119300 /nfs/dbraw/zinc/11/93/00/527119300.db2.gz FQWURFFCSYDHGP-UHFFFAOYSA-N 0 0 434.521 3.837 50 0 IHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022860162 527127187 /nfs/dbraw/zinc/12/71/87/527127187.db2.gz SJFQBDFFFYSSPN-RMKNXTFCSA-N 0 0 425.532 3.767 50 0 IHAARN O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1CCCN1CCOCC1 ZINC000012608720 527134118 /nfs/dbraw/zinc/13/41/18/527134118.db2.gz IYPZLKHYBCAAOW-FQEVSTJZSA-N 0 0 448.336 3.877 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1cccc(Cl)c1 ZINC000012233125 527136850 /nfs/dbraw/zinc/13/68/50/527136850.db2.gz SHVNYXMEXUPSKK-MRXNPFEDSA-N 0 0 437.912 3.911 50 0 IHAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)NCCN1CCN(c2ccccc2F)CC1 ZINC000020998274 527150005 /nfs/dbraw/zinc/15/00/05/527150005.db2.gz YAIDOBYPYPETLS-XMMPIXPASA-N 0 0 438.522 3.684 50 0 IHAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCCc1ccccc1Cl ZINC000012589849 527152928 /nfs/dbraw/zinc/15/29/28/527152928.db2.gz JCRZSFOROVKOIF-QHCPKHFHSA-N 0 0 435.955 3.543 50 0 IHAARN Cn1cc(C(=O)Nc2ccc(Cl)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149042 527172017 /nfs/dbraw/zinc/17/20/17/527172017.db2.gz WMWNPVICIRFGAM-UHFFFAOYSA-N 0 0 429.263 3.577 50 0 IHAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000015432102 527184448 /nfs/dbraw/zinc/18/44/48/527184448.db2.gz RGEHZEHDJQMCKD-AWEZNQCLSA-N 0 0 429.325 3.703 50 0 IHAARN O=S(=O)(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 ZINC000024527874 527209311 /nfs/dbraw/zinc/20/93/11/527209311.db2.gz TZTXWZLLNZJMRJ-UHFFFAOYSA-N 0 0 425.885 3.763 50 0 IHAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000042382818 527225471 /nfs/dbraw/zinc/22/54/71/527225471.db2.gz BUKWLWUYGKSOBK-UHFFFAOYSA-N 0 0 447.514 3.917 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000000809568 527227313 /nfs/dbraw/zinc/22/73/13/527227313.db2.gz BGSKCCDWYNTQDI-UHFFFAOYSA-N 0 0 435.505 3.692 50 0 IHAARN O=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000012753505 527248160 /nfs/dbraw/zinc/24/81/60/527248160.db2.gz QSPJNWDKUJGFPS-UHFFFAOYSA-N 0 0 449.381 3.969 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596941 527272171 /nfs/dbraw/zinc/27/21/71/527272171.db2.gz DKVUYKUJEBMBJS-AWEZNQCLSA-N 0 0 447.900 3.687 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000024376091 527272853 /nfs/dbraw/zinc/27/28/53/527272853.db2.gz HTQXMBYXBZGDOD-UHFFFAOYSA-N 0 0 441.937 3.702 50 0 IHAARN O=S(=O)(c1ccc(Cl)nc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000024710072 527273309 /nfs/dbraw/zinc/27/33/09/527273309.db2.gz WMLOZMUMCABNCY-UHFFFAOYSA-N 0 0 425.297 3.792 50 0 IHAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012784964 527273436 /nfs/dbraw/zinc/27/34/36/527273436.db2.gz RQYXBGQBHCNEGW-UHFFFAOYSA-N 0 0 435.908 3.641 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000021780168 527282845 /nfs/dbraw/zinc/28/28/45/527282845.db2.gz WVOMACRNFSAGNV-UHFFFAOYSA-N 0 0 426.929 3.652 50 0 IHAARN NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 ZINC000022520367 527306280 /nfs/dbraw/zinc/30/62/80/527306280.db2.gz IFKCDXIBALBRDA-UHFFFAOYSA-N 0 0 439.114 3.760 50 0 IHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012755055 527358376 /nfs/dbraw/zinc/35/83/76/527358376.db2.gz SIKHMXFFXVIKOM-UHFFFAOYSA-N 0 0 435.505 3.867 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2ccc(F)cc21)Nc1ccc(F)c(F)c1 ZINC000035535308 527365233 /nfs/dbraw/zinc/36/52/33/527365233.db2.gz GIPXQKHPGZSZLR-UHFFFAOYSA-N 0 0 437.377 3.684 50 0 IHAARN O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1 ZINC000035425048 527418180 /nfs/dbraw/zinc/41/81/80/527418180.db2.gz LBDGHKGDUNNYAX-UHFFFAOYSA-N 0 0 429.411 3.614 50 0 IHAARN Cn1ccnc1SCc1nc2ccccc2c(=O)n1CCCn1cnc2ccccc21 ZINC000012507107 527449786 /nfs/dbraw/zinc/44/97/86/527449786.db2.gz HUNZPGUZFKVNLZ-UHFFFAOYSA-N 0 0 430.537 3.862 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)cc2)n(-c2ccccc2)c(=O)n1CCc1ccccc1 ZINC000034692861 527459184 /nfs/dbraw/zinc/45/91/84/527459184.db2.gz RFLINEZZGOWYLF-UHFFFAOYSA-N 0 0 440.478 3.779 50 0 IHAARN O=C(NC1CCC(O)CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012604510 527500675 /nfs/dbraw/zinc/50/06/75/527500675.db2.gz DNRFMZUZPNVNNC-UHFFFAOYSA-N 0 0 443.352 3.828 50 0 IHAARN O=C(Nc1nc(CN2CCCC2)cs1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012786226 527508358 /nfs/dbraw/zinc/50/83/58/527508358.db2.gz HUSMSFCAJAUHDI-UHFFFAOYSA-N 0 0 431.521 3.690 50 0 IHAARN O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012829150 527510739 /nfs/dbraw/zinc/51/07/39/527510739.db2.gz JRUSIUZICURKEU-CQSZACIVSA-N 0 0 437.562 3.591 50 0 IHAARN O=C(NC1CCCCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035458563 527517539 /nfs/dbraw/zinc/51/75/39/527517539.db2.gz UXQVMTIXWQDQRJ-QHCPKHFHSA-N 0 0 431.536 3.901 50 0 IHAARN Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2ccco2)n1 ZINC000020946654 527520453 /nfs/dbraw/zinc/52/04/53/527520453.db2.gz XVBCZPBQYSJRMV-UHFFFAOYSA-N 0 0 428.246 3.516 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000020979256 527535232 /nfs/dbraw/zinc/53/52/32/527535232.db2.gz NZMUXIQKLZTOPA-UHFFFAOYSA-N 0 0 426.524 3.637 50 0 IHAARN O=C(Nc1nnc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)s1)c1ccccc1 ZINC000021356752 527536437 /nfs/dbraw/zinc/53/64/37/527536437.db2.gz BEXZIMBHYJAVSF-UHFFFAOYSA-N 0 0 439.478 3.861 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012926203 527540971 /nfs/dbraw/zinc/54/09/71/527540971.db2.gz FPRGHZSZEAXLGK-UHFFFAOYSA-N 0 0 431.323 3.842 50 0 IHAARN Nn1c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1-c1ccccc1F ZINC000012796408 527584319 /nfs/dbraw/zinc/58/43/19/527584319.db2.gz ZKBQKIRPLVGHDJ-UHFFFAOYSA-N 0 0 447.495 3.760 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)OCc1csc(-c2cccc(Br)c2)n1 ZINC000012741316 527606483 /nfs/dbraw/zinc/60/64/83/527606483.db2.gz XEEVWDYSEYVLII-UHFFFAOYSA-N 0 0 434.315 3.849 50 0 IHAARN O=C(/C=C/c1cccs1)NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 ZINC000012156498 527641115 /nfs/dbraw/zinc/64/11/15/527641115.db2.gz MPVBQOJDAWBQFI-ZGKFYVQTSA-N 0 0 440.594 3.989 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccc(C)cc1 ZINC000020239805 527655428 /nfs/dbraw/zinc/65/54/28/527655428.db2.gz DADMHAFRGHLSGH-UHFFFAOYSA-N 0 0 440.569 3.796 50 0 IHAARN CC1(C)Cc2c3c(N)c(C(=O)Nc4ccccc4)sc3nc(N3CCOCC3)c2CO1 ZINC000013800953 534943864 /nfs/dbraw/zinc/94/38/64/534943864.db2.gz AEMJFGSKZPGQOV-UHFFFAOYSA-N 0 0 438.553 3.819 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCc1ccc(Cl)cc1 ZINC000009530299 535003168 /nfs/dbraw/zinc/00/31/68/535003168.db2.gz WIDFNMRYDOQARZ-UHFFFAOYSA-N 0 0 437.974 3.664 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCc1cc(C(=O)OC)ccc1OC ZINC000009530289 535004815 /nfs/dbraw/zinc/00/48/15/535004815.db2.gz VFZORMPSJHMTMC-UHFFFAOYSA-N 0 0 434.539 3.690 50 0 IHAARN CC[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc2ccccc2c1=O ZINC000009187858 535403649 /nfs/dbraw/zinc/40/36/49/535403649.db2.gz ORSZVJOZJVYPPV-FQEVSTJZSA-N 0 0 444.457 3.715 50 0 IHAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(C)CC3)c2c1 ZINC000004313994 535444848 /nfs/dbraw/zinc/44/48/48/535444848.db2.gz YWZJRWZLIMYAMG-UHFFFAOYSA-N 0 0 425.554 3.527 50 0 IHAARN CCOc1ccccc1NC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211237 535518437 /nfs/dbraw/zinc/51/84/37/535518437.db2.gz IDAARKOQOFDGAC-UHFFFAOYSA-N 0 0 434.544 3.807 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1 ZINC000000806973 536842084 /nfs/dbraw/zinc/84/20/84/536842084.db2.gz NWROWGUHBUXGQI-UHFFFAOYSA-N 0 0 445.947 3.671 50 0 IHAARN COc1cccc2c1N(C(=O)CN1C(=O)CCC1=O)C(C)(C)c1ssc(=S)c1-2 ZINC000002230242 536958590 /nfs/dbraw/zinc/95/85/90/536958590.db2.gz SPXSQTQJWMCGFB-UHFFFAOYSA-N 0 0 434.564 3.945 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(C)c3)o2)c(OC)c1 ZINC000009115389 555506884 /nfs/dbraw/zinc/50/68/84/555506884.db2.gz UBNUFDMBJXPCGW-PMERELPUSA-N 0 0 427.522 3.886 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000000622918 555511098 /nfs/dbraw/zinc/51/10/98/555511098.db2.gz IRCOATLRBMKZPF-MUMAZLPKSA-N 0 0 444.965 3.513 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)c1 ZINC000000631139 555514808 /nfs/dbraw/zinc/51/48/08/555514808.db2.gz ZDTNYMGGJPQPLA-UHFFFAOYSA-N 0 0 440.477 3.520 50 0 IHAARN O=C(C[C@]1(O)C(=O)Nc2cc(Br)ccc21)c1ccc(Br)cc1 ZINC000000642095 555518681 /nfs/dbraw/zinc/51/86/81/555518681.db2.gz FHTNNIQJIDYYEK-MRXNPFEDSA-N 0 0 425.076 3.624 50 0 IHAARN CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccc(C)cc1 ZINC000000649417 555522410 /nfs/dbraw/zinc/52/24/10/555522410.db2.gz IFJIGWNFIKTEJN-UHFFFAOYSA-N 0 0 443.525 3.924 50 0 IHAARN COc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)cc2)cc1 ZINC000000652717 555523480 /nfs/dbraw/zinc/52/34/80/555523480.db2.gz XYIBKRXVGOHKHF-FQEVSTJZSA-N 0 0 426.366 3.695 50 0 IHAARN COc1cc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccco3)OC2=O)cc(OC)c1OC ZINC000000655837 555524770 /nfs/dbraw/zinc/52/47/70/555524770.db2.gz YGDQGNZOVYIWBT-LFIBNONCSA-N 0 0 449.415 3.869 50 0 IHAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000000656334 555525002 /nfs/dbraw/zinc/52/50/02/555525002.db2.gz JURQRNMTWRBEBP-UHFFFAOYSA-N 0 0 444.896 3.903 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC000000665243 555528032 /nfs/dbraw/zinc/52/80/32/555528032.db2.gz KGSMLEWQYOCSEE-MRXNPFEDSA-N 0 0 428.485 3.883 50 0 IHAARN COc1ccccc1OCC(=O)Nc1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000674032 555532769 /nfs/dbraw/zinc/53/27/69/555532769.db2.gz NHYCVIHOQMXORO-UHFFFAOYSA-N 0 0 436.464 3.739 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000000675464 555534315 /nfs/dbraw/zinc/53/43/15/555534315.db2.gz PNKPZOLPEWCXGO-UHFFFAOYSA-N 0 0 430.551 3.617 50 0 IHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000715859 555548629 /nfs/dbraw/zinc/54/86/29/555548629.db2.gz RVGYXHRCYNEXAK-UHFFFAOYSA-N 0 0 433.508 3.764 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CC(C)(C)OC2 ZINC000000717326 555548832 /nfs/dbraw/zinc/54/88/32/555548832.db2.gz FLRAHBUDZNPBKZ-CQSZACIVSA-N 0 0 435.542 3.981 50 0 biogenic IHAARN CCOc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 ZINC000000724577 555551103 /nfs/dbraw/zinc/55/11/03/555551103.db2.gz RGESQWFKVGEEPD-UHFFFAOYSA-N 0 0 426.279 3.817 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc3c(c1)OCCO3)CCCC2 ZINC000000724759 555551280 /nfs/dbraw/zinc/55/12/80/555551280.db2.gz YJFZXOWXGCZVNF-UHFFFAOYSA-N 0 0 446.550 3.702 50 0 IHAARN CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccccc2I)NC(=O)N1C ZINC000000728608 555552284 /nfs/dbraw/zinc/55/22/84/555552284.db2.gz VRYHSLZLJIINGD-MRXNPFEDSA-N 0 0 442.297 3.851 50 0 IHAARN Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)no1 ZINC000000806702 555559965 /nfs/dbraw/zinc/55/99/65/555559965.db2.gz JTMCMPVEOCZBRC-UHFFFAOYSA-N 0 0 435.889 3.763 50 0 IHAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000812073 555560909 /nfs/dbraw/zinc/56/09/09/555560909.db2.gz BGOXDHIXWYSZLD-UHFFFAOYSA-N 0 0 426.425 3.819 50 0 IHAARN NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2 ZINC000000840960 555568187 /nfs/dbraw/zinc/56/81/87/555568187.db2.gz ZLLMMHHQUGIXSS-UHFFFAOYSA-N 0 0 426.279 3.583 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Br)c1O ZINC000000844385 555568782 /nfs/dbraw/zinc/56/87/82/555568782.db2.gz BAOKMQXGGXJCFB-BONVTDFDSA-N 0 0 441.322 3.769 50 0 IHAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3N2)cc1 ZINC000000866424 555574087 /nfs/dbraw/zinc/57/40/87/555574087.db2.gz MYSSZSBGYFKEBC-ZBFHGGJFSA-N 0 0 426.464 3.741 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000000869423 555575003 /nfs/dbraw/zinc/57/50/03/555575003.db2.gz GTNQEOVQKCCCFT-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)c1C ZINC000009467168 555575761 /nfs/dbraw/zinc/57/57/61/555575761.db2.gz RXMLHBCVNYHSEF-UHFFFAOYSA-N 0 0 426.527 3.799 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1C ZINC000000879170 555576874 /nfs/dbraw/zinc/57/68/74/555576874.db2.gz NDNZALPKRRXWBV-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN COc1cc(OC)cc(C(=O)N(C(=O)c2cc(OC)cc(OC)c2)c2ncccc2C)c1 ZINC000000898038 555580645 /nfs/dbraw/zinc/58/06/45/555580645.db2.gz ZVYIUITXUMHLIO-UHFFFAOYSA-N 0 0 436.464 3.912 50 0 IHAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000000903476 555581666 /nfs/dbraw/zinc/58/16/66/555581666.db2.gz INSULMIWRBVRFG-UHFFFAOYSA-N 0 0 442.541 3.933 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000907921 555581915 /nfs/dbraw/zinc/58/19/15/555581915.db2.gz KDVHQKJVTGIZQS-UHFFFAOYSA-N 0 0 437.492 3.855 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000000912571 555582840 /nfs/dbraw/zinc/58/28/40/555582840.db2.gz RHTCNQNILHIZAJ-UHFFFAOYSA-N 0 0 446.878 3.710 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OC ZINC000000936917 555585943 /nfs/dbraw/zinc/58/59/43/555585943.db2.gz PFAOYNHHIBDXGI-NRFANRHFSA-N 0 0 434.500 3.625 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000000951584 555589374 /nfs/dbraw/zinc/58/93/74/555589374.db2.gz MCGURSLZGWGBEQ-CHWSQXEVSA-N 0 0 440.521 3.673 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000000952733 555589756 /nfs/dbraw/zinc/58/97/56/555589756.db2.gz MDUMERVOPKGGOQ-QGZVFWFLSA-N 0 0 443.550 3.520 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000957966 555590675 /nfs/dbraw/zinc/59/06/75/555590675.db2.gz SFBNFKRRYXPMQF-UHFFFAOYSA-N 0 0 428.444 3.839 50 0 aggregator IHAARN O=C(NCc1ccccc1)c1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000000974322 555592074 /nfs/dbraw/zinc/59/20/74/555592074.db2.gz NZBFYGTXTLNKMW-DEOSSOPVSA-N 0 0 429.501 3.502 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1 ZINC000000990612 555596320 /nfs/dbraw/zinc/59/63/20/555596320.db2.gz KOPHQRCVYUPDKU-UHFFFAOYSA-N 0 0 429.428 3.844 50 0 IHAARN COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1 ZINC000001011467 555602007 /nfs/dbraw/zinc/60/20/07/555602007.db2.gz ORKPWFBDNWEFJZ-ZDLGFXPLSA-N 0 0 446.456 3.527 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)C2CCCCC2)cc1 ZINC000001014921 555602507 /nfs/dbraw/zinc/60/25/07/555602507.db2.gz PGLLCBVGQFFBSW-UHFFFAOYSA-N 0 0 426.582 3.903 50 0 IHAARN CCc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 ZINC000001019478 555603432 /nfs/dbraw/zinc/60/34/32/555603432.db2.gz FORVXNHYHDOKPJ-DEJKCJRPSA-N 0 0 432.557 3.687 50 0 IHAARN CCOC(=O)c1nc(C)sc1-c1ccnn1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000001031508 555606044 /nfs/dbraw/zinc/60/60/44/555606044.db2.gz LRONKEKIVVEMDE-UHFFFAOYSA-N 0 0 445.444 3.748 50 0 IHAARN COc1ccc(-c2nnc(SC[C@@H](O)C(F)(F)F)n2-c2cccc(OC)c2)cc1 ZINC000001034416 555607434 /nfs/dbraw/zinc/60/74/34/555607434.db2.gz OVHKBBSNTVMPNB-MRXNPFEDSA-N 0 0 425.432 3.967 50 0 IHAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1nnnn1-c1ccccc1 ZINC000001035805 555608155 /nfs/dbraw/zinc/60/81/55/555608155.db2.gz NPXJQOCFPUMWLU-UHFFFAOYSA-N 0 0 446.945 3.517 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)c(Cl)cc1Cl ZINC000001037016 555608517 /nfs/dbraw/zinc/60/85/17/555608517.db2.gz HLIJMGAZAPSTLS-UHFFFAOYSA-N 0 0 441.380 3.814 50 0 IHAARN COc1ccc(Br)c(C(=O)c2nnn3c2nc(N)c2c(Cl)cccc23)c1 ZINC000001048828 555612102 /nfs/dbraw/zinc/61/21/02/555612102.db2.gz JFYLJGZFODOXIJ-UHFFFAOYSA-N 0 0 432.665 3.515 50 0 IHAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000001067389 555619098 /nfs/dbraw/zinc/61/90/98/555619098.db2.gz XHHGRHOLSBDVGV-UHFFFAOYSA-N 0 0 433.508 3.876 50 0 IHAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000001069471 555620292 /nfs/dbraw/zinc/62/02/92/555620292.db2.gz ZNFKFIQIBXWFOO-RDTXWAMCSA-N 0 0 445.401 3.597 50 0 IHAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)COc1ccccc1 ZINC000001071168 555621417 /nfs/dbraw/zinc/62/14/17/555621417.db2.gz GCCGOKIDNYVYNF-UHFFFAOYSA-N 0 0 435.484 3.760 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccncc1 ZINC000001075492 555623950 /nfs/dbraw/zinc/62/39/50/555623950.db2.gz HNGGODBZEGPILW-JOCHJYFZSA-N 0 0 437.293 3.852 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000001077961 555625259 /nfs/dbraw/zinc/62/52/59/555625259.db2.gz SZZNUGAYDVJEKU-UHFFFAOYSA-N 0 0 436.839 3.627 50 0 IHAARN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000001088530 555626861 /nfs/dbraw/zinc/62/68/61/555626861.db2.gz BRXQFJVEGMFRHP-UHFFFAOYSA-N 0 0 427.353 3.807 50 0 IHAARN Cc1ccccc1CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001099357 555628498 /nfs/dbraw/zinc/62/84/98/555628498.db2.gz WFJMYFTVSLROJC-UHFFFAOYSA-N 0 0 434.867 3.750 50 0 IHAARN COc1ccccc1N(C[C@@H](O)COc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000001111276 555631710 /nfs/dbraw/zinc/63/17/10/555631710.db2.gz NBEQLLCQSXMZBR-LJQANCHMSA-N 0 0 427.522 3.639 50 0 IHAARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000001120428 555637240 /nfs/dbraw/zinc/63/72/40/555637240.db2.gz VHWYLJKJAFJZGR-UHFFFAOYSA-N 0 0 443.883 3.767 50 0 IHAARN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1F ZINC000001120791 555637612 /nfs/dbraw/zinc/63/76/12/555637612.db2.gz QHLGWYBFXVLUGC-UHFFFAOYSA-N 0 0 447.923 3.751 50 0 IHAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000001124154 555639545 /nfs/dbraw/zinc/63/95/45/555639545.db2.gz IGRWEIVAAAUSQT-UHFFFAOYSA-N 0 0 437.315 3.664 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000001126902 555641609 /nfs/dbraw/zinc/64/16/09/555641609.db2.gz PBDIOUHECIALBJ-IERDGZPVSA-N 0 0 437.496 3.592 50 0 IHAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)COc1cccc(C)c1 ZINC000001130385 555643911 /nfs/dbraw/zinc/64/39/11/555643911.db2.gz RITJUMIPQNBYEV-UHFFFAOYSA-N 0 0 443.503 3.613 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000001137516 555647710 /nfs/dbraw/zinc/64/77/10/555647710.db2.gz QMYGVSXJFOQHEW-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001139613 555649080 /nfs/dbraw/zinc/64/90/80/555649080.db2.gz FKVKJBXVSRZBOX-UHFFFAOYSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000001145138 555652628 /nfs/dbraw/zinc/65/26/28/555652628.db2.gz IMLHYYKBCJYFIC-UHFFFAOYSA-N 0 0 429.369 3.856 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)c1 ZINC000001144767 555652674 /nfs/dbraw/zinc/65/26/74/555652674.db2.gz CCKYUFUTIXZTQB-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN NC(=O)c1c(NC(=O)c2cccc(I)c2)sc2c1CCCC2 ZINC000001156319 555658946 /nfs/dbraw/zinc/65/89/46/555658946.db2.gz MCAYULJSZUKEES-UHFFFAOYSA-N 0 0 426.279 3.583 50 0 IHAARN O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 ZINC000001160666 555661427 /nfs/dbraw/zinc/66/14/27/555661427.db2.gz KDAINSPJFZVACM-UHFFFAOYSA-N 0 0 445.343 3.946 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC ZINC000001163692 555663231 /nfs/dbraw/zinc/66/32/31/555663231.db2.gz QZSYGJHWEFAOJB-UHFFFAOYSA-N 0 0 426.513 3.820 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000001167818 555665046 /nfs/dbraw/zinc/66/50/46/555665046.db2.gz HCIYPMWAPFGUMF-FBHQFGEZSA-N 0 0 444.512 3.545 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001171041 555666443 /nfs/dbraw/zinc/66/64/43/555666443.db2.gz RWVRTWJNSVQERX-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000001171944 555667367 /nfs/dbraw/zinc/66/73/67/555667367.db2.gz MOHSXLAQPBTNPZ-UHFFFAOYSA-N 0 0 427.353 3.807 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001198425 555677673 /nfs/dbraw/zinc/67/76/73/555677673.db2.gz XCUMMKBRJQCJGN-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000001203915 555679675 /nfs/dbraw/zinc/67/96/75/555679675.db2.gz JRWMAHHGQRQNEE-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN CC(=O)Nc1ccccc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000001208037 555681273 /nfs/dbraw/zinc/68/12/73/555681273.db2.gz HUCHVAKJKFTKLS-UHFFFAOYSA-N 0 0 425.400 3.614 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000001212525 555682746 /nfs/dbraw/zinc/68/27/46/555682746.db2.gz MWPALAGUKZXTMS-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN O=C(c1ccccc1O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001215083 555683634 /nfs/dbraw/zinc/68/36/34/555683634.db2.gz ILRNJSYWKDGDIJ-MRXNPFEDSA-N 0 0 429.192 3.656 50 0 IHAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 ZINC000001245678 555687536 /nfs/dbraw/zinc/68/75/36/555687536.db2.gz YZSHPOKLTGHLLO-GOSISDBHSA-N 0 0 431.945 3.695 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000001324200 555689998 /nfs/dbraw/zinc/68/99/98/555689998.db2.gz PSYSHBCEIPQNSJ-UHFFFAOYSA-N 0 0 438.292 3.614 50 0 IHAARN CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001423131 555695636 /nfs/dbraw/zinc/69/56/36/555695636.db2.gz OHNYVWKWUZNOJT-HXUWFJFHSA-N 0 0 426.494 3.520 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000001456051 555699981 /nfs/dbraw/zinc/69/99/81/555699981.db2.gz VNOLSCZTJDGXFT-UHFFFAOYSA-N 0 0 438.911 3.622 50 0 IHAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 ZINC000001460061 555700580 /nfs/dbraw/zinc/70/05/80/555700580.db2.gz BJVJOROJNIGMSE-UHFFFAOYSA-N 0 0 437.492 3.894 50 0 IHAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C(N)=O)CCC4)n1)CCC3 ZINC000001772345 555713723 /nfs/dbraw/zinc/71/37/23/555713723.db2.gz WTGQVSXIOIPRBP-UHFFFAOYSA-N 0 0 444.607 3.868 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889711 555726672 /nfs/dbraw/zinc/72/66/72/555726672.db2.gz TVAGHYGZYDXRSS-LJQANCHMSA-N 0 0 430.574 3.815 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1ccc(C(=O)Nc2ccsc2C(=O)OC)cc1 ZINC000002084956 555739769 /nfs/dbraw/zinc/73/97/69/555739769.db2.gz IQVZAWIJWFMJLT-UHFFFAOYSA-N 0 0 444.490 3.887 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1OC ZINC000002177994 555752821 /nfs/dbraw/zinc/75/28/21/555752821.db2.gz UOMYPGIDWTVVCK-UHFFFAOYSA-N 0 0 448.501 3.678 50 0 IHAARN CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC(C)=C(C(=O)OCC)[C@H](c3ccccc3)N12 ZINC000002181271 555753817 /nfs/dbraw/zinc/75/38/17/555753817.db2.gz CPAJPJGFKGKVHJ-NRFANRHFSA-N 0 0 446.507 3.942 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCCc1ccc(F)cc1 ZINC000002236984 555760836 /nfs/dbraw/zinc/76/08/36/555760836.db2.gz NWAUECZCWOFDSQ-UHFFFAOYSA-N 0 0 433.512 3.919 50 0 IHAARN COc1ccc([C@@H](NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 ZINC000002257649 555763151 /nfs/dbraw/zinc/76/31/51/555763151.db2.gz HLMATIPUXBWIKM-DEOSSOPVSA-N 0 0 428.488 3.977 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 ZINC000002259873 555763525 /nfs/dbraw/zinc/76/35/25/555763525.db2.gz IZYAMHAXMUXQSE-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000002264954 555763713 /nfs/dbraw/zinc/76/37/13/555763713.db2.gz IXPYPUSWCUVHEF-UHFFFAOYSA-N 0 0 425.554 3.862 50 0 IHAARN CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O ZINC000002313041 555767981 /nfs/dbraw/zinc/76/79/81/555767981.db2.gz KFGXENLJWMKWBN-UHFFFAOYSA-N 0 0 440.411 3.889 50 0 IHAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC2OCCO2)CCCC4)cc1 ZINC000002359342 555772108 /nfs/dbraw/zinc/77/21/08/555772108.db2.gz BXDUDMMXXQVPPH-UHFFFAOYSA-N 0 0 430.551 3.800 50 0 IHAARN COc1ccccc1CN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002403999 555776227 /nfs/dbraw/zinc/77/62/27/555776227.db2.gz UGZNNDSFLBVBGY-UHFFFAOYSA-N 0 0 438.534 3.873 50 0 IHAARN COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1 ZINC000002431695 555778189 /nfs/dbraw/zinc/77/81/89/555778189.db2.gz YBOAGRRSZVZAJW-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O ZINC000002440951 555779455 /nfs/dbraw/zinc/77/94/55/555779455.db2.gz BNYCRLWHCMXQEU-OAHLLOKOSA-N 0 0 428.583 3.688 50 0 IHAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002443897 555780069 /nfs/dbraw/zinc/78/00/69/555780069.db2.gz XMAXUIOCCGSMND-UHFFFAOYSA-N 0 0 431.477 3.789 50 0 IHAARN Cc1ccc(C(=O)N2CCO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000034667040 555791410 /nfs/dbraw/zinc/79/14/10/555791410.db2.gz XNXGGIOPGKLXHF-QFIPXVFZSA-N 0 0 447.501 3.677 50 0 IHAARN COc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(C)c(F)c4)co3)CC2)cc1 ZINC000034678267 555796796 /nfs/dbraw/zinc/79/67/96/555796796.db2.gz UHDIXIZTOSEZKW-UHFFFAOYSA-N 0 0 438.503 3.701 50 0 IHAARN CN(C)c1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034678680 555797833 /nfs/dbraw/zinc/79/78/33/555797833.db2.gz NXWYAECIAKGSSK-UHFFFAOYSA-N 0 0 433.478 3.750 50 0 IHAARN COc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3)CC(=O)N2)cc1Br ZINC000002746289 555808893 /nfs/dbraw/zinc/80/88/93/555808893.db2.gz GJPPHSQMFGQIII-OAHLLOKOSA-N 0 0 448.342 3.747 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1nn(C)cc1Cl)C[C@H](C)CC2 ZINC000002779333 555818812 /nfs/dbraw/zinc/81/88/12/555818812.db2.gz WMMNTQZWOBSPNN-SECBINFHSA-N 0 0 440.978 3.563 50 0 IHAARN CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc1 ZINC000002796639 555822380 /nfs/dbraw/zinc/82/23/80/555822380.db2.gz JPEBMEJFDNNCNJ-UHFFFAOYSA-N 0 0 425.456 3.938 50 0 IHAARN COc1ccccc1-c1nnc2c3cc(C)ccc3nc(N3CCC4(CC3)OCCO4)n12 ZINC000034699722 555833518 /nfs/dbraw/zinc/83/35/18/555833518.db2.gz BJXHFRYOLYMFNL-UHFFFAOYSA-N 0 0 431.496 3.605 50 0 IHAARN CN(C)S(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3ccccc23)c(Cl)cc1Cl ZINC000002836909 555833542 /nfs/dbraw/zinc/83/35/42/555833542.db2.gz WTKYZMIYAZEVSV-UHFFFAOYSA-N 0 0 440.352 3.698 50 0 IHAARN CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002837080 555833750 /nfs/dbraw/zinc/83/37/50/555833750.db2.gz MPMXYABPTYDVJQ-UHFFFAOYSA-N 0 0 426.513 3.675 50 0 IHAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002838270 555834088 /nfs/dbraw/zinc/83/40/88/555834088.db2.gz IHEVJXJYANAFOP-DLBZAZTESA-N 0 0 437.569 3.759 50 0 IHAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000002840584 555835015 /nfs/dbraw/zinc/83/50/15/555835015.db2.gz LECXTQBQPAOSHR-UHFFFAOYSA-N 0 0 445.548 3.938 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000002840819 555835266 /nfs/dbraw/zinc/83/52/66/555835266.db2.gz VAFXIKOHUFCITO-LBPRGKRZSA-N 0 0 447.923 3.829 50 0 IHAARN COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002853942 555840786 /nfs/dbraw/zinc/84/07/86/555840786.db2.gz URDDHBKHPCJGME-OAQYLSRUSA-N 0 0 435.476 3.778 50 0 IHAARN CCCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002856892 555842065 /nfs/dbraw/zinc/84/20/65/555842065.db2.gz XXZAIZBCLKNFGH-UHFFFAOYSA-N 0 0 434.558 3.514 50 0 IHAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1 ZINC000002864879 555846691 /nfs/dbraw/zinc/84/66/91/555846691.db2.gz BUVHGXGDPKSYNX-UHFFFAOYSA-N 0 0 426.469 3.887 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000002868489 555848465 /nfs/dbraw/zinc/84/84/65/555848465.db2.gz YAQDLASZTQFSSP-UHFFFAOYSA-N 0 0 449.846 3.899 50 0 IHAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000002878071 555853250 /nfs/dbraw/zinc/85/32/50/555853250.db2.gz NBHLLHVNIRZATB-UHFFFAOYSA-N 0 0 435.958 3.726 50 0 IHAARN CCN(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002884651 555857224 /nfs/dbraw/zinc/85/72/24/555857224.db2.gz COTFVCRQLYMATE-UHFFFAOYSA-N 0 0 428.510 3.506 50 0 IHAARN CC(=O)Nc1cccc(NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c1 ZINC000002905327 555861312 /nfs/dbraw/zinc/86/13/12/555861312.db2.gz COFYMRJKILXNKU-GFCCVEGCSA-N 0 0 439.796 3.790 50 0 IHAARN CCN(CC)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000002959966 555867656 /nfs/dbraw/zinc/86/76/56/555867656.db2.gz VCMASQSBJNXFNV-UHFFFAOYSA-N 0 0 425.348 3.513 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000002987017 555874375 /nfs/dbraw/zinc/87/43/75/555874375.db2.gz OGNCDJHMJADSJR-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN CC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002988983 555874545 /nfs/dbraw/zinc/87/45/45/555874545.db2.gz SZEZLADSRHFGLU-UHFFFAOYSA-N 0 0 429.369 3.957 50 0 IHAARN CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(=O)(=O)c1ccccc1 ZINC000002988429 555874572 /nfs/dbraw/zinc/87/45/72/555874572.db2.gz FQNWZLQLDAIWBK-UHFFFAOYSA-N 0 0 430.551 3.768 50 0 IHAARN CC(C)C(NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)C(C)C ZINC000002994722 555875713 /nfs/dbraw/zinc/87/57/13/555875713.db2.gz LXROLWSDFSXWFJ-UHFFFAOYSA-N 0 0 428.904 3.922 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000002994761 555875978 /nfs/dbraw/zinc/87/59/78/555875978.db2.gz LFGYEIALOIATKF-UHFFFAOYSA-N 0 0 433.382 3.668 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000003072842 555884436 /nfs/dbraw/zinc/88/44/36/555884436.db2.gz HCHSUFZHGMFPEP-NSHDSACASA-N 0 0 440.668 3.936 50 0 IHAARN COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2cccs2)CC3)c1 ZINC000034755560 555900425 /nfs/dbraw/zinc/90/04/25/555900425.db2.gz GTNGEVFZPVTSIP-UHFFFAOYSA-N 0 0 438.553 3.734 50 0 IHAARN COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccc(C)cc2)CC3)c1 ZINC000034755551 555900472 /nfs/dbraw/zinc/90/04/72/555900472.db2.gz OYUOSIKDKFNYMG-UHFFFAOYSA-N 0 0 446.551 3.981 50 0 IHAARN COCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC000034846747 555915396 /nfs/dbraw/zinc/91/53/96/555915396.db2.gz KPHKWYLKSZHQIQ-UHFFFAOYSA-N 0 0 432.561 4.000 50 0 IHAARN CC(=O)c1ccc(NC(=S)NC[C@@H](C)NC(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003305408 555917408 /nfs/dbraw/zinc/91/74/08/555917408.db2.gz PNVDEOGVBCRFHS-CYBMUJFWSA-N 0 0 428.583 3.753 50 0 IHAARN CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000034896296 555927865 /nfs/dbraw/zinc/92/78/65/555927865.db2.gz SKIVBWAMWXPMFM-XMHGGMMESA-N 0 0 441.578 3.941 50 0 IHAARN CN(C)C(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000034921669 555932096 /nfs/dbraw/zinc/93/20/96/555932096.db2.gz QAYHKAVCDAVBRN-SFHVURJKSA-N 0 0 430.574 3.729 50 0 IHAARN CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630545 555941412 /nfs/dbraw/zinc/94/14/12/555941412.db2.gz AKUVVNKLSNUFNJ-YADHBBJMSA-N 0 0 426.513 3.539 50 0 IHAARN COc1ccc(O[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003653554 555944243 /nfs/dbraw/zinc/94/42/43/555944243.db2.gz KZJKNUIKFKVUTB-BJKOFHAPSA-N 0 0 447.443 3.684 50 0 IHAARN CCOCCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670202 555945724 /nfs/dbraw/zinc/94/57/24/555945724.db2.gz RNKZZRWHGXMGRD-HXUWFJFHSA-N 0 0 438.311 3.733 50 0 IHAARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000004066277 555957801 /nfs/dbraw/zinc/95/78/01/555957801.db2.gz BCMOSAMLFLEOEP-GOSISDBHSA-N 0 0 431.286 3.699 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000004178418 555974292 /nfs/dbraw/zinc/97/42/92/555974292.db2.gz GAEPJJNTDQBPND-XFDIAKHOSA-N 0 0 429.472 3.655 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004199663 555975634 /nfs/dbraw/zinc/97/56/34/555975634.db2.gz XBHJAHLNBMXZEM-DEOSSOPVSA-N 0 0 440.609 3.710 50 0 IHAARN CCNc1nc2nc(SCC(=O)c3ccc(Cl)cc3Cl)nn2c(NCC)n1 ZINC000004528835 555999571 /nfs/dbraw/zinc/99/95/71/555999571.db2.gz HDYSHTZMSGUEQK-UHFFFAOYSA-N 0 0 426.333 3.665 50 0 IHAARN O=C(COC(=O)c1ccc(COc2ccccc2)o1)NC(=O)NCCC1=CCCCC1 ZINC000010561583 556068788 /nfs/dbraw/zinc/06/87/88/556068788.db2.gz ZRRIGPQHXXJAIF-UHFFFAOYSA-N 0 0 426.469 3.732 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)c(C)c1 ZINC000006244524 556082190 /nfs/dbraw/zinc/08/21/90/556082190.db2.gz KALZOWKARVAOGF-UHFFFAOYSA-N 0 0 437.565 3.514 50 0 IHAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000010571969 556089963 /nfs/dbraw/zinc/08/99/63/556089963.db2.gz YJOSXSZYQJKVIW-CQSZACIVSA-N 0 0 427.478 3.611 50 0 IHAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000006878364 556107918 /nfs/dbraw/zinc/10/79/18/556107918.db2.gz VQULTCQXFXUXCS-UHFFFAOYSA-N 0 0 428.514 3.625 50 0 IHAARN COCCCNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000006904473 556109250 /nfs/dbraw/zinc/10/92/50/556109250.db2.gz CFRRNLHPROPRPM-UHFFFAOYSA-N 0 0 432.542 3.663 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)cc1C ZINC000002693367 556120891 /nfs/dbraw/zinc/12/08/91/556120891.db2.gz BMKJQLSNCVIYKE-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN Cc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21 ZINC000002691032 556121708 /nfs/dbraw/zinc/12/17/08/556121708.db2.gz HNVARMZAJPNWQZ-UHFFFAOYSA-N 0 0 432.501 3.781 50 0 IHAARN COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(OC)cc2)SCC3)o1 ZINC000002719876 556126195 /nfs/dbraw/zinc/12/61/95/556126195.db2.gz VESNIXGCVALZSB-UHFFFAOYSA-N 0 0 430.507 3.561 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002723557 556128779 /nfs/dbraw/zinc/12/87/79/556128779.db2.gz IGKRYEKYEGFAPS-UHFFFAOYSA-N 0 0 440.506 3.876 50 0 IHAARN COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)c1OC ZINC000002725071 556133628 /nfs/dbraw/zinc/13/36/28/556133628.db2.gz XUOYDNCHZBPNIY-PMERELPUSA-N 0 0 425.510 3.521 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 ZINC000003008439 556154571 /nfs/dbraw/zinc/15/45/71/556154571.db2.gz WBWPUFQKRXJYSB-UHFFFAOYSA-N 0 0 448.932 3.936 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)cc1)CS(=O)(=O)C2 ZINC000003008460 556155051 /nfs/dbraw/zinc/15/50/51/556155051.db2.gz KVAVZPYEDAOVLU-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)c4ccccc4[C@@H]23)cc1 ZINC000071922029 556157946 /nfs/dbraw/zinc/15/79/46/556157946.db2.gz HQMZZAXJTDHRIQ-QHCPKHFHSA-N 0 0 426.407 3.641 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015381 556158236 /nfs/dbraw/zinc/15/82/36/556158236.db2.gz LBJAHKRCDCFHAB-HXUWFJFHSA-N 0 0 445.563 3.974 50 0 IHAARN CNC(=S)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc21 ZINC000008382913 556158518 /nfs/dbraw/zinc/15/85/18/556158518.db2.gz UTFCTLVGLGNVJS-UHFFFAOYSA-N 0 0 427.526 3.776 50 0 biogenic IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000008383836 556159682 /nfs/dbraw/zinc/15/96/82/556159682.db2.gz HKFWLTJYYSMFPT-YLJYHZDGSA-N 0 0 437.492 3.729 50 0 IHAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008384379 556160323 /nfs/dbraw/zinc/16/03/23/556160323.db2.gz RQNWBBVJIGXWBB-KRWDZBQOSA-N 0 0 442.762 3.932 50 0 IHAARN COc1cc(I)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1OC ZINC000008396150 556163255 /nfs/dbraw/zinc/16/32/55/556163255.db2.gz OIDLBVRDGOYYJX-WUXMJOGZSA-N 0 0 433.267 3.753 50 0 IHAARN Cc1c(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000008400035 556165612 /nfs/dbraw/zinc/16/56/12/556165612.db2.gz OBKWVPOQESXRFU-UHFFFAOYSA-N 0 0 435.509 3.574 50 0 IHAARN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 ZINC000008442046 556177119 /nfs/dbraw/zinc/17/71/19/556177119.db2.gz KXLARRDIWCMXMU-UHFFFAOYSA-N 0 0 441.509 3.967 50 0 IHAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000008618198 556193362 /nfs/dbraw/zinc/19/33/62/556193362.db2.gz SZEHGZPRNOLERY-UHFFFAOYSA-N 0 0 435.926 3.687 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)OCc2ccccc2)CC1 ZINC000008636559 556194370 /nfs/dbraw/zinc/19/43/70/556194370.db2.gz SPVOLDHMHVNGRC-QFIPXVFZSA-N 0 0 436.508 3.556 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1ccc(C(C)=O)cc1)C(F)(F)F ZINC000008637085 556195049 /nfs/dbraw/zinc/19/50/49/556195049.db2.gz RDYYJFZMZMZLSY-HXUWFJFHSA-N 0 0 438.402 3.561 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC ZINC000008694335 556200792 /nfs/dbraw/zinc/20/07/92/556200792.db2.gz VDLYJQCMLYRAIR-HTAPYJJXSA-N 0 0 439.556 3.960 50 0 IHAARN O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008741778 556206990 /nfs/dbraw/zinc/20/69/90/556206990.db2.gz OIZHACYCJSJBLX-CKEIUWERSA-N 0 0 432.320 3.809 50 0 IHAARN COc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000008767010 556212584 /nfs/dbraw/zinc/21/25/84/556212584.db2.gz UPTKTRUCQNJEQM-SJORKVTESA-N 0 0 427.309 3.614 50 0 IHAARN CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000008845378 556226819 /nfs/dbraw/zinc/22/68/19/556226819.db2.gz PFLGFDUXKAYOSF-OAQYLSRUSA-N 0 0 427.888 3.680 50 0 IHAARN O=C(C[C@@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000008922763 556233724 /nfs/dbraw/zinc/23/37/24/556233724.db2.gz YUKPYYKCNPCMLI-HHHXNRCGSA-N 0 0 443.499 3.898 50 0 IHAARN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009046505 556243085 /nfs/dbraw/zinc/24/30/85/556243085.db2.gz VDDUFRNIDQFYHK-UHFFFAOYSA-N 0 0 440.546 3.598 50 0 IHAARN Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2Cl)c1 ZINC000009059132 556243552 /nfs/dbraw/zinc/24/35/52/556243552.db2.gz ADMBSTHGQDPLIL-QHAWAJNXSA-N 0 0 439.943 3.929 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000009067992 556244919 /nfs/dbraw/zinc/24/49/19/556244919.db2.gz WJMUDBKUXRUHOW-LJQANCHMSA-N 0 0 429.517 3.571 50 0 IHAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c1 ZINC000097568057 556248449 /nfs/dbraw/zinc/24/84/49/556248449.db2.gz TUECLPSDDRFPEM-KEEQEYLASA-N 0 0 441.535 3.706 50 0 IHAARN Cc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568704 556248540 /nfs/dbraw/zinc/24/85/40/556248540.db2.gz BCMPVTURKUKWSG-YVJSUPCUSA-N 0 0 441.535 3.706 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000009191563 556253823 /nfs/dbraw/zinc/25/38/23/556253823.db2.gz UJQMKARCEIESJG-LJQANCHMSA-N 0 0 438.534 3.682 50 0 IHAARN CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009197701 556255868 /nfs/dbraw/zinc/25/58/68/556255868.db2.gz WYMFHUAREPBESY-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(NC(C)=O)cc4)s3)CC2=O)cc1 ZINC000009198104 556256224 /nfs/dbraw/zinc/25/62/24/556256224.db2.gz IGZAJONCHJEZOL-KRWDZBQOSA-N 0 0 449.536 3.832 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1 ZINC000009198077 556256251 /nfs/dbraw/zinc/25/62/51/556256251.db2.gz FGVBBZBFKVAMLJ-QGZVFWFLSA-N 0 0 449.536 3.886 50 0 IHAARN O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1)C(F)(F)F ZINC000009225149 556259226 /nfs/dbraw/zinc/25/92/26/556259226.db2.gz AXEBAKNZHDNRKQ-OAHLLOKOSA-N 0 0 434.370 3.755 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 ZINC000009233557 556262462 /nfs/dbraw/zinc/26/24/62/556262462.db2.gz PKQQAODCVDAOEV-OAHLLOKOSA-N 0 0 430.888 3.582 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237930 556264641 /nfs/dbraw/zinc/26/46/41/556264641.db2.gz WLHYYHLVAWEZPE-JKSUJKDBSA-N 0 0 430.331 3.747 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C ZINC000009263405 556270152 /nfs/dbraw/zinc/27/01/52/556270152.db2.gz WRWQGBBCSAAFRN-NRFANRHFSA-N 0 0 449.580 3.624 50 0 IHAARN Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)c1 ZINC000009289184 556273380 /nfs/dbraw/zinc/27/33/80/556273380.db2.gz QZLXRCAEZGELPM-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 IHAARN COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)c2=O)cc1 ZINC000013687765 556277438 /nfs/dbraw/zinc/27/74/38/556277438.db2.gz KQZYJTUQDXFFLT-QGZVFWFLSA-N 0 0 437.448 3.703 50 0 IHAARN COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009341355 556283376 /nfs/dbraw/zinc/28/33/76/556283376.db2.gz VOROGHWVVWMFEX-ZWKOTPCHSA-N 0 0 440.949 3.763 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000009435629 556291537 /nfs/dbraw/zinc/29/15/37/556291537.db2.gz QEUXTBPRMWXTLL-GUYCJALGSA-N 0 0 434.374 3.795 50 0 IHAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000009434147 556291560 /nfs/dbraw/zinc/29/15/60/556291560.db2.gz OKJDRKGINMJLQZ-UHFFFAOYSA-N 0 0 437.517 3.667 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2Cc2ccco2)c1 ZINC000009497333 556295056 /nfs/dbraw/zinc/29/50/56/556295056.db2.gz ONOHNJMBAPTREC-UHFFFAOYSA-N 0 0 447.520 3.725 50 0 IHAARN CNC(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4Cl)CC3)CCC2)cc1 ZINC000065029631 556297698 /nfs/dbraw/zinc/29/76/98/556297698.db2.gz SGVXUUAAAMITMD-UHFFFAOYSA-N 0 0 426.948 3.862 50 0 IHAARN CCOc1ccc(C2=Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)SC2)cc1 ZINC000013752216 556299756 /nfs/dbraw/zinc/29/97/56/556299756.db2.gz ORBDDVXDKLEZJN-UHFFFAOYSA-N 0 0 426.498 3.728 50 0 IHAARN O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000032741613 556303138 /nfs/dbraw/zinc/30/31/38/556303138.db2.gz FBMSWJABRDYFAM-OAQYLSRUSA-N 0 0 434.565 3.896 50 0 IHAARN Cc1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009663473 556304604 /nfs/dbraw/zinc/30/46/04/556304604.db2.gz DXPYNARKIGYDLD-FQEVSTJZSA-N 0 0 428.492 3.879 50 0 IHAARN CCOCCCNc1nc2c(S(=O)(=O)c3ccc(CC)cc3)nnn2c2ccccc21 ZINC000009829964 556309983 /nfs/dbraw/zinc/30/99/83/556309983.db2.gz CMSBLRDYKHGWKN-UHFFFAOYSA-N 0 0 439.541 3.511 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3ncccc3c2=O)c1 ZINC000009830396 556311057 /nfs/dbraw/zinc/31/10/57/556311057.db2.gz MMDSXWULCGECIV-UHFFFAOYSA-N 0 0 432.505 3.829 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c(C)c1 ZINC000009830944 556312012 /nfs/dbraw/zinc/31/20/12/556312012.db2.gz JLKGKTZRDYRFGD-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN COc1cccc(CNc2nc3ccccc3c3nc(CCn4nc(C)cc4C)nn32)c1 ZINC000009831100 556312716 /nfs/dbraw/zinc/31/27/16/556312716.db2.gz ULYROLBYXDQRHI-UHFFFAOYSA-N 0 0 427.512 3.954 50 0 IHAARN O=C(Cn1c(CN2CCCCC2)nc2sc3c(c2c1=O)CCC3)Nc1ccccc1F ZINC000032747299 556315591 /nfs/dbraw/zinc/31/55/91/556315591.db2.gz KAYKPSUYQSIHMW-UHFFFAOYSA-N 0 0 440.544 3.710 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)nc2O)cc1 ZINC000009908979 556316308 /nfs/dbraw/zinc/31/63/08/556316308.db2.gz FNDXUSNZMGSRJL-UHFFFAOYSA-N 0 0 443.550 3.671 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)cc1 ZINC000009934036 556317455 /nfs/dbraw/zinc/31/74/55/556317455.db2.gz QMDLAPPIIVKUEM-IBGZPJMESA-N 0 0 441.459 3.577 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)cc2)c(OC)cc1Cl ZINC000013839348 556317465 /nfs/dbraw/zinc/31/74/65/556317465.db2.gz WOGDAYBNLAGOSA-LJQANCHMSA-N 0 0 441.875 3.582 50 0 IHAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)cc2)c(OC)cc1Cl ZINC000013839351 556317624 /nfs/dbraw/zinc/31/76/24/556317624.db2.gz WOGDAYBNLAGOSA-IBGZPJMESA-N 0 0 441.875 3.582 50 0 IHAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 ZINC000009934163 556317911 /nfs/dbraw/zinc/31/79/11/556317911.db2.gz NXMDWXZNNYFEBP-FQEVSTJZSA-N 0 0 437.427 3.794 50 0 IHAARN COc1ccccc1CN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1cccs1 ZINC000032759247 556319194 /nfs/dbraw/zinc/31/91/94/556319194.db2.gz XDPFWEXAYNBQCE-UHFFFAOYSA-N 0 0 436.581 3.503 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000032759405 556319436 /nfs/dbraw/zinc/31/94/36/556319436.db2.gz GYDROZXPEDRGPF-INIZCTEOSA-N 0 0 444.557 3.627 50 0 IHAARN COc1ccc(C2(C(=O)NC[C@@]3(c4ccccc4)CCCOC3)CCOCC2)cc1OC ZINC000010013813 556322649 /nfs/dbraw/zinc/32/26/49/556322649.db2.gz FMPCWLSMTYNJNE-VWLOTQADSA-N 0 0 439.552 3.617 50 0 IHAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000010078996 556325231 /nfs/dbraw/zinc/32/52/31/556325231.db2.gz YJGXTQILADQMGV-JOCHJYFZSA-N 0 0 438.499 3.589 50 0 IHAARN CCOC(=O)c1ccc(NC(=S)N2CCC(c3nc(-c4ccccn4)n[nH]3)CC2)cc1 ZINC000010078930 556325316 /nfs/dbraw/zinc/32/53/16/556325316.db2.gz ZOIAIPBPNUEHNZ-UHFFFAOYSA-N 0 0 436.541 3.620 50 0 IHAARN Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000010119473 556326529 /nfs/dbraw/zinc/32/65/29/556326529.db2.gz BLUPUIJSADDFRY-UHFFFAOYSA-N 0 0 444.314 3.941 50 0 IHAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)c1 ZINC000010296917 556329764 /nfs/dbraw/zinc/32/97/64/556329764.db2.gz DSNZGSMRXWRDJJ-HXUWFJFHSA-N 0 0 429.484 3.837 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cc(Cl)c(Cl)cc1Cl ZINC000013896742 556329809 /nfs/dbraw/zinc/32/98/09/556329809.db2.gz TZEFDSRNSNALAJ-UHFFFAOYSA-N 0 0 447.771 3.998 50 0 IHAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 ZINC000010297002 556330114 /nfs/dbraw/zinc/33/01/14/556330114.db2.gz JLAUMEMESRFMIR-KRWDZBQOSA-N 0 0 442.266 3.846 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c(Br)c1 ZINC000032770649 556334763 /nfs/dbraw/zinc/33/47/63/556334763.db2.gz QIMYPTZYPJCTRU-ZDUSSCGKSA-N 0 0 426.332 3.974 50 0 IHAARN CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@](C)(CC)C(=O)Nc1c(C)cccc1C ZINC000013940795 556338271 /nfs/dbraw/zinc/33/82/71/556338271.db2.gz IOEMEGNQJPIYGO-RUZDIDTESA-N 0 0 435.524 3.555 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000013944057 556341085 /nfs/dbraw/zinc/34/10/85/556341085.db2.gz KKKVTLKSGWLFCA-UHFFFAOYSA-N 0 0 429.476 3.630 50 0 IHAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 ZINC000013944253 556341268 /nfs/dbraw/zinc/34/12/68/556341268.db2.gz SWICCIIEHPSMDC-GFCCVEGCSA-N 0 0 428.901 3.973 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 ZINC000013944245 556341421 /nfs/dbraw/zinc/34/14/21/556341421.db2.gz FIDUFXDWFRWTRE-CYBMUJFWSA-N 0 0 428.901 3.973 50 0 IHAARN CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944950 556342379 /nfs/dbraw/zinc/34/23/79/556342379.db2.gz VHRFQQFZRLWVAY-AWEZNQCLSA-N 0 0 429.521 3.531 50 0 IHAARN CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000013949187 556344262 /nfs/dbraw/zinc/34/42/62/556344262.db2.gz RUWBFJZXXNFKJE-IRXDYDNUSA-N 0 0 436.599 3.716 50 0 IHAARN COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000032781097 556346757 /nfs/dbraw/zinc/34/67/57/556346757.db2.gz GCJGLVNPKOEEAN-UHFFFAOYSA-N 0 0 425.273 3.694 50 0 IHAARN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000011713642 556348070 /nfs/dbraw/zinc/34/80/70/556348070.db2.gz KDKDVZHOLJLJAO-UHFFFAOYSA-N 0 0 438.450 3.797 50 0 IHAARN CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000032788243 556350274 /nfs/dbraw/zinc/35/02/74/556350274.db2.gz CWKOMXZKZDDOSC-UHFFFAOYSA-N 0 0 438.867 3.880 50 0 IHAARN COc1cc(C[C@]2(CCC(=O)NCCc3cccc(Cl)c3)CCC(=O)N2)ccc1F ZINC000011782617 556350948 /nfs/dbraw/zinc/35/09/48/556350948.db2.gz IMQPVOWDLUEUJT-QHCPKHFHSA-N 0 0 432.923 3.818 50 0 IHAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1 ZINC000014017650 556356005 /nfs/dbraw/zinc/35/60/05/556356005.db2.gz YZLUOYKYWWSQJO-UHFFFAOYSA-N 0 0 434.442 3.924 50 0 IHAARN CCCN(C[C@H]1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000011813683 556357262 /nfs/dbraw/zinc/35/72/62/556357262.db2.gz BORNGBSBZXFFLT-OAQYLSRUSA-N 0 0 444.572 3.506 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000014068776 556360367 /nfs/dbraw/zinc/36/03/67/556360367.db2.gz APBRYQNAYRRBLH-IBGZPJMESA-N 0 0 425.504 3.799 50 0 IHAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032796560 556361835 /nfs/dbraw/zinc/36/18/35/556361835.db2.gz SECMRKNJFGHZHU-UHFFFAOYSA-N 0 0 434.536 3.691 50 0 IHAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000014077363 556362358 /nfs/dbraw/zinc/36/23/58/556362358.db2.gz PUGLGIQIDCTLQL-QGZVFWFLSA-N 0 0 426.567 3.750 50 0 IHAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CCS[C@@H]1c1ccccc1F ZINC000014077872 556362470 /nfs/dbraw/zinc/36/24/70/556362470.db2.gz GUNTWNKDSAJUTO-QGZVFWFLSA-N 0 0 435.937 3.821 50 0 IHAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccccc1N1CCCC1 ZINC000032797275 556363615 /nfs/dbraw/zinc/36/36/15/556363615.db2.gz ISPGSYJUUNUZSH-UHFFFAOYSA-N 0 0 435.597 3.653 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000014092691 556365679 /nfs/dbraw/zinc/36/56/79/556365679.db2.gz GIXRNQKGEBKEJA-UHFFFAOYSA-N 0 0 433.327 3.914 50 0 IHAARN Nc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)s1 ZINC000011843167 556366287 /nfs/dbraw/zinc/36/62/87/556366287.db2.gz WBNQXNBVQIPQJE-OAHLLOKOSA-N 0 0 438.578 3.586 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000011851521 556367512 /nfs/dbraw/zinc/36/75/12/556367512.db2.gz UITDEGKNHFENLB-DNVJHFABSA-N 0 0 442.471 3.833 50 0 IHAARN COc1cc2nc(CSc3nnc(NC4CCCCC4)s3)[nH]c(=O)c2cc1OC ZINC000014109664 556369139 /nfs/dbraw/zinc/36/91/39/556369139.db2.gz VPIQOSNMFPJIPA-UHFFFAOYSA-N 0 0 433.559 3.829 50 0 IHAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000014115381 556370596 /nfs/dbraw/zinc/37/05/96/556370596.db2.gz XBIHBEPWSKNFIK-DEOSSOPVSA-N 0 0 430.552 3.861 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000011879243 556371738 /nfs/dbraw/zinc/37/17/38/556371738.db2.gz JVDDIZLDKKXSGF-DEOSSOPVSA-N 0 0 439.462 3.936 50 0 IHAARN CCOc1cc(C(=O)N2CCN(Cc3cccs3)CC2)cc(Br)c1OC ZINC000014119390 556371933 /nfs/dbraw/zinc/37/19/33/556371933.db2.gz DDADGZVCTMNFTL-UHFFFAOYSA-N 0 0 439.375 3.876 50 0 IHAARN O=C(OCc1nc2ccccc2n1C(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014121335 556372219 /nfs/dbraw/zinc/37/22/19/556372219.db2.gz XVSUWPKVCUZNKR-UHFFFAOYSA-N 0 0 449.479 3.576 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014128726 556373844 /nfs/dbraw/zinc/37/38/44/556373844.db2.gz JVUQESJIOGEZJI-UHFFFAOYSA-N 0 0 437.503 3.991 50 0 IHAARN CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032573782 556373963 /nfs/dbraw/zinc/37/39/63/556373963.db2.gz CCRXNWHXPQYDDA-NRFANRHFSA-N 0 0 447.539 3.989 50 0 IHAARN COc1ccc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F ZINC000014129524 556374567 /nfs/dbraw/zinc/37/45/67/556374567.db2.gz YRQRBVWHRZONKN-VWLOTQADSA-N 0 0 432.451 3.707 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 ZINC000014167607 556380147 /nfs/dbraw/zinc/38/01/47/556380147.db2.gz GCLPNRDTBZFOAQ-UHFFFAOYSA-N 0 0 436.541 3.976 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000014182930 556383155 /nfs/dbraw/zinc/38/31/55/556383155.db2.gz RSVRYJMZWZZAAT-MRXNPFEDSA-N 0 0 447.948 3.516 50 0 IHAARN Cn1nc(COCc2ccc(F)cc2Cl)c2c1CCN(C(=O)NCc1ccco1)C2 ZINC000064565844 556383498 /nfs/dbraw/zinc/38/34/98/556383498.db2.gz CSVMQEOUJXALGT-UHFFFAOYSA-N 0 0 432.883 3.790 50 0 IHAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000014184800 556384732 /nfs/dbraw/zinc/38/47/32/556384732.db2.gz MZVYQZTWOQHLHS-UHFFFAOYSA-N 0 0 440.546 3.519 50 0 IHAARN C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 ZINC000014184933 556385125 /nfs/dbraw/zinc/38/51/25/556385125.db2.gz DUQBIAXHKUPLLR-RCDICMHDSA-N 0 0 427.501 3.510 50 0 IHAARN Cc1cc(Cl)ccc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000014185992 556385666 /nfs/dbraw/zinc/38/56/66/556385666.db2.gz HGBFFHOLSJMPJX-UHFFFAOYSA-N 0 0 447.409 3.976 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c(C)c32)c1 ZINC000012026733 556387669 /nfs/dbraw/zinc/38/76/69/556387669.db2.gz PFLFMQDTJLHBIL-GASCZTMLSA-N 0 0 440.569 3.912 50 0 IHAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000012035594 556389858 /nfs/dbraw/zinc/38/98/58/556389858.db2.gz YMKDNKVQHUCYQQ-XMMPIXPASA-N 0 0 443.588 3.593 50 0 IHAARN CC[C@H](Nc1ncnc2sc(C(=O)N3CCN(C=O)CC3)c(C)c21)c1cccs1 ZINC000012038437 556390545 /nfs/dbraw/zinc/39/05/45/556390545.db2.gz RJNXRGHRHIHRBU-AWEZNQCLSA-N 0 0 429.571 3.539 50 0 IHAARN O=C(COc1cccc2ccccc21)NCCNC(=O)COc1cccc2ccccc21 ZINC000012040248 556390806 /nfs/dbraw/zinc/39/08/06/556390806.db2.gz YKBLMIXVUJUMCM-UHFFFAOYSA-N 0 0 428.488 3.683 50 0 IHAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(=O)NC(C)C)CC1=O ZINC000012062067 556395190 /nfs/dbraw/zinc/39/51/90/556395190.db2.gz FZZACNYMYZIESC-HNNXBMFYSA-N 0 0 440.931 3.743 50 0 IHAARN CSCC[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O ZINC000014226978 556395200 /nfs/dbraw/zinc/39/52/00/556395200.db2.gz UIZTUEKYJJUPJD-MSOLQXFVSA-N 0 0 444.553 3.897 50 0 IHAARN Cc1noc(C)c1CCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000012073558 556396501 /nfs/dbraw/zinc/39/65/01/556396501.db2.gz XLHRUBJMFQHTOX-UHFFFAOYSA-N 0 0 435.528 3.845 50 0 IHAARN CCCNc1nc(-c2cc(C)n(NC(=O)c3nn(C)c(=O)c4ccccc43)c2C)cs1 ZINC000014229619 556396709 /nfs/dbraw/zinc/39/67/09/556396709.db2.gz NSDJXVYQCUPETO-UHFFFAOYSA-N 0 0 436.541 3.681 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O ZINC000014241497 556401812 /nfs/dbraw/zinc/40/18/12/556401812.db2.gz FRJNWEOTHRYULY-HIFRSBDPSA-N 0 0 427.888 3.550 50 0 IHAARN CC(C)CS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccccn2)n1Cc1ccccc1 ZINC000012302497 556403375 /nfs/dbraw/zinc/40/33/75/556403375.db2.gz YSTOQIRSMGKYRO-IBGZPJMESA-N 0 0 426.586 3.949 50 0 IHAARN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014244183 556403841 /nfs/dbraw/zinc/40/38/41/556403841.db2.gz XPILQLQIKVMJNU-HXUWFJFHSA-N 0 0 449.454 3.967 50 0 IHAARN COC(=O)C1=C(C)N(C(C)C)C(=O)[C@]1(NC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000012402648 556404249 /nfs/dbraw/zinc/40/42/49/556404249.db2.gz RITDZVFZQNSMOL-NRFANRHFSA-N 0 0 440.462 3.713 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(C)c1 ZINC000014246262 556406033 /nfs/dbraw/zinc/40/60/33/556406033.db2.gz QDCVQZWOTGPOCS-UHFFFAOYSA-N 0 0 428.598 3.980 50 0 IHAARN COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccccc1Cl ZINC000032590279 556406712 /nfs/dbraw/zinc/40/67/12/556406712.db2.gz QLEZRUJRNKLBIH-UGKGYDQZSA-N 0 0 448.032 3.557 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014247063 556406884 /nfs/dbraw/zinc/40/68/84/556406884.db2.gz MMHOCJKWLDWJAV-NRFANRHFSA-N 0 0 441.553 3.666 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219310702 556409007 /nfs/dbraw/zinc/40/90/07/556409007.db2.gz YEYDDNLVQOFSJF-HXUWFJFHSA-N 0 0 429.492 3.772 50 0 IHAARN COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 ZINC000032623786 556410943 /nfs/dbraw/zinc/41/09/43/556410943.db2.gz UGHMMPKXPVULOB-UHFFFAOYSA-N 0 0 432.885 3.640 50 0 IHAARN CC(=O)c1ccc(C)cc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000032624111 556411206 /nfs/dbraw/zinc/41/12/06/556411206.db2.gz WJWVUOAGWVFESK-UHFFFAOYSA-N 0 0 444.896 3.834 50 0 IHAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000059744974 556413313 /nfs/dbraw/zinc/41/33/13/556413313.db2.gz RVHGGEZLSNNUJZ-GMBSWORKSA-N 0 0 437.993 3.832 50 0 IHAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219359629 556413561 /nfs/dbraw/zinc/41/35/61/556413561.db2.gz QXUSVCUMRLZOJF-HXUWFJFHSA-N 0 0 441.521 3.995 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)CC2)c(OC)c1 ZINC000014350001 556413888 /nfs/dbraw/zinc/41/38/88/556413888.db2.gz MZAPHFJOJWIQMG-WNSKOXEYSA-N 0 0 425.481 3.557 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)CC2)c(OC)c1 ZINC000014350000 556413958 /nfs/dbraw/zinc/41/39/58/556413958.db2.gz MZAPHFJOJWIQMG-NPMXOYFQSA-N 0 0 425.481 3.557 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n1 ZINC000032671871 556414404 /nfs/dbraw/zinc/41/44/04/556414404.db2.gz BSRAFLRNSUUKDM-HNNXBMFYSA-N 0 0 428.539 3.847 50 0 IHAARN Cc1cc2nnc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2c2ccccc12 ZINC000032671972 556414455 /nfs/dbraw/zinc/41/44/55/556414455.db2.gz XJFSHTPUDKNLOS-AWEZNQCLSA-N 0 0 440.550 3.926 50 0 IHAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000004526925 556415028 /nfs/dbraw/zinc/41/50/28/556415028.db2.gz VTGOIYNLOJOMDF-UHFFFAOYSA-N 0 0 426.557 3.825 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000032674281 556415385 /nfs/dbraw/zinc/41/53/85/556415385.db2.gz LFQJLHAOSAJZNM-QOIAYPMSSA-N 0 0 440.584 3.642 50 0 IHAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000032674950 556415593 /nfs/dbraw/zinc/41/55/93/556415593.db2.gz WEYPBSXRLKBXHY-UHFFFAOYSA-N 0 0 435.477 3.781 50 0 IHAARN CCCCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)cc1 ZINC000032674768 556415662 /nfs/dbraw/zinc/41/56/62/556415662.db2.gz VRTPFKKRBVCIAF-JOCHJYFZSA-N 0 0 426.542 3.812 50 0 IHAARN O=C(NCCc1ccco1)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032676160 556415957 /nfs/dbraw/zinc/41/59/57/556415957.db2.gz YKKRXVCLYWYCMU-UHFFFAOYSA-N 0 0 434.517 3.884 50 0 IHAARN O=C(Nc1cc(Cl)ccc1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195546 556415997 /nfs/dbraw/zinc/41/59/97/556415997.db2.gz FQYKDPLXKLZQNZ-OAHLLOKOSA-N 0 0 441.890 3.770 50 0 IHAARN CCCn1c2ccccc2n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1=O ZINC000032830284 556416672 /nfs/dbraw/zinc/41/66/72/556416672.db2.gz XJZUOJVKZCRWDG-IBGZPJMESA-N 0 0 435.524 3.738 50 0 IHAARN COc1cc(CCC2CCN(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc(OC)c1 ZINC000012943502 556417353 /nfs/dbraw/zinc/41/73/53/556417353.db2.gz YDQOHLCNNABMOB-BVZFJXPGSA-N 0 0 443.588 3.807 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032836942 556418566 /nfs/dbraw/zinc/41/85/66/556418566.db2.gz XESKYUDIYQWCEH-UHFFFAOYSA-N 0 0 428.916 3.921 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnnn2-c2ccccc2)cs1 ZINC000032837556 556418712 /nfs/dbraw/zinc/41/87/12/556418712.db2.gz LKRKOPSLRAPWBZ-UHFFFAOYSA-N 0 0 434.550 3.776 50 0 IHAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000032837330 556418789 /nfs/dbraw/zinc/41/87/89/556418789.db2.gz IUYNGZXEXHHIOJ-HRAATJIYSA-N 0 0 426.538 3.835 50 0 IHAARN C[C@H]1Cc2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)ccc2N1S(C)(=O)=O ZINC000012973222 556419664 /nfs/dbraw/zinc/41/96/64/556419664.db2.gz DAOXEHGLIUJEMF-LBPRGKRZSA-N 0 0 427.353 3.976 50 0 IHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000012974762 556420481 /nfs/dbraw/zinc/42/04/81/556420481.db2.gz IEPHYOKWLMFETN-SFHVURJKSA-N 0 0 432.611 3.913 50 0 IHAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C(C)(C)C)CC2=O)cc1 ZINC000014538216 556424388 /nfs/dbraw/zinc/42/43/88/556424388.db2.gz FBFRXVDLXHHQJW-OAQYLSRUSA-N 0 0 442.531 3.637 50 0 IHAARN CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014539853 556424982 /nfs/dbraw/zinc/42/49/82/556424982.db2.gz DANJYCMKTFQHOT-UHFFFAOYSA-N 0 0 432.524 3.625 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012985628 556426593 /nfs/dbraw/zinc/42/65/93/556426593.db2.gz UZBYXWBLMKMUNK-UHFFFAOYSA-N 0 0 434.508 3.557 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012985490 556426608 /nfs/dbraw/zinc/42/66/08/556426608.db2.gz AHRFZVPLJVDVNL-NSHDSACASA-N 0 0 426.888 3.674 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)n2)cc1 ZINC000012986333 556427131 /nfs/dbraw/zinc/42/71/31/556427131.db2.gz YRSOOLLCTQWHQO-CYBMUJFWSA-N 0 0 443.550 3.782 50 0 IHAARN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000012986735 556427142 /nfs/dbraw/zinc/42/71/42/556427142.db2.gz WRODXVSGVFDBGW-UHFFFAOYSA-N 0 0 439.825 3.834 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cs1 ZINC000012989378 556428241 /nfs/dbraw/zinc/42/82/41/556428241.db2.gz VCUDPPBLMATXGF-UHFFFAOYSA-N 0 0 446.337 3.596 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1NC(C)=O ZINC000012993371 556429218 /nfs/dbraw/zinc/42/92/18/556429218.db2.gz IOBXCFOCUPJUSH-HXUWFJFHSA-N 0 0 434.514 3.922 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nc3ccccc32)c1 ZINC000032845140 556429220 /nfs/dbraw/zinc/42/92/20/556429220.db2.gz GRSVYMUWJHSVFM-UHFFFAOYSA-N 0 0 431.945 3.901 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H](C)c1cccs1 ZINC000014602972 556429274 /nfs/dbraw/zinc/42/92/74/556429274.db2.gz XQDAAQLQZKNEPQ-HNNXBMFYSA-N 0 0 442.562 3.999 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)CC1 ZINC000012994580 556430265 /nfs/dbraw/zinc/43/02/65/556430265.db2.gz QFYCGLMUXAJZCI-UHFFFAOYSA-N 0 0 432.571 3.600 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccccc1Br ZINC000032848096 556430682 /nfs/dbraw/zinc/43/06/82/556430682.db2.gz ZMGRHNJPWLROPW-UHFFFAOYSA-N 0 0 428.286 3.994 50 0 IHAARN Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)n2)c(C)c1 ZINC000012995470 556430776 /nfs/dbraw/zinc/43/07/76/556430776.db2.gz ISNMEYVOYOPYDW-UHFFFAOYSA-N 0 0 435.557 3.943 50 0 IHAARN O=C(CN1CC=C(c2ccc(O)cc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000032851115 556431828 /nfs/dbraw/zinc/43/18/28/556431828.db2.gz GJTNYTKARXTKLG-UHFFFAOYSA-N 0 0 443.429 3.720 50 0 IHAARN Cc1c(C(=O)N(C)Cc2ccccc2Br)sc2nc3n(c(=O)c12)CCC3 ZINC000012998780 556432360 /nfs/dbraw/zinc/43/23/60/556432360.db2.gz FYAQQNRJACQMJE-UHFFFAOYSA-N 0 0 432.343 3.747 50 0 IHAARN CCCCCCn1nc(C(=O)O[C@@H](C)C(=O)NCc2cccs2)c2ccccc2c1=O ZINC000012998387 556432388 /nfs/dbraw/zinc/43/23/88/556432388.db2.gz IOQCNDKKXAJGFJ-INIZCTEOSA-N 0 0 441.553 3.900 50 0 IHAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccnc2N(C)C)c1 ZINC000032687838 556432679 /nfs/dbraw/zinc/43/26/79/556432679.db2.gz GKGCDHGOTPYDQN-UHFFFAOYSA-N 0 0 441.535 3.998 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000014697442 556432870 /nfs/dbraw/zinc/43/28/70/556432870.db2.gz SLOWSFINVWYJLJ-UHFFFAOYSA-N 0 0 438.720 3.553 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000032854771 556432905 /nfs/dbraw/zinc/43/29/05/556432905.db2.gz RXQXFKKVFKDTTF-HXUWFJFHSA-N 0 0 426.900 3.734 50 0 IHAARN Cc1cc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)ccc1Cl ZINC000013000687 556433168 /nfs/dbraw/zinc/43/31/68/556433168.db2.gz MAYDHNFSUHNEHY-UHFFFAOYSA-N 0 0 428.872 3.885 50 0 IHAARN Cc1nc(C2(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)CCCCC2)no1 ZINC000013008557 556435427 /nfs/dbraw/zinc/43/54/27/556435427.db2.gz ZKKZXMXIVBOHGI-UHFFFAOYSA-N 0 0 429.480 3.667 50 0 IHAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013014013 556436630 /nfs/dbraw/zinc/43/66/30/556436630.db2.gz NZBRQMQEKPYPOB-UHFFFAOYSA-N 0 0 435.509 3.500 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000013014682 556436992 /nfs/dbraw/zinc/43/69/92/556436992.db2.gz BDAJSWHRRUIDTK-UHFFFAOYSA-N 0 0 437.521 3.878 50 0 IHAARN Cn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)nnc1-c1ccco1 ZINC000013018200 556439013 /nfs/dbraw/zinc/43/90/13/556439013.db2.gz URIVDANOEGTXMN-UHFFFAOYSA-N 0 0 439.522 3.633 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2ccccc2nc1N1CCCC1 ZINC000013020837 556439687 /nfs/dbraw/zinc/43/96/87/556439687.db2.gz RAWDBCMYWHXBAE-UHFFFAOYSA-N 0 0 437.887 3.820 50 0 IHAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H](C)O1 ZINC000027991264 556439981 /nfs/dbraw/zinc/43/99/81/556439981.db2.gz TVIRWQWGUJCZCJ-ROUUACIJSA-N 0 0 444.535 3.863 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCCCCNS(C)(=O)=O)c2ccccc2)c1 ZINC000013037796 556443273 /nfs/dbraw/zinc/44/32/73/556443273.db2.gz XLMRKUPXKISFIZ-QFIPXVFZSA-N 0 0 446.569 3.636 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c1OC ZINC000011027669 556445199 /nfs/dbraw/zinc/44/51/99/556445199.db2.gz CBTMBVBLWUTJAL-UHFFFAOYSA-N 0 0 430.468 3.984 50 0 IHAARN CCCCn1c2nc(CCC(=O)Nc3cccc(C)c3C)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000013039553 556445370 /nfs/dbraw/zinc/44/53/70/556445370.db2.gz SLHKSEJGWRQLHT-UHFFFAOYSA-N 0 0 439.560 3.531 50 0 IHAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c2cc1C(C)C ZINC000013039691 556445657 /nfs/dbraw/zinc/44/56/57/556445657.db2.gz URSOVJCHPWULOA-RUZDIDTESA-N 0 0 448.475 3.921 50 0 IHAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1C ZINC000032859550 556445795 /nfs/dbraw/zinc/44/57/95/556445795.db2.gz RCQQBJFIHTXGEI-JLCFBVMHSA-N 0 0 431.920 3.616 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 ZINC000013040731 556446541 /nfs/dbraw/zinc/44/65/41/556446541.db2.gz GLPUAPWOTLZISM-FQEVSTJZSA-N 0 0 449.551 3.807 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C)cc(C)c1)n2C ZINC000013057998 556449378 /nfs/dbraw/zinc/44/93/78/556449378.db2.gz GVTQTJLYJRQBNQ-UHFFFAOYSA-N 0 0 442.585 3.792 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)CC(F)(F)F)c1 ZINC000072273491 556452104 /nfs/dbraw/zinc/45/21/04/556452104.db2.gz SEWJDGKEIKAKLD-UHFFFAOYSA-N 0 0 428.457 3.905 50 0 IHAARN O=C(c1ccccc1)N1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000014878693 556452505 /nfs/dbraw/zinc/45/25/05/556452505.db2.gz UVYBHHVIIPASBI-HJKZNEBBSA-N 0 0 443.591 3.787 50 0 IHAARN CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)s1 ZINC000013068724 556452650 /nfs/dbraw/zinc/45/26/50/556452650.db2.gz NJEDYZOXEBBOLC-UHFFFAOYSA-N 0 0 436.946 3.831 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000013072077 556453746 /nfs/dbraw/zinc/45/37/46/556453746.db2.gz AVUFYSWQNVZEJA-UHFFFAOYSA-N 0 0 437.359 3.877 50 0 IHAARN CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)cc21 ZINC000028403974 556453737 /nfs/dbraw/zinc/45/37/37/556453737.db2.gz VMWCUTKZSRSJSX-UHFFFAOYSA-N 0 0 428.242 3.712 50 0 IHAARN O=C(COc1ccccc1)N1CCC2(C[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000014881353 556453914 /nfs/dbraw/zinc/45/39/14/556453914.db2.gz PWXRIFRCMOGUKY-QFIPXVFZSA-N 0 0 430.508 3.519 50 0 IHAARN CCCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000013072487 556453985 /nfs/dbraw/zinc/45/39/85/556453985.db2.gz JEOINPQRSJVJEB-UHFFFAOYSA-N 0 0 433.921 3.720 50 0 IHAARN O=C(c1ccc(Br)cc1)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1 ZINC000028516265 556456362 /nfs/dbraw/zinc/45/63/62/556456362.db2.gz BJOGDFCLMAWNQZ-UHFFFAOYSA-N 0 0 442.357 3.888 50 0 IHAARN COC[C@@H](C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O ZINC000028683678 556458719 /nfs/dbraw/zinc/45/87/19/556458719.db2.gz WQLALCWTGXBWIL-SJORKVTESA-N 0 0 437.565 3.669 50 0 IHAARN CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000014947820 556459954 /nfs/dbraw/zinc/45/99/54/556459954.db2.gz FUFJFLPYGLNIQS-VWLOTQADSA-N 0 0 427.548 3.703 50 0 IHAARN Cc1ccc(SC2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3cccs3)CC2)cc1 ZINC000014962443 556464273 /nfs/dbraw/zinc/46/42/73/556464273.db2.gz VZYLQLRNPXFALJ-NRFANRHFSA-N 0 0 443.638 3.530 50 0 IHAARN Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(OCC(N)=O)cc3)cccc2c1=O ZINC000029014079 556465627 /nfs/dbraw/zinc/46/56/27/556465627.db2.gz ZFXYTWJHBXMFKR-UHFFFAOYSA-N 0 0 428.444 3.885 50 0 IHAARN COc1ccc2cc([C@H](C)C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ccc2c1 ZINC000013112879 556465924 /nfs/dbraw/zinc/46/59/24/556465924.db2.gz JSBPXYABWSKRPG-SFHVURJKSA-N 0 0 449.526 3.874 50 0 IHAARN COc1ccc(CNc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)cc1OC ZINC000013117603 556470464 /nfs/dbraw/zinc/47/04/64/556470464.db2.gz CMLQAQSOGBDOCS-UHFFFAOYSA-N 0 0 428.558 3.770 50 0 IHAARN COCCn1c(SCCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 ZINC000032870955 556471717 /nfs/dbraw/zinc/47/17/17/556471717.db2.gz GYSRRZKVOKTMIC-UHFFFAOYSA-N 0 0 435.615 3.524 50 0 IHAARN CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000029449305 556475365 /nfs/dbraw/zinc/47/53/65/556475365.db2.gz GUYSFLGOKTVBOC-SSEXGKCCSA-N 0 0 445.928 3.508 50 0 IHAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)NCCCn3ccnc3)cc(NC(C)=O)c21 ZINC000014995395 556477685 /nfs/dbraw/zinc/47/76/85/556477685.db2.gz YZVIGKGBWVZCOM-UHFFFAOYSA-N 0 0 448.502 3.837 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC ZINC000013129071 556478894 /nfs/dbraw/zinc/47/88/94/556478894.db2.gz MHZVOXWNYHYSMJ-UHFFFAOYSA-N 0 0 436.508 3.580 50 0 IHAARN CSc1nc2ccc(NC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)cc2s1 ZINC000029648928 556479428 /nfs/dbraw/zinc/47/94/28/556479428.db2.gz LDINLSAUXZVZOT-WBVHZDCISA-N 0 0 447.582 3.939 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC1CCCCC1 ZINC000013130038 556479583 /nfs/dbraw/zinc/47/95/83/556479583.db2.gz MFKPIBQKIJCOAJ-HXUWFJFHSA-N 0 0 448.629 3.828 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000013132678 556481036 /nfs/dbraw/zinc/48/10/36/556481036.db2.gz OWDZBMLBXSAWSZ-UHFFFAOYSA-N 0 0 434.473 3.870 50 0 IHAARN C[C@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C ZINC000072288898 556482577 /nfs/dbraw/zinc/48/25/77/556482577.db2.gz IKYYCSWXQPEQTI-YNAUYEQNSA-N 0 0 434.584 3.958 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)C1 ZINC000015009482 556482941 /nfs/dbraw/zinc/48/29/41/556482941.db2.gz UXBXROJTMYWKJW-TXEJJXNPSA-N 0 0 448.390 3.876 50 0 IHAARN O=C(COC(=O)CCCSc1nc2ccccc2s1)NC(=O)NCc1ccccc1 ZINC000013135034 556483098 /nfs/dbraw/zinc/48/30/98/556483098.db2.gz HOUXQCBRFMHLJU-UHFFFAOYSA-N 0 0 443.550 3.738 50 0 IHAARN CC(C)n1c(CCNC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n[nH]c1=S ZINC000072289111 556483151 /nfs/dbraw/zinc/48/31/51/556483151.db2.gz DCOLPRYZWOGDQS-UHFFFAOYSA-N 0 0 437.591 3.602 50 0 IHAARN NC(=O)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000029804806 556483209 /nfs/dbraw/zinc/48/32/09/556483209.db2.gz GNSUQTWHEYMWAR-UHFFFAOYSA-N 0 0 446.435 3.509 50 0 IHAARN CCOC(=O)N(C)c1ccc(NC(=O)c2cc(C)ccc2N(CCOC)CCOC)cc1 ZINC000072289512 556483852 /nfs/dbraw/zinc/48/38/52/556483852.db2.gz YYUHKXFRTZPTIP-UHFFFAOYSA-N 0 0 443.544 3.939 50 0 IHAARN Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OCC(=O)N(C)C)s2)cc1F ZINC000029879172 556485246 /nfs/dbraw/zinc/48/52/46/556485246.db2.gz CBPMVKOBUJOCAE-UHFFFAOYSA-N 0 0 427.501 3.901 50 0 IHAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029894840 556485803 /nfs/dbraw/zinc/48/58/03/556485803.db2.gz UQMHDXXCWHAUIO-QHCPKHFHSA-N 0 0 445.494 3.652 50 0 IHAARN COc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl ZINC000029895838 556485815 /nfs/dbraw/zinc/48/58/15/556485815.db2.gz VEAYJGHPBUJHFO-UWJYYQICSA-N 0 0 444.915 3.830 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1F ZINC000013141495 556486996 /nfs/dbraw/zinc/48/69/96/556486996.db2.gz QCJGFOWBGBJOPZ-UHFFFAOYSA-N 0 0 446.434 3.726 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CC3)CC2)c1 ZINC000029983993 556487899 /nfs/dbraw/zinc/48/78/99/556487899.db2.gz PFXDCKYJGRBYMX-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c(OC)c1 ZINC000032876545 556489129 /nfs/dbraw/zinc/48/91/29/556489129.db2.gz DMKSCAZQJDXTNJ-UHFFFAOYSA-N 0 0 448.504 3.529 50 0 IHAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1N1CCOCC1 ZINC000030013085 556489262 /nfs/dbraw/zinc/48/92/62/556489262.db2.gz RCUAJLBNYBFHIH-QFIPXVFZSA-N 0 0 426.520 3.961 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c(=O)c2ccccc12 ZINC000030013357 556489269 /nfs/dbraw/zinc/48/92/69/556489269.db2.gz UHFHBXNMDGIZDX-UHFFFAOYSA-N 0 0 427.508 3.882 50 0 IHAARN CN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12)C[C@@H]1CCCCO1 ZINC000015064164 556491608 /nfs/dbraw/zinc/49/16/08/556491608.db2.gz ZNGLRUCZFNYLLO-IBGZPJMESA-N 0 0 426.586 3.711 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCCc1cccc(Cl)c1 ZINC000015064234 556491734 /nfs/dbraw/zinc/49/17/34/556491734.db2.gz CIEKAEBOIGCGEK-HSZRJFAPSA-N 0 0 435.955 3.543 50 0 IHAARN CCOc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ccc1OCc1cccnc1 ZINC000030231291 556492019 /nfs/dbraw/zinc/49/20/19/556492019.db2.gz DGDNNWXPDIONFO-UHFFFAOYSA-N 0 0 441.509 3.683 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000013163493 556493705 /nfs/dbraw/zinc/49/37/05/556493705.db2.gz LPSKXJBTKGJUTQ-HSZRJFAPSA-N 0 0 444.553 3.650 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccccc1Cl ZINC000013163443 556493762 /nfs/dbraw/zinc/49/37/62/556493762.db2.gz QXLJDYXEYIUZEH-SFHVURJKSA-N 0 0 446.352 3.919 50 0 IHAARN C[C@@H](Oc1ccc(CCO)cc1-n1nc2ccccc2n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000013163495 556493789 /nfs/dbraw/zinc/49/37/89/556493789.db2.gz QYOFEPNMYUPNIS-QGZVFWFLSA-N 0 0 442.519 3.850 50 0 IHAARN O=C(CCC1CCCC1)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000030393623 556493977 /nfs/dbraw/zinc/49/39/77/556493977.db2.gz XDFMYIGTAKDHFP-UHFFFAOYSA-N 0 0 440.588 3.572 50 0 IHAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000013163694 556494502 /nfs/dbraw/zinc/49/45/02/556494502.db2.gz QSCJPAXGZNLAIL-LJQANCHMSA-N 0 0 445.610 3.502 50 0 IHAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000015070927 556495695 /nfs/dbraw/zinc/49/56/95/556495695.db2.gz RFFUIZGWEIMCNW-CALCHBBNSA-N 0 0 449.580 3.825 50 0 IHAARN O=C(Cc1cccc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013164733 556496947 /nfs/dbraw/zinc/49/69/47/556496947.db2.gz IKKPWLANBFFMQO-FQEVSTJZSA-N 0 0 427.504 3.827 50 0 IHAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2snnc2C)C3)c1 ZINC000015072710 556497030 /nfs/dbraw/zinc/49/70/30/556497030.db2.gz BNWWACBJMASJOK-INIZCTEOSA-N 0 0 425.485 3.897 50 0 IHAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnnn3-c3ccc(O)cc3)cs2)cc1 ZINC000013164785 556497263 /nfs/dbraw/zinc/49/72/63/556497263.db2.gz RPKRHXIANGWWAI-UHFFFAOYSA-N 0 0 438.538 3.606 50 0 IHAARN COC(=O)c1cc(CN(C)C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)oc1C ZINC000030574232 556498420 /nfs/dbraw/zinc/49/84/20/556498420.db2.gz OMUKRJQNWLUOOQ-UHFFFAOYSA-N 0 0 436.390 3.555 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000030586819 556498675 /nfs/dbraw/zinc/49/86/75/556498675.db2.gz UGXQBCUWMPYXPH-QFIPXVFZSA-N 0 0 445.441 3.711 50 0 IHAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(c3ccnc(N(C)C)n3)CC2)n1 ZINC000072292438 556501018 /nfs/dbraw/zinc/50/10/18/556501018.db2.gz CZILCIUNDLWLNR-UHFFFAOYSA-N 0 0 431.569 3.849 50 0 IHAARN COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)C1CCN(C(C)=O)CC1 ZINC000013321686 556502392 /nfs/dbraw/zinc/50/23/92/556502392.db2.gz CVQVFEWRGHLSIH-UHFFFAOYSA-N 0 0 429.542 3.823 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000030731789 556502703 /nfs/dbraw/zinc/50/27/03/556502703.db2.gz RETUFYPHHIVYCN-UHFFFAOYSA-N 0 0 426.488 3.958 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000015097599 556503571 /nfs/dbraw/zinc/50/35/71/556503571.db2.gz KQUXCFMIGCHWRD-UHFFFAOYSA-N 0 0 440.565 3.811 50 0 IHAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)Nc1ncccn1 ZINC000032879770 556505479 /nfs/dbraw/zinc/50/54/79/556505479.db2.gz HQZYKNYZQCUCKV-LSDHHAIUSA-N 0 0 449.540 3.515 50 0 IHAARN COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013424492 556505482 /nfs/dbraw/zinc/50/54/82/556505482.db2.gz FWYSMVOHYVOOLS-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN CCCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2nc(C)c1=O ZINC000064890399 556505717 /nfs/dbraw/zinc/50/57/17/556505717.db2.gz RPQZMPRQWOEIBL-SFHVURJKSA-N 0 0 443.507 3.994 50 0 IHAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)Nc1ccccc1 ZINC000015183819 556508691 /nfs/dbraw/zinc/50/86/91/556508691.db2.gz HZDXYNKCDAWLCD-UHFFFAOYSA-N 0 0 445.548 3.991 50 0 IHAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015181820 556508776 /nfs/dbraw/zinc/50/87/76/556508776.db2.gz NLFBDDBYIQNDII-VIFPVBQESA-N 0 0 427.960 3.716 50 0 IHAARN CC(C)(C)NC(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000032717222 556509089 /nfs/dbraw/zinc/50/90/89/556509089.db2.gz QKUSLBBLTYKPON-UHFFFAOYSA-N 0 0 427.549 3.534 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000032895055 556514602 /nfs/dbraw/zinc/51/46/02/556514602.db2.gz QZRKJQNUKRQHHC-NSHDSACASA-N 0 0 435.962 3.655 50 0 IHAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 ZINC000013554610 556515845 /nfs/dbraw/zinc/51/58/45/556515845.db2.gz RONAVVNVXVQDKC-YWBKXGLFSA-N 0 0 441.597 3.546 50 0 IHAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC[C@@H](O)c1ccccc1 ZINC000013554724 556515913 /nfs/dbraw/zinc/51/59/13/556515913.db2.gz RTDMMGYSMCFWTB-LJQANCHMSA-N 0 0 427.884 3.554 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCC1 ZINC000013556540 556516884 /nfs/dbraw/zinc/51/68/84/556516884.db2.gz UINNDYXPCUPFCV-YCRNBWNJSA-N 0 0 443.613 3.625 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 ZINC000032898868 556517233 /nfs/dbraw/zinc/51/72/33/556517233.db2.gz IDZMDHXPICUXME-GOSISDBHSA-N 0 0 441.553 3.846 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H](C)n2c3ccccc3oc2=O)o1 ZINC000032889970 556518862 /nfs/dbraw/zinc/51/88/62/556518862.db2.gz XCGYVWIQYISTFL-CYBMUJFWSA-N 0 0 446.419 3.912 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000013566393 556519590 /nfs/dbraw/zinc/51/95/90/556519590.db2.gz PDBIEXDTWOJFGD-UHFFFAOYSA-N 0 0 445.928 3.865 50 0 IHAARN CC(C)CCc1nc(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)cs1 ZINC000072295910 556520436 /nfs/dbraw/zinc/52/04/36/556520436.db2.gz VTOAWZLSLPWLSM-UHFFFAOYSA-N 0 0 436.578 3.553 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C ZINC000015342398 556522196 /nfs/dbraw/zinc/52/21/96/556522196.db2.gz JTYPMIVNGWYZQA-ZDUSSCGKSA-N 0 0 434.953 3.517 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000013572292 556522873 /nfs/dbraw/zinc/52/28/73/556522873.db2.gz FMHGSFHMLCYQNI-KGENOOAVSA-N 0 0 449.532 3.962 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000015364002 556523319 /nfs/dbraw/zinc/52/33/19/556523319.db2.gz SJJHEMZBSZIVAI-UHFFFAOYSA-N 0 0 439.375 3.879 50 0 IHAARN O=c1[nH]c2ccc(N(Cc3ccccc3)S(=O)(=O)c3cccc4cccnc43)cc2[nH]1 ZINC000072301103 556524158 /nfs/dbraw/zinc/52/41/58/556524158.db2.gz SVDZHAOLYICNTL-UHFFFAOYSA-N 0 0 430.489 3.800 50 0 IHAARN COc1ccccc1[C@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000013574693 556524718 /nfs/dbraw/zinc/52/47/18/556524718.db2.gz RZSXSEIXFVIEHE-HSZRJFAPSA-N 0 0 445.519 3.569 50 0 IHAARN COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@H]2c2ccccc2)cc1 ZINC000015412540 556525122 /nfs/dbraw/zinc/52/51/22/556525122.db2.gz FMHOHHVACFICBH-XMMPIXPASA-N 0 0 432.476 3.834 50 0 IHAARN C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Br)cc1)OCCCO3 ZINC000013576625 556526359 /nfs/dbraw/zinc/52/63/59/556526359.db2.gz RQPBITJXDVSCBO-CYBMUJFWSA-N 0 0 438.343 3.918 50 0 IHAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@@H](c3ccsc3)C2=O)c1 ZINC000015413458 556526391 /nfs/dbraw/zinc/52/63/91/556526391.db2.gz PWQJPGFOHCJXJY-QFIPXVFZSA-N 0 0 438.505 3.895 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000013577238 556526820 /nfs/dbraw/zinc/52/68/20/556526820.db2.gz CNLPWOJEOUOOOK-RUZDIDTESA-N 0 0 435.451 3.850 50 0 IHAARN O=C(CC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 ZINC000004425330 556526867 /nfs/dbraw/zinc/52/68/67/556526867.db2.gz OARDUXCXSFGZTI-QHCPKHFHSA-N 0 0 430.504 3.625 50 0 biogenic IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)cc1 ZINC000015437931 556527911 /nfs/dbraw/zinc/52/79/11/556527911.db2.gz MYJVCVULGLKFMS-UHFFFAOYSA-N 0 0 438.505 3.912 50 0 IHAARN CSCC[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000032721140 556528671 /nfs/dbraw/zinc/52/86/71/556528671.db2.gz HZUJFPPGJHQGRP-QGZVFWFLSA-N 0 0 437.974 3.601 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)N2CCOCC2)cc1 ZINC000032900201 556528918 /nfs/dbraw/zinc/52/89/18/556528918.db2.gz KJYWWHLJUHBLHU-VWLOTQADSA-N 0 0 442.515 3.710 50 0 IHAARN COC(=O)c1c(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc2c1-c1ccccc1 ZINC000015481584 556530202 /nfs/dbraw/zinc/53/02/02/556530202.db2.gz VCZCZLKAANOVDG-UHFFFAOYSA-N 0 0 429.520 3.743 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)Sc2nnc3ccc(C(F)(F)F)cn32)cc1OC ZINC000032899846 556531285 /nfs/dbraw/zinc/53/12/85/556531285.db2.gz HFQOHWCFCRSFHA-NSHDSACASA-N 0 0 440.447 3.562 50 0 IHAARN COc1ccccc1NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000013601743 556532740 /nfs/dbraw/zinc/53/27/40/556532740.db2.gz QZWNSJCNZYXNPO-CPNJWEJPSA-N 0 0 433.464 3.517 50 0 IHAARN COc1cc(OC)cc([C@H](NC(=O)COc2cccc3ccccc32)c2nccn2C)c1 ZINC000015520126 556532941 /nfs/dbraw/zinc/53/29/41/556532941.db2.gz WNYAYVUPNKQWFC-DEOSSOPVSA-N 0 0 431.492 3.875 50 0 IHAARN O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000015523879 556533107 /nfs/dbraw/zinc/53/31/07/556533107.db2.gz ZZQTVJUHEINIGU-UHFFFAOYSA-N 0 0 447.505 3.851 50 0 IHAARN CC(C)C(=O)N[C@@]1(CC(=O)c2ccc(Br)cc2)c2ccccc2N(C)C1=O ZINC000013623861 556536071 /nfs/dbraw/zinc/53/60/71/556536071.db2.gz ZKNBUDWUIJBNES-NRFANRHFSA-N 0 0 429.314 3.666 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)c1C ZINC000015636619 556539574 /nfs/dbraw/zinc/53/95/74/556539574.db2.gz MTEYGMCFGCNPGW-UHFFFAOYSA-N 0 0 447.626 3.905 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904399 556543966 /nfs/dbraw/zinc/54/39/66/556543966.db2.gz DUUDDRFIXXIEFT-HNNXBMFYSA-N 0 0 435.509 3.964 50 0 IHAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000032721730 556547264 /nfs/dbraw/zinc/54/72/64/556547264.db2.gz SCCURGJGNMBGEP-UHFFFAOYSA-N 0 0 431.233 3.508 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cc(CC)no3)cc2c1C ZINC000033086980 556553960 /nfs/dbraw/zinc/55/39/60/556553960.db2.gz ZGPXMXCDQWWROO-QGZVFWFLSA-N 0 0 432.498 3.994 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000015869607 556560270 /nfs/dbraw/zinc/56/02/70/556560270.db2.gz ZDMATZXTGPCSAG-UHFFFAOYSA-N 0 0 428.554 3.977 50 0 IHAARN O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccccc1Cl ZINC000015885254 556561282 /nfs/dbraw/zinc/56/12/82/556561282.db2.gz UAZDHPQNNHDKGS-AQTBWJFISA-N 0 0 449.732 3.732 50 0 IHAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1NS(C)(=O)=O ZINC000032908889 556566354 /nfs/dbraw/zinc/56/63/54/556566354.db2.gz SXHIDMYZVWMBPZ-UHFFFAOYSA-N 0 0 429.567 3.996 50 0 IHAARN OCCN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(Br)cc32)CC1 ZINC000033884267 556568762 /nfs/dbraw/zinc/56/87/62/556568762.db2.gz LDEZXABKDITBRB-SFHVURJKSA-N 0 0 437.378 3.947 50 0 IHAARN COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000015966578 556569679 /nfs/dbraw/zinc/56/96/79/556569679.db2.gz LBAUHWVRQRKXHI-LJQANCHMSA-N 0 0 444.597 3.899 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000015971636 556569993 /nfs/dbraw/zinc/56/99/93/556569993.db2.gz KGDBUUKQJOLCJU-BKTORNKPSA-N 0 0 441.915 3.628 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=NN2[C@@H]3C(=O)C(C)(C)C)c(C)c1 ZINC000015987309 556571517 /nfs/dbraw/zinc/57/15/17/556571517.db2.gz LUTMBYDCPBWKOP-CBPXPLCBSA-N 0 0 429.520 3.797 50 0 IHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3N2)c1 ZINC000000884034 556573526 /nfs/dbraw/zinc/57/35/26/556573526.db2.gz ZXUNBFXBUDOGMM-MSOLQXFVSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000016020823 556574932 /nfs/dbraw/zinc/57/49/32/556574932.db2.gz NNVCKKWETVELFA-SQJMNOBHSA-N 0 0 428.444 3.785 50 0 IHAARN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 ZINC000002812014 556575084 /nfs/dbraw/zinc/57/50/84/556575084.db2.gz BMCCWWPVGSDIEO-UHFFFAOYSA-N 0 0 447.007 3.730 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000016046043 556579863 /nfs/dbraw/zinc/57/98/63/556579863.db2.gz YAJVEGJTWLMIIU-UHFFFAOYSA-N 0 0 433.489 3.606 50 0 IHAARN O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000016045902 556579921 /nfs/dbraw/zinc/57/99/21/556579921.db2.gz VGFHBBJDHNOFMX-UHFFFAOYSA-N 0 0 430.533 3.618 50 0 IHAARN C[C@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000016046252 556580187 /nfs/dbraw/zinc/58/01/87/556580187.db2.gz KRAODQSKMTWWES-ZDUSSCGKSA-N 0 0 435.596 3.693 50 0 IHAARN COc1ccc(CN(C(=O)CN(C)CCOc2ccc(Br)cc2)C2CC2)cc1 ZINC000016046821 556580369 /nfs/dbraw/zinc/58/03/69/556580369.db2.gz YIIAGOVPQJWPLO-UHFFFAOYSA-N 0 0 447.373 3.960 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000016086037 556582174 /nfs/dbraw/zinc/58/21/74/556582174.db2.gz LJVCONOWAPSGDL-UHFFFAOYSA-N 0 0 437.359 3.505 50 0 IHAARN Cn1cnnc1[C@H]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=S)C1 ZINC000032911760 556585135 /nfs/dbraw/zinc/58/51/35/556585135.db2.gz ZWOLOMLKPBPLBT-KRWDZBQOSA-N 0 0 425.606 3.881 50 0 IHAARN O=C(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016246820 556594093 /nfs/dbraw/zinc/59/40/93/556594093.db2.gz FVLPXUQOYNZACE-XBXARRHUSA-N 0 0 429.314 3.535 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000016262079 556595094 /nfs/dbraw/zinc/59/50/94/556595094.db2.gz UJYYAFFCXXBHLV-IEBWSBKVSA-N 0 0 426.929 3.782 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000100861247 556598069 /nfs/dbraw/zinc/59/80/69/556598069.db2.gz KVVISXJNIQBRJF-LSDHQDQOSA-N 0 0 435.546 3.541 50 0 IHAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCCCN1CCCC1=O ZINC000016346613 556601626 /nfs/dbraw/zinc/60/16/26/556601626.db2.gz ITNSGHHBPCAFJU-UHFFFAOYSA-N 0 0 445.610 3.815 50 0 IHAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1Cl ZINC000032983447 556602127 /nfs/dbraw/zinc/60/21/27/556602127.db2.gz PDQCRRAWNZWHSN-UHFFFAOYSA-N 0 0 441.919 3.919 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000016426813 556606789 /nfs/dbraw/zinc/60/67/89/556606789.db2.gz KEBJSSFRCQBYPF-UHFFFAOYSA-N 0 0 449.576 3.754 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccccc3Cl)s2)cc1 ZINC000032987429 556607427 /nfs/dbraw/zinc/60/74/27/556607427.db2.gz AWZMVVGGDUHWGW-UHFFFAOYSA-N 0 0 430.917 3.585 50 0 IHAARN COc1ccc([C@@H](NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 ZINC000016476407 556610683 /nfs/dbraw/zinc/61/06/83/556610683.db2.gz LSNUDLYTTLOCRL-LADGPHEKSA-N 0 0 430.508 3.599 50 0 IHAARN COC(OC)c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000038534075 556613438 /nfs/dbraw/zinc/61/34/38/556613438.db2.gz RATUHWCDWMSBMV-LBPRGKRZSA-N 0 0 431.327 3.771 50 0 IHAARN COc1ccc(N2CN(C[C@@H]3CCCO3)Cn3c(=O)c(Cc4ccccc4)c(C)nc32)cc1 ZINC000038829979 556621284 /nfs/dbraw/zinc/62/12/84/556621284.db2.gz VIEGALFNFKBFEN-QHCPKHFHSA-N 0 0 446.551 3.699 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000016667704 556621644 /nfs/dbraw/zinc/62/16/44/556621644.db2.gz XJXDPCVIZRSBCW-VKEHZKFDSA-N 0 0 436.558 3.525 50 0 IHAARN COc1ccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000033690109 556621692 /nfs/dbraw/zinc/62/16/92/556621692.db2.gz GGLBHDZZFIUCKX-KQWNVCNZSA-N 0 0 444.512 3.923 50 0 IHAARN COc1cc(F)ccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016675845 556622313 /nfs/dbraw/zinc/62/23/13/556622313.db2.gz LDKUFEHTJICCGD-UHFFFAOYSA-N 0 0 440.540 3.930 50 0 IHAARN O=C(c1cccc(F)c1)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100570677 556622578 /nfs/dbraw/zinc/62/25/78/556622578.db2.gz BZQNEGBZXJLRFO-QFIPXVFZSA-N 0 0 434.442 3.982 50 0 IHAARN CCOc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 ZINC000016691641 556627343 /nfs/dbraw/zinc/62/73/43/556627343.db2.gz ATDDJUNKFWSNRI-NJNPRVFISA-N 0 0 428.554 3.585 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)o1 ZINC000097937979 556627674 /nfs/dbraw/zinc/62/76/74/556627674.db2.gz VUJCXXSZOAITKK-UHFFFAOYSA-N 0 0 430.512 3.628 50 0 IHAARN O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000016734587 556632716 /nfs/dbraw/zinc/63/27/16/556632716.db2.gz MACKXEFWHBHOOY-MOSHPQCFSA-N 0 0 447.903 3.563 50 0 IHAARN Cc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016742185 556636101 /nfs/dbraw/zinc/63/61/01/556636101.db2.gz SPSVKPQPODPZOD-OAQYLSRUSA-N 0 0 429.582 3.887 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 ZINC000016742638 556636686 /nfs/dbraw/zinc/63/66/86/556636686.db2.gz SOSKQHJJFXTJOC-UHFFFAOYSA-N 0 0 448.957 3.929 50 0 IHAARN Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040392006 556638096 /nfs/dbraw/zinc/63/80/96/556638096.db2.gz GBHOKEMQIYZQFV-UHFFFAOYSA-N 0 0 448.845 3.591 50 0 IHAARN Cn1c(Sc2ccc(Sc3nnc(-c4ccco4)n3C)nn2)nnc1-c1ccco1 ZINC000040546064 556644628 /nfs/dbraw/zinc/64/46/28/556644628.db2.gz AFLIALLVJDUUTG-UHFFFAOYSA-N 0 0 438.498 3.556 50 0 IHAARN Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000038487314 556648566 /nfs/dbraw/zinc/64/85/66/556648566.db2.gz SZISEXHLJAOMCE-UHFFFAOYSA-N 0 0 438.487 3.927 50 0 IHAARN CC1CCN(C(=O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 ZINC000016902588 556648811 /nfs/dbraw/zinc/64/88/11/556648811.db2.gz ZCHCTMBULVAMOO-HXUWFJFHSA-N 0 0 448.542 3.950 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)cc1OC ZINC000011739386 556649288 /nfs/dbraw/zinc/64/92/88/556649288.db2.gz DUESTHXFSKHBQX-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751593 556650959 /nfs/dbraw/zinc/65/09/59/556650959.db2.gz OHYNDKIZHSBADB-SFHVURJKSA-N 0 0 429.473 3.600 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1ccc(F)cc1 ZINC000011758442 556652733 /nfs/dbraw/zinc/65/27/33/556652733.db2.gz QVVGNMQNCAKMPK-NRFANRHFSA-N 0 0 438.480 3.716 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N3CCc4ccccc43)c(=O)c12 ZINC000032999219 556652964 /nfs/dbraw/zinc/65/29/64/556652964.db2.gz QVEOSHSPHRKOKX-UHFFFAOYSA-N 0 0 430.483 3.923 50 0 IHAARN COc1cccc(CN(C)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)c1 ZINC000032999571 556652999 /nfs/dbraw/zinc/65/29/99/556652999.db2.gz MILMJKKEVAGRPA-UHFFFAOYSA-N 0 0 444.487 3.778 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000032999595 556653162 /nfs/dbraw/zinc/65/31/62/556653162.db2.gz AEESKOKYBMRQCO-UHFFFAOYSA-N 0 0 449.507 3.895 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000248011225 556655640 /nfs/dbraw/zinc/65/56/40/556655640.db2.gz IUMXSXITUXCGOX-VQTJNVASSA-N 0 0 430.595 3.892 50 0 IHAARN CCS(=O)(=O)NC1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)CC1 ZINC000032926890 556655726 /nfs/dbraw/zinc/65/57/26/556655726.db2.gz OEVNMDNBLLOCBB-UHFFFAOYSA-N 0 0 438.619 3.531 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCc1ccc(F)cc1Cl ZINC000033011990 556660508 /nfs/dbraw/zinc/66/05/08/556660508.db2.gz FMUKJCRRLNBXCA-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN O=C(NCc1ccco1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033018834 556665566 /nfs/dbraw/zinc/66/55/66/556665566.db2.gz YQMHKAUSRLXNJO-QHCPKHFHSA-N 0 0 434.517 3.639 50 0 IHAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000013514654 556667337 /nfs/dbraw/zinc/66/73/37/556667337.db2.gz NGQIWOQSIPCXNH-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000044803399 556667730 /nfs/dbraw/zinc/66/77/30/556667730.db2.gz ISCMSUUEBPXXOV-UHFFFAOYSA-N 0 0 443.613 3.792 50 0 IHAARN Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4c[nH]c5ccccc45)c3)cc21 ZINC000073331058 556669018 /nfs/dbraw/zinc/66/90/18/556669018.db2.gz GMYZNTFCTZUZKI-UHFFFAOYSA-N 0 0 425.492 3.773 50 0 IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000017134402 556669081 /nfs/dbraw/zinc/66/90/81/556669081.db2.gz JDVVKQXLICKDMU-UZLBHIALSA-N 0 0 440.565 3.726 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CC1 ZINC000017169399 556671427 /nfs/dbraw/zinc/67/14/27/556671427.db2.gz AVGYLWAMQVJFPN-UHFFFAOYSA-N 0 0 434.492 3.519 50 0 IHAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011913833 556672741 /nfs/dbraw/zinc/67/27/41/556672741.db2.gz CUPBQKNYJZVQCH-CYBMUJFWSA-N 0 0 432.723 3.525 50 0 IHAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc5c(c4)OCO5)n3)cc21 ZINC000011969178 556677611 /nfs/dbraw/zinc/67/76/11/556677611.db2.gz KBVVTGRGECDQSI-UHFFFAOYSA-N 0 0 437.477 3.927 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nc(C)no2)ccc1Cl ZINC000032936627 556678789 /nfs/dbraw/zinc/67/87/89/556678789.db2.gz XSIXVZUYJAJWLT-UHFFFAOYSA-N 0 0 448.932 3.981 50 0 IHAARN O=C(COc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2o1)NC[C@@H]1CCCO1 ZINC000032937030 556678971 /nfs/dbraw/zinc/67/89/71/556678971.db2.gz JVPKFBJSDGYVLO-SFHVURJKSA-N 0 0 442.899 3.690 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000248330417 556680153 /nfs/dbraw/zinc/68/01/53/556680153.db2.gz FSXFFARJUOASMZ-WIRVKHDMSA-N 0 0 425.916 3.927 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 ZINC000017988327 556681167 /nfs/dbraw/zinc/68/11/67/556681167.db2.gz NTYHAIHECWWSLF-IPHXSNPTSA-N 0 0 435.476 3.661 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000010629812 556683066 /nfs/dbraw/zinc/68/30/66/556683066.db2.gz GLNJYPMXYLKFGH-OAHLLOKOSA-N 0 0 436.331 3.860 50 0 IHAARN Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000024144576 556685644 /nfs/dbraw/zinc/68/56/44/556685644.db2.gz WQQHAJIZKFKPFG-HXUWFJFHSA-N 0 0 448.592 3.972 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097654835 556685971 /nfs/dbraw/zinc/68/59/71/556685971.db2.gz DTDQMXJCPCBDIX-XMHGGMMESA-N 0 0 440.419 3.725 50 0 IHAARN COc1ccc(-c2csc(NC(=O)[C@@H](Sc3nnnn3C)c3ccccc3)n2)cc1 ZINC000252489118 556690289 /nfs/dbraw/zinc/69/02/89/556690289.db2.gz JFYKEVQZOUBADK-KRWDZBQOSA-N 0 0 438.538 3.814 50 0 IHAARN COC(=O)[C@H]1CCc2c(I)n(CCCc3cccc(F)c3)nc2C1 ZINC000252490515 556690604 /nfs/dbraw/zinc/69/06/04/556690604.db2.gz KVYDTFIFBBIGGB-ZDUSSCGKSA-N 0 0 442.272 3.538 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NCc3ccccc3)CC2)c1C ZINC000033024094 556694463 /nfs/dbraw/zinc/69/44/63/556694463.db2.gz VUXQICKKFNCXRA-MRXNPFEDSA-N 0 0 439.556 3.613 50 0 IHAARN COc1cc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)cc(OC)c1 ZINC000033025672 556701187 /nfs/dbraw/zinc/70/11/87/556701187.db2.gz IVXPPYGPOGWQEH-UHFFFAOYSA-N 0 0 432.484 3.722 50 0 IHAARN COc1ccc(-c2cc3ccc(OCCN4C[C@@H](C)O[C@H](C)C4)cc3oc2=O)cc1OC ZINC000013608081 556702876 /nfs/dbraw/zinc/70/28/76/556702876.db2.gz JHPNABKDGOFUMU-IAGOWNOFSA-N 0 0 439.508 3.965 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033027663 556707504 /nfs/dbraw/zinc/70/75/04/556707504.db2.gz UCLSROCGBJFOEY-UHFFFAOYSA-N 0 0 426.473 3.745 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1Cl ZINC000013696628 556712508 /nfs/dbraw/zinc/71/25/08/556712508.db2.gz XKPFKMRWAJBGEW-UHFFFAOYSA-N 0 0 432.885 3.945 50 0 IHAARN O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C2CCC2)s1 ZINC000061717779 556723983 /nfs/dbraw/zinc/72/39/83/556723983.db2.gz NLUIYNNCHFRTQA-UHFFFAOYSA-N 0 0 433.965 3.527 50 0 IHAARN COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4nnc(C5CCC5)s4)cc3C2=O)cc1 ZINC000061720293 556727705 /nfs/dbraw/zinc/72/77/05/556727705.db2.gz IIFCDKXPTRINJV-UHFFFAOYSA-N 0 0 448.504 3.863 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 ZINC000019296753 556734531 /nfs/dbraw/zinc/73/45/31/556734531.db2.gz USSPFKVDEFFJCK-RCZVLFRGSA-N 0 0 445.544 3.656 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4cccn4C)CC3)sc12 ZINC000065300448 556735695 /nfs/dbraw/zinc/73/56/95/556735695.db2.gz QRUXIBGDWSPPAW-UHFFFAOYSA-N 0 0 434.569 3.790 50 0 IHAARN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000078988827 556736486 /nfs/dbraw/zinc/73/64/86/556736486.db2.gz HRMFKHOGRJSIJK-KBPBESRZSA-N 0 0 429.991 3.775 50 0 IHAARN CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H](O)c1ccccc1F ZINC000078994774 556737011 /nfs/dbraw/zinc/73/70/11/556737011.db2.gz YVSBCHPIIDHMSB-NFBKMPQASA-N 0 0 427.472 3.810 50 0 IHAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCc1ccccc1OC(F)(F)F ZINC000055211120 556737691 /nfs/dbraw/zinc/73/76/91/556737691.db2.gz LPEKJJFHKOPARE-UHFFFAOYSA-N 0 0 426.826 3.878 50 0 IHAARN Cc1ccccc1OCCCN(C)C(=O)c1cccn2c(I)cnc12 ZINC000079021779 556737755 /nfs/dbraw/zinc/73/77/55/556737755.db2.gz ADYNYBAHFMVBCP-UHFFFAOYSA-N 0 0 449.292 3.788 50 0 IHAARN O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCC[C@H]1c1ccccn1 ZINC000055569000 556742545 /nfs/dbraw/zinc/74/25/45/556742545.db2.gz DIKUMDGKCLEUDG-QHCPKHFHSA-N 0 0 449.530 3.898 50 0 IHAARN CCN(CC)c1ccc(-c2nnc(SCc3cc(=O)n4nc(C)sc4n3)o2)cc1 ZINC000057978273 556750133 /nfs/dbraw/zinc/75/01/33/556750133.db2.gz KVPYKRGGUCKTEN-UHFFFAOYSA-N 0 0 428.543 3.648 50 0 IHAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(-c2ccccc2)oc1C ZINC000058156738 556762711 /nfs/dbraw/zinc/76/27/11/556762711.db2.gz WJKMAQJCWFJGLH-HSZRJFAPSA-N 0 0 430.508 3.537 50 0 IHAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000061926936 556762860 /nfs/dbraw/zinc/76/28/60/556762860.db2.gz GASVTSWJGSVING-UHFFFAOYSA-N 0 0 442.485 3.894 50 0 IHAARN CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058159069 556763833 /nfs/dbraw/zinc/76/38/33/556763833.db2.gz MGHMCQSQFHRBKH-INIZCTEOSA-N 0 0 432.362 3.997 50 0 IHAARN COc1ccc(NC(=O)Cn2ccc3ccn(Cc4cccc(C)c4)c3c2=O)cc1OC ZINC000062007343 556765741 /nfs/dbraw/zinc/76/57/41/556765741.db2.gz HIANBTCZNBCKHB-UHFFFAOYSA-N 0 0 431.492 3.816 50 0 IHAARN O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)NCc1ccc(F)cc1F ZINC000062007382 556765745 /nfs/dbraw/zinc/76/57/45/556765745.db2.gz ZJZUOWKCRJEHDR-UHFFFAOYSA-N 0 0 425.410 3.585 50 0 IHAARN CN(CC(=O)Nc1cccc(Cl)c1Sc1ccccn1)S(=O)(=O)c1cccnc1 ZINC000058162915 556766230 /nfs/dbraw/zinc/76/62/30/556766230.db2.gz ZMJRCJRDQQVVLT-UHFFFAOYSA-N 0 0 448.957 3.540 50 0 IHAARN COc1ccc([C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 ZINC000058203121 556771722 /nfs/dbraw/zinc/77/17/22/556771722.db2.gz AHBLLUMPCJMJII-QHCPKHFHSA-N 0 0 438.549 3.699 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 ZINC000058217160 556772925 /nfs/dbraw/zinc/77/29/25/556772925.db2.gz WZSUWSHNYUHMRI-JXXFODFXSA-N 0 0 449.598 3.915 50 0 IHAARN COc1ccc2oc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c(C)c2c1 ZINC000058223018 556773513 /nfs/dbraw/zinc/77/35/13/556773513.db2.gz HEUAFZPALFOCLM-UHFFFAOYSA-N 0 0 448.475 3.816 50 0 IHAARN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000058246507 556775315 /nfs/dbraw/zinc/77/53/15/556775315.db2.gz BUXSEEQTUKJSOJ-LSDHHAIUSA-N 0 0 448.614 3.543 50 0 IHAARN Cc1nnc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1C ZINC000058292711 556778002 /nfs/dbraw/zinc/77/80/02/556778002.db2.gz HFOJLRKBKWEMHS-MRXNPFEDSA-N 0 0 444.866 3.864 50 0 IHAARN COc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2C)cc(OC)c1OC ZINC000058297971 556778329 /nfs/dbraw/zinc/77/83/29/556778329.db2.gz DIAYCZUNFOBKLG-UHFFFAOYSA-N 0 0 431.558 3.896 50 0 IHAARN COc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000058305320 556779106 /nfs/dbraw/zinc/77/91/06/556779106.db2.gz STDIQSLQFSQGED-UHFFFAOYSA-N 0 0 442.331 3.657 50 0 IHAARN CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000058310858 556779762 /nfs/dbraw/zinc/77/97/62/556779762.db2.gz OGSGXDVJXRJXAD-GOSISDBHSA-N 0 0 435.307 3.897 50 0 IHAARN O=C(Cn1ccc2cc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)ccc21)N1CCOCC1 ZINC000058327088 556781073 /nfs/dbraw/zinc/78/10/73/556781073.db2.gz MAOKIWLPJIKYSQ-HSZRJFAPSA-N 0 0 446.551 3.739 50 0 IHAARN O=C(Nc1cccnc1N1CCOCC1)c1cc(Br)c(Br)s1 ZINC000058366959 556783074 /nfs/dbraw/zinc/78/30/74/556783074.db2.gz GERVQWRRXLPJMN-UHFFFAOYSA-N 0 0 447.152 3.757 50 0 IHAARN O=C(NCCc1cccc(F)c1)C(Cc1ccccc1)C(=O)NCCc1cccc(F)c1 ZINC000058438826 556788782 /nfs/dbraw/zinc/78/87/82/556788782.db2.gz LSNFLBNANHIODP-UHFFFAOYSA-N 0 0 436.502 3.841 50 0 IHAARN COCc1cccc(CNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1 ZINC000058970333 556793398 /nfs/dbraw/zinc/79/33/98/556793398.db2.gz AAVCFLZMKZWZQP-UHFFFAOYSA-N 0 0 431.414 3.636 50 0 IHAARN COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000001513009 556797491 /nfs/dbraw/zinc/79/74/91/556797491.db2.gz UFYUMBAINVYGKF-UHFFFAOYSA-N 0 0 443.550 3.856 50 0 IHAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000059333468 556798236 /nfs/dbraw/zinc/79/82/36/556798236.db2.gz QQQZHTMTVYYTBQ-UHFFFAOYSA-N 0 0 442.519 3.972 50 0 IHAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000002147309 556798972 /nfs/dbraw/zinc/79/89/72/556798972.db2.gz PGEPMAKQHFTJEB-HXUWFJFHSA-N 0 0 443.521 3.771 50 0 biogenic IHAARN Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccccc1 ZINC000072400913 556799472 /nfs/dbraw/zinc/79/94/72/556799472.db2.gz JOJWHOQIAZGAMB-OWMRDYPQSA-N 0 0 430.555 3.752 50 0 IHAARN C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2nc1SCC(=O)NCc1ccccc1 ZINC000033050327 556799496 /nfs/dbraw/zinc/79/94/96/556799496.db2.gz WPRGNFYIIDWNJE-GOSISDBHSA-N 0 0 436.581 3.846 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1cccc(F)c1 ZINC000072400812 556801246 /nfs/dbraw/zinc/80/12/46/556801246.db2.gz JTYAHEHMLVKXBE-MBBOSUJBSA-N 0 0 434.518 3.717 50 0 IHAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401975 556801995 /nfs/dbraw/zinc/80/19/95/556801995.db2.gz XZEKDILIYOACTD-VGOFRKELSA-N 0 0 444.535 3.655 50 0 IHAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c(OC)c1 ZINC000003283123 556808538 /nfs/dbraw/zinc/80/85/38/556808538.db2.gz PCZYRHNLPWIPAY-MFUYTVRRSA-N 0 0 427.497 3.740 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2csc(-c3ccccn3)n2)c1 ZINC000011203131 556810114 /nfs/dbraw/zinc/81/01/14/556810114.db2.gz XHJGAMZNQNFMIW-UHFFFAOYSA-N 0 0 445.566 3.901 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061718114 556811003 /nfs/dbraw/zinc/81/10/03/556811003.db2.gz TYVRHOICFQMFLM-UHFFFAOYSA-N 0 0 446.942 3.978 50 0 IHAARN COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000061943405 556812320 /nfs/dbraw/zinc/81/23/20/556812320.db2.gz JAFPTAFFZAONQY-UHFFFAOYSA-N 0 0 434.540 3.640 50 0 IHAARN CN(c1ccc(OCC(=O)NCCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000003414355 556814914 /nfs/dbraw/zinc/81/49/14/556814914.db2.gz HRQTXAPHQFUUDL-UHFFFAOYSA-N 0 0 438.549 3.640 50 0 IHAARN O=C(OCc1c(F)cccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003377540 556816356 /nfs/dbraw/zinc/81/63/56/556816356.db2.gz WAYFRKCTMXSDCU-UHFFFAOYSA-N 0 0 448.299 3.510 50 0 IHAARN O=C(COC(=O)c1ccccc1OCCOc1ccccc1)N1CCc2ccccc2C1 ZINC000003478081 556816600 /nfs/dbraw/zinc/81/66/00/556816600.db2.gz LKNYZCKCCMBSCJ-UHFFFAOYSA-N 0 0 431.488 3.886 50 0 IHAARN COc1ccc(Br)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000003549768 556817419 /nfs/dbraw/zinc/81/74/19/556817419.db2.gz JLHFKDZOKWTKNX-UHFFFAOYSA-N 0 0 441.328 3.723 50 0 IHAARN O=S(=O)(NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1)c1cccc2nsnc21 ZINC000033062506 556818218 /nfs/dbraw/zinc/81/82/18/556818218.db2.gz DNFYSZVCCLGGDM-MRXNPFEDSA-N 0 0 435.534 3.678 50 0 IHAARN O=C(NC1CCCC1)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063388 556818725 /nfs/dbraw/zinc/81/87/25/556818725.db2.gz JMUJPXOUNKIUQS-GOSISDBHSA-N 0 0 439.459 3.780 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033068123 556820616 /nfs/dbraw/zinc/82/06/16/556820616.db2.gz TWNHUQGXNGNNQA-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN CCN(C(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000005572414 556826696 /nfs/dbraw/zinc/82/66/96/556826696.db2.gz DHZPCPKYZORXQO-KRWDZBQOSA-N 0 0 426.488 3.663 50 0 IHAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000064816779 556827562 /nfs/dbraw/zinc/82/75/62/556827562.db2.gz PXALIQNKJPJJFL-UHFFFAOYSA-N 0 0 430.508 3.732 50 0 IHAARN COc1ccc(SCc2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 ZINC000019596971 556831029 /nfs/dbraw/zinc/83/10/29/556831029.db2.gz UMSKOHLPVBPRHO-UHFFFAOYSA-N 0 0 428.583 3.994 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)cc1 ZINC000065002823 556831068 /nfs/dbraw/zinc/83/10/68/556831068.db2.gz SUEQOFBHRZAMGE-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000065003262 556831472 /nfs/dbraw/zinc/83/14/72/556831472.db2.gz VHIGAFRQXHGMAQ-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000019626281 556831897 /nfs/dbraw/zinc/83/18/97/556831897.db2.gz LGUNFTDEMFMAGT-UHFFFAOYSA-N 0 0 425.510 3.623 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1NC(=O)c1cnccn1 ZINC000019631637 556832563 /nfs/dbraw/zinc/83/25/63/556832563.db2.gz HIDNWLLYEYUSEL-UHFFFAOYSA-N 0 0 440.481 3.536 50 0 IHAARN CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3F)CC2)c2cc3c(cc21)OCO3 ZINC000334160349 556837550 /nfs/dbraw/zinc/83/75/50/556837550.db2.gz BNLWVSSLQCCHAR-UHFFFAOYSA-N 0 0 437.515 3.905 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCC2 ZINC000072405657 556840576 /nfs/dbraw/zinc/84/05/76/556840576.db2.gz DHRJSAIXFZICFJ-IBGZPJMESA-N 0 0 425.554 3.769 50 0 IHAARN COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)c1 ZINC000022998577 556841023 /nfs/dbraw/zinc/84/10/23/556841023.db2.gz KCCCBYJLUWKMEJ-UHFFFAOYSA-N 0 0 433.480 3.562 50 0 IHAARN COc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000008703873 556842664 /nfs/dbraw/zinc/84/26/64/556842664.db2.gz OBJRQJUFYGJIEG-UHFFFAOYSA-N 0 0 432.542 3.748 50 0 IHAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3n[nH]c(C)c3Br)nn21 ZINC000072406279 556842671 /nfs/dbraw/zinc/84/26/71/556842671.db2.gz LRNTYLAYMIKNTH-UHFFFAOYSA-N 0 0 425.699 3.976 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000008719028 556842871 /nfs/dbraw/zinc/84/28/71/556842871.db2.gz INICMGAADQADKF-UHFFFAOYSA-N 0 0 441.435 3.790 50 0 IHAARN COCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O ZINC000008769421 556845960 /nfs/dbraw/zinc/84/59/60/556845960.db2.gz FVFZUPKIIBQKSZ-ZDUSSCGKSA-N 0 0 449.573 3.830 50 0 IHAARN COc1ccc(OC)c(-c2nc(CN3CCN(c4ncc5ccccc5n4)CC3)c(C)o2)c1 ZINC000067868969 556847697 /nfs/dbraw/zinc/84/76/97/556847697.db2.gz ZMHSVMHXZXLIQR-UHFFFAOYSA-N 0 0 445.523 3.933 50 0 IHAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1OC(F)F ZINC000008882251 556850787 /nfs/dbraw/zinc/85/07/87/556850787.db2.gz NBMFXLAGCHSRDN-UHFFFAOYSA-N 0 0 447.221 3.507 50 0 IHAARN CCOc1ccc(CCNC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1OCC ZINC000033073025 556852483 /nfs/dbraw/zinc/85/24/83/556852483.db2.gz KQHKDXRKADGFBV-UHFFFAOYSA-N 0 0 449.551 3.841 50 0 IHAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3Cl)CC2)sc2[nH]cnc(=O)c12 ZINC000033073492 556852687 /nfs/dbraw/zinc/85/26/87/556852687.db2.gz GOAXEYVWKWLTJU-UHFFFAOYSA-N 0 0 444.944 3.746 50 0 IHAARN CC(=O)c1ccc(NC(=O)C2CCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)cc1 ZINC000033073693 556852738 /nfs/dbraw/zinc/85/27/38/556852738.db2.gz IDHHPROMJBCTKS-UHFFFAOYSA-N 0 0 434.540 3.765 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3ccc(OC)c(OC)c3)sc2c1 ZINC000033088172 556855938 /nfs/dbraw/zinc/85/59/38/556855938.db2.gz SZKFVJRAHOQLQV-CQSZACIVSA-N 0 0 436.493 3.982 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3cccc(OC)c3OC)sc2c1 ZINC000033088158 556856027 /nfs/dbraw/zinc/85/60/27/556856027.db2.gz HUFHLUXLQASYKG-CQSZACIVSA-N 0 0 436.493 3.982 50 0 IHAARN COc1cc(OC)c(NC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1Cl ZINC000033106508 556859235 /nfs/dbraw/zinc/85/92/35/556859235.db2.gz BCOYIIICCSWIPR-UHFFFAOYSA-N 0 0 429.908 3.598 50 0 IHAARN COc1cc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc(OC)c1 ZINC000033128070 556865059 /nfs/dbraw/zinc/86/50/59/556865059.db2.gz QZMKSYXUAYGMKO-MRXNPFEDSA-N 0 0 439.537 3.986 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000033124830 556866206 /nfs/dbraw/zinc/86/62/06/556866206.db2.gz CSOQTTFGJGQWEM-OAQYLSRUSA-N 0 0 439.487 3.633 50 0 IHAARN C[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033125003 556866288 /nfs/dbraw/zinc/86/62/88/556866288.db2.gz CZRVWDAPPRZSNC-LBPRGKRZSA-N 0 0 437.349 3.676 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1 ZINC000033125717 556866723 /nfs/dbraw/zinc/86/67/23/556866723.db2.gz VESWWINFCZIHAU-INIZCTEOSA-N 0 0 441.915 3.677 50 0 IHAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CCCN1C(=O)NCCc1ccccc1 ZINC000033129860 556869478 /nfs/dbraw/zinc/86/94/78/556869478.db2.gz RTFVVNAXBMXNQX-GOSISDBHSA-N 0 0 440.594 3.905 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000019720718 556876278 /nfs/dbraw/zinc/87/62/78/556876278.db2.gz CVEFCAHCRMJDQG-OAQYLSRUSA-N 0 0 427.932 3.583 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)C2CCCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019731292 556876752 /nfs/dbraw/zinc/87/67/52/556876752.db2.gz JDJKEKQJEYWKRJ-HSZRJFAPSA-N 0 0 425.617 3.930 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccccc2F)cc1 ZINC000033141762 556877959 /nfs/dbraw/zinc/87/79/59/556877959.db2.gz MLZXOOYAEQRZEV-UHFFFAOYSA-N 0 0 434.514 3.651 50 0 IHAARN CCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033141711 556878010 /nfs/dbraw/zinc/87/80/10/556878010.db2.gz MGAGCWAFUJSCOY-UHFFFAOYSA-N 0 0 430.551 3.902 50 0 IHAARN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000071385082 556880423 /nfs/dbraw/zinc/88/04/23/556880423.db2.gz TXIGVHBBRQSEOC-UHFFFAOYSA-N 0 0 426.432 3.921 50 0 IHAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)N1CCN(c2ccc(F)cc2)CC1 ZINC000033172656 556883105 /nfs/dbraw/zinc/88/31/05/556883105.db2.gz WMEOUKZLSCPZCO-UHFFFAOYSA-N 0 0 439.491 3.830 50 0 IHAARN COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCc2c[nH]c4ccccc24)C3)nn1 ZINC000019743764 556888761 /nfs/dbraw/zinc/88/87/61/556888761.db2.gz PAHHOKKZLXQXRL-GOSISDBHSA-N 0 0 446.482 3.825 50 0 IHAARN O=C(c1cnc2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)N1CCSCC1 ZINC000033249273 556889005 /nfs/dbraw/zinc/88/90/05/556889005.db2.gz SWSAKFRSBGODRY-UHFFFAOYSA-N 0 0 432.954 3.910 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1F ZINC000033249403 556889198 /nfs/dbraw/zinc/88/91/98/556889198.db2.gz QWXHPJDNTSYDFJ-UHFFFAOYSA-N 0 0 430.526 3.704 50 0 IHAARN COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cn(C)c4ccccc4c3=O)C2)cc1C ZINC000019745871 556892006 /nfs/dbraw/zinc/89/20/06/556892006.db2.gz UHXXDMVMRRGUAI-SFHVURJKSA-N 0 0 432.520 3.899 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)cc2)no1 ZINC000033258190 556895686 /nfs/dbraw/zinc/89/56/86/556895686.db2.gz MWUVNNCHZHLPBL-UHFFFAOYSA-N 0 0 437.500 3.670 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)cc2)no1 ZINC000033258344 556896159 /nfs/dbraw/zinc/89/61/59/556896159.db2.gz DTLCWLBEOYCUAQ-UHFFFAOYSA-N 0 0 449.511 3.985 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000033262246 556901843 /nfs/dbraw/zinc/90/18/43/556901843.db2.gz FQISYDSXXKQGJT-KRWDZBQOSA-N 0 0 442.541 3.833 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000019819098 556921645 /nfs/dbraw/zinc/92/16/45/556921645.db2.gz HHVBBIFQHZYEHH-IBGZPJMESA-N 0 0 440.883 3.981 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1OC ZINC000019819107 556922045 /nfs/dbraw/zinc/92/20/45/556922045.db2.gz IKIHEXDATHLESH-UHFFFAOYSA-N 0 0 431.492 3.873 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 ZINC000019819358 556922500 /nfs/dbraw/zinc/92/25/00/556922500.db2.gz AUJMNGNVMKBGJM-UHFFFAOYSA-N 0 0 437.521 3.873 50 0 IHAARN CC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 ZINC000019830901 556926202 /nfs/dbraw/zinc/92/62/02/556926202.db2.gz DNUXKKBNDCSYOH-AWEZNQCLSA-N 0 0 430.140 3.575 50 0 IHAARN CCOc1cc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)ccc1OC ZINC000019831706 556926729 /nfs/dbraw/zinc/92/67/29/556926729.db2.gz VLSUKXOHKMYFDH-UHFFFAOYSA-N 0 0 434.536 3.970 50 0 IHAARN O=C(Cc1ccc2c(c1)OCO2)NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019852880 556930867 /nfs/dbraw/zinc/93/08/67/556930867.db2.gz KPZTXHMMFMZCHP-VWLOTQADSA-N 0 0 448.494 3.849 50 0 IHAARN Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868798 556935358 /nfs/dbraw/zinc/93/53/58/556935358.db2.gz GCXQSUWNNUQOCN-KRWDZBQOSA-N 0 0 438.640 3.507 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000019868642 556935393 /nfs/dbraw/zinc/93/53/93/556935393.db2.gz CXPHWYVNADQXOQ-HNNXBMFYSA-N 0 0 438.952 3.898 50 0 IHAARN CCOC(=O)N1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000019880815 556936937 /nfs/dbraw/zinc/93/69/37/556936937.db2.gz RNHJIBCQKIKVSL-UHFFFAOYSA-N 0 0 431.558 3.900 50 0 IHAARN Cc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000019908953 556942882 /nfs/dbraw/zinc/94/28/82/556942882.db2.gz MVWWYUZPHVDEHS-XMMPIXPASA-N 0 0 430.548 3.788 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1/C=C\c1ccccc1 ZINC000019912870 556943610 /nfs/dbraw/zinc/94/36/10/556943610.db2.gz MIRIQQBJBUKFJZ-ATRCTELGSA-N 0 0 448.519 3.603 50 0 IHAARN CCOC(=O)[C@](NCCc1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000019938841 556952977 /nfs/dbraw/zinc/95/29/77/556952977.db2.gz QBVAMSQCACEPOM-IBGZPJMESA-N 0 0 428.838 3.724 50 0 IHAARN CC(C)COc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019939913 556953375 /nfs/dbraw/zinc/95/33/75/556953375.db2.gz KMPUUKZNTORJGT-UHFFFAOYSA-N 0 0 428.558 3.962 50 0 IHAARN CCN(CC)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019973697 556956336 /nfs/dbraw/zinc/95/63/36/556956336.db2.gz PGPCRESUEUSBQJ-UHFFFAOYSA-N 0 0 427.574 3.774 50 0 IHAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000020009686 556959869 /nfs/dbraw/zinc/95/98/69/556959869.db2.gz NGMPNHMBIGJGQI-UHFFFAOYSA-N 0 0 427.464 3.858 50 0 IHAARN CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1 ZINC000072434292 556972466 /nfs/dbraw/zinc/97/24/66/556972466.db2.gz NUUCULWSNWAZKQ-UHFFFAOYSA-N 0 0 435.557 4.000 50 0 IHAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3cccc(Br)c3)c2)C1 ZINC000033264557 556973976 /nfs/dbraw/zinc/97/39/76/556973976.db2.gz NBPGOVOBCVGDDQ-GOSISDBHSA-N 0 0 430.346 3.898 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1C ZINC000033264856 556974889 /nfs/dbraw/zinc/97/48/89/556974889.db2.gz SNRYOWZLMJSJJI-UHFFFAOYSA-N 0 0 431.540 3.820 50 0 IHAARN COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CN3CCOCC3)sc2C)cc1 ZINC000020058122 556975299 /nfs/dbraw/zinc/97/52/99/556975299.db2.gz ZREQFWGJCNSSJL-UHFFFAOYSA-N 0 0 437.565 3.993 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)c1 ZINC000033265293 556975333 /nfs/dbraw/zinc/97/53/33/556975333.db2.gz AMTCPCDTXABAEE-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN COc1cc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086305 556979028 /nfs/dbraw/zinc/97/90/28/556979028.db2.gz MTNXHJJSJKWCHO-NRFANRHFSA-N 0 0 447.491 3.883 50 0 IHAARN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C2CC2)cc1 ZINC000011234575 556979176 /nfs/dbraw/zinc/97/91/76/556979176.db2.gz RNHUEVDOKHPVOC-QFIPXVFZSA-N 0 0 430.545 3.802 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000097112528 556989529 /nfs/dbraw/zinc/98/95/29/556989529.db2.gz PXJOXZVPJZDJBQ-FQEVSTJZSA-N 0 0 448.548 3.884 50 0 IHAARN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000097159651 556993206 /nfs/dbraw/zinc/99/32/06/556993206.db2.gz RFFBWMSLAVFXSL-FQEVSTJZSA-N 0 0 445.357 3.977 50 0 IHAARN CSc1ccc(S(=O)(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1 ZINC000097162126 556993838 /nfs/dbraw/zinc/99/38/38/556993838.db2.gz WYFRBDMQMCZMEK-OAHLLOKOSA-N 0 0 428.461 3.613 50 0 IHAARN Cc1ccc(F)c(N2CCC(NS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1 ZINC000097163892 556994258 /nfs/dbraw/zinc/99/42/58/556994258.db2.gz JREROLLJZYQJGN-UHFFFAOYSA-N 0 0 432.439 3.980 50 0 IHAARN CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2c1 ZINC000020177540 556995701 /nfs/dbraw/zinc/99/57/01/556995701.db2.gz JJZRLHDRLQOUHX-UHFFFAOYSA-N 0 0 449.551 3.565 50 0 IHAARN Cc1ccc(OCc2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)no2)cn1 ZINC000020205923 556998200 /nfs/dbraw/zinc/99/82/00/556998200.db2.gz NXYVVEXRYMEMHO-UHFFFAOYSA-N 0 0 426.904 3.568 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000011243524 556998402 /nfs/dbraw/zinc/99/84/02/556998402.db2.gz ILOZCGWVCGNQKU-UHFFFAOYSA-N 0 0 441.480 3.502 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)c2c1 ZINC000020213149 556998898 /nfs/dbraw/zinc/99/88/98/556998898.db2.gz RMJOESYRLXWRKA-UHFFFAOYSA-N 0 0 439.943 3.765 50 0 IHAARN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023107616 557002199 /nfs/dbraw/zinc/00/21/99/557002199.db2.gz OPJHZSHJZGUPQN-QHCPKHFHSA-N 0 0 449.576 3.690 50 0 IHAARN Cc1cc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)ccc1Cl ZINC000023114879 557005568 /nfs/dbraw/zinc/00/55/68/557005568.db2.gz UNLYHJWQLGLMRE-GOSISDBHSA-N 0 0 438.959 3.851 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)c3=O)c2c1 ZINC000023125629 557007370 /nfs/dbraw/zinc/00/73/70/557007370.db2.gz YZZHZFLJHCEBBL-UHFFFAOYSA-N 0 0 443.551 3.542 50 0 IHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000020356827 557010842 /nfs/dbraw/zinc/01/08/42/557010842.db2.gz IVHRGQSNZBFROH-FVNWOWOISA-N 0 0 449.598 3.628 50 0 IHAARN O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)N[C@@H](CO)c1ccccc1 ZINC000020426585 557015572 /nfs/dbraw/zinc/01/55/72/557015572.db2.gz PJPONRZORNRABH-QFIPXVFZSA-N 0 0 433.435 3.828 50 0 IHAARN Cc1nn(CCC(=O)Nc2cccc(C)c2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000046004400 557019129 /nfs/dbraw/zinc/01/91/29/557019129.db2.gz RDPXPDCSSZAMDK-UHFFFAOYSA-N 0 0 432.590 3.566 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1ccc3c(c1)OCO3)nnc2C ZINC000023137848 557019664 /nfs/dbraw/zinc/01/96/64/557019664.db2.gz SEXKDZQIQUMDHH-UHFFFAOYSA-N 0 0 449.492 3.592 50 0 IHAARN CCCNC(=O)Cn1nc2c(c1NC(=O)c1c(OCC)ccc3ccccc31)CSC2 ZINC000023138849 557022290 /nfs/dbraw/zinc/02/22/90/557022290.db2.gz QEAYZLNPBJPECB-UHFFFAOYSA-N 0 0 438.553 3.960 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1cccc(Cl)c1)CSC2)NCCc1ccccc1 ZINC000023139698 557022407 /nfs/dbraw/zinc/02/24/07/557022407.db2.gz MZYDHPSAXILAMP-UHFFFAOYSA-N 0 0 440.956 3.895 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000023140139 557022718 /nfs/dbraw/zinc/02/27/18/557022718.db2.gz MKIOPVHMDXGNSM-UHFFFAOYSA-N 0 0 426.567 3.848 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccc(F)cc1F ZINC000046027320 557023402 /nfs/dbraw/zinc/02/34/02/557023402.db2.gz BWWRFERFGWLGSW-UHFFFAOYSA-N 0 0 447.441 3.848 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000046027459 557023508 /nfs/dbraw/zinc/02/35/08/557023508.db2.gz ZXUMUCJDQNJSSP-KRWDZBQOSA-N 0 0 449.576 3.774 50 0 IHAARN COc1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)ccc2c1 ZINC000010748399 557024006 /nfs/dbraw/zinc/02/40/06/557024006.db2.gz FEOVXQUHVADKMA-UHFFFAOYSA-N 0 0 426.538 3.606 50 0 IHAARN COCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032228 557024697 /nfs/dbraw/zinc/02/46/97/557024697.db2.gz GZZUIXORLBGOND-UHFFFAOYSA-N 0 0 430.549 3.986 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 ZINC000023142742 557025083 /nfs/dbraw/zinc/02/50/83/557025083.db2.gz SFKVUJVXEUMBOQ-KRWDZBQOSA-N 0 0 435.915 3.751 50 0 IHAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)CC2)c1 ZINC000046043780 557025134 /nfs/dbraw/zinc/02/51/34/557025134.db2.gz YJSIVFWPOIDEIH-IBGZPJMESA-N 0 0 441.959 3.550 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000046044602 557025470 /nfs/dbraw/zinc/02/54/70/557025470.db2.gz PYRNHPKWHWGPRT-CQSZACIVSA-N 0 0 449.320 3.765 50 0 IHAARN Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 ZINC000023143731 557025497 /nfs/dbraw/zinc/02/54/97/557025497.db2.gz LGVRDLRAHMKRFZ-HNNXBMFYSA-N 0 0 443.459 3.829 50 0 IHAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)COc4ccc(F)cc4)cc3c2=O)cc1 ZINC000023143826 557025650 /nfs/dbraw/zinc/02/56/50/557025650.db2.gz ZGHIMMUJISFBFF-UHFFFAOYSA-N 0 0 433.439 3.859 50 0 IHAARN COC(=O)c1cccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c1 ZINC000046046797 557027788 /nfs/dbraw/zinc/02/77/88/557027788.db2.gz HGVVYINQWAUCTO-UHFFFAOYSA-N 0 0 429.480 3.628 50 0 IHAARN COC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000023157169 557029734 /nfs/dbraw/zinc/02/97/34/557029734.db2.gz YGBXKVLYBFGXJE-GOSISDBHSA-N 0 0 428.558 3.903 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074555 557030615 /nfs/dbraw/zinc/03/06/15/557030615.db2.gz SEOUKMXJDOVIAJ-OAHLLOKOSA-N 0 0 440.912 3.780 50 0 IHAARN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000046074592 557030703 /nfs/dbraw/zinc/03/07/03/557030703.db2.gz QDOVYGWRSQMESB-MRXNPFEDSA-N 0 0 434.521 3.689 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000046075079 557031467 /nfs/dbraw/zinc/03/14/67/557031467.db2.gz ZMBMLVDQXYMZST-HNNXBMFYSA-N 0 0 440.912 3.780 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2CCOc3ccc(C)cc32)cc(OCC)c1OCC ZINC000051356503 557031506 /nfs/dbraw/zinc/03/15/06/557031506.db2.gz NXWKNEFVMUIILN-UHFFFAOYSA-N 0 0 443.496 3.774 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)c(C)c1 ZINC000046075492 557031968 /nfs/dbraw/zinc/03/19/68/557031968.db2.gz QPLCGGFQDLWRJV-KRWDZBQOSA-N 0 0 448.548 3.786 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OCC(N)=O ZINC000046076658 557032770 /nfs/dbraw/zinc/03/27/70/557032770.db2.gz KJGOHTLLDQDMQI-AWEZNQCLSA-N 0 0 426.469 3.901 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)cc(NC(=O)C(C)C)c2=O)cc1 ZINC000046079372 557034359 /nfs/dbraw/zinc/03/43/59/557034359.db2.gz XEAUDIBYGASGNT-UHFFFAOYSA-N 0 0 446.507 3.655 50 0 IHAARN O=C(c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1)N1CCC(O)CC1 ZINC000046080010 557035359 /nfs/dbraw/zinc/03/53/59/557035359.db2.gz DDMNSVKZOVSESL-UHFFFAOYSA-N 0 0 427.932 3.769 50 0 IHAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)c(OC)c3)on1)CCCC2 ZINC000046086916 557035937 /nfs/dbraw/zinc/03/59/37/557035937.db2.gz SFRYKDGDZPXDFR-UHFFFAOYSA-N 0 0 441.509 3.911 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)s2)cc1 ZINC000046123109 557036919 /nfs/dbraw/zinc/03/69/19/557036919.db2.gz WSBYJNQPNOSIIO-QGZVFWFLSA-N 0 0 436.537 3.884 50 0 IHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000046123608 557037120 /nfs/dbraw/zinc/03/71/20/557037120.db2.gz HNSIASNYAVXKSC-SJORKVTESA-N 0 0 436.537 3.964 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)N[C@H](C)c2ccccc2C)s1 ZINC000032947320 557041745 /nfs/dbraw/zinc/04/17/45/557041745.db2.gz GYALKZXNYUAOHP-CQSZACIVSA-N 0 0 438.644 3.777 50 0 IHAARN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000017248163 557041974 /nfs/dbraw/zinc/04/19/74/557041974.db2.gz UKJKYEGORVZTLQ-UHFFFAOYSA-N 0 0 429.542 3.771 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 ZINC000017287922 557045275 /nfs/dbraw/zinc/04/52/75/557045275.db2.gz SKZOYDINIMRFRV-UHFFFAOYSA-N 0 0 449.479 3.580 50 0 IHAARN COc1ccccc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C ZINC000048234405 557046151 /nfs/dbraw/zinc/04/61/51/557046151.db2.gz AIEIXTDSTJWVLT-YADARESESA-N 0 0 446.551 3.811 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)c2)cs1 ZINC000023189149 557046648 /nfs/dbraw/zinc/04/66/48/557046648.db2.gz GNAWXFKRLJGSPU-UHFFFAOYSA-N 0 0 442.566 3.553 50 0 IHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000017297405 557047397 /nfs/dbraw/zinc/04/73/97/557047397.db2.gz GZSRFIOYPXYIHZ-UHFFFAOYSA-N 0 0 434.473 3.827 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)cc1C ZINC000033271050 557048545 /nfs/dbraw/zinc/04/85/45/557048545.db2.gz NYIOARJQVWCMBX-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2n[nH]c(-c3cccnc3)n2)no1 ZINC000033271055 557048577 /nfs/dbraw/zinc/04/85/77/557048577.db2.gz UONWDYMHRIPSRI-UHFFFAOYSA-N 0 0 439.476 3.561 50 0 IHAARN O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(Br)cc1Cl ZINC000022932830 557050876 /nfs/dbraw/zinc/05/08/76/557050876.db2.gz JSLCUVDJPGOPFZ-UHFFFAOYSA-N 0 0 428.783 3.920 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(CCN(C)C(=O)Nc3ccc(C)cc3Cl)no2)cc1 ZINC000033273401 557051804 /nfs/dbraw/zinc/05/18/04/557051804.db2.gz RGANCPQSHUPAJC-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN COc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)c1 ZINC000033273633 557052088 /nfs/dbraw/zinc/05/20/88/557052088.db2.gz HUIGITOJXQQTJK-UHFFFAOYSA-N 0 0 448.523 3.686 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000017306587 557052368 /nfs/dbraw/zinc/05/23/68/557052368.db2.gz UKHUTYLRVRVMRV-IAGOWNOFSA-N 0 0 444.553 3.782 50 0 IHAARN CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)c(=O)c1=O ZINC000033272590 557052379 /nfs/dbraw/zinc/05/23/79/557052379.db2.gz VMSCAYUQQSPWPL-UHFFFAOYSA-N 0 0 431.536 3.852 50 0 IHAARN CCOC(=O)c1nc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cs1 ZINC000048253178 557052508 /nfs/dbraw/zinc/05/25/08/557052508.db2.gz ZGCGWIHBAXLCMY-UHFFFAOYSA-N 0 0 434.871 3.709 50 0 IHAARN O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000048290870 557055347 /nfs/dbraw/zinc/05/53/47/557055347.db2.gz HYVOKEJOKZZMNN-UHFFFAOYSA-N 0 0 430.423 3.518 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000048291084 557055775 /nfs/dbraw/zinc/05/57/75/557055775.db2.gz BHFMJPAMZUZNMC-UHFFFAOYSA-N 0 0 442.947 3.835 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000022995179 557056474 /nfs/dbraw/zinc/05/64/74/557056474.db2.gz XDDVNPOSFCNOOI-UHFFFAOYSA-N 0 0 425.920 3.686 50 0 IHAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000048278083 557057060 /nfs/dbraw/zinc/05/70/60/557057060.db2.gz UREYPSGAYCOZBB-LBPRGKRZSA-N 0 0 438.406 3.683 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000023011052 557057138 /nfs/dbraw/zinc/05/71/38/557057138.db2.gz HPSDRXQFIDCMBT-UHFFFAOYSA-N 0 0 445.519 3.789 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)cc1 ZINC000033277334 557059308 /nfs/dbraw/zinc/05/93/08/557059308.db2.gz MBXREMYQRJXRGW-UHFFFAOYSA-N 0 0 446.551 3.572 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(OC)cc2OC)c3=O)cc1 ZINC000033277702 557059458 /nfs/dbraw/zinc/05/94/58/557059458.db2.gz WGLDLXVZNQFALT-UHFFFAOYSA-N 0 0 448.479 3.660 50 0 IHAARN CCc1ccc(CNC(=O)CCn2cnc3c(-c4ccc(CC)cc4)noc3c2=O)cc1 ZINC000033277783 557059835 /nfs/dbraw/zinc/05/98/35/557059835.db2.gz VFRPVQHQJSSISF-UHFFFAOYSA-N 0 0 430.508 3.883 50 0 IHAARN O=C(CCn1cnc2c(-c3ccc(F)cc3)noc2c1=O)NCc1ccc(Cl)cc1 ZINC000033277789 557059928 /nfs/dbraw/zinc/05/99/28/557059928.db2.gz WZFOCEWSOAXOGW-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN COc1cc(Cl)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCSCC2)sc1C ZINC000033278846 557060700 /nfs/dbraw/zinc/06/07/00/557060700.db2.gz ZWBCCRAGFMWSFG-UHFFFAOYSA-N 0 0 447.003 3.708 50 0 IHAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc(OC)cc2OC)c1 ZINC000048312023 557061260 /nfs/dbraw/zinc/06/12/60/557061260.db2.gz FUYYKWIKQNHDJN-UHFFFAOYSA-N 0 0 427.501 3.755 50 0 IHAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000023076232 557061824 /nfs/dbraw/zinc/06/18/24/557061824.db2.gz HNGFAOVWHXBEEO-AWEZNQCLSA-N 0 0 428.510 3.765 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cnc21 ZINC000048300829 557062402 /nfs/dbraw/zinc/06/24/02/557062402.db2.gz PLFDOROETAJRRR-UHFFFAOYSA-N 0 0 439.495 3.969 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)cc1C ZINC000033283849 557063205 /nfs/dbraw/zinc/06/32/05/557063205.db2.gz ZYUGBTWHNWKNTN-UHFFFAOYSA-N 0 0 449.536 3.501 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000023101960 557063436 /nfs/dbraw/zinc/06/34/36/557063436.db2.gz PGMKQOITGYKVLX-UHFFFAOYSA-N 0 0 444.475 3.529 50 0 IHAARN Cc1cccc(Sc2nccnc2SCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000033289057 557066548 /nfs/dbraw/zinc/06/65/48/557066548.db2.gz DISVWAXZVTYKMS-UHFFFAOYSA-N 0 0 437.594 3.772 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000051364627 557067002 /nfs/dbraw/zinc/06/70/02/557067002.db2.gz XTSXLEQNUCZMHJ-UHFFFAOYSA-N 0 0 425.510 3.570 50 0 IHAARN Cc1csc([C@](O)(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 ZINC000048313254 557067300 /nfs/dbraw/zinc/06/73/00/557067300.db2.gz LVGVLAXBFYXFCC-IFXJQAMLSA-N 0 0 442.459 3.726 50 0 IHAARN Cc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000033282269 557067842 /nfs/dbraw/zinc/06/78/42/557067842.db2.gz LGCWDIWVCFEGNE-JOCHJYFZSA-N 0 0 449.576 3.847 50 0 IHAARN Cc1ccccc1NC(=O)N1CCN(CCn2c3ncccc3nc2C(F)(F)F)CC1 ZINC000033281942 557067872 /nfs/dbraw/zinc/06/78/72/557067872.db2.gz PNRWGAKVXMRHIV-UHFFFAOYSA-N 0 0 432.450 3.608 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1C ZINC000033282734 557068099 /nfs/dbraw/zinc/06/80/99/557068099.db2.gz LPTACDFCSVIDOW-UHFFFAOYSA-N 0 0 425.554 3.501 50 0 IHAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000017360346 557069337 /nfs/dbraw/zinc/06/93/37/557069337.db2.gz ISHMZRYVYQLZCB-UHFFFAOYSA-N 0 0 439.537 3.523 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(Cl)cc3)c2N)c(C)o1 ZINC000033291799 557070179 /nfs/dbraw/zinc/07/01/79/557070179.db2.gz NDNUHGVIAJWQLI-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)c(F)c4)C3)n2)cc1 ZINC000033289526 557071315 /nfs/dbraw/zinc/07/13/15/557071315.db2.gz ORQOAIBIYZNEQX-MRXNPFEDSA-N 0 0 426.423 3.993 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)cc1 ZINC000033298317 557074249 /nfs/dbraw/zinc/07/42/49/557074249.db2.gz JOGDJBSPMGRYHJ-UHFFFAOYSA-N 0 0 443.550 3.747 50 0 IHAARN CN1CCCN(C(=O)c2ccc(I)cc2)c2nc3ccccc3nc21 ZINC000017364257 557074353 /nfs/dbraw/zinc/07/43/53/557074353.db2.gz FKNIGYNNUNGWQK-UHFFFAOYSA-N 0 0 444.276 3.721 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)n1 ZINC000023223055 557074471 /nfs/dbraw/zinc/07/44/71/557074471.db2.gz AOZCGMANRNRERE-OAHLLOKOSA-N 0 0 445.522 3.905 50 0 IHAARN CN(Cc1ccccc1F)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010886571 557074529 /nfs/dbraw/zinc/07/45/29/557074529.db2.gz JFIIGHCYLNJXED-UHFFFAOYSA-N 0 0 439.462 3.845 50 0 IHAARN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2s1 ZINC000033298924 557074845 /nfs/dbraw/zinc/07/48/45/557074845.db2.gz XAWGGKMNQVBDEH-UHFFFAOYSA-N 0 0 430.960 3.853 50 0 IHAARN CS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000033298947 557075072 /nfs/dbraw/zinc/07/50/72/557075072.db2.gz IOIJXYCXDRQZCW-UHFFFAOYSA-N 0 0 436.458 3.519 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2s1 ZINC000033299076 557075426 /nfs/dbraw/zinc/07/54/26/557075426.db2.gz QZFNMAJQLWJYLI-UHFFFAOYSA-N 0 0 428.532 3.561 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCc4ccccc4Cl)n3)n2)cc1C ZINC000033292508 557075742 /nfs/dbraw/zinc/07/57/42/557075742.db2.gz UQQYYKWWXWMLEH-UHFFFAOYSA-N 0 0 449.898 3.542 50 0 IHAARN COc1cc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc(OC)c1 ZINC000033293110 557076010 /nfs/dbraw/zinc/07/60/10/557076010.db2.gz PNOKTSMSCPVOHX-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN COc1cccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)c1 ZINC000048375386 557076292 /nfs/dbraw/zinc/07/62/92/557076292.db2.gz MJDZFMHRIPUAGD-IBGZPJMESA-N 0 0 439.375 3.573 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000011283942 557076658 /nfs/dbraw/zinc/07/66/58/557076658.db2.gz MBKNQYWXITYGLH-IRXDYDNUSA-N 0 0 438.499 3.587 50 0 IHAARN CCc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cnn1-c1ccc(F)cc1 ZINC000024626350 557077072 /nfs/dbraw/zinc/07/70/72/557077072.db2.gz RJMYLBBFUUTVCI-UHFFFAOYSA-N 0 0 434.515 3.742 50 0 IHAARN O=C1C[C@@H](Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000112292710 557077735 /nfs/dbraw/zinc/07/77/35/557077735.db2.gz TXRVWKQQQKQKPP-HXUWFJFHSA-N 0 0 438.530 3.912 50 0 IHAARN COc1ccc(OCCN2CCN(Cn3nc(-c4ccc(C)cc4)[nH]c3=S)CC2)cc1 ZINC000023257794 557079844 /nfs/dbraw/zinc/07/98/44/557079844.db2.gz YFOLDYQIACWRPX-UHFFFAOYSA-N 0 0 439.585 3.579 50 0 IHAARN Cc1ccc(NC(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)cc1 ZINC000049002033 557081432 /nfs/dbraw/zinc/08/14/32/557081432.db2.gz VXBMROINJWGJFB-UHFFFAOYSA-N 0 0 426.476 3.904 50 0 IHAARN O=C(CSc1nccnc1N1CCSCC1)Nc1ccc(Br)cc1 ZINC000048987235 557082555 /nfs/dbraw/zinc/08/25/55/557082555.db2.gz PCOHHVAITBZFEP-UHFFFAOYSA-N 0 0 425.377 3.523 50 0 IHAARN COc1cccc(-c2csc3c2[nH]c(N2CCN(Cc4ccccc4)CC2)nc3=O)c1 ZINC000048990021 557083602 /nfs/dbraw/zinc/08/36/02/557083602.db2.gz KXFXUGBOPGXVOR-UHFFFAOYSA-N 0 0 432.549 3.982 50 0 IHAARN CC(C)CNC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000033302391 557083898 /nfs/dbraw/zinc/08/38/98/557083898.db2.gz KJIGCVYZICGBRX-UHFFFAOYSA-N 0 0 442.560 3.634 50 0 IHAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1)C1CC1 ZINC000023329249 557084439 /nfs/dbraw/zinc/08/44/39/557084439.db2.gz FHCLPNLLBHGEBN-LLVKDONJSA-N 0 0 436.559 3.539 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccc(C)cc2)s1 ZINC000033306411 557084579 /nfs/dbraw/zinc/08/45/79/557084579.db2.gz BXHLHFJWNPACRX-CSKARUKUSA-N 0 0 431.539 3.960 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)NC2(c3nc(C4CCOCC4)no3)CCOCC2)ccc1Cl ZINC000585141652 557084922 /nfs/dbraw/zinc/08/49/22/557084922.db2.gz DZIZLOODKVJPDH-OAHLLOKOSA-N 0 0 449.935 3.515 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCCc2ccccc2)s1 ZINC000033306439 557084937 /nfs/dbraw/zinc/08/49/37/557084937.db2.gz IMFGHKCJFPMUER-CSKARUKUSA-N 0 0 431.539 3.694 50 0 IHAARN COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3ccccc3C)ncn2)CC1 ZINC000049006760 557085470 /nfs/dbraw/zinc/08/54/70/557085470.db2.gz BCXXYWSVPVUFAB-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000023353602 557086687 /nfs/dbraw/zinc/08/66/87/557086687.db2.gz KZMWBKITSMWCTI-HNNXBMFYSA-N 0 0 431.949 3.642 50 0 IHAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2)o1 ZINC000033308331 557088527 /nfs/dbraw/zinc/08/85/27/557088527.db2.gz CXPJBCVTGODCHW-UHFFFAOYSA-N 0 0 442.475 3.993 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000049002421 557090262 /nfs/dbraw/zinc/09/02/62/557090262.db2.gz RTEVCGRAFLUNMW-UHFFFAOYSA-N 0 0 432.411 3.546 50 0 IHAARN COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1OC ZINC000049003189 557091086 /nfs/dbraw/zinc/09/10/86/557091086.db2.gz YBURCXUONUGOJA-UHFFFAOYSA-N 0 0 441.915 3.504 50 0 IHAARN COc1cccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2ccncc2)c1 ZINC000049003455 557091465 /nfs/dbraw/zinc/09/14/65/557091465.db2.gz NWGKPRNPADYWBP-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN CCOc1cccc(-c2noc(Cn3ncn4nc(-c5cc(C)ccc5C)cc4c3=O)n2)c1 ZINC000049004356 557092574 /nfs/dbraw/zinc/09/25/74/557092574.db2.gz TZYOJGHJZCKOND-UHFFFAOYSA-N 0 0 442.479 3.672 50 0 IHAARN O=C(CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1)Nc1ccc(F)cc1 ZINC000033309984 557092572 /nfs/dbraw/zinc/09/25/72/557092572.db2.gz BKXLGYVWNABYLX-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1 ZINC000033310263 557093573 /nfs/dbraw/zinc/09/35/73/557093573.db2.gz ZBHGRBPZLCTSLR-KRWDZBQOSA-N 0 0 429.565 3.911 50 0 IHAARN COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1COc1ccc(C(=O)NC2CC2)cc1 ZINC000033310738 557093946 /nfs/dbraw/zinc/09/39/46/557093946.db2.gz UHBSJHZIJKQMPC-SFHVURJKSA-N 0 0 428.916 3.924 50 0 IHAARN O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCc1ccccc1OC(F)(F)F ZINC000049343582 557094323 /nfs/dbraw/zinc/09/43/23/557094323.db2.gz XDDUOHHQAWBXMC-UHFFFAOYSA-N 0 0 437.805 3.779 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)N=C(C(=O)N1CCCCC1)S2(=O)=O ZINC000049402698 557097964 /nfs/dbraw/zinc/09/79/64/557097964.db2.gz LVMZEVVXVNEWQU-UHFFFAOYSA-N 0 0 431.945 3.768 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccccc1F)N=C(C(=O)N1CCCCCC1)S2(=O)=O ZINC000049402721 557098249 /nfs/dbraw/zinc/09/82/49/557098249.db2.gz KNDSISBTRKPVTN-UHFFFAOYSA-N 0 0 429.517 3.644 50 0 IHAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C3=C2C(=O)OC3)cc1 ZINC000049402925 557098292 /nfs/dbraw/zinc/09/82/92/557098292.db2.gz LKJSCRKGFYIWOQ-LJQANCHMSA-N 0 0 445.397 3.530 50 0 IHAARN CC(C)c1cccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3cccc(Cl)c3)NC2=O)c1 ZINC000049402977 557098535 /nfs/dbraw/zinc/09/85/35/557098535.db2.gz AOBUODDYDQAZPB-NRFANRHFSA-N 0 0 439.899 3.979 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(F)cc(F)c4)CC3)n2)cc1 ZINC000049403476 557099262 /nfs/dbraw/zinc/09/92/62/557099262.db2.gz OQROJNJTLXUTBM-UHFFFAOYSA-N 0 0 428.439 3.842 50 0 IHAARN CCc1noc(-c2ccc(SCC(=O)NCc3cccc(Br)c3)nc2)n1 ZINC000049405666 557100934 /nfs/dbraw/zinc/10/09/34/557100934.db2.gz HCEQKNDSZKXXAI-UHFFFAOYSA-N 0 0 433.331 3.865 50 0 IHAARN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)C1 ZINC000085223609 557100930 /nfs/dbraw/zinc/10/09/30/557100930.db2.gz SBNLGJLMZOOKSR-SFTDATJTSA-N 0 0 426.513 3.806 50 0 IHAARN O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 ZINC000049406144 557101238 /nfs/dbraw/zinc/10/12/38/557101238.db2.gz BBLARXIUYVLIDB-UHFFFAOYSA-N 0 0 429.952 3.612 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1OC ZINC000023624987 557101467 /nfs/dbraw/zinc/10/14/67/557101467.db2.gz LQGZGTSUIJRCIB-UHFFFAOYSA-N 0 0 438.596 3.571 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)c1C ZINC000085620816 557102340 /nfs/dbraw/zinc/10/23/40/557102340.db2.gz FANOWHVNSCLANO-IBGZPJMESA-N 0 0 429.561 3.667 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621428 557102902 /nfs/dbraw/zinc/10/29/02/557102902.db2.gz PVNOYCFYFIVMGY-FXAWDEMLSA-N 0 0 439.556 3.926 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147520 557104879 /nfs/dbraw/zinc/10/48/79/557104879.db2.gz CBACJIGLPZYXLY-JXMROGBWSA-N 0 0 443.503 3.591 50 0 IHAARN COc1ccc(C(=O)N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1F ZINC000585147565 557105181 /nfs/dbraw/zinc/10/51/81/557105181.db2.gz WITIHHSFTWIPEY-UHFFFAOYSA-N 0 0 439.462 3.750 50 0 IHAARN Cc1sc2nc(CN3CCN(C(=O)CCCC4CCCCC4)CC3)[nH]c(=O)c2c1C ZINC000023674836 557105596 /nfs/dbraw/zinc/10/55/96/557105596.db2.gz LLHROFUQOGWMEG-UHFFFAOYSA-N 0 0 430.618 3.996 50 0 IHAARN CCN(C(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O)c1ccccc1 ZINC000049411417 557106375 /nfs/dbraw/zinc/10/63/75/557106375.db2.gz WACBKIASWJGEHI-UHFFFAOYSA-N 0 0 436.537 3.543 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325699 557107842 /nfs/dbraw/zinc/10/78/42/557107842.db2.gz MDWNCYBMEBIWEW-HXUWFJFHSA-N 0 0 441.528 3.596 50 0 IHAARN CCN(CC)c1c2cc(OC)c(OC)cc2ncc1S(=O)(=O)c1ccc(OC)cc1 ZINC000049421523 557108067 /nfs/dbraw/zinc/10/80/67/557108067.db2.gz VUYMMBMAGJBWAP-UHFFFAOYSA-N 0 0 430.526 3.940 50 0 IHAARN CCOc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)nn2c1C ZINC000086069754 557108082 /nfs/dbraw/zinc/10/80/82/557108082.db2.gz WQSYRGBKQCXGBH-UHFFFAOYSA-N 0 0 431.496 3.997 50 0 IHAARN COC(=O)c1ccc(NC(=O)C2CCN(Cc3noc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000033327680 557110611 /nfs/dbraw/zinc/11/06/11/557110611.db2.gz KTIGQLLCCFYALY-UHFFFAOYSA-N 0 0 434.496 3.682 50 0 IHAARN COc1cc(OC)cc(C(=O)NCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 ZINC000011358138 557110967 /nfs/dbraw/zinc/11/09/67/557110967.db2.gz CVTRLLQDVOOJNB-UHFFFAOYSA-N 0 0 425.510 3.813 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2cccs2)CC1 ZINC000023736216 557112097 /nfs/dbraw/zinc/11/20/97/557112097.db2.gz DXTDIRLFUWAHMG-UHFFFAOYSA-N 0 0 429.549 3.954 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3cccc(F)c3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049547552 557112293 /nfs/dbraw/zinc/11/22/93/557112293.db2.gz AOOUBGFHDDBGOL-OAHLLOKOSA-N 0 0 444.484 3.812 50 0 IHAARN O=S(=O)(c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1)N1CCCC1 ZINC000023745257 557113955 /nfs/dbraw/zinc/11/39/55/557113955.db2.gz NPNWBANMHPUIGW-UHFFFAOYSA-N 0 0 428.583 3.860 50 0 IHAARN Cc1nc2sccc2c(=O)n1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590273 557116990 /nfs/dbraw/zinc/11/69/90/557116990.db2.gz KRQKTYZFLSIZRJ-UHFFFAOYSA-N 0 0 446.532 3.542 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)nc1 ZINC000049652466 557117673 /nfs/dbraw/zinc/11/76/73/557117673.db2.gz VHRJEJZMGRGHGF-UHFFFAOYSA-N 0 0 428.517 3.771 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000000950255 557117754 /nfs/dbraw/zinc/11/77/54/557117754.db2.gz CKZPIKCFVRUIGH-UHFFFAOYSA-N 0 0 445.766 3.622 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000023861396 557120596 /nfs/dbraw/zinc/12/05/96/557120596.db2.gz XDDKLDJGGXUCKP-ZDUSSCGKSA-N 0 0 437.418 3.685 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccccc1C(F)(F)F ZINC000000629030 557122234 /nfs/dbraw/zinc/12/22/34/557122234.db2.gz FWJPLOPVAVJJMB-LIRRHRJNSA-N 0 0 439.430 3.835 50 0 IHAARN O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023873413 557122288 /nfs/dbraw/zinc/12/22/88/557122288.db2.gz ZGGDMUUBEOXFRJ-UHFFFAOYSA-N 0 0 445.951 3.848 50 0 IHAARN O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCC1 ZINC000000630967 557123187 /nfs/dbraw/zinc/12/31/87/557123187.db2.gz RUPIJCVCGFIQER-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3CN3CCOCC3)cc12 ZINC000023908094 557124765 /nfs/dbraw/zinc/12/47/65/557124765.db2.gz XIGCYWJXOVBDTN-UHFFFAOYSA-N 0 0 426.586 3.824 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000017824404 557124908 /nfs/dbraw/zinc/12/49/08/557124908.db2.gz UKCAEXIRUTXJBH-LJQANCHMSA-N 0 0 430.508 3.549 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1OC ZINC000023908733 557125294 /nfs/dbraw/zinc/12/52/94/557125294.db2.gz SZDIEPXIBGOIEN-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccs1 ZINC000017842278 557125630 /nfs/dbraw/zinc/12/56/30/557125630.db2.gz JKAVNVSJZADHAI-MRXNPFEDSA-N 0 0 432.611 3.905 50 0 IHAARN O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000206688297 557126519 /nfs/dbraw/zinc/12/65/19/557126519.db2.gz JZFWOECTEIHKPS-MRXNPFEDSA-N 0 0 440.399 3.576 50 0 IHAARN O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000023936993 557126867 /nfs/dbraw/zinc/12/68/67/557126867.db2.gz GSGVTVYITHTMPZ-OAQYLSRUSA-N 0 0 431.517 3.644 50 0 IHAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(Cc2ccncc2)CC1 ZINC000023955794 557127672 /nfs/dbraw/zinc/12/76/72/557127672.db2.gz AKLLBGHHIRRALW-UHFFFAOYSA-N 0 0 448.592 3.605 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023956752 557127927 /nfs/dbraw/zinc/12/79/27/557127927.db2.gz XPZOXAKCQHNLPD-UHFFFAOYSA-N 0 0 426.520 3.992 50 0 IHAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023967800 557128042 /nfs/dbraw/zinc/12/80/42/557128042.db2.gz PVYMLXUQMXYBFV-UHFFFAOYSA-N 0 0 440.503 3.712 50 0 IHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000041076599 557128918 /nfs/dbraw/zinc/12/89/18/557128918.db2.gz FRPDKUPVORDTAZ-OAQYLSRUSA-N 0 0 433.464 3.971 50 0 IHAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000023982384 557129364 /nfs/dbraw/zinc/12/93/64/557129364.db2.gz KBQFNNOKZMGYSN-UHFFFAOYSA-N 0 0 432.478 3.852 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000023989920 557130130 /nfs/dbraw/zinc/13/01/30/557130130.db2.gz QHMIETQXQVUMFL-DEOSSOPVSA-N 0 0 435.524 3.674 50 0 IHAARN Cc1nc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc2)cs1 ZINC000023989947 557130263 /nfs/dbraw/zinc/13/02/63/557130263.db2.gz VBTZXRFXGXTRPB-UHFFFAOYSA-N 0 0 449.576 3.923 50 0 IHAARN COC(=O)c1ccoc1COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000024037992 557133286 /nfs/dbraw/zinc/13/32/86/557133286.db2.gz PDCNUEJSFYJONP-AWEZNQCLSA-N 0 0 429.372 3.631 50 0 IHAARN COc1cc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc(OC)c1OC(C)=O ZINC000000677528 557133380 /nfs/dbraw/zinc/13/33/80/557133380.db2.gz XANROQNXPKPLOY-TVPGTPATSA-N 0 0 437.782 3.905 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000024051101 557134444 /nfs/dbraw/zinc/13/44/44/557134444.db2.gz RVMGJVVABWXVEV-UHFFFAOYSA-N 0 0 429.563 3.591 50 0 IHAARN Cc1ccccc1[C@@H](OC[C@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000024089763 557136129 /nfs/dbraw/zinc/13/61/29/557136129.db2.gz PEEUPWIFUCEXOQ-PQIHKERBSA-N 0 0 436.552 3.963 50 0 IHAARN CC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000017994168 557137416 /nfs/dbraw/zinc/13/74/16/557137416.db2.gz UTHLGSOXEIDBAC-MUGJNUQGSA-N 0 0 426.394 3.684 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000024207552 557140747 /nfs/dbraw/zinc/14/07/47/557140747.db2.gz LAHZAFUNZHHBNW-UHFFFAOYSA-N 0 0 446.370 3.504 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000024363407 557140990 /nfs/dbraw/zinc/14/09/90/557140990.db2.gz MCIIWRWTSLOCSK-UHFFFAOYSA-N 0 0 428.488 3.651 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)NC1CCCCC1 ZINC000004814672 557142727 /nfs/dbraw/zinc/14/27/27/557142727.db2.gz HLSGERGXHSCUHF-UHFFFAOYSA-N 0 0 429.590 3.637 50 0 IHAARN COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000024292059 557143308 /nfs/dbraw/zinc/14/33/08/557143308.db2.gz DBSJHBCXNOTVFY-UHFFFAOYSA-N 0 0 433.508 3.807 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000024381920 557146080 /nfs/dbraw/zinc/14/60/80/557146080.db2.gz PSZDCCGALVHZOE-LEWJYISDSA-N 0 0 430.552 3.857 50 0 IHAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C(C)C)nc21 ZINC000024472862 557148137 /nfs/dbraw/zinc/14/81/37/557148137.db2.gz VLVWVWCEJRFJEJ-UHFFFAOYSA-N 0 0 434.540 3.669 50 0 IHAARN O=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)c1cccs1 ZINC000016399465 557150403 /nfs/dbraw/zinc/15/04/03/557150403.db2.gz UJKRFTALMYKXIZ-UHFFFAOYSA-N 0 0 428.276 3.564 50 0 IHAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000011458774 557150887 /nfs/dbraw/zinc/15/08/87/557150887.db2.gz KDJJOTPIRVEDCF-UHFFFAOYSA-N 0 0 428.876 3.529 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1)n1cncn1 ZINC000024583579 557152260 /nfs/dbraw/zinc/15/22/60/557152260.db2.gz YJTAZUBLQCOMSR-AWEZNQCLSA-N 0 0 427.892 3.927 50 0 IHAARN Cc1ccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000024607038 557153345 /nfs/dbraw/zinc/15/33/45/557153345.db2.gz UQVRNQBIDBJPPI-SFHVURJKSA-N 0 0 438.640 3.507 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000024608709 557153993 /nfs/dbraw/zinc/15/39/93/557153993.db2.gz PSXLMTPJBDEXMH-UHFFFAOYSA-N 0 0 434.945 3.723 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3)CC2)cc1 ZINC000024609215 557154381 /nfs/dbraw/zinc/15/43/81/557154381.db2.gz JECFTEPOTMIDPZ-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610516 557154778 /nfs/dbraw/zinc/15/47/78/557154778.db2.gz ZUMIOIBVERTOAG-UHFFFAOYSA-N 0 0 433.039 3.530 50 0 IHAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000011502065 557155133 /nfs/dbraw/zinc/15/51/33/557155133.db2.gz PTPGEEAGMLETNL-UHFFFAOYSA-N 0 0 448.548 3.868 50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccccc2)CC1 ZINC000024611125 557155119 /nfs/dbraw/zinc/15/51/19/557155119.db2.gz HYWNYRIORFPTDU-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000024631750 557156759 /nfs/dbraw/zinc/15/67/59/557156759.db2.gz YKLSWQGCHUQNCF-NRFANRHFSA-N 0 0 425.529 3.664 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)C(C)C ZINC000011534267 557160277 /nfs/dbraw/zinc/16/02/77/557160277.db2.gz FXAUMYVIKCFXEC-JOCHJYFZSA-N 0 0 433.508 3.911 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3cccnc32)CC1 ZINC000024715928 557160397 /nfs/dbraw/zinc/16/03/97/557160397.db2.gz RDOTXWLEDVOTIA-JOCHJYFZSA-N 0 0 437.927 3.950 50 0 IHAARN Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cnn1-c1ccc(C)cc1 ZINC000024752308 557162637 /nfs/dbraw/zinc/16/26/37/557162637.db2.gz HIYNZXMCGFZRSA-UHFFFAOYSA-N 0 0 445.567 3.502 50 0 IHAARN CCS(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000011544020 557162670 /nfs/dbraw/zinc/16/26/70/557162670.db2.gz BWHDJCWSVFTTJR-UHFFFAOYSA-N 0 0 432.523 3.873 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccncc2)n1CC ZINC000006878305 557163782 /nfs/dbraw/zinc/16/37/82/557163782.db2.gz XTJKECRLPAWHOQ-UHFFFAOYSA-N 0 0 445.570 3.946 50 0 IHAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 ZINC000206802124 557165112 /nfs/dbraw/zinc/16/51/12/557165112.db2.gz AWMDUYGDMAUUFU-CJNGLKHVSA-N 0 0 446.525 3.749 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)o2)cc1 ZINC000018480246 557169427 /nfs/dbraw/zinc/16/94/27/557169427.db2.gz MOUXSMXOEDZANZ-YVEFUNNKSA-N 0 0 425.466 3.853 50 0 IHAARN O=S(=O)(c1cccc2cccnc21)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207018244 557171049 /nfs/dbraw/zinc/17/10/49/557171049.db2.gz OFMQDZOABSFECH-HNNXBMFYSA-N 0 0 440.550 3.990 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000000779778 557174654 /nfs/dbraw/zinc/17/46/54/557174654.db2.gz FNUAGQWVYMSIKY-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cs1 ZINC000024864347 557174882 /nfs/dbraw/zinc/17/48/82/557174882.db2.gz JNEJJPNMYQSQLS-UHFFFAOYSA-N 0 0 433.537 3.855 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)CC2=O)cc1 ZINC000024897035 557177639 /nfs/dbraw/zinc/17/76/39/557177639.db2.gz IKWZJVZGUSTKTP-SFHVURJKSA-N 0 0 444.491 3.724 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3sccc3[C@H]2c2ccccc2)NC(=O)N[C@@H]1CC ZINC000024945468 557181813 /nfs/dbraw/zinc/18/18/13/557181813.db2.gz MVCPUTXYWLBWHP-DYESRHJHSA-N 0 0 425.554 3.604 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N(C)C ZINC000097987516 557183853 /nfs/dbraw/zinc/18/38/53/557183853.db2.gz OPFQVDSMGMNEDI-LICLKQGHSA-N 0 0 428.872 3.550 50 0 IHAARN CCCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)s1 ZINC000009302916 557185796 /nfs/dbraw/zinc/18/57/96/557185796.db2.gz IQPSQLNDFXTCFP-UHFFFAOYSA-N 0 0 438.966 3.582 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 ZINC000009304479 557186121 /nfs/dbraw/zinc/18/61/21/557186121.db2.gz RZOAJUJFUMUUDD-UHFFFAOYSA-N 0 0 425.514 3.514 50 0 IHAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024991112 557187652 /nfs/dbraw/zinc/18/76/52/557187652.db2.gz QNLCFGSEQBYUPE-UHFFFAOYSA-N 0 0 441.988 3.500 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccc(C)c(C)c3n2C)cc1 ZINC000100821307 557187749 /nfs/dbraw/zinc/18/77/49/557187749.db2.gz NXMRDNGMILGKQD-QURGRASLSA-N 0 0 431.583 3.628 50 0 IHAARN Cc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000009582667 557190379 /nfs/dbraw/zinc/19/03/79/557190379.db2.gz CTRCJXFTRJTGNA-UHFFFAOYSA-N 0 0 428.945 3.724 50 0 IHAARN O=C(COc1cccc(-n2cnnn2)c1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000025046788 557190492 /nfs/dbraw/zinc/19/04/92/557190492.db2.gz FZKLDBSOCHZVGQ-NRFANRHFSA-N 0 0 429.505 3.921 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000025145276 557196459 /nfs/dbraw/zinc/19/64/59/557196459.db2.gz PFYHGEFWCJIJLH-FQEVSTJZSA-N 0 0 442.441 3.821 50 0 IHAARN COC(=O)Cn1c2ccc(Br)cc2s/c1=N\C(=O)CCOc1ccccc1 ZINC000100876386 557197707 /nfs/dbraw/zinc/19/77/07/557197707.db2.gz XORPCORQFBAVCG-VZCXRCSSSA-N 0 0 449.326 3.535 50 0 IHAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000025161094 557197693 /nfs/dbraw/zinc/19/76/93/557197693.db2.gz QDOJYEKDXPCNLM-ZDUSSCGKSA-N 0 0 433.505 3.986 50 0 IHAARN O=C1C[C@@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096316569 557198539 /nfs/dbraw/zinc/19/85/39/557198539.db2.gz GKPBLFFGWCIOJD-GOSISDBHSA-N 0 0 448.748 3.557 50 0 IHAARN CC(=O)Oc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000096398812 557199876 /nfs/dbraw/zinc/19/98/76/557199876.db2.gz LAPWKCGXDDTOGM-LDADJPATSA-N 0 0 444.896 3.732 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@@H]1c1ccccc1OC ZINC000100938828 557202812 /nfs/dbraw/zinc/20/28/12/557202812.db2.gz KFCBHCWEPVJJEH-HXUWFJFHSA-N 0 0 427.526 3.502 50 0 IHAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O ZINC000011583971 557204826 /nfs/dbraw/zinc/20/48/26/557204826.db2.gz VSZQVSZAVRQLRR-VWLOTQADSA-N 0 0 447.441 3.618 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1=O ZINC000011590049 557205209 /nfs/dbraw/zinc/20/52/09/557205209.db2.gz KPUQXYTXXKAKRK-SFHVURJKSA-N 0 0 447.535 3.650 50 0 IHAARN CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@@H]1c1cccs1 ZINC000024901045 557207859 /nfs/dbraw/zinc/20/78/59/557207859.db2.gz PCFCDBCPXVNKDM-GFCCVEGCSA-N 0 0 442.613 3.675 50 0 IHAARN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000011613152 557208858 /nfs/dbraw/zinc/20/88/58/557208858.db2.gz LQDZPTQOADXWPN-UHFFFAOYSA-N 0 0 440.496 3.590 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000025458243 557210651 /nfs/dbraw/zinc/21/06/51/557210651.db2.gz QSYRLCPBBTYINR-NEQMZLFVSA-N 0 0 436.581 3.754 50 0 IHAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000010985643 557211162 /nfs/dbraw/zinc/21/11/62/557211162.db2.gz DZXIPYVECJKAIU-UHFFFAOYSA-N 0 0 434.521 3.798 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1Br ZINC000010988807 557211403 /nfs/dbraw/zinc/21/14/03/557211403.db2.gz LJSPDWFHDHHWTG-ZDUSSCGKSA-N 0 0 434.309 3.784 50 0 IHAARN COc1ccc(C2=NN[C@@H](c3ccc4c(c3)OCCCO4)[C@H]2O)c(OCc2ccccc2)c1 ZINC000025575573 557215759 /nfs/dbraw/zinc/21/57/59/557215759.db2.gz NSCYFZBTMVNIKH-AZGAKELHSA-N 0 0 446.503 3.845 50 0 IHAARN CCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000101061401 557218911 /nfs/dbraw/zinc/21/89/11/557218911.db2.gz LQRYOBYROQIPGD-VZCXRCSSSA-N 0 0 431.564 3.867 50 0 IHAARN COc1ccc(-n2nnnc2SC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000025644201 557220377 /nfs/dbraw/zinc/22/03/77/557220377.db2.gz DAQVSXCKNOFVKY-QGZVFWFLSA-N 0 0 431.521 3.932 50 0 IHAARN Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000011652591 557220902 /nfs/dbraw/zinc/22/09/02/557220902.db2.gz XPCVOEWBJVQJSI-QGZVFWFLSA-N 0 0 441.322 3.688 50 0 IHAARN O=C(OCc1cc2c(cc1Br)OCCO2)c1ccc(Cn2cccn2)cc1 ZINC000010822107 557224970 /nfs/dbraw/zinc/22/49/70/557224970.db2.gz FFFHBFAFBFSAAI-UHFFFAOYSA-N 0 0 429.270 3.822 50 0 IHAARN COc1ccc(OC)c(CN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C2CC2)c1 ZINC000025807759 557227375 /nfs/dbraw/zinc/22/73/75/557227375.db2.gz LSHHTJKBXXOECS-UHFFFAOYSA-N 0 0 437.471 3.502 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011168112 557227400 /nfs/dbraw/zinc/22/74/00/557227400.db2.gz YSXXCMHHKHBZRL-UHFFFAOYSA-N 0 0 439.265 3.622 50 0 IHAARN CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(NC(=O)C3CC3)cc2)C(C)C)cc1 ZINC000025849034 557228440 /nfs/dbraw/zinc/22/84/40/557228440.db2.gz AKQNXZVQDUVFBZ-JOCHJYFZSA-N 0 0 437.540 3.505 50 0 IHAARN Cc1cc(=O)c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)nn1-c1ccccc1 ZINC000025852327 557228797 /nfs/dbraw/zinc/22/87/97/557228797.db2.gz RRKJOLZITHFUHT-UHFFFAOYSA-N 0 0 426.856 3.713 50 0 IHAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000025871418 557229170 /nfs/dbraw/zinc/22/91/70/557229170.db2.gz LTLBZGYTBAUBNI-UHFFFAOYSA-N 0 0 444.818 3.948 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000046668429 557229422 /nfs/dbraw/zinc/22/94/22/557229422.db2.gz JLGBQKPUBGORKS-UHFFFAOYSA-N 0 0 428.851 3.631 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000011658388 557229699 /nfs/dbraw/zinc/22/96/99/557229699.db2.gz QZSJVLUIWAIWON-UHFFFAOYSA-N 0 0 425.514 3.912 50 0 IHAARN COCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000011550371 557229709 /nfs/dbraw/zinc/22/97/09/557229709.db2.gz QGUWSHRPZHYIOQ-UHFFFAOYSA-N 0 0 438.509 3.784 50 0 IHAARN CCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000025919515 557230367 /nfs/dbraw/zinc/23/03/67/557230367.db2.gz IYTQDKJOVCSHLT-UHFFFAOYSA-N 0 0 439.508 3.990 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1[C@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@@H]1O3 ZINC000097964578 557230919 /nfs/dbraw/zinc/23/09/19/557230919.db2.gz GAJPJLXYIVANED-SRYPRDQNSA-N 0 0 443.330 3.592 50 0 biogenic IHAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C ZINC000018036643 557230942 /nfs/dbraw/zinc/23/09/42/557230942.db2.gz MQKNBNILQWJLLJ-HYARGMPZSA-N 0 0 447.516 3.591 50 0 IHAARN COC(=O)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000000807965 557231563 /nfs/dbraw/zinc/23/15/63/557231563.db2.gz WHTHSWYUFZICQE-UHFFFAOYSA-N 0 0 429.856 3.559 50 0 IHAARN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000072255849 557231683 /nfs/dbraw/zinc/23/16/83/557231683.db2.gz HUVSHTUSLOKTIF-SECBINFHSA-N 0 0 443.227 3.958 50 0 IHAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000026065679 557233246 /nfs/dbraw/zinc/23/32/46/557233246.db2.gz ARDYAPOHVHDSDP-LAUBAEHRSA-N 0 0 435.528 3.581 50 0 IHAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000018046058 557234671 /nfs/dbraw/zinc/23/46/71/557234671.db2.gz MBVNPIOZBDZETI-CQSZACIVSA-N 0 0 425.838 3.654 50 0 IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(OC)cc4OC)CC3)n[nH]2)cc1 ZINC000098212756 557235784 /nfs/dbraw/zinc/23/57/84/557235784.db2.gz SAEINBFMEJSTPW-UHFFFAOYSA-N 0 0 436.512 3.501 50 0 IHAARN CC(=O)Nc1nc(CSc2nnc(C3CC3)n2-c2cccc(NC(C)=O)c2)cs1 ZINC000026136661 557236161 /nfs/dbraw/zinc/23/61/61/557236161.db2.gz PVAPONVKBFDPCV-UHFFFAOYSA-N 0 0 428.543 3.810 50 0 IHAARN CCNC(=O)COc1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1 ZINC000026217641 557237431 /nfs/dbraw/zinc/23/74/31/557237431.db2.gz GFRVIKQSDVPYSK-UHFFFAOYSA-N 0 0 431.464 3.779 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000100024260 557237571 /nfs/dbraw/zinc/23/75/71/557237571.db2.gz XACHLAROTHMEPQ-HXUWFJFHSA-N 0 0 447.457 3.558 50 0 IHAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1C)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604406366 557240009 /nfs/dbraw/zinc/24/00/09/557240009.db2.gz RQXTYXLCICMAPH-JOCHJYFZSA-N 0 0 431.540 3.930 50 0 biogenic IHAARN COc1ccc([C@H](O)Cn2cnc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000583649193 557240358 /nfs/dbraw/zinc/24/03/58/557240358.db2.gz KBSSZVFRGRQXHO-HSZRJFAPSA-N 0 0 444.491 3.852 50 0 IHAARN O=C(CCC1CCCCC1)NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 ZINC000583649723 557240604 /nfs/dbraw/zinc/24/06/04/557240604.db2.gz WNUHOTJSSCHIBB-SFHVURJKSA-N 0 0 428.508 3.702 50 0 IHAARN CCSc1nc(=O)c2sc3nc(N4CCOCC4)c4c(c3c2[nH]1)CC(C)(C)OC4 ZINC000018151932 557243844 /nfs/dbraw/zinc/24/38/44/557243844.db2.gz SAXXBEZMVSEEBQ-UHFFFAOYSA-N 0 0 432.571 3.745 50 0 IHAARN CC1CCN(c2nn(CN3CCc4ccccc4C3)c(=S)n2C[C@@H]2CCCO2)CC1 ZINC000026551688 557244476 /nfs/dbraw/zinc/24/44/76/557244476.db2.gz WBVWZVOYBGXDIN-NRFANRHFSA-N 0 0 427.618 3.845 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)n1 ZINC000026559811 557244795 /nfs/dbraw/zinc/24/47/95/557244795.db2.gz RSYQJZCHJDPRFZ-UHFFFAOYSA-N 0 0 443.912 3.952 50 0 IHAARN CCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000018168746 557245298 /nfs/dbraw/zinc/24/52/98/557245298.db2.gz KMGLCUSCTIDFPJ-CJFMBICVSA-N 0 0 434.540 3.713 50 0 IHAARN O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100163372 557245494 /nfs/dbraw/zinc/24/54/94/557245494.db2.gz MTRXJOSUCMIGAQ-FQEVSTJZSA-N 0 0 443.459 3.782 50 0 IHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 ZINC000026691535 557246813 /nfs/dbraw/zinc/24/68/13/557246813.db2.gz GUUMZHTZBKRLSD-HNAYVOBHSA-N 0 0 435.343 3.779 50 0 IHAARN O=C(CNc1cccc(OCc2ccc(F)cc2)c1)NC(=O)NCCc1cccs1 ZINC000026787784 557248899 /nfs/dbraw/zinc/24/88/99/557248899.db2.gz USWIPSJOGINIAC-UHFFFAOYSA-N 0 0 427.501 3.947 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000026923073 557251282 /nfs/dbraw/zinc/25/12/82/557251282.db2.gz YZNHVROMKWHQIY-RCZVLFRGSA-N 0 0 436.519 3.887 50 0 IHAARN O=C(CSCc1cc(=O)n2ccsc2n1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000026939648 557251894 /nfs/dbraw/zinc/25/18/94/557251894.db2.gz WJQRNZYUKJTLFI-UHFFFAOYSA-N 0 0 437.949 3.973 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(I)c1)c1cccc(F)c1 ZINC000018235942 557253681 /nfs/dbraw/zinc/25/36/81/557253681.db2.gz PJUVUSZQILTPFT-INIZCTEOSA-N 0 0 435.240 3.683 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1OC ZINC000027064500 557256258 /nfs/dbraw/zinc/25/62/58/557256258.db2.gz LLLAQMXOPOBDFB-UHFFFAOYSA-N 0 0 437.477 3.517 50 0 IHAARN C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000027100766 557256875 /nfs/dbraw/zinc/25/68/75/557256875.db2.gz VXZQVAREPXPILE-GFCCVEGCSA-N 0 0 440.352 3.765 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101152077 557256916 /nfs/dbraw/zinc/25/69/16/557256916.db2.gz WIDOYZJXGXJVAM-FUHWJXTLSA-N 0 0 446.290 3.599 50 0 IHAARN COC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000011019081 557257236 /nfs/dbraw/zinc/25/72/36/557257236.db2.gz KOXDSGCCKBWCBH-UHFFFAOYSA-N 0 0 430.574 3.739 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)cc1 ZINC000101160790 557257459 /nfs/dbraw/zinc/25/74/59/557257459.db2.gz LMIXSMYPIWBSKQ-UHFFFAOYSA-N 0 0 438.553 3.860 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccoc3)s2)cc1N1CCCC1=O ZINC000390831741 557258765 /nfs/dbraw/zinc/25/87/65/557258765.db2.gz UMERSKBQEOBPDI-UHFFFAOYSA-N 0 0 437.521 3.741 50 0 IHAARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1OC ZINC000101175222 557260652 /nfs/dbraw/zinc/26/06/52/557260652.db2.gz IQKLXXPMDIELJF-NRFANRHFSA-N 0 0 429.476 3.811 50 0 IHAARN CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@@H]1c1cccs1 ZINC000027373613 557261053 /nfs/dbraw/zinc/26/10/53/557261053.db2.gz UBLHHFFHCZTMST-LJQANCHMSA-N 0 0 449.960 3.583 50 0 IHAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 ZINC000027373857 557261283 /nfs/dbraw/zinc/26/12/83/557261283.db2.gz BWIYKHDPKCWYDV-JOCHJYFZSA-N 0 0 434.496 3.719 50 0 IHAARN O=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000100516127 557263370 /nfs/dbraw/zinc/26/33/70/557263370.db2.gz YLQAOEVQRLBQMB-CQSZACIVSA-N 0 0 426.641 3.689 50 0 IHAARN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012996613 557263780 /nfs/dbraw/zinc/26/37/80/557263780.db2.gz GIOLMHAUFGGCBI-NSHDSACASA-N 0 0 430.320 3.514 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2N2CCOCC2)cc1 ZINC000100630500 557266745 /nfs/dbraw/zinc/26/67/45/557266745.db2.gz IELBPIQZIPCVHE-OYRHEFFESA-N 0 0 447.535 3.764 50 0 IHAARN O=C(N/C(C(=O)N1CCOCC1)=C(/Sc1ccccn1)c1ccccc1)c1ccccc1 ZINC000000820645 557267488 /nfs/dbraw/zinc/26/74/88/557267488.db2.gz VRFRWYRQQJQMST-GHVJWSGMSA-N 0 0 445.544 3.831 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)cc1Cl ZINC000027742608 557272195 /nfs/dbraw/zinc/27/21/95/557272195.db2.gz WWMBHYODGYMDHP-UHFFFAOYSA-N 0 0 437.930 3.735 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354209 557275415 /nfs/dbraw/zinc/27/54/15/557275415.db2.gz GKVRTGWNXLLSFW-UHFFFAOYSA-N 0 0 427.460 3.969 50 0 IHAARN Cc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000018486401 557278081 /nfs/dbraw/zinc/27/80/81/557278081.db2.gz BHMARFYFMLEQKJ-UHFFFAOYSA-N 0 0 430.961 3.918 50 0 IHAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000100955163 557279654 /nfs/dbraw/zinc/27/96/54/557279654.db2.gz PCFZJCAHORDDIY-HXUWFJFHSA-N 0 0 448.350 3.846 50 0 IHAARN COC(=O)CNC(=O)CC1=C(C)/C(=C\c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 ZINC000101466752 557285159 /nfs/dbraw/zinc/28/51/59/557285159.db2.gz FAKIKUAUYLHICP-SYXOMWOLSA-N 0 0 427.497 3.570 50 0 IHAARN O=C1C[C@@H](N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)C(=O)N1c1ccccc1 ZINC000101533311 557290752 /nfs/dbraw/zinc/29/07/52/557290752.db2.gz CXUAQPHPPUQQJQ-LJQANCHMSA-N 0 0 429.398 3.757 50 0 IHAARN O=C1NC(=Cc2ccc(O)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000101519427 557290785 /nfs/dbraw/zinc/29/07/85/557290785.db2.gz CWIJFNUNFJEYHQ-JYRVWZFOSA-N 0 0 440.624 3.748 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCCCCC1 ZINC000101629274 557291847 /nfs/dbraw/zinc/29/18/47/557291847.db2.gz QHVBNYVKYULRHE-BGYRXZFFSA-N 0 0 432.586 3.671 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC000014060250 557293724 /nfs/dbraw/zinc/29/37/24/557293724.db2.gz SILIGPGWWCJCDX-UHFFFAOYSA-N 0 0 430.507 3.643 50 0 IHAARN CC(C)c1ccc(CNc2nn3c(nc(CN4CCc5ccccc5C4)cc3=O)[nH]2)cc1 ZINC000101796849 557298681 /nfs/dbraw/zinc/29/86/81/557298681.db2.gz QUPSTNQHTZYANF-UHFFFAOYSA-N 0 0 428.540 3.711 50 0 IHAARN COCCNc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)s1 ZINC000014075807 557299149 /nfs/dbraw/zinc/29/91/49/557299149.db2.gz RZVHXDBNSUAQAC-CYBMUJFWSA-N 0 0 449.583 3.721 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000023324482 557300806 /nfs/dbraw/zinc/30/08/06/557300806.db2.gz KFECXRDZMPRRKW-UHFFFAOYSA-N 0 0 432.524 3.570 50 0 IHAARN CCc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccc(C)cc4)nn3c2=O)cc1 ZINC000101834859 557301445 /nfs/dbraw/zinc/30/14/45/557301445.db2.gz LFRFJVQKNAWJNB-UHFFFAOYSA-N 0 0 444.539 3.780 50 0 IHAARN CC[C@@H](C)n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000014108851 557303826 /nfs/dbraw/zinc/30/38/26/557303826.db2.gz IHPBJRLMNCVUHT-CABCVRRESA-N 0 0 439.537 3.893 50 0 IHAARN C[C@@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000014112729 557305227 /nfs/dbraw/zinc/30/52/27/557305227.db2.gz ORVOVTKMDFDFNB-WZONZLPQSA-N 0 0 432.630 3.564 50 0 IHAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[C@H]1CCCC1=N2 ZINC000101945639 557307808 /nfs/dbraw/zinc/30/78/08/557307808.db2.gz QHCFDABMMVEWGB-SFHVURJKSA-N 0 0 439.537 3.565 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000014179821 557313853 /nfs/dbraw/zinc/31/38/53/557313853.db2.gz IWOXIWWEEJLLNZ-QGZVFWFLSA-N 0 0 441.322 3.770 50 0 IHAARN O=C(/C=C/c1cc(Br)ccc1F)NCc1ccccc1CN1CCOCC1 ZINC000032741140 557314762 /nfs/dbraw/zinc/31/47/62/557314762.db2.gz AEFBYHTUWOYQRY-VMPITWQZSA-N 0 0 433.321 3.750 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1OC ZINC000032760033 557315295 /nfs/dbraw/zinc/31/52/95/557315295.db2.gz SZEOJMKWYJSNPC-UHFFFAOYSA-N 0 0 447.538 3.760 50 0 IHAARN CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC(N)=O)O[C@@H](C)C2 ZINC000032905723 557317460 /nfs/dbraw/zinc/31/74/60/557317460.db2.gz ZMGOAZSUQCHMNY-LBPRGKRZSA-N 0 0 430.555 3.506 50 0 IHAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@@H](NC(C)=O)c1ccccc1Cl ZINC000032922402 557318195 /nfs/dbraw/zinc/31/81/95/557318195.db2.gz OOBICZKQSHDUKR-QGZVFWFLSA-N 0 0 430.892 3.989 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1ccncc1)C[C@H](C)CC2 ZINC000032928498 557318533 /nfs/dbraw/zinc/31/85/33/557318533.db2.gz SLEVZXJUEJLMKC-HZRUHFOJSA-N 0 0 428.510 3.640 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000032975644 557319969 /nfs/dbraw/zinc/31/99/69/557319969.db2.gz XZQOPEOFLHTPHE-BGYRXZFFSA-N 0 0 432.586 3.623 50 0 IHAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc(C)n(C(C)C)c2C)n1 ZINC000032950481 557320298 /nfs/dbraw/zinc/32/02/98/557320298.db2.gz ACWJTZPOYRDLCQ-UHFFFAOYSA-N 0 0 426.473 3.616 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1C ZINC000014360619 557336269 /nfs/dbraw/zinc/33/62/69/557336269.db2.gz PROXZVXSXCRXLR-UHFFFAOYSA-N 0 0 441.311 3.631 50 0 IHAARN Cc1cccc(Cn2c(SCc3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000839501 557337253 /nfs/dbraw/zinc/33/72/53/557337253.db2.gz JXKBKZWTQVGIAK-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 biogenic,in-vitro IHAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000014403425 557337548 /nfs/dbraw/zinc/33/75/48/557337548.db2.gz RUFBJGZMMQGGDK-SFHVURJKSA-N 0 0 435.286 3.502 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@@H](C)O1 ZINC000014429975 557337745 /nfs/dbraw/zinc/33/77/45/557337745.db2.gz XHXITPYKOYXGCN-ZIAGYGMSSA-N 0 0 442.459 3.756 50 0 IHAARN Cc1nc(-n2nc(C)c(Cc3ccccc3Cl)c2C)sc1C(=O)N1CCOCC1 ZINC000014608899 557344854 /nfs/dbraw/zinc/34/48/54/557344854.db2.gz YBDVDMUGPSXERZ-UHFFFAOYSA-N 0 0 430.961 3.971 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ncnc3c1cnn3C)CCCC2 ZINC000011678056 557350999 /nfs/dbraw/zinc/35/09/99/557350999.db2.gz ZZWIVLZKIWBINX-NSHDSACASA-N 0 0 445.570 3.600 50 0 IHAARN Cc1nc(CN2CCN(C(=O)c3ccc(OCc4cn5ccccc5n4)cc3)CC2)cs1 ZINC000023460147 557360385 /nfs/dbraw/zinc/36/03/85/557360385.db2.gz BFGIBOKAIOUXKE-UHFFFAOYSA-N 0 0 447.564 3.636 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)n2n1 ZINC000023529997 557365453 /nfs/dbraw/zinc/36/54/53/557365453.db2.gz JJKQHZSMIKBLGS-UHFFFAOYSA-N 0 0 448.354 3.991 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000102680743 557368301 /nfs/dbraw/zinc/36/83/01/557368301.db2.gz MNDQEJIRPBOIAS-ZCNNSNEGSA-N 0 0 446.334 3.928 50 0 IHAARN COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N ZINC000011691840 557384771 /nfs/dbraw/zinc/38/47/71/557384771.db2.gz GDAVVMIPDRIOPY-UHFFFAOYSA-N 0 0 427.262 3.646 50 0 IHAARN COc1ccc([C@@H]2CC(c3cccc(Br)c3)=Nc3nnnn32)c(OC)c1OC ZINC000102794024 557388427 /nfs/dbraw/zinc/38/84/27/557388427.db2.gz IFYQOXUYFVGGAE-HNNXBMFYSA-N 0 0 444.289 3.517 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 ZINC000024023164 557391600 /nfs/dbraw/zinc/39/16/00/557391600.db2.gz QYPUWTFKGHCUNN-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN O=C(NCCCn1ccnc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 ZINC000011694454 557392368 /nfs/dbraw/zinc/39/23/68/557392368.db2.gz IEEFPFKEACYIGL-UHFFFAOYSA-N 0 0 437.450 3.746 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)c1 ZINC000011694828 557392915 /nfs/dbraw/zinc/39/29/15/557392915.db2.gz FTMPJZDZMYJWJV-QQGDVQBRSA-N 0 0 427.892 3.607 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000013955984 557397911 /nfs/dbraw/zinc/39/79/11/557397911.db2.gz WFWKNZLIKFWGFU-MJGOQNOKSA-N 0 0 443.617 3.883 50 0 IHAARN COCCNC(=O)CCC(=O)Nc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)cc(C)c2c1 ZINC000004881814 557401149 /nfs/dbraw/zinc/40/11/49/557401149.db2.gz CBZLUCXROYIUJI-IAGOWNOFSA-N 0 0 426.561 3.507 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102914510 557412357 /nfs/dbraw/zinc/41/23/57/557412357.db2.gz JYKHCZXIQIKLBM-PCCBWWKXSA-N 0 0 448.500 3.894 50 0 IHAARN COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(C)o4)[C@@H]3C2=O)cc1 ZINC000102914497 557412384 /nfs/dbraw/zinc/41/23/84/557412384.db2.gz OCZMTJMEJFNJHE-FDFHNCONSA-N 0 0 446.459 3.734 50 0 IHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000102931176 557412805 /nfs/dbraw/zinc/41/28/05/557412805.db2.gz AAIYPRXAORXJLO-OAHLLOKOSA-N 0 0 439.393 3.652 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103588252 557439712 /nfs/dbraw/zinc/43/97/12/557439712.db2.gz BAZJKDYIWBGCDB-YTFSRNRJSA-N 0 0 443.478 3.702 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000103588173 557439898 /nfs/dbraw/zinc/43/98/98/557439898.db2.gz CFXKFDBVNRLNNP-YTFSRNRJSA-N 0 0 443.478 3.702 50 0 IHAARN Cc1ccc(CN2C(=O)N[C@]3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)C2=O)cc1 ZINC000097943851 557453484 /nfs/dbraw/zinc/45/34/84/557453484.db2.gz DYHBXTPPPRCQAL-QFIPXVFZSA-N 0 0 429.879 3.514 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)c(Cl)c1Cl ZINC000104571041 557456691 /nfs/dbraw/zinc/45/66/91/557456691.db2.gz PZMMXUDBNCNWLI-UHFFFAOYSA-N 0 0 434.326 3.934 50 0 IHAARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc1OC ZINC000104679800 557457739 /nfs/dbraw/zinc/45/77/39/557457739.db2.gz CUZLBAZLOSHESZ-LGMDPLHJSA-N 0 0 446.503 3.984 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1Cl ZINC000085690593 557458899 /nfs/dbraw/zinc/45/88/99/557458899.db2.gz KNXPOLPHJBRMMM-HNNXBMFYSA-N 0 0 439.903 3.625 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000104817760 557462283 /nfs/dbraw/zinc/46/22/83/557462283.db2.gz VWCANZNBNULTDG-NFBKMPQASA-N 0 0 439.581 3.620 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000051316422 557464465 /nfs/dbraw/zinc/46/44/65/557464465.db2.gz SAFSCJBALHYBLI-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000051316442 557464496 /nfs/dbraw/zinc/46/44/96/557464496.db2.gz GVGYRZQFGMYITK-UHFFFAOYSA-N 0 0 449.536 3.855 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1Cl ZINC000051316714 557464680 /nfs/dbraw/zinc/46/46/80/557464680.db2.gz AHEBWUWJWSBNEN-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000105009763 557471956 /nfs/dbraw/zinc/47/19/56/557471956.db2.gz CJPSMETXTZBKLW-XZOQPEGZSA-N 0 0 437.515 3.921 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F ZINC000105010360 557471969 /nfs/dbraw/zinc/47/19/69/557471969.db2.gz LXPJIBQIFKAYPI-XZOQPEGZSA-N 0 0 437.515 3.921 50 0 IHAARN Cc1cc(C)c(C(=O)COC(=O)[C@@H](NS(=O)(=O)C=Cc2ccccc2)C(C)C)cc1C ZINC000003355782 557525916 /nfs/dbraw/zinc/52/59/16/557525916.db2.gz GBICXYKPBAQIMG-RGPPVUSESA-N 0 0 443.565 3.953 50 0 IHAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000211076509 557533358 /nfs/dbraw/zinc/53/33/58/557533358.db2.gz ZTWDJJJMSQINCM-UHFFFAOYSA-N 0 0 446.882 3.537 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000107346437 557535484 /nfs/dbraw/zinc/53/54/84/557535484.db2.gz OIEOGNFCVSHFHM-SPYBWZPUSA-N 0 0 425.529 3.802 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)s2)CC1 ZINC000085806711 557536494 /nfs/dbraw/zinc/53/64/94/557536494.db2.gz DSRGHKXEFVMWOP-UHFFFAOYSA-N 0 0 431.583 3.509 50 0 IHAARN CN(C(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)c1cccc(Cl)c1 ZINC000044839773 557539065 /nfs/dbraw/zinc/53/90/65/557539065.db2.gz YRLKQLWPAIHVJB-UHFFFAOYSA-N 0 0 447.922 3.722 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000108322904 557542468 /nfs/dbraw/zinc/54/24/68/557542468.db2.gz RVEDZZUDBQELOL-RLFYNMQTSA-N 0 0 441.494 3.943 50 0 IHAARN 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COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1nnc(C)n1C1CC1 ZINC000225726007 557769179 /nfs/dbraw/zinc/76/91/79/557769179.db2.gz REUIOTFJESVTLF-LJQANCHMSA-N 0 0 427.549 3.724 50 0 IHAARN CC(C)NC(=O)Nc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000225769982 557775357 /nfs/dbraw/zinc/77/53/57/557775357.db2.gz PGXAWXDUQMOUPI-SFHVURJKSA-N 0 0 432.565 3.982 50 0 IHAARN COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)Cc2csc(-c3cccc(F)c3)n2)nn1 ZINC000225857024 557785976 /nfs/dbraw/zinc/78/59/76/557785976.db2.gz FIBOSYMKZCNPBI-QZTJIDSGSA-N 0 0 444.488 3.597 50 0 IHAARN Cc1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C(=O)Nc1ccccc1Br ZINC000227156041 557812561 /nfs/dbraw/zinc/81/25/61/557812561.db2.gz UDSWNLQQMASHQR-LBPRGKRZSA-N 0 0 448.342 3.960 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000000858127 557831574 /nfs/dbraw/zinc/83/15/74/557831574.db2.gz DJXIDXJNZNOLFN-ZDUSSCGKSA-N 0 0 426.279 3.596 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1Br ZINC000231428745 557836087 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Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2Cl)cc1Cl ZINC000003363341 562934849 /nfs/dbraw/zinc/93/48/49/562934849.db2.gz MNARHSGRWBZYML-UHFFFAOYSA-N 0 0 444.384 3.784 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003445038 562935959 /nfs/dbraw/zinc/93/59/59/562935959.db2.gz VBXWPSPCBNNMTC-UHFFFAOYSA-N 0 0 441.665 3.601 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003532843 562936363 /nfs/dbraw/zinc/93/63/63/562936363.db2.gz FMTQXCHCCAADGX-KRWDZBQOSA-N 0 0 428.432 3.767 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000003552811 562936429 /nfs/dbraw/zinc/93/64/29/562936429.db2.gz WJBMCCTUCXAWDQ-UHFFFAOYSA-N 0 0 428.539 3.801 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)C1 ZINC000004005018 562940721 /nfs/dbraw/zinc/94/07/21/562940721.db2.gz WVQYILYLXAARSR-INIZCTEOSA-N 0 0 427.526 3.795 50 0 IHAARN COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2)cc1OC ZINC000004034357 562940817 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COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000008610436 562958195 /nfs/dbraw/zinc/95/81/95/562958195.db2.gz FYFBYVLYFSONAE-UHFFFAOYSA-N 0 0 439.946 3.526 50 0 IHAARN CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 ZINC000008613661 562959414 /nfs/dbraw/zinc/95/94/14/562959414.db2.gz ROHSKRIMMZCYFM-UHFFFAOYSA-N 0 0 449.891 3.894 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1cccc(Cl)c1 ZINC000008614866 562959672 /nfs/dbraw/zinc/95/96/72/562959672.db2.gz VTLVBTWMYMLOMN-UHFFFAOYSA-N 0 0 426.929 3.560 50 0 IHAARN CCCn1c2nnc(CCCC(=O)Nc3ccc(C)c(F)c3)n2c2ccsc2c1=O ZINC000008619024 562959813 /nfs/dbraw/zinc/95/98/13/562959813.db2.gz NXWUHZCHCBEYKJ-UHFFFAOYSA-N 0 0 427.505 3.925 50 0 IHAARN COc1ccc(CCNC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)cc1OC ZINC000008619561 562959928 /nfs/dbraw/zinc/95/99/28/562959928.db2.gz VKKZMWKATGVPMA-UHFFFAOYSA-N 0 0 432.933 3.593 50 0 IHAARN Cc1ccc2nc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)cc(=O)n2c1 ZINC000008619638 562959956 /nfs/dbraw/zinc/95/99/56/562959956.db2.gz UUJYHKSUQPTAHY-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN COC(=O)/C=C1\C(=O)N(c2nc3ccc(OC)cc3s2)C(=S)N1c1ccc(F)cc1 ZINC000008644063 562960148 /nfs/dbraw/zinc/96/01/48/562960148.db2.gz UCIHHJHSASXYSP-XNTDXEJSSA-N 0 0 443.481 3.639 50 0 IHAARN COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc(C)cc(C)n1 ZINC000008654625 562960208 /nfs/dbraw/zinc/96/02/08/562960208.db2.gz NTDHRKVALLRDPX-HNNXBMFYSA-N 0 0 442.317 3.833 50 0 IHAARN CCOC(=O)[C@H](CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC000008670737 562960699 /nfs/dbraw/zinc/96/06/99/562960699.db2.gz WOOJBAVJNNRNPS-AWEZNQCLSA-N 0 0 446.363 3.821 50 0 IHAARN COc1cc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc(OC)c1 ZINC000008687242 562962970 /nfs/dbraw/zinc/96/29/70/562962970.db2.gz XJMMEPRMKHXSIP-UHFFFAOYSA-N 0 0 435.509 3.623 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000008690707 562963269 /nfs/dbraw/zinc/96/32/69/562963269.db2.gz OLSKSELNRGSAFZ-UHFFFAOYSA-N 0 0 439.512 3.687 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)Cn1ncc3c1-c1cc(C)ccc1OC3)CC2 ZINC000008828533 562964524 /nfs/dbraw/zinc/96/45/24/562964524.db2.gz CDYFCGLOQBEAPG-INIZCTEOSA-N 0 0 433.508 3.914 50 0 IHAARN Cc1ccc(N(C)C(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1 ZINC000008912979 562965974 /nfs/dbraw/zinc/96/59/74/562965974.db2.gz QLKMNRDXFCGLLO-UHFFFAOYSA-N 0 0 431.536 3.716 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000009096774 562967016 /nfs/dbraw/zinc/96/70/16/562967016.db2.gz CMWMSMHAXFOQND-UHFFFAOYSA-N 0 0 444.553 3.520 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1 ZINC000009269030 562968680 /nfs/dbraw/zinc/96/86/80/562968680.db2.gz MKCLFRKEDBANLO-UHFFFAOYSA-N 0 0 430.526 3.751 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(OC)ccc4OC)CC3)n2)cc1 ZINC000009405500 562970053 /nfs/dbraw/zinc/97/00/53/562970053.db2.gz XKYTXEYXDJWAIM-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN CCn1c2nc(C)n(CC(=O)Nc3cccc(Br)c3)c(=O)c2sc1=S ZINC000009410106 562970243 /nfs/dbraw/zinc/97/02/43/562970243.db2.gz IQJDFMHZXMJOQP-UHFFFAOYSA-N 0 0 439.360 3.719 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(OC)cc2)c1 ZINC000009493312 562972138 /nfs/dbraw/zinc/97/21/38/562972138.db2.gz COWSKXNPUSKMRX-UHFFFAOYSA-N 0 0 445.585 3.507 50 0 IHAARN CCOc1ccc(C(=O)NCC(=O)OCCCC(=O)c2ccc(F)cc2)cc1OCC ZINC000009539952 562973075 /nfs/dbraw/zinc/97/30/75/562973075.db2.gz ZTFPVZIQBHWIFY-UHFFFAOYSA-N 0 0 431.460 3.559 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccccc2OC)c1 ZINC000009613550 562974226 /nfs/dbraw/zinc/97/42/26/562974226.db2.gz RTARXUAXNQFDGD-UHFFFAOYSA-N 0 0 431.558 3.578 50 0 IHAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000009625017 562974293 /nfs/dbraw/zinc/97/42/93/562974293.db2.gz GMMIAGRMABIORI-SFHVURJKSA-N 0 0 446.569 3.502 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009632352 562974493 /nfs/dbraw/zinc/97/44/93/562974493.db2.gz BPQWWTVGSXFQNE-OAQYLSRUSA-N 0 0 444.553 3.671 50 0 IHAARN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000009640447 562974666 /nfs/dbraw/zinc/97/46/66/562974666.db2.gz CPBFGZUOJZMGQG-GOSISDBHSA-N 0 0 438.549 3.707 50 0 IHAARN O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)Nc1ccccc1F ZINC000009761503 562976612 /nfs/dbraw/zinc/97/66/12/562976612.db2.gz CFYIRFMUYXVOAG-UHFFFAOYSA-N 0 0 434.290 3.865 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1C ZINC000009765654 562976677 /nfs/dbraw/zinc/97/66/77/562976677.db2.gz ZFEIGFQEHRQEJG-UHFFFAOYSA-N 0 0 439.519 3.979 50 0 IHAARN COc1cccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000009798818 562977003 /nfs/dbraw/zinc/97/70/03/562977003.db2.gz VZMSZPYAJYTVSN-NTCAYCPXSA-N 0 0 442.581 3.932 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000009865714 562977649 /nfs/dbraw/zinc/97/76/49/562977649.db2.gz XGNIBCOXSXCGFU-UHFFFAOYSA-N 0 0 426.476 3.731 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000010327568 562978591 /nfs/dbraw/zinc/97/85/91/562978591.db2.gz GEGWGXFPVOQJCX-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1 ZINC000012836444 562983128 /nfs/dbraw/zinc/98/31/28/562983128.db2.gz UVTHQDKQHYMDFH-OAHLLOKOSA-N 0 0 431.558 3.566 50 0 IHAARN O=S1(=O)CCN(CCc2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 ZINC000020386342 563024753 /nfs/dbraw/zinc/02/47/53/563024753.db2.gz NLMSSDNUQFNYRY-UHFFFAOYSA-N 0 0 436.499 3.981 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)cc1OC ZINC000036091441 563090988 /nfs/dbraw/zinc/09/09/88/563090988.db2.gz RCMAAODXWJDDFR-RKRQYJECSA-N 0 0 448.585 3.857 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370267 563093519 /nfs/dbraw/zinc/09/35/19/563093519.db2.gz PJYXONGMKTZDLZ-AUSIDOKSSA-N 0 0 441.622 3.978 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO ZINC000036385620 563094460 /nfs/dbraw/zinc/09/44/60/563094460.db2.gz GVXIPHFHZWKCAH-XMMPIXPASA-N 0 0 434.584 3.555 50 0 IHAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000036447019 563095290 /nfs/dbraw/zinc/09/52/90/563095290.db2.gz UVZCRNWKIBZWSQ-DEOSSOPVSA-N 0 0 449.576 3.681 50 0 IHAARN COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c4c(nn32)nc(C)cc4C)CC1 ZINC000054284460 563142195 /nfs/dbraw/zinc/14/21/95/563142195.db2.gz GFZHYQKRYWZHJJ-UHFFFAOYSA-N 0 0 434.519 3.673 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCn3c4ccccc4nc32)c1 ZINC000018921939 568627260 /nfs/dbraw/zinc/62/72/60/568627260.db2.gz CBZMEYFVQZKEDE-UHFFFAOYSA-N 0 0 443.598 3.592 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccccc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015068221 568635283 /nfs/dbraw/zinc/63/52/83/568635283.db2.gz HDKNQMRVVNBYPV-QFIPXVFZSA-N 0 0 437.559 3.803 50 0 IHAARN CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000254478419 568644592 /nfs/dbraw/zinc/64/45/92/568644592.db2.gz FPDXMWHJGOCDQJ-CLAATEIOSA-N 0 0 436.633 3.927 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(CC(=O)OCC(C)C)c(=O)c12 ZINC000000958434 568646185 /nfs/dbraw/zinc/64/61/85/568646185.db2.gz JIPYMAFBEPJRPC-UHFFFAOYSA-N 0 0 427.526 3.835 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OC)sc2c1CC[C@@H](C)C2 ZINC000000954964 568647235 /nfs/dbraw/zinc/64/72/35/568647235.db2.gz FUVZJVBIPNSUDC-CYBMUJFWSA-N 0 0 431.510 3.854 50 0 IHAARN CC(=O)Oc1cccc(N2C(=O)c3ccc(-c4nc5c(C)cccc5c(=O)o4)cc3C2=O)c1 ZINC000000975237 568648062 /nfs/dbraw/zinc/64/80/62/568648062.db2.gz QLMSYDMURPJWKE-UHFFFAOYSA-N 0 0 440.411 3.889 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000025222424 568648538 /nfs/dbraw/zinc/64/85/38/568648538.db2.gz QCUYCQBCXVYPIP-UHFFFAOYSA-N 0 0 438.311 3.597 50 0 IHAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000001094929 568658623 /nfs/dbraw/zinc/65/86/23/568658623.db2.gz NGGXVYFPBBLOPV-UHFFFAOYSA-N 0 0 440.502 3.888 50 0 IHAARN Cc1c(/N=c2\scc(-c3ccc(Cl)cc3)n2CCO)c(=O)n(-c2ccccc2)n1C ZINC000015225584 568733820 /nfs/dbraw/zinc/73/38/20/568733820.db2.gz NZWNKTJFGQWCDU-GYHWCHFESA-N 0 0 440.956 3.893 50 0 IHAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000031602196 568740888 /nfs/dbraw/zinc/74/08/88/568740888.db2.gz YILTYAQPBHLLMM-INIZCTEOSA-N 0 0 434.512 3.640 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000003239736 568743543 /nfs/dbraw/zinc/74/35/43/568743543.db2.gz HJCWFOUQJYKZKL-UHFFFAOYSA-N 0 0 443.443 3.776 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000003270137 568744590 /nfs/dbraw/zinc/74/45/90/568744590.db2.gz WTMUBYSKQURACI-NRFANRHFSA-N 0 0 434.323 3.553 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 ZINC000043981846 568745009 /nfs/dbraw/zinc/74/50/09/568745009.db2.gz WSONNOBUSFNUPJ-UHFFFAOYSA-N 0 0 431.920 3.788 50 0 IHAARN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 ZINC000003296500 568745355 /nfs/dbraw/zinc/74/53/55/568745355.db2.gz ZEWBUXYVLVNDOH-INIZCTEOSA-N 0 0 441.534 3.658 50 0 IHAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000003308594 568745600 /nfs/dbraw/zinc/74/56/00/568745600.db2.gz ZBLBLFIVOVCNRQ-SFHVURJKSA-N 0 0 425.510 3.640 50 0 IHAARN O=C(Nc1ccc(F)cc1)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000044005803 568745656 /nfs/dbraw/zinc/74/56/56/568745656.db2.gz ZNRAZKFWDUEGPF-UHFFFAOYSA-N 0 0 439.531 3.934 50 0 IHAARN COC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)NCc3ccc(OC)cc3)c2c1C ZINC000003309553 568745827 /nfs/dbraw/zinc/74/58/27/568745827.db2.gz QAAPNFMDXWZIPV-LBPRGKRZSA-N 0 0 445.566 3.900 50 0 IHAARN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OC ZINC000003434136 568749391 /nfs/dbraw/zinc/74/93/91/568749391.db2.gz VEQQEKHYUVTLGG-UHFFFAOYSA-N 0 0 444.347 3.686 50 0 IHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C1 ZINC000044272999 568750317 /nfs/dbraw/zinc/75/03/17/568750317.db2.gz ITEUKUJKJGEHBI-KBPBESRZSA-N 0 0 430.555 3.610 50 0 IHAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000003519343 568750505 /nfs/dbraw/zinc/75/05/05/568750505.db2.gz CEUPEPLFCFCJLC-BKMJKUGQSA-N 0 0 427.504 3.801 50 0 IHAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000003594537 568751417 /nfs/dbraw/zinc/75/14/17/568751417.db2.gz YKEKTYIXLJBVOI-SFHVURJKSA-N 0 0 436.693 3.508 50 0 IHAARN COc1ccc([C@@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000003614786 568751574 /nfs/dbraw/zinc/75/15/74/568751574.db2.gz JKTUFJJXCCZDHK-JOCHJYFZSA-N 0 0 438.505 3.567 50 0 IHAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OC(C)=O)c(=O)n3n2)cc1 ZINC000003649031 568752664 /nfs/dbraw/zinc/75/26/64/568752664.db2.gz WPVLQELNSICGJS-QNGOZBTKSA-N 0 0 449.532 3.860 50 0 IHAARN O=C(NC1CCCCC1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 ZINC000299757930 568755500 /nfs/dbraw/zinc/75/55/00/568755500.db2.gz LKDCGPAAFMTIRE-LJQANCHMSA-N 0 0 446.551 3.543 50 0 IHAARN Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)CCc2c[nH]c4ccccc24)CC3)n1 ZINC000299779109 568757040 /nfs/dbraw/zinc/75/70/40/568757040.db2.gz SMYFOPKDDZYNME-QFIPXVFZSA-N 0 0 430.552 3.749 50 0 IHAARN CN1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000299804257 568758143 /nfs/dbraw/zinc/75/81/43/568758143.db2.gz LTWXYDRMEPGMLU-QTJGBDASSA-N 0 0 426.472 3.730 50 0 IHAARN O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1)N1CCCC1 ZINC000299802033 568758147 /nfs/dbraw/zinc/75/81/47/568758147.db2.gz RFCUCFUSTDINNY-MRXNPFEDSA-N 0 0 437.927 3.979 50 0 IHAARN Cc1c(C)[n+]([O-])c([C@@H](C2CCCCC2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587085 568760215 /nfs/dbraw/zinc/76/02/15/568760215.db2.gz BYGGGGYCALORCC-FQEVSTJZSA-N 0 0 440.540 3.903 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073307 568760473 /nfs/dbraw/zinc/76/04/73/568760473.db2.gz HHJIRPBCFIQOJU-MIAKESKMSA-N 0 0 427.541 3.975 50 0 biogenic IHAARN COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015391026 568761345 /nfs/dbraw/zinc/76/13/45/568761345.db2.gz OTBGWWCXTQSNMF-GOSISDBHSA-N 0 0 436.961 3.598 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000015391390 568761580 /nfs/dbraw/zinc/76/15/80/568761580.db2.gz RLBISXBSSNSYAX-UHFFFAOYSA-N 0 0 441.296 3.546 50 0 IHAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000001263824 568775478 /nfs/dbraw/zinc/77/54/78/568775478.db2.gz FNPPGKGNCFPQEG-UHFFFAOYSA-N 0 0 448.548 3.677 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(Br)cc4)ccn3n2)c1 ZINC000263615786 568776134 /nfs/dbraw/zinc/77/61/34/568776134.db2.gz FFGVTORPIFBPRU-FQEVSTJZSA-N 0 0 440.297 3.668 50 0 IHAARN O=c1c2cc(-c3cccc(Br)c3)nn2ccn1C[C@H](O)c1ccc(F)cc1 ZINC000263616423 568776691 /nfs/dbraw/zinc/77/66/91/568776691.db2.gz IOVHWRGPYBFCPI-IBGZPJMESA-N 0 0 428.261 3.798 50 0 IHAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC)cc5OC)no4)cc3CO2)cc1 ZINC000263618667 568777619 /nfs/dbraw/zinc/77/76/19/568777619.db2.gz UXBDNVJBFJFQGX-NRFANRHFSA-N 0 0 434.452 3.897 50 0 IHAARN Cn1c2nnc(SCCc3ccccc3)n2c2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001299851 568778980 /nfs/dbraw/zinc/77/89/80/568778980.db2.gz BOCBWSRIHTYCFU-UHFFFAOYSA-N 0 0 426.567 3.829 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 ZINC000025768111 568779700 /nfs/dbraw/zinc/77/97/00/568779700.db2.gz ZMBAOSOFYMMNAO-INIZCTEOSA-N 0 0 448.566 3.890 50 0 IHAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032103741 568781016 /nfs/dbraw/zinc/78/10/16/568781016.db2.gz GHEYURZWGWGAAM-FQEVSTJZSA-N 0 0 448.445 3.928 50 0 IHAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000004127338 568781093 /nfs/dbraw/zinc/78/10/93/568781093.db2.gz OXHIKTRZTJORNN-GRIAEXQCSA-N 0 0 431.495 4.000 50 0 IHAARN COC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)c1ccoc1)c(C(=O)OC)n2CC(C)C ZINC000014745441 568781506 /nfs/dbraw/zinc/78/15/06/568781506.db2.gz VVTDQVXUMFLCGJ-CQSZACIVSA-N 0 0 428.489 3.771 50 0 IHAARN Cc1cccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c1 ZINC000045896509 568783061 /nfs/dbraw/zinc/78/30/61/568783061.db2.gz PDQWSIRDQXLIIA-UHFFFAOYSA-N 0 0 445.519 3.600 50 0 IHAARN C[C@@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391976 568785372 /nfs/dbraw/zinc/78/53/72/568785372.db2.gz UBUNVIARSXBIGL-QGZVFWFLSA-N 0 0 435.851 3.663 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000001398783 568785660 /nfs/dbraw/zinc/78/56/60/568785660.db2.gz ZSIIUBBPSDEPIR-UHFFFAOYSA-N 0 0 438.372 3.570 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401312 568786304 /nfs/dbraw/zinc/78/63/04/568786304.db2.gz VUWLAAFWMJSVRV-MRXNPFEDSA-N 0 0 443.750 3.894 50 0 IHAARN COc1ccc(C[C@@H](CO)CNC(=O)CCc2cccc(OC3CCCC3)c2)cc1O ZINC000083957466 568787084 /nfs/dbraw/zinc/78/70/84/568787084.db2.gz RZZUXIDVZIINNA-HXUWFJFHSA-N 0 0 427.541 3.622 50 0 IHAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OC[C@@H]4CCCO4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000001422008 568793184 /nfs/dbraw/zinc/79/31/84/568793184.db2.gz OGMHQPXXLYTHDT-ZBFHGGJFSA-N 0 0 443.496 3.597 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(I)cc1 ZINC000015502015 568795016 /nfs/dbraw/zinc/79/50/16/568795016.db2.gz YVOCMLPEMWZWOG-UHFFFAOYSA-N 0 0 437.233 3.664 50 0 IHAARN Cc1c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)nnn1-c1ccc(C)cc1 ZINC000084174830 568795586 /nfs/dbraw/zinc/79/55/86/568795586.db2.gz QWHZJCRHUQKERF-LJQANCHMSA-N 0 0 441.329 3.860 50 0 IHAARN COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccn3c[nH+]cc3c2)ccc1C ZINC000084190143 568796022 /nfs/dbraw/zinc/79/60/22/568796022.db2.gz PSXLNJSBXDNGET-UHFFFAOYSA-N 0 0 436.493 3.704 50 0 IHAARN Cc1ccn2cc(CNC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000084250796 568796452 /nfs/dbraw/zinc/79/64/52/568796452.db2.gz XBKPVVBKVRNFSG-HXUWFJFHSA-N 0 0 427.346 3.859 50 0 IHAARN Cc1noc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)C2)n1 ZINC000084286587 568796756 /nfs/dbraw/zinc/79/67/56/568796756.db2.gz AYBDMBDWYYOMLD-GOSISDBHSA-N 0 0 438.553 3.963 50 0 IHAARN O=C(COC(=O)c1c[nH]c2ccc(Br)cc12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000084451719 568797856 /nfs/dbraw/zinc/79/78/56/568797856.db2.gz MPSHQUGWCGONGJ-SNVBAGLBSA-N 0 0 433.224 3.888 50 0 IHAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000084490116 568798099 /nfs/dbraw/zinc/79/80/99/568798099.db2.gz YNZWLLYOPGWACX-KRWDZBQOSA-N 0 0 441.336 3.720 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C ZINC000015564802 568798348 /nfs/dbraw/zinc/79/83/48/568798348.db2.gz KKAXZNAOMGHHJF-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN O=C(CN1c2ccccc2OCCC1=O)NC1(c2cccc(Br)c2)CCC1 ZINC000084582113 568798937 /nfs/dbraw/zinc/79/89/37/568798937.db2.gz PVGKLPXETNQJHV-UHFFFAOYSA-N 0 0 429.314 3.760 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cn1cccn1 ZINC000084647828 568799507 /nfs/dbraw/zinc/79/95/07/568799507.db2.gz DIQNDMYLRJGJMK-MBSDFSHPSA-N 0 0 435.524 3.989 50 0 IHAARN C[C@H]1CN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(C)(C)O1 ZINC000084705703 568800058 /nfs/dbraw/zinc/80/00/58/568800058.db2.gz WYDANFBJOUJGBJ-ZDUSSCGKSA-N 0 0 435.318 3.863 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2c1C ZINC000084795584 568801450 /nfs/dbraw/zinc/80/14/50/568801450.db2.gz UTQUVGNEULOPIQ-AWEZNQCLSA-N 0 0 444.601 3.960 50 0 IHAARN CCOc1ccc(Cl)c(C(=O)Nc2cc(Br)ccc2N2CCOCC2)n1 ZINC000084807868 568801762 /nfs/dbraw/zinc/80/17/62/568801762.db2.gz SLSCJRYDCULXSC-UHFFFAOYSA-N 0 0 440.725 3.985 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC)n2)c1 ZINC000015670465 568802001 /nfs/dbraw/zinc/80/20/01/568802001.db2.gz ZBEHYICKIBYSTH-SFHVURJKSA-N 0 0 442.479 3.524 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(F)c3F)n2)c1 ZINC000015670529 568802557 /nfs/dbraw/zinc/80/25/57/568802557.db2.gz NEHQHIULLUWZMD-INIZCTEOSA-N 0 0 448.433 3.794 50 0 IHAARN COc1ccc(CN(C(=O)Nc2ccc(OC)cc2OC)C2CCN(C(C)=O)CC2)cc1 ZINC000015679704 568805605 /nfs/dbraw/zinc/80/56/05/568805605.db2.gz SOCUGEFTVWXNPA-UHFFFAOYSA-N 0 0 441.528 3.757 50 0 IHAARN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(Cc2ccccc2)CC1 ZINC000015681560 568806650 /nfs/dbraw/zinc/80/66/50/568806650.db2.gz QRHPVTLVEOLIIU-UHFFFAOYSA-N 0 0 429.499 3.760 50 0 IHAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)c4cc(-c5cccs5)n[nH]4)CC3)c2c1 ZINC000015729878 568813687 /nfs/dbraw/zinc/81/36/87/568813687.db2.gz OYKWXUQECMGOFB-UHFFFAOYSA-N 0 0 437.550 3.655 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012809321 568813890 /nfs/dbraw/zinc/81/38/90/568813890.db2.gz RZDKLNYCXVKROI-KROKWJMESA-N 0 0 437.584 3.669 50 0 IHAARN C[C@@H]1CCCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)C1 ZINC000015732580 568815407 /nfs/dbraw/zinc/81/54/07/568815407.db2.gz RZUIZIIRYGQPSF-OAHLLOKOSA-N 0 0 439.585 3.733 50 0 IHAARN CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C ZINC000015734397 568816280 /nfs/dbraw/zinc/81/62/80/568816280.db2.gz AXEGONLXGCDKNM-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN CCOC(=O)CCn1c2ccc(F)cc2c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000085392245 568817030 /nfs/dbraw/zinc/81/70/30/568817030.db2.gz IELCDOBCWIWGDH-UHFFFAOYSA-N 0 0 448.491 3.620 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(OC)c1OCc1ccccc1F ZINC000085413595 568818890 /nfs/dbraw/zinc/81/88/90/568818890.db2.gz GXQQVEWWWFSXQW-SIKLNZKXSA-N 0 0 440.423 3.741 50 0 IHAARN CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccccc1 ZINC000015768831 568822081 /nfs/dbraw/zinc/82/20/81/568822081.db2.gz BRQGLQNCJFEPDI-KRWDZBQOSA-N 0 0 440.565 3.591 50 0 IHAARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000006084912 568822091 /nfs/dbraw/zinc/82/20/91/568822091.db2.gz AWVKPVBNQIIUIH-UHFFFAOYSA-N 0 0 425.481 3.535 50 0 IHAARN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)ccc1OC ZINC000015770450 568822493 /nfs/dbraw/zinc/82/24/93/568822493.db2.gz BETBVPWDJKCGGC-MRXNPFEDSA-N 0 0 426.542 3.631 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)CC(C)C)cc2=O)s1 ZINC000015771954 568822657 /nfs/dbraw/zinc/82/26/57/568822657.db2.gz RJMZFEZJCJODKJ-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN O=S(=O)(c1cccc2nsnc21)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000085597028 568826023 /nfs/dbraw/zinc/82/60/23/568826023.db2.gz NZKSMGUWGSUSEF-UHFFFAOYSA-N 0 0 437.550 3.588 50 0 biogenic IHAARN COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccccc4C)no3)ccc2c1=O ZINC000085601896 568827280 /nfs/dbraw/zinc/82/72/80/568827280.db2.gz QSDNLWBSCHCVON-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000085643576 568829381 /nfs/dbraw/zinc/82/93/81/568829381.db2.gz OQRIEYRNELFOQC-UHFFFAOYSA-N 0 0 427.551 3.511 50 0 IHAARN COc1ccc2nc(NC(=O)CN3C(=O)CCc4cc(Br)ccc43)sc2c1 ZINC000015785287 568829616 /nfs/dbraw/zinc/82/96/16/568829616.db2.gz AHJQAYBMDVCBGB-UHFFFAOYSA-N 0 0 446.326 3.985 50 0 IHAARN Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)oc2c1 ZINC000085650061 568831251 /nfs/dbraw/zinc/83/12/51/568831251.db2.gz GTHCUKYZLDZRKZ-UHFFFAOYSA-N 0 0 427.570 3.841 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000085654648 568832959 /nfs/dbraw/zinc/83/29/59/568832959.db2.gz KMVBWHKVRZYEAY-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1 ZINC000001508731 568835569 /nfs/dbraw/zinc/83/55/69/568835569.db2.gz ZLXMFUTWCIGGSB-UHFFFAOYSA-N 0 0 427.412 3.730 50 0 IHAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)NCCc1ccccc1 ZINC000015823835 568840202 /nfs/dbraw/zinc/84/02/02/568840202.db2.gz QVCCRBUVJHVGQJ-UHFFFAOYSA-N 0 0 429.567 3.885 50 0 IHAARN CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025691588 568842587 /nfs/dbraw/zinc/84/25/87/568842587.db2.gz GLTFEOBFYYHUIV-FGZHOGPDSA-N 0 0 438.524 3.672 50 0 IHAARN COCO[C@@H]1[C@H]2CC[C@@](O)([C@@H](O)CCC(C)(C)[C@@H]1OCOCc1ccccc1)C2(C)C ZINC000039144633 568842927 /nfs/dbraw/zinc/84/29/27/568842927.db2.gz HEMXPOVWQSAUSE-LMPWSLQOSA-N 0 0 436.589 3.883 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 ZINC000248157854 568843846 /nfs/dbraw/zinc/84/38/46/568843846.db2.gz MZGVLPUBHKJFOJ-LWSSLDFYSA-N 0 0 435.483 3.757 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015861264 568848037 /nfs/dbraw/zinc/84/80/37/568848037.db2.gz OFYBRHUMYINSCP-GOSISDBHSA-N 0 0 427.353 3.853 50 0 IHAARN COc1cc(OC)c([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1OC ZINC000015866190 568850766 /nfs/dbraw/zinc/85/07/66/568850766.db2.gz VLNRABQNMDVEMK-LSDHHAIUSA-N 0 0 446.305 3.608 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000015868603 568851944 /nfs/dbraw/zinc/85/19/44/568851944.db2.gz YUPPRBXZWFXQIZ-QGZVFWFLSA-N 0 0 449.551 3.990 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)nc2-n2nc(C)cc2C)cc1 ZINC000015882745 568857235 /nfs/dbraw/zinc/85/72/35/568857235.db2.gz LFJOVMJLNLMPKD-UHFFFAOYSA-N 0 0 443.507 3.750 50 0 IHAARN COc1ccc(-c2ccc(OCCNC(=O)c3ccc(Br)cc3)nn2)cc1 ZINC000015884375 568858067 /nfs/dbraw/zinc/85/80/67/568858067.db2.gz DRLXDJOHVCRRMW-UHFFFAOYSA-N 0 0 428.286 3.724 50 0 IHAARN CC(C)Oc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000015921938 568858700 /nfs/dbraw/zinc/85/87/00/568858700.db2.gz VBZHZFMDCRDNKM-DEOSSOPVSA-N 0 0 445.519 3.613 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000015971632 568861414 /nfs/dbraw/zinc/86/14/14/568861414.db2.gz KGDBUUKQJOLCJU-XBCBRRGRSA-N 0 0 441.915 3.628 50 0 IHAARN Cc1c(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)cnn1-c1ccccc1 ZINC000575414568 568862290 /nfs/dbraw/zinc/86/22/90/568862290.db2.gz BNPPOCJPEVSYNN-OAQYLSRUSA-N 0 0 443.956 3.836 50 0 IHAARN O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414892 568862446 /nfs/dbraw/zinc/86/24/46/568862446.db2.gz OYLPCSFVYCOKFA-HXUWFJFHSA-N 0 0 432.517 3.544 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C ZINC000026154621 568866125 /nfs/dbraw/zinc/86/61/25/568866125.db2.gz HHJLIYXEUZIWQI-AWEZNQCLSA-N 0 0 437.462 3.829 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)ccc1Br ZINC000016083901 568869928 /nfs/dbraw/zinc/86/99/28/568869928.db2.gz DBDNZGKEPZNFQZ-UHFFFAOYSA-N 0 0 425.348 3.634 50 0 IHAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012940816 568869822 /nfs/dbraw/zinc/86/98/22/568869822.db2.gz VKXJISJMEQXYTL-QWHCGFSZSA-N 0 0 439.400 3.765 50 0 IHAARN CCc1nnc2c(Nc3ccc(N4CCN(C(=O)C(C)C)CC4)cc3)nc3ccccc3n12 ZINC000016162638 568871918 /nfs/dbraw/zinc/87/19/18/568871918.db2.gz LBOXRHFLLFLOJJ-UHFFFAOYSA-N 0 0 443.555 3.888 50 0 IHAARN O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000016297923 568876143 /nfs/dbraw/zinc/87/61/43/568876143.db2.gz HMJATFOEUZZXSF-UHFFFAOYSA-N 0 0 436.418 3.622 50 0 IHAARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc(Br)o1 ZINC000575607680 568878236 /nfs/dbraw/zinc/87/82/36/568878236.db2.gz PJLDMWUUJBPKGQ-UHFFFAOYSA-N 0 0 426.230 3.725 50 0 IHAARN O=C(c1cnn(-c2ccccc2)n1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000575614693 568881116 /nfs/dbraw/zinc/88/11/16/568881116.db2.gz BHLBGEGLECNOOW-UHFFFAOYSA-N 0 0 427.512 3.611 50 0 IHAARN COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCCn3ccnc3)c2c1 ZINC000006297673 568882254 /nfs/dbraw/zinc/88/22/54/568882254.db2.gz GLAIHJXEJYNBEA-UHFFFAOYSA-N 0 0 430.464 3.656 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)CC2=O)cc1C ZINC000575619469 568882954 /nfs/dbraw/zinc/88/29/54/568882954.db2.gz MHVGXVRTNLESDB-GBXCKJPGSA-N 0 0 428.536 3.564 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000009451927 568883419 /nfs/dbraw/zinc/88/34/19/568883419.db2.gz TYBYAPIGYJYMEO-WFEDQXDTSA-N 0 0 447.293 3.968 50 0 IHAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000229385321 568886486 /nfs/dbraw/zinc/88/64/86/568886486.db2.gz MIRIBSFCSZGVKW-ZHALLVOQSA-N 0 0 437.883 3.562 50 0 IHAARN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cccc(-c3csc(C)n3)c1)CS2 ZINC000090609867 568891591 /nfs/dbraw/zinc/89/15/91/568891591.db2.gz IKYPTIQESKVHME-HNNXBMFYSA-N 0 0 426.567 3.907 50 0 IHAARN Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccccc3C)c(=O)c2c1C ZINC000012979082 568891834 /nfs/dbraw/zinc/89/18/34/568891834.db2.gz YNOJIANCKUYCEZ-MRXNPFEDSA-N 0 0 443.594 3.760 50 0 IHAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012983354 568895254 /nfs/dbraw/zinc/89/52/54/568895254.db2.gz NVKMGXXJQYDYPM-UHFFFAOYSA-N 0 0 437.569 3.565 50 0 IHAARN CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000013001749 568898312 /nfs/dbraw/zinc/89/83/12/568898312.db2.gz FWMVOWPBPRPODA-UHFFFAOYSA-N 0 0 431.341 3.824 50 0 IHAARN COC(=O)c1cc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c(F)cc1F ZINC000013001718 568898334 /nfs/dbraw/zinc/89/83/34/568898334.db2.gz UPVBYDZGVUHUES-UHFFFAOYSA-N 0 0 442.184 3.593 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c1C ZINC000013005328 568899069 /nfs/dbraw/zinc/89/90/69/568899069.db2.gz KIIOCOCKYFKCHC-CQSZACIVSA-N 0 0 443.388 3.919 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000013006254 568899560 /nfs/dbraw/zinc/89/95/60/568899560.db2.gz XKEHWRVRDSOMOU-UHFFFAOYSA-N 0 0 428.286 3.994 50 0 IHAARN CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000013014713 568901301 /nfs/dbraw/zinc/90/13/01/568901301.db2.gz XMYVPSPHFLLAEM-UHFFFAOYSA-N 0 0 431.004 3.579 50 0 IHAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@H](C)O1 ZINC000013013992 568901615 /nfs/dbraw/zinc/90/16/15/568901615.db2.gz AKNCWVSFHYCAIJ-PHIMTYICSA-N 0 0 428.327 3.906 50 0 IHAARN CCOc1cc2c(cc1NC(=O)CSc1nncn1-c1ccc(OC)cc1)O[C@@H](C)C2 ZINC000026612397 568902757 /nfs/dbraw/zinc/90/27/57/568902757.db2.gz LSIMNWZRRYSQCO-AWEZNQCLSA-N 0 0 440.525 3.729 50 0 IHAARN O=C(CCCCCn1nnc2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253413773 568903351 /nfs/dbraw/zinc/90/33/51/568903351.db2.gz VQGMSODATXEYQM-QFIPXVFZSA-N 0 0 444.539 3.982 50 0 IHAARN C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)c1ccc(Cl)cc1 ZINC000239637055 568911707 /nfs/dbraw/zinc/91/17/07/568911707.db2.gz BIOLLDCAYLHMMT-LZYVBGRKSA-N 0 0 428.838 3.503 50 0 IHAARN COc1ccccc1N(CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000242302058 568912750 /nfs/dbraw/zinc/91/27/50/568912750.db2.gz YPFCQWXLVUUICW-QUCCMNQESA-N 0 0 430.570 3.894 50 0 IHAARN C[C@@H]1C[C@H](C)CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000245236244 568913075 /nfs/dbraw/zinc/91/30/75/568913075.db2.gz RCXIBGQGEIVURL-RWSFTLGLSA-N 0 0 444.167 3.821 50 0 IHAARN O=C(COc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1cccc2c1OCCO2 ZINC000026779955 568916845 /nfs/dbraw/zinc/91/68/45/568916845.db2.gz KUQDINBZXGZTSH-UHFFFAOYSA-N 0 0 447.443 3.515 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000006461705 568918417 /nfs/dbraw/zinc/91/84/17/568918417.db2.gz GKTLXYHFVCTQGI-JKALPCAWSA-N 0 0 438.574 3.593 50 0 IHAARN COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000089292044 568919851 /nfs/dbraw/zinc/91/98/51/568919851.db2.gz UTJXJOSDUYTGPW-NDEPHWFRSA-N 0 0 425.909 3.598 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000001917015 568922708 /nfs/dbraw/zinc/92/27/08/568922708.db2.gz VTEMNOLKXWYNDO-JOCHJYFZSA-N 0 0 430.460 3.642 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3C2=O)c1 ZINC000001960886 568924001 /nfs/dbraw/zinc/92/40/01/568924001.db2.gz ZNPCHEFWMRZUFQ-UHFFFAOYSA-N 0 0 442.471 3.577 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 ZINC000001981032 568924209 /nfs/dbraw/zinc/92/42/09/568924209.db2.gz NMRDGWNAGXAMKC-CYBMUJFWSA-N 0 0 429.498 3.540 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Br ZINC000000665570 568924590 /nfs/dbraw/zinc/92/45/90/568924590.db2.gz NCKRMFQGYOQMMJ-UHFFFAOYSA-N 0 0 445.766 3.622 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c(OC)c1OC ZINC000089435081 568924785 /nfs/dbraw/zinc/92/47/85/568924785.db2.gz YFQAIKSFBQVOJG-UHFFFAOYSA-N 0 0 436.911 3.786 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000016602372 568925096 /nfs/dbraw/zinc/92/50/96/568925096.db2.gz QSAQADAYTHZHSB-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCc1ccccc1 ZINC000089459640 568925758 /nfs/dbraw/zinc/92/57/58/568925758.db2.gz MYSYTWWICVFAJE-UHFFFAOYSA-N 0 0 434.583 3.742 50 0 IHAARN C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015180828 568928146 /nfs/dbraw/zinc/92/81/46/568928146.db2.gz LEZIDINFDFHDRP-JRQVOXCDSA-N 0 0 440.949 3.517 50 0 IHAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000064438466 568928234 /nfs/dbraw/zinc/92/82/34/568928234.db2.gz KPIOUHLWZBRKPN-UHFFFAOYSA-N 0 0 427.932 3.561 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1ncc2c(n1)-c1cc(OC)ccc1OC2 ZINC000064459684 568929355 /nfs/dbraw/zinc/92/93/55/568929355.db2.gz OREJSAIPFTWOFU-UHFFFAOYSA-N 0 0 437.477 3.562 50 0 IHAARN Cc1ccccc1CC(=O)N1CCc2c(c(-c3nc(-c4ccccc4F)no3)nn2C)C1 ZINC000064566188 568933032 /nfs/dbraw/zinc/93/30/32/568933032.db2.gz CXFZETDDXYONNW-UHFFFAOYSA-N 0 0 431.471 3.712 50 0 IHAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 ZINC000064579653 568934280 /nfs/dbraw/zinc/93/42/80/568934280.db2.gz DYMSEGSQUBHRQR-UHFFFAOYSA-N 0 0 428.448 3.828 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCOC)cc1 ZINC000006601151 568936376 /nfs/dbraw/zinc/93/63/76/568936376.db2.gz AJWJRPCHTVJIFW-UHFFFAOYSA-N 0 0 427.530 3.506 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)c(OC)c1 ZINC000089544821 568937042 /nfs/dbraw/zinc/93/70/42/568937042.db2.gz UCWZLBUGXZPSKF-JTHBVZDNSA-N 0 0 443.544 3.729 50 0 IHAARN CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000016690072 568938553 /nfs/dbraw/zinc/93/85/53/568938553.db2.gz WRSLWJOBTJUQPZ-MJGOQNOKSA-N 0 0 442.585 3.986 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)C3 ZINC000036358270 568940224 /nfs/dbraw/zinc/94/02/24/568940224.db2.gz WCEUJLYEPYEUSC-HXUWFJFHSA-N 0 0 427.863 3.659 50 0 biogenic IHAARN CCOC(=O)C1=C(COc2ccccc2OC)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083469 568947212 /nfs/dbraw/zinc/94/72/12/568947212.db2.gz RNHQLRAYZOXVCR-HXUWFJFHSA-N 0 0 430.888 3.941 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000036083515 568947218 /nfs/dbraw/zinc/94/72/18/568947218.db2.gz VBBAHVCUHKWQRF-OAQYLSRUSA-N 0 0 426.444 3.621 50 0 IHAARN Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccccc3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086331 568948688 /nfs/dbraw/zinc/94/86/88/568948688.db2.gz RCDYIOBIGADCNA-UHFFFAOYSA-N 0 0 440.503 3.620 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)Cn1cc(-c3ccccc3)c(N3CCSCC3)n1)CCO2 ZINC000064747930 568950608 /nfs/dbraw/zinc/95/06/08/568950608.db2.gz PQZQAWFMUGHPAD-UHFFFAOYSA-N 0 0 434.565 3.837 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc32)cc1 ZINC000064775363 568954528 /nfs/dbraw/zinc/95/45/28/568954528.db2.gz NHVJOWDCFMVMAP-UHFFFAOYSA-N 0 0 445.595 3.573 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(C)C ZINC000036117219 568955583 /nfs/dbraw/zinc/95/55/83/568955583.db2.gz AGRNWFIMKURNAU-FQEVSTJZSA-N 0 0 430.570 3.909 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(C)=O)C(C)(C)C ZINC000036118035 568955925 /nfs/dbraw/zinc/95/59/25/568955925.db2.gz FVOAMFHNSNOUHQ-SFHVURJKSA-N 0 0 430.570 3.909 50 0 IHAARN CC(C)Oc1ccccc1[C@@H]1OCCn2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000064788133 568956456 /nfs/dbraw/zinc/95/64/56/568956456.db2.gz QEXWVNOLTRSCMF-DEOSSOPVSA-N 0 0 445.519 3.613 50 0 IHAARN Cc1cc(C)c([C@@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(C)c1 ZINC000064788127 568956471 /nfs/dbraw/zinc/95/64/71/568956471.db2.gz ZPKPNWFZJPRDBT-DEOSSOPVSA-N 0 0 429.520 3.751 50 0 IHAARN Cc1ccc([C@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000064788277 568956628 /nfs/dbraw/zinc/95/66/28/568956628.db2.gz FGNPHBGSKYEAKW-JOCHJYFZSA-N 0 0 433.508 3.770 50 0 IHAARN Cc1ccc([C@@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)o1 ZINC000064788278 568956653 /nfs/dbraw/zinc/95/66/53/568956653.db2.gz FGNPHBGSKYEAKW-QFIPXVFZSA-N 0 0 433.508 3.770 50 0 IHAARN COc1ccccc1N1CCN(c2cc(C(C)C)nc3nc(-c4cccnc4)nn32)CC1 ZINC000064791017 568957482 /nfs/dbraw/zinc/95/74/82/568957482.db2.gz QMOMMWHYXVRFMR-UHFFFAOYSA-N 0 0 429.528 3.645 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)NCC ZINC000036122467 568958169 /nfs/dbraw/zinc/95/81/69/568958169.db2.gz PTTJBRBIBHCEGC-GOSISDBHSA-N 0 0 445.585 3.703 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)NCC ZINC000036123263 568958468 /nfs/dbraw/zinc/95/84/68/568958468.db2.gz BNPWLEMKCGJNOE-LJQANCHMSA-N 0 0 433.549 3.834 50 0 IHAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123610 568958654 /nfs/dbraw/zinc/95/86/54/568958654.db2.gz FXMMJZJVFAABOM-FQEVSTJZSA-N 0 0 445.560 3.974 50 0 IHAARN Cc1cc(Nc2cccc(C(=O)NCc3cccnc3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791616 568959043 /nfs/dbraw/zinc/95/90/43/568959043.db2.gz NRVSNDOVCLISRX-UHFFFAOYSA-N 0 0 436.479 3.563 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCC2)cc1 ZINC000064793416 568959602 /nfs/dbraw/zinc/95/96/02/568959602.db2.gz JLTKCBMXFQEVQI-HSZRJFAPSA-N 0 0 428.540 3.799 50 0 IHAARN CC(C)CNC(=O)CN1c2nnnn2[C@H](c2ccc(F)cc2)C=C1c1ccc(Cl)cc1 ZINC000064793519 568959751 /nfs/dbraw/zinc/95/97/51/568959751.db2.gz VCVQNLUBJGITJP-FQEVSTJZSA-N 0 0 440.910 3.688 50 0 IHAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(C[C@H]1CCCO1)C(=O)c1ccco1 ZINC000006712408 568961189 /nfs/dbraw/zinc/96/11/89/568961189.db2.gz IDEQOMCYCDJPLZ-HXUWFJFHSA-N 0 0 425.529 3.906 50 0 IHAARN COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146428 568962822 /nfs/dbraw/zinc/96/28/22/568962822.db2.gz CGQFKFQAFUSAAF-GGAORHGYSA-N 0 0 430.520 3.615 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C ZINC000064815954 568963774 /nfs/dbraw/zinc/96/37/74/568963774.db2.gz UHIYMTJQHBMERN-QHCPKHFHSA-N 0 0 438.553 3.954 50 0 IHAARN Cc1c(CC(=O)NC2CCCC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 ZINC000064813706 568963826 /nfs/dbraw/zinc/96/38/26/568963826.db2.gz GGIBTMPZZLIALX-UHFFFAOYSA-N 0 0 441.535 3.516 50 0 IHAARN O=C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)NCc1ccc(Cl)cc1 ZINC000064814500 568963950 /nfs/dbraw/zinc/96/39/50/568963950.db2.gz MLSJOUSMPXXMPK-UHFFFAOYSA-N 0 0 425.794 3.796 50 0 IHAARN COc1cc([C@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)cc(OC)c1OC ZINC000064819728 568966750 /nfs/dbraw/zinc/96/67/50/568966750.db2.gz UFWBAXURHGIPQC-LJQANCHMSA-N 0 0 435.274 3.714 50 0 IHAARN CCNC(=O)N1CCS[C@]12c1cc(OC)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036163164 568967871 /nfs/dbraw/zinc/96/78/71/568967871.db2.gz CJSJRRKEDJBGJD-NRFANRHFSA-N 0 0 431.945 3.827 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839505 568969794 /nfs/dbraw/zinc/96/97/94/568969794.db2.gz LCVKUPVJADHORN-OAQYLSRUSA-N 0 0 432.524 3.943 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c(Cl)c1 ZINC000064838498 568970161 /nfs/dbraw/zinc/97/01/61/568970161.db2.gz AJJYLPUDXBRUSX-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN Cc1cccc(OCc2nc(CCN(C)S(=O)(=O)c3cc(C)c(C)cc3C)no2)c1 ZINC000064841818 568970343 /nfs/dbraw/zinc/97/03/43/568970343.db2.gz UNJUGMHOZBHDMM-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccc(C(C)C)cc3)no2)cc1 ZINC000064842020 568970591 /nfs/dbraw/zinc/97/05/91/568970591.db2.gz PYKRBTIHCPGRGM-UHFFFAOYSA-N 0 0 445.541 3.644 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1OC ZINC000064859478 568972468 /nfs/dbraw/zinc/97/24/68/568972468.db2.gz VNJUHYYDNDUXGL-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)NCC(C)C)CC2)cc1 ZINC000036208594 568973566 /nfs/dbraw/zinc/97/35/66/568973566.db2.gz AJFLDADBIDDSEH-XMMPIXPASA-N 0 0 449.595 3.726 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210025 568974475 /nfs/dbraw/zinc/97/44/75/568974475.db2.gz ZYXVULJWJNNXHM-IIBYNOLFSA-N 0 0 435.996 3.638 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036210687 568975116 /nfs/dbraw/zinc/97/51/16/568975116.db2.gz NIGHHAVDOJVNFW-GBXCKJPGSA-N 0 0 449.595 3.869 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036212832 568976627 /nfs/dbraw/zinc/97/66/27/568976627.db2.gz OICRJAPXRHCRDF-XMMPIXPASA-N 0 0 449.595 3.823 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036212641 568976667 /nfs/dbraw/zinc/97/66/67/568976667.db2.gz ZSYDHZIHWVOGNC-CVDCTZTESA-N 0 0 435.568 3.561 50 0 IHAARN CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212727 568976668 /nfs/dbraw/zinc/97/66/68/568976668.db2.gz DYIPQHHYCHBMJK-UWJYYQICSA-N 0 0 441.597 3.560 50 0 IHAARN COc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1OC ZINC000064888202 568979424 /nfs/dbraw/zinc/97/94/24/568979424.db2.gz GQXCATJREYFYNR-UHFFFAOYSA-N 0 0 437.521 3.699 50 0 IHAARN CCc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000064889037 568980096 /nfs/dbraw/zinc/98/00/96/568980096.db2.gz MTAFOJIEFOZIPS-UHFFFAOYSA-N 0 0 428.558 3.658 50 0 IHAARN CCc1ccc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000064889111 568980300 /nfs/dbraw/zinc/98/03/00/568980300.db2.gz XVBJDBPPJRUJDV-UHFFFAOYSA-N 0 0 440.569 3.802 50 0 IHAARN CCCn1c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890847 568981010 /nfs/dbraw/zinc/98/10/10/568981010.db2.gz WLUSNSBTORJJQW-UHFFFAOYSA-N 0 0 427.258 3.579 50 0 IHAARN CCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2nc(C)c1=O ZINC000064890328 568981342 /nfs/dbraw/zinc/98/13/42/568981342.db2.gz KGGOKXKPHWCKKH-HNNXBMFYSA-N 0 0 449.898 3.949 50 0 IHAARN CCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2nc(C)c1=O ZINC000064890327 568981376 /nfs/dbraw/zinc/98/13/76/568981376.db2.gz KGGOKXKPHWCKKH-OAHLLOKOSA-N 0 0 449.898 3.949 50 0 IHAARN CCc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036250479 568983860 /nfs/dbraw/zinc/98/38/60/568983860.db2.gz BNYJLLXBRTWTCN-XMMPIXPASA-N 0 0 425.617 3.824 50 0 IHAARN CCC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC ZINC000036253462 568984588 /nfs/dbraw/zinc/98/45/88/568984588.db2.gz ANCAZYIHVIMQSR-KRWDZBQOSA-N 0 0 436.622 3.714 50 0 IHAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2nnc(C3CCCC3)o2)s1 ZINC000064920687 568985393 /nfs/dbraw/zinc/98/53/93/568985393.db2.gz ILOCTCLZIOKCCA-UHFFFAOYSA-N 0 0 433.511 3.663 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CC5)o4)s3)CC2)c1C ZINC000064920224 568985476 /nfs/dbraw/zinc/98/54/76/568985476.db2.gz ZXNHNTBYTSQXMN-UHFFFAOYSA-N 0 0 444.582 3.803 50 0 IHAARN Cc1c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc(C(=O)N2CCC(C)CC2)n1C ZINC000064922372 568986021 /nfs/dbraw/zinc/98/60/21/568986021.db2.gz PQIKXOYEWRCZHW-HXUWFJFHSA-N 0 0 429.586 3.562 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000064924422 568986279 /nfs/dbraw/zinc/98/62/79/568986279.db2.gz WFJJGKNVPZVDFL-UHFFFAOYSA-N 0 0 438.963 3.782 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(-n3nnc4cccnc43)c2)CC1 ZINC000064925324 568986538 /nfs/dbraw/zinc/98/65/38/568986538.db2.gz CTXLJVSGRGCROA-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064931053 568989222 /nfs/dbraw/zinc/98/92/22/568989222.db2.gz OLGRETLRHCYUOD-INIZCTEOSA-N 0 0 446.529 3.764 50 0 IHAARN COc1cccc(Cn2c3cc(C(=O)NCc4ccccc4)ccc3n3nccc3c2=O)c1 ZINC000169681132 568991646 /nfs/dbraw/zinc/99/16/46/568991646.db2.gz IUQRQACXMIWRSL-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc(OC)c1 ZINC000064942688 568992272 /nfs/dbraw/zinc/99/22/72/568992272.db2.gz IQXCMBXBROKXHR-UHFFFAOYSA-N 0 0 432.885 3.837 50 0 IHAARN CCOc1ccccc1Cn1c2nn(Cc3ccccc3C)c(=O)n2c2ccsc2c1=O ZINC000064946573 568993526 /nfs/dbraw/zinc/99/35/26/568993526.db2.gz LWLNIPQKDSWFAM-UHFFFAOYSA-N 0 0 446.532 3.676 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4ccc(F)cc4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946556 568993551 /nfs/dbraw/zinc/99/35/51/568993551.db2.gz WYSSJUSHCJYHBJ-UHFFFAOYSA-N 0 0 434.496 3.671 50 0 IHAARN CCc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)cc1 ZINC000064950746 568996092 /nfs/dbraw/zinc/99/60/92/568996092.db2.gz YOURAFGZXLPHNP-UHFFFAOYSA-N 0 0 441.597 3.648 50 0 IHAARN Cc1cccc(CN2CCN(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000064950923 568996112 /nfs/dbraw/zinc/99/61/12/568996112.db2.gz MMKRVTKHCXNNMW-UHFFFAOYSA-N 0 0 447.988 3.739 50 0 IHAARN Cc1cccc(CN2CCCn3nc(C(=O)NCCc4ccc(Cl)cc4)cc3C2=O)c1 ZINC000064959738 568999990 /nfs/dbraw/zinc/99/99/90/568999990.db2.gz UGPXBTAFIFOHKX-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1/C=C/c1ccccc1 ZINC000169692291 569076625 /nfs/dbraw/zinc/07/66/25/569076625.db2.gz XPPRYOYKKOSLAZ-UUNXDAEASA-N 0 0 430.541 3.956 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972101 569076713 /nfs/dbraw/zinc/07/67/13/569076713.db2.gz OJVDNVGJNMCRKD-QFIPXVFZSA-N 0 0 440.952 3.772 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000064972458 569076934 /nfs/dbraw/zinc/07/69/34/569076934.db2.gz OLFWDDGGZMVWJU-HSZRJFAPSA-N 0 0 434.561 3.735 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cccc(F)c2)cc1 ZINC000064972324 569076970 /nfs/dbraw/zinc/07/69/70/569076970.db2.gz ZWNFBTPCBZKRJF-QFIPXVFZSA-N 0 0 440.496 3.589 50 0 IHAARN C[C@H](NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)C(=O)N1CCCCC1 ZINC000064972578 569076998 /nfs/dbraw/zinc/07/69/98/569076998.db2.gz LOQXXOZXNLCCTE-HNNXBMFYSA-N 0 0 436.537 3.679 50 0 IHAARN CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCOCC2)cc1 ZINC000036344004 569080096 /nfs/dbraw/zinc/08/00/96/569080096.db2.gz GIUFTRNPDUHRGU-QFIPXVFZSA-N 0 0 427.932 3.749 50 0 IHAARN COc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)o2)cc1OC ZINC000064987867 569082542 /nfs/dbraw/zinc/08/25/42/569082542.db2.gz NPDBIRSIWXGLRU-UHFFFAOYSA-N 0 0 443.525 3.841 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000064987695 569082714 /nfs/dbraw/zinc/08/27/14/569082714.db2.gz APKDYSQTLOVDMC-UHFFFAOYSA-N 0 0 426.476 3.588 50 0 IHAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccc2c(c1)OCCO2 ZINC000064990448 569083382 /nfs/dbraw/zinc/08/33/82/569083382.db2.gz CTUHBEYCWIJADE-UHFFFAOYSA-N 0 0 429.476 3.982 50 0 IHAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 ZINC000064999898 569086251 /nfs/dbraw/zinc/08/62/51/569086251.db2.gz XMJNJSBLFFYCPO-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 ZINC000036359789 569086580 /nfs/dbraw/zinc/08/65/80/569086580.db2.gz NKKPAQIMTGVBFH-UHFFFAOYSA-N 0 0 444.466 3.925 50 0 IHAARN COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCCCOC(C)C)ccc2c1=O ZINC000036360768 569086687 /nfs/dbraw/zinc/08/66/87/569086687.db2.gz SLVHATXOLCABKU-UHFFFAOYSA-N 0 0 429.904 3.593 50 0 IHAARN COc1ccc(-n2cnc3cc(C(=O)NC[C@H](O)c4ccccc4)ccc3c2=O)cc1Cl ZINC000036360673 569086702 /nfs/dbraw/zinc/08/67/02/569086702.db2.gz HJQKKDSXZBNRGD-NRFANRHFSA-N 0 0 449.894 3.511 50 0 IHAARN O=C(c1cccc(-c2cnc(N3CCCC3)nc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000065025665 569090795 /nfs/dbraw/zinc/09/07/95/569090795.db2.gz RXZCXIJQEXAIKT-UHFFFAOYSA-N 0 0 427.552 3.702 50 0 IHAARN COc1cccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)c1 ZINC000065025851 569090909 /nfs/dbraw/zinc/09/09/09/569090909.db2.gz HEYKGFCVUNMMNI-UHFFFAOYSA-N 0 0 435.553 3.543 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1 ZINC000065029499 569091132 /nfs/dbraw/zinc/09/11/32/569091132.db2.gz HXRSUWIHOKEDSD-UHFFFAOYSA-N 0 0 441.597 3.609 50 0 IHAARN Cc1cn2nc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c(N2CCSCC2)n1 ZINC000169749836 569092028 /nfs/dbraw/zinc/09/20/28/569092028.db2.gz GOOJBXZOYHSWNC-UHFFFAOYSA-N 0 0 435.475 3.540 50 0 IHAARN CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036385872 569092837 /nfs/dbraw/zinc/09/28/37/569092837.db2.gz MUZHJRPPQKGBQA-INIZCTEOSA-N 0 0 429.767 3.780 50 0 IHAARN O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 ZINC000169755048 569093394 /nfs/dbraw/zinc/09/33/94/569093394.db2.gz WQRAWCUFZHZMKN-UHFFFAOYSA-N 0 0 439.313 3.844 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cc(OC)cc(OC)c4)C3)n[nH]2)cc1 ZINC000169753912 569093685 /nfs/dbraw/zinc/09/36/85/569093685.db2.gz GCGJEEBYDZXZEG-SFHVURJKSA-N 0 0 436.512 3.501 50 0 IHAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1 ZINC000169758951 569093949 /nfs/dbraw/zinc/09/39/49/569093949.db2.gz LYCMEDDDUJGRAU-HSZRJFAPSA-N 0 0 444.535 3.954 50 0 IHAARN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169759047 569094066 /nfs/dbraw/zinc/09/40/66/569094066.db2.gz VTKDKEAOFYFFAK-JOCHJYFZSA-N 0 0 448.498 3.785 50 0 IHAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C(C)C)C2=C1C(=O)OC2 ZINC000169758198 569094400 /nfs/dbraw/zinc/09/44/00/569094400.db2.gz PATZAPASHDMPMT-HSZRJFAPSA-N 0 0 449.507 3.725 50 0 IHAARN Cc1ccc(CCNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 ZINC000169760244 569094528 /nfs/dbraw/zinc/09/45/28/569094528.db2.gz RATRUPKYLMCPMS-UHFFFAOYSA-N 0 0 440.547 3.704 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760231 569094569 /nfs/dbraw/zinc/09/45/69/569094569.db2.gz JVLLDKVJBSBIDF-UHFFFAOYSA-N 0 0 448.473 3.631 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760265 569094576 /nfs/dbraw/zinc/09/45/76/569094576.db2.gz YQANJKCQDJFAKU-UHFFFAOYSA-N 0 0 434.446 3.954 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)c(OC)c1 ZINC000169760454 569094671 /nfs/dbraw/zinc/09/46/71/569094671.db2.gz DIYBWVUWDVXJDQ-KRWDZBQOSA-N 0 0 439.468 3.748 50 0 IHAARN CSc1ccc(CNC(=O)CCc2nc3onc(C)c3c(N3CCCCC3)n2)cc1 ZINC000065056359 569094837 /nfs/dbraw/zinc/09/48/37/569094837.db2.gz CJSHMBRCTGLYLB-UHFFFAOYSA-N 0 0 425.558 3.887 50 0 IHAARN COc1ccc(CNC(=O)CCc2nc3onc(C)c3c(N3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000065056666 569094895 /nfs/dbraw/zinc/09/48/95/569094895.db2.gz GLWAJSQJYNALHT-IYBDPMFKSA-N 0 0 437.544 3.666 50 0 IHAARN COc1cccc(CNC(=O)CCc2nc3onc(C)c3c(N3C[C@H](C)C[C@@H](C)C3)n2)c1 ZINC000065056707 569094936 /nfs/dbraw/zinc/09/49/36/569094936.db2.gz AIZDBKNGKZYNHL-HZPDHXFCSA-N 0 0 437.544 3.666 50 0 IHAARN CCOc1ccc(CNC(=O)CCc2nc3onc(CC)c3c(N3CCCCC3)n2)cc1 ZINC000065056888 569095021 /nfs/dbraw/zinc/09/50/21/569095021.db2.gz WIEBEVPQBWZQSY-UHFFFAOYSA-N 0 0 437.544 3.818 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N5CCCCC5)C4)sc3n2)cc1 ZINC000006876795 569095531 /nfs/dbraw/zinc/09/55/31/569095531.db2.gz PDJBHCPLFKOPOE-KRWDZBQOSA-N 0 0 425.558 3.695 50 0 IHAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)c1 ZINC000065059442 569096105 /nfs/dbraw/zinc/09/61/05/569096105.db2.gz FZYHOWKTHXJXLR-XMMPIXPASA-N 0 0 444.597 3.728 50 0 IHAARN COc1ccc(-c2cn3ccn(-c4ccc(Br)cc4)c(=O)c3n2)cc1OC ZINC000065060431 569096272 /nfs/dbraw/zinc/09/62/72/569096272.db2.gz NECGSYPKARAWQV-UHFFFAOYSA-N 0 0 426.270 3.932 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@@H]3CCCCCN3C4=O)CC2)cc1 ZINC000169766518 569097629 /nfs/dbraw/zinc/09/76/29/569097629.db2.gz TUSXJTLUYGZEJX-DEOSSOPVSA-N 0 0 432.568 3.750 50 0 IHAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C ZINC000036392982 569098476 /nfs/dbraw/zinc/09/84/76/569098476.db2.gz FLLVNYALLLDWRP-UHFFFAOYSA-N 0 0 447.586 3.835 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075160 569099554 /nfs/dbraw/zinc/09/95/54/569099554.db2.gz YPVULTZOOBWHIN-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1F ZINC000065077458 569100318 /nfs/dbraw/zinc/10/03/18/569100318.db2.gz YAKJWRSURIWMSS-ZDUSSCGKSA-N 0 0 436.530 3.759 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(Cl)c1 ZINC000065077121 569100377 /nfs/dbraw/zinc/10/03/77/569100377.db2.gz LPRYQGOTHIRIIE-UHFFFAOYSA-N 0 0 438.958 3.885 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077053 569100464 /nfs/dbraw/zinc/10/04/64/569100464.db2.gz DCMBYIISEBLFOM-UHFFFAOYSA-N 0 0 438.958 3.885 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)ccc2S1 ZINC000065077792 569100615 /nfs/dbraw/zinc/10/06/15/569100615.db2.gz GEQDQACSPRBTPV-NSHDSACASA-N 0 0 440.493 3.590 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc2S1 ZINC000065078018 569100697 /nfs/dbraw/zinc/10/06/97/569100697.db2.gz BGNCKKRIKWMCLU-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065077840 569100736 /nfs/dbraw/zinc/10/07/36/569100736.db2.gz VGJQSQCMPXDTKC-AWEZNQCLSA-N 0 0 448.566 3.711 50 0 IHAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000065078203 569100901 /nfs/dbraw/zinc/10/09/01/569100901.db2.gz FDSPDRSOZFRDLD-AWEZNQCLSA-N 0 0 432.567 3.732 50 0 IHAARN O=C(c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000065080490 569101378 /nfs/dbraw/zinc/10/13/78/569101378.db2.gz PYGHQXPNUYSEKZ-UHFFFAOYSA-N 0 0 448.498 3.679 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccccc3C)c2-c2ccncc2)c1 ZINC000065083264 569102213 /nfs/dbraw/zinc/10/22/13/569102213.db2.gz FLNKSBATXADUCR-UHFFFAOYSA-N 0 0 429.480 3.585 50 0 IHAARN O=C(Cc1ccc(Br)cc1)NCc1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000169778403 569102605 /nfs/dbraw/zinc/10/26/05/569102605.db2.gz ROOGOKSJJMXHMC-UHFFFAOYSA-N 0 0 440.276 3.552 50 0 IHAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000169777414 569102875 /nfs/dbraw/zinc/10/28/75/569102875.db2.gz RAWKZJBSQZWWHM-UHFFFAOYSA-N 0 0 434.422 3.777 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780658 569103094 /nfs/dbraw/zinc/10/30/94/569103094.db2.gz PXWZKECRRRLNBC-HSZRJFAPSA-N 0 0 436.531 3.580 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169779606 569103319 /nfs/dbraw/zinc/10/33/19/569103319.db2.gz ARXGFSDZPZVLFS-HXUWFJFHSA-N 0 0 429.835 3.606 50 0 IHAARN Cn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100115 569104906 /nfs/dbraw/zinc/10/49/06/569104906.db2.gz JXIGWOOXVKYMIL-UHFFFAOYSA-N 0 0 428.424 3.541 50 0 IHAARN Cn1cc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)c(-c2ccccc2)n1 ZINC000065099578 569105302 /nfs/dbraw/zinc/10/53/02/569105302.db2.gz ZKSFWMZATOWRLA-UHFFFAOYSA-N 0 0 444.564 3.560 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)nc(NCc3cccs3)c3ccccc32)c1 ZINC000065101966 569105967 /nfs/dbraw/zinc/10/59/67/569105967.db2.gz UHDRGQNAVVBTEQ-UHFFFAOYSA-N 0 0 432.505 3.911 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)NCCCc1ccccc1 ZINC000065115964 569106958 /nfs/dbraw/zinc/10/69/58/569106958.db2.gz WZXQECPRPBOEBT-UHFFFAOYSA-N 0 0 443.525 3.528 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c1 ZINC000065116295 569107340 /nfs/dbraw/zinc/10/73/40/569107340.db2.gz VCXMHMLYBQSMEH-UHFFFAOYSA-N 0 0 427.526 3.958 50 0 IHAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(Cl)c3)c2c1=O ZINC000065113583 569108451 /nfs/dbraw/zinc/10/84/51/569108451.db2.gz FOFRKSRGMZTJDH-UHFFFAOYSA-N 0 0 436.899 3.804 50 0 IHAARN O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1ccccc1C(F)(F)F ZINC000065134365 569110194 /nfs/dbraw/zinc/11/01/94/569110194.db2.gz YFGUOHHLTAMTFU-UHFFFAOYSA-N 0 0 448.470 3.607 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)cc1Cl ZINC000065151142 569111749 /nfs/dbraw/zinc/11/17/49/569111749.db2.gz JYSNRYYEFADSBX-UHFFFAOYSA-N 0 0 439.928 3.784 50 0 IHAARN CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152621 569111963 /nfs/dbraw/zinc/11/19/63/569111963.db2.gz UHYUFTGPSBJFPQ-UHFFFAOYSA-N 0 0 444.479 3.739 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@](O)(c2cccc(F)c2)c2ccccc21 ZINC000065155250 569112410 /nfs/dbraw/zinc/11/24/10/569112410.db2.gz FLVNDJZCVKFVMU-QHCPKHFHSA-N 0 0 440.858 3.709 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3[C@@](O)(c3cccc(Cl)c3)C2=O)cc1 ZINC000065155528 569112491 /nfs/dbraw/zinc/11/24/91/569112491.db2.gz MONFJHKOYYTZSH-DEOSSOPVSA-N 0 0 434.879 3.764 50 0 IHAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cnc(N4CCSCC4)nc3)CC2)cc1 ZINC000065166922 569112588 /nfs/dbraw/zinc/11/25/88/569112588.db2.gz FQMCOCFKONNCCX-UHFFFAOYSA-N 0 0 439.629 3.686 50 0 IHAARN CCc1nc2c(-c3ccncc3)nsc2c(=O)n1CC(=O)Nc1cccc(Cl)c1 ZINC000065171064 569112848 /nfs/dbraw/zinc/11/28/48/569112848.db2.gz DJNWLGMIZNIKIH-UHFFFAOYSA-N 0 0 425.901 3.770 50 0 IHAARN Cc1ccc2c(c1)N(Cc1ccccc1F)N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000065183334 569113844 /nfs/dbraw/zinc/11/38/44/569113844.db2.gz NPAIFNUYQOUCFD-UHFFFAOYSA-N 0 0 429.517 3.500 50 0 IHAARN CC(C)c1nn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000065184042 569113955 /nfs/dbraw/zinc/11/39/55/569113955.db2.gz FBXMOWMMSMNCAB-UHFFFAOYSA-N 0 0 433.603 3.549 50 0 IHAARN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)s1 ZINC000065183536 569113964 /nfs/dbraw/zinc/11/39/64/569113964.db2.gz VQIBDRCDFLKUFO-UHFFFAOYSA-N 0 0 439.006 3.992 50 0 IHAARN COc1ccc(CNC(=O)CN2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000065184251 569114035 /nfs/dbraw/zinc/11/40/35/569114035.db2.gz DSQDCVICLTZKKF-UHFFFAOYSA-N 0 0 440.931 3.894 50 0 IHAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1F ZINC000065185234 569114169 /nfs/dbraw/zinc/11/41/69/569114169.db2.gz GARGDXOEUOBOJI-UHFFFAOYSA-N 0 0 446.891 3.926 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)c2-c2nc(C(C)C)no2)CC1 ZINC000065186056 569114594 /nfs/dbraw/zinc/11/45/94/569114594.db2.gz ZHUWMKZRSSRVGM-UHFFFAOYSA-N 0 0 437.544 3.636 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc(-c3nc(-c4cccc(Cl)c4)no3)ccc2=O)cc1F ZINC000065197561 569114828 /nfs/dbraw/zinc/11/48/28/569114828.db2.gz HDKFEMMZLNRJCN-UHFFFAOYSA-N 0 0 439.834 3.700 50 0 IHAARN O=C(N[C@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1ccc(Br)cc1 ZINC000065209413 569116093 /nfs/dbraw/zinc/11/60/93/569116093.db2.gz PYACQWZXVRTRJJ-KRWDZBQOSA-N 0 0 427.302 3.952 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)c1 ZINC000065201197 569116153 /nfs/dbraw/zinc/11/61/53/569116153.db2.gz CSSHMBLHPAYXRT-UHFFFAOYSA-N 0 0 436.533 3.894 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000065212449 569116748 /nfs/dbraw/zinc/11/67/48/569116748.db2.gz KVJDOTHMYFUCJX-UHFFFAOYSA-N 0 0 439.537 3.720 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000065212535 569116761 /nfs/dbraw/zinc/11/67/61/569116761.db2.gz WMTGUSWHCLEYCJ-UHFFFAOYSA-N 0 0 439.537 3.521 50 0 IHAARN CC(C)C(=O)NCc1cnn(-c2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)c1 ZINC000065213079 569116936 /nfs/dbraw/zinc/11/69/36/569116936.db2.gz XOZXRUFDWOIUKW-UHFFFAOYSA-N 0 0 428.895 3.867 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000007001683 569117505 /nfs/dbraw/zinc/11/75/05/569117505.db2.gz KBBOHROMOVEHKE-UPCLLVRISA-N 0 0 427.545 3.991 50 0 IHAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1 ZINC000065225396 569117919 /nfs/dbraw/zinc/11/79/19/569117919.db2.gz PKXXIHYGWUPQHD-UHFFFAOYSA-N 0 0 445.928 3.569 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nnc(-c5ccccc5)o4)CC3)CC2)c1 ZINC000065229449 569118167 /nfs/dbraw/zinc/11/81/67/569118167.db2.gz DCNGUPGWHOYQDT-UHFFFAOYSA-N 0 0 431.540 3.610 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl ZINC000036569695 569118385 /nfs/dbraw/zinc/11/83/85/569118385.db2.gz AAVUWMPENOWAJX-QAPCUYQASA-N 0 0 439.343 3.961 50 0 IHAARN COc1ccc(CC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1Cl ZINC000065232230 569118856 /nfs/dbraw/zinc/11/88/56/569118856.db2.gz MWPNGXJNDCPBDP-UHFFFAOYSA-N 0 0 445.947 3.830 50 0 IHAARN CCN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000065235242 569119222 /nfs/dbraw/zinc/11/92/22/569119222.db2.gz KPJPEZOQETYCRG-UHFFFAOYSA-N 0 0 446.320 3.790 50 0 IHAARN CCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3C)cc1 ZINC000065235535 569119237 /nfs/dbraw/zinc/11/92/37/569119237.db2.gz ZUDKRLPNLDEGLU-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN C=C1C(N2CCCN(C(=O)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239413 569120541 /nfs/dbraw/zinc/12/05/41/569120541.db2.gz LEEFPQSUYSAEDE-UHFFFAOYSA-N 0 0 429.586 3.583 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000036594052 569121282 /nfs/dbraw/zinc/12/12/82/569121282.db2.gz HXWKSCDWFYEPNF-IIBYNOLFSA-N 0 0 447.564 3.943 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000036594910 569121388 /nfs/dbraw/zinc/12/13/88/569121388.db2.gz QNSNYWIKUKERGB-FDDCHVKYSA-N 0 0 446.551 3.753 50 0 IHAARN Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251519 569122133 /nfs/dbraw/zinc/12/21/33/569122133.db2.gz LTPDNVYXLOTJIU-UHFFFAOYSA-N 0 0 426.480 3.702 50 0 IHAARN Cc1cc(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)c2cnn(C)c2n1 ZINC000036616421 569122899 /nfs/dbraw/zinc/12/28/99/569122899.db2.gz YZQYIDHGAGAEKE-UHFFFAOYSA-N 0 0 425.290 3.536 50 0 IHAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN(Cc4ccccn4)CC3)c12 ZINC000036613293 569123670 /nfs/dbraw/zinc/12/36/70/569123670.db2.gz WFJJFRCJRQONRS-UHFFFAOYSA-N 0 0 440.551 3.605 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)cc1 ZINC000036613402 569123818 /nfs/dbraw/zinc/12/38/18/569123818.db2.gz XIPXRBAVRJOALY-OAHLLOKOSA-N 0 0 432.528 3.523 50 0 IHAARN CC1CCN(c2ccccc2CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000036614515 569124060 /nfs/dbraw/zinc/12/40/60/569124060.db2.gz RETQGHPMEWKYHP-UHFFFAOYSA-N 0 0 427.570 3.528 50 0 IHAARN COc1ccccc1N1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258267 569124336 /nfs/dbraw/zinc/12/43/36/569124336.db2.gz XMJBHUUTUQPJNL-UHFFFAOYSA-N 0 0 428.496 3.892 50 0 IHAARN Cc1ccccc1OCC(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC1CCCC1 ZINC000065265927 569127298 /nfs/dbraw/zinc/12/72/98/569127298.db2.gz VNNYTROLFSDMNL-AREMUKBSSA-N 0 0 432.568 3.711 50 0 IHAARN CSCC[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2n1C ZINC000524732541 569127515 /nfs/dbraw/zinc/12/75/15/569127515.db2.gz OMZFFSMGPGPPEQ-IBGZPJMESA-N 0 0 426.586 3.881 50 0 IHAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(Cl)cc21 ZINC000524734407 569127794 /nfs/dbraw/zinc/12/77/94/569127794.db2.gz BYRDUEGDMVHKTE-VNZMSGEBSA-N 0 0 437.927 3.911 50 0 IHAARN C=C1C(N2CCCN(C(=O)Nc3cccc(F)c3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271925 569128840 /nfs/dbraw/zinc/12/88/40/569128840.db2.gz HGJLZUMSSIOAGQ-UHFFFAOYSA-N 0 0 442.516 3.538 50 0 IHAARN CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000065272707 569129068 /nfs/dbraw/zinc/12/90/68/569129068.db2.gz DQNHPWKODJENAI-QGZVFWFLSA-N 0 0 441.597 3.810 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273153 569129373 /nfs/dbraw/zinc/12/93/73/569129373.db2.gz CTUAHPDPQGKRLZ-KRWDZBQOSA-N 0 0 440.565 3.914 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)cc2C)CC3)CC1 ZINC000065273504 569129648 /nfs/dbraw/zinc/12/96/48/569129648.db2.gz TXVKBGIXLLBOQT-QGZVFWFLSA-N 0 0 426.586 3.562 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000036646690 569130328 /nfs/dbraw/zinc/13/03/28/569130328.db2.gz PFNXMUMYLJYQIC-ROUUACIJSA-N 0 0 442.581 3.560 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000036646691 569130402 /nfs/dbraw/zinc/13/04/02/569130402.db2.gz PFNXMUMYLJYQIC-QZTJIDSGSA-N 0 0 442.581 3.560 50 0 IHAARN Cc1oc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)nc1C(=O)N1CCCC1 ZINC000065293699 569131046 /nfs/dbraw/zinc/13/10/46/569131046.db2.gz PUNMFGAADTYSCP-UHFFFAOYSA-N 0 0 431.558 3.745 50 0 IHAARN Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065297379 569131724 /nfs/dbraw/zinc/13/17/24/569131724.db2.gz PCVYMUQCEROOHE-UHFFFAOYSA-N 0 0 430.961 3.963 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)c(C)c4)n3c2=O)c1 ZINC000065307885 569132693 /nfs/dbraw/zinc/13/26/93/569132693.db2.gz AWFWTHHMTIEJNG-UHFFFAOYSA-N 0 0 434.475 3.592 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nc(C)nc4csc(C)c43)CC2)c1 ZINC000065301543 569132810 /nfs/dbraw/zinc/13/28/10/569132810.db2.gz WKMQWCNIFLIFOD-UHFFFAOYSA-N 0 0 440.569 3.858 50 0 IHAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc2c1 ZINC000036707125 569134713 /nfs/dbraw/zinc/13/47/13/569134713.db2.gz ZOORBPVKEVEMQA-UHFFFAOYSA-N 0 0 429.542 3.884 50 0 IHAARN O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 ZINC000036700368 569135279 /nfs/dbraw/zinc/13/52/79/569135279.db2.gz RXABJXDCXNPMJW-FQEVSTJZSA-N 0 0 426.941 3.611 50 0 IHAARN CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322192 569136615 /nfs/dbraw/zinc/13/66/15/569136615.db2.gz GDWZOCIAVNRQNB-UHFFFAOYSA-N 0 0 437.544 3.592 50 0 IHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000036892398 569138681 /nfs/dbraw/zinc/13/86/81/569138681.db2.gz MGYDYMMUQKSLGE-ORAYPTAESA-N 0 0 445.313 3.598 50 0 IHAARN O=C1COc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)c3ccccc3)c(Cl)cc2N1 ZINC000065579093 569139798 /nfs/dbraw/zinc/13/97/98/569139798.db2.gz VDWKGWCHQKHOHV-GOSISDBHSA-N 0 0 442.924 3.933 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3ccco3)cc2)co1 ZINC000240067754 569140575 /nfs/dbraw/zinc/14/05/75/569140575.db2.gz SAOBXMGXGPIXCC-HXUWFJFHSA-N 0 0 430.507 3.519 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(Cc3cccnc3)Cc3ccccc3C)cc2oc1=O ZINC000170597013 569141940 /nfs/dbraw/zinc/14/19/40/569141940.db2.gz XQYAHBZARNPOIZ-UHFFFAOYSA-N 0 0 437.521 3.709 50 0 IHAARN COc1cccc(N[C@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C(C)(C)C)c1 ZINC000170600337 569142770 /nfs/dbraw/zinc/14/27/70/569142770.db2.gz WKMBZVMUDJLHAD-HXUWFJFHSA-N 0 0 425.533 3.873 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000170601548 569142955 /nfs/dbraw/zinc/14/29/55/569142955.db2.gz LRSOLXZLLCJUDA-INIZCTEOSA-N 0 0 434.458 3.846 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)NCc3ccc(F)cc3)c2=O)c1C ZINC000037263743 569144585 /nfs/dbraw/zinc/14/45/85/569144585.db2.gz FAIINTQZAPLNGZ-GOSISDBHSA-N 0 0 445.494 3.786 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1nc(Br)ccc1Br ZINC000170610902 569144978 /nfs/dbraw/zinc/14/49/78/569144978.db2.gz HBENSPJQBSAHIQ-LBPRGKRZSA-N 0 0 443.139 3.767 50 0 IHAARN COCCOc1ccccc1C(=O)NCc1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000170610177 569145144 /nfs/dbraw/zinc/14/51/44/569145144.db2.gz JDLKQXUSJRBJRA-UHFFFAOYSA-N 0 0 430.464 3.754 50 0 IHAARN Cc1ccc(-n2cnnc2)c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000170610252 569145177 /nfs/dbraw/zinc/14/51/77/569145177.db2.gz QMWHGCXZULXFSO-UHFFFAOYSA-N 0 0 427.464 3.846 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(Oc2cccc3cccnc32)cc1)C(=O)NC(C)(C)C ZINC000170613344 569146214 /nfs/dbraw/zinc/14/62/14/569146214.db2.gz FTVZXCOKTHMQPM-OAHLLOKOSA-N 0 0 427.526 3.609 50 0 IHAARN COC(=O)c1c(Br)cc(Br)c(NC(=O)c2cc(C)no2)c1C ZINC000170617633 569146916 /nfs/dbraw/zinc/14/69/16/569146916.db2.gz BWMWVWGJZZEDCM-UHFFFAOYSA-N 0 0 432.068 3.855 50 0 IHAARN O=C(COC(=O)c1cncc(OCC(F)F)c1)Nc1ccc(Br)cc1Cl ZINC000170616602 569146698 /nfs/dbraw/zinc/14/66/98/569146698.db2.gz UJBHMHYFQJLJCC-UHFFFAOYSA-N 0 0 449.635 3.937 50 0 IHAARN COc1ccc(S(=O)(=O)NCC(C)(C)CCCC(OC)OC)cc1Br ZINC000170618787 569147178 /nfs/dbraw/zinc/14/71/78/569147178.db2.gz LTBXIZDJEYDASE-UHFFFAOYSA-N 0 0 438.384 3.551 50 0 IHAARN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000170619756 569147505 /nfs/dbraw/zinc/14/75/05/569147505.db2.gz RMPNRRAANYHLRD-MRXNPFEDSA-N 0 0 425.963 3.721 50 0 IHAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3Cc4ccccc43)ccc2Cl)C1 ZINC000170627057 569148753 /nfs/dbraw/zinc/14/87/53/569148753.db2.gz LYIOOPDGRUXPSP-QAPCUYQASA-N 0 0 432.973 3.830 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009869437 569149365 /nfs/dbraw/zinc/14/93/65/569149365.db2.gz BPPSPGPDTLLEHF-UHFFFAOYSA-N 0 0 434.525 3.533 50 0 IHAARN CCN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009882215 569149558 /nfs/dbraw/zinc/14/95/58/569149558.db2.gz SJRNPMKJTNBNLI-NRFANRHFSA-N 0 0 437.565 3.556 50 0 IHAARN Cn1c(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)nnc1-c1ccccc1 ZINC000009883527 569150039 /nfs/dbraw/zinc/15/00/39/569150039.db2.gz BSDGQFYFDLPSTR-UHFFFAOYSA-N 0 0 435.553 3.885 50 0 IHAARN CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1cccc(C)c1 ZINC000009883620 569150080 /nfs/dbraw/zinc/15/00/80/569150080.db2.gz QDTQZUUPIHWCDU-UHFFFAOYSA-N 0 0 446.554 3.783 50 0 IHAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009883735 569150095 /nfs/dbraw/zinc/15/00/95/569150095.db2.gz KUQMYGGHOMMFJX-XMSQKQJNSA-N 0 0 430.504 3.676 50 0 IHAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009883871 569150206 /nfs/dbraw/zinc/15/02/06/569150206.db2.gz QSFXGSLHVGVAAP-APWZRJJASA-N 0 0 436.533 3.738 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)Cc1c[nH]c3ccccc13)CCC2 ZINC000009883923 569150257 /nfs/dbraw/zinc/15/02/57/569150257.db2.gz ISGODUKPCNMHMO-UHFFFAOYSA-N 0 0 426.494 3.619 50 0 IHAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C ZINC000009955340 569151201 /nfs/dbraw/zinc/15/12/01/569151201.db2.gz CTQZIYPNSODTJS-UHFFFAOYSA-N 0 0 444.443 3.674 50 0 IHAARN Nc1nnc(SCC(=O)Nc2cccc(NC(=O)C3C4CC5CC(C4)CC3C5)c2)s1 ZINC000010059979 569152287 /nfs/dbraw/zinc/15/22/87/569152287.db2.gz ZTAOQDYFRLDDHO-UHFFFAOYSA-N 0 0 443.598 3.862 50 0 IHAARN COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nn2)c1 ZINC000010220836 569153061 /nfs/dbraw/zinc/15/30/61/569153061.db2.gz UDJRHAKLTDYLQE-UHFFFAOYSA-N 0 0 438.509 3.850 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000010216259 569153150 /nfs/dbraw/zinc/15/31/50/569153150.db2.gz BEOBPJAKMHNDBA-PUAOIOHZSA-N 0 0 437.515 3.739 50 0 IHAARN COc1ccc(OC)c2sc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000010218607 569153501 /nfs/dbraw/zinc/15/35/01/569153501.db2.gz ACJCLNRLAINHJA-UHFFFAOYSA-N 0 0 434.539 3.815 50 0 IHAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000071795501 569154338 /nfs/dbraw/zinc/15/43/38/569154338.db2.gz RQAOLZBNQHFCKE-UHFFFAOYSA-N 0 0 435.615 3.976 50 0 IHAARN Cc1cccc(C)c1NC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000013572403 569155648 /nfs/dbraw/zinc/15/56/48/569155648.db2.gz RIEHMTLPCKPGCA-SJORKVTESA-N 0 0 427.595 3.541 50 0 IHAARN O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 ZINC000013654317 569156447 /nfs/dbraw/zinc/15/64/47/569156447.db2.gz ZQKMFXUOHFDPGH-UHFFFAOYSA-N 0 0 444.509 3.845 50 0 IHAARN COc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)cc1OC ZINC000013659446 569156574 /nfs/dbraw/zinc/15/65/74/569156574.db2.gz CBQHJUVKAGWLMF-UHFFFAOYSA-N 0 0 438.915 3.777 50 0 IHAARN O=C(COc1cccc2ccccc21)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000013705716 569156662 /nfs/dbraw/zinc/15/66/62/569156662.db2.gz PBNABKXSWFIPLE-UHFFFAOYSA-N 0 0 439.475 3.519 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000014246345 569158323 /nfs/dbraw/zinc/15/83/23/569158323.db2.gz NMYSPYVPIVWINO-UHFFFAOYSA-N 0 0 449.532 3.891 50 0 IHAARN Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000014318071 569158534 /nfs/dbraw/zinc/15/85/34/569158534.db2.gz CVFOCGGZXSLFLA-AWEZNQCLSA-N 0 0 444.322 3.628 50 0 IHAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c(CC(=O)NCc3ccccc3)nc3ccccc32)c1 ZINC000014290511 569158539 /nfs/dbraw/zinc/15/85/39/569158539.db2.gz XZNFQWPRZTZILU-QFIPXVFZSA-N 0 0 443.547 3.952 50 0 IHAARN Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc(=O)oc2c1C ZINC000089665833 569161019 /nfs/dbraw/zinc/16/10/19/569161019.db2.gz GYMDZDCXRUIGHA-UHFFFAOYSA-N 0 0 446.956 3.570 50 0 IHAARN Cc1nccn1CCCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C ZINC000089672862 569161153 /nfs/dbraw/zinc/16/11/53/569161153.db2.gz LOBVANYEQUYFSW-UHFFFAOYSA-N 0 0 427.526 3.856 50 0 IHAARN COc1cc(CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C2CC2)ccc1OC(F)F ZINC000089702511 569161736 /nfs/dbraw/zinc/16/17/36/569161736.db2.gz RMEWZQMVUSMPRW-UHFFFAOYSA-N 0 0 432.427 3.643 50 0 IHAARN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000089764858 569162393 /nfs/dbraw/zinc/16/23/93/569162393.db2.gz XCIWKHAJFXTHFM-IBGZPJMESA-N 0 0 440.544 3.858 50 0 IHAARN CCOC(=O)N1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 ZINC000016848926 569164328 /nfs/dbraw/zinc/16/43/28/569164328.db2.gz OFBHXLDQOIOEPU-UHFFFAOYSA-N 0 0 446.960 3.950 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1 ZINC000016848739 569164446 /nfs/dbraw/zinc/16/44/46/569164446.db2.gz XAEKQHXCSMOJJK-UHFFFAOYSA-N 0 0 426.542 3.733 50 0 IHAARN O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 ZINC000016849398 569164506 /nfs/dbraw/zinc/16/45/06/569164506.db2.gz QEXCQYMFRSCPFQ-UHFFFAOYSA-N 0 0 434.561 3.862 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000089960461 569168945 /nfs/dbraw/zinc/16/89/45/569168945.db2.gz FTPWYEXXUWNFKU-UHFFFAOYSA-N 0 0 436.599 3.923 50 0 IHAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)c1ccc(CNC(C)=O)o1 ZINC000089960807 569169043 /nfs/dbraw/zinc/16/90/43/569169043.db2.gz MUIDLRUEUWMUDF-SFHVURJKSA-N 0 0 441.311 3.989 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207984069 569170110 /nfs/dbraw/zinc/17/01/10/569170110.db2.gz XQUWNMHJEONILV-MRXNPFEDSA-N 0 0 446.327 3.976 50 0 IHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000017042685 569171656 /nfs/dbraw/zinc/17/16/56/569171656.db2.gz CUYMQNKCCBPTJJ-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1C ZINC000017136115 569174482 /nfs/dbraw/zinc/17/44/82/569174482.db2.gz JJFPDOKZAJHUIP-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1C ZINC000017136104 569174521 /nfs/dbraw/zinc/17/45/21/569174521.db2.gz WMGWTEJVZBTLDG-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1csc2nc(-c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)cn12 ZINC000017144088 569174649 /nfs/dbraw/zinc/17/46/49/569174649.db2.gz OHKQKCDTYFVHKU-UHFFFAOYSA-N 0 0 427.507 3.943 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)NCc1ccccc1 ZINC000017179022 569175648 /nfs/dbraw/zinc/17/56/48/569175648.db2.gz NYZMKZHMBCQCRQ-UHFFFAOYSA-N 0 0 437.590 3.543 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)cc(C)c1C ZINC000170637038 569178292 /nfs/dbraw/zinc/17/82/92/569178292.db2.gz UNNUFFFROORDAJ-UHFFFAOYSA-N 0 0 426.542 3.929 50 0 IHAARN COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002088243 569178436 /nfs/dbraw/zinc/17/84/36/569178436.db2.gz XSTPUQWYWMEPSR-ZIAGYGMSSA-N 0 0 447.255 3.682 50 0 IHAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCc2ccccc21 ZINC000002101628 569179943 /nfs/dbraw/zinc/17/99/43/569179943.db2.gz VZKQRUIKSOTQIP-UHFFFAOYSA-N 0 0 437.496 3.753 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)C(C)C)cc1 ZINC000002104609 569180226 /nfs/dbraw/zinc/18/02/26/569180226.db2.gz KNPLGINMHSHNSJ-OAQYLSRUSA-N 0 0 443.521 3.627 50 0 biogenic IHAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cnccn1 ZINC000002376019 569180774 /nfs/dbraw/zinc/18/07/74/569180774.db2.gz HVNAXIMBVPJOQS-UHFFFAOYSA-N 0 0 433.335 3.557 50 0 IHAARN COc1ccc(C2=NO[C@H](C(=O)c3ccccc3)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000002114948 569182341 /nfs/dbraw/zinc/18/23/41/569182341.db2.gz PCGRSFBRAKJUFB-NOZRDPDXSA-N 0 0 428.444 3.580 50 0 biogenic IHAARN CCOCCCN1CC(=O)N2[C@@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002120285 569183449 /nfs/dbraw/zinc/18/34/49/569183449.db2.gz ITKRNTJIELMOCI-ZEQRLZLVSA-N 0 0 445.563 3.864 50 0 biogenic IHAARN COCCCn1c(CN2CCN(C(=O)C3CC3)CC2)csc1=Nc1cccc(Cl)c1 ZINC000252453026 569184175 /nfs/dbraw/zinc/18/41/75/569184175.db2.gz XGQYDLSQEPSISX-UHFFFAOYSA-N 0 0 449.020 3.526 50 0 IHAARN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3-c3csc(C)n3)n2)n1 ZINC000208010167 569184622 /nfs/dbraw/zinc/18/46/22/569184622.db2.gz VWYANNVKYWORFF-HNNXBMFYSA-N 0 0 434.525 3.677 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252485020 569186574 /nfs/dbraw/zinc/18/65/74/569186574.db2.gz GMMGFWLHBZHPDN-UHFFFAOYSA-N 0 0 431.414 3.779 50 0 IHAARN C[C@@H]1CC[C@H](C(=O)OCc2ccc(Br)cc2COC(=O)[C@@H]2CC[C@@H](C)O2)O1 ZINC000252500077 569188096 /nfs/dbraw/zinc/18/80/96/569188096.db2.gz SMVFDYNPKAIUFG-HLNSBACISA-N 0 0 441.318 3.671 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1nc(C2CC2)cs1)C(F)(F)F ZINC000002191917 569190612 /nfs/dbraw/zinc/19/06/12/569190612.db2.gz QXVUNTWLMSNBLL-MRXNPFEDSA-N 0 0 433.839 3.947 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000252548753 569190845 /nfs/dbraw/zinc/19/08/45/569190845.db2.gz QKAMARBHKQRDQI-WOJBJXKFSA-N 0 0 437.496 3.548 50 0 IHAARN CCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398044 569193924 /nfs/dbraw/zinc/19/39/24/569193924.db2.gz SLNJCYUNZUVNQK-QHCPKHFHSA-N 0 0 438.547 3.556 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000002208461 569194023 /nfs/dbraw/zinc/19/40/23/569194023.db2.gz LBWIHUGBZUIVRN-VIFPVBQESA-N 0 0 436.317 3.936 50 0 IHAARN COCc1nc(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccccc1F ZINC000037398947 569194191 /nfs/dbraw/zinc/19/41/91/569194191.db2.gz HGQMKXRQEVROKQ-UHFFFAOYSA-N 0 0 440.544 3.685 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)NC(C)(C)C)C3CC3)c2)cc1 ZINC000037400058 569194793 /nfs/dbraw/zinc/19/47/93/569194793.db2.gz ZYHOEMDCFSYPFN-UHFFFAOYSA-N 0 0 432.542 3.935 50 0 IHAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)(C)C ZINC000037401230 569195136 /nfs/dbraw/zinc/19/51/36/569195136.db2.gz BXJDGRRLLULDIR-UHFFFAOYSA-N 0 0 449.569 3.874 50 0 IHAARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000027370251 569195467 /nfs/dbraw/zinc/19/54/67/569195467.db2.gz VPAOGQRTMRAOKK-UHFFFAOYSA-N 0 0 433.867 3.563 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCc3ccco3)c2=O)c1 ZINC000037423758 569195477 /nfs/dbraw/zinc/19/54/77/569195477.db2.gz MDRRWHWOPBZSGE-HNNXBMFYSA-N 0 0 437.883 3.585 50 0 IHAARN Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000037492591 569197619 /nfs/dbraw/zinc/19/76/19/569197619.db2.gz KAKZAUGGJNTEAE-OCKHKDLRSA-N 0 0 435.461 3.880 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037511285 569197954 /nfs/dbraw/zinc/19/79/54/569197954.db2.gz UVIOEDNJBFOULU-LSDHHAIUSA-N 0 0 444.915 3.630 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21 ZINC000037511603 569197966 /nfs/dbraw/zinc/19/79/66/569197966.db2.gz STIBDEVYWLPYDY-MRXNPFEDSA-N 0 0 448.450 3.840 50 0 IHAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1 ZINC000037525864 569199089 /nfs/dbraw/zinc/19/90/89/569199089.db2.gz RLWCXIXEABYXMO-UHFFFAOYSA-N 0 0 426.536 3.822 50 0 IHAARN O=C(COc1ccccc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580348 569201852 /nfs/dbraw/zinc/20/18/52/569201852.db2.gz IZOZXQGODCOJIS-UHFFFAOYSA-N 0 0 448.498 3.972 50 0 IHAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)OC)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002216831 569203734 /nfs/dbraw/zinc/20/37/34/569203734.db2.gz WSICIKJUZXWDCJ-NRFANRHFSA-N 0 0 430.551 3.954 50 0 IHAARN COc1cc2c(cc1OC)-c1cc(Nc3cccc(Br)c3)nc(=O)n1CC2 ZINC000002223376 569204791 /nfs/dbraw/zinc/20/47/91/569204791.db2.gz AOIIXQQUYRCPFW-UHFFFAOYSA-N 0 0 428.286 3.990 50 0 IHAARN CCn1c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1cccs1 ZINC000195758089 569205601 /nfs/dbraw/zinc/20/56/01/569205601.db2.gz DUQGFRYWLPMVSF-RRFJBIMHSA-N 0 0 436.603 3.603 50 0 IHAARN Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 ZINC000002233952 569211204 /nfs/dbraw/zinc/21/12/04/569211204.db2.gz IHTOGQAYAIHQIF-UHFFFAOYSA-N 0 0 429.567 3.886 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)cc1 ZINC000002261778 569215795 /nfs/dbraw/zinc/21/57/95/569215795.db2.gz IUMMYQFWGYVYRK-UHFFFAOYSA-N 0 0 433.533 3.696 50 0 IHAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)C2=O)cc1C ZINC000002265079 569216176 /nfs/dbraw/zinc/21/61/76/569216176.db2.gz KEXKOGJAVHZVBA-SFHVURJKSA-N 0 0 425.794 3.906 50 0 IHAARN CCc1cc2c(cc1OCC(=O)N1CC[C@@]3(O)CCCC[C@@H]3C1)oc(=O)c1c2CCCC1 ZINC000015955277 569256861 /nfs/dbraw/zinc/25/68/61/569256861.db2.gz DMIBOEQGDVBRAP-DWXRJYCRSA-N 0 0 439.552 3.767 50 0 biogenic IHAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2C)cc(OC)c1OC ZINC000027527461 569263216 /nfs/dbraw/zinc/26/32/16/569263216.db2.gz YTYHZUCPLLBHRD-UHFFFAOYSA-N 0 0 445.475 3.782 50 0 IHAARN COc1ccc(Br)c(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 ZINC000253401422 569264902 /nfs/dbraw/zinc/26/49/02/569264902.db2.gz MWYZFEYHPQQISP-KRWDZBQOSA-N 0 0 425.348 3.571 50 0 IHAARN COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253414198 569266179 /nfs/dbraw/zinc/26/61/79/569266179.db2.gz WSYUNBMSCHJZJV-FQEVSTJZSA-N 0 0 431.492 3.676 50 0 biogenic IHAARN COc1cc(/C=c2/sc3nc4c(cc(C)c(C)c4Br)n3c2=O)ccc1O ZINC000027531926 569266299 /nfs/dbraw/zinc/26/62/99/569266299.db2.gz AOJKGZMCFCCQCS-OVCLIPMQSA-N 0 0 431.311 3.550 50 0 IHAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000253432947 569269317 /nfs/dbraw/zinc/26/93/17/569269317.db2.gz QCGWSKFFSNKNSM-UHFFFAOYSA-N 0 0 436.455 3.873 50 0 IHAARN Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000002312120 569273018 /nfs/dbraw/zinc/27/30/18/569273018.db2.gz FQAZSDGOMZMZSF-IIBYNOLFSA-N 0 0 432.501 3.553 50 0 IHAARN COc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 ZINC000252494099 569288019 /nfs/dbraw/zinc/28/80/19/569288019.db2.gz NKUGFASIDMSWML-UNMCSNQZSA-N 0 0 439.512 3.627 50 0 IHAARN Cc1nn(-c2nc3ccccc3c(=O)n2OCc2ccccc2)c2c1C(=O)CC(C)(C)C2 ZINC000002372686 569289091 /nfs/dbraw/zinc/28/90/91/569289091.db2.gz XXEMQLICLVABII-UHFFFAOYSA-N 0 0 428.492 3.675 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccc4ccccc4n3)c2C(N)=O)C1 ZINC000008826212 569290979 /nfs/dbraw/zinc/29/09/79/569290979.db2.gz OGFSLWXMHRDZRZ-CFRMROPGSA-N 0 0 449.532 3.715 50 0 IHAARN Cc1ccc(/C=C/C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002405006 569300000 /nfs/dbraw/zinc/30/00/00/569300000.db2.gz YVCZWZIKPBNGDI-SQUSKLHYSA-N 0 0 448.382 3.987 50 0 IHAARN CCCOc1c(Br)cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OCC ZINC000011213234 569301896 /nfs/dbraw/zinc/30/18/96/569301896.db2.gz MFGDMBVYBPQFGK-OAHLLOKOSA-N 0 0 443.363 3.602 50 0 IHAARN COc1cccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002441565 569304148 /nfs/dbraw/zinc/30/41/48/569304148.db2.gz YJRBQYBRHRJSFK-UHFFFAOYSA-N 0 0 430.489 3.997 50 0 IHAARN CCOCCCNC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21 ZINC000002448192 569304598 /nfs/dbraw/zinc/30/45/98/569304598.db2.gz XEOJTGFKQHYNFT-UHFFFAOYSA-N 0 0 431.496 3.515 50 0 IHAARN O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000013015304 569307003 /nfs/dbraw/zinc/30/70/03/569307003.db2.gz WCJACQIVVNIKNU-UHFFFAOYSA-N 0 0 435.855 3.737 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000013037876 569307599 /nfs/dbraw/zinc/30/75/99/569307599.db2.gz WZRSQLROEFPIMJ-UHFFFAOYSA-N 0 0 439.487 3.759 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c1 ZINC000013038716 569307776 /nfs/dbraw/zinc/30/77/76/569307776.db2.gz UADWQIQWSOOKJE-UHFFFAOYSA-N 0 0 441.956 3.580 50 0 IHAARN CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000013349740 569313207 /nfs/dbraw/zinc/31/32/07/569313207.db2.gz QCOVOZQLPNWRDB-UHFFFAOYSA-N 0 0 445.449 3.598 50 0 IHAARN O=C(NCCc1nc2ccccc2[nH]1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000013353411 569313370 /nfs/dbraw/zinc/31/33/70/569313370.db2.gz QBSKBNFFIDTRDK-UHFFFAOYSA-N 0 0 430.512 3.966 50 0 IHAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)c1ccccc1F ZINC000013354853 569313461 /nfs/dbraw/zinc/31/34/61/569313461.db2.gz ROAANTCGWCZMGZ-OAHLLOKOSA-N 0 0 433.555 3.842 50 0 IHAARN CCOc1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccc(OC)cc2)CC3=O)c1 ZINC000013363389 569314084 /nfs/dbraw/zinc/31/40/84/569314084.db2.gz KIXHPJOSTCTEEK-MRXNPFEDSA-N 0 0 432.476 3.947 50 0 IHAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(OC)c4)c3)cc2=O)s1 ZINC000013368108 569314472 /nfs/dbraw/zinc/31/44/72/569314472.db2.gz BZQIDKNPZFYZOY-UHFFFAOYSA-N 0 0 436.493 3.553 50 0 IHAARN Cc1nc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 ZINC000078660107 569316733 /nfs/dbraw/zinc/31/67/33/569316733.db2.gz YGUVFHCASMENEE-OAHLLOKOSA-N 0 0 443.594 3.883 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1csc(-c2cccs2)n1 ZINC000328591567 569317091 /nfs/dbraw/zinc/31/70/91/569317091.db2.gz MKCLQAVWCUOWEE-UHFFFAOYSA-N 0 0 435.596 3.813 50 0 IHAARN O=C(CCCNC(=O)OCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000078975686 569321165 /nfs/dbraw/zinc/32/11/65/569321165.db2.gz JCBBBJPSOBWUPY-LADGPHEKSA-N 0 0 432.524 3.935 50 0 IHAARN CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@@H](O)c1ccccc1F ZINC000078994784 569321627 /nfs/dbraw/zinc/32/16/27/569321627.db2.gz YVSBCHPIIDHMSB-OFNKIYASSA-N 0 0 427.472 3.810 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1 ZINC000079017756 569322233 /nfs/dbraw/zinc/32/22/33/569322233.db2.gz FBICZNDPZCQWQI-SFHVURJKSA-N 0 0 441.553 3.972 50 0 IHAARN Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000079021172 569322408 /nfs/dbraw/zinc/32/24/08/569322408.db2.gz UTTZZMSIMQBJJL-WMLDXEAASA-N 0 0 445.520 3.927 50 0 IHAARN C(Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)[C@@H]1CSCCS1 ZINC000079061589 569323883 /nfs/dbraw/zinc/32/38/83/569323883.db2.gz KQMBYXXUMZCFEO-CQSZACIVSA-N 0 0 436.672 3.663 50 0 IHAARN CC[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000079108532 569326062 /nfs/dbraw/zinc/32/60/62/569326062.db2.gz BYLONEAUOHPNPD-CLJLJLNGSA-N 0 0 446.595 3.958 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccncc4)cc3)c(=O)oc21 ZINC000079502016 569331535 /nfs/dbraw/zinc/33/15/35/569331535.db2.gz ABFZSDUVMMMBSZ-UHFFFAOYSA-N 0 0 430.460 3.601 50 0 IHAARN COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 ZINC000020069065 569333112 /nfs/dbraw/zinc/33/31/12/569333112.db2.gz CJCAMZYPENSJFL-MSOLQXFVSA-N 0 0 443.960 3.510 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020069394 569333238 /nfs/dbraw/zinc/33/32/38/569333238.db2.gz ZYABVDCPOKVHEF-QZTJIDSGSA-N 0 0 436.581 3.960 50 0 IHAARN Cc1ccc(NC(=O)NCn2ncc3c4ccccc4n(C)c3c2=O)c(Br)c1 ZINC000020105409 569334241 /nfs/dbraw/zinc/33/42/41/569334241.db2.gz CBQKLJAIZLJIDU-UHFFFAOYSA-N 0 0 440.301 3.738 50 0 IHAARN CCOCCCNC(=O)CN1c2ccccc2S/C(=C\c2ccc(OC)cc2)C1=O ZINC000020180946 569355271 /nfs/dbraw/zinc/35/52/71/569355271.db2.gz FKWRFRUZATYQGM-QNGOZBTKSA-N 0 0 426.538 3.718 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCCC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208784 569356096 /nfs/dbraw/zinc/35/60/96/569356096.db2.gz AIKGQVKZHWQDRJ-ZEQRLZLVSA-N 0 0 434.536 3.943 50 0 IHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)cc1 ZINC000020241922 569358173 /nfs/dbraw/zinc/35/81/73/569358173.db2.gz FPYQCJFUHQMIOO-YZVOILCLSA-N 0 0 434.558 3.514 50 0 IHAARN CCN1c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242974 569358328 /nfs/dbraw/zinc/35/83/28/569358328.db2.gz YEDHWGHVUFUYKK-MRXNPFEDSA-N 0 0 434.517 3.991 50 0 IHAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000020281314 569358719 /nfs/dbraw/zinc/35/87/19/569358719.db2.gz SSBPLKVPBWNTAZ-QGZVFWFLSA-N 0 0 430.555 3.607 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c3ccccc3)C(C)C)cc2s1 ZINC000020326181 569360549 /nfs/dbraw/zinc/36/05/49/569360549.db2.gz OPURKNKTHZVBRB-JLTOFOAXSA-N 0 0 431.583 3.785 50 0 IHAARN CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3c3ccccc3oc4=O)on2)cc1 ZINC000020329338 569360768 /nfs/dbraw/zinc/36/07/68/569360768.db2.gz UQLZRMRFSCYGTJ-UHFFFAOYSA-N 0 0 430.420 3.835 50 0 IHAARN CCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000095350309 569361720 /nfs/dbraw/zinc/36/17/20/569361720.db2.gz QWGIXMYSJJJHOD-SFHVURJKSA-N 0 0 432.590 3.984 50 0 IHAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)C)cc3)CC2)c(OC)c1 ZINC000095349968 569361752 /nfs/dbraw/zinc/36/17/52/569361752.db2.gz MNOIXNUESZKQSX-UHFFFAOYSA-N 0 0 440.540 3.627 50 0 IHAARN O=C(Nc1cc(Br)c[nH]c1=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000095376554 569362999 /nfs/dbraw/zinc/36/29/99/569362999.db2.gz BIVDTQJBPAJWPJ-UHFFFAOYSA-N 0 0 445.235 3.843 50 0 IHAARN Nc1nc(Cl)cc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 ZINC000095394836 569363561 /nfs/dbraw/zinc/36/35/61/569363561.db2.gz QQBMBALOEJTTDA-LBPRGKRZSA-N 0 0 435.713 3.790 50 0 IHAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020405863 569363860 /nfs/dbraw/zinc/36/38/60/569363860.db2.gz LSAVFPTYVANTBF-UHFFFAOYSA-N 0 0 442.519 3.957 50 0 IHAARN O=C(NC1CCCC1)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000020416125 569364526 /nfs/dbraw/zinc/36/45/26/569364526.db2.gz SIHLFOYSOJZZDN-LJQANCHMSA-N 0 0 431.540 3.574 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@H]43)CC2)c2ccccc12 ZINC000095410790 569365330 /nfs/dbraw/zinc/36/53/30/569365330.db2.gz AWUULEBLJRQDCC-WMZHIEFXSA-N 0 0 436.552 3.728 50 0 IHAARN CCc1nc(-c2ccc(C(=O)NCCCc3nnc(SC)n3C3CCCC3)cc2)n[nH]1 ZINC000095429428 569366094 /nfs/dbraw/zinc/36/60/94/569366094.db2.gz SJRKGBKVRYHUKJ-UHFFFAOYSA-N 0 0 439.589 3.825 50 0 IHAARN COc1c(Br)cc(Br)cc1CN1CCC[C@H](CNC(C)=O)C1 ZINC000095430361 569366143 /nfs/dbraw/zinc/36/61/43/569366143.db2.gz BICBUQMNVQECSQ-GFCCVEGCSA-N 0 0 434.172 3.568 50 0 IHAARN O=C(Nc1c(F)cc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000095452373 569367897 /nfs/dbraw/zinc/36/78/97/569367897.db2.gz XQMRJTQVRSQXTR-UHFFFAOYSA-N 0 0 432.304 3.567 50 0 IHAARN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 ZINC000095452752 569368137 /nfs/dbraw/zinc/36/81/37/569368137.db2.gz DDJUJXYCHHYRPQ-IFMALSPDSA-N 0 0 433.556 3.738 50 0 IHAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000095454067 569368197 /nfs/dbraw/zinc/36/81/97/569368197.db2.gz JWXXUTQMDKGDTJ-REWPJTCUSA-N 0 0 430.980 3.830 50 0 IHAARN O=C(CCc1cscn1)OCCc1ccccc1COC(=O)CCc1cscn1 ZINC000095456170 569368814 /nfs/dbraw/zinc/36/88/14/569368814.db2.gz NTQOROJLWZLOMI-UHFFFAOYSA-N 0 0 430.551 3.994 50 0 IHAARN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000095456728 569368878 /nfs/dbraw/zinc/36/88/78/569368878.db2.gz YLQOEXLCYDKTMI-JTQLQIEISA-N 0 0 446.907 3.982 50 0 IHAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000095460836 569369745 /nfs/dbraw/zinc/36/97/45/569369745.db2.gz BSUDJYLNLBIUDX-OAHLLOKOSA-N 0 0 430.940 3.515 50 0 IHAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2OC)c1 ZINC000095462028 569370056 /nfs/dbraw/zinc/37/00/56/569370056.db2.gz VGUDXXQPSUJGLE-OAQYLSRUSA-N 0 0 427.522 3.628 50 0 IHAARN O=C([C@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000095462417 569370121 /nfs/dbraw/zinc/37/01/21/569370121.db2.gz ZINAICWIEJTJBY-WOJBJXKFSA-N 0 0 433.474 3.751 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465236 569370681 /nfs/dbraw/zinc/37/06/81/569370681.db2.gz WNJGZCJKPUKVNI-MCIONIFRSA-N 0 0 442.869 3.770 50 0 IHAARN Cc1cc(C)nc(NCc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)c2)n1 ZINC000095467413 569371092 /nfs/dbraw/zinc/37/10/92/569371092.db2.gz JWXXUQOTCLTMHB-INIZCTEOSA-N 0 0 431.496 3.527 50 0 IHAARN COc1ccc(-c2nnc(SCc3nn(C)c(=O)[nH]3)n2-c2ccccc2C(C)C)cc1 ZINC000095468087 569371200 /nfs/dbraw/zinc/37/12/00/569371200.db2.gz ADFFVSSSKNKCMJ-UHFFFAOYSA-N 0 0 436.541 3.780 50 0 IHAARN Cc1cc(=O)c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1C ZINC000095473452 569372449 /nfs/dbraw/zinc/37/24/49/569372449.db2.gz ZWBKIYNXKOELBK-UHFFFAOYSA-N 0 0 439.506 3.585 50 0 IHAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095474170 569372572 /nfs/dbraw/zinc/37/25/72/569372572.db2.gz LAQJHZFMEWGRAJ-OAHLLOKOSA-N 0 0 437.853 3.968 50 0 IHAARN COc1ccc(-n2cc(C(=O)Nc3ccc(OC)nc3)c3ccccc3c2=O)c(OC)c1 ZINC000095474655 569372578 /nfs/dbraw/zinc/37/25/78/569372578.db2.gz ACSPSDGMUGDTHX-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1cccc2[nH]cc([C@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c21 ZINC000095479862 569373827 /nfs/dbraw/zinc/37/38/27/569373827.db2.gz POHHEPQUUUQVCE-DLBZAZTESA-N 0 0 446.956 3.655 50 0 IHAARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095479938 569373830 /nfs/dbraw/zinc/37/38/30/569373830.db2.gz WSIODMUYZBLDLP-IBGZPJMESA-N 0 0 449.020 3.791 50 0 IHAARN O=C(NCCn1ccc2ccc(F)cc21)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000095480583 569373930 /nfs/dbraw/zinc/37/39/30/569373930.db2.gz ZUAIGIVHQXZGOZ-UHFFFAOYSA-N 0 0 449.935 3.794 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3)c(Cl)c2)S1 ZINC000020895883 569375011 /nfs/dbraw/zinc/37/50/11/569375011.db2.gz KVDAWOAYODJSIJ-IBGZPJMESA-N 0 0 433.917 3.799 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 ZINC000095945202 569375839 /nfs/dbraw/zinc/37/58/39/569375839.db2.gz WBCLMLNSIWMCRH-QGZVFWFLSA-N 0 0 439.331 3.577 50 0 IHAARN COc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC000095950324 569376716 /nfs/dbraw/zinc/37/67/16/569376716.db2.gz QHPURDLHFNLHCK-UHFFFAOYSA-N 0 0 428.842 3.523 50 0 IHAARN CC(C)Cn1ncc2cc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 ZINC000095958250 569376981 /nfs/dbraw/zinc/37/69/81/569376981.db2.gz BCRYTILPTLAKFG-DLBZAZTESA-N 0 0 429.565 3.853 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1c(-c2ccco2)nc2ccccn21 ZINC000095964300 569377198 /nfs/dbraw/zinc/37/71/98/569377198.db2.gz DWJYRJWQDLPHLG-UHFFFAOYSA-N 0 0 427.464 3.950 50 0 IHAARN CS(=O)(=O)c1ccc(-c2nc(COC(=O)CCSc3ccccn3)cs2)cc1 ZINC000095964936 569377216 /nfs/dbraw/zinc/37/72/16/569377216.db2.gz IJRLVUSHPCKGIJ-UHFFFAOYSA-N 0 0 434.564 3.834 50 0 IHAARN O=C(NCc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1)c1cccs1 ZINC000095992803 569378316 /nfs/dbraw/zinc/37/83/16/569378316.db2.gz IAEYHOCYAHNEJZ-SFHVURJKSA-N 0 0 432.904 3.934 50 0 IHAARN CC(C)OCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000096006741 569379475 /nfs/dbraw/zinc/37/94/75/569379475.db2.gz NNABDLRWBHJCLP-HXUWFJFHSA-N 0 0 445.503 3.996 50 0 IHAARN COCCN(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1cccc(Br)n1 ZINC000096011109 569379734 /nfs/dbraw/zinc/37/97/34/569379734.db2.gz KLQSFQDVFFJAJJ-UHFFFAOYSA-N 0 0 440.725 3.975 50 0 IHAARN CCSc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)s1 ZINC000096024396 569380517 /nfs/dbraw/zinc/38/05/17/569380517.db2.gz XNZSIMYXWYDXDP-UHFFFAOYSA-N 0 0 436.588 3.580 50 0 IHAARN O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000096099427 569381593 /nfs/dbraw/zinc/38/15/93/569381593.db2.gz QLNJLYSIZNPXQQ-UHFFFAOYSA-N 0 0 434.366 3.620 50 0 IHAARN Cc1c(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1 ZINC000096103490 569381981 /nfs/dbraw/zinc/38/19/81/569381981.db2.gz PRFKNGHAWDVHKL-IBGZPJMESA-N 0 0 429.929 3.523 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105314 569382352 /nfs/dbraw/zinc/38/23/52/569382352.db2.gz XEYKYOGOZMSFHN-UHFFFAOYSA-N 0 0 446.334 3.649 50 0 IHAARN O=C(c1ccc2ccccc2n1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105504 569382400 /nfs/dbraw/zinc/38/24/00/569382400.db2.gz AAISGRVDCVYJOJ-UHFFFAOYSA-N 0 0 448.910 3.615 50 0 IHAARN O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105523 569382454 /nfs/dbraw/zinc/38/24/54/569382454.db2.gz OKLCSLLDYHADKK-UHFFFAOYSA-N 0 0 436.899 3.548 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000096114388 569382878 /nfs/dbraw/zinc/38/28/78/569382878.db2.gz FHQOLEFMKIKCRB-WTKPLQERSA-N 0 0 437.395 3.509 50 0 IHAARN O=C(COc1ccccc1)N1CCC(CNC(=O)c2cc(Br)cs2)CC1 ZINC000096120350 569384938 /nfs/dbraw/zinc/38/49/38/569384938.db2.gz FCVMYKPBRAMQBG-UHFFFAOYSA-N 0 0 437.359 3.558 50 0 IHAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121563 569385046 /nfs/dbraw/zinc/38/50/46/569385046.db2.gz MQMIGKNLVMSBQV-UHFFFAOYSA-N 0 0 435.425 3.750 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2nc3ccncc3n2CC(C)C)C1 ZINC000096125405 569385640 /nfs/dbraw/zinc/38/56/40/569385640.db2.gz FFYNZXLUWUXHJV-OAHLLOKOSA-N 0 0 448.976 3.928 50 0 IHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Cc2nc3cccnc3n2C(C)C)C1 ZINC000096124984 569385644 /nfs/dbraw/zinc/38/56/44/569385644.db2.gz LWCSUHPOKRIYTH-OAHLLOKOSA-N 0 0 448.976 3.928 50 0 IHAARN CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)c3cccc(OC)c3)CC2)N(Cc2ccccc2)C1=O ZINC000096210970 569386615 /nfs/dbraw/zinc/38/66/15/569386615.db2.gz HTYPKZOMUBNIJJ-XXBNENTESA-N 0 0 435.568 3.674 50 0 IHAARN COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(C)cc(=O)oc21 ZINC000096220861 569386785 /nfs/dbraw/zinc/38/67/85/569386785.db2.gz VZYINRNNLUPWPI-SFHVURJKSA-N 0 0 445.471 3.763 50 0 biogenic IHAARN COCCn1cc(C(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)c2ccccc2c1=O ZINC000096222232 569387222 /nfs/dbraw/zinc/38/72/22/569387222.db2.gz CWXBYASEANNZLB-QHCPKHFHSA-N 0 0 445.519 3.945 50 0 biogenic IHAARN COc1ccc(C([C@H]2C(=O)Nc3ccccc3C2=O)[C@H]2C(=O)Nc3ccccc3C2=O)cc1 ZINC000096257596 569388033 /nfs/dbraw/zinc/38/80/33/569388033.db2.gz FTXPRGHYLBJECD-FGZHOGPDSA-N 0 0 440.455 3.681 50 0 IHAARN CCN1C(=S)N[C@@H](c2cc(OC)cc(OC)c2)C(C(=O)Nc2ccccc2OC)=C1C ZINC000096278541 569389132 /nfs/dbraw/zinc/38/91/32/569389132.db2.gz DJCMLNRPUQWEQX-NRFANRHFSA-N 0 0 441.553 3.876 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(C)=O ZINC000096279554 569389469 /nfs/dbraw/zinc/38/94/69/569389469.db2.gz KJZWZASTEMIBGX-NRFANRHFSA-N 0 0 431.895 3.652 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000096287068 569390336 /nfs/dbraw/zinc/39/03/36/569390336.db2.gz PWSWRZIHJUSABO-KDURUIRLSA-N 0 0 426.538 3.779 50 0 IHAARN CCn1c(SCc2ccccc2C(=O)N2CCN(CC)CC2)nnc1-c1ccco1 ZINC000096289591 569390656 /nfs/dbraw/zinc/39/06/56/569390656.db2.gz LKUSNXMDKFQKCT-UHFFFAOYSA-N 0 0 425.558 3.628 50 0 IHAARN COCC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000096289857 569390803 /nfs/dbraw/zinc/39/08/03/569390803.db2.gz QJXYADKUBLTPSQ-UHFFFAOYSA-N 0 0 441.908 3.632 50 0 IHAARN COCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)COCc1ccccc1 ZINC000096292182 569391244 /nfs/dbraw/zinc/39/12/44/569391244.db2.gz XDKAADWZPGRLRM-UHFFFAOYSA-N 0 0 429.904 3.624 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccccc4OC)ncn3)C[C@H]2C)c1 ZINC000096293758 569391696 /nfs/dbraw/zinc/39/16/96/569391696.db2.gz MFYRHSPNLDZSED-QGZVFWFLSA-N 0 0 434.496 3.637 50 0 IHAARN CC(=O)N(Cc1cccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)c1)C(C)C ZINC000096294633 569391783 /nfs/dbraw/zinc/39/17/83/569391783.db2.gz VHICLGRGUGNLSX-UHFFFAOYSA-N 0 0 433.526 3.776 50 0 IHAARN COCc1nc(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(C)c1 ZINC000096316814 569392854 /nfs/dbraw/zinc/39/28/54/569392854.db2.gz CCVGUWKMNHBWAW-UHFFFAOYSA-N 0 0 434.584 3.848 50 0 IHAARN CCCn1c2ccc(-c3noc(-c4ccccc4Br)n3)cc2[nH]c(=O)c1=O ZINC000096321521 569394034 /nfs/dbraw/zinc/39/40/34/569394034.db2.gz SDABDTPLCYKMRF-UHFFFAOYSA-N 0 0 427.258 3.579 50 0 IHAARN COc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(CCc3ccccc3)c4=O)n2)c1 ZINC000096320221 569394065 /nfs/dbraw/zinc/39/40/65/569394065.db2.gz HYYIUXBJXFOFBK-UHFFFAOYSA-N 0 0 440.459 3.658 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc(F)cc3)c4=O)n2)c1 ZINC000096320213 569394073 /nfs/dbraw/zinc/39/40/73/569394073.db2.gz HAYUVMLRMZGNDT-UHFFFAOYSA-N 0 0 428.423 3.903 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c1 ZINC000096322560 569394675 /nfs/dbraw/zinc/39/46/75/569394675.db2.gz WEKVEYVKONBWEA-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)sc3C)CC2)c1 ZINC000096323460 569395403 /nfs/dbraw/zinc/39/54/03/569395403.db2.gz DBUZBTYPLRXMPO-UHFFFAOYSA-N 0 0 433.555 3.539 50 0 IHAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)NCCc2ccccc2)C4)cc1 ZINC000096323760 569395509 /nfs/dbraw/zinc/39/55/09/569395509.db2.gz OXDGDQTYGQOPEB-UHFFFAOYSA-N 0 0 433.537 3.777 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCc2c(sc3nc(-c4ccccc4)nn23)C1 ZINC000096323911 569395588 /nfs/dbraw/zinc/39/55/88/569395588.db2.gz KBXWOOWMICVCLW-UHFFFAOYSA-N 0 0 433.493 3.819 50 0 IHAARN CCOc1ccc(C(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)[C@H](C)CC)cc1OCC ZINC000096332513 569396528 /nfs/dbraw/zinc/39/65/28/569396528.db2.gz CRBRHSICJXGLQK-VFNWGFHPSA-N 0 0 438.528 3.565 50 0 IHAARN COc1c2c(cc(C[C@H]3CC(c4sc5nc(C)cc(C)c5c4N)=NO3)c1OC)OCO2 ZINC000096335744 569396664 /nfs/dbraw/zinc/39/66/64/569396664.db2.gz NPWMPCIEXGLKLJ-ZDUSSCGKSA-N 0 0 441.509 3.977 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000096345456 569397213 /nfs/dbraw/zinc/39/72/13/569397213.db2.gz YTDYLXHKJDLBHK-OAHLLOKOSA-N 0 0 447.470 3.602 50 0 IHAARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2=O)cc1 ZINC000096358597 569397507 /nfs/dbraw/zinc/39/75/07/569397507.db2.gz JFXGBTPATXBQND-UHFFFAOYSA-N 0 0 436.943 3.972 50 0 IHAARN CC[C@@H](NC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)c1ccc(OC)cc1 ZINC000096385814 569398317 /nfs/dbraw/zinc/39/83/17/569398317.db2.gz OGEVHGYCYIRSKJ-HXUWFJFHSA-N 0 0 434.471 3.602 50 0 IHAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)Cc3cccc(Cl)c3)c2=O)cc1 ZINC000096386005 569398346 /nfs/dbraw/zinc/39/83/46/569398346.db2.gz IWRFKWUWWRHXGC-UHFFFAOYSA-N 0 0 434.927 3.567 50 0 IHAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4cccc(F)c4)cs3)CC2)c1 ZINC000096386310 569398444 /nfs/dbraw/zinc/39/84/44/569398444.db2.gz MTEFUWAIEVEENO-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c(OC)c1 ZINC000096386951 569398772 /nfs/dbraw/zinc/39/87/72/569398772.db2.gz KZQKUOWASBWUIS-NRFANRHFSA-N 0 0 431.492 3.815 50 0 IHAARN COc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)c1OC ZINC000096387005 569398775 /nfs/dbraw/zinc/39/87/75/569398775.db2.gz CMQVKGOKCLEPEZ-FQEVSTJZSA-N 0 0 431.492 3.815 50 0 IHAARN COc1ccc(OC)c(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)c1 ZINC000096387044 569398779 /nfs/dbraw/zinc/39/87/79/569398779.db2.gz XEDDHPPHOHBULF-OAQYLSRUSA-N 0 0 431.492 3.815 50 0 IHAARN COc1cccc(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)c2ccccc2)c1OC ZINC000096396620 569399109 /nfs/dbraw/zinc/39/91/09/569399109.db2.gz ZYLYNKVKGCZVSK-HSZRJFAPSA-N 0 0 430.504 3.760 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)c1 ZINC000096399476 569400014 /nfs/dbraw/zinc/40/00/14/569400014.db2.gz IRFDEJKFSALWRU-UHFFFAOYSA-N 0 0 435.552 3.601 50 0 IHAARN CS(=O)(=O)Nc1ccc2nc(SCC(=O)NCCC3=CCCCC3)sc2c1 ZINC000096399479 569400081 /nfs/dbraw/zinc/40/00/81/569400081.db2.gz LDYADCDIDWSGHL-UHFFFAOYSA-N 0 0 425.601 3.767 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)c(C)c1 ZINC000096399508 569400182 /nfs/dbraw/zinc/40/01/82/569400182.db2.gz BMZDCCINLYPUMW-UHFFFAOYSA-N 0 0 437.568 3.716 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3ccc(C)cc3)sc2c1 ZINC000096399556 569400209 /nfs/dbraw/zinc/40/02/09/569400209.db2.gz MUSWZSIWTDPGTN-UHFFFAOYSA-N 0 0 435.596 3.775 50 0 IHAARN O=C(CC1CCCC1)N1CCN(Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000022321641 569402880 /nfs/dbraw/zinc/40/28/80/569402880.db2.gz DITFSYSXGZEBOW-UHFFFAOYSA-N 0 0 428.504 3.582 50 0 IHAARN COc1ccc(CC[C@@H](C)NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 ZINC000097160121 569403126 /nfs/dbraw/zinc/40/31/26/569403126.db2.gz UCNHHTAGECOVNY-CQSZACIVSA-N 0 0 434.330 3.909 50 0 IHAARN Cc1nnc2ccc(-c3ccc(NC(=O)c4cc(OCc5ccccc5)ncn4)cc3)nn12 ZINC000225534846 569403715 /nfs/dbraw/zinc/40/37/15/569403715.db2.gz DBKPJXMHUQZBPP-UHFFFAOYSA-N 0 0 437.463 3.721 50 0 IHAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3cc(OC)ccc3OC)c2c1C ZINC000002477337 569404513 /nfs/dbraw/zinc/40/45/13/569404513.db2.gz NNAFZPCDXCEYQO-UHFFFAOYSA-N 0 0 445.497 3.653 50 0 IHAARN CCOc1ncccc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225562435 569404534 /nfs/dbraw/zinc/40/45/34/569404534.db2.gz IZXTXBHICMQICK-UHFFFAOYSA-N 0 0 437.475 3.615 50 0 IHAARN O=C(Nc1ccccc1CCc1ccccn1)c1cn(C[C@H](O)c2ccccc2F)nn1 ZINC000225581086 569404869 /nfs/dbraw/zinc/40/48/69/569404869.db2.gz IHWCJOYFXHIKAA-QHCPKHFHSA-N 0 0 431.471 3.583 50 0 IHAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000002487011 569405086 /nfs/dbraw/zinc/40/50/86/569405086.db2.gz WKDJGWYHAFCUHD-HXUWFJFHSA-N 0 0 432.542 3.943 50 0 IHAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCn1c(=O)oc2ccccc21 ZINC000028015607 569406221 /nfs/dbraw/zinc/40/62/21/569406221.db2.gz MVSHWLBKHRXHIO-UHFFFAOYSA-N 0 0 449.429 3.881 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3csc4ccccc34)n(C)n2)c1 ZINC000225694161 569407346 /nfs/dbraw/zinc/40/73/46/569407346.db2.gz MYMPNPNYZWHSMM-HXUWFJFHSA-N 0 0 437.521 3.782 50 0 IHAARN Cc1nc(N2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)cc(C(F)(F)F)n1 ZINC000225727076 569407548 /nfs/dbraw/zinc/40/75/48/569407548.db2.gz ZMCKGBDZRHYGHZ-UHFFFAOYSA-N 0 0 430.833 3.924 50 0 IHAARN Cc1nc(N2CCC(NC(=O)COc3ccc(Cl)cc3C)CC2)cc(C(F)(F)F)n1 ZINC000225727229 569407564 /nfs/dbraw/zinc/40/75/64/569407564.db2.gz BRTWCOAAMYMXMT-UHFFFAOYSA-N 0 0 442.869 3.930 50 0 IHAARN COc1cccc(-c2cc(C(=O)N3CC[C@H](Oc4ccc5ccccc5n4)C3)n(C)n2)c1 ZINC000225739236 569407852 /nfs/dbraw/zinc/40/78/52/569407852.db2.gz XZPVWMCJMVMYBX-FQEVSTJZSA-N 0 0 428.492 3.937 50 0 IHAARN Cn1nc(-c2ccccc2)cc1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 ZINC000225755471 569408237 /nfs/dbraw/zinc/40/82/37/569408237.db2.gz UZWJHDVTEPLOFM-UHFFFAOYSA-N 0 0 432.553 3.938 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N(CC(C)C)CC(C)C)C3=O)ccc2c1 ZINC000002619032 569410603 /nfs/dbraw/zinc/41/06/03/569410603.db2.gz GUEBFPXJKVVUTA-RUZDIDTESA-N 0 0 439.556 3.756 50 0 IHAARN O=C(CCCSc1nc2ccccc2s1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000002625325 569411592 /nfs/dbraw/zinc/41/15/92/569411592.db2.gz ZQJOUPZZMZDYDR-UHFFFAOYSA-N 0 0 442.518 3.926 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1N)c1ccccc1 ZINC000002629854 569412090 /nfs/dbraw/zinc/41/20/90/569412090.db2.gz ZAZHRZWLAVQTGA-FQEVSTJZSA-N 0 0 446.536 3.843 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000002629366 569412152 /nfs/dbraw/zinc/41/21/52/569412152.db2.gz ISZDULHJZWDMBG-GFCCVEGCSA-N 0 0 446.878 3.957 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O ZINC000002630835 569412332 /nfs/dbraw/zinc/41/23/32/569412332.db2.gz ZOQOAIPUUVURJI-FNZWTVRRSA-N 0 0 433.552 3.759 50 0 IHAARN CCC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3ccccc3Br)o1)C2=O ZINC000002631873 569412470 /nfs/dbraw/zinc/41/24/70/569412470.db2.gz YRDPBSSOXPOCPA-UHFFFAOYSA-N 0 0 433.306 3.890 50 0 IHAARN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1)CCCC2 ZINC000002632473 569412532 /nfs/dbraw/zinc/41/25/32/569412532.db2.gz XAJUJRKBAFVOOU-CYBMUJFWSA-N 0 0 428.510 3.972 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000002648605 569414412 /nfs/dbraw/zinc/41/44/12/569414412.db2.gz ZQPCZPPPFVWPOR-UHFFFAOYSA-N 0 0 445.548 3.732 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000002651057 569414924 /nfs/dbraw/zinc/41/49/24/569414924.db2.gz VJTIBZBHEDSVLU-VWLOTQADSA-N 0 0 433.508 3.638 50 0 IHAARN Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000002658538 569415736 /nfs/dbraw/zinc/41/57/36/569415736.db2.gz XPZLWVLPDJRCPH-UHFFFAOYSA-N 0 0 426.494 3.790 50 0 IHAARN Cc1nn(C)c(C(=O)Nc2ccn(Cc3cc(F)c(F)c(F)c3F)n2)c1Br ZINC000002786309 569421395 /nfs/dbraw/zinc/42/13/95/569421395.db2.gz QKCSOBNKIVFSDD-UHFFFAOYSA-N 0 0 446.202 3.545 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)c1ccn(COc3ccccc3F)n1)CCCCC2 ZINC000002798272 569422210 /nfs/dbraw/zinc/42/22/10/569422210.db2.gz HTEJTTGRRLTPDI-UHFFFAOYSA-N 0 0 428.489 3.740 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 ZINC000028943295 569423665 /nfs/dbraw/zinc/42/36/65/569423665.db2.gz CBAWBSOAFGSWEW-OAQYLSRUSA-N 0 0 444.564 3.876 50 0 IHAARN COc1ccccc1CNC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938593 569426474 /nfs/dbraw/zinc/42/64/74/569426474.db2.gz MHYXWGLYQIULGB-SFHVURJKSA-N 0 0 448.928 3.668 50 0 IHAARN COc1ccc([C@@H](CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002938774 569426499 /nfs/dbraw/zinc/42/64/99/569426499.db2.gz RTVFPLVWQWCLNW-HXUWFJFHSA-N 0 0 448.928 3.668 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](CC(=O)NCc2ccccc2Cl)c2ccco2)cc1 ZINC000002938511 569426528 /nfs/dbraw/zinc/42/65/28/569426528.db2.gz OVITZYUOOMUEHO-LJQANCHMSA-N 0 0 448.928 3.668 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000056945493 569427930 /nfs/dbraw/zinc/42/79/30/569427930.db2.gz HNZVIRXUGXIGKZ-HXUWFJFHSA-N 0 0 429.442 3.990 50 0 IHAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000057050675 569429243 /nfs/dbraw/zinc/42/92/43/569429243.db2.gz MLDPYTZNUDJUHW-UHFFFAOYSA-N 0 0 444.894 3.508 50 0 IHAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000057058934 569429464 /nfs/dbraw/zinc/42/94/64/569429464.db2.gz XQFGCMNRLFXEOH-HNNXBMFYSA-N 0 0 440.931 3.757 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057142623 569429709 /nfs/dbraw/zinc/42/97/09/569429709.db2.gz IYERFPXIFJOEGP-PGKMIFDNSA-N 0 0 429.879 3.758 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029328528 569429736 /nfs/dbraw/zinc/42/97/36/569429736.db2.gz FGABVLWJAOWSSS-ZDUSSCGKSA-N 0 0 430.357 3.641 50 0 IHAARN COc1cc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000057236063 569430179 /nfs/dbraw/zinc/43/01/79/569430179.db2.gz WQXGJJDBSNLYGK-JXMROGBWSA-N 0 0 427.570 3.740 50 0 IHAARN COc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 ZINC000057363878 569432132 /nfs/dbraw/zinc/43/21/32/569432132.db2.gz OFGFSTSECCTYIZ-UHFFFAOYSA-N 0 0 444.535 3.708 50 0 IHAARN CCCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2ccsc2c1=O ZINC000057425293 569434390 /nfs/dbraw/zinc/43/43/90/569434390.db2.gz ZPNWMJGQHAGAPD-UHFFFAOYSA-N 0 0 449.554 3.625 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C)c(C)c2)c1=O ZINC000057426972 569434702 /nfs/dbraw/zinc/43/47/02/569434702.db2.gz FPLLTVJUMTVSSF-IBGZPJMESA-N 0 0 439.581 3.681 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccccc1C(F)(F)F ZINC000003009284 569435280 /nfs/dbraw/zinc/43/52/80/569435280.db2.gz DUMNMMJFSCDSOV-UHFFFAOYSA-N 0 0 439.390 3.711 50 0 IHAARN CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000057472863 569435648 /nfs/dbraw/zinc/43/56/48/569435648.db2.gz LWRIECIBSXCGTA-UHFFFAOYSA-N 0 0 427.932 3.514 50 0 IHAARN CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O ZINC000057485978 569436368 /nfs/dbraw/zinc/43/63/68/569436368.db2.gz JPQCAKJDUGRQGQ-UHFFFAOYSA-N 0 0 428.539 3.519 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1Cl ZINC000057486123 569436392 /nfs/dbraw/zinc/43/63/92/569436392.db2.gz ZGMXZMDQTSSTKR-UHFFFAOYSA-N 0 0 448.704 3.974 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000057487106 569436641 /nfs/dbraw/zinc/43/66/41/569436641.db2.gz SPJZBQHGXIYXKR-OAHLLOKOSA-N 0 0 446.463 3.820 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057489573 569437053 /nfs/dbraw/zinc/43/70/53/569437053.db2.gz JCRPKQQNTFYLKE-UHFFFAOYSA-N 0 0 445.422 3.871 50 0 IHAARN CSc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)c1 ZINC000057490499 569437190 /nfs/dbraw/zinc/43/71/90/569437190.db2.gz DFCFVFSVFOLXOC-UHFFFAOYSA-N 0 0 441.509 3.714 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)cc1C ZINC000057490965 569437267 /nfs/dbraw/zinc/43/72/67/569437267.db2.gz OFPRELXQWHPBQX-UHFFFAOYSA-N 0 0 448.548 3.535 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)c1C ZINC000057493569 569437545 /nfs/dbraw/zinc/43/75/45/569437545.db2.gz SJDBLSQNEOVSJR-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)c1 ZINC000057493574 569437559 /nfs/dbraw/zinc/43/75/59/569437559.db2.gz USMSEZIJMZGKNL-UHFFFAOYSA-N 0 0 437.496 3.633 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c(C)c1 ZINC000057493209 569437569 /nfs/dbraw/zinc/43/75/69/569437569.db2.gz NOTAZPGYGMXWEF-IBGZPJMESA-N 0 0 445.544 3.634 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O ZINC000057493906 569437646 /nfs/dbraw/zinc/43/76/46/569437646.db2.gz JZOZIYPZBFOLLG-UHFFFAOYSA-N 0 0 439.562 3.784 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)cc1F ZINC000057494464 569437708 /nfs/dbraw/zinc/43/77/08/569437708.db2.gz LIYMDFSGQBKAPP-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)c1 ZINC000057494496 569437718 /nfs/dbraw/zinc/43/77/18/569437718.db2.gz FIYIJXCQWWRPRY-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000057504964 569438194 /nfs/dbraw/zinc/43/81/94/569438194.db2.gz GOYKJTXBPOCQSB-UHFFFAOYSA-N 0 0 428.308 3.720 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)NCc2ccc(C)cc2)cc1 ZINC000003042876 569438513 /nfs/dbraw/zinc/43/85/13/569438513.db2.gz GOTKCGKAGXVWGN-UHFFFAOYSA-N 0 0 429.476 3.705 50 0 IHAARN CCc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3n12 ZINC000057522834 569439004 /nfs/dbraw/zinc/43/90/04/569439004.db2.gz FCEAZEQEIGGFNJ-UHFFFAOYSA-N 0 0 449.820 3.918 50 0 IHAARN Cc1ccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)cc1C ZINC000057522494 569439013 /nfs/dbraw/zinc/43/90/13/569439013.db2.gz YWHAARPXPGMIKG-UHFFFAOYSA-N 0 0 430.508 3.599 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)nc1-c1cccc(Cl)c1 ZINC000057526809 569439093 /nfs/dbraw/zinc/43/90/93/569439093.db2.gz QSVHGUXMLKIIQZ-UHFFFAOYSA-N 0 0 425.872 3.688 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(CC)nc1-c1cccc(Cl)c1 ZINC000057527621 569439177 /nfs/dbraw/zinc/43/91/77/569439177.db2.gz SJTCCYKXXMCEDC-UHFFFAOYSA-N 0 0 439.899 3.942 50 0 IHAARN COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000029989269 569440039 /nfs/dbraw/zinc/44/00/39/569440039.db2.gz WAOZEKMDJMGXFE-UHFFFAOYSA-N 0 0 445.544 3.845 50 0 IHAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000057703608 569441008 /nfs/dbraw/zinc/44/10/08/569441008.db2.gz FANHKTNCCNSQOW-KRWDZBQOSA-N 0 0 431.886 3.876 50 0 IHAARN O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003211117 569441713 /nfs/dbraw/zinc/44/17/13/569441713.db2.gz DRTCKWJTLZNDAY-UHFFFAOYSA-N 0 0 449.400 3.857 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1Cl)OCC(=O)c1ccc(Br)cc1 ZINC000003220870 569441994 /nfs/dbraw/zinc/44/19/94/569441994.db2.gz IRYOQBZIYANKJJ-UHFFFAOYSA-N 0 0 445.718 3.692 50 0 IHAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 ZINC000057865011 569442174 /nfs/dbraw/zinc/44/21/74/569442174.db2.gz AZCSFXJLWBGOFZ-UYAOXDASSA-N 0 0 445.633 3.909 50 0 IHAARN Nc1nnc(S[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1 ZINC000003227135 569442198 /nfs/dbraw/zinc/44/21/98/569442198.db2.gz SGYDSGYUDRBGNV-CQSZACIVSA-N 0 0 426.976 3.586 50 0 IHAARN O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003242790 569442631 /nfs/dbraw/zinc/44/26/31/569442631.db2.gz PBLBNWONQIBEGK-UHFFFAOYSA-N 0 0 427.560 3.905 50 0 IHAARN O=C(NCCSCc1ccc(Br)s1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000030513030 569443066 /nfs/dbraw/zinc/44/30/66/569443066.db2.gz MHUVGXJEWWUQDV-ZDUSSCGKSA-N 0 0 443.388 3.758 50 0 IHAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000003252428 569442989 /nfs/dbraw/zinc/44/29/89/569442989.db2.gz WCWROAOKKNRUBS-INIZCTEOSA-N 0 0 438.569 3.941 50 0 IHAARN O=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1OC(F)F ZINC000003283924 569443988 /nfs/dbraw/zinc/44/39/88/569443988.db2.gz FRWFERZDNWECCZ-UHFFFAOYSA-N 0 0 447.175 3.688 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(Br)s2)C(C)C)c1 ZINC000003284277 569444033 /nfs/dbraw/zinc/44/40/33/569444033.db2.gz SLUANNPDLDDGPE-KRWDZBQOSA-N 0 0 438.343 4.000 50 0 IHAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NCCC1=CCCCC1 ZINC000003286733 569444113 /nfs/dbraw/zinc/44/41/13/569444113.db2.gz YAQGVYROVLAYHA-UHFFFAOYSA-N 0 0 432.476 3.651 50 0 IHAARN COC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc2c1CCCC2 ZINC000003289609 569444222 /nfs/dbraw/zinc/44/42/22/569444222.db2.gz CTAJOMNRHITOAZ-UHFFFAOYSA-N 0 0 448.850 3.886 50 0 IHAARN O=C(COC(=O)[C@H]1CCCN1C(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 ZINC000003296498 569444810 /nfs/dbraw/zinc/44/48/10/569444810.db2.gz ZEWBUXYVLVNDOH-MRXNPFEDSA-N 0 0 441.534 3.658 50 0 IHAARN Cc1sc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2c1C ZINC000003302997 569445111 /nfs/dbraw/zinc/44/51/11/569445111.db2.gz JICOXVIXVDPGCG-UHFFFAOYSA-N 0 0 447.516 3.742 50 0 IHAARN O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000003312948 569445603 /nfs/dbraw/zinc/44/56/03/569445603.db2.gz KKLDUCLMAUAPAR-KRWDZBQOSA-N 0 0 434.489 3.781 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCc2ccccc2C1 ZINC000003320737 569445998 /nfs/dbraw/zinc/44/59/98/569445998.db2.gz RODWTMIHIRSYPM-UHFFFAOYSA-N 0 0 430.913 3.610 50 0 IHAARN O=C(Oc1ccc(Cl)c2ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003353702 569447509 /nfs/dbraw/zinc/44/75/09/569447509.db2.gz FFRUMGIPIKNGBX-UHFFFAOYSA-N 0 0 449.887 3.872 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000058138680 569448479 /nfs/dbraw/zinc/44/84/79/569448479.db2.gz OPGVYVHRQUJLAS-IBGZPJMESA-N 0 0 432.528 3.868 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000504705210 569449018 /nfs/dbraw/zinc/44/90/18/569449018.db2.gz BVNRRQKOVUQHSQ-KSNOWIBYSA-N 0 0 438.524 3.731 50 0 biogenic IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000003399543 569449532 /nfs/dbraw/zinc/44/95/32/569449532.db2.gz LYQWVSFHXRIEIT-KKSFZXQISA-N 0 0 442.537 3.594 50 0 IHAARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C ZINC000003418393 569450294 /nfs/dbraw/zinc/45/02/94/569450294.db2.gz UUTUZYYWGDENPR-AUUYWEPGSA-N 0 0 430.501 3.731 50 0 IHAARN Cc1sc2nc(-c3cccnc3)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C ZINC000003418533 569450334 /nfs/dbraw/zinc/45/03/34/569450334.db2.gz XATIRBTWJDMAHO-UHFFFAOYSA-N 0 0 439.566 3.672 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCC(F)(F)F ZINC000003423348 569450509 /nfs/dbraw/zinc/45/05/09/569450509.db2.gz ATRMGDXMQUJRHM-UHFFFAOYSA-N 0 0 441.862 3.869 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)C(O)(c3ccccc3)c3ccccc3)cc(=O)oc2c1 ZINC000003426314 569450520 /nfs/dbraw/zinc/45/05/20/569450520.db2.gz IBDPOZQZHPXPEY-UHFFFAOYSA-N 0 0 443.455 3.731 50 0 IHAARN COc1cc2nc(SCC(=O)NC3CC3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000003455341 569451785 /nfs/dbraw/zinc/45/17/85/569451785.db2.gz MKGMKUWUBMYLNF-UHFFFAOYSA-N 0 0 443.569 3.675 50 0 IHAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000003461617 569451947 /nfs/dbraw/zinc/45/19/47/569451947.db2.gz BSVQHDHYWDBURZ-AREMUKBSSA-N 0 0 427.504 3.668 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4C[C@@H](C)C[C@H](C)C4)cc3C2=O)c1 ZINC000003471851 569452102 /nfs/dbraw/zinc/45/21/02/569452102.db2.gz AODKRJFSQPLCSG-IRXDYDNUSA-N 0 0 448.519 3.765 50 0 IHAARN CC(C)C(=O)Nc1ccc(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000031024333 569452482 /nfs/dbraw/zinc/45/24/82/569452482.db2.gz BUDPNHJWJUGINQ-UHFFFAOYSA-N 0 0 431.920 3.748 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000003515942 569453116 /nfs/dbraw/zinc/45/31/16/569453116.db2.gz NQGCWLARALFSHO-CQSZACIVSA-N 0 0 429.325 3.703 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000003521319 569453221 /nfs/dbraw/zinc/45/32/21/569453221.db2.gz IPCXFRWIGZAGLC-UHFFFAOYSA-N 0 0 441.509 3.577 50 0 IHAARN CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)c(C)n2n1 ZINC000031079206 569453251 /nfs/dbraw/zinc/45/32/51/569453251.db2.gz WOYQKFIYXAEECX-UHFFFAOYSA-N 0 0 440.573 3.563 50 0 IHAARN CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003533483 569453426 /nfs/dbraw/zinc/45/34/26/569453426.db2.gz MLZBNQAKHDHWLA-SNVBAGLBSA-N 0 0 439.328 3.882 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O ZINC000003533161 569453451 /nfs/dbraw/zinc/45/34/51/569453451.db2.gz LJULUZUCQCVYCQ-UHFFFAOYSA-N 0 0 434.473 3.781 50 0 IHAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000003552884 569453815 /nfs/dbraw/zinc/45/38/15/569453815.db2.gz OJVOMSKWYOUFIY-ZDUSSCGKSA-N 0 0 443.352 3.505 50 0 IHAARN Cc1nn(C[C@@H](O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000058393433 569454139 /nfs/dbraw/zinc/45/41/39/569454139.db2.gz GEQZGKIRDFODOC-HXUWFJFHSA-N 0 0 431.945 3.638 50 0 IHAARN Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2ccncc2)cc1C ZINC000003567145 569454154 /nfs/dbraw/zinc/45/41/54/569454154.db2.gz BEAVZDITFVVKRM-UHFFFAOYSA-N 0 0 441.520 3.801 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003584876 569454429 /nfs/dbraw/zinc/45/44/29/569454429.db2.gz SAKWKZLHOPYGIG-UHFFFAOYSA-N 0 0 433.352 3.810 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@@H]2COc3ccccc3O2)cs1 ZINC000031184137 569454593 /nfs/dbraw/zinc/45/45/93/569454593.db2.gz CBHPERGYFDYONB-LJQANCHMSA-N 0 0 435.549 3.779 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O ZINC000031390613 569456241 /nfs/dbraw/zinc/45/62/41/569456241.db2.gz SUIUKDOCRYHHKO-AUUYWEPGSA-N 0 0 441.578 3.984 50 0 IHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000218228902 569456834 /nfs/dbraw/zinc/45/68/34/569456834.db2.gz XUKNVYXNTXLTEN-SFHVURJKSA-N 0 0 444.447 3.882 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000058858109 569457236 /nfs/dbraw/zinc/45/72/36/569457236.db2.gz QDVOSAHGKGITPH-UHFFFAOYSA-N 0 0 425.485 3.673 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1OCC ZINC000031776322 569457337 /nfs/dbraw/zinc/45/73/37/569457337.db2.gz HYAHXVIGJHDHFE-UHFFFAOYSA-N 0 0 426.922 3.640 50 0 IHAARN CCC(N[C@@H](C)CCC[NH+](CC)CC)=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000058886177 569457513 /nfs/dbraw/zinc/45/75/13/569457513.db2.gz PKLVJTXVSWQUDG-GEXZYOHASA-N 0 0 442.604 3.959 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000031807194 569457539 /nfs/dbraw/zinc/45/75/39/569457539.db2.gz OYOZGRQDPBOSLM-IBGZPJMESA-N 0 0 449.540 3.657 50 0 IHAARN Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCc3cccc(F)c3)n2)cc1 ZINC000032072473 569459299 /nfs/dbraw/zinc/45/92/99/569459299.db2.gz PTZIIKRBUHIDNW-UHFFFAOYSA-N 0 0 435.411 3.646 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2OC)c3=O)c1 ZINC000032087433 569459504 /nfs/dbraw/zinc/45/95/04/569459504.db2.gz QHXZWQGMOGYHDB-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1OC ZINC000032096823 569459886 /nfs/dbraw/zinc/45/98/86/569459886.db2.gz AFMTZKXRXNNTDB-LBPRGKRZSA-N 0 0 429.864 3.774 50 0 IHAARN COc1ccccc1CNC(=O)c1nc(-c2ccc(COc3c(=O)ccoc3C)cc2)no1 ZINC000032102200 569460165 /nfs/dbraw/zinc/46/01/65/569460165.db2.gz OHBZQOIMHOAZEU-UHFFFAOYSA-N 0 0 447.447 3.516 50 0 IHAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)c(C)c1C ZINC000059374066 569461136 /nfs/dbraw/zinc/46/11/36/569461136.db2.gz UHTYMAJLPDQGSX-GOSISDBHSA-N 0 0 432.590 3.557 50 0 IHAARN O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000032517541 569461927 /nfs/dbraw/zinc/46/19/27/569461927.db2.gz GLIRKOHAQVKSQU-UHFFFAOYSA-N 0 0 447.866 3.793 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1 ZINC000038487395 569462905 /nfs/dbraw/zinc/46/29/05/569462905.db2.gz FFUSWKNUKUWKNX-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1C ZINC000038487393 569462908 /nfs/dbraw/zinc/46/29/08/569462908.db2.gz ZSBCIJNNQVFIAM-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1OC ZINC000038487680 569462946 /nfs/dbraw/zinc/46/29/46/569462946.db2.gz IPGOBBMXLCUQNP-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c1C ZINC000067218408 569465001 /nfs/dbraw/zinc/46/50/01/569465001.db2.gz OCZUMAOFEZJQQR-UHFFFAOYSA-N 0 0 425.554 3.622 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(C)c1 ZINC000067226164 569465294 /nfs/dbraw/zinc/46/52/94/569465294.db2.gz PQRQHNYVLULDOM-ZDUSSCGKSA-N 0 0 425.558 3.653 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000067238988 569465643 /nfs/dbraw/zinc/46/56/43/569465643.db2.gz QOUPESVWZUFOGZ-CYBMUJFWSA-N 0 0 430.530 3.752 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067239400 569465704 /nfs/dbraw/zinc/46/57/04/569465704.db2.gz ILFMZGKAXQHIJR-UHFFFAOYSA-N 0 0 443.891 3.941 50 0 IHAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000038652931 569465723 /nfs/dbraw/zinc/46/57/23/569465723.db2.gz WVTXLFVLVRVCRN-UHFFFAOYSA-N 0 0 444.534 3.905 50 0 IHAARN COc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(OC)cc4)c3C)nc2C)cc1 ZINC000038654958 569465810 /nfs/dbraw/zinc/46/58/10/569465810.db2.gz YCPUCNKFJLVFGJ-UHFFFAOYSA-N 0 0 449.536 3.955 50 0 IHAARN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCc1ccc(Cl)cc1 ZINC000067261135 569466475 /nfs/dbraw/zinc/46/64/75/569466475.db2.gz YNNPLVVQFONVBP-UHFFFAOYSA-N 0 0 438.890 3.705 50 0 IHAARN O=S(=O)(c1nnn2c1nc(NCCc1cccs1)c1ccccc12)c1ccccc1 ZINC000067261354 569466534 /nfs/dbraw/zinc/46/65/34/569466534.db2.gz LKNNFEPJGHSBIV-UHFFFAOYSA-N 0 0 435.534 3.826 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287476 569467317 /nfs/dbraw/zinc/46/73/17/569467317.db2.gz FQHWYIAWHMHTPG-XMMPIXPASA-N 0 0 447.535 3.656 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c(OC)c1 ZINC000067289403 569467492 /nfs/dbraw/zinc/46/74/92/569467492.db2.gz XYSUJIXJSXOMGD-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291517 569467630 /nfs/dbraw/zinc/46/76/30/569467630.db2.gz PQUAYDBACTZYDN-GOSISDBHSA-N 0 0 444.576 3.763 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000067291113 569467671 /nfs/dbraw/zinc/46/76/71/569467671.db2.gz MPORVPXOXLDFCA-UHFFFAOYSA-N 0 0 445.500 3.904 50 0 IHAARN Cc1cc2nc(SCC(=O)N[C@H](C)c3ccc(C)cc3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067299678 569468183 /nfs/dbraw/zinc/46/81/83/569468183.db2.gz KACVXZDHTSYXKQ-MRXNPFEDSA-N 0 0 436.537 3.952 50 0 IHAARN CCc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000067301518 569468331 /nfs/dbraw/zinc/46/83/31/569468331.db2.gz CKEBQDROHIHODV-UHFFFAOYSA-N 0 0 425.916 3.608 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000067317992 569468463 /nfs/dbraw/zinc/46/84/63/569468463.db2.gz ICVAAEXKUTWWCO-OAHLLOKOSA-N 0 0 444.491 3.815 50 0 IHAARN O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)NC1CCCCC1 ZINC000067318204 569468488 /nfs/dbraw/zinc/46/84/88/569468488.db2.gz DWCTWHFOQFMISL-UHFFFAOYSA-N 0 0 429.480 3.562 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)c1 ZINC000067322973 569468751 /nfs/dbraw/zinc/46/87/51/569468751.db2.gz BAIYSTOVISJULH-UHFFFAOYSA-N 0 0 446.294 3.987 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000008630531 569469507 /nfs/dbraw/zinc/46/95/07/569469507.db2.gz YDKNHOCNQMMWNY-NSHDSACASA-N 0 0 441.896 3.825 50 0 IHAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000008661459 569469845 /nfs/dbraw/zinc/46/98/45/569469845.db2.gz YEMMZBVMRWFBQC-DNQXCXABSA-N 0 0 434.536 3.799 50 0 IHAARN C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000008707857 569470630 /nfs/dbraw/zinc/47/06/30/569470630.db2.gz VVSADXRFQNKVHE-INIZCTEOSA-N 0 0 433.537 3.949 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3cn4ccsc4n3)ccc2C)c1 ZINC000008709804 569470768 /nfs/dbraw/zinc/47/07/68/569470768.db2.gz CRWNRVIJKIDVCF-UHFFFAOYSA-N 0 0 440.550 3.995 50 0 IHAARN COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000008717599 569471156 /nfs/dbraw/zinc/47/11/56/569471156.db2.gz KXWUASOKXYIAIQ-QFIPXVFZSA-N 0 0 447.539 3.590 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1=O ZINC000008718321 569471248 /nfs/dbraw/zinc/47/12/48/569471248.db2.gz MQSQRNDZRHYKIS-XMMPIXPASA-N 0 0 437.471 3.925 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1 ZINC000008721486 569471746 /nfs/dbraw/zinc/47/17/46/569471746.db2.gz HPSXZYZQSZCHKY-UHFFFAOYSA-N 0 0 444.601 3.758 50 0 IHAARN COc1cc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)ccc1NC(C)=O ZINC000008735273 569472606 /nfs/dbraw/zinc/47/26/06/569472606.db2.gz VYQADPOZTHVDQF-FQEVSTJZSA-N 0 0 434.514 3.922 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000008735909 569472635 /nfs/dbraw/zinc/47/26/35/569472635.db2.gz VQPHSTBFMXPPJU-ZDUSSCGKSA-N 0 0 448.508 3.599 50 0 IHAARN O=C([C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21)C12CC3CC(CC(C3)C1)C2 ZINC000008740373 569472820 /nfs/dbraw/zinc/47/28/20/569472820.db2.gz XXTVWAHGGFLWMY-QWFFBVJESA-N 0 0 431.532 3.613 50 0 biogenic IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000008751226 569473430 /nfs/dbraw/zinc/47/34/30/569473430.db2.gz DURSWYPXVHSYCM-LJQANCHMSA-N 0 0 441.509 3.940 50 0 IHAARN COc1cccc(NC(=O)Cn2c(=O)sc3c2SC[C@H]2COc4ccccc4[C@@H]32)c1 ZINC000008752045 569473521 /nfs/dbraw/zinc/47/35/21/569473521.db2.gz LNLQCSGDEHJTLP-YJYMSZOUSA-N 0 0 440.546 3.803 50 0 IHAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000008755616 569474025 /nfs/dbraw/zinc/47/40/25/569474025.db2.gz RCGOCOMEWPWERU-UHFFFAOYSA-N 0 0 444.520 3.860 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000008757132 569474136 /nfs/dbraw/zinc/47/41/36/569474136.db2.gz KOVXOGFWSDGVGB-UHFFFAOYSA-N 0 0 447.491 3.601 50 0 IHAARN C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008757365 569474166 /nfs/dbraw/zinc/47/41/66/569474166.db2.gz LPBZMSWRZHLHHI-KRWDZBQOSA-N 0 0 432.476 3.794 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc(Br)ccc1N ZINC000008758400 569474188 /nfs/dbraw/zinc/47/41/88/569474188.db2.gz DXZYCEVRNVQMCU-UHFFFAOYSA-N 0 0 429.673 3.639 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)N[C@H](CO)c4ccccc4)ccc3c2=O)cc1 ZINC000008765393 569474726 /nfs/dbraw/zinc/47/47/26/569474726.db2.gz PBMMRATYJWUDEE-HSZRJFAPSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN COc1ccc(CNC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000008790891 569476100 /nfs/dbraw/zinc/47/61/00/569476100.db2.gz AGCUANIGFNRKHK-UKILVPOCSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4cccnc4)c12)OC(C)(C)CC3 ZINC000008792054 569476351 /nfs/dbraw/zinc/47/63/51/569476351.db2.gz IVVXTWDRFSROOK-UHFFFAOYSA-N 0 0 436.508 3.939 50 0 biogenic IHAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008825227 569477341 /nfs/dbraw/zinc/47/73/41/569477341.db2.gz AKLGVXNJLSAGCD-UHFFFAOYSA-N 0 0 444.472 3.928 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)N3CCc4ccccc43)c2=O)cc1 ZINC000008825550 569477390 /nfs/dbraw/zinc/47/73/90/569477390.db2.gz UECHGTOHBLVPRA-UHFFFAOYSA-N 0 0 425.488 3.916 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000008846050 569479002 /nfs/dbraw/zinc/47/90/02/569479002.db2.gz OZBZIKMKVYSFEV-QFIPXVFZSA-N 0 0 428.444 3.951 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F ZINC000008846301 569479033 /nfs/dbraw/zinc/47/90/33/569479033.db2.gz IHWHSKJPXREHMW-MRXNPFEDSA-N 0 0 433.839 3.947 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F ZINC000008846300 569479067 /nfs/dbraw/zinc/47/90/67/569479067.db2.gz IHWHSKJPXREHMW-INIZCTEOSA-N 0 0 433.839 3.947 50 0 IHAARN COc1cccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852130 569479471 /nfs/dbraw/zinc/47/94/71/569479471.db2.gz SHEPYNADQVZHKO-UHFFFAOYSA-N 0 0 445.541 3.881 50 0 IHAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc2c(c1)OCCO2 ZINC000008860968 569479930 /nfs/dbraw/zinc/47/99/30/569479930.db2.gz IDSHFIAYVCROAQ-UHFFFAOYSA-N 0 0 431.901 3.794 50 0 IHAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008862110 569480092 /nfs/dbraw/zinc/48/00/92/569480092.db2.gz JSZUAAUTCAYCIA-CQSZACIVSA-N 0 0 442.566 3.880 50 0 IHAARN COc1ccccc1CCNC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000008865156 569480227 /nfs/dbraw/zinc/48/02/27/569480227.db2.gz LXLPBQJNKSCGNF-UHFFFAOYSA-N 0 0 448.544 3.842 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c(C)c1 ZINC000008862516 569480233 /nfs/dbraw/zinc/48/02/33/569480233.db2.gz PATYYKAKIRGABY-FQEVSTJZSA-N 0 0 429.520 3.873 50 0 IHAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1OCC(C)C ZINC000008869383 569480438 /nfs/dbraw/zinc/48/04/38/569480438.db2.gz PRJJPLQKKGHBNC-QFIPXVFZSA-N 0 0 437.492 3.764 50 0 IHAARN CC(C)C(=O)N1c2ccccc2[C@@]2(c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)C1=O ZINC000008878030 569481272 /nfs/dbraw/zinc/48/12/72/569481272.db2.gz QJSDQZVKVDCCOI-AREMUKBSSA-N 0 0 429.520 3.981 50 0 biogenic IHAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000008880227 569481430 /nfs/dbraw/zinc/48/14/30/569481430.db2.gz MIZBTMHFNXUTTP-UHFFFAOYSA-N 0 0 432.499 3.681 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 ZINC000039478211 569481627 /nfs/dbraw/zinc/48/16/27/569481627.db2.gz GREMLZBTBXKKAB-VXLYETTFSA-N 0 0 436.445 3.628 50 0 IHAARN CC1CCC(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000039639710 569481810 /nfs/dbraw/zinc/48/18/10/569481810.db2.gz KSJOLOPKRGCWDJ-BOWFFMLLSA-N 0 0 426.557 3.620 50 0 IHAARN CC1CCC(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)CC1 ZINC000039639709 569481851 /nfs/dbraw/zinc/48/18/51/569481851.db2.gz KSJOLOPKRGCWDJ-NLDTVIPQSA-N 0 0 426.557 3.620 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O ZINC000040025001 569482831 /nfs/dbraw/zinc/48/28/31/569482831.db2.gz BTBJYRVOIKYQLH-CRICUBBOSA-N 0 0 433.508 3.747 50 0 IHAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000040033457 569483134 /nfs/dbraw/zinc/48/31/34/569483134.db2.gz NLNWWWNXKCAPLW-UHFFFAOYSA-N 0 0 439.519 3.716 50 0 IHAARN CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1)C(C)C ZINC000008885180 569483239 /nfs/dbraw/zinc/48/32/39/569483239.db2.gz CVZIUZSESQPFTM-QHCPKHFHSA-N 0 0 442.947 3.980 50 0 IHAARN COC(=O)c1cccc2c1CCCN2C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000040040692 569483485 /nfs/dbraw/zinc/48/34/85/569483485.db2.gz SIMYRXHFZJBXOB-UHFFFAOYSA-N 0 0 435.505 3.704 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000008897001 569483900 /nfs/dbraw/zinc/48/39/00/569483900.db2.gz AQGCJKUXWYNFQK-JOCHJYFZSA-N 0 0 441.940 3.980 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CCN2C(=O)COc3ccccc32)n(Cc2ccccc2)n1 ZINC000040052614 569484547 /nfs/dbraw/zinc/48/45/47/569484547.db2.gz OYJYBRUSXHWWSJ-UHFFFAOYSA-N 0 0 432.524 3.983 50 0 IHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040057763 569484608 /nfs/dbraw/zinc/48/46/08/569484608.db2.gz IQJJHOLSSSVYCJ-JKSUJKDBSA-N 0 0 428.407 3.506 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059828 569484778 /nfs/dbraw/zinc/48/47/78/569484778.db2.gz VMDFDSMDGNKBMY-CQSZACIVSA-N 0 0 435.318 3.562 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 ZINC000040059819 569484789 /nfs/dbraw/zinc/48/47/89/569484789.db2.gz FIRSXOFRRNCWSO-AWEZNQCLSA-N 0 0 441.509 3.911 50 0 IHAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000008912628 569485071 /nfs/dbraw/zinc/48/50/71/569485071.db2.gz DFWIBZDVLSILMY-KRWDZBQOSA-N 0 0 427.599 3.626 50 0 IHAARN C[C@H](NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21)c1ccccc1 ZINC000008913726 569485355 /nfs/dbraw/zinc/48/53/55/569485355.db2.gz GPZRMBUKYYMXFE-IBGZPJMESA-N 0 0 439.581 3.939 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)oc2c1 ZINC000008915215 569485487 /nfs/dbraw/zinc/48/54/87/569485487.db2.gz FOFADAYFMNCARA-MRXNPFEDSA-N 0 0 440.521 3.774 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008916489 569485779 /nfs/dbraw/zinc/48/57/79/569485779.db2.gz SWVIPWUAHLAHIC-YJBOKZPZSA-N 0 0 439.936 3.771 50 0 IHAARN COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008916991 569485952 /nfs/dbraw/zinc/48/59/52/569485952.db2.gz DSPVIMZAVDGSEW-UHFFFAOYSA-N 0 0 435.864 3.504 50 0 IHAARN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008924042 569487117 /nfs/dbraw/zinc/48/71/17/569487117.db2.gz YEXOXBOQZQKKMM-HXUWFJFHSA-N 0 0 449.503 3.813 50 0 IHAARN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000040090688 569487445 /nfs/dbraw/zinc/48/74/45/569487445.db2.gz AXIHRGSNGNNPOF-HSZRJFAPSA-N 0 0 429.520 3.763 50 0 IHAARN COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cn1 ZINC000040090815 569487447 /nfs/dbraw/zinc/48/74/47/569487447.db2.gz DDIHUPMZWUXJHW-UHFFFAOYSA-N 0 0 432.484 3.817 50 0 IHAARN CCOCCCNC(=O)Cn1ncc2c3ccccc3n(Cc3cc(C)ccc3C)c2c1=O ZINC000008933221 569487812 /nfs/dbraw/zinc/48/78/12/569487812.db2.gz ATEXJNVJQJCHLA-UHFFFAOYSA-N 0 0 446.551 3.559 50 0 IHAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933697 569487878 /nfs/dbraw/zinc/48/78/78/569487878.db2.gz RDRBFXIMZZPYOZ-UHFFFAOYSA-N 0 0 440.507 3.549 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)N1CCOCC1 ZINC000040105587 569488300 /nfs/dbraw/zinc/48/83/00/569488300.db2.gz FDWACESIDNXZPH-JOCHJYFZSA-N 0 0 432.496 3.602 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008940263 569488369 /nfs/dbraw/zinc/48/83/69/569488369.db2.gz JGFPAYYNFAONAI-UHFFFAOYSA-N 0 0 428.606 3.703 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccc(Cl)cc1C ZINC000008944188 569488918 /nfs/dbraw/zinc/48/89/18/569488918.db2.gz GYPGRCBFOFRVLM-UHFFFAOYSA-N 0 0 440.949 3.705 50 0 IHAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000008950161 569489188 /nfs/dbraw/zinc/48/91/88/569489188.db2.gz YNSIFFWZXUDWSP-CQSZACIVSA-N 0 0 439.537 3.787 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000040119814 569489450 /nfs/dbraw/zinc/48/94/50/569489450.db2.gz LBYYVVJDRJHQNO-UHFFFAOYSA-N 0 0 425.920 3.555 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000040121963 569489577 /nfs/dbraw/zinc/48/95/77/569489577.db2.gz VEZHSGJCLYUKGU-QAPCUYQASA-N 0 0 427.932 3.538 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)(C)S[C@@H]21 ZINC000008952636 569489976 /nfs/dbraw/zinc/48/99/76/569489976.db2.gz XIGLTUDNIPUDGN-VCHGGQOGSA-N 0 0 426.538 3.930 50 0 biogenic IHAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)NCCc1ccccc1)c2=O ZINC000008955266 569490117 /nfs/dbraw/zinc/49/01/17/569490117.db2.gz WUPSTVABXYEKSI-UHFFFAOYSA-N 0 0 438.940 3.841 50 0 IHAARN CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000040135417 569490694 /nfs/dbraw/zinc/49/06/94/569490694.db2.gz JXBBCMVTTKMTLF-AWEZNQCLSA-N 0 0 433.940 3.501 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H](CC)n1nc(CC)n2c3cc(C)oc3cc2c1=O ZINC000008965102 569491312 /nfs/dbraw/zinc/49/13/12/569491312.db2.gz WXCTUBGIQLPYAQ-QGZVFWFLSA-N 0 0 436.512 3.779 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H](C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965210 569491349 /nfs/dbraw/zinc/49/13/49/569491349.db2.gz GPPKACQPQIXLFV-GOSISDBHSA-N 0 0 430.508 3.690 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000040140454 569491632 /nfs/dbraw/zinc/49/16/32/569491632.db2.gz OSASWSBPINHGTR-UHFFFAOYSA-N 0 0 427.482 3.650 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000008966023 569491674 /nfs/dbraw/zinc/49/16/74/569491674.db2.gz YFPVCAXMOSIUHS-KRWDZBQOSA-N 0 0 448.504 3.576 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000008968159 569491749 /nfs/dbraw/zinc/49/17/49/569491749.db2.gz LREIUWNUEVUUTK-GOSISDBHSA-N 0 0 439.555 3.689 50 0 IHAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000040143791 569491942 /nfs/dbraw/zinc/49/19/42/569491942.db2.gz IATYRKHYDMHRHL-UHFFFAOYSA-N 0 0 427.508 3.650 50 0 IHAARN CCCCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccc(N2CCOCC2)cc1 ZINC000040146268 569492238 /nfs/dbraw/zinc/49/22/38/569492238.db2.gz XYKHRQHZKWHZSN-UHFFFAOYSA-N 0 0 442.556 3.925 50 0 IHAARN CCCCN(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(N2CCOCC2)cc1 ZINC000040146269 569492244 /nfs/dbraw/zinc/49/22/44/569492244.db2.gz NRYMZVDJNSCHJA-UHFFFAOYSA-N 0 0 436.508 3.842 50 0 IHAARN COc1ccccc1-c1nn(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(=S)o1 ZINC000040149180 569492437 /nfs/dbraw/zinc/49/24/37/569492437.db2.gz YMFYUBZYXGQDON-MRXNPFEDSA-N 0 0 439.541 3.893 50 0 IHAARN Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1 ZINC000008973007 569492780 /nfs/dbraw/zinc/49/27/80/569492780.db2.gz AWLLDIRIUFCSII-HXUWFJFHSA-N 0 0 435.557 3.761 50 0 IHAARN COC(=O)c1cccc2c1CCCN2Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000040154553 569493746 /nfs/dbraw/zinc/49/37/46/569493746.db2.gz VITXTZBUNGLMMA-UHFFFAOYSA-N 0 0 426.473 3.669 50 0 IHAARN C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000040159224 569494679 /nfs/dbraw/zinc/49/46/79/569494679.db2.gz DNHXLCHGWDACNB-NHYWBVRUSA-N 0 0 442.932 3.746 50 0 IHAARN COc1ccc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000040159818 569494706 /nfs/dbraw/zinc/49/47/06/569494706.db2.gz QKQTZQRLNKIDJP-UHFFFAOYSA-N 0 0 448.928 3.843 50 0 IHAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000008988267 569494960 /nfs/dbraw/zinc/49/49/60/569494960.db2.gz JKUXGWOEBODEQU-UHFFFAOYSA-N 0 0 432.221 3.878 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(nnn(CCN4CCCCC4)c3=O)c21 ZINC000008992009 569495318 /nfs/dbraw/zinc/49/53/18/569495318.db2.gz IZBURGDWAKHUHW-UHFFFAOYSA-N 0 0 440.960 3.911 50 0 IHAARN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000009034055 569497231 /nfs/dbraw/zinc/49/72/31/569497231.db2.gz SEYAJDQTKZROJA-MAUKXSAKSA-N 0 0 449.688 3.901 50 0 biogenic IHAARN COc1cccc(C2=NO[C@]3(CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2)c1OC ZINC000040287261 569498237 /nfs/dbraw/zinc/49/82/37/569498237.db2.gz JLHCUPHDAHLBAQ-FQEVSTJZSA-N 0 0 434.370 3.549 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000245228482 569499746 /nfs/dbraw/zinc/49/97/46/569499746.db2.gz ZVVCGFNPWQUFIO-IVZYZONNSA-N 0 0 443.544 3.571 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 ZINC000009094833 569501218 /nfs/dbraw/zinc/50/12/18/569501218.db2.gz CXNNVJKHXWODGB-CYBMUJFWSA-N 0 0 433.327 3.908 50 0 IHAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O ZINC000009092679 569501244 /nfs/dbraw/zinc/50/12/44/569501244.db2.gz FWTOKFZHEUHYQV-AREMUKBSSA-N 0 0 440.455 3.636 50 0 IHAARN COc1ccc([C@H]2N(C(=O)c3ccccc3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009095057 569501302 /nfs/dbraw/zinc/50/13/02/569501302.db2.gz NZLQYGQDJBKGAW-QHCPKHFHSA-N 0 0 436.533 3.931 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000009097228 569501521 /nfs/dbraw/zinc/50/15/21/569501521.db2.gz HVSYMIHVBVZIHP-UHFFFAOYSA-N 0 0 444.553 3.520 50 0 IHAARN COc1cc(OC)cc(C(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 ZINC000009101306 569501721 /nfs/dbraw/zinc/50/17/21/569501721.db2.gz HXHNYOXQKSEZSF-OAHLLOKOSA-N 0 0 425.268 3.766 50 0 IHAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC000245280770 569502177 /nfs/dbraw/zinc/50/21/77/569502177.db2.gz SMWNNDMTVRZQQC-WIYYLYMNSA-N 0 0 445.485 3.860 50 0 IHAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 ZINC000009111771 569502311 /nfs/dbraw/zinc/50/23/11/569502311.db2.gz HKMABODFTFHNKH-GJZGRUSLSA-N 0 0 444.582 3.780 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)cc1 ZINC000009115142 569502717 /nfs/dbraw/zinc/50/27/17/569502717.db2.gz CCISFZOBIMLBNI-UHFFFAOYSA-N 0 0 426.538 3.991 50 0 IHAARN CC(C)n1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000009116524 569503018 /nfs/dbraw/zinc/50/30/18/569503018.db2.gz OICASOFVBNBEAM-UHFFFAOYSA-N 0 0 429.835 3.922 50 0 IHAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000009118263 569503281 /nfs/dbraw/zinc/50/32/81/569503281.db2.gz JMAHUUYJJAPUNB-UHFFFAOYSA-N 0 0 439.537 3.969 50 0 IHAARN Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccccc1 ZINC000009119293 569503504 /nfs/dbraw/zinc/50/35/04/569503504.db2.gz WNBXBGADQDWCNL-IBGZPJMESA-N 0 0 438.553 3.542 50 0 IHAARN Cc1sc2nc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C ZINC000009119616 569503570 /nfs/dbraw/zinc/50/35/70/569503570.db2.gz DOAKAYHUKYMERC-GOEBONIOSA-N 0 0 435.615 3.966 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000009120195 569503747 /nfs/dbraw/zinc/50/37/47/569503747.db2.gz OVYIDTQWOUKPGB-UHFFFAOYSA-N 0 0 435.855 3.660 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)Cc2ccccc2)cc1 ZINC000009120178 569503794 /nfs/dbraw/zinc/50/37/94/569503794.db2.gz GESADTDTSNMXFV-UHFFFAOYSA-N 0 0 430.570 3.677 50 0 IHAARN Cn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1-c1ccncc1 ZINC000009125876 569504771 /nfs/dbraw/zinc/50/47/71/569504771.db2.gz QLSCOMSSNWVOFV-KRWDZBQOSA-N 0 0 441.944 3.844 50 0 IHAARN Cc1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2Cc2ccco2)c1 ZINC000009126417 569504940 /nfs/dbraw/zinc/50/49/40/569504940.db2.gz VXMCKKQEFOOAIV-UHFFFAOYSA-N 0 0 439.541 3.755 50 0 IHAARN Cc1c(NC(=O)Cn2c3ccccc3nc2-c2cscn2)c(=O)n(-c2ccccc2)n1C ZINC000009126645 569504986 /nfs/dbraw/zinc/50/49/86/569504986.db2.gz OZYJGHRJWBPVIB-UHFFFAOYSA-N 0 0 444.520 3.596 50 0 IHAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)ccc1OCc1c(C)noc1C ZINC000009127909 569505301 /nfs/dbraw/zinc/50/53/01/569505301.db2.gz YJESIPZSVIACAB-UHFFFAOYSA-N 0 0 426.469 3.874 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C(C)C)cc2s1 ZINC000245380828 569505595 /nfs/dbraw/zinc/50/55/95/569505595.db2.gz OPAAQZNJXROOFK-HWKAVOKNSA-N 0 0 437.631 3.849 50 0 IHAARN O=C(/C=C/c1ccco1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000009130382 569506026 /nfs/dbraw/zinc/50/60/26/569506026.db2.gz QMELRZNUGPWMLJ-XSFOEPMVSA-N 0 0 429.469 3.908 50 0 IHAARN O=C(Cc1ccccc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000009130393 569506057 /nfs/dbraw/zinc/50/60/57/569506057.db2.gz NKOMDPYYSZPILM-FQEVSTJZSA-N 0 0 427.497 3.844 50 0 IHAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450481 569506336 /nfs/dbraw/zinc/50/63/36/569506336.db2.gz MVIRLISNZCQGLC-BLLLJJGKSA-N 0 0 441.391 3.605 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)Nc3ccccc3F)c(Br)cc2C[C@@H]1C ZINC000040450609 569506360 /nfs/dbraw/zinc/50/63/60/569506360.db2.gz UGBBKYFINRXBSI-JTQLQIEISA-N 0 0 427.295 3.687 50 0 IHAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c2)n1 ZINC000069445209 569506542 /nfs/dbraw/zinc/50/65/42/569506542.db2.gz GAGYDWHZXFDAFE-OAQYLSRUSA-N 0 0 433.512 3.607 50 0 IHAARN C[C@@H](CC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009152718 569507854 /nfs/dbraw/zinc/50/78/54/569507854.db2.gz OTITVTKWFWAUJB-JTQLQIEISA-N 0 0 442.921 3.714 50 0 IHAARN C[C@@H](CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152781 569507886 /nfs/dbraw/zinc/50/78/86/569507886.db2.gz LKCXYAZQNLIOIJ-LSDHHAIUSA-N 0 0 438.615 3.901 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000009152822 569507888 /nfs/dbraw/zinc/50/78/88/569507888.db2.gz QSMSOYPZGLGDPR-UONOGXRCSA-N 0 0 448.566 3.709 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccccc3C(=O)OCC)c(=O)c21 ZINC000009153401 569508095 /nfs/dbraw/zinc/50/80/95/569508095.db2.gz RNRXNFCOUGMJJR-UHFFFAOYSA-N 0 0 432.480 3.577 50 0 IHAARN Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)N(CCO)C3=O)c(O)c1 ZINC000009184761 569510025 /nfs/dbraw/zinc/51/00/25/569510025.db2.gz FJXORGSGFOXJLU-HXUWFJFHSA-N 0 0 442.313 3.699 50 0 IHAARN Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000009191192 569510643 /nfs/dbraw/zinc/51/06/43/569510643.db2.gz HDNOEZFXVUVNKJ-QGZVFWFLSA-N 0 0 442.364 3.897 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 ZINC000009193608 569510868 /nfs/dbraw/zinc/51/08/68/569510868.db2.gz TXXFAZIWRHXZCA-AREMUKBSSA-N 0 0 427.504 3.932 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000009198050 569511031 /nfs/dbraw/zinc/51/10/31/569511031.db2.gz PKDJUGJAEZEFDX-QZTJIDSGSA-N 0 0 429.933 3.900 50 0 IHAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009203969 569511257 /nfs/dbraw/zinc/51/12/57/569511257.db2.gz HCDOWXVISWQENC-JOCHJYFZSA-N 0 0 448.610 3.607 50 0 IHAARN Cc1nc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc1C(=O)OCC(C)C ZINC000009206215 569511337 /nfs/dbraw/zinc/51/13/37/569511337.db2.gz ILJCCLFJNIQLGC-UHFFFAOYSA-N 0 0 446.916 3.716 50 0 IHAARN CC(C)[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 ZINC000009217908 569512336 /nfs/dbraw/zinc/51/23/36/569512336.db2.gz YJIMBKLLRRGHFU-NRFANRHFSA-N 0 0 430.574 3.771 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000009220508 569512585 /nfs/dbraw/zinc/51/25/85/569512585.db2.gz XWIZAANDUUYTGP-UHFFFAOYSA-N 0 0 439.965 3.738 50 0 IHAARN C[C@H]1Cc2cc(C(=O)COc3ccc(Cl)c4cccnc34)ccc2N1S(C)(=O)=O ZINC000009222734 569512805 /nfs/dbraw/zinc/51/28/05/569512805.db2.gz KTBBIASLNSCUDS-ZDUSSCGKSA-N 0 0 430.913 3.861 50 0 IHAARN O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009223294 569512907 /nfs/dbraw/zinc/51/29/07/569512907.db2.gz HBGUEJQVPMPRAZ-UHFFFAOYSA-N 0 0 426.513 3.696 50 0 IHAARN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009227111 569513356 /nfs/dbraw/zinc/51/33/56/569513356.db2.gz RBJMSDMISQDCTH-UHFFFAOYSA-N 0 0 436.577 3.990 50 0 IHAARN Cn1c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)cc2n(C)c1=O ZINC000009233397 569513872 /nfs/dbraw/zinc/51/38/72/569513872.db2.gz IEUMLMFUNMRDSC-CAOOACKPSA-N 0 0 431.876 3.906 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000009239315 569514528 /nfs/dbraw/zinc/51/45/28/569514528.db2.gz KHBYPWIZBOQYLB-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000009239936 569514620 /nfs/dbraw/zinc/51/46/20/569514620.db2.gz ISXPZIAOGZXLAG-UHFFFAOYSA-N 0 0 444.435 3.700 50 0 IHAARN O=C(CSc1nnc2ccc(-c3ccncc3)nn21)Nc1ccc(Br)cc1 ZINC000009241442 569514714 /nfs/dbraw/zinc/51/47/14/569514714.db2.gz LULHQVXFCKXCHI-UHFFFAOYSA-N 0 0 441.314 3.680 50 0 IHAARN C[C@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)C[C@H](C)O1 ZINC000009244498 569515096 /nfs/dbraw/zinc/51/50/96/569515096.db2.gz KGIMSBGGEBVAFJ-IRXDYDNUSA-N 0 0 439.943 3.667 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000009244985 569515188 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IHAARN COc1cc(OC)cc(-n2nnc(-c3nsc(NC(=O)c4cccc(C)c4)n3)c2C)c1 ZINC000009639112 569555130 /nfs/dbraw/zinc/55/51/30/569555130.db2.gz DXJYLLDNEODFQI-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1OC ZINC000009640124 569555335 /nfs/dbraw/zinc/55/53/35/569555335.db2.gz HRYYKTDSWWMERS-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1CCc1ccc(F)cc1 ZINC000009640291 569555402 /nfs/dbraw/zinc/55/54/02/569555402.db2.gz UGPBTBBCHLMSML-LJQANCHMSA-N 0 0 443.548 3.627 50 0 IHAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N(C)c4ccc(Br)cc4)c3c2c1 ZINC000009640926 569555533 /nfs/dbraw/zinc/55/55/33/569555533.db2.gz ANQYVTZMHMXJTO-UHFFFAOYSA-N 0 0 426.270 3.877 50 0 IHAARN COc1cccc(OCCCSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c1 ZINC000009640967 569555592 /nfs/dbraw/zinc/55/55/92/569555592.db2.gz AATJFZAUNGDSLN-UHFFFAOYSA-N 0 0 426.473 3.794 50 0 IHAARN CCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)N1CCCCC1 ZINC000009642945 569555904 /nfs/dbraw/zinc/55/59/04/569555904.db2.gz XDTBDFXUNXKPCZ-UHFFFAOYSA-N 0 0 449.551 3.930 50 0 IHAARN CCCCc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009644561 569556032 /nfs/dbraw/zinc/55/60/32/569556032.db2.gz ODYKHNHHIUXOBV-UHFFFAOYSA-N 0 0 435.513 3.786 50 0 IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000009645965 569556208 /nfs/dbraw/zinc/55/62/08/569556208.db2.gz AICXRGHWHCPAAQ-UHFFFAOYSA-N 0 0 425.901 3.870 50 0 IHAARN CCCCn1c2nc(COC(=O)[C@H](c3ccccc3)[C@H](C)CC)n(CC)c2c(=O)[nH]c1=O ZINC000009646793 569556311 /nfs/dbraw/zinc/55/63/11/569556311.db2.gz DAZYUSFIGDMXDO-APWZRJJASA-N 0 0 440.544 3.579 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)NCc4ccccc4Cl)nnc32)cc1 ZINC000009651559 569556604 /nfs/dbraw/zinc/55/66/04/569556604.db2.gz PGIGDCDJUUUDKD-UHFFFAOYSA-N 0 0 443.960 3.890 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)cc1OC ZINC000009659204 569556635 /nfs/dbraw/zinc/55/66/35/569556635.db2.gz GTYASWWEWGFZEF-UHFFFAOYSA-N 0 0 441.509 3.911 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccccc3OC)cs2)c1 ZINC000009659233 569556657 /nfs/dbraw/zinc/55/66/57/569556657.db2.gz JIDDPORVIMIBON-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009659659 569556669 /nfs/dbraw/zinc/55/66/69/569556669.db2.gz ANZUDEFRVVTNBE-UHFFFAOYSA-N 0 0 447.253 3.716 50 0 IHAARN O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009661717 569557013 /nfs/dbraw/zinc/55/70/13/569557013.db2.gz YYVLZZKKPYFLRR-UHFFFAOYSA-N 0 0 437.279 3.681 50 0 IHAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661208 569557037 /nfs/dbraw/zinc/55/70/37/569557037.db2.gz CYMKFYTWKISMPC-UHFFFAOYSA-N 0 0 449.396 3.979 50 0 IHAARN O=C(Nc1ccccc1F)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663597 569557264 /nfs/dbraw/zinc/55/72/64/569557264.db2.gz ZUHADHMORIYQSJ-KRWDZBQOSA-N 0 0 432.455 3.709 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1F ZINC000009665993 569557631 /nfs/dbraw/zinc/55/76/31/569557631.db2.gz HRTRWWXWWKXJHB-UHFFFAOYSA-N 0 0 432.407 3.730 50 0 IHAARN C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)NC1CCCC1 ZINC000009669927 569558156 /nfs/dbraw/zinc/55/81/56/569558156.db2.gz NMANFNOUMGGZOY-CQSZACIVSA-N 0 0 437.587 3.542 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009670233 569558289 /nfs/dbraw/zinc/55/82/89/569558289.db2.gz WWSBXXVMXWUHPT-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN Cn1nnnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000009671378 569558562 /nfs/dbraw/zinc/55/85/62/569558562.db2.gz YFXUJAQJRZHQLN-UHFFFAOYSA-N 0 0 431.993 3.953 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C ZINC000009676943 569559491 /nfs/dbraw/zinc/55/94/91/569559491.db2.gz KVWZQMBTRBEBLG-AWEZNQCLSA-N 0 0 434.945 3.830 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)c(C)c1 ZINC000009678007 569559602 /nfs/dbraw/zinc/55/96/02/569559602.db2.gz MNWBYHUAIQPBMN-UHFFFAOYSA-N 0 0 426.908 3.638 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000009678284 569559681 /nfs/dbraw/zinc/55/96/81/569559681.db2.gz RVQRWNCRGWDLFW-QFIPXVFZSA-N 0 0 449.576 3.829 50 0 IHAARN COC(=O)c1cc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc(C(=O)OC)c1 ZINC000009681211 569560264 /nfs/dbraw/zinc/56/02/64/569560264.db2.gz DPACJFOKSLYCBE-NRFANRHFSA-N 0 0 431.448 3.734 50 0 IHAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009686191 569560694 /nfs/dbraw/zinc/56/06/94/569560694.db2.gz CMNBQNXSRNGGIE-UHFFFAOYSA-N 0 0 427.460 3.777 50 0 IHAARN CCn1nc(C)c(CCNC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)c1C ZINC000009686194 569560739 /nfs/dbraw/zinc/56/07/39/569560739.db2.gz OYVHKOHLFNHUFW-UHFFFAOYSA-N 0 0 443.551 3.559 50 0 IHAARN COc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1OC ZINC000009687395 569560794 /nfs/dbraw/zinc/56/07/94/569560794.db2.gz TWQROVQZNWGUSY-UHFFFAOYSA-N 0 0 447.539 3.953 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)c(OC)c1 ZINC000009707801 569561664 /nfs/dbraw/zinc/56/16/64/569561664.db2.gz DGDOOCPDKXDOFQ-UHFFFAOYSA-N 0 0 441.538 3.868 50 0 IHAARN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1C ZINC000009708004 569561776 /nfs/dbraw/zinc/56/17/76/569561776.db2.gz COHQFPOFRDRRPT-UHFFFAOYSA-N 0 0 431.583 3.525 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 ZINC000009712910 569562423 /nfs/dbraw/zinc/56/24/23/569562423.db2.gz AJXUXJWTEHYVEU-UHFFFAOYSA-N 0 0 445.548 3.789 50 0 IHAARN CCN(C(=O)c1ccc(C2CCCCC2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009712984 569562447 /nfs/dbraw/zinc/56/24/47/569562447.db2.gz PIMFPAMWZIJPLK-UHFFFAOYSA-N 0 0 446.551 3.882 50 0 IHAARN COc1cccc(-c2nc(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)c1OC ZINC000009713236 569562562 /nfs/dbraw/zinc/56/25/62/569562562.db2.gz UTKZJILVGGQYQU-UHFFFAOYSA-N 0 0 437.521 3.901 50 0 IHAARN Cc1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C(N)=O)c1C ZINC000009714766 569562868 /nfs/dbraw/zinc/56/28/68/569562868.db2.gz WNVKWUBRWPFUIZ-UHFFFAOYSA-N 0 0 429.523 3.517 50 0 IHAARN O=C(Cc1c[nH]c2ccccc12)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000009720366 569563279 /nfs/dbraw/zinc/56/32/79/569563279.db2.gz BADVJLKHBGDMEC-DEOSSOPVSA-N 0 0 427.460 3.935 50 0 IHAARN C[C@@H](CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000009721849 569563453 /nfs/dbraw/zinc/56/34/53/569563453.db2.gz XFGVWRMTXRXMOF-AWEZNQCLSA-N 0 0 446.956 3.830 50 0 IHAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000009724811 569563793 /nfs/dbraw/zinc/56/37/93/569563793.db2.gz ZZFYXKOTMIIYTD-QFIPXVFZSA-N 0 0 442.544 3.908 50 0 IHAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009728082 569564132 /nfs/dbraw/zinc/56/41/32/569564132.db2.gz ISYSNRNUEVMSOE-OAQYLSRUSA-N 0 0 444.443 3.586 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)N(C)Cc4ccc5c(c4)OCO5)c(=O)c23)cc1 ZINC000009729057 569564205 /nfs/dbraw/zinc/56/42/05/569564205.db2.gz ROGYSGJTFWLHHW-UHFFFAOYSA-N 0 0 447.516 3.821 50 0 IHAARN COc1ccc(C[C@H](NC(=O)c2nn(C)c(=O)c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000009730268 569564417 /nfs/dbraw/zinc/56/44/17/569564417.db2.gz AMFMTGAXYRBVQG-QHCPKHFHSA-N 0 0 443.503 3.665 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1OC ZINC000009737770 569564798 /nfs/dbraw/zinc/56/47/98/569564798.db2.gz VXVMIUNNEXUBDJ-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)cc1 ZINC000009737802 569564799 /nfs/dbraw/zinc/56/47/99/569564799.db2.gz KVALEHACXDAEHH-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-n2cccc2)cc1 ZINC000009738051 569564855 /nfs/dbraw/zinc/56/48/55/569564855.db2.gz DWCMAXNYUMBXPA-UHFFFAOYSA-N 0 0 437.500 3.860 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n2-n2cccc2)cc1 ZINC000009737956 569564857 /nfs/dbraw/zinc/56/48/57/569564857.db2.gz VJEZPKMDBKUMNM-UHFFFAOYSA-N 0 0 437.500 3.860 50 0 IHAARN CCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(C(C)(C)C)cc3)c(C(N)=O)n2)cc1 ZINC000009738939 569564981 /nfs/dbraw/zinc/56/49/81/569564981.db2.gz ZIFWIKAXIPVDGC-UHFFFAOYSA-N 0 0 431.496 3.571 50 0 IHAARN O=C(CSc1nnnn1Cc1cccs1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009746597 569565749 /nfs/dbraw/zinc/56/57/49/569565749.db2.gz KPOIOCFVEOXXQN-SFHVURJKSA-N 0 0 445.570 3.981 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000009761891 569566348 /nfs/dbraw/zinc/56/63/48/569566348.db2.gz MBNALCYAJMBSPM-UHFFFAOYSA-N 0 0 449.507 3.859 50 0 IHAARN O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000071002989 569566600 /nfs/dbraw/zinc/56/66/00/569566600.db2.gz FDXTYLGNRSNJQT-UHFFFAOYSA-N 0 0 426.480 3.740 50 0 IHAARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000009767447 569566903 /nfs/dbraw/zinc/56/69/03/569566903.db2.gz AVZZXFRYEWESKX-UHFFFAOYSA-N 0 0 433.489 3.512 50 0 IHAARN CCn1cc(C(=O)N(C)c2cc(Cl)ccc2OC)c2cc(OC)c(OC)cc2c1=O ZINC000009776669 569567056 /nfs/dbraw/zinc/56/70/56/569567056.db2.gz ZKYZOEXEOUUSBR-UHFFFAOYSA-N 0 0 430.888 3.977 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2ccc(CSC)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000009779034 569567391 /nfs/dbraw/zinc/56/73/91/569567391.db2.gz HSRROALRVHFTKF-FQEVSTJZSA-N 0 0 440.521 3.578 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2ccc(CSC)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009779033 569567407 /nfs/dbraw/zinc/56/74/07/569567407.db2.gz HSRROALRVHFTKF-HXUWFJFHSA-N 0 0 440.521 3.578 50 0 IHAARN Fc1cccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCOCC2)c1 ZINC000009780947 569567489 /nfs/dbraw/zinc/56/74/89/569567489.db2.gz KQBJKGQXBLXSJB-UHFFFAOYSA-N 0 0 427.461 3.783 50 0 IHAARN Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009781380 569567538 /nfs/dbraw/zinc/56/75/38/569567538.db2.gz WYMOPZXHDNQWQZ-UHFFFAOYSA-N 0 0 449.438 3.721 50 0 IHAARN COc1ccc(Cn2nnnc2SCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000009783371 569567763 /nfs/dbraw/zinc/56/77/63/569567763.db2.gz VILZFGSEQXDKOZ-OAHLLOKOSA-N 0 0 441.582 3.740 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000009783029 569567767 /nfs/dbraw/zinc/56/77/67/569567767.db2.gz CXERAOOVMQWNMP-UHFFFAOYSA-N 0 0 442.512 3.931 50 0 IHAARN COc1cccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1 ZINC000009783149 569567788 /nfs/dbraw/zinc/56/77/88/569567788.db2.gz DVCDVBHSBUKNPQ-UHFFFAOYSA-N 0 0 425.535 3.854 50 0 IHAARN Cc1cccc(-n2nnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)c1C ZINC000009783395 569567854 /nfs/dbraw/zinc/56/78/54/569567854.db2.gz MSBMYTWYVVCZQE-LJQANCHMSA-N 0 0 429.546 3.785 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 ZINC000009783804 569567885 /nfs/dbraw/zinc/56/78/85/569567885.db2.gz OJKQGVPNKAQKGT-UHFFFAOYSA-N 0 0 447.607 3.717 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)nn1 ZINC000009787099 569567935 /nfs/dbraw/zinc/56/79/35/569567935.db2.gz HYBSQQDFFSVONG-UHFFFAOYSA-N 0 0 431.901 3.852 50 0 IHAARN Cc1cc(C)n2nc(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nc2n1 ZINC000009789138 569568040 /nfs/dbraw/zinc/56/80/40/569568040.db2.gz LQOQOZVHJOLMSG-HNNXBMFYSA-N 0 0 438.582 3.849 50 0 IHAARN Cn1c2nc3oc(-c4ccc(Cl)cc4)cn3c2c(=O)n(CCCc2ccccc2)c1=O ZINC000009789779 569568147 /nfs/dbraw/zinc/56/81/47/569568147.db2.gz ZXFQJRYPLOJLMH-UHFFFAOYSA-N 0 0 434.883 3.894 50 0 IHAARN Cc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)n[nH]2)cc1 ZINC000009795429 569568449 /nfs/dbraw/zinc/56/84/49/569568449.db2.gz FSXUOKUICUSVHM-UHFFFAOYSA-N 0 0 425.905 3.745 50 0 IHAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000009822201 569569481 /nfs/dbraw/zinc/56/94/81/569569481.db2.gz ROFDQRWDAAXGCB-UHFFFAOYSA-N 0 0 427.464 3.703 50 0 IHAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n21 ZINC000009829358 569570023 /nfs/dbraw/zinc/57/00/23/569570023.db2.gz FZRGHMNSFOUBBP-UHFFFAOYSA-N 0 0 445.854 3.773 50 0 IHAARN CCOc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1OCC ZINC000009829219 569570032 /nfs/dbraw/zinc/57/00/32/569570032.db2.gz GAAVSPVAUSFXKE-UHFFFAOYSA-N 0 0 428.466 3.739 50 0 IHAARN CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000009837912 569570806 /nfs/dbraw/zinc/57/08/06/569570806.db2.gz CYLJTUACWVANOT-UHFFFAOYSA-N 0 0 426.542 3.731 50 0 IHAARN COc1cc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n3nc(C)nc3c2cc1OC ZINC000009838728 569570865 /nfs/dbraw/zinc/57/08/65/569570865.db2.gz AYWTUYFRGCTMGG-UHFFFAOYSA-N 0 0 441.488 3.781 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3Br)n2)cc1 ZINC000009844311 569570907 /nfs/dbraw/zinc/57/09/07/569570907.db2.gz QIKYZPVNRJGWES-UHFFFAOYSA-N 0 0 442.313 3.502 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009847005 569571083 /nfs/dbraw/zinc/57/10/83/569571083.db2.gz ISALGWCFYDOSNM-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009853640 569571483 /nfs/dbraw/zinc/57/14/83/569571483.db2.gz UUQGBGKXWOIIFX-UHFFFAOYSA-N 0 0 426.563 3.998 50 0 IHAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000009856892 569571635 /nfs/dbraw/zinc/57/16/35/569571635.db2.gz KMHZWAVQKPUMJM-UHFFFAOYSA-N 0 0 432.501 3.781 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009862534 569572040 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C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cc2ccccc2o1 ZINC000009945436 569574083 /nfs/dbraw/zinc/57/40/83/569574083.db2.gz YOXYUPIELSRWNQ-OAHLLOKOSA-N 0 0 445.566 3.582 50 0 IHAARN Cc1nn2c(-c3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)o3)nnc2c2ccccc12 ZINC000009942707 569574089 /nfs/dbraw/zinc/57/40/89/569574089.db2.gz PANTWCBZCCPNMM-CQSZACIVSA-N 0 0 433.493 3.885 50 0 IHAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC000009957516 569574788 /nfs/dbraw/zinc/57/47/88/569574788.db2.gz POJICMKZMPZXON-UHFFFAOYSA-N 0 0 447.645 3.852 50 0 IHAARN CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)cc1 ZINC000071326839 569575030 /nfs/dbraw/zinc/57/50/30/569575030.db2.gz RJMIATZBNGSSJI-OAQYLSRUSA-N 0 0 437.521 3.541 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1Cl ZINC000071327230 569575176 /nfs/dbraw/zinc/57/51/76/569575176.db2.gz LBMFYJVLPGCZHP-UHFFFAOYSA-N 0 0 431.855 3.587 50 0 IHAARN C[C@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)N1CCOCC1 ZINC000009960603 569575427 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569580100 /nfs/dbraw/zinc/58/01/00/569580100.db2.gz OZGHYPTWLKFFPZ-UHFFFAOYSA-N 0 0 445.498 3.527 50 0 IHAARN COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000010272566 569580170 /nfs/dbraw/zinc/58/01/70/569580170.db2.gz RKKJZZGIWZGVKF-UHFFFAOYSA-N 0 0 446.326 3.734 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)c(OC)c1 ZINC000010272817 569580216 /nfs/dbraw/zinc/58/02/16/569580216.db2.gz GDEOGEMJRJJYKR-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN COc1cc(-c2noc(-c3nnn(-c4cc(F)ccc4F)c3C)n2)cc(OC)c1OC ZINC000010273398 569580240 /nfs/dbraw/zinc/58/02/40/569580240.db2.gz RJACJYXHYNYSAW-UHFFFAOYSA-N 0 0 429.383 3.597 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768292 569580633 /nfs/dbraw/zinc/58/06/33/569580633.db2.gz PVQVDMLNNYQICP-UHFFFAOYSA-N 0 0 434.887 3.821 50 0 IHAARN O=C(CSc1nccn1Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010379014 569581635 /nfs/dbraw/zinc/58/16/35/569581635.db2.gz IIFOUKAEFIHJSE-UHFFFAOYSA-N 0 0 434.565 3.901 50 0 IHAARN Cc1cc(NC(=O)Cc2cc3c(cc2Br)OCCO3)n(Cc2ccccc2)n1 ZINC000071848117 569582427 /nfs/dbraw/zinc/58/24/27/569582427.db2.gz VDZSUWXTKSJNAO-UHFFFAOYSA-N 0 0 442.313 3.955 50 0 IHAARN CC(C)c1noc(CCC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 ZINC000071851683 569582480 /nfs/dbraw/zinc/58/24/80/569582480.db2.gz VWFRPBMBWWMGQV-INIZCTEOSA-N 0 0 438.450 3.624 50 0 IHAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2nc(C)cc(C)c12 ZINC000010519512 569582726 /nfs/dbraw/zinc/58/27/26/569582726.db2.gz WGPOJBCLULWGJF-UHFFFAOYSA-N 0 0 447.557 3.507 50 0 IHAARN COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)sc2c1 ZINC000044921036 569584701 /nfs/dbraw/zinc/58/47/01/569584701.db2.gz RDBCEEUYUMHDML-UHFFFAOYSA-N 0 0 426.885 3.821 50 0 IHAARN O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077104217 569585614 /nfs/dbraw/zinc/58/56/14/569585614.db2.gz MYNKKJAYTPMJIL-UHFFFAOYSA-N 0 0 434.505 3.805 50 0 IHAARN COc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000077184403 569585878 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429.586 3.791 50 0 IHAARN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CCO2 ZINC000055120128 569587250 /nfs/dbraw/zinc/58/72/50/569587250.db2.gz WDWFVBDXPUIVSF-DEOSSOPVSA-N 0 0 426.520 3.938 50 0 IHAARN COc1ccc(OC)c(-c2csc(C3=C(N)N(c4ccc(N(C)C)cc4)CC3=O)n2)c1 ZINC000034769649 569587605 /nfs/dbraw/zinc/58/76/05/569587605.db2.gz UGURTJIVUIKXJG-UHFFFAOYSA-N 0 0 436.537 3.610 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(C)C ZINC000036117680 569587811 /nfs/dbraw/zinc/58/78/11/569587811.db2.gz NWSQPKSGZIYWJO-GOSISDBHSA-N 0 0 430.570 3.909 50 0 IHAARN CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(Br)cc3)nn2c1=O ZINC000000622866 193859874 /nfs/dbraw/zinc/85/98/74/193859874.db2.gz VSMSIBVQVZFCKQ-UHFFFAOYSA-N 0 0 439.360 3.581 50 0 IHAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000000642331 193868163 /nfs/dbraw/zinc/86/81/63/193868163.db2.gz DZSQYSUPPDSONG-UHFFFAOYSA-N 0 0 449.511 3.768 50 0 IHAARN COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(Cl)c1Cl ZINC000000638740 193866638 /nfs/dbraw/zinc/86/66/38/193866638.db2.gz COZGSHLZIUVQGN-QMMMGPOBSA-N 0 0 437.732 3.794 50 0 IHAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000000645633 193869913 /nfs/dbraw/zinc/86/99/13/193869913.db2.gz YIGXERXMOOINLL-UHFFFAOYSA-N 0 0 431.466 3.668 50 0 IHAARN CCOC(=O)Cn1c(=O)c2c(C)sc(C(=O)OCC)c2nc1-c1ccc(Cl)cc1 ZINC000000653343 193873422 /nfs/dbraw/zinc/87/34/22/193873422.db2.gz PYFGRRNMYSEUNM-UHFFFAOYSA-N 0 0 434.901 3.827 50 0 IHAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)N[C@H](C)CC)c2c1 ZINC000006238506 193893372 /nfs/dbraw/zinc/89/33/72/193893372.db2.gz XIQSPTIGWOECGS-MRXNPFEDSA-N 0 0 440.569 3.904 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3C(F)(F)F)n2)cc1 ZINC000009844345 193903759 /nfs/dbraw/zinc/90/37/59/193903759.db2.gz DWABVJUZMFWARU-UHFFFAOYSA-N 0 0 431.414 3.758 50 0 IHAARN CCCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccc(F)cc1 ZINC000009860873 193911358 /nfs/dbraw/zinc/91/13/58/193911358.db2.gz CYSITHXCZSBMPL-UHFFFAOYSA-N 0 0 430.483 3.965 50 0 IHAARN COc1cccc(CN2CCN(Cc3nc(-c4ccc(F)cc4F)oc3C)CC2=O)c1 ZINC000055073660 193934278 /nfs/dbraw/zinc/93/42/78/193934278.db2.gz ULTJTFYZBGCHKY-UHFFFAOYSA-N 0 0 427.451 3.781 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2[nH]1 ZINC000223232809 193955234 /nfs/dbraw/zinc/95/52/34/193955234.db2.gz WQXTZFPFSJEBSX-CYBMUJFWSA-N 0 0 432.933 3.637 50 0 IHAARN COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000000644607 132228278 /nfs/dbraw/zinc/22/82/78/132228278.db2.gz MKEUMVCQTLTLEL-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1 ZINC000000753760 132230190 /nfs/dbraw/zinc/23/01/90/132230190.db2.gz FVFOZCBFMTVJII-UHFFFAOYSA-N 0 0 437.344 3.632 50 0 IHAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000000806961 132230789 /nfs/dbraw/zinc/23/07/89/132230789.db2.gz PVCMCMRDUGLLBB-UHFFFAOYSA-N 0 0 445.947 3.914 50 0 IHAARN Cc1ccsc1/C=C/C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009478087 132232117 /nfs/dbraw/zinc/23/21/17/132232117.db2.gz JPOOESTWTSDFCG-BQYQJAHWSA-N 0 0 440.956 3.618 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1Br ZINC000000944415 132236032 /nfs/dbraw/zinc/23/60/32/132236032.db2.gz WJBURYKYWFKKEE-UHFFFAOYSA-N 0 0 427.339 3.716 50 0 IHAARN Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000009708652 132236837 /nfs/dbraw/zinc/23/68/37/132236837.db2.gz KERJEBOLYWNFOX-UHFFFAOYSA-N 0 0 435.343 3.784 50 0 IHAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC(C)C)cc1 ZINC000002457836 132254734 /nfs/dbraw/zinc/25/47/34/132254734.db2.gz UXCKWVLSFSICEV-HXUWFJFHSA-N 0 0 448.317 3.570 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)cc1C ZINC000002716031 132256526 /nfs/dbraw/zinc/25/65/26/132256526.db2.gz RNCPPFZUEBRVHK-HNNXBMFYSA-N 0 0 435.553 3.963 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Br ZINC000002880790 132257989 /nfs/dbraw/zinc/25/79/89/132257989.db2.gz YPAJCWSYYLQDQS-UHFFFAOYSA-N 0 0 446.345 3.769 50 0 IHAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2c1C ZINC000003045096 132260923 /nfs/dbraw/zinc/26/09/23/132260923.db2.gz IJXAQTAVWCXHGG-UHFFFAOYSA-N 0 0 440.551 3.603 50 0 IHAARN COc1ccccc1CNC(=O)CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21 ZINC000003585867 132266364 /nfs/dbraw/zinc/26/63/64/132266364.db2.gz MTMONPCSYORETI-OEAKJJBVSA-N 0 0 432.451 3.917 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003665870 132267432 /nfs/dbraw/zinc/26/74/32/132267432.db2.gz WTYWSTVJEFVZIH-HSZRJFAPSA-N 0 0 437.883 3.862 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000003665866 132267514 /nfs/dbraw/zinc/26/75/14/132267514.db2.gz UFWVHBLTGUAXGU-VWLOTQADSA-N 0 0 431.492 3.826 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O ZINC000006249055 132276900 /nfs/dbraw/zinc/27/69/00/132276900.db2.gz QQHDUVDCRPNDGZ-OSPHWJPCSA-N 0 0 426.561 3.752 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cc4c(c5ccccc5n(C)c4=O)n3C)C[C@H]2C)c1 ZINC000006577353 132277745 /nfs/dbraw/zinc/27/77/45/132277745.db2.gz LFPXHKWMBLPDQD-GOSISDBHSA-N 0 0 428.536 3.690 50 0 IHAARN CC(C)Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccco1 ZINC000007459632 132280534 /nfs/dbraw/zinc/28/05/34/132280534.db2.gz OENGFJUVMDQNRD-UHFFFAOYSA-N 0 0 425.558 3.635 50 0 IHAARN O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000008608503 132287594 /nfs/dbraw/zinc/28/75/94/132287594.db2.gz SNKHZCPCMFQGPS-UHFFFAOYSA-N 0 0 427.501 3.869 50 0 IHAARN Cc1ccc(NC(=O)CN2CCSc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1C ZINC000008610971 132288436 /nfs/dbraw/zinc/28/84/36/132288436.db2.gz GNWGOZCBWHDVFC-UHFFFAOYSA-N 0 0 445.610 3.639 50 0 IHAARN Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2C(=O)CCC3)cc1 ZINC000008993047 132299967 /nfs/dbraw/zinc/29/99/67/132299967.db2.gz KKFSHSSBFKQSLP-UHFFFAOYSA-N 0 0 431.496 3.603 50 0 IHAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cc(C)ccc2C)c4=O)c1 ZINC000009089130 132302399 /nfs/dbraw/zinc/30/23/99/132302399.db2.gz NXCLMBPSRKGESD-GOSISDBHSA-N 0 0 443.551 3.658 50 0 IHAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cc(C)ccc2C)c4=O)cc1 ZINC000009110253 132303191 /nfs/dbraw/zinc/30/31/91/132303191.db2.gz WYLZIUWJWWCGDV-GOSISDBHSA-N 0 0 443.551 3.658 50 0 IHAARN Cc1cc(C)cc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)c1 ZINC000009158227 132307278 /nfs/dbraw/zinc/30/72/78/132307278.db2.gz MCPOZCBEAILDNA-IBGZPJMESA-N 0 0 443.551 3.544 50 0 IHAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)cc1 ZINC000009160570 132307407 /nfs/dbraw/zinc/30/74/07/132307407.db2.gz ZIMAAKIAJMWVKI-IBGZPJMESA-N 0 0 443.551 3.626 50 0 IHAARN O=C1NC(=O)[C@@]2(Cc3cc4ccccc4nc3N3CCCC[C@@H]32)C(=O)N1C1CCCCC1 ZINC000009166817 132307505 /nfs/dbraw/zinc/30/75/05/132307505.db2.gz LVGZWTUKNPJEAR-NLFFAJNJSA-N 0 0 432.524 3.547 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000009190006 132307926 /nfs/dbraw/zinc/30/79/26/132307926.db2.gz SPTQPPLJPKRMCQ-XTXLJPNXSA-N 0 0 442.519 3.799 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000009254328 132311184 /nfs/dbraw/zinc/31/11/84/132311184.db2.gz RYBNBHFZBHMLIX-FDDCHVKYSA-N 0 0 448.567 3.907 50 0 IHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1C[C@@H](CC)Oc2ccc(Cl)cc21 ZINC000009265873 132311955 /nfs/dbraw/zinc/31/19/55/132311955.db2.gz SYJNAGQAORMTGL-OAHLLOKOSA-N 0 0 440.949 3.838 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)C2)cc1 ZINC000009405970 132315397 /nfs/dbraw/zinc/31/53/97/132315397.db2.gz KBPFHUYVNSRIFY-ICSRJNTNSA-N 0 0 437.540 3.739 50 0 IHAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc1 ZINC000009406959 132315846 /nfs/dbraw/zinc/31/58/46/132315846.db2.gz KZKQZYDCPHOGRV-ZDUSSCGKSA-N 0 0 434.539 3.511 50 0 IHAARN O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCN(c2ccccc2F)CC1 ZINC000009407512 132315885 /nfs/dbraw/zinc/31/58/85/132315885.db2.gz GHBCOLHXOLXEMI-UHFFFAOYSA-N 0 0 442.537 3.804 50 0 IHAARN COc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)c1OC ZINC000009469342 132318699 /nfs/dbraw/zinc/31/86/99/132318699.db2.gz FGBSHBCYXYAUDU-UHFFFAOYSA-N 0 0 439.537 3.845 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4Cl)C3=O)C[C@@H]2C)c1 ZINC000009561600 132321578 /nfs/dbraw/zinc/32/15/78/132321578.db2.gz VVMFXZVOQMTIKB-IBGZPJMESA-N 0 0 440.975 3.623 50 0 IHAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 ZINC000009587967 132322422 /nfs/dbraw/zinc/32/24/22/132322422.db2.gz XSDHSSHPFFKYRW-AOMKIAJQSA-N 0 0 440.546 3.813 50 0 IHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)nc2ccccc21 ZINC000009608175 132323324 /nfs/dbraw/zinc/32/33/24/132323324.db2.gz FBZLSLOXLAICSD-UHFFFAOYSA-N 0 0 445.445 3.560 50 0 IHAARN O=C(c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4)N1CCN(c2ccccc2)CC1 ZINC000009677849 132325600 /nfs/dbraw/zinc/32/56/00/132325600.db2.gz ZGSZURYMASGTKM-UHFFFAOYSA-N 0 0 444.560 3.750 50 0 IHAARN O=C(c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)N1CCN(c2ccccn2)CC1 ZINC000009731366 132327989 /nfs/dbraw/zinc/32/79/89/132327989.db2.gz MJDJZUUOSGAVNU-LJAQVGFWSA-N 0 0 429.929 3.598 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)CC(C)C)c1 ZINC000009907937 132331434 /nfs/dbraw/zinc/33/14/34/132331434.db2.gz KBXGIQPIJXYMIY-UHFFFAOYSA-N 0 0 437.540 3.810 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000009970135 132333195 /nfs/dbraw/zinc/33/31/95/132333195.db2.gz IULLJWBYGYLJFF-UHFFFAOYSA-N 0 0 436.878 3.546 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1N1CCOCC1 ZINC000010059844 132334475 /nfs/dbraw/zinc/33/44/75/132334475.db2.gz JJKBXVSTPFOIEW-UHFFFAOYSA-N 0 0 439.295 3.878 50 0 IHAARN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)c1C ZINC000010104922 132334703 /nfs/dbraw/zinc/33/47/03/132334703.db2.gz WJXZDUCNKIRLFN-MDWZMJQESA-N 0 0 441.535 3.769 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)c(C)c1 ZINC000010104965 132334713 /nfs/dbraw/zinc/33/47/13/132334713.db2.gz BKWVVHOVGFLYLX-UHFFFAOYSA-N 0 0 443.551 3.688 50 0 IHAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000010557791 132336198 /nfs/dbraw/zinc/33/61/98/132336198.db2.gz AICVJQYUBSLFSA-QGZVFWFLSA-N 0 0 437.569 3.626 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)N1CCSc2ccccc21 ZINC000010716391 132336334 /nfs/dbraw/zinc/33/63/34/132336334.db2.gz WRQSNXQVQVBONV-UHFFFAOYSA-N 0 0 439.274 3.587 50 0 IHAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011224549 132337621 /nfs/dbraw/zinc/33/76/21/132337621.db2.gz MPVBSQJIGDIDRI-CQSZACIVSA-N 0 0 432.450 3.545 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(C)cc4C)nn3)CC2)c(OC)c1 ZINC000011695309 132338721 /nfs/dbraw/zinc/33/87/21/132338721.db2.gz FCCAXUFCIXXSHP-UHFFFAOYSA-N 0 0 432.524 3.740 50 0 IHAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nn2)c(C)c1C ZINC000013008999 132342143 /nfs/dbraw/zinc/34/21/43/132342143.db2.gz LGGOCVWIWONKCE-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1c2ccccc2CC[C@H]1C ZINC000013037924 132342882 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CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2cccc(OC)c2)s1 ZINC000020486767 521486564 /nfs/dbraw/zinc/48/65/64/521486564.db2.gz RERQCUXYJIEQPR-UHFFFAOYSA-N 0 0 446.554 3.631 50 0 IHAARN CCOc1ccccc1CNC(=O)CCn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O ZINC000021885797 521488692 /nfs/dbraw/zinc/48/86/92/521488692.db2.gz QQYPLGYQODBCKO-UHFFFAOYSA-N 0 0 444.535 3.909 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)nc2)ccc1C ZINC000012522537 521496285 /nfs/dbraw/zinc/49/62/85/521496285.db2.gz RMWFGJKSQPEIEQ-UHFFFAOYSA-N 0 0 425.510 3.866 50 0 IHAARN CCOc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423404 521500693 /nfs/dbraw/zinc/50/06/93/521500693.db2.gz AJZBLYOUPUJFER-UHFFFAOYSA-N 0 0 442.475 3.619 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532990 521531664 /nfs/dbraw/zinc/53/16/64/521531664.db2.gz YOVXPMSKFDCDLW-UHFFFAOYSA-N 0 0 447.611 3.769 50 0 IHAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C(C(=O)OC)=C1C ZINC000016609941 521539437 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ZINC000034927943 521703388 /nfs/dbraw/zinc/70/33/88/521703388.db2.gz CXIVQDZYGLVXLZ-DNQXCXABSA-N 0 0 443.503 3.817 50 0 IHAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C1CC1 ZINC000036040502 521739501 /nfs/dbraw/zinc/73/95/01/521739501.db2.gz DIYKZPHIQIIINA-UHFFFAOYSA-N 0 0 432.590 3.515 50 0 IHAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2-c1ccccc1 ZINC000012447732 521831291 /nfs/dbraw/zinc/83/12/91/521831291.db2.gz ODVLLNDDBRZFBQ-UHFFFAOYSA-N 0 0 441.487 3.568 50 0 IHAARN COC(=O)c1cc(CNC(=O)CCc2cccnc2)cc(NC(=O)/C=C/c2ccccc2)c1 ZINC000012726539 521847337 /nfs/dbraw/zinc/84/73/37/521847337.db2.gz VFXUWWZFCIDHJT-FMIVXFBMSA-N 0 0 443.503 3.769 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012779372 521871810 /nfs/dbraw/zinc/87/18/10/521871810.db2.gz WROWMBXUNAVYIX-UHFFFAOYSA-N 0 0 427.932 3.510 50 0 IHAARN COc1cc(-c2nnc(S[C@H]3CCc4ccccc4NC3=O)o2)cc(OC)c1OC ZINC000020726425 521912494 /nfs/dbraw/zinc/91/24/94/521912494.db2.gz ZMRUEYIWGXRHIB-KRWDZBQOSA-N 0 0 427.482 3.808 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)OC ZINC000012890966 521964071 /nfs/dbraw/zinc/96/40/71/521964071.db2.gz JPUZZTXJISQPDB-GMWOSMDTSA-N 0 0 440.540 3.949 50 0 biogenic IHAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000035590054 521975597 /nfs/dbraw/zinc/97/55/97/521975597.db2.gz LWGCZRZSPNRQPB-UHFFFAOYSA-N 0 0 447.325 3.608 50 0 IHAARN COCC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012433930 521985893 /nfs/dbraw/zinc/98/58/93/521985893.db2.gz OOLGTMHXDPUUCY-OAQYLSRUSA-N 0 0 433.618 3.752 50 0 IHAARN COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(OC)cc1OC ZINC000015786063 522052372 /nfs/dbraw/zinc/05/23/72/522052372.db2.gz RFECHMYGDJCMBH-UHFFFAOYSA-N 0 0 426.473 3.866 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(OC)cc1 ZINC000012409545 522059606 /nfs/dbraw/zinc/05/96/06/522059606.db2.gz SYFMRRMZVKWXPW-UHFFFAOYSA-N 0 0 442.537 3.845 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1 ZINC000035766964 522066761 /nfs/dbraw/zinc/06/67/61/522066761.db2.gz LSQNIZCFDSMGQH-GCJKJVERSA-N 0 0 430.520 3.796 50 0 IHAARN COCCn1c(CN(C)Cc2ccsc2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012433504 522067432 /nfs/dbraw/zinc/06/74/32/522067432.db2.gz DMKXFLZKMIAUII-UHFFFAOYSA-N 0 0 425.620 3.720 50 0 IHAARN COCCn1c(CN(C)Cc2cccs2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012433722 522067887 /nfs/dbraw/zinc/06/78/87/522067887.db2.gz GDTPMUXKHLAXSR-UHFFFAOYSA-N 0 0 425.620 3.577 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)NCc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000032974264 522067979 /nfs/dbraw/zinc/06/79/79/522067979.db2.gz NEMDYOAEVRCEID-UHFFFAOYSA-N 0 0 440.540 3.580 50 0 IHAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020980953 522077495 /nfs/dbraw/zinc/07/74/95/522077495.db2.gz FWOTWWXUGRAQPW-LJQANCHMSA-N 0 0 438.597 3.508 50 0 IHAARN CN(C)[C@H](CNC(=O)c1ccccc1I)c1ccccc1Cl ZINC000012748261 522083770 /nfs/dbraw/zinc/08/37/70/522083770.db2.gz IULJHMWDNQDULO-MRXNPFEDSA-N 0 0 428.701 3.977 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4C)CC3)cc2)no1 ZINC000035529860 522147494 /nfs/dbraw/zinc/14/74/94/522147494.db2.gz HQMQSCOPSMRGDL-UHFFFAOYSA-N 0 0 440.931 3.988 50 0 IHAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC ZINC000012418578 522164384 /nfs/dbraw/zinc/16/43/84/522164384.db2.gz OOKWNWMFBAPBHO-UHFFFAOYSA-N 0 0 428.466 3.859 50 0 biogenic,in-vitro IHAARN COc1cc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc(OC)c1OC ZINC000021681265 522164484 /nfs/dbraw/zinc/16/44/84/522164484.db2.gz QEVONIDRJRXNND-UHFFFAOYSA-N 0 0 439.537 3.980 50 0 IHAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)ccc1OC(F)F ZINC000012887692 522164687 /nfs/dbraw/zinc/16/46/87/522164687.db2.gz AXLHMVZGTVXUFX-VXGBXAGGSA-N 0 0 427.473 3.615 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000012662228 522216135 /nfs/dbraw/zinc/21/61/35/522216135.db2.gz CPGAMVYAJYBYBY-BZQUYTCOSA-N 0 0 430.508 3.936 50 0 biogenic IHAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(F)c(F)c2F)c1 ZINC000020717140 522229464 /nfs/dbraw/zinc/22/94/64/522229464.db2.gz MZDWBUSPGVBIRB-IBGZPJMESA-N 0 0 430.386 3.793 50 0 IHAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000012550985 522230448 /nfs/dbraw/zinc/23/04/48/522230448.db2.gz WEBFCNDHZMJKBE-AEFFLSMTSA-N 0 0 440.569 3.660 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)ccc1Cl ZINC000016176766 522261036 /nfs/dbraw/zinc/26/10/36/522261036.db2.gz GHVCCMFXPSYDNK-UHFFFAOYSA-N 0 0 442.968 3.984 50 0 IHAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000012821089 522274722 /nfs/dbraw/zinc/27/47/22/522274722.db2.gz ONTXOIPSIPUSCP-LVMGUKCRSA-N 0 0 427.551 3.581 50 0 IHAARN CC[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 ZINC000012762515 522405038 /nfs/dbraw/zinc/40/50/38/522405038.db2.gz QRLQTRCLKDVKKS-INIZCTEOSA-N 0 0 434.265 3.672 50 0 IHAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O ZINC000012538161 522430734 /nfs/dbraw/zinc/43/07/34/522430734.db2.gz BHYNISNZYVEFRQ-UXHICEINSA-N 0 0 435.568 3.910 50 0 IHAARN COC(=O)c1sccc1NC(=O)CSc1nnc(Nc2ccccc2OC)s1 ZINC000029815819 522444440 /nfs/dbraw/zinc/44/44/40/522444440.db2.gz AXUSJPHVSYSQIS-UHFFFAOYSA-N 0 0 436.540 3.869 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)N(Cc1cccs1)Cc1ccccc1OC ZINC000012934255 522449622 /nfs/dbraw/zinc/44/96/22/522449622.db2.gz SEABWDCGFJIHEU-UHFFFAOYSA-N 0 0 437.564 3.996 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012911082 522516525 /nfs/dbraw/zinc/51/65/25/522516525.db2.gz WKFFLYGCDAKSEX-UHFFFAOYSA-N 0 0 448.350 3.943 50 0 IHAARN COc1cc(NC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc(OC)c1OC ZINC000012407989 522652768 /nfs/dbraw/zinc/65/27/68/522652768.db2.gz YHGWNKOREXABGQ-LJQANCHMSA-N 0 0 430.526 3.728 50 0 IHAARN COc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc(OC)c1 ZINC000020436692 522659945 /nfs/dbraw/zinc/65/99/45/522659945.db2.gz HMYZLMLYZJZCSR-UHFFFAOYSA-N 0 0 435.524 3.880 50 0 IHAARN COc1cc(NC(=O)N2CCN(Cc3nc4ccc(Cl)cc4o3)CC2)cc(OC)c1 ZINC000035534295 522686569 /nfs/dbraw/zinc/68/65/69/522686569.db2.gz CBWOOKNAGOZBLU-UHFFFAOYSA-N 0 0 430.892 3.848 50 0 IHAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)c2ccc[nH]2)cc1OC ZINC000012175079 522728292 /nfs/dbraw/zinc/72/82/92/522728292.db2.gz DJECHTOCNHOJSR-UHFFFAOYSA-N 0 0 442.855 3.977 50 0 IHAARN COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000012419272 522728937 /nfs/dbraw/zinc/72/89/37/522728937.db2.gz AFORJUYJBKAKLB-UHFFFAOYSA-N 0 0 446.503 3.852 50 0 IHAARN COCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000035944444 522734014 /nfs/dbraw/zinc/73/40/14/522734014.db2.gz AADUOHKZNMAKDT-LJQANCHMSA-N 0 0 436.430 3.882 50 0 IHAARN CN(CCCCN1CCOCC1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000020536074 522734150 /nfs/dbraw/zinc/73/41/50/522734150.db2.gz MWXNMBGSIXIMKV-UHFFFAOYSA-N 0 0 425.504 3.742 50 0 IHAARN COc1cc(NC(=S)NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 ZINC000001065961 522736234 /nfs/dbraw/zinc/73/62/34/522736234.db2.gz CHVHHMHAZGDFKC-UHFFFAOYSA-N 0 0 441.534 3.901 50 0 IHAARN COc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)nc(C)n1 ZINC000012226191 522766335 /nfs/dbraw/zinc/76/63/35/522766335.db2.gz DOWPQZGOXXFQEE-UHFFFAOYSA-N 0 0 428.514 3.963 50 0 IHAARN COCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccccc1 ZINC000012323063 522778145 /nfs/dbraw/zinc/77/81/45/522778145.db2.gz JXMOGQQQVILKQD-UHFFFAOYSA-N 0 0 442.537 3.580 50 0 IHAARN CCc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000012597568 522784164 /nfs/dbraw/zinc/78/41/64/522784164.db2.gz IFQHVEXZDMOXOQ-ZDUSSCGKSA-N 0 0 427.448 3.864 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl ZINC000021346208 522809904 /nfs/dbraw/zinc/80/99/04/522809904.db2.gz LVNBBIZPWNQNLQ-KRWDZBQOSA-N 0 0 438.933 3.539 50 0 IHAARN COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC ZINC000012467836 522834279 /nfs/dbraw/zinc/83/42/79/522834279.db2.gz PQMIKCYZTBFGFU-QFIPXVFZSA-N 0 0 449.511 3.848 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 ZINC000035378627 522857300 /nfs/dbraw/zinc/85/73/00/522857300.db2.gz HJSTZQLJPKUDKX-UHFFFAOYSA-N 0 0 449.463 3.753 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(Cl)cc1 ZINC000012515517 522868429 /nfs/dbraw/zinc/86/84/29/522868429.db2.gz NSECFHMUIPAZIM-IBGZPJMESA-N 0 0 430.913 3.994 50 0 IHAARN COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)cc2)c2nccn2C)c1 ZINC000012550211 522884383 /nfs/dbraw/zinc/88/43/83/522884383.db2.gz OYXJYWPFBKDYFN-SFHVURJKSA-N 0 0 430.302 3.719 50 0 IHAARN COC(=O)C1CCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 ZINC000012898485 522908249 /nfs/dbraw/zinc/90/82/49/522908249.db2.gz KFDZWAXFCGALDF-UHFFFAOYSA-N 0 0 425.481 3.809 50 0 biogenic IHAARN COc1cc([C@H](CC(=O)Nc2cccnc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561407 522950275 /nfs/dbraw/zinc/95/02/75/522950275.db2.gz KEBJRHIIWKJALZ-FQEVSTJZSA-N 0 0 447.491 3.833 50 0 IHAARN CC[C@@H](Nc1ncnc2sc(C(=O)N3CCN(C=O)CC3)c(C)c21)c1cccs1 ZINC000012038435 522967707 /nfs/dbraw/zinc/96/77/07/522967707.db2.gz RJNXRGHRHIHRBU-CQSZACIVSA-N 0 0 429.571 3.539 50 0 IHAARN CC[C@H](c1nnc(SCc2nnnn2-c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000012880073 522980289 /nfs/dbraw/zinc/98/02/89/522980289.db2.gz NXTVVUXXVYJXLW-LJQANCHMSA-N 0 0 434.573 3.607 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)Cc1coc3cc(C)c(C)cc13)CC2 ZINC000019060953 523027563 /nfs/dbraw/zinc/02/75/63/523027563.db2.gz CVRLHPCRRNVLNZ-UHFFFAOYSA-N 0 0 437.492 3.737 50 0 IHAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCCC[C@@H]3CO)cc(NC(C)=O)c21 ZINC000011841447 523085061 /nfs/dbraw/zinc/08/50/61/523085061.db2.gz IAEHYVCXWFQXOF-QGZVFWFLSA-N 0 0 438.503 3.808 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2OC)c(C)n3C)cc1 ZINC000035448867 523123098 /nfs/dbraw/zinc/12/30/98/523123098.db2.gz COVFZUPNHSENMC-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN CCn1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)c(C)c1C(=O)OC ZINC000036018748 523123622 /nfs/dbraw/zinc/12/36/22/523123622.db2.gz PXZRKOAFEFRRDO-IBGZPJMESA-N 0 0 444.503 3.555 50 0 IHAARN CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697031 523138215 /nfs/dbraw/zinc/13/82/15/523138215.db2.gz RWLVUMOERYQRNW-HSZRJFAPSA-N 0 0 438.959 3.842 50 0 IHAARN COc1ccc(-c2csc3nc(C)nc(N4CCC[C@H]4C(=O)N(C)C)c23)cc1OC ZINC000012817398 523172673 /nfs/dbraw/zinc/17/26/73/523172673.db2.gz XLAOTVOGXCZPPO-INIZCTEOSA-N 0 0 426.542 3.741 50 0 IHAARN COc1ccc(-c2csc3ncn(C[C@H](O)COc4ccc(F)cc4)c(=O)c23)cc1 ZINC000012771085 523172976 /nfs/dbraw/zinc/17/29/76/523172976.db2.gz JUIHGOMJWAEVBI-INIZCTEOSA-N 0 0 426.469 3.713 50 0 IHAARN COc1ccc(-c2csc3ncnc(Sc4nnnn4C[C@H]4CCCO4)c23)cc1 ZINC000012813899 523173233 /nfs/dbraw/zinc/17/32/33/523173233.db2.gz YCIFCENAZXLGQQ-CQSZACIVSA-N 0 0 426.527 3.684 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012125129 523188720 /nfs/dbraw/zinc/18/87/20/523188720.db2.gz TZVDRCWMPCSWJI-DLBZAZTESA-N 0 0 441.601 3.659 50 0 IHAARN COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1NC(C)=O ZINC000036006869 523209225 /nfs/dbraw/zinc/20/92/25/523209225.db2.gz ISLTWVRVYWADPP-SFHVURJKSA-N 0 0 425.710 3.913 50 0 IHAARN COCc1nc2cccnc2n1C1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012191135 523216503 /nfs/dbraw/zinc/21/65/03/523216503.db2.gz FQAVWHPEDSCZTH-HNNXBMFYSA-N 0 0 428.920 3.862 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccncc5)no4)c3C)c(C)o2)cc1 ZINC000033296935 523218126 /nfs/dbraw/zinc/21/81/26/523218126.db2.gz AZIRJAAOXONPDS-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000012851421 523221468 /nfs/dbraw/zinc/22/14/68/523221468.db2.gz ZXXZSPHRELVSBR-KRWDZBQOSA-N 0 0 449.580 3.861 50 0 IHAARN COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021865054 523292815 /nfs/dbraw/zinc/29/28/15/523292815.db2.gz ACRSAJGJBWWJCO-LLJLJFOGSA-N 0 0 427.545 3.694 50 0 IHAARN COc1ccc(-n2c(=O)n(Cc3nc(-c4ccccc4)oc3C)c(=O)c3cccnc32)cc1 ZINC000021722986 523311621 /nfs/dbraw/zinc/31/16/21/523311621.db2.gz ZSTFKYKGZWJTDZ-UHFFFAOYSA-N 0 0 440.459 3.568 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)Nc3ccnn3C(C)C)c2=O)cc1 ZINC000012872921 523325265 /nfs/dbraw/zinc/32/52/65/523325265.db2.gz ORZXARXIKGUZML-UHFFFAOYSA-N 0 0 431.496 3.743 50 0 IHAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 ZINC000017743177 523329090 /nfs/dbraw/zinc/32/90/90/523329090.db2.gz XCZGNLGOHFFIQH-UHFFFAOYSA-N 0 0 430.533 3.591 50 0 IHAARN COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)ccc1C ZINC000021855384 523362419 /nfs/dbraw/zinc/36/24/19/523362419.db2.gz QTHWFPCGALVVDH-SANMLTNESA-N 0 0 446.551 3.739 50 0 IHAARN CCn1cc([C@@H]2NC(=O)Nc3c4sc5nc(C(F)(F)F)cc(C)c5c4[nH]c(=O)c32)cn1 ZINC000020607323 523469054 /nfs/dbraw/zinc/46/90/54/523469054.db2.gz MKLPWBCJMHDFSG-LBPRGKRZSA-N 0 0 448.430 3.906 50 0 IHAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NC[C@H]2CCCO2)cc1OC ZINC000012706087 523472694 /nfs/dbraw/zinc/47/26/94/523472694.db2.gz GTLUAZQYIHWNKU-HIDBMEOHSA-N 0 0 438.480 3.600 50 0 IHAARN COc1ccc(Br)cc1-c1nc(Cn2nc(C)c3c(C)onc3c2=O)c(C)o1 ZINC000021883183 523489333 /nfs/dbraw/zinc/48/93/33/523489333.db2.gz NNTWBMFMEGBMLV-UHFFFAOYSA-N 0 0 445.273 3.784 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)Cn1cc(-c2nnco2)c2ccccc21 ZINC000035422894 523500637 /nfs/dbraw/zinc/50/06/37/523500637.db2.gz UEPPREJUAOKCFO-UHFFFAOYSA-N 0 0 441.285 3.779 50 0 IHAARN CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000012418984 523552563 /nfs/dbraw/zinc/55/25/63/523552563.db2.gz SPEZWJOIRKUOFO-DQLDELGASA-N 0 0 429.266 3.904 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)CC2)cc1 ZINC000012739246 523575374 /nfs/dbraw/zinc/57/53/74/523575374.db2.gz YTJMZLQRNLHEPZ-QHCPKHFHSA-N 0 0 436.552 3.880 50 0 IHAARN CN(Cc1nccs1)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012714675 523601320 /nfs/dbraw/zinc/60/13/20/523601320.db2.gz RAZILNCJZVLVSW-GOSISDBHSA-N 0 0 433.581 3.964 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)cc1OC1CCN(C(C)=O)CC1 ZINC000012458223 523638318 /nfs/dbraw/zinc/63/83/18/523638318.db2.gz MZHPZIRILINXCO-GOSISDBHSA-N 0 0 429.542 3.519 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cn3nc(-c4cccc(Cl)c4)oc3=S)CC2)cc1 ZINC000012914082 523647274 /nfs/dbraw/zinc/64/72/74/523647274.db2.gz AEWNRKWTAHPFEL-UHFFFAOYSA-N 0 0 444.944 3.950 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1OC ZINC000024023159 523652350 /nfs/dbraw/zinc/65/23/50/523652350.db2.gz ZPWKFOXSCCQSRM-UHFFFAOYSA-N 0 0 433.512 3.508 50 0 IHAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 ZINC000011867500 523745367 /nfs/dbraw/zinc/74/53/67/523745367.db2.gz MOGSNQDPWWYEKT-QFIPXVFZSA-N 0 0 443.521 3.572 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)C1=O ZINC000032970843 523746467 /nfs/dbraw/zinc/74/64/67/523746467.db2.gz NPIKUFTZJXZHNM-QHCPKHFHSA-N 0 0 440.931 3.736 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3F)c3nc(C)ccc3c2=O)cc1 ZINC000020579674 523781821 /nfs/dbraw/zinc/78/18/21/523781821.db2.gz KWLWEIGZZQYFIG-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN CCc1cc(I)ccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000034718668 523788770 /nfs/dbraw/zinc/78/87/70/523788770.db2.gz RLGNEBAHZGBIRJ-VURMDHGXSA-N 0 0 426.279 3.973 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C12CCCCC2 ZINC000020744388 523809823 /nfs/dbraw/zinc/80/98/23/523809823.db2.gz IXPIOIRCOCXKDT-OAQYLSRUSA-N 0 0 432.524 3.512 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2OC)C12CCCCC2 ZINC000020739122 523810852 /nfs/dbraw/zinc/81/08/52/523810852.db2.gz KUKUJDQPOPDXRA-HSZRJFAPSA-N 0 0 436.552 3.900 50 0 IHAARN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000012906262 523856617 /nfs/dbraw/zinc/85/66/17/523856617.db2.gz SQLAJOYKOMHGMG-YWZLYKJASA-N 0 0 438.977 3.837 50 0 IHAARN COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000012906269 523856883 /nfs/dbraw/zinc/85/68/83/523856883.db2.gz SQLAJOYKOMHGMG-MGPUTAFESA-N 0 0 438.977 3.837 50 0 IHAARN COc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCCCCC4)s3)CC2)cc1 ZINC000065032128 523867144 /nfs/dbraw/zinc/86/71/44/523867144.db2.gz OHSNKMKIJHFKIC-UHFFFAOYSA-N 0 0 448.610 3.669 50 0 IHAARN COc1ccc(C2=N/C(=C\c3coc4ccccc4c3=O)C(=O)O2)c(Br)c1 ZINC000020616095 523873172 /nfs/dbraw/zinc/87/31/72/523873172.db2.gz LSUFTGSTDPEQMP-PXNMLYILSA-N 0 0 426.222 3.909 50 0 biogenic IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000035961112 523874746 /nfs/dbraw/zinc/87/47/46/523874746.db2.gz GZOOJNWOQFGCHF-NRFANRHFSA-N 0 0 447.491 3.747 50 0 IHAARN COCCNC(=O)CCN(Cc1ccco1)C(=O)c1cc(-c2c(C)cc(C)cc2C)on1 ZINC000036015658 523889754 /nfs/dbraw/zinc/88/97/54/523889754.db2.gz BYMFXOZZGWTKMU-UHFFFAOYSA-N 0 0 439.512 3.655 50 0 IHAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C(C)(C)C)cc1 ZINC000035766793 523889675 /nfs/dbraw/zinc/88/96/75/523889675.db2.gz VFGKCSORYLNZFE-QFIPXVFZSA-N 0 0 442.556 3.666 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000012883558 523899315 /nfs/dbraw/zinc/89/93/15/523899315.db2.gz PBOITYMDSFAHQS-SFHVURJKSA-N 0 0 426.494 3.876 50 0 biogenic IHAARN COc1ccc(CCC(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)cc1OC ZINC000011982906 523923078 /nfs/dbraw/zinc/92/30/78/523923078.db2.gz MQZCIKAYFMTZCL-NRFANRHFSA-N 0 0 447.535 3.830 50 0 IHAARN CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)[C@@H](c2ccccc2)C1 ZINC000012554535 523927235 /nfs/dbraw/zinc/92/72/35/523927235.db2.gz RPZVXLDOMUCXRK-QGZVFWFLSA-N 0 0 449.864 3.793 50 0 IHAARN COc1ccc(CCCN(C)S(=O)(=O)c2ccccc2Br)cc1OC ZINC000015358133 523933596 /nfs/dbraw/zinc/93/35/96/523933596.db2.gz JCWDPUJLIQHBAR-UHFFFAOYSA-N 0 0 428.348 3.720 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 ZINC000021599917 523955204 /nfs/dbraw/zinc/95/52/04/523955204.db2.gz IPMHVEIMMJVRMG-UHFFFAOYSA-N 0 0 431.471 3.740 50 0 IHAARN COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2cc3c4ccccc4[nH]c3c(C)n2)cc1 ZINC000012881658 523967371 /nfs/dbraw/zinc/96/73/71/523967371.db2.gz ZYDDHXVZLSGMMM-INIZCTEOSA-N 0 0 430.508 3.510 50 0 biogenic IHAARN COc1ccc(CCNC(=O)c2ccccc2NCc2cc(=O)n3c(C)cccc3n2)cc1 ZINC000012516854 523971549 /nfs/dbraw/zinc/97/15/49/523971549.db2.gz OTKRXYAUIQCXBR-UHFFFAOYSA-N 0 0 442.519 3.596 50 0 IHAARN COc1ccc(CCNC(=O)c2nc(-c3ccco3)n(-c3ccc(C)cc3)n2)cc1OC ZINC000034911355 523972423 /nfs/dbraw/zinc/97/24/23/523972423.db2.gz RRWWQWDMEAJVGS-UHFFFAOYSA-N 0 0 432.480 3.825 50 0 IHAARN CC[C@H](C)NC(=O)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1C[C@H]1CCCO1 ZINC000253418745 523974219 /nfs/dbraw/zinc/97/42/19/523974219.db2.gz JYAZHQYTOWSNMI-MUUPJYMSSA-N 0 0 435.977 3.706 50 0 IHAARN CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CN(Cc1ccccc1)CC2 ZINC000035456409 523977030 /nfs/dbraw/zinc/97/70/30/523977030.db2.gz TVSSFZMBWNCQBV-FQEVSTJZSA-N 0 0 444.579 3.692 50 0 IHAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1 ZINC000022458484 524008452 /nfs/dbraw/zinc/00/84/52/524008452.db2.gz RWCSSEOWODILQV-UHFFFAOYSA-N 0 0 434.739 3.940 50 0 IHAARN CCc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)s1 ZINC000021153687 524014108 /nfs/dbraw/zinc/01/41/08/524014108.db2.gz CNUQKRJEAXFJBZ-OAQYLSRUSA-N 0 0 429.611 3.727 50 0 IHAARN COc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021861796 524021978 /nfs/dbraw/zinc/02/19/78/524021978.db2.gz PTKSWDRUCNOARB-VWLOTQADSA-N 0 0 432.524 3.518 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)c(OC)c1 ZINC000033290408 524046908 /nfs/dbraw/zinc/04/69/08/524046908.db2.gz FCEOHORSBRWNAX-UHFFFAOYSA-N 0 0 446.507 3.926 50 0 IHAARN CCc1cccc(-n2c(SCC(=O)N(CC)C3=CCCC3)nnc2N2CCOCC2)c1 ZINC000012643588 524061944 /nfs/dbraw/zinc/06/19/44/524061944.db2.gz UKKJJXUQTNSUPN-UHFFFAOYSA-N 0 0 441.601 3.675 50 0 IHAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)C1 ZINC000033264439 524076642 /nfs/dbraw/zinc/07/66/42/524076642.db2.gz UAOQTDJVGGGSDJ-HSZRJFAPSA-N 0 0 434.584 3.785 50 0 IHAARN CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4ccccc4Cl)CC3)c2)C1 ZINC000033264488 524076742 /nfs/dbraw/zinc/07/67/42/524076742.db2.gz JQFXDCSJIIQIKA-FQEVSTJZSA-N 0 0 440.975 3.821 50 0 IHAARN C[C@H]1CCCN(Cc2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)C1 ZINC000012780290 524099291 /nfs/dbraw/zinc/09/92/91/524099291.db2.gz DODDPVIGRPVHIP-HNNXBMFYSA-N 0 0 432.615 3.927 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000035178681 524105268 /nfs/dbraw/zinc/10/52/68/524105268.db2.gz MAICJSHSEWKQBX-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1OC ZINC000012601725 524111975 /nfs/dbraw/zinc/11/19/75/524111975.db2.gz MJAGEVZMGXZAES-CALCHBBNSA-N 0 0 447.553 3.727 50 0 IHAARN Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)c1 ZINC000020893756 524114830 /nfs/dbraw/zinc/11/48/30/524114830.db2.gz VCUJPYIPSDSZLP-UHFFFAOYSA-N 0 0 437.565 3.668 50 0 IHAARN COc1ccc(COC[C@H](O)CSc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000012554884 524117723 /nfs/dbraw/zinc/11/77/23/524117723.db2.gz VGXIRQQVYNKXIY-AWEZNQCLSA-N 0 0 431.583 3.831 50 0 IHAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN3CCOCC3)o2)c1 ZINC000012419051 524119852 /nfs/dbraw/zinc/11/98/52/524119852.db2.gz AQSLQKACWMTWDA-UHFFFAOYSA-N 0 0 441.553 3.617 50 0 IHAARN Cc1ccc(C)c(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020979588 524120100 /nfs/dbraw/zinc/12/01/00/524120100.db2.gz UVFURMYKUDCQCN-RTBURBONSA-N 0 0 438.471 3.930 50 0 IHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054209 524121045 /nfs/dbraw/zinc/12/10/45/524121045.db2.gz YYBXYMFOHFBSGF-PMACEKPBSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5cccs5)CC4)nn32)c1 ZINC000033010150 524128673 /nfs/dbraw/zinc/12/86/73/524128673.db2.gz FKPPVXKWCRSRFD-UHFFFAOYSA-N 0 0 432.553 3.694 50 0 IHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N23)c1OC ZINC000012861001 524136258 /nfs/dbraw/zinc/13/62/58/524136258.db2.gz MZPCVNWTOHXARC-GBXCKJPGSA-N 0 0 447.535 3.526 50 0 biogenic IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000012668293 524137281 /nfs/dbraw/zinc/13/72/81/524137281.db2.gz OLQMBSNWSZNTKR-GHDARCQNSA-N 0 0 444.572 3.707 50 0 IHAARN Cc1cccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1C ZINC000012520582 524145387 /nfs/dbraw/zinc/14/53/87/524145387.db2.gz KLYJQNGSYUHABX-UHFFFAOYSA-N 0 0 439.566 3.538 50 0 IHAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)Nc2ccccc2C(F)(F)F)c3=O)c1C ZINC000012237791 524148452 /nfs/dbraw/zinc/14/84/52/524148452.db2.gz KZXVZGMBPIKVCY-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Cc2cccc(OC)c2)cc1 ZINC000032949262 524155881 /nfs/dbraw/zinc/15/58/81/524155881.db2.gz CTFVHKWVKNKQRB-OAQYLSRUSA-N 0 0 433.504 3.945 50 0 biogenic IHAARN COc1ccc(C[C@]2(CCC(=O)NCc3csc(C)n3)CCC(=O)N2)c2ccccc12 ZINC000014888925 524159772 /nfs/dbraw/zinc/15/97/72/524159772.db2.gz TUGUSBVTRVHFNO-DEOSSOPVSA-N 0 0 437.565 3.901 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC2CC2)c1OC ZINC000036054511 524181031 /nfs/dbraw/zinc/18/10/31/524181031.db2.gz IXXBYYLBDDVAOG-MOPGFXCFSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1 ZINC000014683348 524187833 /nfs/dbraw/zinc/18/78/33/524187833.db2.gz FYTWPQLVBTUHJV-UHFFFAOYSA-N 0 0 439.581 3.641 50 0 IHAARN COc1ccc(Cl)cc1-c1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(=S)[nH]1 ZINC000012880606 524189981 /nfs/dbraw/zinc/18/99/81/524189981.db2.gz YFWJYAIQWFIOLQ-UHFFFAOYSA-N 0 0 443.960 3.685 50 0 IHAARN Cc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccccc3S(C)(=O)=O)nc21 ZINC000012342339 524217441 /nfs/dbraw/zinc/21/74/41/524217441.db2.gz NUMJYCFDVYVMSR-UHFFFAOYSA-N 0 0 431.583 3.525 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016626251 524224563 /nfs/dbraw/zinc/22/45/63/524224563.db2.gz NNKYULOFHAWHJU-NSDYXAQKSA-N 0 0 433.980 3.692 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012927948 524225089 /nfs/dbraw/zinc/22/50/89/524225089.db2.gz HUYLGXPIWKSFGZ-UHFFFAOYSA-N 0 0 442.869 3.913 50 0 IHAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc5c(c4)OCO5)c3s2)C1 ZINC000035533475 524249060 /nfs/dbraw/zinc/24/90/60/524249060.db2.gz IKZFNPBAVXFZAA-GFCCVEGCSA-N 0 0 443.554 3.782 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000016369520 524267180 /nfs/dbraw/zinc/26/71/80/524267180.db2.gz VOPHDXLGOLNWIA-CYBMUJFWSA-N 0 0 447.948 3.820 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000022913660 524276078 /nfs/dbraw/zinc/27/60/78/524276078.db2.gz NRFMFYLJPNRLHM-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009665787 524279759 /nfs/dbraw/zinc/27/97/59/524279759.db2.gz FXYDWHRTQKOVJT-UHFFFAOYSA-N 0 0 444.553 3.664 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O ZINC000012755223 524283966 /nfs/dbraw/zinc/28/39/66/524283966.db2.gz LRUJHRLTVIQBAG-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1Cc1ccco1 ZINC000012888381 524288693 /nfs/dbraw/zinc/28/86/93/524288693.db2.gz RVYSCYWEGXOXER-INIZCTEOSA-N 0 0 426.542 3.946 50 0 IHAARN COc1ccccc1-c1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 ZINC000021939916 524296812 /nfs/dbraw/zinc/29/68/12/524296812.db2.gz WGLOJOHLHROVRD-CQSZACIVSA-N 0 0 433.917 3.967 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000021331543 524308552 /nfs/dbraw/zinc/30/85/52/524308552.db2.gz UEKMSZSTPPPLML-UHFFFAOYSA-N 0 0 449.540 3.513 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c(C)c1 ZINC000012212366 524316761 /nfs/dbraw/zinc/31/67/61/524316761.db2.gz GVGBWVYQKRPEAE-UHFFFAOYSA-N 0 0 432.611 3.659 50 0 IHAARN Cc1ccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021049722 524334090 /nfs/dbraw/zinc/33/40/90/524334090.db2.gz RLLNUENWGGODJP-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN COc1ccccc1C(=O)NCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000012809653 524350268 /nfs/dbraw/zinc/35/02/68/524350268.db2.gz IKWKKGCRPIICPM-UHFFFAOYSA-N 0 0 443.297 3.764 50 0 IHAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(CC(C)C)n[nH]2)CC1 ZINC000012433898 524361505 /nfs/dbraw/zinc/36/15/05/524361505.db2.gz JPTSMEUPLYMYQX-UHFFFAOYSA-N 0 0 436.560 3.903 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2C)c2nc(C)ccc2c1=O ZINC000021151518 524362493 /nfs/dbraw/zinc/36/24/93/524362493.db2.gz QTPPYIUQDKRYON-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020603676 524362714 /nfs/dbraw/zinc/36/27/14/524362714.db2.gz HWOQZKRISATNHT-UHFFFAOYSA-N 0 0 448.972 3.610 50 0 IHAARN COc1ccccc1C1=NO[C@H](C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)C1 ZINC000020602009 524374062 /nfs/dbraw/zinc/37/40/62/524374062.db2.gz QXKCDNNNAIYTPF-SFHVURJKSA-N 0 0 446.294 3.774 50 0 IHAARN Cc1cc(C)cc(COc2coc(CN3CCN(C(=O)CC(C)(C)C)CC3)cc2=O)c1 ZINC000022321797 524386398 /nfs/dbraw/zinc/38/63/98/524386398.db2.gz QQSUANGFZUNSOS-UHFFFAOYSA-N 0 0 426.557 3.916 50 0 IHAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1cccc2ccccc21 ZINC000022506240 524405695 /nfs/dbraw/zinc/40/56/95/524405695.db2.gz KFBUAWVSZCQTKF-UHFFFAOYSA-N 0 0 425.510 3.710 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c1 ZINC000012414832 524411120 /nfs/dbraw/zinc/41/11/20/524411120.db2.gz YSZSOHJCYLVVFA-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O ZINC000035886135 524411717 /nfs/dbraw/zinc/41/17/17/524411717.db2.gz CZXACLZVZOITEJ-UHFFFAOYSA-N 0 0 446.503 3.920 50 0 IHAARN Cc1cccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccccc5C)n4n3)CC2)c1 ZINC000033260197 524415125 /nfs/dbraw/zinc/41/51/25/524415125.db2.gz LLPRFVNKFRLEFE-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN C[C@H]1CC[C@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000012803735 524423261 /nfs/dbraw/zinc/42/32/61/524423261.db2.gz VQBACKJNZSQYMZ-MGPUTAFESA-N 0 0 437.993 3.932 50 0 IHAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)cc1 ZINC000035377470 524429608 /nfs/dbraw/zinc/42/96/08/524429608.db2.gz VKMWDRGDSQBHSA-UHFFFAOYSA-N 0 0 430.460 3.579 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885295 524474417 /nfs/dbraw/zinc/47/44/17/524474417.db2.gz AVKSLECDXNYIHQ-LJQANCHMSA-N 0 0 446.507 3.682 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)cc1 ZINC000035448672 524483826 /nfs/dbraw/zinc/48/38/26/524483826.db2.gz NYRNAZHGVUUWKZ-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1 ZINC000033013431 524491124 /nfs/dbraw/zinc/49/11/24/524491124.db2.gz VHSRBUMWICLZKH-UHFFFAOYSA-N 0 0 431.514 3.530 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2ccccc2C)C3)CC1 ZINC000034898600 524551378 /nfs/dbraw/zinc/55/13/78/524551378.db2.gz IYSIXEVTAGKOOQ-HXUWFJFHSA-N 0 0 430.552 3.893 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Sc2nc(CN3CCOCC3)nc3ccccc32)cc1 ZINC000022188511 524586932 /nfs/dbraw/zinc/58/69/32/524586932.db2.gz MMBZHSPEUZNTGO-MRXNPFEDSA-N 0 0 438.553 3.590 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1cccnc1 ZINC000012540366 524587218 /nfs/dbraw/zinc/58/72/18/524587218.db2.gz IEBAMZHFPLGMMY-HXUWFJFHSA-N 0 0 428.452 3.869 50 0 IHAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3cccnc32)C(C)C)cc1Cl ZINC000020995255 524588177 /nfs/dbraw/zinc/58/81/77/524588177.db2.gz UKUFQYAMYQHCAX-IBGZPJMESA-N 0 0 447.944 3.838 50 0 IHAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c(OC)c1 ZINC000012621358 524588918 /nfs/dbraw/zinc/58/89/18/524588918.db2.gz AXMNGPKULOUITJ-QFIPXVFZSA-N 0 0 442.537 3.799 50 0 IHAARN COc1ccccc1NC(=O)CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012882864 524589028 /nfs/dbraw/zinc/58/90/28/524589028.db2.gz IWPJOIABBHKCNT-UHFFFAOYSA-N 0 0 442.869 3.913 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3noc(-c4ccc(C)cc4)n3)C2)c(OC)c1 ZINC000021724819 524593439 /nfs/dbraw/zinc/59/34/39/524593439.db2.gz UHNKIJNIGUYWGG-GOSISDBHSA-N 0 0 436.512 3.913 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccccc3)c2=O)c1 ZINC000012140711 524608133 /nfs/dbraw/zinc/60/81/33/524608133.db2.gz LGWFKWZDSNYNGI-UHFFFAOYSA-N 0 0 425.444 3.846 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2N)cc1 ZINC000012638968 524628633 /nfs/dbraw/zinc/62/86/33/524628633.db2.gz SMEQFDVSGBMEOA-UHFFFAOYSA-N 0 0 433.464 3.634 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000012533450 524628679 /nfs/dbraw/zinc/62/86/79/524628679.db2.gz PCOICPGJFYVEJY-UHFFFAOYSA-N 0 0 444.535 3.708 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)c4ccccc4F)CC3)s2)cc1 ZINC000033272834 524658716 /nfs/dbraw/zinc/65/87/16/524658716.db2.gz MBLNALAODUDJQJ-UHFFFAOYSA-N 0 0 440.500 3.958 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccccc3C)s2)cc1 ZINC000032987040 524658919 /nfs/dbraw/zinc/65/89/19/524658919.db2.gz XJKRKGCXJWCIKW-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN COc1ccc(NC(=S)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3CC(C)C)cc1 ZINC000036029059 524665258 /nfs/dbraw/zinc/66/52/58/524665258.db2.gz SDXMHVJKOXVBDR-FQEVSTJZSA-N 0 0 432.634 3.687 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012855425 524674316 /nfs/dbraw/zinc/67/43/16/524674316.db2.gz PZEBEKILYVVXEF-FQEVSTJZSA-N 0 0 434.514 3.922 50 0 IHAARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)C)cs1 ZINC000034905739 524686411 /nfs/dbraw/zinc/68/64/11/524686411.db2.gz RFLXOURIJFKHEO-HZPDHXFCSA-N 0 0 445.585 3.934 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2)cc1 ZINC000012526034 524697335 /nfs/dbraw/zinc/69/73/35/524697335.db2.gz SLHPCIAXIUISSZ-UHFFFAOYSA-N 0 0 441.509 3.896 50 0 IHAARN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000033052843 524718251 /nfs/dbraw/zinc/71/82/51/524718251.db2.gz QRQPPMOUHHVJER-IBGZPJMESA-N 0 0 441.597 3.605 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000021100112 524721289 /nfs/dbraw/zinc/72/12/89/524721289.db2.gz KXYVCUUOSVQSKH-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc(Nc2ncnc3sc(C)c(S(=O)(=O)N4CCCCC4)c32)c(OC)c1 ZINC000032961418 524721606 /nfs/dbraw/zinc/72/16/06/524721606.db2.gz VWCYVNJFSGXOKV-UHFFFAOYSA-N 0 0 448.570 3.935 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(C(=O)NCc2ccccc2)n1 ZINC000033273418 524747644 /nfs/dbraw/zinc/74/76/44/524747644.db2.gz SKVKWRLALBXORK-UHFFFAOYSA-N 0 0 427.892 3.668 50 0 IHAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(C)C(=O)C1CC1 ZINC000035948473 524750403 /nfs/dbraw/zinc/75/04/03/524750403.db2.gz NUDSPZPLAINCDW-FQEVSTJZSA-N 0 0 425.916 3.895 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531105 524820626 /nfs/dbraw/zinc/82/06/26/524820626.db2.gz SXTLCKDKEJNZJW-DEOSSOPVSA-N 0 0 430.504 3.760 50 0 IHAARN COc1ccc(OC)c(NC(=O)COc2cc(C(C)(C)C)nn2-c2nc(C)cc(C)n2)c1 ZINC000012443794 524849196 /nfs/dbraw/zinc/84/91/96/524849196.db2.gz YTSFCVPASKADFZ-UHFFFAOYSA-N 0 0 439.516 3.611 50 0 IHAARN Cc1cc(Cl)cc(C)c1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012754162 524860976 /nfs/dbraw/zinc/86/09/76/524860976.db2.gz ANEFISUTGUYSKC-UHFFFAOYSA-N 0 0 444.915 3.942 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000024199768 524863375 /nfs/dbraw/zinc/86/33/75/524863375.db2.gz NQHFCASTYNIFBM-BTYIYWSLSA-N 0 0 438.480 3.538 50 0 IHAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012898843 524885803 /nfs/dbraw/zinc/88/58/03/524885803.db2.gz DQUGLYWBNIXBIT-KRWDZBQOSA-N 0 0 444.535 3.730 50 0 biogenic IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c1 ZINC000012906018 524893385 /nfs/dbraw/zinc/89/33/85/524893385.db2.gz PKDPXROTJXPBHR-SFHVURJKSA-N 0 0 443.569 3.579 50 0 IHAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 ZINC000015670330 524893882 /nfs/dbraw/zinc/89/38/82/524893882.db2.gz WZTWTBVRMXGRSU-SFHVURJKSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)c1 ZINC000012895729 524914468 /nfs/dbraw/zinc/91/44/68/524914468.db2.gz KBLOYGWYNZSARB-MRXNPFEDSA-N 0 0 426.332 3.992 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000012817926 524914469 /nfs/dbraw/zinc/91/44/69/524914469.db2.gz KFNDJGLVWNXTHB-UKYUDJEDSA-N 0 0 434.508 3.855 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000036059415 524916695 /nfs/dbraw/zinc/91/66/95/524916695.db2.gz XUDFUQKWTLRLPV-PKTZIBPZSA-N 0 0 436.552 3.881 50 0 IHAARN Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3C2=O)cc1 ZINC000001075347 524930830 /nfs/dbraw/zinc/93/08/30/524930830.db2.gz KOEASSKUJYGXOS-UHFFFAOYSA-N 0 0 443.478 3.897 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000015865423 524935824 /nfs/dbraw/zinc/93/58/24/524935824.db2.gz CGQWIUFVHAJHHP-UHFFFAOYSA-N 0 0 445.475 3.608 50 0 IHAARN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012868017 524968126 /nfs/dbraw/zinc/96/81/26/524968126.db2.gz VGAOXJHDBNTMHL-LBPRGKRZSA-N 0 0 435.709 3.939 50 0 IHAARN COc1ccc(OCc2ccccc2Cl)c([C@@H]2SC(NC(C)=O)=NN2C(C)=O)c1 ZINC000020896408 524974449 /nfs/dbraw/zinc/97/44/49/524974449.db2.gz BSWXGXZAZWBYMH-IBGZPJMESA-N 0 0 433.917 3.929 50 0 IHAARN Cc1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1S(=O)(=O)N(C)C ZINC000012802913 524989250 /nfs/dbraw/zinc/98/92/50/524989250.db2.gz OWVFKTIRPUCEPR-VQHVLOKHSA-N 0 0 429.361 3.721 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023507728 525001425 /nfs/dbraw/zinc/00/14/25/525001425.db2.gz MTNYJTKRBNFABX-OAHLLOKOSA-N 0 0 440.512 3.594 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1F ZINC000020604302 525004251 /nfs/dbraw/zinc/00/42/51/525004251.db2.gz ZGWLCHLNRBQWIX-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399297 525022565 /nfs/dbraw/zinc/02/25/65/525022565.db2.gz BONWEJMGSNEGKS-UHFFFAOYSA-N 0 0 427.501 3.731 50 0 biogenic IHAARN Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000012462406 525030417 /nfs/dbraw/zinc/03/04/17/525030417.db2.gz GZBTXNHMDNQCEB-UHFFFAOYSA-N 0 0 432.586 3.561 50 0 IHAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C ZINC000012767640 525032856 /nfs/dbraw/zinc/03/28/56/525032856.db2.gz NHHNBEPIYCCDIH-UHFFFAOYSA-N 0 0 428.554 3.726 50 0 IHAARN C[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000012381085 525036662 /nfs/dbraw/zinc/03/66/62/525036662.db2.gz CWQLNBKLFKBGNE-OZHVRZOASA-N 0 0 446.478 3.845 50 0 IHAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccccc3)C2=O)cc1 ZINC000020573834 525059586 /nfs/dbraw/zinc/05/95/86/525059586.db2.gz CDVSFCQVBUMQPG-RUZDIDTESA-N 0 0 443.528 3.913 50 0 IHAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N(C)C)sc32)c(Br)c1 ZINC000035532719 525082341 /nfs/dbraw/zinc/08/23/41/525082341.db2.gz TUUKFTZFICJQFW-UHFFFAOYSA-N 0 0 438.376 3.954 50 0 IHAARN C[C@@H](NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2cncn2)cc1 ZINC000012783478 525084663 /nfs/dbraw/zinc/08/46/63/525084663.db2.gz NDEMTAHGBWXBNJ-KNEUKCCGSA-N 0 0 435.572 3.557 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)cc1F ZINC000033284522 525085454 /nfs/dbraw/zinc/08/54/54/525085454.db2.gz PPKQJARZXCRCKP-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1C ZINC000012233171 525087002 /nfs/dbraw/zinc/08/70/02/525087002.db2.gz STHCDVPAPKUXEU-GOSISDBHSA-N 0 0 431.521 3.875 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1F ZINC000012233187 525092247 /nfs/dbraw/zinc/09/22/47/525092247.db2.gz SHPVRGRHRFEBGU-INIZCTEOSA-N 0 0 435.484 3.705 50 0 IHAARN Cc1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc1Cl ZINC000033169704 525154231 /nfs/dbraw/zinc/15/42/31/525154231.db2.gz OTKNWQAEXNNPNR-UHFFFAOYSA-N 0 0 425.920 3.686 50 0 IHAARN Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl ZINC000012689001 525217072 /nfs/dbraw/zinc/21/70/72/525217072.db2.gz PLEZGBJXKWKUFL-VQIMIIECSA-N 0 0 429.904 3.662 50 0 IHAARN CS(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035776988 525232068 /nfs/dbraw/zinc/23/20/68/525232068.db2.gz STCXQTHNXXKPBT-IBGZPJMESA-N 0 0 438.933 3.892 50 0 IHAARN Cc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O ZINC000035425029 525247106 /nfs/dbraw/zinc/24/71/06/525247106.db2.gz OTTKQXSLMPODMW-UHFFFAOYSA-N 0 0 425.448 3.784 50 0 IHAARN Cc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000013056295 525260899 /nfs/dbraw/zinc/26/08/99/525260899.db2.gz BXCWACPATFCVHQ-IBGZPJMESA-N 0 0 443.613 3.626 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)C3=C(c4ccccc4)SCCO3)sc2c1 ZINC000012391439 525267844 /nfs/dbraw/zinc/26/78/44/525267844.db2.gz OKRFKRZUFAZHJL-UHFFFAOYSA-N 0 0 432.548 3.771 50 0 IHAARN Cc1ccccc1Nc1nc(NCCN2CCOCC2)nc2c1cnn2-c1ccccc1 ZINC000017136029 525277541 /nfs/dbraw/zinc/27/75/41/525277541.db2.gz PAWHTXKNCRXMRB-UHFFFAOYSA-N 0 0 429.528 3.612 50 0 IHAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000012731220 525331386 /nfs/dbraw/zinc/33/13/86/525331386.db2.gz WFLOSUDEVSEJPI-XLIONFOSSA-N 0 0 438.549 3.788 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)CC2)cc1 ZINC000009154520 534849437 /nfs/dbraw/zinc/84/94/37/534849437.db2.gz NNNVQUUIIIOAAY-XMMPIXPASA-N 0 0 435.568 3.691 50 0 IHAARN COc1ccc([C@H](CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020560997 525343713 /nfs/dbraw/zinc/34/37/13/525343713.db2.gz DGKVUVMUOXCXAE-NRFANRHFSA-N 0 0 431.492 3.502 50 0 IHAARN COc1ccc([C@H](CC(=O)NCc2ccccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000020560991 525344919 /nfs/dbraw/zinc/34/49/19/525344919.db2.gz QAIHQVWHNDSLCO-NRFANRHFSA-N 0 0 431.492 3.502 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CC3)c(-n2nc3ccccc3n2)c1 ZINC000012447398 525395800 /nfs/dbraw/zinc/39/58/00/525395800.db2.gz ZHPHSROSEZULJY-UHFFFAOYSA-N 0 0 427.464 3.631 50 0 IHAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035947218 525404957 /nfs/dbraw/zinc/40/49/57/525404957.db2.gz NVHZVHIWJFYBLW-OAQYLSRUSA-N 0 0 440.519 3.952 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012757836 525409477 /nfs/dbraw/zinc/40/94/77/525409477.db2.gz CIKBHLFFYCMSJQ-HSZRJFAPSA-N 0 0 442.581 3.768 50 0 IHAARN COc1ccc([C@]2(CC(=O)NC[C@@H](C)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012097745 525446476 /nfs/dbraw/zinc/44/64/76/525446476.db2.gz LLQUHOVKFXQPIY-WINIVTDRSA-N 0 0 448.563 3.945 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 ZINC000022462625 525447720 /nfs/dbraw/zinc/44/77/20/525447720.db2.gz LQMNSODPFIIIDV-UHFFFAOYSA-N 0 0 429.586 3.795 50 0 IHAARN Cc1ccc(OCc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2N)c(C)c1 ZINC000013113364 525452916 /nfs/dbraw/zinc/45/29/16/525452916.db2.gz MYJTZQRXPSWDDW-NRFANRHFSA-N 0 0 437.569 3.644 50 0 IHAARN Cc1cccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)nc12 ZINC000023267659 525460791 /nfs/dbraw/zinc/46/07/91/525460791.db2.gz XMBBECIQGLEJCI-JOCHJYFZSA-N 0 0 440.455 3.814 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)nc12 ZINC000041086127 525463225 /nfs/dbraw/zinc/46/32/25/525463225.db2.gz IXPGJZFGSIADHR-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN Cc1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1OC(F)F ZINC000012506457 525499011 /nfs/dbraw/zinc/49/90/11/525499011.db2.gz JSPJIRVPEUEUDA-GOSISDBHSA-N 0 0 429.427 3.512 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)c(C)c1 ZINC000016962419 525519230 /nfs/dbraw/zinc/51/92/30/525519230.db2.gz GTFOOFWMFDHBCS-QGZVFWFLSA-N 0 0 432.508 3.505 50 0 IHAARN C[C@@H]1Cc2cc(C3=NNC(=Nc4ccccc4Cl)SC3)ccc2N1S(C)(=O)=O ZINC000012919039 525520845 /nfs/dbraw/zinc/52/08/45/525520845.db2.gz UXJMRWLUNATFLU-GFCCVEGCSA-N 0 0 434.974 3.970 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCCOC(C)C)cc1 ZINC000020848892 525555004 /nfs/dbraw/zinc/55/50/04/525555004.db2.gz IOHQYOFQHKJUJU-HSZRJFAPSA-N 0 0 444.597 3.605 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2cccc(F)c2)cc1 ZINC000021157047 525559045 /nfs/dbraw/zinc/55/90/45/525559045.db2.gz PEXRAWUZNIRBTO-QHCPKHFHSA-N 0 0 438.524 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1ccccc1F ZINC000012910451 525578601 /nfs/dbraw/zinc/57/86/01/525578601.db2.gz HFOMGTSZUNQPQV-UHFFFAOYSA-N 0 0 426.513 3.885 50 0 IHAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl ZINC000021873198 525595298 /nfs/dbraw/zinc/59/52/98/525595298.db2.gz VKPWROFKYNDIHV-KRWDZBQOSA-N 0 0 447.409 3.710 50 0 IHAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)c(C)c1 ZINC000035535034 525600414 /nfs/dbraw/zinc/60/04/14/525600414.db2.gz SYCGUDGTUWQIKM-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1cc(C)ccc1C)cc(C(=O)c1ccncc1)c2=O ZINC000035535224 525604177 /nfs/dbraw/zinc/60/41/77/525604177.db2.gz SUOWDXJONOZZJF-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN Cc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cnn1C ZINC000012850971 525613229 /nfs/dbraw/zinc/61/32/29/525613229.db2.gz CTGGRARHMYOPTM-CHHVJCJISA-N 0 0 439.324 3.502 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@H](C(=O)NCCc3c[nH]c4ccccc34)C(C)C)n2C)c1 ZINC000012664566 525613318 /nfs/dbraw/zinc/61/33/18/525613318.db2.gz VWJWZGCPKPVYRD-DEOSSOPVSA-N 0 0 446.551 3.782 50 0 biogenic IHAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccc(OC)c4)CC3)[nH]c2c1 ZINC000015868639 525620347 /nfs/dbraw/zinc/62/03/47/525620347.db2.gz ZCJHAMWYAFPLAK-QGZVFWFLSA-N 0 0 449.551 3.990 50 0 IHAARN Cc1cc2n(n1)c(=O)cc(C)n2C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000012755725 525662595 /nfs/dbraw/zinc/66/25/95/525662595.db2.gz JIPKMXRDNNTQKT-JOCHJYFZSA-N 0 0 431.536 3.879 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)cc(=O)n2o1 ZINC000041089561 525670097 /nfs/dbraw/zinc/67/00/97/525670097.db2.gz WTSDODQNIRTRGH-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4cccc(C)c4C)cc3)cc(=O)n2o1 ZINC000035378601 525673314 /nfs/dbraw/zinc/67/33/14/525673314.db2.gz BEQXGYYSWXABDC-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc(=O)n2o1 ZINC000041085686 525674242 /nfs/dbraw/zinc/67/42/42/525674242.db2.gz SKGKAMBKRGCVDX-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(C)cc4C)cc3)cc(=O)n2o1 ZINC000035378602 525674689 /nfs/dbraw/zinc/67/46/89/525674689.db2.gz NNGVGTQZBOZJPP-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c12 ZINC000020947060 525679059 /nfs/dbraw/zinc/67/90/59/525679059.db2.gz XMYIFTLYTHGBTR-QFIPXVFZSA-N 0 0 426.520 3.998 50 0 IHAARN Cc1cc2oc(=O)cc(COC(=O)CCc3c(C)nc4ncnn4c3C)c2cc1C(C)C ZINC000021476601 525690587 /nfs/dbraw/zinc/69/05/87/525690587.db2.gz ITYYHERAJKFRNC-UHFFFAOYSA-N 0 0 434.496 3.955 50 0 IHAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)Nc2ccccc2C)c(C)n3C)c1 ZINC000035448602 525711633 /nfs/dbraw/zinc/71/16/33/525711633.db2.gz CZARXXDMGJXCKH-UHFFFAOYSA-N 0 0 430.508 3.897 50 0 IHAARN C[C@@H]1[C@H](c2ccccc2)OCCN1C(=O)CCC(=O)N1CCO[C@H](c2ccccc2)[C@@H]1C ZINC000012367948 525714923 /nfs/dbraw/zinc/71/49/23/525714923.db2.gz TVNQPXYDUXKBNI-SSVHHLKVSA-N 0 0 436.552 3.744 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3F)n2)c1 ZINC000015670527 525718319 /nfs/dbraw/zinc/71/83/19/525718319.db2.gz WFQXXTPKFWYDKR-KRWDZBQOSA-N 0 0 430.443 3.655 50 0 IHAARN COc1cccc(-c2nc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cs2)c1OC ZINC000065489456 525721600 /nfs/dbraw/zinc/72/16/00/525721600.db2.gz DLZYQIMNKGQBDY-SFHVURJKSA-N 0 0 437.521 3.531 50 0 IHAARN Cc1ccc(-c2cc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)ncn2)cc1 ZINC000035480944 525734852 /nfs/dbraw/zinc/73/48/52/525734852.db2.gz VBGIWKZZHCORKI-UHFFFAOYSA-N 0 0 430.508 3.714 50 0 IHAARN Cc1c(Cl)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12 ZINC000020683313 525742293 /nfs/dbraw/zinc/74/22/93/525742293.db2.gz KYORHDLDARKGMC-UHFFFAOYSA-N 0 0 433.936 3.842 50 0 IHAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccccc2F)CCS3)c1 ZINC000012140628 525742725 /nfs/dbraw/zinc/74/27/25/525742725.db2.gz NTVNJFGRHIQFSC-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN Cc1c(Cl)c(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)nc2ccccc12 ZINC000012895372 525743149 /nfs/dbraw/zinc/74/31/49/525743149.db2.gz FJSAPTBRWVDPEN-QHCPKHFHSA-N 0 0 437.883 3.935 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1 ZINC000041254479 525745817 /nfs/dbraw/zinc/74/58/17/525745817.db2.gz HUDVBNQPSBPMEE-UHFFFAOYSA-N 0 0 426.314 3.688 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc1C ZINC000022384015 525769016 /nfs/dbraw/zinc/76/90/16/525769016.db2.gz OZHIWXDTZVVNKU-KRWDZBQOSA-N 0 0 441.553 3.758 50 0 IHAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3nc2C(=O)N1CCCc1ccccc1 ZINC000021861813 525790425 /nfs/dbraw/zinc/79/04/25/525790425.db2.gz PQMMHDOHRCVWAB-SANMLTNESA-N 0 0 430.552 3.942 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3F)CC2)c1 ZINC000035887614 525804094 /nfs/dbraw/zinc/80/40/94/525804094.db2.gz XEQPXSCQILLVOO-UHFFFAOYSA-N 0 0 434.515 3.794 50 0 IHAARN COc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000021708315 525808216 /nfs/dbraw/zinc/80/82/16/525808216.db2.gz FQHMWOAGODHFRC-LJQANCHMSA-N 0 0 439.562 3.650 50 0 IHAARN C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O ZINC000012790510 525826569 /nfs/dbraw/zinc/82/65/69/525826569.db2.gz IASAKCSNRYMSDT-UWJYYQICSA-N 0 0 438.858 3.918 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O ZINC000012886532 525827759 /nfs/dbraw/zinc/82/77/59/525827759.db2.gz SZWUNMMTVDOSIP-DEOSSOPVSA-N 0 0 449.507 3.610 50 0 IHAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NCCc4ccccc4)c3=O)n2)cc1 ZINC000035462425 525867082 /nfs/dbraw/zinc/86/70/82/525867082.db2.gz RFYHGNTXOHDQTN-UHFFFAOYSA-N 0 0 442.519 3.849 50 0 IHAARN COc1cccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)c1 ZINC000015883371 525899451 /nfs/dbraw/zinc/89/94/51/525899451.db2.gz BNJPHKGERULPHC-UHFFFAOYSA-N 0 0 431.467 3.565 50 0 IHAARN Cc1ccc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000014800615 525918468 /nfs/dbraw/zinc/91/84/68/525918468.db2.gz LPPLCRMCOQLHBM-UHFFFAOYSA-N 0 0 443.594 3.802 50 0 IHAARN COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021861875 525930872 /nfs/dbraw/zinc/93/08/72/525930872.db2.gz WULHZTLPNPBCHL-VWLOTQADSA-N 0 0 432.524 3.518 50 0 IHAARN Cc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000021150897 525936511 /nfs/dbraw/zinc/93/65/11/525936511.db2.gz HFZMYLDCSQVMNV-UHFFFAOYSA-N 0 0 446.342 3.627 50 0 IHAARN Cc1cn2c(nc(CSc3nnc(NC(=O)CCc4ccccc4)s3)cc2=O)s1 ZINC000020984407 525943338 /nfs/dbraw/zinc/94/33/38/525943338.db2.gz VTPYJFOKDKQDGH-UHFFFAOYSA-N 0 0 443.579 3.780 50 0 IHAARN Cc1ccc(C=Cc2nc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)n[nH]2)o1 ZINC000012842204 525957342 /nfs/dbraw/zinc/95/73/42/525957342.db2.gz LDEUUMTTZNIPGJ-IZPAUZPXSA-N 0 0 426.498 3.617 50 0 IHAARN Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)c2cnn(-c4ccccc4)c2)C3)n1 ZINC000012077953 525983751 /nfs/dbraw/zinc/98/37/51/525983751.db2.gz VDPHEKZAQNZKSD-NRFANRHFSA-N 0 0 425.492 3.680 50 0 IHAARN CSc1ccc(CNC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1 ZINC000033128586 525995914 /nfs/dbraw/zinc/99/59/14/525995914.db2.gz MGMNHWPPSASPJJ-UHFFFAOYSA-N 0 0 434.521 3.788 50 0 IHAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000014710519 526000405 /nfs/dbraw/zinc/00/04/05/526000405.db2.gz OMVXATDQGDWCJL-QGZVFWFLSA-N 0 0 434.565 3.532 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1ccccc1F ZINC000022358797 526000607 /nfs/dbraw/zinc/00/06/07/526000607.db2.gz QVMCDTQOGXQBLS-HNNXBMFYSA-N 0 0 426.517 3.720 50 0 IHAARN COc1cccc(CNC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1 ZINC000033088592 526009312 /nfs/dbraw/zinc/00/93/12/526009312.db2.gz ADWLROFVEFZBFG-UHFFFAOYSA-N 0 0 433.415 3.810 50 0 IHAARN C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009666812 526014642 /nfs/dbraw/zinc/01/46/42/526014642.db2.gz AKNWLNDCKSARIR-GFCCVEGCSA-N 0 0 446.529 3.815 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912022 526037395 /nfs/dbraw/zinc/03/73/95/526037395.db2.gz SVRALYYVBXISGV-UHFFFAOYSA-N 0 0 447.564 3.663 50 0 IHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911855 526037634 /nfs/dbraw/zinc/03/76/34/526037634.db2.gz DEVFJJGKRVRPQK-UHFFFAOYSA-N 0 0 435.553 3.601 50 0 IHAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000022383991 526066734 /nfs/dbraw/zinc/06/67/34/526066734.db2.gz HYYBLYFSSBAMIA-CQSZACIVSA-N 0 0 447.944 3.795 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5cc(C)ccc5C)CC4)c3=O)c2c1 ZINC000023125627 526110735 /nfs/dbraw/zinc/11/07/35/526110735.db2.gz NXFHXKHJZZLXFW-UHFFFAOYSA-N 0 0 443.551 3.542 50 0 IHAARN COc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3ccccc3)no2)c1OC ZINC000021677898 526112981 /nfs/dbraw/zinc/11/29/81/526112981.db2.gz FKTHPQWGFHQFLS-UHFFFAOYSA-N 0 0 433.468 3.570 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012123826 526119750 /nfs/dbraw/zinc/11/97/50/526119750.db2.gz GIRXJSCAGGKXBT-UHFFFAOYSA-N 0 0 425.492 3.990 50 0 IHAARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012763714 526124762 /nfs/dbraw/zinc/12/47/62/526124762.db2.gz BNIRIVOAFDWSPT-UHFFFAOYSA-N 0 0 431.414 3.711 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000008826193 534907396 /nfs/dbraw/zinc/90/73/96/534907396.db2.gz LAYWIUSLNJVOMF-UHFFFAOYSA-N 0 0 428.432 3.545 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000012580188 526169060 /nfs/dbraw/zinc/16/90/60/526169060.db2.gz YDKIZDHIKSCTMQ-UHFFFAOYSA-N 0 0 445.292 3.793 50 0 IHAARN Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 ZINC000015616326 526169975 /nfs/dbraw/zinc/16/99/75/526169975.db2.gz JDQKSLGPQCLYGV-UHFFFAOYSA-N 0 0 425.554 3.623 50 0 IHAARN COc1cccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4OC)nn3c2=O)c1 ZINC000035448313 526171686 /nfs/dbraw/zinc/17/16/86/526171686.db2.gz NVNMXEXOTQEAIQ-UHFFFAOYSA-N 0 0 446.507 3.597 50 0 IHAARN CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000012908928 526173717 /nfs/dbraw/zinc/17/37/17/526173717.db2.gz WMVKWXJUXYHQAD-ASSNKEHSSA-N 0 0 428.535 3.908 50 0 IHAARN Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1NC(=O)c1ccco1 ZINC000022186581 526187941 /nfs/dbraw/zinc/18/79/41/526187941.db2.gz XYSLFPKEEYPWPL-UHFFFAOYSA-N 0 0 433.508 3.603 50 0 IHAARN Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C ZINC000012426264 526210598 /nfs/dbraw/zinc/21/05/98/526210598.db2.gz AGVACXOXDLNUIW-QGZVFWFLSA-N 0 0 440.443 3.890 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc2S1 ZINC000015730969 526216681 /nfs/dbraw/zinc/21/66/81/526216681.db2.gz ISMVLPSDOQLYEN-NSHDSACASA-N 0 0 441.372 3.750 50 0 IHAARN Cc1ccc2cc(-c3noc(CCC(=O)Nc4nnc(CC(C)C)s4)n3)c(=O)[nH]c2c1 ZINC000021792885 526223875 /nfs/dbraw/zinc/22/38/75/526223875.db2.gz IXHVUPCQXJNZQH-UHFFFAOYSA-N 0 0 438.513 3.508 50 0 IHAARN COc1cccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)C2)c1 ZINC000012387568 526235576 /nfs/dbraw/zinc/23/55/76/526235576.db2.gz XFQQEFTWRZGJQM-INIZCTEOSA-N 0 0 442.466 3.544 50 0 IHAARN Cc1ccc(C(C)C)cc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012552600 526249589 /nfs/dbraw/zinc/24/95/89/526249589.db2.gz PAHKSGYCCHNWTM-SFHVURJKSA-N 0 0 437.540 3.720 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc12 ZINC000022357359 526272214 /nfs/dbraw/zinc/27/22/14/526272214.db2.gz KTJZUDKVPIDMJD-FQEVSTJZSA-N 0 0 426.586 3.866 50 0 IHAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020902304 526272833 /nfs/dbraw/zinc/27/28/33/526272833.db2.gz BXDNPNDYSNLDGC-FNORWQNLSA-N 0 0 444.963 3.587 50 0 IHAARN Cc1nn(CCC(=O)Nc2cc(C)cc(C)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000021029550 526278077 /nfs/dbraw/zinc/27/80/77/526278077.db2.gz INBPXWKBSYNVRV-UHFFFAOYSA-N 0 0 432.590 3.566 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000012757724 526309073 /nfs/dbraw/zinc/30/90/73/526309073.db2.gz WPBHDJRQZNONKL-SFHVURJKSA-N 0 0 438.553 3.846 50 0 IHAARN Cc1nn2c(nc(COc3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000020859138 526311601 /nfs/dbraw/zinc/31/16/01/526311601.db2.gz YVUZQSRDJKEVSZ-UHFFFAOYSA-N 0 0 438.534 3.769 50 0 IHAARN Cc1nnc(SCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)n1-c1ccccc1 ZINC000012606264 526379394 /nfs/dbraw/zinc/37/93/94/526379394.db2.gz LHQLMMVGHOKRHR-UHFFFAOYSA-N 0 0 449.580 3.610 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCCN(C(=O)c4ccc(F)cc4)CC3)n12 ZINC000034700078 526410414 /nfs/dbraw/zinc/41/04/14/526410414.db2.gz FAEPVDPBNPZCEI-UHFFFAOYSA-N 0 0 438.894 3.731 50 0 IHAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000021543480 526424959 /nfs/dbraw/zinc/42/49/59/526424959.db2.gz WRRTTWQEFJNVTB-IBGZPJMESA-N 0 0 432.457 3.567 50 0 IHAARN O=C(CCCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012695554 526430649 /nfs/dbraw/zinc/43/06/49/526430649.db2.gz IOHGCHJDGDEYRY-UHFFFAOYSA-N 0 0 449.623 3.604 50 0 IHAARN O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1cccs1 ZINC000012246877 526463209 /nfs/dbraw/zinc/46/32/09/526463209.db2.gz WVWVMAKOQVIRKE-AWEZNQCLSA-N 0 0 432.546 3.712 50 0 IHAARN O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(c2ccccc2)CC1 ZINC000022480827 526469314 /nfs/dbraw/zinc/46/93/14/526469314.db2.gz HUUQFDKEHGCSHR-JOCHJYFZSA-N 0 0 427.552 3.709 50 0 IHAARN O=C(CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)on1)NCC1CC1 ZINC000036013653 526475126 /nfs/dbraw/zinc/47/51/26/526475126.db2.gz BBGJWACFXMZZBG-MRXNPFEDSA-N 0 0 431.920 3.533 50 0 IHAARN O=C(NCCn1cnc2cc(C(=O)N3CCCC3)ccc21)Nc1ccc(F)c(Cl)c1 ZINC000021714181 526475353 /nfs/dbraw/zinc/47/53/53/526475353.db2.gz GEOJRGKJFHGETI-UHFFFAOYSA-N 0 0 429.883 3.887 50 0 IHAARN O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)on1)NCC1CC1 ZINC000036013652 526476105 /nfs/dbraw/zinc/47/61/05/526476105.db2.gz BBGJWACFXMZZBG-INIZCTEOSA-N 0 0 431.920 3.533 50 0 IHAARN O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000011907129 526491610 /nfs/dbraw/zinc/49/16/10/526491610.db2.gz SAOJJBMDMYNFQM-QHCPKHFHSA-N 0 0 431.517 3.817 50 0 IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012515858 526503681 /nfs/dbraw/zinc/50/36/81/526503681.db2.gz VCIWPWYMJZWWBO-UHFFFAOYSA-N 0 0 439.865 3.828 50 0 IHAARN Cc1noc(C)c1CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022782292 526503798 /nfs/dbraw/zinc/50/37/98/526503798.db2.gz VCZWMZOBVAIKSI-UHFFFAOYSA-N 0 0 430.858 3.720 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(Br)cc1 ZINC000012776679 526512314 /nfs/dbraw/zinc/51/23/14/526512314.db2.gz CDUUSOUVNHEUNR-UHFFFAOYSA-N 0 0 437.359 3.635 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009666371 526536951 /nfs/dbraw/zinc/53/69/51/526536951.db2.gz QOLFECVLVKDBCU-UHFFFAOYSA-N 0 0 442.516 3.613 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000012473666 526568385 /nfs/dbraw/zinc/56/83/85/526568385.db2.gz JCPQMBKVCXWCGD-LJQANCHMSA-N 0 0 440.975 3.716 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1 ZINC000012396517 526569894 /nfs/dbraw/zinc/56/98/94/526569894.db2.gz KNWMQPMXXPLIRY-UHFFFAOYSA-N 0 0 449.623 3.711 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000020614620 526579036 /nfs/dbraw/zinc/57/90/36/526579036.db2.gz ROWVWUAOCXWZFT-HSZRJFAPSA-N 0 0 447.510 3.848 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)COC(=O)CCn3c(=O)oc4ccccc43)c2)cs1 ZINC000017600537 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Cn1c(CCNC(=O)C2(c3ccc(Cl)cc3)CC2)nnc1SCc1ccccn1 ZINC000012511994 527049098 /nfs/dbraw/zinc/04/90/98/527049098.db2.gz ASZUHIXWYSUJAM-UHFFFAOYSA-N 0 0 427.961 3.546 50 0 IHAARN O=C(CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000012377128 527056755 /nfs/dbraw/zinc/05/67/55/527056755.db2.gz PGQVNCKYLKPWIS-UHFFFAOYSA-N 0 0 429.864 3.632 50 0 biogenic,in-vitro IHAARN O=C(CSc1nc2ccccc2s1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023156390 527064278 /nfs/dbraw/zinc/06/42/78/527064278.db2.gz MFFMVQMIUHZYBO-GOSISDBHSA-N 0 0 431.558 3.717 50 0 IHAARN O=C(CSc1nnc2ccc(C(=O)NCc3ccccc3)cn21)Nc1ccc(F)cc1 ZINC000033284539 527089288 /nfs/dbraw/zinc/08/92/88/527089288.db2.gz WYQDGXSCERXEJB-UHFFFAOYSA-N 0 0 435.484 3.529 50 0 IHAARN NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000012742149 527090567 /nfs/dbraw/zinc/09/05/67/527090567.db2.gz CVQBMMMCQWGCJV-UHFFFAOYSA-N 0 0 432.509 3.591 50 0 IHAARN Cn1c2cc(NC(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c(=O)c1=O ZINC000033265679 527095463 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Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000000642339 555518986 /nfs/dbraw/zinc/51/89/86/555518986.db2.gz KUHOPJSBKKZXJP-UHFFFAOYSA-N 0 0 449.511 3.768 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000655098 555524394 /nfs/dbraw/zinc/52/43/94/555524394.db2.gz AUXUWNHAKLVKQN-UHFFFAOYSA-N 0 0 438.549 3.858 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000000655076 555524479 /nfs/dbraw/zinc/52/44/79/555524479.db2.gz SUUSFSCJSXITSJ-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000000666430 555528634 /nfs/dbraw/zinc/52/86/34/555528634.db2.gz CKBOUXMZVRHVBS-MRXNPFEDSA-N 0 0 439.306 3.667 50 0 IHAARN COc1ccc(C)cc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000000670218 555530744 /nfs/dbraw/zinc/53/07/44/555530744.db2.gz MSMBFWRBPHVVJD-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccccc2NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000671520 555531515 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O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000000802387 555559426 /nfs/dbraw/zinc/55/94/26/555559426.db2.gz AGVQYXIXWDQINK-UHFFFAOYSA-N 0 0 445.500 3.523 50 0 IHAARN CCn1ncc(CNC(=O)c2cnn3c2nc(-c2ccc(OC)cc2)cc3C(F)F)c1C ZINC000000815406 555561798 /nfs/dbraw/zinc/56/17/98/555561798.db2.gz MOUBTHNHKVWTLJ-UHFFFAOYSA-N 0 0 440.454 3.797 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000839608 555567599 /nfs/dbraw/zinc/56/75/99/555567599.db2.gz QTLRQHFCOWXRHH-UHFFFAOYSA-N 0 0 438.505 3.692 50 0 IHAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 ZINC000000851719 555570745 /nfs/dbraw/zinc/57/07/45/555570745.db2.gz NCWFVRXHXORZSL-ZDUSSCGKSA-N 0 0 436.689 3.882 50 0 IHAARN CCOc1ccccc1N(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000000857854 555571592 /nfs/dbraw/zinc/57/15/92/555571592.db2.gz SDBSDBNQSKVFNU-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000000875772 555576250 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O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000000975925 555592318 /nfs/dbraw/zinc/59/23/18/555592318.db2.gz VVSXFZSGKPMELW-UHFFFAOYSA-N 0 0 449.326 3.554 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 ZINC000000986427 555595106 /nfs/dbraw/zinc/59/51/06/555595106.db2.gz ZAJYDZITVRGBLR-UHFFFAOYSA-N 0 0 436.599 3.833 50 0 IHAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000993314 555597759 /nfs/dbraw/zinc/59/77/59/555597759.db2.gz LLEWEBVHCCNZHP-PBHICJAKSA-N 0 0 443.883 3.684 50 0 IHAARN CC(=O)Nc1ccc(C(=O)CSc2n[nH]c(=O)n2-c2ccccc2C(F)(F)F)cc1 ZINC000001030391 555605656 /nfs/dbraw/zinc/60/56/56/555605656.db2.gz QKHMBEHKZCTXJT-UHFFFAOYSA-N 0 0 436.415 3.513 50 0 IHAARN COc1ccc(OC[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)cc1 ZINC000001032787 555606570 /nfs/dbraw/zinc/60/65/70/555606570.db2.gz UIXFOWSOEIXQOL-MRXNPFEDSA-N 0 0 428.872 3.706 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 ZINC000001049806 555612606 /nfs/dbraw/zinc/61/26/06/555612606.db2.gz GYDVTOBBMXXBDX-UHFFFAOYSA-N 0 0 448.508 3.671 50 0 IHAARN COC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC ZINC000001057784 555614795 /nfs/dbraw/zinc/61/47/95/555614795.db2.gz HZIOHETURKBDRS-GOSISDBHSA-N 0 0 441.285 3.648 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2sc(C)c(C)c2c1=O ZINC000001058086 555615091 /nfs/dbraw/zinc/61/50/91/555615091.db2.gz OLRFGEMGMJJNEY-UHFFFAOYSA-N 0 0 431.539 3.597 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1Br ZINC000001058762 555615387 /nfs/dbraw/zinc/61/53/87/555615387.db2.gz JHZSLKSZALWPEA-UHFFFAOYSA-N 0 0 446.754 3.780 50 0 IHAARN CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000001061662 555616393 /nfs/dbraw/zinc/61/63/93/555616393.db2.gz KHAZIBWOGWOWDW-UHFFFAOYSA-N 0 0 431.739 3.752 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1 ZINC000001062967 555617032 /nfs/dbraw/zinc/61/70/32/555617032.db2.gz IXUXIQLFNWZONW-UHFFFAOYSA-N 0 0 431.583 3.511 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccco3)C2)c1 ZINC000001077214 555624607 /nfs/dbraw/zinc/62/46/07/555624607.db2.gz OBQSILNMLBMLTI-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)cc1 ZINC000001087818 555626908 /nfs/dbraw/zinc/62/69/08/555626908.db2.gz NAHLFLZIUIGTKJ-ZCOIRKDISA-N 0 0 425.484 3.628 50 0 IHAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000001091371 555627113 /nfs/dbraw/zinc/62/71/13/555627113.db2.gz OBXZXHFSTBKDDH-ZCOIRKDISA-N 0 0 437.451 3.555 50 0 IHAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000001096630 555628047 /nfs/dbraw/zinc/62/80/47/555628047.db2.gz PNTDTKMOCWCINB-JKSUJKDBSA-N 0 0 430.835 3.971 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)ccc1O ZINC000001105501 555629247 /nfs/dbraw/zinc/62/92/47/555629247.db2.gz MGXGUQHBETXMEA-QGZVFWFLSA-N 0 0 448.342 3.595 50 0 IHAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001106943 555629619 /nfs/dbraw/zinc/62/96/19/555629619.db2.gz DIALFECDAMVVKK-ZSOIEALJSA-N 0 0 425.293 3.826 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001111011 555631726 /nfs/dbraw/zinc/63/17/26/555631726.db2.gz AVWREOAZDCHWLX-NSHDSACASA-N 0 0 431.739 3.896 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 ZINC000001115267 555633990 /nfs/dbraw/zinc/63/39/90/555633990.db2.gz IAGKACUXHXQANG-OAHLLOKOSA-N 0 0 440.525 3.863 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)cc2)cc1OC ZINC000001118561 555636104 /nfs/dbraw/zinc/63/61/04/555636104.db2.gz NUGGDDVWKXSTGD-DEOSSOPVSA-N 0 0 446.503 4.000 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2Cl)cc1 ZINC000001125530 555640548 /nfs/dbraw/zinc/64/05/48/555640548.db2.gz ATWOLQAAIVWIOC-UHFFFAOYSA-N 0 0 432.929 3.749 50 0 IHAARN O=C(CCc1ccccc1)NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001126172 555640701 /nfs/dbraw/zinc/64/07/01/555640701.db2.gz BCTDTWMCWHPTCX-UHFFFAOYSA-N 0 0 436.606 3.966 50 0 IHAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000001132349 555645465 /nfs/dbraw/zinc/64/54/65/555645465.db2.gz BJCIPLXKPRTNBI-UHFFFAOYSA-N 0 0 428.311 3.828 50 0 IHAARN CN(c1nc(O)c(CC(=O)Nc2ccc(Br)cc2)s1)c1ccc(O)cc1 ZINC000001143232 555651270 /nfs/dbraw/zinc/65/12/70/555651270.db2.gz GUVYFAHTUWJAQV-HNNXBMFYSA-N 0 0 434.315 3.618 50 0 aggregator IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000001144299 555652108 /nfs/dbraw/zinc/65/21/08/555652108.db2.gz ZSSNIDDQXDTNTJ-UHFFFAOYSA-N 0 0 431.286 3.669 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001144479 555652443 /nfs/dbraw/zinc/65/24/43/555652443.db2.gz SHTIGVMYCRYMIR-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001147064 555654135 /nfs/dbraw/zinc/65/41/35/555654135.db2.gz YDOVBHHWPMKFBC-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000001163953 555663315 /nfs/dbraw/zinc/66/33/15/555663315.db2.gz HAJKBTDQVXHULN-UHFFFAOYSA-N 0 0 427.353 3.771 50 0 IHAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000001166845 555664393 /nfs/dbraw/zinc/66/43/93/555664393.db2.gz FPENMLBUSLNFHA-ZDUSSCGKSA-N 0 0 441.347 3.641 50 0 IHAARN COc1ccc(CCNC(=O)COc2ccc(Br)cc2Cl)cc1OC ZINC000001168937 555665305 /nfs/dbraw/zinc/66/53/05/555665305.db2.gz YYGUIZDSBQXAKR-UHFFFAOYSA-N 0 0 428.710 3.857 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)ccc1Br ZINC000001168958 555665323 /nfs/dbraw/zinc/66/53/23/555665323.db2.gz IZSVUEYGMDFRPY-SFHVURJKSA-N 0 0 431.286 3.786 50 0 IHAARN COC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1 ZINC000001172710 555667903 /nfs/dbraw/zinc/66/79/03/555667903.db2.gz ASNCTYGIGVACJU-UHFFFAOYSA-N 0 0 448.504 3.783 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000001174371 555668966 /nfs/dbraw/zinc/66/89/66/555668966.db2.gz AJSISDIMPQOHNQ-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN COc1ccc(/C=c2\sc3nc4c(cc(C)c(C)c4Br)n3c2=O)cc1O ZINC000001175470 555669387 /nfs/dbraw/zinc/66/93/87/555669387.db2.gz JJGICTLLISUFSX-NVNXTCNLSA-N 0 0 431.311 3.550 50 0 IHAARN COc1cccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)c1OC ZINC000001194601 555676321 /nfs/dbraw/zinc/67/63/21/555676321.db2.gz SWLFWLICAJTFIQ-UVTDQMKNSA-N 0 0 435.217 3.653 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC ZINC000001241599 555687176 /nfs/dbraw/zinc/68/71/76/555687176.db2.gz FFDZQWXGDYMPMZ-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN CC(=O)Nc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc32)cc1 ZINC000001248585 555687512 /nfs/dbraw/zinc/68/75/12/555687512.db2.gz KKSGMDHECXTUMM-UHFFFAOYSA-N 0 0 447.520 3.955 50 0 IHAARN O=C(COc1ccccc1F)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000001253576 555687790 /nfs/dbraw/zinc/68/77/90/555687790.db2.gz SCPGNWSYGIAROZ-CQSZACIVSA-N 0 0 432.517 3.692 50 0 IHAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 ZINC000009960794 555690859 /nfs/dbraw/zinc/69/08/59/555690859.db2.gz ZVJNJJSCIVSSEU-UHFFFAOYSA-N 0 0 436.899 3.875 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1OC ZINC000001407273 555693741 /nfs/dbraw/zinc/69/37/41/555693741.db2.gz CHNZLKGVDWVTME-PEBXRYMYSA-N 0 0 431.448 3.688 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001840252 555719646 /nfs/dbraw/zinc/71/96/46/555719646.db2.gz JYOHUKDPYJUQRO-UHFFFAOYSA-N 0 0 435.057 3.505 50 0 IHAARN CCC(CC)NS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(Cl)cc2C)c1 ZINC000002171891 555752054 /nfs/dbraw/zinc/75/20/54/555752054.db2.gz ISHKBBIGIMCEBX-UHFFFAOYSA-N 0 0 438.977 3.924 50 0 IHAARN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccco1 ZINC000002220049 555759347 /nfs/dbraw/zinc/75/93/47/555759347.db2.gz NREGSTCHUWPDIL-UHFFFAOYSA-N 0 0 429.246 3.847 50 0 IHAARN CN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002239129 555761169 /nfs/dbraw/zinc/76/11/69/555761169.db2.gz PWRUUTYEWWIMCO-QGZVFWFLSA-N 0 0 436.364 3.992 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000002268576 555764102 /nfs/dbraw/zinc/76/41/02/555764102.db2.gz VOHZKNYJYUZENN-FQEVSTJZSA-N 0 0 442.265 3.939 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000002447308 555780608 /nfs/dbraw/zinc/78/06/08/555780608.db2.gz CQTCMKVGKLDCKI-UHFFFAOYSA-N 0 0 447.520 3.873 50 0 IHAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000002493105 555784242 /nfs/dbraw/zinc/78/42/42/555784242.db2.gz UDVMQQJXVVNLTB-OAQYLSRUSA-N 0 0 446.297 3.785 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(Br)cc3)sc2c1 ZINC000002501549 555784596 /nfs/dbraw/zinc/78/45/96/555784596.db2.gz CRKMGTFXFLAMJK-UHFFFAOYSA-N 0 0 425.329 3.644 50 0 IHAARN O=C(NCCSc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002503580 555784802 /nfs/dbraw/zinc/78/48/02/555784802.db2.gz QUYVBKHCPNRKJV-JOCHJYFZSA-N 0 0 440.590 3.901 50 0 IHAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002532637 555786176 /nfs/dbraw/zinc/78/61/76/555786176.db2.gz APQVKVLJOAOWCE-UHFFFAOYSA-N 0 0 426.192 3.817 50 0 IHAARN COc1ccc(CN2CCO[C@@H](CN(CC(C)C)C(=O)c3cccc(F)c3)C2)c(OC)c1 ZINC000034691290 555803723 /nfs/dbraw/zinc/80/37/23/555803723.db2.gz LNVCQLUDGYBJKG-HSZRJFAPSA-N 0 0 444.547 3.842 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=S ZINC000002730082 555803762 /nfs/dbraw/zinc/80/37/62/555803762.db2.gz AJIROMGQGCWMQY-SFHVURJKSA-N 0 0 431.945 3.695 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3ccccc3F)c2c(=O)n(C2CCCC2)c1=O ZINC000034693010 555805939 /nfs/dbraw/zinc/80/59/39/555805939.db2.gz XKAACLFCGUHRFD-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN O=c1c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c(=O)n1CC1CC1 ZINC000034693967 555808861 /nfs/dbraw/zinc/80/88/61/555808861.db2.gz OASSEOAWVWDNNS-UHFFFAOYSA-N 0 0 440.425 3.826 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(-c2ccc(C)cc2)c1=O ZINC000034694009 555808949 /nfs/dbraw/zinc/80/89/49/555808949.db2.gz CFJSANNXDBIJBJ-UHFFFAOYSA-N 0 0 428.414 3.744 50 0 IHAARN Nc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1 ZINC000002769153 555814512 /nfs/dbraw/zinc/81/45/12/555814512.db2.gz JZESGBVOPLCXNA-UHFFFAOYSA-N 0 0 435.534 3.669 50 0 IHAARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1C(=O)c1ccco1 ZINC000034706552 555821582 /nfs/dbraw/zinc/82/15/82/555821582.db2.gz LERXILJMUJLLLC-HNNXBMFYSA-N 0 0 444.520 3.950 50 0 IHAARN CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1I ZINC000002813313 555828236 /nfs/dbraw/zinc/82/82/36/555828236.db2.gz ANQMRALHVCDNLZ-JXAWBTAJSA-N 0 0 448.304 3.978 50 0 IHAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000002840952 555835576 /nfs/dbraw/zinc/83/55/76/555835576.db2.gz KZFRJLXGDUAEPT-UHFFFAOYSA-N 0 0 443.960 3.921 50 0 IHAARN COC(=O)C(C)(C)[C@@H]1c2c(ccc3ccccc32)OC(=O)[C@@H]1C(=O)NCc1ccccc1 ZINC000002841586 555835825 /nfs/dbraw/zinc/83/58/25/555835825.db2.gz YNDZCVDCPKJDSR-FCHUYYIVSA-N 0 0 431.488 3.974 50 0 IHAARN COC(=O)C(C)(C)[C@H]1c2c(ccc3ccccc32)OC(=O)[C@H]1C(=O)NCc1ccccc1 ZINC000002841583 555835836 /nfs/dbraw/zinc/83/58/36/555835836.db2.gz YNDZCVDCPKJDSR-YADHBBJMSA-N 0 0 431.488 3.974 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCN(C(=O)c4cccs4)[C@H](C)C3)n12 ZINC000034700050 555837002 /nfs/dbraw/zinc/83/70/02/555837002.db2.gz QVKNXUDCJQDZLI-GFCCVEGCSA-N 0 0 426.933 3.652 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000002851007 555839298 /nfs/dbraw/zinc/83/92/98/555839298.db2.gz VSJTWXNGTIJQPA-UHFFFAOYSA-N 0 0 446.569 3.668 50 0 IHAARN CC(C)OCCCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002852340 555839908 /nfs/dbraw/zinc/83/99/08/555839908.db2.gz PEKXGDICMDQFFI-SFHVURJKSA-N 0 0 434.558 3.565 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccc(Cl)cc1 ZINC000002875846 555852380 /nfs/dbraw/zinc/85/23/80/555852380.db2.gz JJGUPGCDCGNOIO-UHFFFAOYSA-N 0 0 431.739 3.503 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000002962459 555867946 /nfs/dbraw/zinc/86/79/46/555867946.db2.gz SRNIDIOWASNTTO-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1Cl ZINC000002978745 555870871 /nfs/dbraw/zinc/87/08/71/555870871.db2.gz BDNBWLBWKPJRQN-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(C)c(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000002982710 555873160 /nfs/dbraw/zinc/87/31/60/555873160.db2.gz INBVZGIDQDUKMG-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000003017861 555881217 /nfs/dbraw/zinc/88/12/17/555881217.db2.gz DRBDBMVZMCNZRL-UHFFFAOYSA-N 0 0 436.961 3.911 50 0 IHAARN CCCCCCC(=O)N[C@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl ZINC000003118661 555888805 /nfs/dbraw/zinc/88/88/05/555888805.db2.gz XKVMANXZYUNASP-AWEZNQCLSA-N 0 0 430.785 3.529 50 0 IHAARN CN(C)C(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003130747 555890178 /nfs/dbraw/zinc/89/01/78/555890178.db2.gz QQPUMNCVZJBCJG-SECBINFHSA-N 0 0 448.601 3.703 50 0 IHAARN C[C@@H](NC(=O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O)c1ccccc1 ZINC000034811285 555909065 /nfs/dbraw/zinc/90/90/65/555909065.db2.gz WNVZFERRLGYQMG-CQSZACIVSA-N 0 0 426.879 3.823 50 0 IHAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000034787928 555916077 /nfs/dbraw/zinc/91/60/77/555916077.db2.gz ZYSMKYDZXMRUMF-XMMPIXPASA-N 0 0 439.625 3.721 50 0 IHAARN COc1ccc(C(=O)N2CCN(Cc3noc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 ZINC000034904835 555919284 /nfs/dbraw/zinc/91/92/84/555919284.db2.gz XCBCJKKZXNTTQE-UHFFFAOYSA-N 0 0 446.429 3.722 50 0 IHAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)C(C)(C)C)CC2)cs1 ZINC000034905693 555920084 /nfs/dbraw/zinc/92/00/84/555920084.db2.gz XUIKVWSLXIBWJA-UHFFFAOYSA-N 0 0 445.585 3.934 50 0 IHAARN CCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1-c1ccc(OC)cc1OC ZINC000034901273 555929334 /nfs/dbraw/zinc/92/93/34/555929334.db2.gz KLEXIGCYUBQTIG-UHFFFAOYSA-N 0 0 439.512 3.577 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003446187 555934241 /nfs/dbraw/zinc/93/42/41/555934241.db2.gz QCLFNJSRILTXND-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OC ZINC000003652818 555943879 /nfs/dbraw/zinc/94/38/79/555943879.db2.gz CVQUZUDDZKVFJN-NVNXTCNLSA-N 0 0 435.249 3.698 50 0 IHAARN COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 ZINC000004176740 555973363 /nfs/dbraw/zinc/97/33/63/555973363.db2.gz UREGWSMHHZNRHR-GOSISDBHSA-N 0 0 441.944 3.628 50 0 IHAARN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004196718 555975708 /nfs/dbraw/zinc/97/57/08/555975708.db2.gz CODBAYOBGSMWFR-OAHLLOKOSA-N 0 0 437.883 3.855 50 0 IHAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000004587012 556003475 /nfs/dbraw/zinc/00/34/75/556003475.db2.gz NMECJSGEUJSGGT-GOSISDBHSA-N 0 0 425.535 3.871 50 0 IHAARN Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C ZINC000010560776 556005303 /nfs/dbraw/zinc/00/53/03/556005303.db2.gz JKXWFYAPPWWXDR-UHFFFAOYSA-N 0 0 448.610 3.672 50 0 IHAARN CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005050931 556030308 /nfs/dbraw/zinc/03/03/08/556030308.db2.gz CDELUVSDRAQPTL-UHFFFAOYSA-N 0 0 430.614 3.933 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000006391949 556086623 /nfs/dbraw/zinc/08/66/23/556086623.db2.gz OOARFCPPSUHQEM-UHFFFAOYSA-N 0 0 448.552 3.625 50 0 IHAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OCCOC(C)C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000006577464 556095670 /nfs/dbraw/zinc/09/56/70/556095670.db2.gz VJNHLBITQGJPFU-OAHLLOKOSA-N 0 0 445.512 3.843 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O ZINC000002702453 556122688 /nfs/dbraw/zinc/12/26/88/556122688.db2.gz IYNKROIZPBWORX-PKOBYXMFSA-N 0 0 430.526 3.850 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nc2c(c1=O)SCC2 ZINC000002719842 556125946 /nfs/dbraw/zinc/12/59/46/556125946.db2.gz IRFPUJJMEXDYHW-UHFFFAOYSA-N 0 0 440.546 3.725 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccc(F)cc1 ZINC000002719958 556126173 /nfs/dbraw/zinc/12/61/73/556126173.db2.gz GPVHDRAYPQQHNV-UHFFFAOYSA-N 0 0 445.516 3.567 50 0 IHAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002723418 556128465 /nfs/dbraw/zinc/12/84/65/556128465.db2.gz JDEZCZMUPFZWEM-UHFFFAOYSA-N 0 0 446.916 3.817 50 0 IHAARN COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002755675 556137541 /nfs/dbraw/zinc/13/75/41/556137541.db2.gz FCSWWZMUINPGIF-JSGCOSHPSA-N 0 0 447.255 3.682 50 0 IHAARN O=C(NN1CCOCC1)c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F ZINC000002779265 556141373 /nfs/dbraw/zinc/14/13/73/556141373.db2.gz SJVWBDQSTXSJNK-UHFFFAOYSA-N 0 0 441.413 3.545 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ncnc3sc(C)c(C)c32)c1 ZINC000002889056 556147505 /nfs/dbraw/zinc/14/75/05/556147505.db2.gz ASUKCJAZCKNUQQ-UHFFFAOYSA-N 0 0 445.522 3.612 50 0 IHAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C ZINC000002954400 556150943 /nfs/dbraw/zinc/15/09/43/556150943.db2.gz NARYPQURFZXMEQ-QGZVFWFLSA-N 0 0 429.923 3.798 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)CS(=O)(=O)C2 ZINC000003008459 556154915 /nfs/dbraw/zinc/15/49/15/556154915.db2.gz SKUNDYSWDIFGCY-UHFFFAOYSA-N 0 0 446.326 3.624 50 0 IHAARN CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015431 556158206 /nfs/dbraw/zinc/15/82/06/556158206.db2.gz SPYBHPCONYBHMR-UHFFFAOYSA-N 0 0 433.508 3.874 50 0 IHAARN COc1cccc(C(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000008384423 556160304 /nfs/dbraw/zinc/16/03/04/556160304.db2.gz AXLPWZDVYCPXKS-UHFFFAOYSA-N 0 0 440.473 3.811 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000008425384 556168259 /nfs/dbraw/zinc/16/82/59/556168259.db2.gz HATDRLMQIGREGQ-GOSISDBHSA-N 0 0 431.876 3.632 50 0 IHAARN O=C(c1cccs1)N1CCCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000008616544 556192537 /nfs/dbraw/zinc/19/25/37/556192537.db2.gz KZZPPLXEMPSROA-CQSZACIVSA-N 0 0 429.369 3.643 50 0 IHAARN COc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC ZINC000008666644 556197901 /nfs/dbraw/zinc/19/79/01/556197901.db2.gz XHXBGWUZEJJSLQ-UHFFFAOYSA-N 0 0 448.475 3.990 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1 ZINC000008670920 556198234 /nfs/dbraw/zinc/19/82/34/556198234.db2.gz VMDLLGKOOSMPNK-JOCHJYFZSA-N 0 0 444.491 3.847 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000008815923 556217144 /nfs/dbraw/zinc/21/71/44/556217144.db2.gz XFKCHNIRVKMLRJ-UHFFFAOYSA-N 0 0 449.532 3.822 50 0 IHAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c1 ZINC000097568040 556248179 /nfs/dbraw/zinc/24/81/79/556248179.db2.gz IOUREKIMMJEUSH-XFFZJAGNSA-N 0 0 441.535 3.769 50 0 IHAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1 ZINC000097568044 556248204 /nfs/dbraw/zinc/24/82/04/556248204.db2.gz IHYMOLOMPSCXON-KWEPMOPPSA-N 0 0 441.535 3.706 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009128801 556248589 /nfs/dbraw/zinc/24/85/89/556248589.db2.gz BALLBUFABSMGDX-VWLOTQADSA-N 0 0 433.435 3.604 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000009197376 556255679 /nfs/dbraw/zinc/25/56/79/556255679.db2.gz LKMNOGZVNQNSMB-PMACEKPBSA-N 0 0 439.541 3.646 50 0 IHAARN CC(=O)Oc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009198144 556256181 /nfs/dbraw/zinc/25/61/81/556256181.db2.gz MHCQBSDRYWGXFG-INIZCTEOSA-N 0 0 436.493 3.545 50 0 IHAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)c1 ZINC000009198211 556256266 /nfs/dbraw/zinc/25/62/66/556256266.db2.gz ZORGKJDRKZPTHD-OAHLLOKOSA-N 0 0 436.493 3.656 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(C)c3c(C)n(-c4ccccc4)nc32)cc1 ZINC000009224479 556257971 /nfs/dbraw/zinc/25/79/71/556257971.db2.gz QRPXVDOQQXFQGV-UHFFFAOYSA-N 0 0 433.537 3.849 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009238924 556265314 /nfs/dbraw/zinc/26/53/14/556265314.db2.gz PTWQQJZRDHQBRP-PMACEKPBSA-N 0 0 439.541 3.782 50 0 IHAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000032542038 556274317 /nfs/dbraw/zinc/27/43/17/556274317.db2.gz YZQPONPBMDXBDB-KRWDZBQOSA-N 0 0 439.537 3.758 50 0 IHAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]5ON=C(c6ccc(Cl)cc6)[C@H]45)[C@@H]3C2=O)cc1 ZINC000013692301 556282003 /nfs/dbraw/zinc/28/20/03/556282003.db2.gz JUKXLVWUIODHES-HVSHRVNHSA-N 0 0 434.879 3.717 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000009330668 556282588 /nfs/dbraw/zinc/28/25/88/556282588.db2.gz OLHLTRCPPXWSJF-UHFFFAOYSA-N 0 0 428.539 3.849 50 0 IHAARN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)sc2c1 ZINC000013722504 556290904 /nfs/dbraw/zinc/29/09/04/556290904.db2.gz DEQWERPWPJRQCF-UHFFFAOYSA-N 0 0 443.506 3.717 50 0 IHAARN COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C(=O)NCc3ccco3)c3ccccc3)cc21 ZINC000013724582 556292161 /nfs/dbraw/zinc/29/21/61/556292161.db2.gz QAEQWHLSEZKICT-NRFANRHFSA-N 0 0 433.464 3.566 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009525976 556296672 /nfs/dbraw/zinc/29/66/72/556296672.db2.gz RFOCCUDFMSFECE-LBPRGKRZSA-N 0 0 437.279 3.537 50 0 IHAARN O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(Br)cc1 ZINC000009573943 556300070 /nfs/dbraw/zinc/30/00/70/556300070.db2.gz XBZVOHYCGBAZKM-UHFFFAOYSA-N 0 0 430.331 3.923 50 0 IHAARN Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)cc1C ZINC000009601606 556302803 /nfs/dbraw/zinc/30/28/03/556302803.db2.gz HHALFJIGQZRDFR-UHFFFAOYSA-N 0 0 442.878 3.684 50 0 biogenic IHAARN CN1CCc2c(sc3nc(NC[C@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000013770343 556304907 /nfs/dbraw/zinc/30/49/07/556304907.db2.gz MMOHMGXHCAEACD-OAHLLOKOSA-N 0 0 430.961 3.679 50 0 IHAARN O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009667500 556304937 /nfs/dbraw/zinc/30/49/37/556304937.db2.gz HTSMIWIXYAZNCN-HNNXBMFYSA-N 0 0 426.929 3.968 50 0 IHAARN CC[C@H](Sc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000009830446 556311012 /nfs/dbraw/zinc/31/10/12/556311012.db2.gz STDZESKSBZKFDL-WMZOPIPTSA-N 0 0 442.516 3.619 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)c1 ZINC000009831042 556312336 /nfs/dbraw/zinc/31/23/36/556312336.db2.gz KGMNSGHLWVJZGH-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN CCOc1ccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 ZINC000013811256 556312515 /nfs/dbraw/zinc/31/25/15/556312515.db2.gz IVGMQXLRRNBBDF-UHFFFAOYSA-N 0 0 427.457 3.732 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009892639 556315667 /nfs/dbraw/zinc/31/56/67/556315667.db2.gz NVPYZLRBSUYLAK-UHFFFAOYSA-N 0 0 444.572 3.708 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009892375 556315706 /nfs/dbraw/zinc/31/57/06/556315706.db2.gz XSVSXUKFOVBCCQ-NRFANRHFSA-N 0 0 449.507 3.890 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000013838766 556317201 /nfs/dbraw/zinc/31/72/01/556317201.db2.gz RDBAFGYCZYOQBF-LJQANCHMSA-N 0 0 446.569 3.838 50 0 IHAARN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000013838930 556317235 /nfs/dbraw/zinc/31/72/35/556317235.db2.gz KBXHATWISLHZPU-UHFFFAOYSA-N 0 0 436.533 3.512 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C(C)C)cc1 ZINC000009934034 556317491 /nfs/dbraw/zinc/31/74/91/556317491.db2.gz NYBJNUTVCTZWTA-FQEVSTJZSA-N 0 0 437.496 3.746 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1 ZINC000013841791 556317788 /nfs/dbraw/zinc/31/77/88/556317788.db2.gz PEXGJAIGMXRFLZ-UHFFFAOYSA-N 0 0 430.917 3.981 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000032759181 556318781 /nfs/dbraw/zinc/31/87/81/556318781.db2.gz DPKYUIZAWBKVNB-KRWDZBQOSA-N 0 0 434.359 3.795 50 0 IHAARN COCCCn1c(=O)c2c3c(sc2nc1SCc1nc(C(C)(C)C)no1)CCC3 ZINC000032760701 556320988 /nfs/dbraw/zinc/32/09/88/556320988.db2.gz OWDWVAWKWVIQIV-UHFFFAOYSA-N 0 0 434.587 3.956 50 0 IHAARN COC(=O)c1cccc(NC2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)c1 ZINC000010011519 556322355 /nfs/dbraw/zinc/32/23/55/556322355.db2.gz UJTNVUBCNHAHDO-UHFFFAOYSA-N 0 0 434.473 3.680 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754862 556324113 /nfs/dbraw/zinc/32/41/13/556324113.db2.gz FPMHVUPSKCOEAG-HXUWFJFHSA-N 0 0 444.509 3.713 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000032755127 556324476 /nfs/dbraw/zinc/32/44/76/556324476.db2.gz HUZFFGWICWZAQL-UHFFFAOYSA-N 0 0 429.563 3.524 50 0 IHAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000010060220 556324722 /nfs/dbraw/zinc/32/47/22/556324722.db2.gz MPOBLFGUBTXUMS-UHFFFAOYSA-N 0 0 430.917 3.866 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1OC ZINC000010297219 556330117 /nfs/dbraw/zinc/33/01/17/556330117.db2.gz QAUOWDDNYBDTRE-OAQYLSRUSA-N 0 0 445.483 3.671 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@H]1CCCc2ccccc21 ZINC000032764695 556331874 /nfs/dbraw/zinc/33/18/74/556331874.db2.gz HQTBRABKOCYWQK-GOSISDBHSA-N 0 0 432.611 3.702 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000032768306 556333171 /nfs/dbraw/zinc/33/31/71/556333171.db2.gz YUOHOUTWMKDMRS-QGZVFWFLSA-N 0 0 443.956 3.586 50 0 IHAARN COc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)ccc1OCc1csc(C)n1 ZINC000032769231 556334215 /nfs/dbraw/zinc/33/42/15/556334215.db2.gz YDBUNOSETLKRAR-UHFFFAOYSA-N 0 0 435.509 3.550 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000032770653 556334889 /nfs/dbraw/zinc/33/48/89/556334889.db2.gz KULLGUPTJDMWJD-UHFFFAOYSA-N 0 0 446.550 3.551 50 0 IHAARN COc1cc(C)c(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC ZINC000022921949 556341084 /nfs/dbraw/zinc/34/10/84/556341084.db2.gz GCIUTFQQZFKIPH-QGZVFWFLSA-N 0 0 431.964 3.810 50 0 IHAARN CSc1cccc(NC(=O)N2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000011661805 556343617 /nfs/dbraw/zinc/34/36/17/556343617.db2.gz DPODZPSAMVJYQA-HNNXBMFYSA-N 0 0 427.526 3.811 50 0 IHAARN COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000011698658 556346995 /nfs/dbraw/zinc/34/69/95/556346995.db2.gz MZJZKXNDDDCWFU-UHFFFAOYSA-N 0 0 437.500 3.733 50 0 IHAARN COC(=O)c1ccc(CNC(=O)c2cc(COc3ccc(Cl)cc3OC)on2)cc1 ZINC000011710536 556347747 /nfs/dbraw/zinc/34/77/47/556347747.db2.gz GJVFQCBPXRCXQN-UHFFFAOYSA-N 0 0 430.844 3.632 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c1 ZINC000032788314 556350320 /nfs/dbraw/zinc/35/03/20/556350320.db2.gz CRROOBNBPOOBLV-QHCPKHFHSA-N 0 0 435.568 3.692 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011782452 556350977 /nfs/dbraw/zinc/35/09/77/556350977.db2.gz HHLZEGGHKXMAQX-HXUWFJFHSA-N 0 0 425.960 3.655 50 0 IHAARN CCc1nc2cc(NC(C)=O)cc(C(=O)NCCc3ccco3)c2n1Cc1cccnc1 ZINC000011784914 556352768 /nfs/dbraw/zinc/35/27/68/556352768.db2.gz YFPQCOIFXKWMLO-UHFFFAOYSA-N 0 0 431.496 3.566 50 0 IHAARN O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000011785484 556353120 /nfs/dbraw/zinc/35/31/20/556353120.db2.gz SBOKIZAMEJAOBR-GOSISDBHSA-N 0 0 429.923 3.865 50 0 IHAARN O=C(Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000014008791 556353779 /nfs/dbraw/zinc/35/37/79/556353779.db2.gz WSBBSLWWLHGAER-STZFKDTASA-N 0 0 447.516 3.741 50 0 IHAARN COc1ccccc1[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C)C1=O ZINC000011788072 556354235 /nfs/dbraw/zinc/35/42/35/556354235.db2.gz XGWBIGBGJWSESP-YADARESESA-N 0 0 440.927 3.729 50 0 IHAARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789237 556355003 /nfs/dbraw/zinc/35/50/03/556355003.db2.gz UNVDAAOVFRPSOJ-QHCPKHFHSA-N 0 0 442.922 3.986 50 0 IHAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000011790854 556355734 /nfs/dbraw/zinc/35/57/34/556355734.db2.gz YBCHTUJNBAQMKE-AWEZNQCLSA-N 0 0 449.536 3.773 50 0 IHAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000011819043 556360933 /nfs/dbraw/zinc/36/09/33/556360933.db2.gz SORKIRDHVRYYCV-JOCHJYFZSA-N 0 0 432.524 3.976 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)Cc2nc3c(s2)CCCC3)n1Cc1ccccc1 ZINC000011819468 556361548 /nfs/dbraw/zinc/36/15/48/556361548.db2.gz DMTABYNFJDULTP-UHFFFAOYSA-N 0 0 444.626 3.692 50 0 IHAARN CCc1c(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cnn1-c1ccc(F)cc1 ZINC000032796722 556362477 /nfs/dbraw/zinc/36/24/77/556362477.db2.gz JCPHNZXMLGUZBH-UHFFFAOYSA-N 0 0 444.532 3.857 50 0 IHAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014086159 556364801 /nfs/dbraw/zinc/36/48/01/556364801.db2.gz DWOMYBRJFLNFSX-UHFFFAOYSA-N 0 0 426.523 3.530 50 0 IHAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCCC[C@H]3CO)cc(NC(C)=O)c21 ZINC000011841448 556365107 /nfs/dbraw/zinc/36/51/07/556365107.db2.gz IAEHYVCXWFQXOF-KRWDZBQOSA-N 0 0 438.503 3.808 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000014095339 556367146 /nfs/dbraw/zinc/36/71/46/556367146.db2.gz BZODWMFJOVJBIQ-UHFFFAOYSA-N 0 0 437.525 3.843 50 0 IHAARN COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sc(C)c(C)c2c1=O ZINC000014095617 556367564 /nfs/dbraw/zinc/36/75/64/556367564.db2.gz NCYTTWOUYFVNOL-UHFFFAOYSA-N 0 0 447.582 3.844 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014117102 556371270 /nfs/dbraw/zinc/37/12/70/556371270.db2.gz ZWYPTEPVUHRMLF-WOJBJXKFSA-N 0 0 443.613 3.842 50 0 IHAARN COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cc(C(N)=O)ccc1Cl ZINC000014121337 556372264 /nfs/dbraw/zinc/37/22/64/556372264.db2.gz AGWTXAUTDAIAIJ-UHFFFAOYSA-N 0 0 430.913 3.843 50 0 IHAARN COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000014123438 556372426 /nfs/dbraw/zinc/37/24/26/556372426.db2.gz MOZJIELDEKVFBA-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(F)cc1Cl)CC2 ZINC000011913092 556375979 /nfs/dbraw/zinc/37/59/79/556375979.db2.gz RRFHDAFWHIBNDF-LJQANCHMSA-N 0 0 429.923 3.865 50 0 IHAARN COc1ccccc1C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914230 556376221 /nfs/dbraw/zinc/37/62/21/556376221.db2.gz DXXNGAGZFRSKQP-SFHVURJKSA-N 0 0 443.496 3.924 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000011914009 556376245 /nfs/dbraw/zinc/37/62/45/556376245.db2.gz QUAYXUXYFJCWSI-IBGZPJMESA-N 0 0 443.496 3.924 50 0 IHAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000014157938 556377842 /nfs/dbraw/zinc/37/78/42/556377842.db2.gz DNFNMHVMACPGLF-NRFANRHFSA-N 0 0 431.414 3.600 50 0 IHAARN O=C(c1nc2sccn2c1CN(CCO)Cc1ccccc1)N1CCCCCCC1 ZINC000011935207 556377879 /nfs/dbraw/zinc/37/78/79/556377879.db2.gz FKEDVQQIFIMSMO-UHFFFAOYSA-N 0 0 426.586 3.797 50 0 IHAARN O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000011936604 556378621 /nfs/dbraw/zinc/37/86/21/556378621.db2.gz MIQDTKGKVKBDRL-GOSISDBHSA-N 0 0 425.483 3.879 50 0 IHAARN CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 ZINC000014167102 556380084 /nfs/dbraw/zinc/38/00/84/556380084.db2.gz AIFCLJHNHTWDOG-WAIKUNEKSA-N 0 0 428.554 3.569 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)CC[C@]2(Cc3cc(OC)ccc3F)CCC(=O)N2)c1 ZINC000011973061 556382786 /nfs/dbraw/zinc/38/27/86/556382786.db2.gz SNGYAJBQOOUBEB-VOIUYBSRSA-N 0 0 428.504 3.692 50 0 IHAARN NC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000014185859 556385463 /nfs/dbraw/zinc/38/54/63/556385463.db2.gz SHNWZKZDSDKKGJ-DEOSSOPVSA-N 0 0 431.517 3.812 50 0 IHAARN O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014185338 556385508 /nfs/dbraw/zinc/38/55/08/556385508.db2.gz ARUBICBLUUHRDI-LJQANCHMSA-N 0 0 434.558 3.580 50 0 IHAARN O=c1c2cc(Br)ccc2ncn1C[C@@H](O)COc1cccc2ccccc21 ZINC000014186599 556386433 /nfs/dbraw/zinc/38/64/33/556386433.db2.gz YEOJFZMZNSLPBO-MRXNPFEDSA-N 0 0 425.282 3.752 50 0 IHAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)Cc3cccs3)cc2)CC1 ZINC000012019846 556386764 /nfs/dbraw/zinc/38/67/64/556386764.db2.gz CBFDSBNMKKQGPN-KRWDZBQOSA-N 0 0 430.570 3.515 50 0 IHAARN COc1ccc(-c2noc(CSc3nc4c(cnn4-c4ccc(C)cc4)c(=O)[nH]3)n2)cc1 ZINC000014199101 556390020 /nfs/dbraw/zinc/39/00/20/556390020.db2.gz VCFQEPRAXSMLTQ-UHFFFAOYSA-N 0 0 446.492 3.768 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000012038808 556390513 /nfs/dbraw/zinc/39/05/13/556390513.db2.gz XAXONPAMMSTNFE-AVRWGWEMSA-N 0 0 438.499 3.542 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000014200512 556391014 /nfs/dbraw/zinc/39/10/14/556391014.db2.gz YCAJHXVTZAEMEJ-JTQLQIEISA-N 0 0 433.584 3.545 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)(F)F ZINC000032809350 556394161 /nfs/dbraw/zinc/39/41/61/556394161.db2.gz YKVMBWSOMSRRQM-OAQYLSRUSA-N 0 0 447.413 3.913 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)s2)cs1 ZINC000014227128 556395195 /nfs/dbraw/zinc/39/51/95/556395195.db2.gz XYRIXXUFAJMICV-UHFFFAOYSA-N 0 0 449.623 3.977 50 0 IHAARN COC(=O)CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012074217 556396837 /nfs/dbraw/zinc/39/68/37/556396837.db2.gz AJGOFJMNQQAAER-LJQANCHMSA-N 0 0 433.508 3.965 50 0 IHAARN Cc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c(C)o1 ZINC000012075503 556397432 /nfs/dbraw/zinc/39/74/32/556397432.db2.gz GXMGVKITJKHNHK-UHFFFAOYSA-N 0 0 436.468 3.551 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000012078486 556398377 /nfs/dbraw/zinc/39/83/77/556398377.db2.gz WZCLLSOLVDHFIE-NRFANRHFSA-N 0 0 439.519 3.609 50 0 IHAARN C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nn1cnc2ccccc21 ZINC000014236861 556399609 /nfs/dbraw/zinc/39/96/09/556399609.db2.gz ZNNARAIGTFKUGG-GFCCVEGCSA-N 0 0 439.566 3.605 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCC(C(=O)Nc4ccccc4O)CC3)c2C)no1 ZINC000014242195 556402631 /nfs/dbraw/zinc/40/26/31/556402631.db2.gz BQYRXYAZFZZORO-UHFFFAOYSA-N 0 0 436.512 3.630 50 0 IHAARN Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000022930300 556403977 /nfs/dbraw/zinc/40/39/77/556403977.db2.gz NOGIDEYXLPIOCG-UHFFFAOYSA-N 0 0 449.382 3.887 50 0 IHAARN C[C@@H]1CCc2sc(-c3nn(CN4CCN(c5cnccn5)CC4)c(=S)o3)cc2C1 ZINC000014250405 556408469 /nfs/dbraw/zinc/40/84/69/556408469.db2.gz AWXQYXZZHXHYSQ-CQSZACIVSA-N 0 0 428.587 3.629 50 0 IHAARN COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000032623885 556411003 /nfs/dbraw/zinc/41/10/03/556411003.db2.gz XYPPOCKJLFSJFW-UHFFFAOYSA-N 0 0 432.885 3.640 50 0 IHAARN CC(=O)c1cc(C)ccc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000032624154 556411160 /nfs/dbraw/zinc/41/11/60/556411160.db2.gz CBIRPDPXXZLPAS-UHFFFAOYSA-N 0 0 444.896 3.834 50 0 IHAARN Nn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccc(Cl)cc1 ZINC000032636409 556411782 /nfs/dbraw/zinc/41/17/82/556411782.db2.gz IGSQEQYYOGVGTK-UHFFFAOYSA-N 0 0 440.941 3.827 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 ZINC000012809392 556411953 /nfs/dbraw/zinc/41/19/53/556411953.db2.gz UHOYHHXOOBMBIN-QGZVFWFLSA-N 0 0 432.542 3.584 50 0 IHAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000032671984 556414473 /nfs/dbraw/zinc/41/44/73/556414473.db2.gz WLHXAZMLMBDRHY-UHFFFAOYSA-N 0 0 432.481 3.874 50 0 IHAARN CC[C@H](C)[C@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O ZINC000032672068 556414824 /nfs/dbraw/zinc/41/48/24/556414824.db2.gz JBLVBDDEGYYHOH-ORAYPTAESA-N 0 0 437.427 3.630 50 0 IHAARN Cn1c2ccccc2n(CC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1=O ZINC000014370069 556415007 /nfs/dbraw/zinc/41/50/07/556415007.db2.gz XBPREPHSWCGMBT-UHFFFAOYSA-N 0 0 440.297 3.679 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000032674902 556415621 /nfs/dbraw/zinc/41/56/21/556415621.db2.gz OLZANBHDTGGKMP-LJQANCHMSA-N 0 0 434.583 3.715 50 0 IHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2nc(CN3CCCC3)cs2)CC1 ZINC000065200009 556419381 /nfs/dbraw/zinc/41/93/81/556419381.db2.gz SLBLIVNSIFQVGB-MRXNPFEDSA-N 0 0 434.993 3.508 50 0 IHAARN CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc(Br)c1OC ZINC000012974083 556419878 /nfs/dbraw/zinc/41/98/78/556419878.db2.gz PCEDKNCTIPGTSR-ZDUSSCGKSA-N 0 0 445.317 3.928 50 0 IHAARN Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)s1 ZINC000014530387 556419904 /nfs/dbraw/zinc/41/99/04/556419904.db2.gz IRIYQOSJEUUIBY-HXUWFJFHSA-N 0 0 427.570 3.654 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCC(C)CC3)cs1)C2=O ZINC000014527275 556420011 /nfs/dbraw/zinc/42/00/11/556420011.db2.gz FRCPPFMVKKQGHH-UHFFFAOYSA-N 0 0 440.569 3.698 50 0 IHAARN COC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)C1CC1)c(C(=O)OC)n2Cc1ccccc1 ZINC000014535463 556423210 /nfs/dbraw/zinc/42/32/10/556423210.db2.gz TZECHRRDEHYSKX-OAHLLOKOSA-N 0 0 436.512 3.667 50 0 IHAARN Cc1c(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000032841382 556427121 /nfs/dbraw/zinc/42/71/21/556427121.db2.gz QVZTXPWOIZPVHB-UHFFFAOYSA-N 0 0 433.508 3.706 50 0 IHAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000012993516 556429406 /nfs/dbraw/zinc/42/94/06/556429406.db2.gz USUPSCSYUUHRMM-LBPRGKRZSA-N 0 0 426.546 3.866 50 0 IHAARN O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012994451 556429942 /nfs/dbraw/zinc/42/99/42/556429942.db2.gz HWGNZZXUGXCRDI-UHFFFAOYSA-N 0 0 432.524 3.658 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccccc1Br ZINC000012994724 556430229 /nfs/dbraw/zinc/43/02/29/556430229.db2.gz GGTGZSUIPWMTHU-STQMWFEESA-N 0 0 437.359 3.651 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)c(C)c1 ZINC000012995236 556430508 /nfs/dbraw/zinc/43/05/08/556430508.db2.gz PAHLXFUHQWEEKQ-UHFFFAOYSA-N 0 0 437.565 3.615 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000012996036 556431049 /nfs/dbraw/zinc/43/10/49/556431049.db2.gz QTTOQAZNQPKGIA-UHFFFAOYSA-N 0 0 440.521 3.598 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000012997762 556431766 /nfs/dbraw/zinc/43/17/66/556431766.db2.gz QDKLQNKVMWTZJV-UHFFFAOYSA-N 0 0 447.944 3.510 50 0 IHAARN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000032853706 556432229 /nfs/dbraw/zinc/43/22/29/556432229.db2.gz BPAMPVXBTSPXKT-RUZDIDTESA-N 0 0 425.536 3.832 50 0 IHAARN O=S(=O)(c1ccc(OCCOc2ccccc2-c2ccccc2)cc1)N1CCOCC1 ZINC000032855705 556433144 /nfs/dbraw/zinc/43/31/44/556433144.db2.gz LTMMJXMSSYENLK-UHFFFAOYSA-N 0 0 439.533 3.832 50 0 IHAARN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 ZINC000013001131 556433416 /nfs/dbraw/zinc/43/34/16/556433416.db2.gz RMDURGMZUCTVID-UHFFFAOYSA-N 0 0 429.519 3.562 50 0 IHAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000027823106 556433668 /nfs/dbraw/zinc/43/36/68/556433668.db2.gz OAXLPSDLVWMEEI-UHFFFAOYSA-N 0 0 440.399 3.909 50 0 IHAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(CNC(=O)NC(C)C)cc3)o2)cc1 ZINC000027832829 556433890 /nfs/dbraw/zinc/43/38/90/556433890.db2.gz QFEZVRIBWAPMGM-OAHLLOKOSA-N 0 0 438.484 3.871 50 0 IHAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000027839197 556434257 /nfs/dbraw/zinc/43/42/57/556434257.db2.gz QHPOZNUQCAZVIV-UHFFFAOYSA-N 0 0 439.946 3.879 50 0 IHAARN Cc1noc2nc(-c3cccs3)cc(C(=O)OCC(=O)NCCc3ccc(F)cc3)c12 ZINC000014706480 556435207 /nfs/dbraw/zinc/43/52/07/556435207.db2.gz KRFLUXGLGRJIBZ-UHFFFAOYSA-N 0 0 439.468 3.915 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1Cl ZINC000013010601 556435713 /nfs/dbraw/zinc/43/57/13/556435713.db2.gz CTPWSANKOWUOLL-UHFFFAOYSA-N 0 0 430.873 3.722 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)N1CCC(Cc3ccccc3)CC1)C[C@H](C)S2 ZINC000011026301 556435869 /nfs/dbraw/zinc/43/58/69/556435869.db2.gz QPWGUFLOLLMMHL-INIZCTEOSA-N 0 0 443.638 3.873 50 0 IHAARN C[C@@H]1Cc2cc(C(=O)COc3ccc(Br)cc3F)ccc2N1S(C)(=O)=O ZINC000013016025 556437719 /nfs/dbraw/zinc/43/77/19/556437719.db2.gz BFZFTKKGBFTUMG-LLVKDONJSA-N 0 0 442.306 3.561 50 0 IHAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2cccs2)CC1 ZINC000027999436 556441263 /nfs/dbraw/zinc/44/12/63/556441263.db2.gz IDMYIAGPLVCGSK-UHFFFAOYSA-N 0 0 431.558 3.810 50 0 IHAARN Cn1c(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)nnc1C1CC1 ZINC000013028529 556441684 /nfs/dbraw/zinc/44/16/84/556441684.db2.gz YFGAGDYQGDSDBC-UHFFFAOYSA-N 0 0 442.566 3.851 50 0 IHAARN C[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032957538 556443517 /nfs/dbraw/zinc/44/35/17/556443517.db2.gz FZYYASNTSUFXQV-KRWDZBQOSA-N 0 0 432.476 3.794 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 ZINC000032859536 556445809 /nfs/dbraw/zinc/44/58/09/556445809.db2.gz CDPIBTPOIFRGLP-MZNJEOGPSA-N 0 0 437.565 3.847 50 0 IHAARN Cc1cc(NC(=O)CN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)no1 ZINC000032860111 556446605 /nfs/dbraw/zinc/44/66/05/556446605.db2.gz XQFWXRSNUWHKJE-UHFFFAOYSA-N 0 0 427.508 3.959 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)no1 ZINC000014802669 556446981 /nfs/dbraw/zinc/44/69/81/556446981.db2.gz SXFZZIQCLNRIQI-UHFFFAOYSA-N 0 0 426.860 3.990 50 0 IHAARN CC(C)OC(=O)C[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccccc1Cl ZINC000014806773 556447092 /nfs/dbraw/zinc/44/70/92/556447092.db2.gz TYFCULWWJIYBIY-SFHVURJKSA-N 0 0 443.931 3.583 50 0 IHAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 ZINC000013042095 556448202 /nfs/dbraw/zinc/44/82/02/556448202.db2.gz RYTBLXMMGSNEBY-IRXDYDNUSA-N 0 0 442.487 3.790 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cc1ccccc1 ZINC000014817494 556448263 /nfs/dbraw/zinc/44/82/63/556448263.db2.gz DBSRKWKRFPOHLO-UHFFFAOYSA-N 0 0 436.533 3.551 50 0 IHAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013057304 556449141 /nfs/dbraw/zinc/44/91/41/556449141.db2.gz PUZQPOXDKXTEBP-UHFFFAOYSA-N 0 0 441.475 3.808 50 0 IHAARN COC[C@H](C)NC(=S)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000013057972 556449556 /nfs/dbraw/zinc/44/95/56/556449556.db2.gz USQITYHTFRBVAH-HNAYVOBHSA-N 0 0 427.570 3.816 50 0 IHAARN Cc1cc(Br)ccc1SCC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000032868978 556449850 /nfs/dbraw/zinc/44/98/50/556449850.db2.gz QNTFOLSKCSMKKP-UHFFFAOYSA-N 0 0 431.359 3.806 50 0 IHAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1CCC(C)C ZINC000013059514 556450082 /nfs/dbraw/zinc/45/00/82/556450082.db2.gz OPFJKHGIXYQWMI-LJQANCHMSA-N 0 0 439.478 3.951 50 0 IHAARN COc1ccc(OCC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000013060209 556450435 /nfs/dbraw/zinc/45/04/35/556450435.db2.gz ZCUDIXBHGCBAED-PDGQHHTCSA-N 0 0 446.912 3.580 50 0 IHAARN CCN1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)CC1 ZINC000014879496 556452814 /nfs/dbraw/zinc/45/28/14/556452814.db2.gz UPDLIHWVKYILBN-UHFFFAOYSA-N 0 0 442.523 3.731 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1C ZINC000013069368 556452833 /nfs/dbraw/zinc/45/28/33/556452833.db2.gz JZXVFWGRHKJCQD-MRXNPFEDSA-N 0 0 449.573 3.522 50 0 IHAARN COc1ccccc1-c1nn(CN(C)CC(=O)Nc2ccc(Cl)cc2)c(=S)n1C ZINC000013070160 556453266 /nfs/dbraw/zinc/45/32/66/556453266.db2.gz IJSDUIYKZDFBSQ-UHFFFAOYSA-N 0 0 431.949 3.808 50 0 IHAARN COc1ccc(CCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1OC ZINC000014881074 556453567 /nfs/dbraw/zinc/45/35/67/556453567.db2.gz JSHPBPUICOPGKG-IBGZPJMESA-N 0 0 436.483 3.957 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013074679 556455025 /nfs/dbraw/zinc/45/50/25/556455025.db2.gz ZCKPFXHFGCDUOX-HDDXYUSQSA-N 0 0 448.947 3.551 50 0 IHAARN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCCC1 ZINC000072275356 556456029 /nfs/dbraw/zinc/45/60/29/556456029.db2.gz PYWVOSAMETYSPE-LJQANCHMSA-N 0 0 447.580 3.513 50 0 IHAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)c1ccc(F)c(F)c1 ZINC000014901876 556456878 /nfs/dbraw/zinc/45/68/78/556456878.db2.gz MBVCNJNNLCJARQ-AWEZNQCLSA-N 0 0 447.459 3.601 50 0 IHAARN CCOC(=O)c1c(C)oc2ncn(Cc3csc(COc4ccc(F)cc4)n3)c(=O)c21 ZINC000014902966 556457232 /nfs/dbraw/zinc/45/72/32/556457232.db2.gz OKJFXGXSWXXOTB-UHFFFAOYSA-N 0 0 443.456 3.698 50 0 IHAARN C[C@@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013097480 556458365 /nfs/dbraw/zinc/45/83/65/556458365.db2.gz YXRHBPUTSUELOS-QLFBSQMISA-N 0 0 426.966 3.733 50 0 IHAARN CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000014947823 556459959 /nfs/dbraw/zinc/45/99/59/556459959.db2.gz FUFJFLPYGLNIQS-RUZDIDTESA-N 0 0 427.548 3.703 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2cccnc21 ZINC000013108463 556462255 /nfs/dbraw/zinc/46/22/55/556462255.db2.gz JMTKIIUQKOMUNF-UHFFFAOYSA-N 0 0 425.510 3.670 50 0 IHAARN CC(C)CN(C)C(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014960734 556463813 /nfs/dbraw/zinc/46/38/13/556463813.db2.gz VACPHFOLVRYNNS-FQEVSTJZSA-N 0 0 445.604 3.598 50 0 IHAARN CC(C)(C)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000013110074 556464222 /nfs/dbraw/zinc/46/42/22/556464222.db2.gz RJIXGWHSDSDUEA-UHFFFAOYSA-N 0 0 431.348 3.694 50 0 IHAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000013110173 556464272 /nfs/dbraw/zinc/46/42/72/556464272.db2.gz MAUMCEHGJVSUOM-UHFFFAOYSA-N 0 0 428.554 3.704 50 0 IHAARN COC(=O)c1cn(CC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c2ccccc12 ZINC000028947486 556464911 /nfs/dbraw/zinc/46/49/11/556464911.db2.gz LBGPQFNNMCKSFY-OAQYLSRUSA-N 0 0 436.899 3.721 50 0 IHAARN Cc1c(C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000029012936 556465637 /nfs/dbraw/zinc/46/56/37/556465637.db2.gz VCXIKOCFMDDBBQ-AWEZNQCLSA-N 0 0 446.429 3.971 50 0 IHAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc21)C(=O)NC(N)=O ZINC000013112771 556465841 /nfs/dbraw/zinc/46/58/41/556465841.db2.gz QFNVERBZRJPKTP-SNVBAGLBSA-N 0 0 431.315 3.735 50 0 IHAARN Cc1nc(C2(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)CCCCC2)no1 ZINC000029058440 556466225 /nfs/dbraw/zinc/46/62/25/556466225.db2.gz HSEOVSICEQVHHQ-UHFFFAOYSA-N 0 0 430.936 3.859 50 0 IHAARN Cc1nc(C2(NC(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)CCCCC2)no1 ZINC000029059039 556466252 /nfs/dbraw/zinc/46/62/52/556466252.db2.gz NUNGJAIXKGROHU-UHFFFAOYSA-N 0 0 428.577 3.766 50 0 IHAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000013113399 556466497 /nfs/dbraw/zinc/46/64/97/556466497.db2.gz JPFCXYKTIZDQKH-RBZFPXEDSA-N 0 0 441.450 3.933 50 0 IHAARN CN(CC(=O)NCc1ccco1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000029079756 556467174 /nfs/dbraw/zinc/46/71/74/556467174.db2.gz CEJPPFLSJMRDJS-UHFFFAOYSA-N 0 0 440.809 3.526 50 0 IHAARN C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2N1S(C)(=O)=O ZINC000013114765 556467255 /nfs/dbraw/zinc/46/72/55/556467255.db2.gz AYPQBYGQMIMGFM-AWEZNQCLSA-N 0 0 428.510 3.691 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccc2c(c1)CCCC2 ZINC000013115028 556467552 /nfs/dbraw/zinc/46/75/52/556467552.db2.gz YYAAARMUYMWFFP-CQSZACIVSA-N 0 0 425.533 3.646 50 0 IHAARN CCOc1cc2c(cc1NC(=O)Cn1c(=S)[nH]nc1-c1ccc(OC)cc1)O[C@H](C)C2 ZINC000029129553 556468135 /nfs/dbraw/zinc/46/81/35/556468135.db2.gz HPUZGIPKNMHLJT-CYBMUJFWSA-N 0 0 440.525 3.977 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000014977965 556469637 /nfs/dbraw/zinc/46/96/37/556469637.db2.gz XLDIOEMRXLGTBV-GBXCKJPGSA-N 0 0 426.582 3.927 50 0 IHAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000014977959 556469639 /nfs/dbraw/zinc/46/96/39/556469639.db2.gz XLDIOEMRXLGTBV-HYBUGGRVSA-N 0 0 426.582 3.927 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013117654 556470446 /nfs/dbraw/zinc/47/04/46/556470446.db2.gz QVHAETYFSSPCKR-UHFFFAOYSA-N 0 0 442.516 3.613 50 0 IHAARN COc1cc(OC)cc([C@@H](NC(=O)NCCc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000029317230 556472288 /nfs/dbraw/zinc/47/22/88/556472288.db2.gz IMFKPFFKEOPWHC-HXUWFJFHSA-N 0 0 428.920 3.722 50 0 IHAARN C[C@@H]1c2cccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2O[C@H]1C ZINC000013121122 556473890 /nfs/dbraw/zinc/47/38/90/556473890.db2.gz FLWMYHCINQHSPV-HOTGVXAUSA-N 0 0 427.932 3.621 50 0 IHAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H]1C ZINC000013126924 556475535 /nfs/dbraw/zinc/47/55/35/556475535.db2.gz OHFOYVMLLSKEPX-VVLHAWIVSA-N 0 0 444.553 3.621 50 0 IHAARN O=C([C@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCOCC1 ZINC000013128180 556477439 /nfs/dbraw/zinc/47/74/39/556477439.db2.gz JBHYRMAJPXLAQO-GOSISDBHSA-N 0 0 444.557 3.982 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1 ZINC000029635454 556479452 /nfs/dbraw/zinc/47/94/52/556479452.db2.gz 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CN(C)S(=O)(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1Cl ZINC000013134470 556482382 /nfs/dbraw/zinc/48/23/82/556482382.db2.gz YUZQWWWKDODHFK-UHFFFAOYSA-N 0 0 437.732 3.915 50 0 IHAARN COc1ccc(-c2nnc(SCCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC ZINC000029868656 556484898 /nfs/dbraw/zinc/48/48/98/556484898.db2.gz OWFGHADPKZJMNU-UHFFFAOYSA-N 0 0 440.930 3.973 50 0 IHAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000015015794 556485184 /nfs/dbraw/zinc/48/51/84/556485184.db2.gz AJJMFTLTBNQRAY-SFHVURJKSA-N 0 0 447.354 3.994 50 0 IHAARN CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013138288 556485380 /nfs/dbraw/zinc/48/53/80/556485380.db2.gz YEMRSMKGAGDYJI-UHFFFAOYSA-N 0 0 436.961 3.666 50 0 IHAARN O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029893973 556485824 /nfs/dbraw/zinc/48/58/24/556485824.db2.gz KHWNWAGWFOOANM-UHFFFAOYSA-N 0 0 433.533 3.920 50 0 IHAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000013141073 556486350 /nfs/dbraw/zinc/48/63/50/556486350.db2.gz AXGDLTPWQDALRK-UHFFFAOYSA-N 0 0 441.532 3.655 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 ZINC000013141129 556486361 /nfs/dbraw/zinc/48/63/61/556486361.db2.gz DJDVMLDLDASUTC-UHFFFAOYSA-N 0 0 443.550 3.856 50 0 IHAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000029936302 556487044 /nfs/dbraw/zinc/48/70/44/556487044.db2.gz FCHICWZGJCTRLT-OAQYLSRUSA-N 0 0 441.484 3.686 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)nc1C ZINC000013147898 556489072 /nfs/dbraw/zinc/48/90/72/556489072.db2.gz QLBXGTASFVWELL-UHFFFAOYSA-N 0 0 434.477 3.580 50 0 IHAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000030019392 556489586 /nfs/dbraw/zinc/48/95/86/556489586.db2.gz JTRBQVPKDDQQQG-UHFFFAOYSA-N 0 0 442.515 3.647 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCCn1cccn1)c1ccc(Cl)cc1Cl ZINC000030169744 556490888 /nfs/dbraw/zinc/49/08/88/556490888.db2.gz WRYAYAFPFYELBX-HXUWFJFHSA-N 0 0 445.350 3.738 50 0 IHAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000030174341 556491049 /nfs/dbraw/zinc/49/10/49/556491049.db2.gz DPRZVBIJBIDTGW-GOSISDBHSA-N 0 0 437.525 3.672 50 0 IHAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccc3SC)C2)CC1 ZINC000015064889 556492141 /nfs/dbraw/zinc/49/21/41/556492141.db2.gz RBTJDKFDMKMRGQ-IBGZPJMESA-N 0 0 425.598 3.844 50 0 IHAARN C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000030346743 556493310 /nfs/dbraw/zinc/49/33/10/556493310.db2.gz MAXCGLYJCQQCMP-RXVVDRJESA-N 0 0 437.569 3.562 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000013163494 556493766 /nfs/dbraw/zinc/49/37/66/556493766.db2.gz LPSKXJBTKGJUTQ-QHCPKHFHSA-N 0 0 444.553 3.650 50 0 IHAARN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000030477865 556495195 /nfs/dbraw/zinc/49/51/95/556495195.db2.gz PRJUWNUTECUHJX-CYBMUJFWSA-N 0 0 446.516 3.971 50 0 IHAARN COC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 ZINC000030513914 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50 0 IHAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000030704731 556502355 /nfs/dbraw/zinc/50/23/55/556502355.db2.gz GZBZVQFGZGWRTM-FQEVSTJZSA-N 0 0 441.478 3.742 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1F ZINC000015095894 556503564 /nfs/dbraw/zinc/50/35/64/556503564.db2.gz BPSLNVDKIFFCAI-ZDUSSCGKSA-N 0 0 433.281 3.767 50 0 IHAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000032879771 556505561 /nfs/dbraw/zinc/50/55/61/556505561.db2.gz FSAAPXPEECJGMX-UHFFFAOYSA-N 0 0 445.523 3.718 50 0 IHAARN COc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)c(OC)c1 ZINC000013465498 556507103 /nfs/dbraw/zinc/50/71/03/556507103.db2.gz QXBMLSHVQSJXGR-UHFFFAOYSA-N 0 0 429.542 3.541 50 0 IHAARN CCOc1cc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)ccc1OC(F)F ZINC000015180388 556508099 /nfs/dbraw/zinc/50/80/99/556508099.db2.gz ZVFRRRRLNKCCPO-UHFFFAOYSA-N 0 0 443.450 3.657 50 0 IHAARN CCOCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCOCC ZINC000013511769 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IHAARN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015336995 556521930 /nfs/dbraw/zinc/52/19/30/556521930.db2.gz UGSUTIIIVDZQFY-UHFFFAOYSA-N 0 0 427.353 3.711 50 0 IHAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000072296885 556522553 /nfs/dbraw/zinc/52/25/53/556522553.db2.gz FKLAVGFDIJYNJZ-UFYCRDLUSA-N 0 0 447.576 3.747 50 0 IHAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc(C(C)C)n1 ZINC000015357387 556522955 /nfs/dbraw/zinc/52/29/55/556522955.db2.gz ZNRXYKLQXNPDNQ-UHFFFAOYSA-N 0 0 429.373 3.726 50 0 IHAARN C[NH+](C)[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000015372432 556523646 /nfs/dbraw/zinc/52/36/46/556523646.db2.gz MVDXAXHEAVPINB-LJQANCHMSA-N 0 0 429.567 3.582 50 0 IHAARN Cc1ccc(/C=C/S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)cc1 ZINC000072301057 556524209 /nfs/dbraw/zinc/52/42/09/556524209.db2.gz COZJFBRVNDRYHP-MDZDMXLPSA-N 0 0 444.525 3.763 50 0 IHAARN CC(C)CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cs1 ZINC000060104125 556528172 /nfs/dbraw/zinc/52/81/72/556528172.db2.gz HSFWLAODUAAHDC-QAPCUYQASA-N 0 0 436.599 3.675 50 0 IHAARN CC(C)CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000060104116 556528261 /nfs/dbraw/zinc/52/82/61/556528261.db2.gz HSFWLAODUAAHDC-MAUKXSAKSA-N 0 0 436.599 3.675 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4ccc(C)cc4C)SC3)ccc21 ZINC000015453590 556528887 /nfs/dbraw/zinc/52/88/87/556528887.db2.gz HTSFKIVDZHPSLC-UHFFFAOYSA-N 0 0 428.583 3.935 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000032900279 556528910 /nfs/dbraw/zinc/52/89/10/556528910.db2.gz UGXKWLMFRZNKRP-UHFFFAOYSA-N 0 0 443.979 3.565 50 0 IHAARN CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000013591325 556529442 /nfs/dbraw/zinc/52/94/42/556529442.db2.gz FECNAZVOXUPXNG-QFIPXVFZSA-N 0 0 435.524 3.973 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(Br)cc1F ZINC000011082736 556531595 /nfs/dbraw/zinc/53/15/95/556531595.db2.gz NAUKZQKWMRAYDR-UHFFFAOYSA-N 0 0 432.293 3.870 50 0 IHAARN O=C1c2ccccc2N[C@@H](c2cc3c(c(Br)c2)OCO3)N1C[C@@H]1CCCO1 ZINC000015503794 556531642 /nfs/dbraw/zinc/53/16/42/556531642.db2.gz BOHMAYFVEBJQKT-ORAYPTAESA-N 0 0 431.286 3.923 50 0 IHAARN COc1ccc(-c2cc(NC(=O)c3cnc4n(c3=O)CCS4)ccc2OC(F)F)cc1 ZINC000015536666 556533525 /nfs/dbraw/zinc/53/35/25/556533525.db2.gz USBZEEJYUISFCW-UHFFFAOYSA-N 0 0 445.447 3.878 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000013616093 556535351 /nfs/dbraw/zinc/53/53/51/556535351.db2.gz VIFFUYWQLKQEFA-TXKCWOHGSA-N 0 0 429.472 3.655 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 ZINC000032901068 556535548 /nfs/dbraw/zinc/53/55/48/556535548.db2.gz HRYCNVXRYNNPBD-LJQANCHMSA-N 0 0 446.338 3.645 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015584426 556535851 /nfs/dbraw/zinc/53/58/51/556535851.db2.gz SDGVETILZDMCFJ-FQEVSTJZSA-N 0 0 434.945 3.847 50 0 IHAARN CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)c1N ZINC000013624496 556536474 /nfs/dbraw/zinc/53/64/74/556536474.db2.gz VDRZDQASVSTYBF-UHFFFAOYSA-N 0 0 448.380 3.807 50 0 IHAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000015595274 556536457 /nfs/dbraw/zinc/53/64/57/556536457.db2.gz BJOHTAANYOELSJ-ZDUSSCGKSA-N 0 0 425.348 3.533 50 0 IHAARN CCCn1c2ccccc2n(CCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1=O ZINC000032901626 556536652 /nfs/dbraw/zinc/53/66/52/556536652.db2.gz AOXGCRSKOUULTB-IBGZPJMESA-N 0 0 437.540 3.984 50 0 IHAARN COc1ccc(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c(OC)c1 ZINC000013625494 556537013 /nfs/dbraw/zinc/53/70/13/556537013.db2.gz IITCNOCTWKRFLU-IBGZPJMESA-N 0 0 443.525 3.593 50 0 IHAARN C[C@@H](OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 ZINC000032901668 556537189 /nfs/dbraw/zinc/53/71/89/556537189.db2.gz JEFHCAJZXTWUHG-MEBBXXQBSA-N 0 0 430.873 3.892 50 0 IHAARN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032719637 556537923 /nfs/dbraw/zinc/53/79/23/556537923.db2.gz VAISXFYCDSUWCG-UHFFFAOYSA-N 0 0 448.504 3.756 50 0 IHAARN CNC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000032903300 556539362 /nfs/dbraw/zinc/53/93/62/556539362.db2.gz CCTBAVBKLZJQTJ-XOQVKLMPSA-N 0 0 426.561 3.734 50 0 IHAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)o1 ZINC000013641036 556542159 /nfs/dbraw/zinc/54/21/59/556542159.db2.gz UKYZRFUOFPTTDA-UHFFFAOYSA-N 0 0 436.516 3.940 50 0 IHAARN CCc1nc2sc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)c(C)c2c(C)n1 ZINC000032903170 556542726 /nfs/dbraw/zinc/54/27/26/556542726.db2.gz VALUKBMXSUHTOA-UHFFFAOYSA-N 0 0 434.447 3.862 50 0 IHAARN Cc1cc(F)ccc1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000032904920 556544987 /nfs/dbraw/zinc/54/49/87/556544987.db2.gz ZXUNUSCVOMQHKW-HXUWFJFHSA-N 0 0 448.560 3.603 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)[C@H]3CCCc4ccccc43)C2)s1 ZINC000032903922 556545685 /nfs/dbraw/zinc/54/56/85/556545685.db2.gz BBHCYZCFJYEUFN-QUCCMNQESA-N 0 0 432.611 3.993 50 0 IHAARN C[C@@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000032721578 556547165 /nfs/dbraw/zinc/54/71/65/556547165.db2.gz WHDJQPKNFWVBCB-OAHLLOKOSA-N 0 0 434.945 3.602 50 0 IHAARN Cn1ccnc1C(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032721733 556547260 /nfs/dbraw/zinc/54/72/60/556547260.db2.gz JYUPOYBHQUNMLL-UHFFFAOYSA-N 0 0 448.567 3.702 50 0 IHAARN CC1(C)NC(=O)N(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)C1=O ZINC000032722047 556547436 /nfs/dbraw/zinc/54/74/36/556547436.db2.gz ZAUFDZQRPUKHNI-UHFFFAOYSA-N 0 0 448.306 3.883 50 0 IHAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032903975 556547460 /nfs/dbraw/zinc/54/74/60/556547460.db2.gz PDPOPCLDQMGADF-UHFFFAOYSA-N 0 0 441.890 3.920 50 0 IHAARN Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000032905503 556548779 /nfs/dbraw/zinc/54/87/79/556548779.db2.gz NAUJYUSHQPGMGN-UHFFFAOYSA-N 0 0 428.897 3.779 50 0 IHAARN Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1NC(=O)NCC(C)(C)C[C@H](C)O ZINC000072304718 556549134 /nfs/dbraw/zinc/54/91/34/556549134.db2.gz RUXHQGARJRMQIH-SJORKVTESA-N 0 0 436.597 3.832 50 0 IHAARN O=C(c1ccccc1F)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000032906105 556551870 /nfs/dbraw/zinc/55/18/70/556551870.db2.gz SBULAZNRYKPTHM-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C(C)C)cc2)cc1 ZINC000015822863 556553997 /nfs/dbraw/zinc/55/39/97/556553997.db2.gz SURWLKANIUAWQR-NRFANRHFSA-N 0 0 430.570 3.609 50 0 IHAARN Cc1cccc(C)c1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000015823192 556554224 /nfs/dbraw/zinc/55/42/24/556554224.db2.gz CIQUIMJUQRIYKO-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(Cc4ccccc4)nn32)cc1Cl ZINC000015882056 556560951 /nfs/dbraw/zinc/56/09/51/556560951.db2.gz WJHLEKHEIQSBBI-UHFFFAOYSA-N 0 0 440.916 3.508 50 0 IHAARN Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2=O)cc1 ZINC000015882066 556561271 /nfs/dbraw/zinc/56/12/71/556561271.db2.gz FFHFOWOWKIVBAR-UHFFFAOYSA-N 0 0 448.552 3.978 50 0 IHAARN Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cc1Cl ZINC000032907113 556561362 /nfs/dbraw/zinc/56/13/62/556561362.db2.gz RJYNYUFMPDERDY-UHFFFAOYSA-N 0 0 443.912 3.793 50 0 IHAARN O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032907973 556563908 /nfs/dbraw/zinc/56/39/08/556563908.db2.gz AABHVWNSXAZVKQ-MCADVSAISA-N 0 0 432.568 3.696 50 0 IHAARN Cc1sc2nc([C@H](C)N3CCn4c(CCc5ccccc5)nnc4C3)[nH]c(=O)c2c1C ZINC000072308576 556565297 /nfs/dbraw/zinc/56/52/97/556565297.db2.gz QISIQXKOCCYDML-HNNXBMFYSA-N 0 0 434.569 3.555 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br ZINC000015950317 556568862 /nfs/dbraw/zinc/56/88/62/556568862.db2.gz NPYGWVLZUVIWEG-UHFFFAOYSA-N 0 0 439.331 3.997 50 0 IHAARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@H](C)CCC[C@@H]2C)c1 ZINC000015982339 556570867 /nfs/dbraw/zinc/57/08/67/556570867.db2.gz WQNVDSSCSKTUNE-CALCHBBNSA-N 0 0 432.542 3.761 50 0 IHAARN CSCC[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000015990747 556571826 /nfs/dbraw/zinc/57/18/26/556571826.db2.gz CLZDRZIXVWAGAL-LJQANCHMSA-N 0 0 446.956 3.595 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015998958 556572114 /nfs/dbraw/zinc/57/21/14/556572114.db2.gz ACYAAMZDIOLPGK-IYWMVGAKSA-N 0 0 437.293 3.554 50 0 IHAARN CCOc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001198621 556574375 /nfs/dbraw/zinc/57/43/75/556574375.db2.gz YBKCEUABWMRSDW-UHFFFAOYSA-N 0 0 438.549 3.957 50 0 IHAARN O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O ZINC000004581041 556574454 /nfs/dbraw/zinc/57/44/54/556574454.db2.gz CMIWKMVPBRZSGS-FQEVSTJZSA-N 0 0 425.451 3.516 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033627 556577115 /nfs/dbraw/zinc/57/71/15/556577115.db2.gz IOPQGWWDHDCOJZ-IYWMVGAKSA-N 0 0 426.394 3.810 50 0 IHAARN COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000016037901 556577670 /nfs/dbraw/zinc/57/76/70/556577670.db2.gz FHYAABJNXLNRNY-UPVQGACJSA-N 0 0 439.471 3.680 50 0 IHAARN COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCCCC1 ZINC000016043713 556578323 /nfs/dbraw/zinc/57/83/23/556578323.db2.gz WWSFAAMBUWCPIL-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000016088196 556582229 /nfs/dbraw/zinc/58/22/29/556582229.db2.gz OMPFHMWZRHPMEL-OAHLLOKOSA-N 0 0 445.566 3.832 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2)cc1 ZINC000032911547 556584863 /nfs/dbraw/zinc/58/48/63/556584863.db2.gz LAKKLWPQABCYKN-JOCHJYFZSA-N 0 0 429.586 3.903 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000034872094 556585034 /nfs/dbraw/zinc/58/50/34/556585034.db2.gz SPKUQJMVPBZLSA-MDOVXXIYSA-N 0 0 428.579 3.849 50 0 IHAARN CCCCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)on1 ZINC000072311494 556585506 /nfs/dbraw/zinc/58/55/06/556585506.db2.gz FKDZMUKMWSOOPL-UHFFFAOYSA-N 0 0 449.554 3.921 50 0 IHAARN CCCCNC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034906050 556586349 /nfs/dbraw/zinc/58/63/49/556586349.db2.gz JLSSHCGVPUIUMM-ZWKOTPCHSA-N 0 0 430.574 3.862 50 0 IHAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000032966514 556587394 /nfs/dbraw/zinc/58/73/94/556587394.db2.gz XSWHJSXIRAWQPM-HXUWFJFHSA-N 0 0 432.611 3.684 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000032972150 556590035 /nfs/dbraw/zinc/59/00/35/556590035.db2.gz QQSFNXROMSSKQR-NRFANRHFSA-N 0 0 442.537 3.880 50 0 IHAARN COc1ccc(C(=O)Oc2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000016216378 556591974 /nfs/dbraw/zinc/59/19/74/556591974.db2.gz ZDDOWWZNDMUCIP-SFHVURJKSA-N 0 0 430.460 3.906 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 ZINC000032913299 556592278 /nfs/dbraw/zinc/59/22/78/556592278.db2.gz VARDXZIPDLKIBZ-DNVCBOLYSA-N 0 0 445.354 3.639 50 0 IHAARN O=C(N/C(=C\c1ccco1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000016225633 556592324 /nfs/dbraw/zinc/59/23/24/556592324.db2.gz YTUIVNQDECCXBB-MNWWFBHDSA-N 0 0 441.531 3.908 50 0 IHAARN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000016227494 556593142 /nfs/dbraw/zinc/59/31/42/556593142.db2.gz YGFQVUQDVONXIK-UHFFFAOYSA-N 0 0 432.542 3.666 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016248401 556594182 /nfs/dbraw/zinc/59/41/82/556594182.db2.gz XARRATVVYTXZML-UHFFFAOYSA-N 0 0 439.581 3.954 50 0 IHAARN COC(=O)c1ccc(NC(=O)N2CCC(CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000032974475 556595562 /nfs/dbraw/zinc/59/55/62/556595562.db2.gz SNNPVAQDUCSMNU-UHFFFAOYSA-N 0 0 427.476 3.563 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cs1 ZINC000016277249 556596532 /nfs/dbraw/zinc/59/65/32/556596532.db2.gz REFYGBDQXBBHNW-UHFFFAOYSA-N 0 0 438.553 3.508 50 0 IHAARN CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000036377895 556597544 /nfs/dbraw/zinc/59/75/44/556597544.db2.gz HMVFUCVLFRWECD-UHFFFAOYSA-N 0 0 429.897 3.678 50 0 IHAARN COc1ccc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)cc1Br ZINC000016331636 556600773 /nfs/dbraw/zinc/60/07/73/556600773.db2.gz WRUKTPZDBHEMJC-NSHDSACASA-N 0 0 444.376 3.875 50 0 IHAARN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000032983575 556603447 /nfs/dbraw/zinc/60/34/47/556603447.db2.gz FXGWJUSYHUCSNN-UHFFFAOYSA-N 0 0 427.551 3.917 50 0 IHAARN Fc1cc(CSc2nnnn2C[C@@H]2CCCO2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000016411176 556606031 /nfs/dbraw/zinc/60/60/31/556606031.db2.gz PBYGPPFSJVVACV-ICSRJNTNSA-N 0 0 428.489 3.891 50 0 IHAARN COc1ccccc1CNC(=O)CSCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000032987079 556606897 /nfs/dbraw/zinc/60/68/97/556606897.db2.gz YDGGJQYAEGPFOE-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN Cc1ccccc1CNC(=O)CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000032987187 556607267 /nfs/dbraw/zinc/60/72/67/556607267.db2.gz UBNPXJRVOLAUKF-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000032914394 556607525 /nfs/dbraw/zinc/60/75/25/556607525.db2.gz HFOBILICPIEDKB-UHFFFAOYSA-N 0 0 427.476 3.771 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000032994791 556609947 /nfs/dbraw/zinc/60/99/47/556609947.db2.gz CTJSHDKXRRMLQE-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1OC ZINC000038486554 556612798 /nfs/dbraw/zinc/61/27/98/556612798.db2.gz FIBOMSHYERELDA-UHFFFAOYSA-N 0 0 439.468 3.920 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC000032915904 556613234 /nfs/dbraw/zinc/61/32/34/556613234.db2.gz SQFLBOMZHPMQBK-UHFFFAOYSA-N 0 0 425.915 3.732 50 0 IHAARN CCN(CC(=O)NCc1cccs1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000016562929 556615318 /nfs/dbraw/zinc/61/53/18/556615318.db2.gz AZOKSGCURBTYAT-UHFFFAOYSA-N 0 0 438.578 3.851 50 0 IHAARN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1Br ZINC000016562740 556615385 /nfs/dbraw/zinc/61/53/85/556615385.db2.gz CMJAVRABNOGIJO-UHFFFAOYSA-N 0 0 434.725 3.754 50 0 IHAARN CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000016563703 556615645 /nfs/dbraw/zinc/61/56/45/556615645.db2.gz MRZJVXBNXXTGIM-GGAORHGYSA-N 0 0 438.524 3.617 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000005036730 556623591 /nfs/dbraw/zinc/62/35/91/556623591.db2.gz NIOKTJDDSHUKKC-UHFFFAOYSA-N 0 0 425.554 3.860 50 0 IHAARN Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[nH]3)nc2c1 ZINC000039383654 556628434 /nfs/dbraw/zinc/62/84/34/556628434.db2.gz FPENFPJLJHCEKN-UHFFFAOYSA-N 0 0 442.527 3.829 50 0 IHAARN CCn1c(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc2sccc21 ZINC000005085407 556631534 /nfs/dbraw/zinc/63/15/34/556631534.db2.gz QLONNRGCFSVABQ-UHFFFAOYSA-N 0 0 425.554 3.900 50 0 IHAARN COc1cccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016752792 556638158 /nfs/dbraw/zinc/63/81/58/556638158.db2.gz RGHLPBVHCKRLPP-QGZVFWFLSA-N 0 0 431.485 3.718 50 0 IHAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409413435 556640664 /nfs/dbraw/zinc/64/06/64/556640664.db2.gz DIYYNKVBTADWLS-NRFANRHFSA-N 0 0 446.503 3.987 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccccn2)cc3=O)cc1 ZINC000040485187 556644071 /nfs/dbraw/zinc/64/40/71/556644071.db2.gz BVVIQDWCKGURPC-UHFFFAOYSA-N 0 0 437.459 3.553 50 0 IHAARN CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000011717084 556644095 /nfs/dbraw/zinc/64/40/95/556644095.db2.gz SGFVDCWDJYGMFV-QGZVFWFLSA-N 0 0 426.513 3.897 50 0 IHAARN Cc1cc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc12 ZINC000016806678 556644452 /nfs/dbraw/zinc/64/44/52/556644452.db2.gz BUVHHDJGSLHPIK-UHFFFAOYSA-N 0 0 444.578 3.735 50 0 IHAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000016842492 556646351 /nfs/dbraw/zinc/64/63/51/556646351.db2.gz OBXBZRCFTHOVJT-NRFANRHFSA-N 0 0 435.446 3.961 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000016876730 556647878 /nfs/dbraw/zinc/64/78/78/556647878.db2.gz RZDOGVIXMLVJOT-UHFFFAOYSA-N 0 0 429.476 3.837 50 0 IHAARN CCCCCN(C(=O)c1sc(C(C)C)nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032924107 556648474 /nfs/dbraw/zinc/64/84/74/556648474.db2.gz NGSKDZVRPOCNSE-UHFFFAOYSA-N 0 0 435.594 3.644 50 0 IHAARN COC(=O)c1ccsc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000016899402 556648479 /nfs/dbraw/zinc/64/84/79/556648479.db2.gz UQTSBOZZJGFHFH-GFCCVEGCSA-N 0 0 430.429 3.995 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cc2)c1C ZINC000032922908 556649031 /nfs/dbraw/zinc/64/90/31/556649031.db2.gz UMXGZPRXYCEPEU-UHFFFAOYSA-N 0 0 432.484 3.508 50 0 IHAARN CS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000016913247 556649117 /nfs/dbraw/zinc/64/91/17/556649117.db2.gz ZOEFEICPFNGAKW-UHFFFAOYSA-N 0 0 436.533 3.734 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1 ZINC000011751415 556650864 /nfs/dbraw/zinc/65/08/64/556650864.db2.gz QAUBZTQSLXIPOG-UHFFFAOYSA-N 0 0 437.521 3.867 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)cc1 ZINC000011751588 556650945 /nfs/dbraw/zinc/65/09/45/556650945.db2.gz RHCPEFPHSYGMGC-LJQANCHMSA-N 0 0 425.510 3.769 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000016962781 556651047 /nfs/dbraw/zinc/65/10/47/556651047.db2.gz TZTNBKUBBHWLTL-GOSISDBHSA-N 0 0 428.554 3.830 50 0 IHAARN CCOCCCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cc(Cl)ccc2C)c1=O ZINC000032999295 556653177 /nfs/dbraw/zinc/65/31/77/556653177.db2.gz COIZDMUEDGQICN-UHFFFAOYSA-N 0 0 444.963 3.699 50 0 IHAARN NC(=O)N[C@H](CC(=O)NCCCSc1ccccc1)c1cccc(Br)c1 ZINC000033000465 556654263 /nfs/dbraw/zinc/65/42/63/556654263.db2.gz TUMXEJGAANPJQP-QGZVFWFLSA-N 0 0 436.375 3.847 50 0 IHAARN CCc1cc2c(nc(S[C@H](C)C(=O)NC3CCCCC3)n(CCCOC)c2=O)s1 ZINC000011773677 556655031 /nfs/dbraw/zinc/65/50/31/556655031.db2.gz ZQWUXBQCSCULQK-CQSZACIVSA-N 0 0 437.631 3.986 50 0 IHAARN CCn1c2ccccc2nc(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O ZINC000033006485 556655612 /nfs/dbraw/zinc/65/56/12/556655612.db2.gz FMBCXOIFIARQHH-UHFFFAOYSA-N 0 0 442.972 3.511 50 0 IHAARN CCOC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)cc1-c1ccc(OC)c(OC)c1 ZINC000017094812 556657899 /nfs/dbraw/zinc/65/78/99/556657899.db2.gz SEFNLKGACRRVQJ-UHFFFAOYSA-N 0 0 426.469 3.815 50 0 IHAARN COc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000033011481 556659289 /nfs/dbraw/zinc/65/92/89/556659289.db2.gz CWBDWQSHVRZEGU-UHFFFAOYSA-N 0 0 448.957 3.861 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CCCC2 ZINC000017097653 556662056 /nfs/dbraw/zinc/66/20/56/556662056.db2.gz SJAROLGABRXEEY-UHFFFAOYSA-N 0 0 431.583 3.638 50 0 IHAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2F)[nH]c(=O)c1C ZINC000011855017 556662063 /nfs/dbraw/zinc/66/20/63/556662063.db2.gz VNOAWJASAXTNON-UHFFFAOYSA-N 0 0 427.436 3.831 50 0 IHAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000011855565 556662088 /nfs/dbraw/zinc/66/20/88/556662088.db2.gz DXLHPPVKXPGHDE-UHFFFAOYSA-N 0 0 449.492 3.789 50 0 IHAARN COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000011858595 556664022 /nfs/dbraw/zinc/66/40/22/556664022.db2.gz YJIGLRBIACZSBU-SNAWJCMRSA-N 0 0 438.505 3.730 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000043726939 556664538 /nfs/dbraw/zinc/66/45/38/556664538.db2.gz QVQWILUXLJHDTC-LRSLUSHPSA-N 0 0 428.419 3.817 50 0 IHAARN CCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(CC)c2)cc(C)c1N1C(=O)C=CC1=O ZINC000043794147 556665235 /nfs/dbraw/zinc/66/52/35/556665235.db2.gz YNSSPVZNXLACMW-UHFFFAOYSA-N 0 0 442.515 3.878 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000044170420 556666533 /nfs/dbraw/zinc/66/65/33/556666533.db2.gz KSCDBBXNJMRZHM-UHFFFAOYSA-N 0 0 444.534 3.540 50 0 IHAARN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3ccc(F)cc3)n2)CC1 ZINC000017148934 556670190 /nfs/dbraw/zinc/67/01/90/556670190.db2.gz BAYMTXRFFLKQBA-UHFFFAOYSA-N 0 0 433.491 3.581 50 0 IHAARN COc1cccc([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000017197886 556672910 /nfs/dbraw/zinc/67/29/10/556672910.db2.gz SXTOFQVIWKMJNX-CMJOXMDJSA-N 0 0 439.537 3.669 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000032932575 556675665 /nfs/dbraw/zinc/67/56/65/556675665.db2.gz UEAXYWORWCSDIQ-QGZVFWFLSA-N 0 0 427.476 3.847 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000100804887 556675698 /nfs/dbraw/zinc/67/56/98/556675698.db2.gz YJXMFLMYMIYCIG-SOLBZPMBSA-N 0 0 425.554 3.915 50 0 IHAARN COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000017355313 556676090 /nfs/dbraw/zinc/67/60/90/556676090.db2.gz NPSCRWGIIAFLPG-FQEVSTJZSA-N 0 0 428.485 3.551 50 0 IHAARN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000017720489 556679038 /nfs/dbraw/zinc/67/90/38/556679038.db2.gz LWLFJFSXWLTJNX-YQMDMEMYSA-N 0 0 435.863 3.691 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2cccc3ccccc32)n1 ZINC000012006420 556680436 /nfs/dbraw/zinc/68/04/36/556680436.db2.gz LXLVVNCHMUNTFC-UHFFFAOYSA-N 0 0 425.448 3.858 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000238881528 556681929 /nfs/dbraw/zinc/68/19/29/556681929.db2.gz ANYNUAYZGOSFKZ-LEHBWIKQSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1 ZINC000226762651 556685334 /nfs/dbraw/zinc/68/53/34/556685334.db2.gz LBJPKDMUEIGHAZ-XMMPIXPASA-N 0 0 437.565 3.664 50 0 IHAARN CC(C)CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 ZINC000072312972 556688389 /nfs/dbraw/zinc/68/83/89/556688389.db2.gz URJDTUQSXWOFLV-UHFFFAOYSA-N 0 0 444.597 3.921 50 0 IHAARN Cc1cc(Nc2ccc(C(=O)NCc3ccco3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791520 556689389 /nfs/dbraw/zinc/68/93/89/556689389.db2.gz SVKYSTVYSNFAQB-UHFFFAOYSA-N 0 0 425.452 3.761 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1F ZINC000046005487 556689623 /nfs/dbraw/zinc/68/96/23/556689623.db2.gz JWDFAYYTICEGKZ-CQSZACIVSA-N 0 0 437.450 3.674 50 0 IHAARN CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 ZINC000046005659 556689921 /nfs/dbraw/zinc/68/99/21/556689921.db2.gz SNRDVNWQBUCPQE-INIZCTEOSA-N 0 0 449.486 3.625 50 0 IHAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NN=C(C#N)C#N)c2cc1OC ZINC000001020635 556690223 /nfs/dbraw/zinc/69/02/23/556690223.db2.gz AOPWHVYYLPQNFS-UHFFFAOYSA-N 0 0 431.452 3.675 50 0 IHAARN O=c1c2ccc(OCCN3CCOCC3)cc2occ1-c1ccc(Br)cc1 ZINC000013608717 556702630 /nfs/dbraw/zinc/70/26/30/556702630.db2.gz VYCKJZNQJRRPIR-UHFFFAOYSA-N 0 0 430.298 3.934 50 0 IHAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027913 556708055 /nfs/dbraw/zinc/70/80/55/556708055.db2.gz WAUDTGRWJDOPBR-UHFFFAOYSA-N 0 0 428.901 3.915 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1OC ZINC000013696196 556712019 /nfs/dbraw/zinc/71/20/19/556712019.db2.gz JRWXHDKJVSJQOJ-UHFFFAOYSA-N 0 0 444.534 3.769 50 0 IHAARN CCCCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)cnc1S(=O)(=O)CC ZINC000019218086 556713101 /nfs/dbraw/zinc/71/31/01/556713101.db2.gz DZUDDHPBJSEXCI-UHFFFAOYSA-N 0 0 439.025 3.761 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(C)cc3)nn2)cc1OC ZINC000013701645 556713544 /nfs/dbraw/zinc/71/35/44/556713544.db2.gz BQWLVBVGLGNCMH-UHFFFAOYSA-N 0 0 438.509 3.785 50 0 IHAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1F ZINC000072328326 556725148 /nfs/dbraw/zinc/72/51/48/556725148.db2.gz KCFCQNRZCWONFB-UHFFFAOYSA-N 0 0 430.277 3.518 50 0 IHAARN COCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 ZINC000061720936 556727504 /nfs/dbraw/zinc/72/75/04/556727504.db2.gz BVBIYYUNQSOYAR-FQEVSTJZSA-N 0 0 437.525 3.670 50 0 IHAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1ccccc1Cl ZINC000072330979 556728914 /nfs/dbraw/zinc/72/89/14/556728914.db2.gz WWHUKALHDGOUSZ-UHFFFAOYSA-N 0 0 445.640 3.505 50 0 IHAARN Cc1cccc(Nc2nc(N)nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000054147117 556729267 /nfs/dbraw/zinc/72/92/67/556729267.db2.gz JKDZGMAFBVSZKF-UHFFFAOYSA-N 0 0 443.477 3.847 50 0 IHAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3N2)c1 ZINC000000884038 556734263 /nfs/dbraw/zinc/73/42/63/556734263.db2.gz ZXUNBFXBUDOGMM-ROUUACIJSA-N 0 0 431.418 3.877 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(-c3cccc(F)c3)cc2C)CC1 ZINC000078903585 556736376 /nfs/dbraw/zinc/73/63/76/556736376.db2.gz BJNDZHGVRPGVER-UHFFFAOYSA-N 0 0 433.531 3.969 50 0 IHAARN COc1ccccc1CN(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 ZINC000055168656 556736979 /nfs/dbraw/zinc/73/69/79/556736979.db2.gz KQDGAINHKYNESS-UHFFFAOYSA-N 0 0 427.570 3.560 50 0 IHAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)Cc1cccc(Cl)c1 ZINC000055211224 556737659 /nfs/dbraw/zinc/73/76/59/556737659.db2.gz BADOCOJWBSENKZ-HXUWFJFHSA-N 0 0 437.993 3.531 50 0 IHAARN Cc1csc(SCC(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)n1 ZINC000055414906 556741258 /nfs/dbraw/zinc/74/12/58/556741258.db2.gz LAGOIVAGMBPZFW-IBGZPJMESA-N 0 0 430.643 3.665 50 0 IHAARN O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000033047981 556743511 /nfs/dbraw/zinc/74/35/11/556743511.db2.gz RURLKUQEAAVKFH-OAHLLOKOSA-N 0 0 429.767 3.655 50 0 IHAARN O=C(NCCNC(=O)c1ccc(F)c(F)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013854864 556746636 /nfs/dbraw/zinc/74/66/36/556746636.db2.gz OPTUTMGNLXSGPH-UHFFFAOYSA-N 0 0 441.409 3.516 50 0 IHAARN Cn1cc(CCCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c2ccccc21 ZINC000206250906 556749681 /nfs/dbraw/zinc/74/96/81/556749681.db2.gz HOVMURBJIXDEEC-JOCHJYFZSA-N 0 0 430.508 3.696 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(Cc4nonc4C)CC3)ccc21 ZINC000057986880 556750378 /nfs/dbraw/zinc/75/03/78/556750378.db2.gz PUYXNCIFLZCOPG-GOSISDBHSA-N 0 0 446.555 3.651 50 0 IHAARN COC(=O)C1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1 ZINC000058005131 556752711 /nfs/dbraw/zinc/75/27/11/556752711.db2.gz CBQHOOFXHNFAFH-UHFFFAOYSA-N 0 0 433.858 3.572 50 0 IHAARN CCN(CC)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000058005776 556752731 /nfs/dbraw/zinc/75/27/31/556752731.db2.gz XAVJZPNTCXRMSM-UHFFFAOYSA-N 0 0 428.512 3.885 50 0 IHAARN CCc1cc2c(COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1O ZINC000011160145 556753195 /nfs/dbraw/zinc/75/31/95/556753195.db2.gz KOXQTIDMEGQSRU-UHFFFAOYSA-N 0 0 438.432 3.539 50 0 IHAARN O=C(CCCn1nnc(-c2ccccc2)n1)Nc1nnc(SCc2ccccc2)s1 ZINC000058016763 556753978 /nfs/dbraw/zinc/75/39/78/556753978.db2.gz LVFPTZMECMKCCQ-UHFFFAOYSA-N 0 0 437.554 3.903 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000019427751 556755642 /nfs/dbraw/zinc/75/56/42/556755642.db2.gz VHNRFKRTWHJZMT-UHFFFAOYSA-N 0 0 428.963 3.568 50 0 IHAARN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000058099378 556757973 /nfs/dbraw/zinc/75/79/73/556757973.db2.gz SOYSQFJFARUSNR-RDTXWAMCSA-N 0 0 428.510 3.710 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000058120324 556759399 /nfs/dbraw/zinc/75/93/99/556759399.db2.gz JJFORHSGJRAXAP-UHFFFAOYSA-N 0 0 444.535 3.708 50 0 IHAARN CSc1sc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)nc1C ZINC000058139573 556760885 /nfs/dbraw/zinc/76/08/85/556760885.db2.gz HMLCVVIIJCHRBJ-HXUWFJFHSA-N 0 0 430.555 3.501 50 0 IHAARN O=C(COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)N1CCc2sccc2C1 ZINC000011169229 556760887 /nfs/dbraw/zinc/76/08/87/556760887.db2.gz DXSXGVMTMHAQEY-UHFFFAOYSA-N 0 0 433.489 3.936 50 0 IHAARN O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000058160651 556764630 /nfs/dbraw/zinc/76/46/30/556764630.db2.gz RHTXPCSPLYVWRV-MRXNPFEDSA-N 0 0 438.509 3.900 50 0 IHAARN CC(C)c1cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c2cnn(C(C)C)c2n1 ZINC000058161230 556765130 /nfs/dbraw/zinc/76/51/30/556765130.db2.gz ROSAHCKTYXCGJJ-UHFFFAOYSA-N 0 0 444.557 3.811 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cccnc3SC(C)C)C2)cc1 ZINC000058203019 556771381 /nfs/dbraw/zinc/77/13/81/556771381.db2.gz LGMJWQNNEWHENK-GOSISDBHSA-N 0 0 447.626 3.721 50 0 IHAARN CCOC(=O)[C@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc21 ZINC000058215816 556772499 /nfs/dbraw/zinc/77/24/99/556772499.db2.gz QBQAPTDFTJFJIS-RUZDIDTESA-N 0 0 445.519 3.799 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3nc(C)c4ccccc4n3)cc2)c1C ZINC000058227647 556773964 /nfs/dbraw/zinc/77/39/64/556773964.db2.gz VTNSAOJWCTWZDG-UHFFFAOYSA-N 0 0 443.507 3.881 50 0 IHAARN O=S(=O)(N[C@H](Cn1cncn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000058231545 556774292 /nfs/dbraw/zinc/77/42/92/556774292.db2.gz NLWALNUWPLSDRU-MRXNPFEDSA-N 0 0 430.839 3.670 50 0 IHAARN COCCN(CC(=O)Nc1cccc(I)c1)[C@@H](C)c1ccccc1 ZINC000058298045 556778390 /nfs/dbraw/zinc/77/83/90/556778390.db2.gz KBRXMBALFHDQCJ-HNNXBMFYSA-N 0 0 438.309 3.939 50 0 IHAARN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3I)c2)n1 ZINC000058319164 556780613 /nfs/dbraw/zinc/78/06/13/556780613.db2.gz NYGYALMYKXSIQH-UHFFFAOYSA-N 0 0 431.233 3.602 50 0 IHAARN O=C(Nc1ccccc1O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000058356424 556782713 /nfs/dbraw/zinc/78/27/13/556782713.db2.gz VPLZPPMOGZMFFB-UHFFFAOYSA-N 0 0 443.569 3.809 50 0 IHAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(-n3nc(C)cc3C)c(F)c1)C[C@@H]2O ZINC000058370689 556783745 /nfs/dbraw/zinc/78/37/45/556783745.db2.gz WPBDDQBVZVVJEX-IBGZPJMESA-N 0 0 440.475 3.727 50 0 IHAARN CS(=O)(=O)N1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000058438195 556788421 /nfs/dbraw/zinc/78/84/21/556788421.db2.gz FXIPBJNSEUVTIH-UHFFFAOYSA-N 0 0 428.583 3.707 50 0 IHAARN Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Br)o3)cn2)cc1 ZINC000058937655 556792980 /nfs/dbraw/zinc/79/29/80/556792980.db2.gz LWSKNTSPHNBIAY-UHFFFAOYSA-N 0 0 430.258 3.906 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000011199778 556799561 /nfs/dbraw/zinc/79/95/61/556799561.db2.gz ZKVIKFNVQPKGRL-UHFFFAOYSA-N 0 0 447.443 3.508 50 0 IHAARN CC(=O)Nc1cccc2c1CCN(c1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)C2 ZINC000059420681 556800207 /nfs/dbraw/zinc/80/02/07/556800207.db2.gz RZMFFGKHDHZFCM-UHFFFAOYSA-N 0 0 430.842 3.685 50 0 IHAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401974 556802000 /nfs/dbraw/zinc/80/20/00/556802000.db2.gz XZEKDILIYOACTD-JTSKRJEESA-N 0 0 444.535 3.655 50 0 IHAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401976 556802068 /nfs/dbraw/zinc/80/20/68/556802068.db2.gz XZEKDILIYOACTD-VGSWGCGISA-N 0 0 444.535 3.655 50 0 IHAARN CC[C@@]1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2)CCC(=O)NC1=O ZINC000059988777 556805824 /nfs/dbraw/zinc/80/58/24/556805824.db2.gz ANNODHLJBDHLCX-DEOSSOPVSA-N 0 0 434.471 3.657 50 0 IHAARN O=C(CN1CCCN(c2nccs2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000060099640 556806636 /nfs/dbraw/zinc/80/66/36/556806636.db2.gz PNVJNCZGBTZBGC-FQEVSTJZSA-N 0 0 430.574 3.762 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)NCCOc1ccccc1-c1ccccc1 ZINC000060127619 556806967 /nfs/dbraw/zinc/80/69/67/556806967.db2.gz NGNLXZBDVHFECE-UHFFFAOYSA-N 0 0 443.297 3.634 50 0 IHAARN Nn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccnc1 ZINC000003272451 556807797 /nfs/dbraw/zinc/80/77/97/556807797.db2.gz LFEZBEACLPZMKQ-UHFFFAOYSA-N 0 0 429.720 3.745 50 0 IHAARN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058846 556807855 /nfs/dbraw/zinc/80/78/55/556807855.db2.gz FQBOZWCNYASWOP-FEAKQIBJSA-N 0 0 449.548 3.608 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000003345609 556813392 /nfs/dbraw/zinc/81/33/92/556813392.db2.gz QHGTVKZGYMEPSQ-UHFFFAOYSA-N 0 0 446.510 3.612 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000033061836 556817307 /nfs/dbraw/zinc/81/73/07/556817307.db2.gz VYRVBGMRZWGIRO-INIZCTEOSA-N 0 0 438.553 3.869 50 0 IHAARN CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)c1ccccc1 ZINC000003594319 556818104 /nfs/dbraw/zinc/81/81/04/556818104.db2.gz SSXKWTSVPRHLOB-NRFANRHFSA-N 0 0 444.329 3.658 50 0 IHAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(S(C)(=O)=O)CC2)cc1 ZINC000005500729 556820094 /nfs/dbraw/zinc/82/00/94/556820094.db2.gz VFYZGVZRHPPMOJ-OAQYLSRUSA-N 0 0 425.554 3.599 50 0 IHAARN CCOc1ccc(-n2ccn3c(CCCC(=O)Nc4cccc(C)c4)nnc3c2=O)cc1 ZINC000064591623 556825402 /nfs/dbraw/zinc/82/54/02/556825402.db2.gz XHHVCUJTRGFNIP-UHFFFAOYSA-N 0 0 431.496 3.549 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)c1nnn(-c2ccccc2F)c1-c1ccncc1 ZINC000206642226 556825931 /nfs/dbraw/zinc/82/59/31/556825931.db2.gz OTKAHGVUUVKKMF-UHFFFAOYSA-N 0 0 431.427 3.897 50 0 IHAARN COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(OC)c1 ZINC000019603361 556830972 /nfs/dbraw/zinc/83/09/72/556830972.db2.gz XAXXKGGYJIMHIR-UHFFFAOYSA-N 0 0 444.484 3.825 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccncc2)cc3=O)cc1 ZINC000065305071 556833164 /nfs/dbraw/zinc/83/31/64/556833164.db2.gz BHPXGTQPOULEGZ-UHFFFAOYSA-N 0 0 437.459 3.553 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1Cl ZINC000065363184 556834889 /nfs/dbraw/zinc/83/48/89/556834889.db2.gz IWVWFVFLVXASIS-UHFFFAOYSA-N 0 0 439.907 3.631 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000019642889 556838124 /nfs/dbraw/zinc/83/81/24/556838124.db2.gz OQIMNOHZDHKBQQ-UHFFFAOYSA-N 0 0 445.368 3.517 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)n1 ZINC000019643869 556838800 /nfs/dbraw/zinc/83/88/00/556838800.db2.gz HISQHEPHTKWADL-UHFFFAOYSA-N 0 0 445.570 3.566 50 0 IHAARN O=S(=O)(Nc1nn(Cc2ccccc2F)cc1Br)c1ccc(F)c(F)c1 ZINC000019644225 556839027 /nfs/dbraw/zinc/83/90/27/556839027.db2.gz TZULFYLKSGICHA-UHFFFAOYSA-N 0 0 446.248 3.912 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000019647440 556840896 /nfs/dbraw/zinc/84/08/96/556840896.db2.gz KOONKKKCSQJXAN-UHFFFAOYSA-N 0 0 448.541 3.985 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)n2C)c(OC)c1 ZINC000019648209 556841078 /nfs/dbraw/zinc/84/10/78/556841078.db2.gz AOUMBQVKSAUTJH-UHFFFAOYSA-N 0 0 448.932 3.892 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(Cc2ccccc2F)n1N)c1cccc2ccccc21 ZINC000008727095 556843842 /nfs/dbraw/zinc/84/38/42/556843842.db2.gz TVFJEYJBBSNKFQ-OAHLLOKOSA-N 0 0 435.528 3.845 50 0 IHAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)nn2)n1 ZINC000067613020 556844202 /nfs/dbraw/zinc/84/42/02/556844202.db2.gz SKCWCGYQGMLVHA-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(Br)o1 ZINC000097674626 556847063 /nfs/dbraw/zinc/84/70/63/556847063.db2.gz ALWRIUBBKGEQOE-UKTHLTGXSA-N 0 0 439.262 3.648 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(Cc3noc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000096870199 556847930 /nfs/dbraw/zinc/84/79/30/556847930.db2.gz VVKMLZRATSDHMK-UHFFFAOYSA-N 0 0 426.904 3.747 50 0 IHAARN CC(C)(C)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000008825016 556849049 /nfs/dbraw/zinc/84/90/49/556849049.db2.gz KZTMBHQAOYLXIU-UHFFFAOYSA-N 0 0 441.908 3.730 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC[C@H](C)C3)cs2)c1 ZINC000008849922 556849959 /nfs/dbraw/zinc/84/99/59/556849959.db2.gz DTDDKMYCEZBHQU-AWEZNQCLSA-N 0 0 446.598 3.633 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cnc(N4CCOCC4)c4ccccc34)CC2)c1C ZINC000033073039 556852584 /nfs/dbraw/zinc/85/25/84/556852584.db2.gz UXWVOCPFYXHWBT-UHFFFAOYSA-N 0 0 430.552 3.651 50 0 IHAARN COc1cc(OC)c(NC(=O)c2cnc(N3CCOCC3)c3ccccc23)cc1Cl ZINC000033072945 556852591 /nfs/dbraw/zinc/85/25/91/556852591.db2.gz QARVLFYLPYIRFO-UHFFFAOYSA-N 0 0 427.888 3.994 50 0 IHAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)cc2)no1 ZINC000033077030 556854366 /nfs/dbraw/zinc/85/43/66/556854366.db2.gz IZXCPDFPQSJIKP-UHFFFAOYSA-N 0 0 438.915 3.867 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3ccc(OC)c(OC)c3)sc2c1 ZINC000033088173 556855927 /nfs/dbraw/zinc/85/59/27/556855927.db2.gz SZKFVJRAHOQLQV-AWEZNQCLSA-N 0 0 436.493 3.982 50 0 IHAARN COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)NC4CCCC4)C3)s2)cc1 ZINC000033113129 556859790 /nfs/dbraw/zinc/85/97/90/556859790.db2.gz JHJPZBJRRHRJLQ-CQSZACIVSA-N 0 0 429.546 3.631 50 0 IHAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c1)NC(=O)CCC2=O ZINC000033123153 556864054 /nfs/dbraw/zinc/86/40/54/556864054.db2.gz WAJSGXOPPGXPGN-UHFFFAOYSA-N 0 0 438.509 3.649 50 0 IHAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3nnnc1N1CCCC1 ZINC000019706485 556864720 /nfs/dbraw/zinc/86/47/20/556864720.db2.gz DIZPRSORGCBLPX-UHFFFAOYSA-N 0 0 442.614 3.639 50 0 IHAARN COc1ccc(-n2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1 ZINC000033128359 556865494 /nfs/dbraw/zinc/86/54/94/556865494.db2.gz GXGMACPIUNRNMW-UHFFFAOYSA-N 0 0 435.427 3.991 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000033125015 556866220 /nfs/dbraw/zinc/86/62/20/556866220.db2.gz CCEZGGUQEHNANY-HNNXBMFYSA-N 0 0 441.459 3.575 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000033124832 556866255 /nfs/dbraw/zinc/86/62/55/556866255.db2.gz CSOQTTFGJGQWEM-NRFANRHFSA-N 0 0 439.487 3.633 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000033125005 556866260 /nfs/dbraw/zinc/86/62/60/556866260.db2.gz LEGQVUXGBGUOFW-CYBMUJFWSA-N 0 0 431.851 3.748 50 0 IHAARN CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(OC)cc1 ZINC000033125477 556866524 /nfs/dbraw/zinc/86/65/24/556866524.db2.gz TWMGDCFHBQWMID-HXUWFJFHSA-N 0 0 441.915 3.677 50 0 IHAARN COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCC3)sc2C)cc1OC ZINC000033129564 556868631 /nfs/dbraw/zinc/86/86/31/556868631.db2.gz WARULUZNPJVGGQ-VQHVLOKHSA-N 0 0 436.555 3.510 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1snc2c1ncn(Cc1ccccc1)c2=O ZINC000033129911 556869585 /nfs/dbraw/zinc/86/95/85/556869585.db2.gz SUZJVUBAHMUHMI-UHFFFAOYSA-N 0 0 428.876 3.624 50 0 IHAARN CCOC(=O)c1c(C)oc2nc(COC(=O)CCSc3ccc(C)cc3)nc(N)c21 ZINC000011228804 556875891 /nfs/dbraw/zinc/87/58/91/556875891.db2.gz AIQYUNOKQSNAPF-UHFFFAOYSA-N 0 0 429.498 3.824 50 0 IHAARN O=C1C[C@@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cccc(Br)c1 ZINC000019733325 556876889 /nfs/dbraw/zinc/87/68/89/556876889.db2.gz JHPCQDNKVLTNKV-GOSISDBHSA-N 0 0 448.748 3.557 50 0 IHAARN COc1cc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc(OC)c1 ZINC000033142004 556877480 /nfs/dbraw/zinc/87/74/80/556877480.db2.gz PCGNZYOPYYIGQI-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2ncnc3c4ccccc4[nH]c32)CC1 ZINC000033172409 556882729 /nfs/dbraw/zinc/88/27/29/556882729.db2.gz AHUPBQDYQNFMKF-UHFFFAOYSA-N 0 0 433.537 3.561 50 0 IHAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000033173819 556883807 /nfs/dbraw/zinc/88/38/07/556883807.db2.gz AIDOUAODLFUDDU-UHFFFAOYSA-N 0 0 445.444 3.673 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cc(C)ccc3OC)CC2)c1=O ZINC000033169653 556884712 /nfs/dbraw/zinc/88/47/12/556884712.db2.gz XNTLVZJQDQQRSM-UHFFFAOYSA-N 0 0 435.528 3.524 50 0 IHAARN CCn1c2ccccc2nc(N2CCC(NC(=O)Nc3cccc(SC)c3)CC2)c1=O ZINC000033169613 556884786 /nfs/dbraw/zinc/88/47/86/556884786.db2.gz HNYNKWIZJWNOKW-UHFFFAOYSA-N 0 0 437.569 3.929 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000004712747 556890269 /nfs/dbraw/zinc/89/02/69/556890269.db2.gz LMZRCSYOVFOYLR-JSRJAPPDSA-N 0 0 428.598 3.909 50 0 IHAARN COc1cccc(CNC(=O)CSCc2nc(-c3ccc(Cl)cc3)no2)c1OC ZINC000033250397 556891239 /nfs/dbraw/zinc/89/12/39/556891239.db2.gz QRQIVAUHEPGVSW-UHFFFAOYSA-N 0 0 433.917 3.957 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)nc1 ZINC000072139998 556899255 /nfs/dbraw/zinc/89/92/55/556899255.db2.gz VFPUVKPXAQYODJ-UHFFFAOYSA-N 0 0 426.883 3.679 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2cccs2)C2CCOCC2)cc1 ZINC000206676770 556912996 /nfs/dbraw/zinc/91/29/96/556912996.db2.gz GWRYFWYEXCSHQP-UHFFFAOYSA-N 0 0 435.611 3.723 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(C(=O)c2cccs2)s1 ZINC000206678818 556913327 /nfs/dbraw/zinc/91/33/27/556913327.db2.gz UVMWJWCHCOWQMF-UHFFFAOYSA-N 0 0 434.926 3.958 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(Cl)c1-c1ccc(F)cc1 ZINC000019790524 556914969 /nfs/dbraw/zinc/91/49/69/556914969.db2.gz HPPZKMCOHGEJBO-UHFFFAOYSA-N 0 0 426.897 3.655 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2C)cc1 ZINC000019810582 556918907 /nfs/dbraw/zinc/91/89/07/556918907.db2.gz SEWADIAHXHUTKH-UHFFFAOYSA-N 0 0 433.331 3.984 50 0 IHAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000019811396 556919049 /nfs/dbraw/zinc/91/90/49/556919049.db2.gz FQUMUROXHFNPAT-FCHUYYIVSA-N 0 0 428.941 3.900 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1OC ZINC000019819302 556922442 /nfs/dbraw/zinc/92/24/42/556922442.db2.gz MTZKUYLOMNXCOY-UHFFFAOYSA-N 0 0 431.492 3.873 50 0 IHAARN COc1ccc(Br)cc1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000019831935 556927016 /nfs/dbraw/zinc/92/70/16/556927016.db2.gz FZYPWPDVNVSTRA-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN CCOC(=O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccccc2)c1 ZINC000019898005 556940873 /nfs/dbraw/zinc/94/08/73/556940873.db2.gz KBXJQIDNYQTMNP-UHFFFAOYSA-N 0 0 429.270 3.808 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000019898784 556941176 /nfs/dbraw/zinc/94/11/76/556941176.db2.gz QZJUZLSKTKHNNM-JOCHJYFZSA-N 0 0 445.475 3.700 50 0 IHAARN CCCCN(CC)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019940191 556953637 /nfs/dbraw/zinc/95/36/37/556953637.db2.gz DGMPHBVESCVDTA-UHFFFAOYSA-N 0 0 426.590 3.976 50 0 IHAARN COc1ccc(-c2c(C)nn3c2ncc2c3ccn(-c3ccc(NC(C)=O)cc3)c2=O)cc1 ZINC000019962624 556955879 /nfs/dbraw/zinc/95/58/79/556955879.db2.gz WKDQICXSUSFTQA-UHFFFAOYSA-N 0 0 439.475 3.976 50 0 IHAARN Cc1cc(OCc2ccc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)o2)ccc1Cl ZINC000020028674 556967635 /nfs/dbraw/zinc/96/76/35/556967635.db2.gz UHVSGXPGCZYIIJ-UHFFFAOYSA-N 0 0 428.920 3.512 50 0 IHAARN O=C(c1ccn(COc2ccccc2)n1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000020028723 556967915 /nfs/dbraw/zinc/96/79/15/556967915.db2.gz OXKBSONFWUBSHL-UHFFFAOYSA-N 0 0 428.895 3.670 50 0 IHAARN COC(=O)c1ccc(Nc2nc3c([nH]c(=S)n3-c3ccc(C(=O)OC)cc3)c(C)n2)cc1 ZINC000020059038 556975504 /nfs/dbraw/zinc/97/55/04/556975504.db2.gz MAYBVIVHDBRMDP-UHFFFAOYSA-N 0 0 449.492 3.729 50 0 IHAARN CCc1cccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccc(C)cc2)c1 ZINC000033265310 556975592 /nfs/dbraw/zinc/97/55/92/556975592.db2.gz QHJXEFJNVILXKI-UHFFFAOYSA-N 0 0 447.564 3.780 50 0 IHAARN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000011234685 556979218 /nfs/dbraw/zinc/97/92/18/556979218.db2.gz PKOMSLGHVLRZJT-HSZRJFAPSA-N 0 0 426.582 3.972 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000020102712 556980732 /nfs/dbraw/zinc/98/07/32/556980732.db2.gz HEBPIMHRHLSAFY-UHFFFAOYSA-N 0 0 425.558 3.701 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(F)c1 ZINC000020103583 556981382 /nfs/dbraw/zinc/98/13/82/556981382.db2.gz IHOHGZPJZCRVBS-OAQYLSRUSA-N 0 0 429.455 3.996 50 0 IHAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000043732548 556982363 /nfs/dbraw/zinc/98/23/63/556982363.db2.gz QCQZDWILBXABDO-BYPCIHSKSA-N 0 0 444.462 3.930 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nonc2-c2ccccc2)ccc1Cl ZINC000097104285 556987658 /nfs/dbraw/zinc/98/76/58/556987658.db2.gz ZZUDSWZOTPRXFD-UHFFFAOYSA-N 0 0 434.905 3.719 50 0 IHAARN CN1c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097123403 556990832 /nfs/dbraw/zinc/99/08/32/556990832.db2.gz KVHMGYLLZOHWAW-LJQANCHMSA-N 0 0 433.430 3.917 50 0 IHAARN NS(=O)(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1F ZINC000097163013 556993873 /nfs/dbraw/zinc/99/38/73/556993873.db2.gz DXYXZMXNRJZFFB-UHFFFAOYSA-N 0 0 449.467 3.588 50 0 IHAARN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000023080046 556996836 /nfs/dbraw/zinc/99/68/36/556996836.db2.gz JKABNEGQIQLXDQ-JOCHJYFZSA-N 0 0 438.531 3.928 50 0 IHAARN O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)c1ccccc1 ZINC000010679595 557000346 /nfs/dbraw/zinc/00/03/46/557000346.db2.gz ZTLDRHDQRZRDGM-UHFFFAOYSA-N 0 0 446.878 3.942 50 0 IHAARN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000020294211 557006289 /nfs/dbraw/zinc/00/62/89/557006289.db2.gz AXBYLFITXLZKEL-UHFFFAOYSA-N 0 0 440.773 3.803 50 0 IHAARN CCNc1nn(CC(=O)NCc2ccc(C)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125424 557007173 /nfs/dbraw/zinc/00/71/73/557007173.db2.gz VUWHQXCJSIRWST-UHFFFAOYSA-N 0 0 445.527 3.547 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000020331477 557008510 /nfs/dbraw/zinc/00/85/10/557008510.db2.gz PHGWNIYLGMQIHQ-KEZOAJOQSA-N 0 0 435.483 3.841 50 0 IHAARN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1cnccc1Nc1ccc(F)cc1 ZINC000097230836 557009236 /nfs/dbraw/zinc/00/92/36/557009236.db2.gz CRWLLGMCYAROJQ-UHFFFAOYSA-N 0 0 427.501 3.950 50 0 IHAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000020426533 557015473 /nfs/dbraw/zinc/01/54/73/557015473.db2.gz QBORKAUJQJSHPY-UHFFFAOYSA-N 0 0 425.529 3.796 50 0 IHAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 ZINC000023135480 557018577 /nfs/dbraw/zinc/01/85/77/557018577.db2.gz AKLLFFDXVNJPRG-UHFFFAOYSA-N 0 0 443.294 3.654 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)cc1O ZINC000046017126 557020446 /nfs/dbraw/zinc/02/04/46/557020446.db2.gz RKZFQNTWOVRTLS-INIZCTEOSA-N 0 0 437.521 3.569 50 0 IHAARN COc1cccc(CSc2nc(C)c(CC(=O)N3CCc4ccccc4C3)c(=O)[nH]2)c1 ZINC000023138550 557021780 /nfs/dbraw/zinc/02/17/80/557021780.db2.gz DIALMXZBBMLKIK-UHFFFAOYSA-N 0 0 435.549 3.507 50 0 IHAARN COCCCNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 ZINC000046016494 557022856 /nfs/dbraw/zinc/02/28/56/557022856.db2.gz LPCCRCXQRXSYKY-UHFFFAOYSA-N 0 0 430.508 3.927 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O ZINC000046023737 557022873 /nfs/dbraw/zinc/02/28/73/557022873.db2.gz WKZHDMYMYUWBDN-UHFFFAOYSA-N 0 0 439.390 3.748 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000046027715 557024122 /nfs/dbraw/zinc/02/41/22/557024122.db2.gz FNTIDUSAQWPQOT-KRWDZBQOSA-N 0 0 443.613 3.935 50 0 IHAARN CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)n1 ZINC000023142610 557024635 /nfs/dbraw/zinc/02/46/35/557024635.db2.gz GBVAGEYSMVXWBU-MRXNPFEDSA-N 0 0 437.525 3.632 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000072046897 557024907 /nfs/dbraw/zinc/02/49/07/557024907.db2.gz OIEOGNFCVSHFHM-YZVOILCLSA-N 0 0 425.529 3.802 50 0 IHAARN O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000046053555 557026357 /nfs/dbraw/zinc/02/63/57/557026357.db2.gz RATPTZWVXRGPDQ-UHFFFAOYSA-N 0 0 437.540 3.576 50 0 IHAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2c1 ZINC000046058408 557029415 /nfs/dbraw/zinc/02/94/15/557029415.db2.gz KFLKMCJWDGDVSK-UHFFFAOYSA-N 0 0 432.523 3.726 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000046074677 557031151 /nfs/dbraw/zinc/03/11/51/557031151.db2.gz VRSXBSITTVSJPS-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1 ZINC000046074944 557031413 /nfs/dbraw/zinc/03/14/13/557031413.db2.gz SGYCGRFTWDMXFL-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000046075154 557031445 /nfs/dbraw/zinc/03/14/45/557031445.db2.gz NKORBPBBMMKPOP-OAHLLOKOSA-N 0 0 440.912 3.780 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc(OCC)c1OCC ZINC000051356516 557032070 /nfs/dbraw/zinc/03/20/70/557032070.db2.gz HEIAEOKCCALMNT-MRXNPFEDSA-N 0 0 445.512 3.926 50 0 IHAARN CSc1nc2nc(C)c(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000017217722 557039663 /nfs/dbraw/zinc/03/96/63/557039663.db2.gz YCMZPKVWOFIHHX-ZDUSSCGKSA-N 0 0 447.948 3.619 50 0 IHAARN Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000046145693 557043922 /nfs/dbraw/zinc/04/39/22/557043922.db2.gz YSBDKDDGPPDKMN-UHFFFAOYSA-N 0 0 441.553 3.544 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000051357836 557045229 /nfs/dbraw/zinc/04/52/29/557045229.db2.gz BYUWDLHYLGMCGP-UHFFFAOYSA-N 0 0 445.494 3.860 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1-c1ccccc1 ZINC000017297447 557047463 /nfs/dbraw/zinc/04/74/63/557047463.db2.gz BEQCEVYLHSPHDW-UHFFFAOYSA-N 0 0 449.488 3.893 50 0 IHAARN CCOc1ccc(NC(=O)CN2CCN(Cc3cc(C)ccc3OC)CC2)cc1OCC ZINC000022923753 557047953 /nfs/dbraw/zinc/04/79/53/557047953.db2.gz QUILVQCWVHXJLR-UHFFFAOYSA-N 0 0 441.572 3.557 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc1 ZINC000017269632 557048507 /nfs/dbraw/zinc/04/85/07/557048507.db2.gz NYDVLUTZCTXPFR-UHFFFAOYSA-N 0 0 429.542 3.915 50 0 IHAARN C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000017276220 557049357 /nfs/dbraw/zinc/04/93/57/557049357.db2.gz ZZBFLAIVIINXRD-AWEZNQCLSA-N 0 0 446.532 3.593 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000022929770 557049481 /nfs/dbraw/zinc/04/94/81/557049481.db2.gz JZJLVGOCQBXANO-IBGZPJMESA-N 0 0 433.556 3.925 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 ZINC000017306672 557052308 /nfs/dbraw/zinc/05/23/08/557052308.db2.gz ZRVFJRVGPBBGJH-UHFFFAOYSA-N 0 0 425.441 3.566 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 ZINC000017306579 557052313 /nfs/dbraw/zinc/05/23/13/557052313.db2.gz YRLVWRFYSJXXLD-UHFFFAOYSA-N 0 0 425.441 3.566 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O ZINC000017306745 557052363 /nfs/dbraw/zinc/05/23/63/557052363.db2.gz SAQYOEKMQYEIQW-UHFFFAOYSA-N 0 0 425.441 3.566 50 0 IHAARN Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1Br ZINC000017305779 557052410 /nfs/dbraw/zinc/05/24/10/557052410.db2.gz GKSMZHGTIRUVMH-HNNXBMFYSA-N 0 0 428.334 3.970 50 0 IHAARN C[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)N(C)c1ccccc1 ZINC000048286927 557053019 /nfs/dbraw/zinc/05/30/19/557053019.db2.gz NZZKVQINHULIFZ-SFHVURJKSA-N 0 0 430.504 3.944 50 0 IHAARN O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000033275206 557053560 /nfs/dbraw/zinc/05/35/60/557053560.db2.gz SPVMMYAJHVZSLE-UHFFFAOYSA-N 0 0 430.552 3.754 50 0 IHAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000010880123 557057234 /nfs/dbraw/zinc/05/72/34/557057234.db2.gz WVRPMWIRYBJLFH-NRFANRHFSA-N 0 0 435.549 3.708 50 0 IHAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)NC(=O)CCC2=O ZINC000033276546 557057257 /nfs/dbraw/zinc/05/72/57/557057257.db2.gz ADVWPHSCYLAEBV-UHFFFAOYSA-N 0 0 438.509 3.649 50 0 IHAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000017316989 557057626 /nfs/dbraw/zinc/05/76/26/557057626.db2.gz UAWXKORTWBJFJL-UHFFFAOYSA-N 0 0 433.434 3.574 50 0 IHAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC000023030458 557058497 /nfs/dbraw/zinc/05/84/97/557058497.db2.gz ZLCRDSGGEHTLPZ-UHFFFAOYSA-N 0 0 440.521 3.581 50 0 IHAARN CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C2 ZINC000033277342 557059232 /nfs/dbraw/zinc/05/92/32/557059232.db2.gz QRAOMKYWICSFRM-UHFFFAOYSA-N 0 0 434.515 3.703 50 0 IHAARN C[C@@H](OC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000023046588 557059760 /nfs/dbraw/zinc/05/97/60/557059760.db2.gz YOLLTYQERXCBSC-OAHLLOKOSA-N 0 0 446.500 3.522 50 0 IHAARN Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c1 ZINC000033277939 557059919 /nfs/dbraw/zinc/05/99/19/557059919.db2.gz HFVOZEUQRARLKT-UHFFFAOYSA-N 0 0 433.512 3.987 50 0 IHAARN COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCC2)cc1OC(F)F ZINC000048310137 557060237 /nfs/dbraw/zinc/06/02/37/557060237.db2.gz RLSDTRUHLJDVCB-UHFFFAOYSA-N 0 0 425.453 3.940 50 0 IHAARN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000048309980 557060251 /nfs/dbraw/zinc/06/02/51/557060251.db2.gz ADARYENVURAAQK-JOCHJYFZSA-N 0 0 433.508 3.635 50 0 IHAARN CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)sc2c1 ZINC000023054916 557060385 /nfs/dbraw/zinc/06/03/85/557060385.db2.gz RJTZVPVAUKNKFO-INIZCTEOSA-N 0 0 445.566 3.568 50 0 IHAARN COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000017334305 557060657 /nfs/dbraw/zinc/06/06/57/557060657.db2.gz XZPDNHXOCCGTCG-UHFFFAOYSA-N 0 0 429.369 3.817 50 0 IHAARN Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)no1 ZINC000048312097 557061300 /nfs/dbraw/zinc/06/13/00/557061300.db2.gz WMIQXQMVAIUPAH-UHFFFAOYSA-N 0 0 432.546 3.569 50 0 IHAARN Cc1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br ZINC000023081009 557062812 /nfs/dbraw/zinc/06/28/12/557062812.db2.gz GGJJXUPEMSHMLK-SJORKVTESA-N 0 0 437.334 3.678 50 0 IHAARN CCCn1c(SCC(=O)NCCC(C)C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287564 557064886 /nfs/dbraw/zinc/06/48/86/557064886.db2.gz JHPXIILARLAARO-UHFFFAOYSA-N 0 0 430.574 3.561 50 0 IHAARN CCCn1c(SCC(=O)N2CCC(C)CC2)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287571 557064909 /nfs/dbraw/zinc/06/49/09/557064909.db2.gz RDAGBPHOJJGPFE-UHFFFAOYSA-N 0 0 442.585 3.657 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccccc3Cl)n(C)c(=O)c1n2C ZINC000033287588 557064918 /nfs/dbraw/zinc/06/49/18/557064918.db2.gz LEJOUZULQVCXTA-UHFFFAOYSA-N 0 0 442.928 3.818 50 0 IHAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)C1 ZINC000048325345 557066264 /nfs/dbraw/zinc/06/62/64/557066264.db2.gz AUJQKVQVORQULC-MRXNPFEDSA-N 0 0 430.555 3.509 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H]2C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000033282248 557067734 /nfs/dbraw/zinc/06/77/34/557067734.db2.gz FIZRWZBCXVWWQD-JOCHJYFZSA-N 0 0 449.576 3.711 50 0 IHAARN Cc1ccc(C)c(NC(=O)N2CCN(CCn3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000033281931 557067785 /nfs/dbraw/zinc/06/77/85/557067785.db2.gz NFPRBSXWVWVZOL-UHFFFAOYSA-N 0 0 446.477 3.917 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(F)cc4)c3N)c(C)o2)cc1 ZINC000033291725 557069670 /nfs/dbraw/zinc/06/96/70/557069670.db2.gz KFJUTPABDVNNMC-UHFFFAOYSA-N 0 0 436.447 3.662 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4F)c3N)c(C)o2)cc1 ZINC000033291686 557069705 /nfs/dbraw/zinc/06/97/05/557069705.db2.gz WYDRFWDMDZQAFI-UHFFFAOYSA-N 0 0 436.447 3.662 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000048341468 557071042 /nfs/dbraw/zinc/07/10/42/557071042.db2.gz IUTALPROXDALAL-LJQANCHMSA-N 0 0 426.590 3.910 50 0 IHAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000048342435 557071299 /nfs/dbraw/zinc/07/12/99/557071299.db2.gz DFNYVIQVUCGHST-UHFFFAOYSA-N 0 0 434.308 3.648 50 0 IHAARN CCCN(CC(=O)N(C)C)Cn1nc(Nc2cccc(Br)c2)sc1=S ZINC000048343156 557071347 /nfs/dbraw/zinc/07/13/47/557071347.db2.gz WFYBGCYHTGSJQP-UHFFFAOYSA-N 0 0 444.424 3.938 50 0 IHAARN COc1cccc(SCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)c1 ZINC000048362828 557074617 /nfs/dbraw/zinc/07/46/17/557074617.db2.gz WCTZNKHPVHEBDR-UHFFFAOYSA-N 0 0 426.494 3.645 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000048374944 557076039 /nfs/dbraw/zinc/07/60/39/557076039.db2.gz MIBACPVKBLOREO-UHFFFAOYSA-N 0 0 435.528 3.827 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 ZINC000023246940 557077932 /nfs/dbraw/zinc/07/79/32/557077932.db2.gz ACMDDYQGTZVQGX-CXAGYDPISA-N 0 0 429.344 3.550 50 0 IHAARN CN(Cc1ccco1)C(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023254074 557078975 /nfs/dbraw/zinc/07/89/75/557078975.db2.gz DJSXDZGSPNFJQP-UHFFFAOYSA-N 0 0 439.506 3.923 50 0 IHAARN CCc1cc2c(nc(SCC(=O)OC)n(CCc3ccc(OC)c(OC)c3)c2=O)s1 ZINC000011307678 557082103 /nfs/dbraw/zinc/08/21/03/557082103.db2.gz GOHULKRVDXCSRW-UHFFFAOYSA-N 0 0 448.566 3.545 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1CCc1ccccc1 ZINC000048987462 557082928 /nfs/dbraw/zinc/08/29/28/557082928.db2.gz ASPPLXFYTJGVDS-UHFFFAOYSA-N 0 0 448.479 3.705 50 0 IHAARN CCOC(=O)C1CCN(C(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)CC1 ZINC000033301480 557083331 /nfs/dbraw/zinc/08/33/31/557083331.db2.gz IZYKQVMBDYZLCX-UHFFFAOYSA-N 0 0 448.976 3.636 50 0 IHAARN Cc1ccc(CNS(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)C3CC3)s2)o1 ZINC000033306660 557085788 /nfs/dbraw/zinc/08/57/88/557085788.db2.gz UAWJJCXSCQNEAZ-VQHVLOKHSA-N 0 0 447.538 3.943 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000023339863 557085958 /nfs/dbraw/zinc/08/59/58/557085958.db2.gz LLXGJUOJDSUJFO-OAQYLSRUSA-N 0 0 425.598 3.725 50 0 IHAARN Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)nc12 ZINC000049008625 557086576 /nfs/dbraw/zinc/08/65/76/557086576.db2.gz VWQRMORETCCPMB-UHFFFAOYSA-N 0 0 444.278 3.937 50 0 IHAARN Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000023353597 557086701 /nfs/dbraw/zinc/08/67/01/557086701.db2.gz KZMWBKITSMWCTI-OAHLLOKOSA-N 0 0 431.949 3.642 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2cc(C(=O)Nc3ccccc3)ccc2oc1=O ZINC000033307454 557087096 /nfs/dbraw/zinc/08/70/96/557087096.db2.gz FIEPHIYFTJLAQO-UHFFFAOYSA-N 0 0 429.476 3.896 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)c(C)s1 ZINC000023368088 557088291 /nfs/dbraw/zinc/08/82/91/557088291.db2.gz WGUIIMPVXFKGTN-INIZCTEOSA-N 0 0 431.583 3.677 50 0 IHAARN Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)c2c1C ZINC000023380720 557088861 /nfs/dbraw/zinc/08/88/61/557088861.db2.gz PBVUOIOLHVDPIF-UHFFFAOYSA-N 0 0 439.585 3.721 50 0 IHAARN O=C(C[C@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000023382366 557089479 /nfs/dbraw/zinc/08/94/79/557089479.db2.gz VDFGDLLBZYILGX-IBGZPJMESA-N 0 0 432.480 3.667 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000023382383 557089602 /nfs/dbraw/zinc/08/96/02/557089602.db2.gz FBUIFZTWBLKNBH-QFIPXVFZSA-N 0 0 441.491 3.947 50 0 IHAARN COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382402 557089815 /nfs/dbraw/zinc/08/98/15/557089815.db2.gz QPDAFCDHOGAEEB-NRFANRHFSA-N 0 0 427.464 3.557 50 0 IHAARN CCOc1cccc(CNC(=O)CCn2c(=O)c3sccc3nc2N2CCCCC2)c1 ZINC000033308813 557089811 /nfs/dbraw/zinc/08/98/11/557089811.db2.gz AXJRSGDLAXTXBD-UHFFFAOYSA-N 0 0 440.569 3.554 50 0 IHAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382425 557089854 /nfs/dbraw/zinc/08/98/54/557089854.db2.gz VAZHFWWAMNZRDJ-NRFANRHFSA-N 0 0 441.491 3.947 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)CCc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1OC ZINC000033309546 557092367 /nfs/dbraw/zinc/09/23/67/557092367.db2.gz BGPYGGFQXJXHOZ-QGZVFWFLSA-N 0 0 445.523 3.927 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000023441661 557092400 /nfs/dbraw/zinc/09/24/00/557092400.db2.gz UPSOKTSOUDCJTK-VWLOTQADSA-N 0 0 445.538 3.511 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)COc4ccc(Cl)cc43)s2)cs1 ZINC000023447146 557092454 /nfs/dbraw/zinc/09/24/54/557092454.db2.gz RSMADPKILMSCSY-UHFFFAOYSA-N 0 0 447.969 3.918 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)CCn3cnc4sc(C)c(C)c4c3=O)o2)cs1 ZINC000023447310 557092516 /nfs/dbraw/zinc/09/25/16/557092516.db2.gz HRJWFWGLLOGMJY-UHFFFAOYSA-N 0 0 428.539 3.806 50 0 IHAARN CN(C)C(=O)[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017481084 557094534 /nfs/dbraw/zinc/09/45/34/557094534.db2.gz CYOWUBFHMPPVCW-QHCPKHFHSA-N 0 0 426.476 3.921 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1)CCC2 ZINC000023514898 557095645 /nfs/dbraw/zinc/09/56/45/557095645.db2.gz FQKPSIYVWCEKCO-UHFFFAOYSA-N 0 0 443.308 3.911 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)Cc2c(F)cccc2Cl)C(C)C)c1 ZINC000023528924 557095786 /nfs/dbraw/zinc/09/57/86/557095786.db2.gz FYODFMYPUPIBHX-FQEVSTJZSA-N 0 0 436.911 3.909 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(F)cc1 ZINC000049400985 557096722 /nfs/dbraw/zinc/09/67/22/557096722.db2.gz WNDMFLLWLYIJQA-UHFFFAOYSA-N 0 0 432.455 3.919 50 0 IHAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C3=C2C(=O)OC3)cc1 ZINC000049402928 557098219 /nfs/dbraw/zinc/09/82/19/557098219.db2.gz LKJSCRKGFYIWOQ-IBGZPJMESA-N 0 0 445.397 3.530 50 0 IHAARN C[C@@H](NC(=O)[C@@H](C)OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1Cl ZINC000010914470 557098457 /nfs/dbraw/zinc/09/84/57/557098457.db2.gz NLABTBNPRQSKDG-VXGBXAGGSA-N 0 0 448.306 3.582 50 0 IHAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000010914583 557098491 /nfs/dbraw/zinc/09/84/91/557098491.db2.gz AGZNZIMLFFVCQI-UHFFFAOYSA-N 0 0 447.514 3.860 50 0 IHAARN O=c1c(Br)c(Br)cnn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000023558963 557098769 /nfs/dbraw/zinc/09/87/69/557098769.db2.gz YWJSIXHHAZHRLI-UHFFFAOYSA-N 0 0 446.486 3.520 50 0 IHAARN COc1cc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)cc(OC)c1 ZINC000049403525 557099180 /nfs/dbraw/zinc/09/91/80/557099180.db2.gz PETPBMVBPCDNHU-UHFFFAOYSA-N 0 0 428.514 3.633 50 0 IHAARN Cc1c(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023568832 557099465 /nfs/dbraw/zinc/09/94/65/557099465.db2.gz GYKJFQNRLBVKFU-UHFFFAOYSA-N 0 0 445.353 3.764 50 0 IHAARN CCc1noc(-c2ccc(SCC(=O)N3CCN(c4cccc(C)c4C)CC3)nc2)n1 ZINC000049405596 557100614 /nfs/dbraw/zinc/10/06/14/557100614.db2.gz GXRPXYOFZVACFX-UHFFFAOYSA-N 0 0 437.569 3.752 50 0 IHAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)cc1C ZINC000049406377 557101594 /nfs/dbraw/zinc/10/15/94/557101594.db2.gz BNSASSYCZPURDU-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN CCc1ccc(-c2n[nH]cc2C(=O)N2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000049406900 557102578 /nfs/dbraw/zinc/10/25/78/557102578.db2.gz FZJIXWQEACNQRY-UHFFFAOYSA-N 0 0 432.524 3.682 50 0 IHAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1F ZINC000049408493 557103360 /nfs/dbraw/zinc/10/33/60/557103360.db2.gz USYPGUQYCVLLBK-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000585146913 557103528 /nfs/dbraw/zinc/10/35/28/557103528.db2.gz IOSFSXYDHYAADC-ZDUSSCGKSA-N 0 0 447.928 3.583 50 0 IHAARN CCN(CC)c1ccc(-c2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)cn1 ZINC000049409724 557104939 /nfs/dbraw/zinc/10/49/39/557104939.db2.gz DLDCTDYMATYYFN-UHFFFAOYSA-N 0 0 426.952 3.953 50 0 IHAARN COc1ccccc1CC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147568 557105143 /nfs/dbraw/zinc/10/51/43/557105143.db2.gz XZXCLOWLKKZSON-UHFFFAOYSA-N 0 0 435.499 3.539 50 0 IHAARN CCCn1nc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O ZINC000017672821 557107173 /nfs/dbraw/zinc/10/71/73/557107173.db2.gz HKQHXWBKUVARKH-UHFFFAOYSA-N 0 0 428.872 3.978 50 0 IHAARN CC(C)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000049421051 557107399 /nfs/dbraw/zinc/10/73/99/557107399.db2.gz WNDQECQSAPXLAM-UHFFFAOYSA-N 0 0 428.533 3.779 50 0 IHAARN COc1ccc(N2C(=O)N(Cc3cccc(OC)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049420937 557107410 /nfs/dbraw/zinc/10/74/10/557107410.db2.gz KTVKHLWURBZVLB-UHFFFAOYSA-N 0 0 425.466 3.561 50 0 IHAARN O=C(NCc1ccco1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421175 557107742 /nfs/dbraw/zinc/10/77/42/557107742.db2.gz RXDSQNJJBXOECR-MRXNPFEDSA-N 0 0 434.521 3.777 50 0 IHAARN COc1ccc(CC(=O)N2CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)cc1Cl ZINC000033327669 557110310 /nfs/dbraw/zinc/11/03/10/557110310.db2.gz WTKSPGSIQKEIEA-UHFFFAOYSA-N 0 0 440.931 3.594 50 0 IHAARN COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c(OC)c1OC ZINC000049544812 557111133 /nfs/dbraw/zinc/11/11/33/557111133.db2.gz QKOSJSOORHXMJO-HNNXBMFYSA-N 0 0 426.494 3.673 50 0 IHAARN CCCCn1c(N)c(N(C(=O)c2cc(CCC)c(C)s2)C2CCCC2)c(=O)[nH]c1=O ZINC000023731083 557111630 /nfs/dbraw/zinc/11/16/30/557111630.db2.gz GMXFKVHEGCWBRV-UHFFFAOYSA-N 0 0 432.590 3.831 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1cc(F)c(F)c(F)c1)C(=O)C[C@H]2c1ccccc1 ZINC000049546285 557111789 /nfs/dbraw/zinc/11/17/89/557111789.db2.gz FCVITRRNJMUFQK-ZDUSSCGKSA-N 0 0 448.422 3.700 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000023735841 557112111 /nfs/dbraw/zinc/11/21/11/557112111.db2.gz DIMOODQBLOBBES-GOSISDBHSA-N 0 0 431.989 3.598 50 0 IHAARN COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC ZINC000049546784 557112088 /nfs/dbraw/zinc/11/20/88/557112088.db2.gz XBRRYBRBLQIQHR-OAHLLOKOSA-N 0 0 426.494 3.673 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1cc(OC)cc(OC)c1 ZINC000049547305 557112215 /nfs/dbraw/zinc/11/22/15/557112215.db2.gz WSPPXRICGHCEOP-IBGZPJMESA-N 0 0 436.468 3.885 50 0 IHAARN CCN1CCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)CC1 ZINC000585152384 557113020 /nfs/dbraw/zinc/11/30/20/557113020.db2.gz WWRQRSUQPHJRRV-UHFFFAOYSA-N 0 0 431.945 3.988 50 0 IHAARN CC(=O)Nc1ccc2c(COC(=O)c3ccc(-n4nc(C)cc4C)cc3)cc(=O)oc2c1 ZINC000049573927 557113581 /nfs/dbraw/zinc/11/35/81/557113581.db2.gz BIALWNRDYVMTQT-UHFFFAOYSA-N 0 0 431.448 3.911 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000011363825 557113613 /nfs/dbraw/zinc/11/36/13/557113613.db2.gz RHTIZHJEMMQUAU-PBHICJAKSA-N 0 0 427.501 3.834 50 0 IHAARN O=C(NCC1(c2cccs2)CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000049521286 557114153 /nfs/dbraw/zinc/11/41/53/557114153.db2.gz NBDNSHBNPNUGAD-UHFFFAOYSA-N 0 0 425.554 3.832 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)NCCCn3nc(C)cc3C)CC2)c2ccccc12 ZINC000049634686 557115880 /nfs/dbraw/zinc/11/58/80/557115880.db2.gz AEEXERCJYDIZKV-UHFFFAOYSA-N 0 0 448.567 3.720 50 0 IHAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 ZINC000023881003 557122723 /nfs/dbraw/zinc/12/27/23/557122723.db2.gz QNGABUCUWDIVBY-IBGZPJMESA-N 0 0 435.597 3.616 50 0 IHAARN Cc1nc(COc2ccc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2)cs1 ZINC000023883515 557123853 /nfs/dbraw/zinc/12/38/53/557123853.db2.gz QOPMCIWXCIEYRK-QHCPKHFHSA-N 0 0 437.565 3.834 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)cc1 ZINC000000650927 557125917 /nfs/dbraw/zinc/12/59/17/557125917.db2.gz OHKUPAJIJJUVQQ-UHFFFAOYSA-N 0 0 436.541 3.606 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000023934996 557126206 /nfs/dbraw/zinc/12/62/06/557126206.db2.gz KBRUMEKGPKAHCR-VWLOTQADSA-N 0 0 444.531 3.730 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2Cc2ccco2)CC1 ZINC000011374245 557129313 /nfs/dbraw/zinc/12/93/13/557129313.db2.gz FXWDPKQEERXMDK-UHFFFAOYSA-N 0 0 440.525 3.859 50 0 IHAARN COc1ccccc1NC(=O)Cc1noc(COc2ccc(F)cc2Br)n1 ZINC000024725357 557130286 /nfs/dbraw/zinc/13/02/86/557130286.db2.gz FHOUFAIKWZDBKL-UHFFFAOYSA-N 0 0 436.237 3.740 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](c3nccn3C)c3cccc(F)c3)c(=O)oc2c1 ZINC000024016440 557131980 /nfs/dbraw/zinc/13/19/80/557131980.db2.gz FEGGWDBYMILQNL-QHCPKHFHSA-N 0 0 449.482 3.821 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(SC(F)F)cc3)CC2)cc1 ZINC000011381068 557133303 /nfs/dbraw/zinc/13/33/03/557133303.db2.gz XZNWEICCBPPZNV-UHFFFAOYSA-N 0 0 440.537 3.893 50 0 IHAARN Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000024089766 557136146 /nfs/dbraw/zinc/13/61/46/557136146.db2.gz PEEUPWIFUCEXOQ-MFQLZACFSA-N 0 0 436.552 3.963 50 0 IHAARN CCOC(=O)c1c(C)oc(NC(=O)CSc2c(Cl)cccc2Cl)c1C(N)=O ZINC000024145223 557138677 /nfs/dbraw/zinc/13/86/77/557138677.db2.gz KTNKUXHFYWMNLZ-UHFFFAOYSA-N 0 0 431.297 3.901 50 0 IHAARN CCOc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000024216577 557141408 /nfs/dbraw/zinc/14/14/08/557141408.db2.gz FXGSWWODJYUMEA-OAQYLSRUSA-N 0 0 429.948 3.939 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004761231 557142701 /nfs/dbraw/zinc/14/27/01/557142701.db2.gz UROYZANJRMCQNS-UEXGIBASSA-N 0 0 426.513 3.576 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000024334228 557144205 /nfs/dbraw/zinc/14/42/05/557144205.db2.gz ZLGTWZLDDCUWHB-UHFFFAOYSA-N 0 0 433.331 3.519 50 0 IHAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1nc(-c2cccs2)no1 ZINC000024340628 557144496 /nfs/dbraw/zinc/14/44/96/557144496.db2.gz OGHGRUMOMSYBEO-UHFFFAOYSA-N 0 0 429.542 3.954 50 0 IHAARN Cc1ccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1I ZINC000010943922 557144784 /nfs/dbraw/zinc/14/47/84/557144784.db2.gz DSKBSLMOWXKEPQ-UHFFFAOYSA-N 0 0 449.292 3.999 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)n(C)c1 ZINC000024472281 557148108 /nfs/dbraw/zinc/14/81/08/557148108.db2.gz WKFSCHTUOVPVNZ-UHFFFAOYSA-N 0 0 443.491 3.667 50 0 IHAARN CSCC[C@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247513179 557149009 /nfs/dbraw/zinc/14/90/09/557149009.db2.gz IYFQDVNDMFWUTK-IIAWOOMASA-N 0 0 432.567 3.636 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)cc1Br ZINC000011457261 557150804 /nfs/dbraw/zinc/15/08/04/557150804.db2.gz DZGJTOBWQQZEKZ-UHFFFAOYSA-N 0 0 428.666 3.742 50 0 IHAARN COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000011479347 557152275 /nfs/dbraw/zinc/15/22/75/557152275.db2.gz CKZCNDBXNCBLIG-QGZVFWFLSA-N 0 0 432.476 3.982 50 0 IHAARN COc1cc(NC(=O)N2CCN(c3nsc4ccccc43)CC2)cc(OC)c1OC ZINC000009874132 557152519 /nfs/dbraw/zinc/15/25/19/557152519.db2.gz QUNQWHQILYBTPI-UHFFFAOYSA-N 0 0 428.514 3.676 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1Cl ZINC000043941941 557153048 /nfs/dbraw/zinc/15/30/48/557153048.db2.gz POQZJCOIUMXQJL-UHFFFAOYSA-N 0 0 429.904 3.614 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000024609319 557154269 /nfs/dbraw/zinc/15/42/69/557154269.db2.gz IOFYEPXMFNZZHJ-FQEVSTJZSA-N 0 0 428.598 3.674 50 0 IHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1Cl ZINC000024608989 557154363 /nfs/dbraw/zinc/15/43/63/557154363.db2.gz NDRCYUQOBYQASH-UHFFFAOYSA-N 0 0 436.961 3.838 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3)CC2)c1 ZINC000024611925 557155086 /nfs/dbraw/zinc/15/50/86/557155086.db2.gz HITPQSRNSXNKKM-UHFFFAOYSA-N 0 0 446.638 3.586 50 0 IHAARN COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(I)cc32)c1 ZINC000095080397 557156180 /nfs/dbraw/zinc/15/61/80/557156180.db2.gz LKRTVQCVFDJPAW-UHFFFAOYSA-N 0 0 433.249 3.999 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000024631743 557156711 /nfs/dbraw/zinc/15/67/11/557156711.db2.gz YKLSWQGCHUQNCF-OAQYLSRUSA-N 0 0 425.529 3.664 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000024646367 557156960 /nfs/dbraw/zinc/15/69/60/557156960.db2.gz KGKPCJOUFWOERP-IBGZPJMESA-N 0 0 444.553 3.514 50 0 IHAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000024649279 557157283 /nfs/dbraw/zinc/15/72/83/557157283.db2.gz WMNREFBVCJMKGQ-UHFFFAOYSA-N 0 0 448.850 3.632 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000024651956 557157399 /nfs/dbraw/zinc/15/73/99/557157399.db2.gz XNBHPSRWCMEKCZ-YADHBBJMSA-N 0 0 430.504 3.846 50 0 IHAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)c12 ZINC000024663981 557158026 /nfs/dbraw/zinc/15/80/26/557158026.db2.gz KTDGSWRKHOAAQN-GOSISDBHSA-N 0 0 448.504 3.623 50 0 IHAARN Cc1ccc(-c2nc(C)c(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)s2)o1 ZINC000024668419 557158351 /nfs/dbraw/zinc/15/83/51/557158351.db2.gz QQIQSULYFCOAOX-MRXNPFEDSA-N 0 0 427.551 3.851 50 0 IHAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)(C)OC(C)=O)cc1 ZINC000023304605 557162933 /nfs/dbraw/zinc/16/29/33/557162933.db2.gz RMMMAEXGUODWEJ-QFIPXVFZSA-N 0 0 427.497 3.528 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000024757984 557163682 /nfs/dbraw/zinc/16/36/82/557163682.db2.gz ZGFZMIWLIWYHDH-GFCCVEGCSA-N 0 0 432.329 3.638 50 0 IHAARN CCCCCn1c(=O)c2cc(Br)ccc2nc1SCCN1CCOC1=O ZINC000024766551 557165207 /nfs/dbraw/zinc/16/52/07/557165207.db2.gz CHZLTTTVSJYKLF-UHFFFAOYSA-N 0 0 440.363 3.894 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000024775157 557166714 /nfs/dbraw/zinc/16/67/14/557166714.db2.gz YTELFJZWRTVSNX-NQIIRXRSSA-N 0 0 436.508 3.921 50 0 IHAARN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024830498 557170003 /nfs/dbraw/zinc/17/00/03/557170003.db2.gz KIIYHTJJGGEOOR-IBGZPJMESA-N 0 0 428.558 3.889 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc(F)cc1 ZINC000000755451 557170120 /nfs/dbraw/zinc/17/01/20/557170120.db2.gz JNZLGRRVZAEJMO-UHFFFAOYSA-N 0 0 431.489 3.890 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1 ZINC000000755452 557170153 /nfs/dbraw/zinc/17/01/53/557170153.db2.gz ZWUQMCYVODCLFR-UHFFFAOYSA-N 0 0 443.525 3.759 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc3nc(C)cn23)ccc1Cl ZINC000024831511 557170546 /nfs/dbraw/zinc/17/05/46/557170546.db2.gz PFKDLRMXRDIHRW-UHFFFAOYSA-N 0 0 440.978 3.569 50 0 IHAARN CC(C)c1cc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 ZINC000024831965 557170886 /nfs/dbraw/zinc/17/08/86/557170886.db2.gz JQXIEKLHEROCJH-INIZCTEOSA-N 0 0 444.557 3.558 50 0 IHAARN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207018096 557170909 /nfs/dbraw/zinc/17/09/09/557170909.db2.gz LLZKCKNNYVJBBB-CYBMUJFWSA-N 0 0 437.518 3.589 50 0 IHAARN Cc1nnc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)o1 ZINC000024911113 557178337 /nfs/dbraw/zinc/17/83/37/557178337.db2.gz SKODVRGWENSFHK-UHFFFAOYSA-N 0 0 446.257 3.515 50 0 IHAARN CCC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000024925268 557179791 /nfs/dbraw/zinc/17/97/91/557179791.db2.gz SAZZKXWCMUOYAX-PBHICJAKSA-N 0 0 440.565 3.924 50 0 IHAARN CON(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096179336 557182515 /nfs/dbraw/zinc/18/25/15/557182515.db2.gz NAZGMPRIGILXOT-NRFANRHFSA-N 0 0 426.513 3.729 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C=Cc1ccccc1Cl ZINC000097986344 557182855 /nfs/dbraw/zinc/18/28/55/557182855.db2.gz SBXCVPYXSBAKKT-KTKRTIGZSA-N 0 0 427.888 3.656 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000024971584 557183985 /nfs/dbraw/zinc/18/39/85/557183985.db2.gz JOAIXVPWXWSPAJ-UHFFFAOYSA-N 0 0 448.566 3.755 50 0 IHAARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3cc(=O)n4c5c(sc4n3)CCCC5)c12 ZINC000024977292 557184929 /nfs/dbraw/zinc/18/49/29/557184929.db2.gz DCFAOQKEIJKWEI-UHFFFAOYSA-N 0 0 436.493 3.714 50 0 IHAARN CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1[C@H](C)Oc1ccccc1 ZINC000009302759 557185373 /nfs/dbraw/zinc/18/53/73/557185373.db2.gz IAPPQTXXLGOXJC-LBPRGKRZSA-N 0 0 430.559 3.898 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000011559462 557185620 /nfs/dbraw/zinc/18/56/20/557185620.db2.gz BWXHSOZHEAFZDQ-LJQANCHMSA-N 0 0 446.500 3.740 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SCc3ccc(Br)cc3)n2C)cc1 ZINC000009426740 557188515 /nfs/dbraw/zinc/18/85/15/557188515.db2.gz QSBGCRQNNQSZGP-UHFFFAOYSA-N 0 0 447.358 3.809 50 0 IHAARN Cc1ccc(C(=O)[C@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1 ZINC000025054305 557191604 /nfs/dbraw/zinc/19/16/04/557191604.db2.gz GLFKUYANOZCWQC-XMMPIXPASA-N 0 0 433.508 3.555 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3Br)CC2)c(F)c1 ZINC000025063053 557193573 /nfs/dbraw/zinc/19/35/73/557193573.db2.gz ODNGLAIVCCBKOD-UHFFFAOYSA-N 0 0 435.293 3.518 50 0 IHAARN CCOC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100877296 557195694 /nfs/dbraw/zinc/19/56/94/557195694.db2.gz TWDHHQJRAQKZDG-UZYVYHOESA-N 0 0 437.290 3.909 50 0 IHAARN COc1ccccc1-n1nnnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000025110158 557195909 /nfs/dbraw/zinc/19/59/09/557195909.db2.gz VQLLXAGQWSSTIP-MRXNPFEDSA-N 0 0 431.521 3.932 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(CCCO)nn32)cc1OC ZINC000100892491 557198612 /nfs/dbraw/zinc/19/86/12/557198612.db2.gz GESNMWZRUXRAJE-SFHVURJKSA-N 0 0 426.904 3.930 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000100901741 557199662 /nfs/dbraw/zinc/19/96/62/557199662.db2.gz CGEOFMBZFRAORS-QHCPKHFHSA-N 0 0 444.487 3.678 50 0 IHAARN O=C(CSc1nc2ccccc2n1C(F)F)NCC1(N2CCOCC2)CCCCC1 ZINC000025255615 557201535 /nfs/dbraw/zinc/20/15/35/557201535.db2.gz CYYKZEUCAVDBKP-UHFFFAOYSA-N 0 0 438.544 3.675 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000025272019 557202078 /nfs/dbraw/zinc/20/20/78/557202078.db2.gz AKRJVTURVFCNGU-UHFFFAOYSA-N 0 0 429.523 3.562 50 0 IHAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100923321 557202104 /nfs/dbraw/zinc/20/21/04/557202104.db2.gz HDGRGYIOPAXWKP-RISCZKNCSA-N 0 0 430.169 3.700 50 0 IHAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100923319 557202165 /nfs/dbraw/zinc/20/21/65/557202165.db2.gz HDGRGYIOPAXWKP-FZMZJTMJSA-N 0 0 430.169 3.700 50 0 IHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000100942697 557203194 /nfs/dbraw/zinc/20/31/94/557203194.db2.gz IRDDNVUFRRBXFA-WMZOPIPTSA-N 0 0 446.290 3.599 50 0 IHAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 ZINC000096793220 557205444 /nfs/dbraw/zinc/20/54/44/557205444.db2.gz CKNPPZYUVINXIA-OAQYLSRUSA-N 0 0 427.932 3.583 50 0 IHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OC[C@H]3CCCO3)c2)cc1 ZINC000025397204 557208107 /nfs/dbraw/zinc/20/81/07/557208107.db2.gz QHNHWINHNNEVEZ-LJQANCHMSA-N 0 0 433.526 3.555 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000011610514 557208324 /nfs/dbraw/zinc/20/83/24/557208324.db2.gz KLUOCOPZNBSOPA-GOSISDBHSA-N 0 0 437.359 3.858 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000025443962 557209932 /nfs/dbraw/zinc/20/99/32/557209932.db2.gz OREVYAWMANQTCL-FQEVSTJZSA-N 0 0 430.549 3.783 50 0 IHAARN Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl ZINC000025446868 557210000 /nfs/dbraw/zinc/21/00/00/557210000.db2.gz CUKAQXQZXXEFDD-UHFFFAOYSA-N 0 0 426.991 3.743 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000169770368 557211799 /nfs/dbraw/zinc/21/17/99/557211799.db2.gz KFCQWSRLRGEHFN-UHFFFAOYSA-N 0 0 448.420 3.797 50 0 IHAARN Cc1ccccc1OCCSc1ncn(-c2nc(NC(C)C)nc(NC(C)C)n2)n1 ZINC000025496397 557212124 /nfs/dbraw/zinc/21/21/24/557212124.db2.gz XBZFYHCIHYKNBG-UHFFFAOYSA-N 0 0 428.566 3.572 50 0 IHAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000169770671 557212135 /nfs/dbraw/zinc/21/21/35/557212135.db2.gz JTRLWETZRHLBSJ-UHFFFAOYSA-N 0 0 448.567 3.946 50 0 IHAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042140 557215114 /nfs/dbraw/zinc/21/51/14/557215114.db2.gz QRZUBVVLWPVAKY-VZCXRCSSSA-N 0 0 438.958 3.537 50 0 IHAARN COc1ccc(C(O)=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000025581095 557216309 /nfs/dbraw/zinc/21/63/09/557216309.db2.gz BHFXHZDHXBBNKM-WFXMLNOXSA-N 0 0 436.430 3.923 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)n2)c(F)c1 ZINC000010994217 557217638 /nfs/dbraw/zinc/21/76/38/557217638.db2.gz JTVPGRVECBMGNC-KRWDZBQOSA-N 0 0 442.472 3.744 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1OC ZINC000025613745 557219367 /nfs/dbraw/zinc/21/93/67/557219367.db2.gz VRUPRGGKKPXEFL-ROUUACIJSA-N 0 0 431.920 3.820 50 0 IHAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000025611775 557219424 /nfs/dbraw/zinc/21/94/24/557219424.db2.gz CRDLMVZCRCQWFD-UHFFFAOYSA-N 0 0 445.548 3.603 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000011646111 557219480 /nfs/dbraw/zinc/21/94/80/557219480.db2.gz DOPMPZXLHQIQSX-UHFFFAOYSA-N 0 0 434.461 3.556 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)C3CCCCC3)C2=O)cc1C ZINC000025636663 557220040 /nfs/dbraw/zinc/22/00/40/557220040.db2.gz PTROPJGBPXRTHP-AREMUKBSSA-N 0 0 433.552 3.890 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000025656795 557220632 /nfs/dbraw/zinc/22/06/32/557220632.db2.gz RYDKIELHJAKLKF-UHFFFAOYSA-N 0 0 448.353 3.942 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000011000803 557222674 /nfs/dbraw/zinc/22/26/74/557222674.db2.gz FMPLFDXUXNQHMH-UHFFFAOYSA-N 0 0 427.353 3.839 50 0 IHAARN COC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756798 557223799 /nfs/dbraw/zinc/22/37/99/557223799.db2.gz BLPQLKOUQCRNET-FQEVSTJZSA-N 0 0 425.481 3.799 50 0 IHAARN Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000010962898 557226094 /nfs/dbraw/zinc/22/60/94/557226094.db2.gz TWSQKPVDZMULOI-UHFFFAOYSA-N 0 0 447.579 3.723 50 0 IHAARN COc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1 ZINC000025804024 557227148 /nfs/dbraw/zinc/22/71/48/557227148.db2.gz DGIXJRIXLUKGHD-UHFFFAOYSA-N 0 0 427.526 3.833 50 0 IHAARN Cc1nn(-c2ccc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cc2)c(C)c1Cl ZINC000025815530 557227470 /nfs/dbraw/zinc/22/74/70/557227470.db2.gz SRCJLXUHTDWGEH-SFHVURJKSA-N 0 0 447.944 3.565 50 0 IHAARN O=S(=O)(NCCn1c2ncccc2nc1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000032949676 557228042 /nfs/dbraw/zinc/22/80/42/557228042.db2.gz RXWJUXVUWZAKIQ-UHFFFAOYSA-N 0 0 432.549 3.956 50 0 IHAARN COc1ccc(-n2c(=O)c(C(=O)NCc3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000000809737 557228947 /nfs/dbraw/zinc/22/89/47/557228947.db2.gz DOCOIYDCAQXQHL-UHFFFAOYSA-N 0 0 430.504 3.931 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000011658847 557229305 /nfs/dbraw/zinc/22/93/05/557229305.db2.gz ROBCBXQWJJFKLR-UHFFFAOYSA-N 0 0 434.496 3.732 50 0 IHAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000011574959 557229792 /nfs/dbraw/zinc/22/97/92/557229792.db2.gz BKJXZLGZANIYTA-UHFFFAOYSA-N 0 0 439.537 3.919 50 0 IHAARN C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000025914311 557230038 /nfs/dbraw/zinc/23/00/38/557230038.db2.gz ULTAVLCEOFTYIO-CYBMUJFWSA-N 0 0 434.521 3.578 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)C(C)C ZINC000025922235 557230405 /nfs/dbraw/zinc/23/04/05/557230405.db2.gz MUVQHDZPKWRJIX-LJQANCHMSA-N 0 0 447.329 3.922 50 0 IHAARN C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C ZINC000025944879 557230629 /nfs/dbraw/zinc/23/06/29/557230629.db2.gz IFACDECLFLQXPL-SJORKVTESA-N 0 0 437.569 3.978 50 0 IHAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2ncccc21 ZINC000026045973 557232924 /nfs/dbraw/zinc/23/29/24/557232924.db2.gz OQPQWPUIRQBPOD-UHFFFAOYSA-N 0 0 438.553 3.728 50 0 IHAARN O=C(CCSc1ccccc1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC000011693862 557232853 /nfs/dbraw/zinc/23/28/53/557232853.db2.gz SHSLDQDWOFCYDP-UHFFFAOYSA-N 0 0 437.500 3.608 50 0 IHAARN Cc1ccccc1OCCn1c2ccc(S(=O)(=O)N3CCCCCC3)cc2oc1=O ZINC000011689635 557233160 /nfs/dbraw/zinc/23/31/60/557233160.db2.gz JJKDYAFEESHNAW-UHFFFAOYSA-N 0 0 430.526 3.547 50 0 IHAARN COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1 ZINC000098211464 557234924 /nfs/dbraw/zinc/23/49/24/557234924.db2.gz RXVAHKMUYARQGA-UHFFFAOYSA-N 0 0 436.443 3.678 50 0 IHAARN O=C(c1cc(C2CC2)nc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000026113338 557234959 /nfs/dbraw/zinc/23/49/59/557234959.db2.gz MUUWJBJKNVUNEB-UHFFFAOYSA-N 0 0 441.578 3.757 50 0 IHAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCCc2ccccc21 ZINC000026413474 557240693 /nfs/dbraw/zinc/24/06/93/557240693.db2.gz INEAKKJVABQGSU-CQSZACIVSA-N 0 0 428.872 3.549 50 0 IHAARN Cc1ccc(C)c(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000026409026 557240706 /nfs/dbraw/zinc/24/07/06/557240706.db2.gz DMZJSJNPPXGZCM-UHFFFAOYSA-N 0 0 443.594 3.802 50 0 IHAARN C[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)N1CCCc2ccccc21 ZINC000026412984 557240795 /nfs/dbraw/zinc/24/07/95/557240795.db2.gz JTRWOYVYTLFPJX-HNNXBMFYSA-N 0 0 426.900 3.992 50 0 IHAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000026481513 557242534 /nfs/dbraw/zinc/24/25/34/557242534.db2.gz JITDBNPDTUOWBN-MRXNPFEDSA-N 0 0 438.440 3.675 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cc4nc5ccccc5[nH]4)cc3)C2=O)cc1 ZINC000100155894 557244049 /nfs/dbraw/zinc/24/40/49/557244049.db2.gz QWFAKRHXYUNBOX-QFIPXVFZSA-N 0 0 426.476 3.906 50 0 IHAARN O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000024934952 557244976 /nfs/dbraw/zinc/24/49/76/557244976.db2.gz DCHSBXJONCYBBU-UHFFFAOYSA-N 0 0 440.550 3.743 50 0 IHAARN COc1ccc2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)s3)ccc2c1 ZINC000026675312 557246159 /nfs/dbraw/zinc/24/61/59/557246159.db2.gz AZSYJTHYAUONRZ-FQEVSTJZSA-N 0 0 444.578 3.688 50 0 IHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 ZINC000026691531 557246840 /nfs/dbraw/zinc/24/68/40/557246840.db2.gz GUUMZHTZBKRLSD-BEFAXECRSA-N 0 0 435.343 3.779 50 0 IHAARN Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000018202128 557251048 /nfs/dbraw/zinc/25/10/48/557251048.db2.gz MBXUEJSZEYWIEG-UHFFFAOYSA-N 0 0 438.640 3.507 50 0 IHAARN Cn1cc(CCNC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c2ccccc21 ZINC000604418946 557251214 /nfs/dbraw/zinc/25/12/14/557251214.db2.gz UVLQCSQQLVVDBG-UHFFFAOYSA-N 0 0 445.972 3.734 50 0 IHAARN Cc1nc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)ccc2[nH]1 ZINC000604419193 557251235 /nfs/dbraw/zinc/25/12/35/557251235.db2.gz GNDNFAWFPPFQCB-HSZRJFAPSA-N 0 0 437.459 3.625 50 0 IHAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCC(=O)NCc1ccco1 ZINC000032952569 557251293 /nfs/dbraw/zinc/25/12/93/557251293.db2.gz MGSHSGHNDWEXRX-UHFFFAOYSA-N 0 0 444.563 3.517 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)[C@H](Cc1ccccc1)n1cnnn1 ZINC000026925996 557251725 /nfs/dbraw/zinc/25/17/25/557251725.db2.gz ZSGRCUOXDYFMLK-QHCPKHFHSA-N 0 0 427.512 3.634 50 0 IHAARN O=C(CC1(n2cccc2)CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000604419687 557251921 /nfs/dbraw/zinc/25/19/21/557251921.db2.gz SMVCRJRORDRPFL-UHFFFAOYSA-N 0 0 436.474 3.913 50 0 IHAARN CCCCCn1c(CCC(=O)N[C@H]2CCCC[C@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000026978701 557253110 /nfs/dbraw/zinc/25/31/10/557253110.db2.gz UTEGXHZKUTWGQM-MSOLQXFVSA-N 0 0 445.608 3.504 50 0 IHAARN CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)O[C@@H](C)C2 ZINC000018238498 557253721 /nfs/dbraw/zinc/25/37/21/557253721.db2.gz VPVVJBYERUGPLC-INIZCTEOSA-N 0 0 446.569 4.000 50 0 IHAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1F)Nc1ccccc1 ZINC000027017599 557254369 /nfs/dbraw/zinc/25/43/69/557254369.db2.gz RAJGTDFRRKCUOW-HXUWFJFHSA-N 0 0 433.439 3.587 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000027081324 557256617 /nfs/dbraw/zinc/25/66/17/557256617.db2.gz BMNXHIPBSSAENS-UHFFFAOYSA-N 0 0 431.517 3.791 50 0 IHAARN CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NC1CCCC1 ZINC000101160560 557257403 /nfs/dbraw/zinc/25/74/03/557257403.db2.gz FDASMTAUALVWMX-UHFFFAOYSA-N 0 0 430.574 3.762 50 0 IHAARN O=C(Nc1ccc(OC[C@H](O)COCc2ccc3c(c2)OCO3)cc1)c1cccs1 ZINC000027213914 557258866 /nfs/dbraw/zinc/25/88/66/557258866.db2.gz SMCDHMPLSCUELL-QGZVFWFLSA-N 0 0 427.478 3.686 50 0 IHAARN O=C(COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCCCCCC1 ZINC000027237088 557259192 /nfs/dbraw/zinc/25/91/92/557259192.db2.gz BLZPQCCYJNFXKM-NHCUHLMSSA-N 0 0 426.557 3.718 50 0 IHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)N[C@@H]1CCOc2ccccc21 ZINC000027317148 557260118 /nfs/dbraw/zinc/26/01/18/557260118.db2.gz KXKYLUBSADHALF-OAHLLOKOSA-N 0 0 445.342 3.966 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000027376136 557261156 /nfs/dbraw/zinc/26/11/56/557261156.db2.gz BRXZNIWHAPLFMN-AREMUKBSSA-N 0 0 448.611 3.613 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 ZINC000100594835 557265775 /nfs/dbraw/zinc/26/57/75/557265775.db2.gz VNWPAHHRXQZSNJ-ROUUACIJSA-N 0 0 448.449 3.569 50 0 IHAARN Cc1ccccc1CNCc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCC(C)C ZINC000013015926 557268987 /nfs/dbraw/zinc/26/89/87/557268987.db2.gz DBUBFRJFLZFYRR-UHFFFAOYSA-N 0 0 445.567 3.579 50 0 IHAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027663113 557269206 /nfs/dbraw/zinc/26/92/06/557269206.db2.gz ZZKITCGBWAGDMM-UHFFFAOYSA-N 0 0 437.521 3.588 50 0 IHAARN COc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1OC ZINC000101354169 557275304 /nfs/dbraw/zinc/27/53/04/557275304.db2.gz MWDPVMYEUYMOMU-UHFFFAOYSA-N 0 0 443.503 3.878 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1 ZINC000024964571 557279942 /nfs/dbraw/zinc/27/99/42/557279942.db2.gz PRWIVQPVZOHVPC-UHFFFAOYSA-N 0 0 439.533 3.900 50 0 IHAARN COC[C@H]1Cc2cc(OC)c3c(c2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1COC)OCO3 ZINC000014514479 557284511 /nfs/dbraw/zinc/28/45/11/557284511.db2.gz LBJCUHLNHSKZBW-LZJOCLMNSA-N 0 0 430.497 3.654 50 0 biogenic,in-vitro IHAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 ZINC000101622107 557292411 /nfs/dbraw/zinc/29/24/11/557292411.db2.gz OWHAPVDPMAOTGA-FQEVSTJZSA-N 0 0 446.334 3.650 50 0 IHAARN Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000048985746 557292429 /nfs/dbraw/zinc/29/24/29/557292429.db2.gz OEIPHVMYHVEWHC-UHFFFAOYSA-N 0 0 437.931 3.783 50 0 IHAARN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000101728525 557295241 /nfs/dbraw/zinc/29/52/41/557295241.db2.gz XDXJZBUCGIEITE-DNVJHFABSA-N 0 0 442.471 3.520 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(CNc4ccc(Br)cc4)cc3=O)[nH]2)cc1 ZINC000101796082 557298516 /nfs/dbraw/zinc/29/85/16/557298516.db2.gz NPAPCPQADPRIHV-UHFFFAOYSA-N 0 0 439.317 3.713 50 0 IHAARN CCC(=O)N(Cc1ccc(Cl)cc1)c1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101861065 557303992 /nfs/dbraw/zinc/30/39/92/557303992.db2.gz YKZYRESMEUWOST-UHFFFAOYSA-N 0 0 435.915 3.913 50 0 IHAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000101881702 557305369 /nfs/dbraw/zinc/30/53/69/557305369.db2.gz XLHKODXJCLSQEY-UHFFFAOYSA-N 0 0 448.910 3.918 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102745938 557307135 /nfs/dbraw/zinc/30/71/35/557307135.db2.gz WCWZRGSCUUMQJX-OAQYLSRUSA-N 0 0 441.553 3.750 50 0 IHAARN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)NCc1ccccc1Br ZINC000101945770 557307817 /nfs/dbraw/zinc/30/78/17/557307817.db2.gz LMJYVUAYHHNPNC-HNNXBMFYSA-N 0 0 426.314 3.985 50 0 IHAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CN4CCSC4=O)cc3)sc2c1 ZINC000014167791 557312920 /nfs/dbraw/zinc/31/29/20/557312920.db2.gz IVPIKYBJOSDWLX-UHFFFAOYSA-N 0 0 441.534 3.922 50 0 IHAARN CCn1c(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2ccccc21 ZINC000032748107 557314877 /nfs/dbraw/zinc/31/48/77/557314877.db2.gz ZIMKDSXDCHMOEI-UHFFFAOYSA-N 0 0 440.569 3.551 50 0 IHAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032768319 557315497 /nfs/dbraw/zinc/31/54/97/557315497.db2.gz JKEZWYCWCHQLMY-HNNXBMFYSA-N 0 0 443.494 3.984 50 0 IHAARN CCN(C(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000032872100 557316424 /nfs/dbraw/zinc/31/64/24/557316424.db2.gz LJZWADBCRRKDND-SWLSCSKDSA-N 0 0 428.963 3.511 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102258598 557316903 /nfs/dbraw/zinc/31/69/03/557316903.db2.gz UOSJWIBTOLISPK-FQEVSTJZSA-N 0 0 429.517 3.976 50 0 IHAARN Cc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033170125 557326707 /nfs/dbraw/zinc/32/67/07/557326707.db2.gz RFDBAXKKTILACD-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COC(=O)C[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 ZINC000011670516 557327789 /nfs/dbraw/zinc/32/77/89/557327789.db2.gz LMOWRBYRDWVQLF-AWEZNQCLSA-N 0 0 436.331 3.740 50 0 IHAARN CC(=O)Oc1c(C)cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1C ZINC000033162068 557327890 /nfs/dbraw/zinc/32/78/90/557327890.db2.gz XKDRKQOMBGXQJG-YVLHZVERSA-N 0 0 425.897 3.561 50 0 IHAARN O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)Nc1cccc(Br)c1 ZINC000033277679 557329115 /nfs/dbraw/zinc/32/91/15/557329115.db2.gz ALAWDPMIBRDTIC-UHFFFAOYSA-N 0 0 439.269 3.843 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000033289908 557332268 /nfs/dbraw/zinc/33/22/68/557332268.db2.gz WFPTXJWUQYHTMF-UHFFFAOYSA-N 0 0 440.525 3.572 50 0 IHAARN COC(=O)CCC(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000023331695 557343898 /nfs/dbraw/zinc/34/38/98/557343898.db2.gz RTRUXAHVDQJZRQ-UHFFFAOYSA-N 0 0 446.507 3.538 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)CSc3nnnn3Cc3ccco3)n2)cc1C ZINC000011684198 557366513 /nfs/dbraw/zinc/36/65/13/557366513.db2.gz BVPIOOGPMZGNRT-UHFFFAOYSA-N 0 0 426.527 3.786 50 0 IHAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000220812828 557367187 /nfs/dbraw/zinc/36/71/87/557367187.db2.gz CIAXPCJCSSUDOQ-IAGOWNOFSA-N 0 0 428.533 3.739 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)N1CCN(Cc2cccs2)CC1 ZINC000023736234 557372631 /nfs/dbraw/zinc/37/26/31/557372631.db2.gz ZJXYUGAEEPBDSG-UHFFFAOYSA-N 0 0 429.767 3.887 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000102800432 557390524 /nfs/dbraw/zinc/39/05/24/557390524.db2.gz WZBOSIJWIIQYLD-CLAROIROSA-N 0 0 449.938 3.964 50 0 IHAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)n1 ZINC000011695407 557393177 /nfs/dbraw/zinc/39/31/77/557393177.db2.gz IICYOGMYAOWTHF-UHFFFAOYSA-N 0 0 431.481 3.637 50 0 IHAARN CCCCNC(=O)N(CCc1ccccc1OC)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000102846341 557394479 /nfs/dbraw/zinc/39/44/79/557394479.db2.gz AJOLTKCWHCIXMR-OAQYLSRUSA-N 0 0 437.540 3.690 50 0 IHAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1OC ZINC000033470331 557401141 /nfs/dbraw/zinc/40/11/41/557401141.db2.gz WIIIONDQSKVYAH-MOSHPQCFSA-N 0 0 438.505 3.720 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12)c1ccccc1 ZINC000100486759 557409334 /nfs/dbraw/zinc/40/93/34/557409334.db2.gz NXTDRLQETVSXKY-PZJWPPBQSA-N 0 0 429.863 3.957 50 0 IHAARN CCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)CC1CC1 ZINC000033604279 557419557 /nfs/dbraw/zinc/41/95/57/557419557.db2.gz QHGRRELPOHOYES-UHFFFAOYSA-N 0 0 442.556 3.825 50 0 IHAARN CCC(N[C@@H](C)CCC[NH+](CC)CC)=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000103778980 557441430 /nfs/dbraw/zinc/44/14/30/557441430.db2.gz PKLVJTXVSWQUDG-WCZGFUKNSA-N 0 0 442.604 3.959 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]2CSCN2[C@@]12c1ccccc1N(CC)C2=O ZINC000103788469 557441787 /nfs/dbraw/zinc/44/17/87/557441787.db2.gz DCHGEZVGGQIRPO-YLNUKYHNSA-N 0 0 437.565 3.681 50 0 biogenic IHAARN COc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000096279969 557450361 /nfs/dbraw/zinc/45/03/61/557450361.db2.gz UVSFZJNALBGXEI-VXKWHMMOSA-N 0 0 442.531 3.747 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)CCC[C@H]2N3)cc1 ZINC000104711104 557458636 /nfs/dbraw/zinc/45/86/36/557458636.db2.gz QJIHSAQIHXCLAB-YHYVQYDKSA-N 0 0 434.496 3.724 50 0 IHAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1 ZINC000051316133 557463978 /nfs/dbraw/zinc/46/39/78/557463978.db2.gz HVEUXMWKIKGVDR-UHFFFAOYSA-N 0 0 431.467 3.855 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051316428 557464227 /nfs/dbraw/zinc/46/42/27/557464227.db2.gz IKPRMZVPQJGODX-UHFFFAOYSA-N 0 0 449.536 3.855 50 0 IHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1OC ZINC000105081216 557475554 /nfs/dbraw/zinc/47/55/54/557475554.db2.gz XOBXJEJCJFWRSI-GOSISDBHSA-N 0 0 444.539 3.832 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914131 557513474 /nfs/dbraw/zinc/51/34/74/557513474.db2.gz BSXFIYZZZLOQRJ-UHFFFAOYSA-N 0 0 442.451 3.821 50 0 IHAARN COc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1 ZINC000047146297 557517083 /nfs/dbraw/zinc/51/70/83/557517083.db2.gz SLABDJGLPDYHCM-UHFFFAOYSA-N 0 0 442.928 3.620 50 0 IHAARN O=C(C[C@H]1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019961991 557522722 /nfs/dbraw/zinc/52/27/22/557522722.db2.gz QVQAECUNDJOQOV-FQEVSTJZSA-N 0 0 440.459 3.882 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccccc2F)c3=O)cc1 ZINC000012071534 557526628 /nfs/dbraw/zinc/52/66/28/557526628.db2.gz UMOJGMAQWQPJBW-UHFFFAOYSA-N 0 0 447.514 3.508 50 0 IHAARN CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000106758207 557532196 /nfs/dbraw/zinc/53/21/96/557532196.db2.gz ZAKUGGPVOJYUBM-RVPKQNPDSA-N 0 0 428.457 3.787 50 0 IHAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)c(C)c1 ZINC000211082455 557533901 /nfs/dbraw/zinc/53/39/01/557533901.db2.gz FGZUNIPRBLQQRR-UHFFFAOYSA-N 0 0 432.523 3.708 50 0 IHAARN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000107362630 557535659 /nfs/dbraw/zinc/53/56/59/557535659.db2.gz IHNUACMOVHBJPK-FCHUYYIVSA-N 0 0 434.458 3.826 50 0 IHAARN O=C1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)[C@@H]2C=CC=C[C@H]2N1 ZINC000107526535 557536455 /nfs/dbraw/zinc/53/64/55/557536455.db2.gz QIFJOGLQNDMZEU-RTBURBONSA-N 0 0 433.309 3.859 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000044839550 557539141 /nfs/dbraw/zinc/53/91/41/557539141.db2.gz CETNVADMKBWBGB-UHFFFAOYSA-N 0 0 427.504 3.661 50 0 IHAARN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000108165104 557541735 /nfs/dbraw/zinc/54/17/35/557541735.db2.gz ZINAICWIEJTJBY-PMACEKPBSA-N 0 0 433.474 3.751 50 0 IHAARN CCc1cc2oc(=O)cc(COC(=O)c3ccc(N4CCOCC4)nc3)c2cc1Cl ZINC000045731810 557545111 /nfs/dbraw/zinc/54/51/11/557545111.db2.gz PBWAVXLORYKSEJ-UHFFFAOYSA-N 0 0 428.872 3.597 50 0 IHAARN Cc1cccc(Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)c1 ZINC000045899244 557546249 /nfs/dbraw/zinc/54/62/49/557546249.db2.gz WPADEGRZMZCNNR-UHFFFAOYSA-N 0 0 441.531 3.576 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000045895459 557546495 /nfs/dbraw/zinc/54/64/95/557546495.db2.gz CYQGVOUJUVWEQH-UHFFFAOYSA-N 0 0 448.508 3.746 50 0 IHAARN CCCCCn1c2nnc(CCC(=O)NCc3cccs3)n2c2ccsc2c1=O ZINC000045895874 557546501 /nfs/dbraw/zinc/54/65/01/557546501.db2.gz UTNXGBLHQOWDFO-UHFFFAOYSA-N 0 0 429.571 3.606 50 0 IHAARN CCCCSc1cc2c(cc1NS(=O)(=O)c1ccc(OC)cc1)n(C)c(=O)n2C ZINC000045941065 557549555 /nfs/dbraw/zinc/54/95/55/557549555.db2.gz WUQMJKRMKVFSDV-UHFFFAOYSA-N 0 0 435.571 3.579 50 0 IHAARN O=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000045961855 557555336 /nfs/dbraw/zinc/55/53/36/557555336.db2.gz WACWLSXRXIDDRB-UHFFFAOYSA-N 0 0 449.326 3.957 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)c1C ZINC000045973923 557555701 /nfs/dbraw/zinc/55/57/01/557555701.db2.gz CUKMQCFWWIJJBJ-UHFFFAOYSA-N 0 0 445.947 3.630 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000000841990 557693199 /nfs/dbraw/zinc/69/31/99/557693199.db2.gz GMCHMIAPWREGBP-YKUCYRFJSA-N 0 0 425.484 3.856 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000225391617 557717809 /nfs/dbraw/zinc/71/78/09/557717809.db2.gz JMSULXNFFIVZDY-NRFANRHFSA-N 0 0 440.540 3.781 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)cc12 ZINC000225442287 557723031 /nfs/dbraw/zinc/72/30/31/557723031.db2.gz BIZQSWZVWNCHPZ-JLCFBVMHSA-N 0 0 429.517 3.614 50 0 IHAARN O=C(c1csc(-c2ccsc2)n1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000225445797 557723717 /nfs/dbraw/zinc/72/37/17/557723717.db2.gz CXPPRZJNMGVVBN-HNNXBMFYSA-N 0 0 448.367 3.947 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2cnccc2-c2ccccc2)cc1 ZINC000225501016 557730988 /nfs/dbraw/zinc/73/09/88/557730988.db2.gz LBZIYVKMDVCMAC-UHFFFAOYSA-N 0 0 439.537 3.797 50 0 IHAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000225538529 557738419 /nfs/dbraw/zinc/73/84/19/557738419.db2.gz FEIVBKUKTJNIIF-XMMPIXPASA-N 0 0 449.501 3.780 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Br ZINC000225540551 557739044 /nfs/dbraw/zinc/73/90/44/557739044.db2.gz MZFZMONAEAXYMG-UHFFFAOYSA-N 0 0 427.339 3.716 50 0 IHAARN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1(C)C ZINC000225773581 557775802 /nfs/dbraw/zinc/77/58/02/557775802.db2.gz XZNXBRWNALAXBS-HNNXBMFYSA-N 0 0 434.562 3.883 50 0 IHAARN COc1cc(CCO)cc(OC)c1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225824209 557781528 /nfs/dbraw/zinc/78/15/28/557781528.db2.gz SVWMQKRXNIQQMB-UHFFFAOYSA-N 0 0 433.810 3.928 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000024979324 557811607 /nfs/dbraw/zinc/81/16/07/557811607.db2.gz VZPPTIZWLRYTSU-WEVVVXLNSA-N 0 0 446.878 3.775 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229305024 557831932 /nfs/dbraw/zinc/83/19/32/557831932.db2.gz YESPYEMTMVMGDU-MXTNKPTQSA-N 0 0 432.536 3.551 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c(OC)c1 ZINC000000870477 557841453 /nfs/dbraw/zinc/84/14/53/557841453.db2.gz GWDLAQVESDKKHA-UHFFFAOYSA-N 0 0 429.527 3.704 50 0 IHAARN COc1ccc(C(O)=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000238881774 557841782 /nfs/dbraw/zinc/84/17/82/557841782.db2.gz BHFXHZDHXBBNKM-BBTUJRGHSA-N 0 0 436.430 3.923 50 0 IHAARN COc1ccc(C(=O)N2[C@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000239403010 557844380 /nfs/dbraw/zinc/84/43/80/557844380.db2.gz RJUCJJZVFJESCM-YTFSRNRJSA-N 0 0 449.551 3.593 50 0 IHAARN Cc1ccc(OCCNC(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1 ZINC000242106213 557847209 /nfs/dbraw/zinc/84/72/09/557847209.db2.gz WHXCUMCVNSNXAA-UHFFFAOYSA-N 0 0 431.290 3.686 50 0 IHAARN CC(=O)N(c1nnc(SCC(=O)Nc2ccc(C)cc2Br)s1)C1CC1 ZINC000025048747 557858095 /nfs/dbraw/zinc/85/80/95/557858095.db2.gz MZTRCFHEWZLMFD-UHFFFAOYSA-N 0 0 441.376 3.855 50 0 IHAARN C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc2c(c1)OCCO2 ZINC000018891587 557862732 /nfs/dbraw/zinc/86/27/32/557862732.db2.gz BBTHAYYRWFUCBV-HNNXBMFYSA-N 0 0 427.478 3.516 50 0 IHAARN Cc1c(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000000947145 562919742 /nfs/dbraw/zinc/91/97/42/562919742.db2.gz IEJUBMWVDCJUDS-UHFFFAOYSA-N 0 0 436.899 3.537 50 0 IHAARN O=C(NC1CC1)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383909 562921565 /nfs/dbraw/zinc/92/15/65/562921565.db2.gz ODSHDWNGNGISJL-MQSUGXTHSA-N 0 0 434.495 3.975 50 0 IHAARN NC(=O)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 ZINC000002394179 562927286 /nfs/dbraw/zinc/92/72/86/562927286.db2.gz DMKHXWRISIOBRM-UHFFFAOYSA-N 0 0 427.580 3.697 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000002640083 562929071 /nfs/dbraw/zinc/92/90/71/562929071.db2.gz YGYZQVRRAKVAJR-LLVKDONJSA-N 0 0 426.454 3.543 50 0 IHAARN COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000002641026 562929096 /nfs/dbraw/zinc/92/90/96/562929096.db2.gz WJOYZMUVXWDXKP-UHFFFAOYSA-N 0 0 434.477 3.585 50 0 IHAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000002653301 562929433 /nfs/dbraw/zinc/92/94/33/562929433.db2.gz OBDHVFRIYDLBAP-UHFFFAOYSA-N 0 0 444.538 3.502 50 0 IHAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O ZINC000002964493 562931275 /nfs/dbraw/zinc/93/12/75/562931275.db2.gz UZSMJMFOOYDFBZ-SFHVURJKSA-N 0 0 431.521 3.633 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)Nc1ccc(C)cc1C ZINC000003048105 562932275 /nfs/dbraw/zinc/93/22/75/562932275.db2.gz DNGCFMDJZXRIDP-UHFFFAOYSA-N 0 0 428.510 3.631 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003285484 562933678 /nfs/dbraw/zinc/93/36/78/562933678.db2.gz XKBZESWEBYPURN-OAHLLOKOSA-N 0 0 438.436 3.783 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(F)cc1 ZINC000003429906 562935713 /nfs/dbraw/zinc/93/57/13/562935713.db2.gz WIIRKLNGDBZFML-QGZVFWFLSA-N 0 0 439.350 3.756 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000004163975 562942450 /nfs/dbraw/zinc/94/24/50/562942450.db2.gz NLNXOBPUJUGXKF-UHFFFAOYSA-N 0 0 449.617 3.569 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)C1 ZINC000004195794 562942623 /nfs/dbraw/zinc/94/26/23/562942623.db2.gz PQDLRMDJYZIBPF-HNNXBMFYSA-N 0 0 446.429 3.830 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(c1ccccn1)C1CCCCC1 ZINC000006142081 562946226 /nfs/dbraw/zinc/94/62/26/562946226.db2.gz RVLGPVMOCDEXDH-UHFFFAOYSA-N 0 0 433.599 3.910 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SCC2 ZINC000006559328 562947332 /nfs/dbraw/zinc/94/73/32/562947332.db2.gz IBCHTOCLHNTRSQ-UHFFFAOYSA-N 0 0 439.562 3.929 50 0 IHAARN O=C(Cn1c2ccccc2nc1SCCOc1ccccc1Cl)N1CCOCC1 ZINC000008586865 562950175 /nfs/dbraw/zinc/95/01/75/562950175.db2.gz PIHIJQMDLACPQK-UHFFFAOYSA-N 0 0 431.945 3.720 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)cc1 ZINC000008592068 562952204 /nfs/dbraw/zinc/95/22/04/562952204.db2.gz KTWWJXQQZAGQQR-UHFFFAOYSA-N 0 0 435.480 3.743 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCc1ccc(F)cc1)nc2C ZINC000008593546 562952757 /nfs/dbraw/zinc/95/27/57/562952757.db2.gz UKZQQAOXSXSWQT-UHFFFAOYSA-N 0 0 447.514 3.743 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccccc1F ZINC000008594743 562953070 /nfs/dbraw/zinc/95/30/70/562953070.db2.gz PMSAKLMURJHZRC-UHFFFAOYSA-N 0 0 438.843 3.662 50 0 IHAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000008595392 562953477 /nfs/dbraw/zinc/95/34/77/562953477.db2.gz XZEGVWCXSSQPJO-UHFFFAOYSA-N 0 0 444.582 3.854 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000008595526 562953568 /nfs/dbraw/zinc/95/35/68/562953568.db2.gz SIDQODFLHSBNLX-MRXNPFEDSA-N 0 0 427.526 3.673 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3cc(C)ccn3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595662 562953619 /nfs/dbraw/zinc/95/36/19/562953619.db2.gz SDIYOAGVXWPYQX-UHFFFAOYSA-N 0 0 439.475 3.842 50 0 IHAARN CCOc1cc(CNC(=O)N[C@@H]2COc3ccc(OC)cc3C2)cc(OCC)c1OCC ZINC000008598102 562954172 /nfs/dbraw/zinc/95/41/72/562954172.db2.gz SCMCVALCJKHVNO-SFHVURJKSA-N 0 0 444.528 3.694 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008601867 562955668 /nfs/dbraw/zinc/95/56/68/562955668.db2.gz UYALLMMSBMRMQO-FQEVSTJZSA-N 0 0 437.514 3.529 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1OC ZINC000008603691 562956056 /nfs/dbraw/zinc/95/60/56/562956056.db2.gz AWUYZTYXIUHOJS-UHFFFAOYSA-N 0 0 437.477 3.605 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008606306 562956929 /nfs/dbraw/zinc/95/69/29/562956929.db2.gz SCECBGZUNUEOGI-FQEVSTJZSA-N 0 0 431.554 3.560 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000008607617 562957349 /nfs/dbraw/zinc/95/73/49/562957349.db2.gz IKLFIGNCTRYFDC-UHFFFAOYSA-N 0 0 440.525 3.589 50 0 IHAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000008609272 562957709 /nfs/dbraw/zinc/95/77/09/562957709.db2.gz SZGBGAXQFSFLCT-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000008612057 562958922 /nfs/dbraw/zinc/95/89/22/562958922.db2.gz IEZDZAGBZNGVFP-MRXNPFEDSA-N 0 0 427.975 3.613 50 0 IHAARN CCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCC2 ZINC000008612277 562959163 /nfs/dbraw/zinc/95/91/63/562959163.db2.gz ZDFFDMGESODDRC-UHFFFAOYSA-N 0 0 440.521 3.752 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008613657 562959386 /nfs/dbraw/zinc/95/93/86/562959386.db2.gz IXGJONSUKQHYGG-UHFFFAOYSA-N 0 0 429.929 3.651 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4F)c3C)ns2)cc1 ZINC000008673344 562961161 /nfs/dbraw/zinc/96/11/61/562961161.db2.gz ZTEXOHWGJYKANR-UHFFFAOYSA-N 0 0 428.424 3.633 50 0 IHAARN O=C(COC(=O)c1ccccc1SCC(=O)NC1CCCCC1)NC1CCCCC1 ZINC000008687342 562962989 /nfs/dbraw/zinc/96/29/89/562962989.db2.gz TYUJASFJJYCKKS-UHFFFAOYSA-N 0 0 432.586 3.833 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@@H](O)c4ccccc4)ccc32)cc1 ZINC000008790864 562964211 /nfs/dbraw/zinc/96/42/11/562964211.db2.gz MLQDWRAQRJVTFL-HSZRJFAPSA-N 0 0 445.471 3.697 50 0 biogenic IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccccn4)ccc32)cc1 ZINC000008792022 562964227 /nfs/dbraw/zinc/96/42/27/562964227.db2.gz YPBINYWGYJDKCF-INIZCTEOSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(F)c3)s2)cc1 ZINC000008822131 562964371 /nfs/dbraw/zinc/96/43/71/562964371.db2.gz IGDXNMQOTUMUEH-UHFFFAOYSA-N 0 0 445.501 3.619 50 0 IHAARN CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008867539 562965490 /nfs/dbraw/zinc/96/54/90/562965490.db2.gz REBUDKCCCZWOLM-UHFFFAOYSA-N 0 0 449.891 3.894 50 0 IHAARN CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCc1ccccc1Cl ZINC000009130362 562967654 /nfs/dbraw/zinc/96/76/54/562967654.db2.gz OFHGDFQRYQWLDI-IBGZPJMESA-N 0 0 425.920 3.560 50 0 IHAARN CC(C)N1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000009390610 562969816 /nfs/dbraw/zinc/96/98/16/562969816.db2.gz OGSMFTIAQRIQCD-UHFFFAOYSA-N 0 0 442.368 3.938 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)cc2NC1=O ZINC000009430251 562970628 /nfs/dbraw/zinc/97/06/28/562970628.db2.gz ZYRTXYGAOUYUGO-INIZCTEOSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1Cl ZINC000009441024 562971175 /nfs/dbraw/zinc/97/11/75/562971175.db2.gz PZAQOPLVVLPOCK-GFCCVEGCSA-N 0 0 438.958 3.884 50 0 IHAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC1CCCC1 ZINC000009450208 562971366 /nfs/dbraw/zinc/97/13/66/562971366.db2.gz IYRSIBHLZFSZBG-SFTDATJTSA-N 0 0 443.588 3.548 50 0 IHAARN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)cc1 ZINC000009632226 562974483 /nfs/dbraw/zinc/97/44/83/562974483.db2.gz KJUFZKTXIPSXTJ-UHFFFAOYSA-N 0 0 442.459 3.973 50 0 IHAARN CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 ZINC000009723442 562976080 /nfs/dbraw/zinc/97/60/80/562976080.db2.gz HGSOTNSNRLLURC-UHFFFAOYSA-N 0 0 433.599 3.790 50 0 IHAARN COc1ccc(-n2ccnc(SCC(=O)NCc3ccc(C)cc3)c2=O)cc1Cl ZINC000009761402 562976608 /nfs/dbraw/zinc/97/66/08/562976608.db2.gz AQIPYCVEYGPOCN-UHFFFAOYSA-N 0 0 429.929 3.611 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009952351 562977783 /nfs/dbraw/zinc/97/77/83/562977783.db2.gz SCGXMOUXFSDHQD-HXUWFJFHSA-N 0 0 429.520 3.907 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1C ZINC000010286017 562978637 /nfs/dbraw/zinc/97/86/37/562978637.db2.gz QRFPVHRIVACNMM-KRWDZBQOSA-N 0 0 432.508 3.505 50 0 IHAARN Cc1ccc(CNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)o1 ZINC000015942937 563019785 /nfs/dbraw/zinc/01/97/85/563019785.db2.gz ZTDIKWHOOXVSKG-UHFFFAOYSA-N 0 0 433.512 3.505 50 0 IHAARN O=C(NC1CC1)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018229960 563022291 /nfs/dbraw/zinc/02/22/91/563022291.db2.gz ODSHDWNGNGISJL-XIGIHCPSSA-N 0 0 434.495 3.975 50 0 IHAARN Cc1ccc(CN2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)C[C@H]2CCO)o1 ZINC000036385616 563094470 /nfs/dbraw/zinc/09/44/70/563094470.db2.gz JCJYGIYSYSRSBR-JOCHJYFZSA-N 0 0 426.536 3.598 50 0 IHAARN CCCC(=O)OC[C@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982495 568622756 /nfs/dbraw/zinc/62/27/56/568622756.db2.gz RFLXVEGBDGGWDI-NHCUHLMSSA-N 0 0 428.504 3.525 50 0 IHAARN O=C(Nc1ccc(F)cc1)C1=C(Nc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O ZINC000015019232 568630218 /nfs/dbraw/zinc/63/02/18/568630218.db2.gz VWOJSJKXFVCBRG-UHFFFAOYSA-N 0 0 438.436 3.761 50 0 IHAARN Cc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc(=O)oc2c1 ZINC000018995086 568631207 /nfs/dbraw/zinc/63/12/07/568631207.db2.gz BKKLDGFMJUWXPB-UHFFFAOYSA-N 0 0 430.460 3.822 50 0 IHAARN O=C(COC(=O)c1ccc(O)cc1O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000019010402 568632032 /nfs/dbraw/zinc/63/20/32/568632032.db2.gz LLACOHMIYJNYQF-UHFFFAOYSA-N 0 0 438.505 3.823 50 0 IHAARN COc1ccc(CCNC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC ZINC000025091743 568636003 /nfs/dbraw/zinc/63/60/03/568636003.db2.gz HRZLMMXGLMNVQG-UHFFFAOYSA-N 0 0 442.541 3.514 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C ZINC000000924604 568637756 /nfs/dbraw/zinc/63/77/56/568637756.db2.gz TWKQJOBFHREPHV-UHFFFAOYSA-N 0 0 426.933 3.906 50 0 IHAARN CCOC(=O)c1ccc(-c2c(=O)c3cc(CC)c(OC(C)=O)cc3oc2C(=O)OCC)o1 ZINC000000939019 568639241 /nfs/dbraw/zinc/63/92/41/568639241.db2.gz ZCGJJIRLEJHZHC-UHFFFAOYSA-N 0 0 442.420 3.894 50 0 IHAARN CC(=O)OC[C@@]12C[C@@H](OC(C)=O)C[C@@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000254834728 568644859 /nfs/dbraw/zinc/64/48/59/568644859.db2.gz IHYPOAFAUZNFQR-KUTBYEMUSA-N 0 0 448.556 3.615 50 0 IHAARN CCCn1c2ccccc2c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 ZINC000000974290 568647739 /nfs/dbraw/zinc/64/77/39/568647739.db2.gz XNZOCGCNRYBSPS-UHFFFAOYSA-N 0 0 435.509 3.527 50 0 IHAARN O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000000990805 568648475 /nfs/dbraw/zinc/64/84/75/568648475.db2.gz GCPMASVWXVPWFK-UHFFFAOYSA-N 0 0 429.380 3.686 50 0 IHAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cc(OCC)c2O)C1=O ZINC000001008442 568650681 /nfs/dbraw/zinc/65/06/81/568650681.db2.gz ZPSMHHFYMDUNES-MRACZJACSA-N 0 0 444.303 3.541 50 0 IHAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000001006032 568650934 /nfs/dbraw/zinc/65/09/34/568650934.db2.gz LDLOOWKALYXVAH-UNOMPAQXSA-N 0 0 442.493 3.865 50 0 IHAARN CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000025318892 568653160 /nfs/dbraw/zinc/65/31/60/568653160.db2.gz NJTGQGCBNQOGPZ-HSZRJFAPSA-N 0 0 426.582 3.940 50 0 IHAARN COc1cccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 ZINC000001049548 568654338 /nfs/dbraw/zinc/65/43/38/568654338.db2.gz POXMPAMDGNTOMV-UHFFFAOYSA-N 0 0 433.489 3.810 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000025378996 568655371 /nfs/dbraw/zinc/65/53/71/568655371.db2.gz RZFATTRVUYHUML-QFIPXVFZSA-N 0 0 432.476 3.949 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 ZINC000001166367 568664574 /nfs/dbraw/zinc/66/45/74/568664574.db2.gz NMQYTXYQBSYVFT-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000001162388 568664667 /nfs/dbraw/zinc/66/46/67/568664667.db2.gz RNFQNJNTFDGPJH-UHFFFAOYSA-N 0 0 444.578 3.817 50 0 IHAARN COC(=O)[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000257346920 568730905 /nfs/dbraw/zinc/73/09/05/568730905.db2.gz FCBMOZHERSIGKF-WDNVTEBFSA-N 0 0 444.568 3.641 50 0 IHAARN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@]3(O)C(=O)C[C@@]12C ZINC000257348145 568731070 /nfs/dbraw/zinc/73/10/70/568731070.db2.gz BTCDWECIWQGRNF-JTGROWEPSA-N 0 0 434.573 3.823 50 0 IHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000025592536 568736736 /nfs/dbraw/zinc/73/67/36/568736736.db2.gz KMSIXEASKZXRAU-UHFFFAOYSA-N 0 0 428.366 3.955 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001203808 568737192 /nfs/dbraw/zinc/73/71/92/568737192.db2.gz DFJQLVFESVBKIF-UHFFFAOYSA-N 0 0 438.505 3.697 50 0 IHAARN O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000003212460 568742987 /nfs/dbraw/zinc/74/29/87/568742987.db2.gz MWETWNSKBPIWLJ-VBQJREDUSA-N 0 0 432.320 3.809 50 0 IHAARN CSc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000043943926 568743889 /nfs/dbraw/zinc/74/38/89/568743889.db2.gz DBYQSFBRIPTEGV-UHFFFAOYSA-N 0 0 444.532 3.546 50 0 IHAARN COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000043962036 568744564 /nfs/dbraw/zinc/74/45/64/568744564.db2.gz ABGFPNQGOWSKEP-UHFFFAOYSA-N 0 0 437.949 3.571 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000003290439 568745341 /nfs/dbraw/zinc/74/53/41/568745341.db2.gz NQMSPFLXTYDXHT-UHFFFAOYSA-N 0 0 439.537 3.960 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cccnc1Cl ZINC000003372085 568748096 /nfs/dbraw/zinc/74/80/96/568748096.db2.gz TVYUFGOYRQMABE-UHFFFAOYSA-N 0 0 426.885 3.817 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(C3CC3)n1-c1ccccc1)CCC2 ZINC000003395636 568748557 /nfs/dbraw/zinc/74/85/57/568748557.db2.gz MFMSJIVFNLOXAF-UHFFFAOYSA-N 0 0 439.566 3.525 50 0 IHAARN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000003427718 568748886 /nfs/dbraw/zinc/74/88/86/568748886.db2.gz JZJCYMRXQMUFKP-UHFFFAOYSA-N 0 0 432.889 3.539 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2C1=O ZINC000003475618 568749947 /nfs/dbraw/zinc/74/99/47/568749947.db2.gz OQJHUWATHGEELM-IRXDYDNUSA-N 0 0 434.492 3.742 50 0 IHAARN Cc1occc1-c1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1Cc1ccccc1 ZINC000003533663 568750543 /nfs/dbraw/zinc/75/05/43/568750543.db2.gz VPWGNWYOXSHXRZ-UHFFFAOYSA-N 0 0 427.530 3.611 50 0 IHAARN C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000003559191 568750629 /nfs/dbraw/zinc/75/06/29/568750629.db2.gz KOHKKJKOHYHPFI-SECBINFHSA-N 0 0 434.272 3.720 50 0 IHAARN COc1ccc([C@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)Cc2ccccc2)cc1 ZINC000003623350 568751699 /nfs/dbraw/zinc/75/16/99/568751699.db2.gz UPHIIPGILDJRTG-QHCPKHFHSA-N 0 0 431.488 3.911 50 0 IHAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000003643664 568752369 /nfs/dbraw/zinc/75/23/69/568752369.db2.gz WJYJOLSNDUGWKA-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN O=C([C@H]1CC12CCN(C(=O)[C@H]1CC(=O)c3ccccc31)CC2)N1CCc2ccccc2C1 ZINC000299761992 568755899 /nfs/dbraw/zinc/75/58/99/568755899.db2.gz CQLRFYQFDJMFJT-XZOQPEGZSA-N 0 0 428.532 3.570 50 0 IHAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000015390626 568761358 /nfs/dbraw/zinc/76/13/58/568761358.db2.gz XAFXHMWHSOOFGU-UHFFFAOYSA-N 0 0 425.242 3.697 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000015391075 568761413 /nfs/dbraw/zinc/76/14/13/568761413.db2.gz QENKIIZSYXZNBZ-GOSISDBHSA-N 0 0 436.961 3.598 50 0 IHAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1c(F)cccc1F ZINC000015391046 568761421 /nfs/dbraw/zinc/76/14/21/568761421.db2.gz OZNVMCFLYBNBSC-OAHLLOKOSA-N 0 0 442.915 3.868 50 0 IHAARN Cc1ccccc1NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263616384 568776566 /nfs/dbraw/zinc/77/65/66/568776566.db2.gz IJZLYKYYONOXQP-HSZRJFAPSA-N 0 0 444.535 3.954 50 0 IHAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1cccc(Br)c1 ZINC000263617578 568777292 /nfs/dbraw/zinc/77/72/92/568777292.db2.gz ONNJOYFAUGRKGB-UHFFFAOYSA-N 0 0 428.261 3.605 50 0 IHAARN Cc1ccc(-c2nn3ccn(Cc4ccccc4OC(F)(F)F)c(=O)c3c2CO)cc1 ZINC000263618343 568778234 /nfs/dbraw/zinc/77/82/34/568778234.db2.gz SMUCRYBWNHFWAW-UHFFFAOYSA-N 0 0 429.398 3.911 50 0 IHAARN Cc1ccc(-c2nn3ccn(Cc4ccc(Br)cc4F)c(=O)c3c2CO)cc1 ZINC000263618221 568778236 /nfs/dbraw/zinc/77/82/36/568778236.db2.gz RUDXTKVEUTUZDT-UHFFFAOYSA-N 0 0 442.288 3.914 50 0 IHAARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)nn12 ZINC000004125383 568780881 /nfs/dbraw/zinc/78/08/81/568780881.db2.gz BWOUYBXFILHXOY-UHFFFAOYSA-N 0 0 440.529 3.990 50 0 IHAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000004127340 568781092 /nfs/dbraw/zinc/78/10/92/568781092.db2.gz OXHIKTRZTJORNN-OITRNQOZSA-N 0 0 431.495 4.000 50 0 IHAARN COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1OC ZINC000001363020 568782166 /nfs/dbraw/zinc/78/21/66/568782166.db2.gz KORIJNDJSVWMKV-QGZVFWFLSA-N 0 0 443.525 3.631 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccccc5)no4)n3n2)cc1 ZINC000045972023 568783842 /nfs/dbraw/zinc/78/38/42/568783842.db2.gz ZCRSWTLCUMFUJT-UHFFFAOYSA-N 0 0 446.492 3.826 50 0 IHAARN CCOC(=O)c1cc2c(ccn(CCOC(=O)c3cccc(C(F)(F)F)c3)c2=O)nc1C ZINC000001385394 568784307 /nfs/dbraw/zinc/78/43/07/568784307.db2.gz ZYGUCVMCGILPOG-UHFFFAOYSA-N 0 0 448.397 3.757 50 0 IHAARN COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](CC3CCCCC3)N21 ZINC000001394602 568785511 /nfs/dbraw/zinc/78/55/11/568785511.db2.gz YPSKXEVZMGXNID-INIZCTEOSA-N 0 0 445.541 3.539 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)cc1 ZINC000001394918 568785559 /nfs/dbraw/zinc/78/55/59/568785559.db2.gz CXJVOAOOBRMMQG-UHFFFAOYSA-N 0 0 449.454 3.668 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3CC(=O)c3ccco3)s2)cc1 ZINC000083949955 568786753 /nfs/dbraw/zinc/78/67/53/568786753.db2.gz TTZGQUZYFJHRJE-HNNXBMFYSA-N 0 0 426.498 3.629 50 0 IHAARN Cc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001410890 568787833 /nfs/dbraw/zinc/78/78/33/568787833.db2.gz GOPZXTLMARSRLS-UHFFFAOYSA-N 0 0 426.513 3.954 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)ccc1C ZINC000016648452 568791095 /nfs/dbraw/zinc/79/10/95/568791095.db2.gz QNKFQDDDXVMXFA-ZDUSSCGKSA-N 0 0 426.423 3.655 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000025922439 568793755 /nfs/dbraw/zinc/79/37/55/568793755.db2.gz DQZXEYWKGBLMIF-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN Cc1ccc(F)c2c1CCCN2CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000084147889 568794989 /nfs/dbraw/zinc/79/49/89/568794989.db2.gz PQJBEEXBQLLNFQ-UHFFFAOYSA-N 0 0 427.545 3.714 50 0 IHAARN Cn1c2ccccc2c2c(c1=O)[C@H](c1cccc(I)c1)CC(=O)O2 ZINC000001431770 568795070 /nfs/dbraw/zinc/79/50/70/568795070.db2.gz QBKMNOILNHIRBZ-AWEZNQCLSA-N 0 0 431.229 3.584 50 0 IHAARN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000084148656 568795261 /nfs/dbraw/zinc/79/52/61/568795261.db2.gz IHNUACMOVHBJPK-YADHBBJMSA-N 0 0 434.458 3.826 50 0 IHAARN NC(=O)CC1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 ZINC000084358101 568797223 /nfs/dbraw/zinc/79/72/23/568797223.db2.gz QPAFPKZREIKXNN-UHFFFAOYSA-N 0 0 436.281 3.503 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2)cc1 ZINC000015541641 568797301 /nfs/dbraw/zinc/79/73/01/568797301.db2.gz ZJYWIGFLXCDTGU-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN O=C(CCNC(=O)N1CCO[C@H](c2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000084525593 568798427 /nfs/dbraw/zinc/79/84/27/568798427.db2.gz DQMMXHPBBAJRGJ-SFHVURJKSA-N 0 0 432.318 3.561 50 0 IHAARN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000084578838 568798851 /nfs/dbraw/zinc/79/88/51/568798851.db2.gz PIBWENBSGSXRQX-GOSISDBHSA-N 0 0 432.442 3.996 50 0 IHAARN O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000084595006 568799033 /nfs/dbraw/zinc/79/90/33/568799033.db2.gz KVNHLXSVQYEYTD-MJGOQNOKSA-N 0 0 426.513 3.742 50 0 IHAARN C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000084678315 568799815 /nfs/dbraw/zinc/79/98/15/568799815.db2.gz UGVTWHMTDWFFFF-BZNIZROVSA-N 0 0 449.364 3.935 50 0 IHAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nn(-c3ncccn3)cc2Br)cc1 ZINC000084726840 568800391 /nfs/dbraw/zinc/80/03/91/568800391.db2.gz IWPFIAFKNPXWNB-LBPRGKRZSA-N 0 0 436.335 3.739 50 0 IHAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)c(Br)s1 ZINC000015645407 568800687 /nfs/dbraw/zinc/80/06/87/568800687.db2.gz UBHBWAXDMQPPFQ-UHFFFAOYSA-N 0 0 429.097 3.501 50 0 IHAARN CCOC(=O)CCN(Cc1cccnc1)c1nc(C)nc2sc(C(=O)OCC)c(C)c21 ZINC000084793441 568801514 /nfs/dbraw/zinc/80/15/14/568801514.db2.gz ZTKSTTADHVWNCK-UHFFFAOYSA-N 0 0 442.541 3.840 50 0 IHAARN CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3ccn(CC(=O)NC)c3c1)O[C@@H](C)C2 ZINC000084805185 568801722 /nfs/dbraw/zinc/80/17/22/568801722.db2.gz GDRAINAUOOONGS-BVBGJJFLSA-N 0 0 433.508 3.761 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000015670632 568802589 /nfs/dbraw/zinc/80/25/89/568802589.db2.gz LTDOSGNLMWNGKA-INIZCTEOSA-N 0 0 436.397 3.924 50 0 IHAARN CC[C@@H](C)[N@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccco1 ZINC000015677601 568804577 /nfs/dbraw/zinc/80/45/77/568804577.db2.gz NRJXSMXMPJLDKY-GOSISDBHSA-N 0 0 436.556 3.746 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)CN3c4ccccc4Oc4ncccc4C3=O)CC2)c1 ZINC000015679960 568805803 /nfs/dbraw/zinc/80/58/03/568805803.db2.gz QGOPTKOEKYQKQH-UHFFFAOYSA-N 0 0 442.519 3.800 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000015681057 568806414 /nfs/dbraw/zinc/80/64/14/568806414.db2.gz CYDOTOAMZSIGDC-UHFFFAOYSA-N 0 0 429.498 3.943 50 0 IHAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C)CC3)n2)cc1OC ZINC000015726399 568812539 /nfs/dbraw/zinc/81/25/39/568812539.db2.gz LYFHLSQYWAHRCR-UHFFFAOYSA-N 0 0 436.512 3.913 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(OC)c1 ZINC000015730559 568814148 /nfs/dbraw/zinc/81/41/48/568814148.db2.gz UJIIRYPELCKJCS-JTQLQIEISA-N 0 0 442.946 3.981 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)cc1OC ZINC000015732490 568815321 /nfs/dbraw/zinc/81/53/21/568815321.db2.gz RZXKLBBKMPFPSM-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN COc1ccc(C2=NS(=O)(=O)c3cc(NC(=O)C(C)C)ccc3N2CC(C)C)cc1 ZINC000085411328 568817981 /nfs/dbraw/zinc/81/79/81/568817981.db2.gz OEBXVBLZEWGURN-UHFFFAOYSA-N 0 0 429.542 3.901 50 0 IHAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(OC)c1OCc1ccccc1F ZINC000085413602 568818803 /nfs/dbraw/zinc/81/88/03/568818803.db2.gz GXQQVEWWWFSXQW-UGKGYDQZSA-N 0 0 440.423 3.741 50 0 IHAARN CCc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768839 568822064 /nfs/dbraw/zinc/82/20/64/568822064.db2.gz ZGDWJVSULHUHJT-INIZCTEOSA-N 0 0 440.565 3.739 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2=O)s1 ZINC000015771616 568822527 /nfs/dbraw/zinc/82/25/27/568822527.db2.gz WQAUDJAFJSORSP-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN CC(C)c1nn2c(nc(COC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2=O)s1 ZINC000015771579 568822535 /nfs/dbraw/zinc/82/25/35/568822535.db2.gz AGLIRXBMNBRRMC-UHFFFAOYSA-N 0 0 428.514 3.616 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccco2)cc1 ZINC000015781101 568825555 /nfs/dbraw/zinc/82/55/55/568825555.db2.gz IPBVBPRGUNIYOY-HXUWFJFHSA-N 0 0 449.912 3.652 50 0 IHAARN COc1cc(OC)cc(-c2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)c1 ZINC000085643793 568829103 /nfs/dbraw/zinc/82/91/03/568829103.db2.gz MYOYPKICPHHYQT-UHFFFAOYSA-N 0 0 426.450 3.988 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cnn(-c3ccc(C)cc3)c2)C[C@H]1CCO ZINC000104519254 568837526 /nfs/dbraw/zinc/83/75/26/568837526.db2.gz AMSZZSSVNKECGN-RUZDIDTESA-N 0 0 434.584 3.648 50 0 IHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(Br)ccc3OC)N2C1=O ZINC000001019865 568838140 /nfs/dbraw/zinc/83/81/40/568838140.db2.gz GSDZNLHIGOLTGL-ZFWWWQNUSA-N 0 0 439.331 3.669 50 0 IHAARN C[C@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2cc(F)ccc2F)C1=O ZINC000015827212 568841117 /nfs/dbraw/zinc/84/11/17/568841117.db2.gz MXLHXXJCEUNXSQ-AWEZNQCLSA-N 0 0 449.479 3.501 50 0 IHAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000004543076 568841777 /nfs/dbraw/zinc/84/17/77/568841777.db2.gz MZGVLPUBHKJFOJ-KEZOAJOQSA-N 0 0 435.483 3.757 50 0 IHAARN O=C(NC(=S)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1F ZINC000006146890 568846264 /nfs/dbraw/zinc/84/62/64/568846264.db2.gz XBTWQQWTZCWSAQ-UHFFFAOYSA-N 0 0 447.488 3.892 50 0 IHAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2n1-c1ccccc1 ZINC000006147791 568846449 /nfs/dbraw/zinc/84/64/49/568846449.db2.gz SWJLEYLZMPRBBI-UHFFFAOYSA-N 0 0 434.521 3.837 50 0 IHAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)C1=O ZINC000015858677 568846758 /nfs/dbraw/zinc/84/67/58/568846758.db2.gz JSCDCZJZWCRNHR-UHFFFAOYSA-N 0 0 441.553 3.632 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864361 568849273 /nfs/dbraw/zinc/84/92/73/568849273.db2.gz DMQLYXJGAWZCOR-UHFFFAOYSA-N 0 0 429.520 3.926 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)c(C)n2n1 ZINC000026109124 568849755 /nfs/dbraw/zinc/84/97/55/568849755.db2.gz FUZXRWIQVXEJSX-UHFFFAOYSA-N 0 0 445.567 3.671 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000015865479 568850462 /nfs/dbraw/zinc/85/04/62/568850462.db2.gz IMBDZVCHANWXSO-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4cccc(OC)c4)CC3)[nH]c2c1 ZINC000015868638 568852211 /nfs/dbraw/zinc/85/22/11/568852211.db2.gz ZCJHAMWYAFPLAK-KRWDZBQOSA-N 0 0 449.551 3.990 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nn1 ZINC000015880806 568854287 /nfs/dbraw/zinc/85/42/87/568854287.db2.gz JXFQHBUWGMYNET-UHFFFAOYSA-N 0 0 432.299 3.562 50 0 IHAARN COc1cc(C(=O)N2CCN(c3nc4c(ccc(C)c4C)s3)CC2)cc(OC)c1OC ZINC000015882464 568856793 /nfs/dbraw/zinc/85/67/93/568856793.db2.gz AVJSWWFXMJLLBG-UHFFFAOYSA-N 0 0 441.553 3.901 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1Cl ZINC000015882759 568857266 /nfs/dbraw/zinc/85/72/66/568857266.db2.gz WEJVFUPFHDXSRY-UHFFFAOYSA-N 0 0 440.956 3.868 50 0 IHAARN O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000015883291 568857389 /nfs/dbraw/zinc/85/73/89/568857389.db2.gz KYZDXPQJYFFTHB-UHFFFAOYSA-N 0 0 442.494 3.546 50 0 IHAARN O=C(CCn1ccc2ccc(Br)cc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000015894338 568858240 /nfs/dbraw/zinc/85/82/40/568858240.db2.gz ZTBJTNZXYAYXLK-DOTOQJQBSA-N 0 0 440.341 3.602 50 0 biogenic IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC(F)F)cc2)c1 ZINC000015913816 568858732 /nfs/dbraw/zinc/85/87/32/568858732.db2.gz NEJOGNXKNBGRAL-GOSISDBHSA-N 0 0 449.479 3.737 50 0 IHAARN O=c1cc(CN2CCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)nc2sccn21 ZINC000026137673 568860639 /nfs/dbraw/zinc/86/06/39/568860639.db2.gz IBOVIDJJPDUQTN-UHFFFAOYSA-N 0 0 445.470 3.645 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1F ZINC000012940011 568868389 /nfs/dbraw/zinc/86/83/89/568868389.db2.gz LXKDTXXNMIPXNI-GOSISDBHSA-N 0 0 447.580 3.872 50 0 IHAARN CCCCc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000012939920 568868416 /nfs/dbraw/zinc/86/84/16/568868416.db2.gz AESDPFVTUWSBQP-QFIPXVFZSA-N 0 0 449.551 3.717 50 0 IHAARN CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CCSCC1 ZINC000575443521 568869492 /nfs/dbraw/zinc/86/94/92/568869492.db2.gz BVCLHOQFLAYLHO-UHFFFAOYSA-N 0 0 436.581 3.536 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000016086653 568870115 /nfs/dbraw/zinc/87/01/15/568870115.db2.gz XEMVWJPGJKWGJY-UHFFFAOYSA-N 0 0 432.723 3.694 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(CC(F)(F)F)CC3)cc12 ZINC000012943584 568870470 /nfs/dbraw/zinc/87/04/70/568870470.db2.gz SYFURHDJMLGZQQ-UHFFFAOYSA-N 0 0 440.466 3.914 50 0 IHAARN O=C(Nc1ccccc1F)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000012948266 568871605 /nfs/dbraw/zinc/87/16/05/568871605.db2.gz ALYDVEPDPCMTBM-RUZDIDTESA-N 0 0 429.451 3.944 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)NC[C@@H]1CCCO1 ZINC000016220319 568873448 /nfs/dbraw/zinc/87/34/48/568873448.db2.gz UWPKTHBEIKCKGQ-INIZCTEOSA-N 0 0 439.990 3.915 50 0 IHAARN COc1cc(I)c(Cl)cc1C(=O)NCc1ccc(F)c(CO)c1 ZINC000089420784 568924462 /nfs/dbraw/zinc/92/44/62/568924462.db2.gz SFOXSXOOLMVNOJ-UHFFFAOYSA-N 0 0 449.647 3.515 50 0 IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)cs2)ccc1OC ZINC000009868091 568884304 /nfs/dbraw/zinc/88/43/04/568884304.db2.gz VQENGANDQFOATB-UHFFFAOYSA-N 0 0 445.566 3.923 50 0 IHAARN COc1cc(OC)cc(C(=O)NC2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c1 ZINC000090591657 568888739 /nfs/dbraw/zinc/88/87/39/568888739.db2.gz PTCBVPWJCODEAQ-UHFFFAOYSA-N 0 0 436.487 3.699 50 0 IHAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)C[C@H]1CSc2nc(C)c(C)c(=O)n21 ZINC000090592976 568888920 /nfs/dbraw/zinc/88/89/20/568888920.db2.gz YQDDFQWZLDICQY-AWEZNQCLSA-N 0 0 444.557 3.784 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594114 568889086 /nfs/dbraw/zinc/88/90/86/568889086.db2.gz QZCOXKJCLSVEPZ-UHFFFAOYSA-N 0 0 449.410 3.513 50 0 IHAARN Cc1c(CNC(=O)COc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593745 568889134 /nfs/dbraw/zinc/88/91/34/568889134.db2.gz YHHFMQKPFLAYSS-UHFFFAOYSA-N 0 0 439.468 3.934 50 0 IHAARN COc1ccc(Cn2c(=O)c3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1F ZINC000090610268 568892303 /nfs/dbraw/zinc/89/23/03/568892303.db2.gz KDRYBLLKKMESHA-UHFFFAOYSA-N 0 0 444.510 3.919 50 0 IHAARN CC(C)c1nnc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)s1 ZINC000026601783 568892764 /nfs/dbraw/zinc/89/27/64/568892764.db2.gz UBUVPQWDLRUPSJ-QGZVFWFLSA-N 0 0 432.571 3.756 50 0 IHAARN CC(C)CCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc2C1=O ZINC000012985956 568895681 /nfs/dbraw/zinc/89/56/81/568895681.db2.gz YAVBVIYDQHSDLD-UHFFFAOYSA-N 0 0 433.508 3.607 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C=Cc1cccc(Cl)c1 ZINC000032999603 568895808 /nfs/dbraw/zinc/89/58/08/568895808.db2.gz CCWWZTCPWIKXSM-CMDGGOBGSA-N 0 0 427.888 3.656 50 0 IHAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C=Cc1ccccc1Cl ZINC000032999602 568895969 /nfs/dbraw/zinc/89/59/69/568895969.db2.gz SBXCVPYXSBAKKT-MDZDMXLPSA-N 0 0 427.888 3.656 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(I)cc1 ZINC000013012079 568901020 /nfs/dbraw/zinc/90/10/20/568901020.db2.gz ZQKYUQZEIMRRHG-CYBMUJFWSA-N 0 0 432.265 3.705 50 0 IHAARN C[C@H](NC(=O)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000013011325 568901171 /nfs/dbraw/zinc/90/11/71/568901171.db2.gz AWKDYEOKDJIXMV-ROUUACIJSA-N 0 0 428.598 3.839 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000013012503 568901254 /nfs/dbraw/zinc/90/12/54/568901254.db2.gz VTWPDLXQVNGECA-UHFFFAOYSA-N 0 0 425.491 3.618 50 0 IHAARN COC(=O)c1sccc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000013019491 568902078 /nfs/dbraw/zinc/90/20/78/568902078.db2.gz JIWQIGRNGNFRPY-UHFFFAOYSA-N 0 0 437.399 3.660 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H]1CCCc3c4ccccc4[nH]c31)C=C2 ZINC000524729140 568903668 /nfs/dbraw/zinc/90/36/68/568903668.db2.gz FUIOUNLGTBJHJW-NRFANRHFSA-N 0 0 445.519 3.734 50 0 biogenic IHAARN CC(C)n1cccc1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524730154 568903840 /nfs/dbraw/zinc/90/38/40/568903840.db2.gz XOEIOMABOHYAEE-HSZRJFAPSA-N 0 0 428.492 3.500 50 0 biogenic IHAARN O=C([C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000238900231 568910297 /nfs/dbraw/zinc/91/02/97/568910297.db2.gz ICFKFQAZQLROIU-MEMLXQNLSA-N 0 0 430.552 3.552 50 0 IHAARN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CCN(Cc3csc4ccccc34)CC1)C2=O ZINC000241946743 568912610 /nfs/dbraw/zinc/91/26/10/568912610.db2.gz UNNUTSFNDHWWMU-PFWHTEFJSA-N 0 0 440.613 3.723 50 0 IHAARN COc1ccccc1NC(=O)c1c(C(=O)Nc2ccccc2)sc2nc(C)cc(=O)n21 ZINC000001907067 568919510 /nfs/dbraw/zinc/91/95/10/568919510.db2.gz FIKQGAMBXIOTJR-UHFFFAOYSA-N 0 0 434.477 3.578 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O ZINC000001917053 568922642 /nfs/dbraw/zinc/92/26/42/568922642.db2.gz NWXGGAGVAJEKAN-GOSISDBHSA-N 0 0 448.397 3.508 50 0 IHAARN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917023 568922714 /nfs/dbraw/zinc/92/27/14/568922714.db2.gz SSQZVKHNFDRTPE-QFIPXVFZSA-N 0 0 436.508 3.614 50 0 IHAARN CCOc1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N(C)C)n2)cc1OC ZINC000252600779 568925945 /nfs/dbraw/zinc/92/59/45/568925945.db2.gz DUVDEAZSBYUBJU-UHFFFAOYSA-N 0 0 425.468 3.674 50 0 IHAARN CC(C)CNC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450152 568929086 /nfs/dbraw/zinc/92/90/86/568929086.db2.gz XIWXJLBSYBJZAO-UHFFFAOYSA-N 0 0 430.350 3.738 50 0 IHAARN Cn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)Cc1cccs1)C2 ZINC000064566545 568933558 /nfs/dbraw/zinc/93/35/58/568933558.db2.gz QNOSCQYACVOWAN-UHFFFAOYSA-N 0 0 439.928 3.979 50 0 IHAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 ZINC000064579702 568934181 /nfs/dbraw/zinc/93/41/81/568934181.db2.gz VLGJCAOCMZJQQR-UHFFFAOYSA-N 0 0 444.447 3.529 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000064580467 568934461 /nfs/dbraw/zinc/93/44/61/568934461.db2.gz DRSHPGWDIIEVCB-MRXNPFEDSA-N 0 0 437.565 3.918 50 0 IHAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000064580469 568934548 /nfs/dbraw/zinc/93/45/48/568934548.db2.gz XVCQHNZFGYLLGP-UHFFFAOYSA-N 0 0 427.501 3.818 50 0 IHAARN CCOc1ccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1OC ZINC000064581047 568934653 /nfs/dbraw/zinc/93/46/53/568934653.db2.gz ZBSOOOQWJOUTCG-UHFFFAOYSA-N 0 0 430.302 3.972 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000064593343 568935920 /nfs/dbraw/zinc/93/59/20/568935920.db2.gz BTXKMQWMTWWWLM-UHFFFAOYSA-N 0 0 443.891 3.712 50 0 IHAARN COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4cccc(Cl)c4C)ccn23)c1 ZINC000064593735 568935988 /nfs/dbraw/zinc/93/59/88/568935988.db2.gz IUMXRRYHDVNKRE-UHFFFAOYSA-N 0 0 440.912 3.826 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccccc1F ZINC000016689872 568938365 /nfs/dbraw/zinc/93/83/65/568938365.db2.gz CTKUSTYJMVFUKN-FQEVSTJZSA-N 0 0 434.467 3.602 50 0 IHAARN CCc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 ZINC000006637709 568942401 /nfs/dbraw/zinc/94/24/01/568942401.db2.gz GOBOZOFYDOBGHT-UHFFFAOYSA-N 0 0 431.602 3.658 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cc(C)c(C)cc2N1 ZINC000064661200 568942535 /nfs/dbraw/zinc/94/25/35/568942535.db2.gz GTYDOZUUVSWACM-UHFFFAOYSA-N 0 0 427.888 3.801 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(F)c(C)c2)c2cc(C)c(C)cc2N1 ZINC000064661212 568942573 /nfs/dbraw/zinc/94/25/73/568942573.db2.gz COXVTUGNMOCQSO-UHFFFAOYSA-N 0 0 425.460 3.595 50 0 IHAARN O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036067066 568945146 /nfs/dbraw/zinc/94/51/46/568945146.db2.gz JCUJMZXRWAYJBY-OAQYLSRUSA-N 0 0 429.948 3.881 50 0 IHAARN CCN1CCN(c2nn3c(nc(-c4ccc(N(C)C)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746068 568949375 /nfs/dbraw/zinc/94/93/75/568949375.db2.gz ZIAPABJWUGFGHQ-UHFFFAOYSA-N 0 0 427.622 3.876 50 0 IHAARN CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000064747156 568949908 /nfs/dbraw/zinc/94/99/08/568949908.db2.gz MCXBGGRDJYLAKD-QGZVFWFLSA-N 0 0 436.434 3.677 50 0 IHAARN COc1cccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 ZINC000064755955 568951395 /nfs/dbraw/zinc/95/13/95/568951395.db2.gz KFMYVIROWYFDRN-UHFFFAOYSA-N 0 0 436.531 3.918 50 0 IHAARN COCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)NCc3ccncc3)c(C)n21 ZINC000064761283 568952187 /nfs/dbraw/zinc/95/21/87/568952187.db2.gz LWHNFQBACDNXBX-UHFFFAOYSA-N 0 0 439.516 3.894 50 0 IHAARN CC[C@@H](C(=O)NCCc1ccc(SC)cc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787550 568956237 /nfs/dbraw/zinc/95/62/37/568956237.db2.gz IMVMNIKMFZXAMV-FQEVSTJZSA-N 0 0 434.565 3.920 50 0 IHAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2cccc4ccccc42)OCC3)c(=O)n(C)c1=O ZINC000064788089 568956458 /nfs/dbraw/zinc/95/64/58/568956458.db2.gz HRXIVSVTFLFNJG-RUZDIDTESA-N 0 0 437.499 3.979 50 0 IHAARN CCc1ccc([C@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788222 568956598 /nfs/dbraw/zinc/95/65/98/568956598.db2.gz KNWDUJLSURXMAA-XMMPIXPASA-N 0 0 429.520 3.696 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000036120756 568957531 /nfs/dbraw/zinc/95/75/31/568957531.db2.gz XXXHTGINZXUIDG-HXUWFJFHSA-N 0 0 448.560 3.523 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)COC ZINC000036120890 568957627 /nfs/dbraw/zinc/95/76/27/568957627.db2.gz DXCXJIWIJWYLJG-JXFKEZNVSA-N 0 0 448.560 3.666 50 0 IHAARN COc1ccccc1CN(C(=O)c1ccc(Cl)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000064791898 568959080 /nfs/dbraw/zinc/95/90/80/568959080.db2.gz BZZUDAFOSRCDMQ-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN COc1ccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)cc1 ZINC000064792504 568959360 /nfs/dbraw/zinc/95/93/60/568959360.db2.gz JGZQFJDGTPWGPS-QHCPKHFHSA-N 0 0 438.491 3.771 50 0 IHAARN Cc1ccc([C@H]2C=C(c3ccccc3)N(CC(=O)NC3CCCCC3)c3nnnn32)cc1 ZINC000064793187 568959634 /nfs/dbraw/zinc/95/96/34/568959634.db2.gz YNNCELSGTYIHKC-HSZRJFAPSA-N 0 0 428.540 3.881 50 0 IHAARN Nc1c2cccnc2sc1-c1nnc(SCC(=O)NC2CC2)n1-c1ccc(F)cc1 ZINC000064793962 568959704 /nfs/dbraw/zinc/95/97/04/568959704.db2.gz QRULHSBMDFWARQ-UHFFFAOYSA-N 0 0 440.529 3.636 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1sc2ncccc2c1N ZINC000064794202 568959968 /nfs/dbraw/zinc/95/99/68/568959968.db2.gz MONRHJQOHXFFHS-UHFFFAOYSA-N 0 0 440.554 3.896 50 0 IHAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000064799988 568961258 /nfs/dbraw/zinc/96/12/58/568961258.db2.gz YXGSSLZEBUPKPB-UHFFFAOYSA-N 0 0 431.496 3.528 50 0 IHAARN COCCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816742 568964351 /nfs/dbraw/zinc/96/43/51/568964351.db2.gz MGPTURJZPCZQKE-UHFFFAOYSA-N 0 0 438.915 3.517 50 0 IHAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2Cc1ccc(Cl)cc1 ZINC000064817647 568964934 /nfs/dbraw/zinc/96/49/34/568964934.db2.gz PUIRIOOTMPGOSQ-UHFFFAOYSA-N 0 0 426.879 3.577 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(F)cc2)c3=O)o1 ZINC000064819407 568966211 /nfs/dbraw/zinc/96/62/11/568966211.db2.gz OJFQWNLIWARHHF-UHFFFAOYSA-N 0 0 446.482 3.956 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C(C)C)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167490 568967625 /nfs/dbraw/zinc/96/76/25/568967625.db2.gz FNELDVAYILBSSC-JOCHJYFZSA-N 0 0 432.492 3.904 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNc3ccc(OCC)cc3)cc21 ZINC000006732833 568968650 /nfs/dbraw/zinc/96/86/50/568968650.db2.gz IIGOYALHOSWJOX-GOSISDBHSA-N 0 0 426.513 3.914 50 0 IHAARN C[C@@H](C(=O)NCc1cccc(Br)c1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839654 568969711 /nfs/dbraw/zinc/96/97/11/568969711.db2.gz ZAQZEEVPXULKBL-ZDUSSCGKSA-N 0 0 439.313 3.528 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838442 568970071 /nfs/dbraw/zinc/97/00/71/568970071.db2.gz RTASOASLNAFEIK-UHFFFAOYSA-N 0 0 430.913 3.590 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 ZINC000064838578 568970096 /nfs/dbraw/zinc/97/00/96/568970096.db2.gz LUTGVPHPVBTROV-UHFFFAOYSA-N 0 0 442.512 3.693 50 0 IHAARN Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cc(C)c(C)cc2C)no1 ZINC000064841759 568970400 /nfs/dbraw/zinc/97/04/00/568970400.db2.gz PJUONISAQRSDSC-UHFFFAOYSA-N 0 0 429.542 3.745 50 0 IHAARN Cc1c(Cl)cccc1S(=O)(=O)N(C)CCc1noc(COc2ccccc2F)n1 ZINC000064841976 568970742 /nfs/dbraw/zinc/97/07/42/568970742.db2.gz RHYPQBIPERHHAJ-UHFFFAOYSA-N 0 0 439.896 3.613 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)c1 ZINC000064847263 568972269 /nfs/dbraw/zinc/97/22/69/568972269.db2.gz FNMUVUAZCZOUPB-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210026 568974426 /nfs/dbraw/zinc/97/44/26/568974426.db2.gz ZYXVULJWJNNXHM-HRAATJIYSA-N 0 0 435.996 3.638 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccccc1C ZINC000064867033 568974812 /nfs/dbraw/zinc/97/48/12/568974812.db2.gz DSBWBVJZOZMHSA-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210650 568975002 /nfs/dbraw/zinc/97/50/02/568975002.db2.gz MQPACAOOYUAPJF-AUSIDOKSSA-N 0 0 435.568 3.561 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)c(OC)c4)sc3C2)cc1 ZINC000064868342 568975556 /nfs/dbraw/zinc/97/55/56/568975556.db2.gz GYWXBAPDWDOMNN-UHFFFAOYSA-N 0 0 446.550 3.583 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036213185 568976852 /nfs/dbraw/zinc/97/68/52/568976852.db2.gz BYESFYAALAXSMD-HYBUGGRVSA-N 0 0 449.595 3.869 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036213468 568977428 /nfs/dbraw/zinc/97/74/28/568977428.db2.gz KRRUYOKJZNESOA-DEOSSOPVSA-N 0 0 447.579 3.577 50 0 IHAARN C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000036240204 568981505 /nfs/dbraw/zinc/98/15/05/568981505.db2.gz IRWQMJUEJURZDX-NSHDSACASA-N 0 0 435.263 3.831 50 0 IHAARN C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000036240206 568981511 /nfs/dbraw/zinc/98/15/11/568981511.db2.gz IRWQMJUEJURZDX-LLVKDONJSA-N 0 0 435.263 3.831 50 0 IHAARN CC(C)CC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036249284 568983192 /nfs/dbraw/zinc/98/31/92/568983192.db2.gz XWZPPZOLLTUBQK-HXUWFJFHSA-N 0 0 445.535 3.871 50 0 IHAARN CCc1ccc(C(=O)N2CCN([C@H](C(=O)N3CCC(C)CC3)C3CCCC3)CC2)cc1 ZINC000036250478 568983764 /nfs/dbraw/zinc/98/37/64/568983764.db2.gz BNYJLLXBRTWTCN-DEOSSOPVSA-N 0 0 425.617 3.824 50 0 IHAARN O=C(NCc1ccco1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036251761 568984134 /nfs/dbraw/zinc/98/41/34/568984134.db2.gz CEIOSZXTYOZPNO-OAQYLSRUSA-N 0 0 429.948 3.566 50 0 IHAARN CCCCc1ccc(C(=O)N2CCN([C@H](C(=O)NCC3CC3)C3CCCC3)CC2)cc1 ZINC000036254538 568984704 /nfs/dbraw/zinc/98/47/04/568984704.db2.gz CPHACTQPBSWWCR-DEOSSOPVSA-N 0 0 425.617 3.872 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036254832 568984831 /nfs/dbraw/zinc/98/48/31/568984831.db2.gz MOQCVHGZIJPFTB-QHCPKHFHSA-N 0 0 441.522 3.598 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254840 568984849 /nfs/dbraw/zinc/98/48/49/568984849.db2.gz VINQTVTZJYBOFP-QHCPKHFHSA-N 0 0 441.522 3.598 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000064924737 568986242 /nfs/dbraw/zinc/98/62/42/568986242.db2.gz RANBHQXGFPWVON-UHFFFAOYSA-N 0 0 446.599 3.951 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nn(-c2cc(N(C)C)ncn2)c1C ZINC000064925257 568986408 /nfs/dbraw/zinc/98/64/08/568986408.db2.gz XCYUDKVCQFAPCN-UHFFFAOYSA-N 0 0 442.951 3.887 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925457 568986631 /nfs/dbraw/zinc/98/66/31/568986631.db2.gz HVANXDNKWHYFQO-UHFFFAOYSA-N 0 0 438.285 3.517 50 0 IHAARN O=C(NC1CCCCCCC1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927565 568986641 /nfs/dbraw/zinc/98/66/41/568986641.db2.gz ABAXGWRIVXBITH-UHFFFAOYSA-N 0 0 426.536 3.817 50 0 IHAARN O=C(COc1ccccc1)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930053 568988402 /nfs/dbraw/zinc/98/84/02/568988402.db2.gz OQIDOIVQCNBGGU-KRWDZBQOSA-N 0 0 426.473 3.672 50 0 IHAARN COc1ccc(Cn2c3cc(C(=O)NCc4cccs4)ccc3n3nccc3c2=O)cc1 ZINC000169681125 568991713 /nfs/dbraw/zinc/99/17/13/568991713.db2.gz BSRSAUJKOREFIF-UHFFFAOYSA-N 0 0 444.516 3.698 50 0 IHAARN O=C(NCc1ccccc1F)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681156 568991770 /nfs/dbraw/zinc/99/17/70/568991770.db2.gz NOJQBOUAOBBAHZ-UHFFFAOYSA-N 0 0 444.441 3.906 50 0 IHAARN CSc1cccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCCC5)c1 ZINC000064945764 568993129 /nfs/dbraw/zinc/99/31/29/568993129.db2.gz UBJAVNVXHXBVIZ-UHFFFAOYSA-N 0 0 439.566 3.735 50 0 IHAARN C=Cc1ccc(Cn2nc3n(c4ccsc4c(=O)n3Cc3ccccc3OC)c2=O)cc1 ZINC000064946422 568994327 /nfs/dbraw/zinc/99/43/27/568994327.db2.gz FTIAVRHXTAUION-UHFFFAOYSA-N 0 0 444.516 3.621 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)NCCn1nnc2cc(C(=O)N3CCCCC3)ccc21 ZINC000064956879 568999264 /nfs/dbraw/zinc/99/92/64/568999264.db2.gz YOEWHNKBNFDFAD-UHFFFAOYSA-N 0 0 440.935 3.841 50 0 IHAARN CC[C@H](C(=O)NCc1ccccc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971124 569076531 /nfs/dbraw/zinc/07/65/31/569076531.db2.gz YKRPLIKYVQOUCA-OAQYLSRUSA-N 0 0 429.524 3.775 50 0 IHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(F)c2)cc1 ZINC000064972322 569076969 /nfs/dbraw/zinc/07/69/69/569076969.db2.gz ZWNFBTPCBZKRJF-JOCHJYFZSA-N 0 0 440.496 3.589 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036342931 569079469 /nfs/dbraw/zinc/07/94/69/569079469.db2.gz YJQQLLGOULXGMQ-PKTZIBPZSA-N 0 0 437.515 3.921 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC ZINC000036346161 569080352 /nfs/dbraw/zinc/08/03/52/569080352.db2.gz OMGYNBODZQNDNH-QFIPXVFZSA-N 0 0 439.556 3.737 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345542 569080603 /nfs/dbraw/zinc/08/06/03/569080603.db2.gz QJTVMBLYGZZRJA-UPVQGACJSA-N 0 0 433.552 3.948 50 0 IHAARN Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccccc3F)n1C)OCCCO2 ZINC000064987130 569082602 /nfs/dbraw/zinc/08/26/02/569082602.db2.gz GBSKYBKLLDRWNF-UHFFFAOYSA-N 0 0 428.489 3.822 50 0 IHAARN O=C(Nc1cccc(Br)c1)c1ccc(-c2cc(N3CCOCC3)ncn2)cc1 ZINC000064989435 569083030 /nfs/dbraw/zinc/08/30/30/569083030.db2.gz QGNHXGBPZKYBOE-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN O=c1c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1CCc1ccccc1 ZINC000064998899 569085511 /nfs/dbraw/zinc/08/55/11/569085511.db2.gz MVUQITZMCDBPSP-UHFFFAOYSA-N 0 0 442.450 3.643 50 0 IHAARN COc1ccc(Cn2nnc(C(=O)NCc3ccc(F)cc3Cl)c2-n2cccc2)cc1 ZINC000064999487 569085743 /nfs/dbraw/zinc/08/57/43/569085743.db2.gz DOTJTYCZILYJDP-UHFFFAOYSA-N 0 0 439.878 3.848 50 0 IHAARN CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000036367301 569087475 /nfs/dbraw/zinc/08/74/75/569087475.db2.gz GKKYYNLCOIISLH-CYBMUJFWSA-N 0 0 431.370 3.809 50 0 IHAARN O=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000065007430 569087596 /nfs/dbraw/zinc/08/75/96/569087596.db2.gz DOLDUIPZJJCXKN-UHFFFAOYSA-N 0 0 440.487 3.926 50 0 IHAARN O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000065007142 569087607 /nfs/dbraw/zinc/08/76/07/569087607.db2.gz WWGURKGGZRFOIR-UHFFFAOYSA-N 0 0 441.528 3.595 50 0 IHAARN Cc1ccc(-c2ccc(N(C)Cc3ccco3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009327 569087898 /nfs/dbraw/zinc/08/78/98/569087898.db2.gz CCBFLEGHVPLBHD-UHFFFAOYSA-N 0 0 426.542 3.856 50 0 IHAARN CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)c1OC ZINC000036369799 569088390 /nfs/dbraw/zinc/08/83/90/569088390.db2.gz RAVJJMIOAZVABV-UHFFFAOYSA-N 0 0 431.496 3.589 50 0 biogenic IHAARN COCCCNS(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065011002 569088430 /nfs/dbraw/zinc/08/84/30/569088430.db2.gz VNFIPOPXFBKEDD-UHFFFAOYSA-N 0 0 436.574 3.689 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000036369889 569088451 /nfs/dbraw/zinc/08/84/51/569088451.db2.gz UMOLCHLVXTZECD-UHFFFAOYSA-N 0 0 447.535 3.637 50 0 biogenic IHAARN COCCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027360 569090295 /nfs/dbraw/zinc/09/02/95/569090295.db2.gz PJSXLSWJDOTZEA-UHFFFAOYSA-N 0 0 443.887 3.926 50 0 IHAARN O=C(CSc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)Nc1ccc(F)cc1 ZINC000065025918 569090837 /nfs/dbraw/zinc/09/08/37/569090837.db2.gz RCIXPHJITLDSGL-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN Cc1oc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c2c1c(C)n[nH]c2=O ZINC000036380057 569091805 /nfs/dbraw/zinc/09/18/05/569091805.db2.gz PTHFDCZYHYFRFA-LJQANCHMSA-N 0 0 440.550 3.842 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1 ZINC000065034641 569092058 /nfs/dbraw/zinc/09/20/58/569092058.db2.gz BDBFKLNNJYLZRJ-UHFFFAOYSA-N 0 0 429.517 3.685 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1 ZINC000065034594 569092104 /nfs/dbraw/zinc/09/21/04/569092104.db2.gz HGDPGTMDNFOSQX-UHFFFAOYSA-N 0 0 429.517 3.685 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4c(C)cccc4c3=O)CC2)cc1 ZINC000065034720 569092242 /nfs/dbraw/zinc/09/22/42/569092242.db2.gz YWJORKZDASTLQG-UHFFFAOYSA-N 0 0 425.554 3.683 50 0 IHAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2cnc3cc(F)ccc3c2=O)CC1 ZINC000065034671 569092317 /nfs/dbraw/zinc/09/23/17/569092317.db2.gz DCZZDDZTZNANJU-UHFFFAOYSA-N 0 0 435.908 3.523 50 0 IHAARN COC(=O)[C@@H](C)N(Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12 ZINC000036383388 569092436 /nfs/dbraw/zinc/09/24/36/569092436.db2.gz VKEJOZKTSSZVCH-CYBMUJFWSA-N 0 0 432.311 3.853 50 0 IHAARN COc1cc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)cc(OC)c1 ZINC000065035002 569092470 /nfs/dbraw/zinc/09/24/70/569092470.db2.gz VUIGFUVDOVGBDV-UHFFFAOYSA-N 0 0 445.878 3.747 50 0 IHAARN Cc1ccc(C(O)=C2[C@@H](c3ccc(Cl)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000036387048 569093147 /nfs/dbraw/zinc/09/31/47/569093147.db2.gz CXTLQMTZCXJYPB-HDMKZQKVSA-N 0 0 428.863 3.917 50 0 IHAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c(OC)c1 ZINC000169755697 569093603 /nfs/dbraw/zinc/09/36/03/569093603.db2.gz UUDLWHGXOBDXJM-INIZCTEOSA-N 0 0 426.904 3.756 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(OC)c(OC)c4)C3)n[nH]2)cc1 ZINC000169753918 569093725 /nfs/dbraw/zinc/09/37/25/569093725.db2.gz 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50 0 IHAARN COc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1OC ZINC000065220381 569117250 /nfs/dbraw/zinc/11/72/50/569117250.db2.gz UCVZKKKAIRKTGR-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN Cc1cccc(Cn2ccc3ccn(CC(=O)N4CCOc5ccc(C)cc54)c(=O)c32)c1 ZINC000065220249 569117279 /nfs/dbraw/zinc/11/72/79/569117279.db2.gz ZSZVYNSLVXGFSN-UHFFFAOYSA-N 0 0 427.504 3.894 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000007001665 569117534 /nfs/dbraw/zinc/11/75/34/569117534.db2.gz KBBOHROMOVEHKE-GYCJOSAFSA-N 0 0 427.545 3.991 50 0 IHAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCCn2nc(-c3cccnc3)cc2C1 ZINC000065225563 569117855 /nfs/dbraw/zinc/11/78/55/569117855.db2.gz LRUUBRNNYOXCQF-UHFFFAOYSA-N 0 0 425.876 3.823 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nnc(-c5ccccc5)o4)CC3)CC2)c1 ZINC000065229384 569118157 /nfs/dbraw/zinc/11/81/57/569118157.db2.gz KQSIZTAMMNWPDE-UHFFFAOYSA-N 0 0 445.567 3.919 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)c4ccc(OC)cc4)CC3)o2)cc1 ZINC000065229775 569118276 /nfs/dbraw/zinc/11/82/76/569118276.db2.gz KFNMVXDTVTWRPB-MRXNPFEDSA-N 0 0 436.512 3.848 50 0 IHAARN COc1cccc(CC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1 ZINC000065232239 569118991 /nfs/dbraw/zinc/11/89/91/569118991.db2.gz DMQKSJUOXNBEOD-UHFFFAOYSA-N 0 0 425.529 3.566 50 0 IHAARN Cc1oc(C2CCN(C(=O)CCCc3ccccc3)CC2)nc1C(=O)N1CCSCC1 ZINC000065232283 569119017 /nfs/dbraw/zinc/11/90/17/569119017.db2.gz LETBEIROXIBGGI-UHFFFAOYSA-N 0 0 441.597 3.901 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2nc(C)c(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000065233014 569119097 /nfs/dbraw/zinc/11/90/97/569119097.db2.gz AVVRYJROYPEOGQ-UHFFFAOYSA-N 0 0 437.521 3.658 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@H](C)c3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239132 569120058 /nfs/dbraw/zinc/12/00/58/569120058.db2.gz PSXFQDOBUUSRSC-QGZVFWFLSA-N 0 0 437.565 3.544 50 0 IHAARN C=C1C(N2CCCN(C(=O)CCC3CCCC3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239303 569120340 /nfs/dbraw/zinc/12/03/40/569120340.db2.gz MMOCXBCCJKSDFJ-UHFFFAOYSA-N 0 0 429.586 3.664 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccsc3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239466 569120538 /nfs/dbraw/zinc/12/05/38/569120538.db2.gz RGIKDAFQJXDYCP-UHFFFAOYSA-N 0 0 449.985 3.723 50 0 IHAARN C=C1C(N2CCCN(C(=O)[C@H](C)CCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239515 569120583 /nfs/dbraw/zinc/12/05/83/569120583.db2.gz QODBKAQEIYLWHH-QGZVFWFLSA-N 0 0 431.602 3.692 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccoc3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239508 569120585 /nfs/dbraw/zinc/12/05/85/569120585.db2.gz JONLNVBLIMLPBO-UHFFFAOYSA-N 0 0 441.553 3.724 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239525 569120656 /nfs/dbraw/zinc/12/06/56/569120656.db2.gz ICOWXKVWQSPWDA-UHFFFAOYSA-N 0 0 443.594 3.632 50 0 IHAARN CCc1csc(-c2ccc(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)nc2)n1 ZINC000065240775 569120877 /nfs/dbraw/zinc/12/08/77/569120877.db2.gz ZANBKVIULTZEEQ-UHFFFAOYSA-N 0 0 438.553 3.747 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C)cc1OC ZINC000065241316 569121014 /nfs/dbraw/zinc/12/10/14/569121014.db2.gz AEYNKKKVGVBIRA-UHFFFAOYSA-N 0 0 435.505 3.770 50 0 IHAARN O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065246652 569121964 /nfs/dbraw/zinc/12/19/64/569121964.db2.gz IYYCGSJIWJJCHZ-UHFFFAOYSA-N 0 0 448.932 3.761 50 0 IHAARN COc1ccc(CCC(=O)N2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065258092 569124320 /nfs/dbraw/zinc/12/43/20/569124320.db2.gz LURIFTHVCLQGQR-UHFFFAOYSA-N 0 0 447.539 3.689 50 0 IHAARN COc1ccc(OCC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065260115 569125031 /nfs/dbraw/zinc/12/50/31/569125031.db2.gz CURNTDBXILSTLL-VWLOTQADSA-N 0 0 436.556 3.979 50 0 IHAARN Cc1ccnc(NC(=O)CCn2c3nn(Cc4ccccc4)cc3c(C(F)F)cc2=O)c1 ZINC000036621521 569126173 /nfs/dbraw/zinc/12/61/73/569126173.db2.gz YYTYVPQPHNVKLM-UHFFFAOYSA-N 0 0 437.450 3.916 50 0 IHAARN Cn1cc2c(n1)n(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c(=O)cc2C(F)(F)F ZINC000036621481 569126180 /nfs/dbraw/zinc/12/61/80/569126180.db2.gz NHBFJOUBHDVCBV-UHFFFAOYSA-N 0 0 432.324 3.801 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)cc1 ZINC000065271296 569127742 /nfs/dbraw/zinc/12/77/42/569127742.db2.gz CKYMGVPZRQUOHK-GOSISDBHSA-N 0 0 429.480 3.598 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036636416 569128295 /nfs/dbraw/zinc/12/82/95/569128295.db2.gz CDLUAPYDBPRUJO-WMZOPIPTSA-N 0 0 426.900 3.828 50 0 IHAARN C=C1C(N2CCC(NC(=O)Nc3ccccc3C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271824 569128598 /nfs/dbraw/zinc/12/85/98/569128598.db2.gz PCWPQZWYVMXFSY-UHFFFAOYSA-N 0 0 438.553 3.754 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2ccc(C)cc2C)CC3)CC1 ZINC000065273505 569129624 /nfs/dbraw/zinc/12/96/24/569129624.db2.gz TXVKBGIXLLBOQT-KRWDZBQOSA-N 0 0 426.586 3.562 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NCc3ccc4c(c3)OCO4)sc12 ZINC000065294110 569131152 /nfs/dbraw/zinc/13/11/52/569131152.db2.gz LHTMTYAGPFBXGY-UHFFFAOYSA-N 0 0 449.536 3.580 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)C(C)(C)C)CC4)nc32)cc1 ZINC000065299549 569132171 /nfs/dbraw/zinc/13/21/71/569132171.db2.gz LTZVSNLGHJFUGD-UHFFFAOYSA-N 0 0 427.574 3.930 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1 ZINC000065306773 569133462 /nfs/dbraw/zinc/13/34/62/569133462.db2.gz LJFAZQDTEFEBRT-LJQANCHMSA-N 0 0 438.597 3.803 50 0 IHAARN CCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000065315420 569133988 /nfs/dbraw/zinc/13/39/88/569133988.db2.gz CKZCATHDAOGQAP-INIZCTEOSA-N 0 0 439.516 3.719 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1 ZINC000065315490 569134137 /nfs/dbraw/zinc/13/41/37/569134137.db2.gz JRVCHURQAOQUMD-SJORKVTESA-N 0 0 429.565 3.909 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C)cc1F ZINC000065319477 569134867 /nfs/dbraw/zinc/13/48/67/569134867.db2.gz MMKVLERJKYOQBP-UHFFFAOYSA-N 0 0 447.561 3.559 50 0 IHAARN Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)c(C)c1 ZINC000065314107 569135453 /nfs/dbraw/zinc/13/54/53/569135453.db2.gz IRABZCXWIUEFAS-HSZRJFAPSA-N 0 0 444.579 3.750 50 0 IHAARN COc1ccc(-n2nc(C)c3sc(N4CCCN(C(=O)c5cccnc5)CC4)nc32)cc1 ZINC000065314711 569135629 /nfs/dbraw/zinc/13/56/29/569135629.db2.gz CEXRTAUJYJFTDC-UHFFFAOYSA-N 0 0 448.552 3.547 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3nc4c(s3)CCCC4)CC2)c(C)c1 ZINC000036709249 569136253 /nfs/dbraw/zinc/13/62/53/569136253.db2.gz WPYQWZLSLNNUBW-UHFFFAOYSA-N 0 0 426.586 3.928 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCCc2ccccc21 ZINC000007264109 569138521 /nfs/dbraw/zinc/13/85/21/569138521.db2.gz BTXMKBYIYUSSPC-QHCPKHFHSA-N 0 0 426.582 3.988 50 0 IHAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)C1 ZINC000007318556 569138987 /nfs/dbraw/zinc/13/89/87/569138987.db2.gz ITADOXXYGXCXFU-KDURUIRLSA-N 0 0 427.618 3.850 50 0 IHAARN COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@H](C)[C@H]4C)C3)cc(=O)oc2c1 ZINC000007331869 569139101 /nfs/dbraw/zinc/13/91/01/569139101.db2.gz MBKIVMRPBMBQRT-QCBUCWTNSA-N 0 0 427.497 3.518 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1c2ccccc2C[C@@H]1C ZINC000065533015 569139362 /nfs/dbraw/zinc/13/93/62/569139362.db2.gz OLBOUVOAMNQLAU-KRWDZBQOSA-N 0 0 444.601 3.539 50 0 IHAARN C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1 ZINC000065565658 569139375 /nfs/dbraw/zinc/13/93/75/569139375.db2.gz ZHZFTHXALJFIGR-XMSQKQJNSA-N 0 0 448.527 3.691 50 0 IHAARN COc1ccc(NC(=O)Nc2c(C)nn(C(C)C)c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000065534443 569139378 /nfs/dbraw/zinc/13/93/78/569139378.db2.gz QCHLNZNTHYXVNA-UHFFFAOYSA-N 0 0 449.577 3.908 50 0 IHAARN COc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)cc1 ZINC000065535062 569139472 /nfs/dbraw/zinc/13/94/72/569139472.db2.gz HFNGRYOSLNQSDY-UHFFFAOYSA-N 0 0 428.423 3.742 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc2)co1 ZINC000240002247 569140404 /nfs/dbraw/zinc/14/04/04/569140404.db2.gz PPZYIZLGBWNZDS-HXUWFJFHSA-N 0 0 446.575 3.987 50 0 IHAARN CCc1ccc(C(=O)N2CCCC23CCCCCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000170591773 569141062 /nfs/dbraw/zinc/14/10/62/569141062.db2.gz DMTNCMRGHNRGEB-UHFFFAOYSA-N 0 0 434.602 3.599 50 0 IHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000170595326 569141570 /nfs/dbraw/zinc/14/15/70/569141570.db2.gz CHJXAZSUQAPUHA-RTBURBONSA-N 0 0 449.979 3.909 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(=O)n(Cc2cccnc2)c1 ZINC000170596557 569141785 /nfs/dbraw/zinc/14/17/85/569141785.db2.gz ZFNAPYXIGFBUJL-UHFFFAOYSA-N 0 0 448.704 3.725 50 0 IHAARN O=C(N1CCN(c2cncc3ccccc32)CC1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000170606227 569144028 /nfs/dbraw/zinc/14/40/28/569144028.db2.gz BKFWSBASXJFCKR-UHFFFAOYSA-N 0 0 437.490 3.910 50 0 IHAARN COCc1ccccc1C(=O)NCCc1csc(NC(=O)c2ccccc2COC)n1 ZINC000170615892 569146591 /nfs/dbraw/zinc/14/65/91/569146591.db2.gz FSPVUTPHGMUUCG-UHFFFAOYSA-N 0 0 439.537 3.661 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1OC(C)C ZINC000170617484 569147288 /nfs/dbraw/zinc/14/72/88/569147288.db2.gz WJNYEZMJDFDYNX-UHFFFAOYSA-N 0 0 431.558 3.672 50 0 IHAARN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)C1 ZINC000170629618 569148874 /nfs/dbraw/zinc/14/88/74/569148874.db2.gz WIHXUZFWRDMXBZ-CYBMUJFWSA-N 0 0 429.325 3.549 50 0 IHAARN COc1cccc(CNC(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)c1 ZINC000009761556 569148972 /nfs/dbraw/zinc/14/89/72/569148972.db2.gz ATXNIYCCDPWBBE-UHFFFAOYSA-N 0 0 431.517 3.803 50 0 IHAARN COc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000009882275 569149553 /nfs/dbraw/zinc/14/95/53/569149553.db2.gz XPXHMSRBXRFYGJ-UHFFFAOYSA-N 0 0 445.899 3.636 50 0 IHAARN CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)CSc4nccn4C)cc3)cnc21 ZINC000009909359 569150330 /nfs/dbraw/zinc/15/03/30/569150330.db2.gz VAZICAMUCBORCG-UHFFFAOYSA-N 0 0 449.540 3.729 50 0 IHAARN O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1 ZINC000071285638 569150911 /nfs/dbraw/zinc/15/09/11/569150911.db2.gz ZRNQFRUZRICLAP-UHFFFAOYSA-N 0 0 434.584 3.709 50 0 IHAARN Cc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c2cnn(C3CCCC3)c2n1 ZINC000071287356 569150935 /nfs/dbraw/zinc/15/09/35/569150935.db2.gz DXAGONWMDBUPNS-UHFFFAOYSA-N 0 0 427.549 3.984 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)cc1 ZINC000009955300 569151155 /nfs/dbraw/zinc/15/11/55/569151155.db2.gz OXWUDKKLBMPPQQ-UHFFFAOYSA-N 0 0 438.505 3.744 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000010024074 569151356 /nfs/dbraw/zinc/15/13/56/569151356.db2.gz KCLYNJXJICHQOH-HXUWFJFHSA-N 0 0 444.553 3.512 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000010025621 569151701 /nfs/dbraw/zinc/15/17/01/569151701.db2.gz VLFIWOBYSCHZCJ-FQEVSTJZSA-N 0 0 448.610 3.911 50 0 IHAARN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000010058913 569151934 /nfs/dbraw/zinc/15/19/34/569151934.db2.gz GXDSCPJYOLGURV-UHFFFAOYSA-N 0 0 428.297 3.873 50 0 IHAARN CC(C)(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000010119446 569152726 /nfs/dbraw/zinc/15/27/26/569152726.db2.gz HIFFRJSCLKWIPX-UHFFFAOYSA-N 0 0 437.359 3.729 50 0 IHAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000010220649 569152943 /nfs/dbraw/zinc/15/29/43/569152943.db2.gz BNXOAQJNOIMHPO-UHFFFAOYSA-N 0 0 426.498 3.552 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O ZINC000010216247 569153124 /nfs/dbraw/zinc/15/31/24/569153124.db2.gz BEOBPJAKMHNDBA-IVCQMTBJSA-N 0 0 437.515 3.739 50 0 IHAARN CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@H]1c1ccc(OC)cc1 ZINC000071794095 569154328 /nfs/dbraw/zinc/15/43/28/569154328.db2.gz ZJGFJJRUBCKMMC-IFMALSPDSA-N 0 0 435.528 3.614 50 0 IHAARN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 ZINC000071820898 569154700 /nfs/dbraw/zinc/15/47/00/569154700.db2.gz GFPIHWROWPBTOW-OAHLLOKOSA-N 0 0 437.931 3.709 50 0 IHAARN COc1cccc(NC(=O)Cn2nc3c4scc(-c5ccc(C)cc5)c4ncn3c2=O)c1 ZINC000013349894 569155287 /nfs/dbraw/zinc/15/52/87/569155287.db2.gz MTKVARZGVQAASA-UHFFFAOYSA-N 0 0 445.504 3.728 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013521978 569155488 /nfs/dbraw/zinc/15/54/88/569155488.db2.gz DNBOWYOROSWBJK-UHFFFAOYSA-N 0 0 431.448 3.798 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000013608712 569156418 /nfs/dbraw/zinc/15/64/18/569156418.db2.gz MJXMCSIBXWRXGS-UHFFFAOYSA-N 0 0 446.507 3.973 50 0 IHAARN CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2)cc1 ZINC000013809269 569157111 /nfs/dbraw/zinc/15/71/11/569157111.db2.gz NAEHWQXIYQFCPE-UHFFFAOYSA-N 0 0 433.386 3.846 50 0 IHAARN O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000013800062 569157188 /nfs/dbraw/zinc/15/71/88/569157188.db2.gz ZMWZRMLHYPHJNX-UHFFFAOYSA-N 0 0 444.365 3.647 50 0 IHAARN COc1cccc(Oc2cc(N3CCN(C(=O)NC4CCCCC4)[C@@H](C)C3)ncn2)c1 ZINC000037342209 569159648 /nfs/dbraw/zinc/15/96/48/569159648.db2.gz AMLQNHIMBXPVCI-KRWDZBQOSA-N 0 0 425.533 3.830 50 0 IHAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc32)cc1 ZINC000089626934 569159955 /nfs/dbraw/zinc/15/99/55/569159955.db2.gz YOJVUTYLYMRCJT-JTHBVZDNSA-N 0 0 426.538 3.613 50 0 IHAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000089623564 569159982 /nfs/dbraw/zinc/15/99/82/569159982.db2.gz ODYKTMMGANUGCU-UHFFFAOYSA-N 0 0 432.542 3.586 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000089638993 569160252 /nfs/dbraw/zinc/16/02/52/569160252.db2.gz JAHUCUXSSGQHNE-UHFFFAOYSA-N 0 0 449.576 3.607 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000089651222 569160472 /nfs/dbraw/zinc/16/04/72/569160472.db2.gz ASSAVCFOHJRXLS-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)n1 ZINC000016839213 569163024 /nfs/dbraw/zinc/16/30/24/569163024.db2.gz HEOSKXYORITYGU-UHFFFAOYSA-N 0 0 431.481 3.637 50 0 IHAARN O=C1CCCN1c1ccc(CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000016843987 569163793 /nfs/dbraw/zinc/16/37/93/569163793.db2.gz BEVPGLJMVKBOJP-UHFFFAOYSA-N 0 0 435.484 3.643 50 0 IHAARN O=c1[nH]nc(SCc2nc(-c3ccccc3Cl)no2)n2nc(-c3ccco3)cc12 ZINC000016844176 569163804 /nfs/dbraw/zinc/16/38/04/569163804.db2.gz RXWRHWMIWZDJBR-UHFFFAOYSA-N 0 0 426.845 3.673 50 0 IHAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Br)c4)no3)n2)cc1 ZINC000016844864 569163828 /nfs/dbraw/zinc/16/38/28/569163828.db2.gz NPGNKFGJAPPHAK-UHFFFAOYSA-N 0 0 439.269 3.780 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)C1 ZINC000016848789 569164392 /nfs/dbraw/zinc/16/43/92/569164392.db2.gz FWFLOSFUAGPGCZ-KRWDZBQOSA-N 0 0 441.553 3.806 50 0 IHAARN COc1ccccc1N1CCN(C(=O)Cc2csc(Nc3ccc(F)cc3)n2)CC1 ZINC000016850163 569164622 /nfs/dbraw/zinc/16/46/22/569164622.db2.gz HDKAGMFAOCTMMA-UHFFFAOYSA-N 0 0 426.517 3.926 50 0 IHAARN O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016850042 569164696 /nfs/dbraw/zinc/16/46/96/569164696.db2.gz GXFHEPBGZZUEQR-UHFFFAOYSA-N 0 0 436.537 3.502 50 0 IHAARN COc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000016945204 569166901 /nfs/dbraw/zinc/16/69/01/569166901.db2.gz LLAMYQOQLBLKKH-XMMPIXPASA-N 0 0 434.515 3.523 50 0 IHAARN COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000089904836 569167118 /nfs/dbraw/zinc/16/71/18/569167118.db2.gz IFEVOXKDMXJQPQ-RTBURBONSA-N 0 0 429.460 3.775 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000016954385 569167365 /nfs/dbraw/zinc/16/73/65/569167365.db2.gz KCQLIXWUYVKUMO-UHFFFAOYSA-N 0 0 433.917 3.967 50 0 IHAARN CCCn1cc(CN2CCCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000089960715 569169062 /nfs/dbraw/zinc/16/90/62/569169062.db2.gz GZGHRNGYUGVMIP-UHFFFAOYSA-N 0 0 425.455 3.932 50 0 IHAARN CCOC(=O)C[C@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000089983631 569169963 /nfs/dbraw/zinc/16/99/63/569169963.db2.gz PMNOSDACLXBVMK-DZGCQCFKSA-N 0 0 429.344 3.551 50 0 IHAARN COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c3ccccc3[nH]c2c1=O ZINC000017010629 569170356 /nfs/dbraw/zinc/17/03/56/569170356.db2.gz FGAXZBWVMKRRRB-UHFFFAOYSA-N 0 0 436.537 3.872 50 0 IHAARN Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000017011673 569170458 /nfs/dbraw/zinc/17/04/58/569170458.db2.gz DZQNYGCJRIZPEE-UHFFFAOYSA-N 0 0 439.519 3.913 50 0 IHAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1 ZINC000017012215 569170499 /nfs/dbraw/zinc/17/04/99/569170499.db2.gz RZVBMJPJTKVKMT-UHFFFAOYSA-N 0 0 439.466 3.778 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2nc(C)cc(C)n2)cc1=O ZINC000017014033 569170740 /nfs/dbraw/zinc/17/07/40/569170740.db2.gz AMROSEXIQHRNCA-UHFFFAOYSA-N 0 0 444.944 3.848 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C ZINC000017026232 569171130 /nfs/dbraw/zinc/17/11/30/569171130.db2.gz HMDJZCUKDHEIDP-UHFFFAOYSA-N 0 0 427.501 3.872 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017050922 569171825 /nfs/dbraw/zinc/17/18/25/569171825.db2.gz BCDMADCWWTUJTB-JOCHJYFZSA-N 0 0 443.544 3.569 50 0 IHAARN COc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C ZINC000037356213 569171897 /nfs/dbraw/zinc/17/18/97/569171897.db2.gz PXJOKMBITZSSCH-HNNXBMFYSA-N 0 0 440.450 3.907 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1 ZINC000017118952 569174175 /nfs/dbraw/zinc/17/41/75/569174175.db2.gz BJECVKLIMSAUGT-INIZCTEOSA-N 0 0 429.973 3.764 50 0 IHAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2cccc(C)c2C)n1 ZINC000017135661 569174341 /nfs/dbraw/zinc/17/43/41/569174341.db2.gz UQNGEYJNRAHMSS-UHFFFAOYSA-N 0 0 427.508 3.968 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1C ZINC000017136129 569174497 /nfs/dbraw/zinc/17/44/97/569174497.db2.gz QFBFJEUERWCRJR-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN COc1ccccc1-c1nc(NC[C@@H]2CCCO2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037358084 569175765 /nfs/dbraw/zinc/17/57/65/569175765.db2.gz FIJZYLGYGYITER-KRWDZBQOSA-N 0 0 430.512 3.723 50 0 IHAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1F ZINC000017188490 569175768 /nfs/dbraw/zinc/17/57/68/569175768.db2.gz DXSAQEIEQRZSAN-UHFFFAOYSA-N 0 0 431.316 3.588 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(SC)c2)CC1 ZINC000001050309 569176418 /nfs/dbraw/zinc/17/64/18/569176418.db2.gz JEIDSMXUZPKQHK-UHFFFAOYSA-N 0 0 434.583 3.765 50 0 IHAARN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000017278164 569176963 /nfs/dbraw/zinc/17/69/63/569176963.db2.gz QPXMYWLJYUINLN-GOSISDBHSA-N 0 0 449.580 3.564 50 0 IHAARN COc1ccccc1-c1nc(NC[C@H]2CCCO2)nc2nn(-c3ccc(F)cc3)c(N)c21 ZINC000037359257 569176988 /nfs/dbraw/zinc/17/69/88/569176988.db2.gz YGXZMAKJOGPSPH-MRXNPFEDSA-N 0 0 434.475 3.803 50 0 IHAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000002504256 569177268 /nfs/dbraw/zinc/17/72/68/569177268.db2.gz VSGHWOFSEXIYAP-UHFFFAOYSA-N 0 0 441.413 3.971 50 0 IHAARN Cc1cc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)ccc1Br ZINC000002875589 569177592 /nfs/dbraw/zinc/17/75/92/569177592.db2.gz NBBBNXNDMRXBBD-UHFFFAOYSA-N 0 0 449.729 3.955 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 ZINC000002095290 569179172 /nfs/dbraw/zinc/17/91/72/569179172.db2.gz VICMAXULEIDDMU-UHFFFAOYSA-N 0 0 449.912 3.646 50 0 biogenic IHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002108791 569181683 /nfs/dbraw/zinc/18/16/83/569181683.db2.gz FZDXWPBMMTUCCU-KBMIEXCESA-N 0 0 427.541 3.976 50 0 biogenic IHAARN Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002111328 569181993 /nfs/dbraw/zinc/18/19/93/569181993.db2.gz UWTGYNAKLDLHOU-UYPAYLBCSA-N 0 0 439.552 3.901 50 0 biogenic IHAARN O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000027162430 569182723 /nfs/dbraw/zinc/18/27/23/569182723.db2.gz VGPACXYXJGMBMC-UHFFFAOYSA-N 0 0 428.357 3.905 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OC ZINC000002132504 569185030 /nfs/dbraw/zinc/18/50/30/569185030.db2.gz BTYHVYXEVYVEEP-NXHTTZLHSA-N 0 0 437.492 3.931 50 0 biogenic IHAARN COc1ccc([C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 ZINC000252494097 569187880 /nfs/dbraw/zinc/18/78/80/569187880.db2.gz NKUGFASIDMSWML-IRLDBZIGSA-N 0 0 439.512 3.627 50 0 IHAARN CCc1ccc(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000252499608 569188108 /nfs/dbraw/zinc/18/81/08/569188108.db2.gz SCSFYNABGWSQNG-DNQXCXABSA-N 0 0 427.614 3.661 50 0 IHAARN COC(=O)[C@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002160801 569189040 /nfs/dbraw/zinc/18/90/40/569189040.db2.gz NVACJIKHPZSPRQ-ZDUSSCGKSA-N 0 0 436.416 3.824 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C(=O)NC(C)(C)C)C2CC2)cc1 ZINC000037403388 569194883 /nfs/dbraw/zinc/19/48/83/569194883.db2.gz UPTFDLYGTILKKP-UHFFFAOYSA-N 0 0 432.542 3.935 50 0 IHAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)cc1OS(=O)(=O)C(C)C ZINC000037401029 569195068 /nfs/dbraw/zinc/19/50/68/569195068.db2.gz LRFBJFIZKDNSFX-GOSISDBHSA-N 0 0 441.590 3.756 50 0 IHAARN CO[C@@H]1C[C@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000170682973 569195460 /nfs/dbraw/zinc/19/54/60/569195460.db2.gz UJWSFBBTPCUMGX-YLJYHZDGSA-N 0 0 442.466 3.898 50 0 IHAARN CO[C@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000170682983 569195490 /nfs/dbraw/zinc/19/54/90/569195490.db2.gz UJWSFBBTPCUMGX-PXNSSMCTSA-N 0 0 442.466 3.898 50 0 IHAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426322 569195781 /nfs/dbraw/zinc/19/57/81/569195781.db2.gz KYZNNTCPEHBOHK-CABCVRRESA-N 0 0 448.976 3.688 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000037427658 569195870 /nfs/dbraw/zinc/19/58/70/569195870.db2.gz JUAAOEOHHPZPFC-TXKIEDGSSA-N 0 0 435.505 3.923 50 0 IHAARN CC[C@H](C(=O)NC[C@H]1CCCO1)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428292 569195982 /nfs/dbraw/zinc/19/59/82/569195982.db2.gz CFTJBJZPMGNYGD-IPLWMJAQSA-N 0 0 442.368 3.844 50 0 IHAARN Cc1cs/c(=N\C(=O)c2cccc(C)c2)n1Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000037435413 569196105 /nfs/dbraw/zinc/19/61/05/569196105.db2.gz XKGJEWXGRVCICF-MCMRFMRISA-N 0 0 449.576 3.865 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037511287 569197961 /nfs/dbraw/zinc/19/79/61/569197961.db2.gz UVIOEDNJBFOULU-GJZGRUSLSA-N 0 0 444.915 3.630 50 0 IHAARN CC(C)CNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(C(C)C)cc3)cc21 ZINC000037520081 569198252 /nfs/dbraw/zinc/19/82/52/569198252.db2.gz UYVJDRTWPAGWPC-UHFFFAOYSA-N 0 0 438.524 3.569 50 0 IHAARN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000037524819 569198749 /nfs/dbraw/zinc/19/87/49/569198749.db2.gz IWHNXWUBHQEHLK-UHFFFAOYSA-N 0 0 447.535 3.959 50 0 IHAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1 ZINC000037526363 569199091 /nfs/dbraw/zinc/19/90/91/569199091.db2.gz SGYVGDHNZRUYMQ-UHFFFAOYSA-N 0 0 426.536 3.822 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc2sc(Br)cc2n1C[C@H]1CCCCO1 ZINC000037542076 569199772 /nfs/dbraw/zinc/19/97/72/569199772.db2.gz QDSVCOSVPZSJFB-QWHCGFSZSA-N 0 0 427.364 3.943 50 0 IHAARN CC(C)Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2cccc(F)c2)c1=O ZINC000037557939 569200743 /nfs/dbraw/zinc/20/07/43/569200743.db2.gz SJGWHQLUHDIBSQ-UHFFFAOYSA-N 0 0 426.879 3.846 50 0 IHAARN CC(C)n1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2F)c1=O ZINC000037559345 569200862 /nfs/dbraw/zinc/20/08/62/569200862.db2.gz BTGKGBQBMQDLLO-UHFFFAOYSA-N 0 0 430.842 3.910 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)c3ccccc3F)c2)NC(=O)N1C ZINC000037679380 569204462 /nfs/dbraw/zinc/20/44/62/569204462.db2.gz BHGSOPNZDJXTOR-FQEVSTJZSA-N 0 0 425.460 4.000 50 0 IHAARN Cc1cc2c(nc3sc(=Cc4cc5c(cc4Br)OCO5)c(=O)n23)c(C)c1 ZINC000252667758 569209727 /nfs/dbraw/zinc/20/97/27/569209727.db2.gz DLBCIQCNHLPLNG-UHFFFAOYSA-N 0 0 429.295 3.565 50 0 IHAARN COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccccc1 ZINC000252669912 569209901 /nfs/dbraw/zinc/20/99/01/569209901.db2.gz IYZMRQHMXFDXQB-UHFFFAOYSA-N 0 0 428.469 3.685 50 0 IHAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002253100 569215063 /nfs/dbraw/zinc/21/50/63/569215063.db2.gz GDWXFLKHTHIMKT-INIZCTEOSA-N 0 0 435.915 3.929 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCc4ccccc4C3)c21 ZINC000002259826 569215608 /nfs/dbraw/zinc/21/56/08/569215608.db2.gz BCKVEPZPJJRLDO-UHFFFAOYSA-N 0 0 435.524 3.669 50 0 IHAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC ZINC000015957235 569256956 /nfs/dbraw/zinc/25/69/56/569256956.db2.gz YTVLZQAMDFWOIX-KSNOWIBYSA-N 0 0 430.589 3.821 50 0 biogenic IHAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000257357613 569263858 /nfs/dbraw/zinc/26/38/58/569263858.db2.gz PBLXVDNSLUFVHF-WETFJVHLSA-N 0 0 446.628 3.944 50 0 IHAARN C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]2(C)O[C@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000253388767 569264259 /nfs/dbraw/zinc/26/42/59/569264259.db2.gz SHZIIRHXBSCNRY-RBLJQLOXSA-N 0 0 442.464 3.604 50 0 biogenic IHAARN CN(CC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)C(=O)c1cccs1 ZINC000253416340 569266449 /nfs/dbraw/zinc/26/64/49/569266449.db2.gz DFEOGWIROUSAMY-UHFFFAOYSA-N 0 0 447.532 3.891 50 0 IHAARN COc1ccccc1CNn1c(=O)c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000027532162 569266523 /nfs/dbraw/zinc/26/65/23/569266523.db2.gz XURKTMXHLWHAQK-UHFFFAOYSA-N 0 0 447.491 3.842 50 0 IHAARN C[C@H](O)[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)OCc1ccccc1 ZINC000253423037 569266957 /nfs/dbraw/zinc/26/69/57/569266957.db2.gz BYGBOYFDCBZPKI-UUOWRZLLSA-N 0 0 425.525 3.550 50 0 IHAARN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCOc2cccnc2)C1 ZINC000253427596 569267521 /nfs/dbraw/zinc/26/75/21/569267521.db2.gz ARFRRCVFPKJAQZ-LEWJYISDSA-N 0 0 425.529 3.760 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC(C)=O ZINC000002308368 569271994 /nfs/dbraw/zinc/27/19/94/569271994.db2.gz CFWMQJMQYBHVTR-NVNXTCNLSA-N 0 0 446.253 3.736 50 0 IHAARN CCCCCNC(=O)c1c(N)n(-c2ccc(C(=O)OC)cc2)c2nc3ccccc3nc21 ZINC000002312148 569273050 /nfs/dbraw/zinc/27/30/50/569273050.db2.gz DODVACRMEOWOGY-UHFFFAOYSA-N 0 0 431.496 3.863 50 0 IHAARN O=C(CCSc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000027595685 569274585 /nfs/dbraw/zinc/27/45/85/569274585.db2.gz PCCSDOFEGPUCST-UHFFFAOYSA-N 0 0 426.510 3.870 50 0 IHAARN Cc1cc(C=CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1Cc1ccco1 ZINC000008718840 569290122 /nfs/dbraw/zinc/29/01/22/569290122.db2.gz DRMZEAIJKBKCTQ-SOFGYWHQSA-N 0 0 434.448 3.516 50 0 IHAARN O=c1/c(=C\C2=Cc3ccccc3OC2)sc2nc(-c3ccccc3Br)nn12 ZINC000002387074 569295101 /nfs/dbraw/zinc/29/51/01/569295101.db2.gz HLZBKQBRKLAYRD-LICLKQGHSA-N 0 0 438.306 3.556 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1F ZINC000002390992 569297768 /nfs/dbraw/zinc/29/77/68/569297768.db2.gz IGAUWWRHGXLQCE-MRXNPFEDSA-N 0 0 433.720 3.567 50 0 IHAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)c(C)c1C ZINC000027771113 569297976 /nfs/dbraw/zinc/29/79/76/569297976.db2.gz TXAYMEQADSGPAD-IBGZPJMESA-N 0 0 434.606 3.803 50 0 IHAARN CCCCNC(=O)c1c(N)n(Cc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002422297 569302131 /nfs/dbraw/zinc/30/21/31/569302131.db2.gz QCMNQESEULDZME-UHFFFAOYSA-N 0 0 433.512 3.762 50 0 IHAARN COC(=O)C(C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000002439913 569304033 /nfs/dbraw/zinc/30/40/33/569304033.db2.gz WRXVDLGAJSUFNI-IIBYNOLFSA-N 0 0 442.508 3.885 50 0 IHAARN O=c1c2c3c(sc2nc(NCCOCCO)n1-c1cccc(Cl)c1)CCCCC3 ZINC000002442656 569304294 /nfs/dbraw/zinc/30/42/94/569304294.db2.gz OPWJNRJMTIPQLS-UHFFFAOYSA-N 0 0 433.961 3.790 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002448669 569304591 /nfs/dbraw/zinc/30/45/91/569304591.db2.gz ILYVIKPJKKVIBF-OAQYLSRUSA-N 0 0 435.476 3.940 50 0 IHAARN COc1ccc(-c2c3c(cn2-c2cccc(C(F)(F)F)c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000002448734 569304594 /nfs/dbraw/zinc/30/45/94/569304594.db2.gz ACTNSIAWFJHFMN-UHFFFAOYSA-N 0 0 429.398 3.722 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N ZINC000013038851 569307884 /nfs/dbraw/zinc/30/78/84/569307884.db2.gz NFXCYNOSHBPMAU-ZIAGYGMSSA-N 0 0 428.583 3.720 50 0 IHAARN COCCOC(=O)c1sc2[nH]c(CN[C@H](C)c3cccc(Cl)c3)nc(=O)c2c1C ZINC000013040172 569308044 /nfs/dbraw/zinc/30/80/44/569308044.db2.gz NRESIBKDHAGTHT-GFCCVEGCSA-N 0 0 435.933 3.600 50 0 IHAARN CCCCn1c(N)c(N(CCC)C(=O)C2c3ccccc3Oc3ccccc32)c(=O)[nH]c1=O ZINC000013096338 569309605 /nfs/dbraw/zinc/30/96/05/569309605.db2.gz AXAILDAVNSUHGC-UHFFFAOYSA-N 0 0 448.523 3.600 50 0 IHAARN Cc1cccc(Oc2ccc(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)cc2)c1 ZINC000013115124 569310728 /nfs/dbraw/zinc/31/07/28/569310728.db2.gz SQNTXTHCQZAYGH-UHFFFAOYSA-N 0 0 435.505 3.807 50 0 IHAARN O=C(Cc1cccs1)N1CSC[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000013354806 569313466 /nfs/dbraw/zinc/31/34/66/569313466.db2.gz IPQFRYPLWXYCHY-QGZVFWFLSA-N 0 0 429.592 3.632 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)cc2C[C@H]1C ZINC000013365838 569314235 /nfs/dbraw/zinc/31/42/35/569314235.db2.gz VVIZOPJVTXUJMD-MRXNPFEDSA-N 0 0 428.554 3.739 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)CC ZINC000013365868 569314261 /nfs/dbraw/zinc/31/42/61/569314261.db2.gz ZOAHYGKNZYOJGX-INIZCTEOSA-N 0 0 444.553 3.575 50 0 IHAARN COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 ZINC000013368310 569314597 /nfs/dbraw/zinc/31/45/97/569314597.db2.gz QSFZCAYNZIVYIZ-UHFFFAOYSA-N 0 0 448.504 3.868 50 0 IHAARN COc1ccc2nc(N3CCN(CCNC(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000070722405 569316114 /nfs/dbraw/zinc/31/61/14/569316114.db2.gz MSJVFYAVORXMQN-UHFFFAOYSA-N 0 0 436.990 3.572 50 0 IHAARN CC[C@@H](C)N1CC(=O)N([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O ZINC000328595593 569317734 /nfs/dbraw/zinc/31/77/34/569317734.db2.gz YTNSGKQSTCEADN-ZBFHGGJFSA-N 0 0 436.350 3.624 50 0 IHAARN OC[C@@H](O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000078739184 569318822 /nfs/dbraw/zinc/31/88/22/569318822.db2.gz UHZPZPSAZGRFAC-OAHLLOKOSA-N 0 0 444.607 3.674 50 0 IHAARN Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(F)(F)F ZINC000078968498 569320723 /nfs/dbraw/zinc/32/07/23/569320723.db2.gz DMBUOKKGQRBEHD-IAQYHMDHSA-N 0 0 434.256 3.987 50 0 IHAARN Cc1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)c(C(=O)Nc2ccncc2)c1 ZINC000079024250 569322642 /nfs/dbraw/zinc/32/26/42/569322642.db2.gz RBJZPSDINZKAPQ-UHFFFAOYSA-N 0 0 439.899 3.870 50 0 IHAARN CC(=O)Nc1ccc(Br)c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)n1 ZINC000079044592 569322975 /nfs/dbraw/zinc/32/29/75/569322975.db2.gz XIJKCONVLXNHMM-UHFFFAOYSA-N 0 0 431.290 3.712 50 0 IHAARN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000079070693 569324609 /nfs/dbraw/zinc/32/46/09/569324609.db2.gz MWLGESVBQKRABX-OAQYLSRUSA-N 0 0 426.582 3.596 50 0 IHAARN Cc1oc2nc(CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc(N)c2c1C ZINC000079112217 569326195 /nfs/dbraw/zinc/32/61/95/569326195.db2.gz MNORCJMVULOMEA-UHFFFAOYSA-N 0 0 434.327 3.687 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1OC ZINC000019796557 569329559 /nfs/dbraw/zinc/32/95/59/569329559.db2.gz KSKVTSUQWROTMU-NSHDSACASA-N 0 0 425.466 3.799 50 0 IHAARN Cc1cc(=O)c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1 ZINC000079476953 569330784 /nfs/dbraw/zinc/33/07/84/569330784.db2.gz QFGBIRMTZNQBIG-UHFFFAOYSA-N 0 0 426.463 3.839 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1cccc(C)n1)C(F)(F)F ZINC000019944190 569332326 /nfs/dbraw/zinc/33/23/26/569332326.db2.gz MSMOACKMTDEWCR-MRXNPFEDSA-N 0 0 436.217 3.970 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c2cccnc12 ZINC000020103875 569334108 /nfs/dbraw/zinc/33/41/08/569334108.db2.gz MQRZBHCVMZCZFL-SFHVURJKSA-N 0 0 425.554 3.841 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000020104175 569334143 /nfs/dbraw/zinc/33/41/43/569334143.db2.gz NLUZNBNHLFLYRV-UHFFFAOYSA-N 0 0 436.961 3.842 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020116403 569335139 /nfs/dbraw/zinc/33/51/39/569335139.db2.gz IZXDMGRGNJFLKO-SFHVURJKSA-N 0 0 430.551 3.675 50 0 IHAARN COc1cc(Br)ccc1[C@@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000020134440 569335700 /nfs/dbraw/zinc/33/57/00/569335700.db2.gz IDLFQHYFIKMCQZ-QGZVFWFLSA-N 0 0 448.321 3.609 50 0 IHAARN COc1ccc(CNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Oc3ccccc32)cc1 ZINC000020180712 569355100 /nfs/dbraw/zinc/35/51/00/569355100.db2.gz QROQYHBEBLBBMT-UCQKPKSFSA-N 0 0 432.451 3.917 50 0 IHAARN O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1 ZINC000094993006 569355739 /nfs/dbraw/zinc/35/57/39/569355739.db2.gz KGDXFMBQTPPVBD-UHFFFAOYSA-N 0 0 438.915 3.525 50 0 IHAARN CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214722 569356487 /nfs/dbraw/zinc/35/64/87/569356487.db2.gz GJFSIQMHPHYAFZ-JOCHJYFZSA-N 0 0 441.503 3.920 50 0 IHAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(C)cc1 ZINC000020215972 569356702 /nfs/dbraw/zinc/35/67/02/569356702.db2.gz VAQXXXUCINNRHO-UHFFFAOYSA-N 0 0 426.542 3.786 50 0 IHAARN CCOC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3F)oc2C)CC1)OCC ZINC000020240801 569357728 /nfs/dbraw/zinc/35/77/28/569357728.db2.gz AYFODJODSXXGFQ-UHFFFAOYSA-N 0 0 433.524 3.516 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCc4ccccc43)c(C)o2)cc1OC ZINC000020241669 569358053 /nfs/dbraw/zinc/35/80/53/569358053.db2.gz IBGMDNDQJYQBDE-WJOKGBTCSA-N 0 0 440.521 3.505 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3Cl)c(C)o2)c1 ZINC000020241938 569358146 /nfs/dbraw/zinc/35/81/46/569358146.db2.gz FLQNDHWHMHAVIM-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(F)cc3C)c(C)o2)c1 ZINC000020241985 569358160 /nfs/dbraw/zinc/35/81/60/569358160.db2.gz STVUPCJQIRJPRL-UHFFFAOYSA-N 0 0 432.473 3.660 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCc1ccc(C)cc1 ZINC000020242051 569358176 /nfs/dbraw/zinc/35/81/76/569358176.db2.gz XXYBWJSUSZUBMQ-UHFFFAOYSA-N 0 0 426.538 3.541 50 0 IHAARN Clc1ccc(-c2noc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c32)cc1 ZINC000020329784 569360711 /nfs/dbraw/zinc/36/07/11/569360711.db2.gz JZAJSBSGWJIXTH-UHFFFAOYSA-N 0 0 449.898 3.989 50 0 IHAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1 ZINC000020354887 569361053 /nfs/dbraw/zinc/36/10/53/569361053.db2.gz XZBGKJPCKWXWOR-UHFFFAOYSA-N 0 0 431.473 3.658 50 0 IHAARN Cc1cc(NC(=O)CSCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)no1 ZINC000095348890 569361658 /nfs/dbraw/zinc/36/16/58/569361658.db2.gz JJOHBAFXLUBSHX-FQEVSTJZSA-N 0 0 439.537 3.960 50 0 IHAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000020397453 569363437 /nfs/dbraw/zinc/36/34/37/569363437.db2.gz UZGCKGJEVQPDHZ-CQSZACIVSA-N 0 0 435.958 3.555 50 0 IHAARN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000095405966 569364532 /nfs/dbraw/zinc/36/45/32/569364532.db2.gz CAMRDASJHDZVLL-HNNXBMFYSA-N 0 0 439.434 3.635 50 0 IHAARN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H]1c1ccccc1Cl ZINC000095420335 569365655 /nfs/dbraw/zinc/36/56/55/569365655.db2.gz RJOVAXJEDYCGGA-HXUWFJFHSA-N 0 0 426.948 3.528 50 0 IHAARN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H]1c1ccccc1Cl ZINC000095420334 569365718 /nfs/dbraw/zinc/36/57/18/569365718.db2.gz RJOVAXJEDYCGGA-FQEVSTJZSA-N 0 0 426.948 3.528 50 0 IHAARN C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC000095441412 569366795 /nfs/dbraw/zinc/36/67/95/569366795.db2.gz XKSDGUFJXDFHHE-QGZVFWFLSA-N 0 0 425.529 3.697 50 0 IHAARN FC(F)(F)c1ccc(I)c(NCCCOC[C@@H]2CCCO2)n1 ZINC000095443267 569366885 /nfs/dbraw/zinc/36/68/85/569366885.db2.gz ZQMHNMWCBDRECQ-JTQLQIEISA-N 0 0 430.208 3.703 50 0 IHAARN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 ZINC000095452750 569368050 /nfs/dbraw/zinc/36/80/50/569368050.db2.gz DDJUJXYCHHYRPQ-RBBKRZOGSA-N 0 0 433.556 3.738 50 0 IHAARN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000095456729 569368850 /nfs/dbraw/zinc/36/88/50/569368850.db2.gz YLQOEXLCYDKTMI-SNVBAGLBSA-N 0 0 446.907 3.982 50 0 IHAARN Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000095457631 569369092 /nfs/dbraw/zinc/36/90/92/569369092.db2.gz AKEPYGOPRGTWSJ-HCXYKTFWSA-N 0 0 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CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000095474015 569372453 /nfs/dbraw/zinc/37/24/53/569372453.db2.gz SEBGGVJGNKZQKA-FQEVSTJZSA-N 0 0 438.601 3.910 50 0 IHAARN COc1ccc(OC)c(-n2cc(C(=O)Nc3ccc(OC)nc3)c3ccccc3c2=O)c1 ZINC000095476006 569372843 /nfs/dbraw/zinc/37/28/43/569372843.db2.gz PESQCEQPEVACGA-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN CC(C)c1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095477554 569373222 /nfs/dbraw/zinc/37/32/22/569373222.db2.gz PHNQIQBJUGLYCL-UHFFFAOYSA-N 0 0 448.397 3.720 50 0 IHAARN COc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482342 569374336 /nfs/dbraw/zinc/37/43/36/569374336.db2.gz JNOXEXJSLYWJOE-ZDUSSCGKSA-N 0 0 446.301 3.934 50 0 IHAARN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccc(CC)cc2)Cc2cccnc2)cn1C ZINC000095940392 569375439 /nfs/dbraw/zinc/37/54/39/569375439.db2.gz YGSLJGOGDKSTJA-UHFFFAOYSA-N 0 0 441.553 3.550 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000095946816 569376169 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IHAARN CC(C)N1C(=O)C[C@@H](C(=O)NCCc2cn3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095988719 569378054 /nfs/dbraw/zinc/37/80/54/569378054.db2.gz QYIBFUIZMLJZFA-VGOFRKELSA-N 0 0 442.922 3.784 50 0 IHAARN COc1cccc([C@@H](C)CC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000095998351 569379089 /nfs/dbraw/zinc/37/90/89/569379089.db2.gz RCMHMQNDLPYSSU-GBXCKJPGSA-N 0 0 435.568 3.529 50 0 IHAARN COc1cccc(CCC(=O)NCc2ncccc2NC(=O)CCc2cccc(OC)c2)c1 ZINC000096010830 569379780 /nfs/dbraw/zinc/37/97/80/569379780.db2.gz PLRRIANEBLBCKN-UHFFFAOYSA-N 0 0 447.535 3.919 50 0 IHAARN Cn1cc(CNC(=O)c2cc3c(s2)CCC3)c(NC(=O)c2cc3c(s2)CCC3)n1 ZINC000096012225 569380019 /nfs/dbraw/zinc/38/00/19/569380019.db2.gz PNWJYHUJQBXRPB-UHFFFAOYSA-N 0 0 426.567 3.703 50 0 IHAARN CCOc1cc2c(cc1/C=C\C(=O)Nc1ccc3ccn(CC(=O)NC)c3c1)O[C@@H](C)C2 ZINC000096035784 569381096 /nfs/dbraw/zinc/38/10/96/569381096.db2.gz GDRAINAUOOONGS-IOBAAEILSA-N 0 0 433.508 3.761 50 0 IHAARN COC(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2C1 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COc1ccc(CNC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)cc1OC ZINC000096386259 569398434 /nfs/dbraw/zinc/39/84/34/569398434.db2.gz XIAXNQBLNKCTKW-UHFFFAOYSA-N 0 0 434.467 3.862 50 0 IHAARN O=C(NCc1cc(F)cc(F)c1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386450 569398546 /nfs/dbraw/zinc/39/85/46/569398546.db2.gz YSWRELVTBFVZOO-UHFFFAOYSA-N 0 0 432.471 3.817 50 0 IHAARN CC(C)c1ccc(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1 ZINC000096398466 569399681 /nfs/dbraw/zinc/39/96/81/569399681.db2.gz PGVTWIINYKHKTC-IBGZPJMESA-N 0 0 426.582 3.765 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)sc2c1 ZINC000096399527 569400180 /nfs/dbraw/zinc/40/01/80/569400180.db2.gz PWVKIUDWZDZFEZ-UHFFFAOYSA-N 0 0 437.568 3.797 50 0 IHAARN CCc1ccc(CNC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 ZINC000096399513 569400193 /nfs/dbraw/zinc/40/01/93/569400193.db2.gz KLAAOHOEOXYJMY-UHFFFAOYSA-N 0 0 435.596 3.639 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCC3CCCCC3)sc2c1 ZINC000096399562 569400200 /nfs/dbraw/zinc/40/02/00/569400200.db2.gz IHYTZBBJXZCGQB-UHFFFAOYSA-N 0 0 427.617 3.847 50 0 IHAARN C[C@H]1CC(=O)NN=C1c1ccc(N2CCN(C(=O)Cc3cccc4ccccc43)CC2)cc1 ZINC000096563985 569401241 /nfs/dbraw/zinc/40/12/41/569401241.db2.gz AHEOTCJREIQMDV-IBGZPJMESA-N 0 0 440.547 3.591 50 0 IHAARN CCOn1cnc2c1OC(OCC(=O)c1ccc(Cl)cc1)=NN2c1ccc(F)cc1 ZINC000096582316 569401775 /nfs/dbraw/zinc/40/17/75/569401775.db2.gz FTMMJNKMASTNSI-UHFFFAOYSA-N 0 0 430.823 3.825 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000097000464 569402861 /nfs/dbraw/zinc/40/28/61/569402861.db2.gz BUZQZGCWYZFLMM-UHFFFAOYSA-N 0 0 445.523 3.582 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCc3cccs3)c3ccccc3C(=O)N1CC2 ZINC000002468458 569403958 /nfs/dbraw/zinc/40/39/58/569403958.db2.gz RVYOXOGKXOQMRN-GOTSBHOMSA-N 0 0 448.544 3.919 50 0 IHAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002478458 569404627 /nfs/dbraw/zinc/40/46/27/569404627.db2.gz LUTMGRXRNZKQMJ-UHFFFAOYSA-N 0 0 439.562 3.946 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 ZINC000225738805 569407770 /nfs/dbraw/zinc/40/77/70/569407770.db2.gz BVPLPJMAUAFPHI-HXUWFJFHSA-N 0 0 438.549 3.639 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000028228567 569409312 /nfs/dbraw/zinc/40/93/12/569409312.db2.gz WUKUQZINIBFXAP-DYESRHJHSA-N 0 0 441.524 3.962 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C ZINC000002569228 569409790 /nfs/dbraw/zinc/40/97/90/569409790.db2.gz FMTJWIZKQPAEBC-INIZCTEOSA-N 0 0 425.340 3.891 50 0 IHAARN COCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1C ZINC000002617233 569410373 /nfs/dbraw/zinc/41/03/73/569410373.db2.gz YVIZHWPLCZRIDK-UHFFFAOYSA-N 0 0 443.931 3.998 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000002619372 569410727 /nfs/dbraw/zinc/41/07/27/569410727.db2.gz FHPARJVJRGEKNB-UHFFFAOYSA-N 0 0 445.504 3.848 50 0 IHAARN C[C@H]1CCc2c(sc3nc(SCC(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)C1 ZINC000002639672 569413347 /nfs/dbraw/zinc/41/33/47/569413347.db2.gz ANKHTAHIHBEHOT-ZDUSSCGKSA-N 0 0 425.579 3.943 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1 ZINC000002646293 569414222 /nfs/dbraw/zinc/41/42/22/569414222.db2.gz DWTFCOWVMFCTJY-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000002652487 569415061 /nfs/dbraw/zinc/41/50/61/569415061.db2.gz IOMLCZWKZRAEJN-UHFFFAOYSA-N 0 0 438.549 3.660 50 0 IHAARN CCc1ccc(Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1 ZINC000002657950 569415657 /nfs/dbraw/zinc/41/56/57/569415657.db2.gz POAVKOMUWCYXJH-UHFFFAOYSA-N 0 0 428.539 3.981 50 0 IHAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1 ZINC000002663991 569416362 /nfs/dbraw/zinc/41/63/62/569416362.db2.gz CUVNVCSXZVANGY-MRXNPFEDSA-N 0 0 438.549 3.967 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000002664752 569416524 /nfs/dbraw/zinc/41/65/24/569416524.db2.gz 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Cc1c(C(=O)NC(C)C)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000002925796 569425635 /nfs/dbraw/zinc/42/56/35/569425635.db2.gz ZKQFZEPKFBWQTF-UHFFFAOYSA-N 0 0 432.933 3.505 50 0 IHAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N1CCCC1 ZINC000002927219 569425777 /nfs/dbraw/zinc/42/57/77/569425777.db2.gz KSYSQVNHUVYJEX-INIZCTEOSA-N 0 0 444.992 3.991 50 0 IHAARN Cc1ccc(CNC(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000002938569 569426551 /nfs/dbraw/zinc/42/65/51/569426551.db2.gz WKODFZMYDNFUBE-IBGZPJMESA-N 0 0 432.929 3.968 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)cc3OC)c3ccccc3c2=O)cc1 ZINC000002943167 569426926 /nfs/dbraw/zinc/42/69/26/569426926.db2.gz MFRBCSWAYDIULO-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1ccccc1-c1cc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)[nH]n1 ZINC000056907416 569427533 /nfs/dbraw/zinc/42/75/33/569427533.db2.gz MWUFBLBMNCLEMQ-UHFFFAOYSA-N 0 0 430.512 3.984 50 0 IHAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)CCc3csc4nc(C5CC5)cn34)nc21 ZINC000056903755 569427555 /nfs/dbraw/zinc/42/75/55/569427555.db2.gz MSFSLEGSOQRQPA-ZDUSSCGKSA-N 0 0 430.555 3.894 50 0 IHAARN Cc1cc(NC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)n(C)n1 ZINC000029267965 569429471 /nfs/dbraw/zinc/42/94/71/569429471.db2.gz VWBKZPZMDYDNFK-UHFFFAOYSA-N 0 0 436.082 3.577 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000230075248 569433283 /nfs/dbraw/zinc/43/32/83/569433283.db2.gz BAZJKDYIWBGCDB-ZLNRFVROSA-N 0 0 443.478 3.702 50 0 IHAARN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415552 569434126 /nfs/dbraw/zinc/43/41/26/569434126.db2.gz NEGPRLDWJLBYPF-QHCPKHFHSA-N 0 0 437.515 3.561 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1 ZINC000057416596 569434236 /nfs/dbraw/zinc/43/42/36/569434236.db2.gz DEVMFMUERVNTDB-QGZVFWFLSA-N 0 0 429.923 3.798 50 0 IHAARN C[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000002981886 569434303 /nfs/dbraw/zinc/43/43/03/569434303.db2.gz 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569437614 /nfs/dbraw/zinc/43/76/14/569437614.db2.gz IZGHMIZXNWFDBO-UHFFFAOYSA-N 0 0 426.897 3.915 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCc3cccs3)c2=O)c1 ZINC000057493943 569437647 /nfs/dbraw/zinc/43/76/47/569437647.db2.gz GMXBALKGOVDKEH-UHFFFAOYSA-N 0 0 439.562 3.730 50 0 IHAARN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000003031440 569437699 /nfs/dbraw/zinc/43/76/99/569437699.db2.gz RLGHPUYSSGGYOB-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1OC ZINC000057511215 569438602 /nfs/dbraw/zinc/43/86/02/569438602.db2.gz NDHNRDKHEJNVGR-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)cc1 ZINC000057511823 569438610 /nfs/dbraw/zinc/43/86/10/569438610.db2.gz XFRCANGOCKYAKT-UHFFFAOYSA-N 0 0 436.447 3.662 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000230128649 569438804 /nfs/dbraw/zinc/43/88/04/569438804.db2.gz QWHGJJNMUUWAIW-UPVQGACJSA-N 0 0 435.499 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ZINC000003324264 569446158 /nfs/dbraw/zinc/44/61/58/569446158.db2.gz GSSJJLNUSBQIKM-UHFFFAOYSA-N 0 0 445.471 3.770 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000003325399 569446175 /nfs/dbraw/zinc/44/61/75/569446175.db2.gz DYFORTVIQLXSGG-UHFFFAOYSA-N 0 0 427.429 3.569 50 0 IHAARN CSc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000003340279 569446800 /nfs/dbraw/zinc/44/68/00/569446800.db2.gz BVAPXAFRIDNSBG-UHFFFAOYSA-N 0 0 434.514 3.970 50 0 IHAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000003344665 569447022 /nfs/dbraw/zinc/44/70/22/569447022.db2.gz PJMNZOZVXIGIDC-UHFFFAOYSA-N 0 0 436.414 3.966 50 0 IHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc([C@H](CC)N(C)C)o1 ZINC000003349093 569447282 /nfs/dbraw/zinc/44/72/82/569447282.db2.gz MZYBKGVYSLPDGT-ZDUSSCGKSA-N 0 0 438.575 3.929 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1N ZINC000003351648 569447360 /nfs/dbraw/zinc/44/73/60/569447360.db2.gz CVZBTWHHDIJTTP-UHFFFAOYSA-N 0 0 425.558 3.587 50 0 IHAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccccc1 ZINC000003353270 569447455 /nfs/dbraw/zinc/44/74/55/569447455.db2.gz DQFVGMLTMGFQII-SFHVURJKSA-N 0 0 449.528 3.862 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc3ccccc3cc2O)cc1OCC ZINC000003361499 569447915 /nfs/dbraw/zinc/44/79/15/569447915.db2.gz GXHMUBJXFZQFLC-UHFFFAOYSA-N 0 0 437.492 3.859 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000504693387 569448835 /nfs/dbraw/zinc/44/88/35/569448835.db2.gz WPZSRZATXSVFMF-VGSWGCGISA-N 0 0 434.540 3.541 50 0 IHAARN O=C(NCc1nc2ccccc2s1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000003437973 569451110 /nfs/dbraw/zinc/45/11/10/569451110.db2.gz SKXJYTCPVIYMOD-UHFFFAOYSA-N 0 0 426.501 3.985 50 0 IHAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003438646 569451120 /nfs/dbraw/zinc/45/11/20/569451120.db2.gz MTMNZOCWJHEPFV-UHFFFAOYSA-N 0 0 447.822 3.965 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2C)no1 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569453124 /nfs/dbraw/zinc/45/31/24/569453124.db2.gz YFOCRVZNTVIUEZ-UHFFFAOYSA-N 0 0 437.901 3.520 50 0 IHAARN COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(OC)c1 ZINC000003521976 569453198 /nfs/dbraw/zinc/45/31/98/569453198.db2.gz LONKLTMBBALHNR-UHFFFAOYSA-N 0 0 430.551 3.866 50 0 IHAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O ZINC000003521728 569453241 /nfs/dbraw/zinc/45/32/41/569453241.db2.gz BKYFZDPBQOSUNU-NSHDSACASA-N 0 0 440.916 3.745 50 0 IHAARN O=C(COC(=O)c1ccccc1I)c1ccc(OC(F)F)cc1 ZINC000003525433 569453295 /nfs/dbraw/zinc/45/32/95/569453295.db2.gz KKTDPJCIXNZTNH-UHFFFAOYSA-N 0 0 432.160 3.932 50 0 IHAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000003558139 569453963 /nfs/dbraw/zinc/45/39/63/569453963.db2.gz FMGCUBWNTDRJTC-IBGZPJMESA-N 0 0 447.520 3.875 50 0 IHAARN Cc1nn(C[C@H](O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000058393432 569454141 /nfs/dbraw/zinc/45/41/41/569454141.db2.gz GEQZGKIRDFODOC-FQEVSTJZSA-N 0 0 431.945 3.638 50 0 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569461713 /nfs/dbraw/zinc/46/17/13/569461713.db2.gz ZMNSGFVASPUUCU-UHFFFAOYSA-N 0 0 426.416 3.663 50 0 IHAARN CCOC(=O)N1CCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000032480022 569461873 /nfs/dbraw/zinc/46/18/73/569461873.db2.gz JEUGEQAMKYADOK-UHFFFAOYSA-N 0 0 430.526 3.921 50 0 IHAARN CCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 ZINC000004291110 569461894 /nfs/dbraw/zinc/46/18/94/569461894.db2.gz IKVRFFSTILNCAW-NRFANRHFSA-N 0 0 434.500 3.788 50 0 IHAARN Cc1ccc(N(CC(=O)NCC[C@@H](c2ccco2)c2ccccc2)S(C)(=O)=O)cc1 ZINC000670469975 569462499 /nfs/dbraw/zinc/46/24/99/569462499.db2.gz BLBVHJXLJZNLSV-OAQYLSRUSA-N 0 0 426.538 3.692 50 0 IHAARN O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCc1ccccc1 ZINC000038486882 569462857 /nfs/dbraw/zinc/46/28/57/569462857.db2.gz JPIRDXUVOALFIV-UHFFFAOYSA-N 0 0 446.511 3.634 50 0 IHAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccccc2s1 ZINC000038561553 569464014 /nfs/dbraw/zinc/46/40/14/569464014.db2.gz UEJCZMSMMUSACD-AWEZNQCLSA-N 0 0 435.596 3.721 50 0 IHAARN COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204786 569464536 /nfs/dbraw/zinc/46/45/36/569464536.db2.gz DSWIVDQWQVSMIC-HSZRJFAPSA-N 0 0 437.515 3.561 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000067205536 569464621 /nfs/dbraw/zinc/46/46/21/569464621.db2.gz PWWAQSRUBVFBEP-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)c1 ZINC000067208537 569464700 /nfs/dbraw/zinc/46/47/00/569464700.db2.gz IYSVYTZCPOYIAY-UHFFFAOYSA-N 0 0 437.459 3.553 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236850 569465428 /nfs/dbraw/zinc/46/54/28/569465428.db2.gz DPPQETMGBZOKRS-UHFFFAOYSA-N 0 0 448.504 3.524 50 0 IHAARN Cc1cc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237762 569465518 /nfs/dbraw/zinc/46/55/18/569465518.db2.gz LEUIIXXURZIJKA-INIZCTEOSA-N 0 0 426.586 3.919 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC ZINC000067238875 569465624 /nfs/dbraw/zinc/46/56/24/569465624.db2.gz YOHOAOVVBGWAGX-AWEZNQCLSA-N 0 0 442.541 3.912 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N1CCOc2ccc(C)cc21 ZINC000067239054 569465638 /nfs/dbraw/zinc/46/56/38/569465638.db2.gz TWTNUWLPJABQCB-HNNXBMFYSA-N 0 0 426.542 3.830 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000067238694 569465651 /nfs/dbraw/zinc/46/56/51/569465651.db2.gz PEVZGWMSOUXXGK-ZDUSSCGKSA-N 0 0 430.530 3.752 50 0 IHAARN CSc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccs3)nn12 ZINC000038669865 569466414 /nfs/dbraw/zinc/46/64/14/569466414.db2.gz JNMUQSUDQGFLPW-UHFFFAOYSA-N 0 0 443.579 3.539 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O)NC1CCCCC1 ZINC000067291933 569467728 /nfs/dbraw/zinc/46/77/28/569467728.db2.gz VAIPUZMHPRUZNR-UHFFFAOYSA-N 0 0 445.519 3.601 50 0 IHAARN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000067300780 569468239 /nfs/dbraw/zinc/46/82/39/569468239.db2.gz DGWGWIPLLQZRRH-MRXNPFEDSA-N 0 0 439.943 3.593 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C ZINC000067322130 569468600 /nfs/dbraw/zinc/46/86/00/569468600.db2.gz KCPKCQFQFGBKDG-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c(C)cc2nc(SC)n(CC(C)C)c(=O)c21 ZINC000067320077 569468640 /nfs/dbraw/zinc/46/86/40/569468640.db2.gz AYEBQRABQHYIQN-UHFFFAOYSA-N 0 0 428.558 3.840 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4F)nc23)c(C)c1 ZINC000067340063 569468973 /nfs/dbraw/zinc/46/89/73/569468973.db2.gz IHWITTLPIGMIAW-UHFFFAOYSA-N 0 0 437.500 3.745 50 0 IHAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)cc1 ZINC000067341507 569469055 /nfs/dbraw/zinc/46/90/55/569469055.db2.gz DGTNVUXNWWJVPL-UHFFFAOYSA-N 0 0 430.395 3.544 50 0 IHAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000038850610 569469257 /nfs/dbraw/zinc/46/92/57/569469257.db2.gz JVPRPJYIWOCOCZ-MRXNPFEDSA-N 0 0 448.850 3.833 50 0 IHAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CC(=O)c1ccc(F)cc1)n2C ZINC000008591770 569469276 /nfs/dbraw/zinc/46/92/76/569469276.db2.gz IPLOENNDKNCGKM-UHFFFAOYSA-N 0 0 441.462 3.975 50 0 IHAARN Cc1cccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1 ZINC000038925537 569469517 /nfs/dbraw/zinc/46/95/17/569469517.db2.gz MFLLTBQVXJKUBA-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN COc1cc(C(=O)NCCCOc2cccc(C[NH+]3CCCCC3)c2)cc(OC)c1OC ZINC000038992027 569469986 /nfs/dbraw/zinc/46/99/86/569469986.db2.gz YRDOIRMVWBDHOA-UHFFFAOYSA-N 0 0 442.556 3.897 50 0 IHAARN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(Br)cc1 ZINC000008704544 569470270 /nfs/dbraw/zinc/47/02/70/569470270.db2.gz VCLSXXWIWBWIQU-MRXNPFEDSA-N 0 0 441.347 3.846 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000008707779 569470632 /nfs/dbraw/zinc/47/06/32/569470632.db2.gz LKHUELPYNWXFCH-UHFFFAOYSA-N 0 0 448.548 3.690 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1cc2ccccc2o1 ZINC000008708343 569470663 /nfs/dbraw/zinc/47/06/63/569470663.db2.gz ACIICPQWCANECL-AWEZNQCLSA-N 0 0 435.509 3.783 50 0 IHAARN O=C(CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 ZINC000008709154 569470732 /nfs/dbraw/zinc/47/07/32/569470732.db2.gz VDNZWLBRNHOQAN-UHFFFAOYSA-N 0 0 440.858 3.844 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)CC2 ZINC000008711010 569470979 /nfs/dbraw/zinc/47/09/79/569470979.db2.gz QNYXFKKKJWRSNS-UHFFFAOYSA-N 0 0 438.553 3.578 50 0 IHAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc2c(c1)NC(=O)CO2 ZINC000008752057 569473534 /nfs/dbraw/zinc/47/35/34/569473534.db2.gz OPLGODYOCYSVNN-UHFFFAOYSA-N 0 0 442.806 3.707 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc2n1 ZINC000008752666 569473576 /nfs/dbraw/zinc/47/35/76/569473576.db2.gz XYQNAAFHVWRERT-IRXDYDNUSA-N 0 0 439.537 3.593 50 0 IHAARN CCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000008752580 569473596 /nfs/dbraw/zinc/47/35/96/569473596.db2.gz XUGNIJZMNMZGEU-HXUWFJFHSA-N 0 0 438.553 3.666 50 0 IHAARN O=C([C@@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCOCC1 ZINC000008752723 569473599 /nfs/dbraw/zinc/47/35/99/569473599.db2.gz PWFKTQFVOFURON-SFHVURJKSA-N 0 0 426.567 3.842 50 0 IHAARN CC(C)CCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000008765062 569474664 /nfs/dbraw/zinc/47/46/64/569474664.db2.gz DEFCISKAOIUPOF-UWJYYQICSA-N 0 0 426.561 3.742 50 0 biogenic IHAARN CC(C)CCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000008765061 569474670 /nfs/dbraw/zinc/47/46/70/569474670.db2.gz DEFCISKAOIUPOF-UTKZUKDTSA-N 0 0 426.561 3.742 50 0 biogenic IHAARN COc1ccc(-c2coc3cc(OCC(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1 ZINC000008765304 569474715 /nfs/dbraw/zinc/47/47/15/569474715.db2.gz QBSNWMDUQQBDMK-UHFFFAOYSA-N 0 0 445.471 3.912 50 0 biogenic IHAARN COc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1OC ZINC000008768243 569474945 /nfs/dbraw/zinc/47/49/45/569474945.db2.gz SSXNEDQNRDMPET-IBGZPJMESA-N 0 0 449.345 3.537 50 0 IHAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000008768860 569475007 /nfs/dbraw/zinc/47/50/07/569475007.db2.gz UJCJUCNMJHWHKN-QGZVFWFLSA-N 0 0 445.541 3.684 50 0 IHAARN COc1ccc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCC2)cc1 ZINC000008770664 569475198 /nfs/dbraw/zinc/47/51/98/569475198.db2.gz BUHASLQFKFTXRL-ATJXCDBQSA-N 0 0 442.928 3.573 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1Cl ZINC000008772021 569475213 /nfs/dbraw/zinc/47/52/13/569475213.db2.gz KVMKNUNKRGNHRN-UHFFFAOYSA-N 0 0 426.922 3.640 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008777478 569475400 /nfs/dbraw/zinc/47/54/00/569475400.db2.gz JDYTXTVWTRMCEZ-VWLOTQADSA-N 0 0 443.459 3.647 50 0 IHAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc5c(c4)OCO5)c12)OC(C)(C)CC3 ZINC000008791625 569476278 /nfs/dbraw/zinc/47/62/78/569476278.db2.gz YNOORVUMWUVIET-UHFFFAOYSA-N 0 0 437.448 3.951 50 0 biogenic IHAARN Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000008799392 569476468 /nfs/dbraw/zinc/47/64/68/569476468.db2.gz VLFVXKKYIOXSQS-UHFFFAOYSA-N 0 0 428.444 3.587 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)COc1ncnc3c(Cl)cc(Cl)cc13)OCO2 ZINC000039210275 569476628 /nfs/dbraw/zinc/47/66/28/569476628.db2.gz JMQLZNROZSWGPH-UHFFFAOYSA-N 0 0 434.235 3.885 50 0 IHAARN Cc1nc(NC(=O)COc2ccc(Br)cc2)ccc1I ZINC000008832021 569477876 /nfs/dbraw/zinc/47/78/76/569477876.db2.gz CKLFVPRMUMJBJO-UHFFFAOYSA-N 0 0 447.070 3.775 50 0 IHAARN COc1ccccc1CNC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008851881 569479389 /nfs/dbraw/zinc/47/93/89/569479389.db2.gz DEPMQVUGELTAFD-UHFFFAOYSA-N 0 0 445.541 3.881 50 0 IHAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)s1 ZINC000008855960 569479743 /nfs/dbraw/zinc/47/97/43/569479743.db2.gz SVYHGIBVEPCAJU-UHFFFAOYSA-N 0 0 433.574 3.628 50 0 IHAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000008862109 569480094 /nfs/dbraw/zinc/48/00/94/569480094.db2.gz JSZUAAUTCAYCIA-AWEZNQCLSA-N 0 0 442.566 3.880 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008869252 569480448 /nfs/dbraw/zinc/48/04/48/569480448.db2.gz NWADRIYZTZCAHC-CYBMUJFWSA-N 0 0 432.325 3.815 50 0 IHAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008879660 569481401 /nfs/dbraw/zinc/48/14/01/569481401.db2.gz FDXXPBRMRRBVNM-UHFFFAOYSA-N 0 0 446.898 3.562 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccs2)c1 ZINC000008879930 569481428 /nfs/dbraw/zinc/48/14/28/569481428.db2.gz SIQOLAPSSBQPPV-UHFFFAOYSA-N 0 0 443.550 3.568 50 0 IHAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc3ccccc32)C1=O ZINC000008880681 569481524 /nfs/dbraw/zinc/48/15/24/569481524.db2.gz IJXBQRVHGXOTPS-MRDQGFSESA-N 0 0 445.519 3.579 50 0 IHAARN O=C(NCCc1cccc2cccnc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000039548135 569481734 /nfs/dbraw/zinc/48/17/34/569481734.db2.gz WCLHJQNQEQLNKZ-UHFFFAOYSA-N 0 0 443.956 3.645 50 0 IHAARN CCOn1cnc2c1OC(OCC(=O)c1ccc(Cl)cc1)=NN2c1ccc(C)cc1 ZINC000039929540 569481969 /nfs/dbraw/zinc/48/19/69/569481969.db2.gz ZIGFSNFZNLEHBE-UHFFFAOYSA-N 0 0 426.860 3.994 50 0 IHAARN COc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(OC)c3OC)n2)c1OC ZINC000039930677 569482024 /nfs/dbraw/zinc/48/20/24/569482024.db2.gz MWTLPGVGLXPFJR-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3c(C)nn(Cc4ccccc4Cl)c3Cl)CC2)on1 ZINC000040013321 569482593 /nfs/dbraw/zinc/48/25/93/569482593.db2.gz GPFQTUWAOIRORW-UHFFFAOYSA-N 0 0 448.354 3.801 50 0 IHAARN Cc1nc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)sc1CC(N)=O ZINC000040025069 569482819 /nfs/dbraw/zinc/48/28/19/569482819.db2.gz NEGFBOOETLWIEJ-UHFFFAOYSA-N 0 0 425.579 3.819 50 0 IHAARN CSCc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008884315 569483141 /nfs/dbraw/zinc/48/31/41/569483141.db2.gz KEBSYOYQCOVIQJ-UHFFFAOYSA-N 0 0 438.505 3.984 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000040033888 569483181 /nfs/dbraw/zinc/48/31/81/569483181.db2.gz VWGUMXAXXUIHOB-IBGZPJMESA-N 0 0 429.929 3.622 50 0 IHAARN O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000040034668 569483247 /nfs/dbraw/zinc/48/32/47/569483247.db2.gz ZWLCKAZKQQXMIY-ZDUSSCGKSA-N 0 0 425.601 3.513 50 0 IHAARN CC(C)(C)c1cc(NC(=O)COc2cccc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000040039738 569483309 /nfs/dbraw/zinc/48/33/09/569483309.db2.gz OHHKFIQLGCYRPA-KRWDZBQOSA-N 0 0 441.553 3.711 50 0 IHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)c1 ZINC000040039562 569483351 /nfs/dbraw/zinc/48/33/51/569483351.db2.gz GXRZDRUSUPRDGJ-UHFFFAOYSA-N 0 0 440.931 3.705 50 0 IHAARN CSc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 ZINC000040040474 569483469 /nfs/dbraw/zinc/48/34/69/569483469.db2.gz CXHDXJZDPNZOJZ-ZDUSSCGKSA-N 0 0 440.550 3.968 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSCC(=O)N2CCc3sccc3C2)n1 ZINC000040051412 569484452 /nfs/dbraw/zinc/48/44/52/569484452.db2.gz MFVMLDCHEBZHHT-UHFFFAOYSA-N 0 0 440.598 3.639 50 0 IHAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000040056805 569484568 /nfs/dbraw/zinc/48/45/68/569484568.db2.gz GFEHCPMXUNLSGB-OAHLLOKOSA-N 0 0 441.528 3.737 50 0 IHAARN CCOc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC(C)C)cc1 ZINC000008913930 569485436 /nfs/dbraw/zinc/48/54/36/569485436.db2.gz LQEIJWJNUWOURT-ILSIFQBBSA-N 0 0 448.556 3.524 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)oc2c1 ZINC000008916287 569485725 /nfs/dbraw/zinc/48/57/25/569485725.db2.gz BOPLZPGHVZDQMF-INIZCTEOSA-N 0 0 440.521 3.917 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008917665 569486048 /nfs/dbraw/zinc/48/60/48/569486048.db2.gz LVVBKMZJKPYXBO-INIZCTEOSA-N 0 0 446.327 3.727 50 0 IHAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccccc3OC)C2=O)cc1OC ZINC000008919133 569486398 /nfs/dbraw/zinc/48/63/98/569486398.db2.gz UUXDWZYXDPGYAA-SANMLTNESA-N 0 0 447.487 3.720 50 0 IHAARN Cc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)c(C)c1 ZINC000040083204 569486655 /nfs/dbraw/zinc/48/66/55/569486655.db2.gz 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Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000040114449 569489142 /nfs/dbraw/zinc/48/91/42/569489142.db2.gz CQEMCNJQNRAABH-UHFFFAOYSA-N 0 0 429.459 3.995 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nc(N3CCCCC3)ncc2Cl)c(C)c1 ZINC000040119600 569489445 /nfs/dbraw/zinc/48/94/45/569489445.db2.gz BSMZNZPHCJOYTI-UHFFFAOYSA-N 0 0 429.952 3.756 50 0 IHAARN CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3N3CCOCC3)ccc2s1 ZINC000040121009 569489476 /nfs/dbraw/zinc/48/94/76/569489476.db2.gz OVSKMBVJVUDDBA-UHFFFAOYSA-N 0 0 440.525 3.631 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1F ZINC000040127489 569489672 /nfs/dbraw/zinc/48/96/72/569489672.db2.gz SJLOMFQWPFHRHI-UHFFFAOYSA-N 0 0 426.517 3.583 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2cccs2)ccc1=O ZINC000008954872 569490033 /nfs/dbraw/zinc/49/00/33/569490033.db2.gz YDBRHAAWFUGLQD-LBPRGKRZSA-N 0 0 438.336 3.862 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)Cn3nnc(-c4ccccc4Br)n3)c2C)no1 ZINC000008965623 569491510 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C[C@@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000009152762 569507874 /nfs/dbraw/zinc/50/78/74/569507874.db2.gz UVUZLGXHTHDIBX-RYUDHWBXSA-N 0 0 438.958 3.964 50 0 IHAARN CN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000009155951 569508321 /nfs/dbraw/zinc/50/83/21/569508321.db2.gz LKAVJUQFSAPZDR-UHFFFAOYSA-N 0 0 447.520 3.545 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000009156489 569508366 /nfs/dbraw/zinc/50/83/66/569508366.db2.gz XRUNMXNEEJSOPC-AWEZNQCLSA-N 0 0 435.293 3.608 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 ZINC000040556275 569508641 /nfs/dbraw/zinc/50/86/41/569508641.db2.gz BQVFWYRTEWTZGD-FIXSFTCYSA-N 0 0 447.579 3.817 50 0 IHAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C ZINC000009165896 569508872 /nfs/dbraw/zinc/50/88/72/569508872.db2.gz NVFYKCSMJZRPKA-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1C ZINC000009187310 569510303 /nfs/dbraw/zinc/51/03/03/569510303.db2.gz YVBIYWWFHJAGLP-UHFFFAOYSA-N 0 0 437.504 3.536 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000009192830 569510758 /nfs/dbraw/zinc/51/07/58/569510758.db2.gz LDWUWPXINXPLHH-QJOMJCCJSA-N 0 0 440.503 3.701 50 0 IHAARN CCc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2c1 ZINC000009194487 569510926 /nfs/dbraw/zinc/51/09/26/569510926.db2.gz XMDGEIPHKOPNSM-UHFFFAOYSA-N 0 0 428.491 3.621 50 0 IHAARN CCOc1ccc(-c2nonc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC ZINC000009194954 569510942 /nfs/dbraw/zinc/51/09/42/569510942.db2.gz BLUJOQIWQRDPSW-UHFFFAOYSA-N 0 0 443.456 3.812 50 0 IHAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)c1 ZINC000009197147 569511043 /nfs/dbraw/zinc/51/10/43/569511043.db2.gz SZCBCGMZPPFSPV-LLVKDONJSA-N 0 0 437.265 3.597 50 0 IHAARN CCCCN(C)S(=O)(=O)N1CCC2(C[C@H]2c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000069652447 569511478 /nfs/dbraw/zinc/51/14/78/569511478.db2.gz ZDAVAEFNNPJOGY-KRWDZBQOSA-N 0 0 438.981 3.936 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009216827 569512195 /nfs/dbraw/zinc/51/21/95/569512195.db2.gz OOZFXEVTZMMHTP-UHFFFAOYSA-N 0 0 431.945 3.578 50 0 IHAARN CN(C)C(=O)[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 ZINC000009219729 569512470 /nfs/dbraw/zinc/51/24/70/569512470.db2.gz NYMYNHHBMIJIHP-SFHVURJKSA-N 0 0 428.286 3.826 50 0 IHAARN C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc2c(c1)OCCO2 ZINC000009222769 569512863 /nfs/dbraw/zinc/51/28/63/569512863.db2.gz QLKVMECMRTZWBR-CYBMUJFWSA-N 0 0 436.493 3.959 50 0 IHAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O ZINC000009223410 569512952 /nfs/dbraw/zinc/51/29/52/569512952.db2.gz FEVRTCBXMNDAFR-UKRRQHHQSA-N 0 0 445.313 3.769 50 0 IHAARN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccc(Cl)cc1 ZINC000009226333 569513260 /nfs/dbraw/zinc/51/32/60/569513260.db2.gz KJYMHNZFKIRULZ-NWDGAFQWSA-N 0 0 438.958 3.821 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000009227687 569513441 /nfs/dbraw/zinc/51/34/41/569513441.db2.gz FVZDCCBQBKEMQK-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1C(F)(F)F ZINC000009227746 569513522 /nfs/dbraw/zinc/51/35/22/569513522.db2.gz QAMBFGSZXSICGA-UHFFFAOYSA-N 0 0 442.459 3.944 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000009238643 569514362 /nfs/dbraw/zinc/51/43/62/569514362.db2.gz FILXEVQQHXEUBN-OALUTQOASA-N 0 0 443.960 3.632 50 0 IHAARN CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000009238715 569514382 /nfs/dbraw/zinc/51/43/82/569514382.db2.gz VGIBQERBPUDXEA-ZWKOTPCHSA-N 0 0 443.960 3.892 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239204 569514469 /nfs/dbraw/zinc/51/44/69/569514469.db2.gz WFIRXHUAWQCWGW-MOPGFXCFSA-N 0 0 427.505 3.776 50 0 IHAARN Cc1ccc2nc(NC(=O)CSc3nnc4ccc(-c5ccncc5)nn43)sc2c1 ZINC000009241449 569514686 /nfs/dbraw/zinc/51/46/86/569514686.db2.gz 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CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c1 ZINC000009273755 569518088 /nfs/dbraw/zinc/51/80/88/569518088.db2.gz CGPSOYFFGJYPTJ-MRXNPFEDSA-N 0 0 440.565 3.739 50 0 IHAARN CCOC(=O)C1=C(NC(=O)c2ccc(COC(C)=O)cc2)Nc2ccccc2N=C1CC ZINC000009285385 569519197 /nfs/dbraw/zinc/51/91/97/569519197.db2.gz WSDRFKAJNNAILU-UHFFFAOYSA-N 0 0 435.480 3.862 50 0 IHAARN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc2c(c1)OCO2 ZINC000009289996 569519720 /nfs/dbraw/zinc/51/97/20/569519720.db2.gz LHQBVEVHKROYQG-UHFFFAOYSA-N 0 0 440.569 3.871 50 0 IHAARN CCOC(=O)c1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cn1C ZINC000009290296 569519767 /nfs/dbraw/zinc/51/97/67/569519767.db2.gz SREIIWVKPPOHTE-UHFFFAOYSA-N 0 0 426.538 3.635 50 0 IHAARN CC(=O)N[C@@H](CSc1cc(C)nc2ccc(Br)cc21)C(=O)OC(C)C ZINC000009309707 569521672 /nfs/dbraw/zinc/52/16/72/569521672.db2.gz AVSXWJXDSKAHJG-INIZCTEOSA-N 0 0 425.348 3.854 50 0 IHAARN COc1cc(OC)cc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1 ZINC000009316105 569522167 /nfs/dbraw/zinc/52/21/67/569522167.db2.gz JBDRVXSIVFIIII-UHFFFAOYSA-N 0 0 440.500 3.895 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1 ZINC000009315850 569522187 /nfs/dbraw/zinc/52/21/87/569522187.db2.gz OQFNFXUCIMHJGY-UHFFFAOYSA-N 0 0 425.510 3.780 50 0 IHAARN COC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 ZINC000009325313 569522719 /nfs/dbraw/zinc/52/27/19/569522719.db2.gz RDOICLIACHSBSP-UHFFFAOYSA-N 0 0 434.326 3.592 50 0 IHAARN CCNC(=O)CN(CC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c21 ZINC000069898217 569523000 /nfs/dbraw/zinc/52/30/00/569523000.db2.gz BFMOHEYPQZYNIZ-UHFFFAOYSA-N 0 0 434.418 3.815 50 0 IHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009337511 569523614 /nfs/dbraw/zinc/52/36/14/569523614.db2.gz QFJLGNHAQLQXFG-IBGZPJMESA-N 0 0 440.487 3.608 50 0 IHAARN Cc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009339207 569523716 /nfs/dbraw/zinc/52/37/16/569523716.db2.gz RVMCUDXLESTZCT-JOCHJYFZSA-N 0 0 429.586 3.801 50 0 IHAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cc(OC)cc(OC)c3)c21 ZINC000009341105 569523878 /nfs/dbraw/zinc/52/38/78/569523878.db2.gz GCPJBJURLGKIMZ-UHFFFAOYSA-N 0 0 426.469 3.942 50 0 IHAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 ZINC000009366531 569526275 /nfs/dbraw/zinc/52/62/75/569526275.db2.gz CEHMXDZKDGERHQ-UHFFFAOYSA-N 0 0 440.550 3.871 50 0 IHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2C)cc1 ZINC000009366914 569526305 /nfs/dbraw/zinc/52/63/05/569526305.db2.gz UJBKGRNVZZTPII-UHFFFAOYSA-N 0 0 436.493 3.933 50 0 IHAARN CCOC(=O)CSc1nnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)s1 ZINC000009366908 569526355 /nfs/dbraw/zinc/52/63/55/569526355.db2.gz JXRMFJPOJSLGDR-UHFFFAOYSA-N 0 0 427.507 3.677 50 0 IHAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O ZINC000069980524 569526900 /nfs/dbraw/zinc/52/69/00/569526900.db2.gz VHKNOSQZLCKARV-LFPIHBKWSA-N 0 0 449.486 3.808 50 0 IHAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 ZINC000009377022 569527362 /nfs/dbraw/zinc/52/73/62/569527362.db2.gz RPOZUHRKRDCGOE-ZDUSSCGKSA-N 0 0 444.488 3.888 50 0 IHAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccccc1C ZINC000009379753 569527830 /nfs/dbraw/zinc/52/78/30/569527830.db2.gz HVYFLMWXVHTUMF-UHFFFAOYSA-N 0 0 448.479 3.877 50 0 IHAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O ZINC000070008890 569528025 /nfs/dbraw/zinc/52/80/25/569528025.db2.gz KVQUJTQFLXUVOW-HSZRJFAPSA-N 0 0 440.425 3.746 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccco1)C1=CCCCC1 ZINC000009389670 569528568 /nfs/dbraw/zinc/52/85/68/569528568.db2.gz MDAXBKARORAANE-QFIPXVFZSA-N 0 0 446.507 3.711 50 0 IHAARN CCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009390415 569528628 /nfs/dbraw/zinc/52/86/28/569528628.db2.gz LSIQTIMZLDDYEC-UHFFFAOYSA-N 0 0 425.510 3.699 50 0 IHAARN O=C1c2ccccc2C(=O)N1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000009393720 569529109 /nfs/dbraw/zinc/52/91/09/569529109.db2.gz 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Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009416540 569532307 /nfs/dbraw/zinc/53/23/07/569532307.db2.gz KICVYYWYDFFOHD-UHFFFAOYSA-N 0 0 433.439 3.614 50 0 IHAARN COc1ccccc1N1C(=O)N[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O ZINC000009419483 569532525 /nfs/dbraw/zinc/53/25/25/569532525.db2.gz CAVLMCDBAQRPJT-OAQYLSRUSA-N 0 0 449.429 3.738 50 0 IHAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000009419826 569532608 /nfs/dbraw/zinc/53/26/08/569532608.db2.gz ICIOZYMTORAOEL-UHFFFAOYSA-N 0 0 440.438 3.620 50 0 IHAARN COc1cccc2ccc([C@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)Nc4ncnn43)nc21 ZINC000009422101 569532845 /nfs/dbraw/zinc/53/28/45/569532845.db2.gz QJVRABKZJRSWJG-NRFANRHFSA-N 0 0 446.898 3.818 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 ZINC000009426717 569533319 /nfs/dbraw/zinc/53/33/19/569533319.db2.gz LJSPRIUHHINACH-UHFFFAOYSA-N 0 0 434.901 3.737 50 0 IHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000009427878 569533436 /nfs/dbraw/zinc/53/34/36/569533436.db2.gz HPCMWJWMYLJWKK-HNNXBMFYSA-N 0 0 430.486 3.535 50 0 IHAARN Cc1cc2cc(CCNC(=O)c3ccccc3I)c(=O)[nH]c2cc1C ZINC000009428135 569533512 /nfs/dbraw/zinc/53/35/12/569533512.db2.gz VNZRUWMPXICZJS-UHFFFAOYSA-N 0 0 446.288 3.722 50 0 IHAARN CC(C)Cn1c2nnc(CCCC(=O)NCc3ccc(F)cc3)n2c2ccsc2c1=O ZINC000009431499 569534172 /nfs/dbraw/zinc/53/41/72/569534172.db2.gz MGRLKIINKVHLBM-UHFFFAOYSA-N 0 0 441.532 3.540 50 0 IHAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009431385 569534203 /nfs/dbraw/zinc/53/42/03/569534203.db2.gz JYJIWHZEQAYAMI-HIFRSBDPSA-N 0 0 446.352 3.878 50 0 IHAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc1 ZINC000009431730 569534227 /nfs/dbraw/zinc/53/42/27/569534227.db2.gz CTCJZXUSSWHDCE-QGZVFWFLSA-N 0 0 426.904 3.931 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000009431735 569534253 /nfs/dbraw/zinc/53/42/53/569534253.db2.gz YXSUVLVPCWZRFR-GFCCVEGCSA-N 0 0 440.978 3.667 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000009441371 569535365 /nfs/dbraw/zinc/53/53/65/569535365.db2.gz UAAZODLOVPWVQC-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN NC(=O)N[C@H](CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 ZINC000009442142 569535493 /nfs/dbraw/zinc/53/54/93/569535493.db2.gz QHAMEASUNXBXMN-HXUWFJFHSA-N 0 0 433.464 3.624 50 0 IHAARN CCOc1ccc(-c2nc(COC(=O)c3cccc(NS(C)(=O)=O)c3)cs2)cc1 ZINC000009442767 569535649 /nfs/dbraw/zinc/53/56/49/569535649.db2.gz JHFHMAGAUGAFIU-UHFFFAOYSA-N 0 0 432.523 3.937 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 ZINC000009449641 569536237 /nfs/dbraw/zinc/53/62/37/569536237.db2.gz MMHWBXLBUASUDR-OKFIXCSWSA-N 0 0 443.613 3.626 50 0 IHAARN Cc1cccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000009450721 569536365 /nfs/dbraw/zinc/53/63/65/569536365.db2.gz VUSMUHSEZZCBFL-LJQANCHMSA-N 0 0 446.956 3.860 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 ZINC000009451441 569536370 /nfs/dbraw/zinc/53/63/70/569536370.db2.gz VWEGAHPVCMEKDS-ZDUSSCGKSA-N 0 0 428.967 3.731 50 0 IHAARN Cc1cc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000009459736 569536853 /nfs/dbraw/zinc/53/68/53/569536853.db2.gz HDFLKGKRIVDKEO-FQEVSTJZSA-N 0 0 435.973 3.860 50 0 IHAARN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009461310 569537020 /nfs/dbraw/zinc/53/70/20/569537020.db2.gz MUURRBLNHFDKOQ-UHFFFAOYSA-N 0 0 427.555 3.936 50 0 IHAARN CCC(=O)N(c1nnc(SCc2nc3ccc(Cl)cc3n2CCO)s1)C1CC1 ZINC000009467084 569538311 /nfs/dbraw/zinc/53/83/11/569538311.db2.gz BNNQBVIRHHJPST-UHFFFAOYSA-N 0 0 437.978 3.731 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009468057 569538534 /nfs/dbraw/zinc/53/85/34/569538534.db2.gz IXQGWDLNQKEAQI-FUHWJXTLSA-N 0 0 442.537 3.868 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009468062 569538546 /nfs/dbraw/zinc/53/85/46/569538546.db2.gz IXQGWDLNQKEAQI-WMZOPIPTSA-N 0 0 442.537 3.868 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)cc1 ZINC000009474836 569539047 /nfs/dbraw/zinc/53/90/47/569539047.db2.gz GAUXTNFWIXEPIB-UHFFFAOYSA-N 0 0 438.534 3.641 50 0 IHAARN CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 ZINC000009478681 569539348 /nfs/dbraw/zinc/53/93/48/569539348.db2.gz NPNCMHSQOVGJJN-IBGZPJMESA-N 0 0 425.510 3.828 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc2F)cc1 ZINC000009490363 569540164 /nfs/dbraw/zinc/54/01/64/569540164.db2.gz ZEQWEGDXNKKONT-UHFFFAOYSA-N 0 0 428.485 3.874 50 0 IHAARN Cn1ccnc1C(=O)c1cc(SCC(=O)N2CCc3ccccc32)nc2ccccc21 ZINC000009492000 569540479 /nfs/dbraw/zinc/54/04/79/569540479.db2.gz NTRPCYGLUPYQIQ-UHFFFAOYSA-N 0 0 428.517 3.881 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Sc2nc(C)nc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000009496927 569541259 /nfs/dbraw/zinc/54/12/59/569541259.db2.gz UVAQTCFWUHZSIT-HNNXBMFYSA-N 0 0 433.537 3.855 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1C ZINC000009498932 569541413 /nfs/dbraw/zinc/54/14/13/569541413.db2.gz FONMBQOIDBZWCY-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000009507066 569541990 /nfs/dbraw/zinc/54/19/90/569541990.db2.gz AGIMEVKNEAMTEB-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000009509579 569542589 /nfs/dbraw/zinc/54/25/89/569542589.db2.gz ZDQVCVFUKNKHIB-UHFFFAOYSA-N 0 0 443.459 3.572 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009511209 569542870 /nfs/dbraw/zinc/54/28/70/569542870.db2.gz LJOPQWYDUMPXDB-UHFFFAOYSA-N 0 0 429.542 3.770 50 0 IHAARN COc1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccc(O)cc2)c2ccccc2)c1 ZINC000009512405 569542957 /nfs/dbraw/zinc/54/29/57/569542957.db2.gz UXIGWMKYHUCTFH-FQEVSTJZSA-N 0 0 433.493 3.849 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1C ZINC000009513558 569543163 /nfs/dbraw/zinc/54/31/63/569543163.db2.gz YYBNVCKUYOEHIJ-UHFFFAOYSA-N 0 0 435.908 3.857 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009514955 569543257 /nfs/dbraw/zinc/54/32/57/569543257.db2.gz JPRVLOBHWYMTRJ-GFCCVEGCSA-N 0 0 434.315 3.745 50 0 IHAARN CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000009514796 569543272 /nfs/dbraw/zinc/54/32/72/569543272.db2.gz IYTBVQJMBHABEV-UHFFFAOYSA-N 0 0 433.555 3.619 50 0 IHAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009514836 569543274 /nfs/dbraw/zinc/54/32/74/569543274.db2.gz AUVKAAAXKQEWKC-UHFFFAOYSA-N 0 0 425.510 3.854 50 0 IHAARN CCOC(=O)CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000009518458 569544069 /nfs/dbraw/zinc/54/40/69/569544069.db2.gz MJMQPMXPQPJAEZ-UHFFFAOYSA-N 0 0 440.452 3.984 50 0 IHAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000009518827 569544210 /nfs/dbraw/zinc/54/42/10/569544210.db2.gz CCVHOTMFUSANHU-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000009519421 569544274 /nfs/dbraw/zinc/54/42/74/569544274.db2.gz ZKTUEYCSOKDREB-UHFFFAOYSA-N 0 0 431.536 3.885 50 0 IHAARN CCCCn1c(CCC(=O)Nc2ccc(Cl)cc2C)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000009520288 569544377 /nfs/dbraw/zinc/54/43/77/569544377.db2.gz BPCULCYGLVBRTR-UHFFFAOYSA-N 0 0 445.951 3.630 50 0 IHAARN COC(=O)c1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)cc1 ZINC000009521435 569544394 /nfs/dbraw/zinc/54/43/94/569544394.db2.gz DKABYDKUBZCQPM-UHFFFAOYSA-N 0 0 426.885 3.841 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1ccc3c(c1)OCO3)CN(C(C)C)CC2 ZINC000009520917 569544446 /nfs/dbraw/zinc/54/44/46/569544446.db2.gz YXLKWYDUXFCQJX-UHFFFAOYSA-N 0 0 430.526 3.601 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000009532594 569545338 /nfs/dbraw/zinc/54/53/38/569545338.db2.gz FYDAYUIKOPIWFJ-DWXRJYCRSA-N 0 0 429.520 3.744 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000009532589 569545366 /nfs/dbraw/zinc/54/53/66/569545366.db2.gz FYDAYUIKOPIWFJ-QYBDOPJKSA-N 0 0 429.520 3.744 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2c(c1)CCCC2 ZINC000009535372 569545519 /nfs/dbraw/zinc/54/55/19/569545519.db2.gz SMFMPGMJNOYFRW-INIZCTEOSA-N 0 0 449.580 3.916 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009540081 569545756 /nfs/dbraw/zinc/54/57/56/569545756.db2.gz GSETXZBHMUVCIC-GOSISDBHSA-N 0 0 435.402 3.989 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c(C)c1 ZINC000009540954 569545866 /nfs/dbraw/zinc/54/58/66/569545866.db2.gz GMHIOYXTADRVCC-UHFFFAOYSA-N 0 0 433.541 3.705 50 0 IHAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009542039 569545944 /nfs/dbraw/zinc/54/59/44/569545944.db2.gz SIKFPNXXFOLABV-UHFFFAOYSA-N 0 0 443.895 3.572 50 0 IHAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000009548764 569546489 /nfs/dbraw/zinc/54/64/89/569546489.db2.gz WPANZNCUODYMOY-GOTSBHOMSA-N 0 0 426.520 3.880 50 0 IHAARN COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009556401 569546772 /nfs/dbraw/zinc/54/67/72/569546772.db2.gz NJGHRYATHUBEDF-FQEVSTJZSA-N 0 0 445.581 3.587 50 0 IHAARN Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)n1Cc1ccco1 ZINC000009562303 569547288 /nfs/dbraw/zinc/54/72/88/569547288.db2.gz MTMGYKIPWJTBRW-OAQYLSRUSA-N 0 0 438.505 3.975 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000009562931 569547418 /nfs/dbraw/zinc/54/74/18/569547418.db2.gz UXUXTYMDTMPNAM-UHFFFAOYSA-N 0 0 444.944 3.547 50 0 IHAARN COc1cc(OC)cc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 ZINC000009568907 569547423 /nfs/dbraw/zinc/54/74/23/569547423.db2.gz DXABHLNXLNESSQ-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1OC ZINC000009568829 569547441 /nfs/dbraw/zinc/54/74/41/569547441.db2.gz DPOGODRNJYNOIH-HXUWFJFHSA-N 0 0 445.519 3.898 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cc(C)cc(C)c4)n3n2)cc1 ZINC000009568966 569547503 /nfs/dbraw/zinc/54/75/03/569547503.db2.gz WWLNWQLLJBJQPY-UHFFFAOYSA-N 0 0 433.537 3.680 50 0 IHAARN Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)cc1 ZINC000009568975 569547521 /nfs/dbraw/zinc/54/75/21/569547521.db2.gz CVZPGSSCCGXGQK-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(NCc3ccco3)s1)CCCC2 ZINC000009580590 569548815 /nfs/dbraw/zinc/54/88/15/569548815.db2.gz KTRIMJHBDBURLQ-UHFFFAOYSA-N 0 0 449.583 3.513 50 0 IHAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 ZINC000009590538 569550017 /nfs/dbraw/zinc/55/00/17/569550017.db2.gz WNRNVRWJWQFHKK-UHFFFAOYSA-N 0 0 438.505 3.744 50 0 IHAARN O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NCc1ccc(F)cc1 ZINC000009590912 569550075 /nfs/dbraw/zinc/55/00/75/569550075.db2.gz CRUUCNUQOTWRBX-UHFFFAOYSA-N 0 0 443.891 3.722 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCCO2 ZINC000009594317 569550605 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COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCc4ccccc4)c(C)n3n2)c1 ZINC000009610148 569552480 /nfs/dbraw/zinc/55/24/80/569552480.db2.gz PAFOBNYQXWDEBK-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN COc1ccc(CNC(=O)CCc2c(C)nc3nc(-c4cccc(OC)c4)nn3c2C)cc1 ZINC000009610345 569552511 /nfs/dbraw/zinc/55/25/11/569552511.db2.gz ALTLYHKGIYFVRC-UHFFFAOYSA-N 0 0 445.523 3.674 50 0 IHAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009611565 569552795 /nfs/dbraw/zinc/55/27/95/569552795.db2.gz NAWKKICUYVBRFW-UHFFFAOYSA-N 0 0 447.520 3.656 50 0 IHAARN COCCN(CCOC)C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000009613439 569553017 /nfs/dbraw/zinc/55/30/17/569553017.db2.gz DHRXJBXSXCWTSD-UHFFFAOYSA-N 0 0 447.535 3.890 50 0 IHAARN CCOC(=O)C1=C(COC(=O)CCc2ccsc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000009613910 569553074 /nfs/dbraw/zinc/55/30/74/569553074.db2.gz AQKOYLYJBGJZAJ-IBGZPJMESA-N 0 0 448.928 3.749 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCC3)OCc1ccccc1 ZINC000009615392 569553187 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CCOc1ccccc1-n1c([S-])c(C(=O)NC(=O)NCc2ccccc2)[n+]2ccccc12 ZINC000009630608 569553670 /nfs/dbraw/zinc/55/36/70/569553670.db2.gz HOZSOAOWPZAUTR-UHFFFAOYSA-O 0 0 447.540 3.543 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009634956 569554541 /nfs/dbraw/zinc/55/45/41/569554541.db2.gz GPKHOYWFRCUUIR-UHFFFAOYSA-N 0 0 425.510 3.680 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)on1 ZINC000009637880 569554942 /nfs/dbraw/zinc/55/49/42/569554942.db2.gz RJXSCAHWEPLLHO-UHFFFAOYSA-N 0 0 444.509 3.738 50 0 IHAARN CCOC(=O)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(N)=O)C1 ZINC000009638964 569555073 /nfs/dbraw/zinc/55/50/73/569555073.db2.gz TWCOYTDGOPRBRQ-UHFFFAOYSA-N 0 0 437.521 3.696 50 0 IHAARN CCOc1ccc(Oc2ccccc2NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)cc1 ZINC000009642668 569555837 /nfs/dbraw/zinc/55/58/37/569555837.db2.gz VLJPKHSUPSQRSU-UHFFFAOYSA-N 0 0 445.475 3.910 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009643181 569555892 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569570170 /nfs/dbraw/zinc/57/01/70/569570170.db2.gz GMXQUITWOGBFKN-KRWDZBQOSA-N 0 0 438.528 3.539 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CCCCCC3)cc2)cc1 ZINC000009833626 569570379 /nfs/dbraw/zinc/57/03/79/569570379.db2.gz PUYPKLVGPBAEFE-UHFFFAOYSA-N 0 0 443.569 3.576 50 0 IHAARN COC(=O)c1c(C)cccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009836257 569570737 /nfs/dbraw/zinc/57/07/37/569570737.db2.gz RYUYNRKEYPFJCS-UHFFFAOYSA-N 0 0 427.460 3.792 50 0 IHAARN O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000009852962 569571461 /nfs/dbraw/zinc/57/14/61/569571461.db2.gz WGNJIJHWAUSMFR-UHFFFAOYSA-N 0 0 441.406 3.659 50 0 IHAARN CC[C@@H]1CCc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2C1 ZINC000009853605 569571517 /nfs/dbraw/zinc/57/15/17/569571517.db2.gz SMDRQVNNXLHGLG-CQSZACIVSA-N 0 0 438.640 3.908 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)cc(C)c3)nn2)cc1 ZINC000009853096 569571526 /nfs/dbraw/zinc/57/15/26/569571526.db2.gz BIKZHVPBVOEUNB-UHFFFAOYSA-N 0 0 427.526 3.516 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1 ZINC000009856750 569571625 /nfs/dbraw/zinc/57/16/25/569571625.db2.gz WTJXRFFHLIOEHC-UHFFFAOYSA-N 0 0 432.501 3.781 50 0 IHAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009868349 569572347 /nfs/dbraw/zinc/57/23/47/569572347.db2.gz ZXNFCKDDOMLKQU-UHFFFAOYSA-N 0 0 440.496 3.765 50 0 IHAARN Cc1csc(=O)n1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000009871972 569572463 /nfs/dbraw/zinc/57/24/63/569572463.db2.gz UJBCKAQMFZNNRI-FQEVSTJZSA-N 0 0 434.565 3.714 50 0 IHAARN CC(=O)C[C@@]1(O)c2cc(Br)ccc2N(CCCOc2cccc(C)c2)C1=O ZINC000009872968 569572480 /nfs/dbraw/zinc/57/24/80/569572480.db2.gz QWDVUZPPHNYTSH-OAQYLSRUSA-N 0 0 432.314 3.740 50 0 IHAARN CC(C)[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1 ZINC000009872494 569572510 /nfs/dbraw/zinc/57/25/10/569572510.db2.gz HGRYCVACNQNJQL-IBGZPJMESA-N 0 0 439.578 3.737 50 0 IHAARN Cc1sc2ncn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c(=O)c2c1C ZINC000009884550 569572751 /nfs/dbraw/zinc/57/27/51/569572751.db2.gz NCJHUNPIVIWKPO-QGZVFWFLSA-N 0 0 439.537 3.600 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009884965 569572858 /nfs/dbraw/zinc/57/28/58/569572858.db2.gz KHCGRDKVGYNVGO-AWEZNQCLSA-N 0 0 449.623 3.904 50 0 IHAARN COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)s1 ZINC000071279589 569573555 /nfs/dbraw/zinc/57/35/55/569573555.db2.gz RMHPHUKKIJHYLL-GOSISDBHSA-N 0 0 428.558 3.831 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009950266 569574312 /nfs/dbraw/zinc/57/43/12/569574312.db2.gz XAZILVKKEKWRDN-SFHVURJKSA-N 0 0 435.553 3.976 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000009951152 569574466 /nfs/dbraw/zinc/57/44/66/569574466.db2.gz DPTKLOUMKWFJPQ-UHFFFAOYSA-N 0 0 436.493 3.740 50 0 IHAARN CC(=O)NCc1ccc(C(=O)COC(=O)c2oc3ccc(Br)cc3c2C)o1 ZINC000009959158 569575099 /nfs/dbraw/zinc/57/50/99/569575099.db2.gz NSYPXBDDAFDQLT-UHFFFAOYSA-N 0 0 434.242 3.773 50 0 IHAARN Nn1cnnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000009959960 569575346 /nfs/dbraw/zinc/57/53/46/569575346.db2.gz MBSBOZOFDRGZCX-UHFFFAOYSA-N 0 0 431.993 3.735 50 0 IHAARN COc1ccc(-c2noc(COC(=O)CSc3nc4ccccc4o3)n2)c(OC)c1 ZINC000009960179 569575374 /nfs/dbraw/zinc/57/53/74/569575374.db2.gz ODDWHKANFGRDMA-UHFFFAOYSA-N 0 0 427.438 3.731 50 0 IHAARN O=C(COC(=O)CSc1nnc(NC2CCCCC2)s1)NCCC1=CCCCC1 ZINC000009962272 569575621 /nfs/dbraw/zinc/57/56/21/569575621.db2.gz PSMPZVMEMLFYQV-UHFFFAOYSA-N 0 0 438.619 3.925 50 0 IHAARN Cc1csc2nc(COC(=O)CSc3ncnc4c5ccccc5oc43)cc(=O)n12 ZINC000009961489 569575656 /nfs/dbraw/zinc/57/56/56/569575656.db2.gz MTBKULUWKUKERJ-UHFFFAOYSA-N 0 0 438.490 3.589 50 0 IHAARN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)nc2O)cc1 ZINC000009969926 569576130 /nfs/dbraw/zinc/57/61/30/569576130.db2.gz AIHDFNKHFXPUAT-UHFFFAOYSA-N 0 0 443.550 3.617 50 0 IHAARN CCc1cc2c(nc(SCC(=O)Nc3nccs3)n(Cc3ccco3)c2=O)s1 ZINC000009970692 569576217 /nfs/dbraw/zinc/57/62/17/569576217.db2.gz GFTQGASTYPNARQ-UHFFFAOYSA-N 0 0 432.552 3.849 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000009983130 569576564 /nfs/dbraw/zinc/57/65/64/569576564.db2.gz BETPPXISVWYEOG-UHFFFAOYSA-N 0 0 440.521 3.743 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009995864 569577032 /nfs/dbraw/zinc/57/70/32/569577032.db2.gz MXIBQCXSCUCWFE-UHFFFAOYSA-N 0 0 432.505 3.572 50 0 IHAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)Nc3nc4ccccc4[nH]3)c2=O)cc1 ZINC000010021908 569577229 /nfs/dbraw/zinc/57/72/29/569577229.db2.gz VJPPXBDPBHLBDO-UHFFFAOYSA-N 0 0 439.475 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)cc1C ZINC000010086402 569577722 /nfs/dbraw/zinc/57/77/22/569577722.db2.gz UHIAAAKMABZWAN-VQTJNVASSA-N 0 0 432.973 3.593 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1 ZINC000010098297 569577763 /nfs/dbraw/zinc/57/77/63/569577763.db2.gz 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Cc1ccccc1Nc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 ZINC000010212128 569578964 /nfs/dbraw/zinc/57/89/64/569578964.db2.gz YREJBZKPNQUDJQ-UHFFFAOYSA-N 0 0 431.518 3.576 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N ZINC000010216011 569579228 /nfs/dbraw/zinc/57/92/28/569579228.db2.gz SOYWZDUTKSGYKD-CABCVRRESA-N 0 0 429.977 3.930 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)Cc2ccc(-c4ccccc4)cc2)c3=O)cc1 ZINC000010251649 569579843 /nfs/dbraw/zinc/57/98/43/569579843.db2.gz WVBXTPULITVUTC-UHFFFAOYSA-N 0 0 435.487 3.870 50 0 IHAARN CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O ZINC000010251537 569579852 /nfs/dbraw/zinc/57/98/52/569579852.db2.gz ZIRHADJIIKHYBD-UHFFFAOYSA-N 0 0 439.475 3.826 50 0 IHAARN Cc1c(C)n(-c2cccc(C)c2C)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n12 ZINC000010271874 569580057 /nfs/dbraw/zinc/58/00/57/569580057.db2.gz UTVDZLBUVZHOKJ-UHFFFAOYSA-N 0 0 441.535 3.615 50 0 IHAARN Cc1cn2c3c(nc2n1-c1ccc(C)cc1C)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000010271832 569580075 /nfs/dbraw/zinc/58/00/75/569580075.db2.gz DNCPYNRKKJYKFX-DHZHZOJOSA-N 0 0 439.519 3.777 50 0 IHAARN CCOc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4)c3N)n2)cc1 ZINC000010273122 569580263 /nfs/dbraw/zinc/58/02/63/569580263.db2.gz JUFGHSUGCOLCIL-UHFFFAOYSA-N 0 0 427.262 3.728 50 0 IHAARN CCOc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)c1 ZINC000071768394 569580691 /nfs/dbraw/zinc/58/06/91/569580691.db2.gz RLQBJCPZEKRGDK-UHFFFAOYSA-N 0 0 446.511 3.944 50 0 IHAARN CCCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(CC)no4)cn3)cn2)cc1 ZINC000071768342 569580712 /nfs/dbraw/zinc/58/07/12/569580712.db2.gz ISMOIMWWAYMHDD-UHFFFAOYSA-N 0 0 432.484 3.599 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OCC)cc4)c3)c2)n1 ZINC000071768442 569580724 /nfs/dbraw/zinc/58/07/24/569580724.db2.gz DIONYHGLVMEULD-UHFFFAOYSA-N 0 0 432.484 3.599 50 0 IHAARN CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCCCc3ccccc3)c2)n1 ZINC000071768627 569580787 /nfs/dbraw/zinc/58/07/87/569580787.db2.gz KRNPOTICWFKMFA-UHFFFAOYSA-N 0 0 430.512 3.977 50 0 IHAARN COc1cccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)c1 ZINC000071768603 569580810 /nfs/dbraw/zinc/58/08/10/569580810.db2.gz XIPSHDLRGHVPEF-UHFFFAOYSA-N 0 0 432.484 3.553 50 0 IHAARN Cc1c(C(=O)NCc2ccc(F)cc2F)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000071768689 569580813 /nfs/dbraw/zinc/58/08/13/569580813.db2.gz RBYAKJWGAGXJHT-UHFFFAOYSA-N 0 0 438.438 3.957 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 ZINC000010336488 569581070 /nfs/dbraw/zinc/58/10/70/569581070.db2.gz VRQKAMYFEVJVFY-UHFFFAOYSA-N 0 0 445.928 3.595 50 0 IHAARN Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2s1 ZINC000010337548 569581338 /nfs/dbraw/zinc/58/13/38/569581338.db2.gz BJDYGXZSLGMFMN-UHFFFAOYSA-N 0 0 429.567 3.953 50 0 IHAARN Cc1ccc(CNC(=O)CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000071804862 569581814 /nfs/dbraw/zinc/58/18/14/569581814.db2.gz FAYOIJNZQIXZTE-XMMPIXPASA-N 0 0 427.504 3.817 50 0 IHAARN CCc1ccc2nc(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)sc2c1 ZINC000071808803 569581894 /nfs/dbraw/zinc/58/18/94/569581894.db2.gz MPQKQVXUNDLJKL-UHFFFAOYSA-N 0 0 429.523 3.664 50 0 IHAARN COc1cc(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)ccc1OC(F)F ZINC000010441834 569582209 /nfs/dbraw/zinc/58/22/09/569582209.db2.gz VOMPLBBORYBQOF-UHFFFAOYSA-N 0 0 426.803 3.564 50 0 IHAARN COc1cc(CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)ccc1OC(F)F ZINC000010441569 569582217 /nfs/dbraw/zinc/58/22/17/569582217.db2.gz MWVZNQXIFCJHQQ-UHFFFAOYSA-N 0 0 449.841 3.734 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(I)o1)c1ccccc1 ZINC000071862948 569582550 /nfs/dbraw/zinc/58/25/50/569582550.db2.gz CJLQJTGTZQDTGQ-SYJIQKIWSA-N 0 0 433.249 3.537 50 0 IHAARN O=C(Cn1cc(Br)ccc1=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000071875084 569582669 /nfs/dbraw/zinc/58/26/69/569582669.db2.gz HTJNEUAAXXHDFC-UHFFFAOYSA-N 0 0 426.242 3.651 50 0 IHAARN COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)Nc3nc4ccccc4s3)n2C)c(OC)c1 ZINC000020725750 569584375 /nfs/dbraw/zinc/58/43/75/569584375.db2.gz VDMYCUGIPIZBBT-LBPRGKRZSA-N 0 0 438.509 3.562 50 0 IHAARN CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 ZINC000077191214 569585905 /nfs/dbraw/zinc/58/59/05/569585905.db2.gz KVQCIFFAFRJWMD-UHFFFAOYSA-N 0 0 445.401 3.746 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3cc(-c4ccc(OC)cc4)ncn3)C2)cc1 ZINC000077191887 569585962 /nfs/dbraw/zinc/58/59/62/569585962.db2.gz CEAAXGQHEIESBY-LJQANCHMSA-N 0 0 446.507 3.794 50 0 IHAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 ZINC000077192079 569586016 /nfs/dbraw/zinc/58/60/16/569586016.db2.gz DDZCGOCDZHNFAY-UHFFFAOYSA-N 0 0 433.493 3.587 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(Cc2nncn2C2CCCCC2)CC1 ZINC000077197343 569586136 /nfs/dbraw/zinc/58/61/36/569586136.db2.gz OEVKGANMXIUJPW-UHFFFAOYSA-N 0 0 432.366 3.504 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077200207 569586382 /nfs/dbraw/zinc/58/63/82/569586382.db2.gz ADMDZWIYLYWXLJ-RBUKOAKNSA-N 0 0 430.526 3.527 50 0 IHAARN COc1ccc(NC(=O)NCCCSc2ccc(F)cc2)cc1NS(C)(=O)=O ZINC000078517774 569586707 /nfs/dbraw/zinc/58/67/07/569586707.db2.gz USDQBKJTGWQIOP-UHFFFAOYSA-N 0 0 427.523 3.510 50 0 IHAARN O=C(c1cc(F)cc2c1OCOC2)N1CCO[C@@H](COCc2ccc(F)cc2Cl)C1 ZINC000022651504 569587213 /nfs/dbraw/zinc/58/72/13/569587213.db2.gz FUGLPNVKMLYJDZ-QGZVFWFLSA-N 0 0 439.842 3.543 50 0 IHAARN Cc1ccc(C)c(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)c1 ZINC000033273364 569587384 /nfs/dbraw/zinc/58/73/84/569587384.db2.gz XOSWGUVRGLZPQE-UHFFFAOYSA-N 0 0 441.919 3.976 50 0 IHAARN Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000033279552 569587418 /nfs/dbraw/zinc/58/74/18/569587418.db2.gz ATCRWEPSPKEEJN-UHFFFAOYSA-N 0 0 446.554 3.599 50 0 IHAARN C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN(C)Cc1ccccc1 ZINC000035991766 569587753 /nfs/dbraw/zinc/58/77/53/569587753.db2.gz PMIMIWJTEFQJLE-OAQYLSRUSA-N 0 0 425.554 3.950 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)COC ZINC000036121959 569587880 /nfs/dbraw/zinc/58/78/80/569587880.db2.gz QYJJAOOEEOQRFS-ICSRJNTNSA-N 0 0 444.597 3.835 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2 ZINC000002037017 291369983 /nfs/dbraw/zinc/36/99/83/291369983.db2.gz YEFOAORQXAOVJQ-RKNYENMMSA-N 0 0 432.513 3.891 50 0 biogenic,in-vitro IHAARN CCOC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000625954 193861220 /nfs/dbraw/zinc/86/12/20/193861220.db2.gz VFTDQMOHXXYGNQ-QFIPXVFZSA-N 0 0 442.471 3.709 50 0 IHAARN COc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)c(OC)c1 ZINC000000628983 193862752 /nfs/dbraw/zinc/86/27/52/193862752.db2.gz XZKJPMHXSQLKHP-FRKPEAEDSA-N 0 0 434.304 3.690 50 0 IHAARN CCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000000653121 193873427 /nfs/dbraw/zinc/87/34/27/193873427.db2.gz ARXCLQZGBTXLIS-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN O=C(Cc1ccccc1)OCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000658080 193875626 /nfs/dbraw/zinc/87/56/26/193875626.db2.gz VAFYDXBWCNHHKH-CVQXOBEKSA-N 0 0 437.495 3.665 50 0 IHAARN Cc1cccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)c1 ZINC000006142360 193881882 /nfs/dbraw/zinc/88/18/82/193881882.db2.gz KGRXKQPYJIBNJG-PKTZIBPZSA-N 0 0 449.528 3.664 50 0 IHAARN Cc1csc(-c2ccc(OCC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000009836721 193902789 /nfs/dbraw/zinc/90/27/89/193902789.db2.gz LHANIAILLRNWTQ-LJQANCHMSA-N 0 0 442.562 3.718 50 0 IHAARN O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009846719 193905087 /nfs/dbraw/zinc/90/50/87/193905087.db2.gz HGPJOHWFHPPULV-QGZVFWFLSA-N 0 0 425.916 3.958 50 0 IHAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000009847538 193905886 /nfs/dbraw/zinc/90/58/86/193905886.db2.gz BXLWRWQWKOWXQP-IBGZPJMESA-N 0 0 436.537 3.803 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000000678282 132229157 /nfs/dbraw/zinc/22/91/57/132229157.db2.gz FYKNVHCCQWIYIY-UHFFFAOYSA-N 0 0 445.519 3.919 50 0 IHAARN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1Cl ZINC000000686736 132229185 /nfs/dbraw/zinc/22/91/85/132229185.db2.gz SXISVCBLCLGRLB-UHFFFAOYSA-N 0 0 427.961 3.576 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c(C)c1 ZINC000000807623 132230742 /nfs/dbraw/zinc/23/07/42/132230742.db2.gz UAMBVMZLRQQVDG-UHFFFAOYSA-N 0 0 433.508 3.876 50 0 IHAARN Cn1c2nc3n(c2c(=O)n(C/C=C/c2ccccc2)c1=O)CCCN3c1cccc(Cl)c1 ZINC000009519176 132232901 /nfs/dbraw/zinc/23/29/01/132232901.db2.gz CPYUPOWGOYVOEM-UXBLZVDNSA-N 0 0 447.926 3.805 50 0 IHAARN Cc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000009519322 132233231 /nfs/dbraw/zinc/23/32/31/132233231.db2.gz NGGUDMLECTUNQK-GOSISDBHSA-N 0 0 443.551 3.626 50 0 IHAARN CN1CCN(c2nc(N3CCCc4ccccc43)nc(N3CCCc4ccccc43)n2)CC1 ZINC000001165515 132237964 /nfs/dbraw/zinc/23/79/64/132237964.db2.gz VMNINATYKDUNOL-UHFFFAOYSA-N 0 0 441.583 3.792 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000010062638 132242705 /nfs/dbraw/zinc/24/27/05/132242705.db2.gz HJVLOLCUFMQRFG-UHFFFAOYSA-N 0 0 441.535 3.511 50 0 IHAARN O=C(c1ccccc1F)N1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)CC1 ZINC000001404468 132244973 /nfs/dbraw/zinc/24/49/73/132244973.db2.gz STPJWKSVXPZEBD-UHFFFAOYSA-N 0 0 447.297 3.641 50 0 IHAARN CS(=O)(=O)N1C[C@H](c2nnc(-c3ccc(Cl)cc3)o2)Oc2ccc(Cl)cc21 ZINC000001399751 132245030 /nfs/dbraw/zinc/24/50/30/132245030.db2.gz AJQUOHOURGGXJO-OAHLLOKOSA-N 0 0 426.281 3.943 50 0 IHAARN Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(N2CCCc3ccccc32)n1 ZINC000001419223 132245262 /nfs/dbraw/zinc/24/52/62/132245262.db2.gz BYJRSJDCTISVJV-UHFFFAOYSA-N 0 0 435.963 3.514 50 0 IHAARN CC(=O)c1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1 ZINC000002370732 132253025 /nfs/dbraw/zinc/25/30/25/132253025.db2.gz STRQUPGUKJUKEE-UHFFFAOYSA-N 0 0 426.524 3.962 50 0 IHAARN O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002663520 132256140 /nfs/dbraw/zinc/25/61/40/132256140.db2.gz PCWVNVSHWDSGAD-UHFFFAOYSA-N 0 0 433.599 3.778 50 0 IHAARN COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\N1C[C@@H](C)O[C@@H](C)C1 ZINC000003205486 132262271 /nfs/dbraw/zinc/26/22/71/132262271.db2.gz BSKYHPVDXNYGRX-GIXNIPRESA-N 0 0 426.900 3.986 50 0 IHAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1 ZINC000003298340 132263507 /nfs/dbraw/zinc/26/35/07/132263507.db2.gz CKQURGSVEIVJSF-UHFFFAOYSA-N 0 0 433.599 3.704 50 0 IHAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCN(c2ccc(F)cc2)CC1 ZINC000003356841 132264441 /nfs/dbraw/zinc/26/44/41/132264441.db2.gz DDFVRBBOCVRZKC-UHFFFAOYSA-N 0 0 440.331 3.616 50 0 IHAARN COc1ccc([C@@H]2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003368209 132264659 /nfs/dbraw/zinc/26/46/59/132264659.db2.gz WUUMIRJQUIKVGI-AUSIDOKSSA-N 0 0 425.481 3.629 50 0 IHAARN O=C(COc1nncc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003429418 132265407 /nfs/dbraw/zinc/26/54/07/132265407.db2.gz YWPULKWNJYMWAH-UHFFFAOYSA-N 0 0 432.402 3.503 50 0 IHAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000003665873 132267481 /nfs/dbraw/zinc/26/74/81/132267481.db2.gz VNMHORFIZRKRSK-RUZDIDTESA-N 0 0 431.492 3.907 50 0 IHAARN CC(C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670574 132267712 /nfs/dbraw/zinc/26/77/12/132267712.db2.gz UXSDTJJTNBIJRP-SFHVURJKSA-N 0 0 438.709 3.824 50 0 IHAARN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000004090523 132269498 /nfs/dbraw/zinc/26/94/98/132269498.db2.gz UTBWUVDXMZRDIX-UHFFFAOYSA-N 0 0 438.597 3.779 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@@H](C(=O)NCc3ccc(F)cc3)C1)C[C@@H](C)O2 ZINC000006842462 132279554 /nfs/dbraw/zinc/27/95/54/132279554.db2.gz ASSCVXAIOFQHFV-IEBWSBKVSA-N 0 0 425.504 3.870 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)N1CCC[C@H](C(=O)NCc3ccc(F)cc3)C1)C[C@H](C)O2 ZINC000006842457 132279589 /nfs/dbraw/zinc/27/95/89/132279589.db2.gz ASSCVXAIOFQHFV-HKUYNNGSSA-N 0 0 425.504 3.870 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)c2ccccc2O1 ZINC000006846870 132279847 /nfs/dbraw/zinc/27/98/47/132279847.db2.gz AXHGFOJJDZLYFA-LJQANCHMSA-N 0 0 425.504 3.952 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 ZINC000008397661 132281520 /nfs/dbraw/zinc/28/15/20/132281520.db2.gz FHDNFKXXMYCVFA-UHFFFAOYSA-N 0 0 431.341 3.522 50 0 IHAARN COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000008588484 132282950 /nfs/dbraw/zinc/28/29/50/132282950.db2.gz MSNAAMWSFMXEEQ-MRXNPFEDSA-N 0 0 437.496 3.531 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000008588981 132283437 /nfs/dbraw/zinc/28/34/37/132283437.db2.gz FCMGQEUKIYPGAB-JOCHJYFZSA-N 0 0 445.475 3.754 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000008590947 132283843 /nfs/dbraw/zinc/28/38/43/132283843.db2.gz DNKAYTOTGRKGDM-UHFFFAOYSA-N 0 0 438.963 3.739 50 0 IHAARN COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000008671206 132289891 /nfs/dbraw/zinc/28/98/91/132289891.db2.gz LFEJHCUKAFUVFS-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 aggregator IHAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1 ZINC000008671992 132289914 /nfs/dbraw/zinc/28/99/14/132289914.db2.gz HUBYVXIFXNYTLY-UHFFFAOYSA-N 0 0 439.409 3.563 50 0 IHAARN C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008718362 132291514 /nfs/dbraw/zinc/29/15/14/132291514.db2.gz HDXYGUITIDVAGU-CYBMUJFWSA-N 0 0 437.418 3.710 50 0 IHAARN COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1OC ZINC000008721761 132291811 /nfs/dbraw/zinc/29/18/11/132291811.db2.gz CCIHUVXOMLWLAI-FQEVSTJZSA-N 0 0 445.475 3.700 50 0 IHAARN C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008720349 132291847 /nfs/dbraw/zinc/29/18/47/132291847.db2.gz CBWURARXJGMRJF-MRXNPFEDSA-N 0 0 443.598 3.538 50 0 IHAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1N1CCOCC1 ZINC000008965532 132298704 /nfs/dbraw/zinc/29/87/04/132298704.db2.gz MKICUMLXOQDADJ-UHFFFAOYSA-N 0 0 425.710 3.957 50 0 IHAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009131015 132306274 /nfs/dbraw/zinc/30/62/74/132306274.db2.gz AVPDDSVXNSPOTN-UHFFFAOYSA-N 0 0 444.535 3.504 50 0 IHAARN Cc1cc(C)cc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)c1 ZINC000009158228 132307298 /nfs/dbraw/zinc/30/72/98/132307298.db2.gz MCPOZCBEAILDNA-LJQANCHMSA-N 0 0 443.551 3.544 50 0 IHAARN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000009235663 132310278 /nfs/dbraw/zinc/31/02/78/132310278.db2.gz UDKPUYMYYSRWJS-XSFVSMFZSA-N 0 0 437.521 3.507 50 0 IHAARN CC(=O)N1CCN(c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)CC1 ZINC000009236069 132310330 /nfs/dbraw/zinc/31/03/30/132310330.db2.gz NNVBAROFWZPDNN-UHFFFAOYSA-N 0 0 426.567 3.696 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000009348040 132314088 /nfs/dbraw/zinc/31/40/88/132314088.db2.gz JWQUWRABOOCAJZ-GOSISDBHSA-N 0 0 438.499 3.973 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc2c(c1)OCO2 ZINC000009355789 132314391 /nfs/dbraw/zinc/31/43/91/132314391.db2.gz YLSBHJUAOPVPQM-UHFFFAOYSA-N 0 0 436.489 3.809 50 0 IHAARN Cc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000009405725 132314918 /nfs/dbraw/zinc/31/49/18/132314918.db2.gz XJXYNGHMSAJOFA-UHFFFAOYSA-N 0 0 436.581 3.682 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)N2CCOc3ccccc32)C1 ZINC000009405940 132315282 /nfs/dbraw/zinc/31/52/82/132315282.db2.gz MSAROXHSURVBHB-SFHVURJKSA-N 0 0 427.932 3.730 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)CC2)c1 ZINC000009405917 132315286 /nfs/dbraw/zinc/31/52/86/132315286.db2.gz VSHWCQKNGCUGTJ-GOSISDBHSA-N 0 0 437.540 3.739 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000009410750 132316116 /nfs/dbraw/zinc/31/61/16/132316116.db2.gz ZOCGGZZQBTWWMG-BSRJHKFKSA-N 0 0 436.556 3.707 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=S)Nc2cccnc2)c1 ZINC000009444913 132317947 /nfs/dbraw/zinc/31/79/47/132317947.db2.gz RUNUFPSHURKIJU-UHFFFAOYSA-N 0 0 447.630 3.911 50 0 IHAARN CCN1C[C@@H](CN(C)C(=O)Cn2c3ccccc3nc2-c2cscn2)Oc2ccccc21 ZINC000009467063 132318395 /nfs/dbraw/zinc/31/83/95/132318395.db2.gz BXKFFZPKUUSFQZ-QGZVFWFLSA-N 0 0 447.564 3.906 50 0 IHAARN COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000009469110 132318657 /nfs/dbraw/zinc/31/86/57/132318657.db2.gz QHGMYFRSUCWYOP-UHFFFAOYSA-N 0 0 439.519 3.905 50 0 IHAARN CCc1nc2ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc2nc1CC ZINC000009529797 132320605 /nfs/dbraw/zinc/32/06/05/132320605.db2.gz PRWQJMPTBXQGNG-UHFFFAOYSA-N 0 0 449.574 3.836 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NC1CCCCCCC1 ZINC000009588345 132322426 /nfs/dbraw/zinc/32/24/26/132322426.db2.gz JYMREDFQKOFULC-UHFFFAOYSA-N 0 0 448.567 3.979 50 0 IHAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)NCC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009603099 132323188 /nfs/dbraw/zinc/32/31/88/132323188.db2.gz DLCQAZMDBKNTND-PGRDOPGGSA-N 0 0 428.554 3.856 50 0 IHAARN O=S(=O)(c1cccs1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000009614337 132323685 /nfs/dbraw/zinc/32/36/85/132323685.db2.gz GOYRYLZRRCNYPV-UHFFFAOYSA-N 0 0 436.562 3.869 50 0 IHAARN CCn1c(=O)cc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc21 ZINC000009694064 132326415 /nfs/dbraw/zinc/32/64/15/132326415.db2.gz WJCYQEKTUCKVSW-UHFFFAOYSA-N 0 0 439.943 3.711 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCCc5ccccc54)C3=O)ccc2c1 ZINC000009792243 132329229 /nfs/dbraw/zinc/32/92/29/132329229.db2.gz GFCFZIWQUWEQQJ-SANMLTNESA-N 0 0 443.503 3.595 50 0 IHAARN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2OC)cc1 ZINC000009836149 132329772 /nfs/dbraw/zinc/32/97/72/132329772.db2.gz KVANMASNTZEGQH-VWLOTQADSA-N 0 0 431.492 3.771 50 0 IHAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009953444 132332759 /nfs/dbraw/zinc/33/27/59/132332759.db2.gz AFYQWWROQDORLD-UHFFFAOYSA-N 0 0 448.523 3.613 50 0 IHAARN O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009972104 132333447 /nfs/dbraw/zinc/33/34/47/132333447.db2.gz QDIMMXMIMUFTLO-UHFFFAOYSA-N 0 0 425.710 3.957 50 0 IHAARN COc1ccc(-c2noc(CN3CCCc4c(C(=O)NC(C)C)cccc43)n2)cc1OC ZINC000010133453 132334855 /nfs/dbraw/zinc/33/48/55/132334855.db2.gz OYAMAWQEZWRQFC-UHFFFAOYSA-N 0 0 436.512 3.845 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C)cc2)C1=O ZINC000010272710 132335391 /nfs/dbraw/zinc/33/53/91/132335391.db2.gz OTVMFSIDTSWHBG-GOSISDBHSA-N 0 0 441.553 3.921 50 0 IHAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)N1CCN(c2ccccc2F)CC1 ZINC000011796764 132340397 /nfs/dbraw/zinc/34/03/97/132340397.db2.gz SMRAVKYJIUOPHL-UHFFFAOYSA-N 0 0 444.557 3.877 50 0 IHAARN Cc1cc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc(C(C)C)n1 ZINC000013008302 132341876 /nfs/dbraw/zinc/34/18/76/132341876.db2.gz GMWPOTCTLDPYGE-UHFFFAOYSA-N 0 0 429.373 3.726 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000013040714 132343243 /nfs/dbraw/zinc/34/32/43/132343243.db2.gz JHCAHHNZWUOYSQ-UHFFFAOYSA-N 0 0 442.610 3.780 50 0 IHAARN Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000013684820 132353481 /nfs/dbraw/zinc/35/34/81/132353481.db2.gz UEEHKBNJQIXAFJ-UHFFFAOYSA-N 0 0 426.900 3.791 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000013844627 132354881 /nfs/dbraw/zinc/35/48/81/132354881.db2.gz QTTKXJGQYXFRME-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN Cc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2-c1cccc(Cl)c1 ZINC000013970621 132355715 /nfs/dbraw/zinc/35/57/15/132355715.db2.gz KLRVFEYIFKUCLB-UHFFFAOYSA-N 0 0 433.899 3.523 50 0 IHAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014126863 132356177 /nfs/dbraw/zinc/35/61/77/132356177.db2.gz NHCCLWMEALEGDO-UHFFFAOYSA-N 0 0 430.867 3.937 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(C(=O)NCc2ccc(Cl)cc2)c1N ZINC000033291623 518194372 /nfs/dbraw/zinc/19/43/72/518194372.db2.gz BZURGRJRXYMMMR-UHFFFAOYSA-N 0 0 436.903 3.764 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1)OCO2 ZINC000012741659 518293580 /nfs/dbraw/zinc/29/35/80/518293580.db2.gz MOCOEPYPLAZSPK-UHFFFAOYSA-N 0 0 446.459 3.565 50 0 IHAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000012789304 519444639 /nfs/dbraw/zinc/44/46/39/519444639.db2.gz KVFYAAIJOIIKDG-WMZOPIPTSA-N 0 0 444.519 3.777 50 0 IHAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000035925605 519458833 /nfs/dbraw/zinc/45/88/33/519458833.db2.gz OBOPKESXSPNTDL-UHFFFAOYSA-N 0 0 444.539 3.960 50 0 IHAARN CC(C)Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000032950633 519461083 /nfs/dbraw/zinc/46/10/83/519461083.db2.gz BPBODSRNFGMWLV-UHFFFAOYSA-N 0 0 434.512 3.934 50 0 IHAARN CC(=O)N(Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCO1)CCO2)c1ccc(C)cc1 ZINC000021654153 519467957 /nfs/dbraw/zinc/46/79/57/519467957.db2.gz FZTCNZDXBCOHGO-QHCPKHFHSA-N 0 0 437.540 3.631 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000021882404 519469941 /nfs/dbraw/zinc/46/99/41/519469941.db2.gz CLIIHGWADKLNMY-UHFFFAOYSA-N 0 0 444.466 3.727 50 0 IHAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(C)C ZINC000036040051 519472840 /nfs/dbraw/zinc/47/28/40/519472840.db2.gz FDXJVEOHDARWSR-UHFFFAOYSA-N 0 0 443.544 3.801 50 0 IHAARN CC(C)Cn1c(=O)c2c3c(sc2nc1N1CCN(C(=O)C(C)(C)C)CC1)CCCC3 ZINC000012391902 519483844 /nfs/dbraw/zinc/48/38/44/519483844.db2.gz NQLSUMVGUASXOL-UHFFFAOYSA-N 0 0 430.618 3.688 50 0 IHAARN CC(C)Cn1c(CNC(=O)c2n[nH]c3c2CCC3)nnc1SCc1ccccc1F ZINC000012240842 519487639 /nfs/dbraw/zinc/48/76/39/519487639.db2.gz KIOTTXTZEYECTA-UHFFFAOYSA-N 0 0 428.537 3.507 50 0 IHAARN CC(C)Cn1c2nnc(CCC(=O)NC[C@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000035528566 519491154 /nfs/dbraw/zinc/49/11/54/519491154.db2.gz ZQPIKDIBVBBBJQ-INIZCTEOSA-N 0 0 437.569 3.614 50 0 IHAARN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nc1 ZINC000012792096 519583659 /nfs/dbraw/zinc/58/36/59/519583659.db2.gz JAXHDIKBFGTIFB-UHFFFAOYSA-N 0 0 444.601 3.744 50 0 IHAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000035947466 519605815 /nfs/dbraw/zinc/60/58/15/519605815.db2.gz DHPKDFGGSOPBRT-UHFFFAOYSA-N 0 0 435.565 3.838 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl)(C3)C2 ZINC000012683469 519643171 /nfs/dbraw/zinc/64/31/71/519643171.db2.gz JXFIUUQWBQEKDA-WDXRGRCHSA-N 0 0 432.948 3.914 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cc(C)cc(C)c3)c2)S1 ZINC000020896520 519643480 /nfs/dbraw/zinc/64/34/80/519643480.db2.gz QDWMQSIKTBQFJF-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2ccccc2C)S1 ZINC000020896272 519643622 /nfs/dbraw/zinc/64/36/22/519643622.db2.gz AGWMFBONTROOSC-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN CC(C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000035944650 519653746 /nfs/dbraw/zinc/65/37/46/519653746.db2.gz MTMADFZGAWIKDS-UHFFFAOYSA-N 0 0 433.549 3.840 50 0 IHAARN CC(C)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260121 519656020 /nfs/dbraw/zinc/65/60/20/519656020.db2.gz XCXSTUJNHUMDHY-UHFFFAOYSA-N 0 0 426.952 3.823 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)s1 ZINC000012916648 519674440 /nfs/dbraw/zinc/67/44/40/519674440.db2.gz VZYQIDRQFOLABR-UHFFFAOYSA-N 0 0 448.957 3.530 50 0 IHAARN CC(C)N1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2C)C1=O ZINC000021151169 519699520 /nfs/dbraw/zinc/69/95/20/519699520.db2.gz PYZDPEZMRVERAK-MRXNPFEDSA-N 0 0 426.314 3.777 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000022487658 519706617 /nfs/dbraw/zinc/70/66/17/519706617.db2.gz VIRPXSYFJKCROE-UHFFFAOYSA-N 0 0 437.418 3.612 50 0 IHAARN CC(C)NC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035992362 519710753 /nfs/dbraw/zinc/71/07/53/519710753.db2.gz GKRCBHTZSRECMG-UHFFFAOYSA-N 0 0 439.951 3.586 50 0 IHAARN CC(C)CN(Cc1csc(-c2ccccc2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023357959 519718865 /nfs/dbraw/zinc/71/88/65/519718865.db2.gz QMSZJZQIJQWSCU-UHFFFAOYSA-N 0 0 427.574 3.561 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000020761030 519722343 /nfs/dbraw/zinc/72/23/43/519722343.db2.gz RSNJJPANEFEKQR-UHFFFAOYSA-N 0 0 433.512 3.613 50 0 biogenic IHAARN CC(=O)Nc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl ZINC000012737942 519722430 /nfs/dbraw/zinc/72/24/30/519722430.db2.gz MKPOFWPMJBYRSE-UHFFFAOYSA-N 0 0 444.944 3.977 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000015882726 519722656 /nfs/dbraw/zinc/72/26/56/519722656.db2.gz ZLSUYEISRIFMIO-UHFFFAOYSA-N 0 0 442.526 3.871 50 0 IHAARN CC(C)COC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1I ZINC000012382312 519750038 /nfs/dbraw/zinc/75/00/38/519750038.db2.gz YPUQCKAKJJBZGR-MHWRWJLKSA-N 0 0 439.249 3.854 50 0 IHAARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 ZINC000253499945 519757495 /nfs/dbraw/zinc/75/74/95/519757495.db2.gz RUQBPCMPFRJFIH-JJUZGMNLSA-N 0 0 432.557 3.698 50 0 biogenic IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021860768 519762167 /nfs/dbraw/zinc/76/21/67/519762167.db2.gz ZZLVDWKXHLGHOE-ZPHNUYGRSA-N 0 0 440.588 3.761 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(F)cc1 ZINC000012818008 519781393 /nfs/dbraw/zinc/78/13/93/519781393.db2.gz CMQWVDHSUUQJJZ-UHFFFAOYSA-N 0 0 434.533 3.969 50 0 IHAARN CC(C)[C@@H]1NC2(CCN(C(=O)c3cccc(F)c3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014160 519806543 /nfs/dbraw/zinc/80/65/43/519806543.db2.gz KVMZMNQTJFXOIH-NRFANRHFSA-N 0 0 427.495 3.554 50 0 IHAARN CC(C)[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000012774284 519818559 /nfs/dbraw/zinc/81/85/59/519818559.db2.gz JCGTYRMVMSHUQH-QHCPKHFHSA-N 0 0 427.520 3.695 50 0 IHAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000001076618 519865480 /nfs/dbraw/zinc/86/54/80/519865480.db2.gz HEODVIUVKHFGNP-LJQANCHMSA-N 0 0 435.261 3.508 50 0 IHAARN CCCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccc(C)cc3C)ncn2)CC1 ZINC000033312096 519867214 /nfs/dbraw/zinc/86/72/14/519867214.db2.gz SEAONVOIUWEFDZ-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000035961771 519883171 /nfs/dbraw/zinc/88/31/71/519883171.db2.gz OTHPKWMKGKOMKS-QFIPXVFZSA-N 0 0 440.519 3.571 50 0 IHAARN CCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000036045505 519896764 /nfs/dbraw/zinc/89/67/64/519896764.db2.gz XRTOJTQUSOVYAW-UXHICEINSA-N 0 0 430.932 3.739 50 0 IHAARN CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000012601390 519897582 /nfs/dbraw/zinc/89/75/82/519897582.db2.gz GRHPMNHHAQXBLC-GNISGLHKSA-N 0 0 441.578 3.650 50 0 IHAARN CCNC(=O)c1coc(CN(Cc2ccc(OCC)cc2)Cc2ccc3c(c2)OCO3)n1 ZINC000036061520 519902099 /nfs/dbraw/zinc/90/20/99/519902099.db2.gz ASNINDWAXAIRHN-UHFFFAOYSA-N 0 0 437.496 3.754 50 0 IHAARN CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C)C1=CCCC1 ZINC000012796656 519920558 /nfs/dbraw/zinc/92/05/58/519920558.db2.gz DXPLIXARJIBDFZ-UHFFFAOYSA-N 0 0 443.569 3.848 50 0 IHAARN CC(C)n1c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2[nH]c(=O)c1=O ZINC000035481974 519924811 /nfs/dbraw/zinc/92/48/11/519924811.db2.gz IVFWTGYSZQGZRI-UHFFFAOYSA-N 0 0 427.258 3.750 50 0 IHAARN CCCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 ZINC000022091743 520224972 /nfs/dbraw/zinc/22/49/72/520224972.db2.gz ZMWMMLKOWFEUKA-IBGZPJMESA-N 0 0 431.558 3.977 50 0 IHAARN CCCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 ZINC000012378147 520258470 /nfs/dbraw/zinc/25/84/70/520258470.db2.gz BGTGQOSHUGFIMT-UHFFFAOYSA-N 0 0 429.542 3.573 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000012549779 520338593 /nfs/dbraw/zinc/33/85/93/520338593.db2.gz ITSSKZPECJHWME-HXUWFJFHSA-N 0 0 446.563 3.510 50 0 IHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC000012933278 520351931 /nfs/dbraw/zinc/35/19/31/520351931.db2.gz MTBPEICLSMYWLI-UHFFFAOYSA-N 0 0 442.466 3.552 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(Br)c1 ZINC000012873439 520363899 /nfs/dbraw/zinc/36/38/99/520363899.db2.gz LMHYSPOCQCPRAM-RMKNXTFCSA-N 0 0 445.313 3.721 50 0 IHAARN CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000016303899 520400092 /nfs/dbraw/zinc/40/00/92/520400092.db2.gz FZYGBQZDTDBMKT-RDPWEWGOSA-N 0 0 426.538 3.753 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000012073386 520462727 /nfs/dbraw/zinc/46/27/27/520462727.db2.gz AZMANKSJKFZLFG-MRXNPFEDSA-N 0 0 447.956 3.772 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000011818190 520463032 /nfs/dbraw/zinc/46/30/32/520463032.db2.gz KBDNDXBKIXTBQW-FQEVSTJZSA-N 0 0 433.520 3.920 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2cc(F)ccc2C)c2ncnn2[C@H]1c1ccccc1 ZINC000021350303 520475325 /nfs/dbraw/zinc/47/53/25/520475325.db2.gz QSVSRHVKKJFEGY-QFIPXVFZSA-N 0 0 449.486 3.611 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccccc2F)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350589 520477606 /nfs/dbraw/zinc/47/76/06/520477606.db2.gz TXFWOJFEJICCNI-JOCHJYFZSA-N 0 0 449.486 3.611 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000020602373 520486462 /nfs/dbraw/zinc/48/64/62/520486462.db2.gz OQGQHYIOJVJBDK-PRWBYUBPSA-N 0 0 436.533 3.515 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991646 520507558 /nfs/dbraw/zinc/50/75/58/520507558.db2.gz SERJLSWBIOQEBR-QFIPXVFZSA-N 0 0 425.504 3.861 50 0 IHAARN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557892 520508299 /nfs/dbraw/zinc/50/82/99/520508299.db2.gz VQQMJNDBQRTRSV-HSZRJFAPSA-N 0 0 435.499 3.786 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc21 ZINC000022504147 520526053 /nfs/dbraw/zinc/52/60/53/520526053.db2.gz UWSDFQKBHGHCCS-UHFFFAOYSA-N 0 0 433.530 3.840 50 0 IHAARN CCOC(=O)C1=NN(c2ccc(Br)cc2)C=C(CCO)[P@]1(=O)OCC ZINC000002320287 520543053 /nfs/dbraw/zinc/54/30/53/520543053.db2.gz LRXXZGISQDSUIP-VWLOTQADSA-N 0 0 431.223 3.684 50 0 IHAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)CC(C)C)CC1 ZINC000036001073 520544263 /nfs/dbraw/zinc/54/42/63/520544263.db2.gz VAOXXPLIUDHUDL-UHFFFAOYSA-N 0 0 442.604 3.602 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CCCCN21 ZINC000035445673 520558086 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ZINC000021154526 521004913 /nfs/dbraw/zinc/00/49/13/521004913.db2.gz FSTDVJWBRJWQEC-UHFFFAOYSA-N 0 0 447.601 3.535 50 0 IHAARN CCOc1ccc(N(C)C(=O)CCc2nnc3ccc(NCc4ccc(F)cc4)nn32)cc1 ZINC000021024112 521019672 /nfs/dbraw/zinc/01/96/72/521019672.db2.gz XGKWLOZBNLDDBX-UHFFFAOYSA-N 0 0 448.502 3.870 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3SC)CC2=O)cc1 ZINC000012915383 521044762 /nfs/dbraw/zinc/04/47/62/521044762.db2.gz AFGOPEWZGLLURE-HZPDHXFCSA-N 0 0 442.537 3.731 50 0 IHAARN CCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OCC ZINC000012326863 521057902 /nfs/dbraw/zinc/05/79/02/521057902.db2.gz OYSCWCCEFPWDGV-GOSISDBHSA-N 0 0 425.529 3.773 50 0 IHAARN CCOc1ccc(NC(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)C[C@@H]2CCCO2)cc1 ZINC000035777025 521079687 /nfs/dbraw/zinc/07/96/87/521079687.db2.gz SYODAPFEPFAWAD-NRFANRHFSA-N 0 0 448.541 3.637 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000012788077 521088206 /nfs/dbraw/zinc/08/82/06/521088206.db2.gz 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CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc1 ZINC000012441331 521207433 /nfs/dbraw/zinc/20/74/33/521207433.db2.gz KYTDGXKUOFGAIW-UHFFFAOYSA-N 0 0 438.509 3.913 50 0 IHAARN CCOc1ccc([C@H](CC(=O)NCc2ccccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530579 521262346 /nfs/dbraw/zinc/26/23/46/521262346.db2.gz JJJPNTNMSXTUAC-QFIPXVFZSA-N 0 0 445.519 3.893 50 0 IHAARN CCN(Cc1ccc(Br)s1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000012795291 521296844 /nfs/dbraw/zinc/29/68/44/521296844.db2.gz PCXLXAJYLKKATO-UHFFFAOYSA-N 0 0 436.331 3.968 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4c(C)cc(C)cc4C)CC3)sc2n1 ZINC000020866133 521346373 /nfs/dbraw/zinc/34/63/73/521346373.db2.gz VLTPTVZTCGQFSX-UHFFFAOYSA-N 0 0 439.585 3.884 50 0 IHAARN CCCCn1c(=O)[nH]nc1SCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000016118996 521357210 /nfs/dbraw/zinc/35/72/10/521357210.db2.gz AXLOHFJGDWTNLH-UHFFFAOYSA-N 0 0 425.489 3.502 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2cccc(OC)c2)c1C ZINC000035988988 521363172 /nfs/dbraw/zinc/36/31/72/521363172.db2.gz USJWAKSMJNGVHF-UHFFFAOYSA-N 0 0 438.480 3.935 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nncn2-c2ccc(OC)cc2)c1C ZINC000012557804 521381953 /nfs/dbraw/zinc/38/19/53/521381953.db2.gz CASGMESKMHQBLL-CQSZACIVSA-N 0 0 428.514 3.761 50 0 IHAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)o1 ZINC000033291710 521441146 /nfs/dbraw/zinc/44/11/46/521441146.db2.gz BDJKAOPQPYJBKT-UHFFFAOYSA-N 0 0 436.447 3.662 50 0 IHAARN CCOc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021861936 521481665 /nfs/dbraw/zinc/48/16/65/521481665.db2.gz SMZXABBDYHFHEA-AREMUKBSSA-N 0 0 446.551 3.909 50 0 IHAARN CCOc1ccccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000021262836 521488021 /nfs/dbraw/zinc/48/80/21/521488021.db2.gz OUUNDVHWEXTTHB-UHFFFAOYSA-N 0 0 447.558 3.899 50 0 IHAARN CCOc1ccccc1CNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccc(C)cc2)c1=O ZINC000020947315 521493757 /nfs/dbraw/zinc/49/37/57/521493757.db2.gz MZGWGFWLDWYGSR-UHFFFAOYSA-N 0 0 444.535 3.828 50 0 IHAARN CCOc1ccccc1NC(=O)CCCn1nc(C)c(I)c1C ZINC000012412498 521524091 /nfs/dbraw/zinc/52/40/91/521524091.db2.gz NPGKVDCPUWMQNV-UHFFFAOYSA-N 0 0 427.286 3.922 50 0 IHAARN CCOc1ccccc1NC(=O)COc1cc(CSc2nnc(C)s2)ncc1OC ZINC000015824030 521529164 /nfs/dbraw/zinc/52/91/64/521529164.db2.gz ACTZBXUYXVPLEM-UHFFFAOYSA-N 0 0 446.554 3.959 50 0 IHAARN CCOC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2(=O)=O ZINC000032943517 521531648 /nfs/dbraw/zinc/53/16/48/521531648.db2.gz GXCMBLDGXTXZQJ-UHFFFAOYSA-N 0 0 439.464 3.996 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2c(=O)nc(NC3CCCC3)c3ccccc32)c1 ZINC000033287458 521538917 /nfs/dbraw/zinc/53/89/17/521538917.db2.gz VKUYOAVOAGHKEC-UHFFFAOYSA-N 0 0 434.496 3.566 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1CC)CCN(Cc1ccccc1)C2 ZINC000035457086 521540365 /nfs/dbraw/zinc/54/03/65/521540365.db2.gz PYOUAHPFLCHWGA-UHFFFAOYSA-N 0 0 444.579 3.955 50 0 IHAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2ccccc2C(F)(F)F)nc1N ZINC000021871513 521573320 /nfs/dbraw/zinc/57/33/20/521573320.db2.gz MGXDKIKJIMHWRG-ZDUSSCGKSA-N 0 0 428.436 3.764 50 0 IHAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012194486 521595131 /nfs/dbraw/zinc/59/51/31/521595131.db2.gz OZFPLJSNSXBYHU-INIZCTEOSA-N 0 0 432.952 3.548 50 0 IHAARN CCCn1c(CCC(=O)N[C@H](C)C(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000021871761 521627711 /nfs/dbraw/zinc/62/77/11/521627711.db2.gz ZAOTTWPZRJAFCS-QGZVFWFLSA-N 0 0 436.622 3.570 50 0 IHAARN CCCn1c(CCC(=O)Nc2cccc3c2CCCC3)nc2cc(S(N)(=O)=O)ccc21 ZINC000022880004 521628145 /nfs/dbraw/zinc/62/81/45/521628145.db2.gz ZVWONTMAHUBDGJ-UHFFFAOYSA-N 0 0 440.569 3.544 50 0 IHAARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000022690998 521639410 /nfs/dbraw/zinc/63/94/10/521639410.db2.gz DNKCCNAGIQSPSQ-MRXNPFEDSA-N 0 0 446.598 3.856 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000009661540 521655402 /nfs/dbraw/zinc/65/54/02/521655402.db2.gz PNSRXYJTKHAQCA-UHFFFAOYSA-N 0 0 432.480 3.818 50 0 IHAARN CCCn1cnc2cc(-c3noc([C@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453574 521663302 /nfs/dbraw/zinc/66/33/02/521663302.db2.gz LFKPHVQCAQXILL-HNNXBMFYSA-N 0 0 425.514 3.844 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3cccc(F)c3)cc(=O)n21 ZINC000021797424 521663528 /nfs/dbraw/zinc/66/35/28/521663528.db2.gz GBMYNXJFVMVDBV-UHFFFAOYSA-N 0 0 437.500 3.985 50 0 IHAARN CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000012281643 521677766 /nfs/dbraw/zinc/67/77/66/521677766.db2.gz QSBYROYZBZLLER-JOCHJYFZSA-N 0 0 433.512 3.551 50 0 IHAARN CCCN(Cc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012794555 521684218 /nfs/dbraw/zinc/68/42/18/521684218.db2.gz FNFYBHIBMMINGS-UHFFFAOYSA-N 0 0 446.569 3.970 50 0 IHAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(C)c1C)C(=O)c1cccc(F)c1 ZINC000035993194 521704525 /nfs/dbraw/zinc/70/45/25/521704525.db2.gz GQKXMOQXEGFHKZ-UHFFFAOYSA-N 0 0 446.519 3.709 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021861593 521706002 /nfs/dbraw/zinc/70/60/02/521706002.db2.gz UOPPZXUWLPJHKH-VXQVSLNISA-N 0 0 440.588 3.618 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)c1C ZINC000022126757 521748550 /nfs/dbraw/zinc/74/85/50/521748550.db2.gz UUOZFPYBEJHSOA-UHFFFAOYSA-N 0 0 449.330 3.941 50 0 IHAARN COCCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2cccs2)n1Cc1ccccc1 ZINC000012439504 521772403 /nfs/dbraw/zinc/77/24/03/521772403.db2.gz AOGGAXBAXBDJQS-KRWDZBQOSA-N 0 0 433.599 3.606 50 0 IHAARN CCc1cccc2c([C@H](CC(=O)N3CCN(C(C)=O)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888974 521794808 /nfs/dbraw/zinc/79/48/08/521794808.db2.gz CIFLTBBLBAMBHY-OAQYLSRUSA-N 0 0 447.535 3.672 50 0 IHAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1 ZINC000012462767 521831461 /nfs/dbraw/zinc/83/14/61/521831461.db2.gz LTURTYNFOIGTNT-UHFFFAOYSA-N 0 0 441.487 3.568 50 0 IHAARN COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)cc(C(=O)OC)c1 ZINC000015012960 521888525 /nfs/dbraw/zinc/88/85/25/521888525.db2.gz VKKGQROMWUSBAS-UHFFFAOYSA-N 0 0 426.650 3.928 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc(Cl)c1OC ZINC000018137814 521966812 /nfs/dbraw/zinc/96/68/12/521966812.db2.gz VZZCHPAJMOFACX-BOPFTXTBSA-N 0 0 426.856 3.829 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(Br)cc2C(C)=O)c1 ZINC000012880674 521989321 /nfs/dbraw/zinc/98/93/21/521989321.db2.gz WNZHXSKKCMAKMY-UHFFFAOYSA-N 0 0 427.272 3.514 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(Cl)c1OC ZINC000012745953 522067027 /nfs/dbraw/zinc/06/70/27/522067027.db2.gz UINAIFZZYZDSDV-UHFFFAOYSA-N 0 0 445.899 3.864 50 0 IHAARN COCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cn(C)nc1OC ZINC000012422672 522071898 /nfs/dbraw/zinc/07/18/98/522071898.db2.gz SWUDQORVRAKJDP-UHFFFAOYSA-N 0 0 428.345 3.933 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc1OC(C)C ZINC000012928461 522083202 /nfs/dbraw/zinc/08/32/02/522083202.db2.gz DNWLPHDNEWBVHJ-UHFFFAOYSA-N 0 0 442.541 3.552 50 0 IHAARN CC[C@@H](C)N1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021866444 522110700 /nfs/dbraw/zinc/11/07/00/522110700.db2.gz UAKCJZTYHZPSKA-SHACYNPGSA-N 0 0 442.535 3.811 50 0 IHAARN COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)ccc1OC(F)F ZINC000012887700 522165061 /nfs/dbraw/zinc/16/50/61/522165061.db2.gz AXLHMVZGTVXUFX-TXEJJXNPSA-N 0 0 427.473 3.615 50 0 IHAARN COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)ccc1OCCC(C)C ZINC000012632694 522170784 /nfs/dbraw/zinc/17/07/84/522170784.db2.gz KGIRNEZVAXTCJU-UHFFFAOYSA-N 0 0 437.500 3.988 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000012747514 522177910 /nfs/dbraw/zinc/17/79/10/522177910.db2.gz WIZMOSRBFRXYSZ-HXUWFJFHSA-N 0 0 444.487 3.715 50 0 IHAARN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2CCOCC2)C3)c1 ZINC000011974682 522188976 /nfs/dbraw/zinc/18/89/76/522188976.db2.gz TUWIHTLWIYQRTH-LJQANCHMSA-N 0 0 429.900 3.640 50 0 IHAARN COC(=O)c1cccc(CNC(=O)CSc2cc(C)c3c(OC)ccc(OC)c3n2)c1 ZINC000012446554 522210200 /nfs/dbraw/zinc/21/02/00/522210200.db2.gz IYUCWRKKIHILHE-UHFFFAOYSA-N 0 0 440.521 3.756 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)Cc1csc(C)n1)C2 ZINC000014990698 522252699 /nfs/dbraw/zinc/25/26/99/522252699.db2.gz IKFLFHSDORTJCL-GOSISDBHSA-N 0 0 436.533 3.876 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(C)c1C ZINC000012855808 522259164 /nfs/dbraw/zinc/25/91/64/522259164.db2.gz OGAZKUMGVDOOJQ-INIZCTEOSA-N 0 0 443.594 3.841 50 0 IHAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000012865512 522285729 /nfs/dbraw/zinc/28/57/29/522285729.db2.gz DRECEDILFZMIPN-UHFFFAOYSA-N 0 0 441.534 3.703 50 0 IHAARN COc1cc(CCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc(OC)c1 ZINC000021533463 522323774 /nfs/dbraw/zinc/32/37/74/522323774.db2.gz AERKWMUBIGQUFO-UHFFFAOYSA-N 0 0 437.462 3.789 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000012140033 522410403 /nfs/dbraw/zinc/41/04/03/522410403.db2.gz FFMHIVWYEJWDHP-GHVJWSGMSA-N 0 0 443.594 3.934 50 0 IHAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000012415191 522432616 /nfs/dbraw/zinc/43/26/16/522432616.db2.gz LKWSERPCEAVJIH-UHFFFAOYSA-N 0 0 446.550 3.564 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000036001935 522469253 /nfs/dbraw/zinc/46/92/53/522469253.db2.gz LMZHGKOQRLMZHE-UHFFFAOYSA-N 0 0 426.524 3.649 50 0 IHAARN COc1cc(C[C@@]2(CCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CCC(=O)N2)ccc1F ZINC000012156352 522504464 /nfs/dbraw/zinc/50/44/64/522504464.db2.gz XYBUGXMRQPHXFY-CLOONOSVSA-N 0 0 442.506 3.961 50 0 IHAARN COc1cc(NC(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc(OC)c1OC ZINC000035403970 522658200 /nfs/dbraw/zinc/65/82/00/522658200.db2.gz GKLUQKBKUXCCGK-UHFFFAOYSA-N 0 0 448.523 3.626 50 0 IHAARN CC[C@@H](NC(=O)Cn1c2ccccc2nc1-c1nonc1N)C12CC3CC(CC(C3)C1)C2 ZINC000012418749 522701083 /nfs/dbraw/zinc/70/10/83/522701083.db2.gz PTDDQCSFYNIEIT-NFQTVLRUSA-N 0 0 434.544 3.780 50 0 IHAARN COc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020531187 522707313 /nfs/dbraw/zinc/70/73/13/522707313.db2.gz AHRJMNCFFHKQEE-OAQYLSRUSA-N 0 0 446.503 3.918 50 0 IHAARN CCc1nn2c(nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)cc2=O)s1 ZINC000022039212 522710260 /nfs/dbraw/zinc/71/02/60/522710260.db2.gz IZNASCVZBAVVMX-UHFFFAOYSA-N 0 0 436.522 3.846 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C1\N=C(c2cc(Br)ccc2OC)OC1=O ZINC000020615986 522818521 /nfs/dbraw/zinc/81/85/21/522818521.db2.gz SEQKWMRCHXJBQD-AUWJEWJLSA-N 0 0 448.269 3.828 50 0 IHAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1nccn1-c1ccc(Cl)cc1 ZINC000012627518 522822672 /nfs/dbraw/zinc/82/26/72/522822672.db2.gz RLQUOKLICBUBMH-UHFFFAOYSA-N 0 0 447.944 3.960 50 0 IHAARN COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2C)c1 ZINC000035847725 522838555 /nfs/dbraw/zinc/83/85/55/522838555.db2.gz HEJMZLUKRGTELS-UHFFFAOYSA-N 0 0 438.553 3.974 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)c1 ZINC000035530854 522843251 /nfs/dbraw/zinc/84/32/51/522843251.db2.gz MNFJXOASCVGCCU-UHFFFAOYSA-N 0 0 432.467 3.541 50 0 IHAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402668 522865512 /nfs/dbraw/zinc/86/55/12/522865512.db2.gz KHAGNADXVFEGOW-FQEVSTJZSA-N 0 0 430.467 3.606 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1c(F)cccc1F ZINC000012775319 522868357 /nfs/dbraw/zinc/86/83/57/522868357.db2.gz FJURMUWPNYVGEU-LJQANCHMSA-N 0 0 432.448 3.619 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1Cl ZINC000001110843 522893642 /nfs/dbraw/zinc/89/36/42/522893642.db2.gz IJTUHIJZWGAZHV-UHFFFAOYSA-N 0 0 434.867 3.878 50 0 IHAARN COc1cc(SC)ccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012750094 522897149 /nfs/dbraw/zinc/89/71/49/522897149.db2.gz ZZEUWKBBQQXQPI-UHFFFAOYSA-N 0 0 427.522 3.923 50 0 IHAARN COCc1c(C(=O)NCc2ccc(F)c(F)c2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012128693 522898164 /nfs/dbraw/zinc/89/81/64/522898164.db2.gz KPZFEYBZKSYLIF-UHFFFAOYSA-N 0 0 441.463 3.745 50 0 IHAARN COC(=O)C1CCN(C(=O)c2ccc(Oc3coc4cc(OC)ccc4c3=O)cc2)CC1 ZINC000012409961 522912113 /nfs/dbraw/zinc/91/21/13/522912113.db2.gz IENALIQYIHUMAV-UHFFFAOYSA-N 0 0 437.448 3.619 50 0 biogenic IHAARN CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NCCc4ccccc4Cl)C3)c12 ZINC000021881490 522921607 /nfs/dbraw/zinc/92/16/07/522921607.db2.gz RUYNZJIEPVAWOT-INIZCTEOSA-N 0 0 427.936 3.717 50 0 IHAARN COc1cc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@H](C)C4)nc3C2)cc(OC)c1OC ZINC000012407530 522926904 /nfs/dbraw/zinc/92/69/04/522926904.db2.gz GVWJAGGCRKUJBW-XHSDSOJGSA-N 0 0 425.529 3.897 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc3c(c2)OCO3)=Nc2ccccc2N1 ZINC000035480677 522935335 /nfs/dbraw/zinc/93/53/35/522935335.db2.gz SYYQGKHDMHNHSE-UHFFFAOYSA-N 0 0 425.466 3.690 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000012449394 522959735 /nfs/dbraw/zinc/95/97/35/522959735.db2.gz KGNOCNOYJKHJRY-HXUWFJFHSA-N 0 0 425.598 3.894 50 0 IHAARN COc1cc2c(cc1/C=C/C(=O)N1CCN(Cc3nc4ccccc4s3)CC1)O[C@@H](C)C2 ZINC000023908388 522996310 /nfs/dbraw/zinc/99/63/10/522996310.db2.gz RPLVLKRMVGFSOB-OZSKJFCKSA-N 0 0 449.576 3.986 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccccc1)C2 ZINC000020724400 523020870 /nfs/dbraw/zinc/02/08/70/523020870.db2.gz SWPNDYVJNJVQCR-UHFFFAOYSA-N 0 0 426.476 3.786 50 0 IHAARN COC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1C ZINC000024477946 523067735 /nfs/dbraw/zinc/06/77/35/523067735.db2.gz XCVHFRNFHRMETD-UHFFFAOYSA-N 0 0 426.332 3.512 50 0 IHAARN COc1ccc(-c2c(C(=O)Nc3cc(OC)cc(OC)c3)nn3c2[nH]c(=O)cc3C)cc1 ZINC000033123340 523076979 /nfs/dbraw/zinc/07/69/79/523076979.db2.gz NEPCVLUNANULEY-UHFFFAOYSA-N 0 0 434.452 3.688 50 0 IHAARN CCn1c(C)c(C(=O)[C@@H](C)N(C2CC2)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)OC ZINC000036025792 523123240 /nfs/dbraw/zinc/12/32/40/523123240.db2.gz WGSYTMMZGVLEHG-QGZVFWFLSA-N 0 0 446.569 3.644 50 0 IHAARN COc1ccc(-c2cc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000024204483 523124203 /nfs/dbraw/zinc/12/42/03/523124203.db2.gz TZBNMFVVWGZOKM-XLIONFOSSA-N 0 0 440.569 3.516 50 0 IHAARN CCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)c1C ZINC000012769360 523127808 /nfs/dbraw/zinc/12/78/08/523127808.db2.gz ZGOHRDJYTPEISL-UHFFFAOYSA-N 0 0 443.429 3.922 50 0 IHAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000035685344 523153257 /nfs/dbraw/zinc/15/32/57/523153257.db2.gz NKQLZAVRQNFSSV-SFHVURJKSA-N 0 0 434.452 3.941 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1CC ZINC000033287532 523154178 /nfs/dbraw/zinc/15/41/78/523154178.db2.gz DKNJDYQAQVGOAU-OAHLLOKOSA-N 0 0 442.585 3.800 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(OC)c3)n2)cc1 ZINC000015670192 523156966 /nfs/dbraw/zinc/15/69/66/523156966.db2.gz GEOMRVGBUASEMS-LJQANCHMSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(-c2csc3nc(C)nc(N4CCC[C@@H]4C(=O)N(C)C)c23)cc1OC ZINC000012817394 523174216 /nfs/dbraw/zinc/17/42/16/523174216.db2.gz XLAOTVOGXCZPPO-MRXNPFEDSA-N 0 0 426.542 3.741 50 0 IHAARN CCn1c(CCC(N)=O)nnc1Sc1nc(C)nc2scc(-c3cccs3)c21 ZINC000012784455 523180265 /nfs/dbraw/zinc/18/02/65/523180265.db2.gz OPZFVLSUDXFVPZ-UHFFFAOYSA-N 0 0 430.584 3.909 50 0 IHAARN COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)c(OC)c1 ZINC000035459914 523186113 /nfs/dbraw/zinc/18/61/13/523186113.db2.gz OESDCGFYNYAFSN-UHFFFAOYSA-N 0 0 447.495 3.783 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4OC)CC3)c(C)o2)cc1C ZINC000020235924 523202937 /nfs/dbraw/zinc/20/29/37/523202937.db2.gz BICSDQRZABBHTA-UHFFFAOYSA-N 0 0 435.524 3.934 50 0 IHAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)n3nc(-c4ccccc4)ccc3=O)cs2)cc1 ZINC000042381017 523206797 /nfs/dbraw/zinc/20/67/97/523206797.db2.gz UJRVZQCJRICYGJ-MRXNPFEDSA-N 0 0 446.532 3.920 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3N)c(C)o2)cc1 ZINC000033291849 523218354 /nfs/dbraw/zinc/21/83/54/523218354.db2.gz VOIALYQFCUUSJU-UHFFFAOYSA-N 0 0 432.484 3.750 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccccn2)c(OC)c1 ZINC000021183611 523241773 /nfs/dbraw/zinc/24/17/73/523241773.db2.gz AYYCTSUWIALROM-UHFFFAOYSA-N 0 0 428.492 3.924 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1cc(OC)ccc1OC ZINC000044889862 523245807 /nfs/dbraw/zinc/24/58/07/523245807.db2.gz PALFAXPXXLOJJR-SFHVURJKSA-N 0 0 436.468 3.885 50 0 IHAARN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000012783375 523302920 /nfs/dbraw/zinc/30/29/20/523302920.db2.gz ZYJRZLXCUYJCDS-UHFFFAOYSA-N 0 0 435.977 3.856 50 0 IHAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000012613243 523334575 /nfs/dbraw/zinc/33/45/75/523334575.db2.gz JMHPCTFBLOUZFE-HSZRJFAPSA-N 0 0 432.524 3.995 50 0 IHAARN CC[C@@H]1CCc2sc(C(=O)OCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)cc2C1 ZINC000009253954 523373559 /nfs/dbraw/zinc/37/35/59/523373559.db2.gz IAPCPZIWKXCQAK-GFCCVEGCSA-N 0 0 426.494 3.643 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)N3CCCCCC3)s2)cc1 ZINC000065032067 523390482 /nfs/dbraw/zinc/39/04/82/523390482.db2.gz HIIMWOHXDJXQNA-XYOKQWHBSA-N 0 0 434.583 3.651 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)cc2NC1=O ZINC000020762231 523420588 /nfs/dbraw/zinc/42/05/88/523420588.db2.gz IUYCKDJNTCKOJN-GOSISDBHSA-N 0 0 446.550 3.515 50 0 IHAARN CCn1cc([C@H]2NC(=O)Nc3c4sc5nc(C(F)(F)F)cc(C)c5c4[nH]c(=O)c32)cn1 ZINC000020607325 523483077 /nfs/dbraw/zinc/48/30/77/523483077.db2.gz MKLPWBCJMHDFSG-GFCCVEGCSA-N 0 0 448.430 3.906 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4C)C3)ccc21 ZINC000021646621 523495770 /nfs/dbraw/zinc/49/57/70/523495770.db2.gz PGEGUYOBXJFVDU-NRFANRHFSA-N 0 0 439.581 3.687 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012576911 523506609 /nfs/dbraw/zinc/50/66/09/523506609.db2.gz XXBWDUAXBXIPNR-CYBMUJFWSA-N 0 0 436.331 3.683 50 0 IHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000012535323 523563372 /nfs/dbraw/zinc/56/33/72/523563372.db2.gz UYLRUQUXKOVWBK-UHFFFAOYSA-N 0 0 436.462 3.902 50 0 IHAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012921743 523571647 /nfs/dbraw/zinc/57/16/47/523571647.db2.gz BUFXHJGRHUQPNA-UHFFFAOYSA-N 0 0 446.941 3.946 50 0 IHAARN CCn1cnc2cc(-c3noc([C@@H](NS(=O)(=O)c4ccccc4)C(C)C)n3)ccc21 ZINC000035453376 523572976 /nfs/dbraw/zinc/57/29/76/523572976.db2.gz VBBFYWZVUAIFGE-IBGZPJMESA-N 0 0 425.514 3.782 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1OC ZINC000012223791 523649184 /nfs/dbraw/zinc/64/91/84/523649184.db2.gz YYNGCYHGTXDNHP-UHFFFAOYSA-N 0 0 434.496 3.557 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)cc1OC ZINC000021793928 523650480 /nfs/dbraw/zinc/65/04/80/523650480.db2.gz QOHCOJZPWHIWAQ-UHFFFAOYSA-N 0 0 447.539 3.817 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 ZINC000024357756 523650895 /nfs/dbraw/zinc/65/08/95/523650895.db2.gz UJEKLMZHKKVNCD-UHFFFAOYSA-N 0 0 446.532 3.879 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1OC ZINC000035553246 523650859 /nfs/dbraw/zinc/65/08/59/523650859.db2.gz OUFBYBXNKJNBPC-UHFFFAOYSA-N 0 0 448.523 3.984 50 0 IHAARN COc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1OC ZINC000012371190 523653223 /nfs/dbraw/zinc/65/32/23/523653223.db2.gz VENKHIVCVFHPFO-UHFFFAOYSA-N 0 0 429.826 3.733 50 0 IHAARN CN(c1ccccc1C(N)=O)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000012919148 523655129 /nfs/dbraw/zinc/65/51/29/523655129.db2.gz GUCYIXCKDYPZIY-UHFFFAOYSA-N 0 0 438.130 3.680 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000035946651 523655531 /nfs/dbraw/zinc/65/55/31/523655531.db2.gz UONGFQLTXNFXBX-FQEVSTJZSA-N 0 0 443.569 3.565 50 0 IHAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)CC(C)C ZINC000036046000 523657860 /nfs/dbraw/zinc/65/78/60/523657860.db2.gz DAYNBIWDDXVIJR-UHFFFAOYSA-N 0 0 434.540 3.999 50 0 IHAARN COCCN(CCOC)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012853637 523708884 /nfs/dbraw/zinc/70/88/84/523708884.db2.gz LBHSACSZTPRATF-UHFFFAOYSA-N 0 0 427.932 3.857 50 0 IHAARN CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)c4ccc(Br)cc4)c(=O)c32)CO1 ZINC000021147126 523729025 /nfs/dbraw/zinc/72/90/25/523729025.db2.gz AMPLZRIMAFYUJZ-IBGZPJMESA-N 0 0 448.342 3.740 50 0 IHAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1cccs1 ZINC000036011998 523739388 /nfs/dbraw/zinc/73/93/88/523739388.db2.gz NTMMPGZMRKCOHB-UHFFFAOYSA-N 0 0 432.498 3.718 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)cc1 ZINC000021633342 523746398 /nfs/dbraw/zinc/74/63/98/523746398.db2.gz YOSPYQCODOMKGD-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4ccc(C(C)=O)s4)c3O2)n(C)n1 ZINC000012149574 523767614 /nfs/dbraw/zinc/76/76/14/523767614.db2.gz DUDCQLULMKYOBP-MRXNPFEDSA-N 0 0 427.501 3.786 50 0 IHAARN COCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(COc2ccc(F)cc2)no1 ZINC000012809900 523778840 /nfs/dbraw/zinc/77/88/40/523778840.db2.gz ICQZMUCCMQMXTK-UHFFFAOYSA-N 0 0 445.476 3.548 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SC[C@H](O)COc1cc(Cl)ccc1Cl ZINC000012900896 523799343 /nfs/dbraw/zinc/79/93/43/523799343.db2.gz GJSYKACGUAMGLC-CYBMUJFWSA-N 0 0 441.340 3.818 50 0 IHAARN COc1ccc(C)cc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012805243 523808924 /nfs/dbraw/zinc/80/89/24/523808924.db2.gz LQXJMLRVWKWKMI-UHFFFAOYSA-N 0 0 425.554 3.772 50 0 IHAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)OCCO3)[nH]c1c2C(=O)CCC1 ZINC000020990519 523844928 /nfs/dbraw/zinc/84/49/28/523844928.db2.gz XNBHYSZWYIASEX-UHFFFAOYSA-N 0 0 426.494 3.821 50 0 IHAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)NC2=O)cc1 ZINC000020556719 523873599 /nfs/dbraw/zinc/87/35/99/523873599.db2.gz PTSJEZXVELNAHW-UHFFFAOYSA-N 0 0 446.429 3.657 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000035947714 523875710 /nfs/dbraw/zinc/87/57/10/523875710.db2.gz AILCWNUFWAHLTQ-JOCHJYFZSA-N 0 0 435.524 3.640 50 0 IHAARN COc1ccc(CC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c(OC)c1OC ZINC000012506282 523904807 /nfs/dbraw/zinc/90/48/07/523904807.db2.gz PTPPZKPMVDBZPV-LJQANCHMSA-N 0 0 429.904 3.548 50 0 IHAARN COc1ccc(CCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000012630307 523928161 /nfs/dbraw/zinc/92/81/61/523928161.db2.gz DCQJHIMLOHZRPT-UHFFFAOYSA-N 0 0 431.539 3.762 50 0 IHAARN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC000014958544 523953047 /nfs/dbraw/zinc/95/30/47/523953047.db2.gz LTSJAURFGAUTBG-XMMPIXPASA-N 0 0 448.567 3.568 50 0 IHAARN COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012920973 523967494 /nfs/dbraw/zinc/96/74/94/523967494.db2.gz GFLKAANOQYGGEY-FQEVSTJZSA-N 0 0 444.871 3.803 50 0 IHAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000012371313 523971710 /nfs/dbraw/zinc/97/17/10/523971710.db2.gz NVVRGTZIVAKIGP-UHFFFAOYSA-N 0 0 448.475 3.657 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000012801587 523976403 /nfs/dbraw/zinc/97/64/03/523976403.db2.gz FVGXCMDBFAKKRA-UHFFFAOYSA-N 0 0 449.164 3.741 50 0 IHAARN CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2O1 ZINC000022281976 524013898 /nfs/dbraw/zinc/01/38/98/524013898.db2.gz VTXDDANZOOAWNB-FQEVSTJZSA-N 0 0 439.899 3.810 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCC(C)CC4)nc23)cc1 ZINC000020516424 524018373 /nfs/dbraw/zinc/01/83/73/524018373.db2.gz WIPAKQULPYHEHR-UHFFFAOYSA-N 0 0 441.582 3.971 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000894 524022277 /nfs/dbraw/zinc/02/22/77/524022277.db2.gz AQIQGGAKHOQZNX-KRWDZBQOSA-N 0 0 432.904 3.576 50 0 IHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCc2ccccc2C1 ZINC000035937956 524023348 /nfs/dbraw/zinc/02/33/48/524023348.db2.gz WSRJSHSLWYGNMV-UHFFFAOYSA-N 0 0 442.313 3.714 50 0 IHAARN COc1ccc(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c2nc(C)cc3C)cc1OC ZINC000020992762 524055917 /nfs/dbraw/zinc/05/59/17/524055917.db2.gz CJTFVEPYEDRQOJ-UHFFFAOYSA-N 0 0 447.539 3.789 50 0 IHAARN CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000012442927 524075325 /nfs/dbraw/zinc/07/53/25/524075325.db2.gz HCHXSNDOPKRGGA-UHFFFAOYSA-N 0 0 427.507 3.629 50 0 IHAARN Cc1ccc2oc(N3CCCN(C(=O)c4ccc(-c5noc(C6CC6)n5)cc4)CC3)nc2n1 ZINC000033324498 524094314 /nfs/dbraw/zinc/09/43/14/524094314.db2.gz IIHFLUABIAAPPG-UHFFFAOYSA-N 0 0 444.495 3.811 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3cccn3-c3nnc(N4CCCC4)s3)CC2)c1 ZINC000020980761 524126226 /nfs/dbraw/zinc/12/62/26/524126226.db2.gz IJVWICWDNSSABK-UHFFFAOYSA-N 0 0 436.585 3.508 50 0 IHAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4nccs4)n3)o2)c1 ZINC000021721662 524128084 /nfs/dbraw/zinc/12/80/84/524128084.db2.gz AJONCFBHEQBBCT-UHFFFAOYSA-N 0 0 428.499 3.748 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c1 ZINC000021355708 524134262 /nfs/dbraw/zinc/13/42/62/524134262.db2.gz HOHSCZOTWIMADT-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012769126 524134428 /nfs/dbraw/zinc/13/44/28/524134428.db2.gz WJCBDDLUXNNNMU-KDOFPFPSSA-N 0 0 448.507 3.681 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 ZINC000033268388 524135211 /nfs/dbraw/zinc/13/52/11/524135211.db2.gz CPWALRIIPFZJIC-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccnc1 ZINC000021860878 524140661 /nfs/dbraw/zinc/14/06/61/524140661.db2.gz JPLYDSHEFHNGRG-VDABOFBKSA-N 0 0 431.540 3.541 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000020765662 524169150 /nfs/dbraw/zinc/16/91/50/524169150.db2.gz JPSSQEIKJWMYEF-MAODMQOUSA-N 0 0 434.989 3.925 50 0 IHAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O ZINC000012554054 524181819 /nfs/dbraw/zinc/18/18/19/524181819.db2.gz NYPPYNZVHBINSM-NSYGIPOTSA-N 0 0 449.555 3.664 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Nc1nnc(CC(=O)NCc2ccccc2)s1 ZINC000021703681 524238220 /nfs/dbraw/zinc/23/82/20/524238220.db2.gz ZEPITAKGNJSGJC-UHFFFAOYSA-N 0 0 431.905 3.703 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000021785814 524252845 /nfs/dbraw/zinc/25/28/45/524252845.db2.gz PAXKTLDDVQDUPI-LBPRGKRZSA-N 0 0 429.835 3.674 50 0 IHAARN COc1ccc(Cn2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000009192537 524258258 /nfs/dbraw/zinc/25/82/58/524258258.db2.gz CRHREMFAWALYAE-UHFFFAOYSA-N 0 0 447.539 3.769 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000013006473 524274974 /nfs/dbraw/zinc/27/49/74/524274974.db2.gz RCCOPHGYTOPUTF-GOSISDBHSA-N 0 0 429.948 3.507 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(C)cc1C)[nH]c2=O ZINC000017025823 524307397 /nfs/dbraw/zinc/30/73/97/524307397.db2.gz CCPIIBOCLMSILQ-UHFFFAOYSA-N 0 0 435.509 3.877 50 0 IHAARN Cc1cccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000021049780 524360842 /nfs/dbraw/zinc/36/08/42/524360842.db2.gz QFRVDTTXFVNRMR-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2nc(C)ccc2c1=O ZINC000021151563 524362922 /nfs/dbraw/zinc/36/29/22/524362922.db2.gz WSROCEOXVFOKQI-UHFFFAOYSA-N 0 0 445.450 3.722 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000034872007 524363744 /nfs/dbraw/zinc/36/37/44/524363744.db2.gz YQXMYIKKCPMNQP-ZIFCJYIRSA-N 0 0 428.554 3.828 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012920283 524363847 /nfs/dbraw/zinc/36/38/47/524363847.db2.gz CVTXJFAMBJAPCM-UHFFFAOYSA-N 0 0 426.582 3.543 50 0 IHAARN COc1ccc(N(Cc2ccco2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 ZINC000035673286 524369424 /nfs/dbraw/zinc/36/94/24/524369424.db2.gz PKHLBDONZXKBPQ-UHFFFAOYSA-N 0 0 439.489 3.635 50 0 IHAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)COc2ccc(Cl)cc2C)CC3)n1 ZINC000012211927 524425081 /nfs/dbraw/zinc/42/50/81/524425081.db2.gz UGGWDTNDLAQPIU-HXUWFJFHSA-N 0 0 441.959 3.676 50 0 IHAARN Cc1cc(C)cc(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000012289633 524440389 /nfs/dbraw/zinc/44/03/89/524440389.db2.gz DDCYIMUBXHIZFE-DNQXCXABSA-N 0 0 438.568 3.922 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2SCc2ccccc2)cc1 ZINC000012891144 524457205 /nfs/dbraw/zinc/45/72/05/524457205.db2.gz XMRVXDWTQSQLDX-UHFFFAOYSA-N 0 0 449.532 3.681 50 0 IHAARN COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(OC)c1 ZINC000020737583 524475495 /nfs/dbraw/zinc/47/54/95/524475495.db2.gz NKGNMCCVWPLVJV-UHFFFAOYSA-N 0 0 425.460 3.628 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc2)n1 ZINC000022227376 524478290 /nfs/dbraw/zinc/47/82/90/524478290.db2.gz OUCRTZZDEKIAJT-UHFFFAOYSA-N 0 0 448.552 3.559 50 0 IHAARN COc1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1NC(C)=O ZINC000012740690 524488235 /nfs/dbraw/zinc/48/82/35/524488235.db2.gz DHVZTOHJNIQUIO-UHFFFAOYSA-N 0 0 425.514 3.912 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)cc1 ZINC000020529986 524509459 /nfs/dbraw/zinc/50/94/59/524509459.db2.gz HTAZHOQVDBOUMK-UHFFFAOYSA-N 0 0 437.590 3.657 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 ZINC000012683255 524527494 /nfs/dbraw/zinc/52/74/94/524527494.db2.gz CEOMHPJBAQBSSE-UHFFFAOYSA-N 0 0 442.512 3.632 50 0 IHAARN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012782878 524531058 /nfs/dbraw/zinc/53/10/58/524531058.db2.gz JRDHZEQHJNKQSP-NQIIRXRSSA-N 0 0 439.556 3.858 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012767878 524531268 /nfs/dbraw/zinc/53/12/68/524531268.db2.gz XOMQLDQNUHEJBY-RCDICMHDSA-N 0 0 448.350 3.898 50 0 IHAARN COc1ccccc1N([C@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000016694795 524531753 /nfs/dbraw/zinc/53/17/53/524531753.db2.gz HRWADUZBGVHTHL-MRXNPFEDSA-N 0 0 442.562 3.930 50 0 IHAARN Cc1cccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000034927603 524534195 /nfs/dbraw/zinc/53/41/95/524534195.db2.gz RBIYZCIWXCRHSG-UHFFFAOYSA-N 0 0 436.986 3.909 50 0 IHAARN Cc1cccc(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)c1C ZINC000021355645 524587417 /nfs/dbraw/zinc/58/74/17/524587417.db2.gz KXYBTHKWGQOWFR-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000009218388 524591379 /nfs/dbraw/zinc/59/13/79/524591379.db2.gz VZJMLOGIMKUSSA-UHFFFAOYSA-N 0 0 440.521 3.607 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc1Cl ZINC000033267470 524593257 /nfs/dbraw/zinc/59/32/57/524593257.db2.gz KUZPXVYSGFMUJK-CQSZACIVSA-N 0 0 439.903 3.625 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(OC)c1 ZINC000015654707 524627245 /nfs/dbraw/zinc/62/72/45/524627245.db2.gz NDVKXFGXFHNXBZ-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000024609025 524632702 /nfs/dbraw/zinc/63/27/02/524632702.db2.gz NVMBUTQEIAXBGY-UHFFFAOYSA-N 0 0 430.570 3.963 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)c1 ZINC000035405584 524661233 /nfs/dbraw/zinc/66/12/33/524661233.db2.gz AHJFDMMTNBQTSU-UHFFFAOYSA-N 0 0 442.519 3.510 50 0 IHAARN COc1ccccc1OCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000022184925 524676971 /nfs/dbraw/zinc/67/69/71/524676971.db2.gz BBMJMJKTUOMMGH-KQWNVCNZSA-N 0 0 444.512 3.923 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 ZINC000012584507 524692712 /nfs/dbraw/zinc/69/27/12/524692712.db2.gz RZYZGOILNAHOTB-INIZCTEOSA-N 0 0 425.510 3.690 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(Cc1nc(-c3cccc(F)c3)no1)c2=O ZINC000033293093 524719274 /nfs/dbraw/zinc/71/92/74/524719274.db2.gz MQVCLGVSNLEAPD-UHFFFAOYSA-N 0 0 436.834 3.781 50 0 IHAARN Cc1cccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000033268543 524720027 /nfs/dbraw/zinc/72/00/27/524720027.db2.gz CSUVJTIAAWRIAL-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1cc(CNC(=O)c2c(=O)cc(C)n(Cc3ccncc3)c2Cc2ccccc2C)on1 ZINC000012243791 524744655 /nfs/dbraw/zinc/74/46/55/524744655.db2.gz OQTNMYBQNSLZKB-UHFFFAOYSA-N 0 0 442.519 3.726 50 0 IHAARN COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012922883 524772364 /nfs/dbraw/zinc/77/23/64/524772364.db2.gz LQWZIJXMCTVYGN-UMADGWCESA-N 0 0 428.554 3.585 50 0 IHAARN COc1ccccc1[C@H]1CN(CCNC(=O)c2cn3ccsc3n2)Cc2ccccc2O1 ZINC000012246516 524817520 /nfs/dbraw/zinc/81/75/20/524817520.db2.gz APVXDVKHLFWVHU-JOCHJYFZSA-N 0 0 448.548 3.770 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000035530355 524858124 /nfs/dbraw/zinc/85/81/24/524858124.db2.gz YLLWUZNTQADOKX-UHFFFAOYSA-N 0 0 425.529 3.963 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000022799821 524894419 /nfs/dbraw/zinc/89/44/19/524894419.db2.gz GMTZVTJMLSKZJT-ZYJSVEMRSA-N 0 0 449.595 3.698 50 0 IHAARN COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1 ZINC000020608144 524904501 /nfs/dbraw/zinc/90/45/01/524904501.db2.gz VRMACXGJIJYJLK-HXPMCKFVSA-N 0 0 433.302 3.837 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036059408 524916587 /nfs/dbraw/zinc/91/65/87/524916587.db2.gz ZEKZFWJNZZTTCZ-NHCUHLMSSA-N 0 0 440.515 3.711 50 0 IHAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000016903072 524967498 /nfs/dbraw/zinc/96/74/98/524967498.db2.gz JDNPASRPBICMKE-MSOLQXFVSA-N 0 0 437.540 3.599 50 0 IHAARN C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O ZINC000012926929 524980107 /nfs/dbraw/zinc/98/01/07/524980107.db2.gz YNEUYXYQTASATC-LBPRGKRZSA-N 0 0 427.353 3.976 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1OC ZINC000035399234 525023063 /nfs/dbraw/zinc/02/30/63/525023063.db2.gz XNMDYCCMANPXNV-UHFFFAOYSA-N 0 0 439.537 3.600 50 0 biogenic IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)Cn1c(=O)oc2ccccc21 ZINC000012112160 525033662 /nfs/dbraw/zinc/03/36/62/525033662.db2.gz FYDDCNLDUCVPPF-GOSISDBHSA-N 0 0 430.508 3.919 50 0 IHAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000020510486 525037374 /nfs/dbraw/zinc/03/73/74/525037374.db2.gz DGJQUIGRFZHFAY-UHFFFAOYSA-N 0 0 434.521 3.845 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000012803289 525045527 /nfs/dbraw/zinc/04/55/27/525045527.db2.gz AUVCDSOMFSMKIE-MOPGFXCFSA-N 0 0 434.536 3.757 50 0 IHAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c(Cl)c1 ZINC000021729468 525050084 /nfs/dbraw/zinc/05/00/84/525050084.db2.gz GOUWTWCPQNFEGH-UHFFFAOYSA-N 0 0 442.368 3.693 50 0 IHAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000012824435 525054166 /nfs/dbraw/zinc/05/41/66/525054166.db2.gz SXOACQJGFNGBAH-UHFFFAOYSA-N 0 0 428.510 3.680 50 0 IHAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1F ZINC000022767495 525062200 /nfs/dbraw/zinc/06/22/00/525062200.db2.gz ZIHLYGQBHAAIMR-NRFANRHFSA-N 0 0 446.569 3.974 50 0 IHAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1 ZINC000012744947 525079241 /nfs/dbraw/zinc/07/92/41/525079241.db2.gz MUTUNNBLXRSTMU-INIZCTEOSA-N 0 0 446.393 3.820 50 0 IHAARN Cc1cc(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc(C(C)C)n1 ZINC000012805747 525080155 /nfs/dbraw/zinc/08/01/55/525080155.db2.gz LMTJSZZTMKTION-UHFFFAOYSA-N 0 0 429.373 3.726 50 0 IHAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)C2CC2)cc1 ZINC000012391105 525093191 /nfs/dbraw/zinc/09/31/91/525093191.db2.gz ARXBZCGKTYHRON-UHFFFAOYSA-N 0 0 428.510 3.936 50 0 IHAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000012742682 525098542 /nfs/dbraw/zinc/09/85/42/525098542.db2.gz CWSPMIQQDLKINU-UHFFFAOYSA-N 0 0 447.582 3.519 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 ZINC000021268534 525101627 /nfs/dbraw/zinc/10/16/27/525101627.db2.gz SILRDHYVZKQFAU-CHWSQXEVSA-N 0 0 448.292 3.623 50 0 IHAARN Cc1ccc(NC(=O)N(C)CCc2noc(C(=O)NCc3ccc(F)cc3)n2)cc1Cl ZINC000033273386 525112247 /nfs/dbraw/zinc/11/22/47/525112247.db2.gz OLEBIFAQHVGTCZ-UHFFFAOYSA-N 0 0 445.882 3.807 50 0 IHAARN C[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc2ccccc21 ZINC000022520543 525115259 /nfs/dbraw/zinc/11/52/59/525115259.db2.gz DORIPQSESDFUCG-MRXNPFEDSA-N 0 0 432.476 3.524 50 0 IHAARN Cc1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccc1N1CCCC1=O ZINC000021598084 525115183 /nfs/dbraw/zinc/11/51/83/525115183.db2.gz CIJHFGVSHSBLOM-UHFFFAOYSA-N 0 0 426.538 3.847 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)n(-c2cc(C)ccc2C)n1 ZINC000012741876 525131671 /nfs/dbraw/zinc/13/16/71/525131671.db2.gz QRPRCFUMZWAXJH-UHFFFAOYSA-N 0 0 433.556 3.923 50 0 IHAARN C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(-n2ccnc2)cc1 ZINC000012560380 525134329 /nfs/dbraw/zinc/13/43/29/525134329.db2.gz DVRGHYOMEBZILO-CQSZACIVSA-N 0 0 442.313 3.826 50 0 IHAARN Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)ccc1Br ZINC000012913270 525137643 /nfs/dbraw/zinc/13/76/43/525137643.db2.gz PGMQFMAWDUXPCN-UHFFFAOYSA-N 0 0 436.394 3.811 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1F ZINC000012553297 525143696 /nfs/dbraw/zinc/14/36/96/525143696.db2.gz SAVOLZKEWIKXFQ-CQSZACIVSA-N 0 0 445.516 3.807 50 0 IHAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661233 525163861 /nfs/dbraw/zinc/16/38/61/525163861.db2.gz DWYFGHPCKFOQLZ-UHFFFAOYSA-N 0 0 445.433 3.769 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc21 ZINC000015599812 525172275 /nfs/dbraw/zinc/17/22/75/525172275.db2.gz BQLNWMSBHRYWKW-LJQANCHMSA-N 0 0 441.578 3.986 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2C(N)=O)c2c[nH]c3ccccc32)cc1 ZINC000012747424 525182180 /nfs/dbraw/zinc/18/21/80/525182180.db2.gz AYDMCYKVFJFOEI-OAQYLSRUSA-N 0 0 443.503 3.603 50 0 IHAARN COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000012762048 525182887 /nfs/dbraw/zinc/18/28/87/525182887.db2.gz YCSAWTBIBHQETI-HXUWFJFHSA-N 0 0 431.492 3.838 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC ZINC000012805601 525184596 /nfs/dbraw/zinc/18/45/96/525184596.db2.gz JFUDUKRDHBTLQT-GOSISDBHSA-N 0 0 439.339 3.814 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)OCCOc3c(Cl)cccc3Cl)ccc21 ZINC000021490092 525185345 /nfs/dbraw/zinc/18/53/45/525185345.db2.gz SFCKGNFYFRFANY-UHFFFAOYSA-N 0 0 430.309 3.551 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000012731225 525219099 /nfs/dbraw/zinc/21/90/99/525219099.db2.gz WFLOSUDEVSEJPI-PXNSSMCTSA-N 0 0 438.549 3.788 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012552041 525220436 /nfs/dbraw/zinc/22/04/36/525220436.db2.gz RKPXEYXNZYNUQF-INIZCTEOSA-N 0 0 438.505 3.750 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035961710 525240227 /nfs/dbraw/zinc/24/02/27/525240227.db2.gz KZSPMESYLAAJIB-NRFANRHFSA-N 0 0 440.519 3.952 50 0 IHAARN CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000035588420 525249190 /nfs/dbraw/zinc/24/91/90/525249190.db2.gz KIFRDWHYLYMZKY-UHFFFAOYSA-N 0 0 432.310 3.685 50 0 IHAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2cc(F)cc(F)c2n1 ZINC000020744988 525252160 /nfs/dbraw/zinc/25/21/60/525252160.db2.gz MLVUXXBAGGIBOH-UHFFFAOYSA-N 0 0 431.464 3.858 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 ZINC000012782714 525282685 /nfs/dbraw/zinc/28/26/85/525282685.db2.gz IUIGUKFIVQFEDY-SJORKVTESA-N 0 0 440.515 3.758 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)ccc2C)cc1 ZINC000012761210 525296592 /nfs/dbraw/zinc/29/65/92/525296592.db2.gz OUTYTCZQUORLJQ-HXUWFJFHSA-N 0 0 441.553 3.730 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1Cl ZINC000020933209 525300119 /nfs/dbraw/zinc/30/01/19/525300119.db2.gz LHBSETMLHMCCGJ-UHFFFAOYSA-N 0 0 441.896 3.640 50 0 IHAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccn(C)n2)n1-c1ccccc1 ZINC000012522586 525316375 /nfs/dbraw/zinc/31/63/75/525316375.db2.gz ZSYCTYMGWONZCG-UHFFFAOYSA-N 0 0 434.525 3.619 50 0 IHAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(-n2nc3ccccc3n2)c1 ZINC000001102598 525395865 /nfs/dbraw/zinc/39/58/65/525395865.db2.gz NCWUWPFUOOWCRT-UHFFFAOYSA-N 0 0 443.507 3.583 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)ccc1F ZINC000021153761 525411367 /nfs/dbraw/zinc/41/13/67/525411367.db2.gz NXUCYBHURCSQPW-HSZRJFAPSA-N 0 0 427.545 3.551 50 0 IHAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)c(OC)c1 ZINC000012758726 525414778 /nfs/dbraw/zinc/41/47/78/525414778.db2.gz YWFAALMMMQLGEO-MRXNPFEDSA-N 0 0 426.332 3.992 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061991 525422144 /nfs/dbraw/zinc/42/21/44/525422144.db2.gz BGNKJGJOVTXKJS-MOPGFXCFSA-N 0 0 430.570 3.783 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CCNC(=O)C(C)(C)C)cc2)cc1C ZINC000012853665 525499443 /nfs/dbraw/zinc/49/94/43/525499443.db2.gz UMWQKBDCHQEUNN-UHFFFAOYSA-N 0 0 446.569 3.586 50 0 IHAARN COc1ccc2c(CCNC(=O)CCN3C(=O)S/C(=C\c4ccco4)C3=O)c[nH]c2c1 ZINC000033542899 525502018 /nfs/dbraw/zinc/50/20/18/525502018.db2.gz VFZCSSSXULBLCH-UNOMPAQXSA-N 0 0 439.493 3.555 50 0 IHAARN Cc1c(-c2ccc(C)cc2)n(-c2ccc(C)c(C)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012461922 525506943 /nfs/dbraw/zinc/50/69/43/525506943.db2.gz WJWIFXWKPOIQCR-UHFFFAOYSA-N 0 0 427.508 3.576 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)C2)s1 ZINC000012858209 525531447 /nfs/dbraw/zinc/53/14/47/525531447.db2.gz HVSHUQRIZMCHFY-TZMCWYRMSA-N 0 0 439.628 3.677 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 ZINC000012809144 525532160 /nfs/dbraw/zinc/53/21/60/525532160.db2.gz HMCOQLWYEFIOIL-OAHLLOKOSA-N 0 0 446.516 3.792 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)c(C)c1 ZINC000035596933 525535083 /nfs/dbraw/zinc/53/50/83/525535083.db2.gz IGHMWARRMNBHJW-SFHVURJKSA-N 0 0 429.517 3.985 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000012824575 525548199 /nfs/dbraw/zinc/54/81/99/525548199.db2.gz WINZUVZULSEIOB-XYOKQWHBSA-N 0 0 442.581 3.965 50 0 IHAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000027400583 525549142 /nfs/dbraw/zinc/54/91/42/525549142.db2.gz OHROTIONZZEGSB-QGZVFWFLSA-N 0 0 426.460 3.961 50 0 IHAARN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N2CCCc3ccccc32)c(C)n1C ZINC000020989921 525572850 /nfs/dbraw/zinc/57/28/50/525572850.db2.gz POJBPIGTZQABRK-UHFFFAOYSA-N 0 0 429.586 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCCOC1CCCCC1 ZINC000024481994 525577362 /nfs/dbraw/zinc/57/73/62/525577362.db2.gz QGONMWOTLGAMHF-UHFFFAOYSA-N 0 0 434.558 3.536 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000012849138 525580965 /nfs/dbraw/zinc/58/09/65/525580965.db2.gz VMSWANPMVRCYEL-GFCCVEGCSA-N 0 0 426.560 3.610 50 0 IHAARN CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nc2ccccc2[nH]1 ZINC000012550167 525596812 /nfs/dbraw/zinc/59/68/12/525596812.db2.gz WSHCXZUSSQRQHF-SFHVURJKSA-N 0 0 431.587 3.649 50 0 IHAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000040130973 525609579 /nfs/dbraw/zinc/60/95/79/525609579.db2.gz LBTRSAHXNLJXJS-UHFFFAOYSA-N 0 0 429.459 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1 ZINC000012237575 525613674 /nfs/dbraw/zinc/61/36/74/525613674.db2.gz ZYYYUJCDMLQIPI-UHFFFAOYSA-N 0 0 442.504 3.963 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(F)cc3)CC1)[nH]c1c2C(=O)CCC1 ZINC000020990278 525615914 /nfs/dbraw/zinc/61/59/14/525615914.db2.gz SNQQLZXPPBWDFE-UHFFFAOYSA-N 0 0 441.528 3.645 50 0 IHAARN Cc1c(C(=O)NCc2ccco2)n(Cc2ccc(F)c(F)c2)c(C)c1N1CCOCC1 ZINC000035837326 525630264 /nfs/dbraw/zinc/63/02/64/525630264.db2.gz OXELPTBCFIPUIW-UHFFFAOYSA-N 0 0 429.467 3.791 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCCN2CCOCC2)cc1 ZINC000012419187 525633606 /nfs/dbraw/zinc/63/36/06/525633606.db2.gz GEVWZLYKTTXMQC-UHFFFAOYSA-N 0 0 441.553 3.535 50 0 IHAARN COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 ZINC000012748356 525639213 /nfs/dbraw/zinc/63/92/13/525639213.db2.gz DLYTZJZWQHZBAE-HFZDXXHNSA-N 0 0 448.519 3.672 50 0 IHAARN Cc1cc2n(n1)c(=O)cc(C)n2C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000012755728 525663309 /nfs/dbraw/zinc/66/33/09/525663309.db2.gz JIPKMXRDNNTQKT-QFIPXVFZSA-N 0 0 431.536 3.879 50 0 IHAARN Cc1cc2nc(COc3cc(NC(=O)COc4cccc(C)c4)ccc3C)cc(=O)n2o1 ZINC000035428419 525672046 /nfs/dbraw/zinc/67/20/46/525672046.db2.gz FISBOIBZEYEQPN-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)cc(=O)n2o1 ZINC000035429609 525675935 /nfs/dbraw/zinc/67/59/35/525675935.db2.gz GILHDFUATGAKGZ-UHFFFAOYSA-N 0 0 432.462 3.523 50 0 IHAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NCCc3ccc(C)cc3)c(=O)c12 ZINC000020947256 525676044 /nfs/dbraw/zinc/67/60/44/525676044.db2.gz YIZJNHDVKZLJRY-UHFFFAOYSA-N 0 0 428.536 3.780 50 0 IHAARN COc1ccc2oc(=O)cc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)c2c1 ZINC000020463673 525684921 /nfs/dbraw/zinc/68/49/21/525684921.db2.gz NKBFROICXVTPBW-UHFFFAOYSA-N 0 0 427.888 3.805 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)no2)c1 ZINC000036002403 525703915 /nfs/dbraw/zinc/70/39/15/525703915.db2.gz ZRZBPAHBOWDBAH-QHCPKHFHSA-N 0 0 447.535 3.950 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000012775690 525717867 /nfs/dbraw/zinc/71/78/67/525717867.db2.gz IMZXCCHHLWZAEM-UHFFFAOYSA-N 0 0 432.480 3.605 50 0 IHAARN Cc1ccnc2nc(C(=O)Nc3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nn21 ZINC000012765605 525720874 /nfs/dbraw/zinc/72/08/74/525720874.db2.gz WJIBRICJRLSQRO-UHFFFAOYSA-N 0 0 434.403 3.631 50 0 IHAARN COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)n2)c1 ZINC000023982617 525738336 /nfs/dbraw/zinc/73/83/36/525738336.db2.gz GLHZTHRXUQUGMN-DEOSSOPVSA-N 0 0 428.448 3.866 50 0 IHAARN COc1cccc(-n2cnnc2SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000021385160 525753878 /nfs/dbraw/zinc/75/38/78/525753878.db2.gz GXPQGIMNWRPBFG-UHFFFAOYSA-N 0 0 434.525 3.809 50 0 IHAARN CSCc1nnc(S[C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000012882271 525766790 /nfs/dbraw/zinc/76/67/90/525766790.db2.gz ZKRXAZLRMBDLLG-JTQLQIEISA-N 0 0 448.492 3.529 50 0 IHAARN COc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)c1 ZINC000012436892 525809398 /nfs/dbraw/zinc/80/93/98/525809398.db2.gz KTDIMRVTHIPIQN-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)[C@@H](c3cccc(OC)c3)C2)c1 ZINC000036045745 525810751 /nfs/dbraw/zinc/81/07/51/525810751.db2.gz QMWWAFQBZMHCRD-RPBOFIJWSA-N 0 0 444.531 3.876 50 0 IHAARN COc1cccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000012881923 525814901 /nfs/dbraw/zinc/81/49/01/525814901.db2.gz SUBZMGZBCOXXQD-UHFFFAOYSA-N 0 0 443.297 3.764 50 0 IHAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc4nsnc42)CC3)cc1 ZINC000021534061 525821763 /nfs/dbraw/zinc/82/17/63/525821763.db2.gz AVZQSBZCFYKXPG-UHFFFAOYSA-N 0 0 428.564 3.870 50 0 IHAARN Cc1ccsc1CCNC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776385 525832369 /nfs/dbraw/zinc/83/23/69/525832369.db2.gz JRRGRBQNIYDXGS-UHFFFAOYSA-N 0 0 438.532 3.537 50 0 IHAARN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(C)c(F)c2)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000021787873 525834064 /nfs/dbraw/zinc/83/40/64/525834064.db2.gz CBCLGVAXBYWUAE-MRXNPFEDSA-N 0 0 448.541 3.989 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)NC3=NN(c4ccccc4)CC3)n2C)c(Cl)c1 ZINC000012447193 525855830 /nfs/dbraw/zinc/85/58/30/525855830.db2.gz UHRGVXHQLKEBCP-UHFFFAOYSA-N 0 0 440.960 3.876 50 0 IHAARN C[C@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000012548683 525858230 /nfs/dbraw/zinc/85/82/30/525858230.db2.gz QIPKUNNSQKRPEX-HNNXBMFYSA-N 0 0 430.551 3.874 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 ZINC000012805094 525891421 /nfs/dbraw/zinc/89/14/21/525891421.db2.gz ITOZWMHTUPXCSA-UCKITQNFSA-N 0 0 438.568 3.789 50 0 IHAARN Cc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(F)c(Cl)c4)nnc3c2=O)cc1C ZINC000021540414 525915399 /nfs/dbraw/zinc/91/53/99/525915399.db2.gz UDKBTUDMLPYSRK-UHFFFAOYSA-N 0 0 439.878 3.861 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000036002006 525934283 /nfs/dbraw/zinc/93/42/83/525934283.db2.gz JHRVUWZPPZOXSH-UHFFFAOYSA-N 0 0 444.514 3.924 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccc2c(c1)OCO2)OC(C)(C)CC3 ZINC000012886967 525963590 /nfs/dbraw/zinc/96/35/90/525963590.db2.gz OTWXGVQJJOHOGS-UHFFFAOYSA-N 0 0 435.476 3.793 50 0 biogenic IHAARN COc1cccc(CNC(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)c1OC ZINC000011966592 525968914 /nfs/dbraw/zinc/96/89/14/525968914.db2.gz STTPSLMPRIZMGZ-HSZRJFAPSA-N 0 0 430.932 3.645 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(-c3cc4ccccc4n3C)o2)c1OC ZINC000021789787 525973981 /nfs/dbraw/zinc/97/39/81/525973981.db2.gz AXPUCXSSPUGNCJ-UHFFFAOYSA-N 0 0 438.509 3.654 50 0 IHAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012523219 525987991 /nfs/dbraw/zinc/98/79/91/525987991.db2.gz YCHNGSKOWZDRNU-INIZCTEOSA-N 0 0 447.988 3.754 50 0 IHAARN CSc1ccc(CNC(=O)c2cc3c(ccn(Cc4cccnc4)c3=O)nc2C)cc1 ZINC000021538627 526000339 /nfs/dbraw/zinc/00/03/39/526000339.db2.gz AVOYRMWFGNUOAH-UHFFFAOYSA-N 0 0 430.533 3.800 50 0 IHAARN C[C@@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NCCC1=CCCCC1 ZINC000024982941 526003041 /nfs/dbraw/zinc/00/30/41/526003041.db2.gz PSBQWPVEPMMZAI-CQSZACIVSA-N 0 0 437.587 3.565 50 0 IHAARN C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012854073 526009910 /nfs/dbraw/zinc/00/99/10/526009910.db2.gz NZJAWPPGGWTMND-AWEZNQCLSA-N 0 0 448.552 3.920 50 0 IHAARN C[C@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NC[C@@H]1CCCO1 ZINC000021727012 526016466 /nfs/dbraw/zinc/01/64/66/526016466.db2.gz ANMOACWKOCKPHO-RDJZCZTQSA-N 0 0 433.537 3.720 50 0 IHAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012915063 526059731 /nfs/dbraw/zinc/05/97/31/526059731.db2.gz VBESFNXKBGPPER-QGZVFWFLSA-N 0 0 444.572 3.935 50 0 IHAARN Cc1cc(-c2nnc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)o2)c(C)o1 ZINC000012554885 526059611 /nfs/dbraw/zinc/05/96/11/526059611.db2.gz CYTPYZXKQHDJFB-UHFFFAOYSA-N 0 0 438.513 3.656 50 0 IHAARN COc1cccc(COc2coc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2=O)c1 ZINC000011963415 526060751 /nfs/dbraw/zinc/06/07/51/526060751.db2.gz UXDPJOGCDNWBCN-UHFFFAOYSA-N 0 0 441.436 3.506 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)NCc4ccc(Br)cc4)c3=O)c2c1 ZINC000035424207 526110508 /nfs/dbraw/zinc/11/05/08/526110508.db2.gz OFSXVACXHUYIJT-UHFFFAOYSA-N 0 0 439.313 3.655 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5ccccc5Cl)CC4)c3=O)c2c1 ZINC000035424245 526111056 /nfs/dbraw/zinc/11/10/56/526111056.db2.gz URURJMLKNRYIHC-UHFFFAOYSA-N 0 0 449.942 3.579 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000012914779 526175704 /nfs/dbraw/zinc/17/57/04/526175704.db2.gz HWTDEEASCBYOCR-KRWDZBQOSA-N 0 0 434.565 3.942 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1Cc1cccs1 ZINC000012695391 526175998 /nfs/dbraw/zinc/17/59/98/526175998.db2.gz TZDXFMYIXAPEJO-LBPRGKRZSA-N 0 0 430.584 3.704 50 0 IHAARN C[C@H]1C(=O)N(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)N1c1ccc(F)cc1 ZINC000012760365 526201316 /nfs/dbraw/zinc/20/13/16/526201316.db2.gz AVVNECKOZDXPRV-HNNXBMFYSA-N 0 0 446.438 3.534 50 0 IHAARN CSc1nc(C(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cs1 ZINC000012157458 526208095 /nfs/dbraw/zinc/20/80/95/526208095.db2.gz LZTPEDFJOLBRSO-UHFFFAOYSA-N 0 0 429.489 3.759 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(C)n2n1 ZINC000012568229 526218027 /nfs/dbraw/zinc/21/80/27/526218027.db2.gz AGBYAILIFHYLQA-UHFFFAOYSA-N 0 0 425.514 3.686 50 0 IHAARN CSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000020597842 526224606 /nfs/dbraw/zinc/22/46/06/526224606.db2.gz ASEYDTJVNSJVHF-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN CSc1nn(CC(=O)Nc2cccc(C)c2C)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000020597843 526226115 /nfs/dbraw/zinc/22/61/15/526226115.db2.gz KTIRMCKWZLMGCV-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN COc1cccc(OC[C@H]2CCCN(C(=O)CN3Cc4cc(C)ccc4O[C@H](C)C3)C2)c1 ZINC000012280976 526235211 /nfs/dbraw/zinc/23/52/11/526235211.db2.gz RWZQDGVQZIPSSQ-RTWAWAEBSA-N 0 0 438.568 3.904 50 0 IHAARN Cc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000012897301 526238370 /nfs/dbraw/zinc/23/83/70/526238370.db2.gz TXHWHXFUQILCRW-QFIPXVFZSA-N 0 0 448.475 3.597 50 0 IHAARN Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)cc(=O)n2c1 ZINC000041086276 526250872 /nfs/dbraw/zinc/25/08/72/526250872.db2.gz VVKRXHKMLZGREH-UHFFFAOYSA-N 0 0 442.501 3.930 50 0 IHAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O ZINC000012554055 526263607 /nfs/dbraw/zinc/26/36/07/526263607.db2.gz NYPPYNZVHBINSM-GKVSMKOHSA-N 0 0 449.555 3.664 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000012774238 526305564 /nfs/dbraw/zinc/30/55/64/526305564.db2.gz CCKOIRAPMLIAOU-QGZVFWFLSA-N 0 0 438.553 3.846 50 0 IHAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(CCO)CC2)c1-c1ccc(Cl)cc1 ZINC000020502399 526309639 /nfs/dbraw/zinc/30/96/39/526309639.db2.gz DBIVYKQCAXAITE-UHFFFAOYSA-N 0 0 427.980 3.770 50 0 IHAARN O=C(NCCN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ccsc1 ZINC000042383018 526311885 /nfs/dbraw/zinc/31/18/85/526311885.db2.gz RYYYDYIATQPXRF-UHFFFAOYSA-N 0 0 447.560 3.560 50 0 IHAARN O=C(CCC1=NNC(=O)CC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(F)ccc1F ZINC000012433125 526394154 /nfs/dbraw/zinc/39/41/54/526394154.db2.gz PMUAMBHDMVDKLB-XMMPIXPASA-N 0 0 436.462 3.966 50 0 IHAARN O=C(CCC1CCCCC1)N1CCC2(C[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000012150459 526405191 /nfs/dbraw/zinc/40/51/91/526405191.db2.gz NIKQXZNBXXCYHU-QFIPXVFZSA-N 0 0 438.616 3.719 50 0 IHAARN O=C(CCC1CCN(C(=O)CCN2CCCCO2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012597353 526408918 /nfs/dbraw/zinc/40/89/18/526408918.db2.gz JXTICSSKERIWST-UHFFFAOYSA-N 0 0 425.932 3.854 50 0 IHAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(-n2cnnn2)cc1 ZINC000021228868 526425016 /nfs/dbraw/zinc/42/50/16/526425016.db2.gz WIITUHBJCXBJTJ-HSZRJFAPSA-N 0 0 432.411 3.766 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)cc(=O)n12 ZINC000021632967 526454915 /nfs/dbraw/zinc/45/49/15/526454915.db2.gz KPEBUHOXRIUUSB-UHFFFAOYSA-N 0 0 437.452 3.813 50 0 IHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000020239440 526461032 /nfs/dbraw/zinc/46/10/32/526461032.db2.gz WEMZXNCYFWXFOM-CMDGGOBGSA-N 0 0 449.598 3.674 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)Nc1cccc(Cl)c1 ZINC000021040225 526468101 /nfs/dbraw/zinc/46/81/01/526468101.db2.gz RIDSMHYZLSKLAW-UHFFFAOYSA-N 0 0 425.851 3.634 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 ZINC000022908096 526493588 /nfs/dbraw/zinc/49/35/88/526493588.db2.gz HKYUYCWHZQAKRW-NRFANRHFSA-N 0 0 425.598 3.803 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000012923397 526494763 /nfs/dbraw/zinc/49/47/63/526494763.db2.gz HRLLLSUXWWLRQR-KRWDZBQOSA-N 0 0 434.359 3.795 50 0 IHAARN Cc1noc(C)c1CCNC(=O)c1cccc(NC(=O)c2nnc(CC(C)C)s2)c1 ZINC000033022902 526495827 /nfs/dbraw/zinc/49/58/27/526495827.db2.gz IEHDRQXTDNJVAQ-UHFFFAOYSA-N 0 0 427.530 3.566 50 0 IHAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1 ZINC000023100545 526522083 /nfs/dbraw/zinc/52/20/83/526522083.db2.gz OOEARUNWGUWJEL-UHFFFAOYSA-N 0 0 425.529 3.735 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1)NCc1ccccc1Cl ZINC000012433661 526569056 /nfs/dbraw/zinc/56/90/56/526569056.db2.gz WPLMFKFILGKYTG-OAHLLOKOSA-N 0 0 430.961 3.998 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC2(C[C@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000011967860 526598336 /nfs/dbraw/zinc/59/83/36/526598336.db2.gz CXLLDBZOOAZJPZ-QFIPXVFZSA-N 0 0 446.547 3.562 50 0 IHAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCN1CCOCC1 ZINC000020515620 526636154 /nfs/dbraw/zinc/63/61/54/526636154.db2.gz UVWANUITAUWJOX-UHFFFAOYSA-N 0 0 425.960 3.724 50 0 IHAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c12 ZINC000012852953 526678161 /nfs/dbraw/zinc/67/81/61/526678161.db2.gz ATOBGQIQYINWON-UHFFFAOYSA-N 0 0 442.522 3.762 50 0 IHAARN O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1ccccc1Cl ZINC000020574692 526684461 /nfs/dbraw/zinc/68/44/61/526684461.db2.gz ZHTKTHZBWZSVQK-UHFFFAOYSA-N 0 0 426.835 3.551 50 0 IHAARN O=C(CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)NC(=O)NC1CCCC1 ZINC000012751347 526685701 /nfs/dbraw/zinc/68/57/01/526685701.db2.gz VPPAHLANENCVDO-UHFFFAOYSA-N 0 0 444.944 3.937 50 0 IHAARN O=C(CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1)NCc1ccncc1 ZINC000035989576 526698806 /nfs/dbraw/zinc/69/88/06/526698806.db2.gz YHLSQEAJWLDEOZ-UHFFFAOYSA-N 0 0 426.476 3.695 50 0 IHAARN O=C(CN1C(=O)C[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O)NCc1ccccc1F ZINC000012727764 526711111 /nfs/dbraw/zinc/71/11/11/526711111.db2.gz FMCRQVRNNIRHOU-QFIPXVFZSA-N 0 0 447.466 3.917 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035457971 526737267 /nfs/dbraw/zinc/73/72/67/526737267.db2.gz XFJXIAZLJWGFST-XMMPIXPASA-N 0 0 439.515 3.768 50 0 IHAARN O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)NCc2ccccc2Cl)c1=O ZINC000012455145 526739344 /nfs/dbraw/zinc/73/93/44/526739344.db2.gz UXBVQLPAWQVUKK-UHFFFAOYSA-N 0 0 435.911 3.697 50 0 IHAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1OC(F)(F)F ZINC000012819830 526758044 /nfs/dbraw/zinc/75/80/44/526758044.db2.gz FSVCYPQVCQISFF-KRWDZBQOSA-N 0 0 436.430 3.810 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000012754259 526759757 /nfs/dbraw/zinc/75/97/57/526759757.db2.gz LKNCOOLRBGDIFJ-UHFFFAOYSA-N 0 0 426.460 3.810 50 0 IHAARN O=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000012920522 526761746 /nfs/dbraw/zinc/76/17/46/526761746.db2.gz KKYLZONVOCZRTN-UHFFFAOYSA-N 0 0 437.437 3.560 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000012737859 526766503 /nfs/dbraw/zinc/76/65/03/526766503.db2.gz WOZDMQZFWXJBHQ-NRFANRHFSA-N 0 0 447.560 3.918 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000022384146 526789123 /nfs/dbraw/zinc/78/91/23/526789123.db2.gz SACRLNGYVSTDOU-UHFFFAOYSA-N 0 0 443.503 3.834 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000042382475 526800840 /nfs/dbraw/zinc/80/08/40/526800840.db2.gz MHLPWUCOKUFLRA-DLBZAZTESA-N 0 0 446.425 3.522 50 0 IHAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O)Nc1ccccc1F ZINC000020573863 526828266 /nfs/dbraw/zinc/82/82/66/526828266.db2.gz VNPVGDGTQDHVBV-XMMPIXPASA-N 0 0 447.491 3.744 50 0 IHAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)NCCc1ccc(Cl)cc1Cl ZINC000020744858 526837761 /nfs/dbraw/zinc/83/77/61/526837761.db2.gz DAEBRTPQIADPKF-UHFFFAOYSA-N 0 0 445.350 3.901 50 0 biogenic IHAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000035539436 526865008 /nfs/dbraw/zinc/86/50/08/526865008.db2.gz XGPFAQIGIMYULJ-UHFFFAOYSA-N 0 0 448.545 3.634 50 0 IHAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000012590482 526865111 /nfs/dbraw/zinc/86/51/11/526865111.db2.gz LQDAJCNQEMJNKK-HSZRJFAPSA-N 0 0 438.959 3.826 50 0 IHAARN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000042380109 526888339 /nfs/dbraw/zinc/88/83/39/526888339.db2.gz JVKRRHWKOBXGNT-HNNXBMFYSA-N 0 0 434.500 3.945 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2)cs1 ZINC000012894974 526909967 /nfs/dbraw/zinc/90/99/67/526909967.db2.gz BJUREDDNIBUBHE-AWEZNQCLSA-N 0 0 430.551 3.925 50 0 IHAARN O=C(c1nc(-c2ccc3cc[nH]c3c2)no1)N1CCN(c2nsc3ccccc32)CC1 ZINC000012389647 526914309 /nfs/dbraw/zinc/91/43/09/526914309.db2.gz WFCVBKDGPGPBHN-UHFFFAOYSA-N 0 0 430.493 3.790 50 0 IHAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000012823758 526942780 /nfs/dbraw/zinc/94/27/80/526942780.db2.gz MVETZDYAXTVSAS-JOCHJYFZSA-N 0 0 425.488 3.614 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000017169779 526953303 /nfs/dbraw/zinc/95/33/03/526953303.db2.gz PFAOODVUONXDCT-INIZCTEOSA-N 0 0 425.915 3.705 50 0 IHAARN O=C(COc1ccc(F)cc1F)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012818305 526963732 /nfs/dbraw/zinc/96/37/32/526963732.db2.gz KVHXYCSOGBUMTJ-UHFFFAOYSA-N 0 0 444.887 3.810 50 0 IHAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000012766161 526971541 /nfs/dbraw/zinc/97/15/41/526971541.db2.gz NONDGJURIMNYAU-UHFFFAOYSA-N 0 0 444.386 3.688 50 0 IHAARN Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000012225091 527008970 /nfs/dbraw/zinc/00/89/70/527008970.db2.gz CUWFYJFIEKPSDR-UHFFFAOYSA-N 0 0 444.944 3.742 50 0 IHAARN O=C(CSc1ncn(-c2ccccc2)n1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000022286638 527072598 /nfs/dbraw/zinc/07/25/98/527072598.db2.gz YONYXCOLVYMOMU-MRXNPFEDSA-N 0 0 447.442 3.666 50 0 IHAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 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O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000033282247 527229166 /nfs/dbraw/zinc/22/91/66/527229166.db2.gz BLDJCGVUDXSPEH-OAQYLSRUSA-N 0 0 437.540 3.842 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000035511831 527229449 /nfs/dbraw/zinc/22/94/49/527229449.db2.gz ZCMLOMVWAPUEOJ-UHFFFAOYSA-N 0 0 429.524 3.833 50 0 IHAARN O=C(Cc1ccc2c(c1)OCO2)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095367778 527252761 /nfs/dbraw/zinc/25/27/61/527252761.db2.gz RNBMFODVPQTCJU-UHFFFAOYSA-N 0 0 441.837 3.764 50 0 IHAARN O=C(Cc1ccc2ccccc2c1)N1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1 ZINC000012149370 527254129 /nfs/dbraw/zinc/25/41/29/527254129.db2.gz CGPFWTKZZOPAHQ-DEOSSOPVSA-N 0 0 427.548 3.765 50 0 IHAARN O=C(Cc1cccc(F)c1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000035527016 527261256 /nfs/dbraw/zinc/26/12/56/527261256.db2.gz MFYYMJBOWBXARN-UHFFFAOYSA-N 0 0 444.304 3.597 50 0 IHAARN O=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CCN(c2ccccc2)CC1 ZINC000035557426 527265784 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O=C(Nc1nnc(SCc2ccccc2F)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000012140412 527535666 /nfs/dbraw/zinc/53/56/66/527535666.db2.gz UTIKVTSBWUDCMN-AWEZNQCLSA-N 0 0 428.514 3.961 50 0 IHAARN Cn1nc(COCc2ccc(Cl)cc2)c2c1CCN(C(=O)COc1ccccc1)C2 ZINC000033282676 527555804 /nfs/dbraw/zinc/55/58/04/527555804.db2.gz XIRJGIKEBIATJS-UHFFFAOYSA-N 0 0 425.916 3.754 50 0 IHAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000036019685 527565244 /nfs/dbraw/zinc/56/52/44/527565244.db2.gz HSHWPTCKKKRSSI-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCCN(C(=O)C(C)C)CC3)c12 ZINC000036000401 527565978 /nfs/dbraw/zinc/56/59/78/527565978.db2.gz WCEXLMWGMXGONZ-UHFFFAOYSA-N 0 0 426.952 3.780 50 0 IHAARN O=C(/C=C/c1cccs1)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000012156508 527641915 /nfs/dbraw/zinc/64/19/15/527641915.db2.gz MPVBQOJDAWBQFI-DOJUMQAQSA-N 0 0 440.594 3.989 50 0 IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(C)cc1 ZINC000021882003 527655743 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NKWCZOAOLLQLPN-QZTJIDSGSA-N 0 0 442.581 3.955 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000009847290 537065474 /nfs/dbraw/zinc/06/54/74/537065474.db2.gz IBNDCOBMEFYGJV-UHFFFAOYSA-N 0 0 449.580 3.594 50 0 IHAARN COc1cccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)c1 ZINC000009056308 537069941 /nfs/dbraw/zinc/06/99/41/537069941.db2.gz PUIHHEJUNHPEPO-OAQYLSRUSA-N 0 0 427.464 3.516 50 0 IHAARN Cn1c2nc(SCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000634907 555516758 /nfs/dbraw/zinc/51/67/58/555516758.db2.gz QBGQEIWVXPYYQC-UHFFFAOYSA-N 0 0 444.919 3.567 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)c(C)c1 ZINC000000640147 555518018 /nfs/dbraw/zinc/51/80/18/555518018.db2.gz LMFONLLBTLIGAA-UHFFFAOYSA-N 0 0 440.565 3.755 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000642105 555518720 /nfs/dbraw/zinc/51/87/20/555518720.db2.gz GQDDSCSRELCBIV-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN CCOC(=O)C1=NN(c2ccccc2C)C2=NC(C)=C(C(=O)OC)[C@H](c3cccs3)N12 ZINC000000642639 555519049 /nfs/dbraw/zinc/51/90/49/555519049.db2.gz HBZUTJWBBWXFBB-SFHVURJKSA-N 0 0 438.509 3.613 50 0 IHAARN O=C(Nc1ccc(O)cc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000645354 555520224 /nfs/dbraw/zinc/52/02/24/555520224.db2.gz AAXSNYMPPFZKRO-UHFFFAOYSA-N 0 0 436.533 3.753 50 0 IHAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)n1 ZINC000000650813 555522716 /nfs/dbraw/zinc/52/27/16/555522716.db2.gz VBHWETBXTCPGEC-UHFFFAOYSA-N 0 0 434.978 3.898 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000000653043 555523769 /nfs/dbraw/zinc/52/37/69/555523769.db2.gz NTFRFTCORCOJPW-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1 ZINC000000668850 555529866 /nfs/dbraw/zinc/52/98/66/555529866.db2.gz ZDOWNBOODFBWDA-SNVBAGLBSA-N 0 0 426.252 3.973 50 0 IHAARN Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000670063 555530414 /nfs/dbraw/zinc/53/04/14/555530414.db2.gz KKRMLYLCRBDMJR-QFIPXVFZSA-N 0 0 427.456 3.628 50 0 IHAARN COc1ccc(/C=C/C(=O)NC2CCC(NC(=O)/C=C/c3ccc(OC)cc3)CC2)cc1 ZINC000000671697 555531583 /nfs/dbraw/zinc/53/15/83/555531583.db2.gz MZBNDXPBROLXNA-ZEELXFFVSA-N 0 0 434.536 3.974 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)o1 ZINC000000677152 555535508 /nfs/dbraw/zinc/53/55/08/555535508.db2.gz WZVBUOWIVJEJSB-UHFFFAOYSA-N 0 0 449.326 3.815 50 0 IHAARN O=C(Cc1ccc(F)cc1)Oc1ccc(Br)cc1C(=S)N1CCOCC1 ZINC000000686351 555539823 /nfs/dbraw/zinc/53/98/23/555539823.db2.gz PMHXSOWZYUWEMW-UHFFFAOYSA-N 0 0 438.318 3.744 50 0 IHAARN COc1cccc([C@@H]2c3cc(OC)c(OC)c(OC)c3CCN2C(=O)C(F)(F)F)c1 ZINC000000692266 555541890 /nfs/dbraw/zinc/54/18/90/555541890.db2.gz NPOCMNYZPUXYBS-QGZVFWFLSA-N 0 0 425.403 3.757 50 0 IHAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1ccc(Br)o1 ZINC000000692958 555542392 /nfs/dbraw/zinc/54/23/92/555542392.db2.gz VIEAQDZDAXVVRY-UHFFFAOYSA-N 0 0 427.210 3.970 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000000778467 555554534 /nfs/dbraw/zinc/55/45/34/555554534.db2.gz JQIBQSKQOJZYQW-UHFFFAOYSA-N 0 0 448.508 3.671 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000000782958 555555469 /nfs/dbraw/zinc/55/54/69/555555469.db2.gz CLXULWOQDCZHHV-UHFFFAOYSA-N 0 0 434.561 3.660 50 0 IHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1OC ZINC000000791367 555557056 /nfs/dbraw/zinc/55/70/56/555557056.db2.gz ZLLMJRVPQVSRGN-NRFANRHFSA-N 0 0 435.484 3.622 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1Cl ZINC000000797739 555558597 /nfs/dbraw/zinc/55/85/97/555558597.db2.gz UGGJSAKECRFASP-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN COc1ccc(Cc2nnc(NC(=O)c3cccc(NC(=O)C(C)C)c3)s2)cc1OC ZINC000000804721 555559562 /nfs/dbraw/zinc/55/95/62/555559562.db2.gz HBMLPHVPNVEHGA-UHFFFAOYSA-N 0 0 440.525 3.993 50 0 IHAARN CSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000000822521 555564239 /nfs/dbraw/zinc/56/42/39/555564239.db2.gz AIGZTBAEIUTKPW-SFHVURJKSA-N 0 0 442.298 3.632 50 0 biogenic IHAARN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 ZINC000000827192 555565395 /nfs/dbraw/zinc/56/53/95/555565395.db2.gz JRUHLKZPWANPNB-AWEZNQCLSA-N 0 0 434.277 3.900 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000842979 555568433 /nfs/dbraw/zinc/56/84/33/555568433.db2.gz YUISNFSTORDUFD-UHFFFAOYSA-N 0 0 440.521 3.533 50 0 IHAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Br)c2)cc1 ZINC000000844490 555568977 /nfs/dbraw/zinc/56/89/77/555568977.db2.gz RFFJGOJEJUPZMQ-GOSISDBHSA-N 0 0 431.286 3.829 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3n2)cc1 ZINC000000845030 555568981 /nfs/dbraw/zinc/56/89/81/555568981.db2.gz FRJOPDNHMIBQBN-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000857964 555571716 /nfs/dbraw/zinc/57/17/16/555571716.db2.gz KPEFNALRHDDADY-UHFFFAOYSA-N 0 0 446.569 3.656 50 0 IHAARN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000000881891 555577778 /nfs/dbraw/zinc/57/77/78/555577778.db2.gz HSQGPQCOMJAAMU-UHFFFAOYSA-N 0 0 425.304 3.602 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccncc3)n2)cc1 ZINC000000890763 555579793 /nfs/dbraw/zinc/57/97/93/555579793.db2.gz IRXVQAVRHSXENX-UHFFFAOYSA-N 0 0 434.443 3.975 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000892792 555579987 /nfs/dbraw/zinc/57/99/87/555579987.db2.gz OIPKGCISCIBPRZ-UHFFFAOYSA-N 0 0 431.517 3.522 50 0 IHAARN O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1 ZINC000000894797 555580327 /nfs/dbraw/zinc/58/03/27/555580327.db2.gz BEYNZSTVGBTYSO-XMMPIXPASA-N 0 0 441.531 3.902 50 0 IHAARN COc1ccc(CCNC(=O)CSc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000000908887 555582288 /nfs/dbraw/zinc/58/22/88/555582288.db2.gz QARGGQFJUHGBIU-UHFFFAOYSA-N 0 0 428.583 3.612 50 0 IHAARN CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1 ZINC000000937620 555586172 /nfs/dbraw/zinc/58/61/72/555586172.db2.gz FOSWLYQSFTWGLY-UHFFFAOYSA-N 0 0 432.571 3.549 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)Nc3ccc(C)cc3)c(=O)c12 ZINC000000955598 555590312 /nfs/dbraw/zinc/59/03/12/555590312.db2.gz VZOIFSHVAIVKFP-UHFFFAOYSA-N 0 0 432.505 3.966 50 0 IHAARN COC(=O)c1ccc(C2C(C(=O)OC)=CN([C@@H](C)c3ccccc3)C=C2C(=O)OC)cc1 ZINC000000969434 555591187 /nfs/dbraw/zinc/59/11/87/555591187.db2.gz PJQARWAZADXDGD-INIZCTEOSA-N 0 0 435.476 3.747 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000000970025 555591215 /nfs/dbraw/zinc/59/12/15/555591215.db2.gz HZTUXAWNRIIQFS-CYBMUJFWSA-N 0 0 438.347 3.660 50 0 IHAARN COc1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000000972028 555591772 /nfs/dbraw/zinc/59/17/72/555591772.db2.gz AQNOUSDPKQDHHE-UHFFFAOYSA-N 0 0 426.494 3.892 50 0 IHAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000000977651 555592624 /nfs/dbraw/zinc/59/26/24/555592624.db2.gz OEFGIEOFKWFDLI-UHFFFAOYSA-N 0 0 431.521 3.793 50 0 IHAARN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000000982600 555593688 /nfs/dbraw/zinc/59/36/88/555593688.db2.gz KIHPFARTOSPQFQ-UHFFFAOYSA-N 0 0 432.542 3.714 50 0 IHAARN O=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000000981367 555593730 /nfs/dbraw/zinc/59/37/30/555593730.db2.gz IGMQKFDJPDYWCY-UHFFFAOYSA-N 0 0 440.306 3.844 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000000986101 555594779 /nfs/dbraw/zinc/59/47/79/555594779.db2.gz DYMVDHLVWHNHHJ-INIZCTEOSA-N 0 0 444.578 3.869 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000997074 555598991 /nfs/dbraw/zinc/59/89/91/555598991.db2.gz HDDFQPDVCNWWCB-UHFFFAOYSA-N 0 0 448.541 3.985 50 0 IHAARN COc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1I ZINC000001003892 555600718 /nfs/dbraw/zinc/60/07/18/555600718.db2.gz JZXYFOSGTPKYME-UHFFFAOYSA-N 0 0 432.327 3.579 50 0 IHAARN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000001008680 555601317 /nfs/dbraw/zinc/60/13/17/555601317.db2.gz KAKZAUGGJNTEAE-DJKKODMXSA-N 0 0 435.461 3.880 50 0 IHAARN O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000001019920 555603454 /nfs/dbraw/zinc/60/34/54/555603454.db2.gz GGYOGWRQNSLJHA-HOTGVXAUSA-N 0 0 441.734 3.715 50 0 IHAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000001020435 555603638 /nfs/dbraw/zinc/60/36/38/555603638.db2.gz PVCKEFCVRDEMNU-SFHVURJKSA-N 0 0 435.461 3.807 50 0 IHAARN O=C(CSc1nnc(OC(=O)c2cccs2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000001034100 555607397 /nfs/dbraw/zinc/60/73/97/555607397.db2.gz PFBXBICYTCNNAN-UHFFFAOYSA-N 0 0 443.506 3.640 50 0 IHAARN Cc1ccc(Cn2c(Oc3ccc(Cl)cc3Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000001035308 555607872 /nfs/dbraw/zinc/60/78/72/555607872.db2.gz PQZMAYJSZGESKQ-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 IHAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001036172 555608096 /nfs/dbraw/zinc/60/80/96/555608096.db2.gz DGZFCVDASPJGER-UHFFFAOYSA-N 0 0 429.267 3.973 50 0 IHAARN Cc1c(-c2ccccc2)c(=O)n(C)c2c1c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1 ZINC000001036857 555608449 /nfs/dbraw/zinc/60/84/49/555608449.db2.gz JUCWJXHVDRKDCT-UHFFFAOYSA-N 0 0 435.483 3.816 50 0 IHAARN CCOC(=O)Cn1c(=O)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn(C(C)C)c1=O ZINC000001039354 555609382 /nfs/dbraw/zinc/60/93/82/555609382.db2.gz LKLPKBQOJVXNOY-UHFFFAOYSA-N 0 0 433.917 3.598 50 0 IHAARN O=C(OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 ZINC000001046887 555611270 /nfs/dbraw/zinc/61/12/70/555611270.db2.gz NBPPDLIWBSCTMP-UHFFFAOYSA-N 0 0 427.322 3.750 50 0 IHAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1Cl ZINC000001057022 555614825 /nfs/dbraw/zinc/61/48/25/555614825.db2.gz AEFQGWSRCQMLON-UHFFFAOYSA-N 0 0 447.923 3.828 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(F)c2)cc1I ZINC000001062420 555616637 /nfs/dbraw/zinc/61/66/37/555616637.db2.gz ZGQGNRVMZKLEQX-UHFFFAOYSA-N 0 0 444.269 3.874 50 0 IHAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000001069469 555620287 /nfs/dbraw/zinc/62/02/87/555620287.db2.gz ZNFKFIQIBXWFOO-KBXCAEBGSA-N 0 0 445.401 3.597 50 0 IHAARN CCOC(=O)C1=C(CSc2ccccc2C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001069332 555620306 /nfs/dbraw/zinc/62/03/06/555620306.db2.gz VROAMSDLTHHURY-HXUWFJFHSA-N 0 0 426.494 3.687 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=S)N2C(C)C)cc1 ZINC000001071029 555621107 /nfs/dbraw/zinc/62/11/07/555621107.db2.gz JZJXRVLRUMRWKF-HXUWFJFHSA-N 0 0 443.544 3.959 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000001072693 555621934 /nfs/dbraw/zinc/62/19/34/555621934.db2.gz WTYSRXVSTKGGCC-UHFFFAOYSA-N 0 0 427.493 3.708 50 0 IHAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1C ZINC000001077500 555625016 /nfs/dbraw/zinc/62/50/16/555625016.db2.gz KXXLKJFDSXTIRU-CQSZACIVSA-N 0 0 425.348 3.859 50 0 IHAARN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000001100386 555628750 /nfs/dbraw/zinc/62/87/50/555628750.db2.gz HPQBSIGGILODDH-UHFFFAOYSA-N 0 0 426.494 3.527 50 0 IHAARN COC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(C(=O)OC)c1C ZINC000001113024 555632982 /nfs/dbraw/zinc/63/29/82/555632982.db2.gz QEGKEFIWLNLHHG-NSHDSACASA-N 0 0 425.890 3.998 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 ZINC000001115277 555633953 /nfs/dbraw/zinc/63/39/53/555633953.db2.gz YSZPPWYXFGRYDQ-UHFFFAOYSA-N 0 0 443.550 3.856 50 0 IHAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2oc1=O ZINC000001131902 555645103 /nfs/dbraw/zinc/64/51/03/555645103.db2.gz JSUVIFIFPGDATM-UHFFFAOYSA-N 0 0 429.513 3.543 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(I)cc2)NC(=O)N1 ZINC000001132315 555645106 /nfs/dbraw/zinc/64/51/06/555645106.db2.gz RGCHYOBVMJTHAL-MRXNPFEDSA-N 0 0 433.249 3.558 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001143696 555651767 /nfs/dbraw/zinc/65/17/67/555651767.db2.gz FIIKEQAMHBJJJO-UHFFFAOYSA-N 0 0 438.505 3.859 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(C)cc2)n1C ZINC000001145725 555653306 /nfs/dbraw/zinc/65/33/06/555653306.db2.gz YZNHBZMDBXMYDA-MRXNPFEDSA-N 0 0 437.569 3.908 50 0 IHAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000001156482 555658957 /nfs/dbraw/zinc/65/89/57/555658957.db2.gz IXKDZPGIUCCMFJ-UHFFFAOYSA-N 0 0 437.359 3.797 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000001156774 555659278 /nfs/dbraw/zinc/65/92/78/555659278.db2.gz KDCAWPHRGXWFGT-UHFFFAOYSA-N 0 0 429.923 3.680 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001171227 555666743 /nfs/dbraw/zinc/66/67/43/555666743.db2.gz JYNPYZTYMKIXOX-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN COc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001171543 555667009 /nfs/dbraw/zinc/66/70/09/555667009.db2.gz KLQQKSPZOMDOKP-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000001172562 555667919 /nfs/dbraw/zinc/66/79/19/555667919.db2.gz KQPIGSNOPGVTQW-UHFFFAOYSA-N 0 0 434.989 3.896 50 0 IHAARN COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2C1=O ZINC000001178870 555670801 /nfs/dbraw/zinc/67/08/01/555670801.db2.gz HJFQTWVAUDIKFP-HNNXBMFYSA-N 0 0 429.428 3.924 50 0 IHAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(I)c1OC ZINC000001193464 555676115 /nfs/dbraw/zinc/67/61/15/555676115.db2.gz OAZCWAYUIWHZBN-XFFZJAGNSA-N 0 0 441.246 3.714 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccccc2)ccc1Br ZINC000001230412 555686564 /nfs/dbraw/zinc/68/65/64/555686564.db2.gz CCBMFVKTQLGYHL-UHFFFAOYSA-N 0 0 426.332 3.837 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C2CC2)cc1 ZINC000001441720 555697985 /nfs/dbraw/zinc/69/79/85/555697985.db2.gz SCFNNXPFZQUSCI-FQEVSTJZSA-N 0 0 439.537 3.587 50 0 IHAARN O=C(Nc1ccc(F)cc1)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000001442476 555698109 /nfs/dbraw/zinc/69/81/09/555698109.db2.gz HCMGRINMJOJQMR-IBGZPJMESA-N 0 0 425.391 3.924 50 0 IHAARN COc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000001462248 555700811 /nfs/dbraw/zinc/70/08/11/555700811.db2.gz UPTKTRUCQNJEQM-DLBZAZTESA-N 0 0 427.309 3.614 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001467789 555701080 /nfs/dbraw/zinc/70/10/80/555701080.db2.gz BOROGNYBUZNKBE-MRXNPFEDSA-N 0 0 443.750 3.894 50 0 IHAARN Cc1ccnc(Sc2ccc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)n1 ZINC000001501396 555702158 /nfs/dbraw/zinc/70/21/58/555702158.db2.gz ZPSFLEVLWPWRQZ-UHFFFAOYSA-N 0 0 425.491 3.843 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2cnc3sc(C(=O)OCC)c(C)c3c2=O)cc1 ZINC000001911916 555724420 /nfs/dbraw/zinc/72/44/20/555724420.db2.gz IOMIHRRMHJTJHX-UHFFFAOYSA-N 0 0 427.526 3.924 50 0 IHAARN COC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccc(C)cc2)=N1 ZINC000002050279 555728737 /nfs/dbraw/zinc/72/87/37/555728737.db2.gz WMPXXMMZAPRUOR-INIZCTEOSA-N 0 0 428.208 3.693 50 0 IHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000002078724 555736349 /nfs/dbraw/zinc/73/63/49/555736349.db2.gz XFLPUEWPKJQLLV-STQMWFEESA-N 0 0 441.347 3.961 50 0 IHAARN CCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000002093732 555741786 /nfs/dbraw/zinc/74/17/86/555741786.db2.gz DLDZYYCLYLMTKQ-UHFFFAOYSA-N 0 0 425.348 3.561 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C ZINC000002132514 555746509 /nfs/dbraw/zinc/74/65/09/555746509.db2.gz UPEZWASIMKESDR-OAHLLOKOSA-N 0 0 439.339 3.689 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 ZINC000002136501 555747317 /nfs/dbraw/zinc/74/73/17/555747317.db2.gz NZWOAQFEJQOJST-UHFFFAOYSA-N 0 0 435.571 3.745 50 0 IHAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 ZINC000002213229 555758676 /nfs/dbraw/zinc/75/86/76/555758676.db2.gz GALULFHUQXPYFW-OAHLLOKOSA-N 0 0 437.290 3.592 50 0 IHAARN COc1cccc(OC)c1-c1nn2c(nnc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000002403920 555776199 /nfs/dbraw/zinc/77/61/99/555776199.db2.gz KOQXUEHVJYKWAC-UHFFFAOYSA-N 0 0 428.470 3.563 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1ccccc1F ZINC000002646024 555791024 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CCCCOC(=O)c1ccc(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 ZINC000002951955 555866068 /nfs/dbraw/zinc/86/60/68/555866068.db2.gz XLJJRNYNLRQETM-CQSZACIVSA-N 0 0 440.780 3.762 50 0 IHAARN Cc1ccc(SCCNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000002984150 555873756 /nfs/dbraw/zinc/87/37/56/555873756.db2.gz VVHADBJCAXBZLR-UHFFFAOYSA-N 0 0 428.579 3.823 50 0 IHAARN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000002996616 555876358 /nfs/dbraw/zinc/87/63/58/555876358.db2.gz VHODGYCHOCAESL-UHFFFAOYSA-N 0 0 434.539 3.845 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 ZINC000002998400 555876939 /nfs/dbraw/zinc/87/69/39/555876939.db2.gz HKZYGOUXXUDSSH-UHFFFAOYSA-N 0 0 426.494 3.822 50 0 IHAARN CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000003200517 555897515 /nfs/dbraw/zinc/89/75/15/555897515.db2.gz COYROSMGQLLBFK-UHFFFAOYSA-N 0 0 446.496 3.723 50 0 IHAARN Cc1cccc(CC(=O)N2CCc3n[nH]c(C(=O)N[C@@H]4CCCc5ccccc54)c3C2)c1 ZINC000034797173 555918371 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/nfs/dbraw/zinc/15/73/50/556157350.db2.gz QPDCRKSOQNILJF-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCC ZINC000008385978 556161816 /nfs/dbraw/zinc/16/18/16/556161816.db2.gz WTBSSHOJTDQDMH-UHFFFAOYSA-N 0 0 446.525 3.796 50 0 IHAARN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000008386083 556161917 /nfs/dbraw/zinc/16/19/17/556161917.db2.gz XTIFCIAIEQQTGH-UHFFFAOYSA-N 0 0 441.365 3.953 50 0 IHAARN CCOC(=O)CCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC(=O)OCC)cc2)cc1 ZINC000008399567 556165328 /nfs/dbraw/zinc/16/53/28/556165328.db2.gz AHILNJUZAJSMGG-UHFFFAOYSA-N 0 0 440.496 3.917 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccc4cccc(c43)C2=O)sc2c1CCC2 ZINC000008431358 556171057 /nfs/dbraw/zinc/17/10/57/556171057.db2.gz ZDPUYIKKVQHICR-UHFFFAOYSA-N 0 0 448.500 3.801 50 0 IHAARN Cc1ccc(N2C(=O)C3=C(C)C[C@H]([C@@H]4CC(=O)N(c5ccc(C)cc5)C4=O)C[C@H]3C2=O)cc1 ZINC000008435339 556173026 /nfs/dbraw/zinc/17/30/26/556173026.db2.gz CPQIYYIWZOCUGT-YZZIRNTPSA-N 0 0 442.515 3.955 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000008438198 556174336 /nfs/dbraw/zinc/17/43/36/556174336.db2.gz HVEQGEVUEYDDQG-KRWDZBQOSA-N 0 0 437.569 3.962 50 0 IHAARN Cc1cccc(NC(=O)CN2c3ccccc3[C@]3(SCC(=O)N3c3ccccc3)C2=O)c1 ZINC000008595038 556190306 /nfs/dbraw/zinc/19/03/06/556190306.db2.gz OQQJFIDJHIBHMK-VWLOTQADSA-N 0 0 443.528 3.913 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2cccnc21 ZINC000008604884 556191664 /nfs/dbraw/zinc/19/16/64/556191664.db2.gz XXONULHXGDEZMB-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000008715406 556201738 /nfs/dbraw/zinc/20/17/38/556201738.db2.gz ZPIUVBZGMDVXEQ-UHFFFAOYSA-N 0 0 447.925 3.702 50 0 IHAARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCCO)cc1 ZINC000008722293 556203449 /nfs/dbraw/zinc/20/34/49/556203449.db2.gz JXCGEXLXGLBLAF-LTGZKZEYSA-N 0 0 430.932 3.788 50 0 IHAARN O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000008744688 556208531 /nfs/dbraw/zinc/20/85/31/556208531.db2.gz XPQOQHTVUJXDMQ-UHFFFAOYSA-N 0 0 448.519 3.744 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816443 556217782 /nfs/dbraw/zinc/21/77/82/556217782.db2.gz MKVOGCWFGHDEPW-GOSISDBHSA-N 0 0 449.617 3.617 50 0 IHAARN O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccc(F)cc1 ZINC000008922200 556233855 /nfs/dbraw/zinc/23/38/55/556233855.db2.gz OAWKQQWLJJCSRR-UHFFFAOYSA-N 0 0 439.395 3.783 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)cc1 ZINC000008927293 556234718 /nfs/dbraw/zinc/23/47/18/556234718.db2.gz NAXIBLFHKLKRKL-SFHVURJKSA-N 0 0 447.443 3.586 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000008934848 556235391 /nfs/dbraw/zinc/23/53/91/556235391.db2.gz LARCTVCUJXHTRK-UHFFFAOYSA-N 0 0 443.525 3.941 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009042577 556242417 /nfs/dbraw/zinc/24/24/17/556242417.db2.gz QUAYXUXYFJCWSI-LJQANCHMSA-N 0 0 443.496 3.924 50 0 IHAARN COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3ccccn3)c2N1 ZINC000009060613 556244146 /nfs/dbraw/zinc/24/41/46/556244146.db2.gz XQQPPTYTLWMPJX-SJLPKXTDSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000097574135 556250229 /nfs/dbraw/zinc/25/02/29/556250229.db2.gz ORPBEKNLMXHVIU-UHFFFAOYSA-N 0 0 435.568 3.567 50 0 IHAARN O=C(Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=O)c1ccc(Br)cc1 ZINC000009186438 556250551 /nfs/dbraw/zinc/25/05/51/556250551.db2.gz HDVKURWPKYOPRH-UHFFFAOYSA-N 0 0 435.277 3.798 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c(OC)c1 ZINC000009197025 556255177 /nfs/dbraw/zinc/25/51/77/556255177.db2.gz UNAVYSPAMXGYRC-HNNXBMFYSA-N 0 0 441.915 3.550 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000009226315 556260076 /nfs/dbraw/zinc/26/00/76/556260076.db2.gz FCUQAEXLQOHCQV-VUGPOJFKSA-N 0 0 440.883 3.737 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000009235437 556263483 /nfs/dbraw/zinc/26/34/83/556263483.db2.gz XDACMNZMGJQJMF-UHFFFAOYSA-N 0 0 445.500 3.903 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009236728 556264172 /nfs/dbraw/zinc/26/41/72/556264172.db2.gz POOQXEMQTBWHRC-IRXDYDNUSA-N 0 0 433.896 3.785 50 0 IHAARN COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(OC)c1 ZINC000009287890 556272594 /nfs/dbraw/zinc/27/25/94/556272594.db2.gz VJLSWUXIGOGTKL-QFIPXVFZSA-N 0 0 440.515 3.820 50 0 IHAARN COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1O ZINC000009296152 556275505 /nfs/dbraw/zinc/27/55/05/556275505.db2.gz JNFHGEVWNNKXJV-ZROIWOOFSA-N 0 0 425.348 3.896 50 0 IHAARN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(Cn5cncn5)cc4)c(C)c3cc12 ZINC000009306540 556276902 /nfs/dbraw/zinc/27/69/02/556276902.db2.gz XUXSQNFJEQYVHM-UHFFFAOYSA-N 0 0 428.448 3.977 50 0 IHAARN CN(C)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 ZINC000013691840 556281472 /nfs/dbraw/zinc/28/14/72/556281472.db2.gz SCLJADJNGOUNQD-NOZRDPDXSA-N 0 0 436.577 3.644 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000009424870 556289848 /nfs/dbraw/zinc/28/98/48/556289848.db2.gz HRDZDKWWFXYRCL-KGENOOAVSA-N 0 0 448.525 3.533 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000013721819 556290593 /nfs/dbraw/zinc/29/05/93/556290593.db2.gz VYVSMBFNRXJPTB-GOSISDBHSA-N 0 0 429.929 3.744 50 0 IHAARN CC1(C)Cc2nc3oc4c(ncn(CC(=O)Nc5cccc(Cl)c5)c4=O)c3cc2CO1 ZINC000009429363 556290925 /nfs/dbraw/zinc/29/09/25/556290925.db2.gz OEOMEJOGUDEFRX-UHFFFAOYSA-N 0 0 438.871 3.681 50 0 IHAARN COc1ccc(N2C(=O)S/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCCO5)C2=O)cc1 ZINC000013722948 556291285 /nfs/dbraw/zinc/29/12/85/556291285.db2.gz QNZXIAGEPKPIMZ-VXLYETTFSA-N 0 0 436.445 3.549 50 0 IHAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2OC)N(c2nnc(C)s2)C1=O ZINC000009429966 556291263 /nfs/dbraw/zinc/29/12/63/556291263.db2.gz CWJYFDYRSCFOCL-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN Cc1csc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000013725125 556292400 /nfs/dbraw/zinc/29/24/00/556292400.db2.gz BTYPBXFJPWPCCE-UHFFFAOYSA-N 0 0 427.979 3.828 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000009489337 556294814 /nfs/dbraw/zinc/29/48/14/556294814.db2.gz HKIMPDYTDJFHRH-UHFFFAOYSA-N 0 0 442.899 3.987 50 0 IHAARN O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NCCCn1ccnc1 ZINC000013731040 556295783 /nfs/dbraw/zinc/29/57/83/556295783.db2.gz BEPKGYBQNPAPEW-UHFFFAOYSA-N 0 0 437.883 3.895 50 0 IHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3nc[nH]c3C)n2-c2ccccc2)cc1 ZINC000009526053 556296997 /nfs/dbraw/zinc/29/69/97/556296997.db2.gz LLUFKFGPGBCBNU-UHFFFAOYSA-N 0 0 432.509 3.899 50 0 IHAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCC(c1ccccc1)c1ccccc1 ZINC000013734786 556297450 /nfs/dbraw/zinc/29/74/50/556297450.db2.gz ZXQPAXPWIXAGOM-UHFFFAOYSA-N 0 0 439.515 3.670 50 0 IHAARN COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000013739170 556298146 /nfs/dbraw/zinc/29/81/46/556298146.db2.gz KTENBXQFCAFJKA-ZGWGENLKSA-N 0 0 442.540 3.738 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H](C)c1ccco1 ZINC000032739460 556300043 /nfs/dbraw/zinc/30/00/43/556300043.db2.gz YMZJKGGTWKFYGB-OAHLLOKOSA-N 0 0 426.494 3.531 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H](C)c1ccco1 ZINC000032739459 556300083 /nfs/dbraw/zinc/30/00/83/556300083.db2.gz YMZJKGGTWKFYGB-HNNXBMFYSA-N 0 0 426.494 3.531 50 0 IHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009590935 556301107 /nfs/dbraw/zinc/30/11/07/556301107.db2.gz RRJVFNWSEJPLLR-GOEBONIOSA-N 0 0 430.298 3.925 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 ZINC000013758837 556301500 /nfs/dbraw/zinc/30/15/00/556301500.db2.gz BCONHDFCOSPNHQ-FTBPSBKWSA-N 0 0 430.589 3.821 50 0 IHAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 ZINC000013758841 556301511 /nfs/dbraw/zinc/30/15/11/556301511.db2.gz BCONHDFCOSPNHQ-NQHRYMMQSA-N 0 0 430.589 3.821 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCN(C(=O)c2ccco2)CC1 ZINC000032744533 556304646 /nfs/dbraw/zinc/30/46/46/556304646.db2.gz BWQDMMQQZMACBN-UHFFFAOYSA-N 0 0 425.466 3.623 50 0 IHAARN O=C(CC1(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)CCCC1)N1CCOCC1 ZINC000032738012 556306912 /nfs/dbraw/zinc/30/69/12/556306912.db2.gz AAWZKWYMGPAPKC-UHFFFAOYSA-N 0 0 439.483 3.771 50 0 IHAARN O=C(c1ccccc1Br)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013779031 556308220 /nfs/dbraw/zinc/30/82/20/556308220.db2.gz KEYDCHFXNKBFTF-HNNXBMFYSA-N 0 0 442.762 3.932 50 0 IHAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000032738653 556308579 /nfs/dbraw/zinc/30/85/79/556308579.db2.gz VAPJPRWWWREPBS-ZWKOTPCHSA-N 0 0 428.554 3.646 50 0 IHAARN COc1ccc(OC)c(C(=O)C[C@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c1 ZINC000009804728 556308960 /nfs/dbraw/zinc/30/89/60/556308960.db2.gz CPVCHFVYBLRTDF-SANMLTNESA-N 0 0 431.488 3.754 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1 ZINC000009830279 556310365 /nfs/dbraw/zinc/31/03/65/556310365.db2.gz JEFAIEUSOBMGJA-UHFFFAOYSA-N 0 0 432.505 3.579 50 0 IHAARN CC[C@@H](Sc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000009830457 556310993 /nfs/dbraw/zinc/31/09/93/556310993.db2.gz YAQUPUZMNJQEBG-KBXCAEBGSA-N 0 0 442.516 3.619 50 0 IHAARN Cc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000032744926 556314208 /nfs/dbraw/zinc/31/42/08/556314208.db2.gz KSPWCATTYMLTIT-UHFFFAOYSA-N 0 0 431.558 3.598 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)n3nnc(-c4ccc(Br)cc4)n3)o2)cc1 ZINC000032745357 556315112 /nfs/dbraw/zinc/31/51/12/556315112.db2.gz CBZFYQYAWKKXKK-NSHDSACASA-N 0 0 427.262 3.771 50 0 IHAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 ZINC000009934164 556317858 /nfs/dbraw/zinc/31/78/58/556317858.db2.gz NXMDWXZNNYFEBP-HXUWFJFHSA-N 0 0 437.427 3.794 50 0 IHAARN CCOC(=O)c1c2ccc(Br)c(OC[C@H](C)CO)c2sc1NC(C)=O ZINC000009942986 556318893 /nfs/dbraw/zinc/31/88/93/556318893.db2.gz SQNXCHYLCMAWQS-SECBINFHSA-N 0 0 430.320 3.806 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000013856262 556320865 /nfs/dbraw/zinc/32/08/65/556320865.db2.gz UPGIDZCNBPDUIR-SFHVURJKSA-N 0 0 430.570 3.621 50 0 IHAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000010078258 556324958 /nfs/dbraw/zinc/32/49/58/556324958.db2.gz RXRUCNVEPNABMD-UHFFFAOYSA-N 0 0 435.299 3.511 50 0 IHAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000010076246 556325063 /nfs/dbraw/zinc/32/50/63/556325063.db2.gz QSUSVMSDHLJJMG-UHFFFAOYSA-N 0 0 436.533 3.560 50 0 IHAARN O=c1oc2ccccc2n1CCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000032777008 556327125 /nfs/dbraw/zinc/32/71/25/556327125.db2.gz TTXQPDDWCICALW-UHFFFAOYSA-N 0 0 435.553 3.953 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013893087 556327185 /nfs/dbraw/zinc/32/71/85/556327185.db2.gz INSOGGHXSJJARO-KRWDZBQOSA-N 0 0 443.569 3.542 50 0 IHAARN O=c1oc2ccccc2n1CCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000032777065 556327627 /nfs/dbraw/zinc/32/76/27/556327627.db2.gz PLFSZLHRKKSENI-CQSZACIVSA-N 0 0 428.539 3.886 50 0 IHAARN CSc1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000013896717 556329549 /nfs/dbraw/zinc/32/95/49/556329549.db2.gz STBSFLJYIYRRJV-UHFFFAOYSA-N 0 0 443.388 3.884 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000032770632 556334454 /nfs/dbraw/zinc/33/44/54/556334454.db2.gz UGEGDTRPYXJXLH-NSHDSACASA-N 0 0 444.269 3.589 50 0 IHAARN Cc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c2nc3n(c2n1)CCCCC3 ZINC000032770918 556334749 /nfs/dbraw/zinc/33/47/49/556334749.db2.gz PUWRTIMCRGSIHF-KRWDZBQOSA-N 0 0 429.528 3.529 50 0 IHAARN CSc1ncc(C(=O)N(C)Cc2ccccc2N2CCOCC2)n1-c1ccc(F)cc1 ZINC000032772558 556335646 /nfs/dbraw/zinc/33/56/46/556335646.db2.gz PTLVRKVEKCBCQU-UHFFFAOYSA-N 0 0 440.544 3.842 50 0 IHAARN CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C ZINC000032776100 556336898 /nfs/dbraw/zinc/33/68/98/556336898.db2.gz XOUBLVYCGKYJGQ-NVXWUHKLSA-N 0 0 428.562 3.755 50 0 IHAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1OC ZINC000013942528 556340003 /nfs/dbraw/zinc/34/00/03/556340003.db2.gz RRPZBNQNONFUGH-HNNXBMFYSA-N 0 0 438.509 3.637 50 0 IHAARN Cn1c2ccc(Br)cc2c2nnc(SCn3nnc4ccccc43)nc21 ZINC000013942889 556340396 /nfs/dbraw/zinc/34/03/96/556340396.db2.gz YOGRDSRYQNKANX-UHFFFAOYSA-N 0 0 426.303 3.774 50 0 IHAARN COc1cc(C)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC ZINC000022921947 556340870 /nfs/dbraw/zinc/34/08/70/556340870.db2.gz GCIUTFQQZFKIPH-KRWDZBQOSA-N 0 0 431.964 3.810 50 0 IHAARN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000013946222 556343756 /nfs/dbraw/zinc/34/37/56/556343756.db2.gz IDOCFEJYARHAQR-UHFFFAOYSA-N 0 0 442.522 3.543 50 0 IHAARN CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000032781057 556346450 /nfs/dbraw/zinc/34/64/50/556346450.db2.gz RUCHHMLHXMDGHI-IBGZPJMESA-N 0 0 446.525 3.878 50 0 IHAARN CC(C)(C)c1ccc(OCn2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)n2)cc1 ZINC000013960032 556347126 /nfs/dbraw/zinc/34/71/26/556347126.db2.gz YJRVJCNVCJLEMZ-HXUWFJFHSA-N 0 0 442.413 3.638 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000032781141 556347288 /nfs/dbraw/zinc/34/72/88/556347288.db2.gz NMWXMXUOWWLVQB-GOTSBHOMSA-N 0 0 445.563 3.825 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000011716331 556348486 /nfs/dbraw/zinc/34/84/86/556348486.db2.gz IMPBWWVDIXWPIT-UHFFFAOYSA-N 0 0 433.483 3.834 50 0 IHAARN CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)C2CC2)nc1C(F)(F)F ZINC000013961482 556349226 /nfs/dbraw/zinc/34/92/26/556349226.db2.gz WKUMYWWCSPYTDX-VMPITWQZSA-N 0 0 428.436 3.589 50 0 IHAARN CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000011775809 556350915 /nfs/dbraw/zinc/35/09/15/556350915.db2.gz XMMJMZKRTHFSMD-QFIPXVFZSA-N 0 0 436.487 3.826 50 0 IHAARN CC(C)Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)[nH]n1 ZINC000011784668 556352880 /nfs/dbraw/zinc/35/28/80/556352880.db2.gz ADMAMVLVQIIRAL-OAQYLSRUSA-N 0 0 447.583 3.691 50 0 IHAARN O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1nnc(-c2cccs2)o1 ZINC000032789481 556354086 /nfs/dbraw/zinc/35/40/86/556354086.db2.gz ZAQCDWMYSLBZIN-UHFFFAOYSA-N 0 0 444.398 3.761 50 0 IHAARN Cn1c(C(=O)NC[C@H]2CCC3(CCN(C(=O)Cc4ccccc4)CC3)O2)cc2ccccc21 ZINC000011787332 556354138 /nfs/dbraw/zinc/35/41/38/556354138.db2.gz XNTOSJHGRZMZQV-JOCHJYFZSA-N 0 0 445.563 3.691 50 0 IHAARN O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1noc(-c2cccs2)n1 ZINC000032789488 556354178 /nfs/dbraw/zinc/35/41/78/556354178.db2.gz JWFIOMNURWKMQZ-UHFFFAOYSA-N 0 0 444.398 3.761 50 0 IHAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N[C@@H](CCn1ccnc1)c1ccccc1 ZINC000011790007 556355407 /nfs/dbraw/zinc/35/54/07/556355407.db2.gz RGTPPVHBFNUVHJ-XUZZJYLKSA-N 0 0 436.581 3.864 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cnn(Cc2ccccc2)c1 ZINC000014021417 556356745 /nfs/dbraw/zinc/35/67/45/556356745.db2.gz JJJRFALJESUUSK-UHFFFAOYSA-N 0 0 428.540 3.804 50 0 IHAARN Cc1cccc([C@@H](CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 ZINC000032796548 556361761 /nfs/dbraw/zinc/36/17/61/556361761.db2.gz KDKJWIOCOXCRQA-WOJBJXKFSA-N 0 0 445.947 3.947 50 0 IHAARN COc1ccc(C(=O)C2CCN(CC(=O)N(C)Cc3nc4ccccc4s3)CC2)cc1 ZINC000014075857 556361838 /nfs/dbraw/zinc/36/18/38/556361838.db2.gz ZTYQBOVWQBSQGQ-UHFFFAOYSA-N 0 0 437.565 3.858 50 0 IHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](CO)Cc2ccco2)cc1 ZINC000032803210 556365373 /nfs/dbraw/zinc/36/53/73/556365373.db2.gz RDHWOCQGDUCMFB-GOSISDBHSA-N 0 0 431.492 3.722 50 0 IHAARN COc1ccc(CCC(=O)NC[C@H]2Cc3cccc(-c4nc(C)cc(C)n4)c3O2)cc1OC ZINC000011841819 556365520 /nfs/dbraw/zinc/36/55/20/556365520.db2.gz UWBQRHZXAMAVML-HXUWFJFHSA-N 0 0 447.535 3.830 50 0 IHAARN CCOC(=O)c1sc2nc(C)nc(N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2c1C ZINC000032808478 556368525 /nfs/dbraw/zinc/36/85/25/556368525.db2.gz PGINPVZZVIALHY-CQSZACIVSA-N 0 0 443.525 3.556 50 0 IHAARN COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc3[nH]ccc3c1)CCO2 ZINC000011872451 556368870 /nfs/dbraw/zinc/36/88/70/556368870.db2.gz XTLUAXAKFUKRMW-HSZRJFAPSA-N 0 0 447.535 3.730 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccccc1OC(F)F ZINC000032808609 556369142 /nfs/dbraw/zinc/36/91/42/556369142.db2.gz XFJXCZIKPHQTFV-UHFFFAOYSA-N 0 0 429.349 3.933 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000014119407 556371979 /nfs/dbraw/zinc/37/19/79/556371979.db2.gz XQINHMZIPRLQJJ-UHFFFAOYSA-N 0 0 431.330 3.852 50 0 IHAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4Cc5ccccc5C[C@H]4C(N)=O)cc3)o2)cc1 ZINC000014121235 556372259 /nfs/dbraw/zinc/37/22/59/556372259.db2.gz LIMNWBUHKVEAKO-QFIPXVFZSA-N 0 0 438.487 3.764 50 0 IHAARN COCCNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000011881690 556373271 /nfs/dbraw/zinc/37/32/71/556373271.db2.gz IYUNRVPWNIBYDT-UHFFFAOYSA-N 0 0 431.418 3.602 50 0 IHAARN COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000011972194 556382398 /nfs/dbraw/zinc/38/23/98/556382398.db2.gz IJBFRTWXKXFMRM-HXUWFJFHSA-N 0 0 426.944 3.950 50 0 IHAARN CCOc1cc(CN(C(=O)Cn2cnc3ccccc3c2=O)C2CC2)ccc1OC(F)F ZINC000014182167 556382884 /nfs/dbraw/zinc/38/28/84/556382884.db2.gz CJIHLWRBYPQUQR-UHFFFAOYSA-N 0 0 443.450 3.588 50 0 IHAARN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccc(F)c2F)c1=O ZINC000011999074 556385360 /nfs/dbraw/zinc/38/53/60/556385360.db2.gz BPYCJNANMYQGGS-UHFFFAOYSA-N 0 0 445.510 3.900 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000014185983 556385748 /nfs/dbraw/zinc/38/57/48/556385748.db2.gz NVTFRGVDKZNUPL-UHFFFAOYSA-N 0 0 426.991 3.631 50 0 IHAARN O=C(CSc1ccncc1)N1CCC2(C[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000012025259 556387824 /nfs/dbraw/zinc/38/78/24/556387824.db2.gz FPFVNTWIAOXGSX-NRFANRHFSA-N 0 0 447.564 3.627 50 0 IHAARN O=C([C@H]1CC12CCN(Cc1nc3ccccc3[nH]1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012027625 556388195 /nfs/dbraw/zinc/38/81/95/556388195.db2.gz RKDAELYGSVPCEA-OAQYLSRUSA-N 0 0 429.568 3.514 50 0 IHAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2C(=O)CSC2=O)cc1 ZINC000012028913 556388571 /nfs/dbraw/zinc/38/85/71/556388571.db2.gz AUMGRBRWSZFRJD-QHCPKHFHSA-N 0 0 433.533 3.900 50 0 IHAARN O=C(c1ccco1)N1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012030262 556388599 /nfs/dbraw/zinc/38/85/99/556388599.db2.gz GQXFQYZWQJMAJI-UHFFFAOYSA-N 0 0 434.418 3.620 50 0 IHAARN O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014198777 556390060 /nfs/dbraw/zinc/39/00/60/556390060.db2.gz SFCKDOWIXZPOCP-UHFFFAOYSA-N 0 0 445.928 3.667 50 0 IHAARN CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O ZINC000012038181 556390175 /nfs/dbraw/zinc/39/01/75/556390175.db2.gz XCQRJJQHMOWAOV-LVXARBLLSA-N 0 0 433.552 3.768 50 0 IHAARN O=C(Cc1cccc2ccccc21)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 ZINC000012036807 556390215 /nfs/dbraw/zinc/39/02/15/556390215.db2.gz MMIHJFDGPVFPFN-HSZRJFAPSA-N 0 0 443.547 3.748 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000014200437 556390896 /nfs/dbraw/zinc/39/08/96/556390896.db2.gz YRVGTZJLWAECRF-OAHLLOKOSA-N 0 0 447.520 3.739 50 0 IHAARN Cc1ccc(CN(C)C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)o1 ZINC000014200817 556391403 /nfs/dbraw/zinc/39/14/03/556391403.db2.gz PVZBBDBKYZHCQF-UHFFFAOYSA-N 0 0 439.493 3.715 50 0 IHAARN COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 ZINC000012062717 556395814 /nfs/dbraw/zinc/39/58/14/556395814.db2.gz AROOVNOAMIQWOP-UHFFFAOYSA-N 0 0 431.901 3.673 50 0 IHAARN CC(C)c1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 ZINC000012062881 556395837 /nfs/dbraw/zinc/39/58/37/556395837.db2.gz LAUSBESEYKGQJX-UHFFFAOYSA-N 0 0 442.537 3.758 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014231257 556397818 /nfs/dbraw/zinc/39/78/18/556397818.db2.gz MDLPSDQQUMCFPD-SFHVURJKSA-N 0 0 433.530 3.891 50 0 IHAARN Cc1nc(C)n(CC(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 ZINC000012079702 556398515 /nfs/dbraw/zinc/39/85/15/556398515.db2.gz WUOUHKJLCKCFCG-INIZCTEOSA-N 0 0 430.430 3.701 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc(Cl)s2)cc1 ZINC000014237251 556399713 /nfs/dbraw/zinc/39/97/13/556399713.db2.gz RXCMMAPTGKWHHS-UHFFFAOYSA-N 0 0 442.990 3.509 50 0 IHAARN COc1cccc(-n2nc(C)c(CCC(=O)N(C)Cc3ccc4c(c3)OCCO4)c2C)c1 ZINC000014237806 556400014 /nfs/dbraw/zinc/40/00/14/556400014.db2.gz HLPFKNPSOKBFCX-UHFFFAOYSA-N 0 0 435.524 3.860 50 0 IHAARN COc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 ZINC000012090164 556401983 /nfs/dbraw/zinc/40/19/83/556401983.db2.gz NSDFCLDTUFPVBV-QGZVFWFLSA-N 0 0 440.931 3.920 50 0 IHAARN Cc1cc(C(=O)COc2ccc(C)cc2Br)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000014241920 556402361 /nfs/dbraw/zinc/40/23/61/556402361.db2.gz RYHIACYJUGEROW-OAHLLOKOSA-N 0 0 440.359 3.797 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000014242487 556403205 /nfs/dbraw/zinc/40/32/05/556403205.db2.gz NMSFCCPPTTUYKK-KRWDZBQOSA-N 0 0 438.471 3.853 50 0 IHAARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000032581948 556404749 /nfs/dbraw/zinc/40/47/49/556404749.db2.gz OWUBPGCBAAXKKL-UHFFFAOYSA-N 0 0 425.872 3.800 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014246343 556406367 /nfs/dbraw/zinc/40/63/67/556406367.db2.gz ARABHLUSGPQBIK-UHFFFAOYSA-N 0 0 447.866 3.897 50 0 IHAARN O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000014249498 556408404 /nfs/dbraw/zinc/40/84/04/556408404.db2.gz SPLLDTDCGYOQLU-UHFFFAOYSA-N 0 0 436.459 3.956 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cn1nc(-c2ccccc2)oc1=S ZINC000014250485 556408846 /nfs/dbraw/zinc/40/88/46/556408846.db2.gz YSUONSBLFCSWOS-HNNXBMFYSA-N 0 0 437.525 3.526 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622250 556409604 /nfs/dbraw/zinc/40/96/04/556409604.db2.gz VUUGVPXPTUOVTD-XMMPIXPASA-N 0 0 446.547 3.986 50 0 IHAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)c1C ZINC000014255101 556410622 /nfs/dbraw/zinc/41/06/22/556410622.db2.gz GFFLLGZIBOYPTE-UHFFFAOYSA-N 0 0 437.496 3.864 50 0 IHAARN CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000014262774 556410905 /nfs/dbraw/zinc/41/09/05/556410905.db2.gz MOTVKVWRMRXQEM-CYBMUJFWSA-N 0 0 430.596 3.659 50 0 IHAARN Cc1cc2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2c2ccccc12 ZINC000032671970 556414435 /nfs/dbraw/zinc/41/44/35/556414435.db2.gz XJFSHTPUDKNLOS-CQSZACIVSA-N 0 0 440.550 3.926 50 0 IHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000032674195 556415323 /nfs/dbraw/zinc/41/53/23/556415323.db2.gz BCBWDQPVYUWMKC-SFHVURJKSA-N 0 0 435.307 3.952 50 0 IHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000032674197 556415366 /nfs/dbraw/zinc/41/53/66/556415366.db2.gz BCBWDQPVYUWMKC-GOSISDBHSA-N 0 0 435.307 3.952 50 0 IHAARN Cc1sc2ncn(CC(=O)Nc3nc(CN4C[C@H](C)C[C@H](C)C4)cs3)c(=O)c2c1C ZINC000014528914 556419972 /nfs/dbraw/zinc/41/99/72/556419972.db2.gz NYKPBDQJMJPQEC-BETUJISGSA-N 0 0 445.614 3.648 50 0 IHAARN CC(C)c1nc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](OCC3CC3)C2)cs1 ZINC000014532235 556421004 /nfs/dbraw/zinc/42/10/04/556421004.db2.gz DXZDYBKBKVOGKK-IBGZPJMESA-N 0 0 427.570 3.546 50 0 IHAARN Cc1ccc(CN2C[C@@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2=O)cc1 ZINC000012979938 556423951 /nfs/dbraw/zinc/42/39/51/556423951.db2.gz SFZMEKWEJBFHOW-INIZCTEOSA-N 0 0 448.350 3.747 50 0 IHAARN O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000012980605 556424280 /nfs/dbraw/zinc/42/42/80/556424280.db2.gz RNDLRXOGNXWIQE-CYBMUJFWSA-N 0 0 436.883 3.548 50 0 IHAARN CN(CC(=O)Nc1cccc(I)c1)Cc1nc2ccccc2s1 ZINC000012986685 556427065 /nfs/dbraw/zinc/42/70/65/556427065.db2.gz NYGLYPOREBYBBA-UHFFFAOYSA-N 0 0 437.306 3.971 50 0 IHAARN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1F ZINC000012989388 556428149 /nfs/dbraw/zinc/42/81/49/556428149.db2.gz MQDFXJIFSOTDCF-UHFFFAOYSA-N 0 0 431.316 3.812 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012989764 556428185 /nfs/dbraw/zinc/42/81/85/556428185.db2.gz KASSUXAEBZOJGA-UHFFFAOYSA-N 0 0 433.474 3.648 50 0 IHAARN O=C(Cn1c2ccccc2nc1SC(F)F)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000032843040 556428150 /nfs/dbraw/zinc/42/81/50/556428150.db2.gz BKWAAPIRCWYZDW-UHFFFAOYSA-N 0 0 444.507 3.772 50 0 IHAARN COc1ccc([C@H](NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c2nccn2C)cc1 ZINC000032843629 556428708 /nfs/dbraw/zinc/42/87/08/556428708.db2.gz IUKNLLQAMUBWCA-QFIPXVFZSA-N 0 0 431.496 3.626 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCCc2cccs2)c(=O)[nH]c1=O ZINC000014625196 556430100 /nfs/dbraw/zinc/43/01/00/556430100.db2.gz XQONCMLOGDKVND-UHFFFAOYSA-N 0 0 440.569 3.537 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000012995352 556430730 /nfs/dbraw/zinc/43/07/30/556430730.db2.gz RJIQAJDGOKLAFS-QFIPXVFZSA-N 0 0 445.585 3.501 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 ZINC000012997985 556432164 /nfs/dbraw/zinc/43/21/64/556432164.db2.gz XPFGNOYUNFMPNR-UHFFFAOYSA-N 0 0 426.563 3.870 50 0 IHAARN O=C(OCc1nnc(-c2ccccc2)o1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000032854482 556432365 /nfs/dbraw/zinc/43/23/65/556432365.db2.gz YHWWSRQBTNEXIH-UHFFFAOYSA-N 0 0 432.885 3.830 50 0 IHAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032854665 556432844 /nfs/dbraw/zinc/43/28/44/556432844.db2.gz NESKSPLDHUGZOX-UHFFFAOYSA-N 0 0 446.459 3.663 50 0 IHAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013001070 556433370 /nfs/dbraw/zinc/43/33/70/556433370.db2.gz RPJGSGAIAKALJV-UHFFFAOYSA-N 0 0 430.913 3.747 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c1 ZINC000027956307 556436041 /nfs/dbraw/zinc/43/60/41/556436041.db2.gz SWBGUNLZVHDFAP-QAPCUYQASA-N 0 0 433.574 3.666 50 0 IHAARN CCN(C(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000013030436 556442273 /nfs/dbraw/zinc/44/22/73/556442273.db2.gz RWKHSDLJHBLYRL-BBRMVZONSA-N 0 0 440.915 3.831 50 0 IHAARN CCc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c2cc1Cl ZINC000013038076 556443770 /nfs/dbraw/zinc/44/37/70/556443770.db2.gz AHERWJVNOWWADU-CQSZACIVSA-N 0 0 429.856 3.694 50 0 IHAARN Cc1cc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1C(C)C ZINC000032859793 556446171 /nfs/dbraw/zinc/44/61/71/556446171.db2.gz XNEKNXIUSGPEKB-GOSISDBHSA-N 0 0 437.540 3.720 50 0 IHAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000028251369 556446969 /nfs/dbraw/zinc/44/69/69/556446969.db2.gz XPPGKBVZYZHQIQ-HNNXBMFYSA-N 0 0 432.270 3.970 50 0 IHAARN CC(C)OC(=O)C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccccc1Cl ZINC000014806769 556447139 /nfs/dbraw/zinc/44/71/39/556447139.db2.gz TYFCULWWJIYBIY-GOSISDBHSA-N 0 0 443.931 3.583 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)N(C)C ZINC000028288211 556447902 /nfs/dbraw/zinc/44/79/02/556447902.db2.gz FKZAJAMMVYXVNV-INIZCTEOSA-N 0 0 445.313 3.597 50 0 IHAARN COc1cc2c(cc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c3ccccc31)oc1ccccc12 ZINC000028315918 556451997 /nfs/dbraw/zinc/45/19/97/556451997.db2.gz XNNUZBNZHBWPIY-ZDUSSCGKSA-N 0 0 449.488 3.660 50 0 IHAARN Cc1c(C(=O)N[C@H](C)c2cccs2)sc2ncnc(NCCCN3CCCC3=O)c12 ZINC000014878696 556452360 /nfs/dbraw/zinc/45/23/60/556452360.db2.gz WFRWZEGDCNIRAC-CQSZACIVSA-N 0 0 443.598 3.977 50 0 IHAARN Cn1c(CCNC(=O)c2ccc3c(c2)c2ccccc2n3C)nnc1SC[C@@H]1CCCO1 ZINC000014882463 556454488 /nfs/dbraw/zinc/45/44/88/556454488.db2.gz XWZXICURTVVLPG-KRWDZBQOSA-N 0 0 449.580 3.704 50 0 IHAARN CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000013096500 556457296 /nfs/dbraw/zinc/45/72/96/556457296.db2.gz RQBJBKKPHYZRQK-UHFFFAOYSA-N 0 0 447.539 3.827 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)s1 ZINC000028617847 556457328 /nfs/dbraw/zinc/45/73/28/556457328.db2.gz ACTXYAUSMVHLTD-AWEZNQCLSA-N 0 0 439.628 3.821 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)n(C)c1 ZINC000028729752 556459766 /nfs/dbraw/zinc/45/97/66/556459766.db2.gz SROWJMGGIYXPOR-MRXNPFEDSA-N 0 0 442.006 3.676 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000013101186 556460516 /nfs/dbraw/zinc/46/05/16/556460516.db2.gz HKTCABUETHAIMK-UHFFFAOYSA-N 0 0 426.538 3.646 50 0 IHAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028757061 556460576 /nfs/dbraw/zinc/46/05/76/556460576.db2.gz QFKPQHRYONQFOS-GOSISDBHSA-N 0 0 441.940 3.993 50 0 IHAARN O=C(Cc1sc(NC2CC2)nc1O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013102147 556461115 /nfs/dbraw/zinc/46/11/15/556461115.db2.gz ADGSHQWNLTUDRG-QGZVFWFLSA-N 0 0 427.913 3.650 50 0 IHAARN Cc1oc(NC(=O)COC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000013108082 556461755 /nfs/dbraw/zinc/46/17/55/556461755.db2.gz XCKTUVJHTPPUJM-MRXNPFEDSA-N 0 0 431.876 3.708 50 0 IHAARN COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000028829971 556462056 /nfs/dbraw/zinc/46/20/56/556462056.db2.gz KTUWSIQBULRXDJ-LLVKDONJSA-N 0 0 435.274 3.600 50 0 IHAARN Cc1ccccc1N(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)S(C)(=O)=O ZINC000013108420 556462331 /nfs/dbraw/zinc/46/23/31/556462331.db2.gz NEBKPDJGVWAJAT-QGZVFWFLSA-N 0 0 443.594 3.777 50 0 IHAARN COc1ccccc1C(=O)NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 ZINC000014956164 556462370 /nfs/dbraw/zinc/46/23/70/556462370.db2.gz BKRQXELVSRPDKA-SFHVURJKSA-N 0 0 438.553 3.536 50 0 IHAARN Cc1nc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)sc1CC(N)=O ZINC000032871353 556462391 /nfs/dbraw/zinc/46/23/91/556462391.db2.gz PWTPUXFIQRCZAQ-UHFFFAOYSA-N 0 0 435.958 3.801 50 0 IHAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000013109834 556463656 /nfs/dbraw/zinc/46/36/56/556463656.db2.gz DUNROIPGDKTEQD-UHFFFAOYSA-N 0 0 438.571 3.770 50 0 IHAARN COc1ccc2cc([C@@H](C)C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ccc2c1 ZINC000013112878 556465887 /nfs/dbraw/zinc/46/58/87/556465887.db2.gz JSBPXYABWSKRPG-GOSISDBHSA-N 0 0 449.526 3.874 50 0 IHAARN COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cc1OC ZINC000014967984 556466067 /nfs/dbraw/zinc/46/60/67/556466067.db2.gz DFZIHZSRFXKRQQ-IBGZPJMESA-N 0 0 427.451 3.904 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)CCCn2cnc3c(C)cccc3c2=O)c(OC)c1 ZINC000029067802 556466394 /nfs/dbraw/zinc/46/63/94/556466394.db2.gz UUEKTBSFZSQXHE-OAQYLSRUSA-N 0 0 435.524 3.866 50 0 IHAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1S[C@@H]1CCCCNC1=O ZINC000032871625 556467410 /nfs/dbraw/zinc/46/74/10/556467410.db2.gz HJXIHIAXEGDMCR-MRXNPFEDSA-N 0 0 447.557 3.671 50 0 IHAARN CC(C)c1nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cs1 ZINC000014977719 556469581 /nfs/dbraw/zinc/46/95/81/556469581.db2.gz WKMRTPQKDPEWSV-UHFFFAOYSA-N 0 0 427.570 3.976 50 0 IHAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000014977968 556469665 /nfs/dbraw/zinc/46/96/65/556469665.db2.gz XLDIOEMRXLGTBV-RDPSFJRHSA-N 0 0 426.582 3.927 50 0 IHAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013117491 556470183 /nfs/dbraw/zinc/47/01/83/556470183.db2.gz OQHWJCOROMABQD-GFCCVEGCSA-N 0 0 447.900 3.828 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029268295 556471318 /nfs/dbraw/zinc/47/13/18/556471318.db2.gz DVBZQAJWHREFHY-UHFFFAOYSA-N 0 0 435.509 3.813 50 0 IHAARN O=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCC[C@H]1c1cccnc1 ZINC000029297582 556471921 /nfs/dbraw/zinc/47/19/21/556471921.db2.gz RKXRPGRCOPMLQW-QHCPKHFHSA-N 0 0 425.488 3.898 50 0 IHAARN COc1ccc(CCNC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000029321152 556472225 /nfs/dbraw/zinc/47/22/25/556472225.db2.gz MWJUJPNETSZFPI-OAHLLOKOSA-N 0 0 426.492 3.940 50 0 IHAARN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013120221 556472305 /nfs/dbraw/zinc/47/23/05/556472305.db2.gz BMMLBHLXIFZXID-MRXNPFEDSA-N 0 0 426.567 3.649 50 0 IHAARN O=C(NCc1cccs1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000014985083 556472317 /nfs/dbraw/zinc/47/23/17/556472317.db2.gz WWZCKOFLFFEXFT-UHFFFAOYSA-N 0 0 445.504 3.927 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)cc1OC ZINC000014988535 556473723 /nfs/dbraw/zinc/47/37/23/556473723.db2.gz BHUUGDVXXSUTJD-UHFFFAOYSA-N 0 0 441.557 3.569 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014990894 556475165 /nfs/dbraw/zinc/47/51/65/556475165.db2.gz IWPRPKLOOCDMDG-UHFFFAOYSA-N 0 0 442.498 3.739 50 0 IHAARN C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H]1C ZINC000013126929 556475376 /nfs/dbraw/zinc/47/53/76/556475376.db2.gz OHFOYVMLLSKEPX-YYIAUSFCSA-N 0 0 444.553 3.621 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1C ZINC000029437799 556475481 /nfs/dbraw/zinc/47/54/81/556475481.db2.gz HTDJNJVSOZYTNJ-UHFFFAOYSA-N 0 0 431.543 3.557 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(OC)cc1)N2 ZINC000013127240 556475767 /nfs/dbraw/zinc/47/57/67/556475767.db2.gz IVTWYJRMCCRDBE-MSOLQXFVSA-N 0 0 427.892 3.671 50 0 IHAARN COc1cccc(CCNc2ncnc3sc(C(=O)NC[C@@H]4CCCO4)c(C)c32)c1 ZINC000014992519 556475902 /nfs/dbraw/zinc/47/59/02/556475902.db2.gz NIYGDLGEALZNHG-KRWDZBQOSA-N 0 0 426.542 3.572 50 0 IHAARN CNc1nnc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)s1 ZINC000013127771 556476375 /nfs/dbraw/zinc/47/63/75/556476375.db2.gz IDMBGOWXCMWGTK-CYBMUJFWSA-N 0 0 427.555 3.802 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)[C@@H]1CCc2ccccc21 ZINC000029486419 556476475 /nfs/dbraw/zinc/47/64/75/556476475.db2.gz WPCLCLPTRQOBLB-OAQYLSRUSA-N 0 0 426.586 3.816 50 0 IHAARN COC(=O)C[C@@H](NC(=O)c1csc(-c2cccc(OC)c2OC)n1)c1cccs1 ZINC000029632885 556479399 /nfs/dbraw/zinc/47/93/99/556479399.db2.gz QKYBVMJTLZUXMP-CYBMUJFWSA-N 0 0 432.523 3.923 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000013130644 556479726 /nfs/dbraw/zinc/47/97/26/556479726.db2.gz HMGUGPKCXNXABL-UHFFFAOYSA-N 0 0 444.940 3.917 50 0 IHAARN CC(=O)c1ccc(N(CC(=O)N2CCCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013130832 556480148 /nfs/dbraw/zinc/48/01/48/556480148.db2.gz VGNOUAJGKVLCFW-GOSISDBHSA-N 0 0 428.554 3.794 50 0 IHAARN Cc1occc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1C ZINC000013131386 556480428 /nfs/dbraw/zinc/48/04/28/556480428.db2.gz WFNICTQOQKSBMX-KRWDZBQOSA-N 0 0 428.489 3.836 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000013137116 556483999 /nfs/dbraw/zinc/48/39/99/556483999.db2.gz RZUASTVRAHVWAB-UHFFFAOYSA-N 0 0 434.561 3.738 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000013137115 556484058 /nfs/dbraw/zinc/48/40/58/556484058.db2.gz QQQHQBAXCGQEMF-UHFFFAOYSA-N 0 0 436.533 3.934 50 0 IHAARN Cn1cc([C@H]2[C@H](c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CCC(=O)N2C)cn1 ZINC000072289742 556485217 /nfs/dbraw/zinc/48/52/17/556485217.db2.gz PKQZWCCWQMZPAM-IRLDBZIGSA-N 0 0 444.495 3.521 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000013141132 556486349 /nfs/dbraw/zinc/48/63/49/556486349.db2.gz MSCGZLYDSUICAM-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)NCc1ccco1 ZINC000013141660 556486915 /nfs/dbraw/zinc/48/69/15/556486915.db2.gz PFOSBIWSXZAPGT-UHFFFAOYSA-N 0 0 445.504 3.917 50 0 IHAARN O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000013145494 556487588 /nfs/dbraw/zinc/48/75/88/556487588.db2.gz ASBCIWKUIZSEOX-UHFFFAOYSA-N 0 0 440.883 4.000 50 0 IHAARN CC(C)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1Cc1ccco1 ZINC000029964294 556487623 /nfs/dbraw/zinc/48/76/23/556487623.db2.gz DONSZXNJJJXGIU-HNNXBMFYSA-N 0 0 439.541 3.899 50 0 IHAARN CC(C)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1Cc1ccco1 ZINC000029964300 556487642 /nfs/dbraw/zinc/48/76/42/556487642.db2.gz DONSZXNJJJXGIU-OAHLLOKOSA-N 0 0 439.541 3.899 50 0 IHAARN Cc1ccc([C@@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]32)cc1 ZINC000013145657 556487765 /nfs/dbraw/zinc/48/77/65/556487765.db2.gz CKBLYSLKUICESQ-WZONZLPQSA-N 0 0 427.570 3.523 50 0 IHAARN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015032126 556489144 /nfs/dbraw/zinc/48/91/44/556489144.db2.gz YRRKVDNFKINWSE-MRXNPFEDSA-N 0 0 444.373 3.805 50 0 IHAARN CCn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc2c1=O ZINC000013148674 556490011 /nfs/dbraw/zinc/49/00/11/556490011.db2.gz WZMPUNGRJPXKCC-UHFFFAOYSA-N 0 0 434.477 3.563 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)c4cccs4)C3)n2)c(OC)c1OC ZINC000015064100 556491456 /nfs/dbraw/zinc/49/14/56/556491456.db2.gz XYPPFHNFSCECST-AWEZNQCLSA-N 0 0 443.525 3.919 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000030358706 556493284 /nfs/dbraw/zinc/49/32/84/556493284.db2.gz DDNUCDMAOJCLQN-KRWDZBQOSA-N 0 0 429.563 3.589 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000030358705 556493317 /nfs/dbraw/zinc/49/33/17/556493317.db2.gz DDNUCDMAOJCLQN-QGZVFWFLSA-N 0 0 429.563 3.589 50 0 IHAARN CCn1c2ccc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cc2[nH]c(=O)c1=O ZINC000030392103 556493746 /nfs/dbraw/zinc/49/37/46/556493746.db2.gz VJXJVMNRTDWIQQ-UHFFFAOYSA-N 0 0 433.439 3.680 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1sc(CCN2CCCC2=O)nc1-c1ccccc1 ZINC000030447849 556494653 /nfs/dbraw/zinc/49/46/53/556494653.db2.gz DWJGZMVKBKGDER-UHFFFAOYSA-N 0 0 435.505 3.956 50 0 IHAARN Cc1cccn2c(CN(C)C[C@@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015072213 556496630 /nfs/dbraw/zinc/49/66/30/556496630.db2.gz BTZWDUNIPABVAZ-QFIPXVFZSA-N 0 0 434.584 3.958 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000011067933 556496683 /nfs/dbraw/zinc/49/66/83/556496683.db2.gz YXSGMGVGJAKBSV-CYBMUJFWSA-N 0 0 449.338 3.628 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000011068782 556497260 /nfs/dbraw/zinc/49/72/60/556497260.db2.gz IVISGKLXRRGQBI-ZDUSSCGKSA-N 0 0 449.338 3.628 50 0 IHAARN CCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12)C[C@H]1CCCO1 ZINC000015074767 556498460 /nfs/dbraw/zinc/49/84/60/556498460.db2.gz RYKBWHBDICZHBA-LJQANCHMSA-N 0 0 426.586 3.711 50 0 IHAARN CN(CCC1CCOCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000015079727 556500726 /nfs/dbraw/zinc/50/07/26/556500726.db2.gz FMOFYHLWQXABNT-UHFFFAOYSA-N 0 0 437.650 3.896 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1F ZINC000015092248 556503141 /nfs/dbraw/zinc/50/31/41/556503141.db2.gz PQYRXOPWDAQGTM-HOTGVXAUSA-N 0 0 434.533 3.682 50 0 IHAARN Cc1cc(Br)ccc1SCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000030779202 556505696 /nfs/dbraw/zinc/50/56/96/556505696.db2.gz CLJLBMGQPPOKRD-UHFFFAOYSA-N 0 0 439.400 3.896 50 0 IHAARN Cc1ccccc1CN(Cc1ccccc1)CN1c2cc3c(cc2C(=O)C1=O)OCCO3 ZINC000072293263 556505841 /nfs/dbraw/zinc/50/58/41/556505841.db2.gz YYWBSDGTXRBCAW-UHFFFAOYSA-N 0 0 428.488 3.955 50 0 IHAARN CCCn1c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2nc(C)c1=O ZINC000064890398 556505944 /nfs/dbraw/zinc/50/59/44/556505944.db2.gz RPQZMPRQWOEIBL-GOSISDBHSA-N 0 0 443.507 3.994 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1 ZINC000015179759 556508158 /nfs/dbraw/zinc/50/81/58/556508158.db2.gz DDQUZRZBHPGXLS-UHFFFAOYSA-N 0 0 446.569 3.726 50 0 IHAARN O=c1[nH]c2ccccc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013494431 556508538 /nfs/dbraw/zinc/50/85/38/556508538.db2.gz IWTFQMDLAQYOFV-SFHVURJKSA-N 0 0 432.929 3.551 50 0 IHAARN Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000013511245 556510190 /nfs/dbraw/zinc/51/01/90/556510190.db2.gz BHYPNZOAFGVLEJ-FQEVSTJZSA-N 0 0 435.973 3.860 50 0 IHAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000015226376 556512454 /nfs/dbraw/zinc/51/24/54/556512454.db2.gz UKKQDSSLSJKZQN-UHFFFAOYSA-N 0 0 429.520 3.701 50 0 IHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000013533424 556512915 /nfs/dbraw/zinc/51/29/15/556512915.db2.gz REBFEYDSAYRKCC-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C[C@@H](C)O1 ZINC000032895497 556515151 /nfs/dbraw/zinc/51/51/51/556515151.db2.gz MPFBRSTXNCCJNO-QINHECLXSA-N 0 0 447.988 3.897 50 0 IHAARN CSc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030938166 556515618 /nfs/dbraw/zinc/51/56/18/556515618.db2.gz VUCFXSYKZVJFNC-MRXNPFEDSA-N 0 0 426.947 3.618 50 0 IHAARN CCC(CC)[C@H](CNC(=O)c1cccc(OCc2csc(C)n2)c1)N1CCOCC1 ZINC000030942950 556516626 /nfs/dbraw/zinc/51/66/26/556516626.db2.gz LHHBHACFDOHKBI-QFIPXVFZSA-N 0 0 431.602 3.897 50 0 IHAARN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2nsnc2c1 ZINC000030948402 556517503 /nfs/dbraw/zinc/51/75/03/556517503.db2.gz MQGNSPLLNUIADK-UHFFFAOYSA-N 0 0 443.532 3.906 50 0 IHAARN COc1ccc(/C=C/C(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)cc1OC ZINC000013562070 556517845 /nfs/dbraw/zinc/51/78/45/556517845.db2.gz GCVMEXSUEGULKU-UXBLZVDNSA-N 0 0 441.524 3.599 50 0 biogenic IHAARN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955150 556517915 /nfs/dbraw/zinc/51/79/15/556517915.db2.gz GIEYKSJZVAKSRY-UHFFFAOYSA-N 0 0 434.496 3.764 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000015312837 556518501 /nfs/dbraw/zinc/51/85/01/556518501.db2.gz VQQHRGSYXFBYJV-FQEVSTJZSA-N 0 0 442.537 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011072706 556518538 /nfs/dbraw/zinc/51/85/38/556518538.db2.gz AMBMLOIRAVGZGA-DEOSSOPVSA-N 0 0 449.576 3.945 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032891177 556518964 /nfs/dbraw/zinc/51/89/64/556518964.db2.gz KWQGSTRQSBSYJP-HNNXBMFYSA-N 0 0 435.421 3.546 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011073832 556518972 /nfs/dbraw/zinc/51/89/72/556518972.db2.gz ASVSFFBKFRLWFC-GOEBONIOSA-N 0 0 442.947 3.671 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000011073848 556519026 /nfs/dbraw/zinc/51/90/26/556519026.db2.gz XZKZNCDDTGTCIB-KBPBESRZSA-N 0 0 446.910 3.502 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(C)cc1C ZINC000015318725 556519625 /nfs/dbraw/zinc/51/96/25/556519625.db2.gz IAYSUSXWMDVWFW-UHFFFAOYSA-N 0 0 432.542 3.504 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000015379612 556523556 /nfs/dbraw/zinc/52/35/56/556523556.db2.gz XEBVBKWXVFEGGI-UHFFFAOYSA-N 0 0 431.496 3.998 50 0 IHAARN Cc1ccccc1Cn1c2ccsc2c(=O)n(CCC(=O)Nc2ccc(F)cc2)c1=O ZINC000013593633 556531734 /nfs/dbraw/zinc/53/17/34/556531734.db2.gz GSBVUROTUVWDGM-UHFFFAOYSA-N 0 0 437.496 3.749 50 0 IHAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](OCc2ccccc2)C1 ZINC000013596468 556531988 /nfs/dbraw/zinc/53/19/88/556531988.db2.gz WZKOMTCMYXKINS-LJQANCHMSA-N 0 0 426.948 3.871 50 0 IHAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000032901267 556534707 /nfs/dbraw/zinc/53/47/07/556534707.db2.gz QDPNJVRJTJEZEX-UHFFFAOYSA-N 0 0 436.533 4.000 50 0 IHAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032901939 556538289 /nfs/dbraw/zinc/53/82/89/556538289.db2.gz BYPHPTLZUUKPND-OAQYLSRUSA-N 0 0 438.478 3.911 50 0 IHAARN CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 ZINC000013629396 556538617 /nfs/dbraw/zinc/53/86/17/556538617.db2.gz DEGBMHAYNWACSH-UHFFFAOYSA-N 0 0 435.502 3.692 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000013629897 556538862 /nfs/dbraw/zinc/53/88/62/556538862.db2.gz PUTPTFFCQDTWGM-IBGZPJMESA-N 0 0 443.569 3.808 50 0 IHAARN C[C@H](NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 ZINC000015634565 556539372 /nfs/dbraw/zinc/53/93/72/556539372.db2.gz UDUHCMQNCWRQOK-ZDUSSCGKSA-N 0 0 439.928 3.732 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000013633067 556539922 /nfs/dbraw/zinc/53/99/22/556539922.db2.gz HDOYQBXCHJQPKK-UHFFFAOYSA-N 0 0 439.537 3.595 50 0 IHAARN CN1CCN(C(=O)c2nn3c(nc(-c4ccc(F)cc4)cc3C(F)(F)F)c2Cl)CC1 ZINC000013634461 556540584 /nfs/dbraw/zinc/54/05/84/556540584.db2.gz HYKHOZGAMSNBGG-UHFFFAOYSA-N 0 0 441.816 3.595 50 0 IHAARN COC(=O)c1cc(-c2cnn(C)c2C)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645075 556543290 /nfs/dbraw/zinc/54/32/90/556543290.db2.gz DGFQDJZNOMNVEN-UHFFFAOYSA-N 0 0 430.390 3.669 50 0 IHAARN Cc1c(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000004435386 556545580 /nfs/dbraw/zinc/54/55/80/556545580.db2.gz PYJYFJIKAOGHGV-UHFFFAOYSA-N 0 0 425.496 3.974 50 0 IHAARN COc1ccc(CNC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000013655772 556546313 /nfs/dbraw/zinc/54/63/13/556546313.db2.gz HJWGEUCCOJWNCX-UHFFFAOYSA-N 0 0 431.444 3.869 50 0 biogenic IHAARN O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000072303113 556546883 /nfs/dbraw/zinc/54/68/83/556546883.db2.gz SIHQEWZETPVNNQ-INIZCTEOSA-N 0 0 437.446 3.992 50 0 IHAARN C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000032721579 556547202 /nfs/dbraw/zinc/54/72/02/556547202.db2.gz WHDJQPKNFWVBCB-HNNXBMFYSA-N 0 0 434.945 3.602 50 0 IHAARN COCCn1c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)nnc1-c1ccccc1 ZINC000032721562 556547229 /nfs/dbraw/zinc/54/72/29/556547229.db2.gz VHVVZHXNGWLMGB-AWEZNQCLSA-N 0 0 442.507 3.873 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cnc4ccccc4n3)cc2)cc1 ZINC000032722067 556547394 /nfs/dbraw/zinc/54/73/94/556547394.db2.gz DHYBNQSVLNURQK-UHFFFAOYSA-N 0 0 433.489 3.983 50 0 IHAARN CC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2s1 ZINC000032959527 556548046 /nfs/dbraw/zinc/54/80/46/556548046.db2.gz RCBGQITZNDWVBJ-UHFFFAOYSA-N 0 0 428.945 3.799 50 0 IHAARN O=C(NC[C@@](O)(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072304397 556548525 /nfs/dbraw/zinc/54/85/25/556548525.db2.gz GRXUOEIEIJOEPL-RLWLMLJZSA-N 0 0 448.588 3.847 50 0 IHAARN CSc1ccc(CNC(=O)CCn2cnc3onc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000032933683 556549491 /nfs/dbraw/zinc/54/94/91/556549491.db2.gz KOUVZYUGZMDPSF-UHFFFAOYSA-N 0 0 434.521 3.788 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n21 ZINC000033014380 556552987 /nfs/dbraw/zinc/55/29/87/556552987.db2.gz KRZASCUWPYGVLA-UHFFFAOYSA-N 0 0 437.500 3.985 50 0 IHAARN CSc1ncc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)n1-c1ccc(F)cc1 ZINC000032906600 556553359 /nfs/dbraw/zinc/55/33/59/556553359.db2.gz UCGIAIUVQIIHOU-HNNXBMFYSA-N 0 0 436.516 3.796 50 0 IHAARN COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccco5)CC4)n3n2)cc1 ZINC000033115800 556555678 /nfs/dbraw/zinc/55/56/78/556555678.db2.gz QBUFLXNIAKOTKN-UHFFFAOYSA-N 0 0 445.523 3.839 50 0 IHAARN CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC(N)=O)O[C@H](C)C2 ZINC000032905722 556555968 /nfs/dbraw/zinc/55/59/68/556555968.db2.gz ZMGOAZSUQCHMNY-GFCCVEGCSA-N 0 0 430.555 3.506 50 0 IHAARN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033274863 556559457 /nfs/dbraw/zinc/55/94/57/556559457.db2.gz SJOQRQYYWLADGX-UHFFFAOYSA-N 0 0 437.359 3.808 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c1 ZINC000015912257 556563112 /nfs/dbraw/zinc/56/31/12/556563112.db2.gz VYPITUPOBUQBNI-UHFFFAOYSA-N 0 0 436.489 3.670 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015919286 556563680 /nfs/dbraw/zinc/56/36/80/556563680.db2.gz VPZSSDCJGRKYCQ-KRWDZBQOSA-N 0 0 431.485 3.718 50 0 IHAARN CS(=O)(=O)Nc1cc(NC(=O)COc2ccccc2Cc2ccccc2)ccc1F ZINC000032908031 556564211 /nfs/dbraw/zinc/56/42/11/556564211.db2.gz OEDSCHOBSJIXNT-UHFFFAOYSA-N 0 0 428.485 3.806 50 0 IHAARN O=C(CN1CC[C@](O)(C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000072308484 556564986 /nfs/dbraw/zinc/56/49/86/556564986.db2.gz IMMFLRXSCZYAOX-QGZVFWFLSA-N 0 0 439.400 3.633 50 0 IHAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1OC ZINC000015971789 556570054 /nfs/dbraw/zinc/57/00/54/556570054.db2.gz OKJZJSRGAFIJLG-SQJMNOBHSA-N 0 0 428.444 3.785 50 0 IHAARN COc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OCc1ccc(Cl)cc1 ZINC000015416900 556571820 /nfs/dbraw/zinc/57/18/20/556571820.db2.gz OCQRSDMRFMHALP-UHFFFAOYSA-N 0 0 446.912 3.827 50 0 IHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016011775 556574300 /nfs/dbraw/zinc/57/43/00/556574300.db2.gz MHTIKIKXWKZYCU-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccccc1 ZINC000016024149 556575947 /nfs/dbraw/zinc/57/59/47/556575947.db2.gz JNFFSAUOOSKJIN-CYBMUJFWSA-N 0 0 443.352 3.505 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033649 556577062 /nfs/dbraw/zinc/57/70/62/556577062.db2.gz GJZVOTCXZHCVEC-IYWMVGAKSA-N 0 0 426.394 3.810 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@H](C)[C@H]4C3=O)cc2)cc1 ZINC000016034858 556577398 /nfs/dbraw/zinc/57/73/98/556577398.db2.gz PADVOKDFVJTERK-ITEAAPOESA-N 0 0 431.492 3.989 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000016034737 556577407 /nfs/dbraw/zinc/57/74/07/556577407.db2.gz YVZCMKFNYMEDKU-AFXVXQJMSA-N 0 0 439.446 3.587 50 0 IHAARN O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000016050725 556581030 /nfs/dbraw/zinc/58/10/30/556581030.db2.gz ZFKQZQOFKLQMGK-OAQYLSRUSA-N 0 0 425.529 3.681 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccccc3)ccc2Cl)C1 ZINC000016051176 556581497 /nfs/dbraw/zinc/58/14/97/556581497.db2.gz XGTMXOJUFADSMM-HNNXBMFYSA-N 0 0 435.929 3.800 50 0 IHAARN COCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 ZINC000032911088 556582183 /nfs/dbraw/zinc/58/21/83/556582183.db2.gz BMRWBGXDWUYFFJ-INIZCTEOSA-N 0 0 445.589 3.539 50 0 IHAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016085478 556582191 /nfs/dbraw/zinc/58/21/91/556582191.db2.gz PTSXSMBSGBLGQF-UHFFFAOYSA-N 0 0 440.274 3.918 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000016097357 556582732 /nfs/dbraw/zinc/58/27/32/556582732.db2.gz WUSKETSOXMZDPT-UHFFFAOYSA-N 0 0 441.553 3.922 50 0 IHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)C1 ZINC000034887468 556585558 /nfs/dbraw/zinc/58/55/58/556585558.db2.gz SQIFQHSNJXFXQG-ZHALLVOQSA-N 0 0 428.554 3.543 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000032971033 556589003 /nfs/dbraw/zinc/58/90/03/556589003.db2.gz BNJOBRSHWQHHPG-MRXNPFEDSA-N 0 0 432.876 3.883 50 0 IHAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 ZINC000032970937 556589090 /nfs/dbraw/zinc/58/90/90/556589090.db2.gz YKFUYJBGOJUHLW-FDDCHVKYSA-N 0 0 440.503 3.910 50 0 IHAARN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000032971699 556589652 /nfs/dbraw/zinc/58/96/52/556589652.db2.gz FRVSEWYKPHUFCK-CYBMUJFWSA-N 0 0 445.566 3.722 50 0 IHAARN C[C@@H](OC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl ZINC000032913717 556594610 /nfs/dbraw/zinc/59/46/10/556594610.db2.gz NGCIYIZNTYPTLE-VXGBXAGGSA-N 0 0 441.290 3.709 50 0 IHAARN Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3cc(C)ccc3O)CC2)c(C)n1C(C)C ZINC000032913733 556594868 /nfs/dbraw/zinc/59/48/68/556594868.db2.gz PNCDIQMYKOXZAI-UHFFFAOYSA-N 0 0 440.540 3.978 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 ZINC000100860573 556597754 /nfs/dbraw/zinc/59/77/54/556597754.db2.gz YJSSWOGLDXVWIF-QURGRASLSA-N 0 0 431.583 3.710 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000032975674 556600405 /nfs/dbraw/zinc/60/04/05/556600405.db2.gz XLWCULIVXYZZJH-RTBURBONSA-N 0 0 444.528 3.919 50 0 IHAARN Cc1cc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C(C)C)ccc1Br ZINC000032983378 556602075 /nfs/dbraw/zinc/60/20/75/556602075.db2.gz UPMIVVUSORAHHJ-UHFFFAOYSA-N 0 0 444.333 3.794 50 0 IHAARN COc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC(C)(C)C)cc(Br)c1OC ZINC000016361280 556602306 /nfs/dbraw/zinc/60/23/06/556602306.db2.gz URNUATMDGNIACW-CQSZACIVSA-N 0 0 443.363 3.601 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1Cl ZINC000032985973 556605563 /nfs/dbraw/zinc/60/55/63/556605563.db2.gz MFYVJKSMQJGUDR-UHFFFAOYSA-N 0 0 446.941 3.877 50 0 IHAARN O=C1Nc2c(c(=O)[nH]c(=S)n2CCc2ccccc2)C(C(F)(F)F)(C(F)(F)F)N1 ZINC000016400821 556605732 /nfs/dbraw/zinc/60/57/32/556605732.db2.gz AVDXQIWNRZBSPR-UHFFFAOYSA-N 0 0 438.353 3.604 50 0 IHAARN COc1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000032987057 556606939 /nfs/dbraw/zinc/60/69/39/556606939.db2.gz LOUOUXLLVJQVHU-UHFFFAOYSA-N 0 0 442.566 3.657 50 0 IHAARN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(F)c2)c(C(=O)OCC)c1C ZINC000016448262 556608488 /nfs/dbraw/zinc/60/84/88/556608488.db2.gz VHVRNJOGNFHPJK-UHFFFAOYSA-N 0 0 438.502 3.676 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)c1 ZINC000016475092 556610105 /nfs/dbraw/zinc/61/01/05/556610105.db2.gz BMINLVMURFZXRO-QFIPXVFZSA-N 0 0 431.536 3.586 50 0 IHAARN COc1cccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000032995427 556611214 /nfs/dbraw/zinc/61/12/14/556611214.db2.gz TZPONBIOZUVRFG-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 ZINC000016495555 556612765 /nfs/dbraw/zinc/61/27/65/556612765.db2.gz NGJMWVJSSDQTOK-FQEVSTJZSA-N 0 0 441.509 3.816 50 0 IHAARN CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000016563701 556615634 /nfs/dbraw/zinc/61/56/34/556615634.db2.gz MRZJVXBNXXTGIM-JTHBVZDNSA-N 0 0 438.524 3.617 50 0 IHAARN CCN(CC(=O)Nc1cc(OC)cc(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016588649 556616379 /nfs/dbraw/zinc/61/63/79/556616379.db2.gz DJDIIZHPTDEVEV-UHFFFAOYSA-N 0 0 439.434 3.622 50 0 IHAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c(=O)n23)cc1 ZINC000016648796 556620414 /nfs/dbraw/zinc/62/04/14/556620414.db2.gz JFTBQQOJKHLUNX-UHFFFAOYSA-N 0 0 444.560 3.689 50 0 IHAARN CSc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1C(=O)N1CCCC1 ZINC000016651910 556620661 /nfs/dbraw/zinc/62/06/61/556620661.db2.gz TWBBKHCJQNPVFZ-UHFFFAOYSA-N 0 0 436.624 3.715 50 0 IHAARN CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000016651579 556620665 /nfs/dbraw/zinc/62/06/65/556620665.db2.gz JRVXEUUGQBTEFF-UHFFFAOYSA-N 0 0 447.582 3.794 50 0 IHAARN CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O ZINC000100585221 556627127 /nfs/dbraw/zinc/62/71/27/556627127.db2.gz IULZKNJUUBQLMT-UHFFFAOYSA-N 0 0 425.510 3.548 50 0 IHAARN O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000016699437 556629396 /nfs/dbraw/zinc/62/93/96/556629396.db2.gz VIXMDZASRLHVQW-UHFFFAOYSA-N 0 0 435.407 3.775 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000016706909 556630133 /nfs/dbraw/zinc/63/01/33/556630133.db2.gz DYIDBMVBBSDGGX-UHFFFAOYSA-N 0 0 439.464 3.785 50 0 IHAARN COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000016730806 556631291 /nfs/dbraw/zinc/63/12/91/556631291.db2.gz ZOKKBAUCRVXIMO-MLIFEPNPSA-N 0 0 440.322 3.802 50 0 IHAARN CCc1nn2c(nnc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040390787 556637562 /nfs/dbraw/zinc/63/75/62/556637562.db2.gz CTQMMKPWRYNUEC-UHFFFAOYSA-N 0 0 444.882 3.706 50 0 IHAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC ZINC000016753636 556638474 /nfs/dbraw/zinc/63/84/74/556638474.db2.gz QICMYJNIKPVGNO-JOCHJYFZSA-N 0 0 437.492 3.826 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000409415199 556641669 /nfs/dbraw/zinc/64/16/69/556641669.db2.gz WPFNGTUYTLJJSF-LEWJYISDSA-N 0 0 430.508 3.562 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)CCC1CCCCC1 ZINC000011713186 556643486 /nfs/dbraw/zinc/64/34/86/556643486.db2.gz HHFKOGUKQOHGBF-UHFFFAOYSA-N 0 0 439.350 3.716 50 0 IHAARN O=c1/c(=C/c2ccc(-c3ccccc3Cl)o2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000016805833 556643644 /nfs/dbraw/zinc/64/36/44/556643644.db2.gz RTBJZPQXTSBRGM-MOSHPQCFSA-N 0 0 447.903 3.563 50 0 IHAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 ZINC000016908812 556649124 /nfs/dbraw/zinc/64/91/24/556649124.db2.gz GFNQOQNAJJXLSK-OAHLLOKOSA-N 0 0 438.509 3.731 50 0 IHAARN C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925153 556649921 /nfs/dbraw/zinc/64/99/21/556649921.db2.gz DTSYLWCBQVAMQP-KRWDZBQOSA-N 0 0 426.476 3.526 50 0 IHAARN O=C(NCCCn1nc(-c2ccncc2)ccc1=O)C1c2ccccc2Oc2ccccc21 ZINC000011746565 556650140 /nfs/dbraw/zinc/65/01/40/556650140.db2.gz NBODAQWUFKZRSR-UHFFFAOYSA-N 0 0 438.487 3.749 50 0 IHAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nccn3n2)cc1 ZINC000016954711 556650292 /nfs/dbraw/zinc/65/02/92/556650292.db2.gz QBUUHJIXDZXZFT-UHFFFAOYSA-N 0 0 448.504 3.907 50 0 IHAARN COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(C(C)=O)cc3)cs2)cc1OC ZINC000011758717 556652027 /nfs/dbraw/zinc/65/20/27/556652027.db2.gz STWBFRBJWQVKCC-UHFFFAOYSA-N 0 0 446.550 3.551 50 0 IHAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)NCc1ccccc1Cl ZINC000038770849 556653806 /nfs/dbraw/zinc/65/38/06/556653806.db2.gz PZOVLRGSECAYHQ-UHFFFAOYSA-N 0 0 425.901 3.559 50 0 IHAARN Cc1cc(C)n(-c2nc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)n1 ZINC000033004421 556654481 /nfs/dbraw/zinc/65/44/81/556654481.db2.gz BPRGMZMUOZOHNE-UHFFFAOYSA-N 0 0 449.502 3.856 50 0 IHAARN Cc1nc2scc(-c3cccc(NC(=O)COc4ccc5c(c4)OCO5)c3)n2c(=O)c1C ZINC000011773099 556655048 /nfs/dbraw/zinc/65/50/48/556655048.db2.gz OQGKMOJFOYCMOU-UHFFFAOYSA-N 0 0 449.488 3.786 50 0 IHAARN CCc1cc2c(nc(S[C@@H](C)C(=O)NC3CCCCC3)n(CCCOC)c2=O)s1 ZINC000011773674 556655094 /nfs/dbraw/zinc/65/50/94/556655094.db2.gz ZQWUXBQCSCULQK-AWEZNQCLSA-N 0 0 437.631 3.986 50 0 IHAARN CCc1nnc(NC(=O)C2(NC(=O)c3ccc(Br)cc3)CCCCC2)s1 ZINC000032926045 556655174 /nfs/dbraw/zinc/65/51/74/556655174.db2.gz ZCRRGXNALZRRMA-UHFFFAOYSA-N 0 0 437.363 3.934 50 0 IHAARN COc1ccc(NC(=O)Cn2c3ccccc3nc(-c3ccccc3NC(C)=O)c2=O)cc1 ZINC000033011877 556660178 /nfs/dbraw/zinc/66/01/78/556660178.db2.gz ACWVYUHCFXAGDF-UHFFFAOYSA-N 0 0 442.475 3.669 50 0 IHAARN Cc1cc2c([nH]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c2=O)s1 ZINC000017096722 556660669 /nfs/dbraw/zinc/66/06/69/556660669.db2.gz GTVINAGVWCONIX-UHFFFAOYSA-N 0 0 429.951 3.851 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000043546656 556662904 /nfs/dbraw/zinc/66/29/04/556662904.db2.gz ZLODGQSEXIHXBD-LRSLUSHPSA-N 0 0 428.419 3.817 50 0 IHAARN COc1ccc(CN(C)C(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 ZINC000033013804 556663874 /nfs/dbraw/zinc/66/38/74/556663874.db2.gz BGYZVNNELYAVJE-UHFFFAOYSA-N 0 0 446.507 3.876 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019082 556665799 /nfs/dbraw/zinc/66/57/99/556665799.db2.gz ADEWKNYVWYNFIG-IBGZPJMESA-N 0 0 429.524 3.814 50 0 IHAARN O=C(c1ccco1)N1CCN(c2nc(=O)c3scc(-c4ccc(Cl)cc4)c3[nH]2)CC1 ZINC000044169387 556666509 /nfs/dbraw/zinc/66/65/09/556666509.db2.gz XGNGQTFLWIOGJD-UHFFFAOYSA-N 0 0 440.912 3.860 50 0 IHAARN Cc1ccc(C)c(OCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COc2cc(C)ccc2C)c1 ZINC000017102649 556666768 /nfs/dbraw/zinc/66/67/68/556666768.db2.gz FUGXZDRQTPNBAF-SZPZYZBQSA-N 0 0 438.568 3.922 50 0 IHAARN Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011871940 556667847 /nfs/dbraw/zinc/66/78/47/556667847.db2.gz XYUOEVWDCKSEML-GFCCVEGCSA-N 0 0 434.370 3.589 50 0 IHAARN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C ZINC000248147201 556668999 /nfs/dbraw/zinc/66/89/99/556668999.db2.gz TVGKUGGUPLPVIQ-LRSLUSHPSA-N 0 0 430.504 3.826 50 0 IHAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccccc1Cl ZINC000017143975 556669702 /nfs/dbraw/zinc/66/97/02/556669702.db2.gz ICXFZTBRKGBKHK-MRXNPFEDSA-N 0 0 443.908 3.799 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000017162255 556670846 /nfs/dbraw/zinc/67/08/46/556670846.db2.gz SVCYQULFGCRADS-DZGCQCFKSA-N 0 0 440.521 3.615 50 0 IHAARN CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012007051 556680775 /nfs/dbraw/zinc/68/07/75/556680775.db2.gz PTWKXXUFRAHFIU-UHFFFAOYSA-N 0 0 442.435 3.685 50 0 IHAARN Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000010622088 556682419 /nfs/dbraw/zinc/68/24/19/556682419.db2.gz LHJCRCROKWFFGQ-UHFFFAOYSA-N 0 0 433.508 3.804 50 0 IHAARN O=C(CCS(=O)(=O)Cc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000010621614 556682434 /nfs/dbraw/zinc/68/24/34/556682434.db2.gz SFLUTWDCOZFDLN-SFHVURJKSA-N 0 0 444.578 3.813 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 ZINC000024177893 556686754 /nfs/dbraw/zinc/68/67/54/556686754.db2.gz RGXKWPMLXORDOW-UHFFFAOYSA-N 0 0 443.901 3.990 50 0 IHAARN COc1ccc(N2C(=O)C[C@@H](N3CC=C(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000018222844 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434.477 3.892 50 0 IHAARN COCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000033028292 556708928 /nfs/dbraw/zinc/70/89/28/556708928.db2.gz RCYSWADHAILRKO-UHFFFAOYSA-N 0 0 437.949 3.716 50 0 IHAARN Cc1c(Cl)cccc1N=C1NN=C(c2ccc(CCNS(C)(=O)=O)s2)CS1 ZINC000011122680 556710141 /nfs/dbraw/zinc/71/01/41/556710141.db2.gz QSPLPOMNHCVFEE-UHFFFAOYSA-N 0 0 443.019 3.721 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033032277 556712783 /nfs/dbraw/zinc/71/27/83/556712783.db2.gz AGVZURINYHUGHM-UHFFFAOYSA-N 0 0 426.473 3.745 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138556580 556718882 /nfs/dbraw/zinc/71/88/82/556718882.db2.gz HTXFPJPGGJPTLZ-IPMKNSEASA-N 0 0 432.307 3.538 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccc(Br)cc1)N1CCCN21 ZINC000138558887 556718884 /nfs/dbraw/zinc/71/88/84/556718884.db2.gz LTXBXKMAYZVNNP-RCCFBDPRSA-N 0 0 446.732 3.638 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)c1 ZINC000061717626 556723996 /nfs/dbraw/zinc/72/39/96/556723996.db2.gz HXOZOBZDNYSBEZ-UHFFFAOYSA-N 0 0 440.507 3.849 50 0 IHAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1nc2c(s1)CCCC2 ZINC000061717992 556724434 /nfs/dbraw/zinc/72/44/34/556724434.db2.gz CGLVTGHQYXUXBY-UHFFFAOYSA-N 0 0 445.342 3.647 50 0 IHAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000061719575 556726600 /nfs/dbraw/zinc/72/66/00/556726600.db2.gz DGTNGRPBRONREW-UHFFFAOYSA-N 0 0 443.334 3.566 50 0 IHAARN C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000061719894 556726894 /nfs/dbraw/zinc/72/68/94/556726894.db2.gz KMBQODFIMPJYIV-HNNXBMFYSA-N 0 0 425.920 3.680 50 0 IHAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1ccc(Cl)cc1 ZINC000072331004 556728705 /nfs/dbraw/zinc/72/87/05/556728705.db2.gz BLRFZQSLIOJXIU-UHFFFAOYSA-N 0 0 445.640 3.505 50 0 IHAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3N2)c1 ZINC000000884041 556734313 /nfs/dbraw/zinc/73/43/13/556734313.db2.gz ZXUNBFXBUDOGMM-QZTJIDSGSA-N 0 0 431.418 3.877 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000019298364 556734796 /nfs/dbraw/zinc/73/47/96/556734796.db2.gz UFIFJXLJLKLGTI-UHFFFAOYSA-N 0 0 435.480 3.999 50 0 IHAARN COc1cc2ncn(CCCC(=O)Nc3cccc(-c4nc(C)co4)c3)c(=O)c2cc1OC ZINC000079102760 556737360 /nfs/dbraw/zinc/73/73/60/556737360.db2.gz ZPEJXWZEMAGWCR-UHFFFAOYSA-N 0 0 448.479 3.796 50 0 IHAARN COCCCn1c(CN(C)Cc2cccc(Cl)c2)cnc1S(=O)(=O)C1CCCC1 ZINC000055245517 556738925 /nfs/dbraw/zinc/73/89/25/556738925.db2.gz UIMXVTDZVPANHN-UHFFFAOYSA-N 0 0 440.009 3.921 50 0 IHAARN CCCNc1nnc(SCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)s1 ZINC000019353397 556744923 /nfs/dbraw/zinc/74/49/23/556744923.db2.gz BOURDKCBIBOYPK-UHFFFAOYSA-N 0 0 441.626 3.950 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3SCC(=O)N(C)C)o2)cc1 ZINC000019354239 556745185 /nfs/dbraw/zinc/74/51/85/556745185.db2.gz NGZCIWMFMHAFJZ-AWEZNQCLSA-N 0 0 441.509 3.844 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(nnc(-c3ccccc3)c2=O)s1 ZINC000072333604 556749854 /nfs/dbraw/zinc/74/98/54/556749854.db2.gz SKOBVFWXZMABNZ-UHFFFAOYSA-N 0 0 428.521 3.801 50 0 IHAARN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000057996508 556751814 /nfs/dbraw/zinc/75/18/14/556751814.db2.gz APHNVLSREYDQGY-IIYDPXPESA-N 0 0 427.530 3.816 50 0 IHAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011163295 556759674 /nfs/dbraw/zinc/75/96/74/556759674.db2.gz YRHLLAQGSBAOJA-UHFFFAOYSA-N 0 0 432.611 3.990 50 0 IHAARN CC(=O)Nc1sc2c(c1[C@@H](c1cccc(Cl)c1)N1CCN(CCO)CC1)CCCC2 ZINC000096300452 556759802 /nfs/dbraw/zinc/75/98/02/556759802.db2.gz RPRYFZGVQUZOGP-JOCHJYFZSA-N 0 0 448.032 3.938 50 0 IHAARN COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(C(=O)N2CCCC2)cc1OC ZINC000058133691 556760573 /nfs/dbraw/zinc/76/05/73/556760573.db2.gz FUPPTNZLPMUBKW-QFBILLFUSA-N 0 0 433.549 3.657 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)CC(=O)N4)cc2)c1 ZINC000058158494 556763518 /nfs/dbraw/zinc/76/35/18/556763518.db2.gz ZJHKRQWOPMAMMC-UHFFFAOYSA-N 0 0 449.532 3.529 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1 ZINC000062007360 556765666 /nfs/dbraw/zinc/76/56/66/556765666.db2.gz ZXLOWBUAARSNNH-UHFFFAOYSA-N 0 0 428.492 3.757 50 0 IHAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 ZINC000062022877 556766286 /nfs/dbraw/zinc/76/62/86/556766286.db2.gz MXEPZBQFCPJUJS-ZDUSSCGKSA-N 0 0 439.932 3.781 50 0 IHAARN C[C@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058169863 556767783 /nfs/dbraw/zinc/76/77/83/556767783.db2.gz IVXXXFMEIIPONZ-BTYIYWSLSA-N 0 0 443.956 3.694 50 0 IHAARN O=C(CN1CCC(c2nc(-c3ccccn3)no2)CC1)Nc1ccccc1Br ZINC000058244226 556774826 /nfs/dbraw/zinc/77/48/26/556774826.db2.gz DUVCENYNQBRMKC-UHFFFAOYSA-N 0 0 442.317 3.712 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000058245637 556775275 /nfs/dbraw/zinc/77/52/75/556775275.db2.gz IFSDLKIRSPHQEJ-UHFFFAOYSA-N 0 0 433.493 3.629 50 0 IHAARN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000058312348 556780134 /nfs/dbraw/zinc/78/01/34/556780134.db2.gz WCDUNZXTKJKEQM-CABCVRRESA-N 0 0 425.367 3.737 50 0 IHAARN CCCCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000058313877 556780418 /nfs/dbraw/zinc/78/04/18/556780418.db2.gz NVADDKYMGHMQET-QFIPXVFZSA-N 0 0 434.540 3.846 50 0 IHAARN COC(=O)CCN(Cc1ccccc1)Cn1nc(-c2cc(Cl)ccc2OC)[nH]c1=S ZINC000058341296 556781794 /nfs/dbraw/zinc/78/17/94/556781794.db2.gz QIAKRNVYTOUZHB-UHFFFAOYSA-N 0 0 446.960 3.919 50 0 IHAARN COc1ccc(NC(=O)c2cnc3c(C)cc(Br)cc3c2O)cc1NC(C)=O ZINC000058357028 556782650 /nfs/dbraw/zinc/78/26/50/556782650.db2.gz KHURQHTUAXWNRJ-UHFFFAOYSA-N 0 0 444.285 3.818 50 0 IHAARN CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)ccc21 ZINC000058376875 556783794 /nfs/dbraw/zinc/78/37/94/556783794.db2.gz IRYFEAQYOPASAE-GASCZTMLSA-N 0 0 426.492 3.992 50 0 IHAARN Cc1ncc(CN(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000058392349 556784861 /nfs/dbraw/zinc/78/48/61/556784861.db2.gz KRYZQVQMDSSVHM-UHFFFAOYSA-N 0 0 428.967 3.553 50 0 IHAARN O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000058402517 556785405 /nfs/dbraw/zinc/78/54/05/556785405.db2.gz PJLMCMOPZZEENE-AUUYWEPGSA-N 0 0 438.471 3.766 50 0 IHAARN Cc1sc(=O)n(CC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1-c1ccc(F)cc1 ZINC000058434358 556788228 /nfs/dbraw/zinc/78/82/28/556788228.db2.gz LZHXYXBLHTUEBR-UHFFFAOYSA-N 0 0 440.475 3.666 50 0 IHAARN CC[C@@](C)(CNC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1)N1CCOCC1 ZINC000058438748 556788709 /nfs/dbraw/zinc/78/87/09/556788709.db2.gz WVDWJRVWGRREQB-QFIPXVFZSA-N 0 0 436.984 3.589 50 0 IHAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000011196605 556798354 /nfs/dbraw/zinc/79/83/54/556798354.db2.gz HBHVRTSIBQHPIC-UHFFFAOYSA-N 0 0 438.553 3.794 50 0 IHAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000059374071 556799273 /nfs/dbraw/zinc/79/92/73/556799273.db2.gz XDAFTQYJFJAYNW-QGZVFWFLSA-N 0 0 446.617 3.929 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000002650317 556802188 /nfs/dbraw/zinc/80/21/88/556802188.db2.gz IWIIOXSGSVRWSK-PKNBQFBNSA-N 0 0 434.286 3.853 50 0 IHAARN CC1CCN(c2ccc(C(=O)N3CCCCC3)cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000033053339 556803962 /nfs/dbraw/zinc/80/39/62/556803962.db2.gz JDDSWTQUEZZKAB-UHFFFAOYSA-N 0 0 447.645 3.970 50 0 IHAARN CCOC(=O)c1c(NC(=O)COC(=O)Cc2cccc(OC)c2)sc2c1CCCC2 ZINC000003240650 556806481 /nfs/dbraw/zinc/80/64/81/556806481.db2.gz CYXNHMMIAYLSLK-UHFFFAOYSA-N 0 0 431.510 3.537 50 0 IHAARN O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(OC(F)F)cc1 ZINC000003282252 556808524 /nfs/dbraw/zinc/80/85/24/556808524.db2.gz XGBLFVHYMZTSBK-UHFFFAOYSA-N 0 0 447.175 3.688 50 0 IHAARN COCCn1c(SCC(=O)c2ccccc2Br)nnc1-c1ccncc1 ZINC000003303318 556808897 /nfs/dbraw/zinc/80/88/97/556808897.db2.gz AUPAXMJOKVEVIU-UHFFFAOYSA-N 0 0 433.331 3.724 50 0 IHAARN COCCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000011202329 556809911 /nfs/dbraw/zinc/80/99/11/556809911.db2.gz FBTRXKUQYAYQJG-KRWDZBQOSA-N 0 0 439.299 3.915 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003352261 556813836 /nfs/dbraw/zinc/81/38/36/556813836.db2.gz MQSDBXGQZLNZEU-ZDUSSCGKSA-N 0 0 448.306 3.975 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1F ZINC000097943833 556814590 /nfs/dbraw/zinc/81/45/90/556814590.db2.gz ZDRYDRJDJADUFX-JOCHJYFZSA-N 0 0 429.879 3.514 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097944081 556814906 /nfs/dbraw/zinc/81/49/06/556814906.db2.gz PNXPEZVKAQGJPX-QHCPKHFHSA-N 0 0 436.531 3.580 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1n[nH]c(-c2ccccc2Br)n1 ZINC000003416546 556815000 /nfs/dbraw/zinc/81/50/00/556815000.db2.gz IJFGKRUVJLWNAF-UHFFFAOYSA-N 0 0 429.299 3.623 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CSc1ccccc1C ZINC000060388031 556817534 /nfs/dbraw/zinc/81/75/34/556817534.db2.gz SGMKGIGMDKEEEV-GOSISDBHSA-N 0 0 429.538 3.793 50 0 IHAARN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)Nc1ccc2c(c1)OCO2 ZINC000033061446 556818277 /nfs/dbraw/zinc/81/82/77/556818277.db2.gz HEIOCAPSGRXINQ-UHFFFAOYSA-N 0 0 430.873 3.744 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063203 556818529 /nfs/dbraw/zinc/81/85/29/556818529.db2.gz OOSGNGALFHBSLC-UZUQRXQVSA-N 0 0 435.549 3.840 50 0 IHAARN Cc1cc(Br)c(O)c(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)c1 ZINC000062386970 556820622 /nfs/dbraw/zinc/82/06/22/556820622.db2.gz HKUVTURHCGTATH-UHFFFAOYSA-N 0 0 439.331 3.950 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)c(C)c1 ZINC000064579509 556824846 /nfs/dbraw/zinc/82/48/46/556824846.db2.gz KZBLNLNNEBFGCB-UHFFFAOYSA-N 0 0 447.513 3.502 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)NC[C@H](C)c4ccccc4)nnc3c2=O)c1 ZINC000064591553 556825243 /nfs/dbraw/zinc/82/52/43/556825243.db2.gz GCVFBIKGDIYLCP-FQEVSTJZSA-N 0 0 443.551 3.740 50 0 IHAARN CCOCCCNC(=O)c1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000064816985 556827755 /nfs/dbraw/zinc/82/77/55/556827755.db2.gz QNRJYTAEMMPYOM-UHFFFAOYSA-N 0 0 428.558 3.999 50 0 IHAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc32)cc1 ZINC000065002609 556831061 /nfs/dbraw/zinc/83/10/61/556831061.db2.gz ANOXBNLQYVGUPY-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN COc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)nn2-c2ccccc2)c1 ZINC000019625157 556831931 /nfs/dbraw/zinc/83/19/31/556831931.db2.gz LOQIYZMNYNWFRZ-UHFFFAOYSA-N 0 0 428.448 3.602 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc(C)n2)n1 ZINC000065365311 556835939 /nfs/dbraw/zinc/83/59/39/556835939.db2.gz ZXBGVQWEVMBCMP-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN Cc1ccc(OCc2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1C ZINC000065365688 556836243 /nfs/dbraw/zinc/83/62/43/556836243.db2.gz DRFHLKNYGGCQRE-UHFFFAOYSA-N 0 0 434.569 3.704 50 0 IHAARN O=C(/C=C/c1ccc(Br)s1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000014702281 556841982 /nfs/dbraw/zinc/84/19/82/556841982.db2.gz KHCDHCILZQUPCB-ZZXKWVIFSA-N 0 0 431.237 3.902 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCCc1cccs1 ZINC000008723431 556843524 /nfs/dbraw/zinc/84/35/24/556843524.db2.gz LEGAPJHCCNOSAD-UHFFFAOYSA-N 0 0 435.574 3.957 50 0 IHAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008766753 556845981 /nfs/dbraw/zinc/84/59/81/556845981.db2.gz VCNKXBMRWQZXDJ-QMMMGPOBSA-N 0 0 439.868 3.521 50 0 IHAARN COc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)OC2=O)cc1OC ZINC000008868449 556851504 /nfs/dbraw/zinc/85/15/04/556851504.db2.gz YTCUYLRYXYQONQ-OAHLLOKOSA-N 0 0 439.390 3.870 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCc3cc(OC)ccc3OC)C2)s1 ZINC000033078384 556853487 /nfs/dbraw/zinc/85/34/87/556853487.db2.gz WULKUKCOPULGPS-HNNXBMFYSA-N 0 0 440.569 3.804 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)c2c1 ZINC000033088015 556855681 /nfs/dbraw/zinc/85/56/81/556855681.db2.gz JMNSUVHFBGAFPC-UHFFFAOYSA-N 0 0 433.552 3.729 50 0 IHAARN CCOc1ccc(CC(=O)N2CCN(c3nc4ccccc4n3CC)CC2)cc1OCC ZINC000033106651 556859504 /nfs/dbraw/zinc/85/95/04/556859504.db2.gz YSOWXVZKYSURIP-UHFFFAOYSA-N 0 0 436.556 3.745 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033125359 556866583 /nfs/dbraw/zinc/86/65/83/556866583.db2.gz RULXEHNBBXPZRU-OAHLLOKOSA-N 0 0 427.888 3.917 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1 ZINC000033125687 556866586 /nfs/dbraw/zinc/86/65/86/556866586.db2.gz RWUZZZYKFQOUCP-OAHLLOKOSA-N 0 0 427.888 3.917 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CCCCC2)c1=O ZINC000033141571 556878077 /nfs/dbraw/zinc/87/80/77/556878077.db2.gz JIOYMWRECAFCFC-UHFFFAOYSA-N 0 0 446.551 3.725 50 0 IHAARN O=C(N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019800069 556917359 /nfs/dbraw/zinc/91/73/59/556917359.db2.gz NCLSRMNJNUCELB-DGCLKSJQSA-N 0 0 430.557 3.644 50 0 IHAARN COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c1 ZINC000033249431 556889307 /nfs/dbraw/zinc/88/93/07/556889307.db2.gz OYGYUXQLQVHVTH-UHFFFAOYSA-N 0 0 430.913 3.966 50 0 IHAARN Cc1ccc2[nH]cc(CCNC(=O)CC3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 ZINC000033254503 556890595 /nfs/dbraw/zinc/89/05/95/556890595.db2.gz AKHHGXAGMNZQQD-UHFFFAOYSA-N 0 0 439.581 3.626 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)C1 ZINC000033249837 556891082 /nfs/dbraw/zinc/89/10/82/556891082.db2.gz TZFYYXUOIYCSHB-MRXNPFEDSA-N 0 0 426.904 3.798 50 0 IHAARN O=C(NCc1ccco1)c1ccc2c(c1)nc(N1CCCCC1)n(-c1ccccc1)c2=O ZINC000033251263 556892118 /nfs/dbraw/zinc/89/21/18/556892118.db2.gz NVMMZFLJNGWLRY-UHFFFAOYSA-N 0 0 428.492 3.899 50 0 IHAARN O=C(NCCc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033252015 556892457 /nfs/dbraw/zinc/89/24/57/556892457.db2.gz ZGAJAYDWFHLXJU-LJQANCHMSA-N 0 0 441.380 3.896 50 0 IHAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)COc3ccc(Cl)cc3)no2)c1 ZINC000033252691 556893230 /nfs/dbraw/zinc/89/32/30/556893230.db2.gz MQLDKRHJNRDSRP-UHFFFAOYSA-N 0 0 429.904 3.999 50 0 IHAARN COc1cc(OC)c(OC)cc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC000019781606 556913485 /nfs/dbraw/zinc/91/34/85/556913485.db2.gz SQJSCOPQJGUYDO-UHFFFAOYSA-N 0 0 435.362 3.793 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 ZINC000019796734 556916307 /nfs/dbraw/zinc/91/63/07/556916307.db2.gz ZORRFQXUKDRSPE-OAQYLSRUSA-N 0 0 441.915 3.807 50 0 IHAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 ZINC000019860744 556933169 /nfs/dbraw/zinc/93/31/69/556933169.db2.gz MPUGCYLAUSACEQ-KRWDZBQOSA-N 0 0 436.961 3.919 50 0 IHAARN CCCCS(=O)(=O)Nc1cc2c(cc1C)n(S(=O)(=O)CCCC)c(C)c2C(C)=O ZINC000019923862 556944227 /nfs/dbraw/zinc/94/42/27/556944227.db2.gz BAAGNRAYHMIGEF-UHFFFAOYSA-N 0 0 442.603 3.981 50 0 IHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000072446756 556973479 /nfs/dbraw/zinc/97/34/79/556973479.db2.gz VPLLCENKBRGHCF-IBGZPJMESA-N 0 0 441.578 3.773 50 0 IHAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)C1 ZINC000033264340 556973957 /nfs/dbraw/zinc/97/39/57/556973957.db2.gz HALWUTPBSYUOCO-QHCPKHFHSA-N 0 0 434.584 3.946 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2Cc2ccccc2)cc1C ZINC000033265282 556975207 /nfs/dbraw/zinc/97/52/07/556975207.db2.gz DTMBLIQJSLINFZ-UHFFFAOYSA-N 0 0 433.537 3.526 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3cn(C)nc3c(=O)n2CCC(C)C)c(Cl)c1 ZINC000033265335 556975583 /nfs/dbraw/zinc/97/55/83/556975583.db2.gz DIBMAWBBIIDOFR-UHFFFAOYSA-N 0 0 433.965 3.869 50 0 IHAARN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000097002124 556978714 /nfs/dbraw/zinc/97/87/14/556978714.db2.gz LCZBSTINICQSCO-MRXNPFEDSA-N 0 0 449.320 3.687 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000033268390 556983853 /nfs/dbraw/zinc/98/38/53/556983853.db2.gz OCLLRHYNZQQGFP-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000097096792 556984357 /nfs/dbraw/zinc/98/43/57/556984357.db2.gz RLDCLYMTHRJBBT-UHFFFAOYSA-N 0 0 425.838 3.913 50 0 IHAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2SC)CC1 ZINC000096889843 556987891 /nfs/dbraw/zinc/98/78/91/556987891.db2.gz OYDVZAWFBNWCDF-GOSISDBHSA-N 0 0 433.961 3.519 50 0 IHAARN COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000020149706 556990978 /nfs/dbraw/zinc/99/09/78/556990978.db2.gz NVIRVLKCEMVQSW-DHIUTWEWSA-N 0 0 442.556 3.879 50 0 IHAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000097137509 556991619 /nfs/dbraw/zinc/99/16/19/556991619.db2.gz MUENIQBBJJCOIG-GOSISDBHSA-N 0 0 442.475 3.923 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000097165834 556994804 /nfs/dbraw/zinc/99/48/04/556994804.db2.gz YVLMDQLQRRYENL-UHFFFAOYSA-N 0 0 442.924 3.796 50 0 IHAARN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000023074911 556995336 /nfs/dbraw/zinc/99/53/36/556995336.db2.gz TWTDGGQRVALANW-QFIPXVFZSA-N 0 0 438.531 3.928 50 0 IHAARN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)o1 ZINC000077010570 556995543 /nfs/dbraw/zinc/99/55/43/556995543.db2.gz RGMWJXFFYIJTSL-NRFANRHFSA-N 0 0 434.540 3.507 50 0 IHAARN O=C(NC[C@@H](c1cccc2ccccc21)N1CCOCC1)c1ccc(Br)o1 ZINC000023106445 557001256 /nfs/dbraw/zinc/00/12/56/557001256.db2.gz ONPJEAJBGIVZPJ-SFHVURJKSA-N 0 0 429.314 3.999 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)c1 ZINC000023108964 557003721 /nfs/dbraw/zinc/00/37/21/557003721.db2.gz BOJYPWQJKHFXOI-UHFFFAOYSA-N 0 0 435.509 3.660 50 0 IHAARN COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccccc4C)c3=O)n2)cc1OC ZINC000023125863 557007637 /nfs/dbraw/zinc/00/76/37/557007637.db2.gz XYQGUCXUHUWKBZ-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 ZINC000011258592 557009620 /nfs/dbraw/zinc/00/96/20/557009620.db2.gz SWLFYCSTRHWGLS-UHFFFAOYSA-N 0 0 438.553 3.728 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccccc4c(=O)n(CCc4ccccc4)c3=O)n2)c1 ZINC000023126925 557011678 /nfs/dbraw/zinc/01/16/78/557011678.db2.gz LQZBJMPOCWRRKT-UHFFFAOYSA-N 0 0 438.487 3.813 50 0 IHAARN Cc1nn(CCC(=O)Nc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000045998163 557015689 /nfs/dbraw/zinc/01/56/89/557015689.db2.gz KLYDVZIOLOTSPM-UHFFFAOYSA-N 0 0 438.981 3.603 50 0 IHAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010687847 557017710 /nfs/dbraw/zinc/01/77/10/557017710.db2.gz SSOFZWHRRSNVCR-UHFFFAOYSA-N 0 0 439.537 3.949 50 0 IHAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000023136985 557019136 /nfs/dbraw/zinc/01/91/36/557019136.db2.gz BRPNBPMAQJTIMF-QGZVFWFLSA-N 0 0 437.521 3.776 50 0 IHAARN CCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000023136685 557019227 /nfs/dbraw/zinc/01/92/27/557019227.db2.gz JYNWVZYGWFGTEP-UHFFFAOYSA-N 0 0 431.539 3.870 50 0 IHAARN CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2C)oc(C)c1C(C)=O ZINC000010710361 557019451 /nfs/dbraw/zinc/01/94/51/557019451.db2.gz FVCJECVMGKBBKG-UHFFFAOYSA-N 0 0 448.526 3.555 50 0 IHAARN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2F)n1)N1CCN(c2ccccc2)CC1 ZINC000023138338 557021380 /nfs/dbraw/zinc/02/13/80/557021380.db2.gz SPOPJVHYNFAZFE-UHFFFAOYSA-N 0 0 438.528 3.505 50 0 IHAARN COc1ccc(CCNC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)cc1 ZINC000023138353 557021422 /nfs/dbraw/zinc/02/14/22/557021422.db2.gz OPPUVQXRYJCTLN-UHFFFAOYSA-N 0 0 427.501 3.524 50 0 IHAARN Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000023138661 557022011 /nfs/dbraw/zinc/02/20/11/557022011.db2.gz GCCDAXLRMNHDKJ-IBGZPJMESA-N 0 0 448.592 3.823 50 0 IHAARN COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccc(F)cc4)CC3)s2)o1 ZINC000023139858 557022806 /nfs/dbraw/zinc/02/28/06/557022806.db2.gz JSQYRGUTLLUMCQ-UHFFFAOYSA-N 0 0 434.518 3.676 50 0 IHAARN CCn1nc(-c2ccc(C)c(S(=O)(=O)N(C)c3ccccc3)c2)c2c(c1=O)CCCC2 ZINC000046027566 557023446 /nfs/dbraw/zinc/02/34/46/557023446.db2.gz KXRQAIMJRXEWFC-UHFFFAOYSA-N 0 0 437.565 3.943 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000046027719 557023982 /nfs/dbraw/zinc/02/39/82/557023982.db2.gz KREHPZBKLYJRRH-KRWDZBQOSA-N 0 0 443.613 3.792 50 0 IHAARN Cc1ccn2c(=O)cc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)nc2c1 ZINC000046031574 557024486 /nfs/dbraw/zinc/02/44/86/557024486.db2.gz KNJHPFXNVGTRFB-UHFFFAOYSA-N 0 0 427.486 3.538 50 0 IHAARN COc1cc2ncn(CCCC(=O)N[C@H]3CCSc4ccccc43)c(=O)c2cc1OC ZINC000010758070 557024616 /nfs/dbraw/zinc/02/46/16/557024616.db2.gz BZYYFFFVHXQVDM-KRWDZBQOSA-N 0 0 439.537 3.547 50 0 IHAARN NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 ZINC000023142739 557025041 /nfs/dbraw/zinc/02/50/41/557025041.db2.gz SFKVUJVXEUMBOQ-QGZVFWFLSA-N 0 0 435.915 3.751 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000010772647 557025851 /nfs/dbraw/zinc/02/58/51/557025851.db2.gz NCQQDYQGRNNDEQ-UHFFFAOYSA-N 0 0 443.594 3.823 50 0 IHAARN CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21 ZINC000046053838 557027086 /nfs/dbraw/zinc/02/70/86/557027086.db2.gz JQLHEXXZPIVSMC-UHFFFAOYSA-N 0 0 431.945 3.596 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCCC(C)C)cc3nc2N2CCOCC2)cc1C ZINC000032945115 557028306 /nfs/dbraw/zinc/02/83/06/557028306.db2.gz IMVZBJMMFDCJJS-UHFFFAOYSA-N 0 0 448.567 3.615 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)cc12 ZINC000032945389 557029027 /nfs/dbraw/zinc/02/90/27/557029027.db2.gz UOKTVYHVFHBRCO-UHFFFAOYSA-N 0 0 440.569 3.568 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000046075157 557031503 /nfs/dbraw/zinc/03/15/03/557031503.db2.gz NKORBPBBMMKPOP-HNNXBMFYSA-N 0 0 440.912 3.780 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074909 557031507 /nfs/dbraw/zinc/03/15/07/557031507.db2.gz ZZDXYBFDQRDPSO-MRXNPFEDSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 ZINC000046075253 557031513 /nfs/dbraw/zinc/03/15/13/557031513.db2.gz MKXADNBFKVZUTN-HNNXBMFYSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(CSc1nc2ccccc2s1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023156391 557032035 /nfs/dbraw/zinc/03/20/35/557032035.db2.gz MFFMVQMIUHZYBO-SFHVURJKSA-N 0 0 431.558 3.717 50 0 IHAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OCC(N)=O ZINC000046076870 557032725 /nfs/dbraw/zinc/03/27/25/557032725.db2.gz ZBJPLENLPXKATK-HNNXBMFYSA-N 0 0 426.469 3.901 50 0 IHAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000011277407 557033300 /nfs/dbraw/zinc/03/33/00/557033300.db2.gz TVURGCUCJDVHOY-UHFFFAOYSA-N 0 0 426.498 3.514 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)C1 ZINC000046080080 557035591 /nfs/dbraw/zinc/03/55/91/557035591.db2.gz YDIYLHRRTBUXMH-QFIPXVFZSA-N 0 0 449.551 3.934 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)c(OC)c3)on1)CCC2 ZINC000046086526 557035819 /nfs/dbraw/zinc/03/58/19/557035819.db2.gz BSEJZWBRBCNYPM-UHFFFAOYSA-N 0 0 428.466 3.948 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000046122572 557036300 /nfs/dbraw/zinc/03/63/00/557036300.db2.gz ZPQWLPVTIGRUFX-HNNXBMFYSA-N 0 0 440.500 3.958 50 0 IHAARN O=C(COc1ccccc1F)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017191212 557036985 /nfs/dbraw/zinc/03/69/85/557036985.db2.gz ALHRFMZYPLHMIM-UHFFFAOYSA-N 0 0 440.496 3.985 50 0 IHAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)NC3CCCCC3)c3ccccc32)C[C@H](C)O1 ZINC000017246612 557041668 /nfs/dbraw/zinc/04/16/68/557041668.db2.gz OPXVKFBFANXIDI-HDICACEKSA-N 0 0 443.613 3.818 50 0 IHAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000109645132 557042986 /nfs/dbraw/zinc/04/29/86/557042986.db2.gz KMVBRSXVCODIGM-UHFFFAOYSA-N 0 0 433.365 3.570 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000046145151 557043262 /nfs/dbraw/zinc/04/32/62/557043262.db2.gz BJGBNNALMBXHIA-UHFFFAOYSA-N 0 0 426.460 3.597 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000051357801 557045236 /nfs/dbraw/zinc/04/52/36/557045236.db2.gz YBKYONQMOKKNHW-UHFFFAOYSA-N 0 0 431.467 3.552 50 0 IHAARN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000051358004 557045244 /nfs/dbraw/zinc/04/52/44/557045244.db2.gz QWBPHKWWHCIILE-UHFFFAOYSA-N 0 0 434.876 3.648 50 0 IHAARN O=c1[nH]c(CSc2ncccn2)nc2c(Br)cc(Br)cc12 ZINC000010861410 557045489 /nfs/dbraw/zinc/04/54/89/557045489.db2.gz GYVZEDGWAMFLGZ-UHFFFAOYSA-N 0 0 428.109 3.530 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)n1 ZINC000017297076 557047184 /nfs/dbraw/zinc/04/71/84/557047184.db2.gz OOWJHZZZSUQPRA-UHFFFAOYSA-N 0 0 449.891 3.504 50 0 IHAARN S=c1[nH]c(-c2ccccc2Br)nn1CN1CCN(Cc2ccccn2)CC1 ZINC000022924641 557048305 /nfs/dbraw/zinc/04/83/05/557048305.db2.gz IZIRWBASFQGLHY-UHFFFAOYSA-N 0 0 445.390 3.540 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)c1 ZINC000033271044 557048592 /nfs/dbraw/zinc/04/85/92/557048592.db2.gz XRDFOIMSLAQUHA-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN Cc1cccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4cccnc4)n3)no2)c1C ZINC000033271042 557048626 /nfs/dbraw/zinc/04/86/26/557048626.db2.gz GTLWEWJDVGUEMG-UHFFFAOYSA-N 0 0 435.513 3.730 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000048249333 557048700 /nfs/dbraw/zinc/04/87/00/557048700.db2.gz IXUUHYBKCBTMPP-NRFANRHFSA-N 0 0 438.547 3.770 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NCc2cccnc2OC2CCCC2)C1 ZINC000048231043 557048938 /nfs/dbraw/zinc/04/89/38/557048938.db2.gz YEPBMRSVRXCEFB-FQEVSTJZSA-N 0 0 439.531 3.640 50 0 IHAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 ZINC000048262261 557049932 /nfs/dbraw/zinc/04/99/32/557049932.db2.gz BMCZFZCTOFICFN-APWZRJJASA-N 0 0 443.569 3.661 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000048265578 557050884 /nfs/dbraw/zinc/05/08/84/557050884.db2.gz IQHRQTAUMGBJSE-KRWDZBQOSA-N 0 0 428.554 3.864 50 0 IHAARN O=C(NCc1cccnc1OC1CCCC1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000048290464 557054987 /nfs/dbraw/zinc/05/49/87/557054987.db2.gz JBWDHFMZQGGSFJ-UHFFFAOYSA-N 0 0 443.569 3.508 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)cc1 ZINC000048290690 557055423 /nfs/dbraw/zinc/05/54/23/557055423.db2.gz RMYIEJHKZUJWBW-UHFFFAOYSA-N 0 0 440.550 3.859 50 0 IHAARN O=C(CCc1ccccc1)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000048279179 557057147 /nfs/dbraw/zinc/05/71/47/557057147.db2.gz IMMNULKFSPGWHP-UHFFFAOYSA-N 0 0 440.487 3.698 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023012932 557057449 /nfs/dbraw/zinc/05/74/49/557057449.db2.gz FAELKINQNQYQHQ-UHFFFAOYSA-N 0 0 427.888 3.918 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)c(C)c1 ZINC000033277194 557058734 /nfs/dbraw/zinc/05/87/34/557058734.db2.gz SXGPLOKLMRSBDB-UHFFFAOYSA-N 0 0 441.601 3.565 50 0 IHAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCCC[C@H]2C)cn3C2CC2)CC1 ZINC000051364363 557059300 /nfs/dbraw/zinc/05/93/00/557059300.db2.gz RAVNLFNRZYYARS-QGZVFWFLSA-N 0 0 440.563 3.632 50 0 IHAARN COC(=O)c1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1Cl ZINC000023042482 557059520 /nfs/dbraw/zinc/05/95/20/557059520.db2.gz AYWJDWMNQHAFCM-UHFFFAOYSA-N 0 0 433.869 3.946 50 0 IHAARN CCN(CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000023074425 557061486 /nfs/dbraw/zinc/06/14/86/557061486.db2.gz DFXTUAQIECZUIQ-INIZCTEOSA-N 0 0 432.362 3.600 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(CN2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)cc1 ZINC000033280363 557062868 /nfs/dbraw/zinc/06/28/68/557062868.db2.gz RMHXGIJBKQRBJF-GOSISDBHSA-N 0 0 445.567 3.759 50 0 IHAARN COc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)cc1Cl ZINC000023095778 557063165 /nfs/dbraw/zinc/06/31/65/557063165.db2.gz FZGHVAKNWDRYEH-UHFFFAOYSA-N 0 0 438.355 3.767 50 0 IHAARN CCSc1nnc(SCC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)s1 ZINC000023103591 557063473 /nfs/dbraw/zinc/06/34/73/557063473.db2.gz RUHUABFNZGWZGC-AWEZNQCLSA-N 0 0 436.584 3.566 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)nc(N3CCC[C@H](C)C3)c3ccccc32)cc1Cl ZINC000033287353 557064103 /nfs/dbraw/zinc/06/41/03/557064103.db2.gz OWZKTVGDMDSMAA-HNNXBMFYSA-N 0 0 440.931 3.934 50 0 IHAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1cccc(OC)c1 ZINC000023119161 557064782 /nfs/dbraw/zinc/06/47/82/557064782.db2.gz MIBSBSAHHBTPNG-UHFFFAOYSA-N 0 0 448.548 3.829 50 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/nfs/dbraw/zinc/07/01/39/557070139.db2.gz GFZJSPWMHFKOJW-PDGQHHTCSA-N 0 0 442.493 3.865 50 0 IHAARN Cc1occc1C(=O)N1CCN(Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000048354166 557072606 /nfs/dbraw/zinc/07/26/06/557072606.db2.gz CDZDUBXXWBWWEA-UHFFFAOYSA-N 0 0 442.519 3.689 50 0 IHAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H](c1ccccc1)n1cccn1 ZINC000048356006 557072925 /nfs/dbraw/zinc/07/29/25/557072925.db2.gz LITWZLVBSSKGEV-FQEVSTJZSA-N 0 0 444.944 3.549 50 0 IHAARN CC(C)n1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc2c1=O ZINC000023222865 557074195 /nfs/dbraw/zinc/07/41/95/557074195.db2.gz WCZCNPTYAJJCEA-AWEZNQCLSA-N 0 0 445.566 3.712 50 0 IHAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000048362716 557074555 /nfs/dbraw/zinc/07/45/55/557074555.db2.gz ZMHPQEBESKQQLH-INIZCTEOSA-N 0 0 433.430 3.694 50 0 IHAARN COc1cc2[nH]c3c(ncnc3SCC(=O)N3CCc4ccccc4C3)c2cc1OC ZINC000033298683 557074639 /nfs/dbraw/zinc/07/46/39/557074639.db2.gz ZXFULUVCXPLZDC-UHFFFAOYSA-N 0 0 434.521 3.805 50 0 IHAARN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000048374135 557075566 /nfs/dbraw/zinc/07/55/66/557075566.db2.gz MAWJCGZYDDLZEE-UTKZUKDTSA-N 0 0 427.957 3.991 50 0 IHAARN Cc1cc(C)n(-c2cccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)c2)n1 ZINC000048368808 557076090 /nfs/dbraw/zinc/07/60/90/557076090.db2.gz CJDYYYSHKONJKO-UHFFFAOYSA-N 0 0 444.582 3.978 50 0 IHAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000011283897 557077339 /nfs/dbraw/zinc/07/73/39/557077339.db2.gz MBKNQYWXITYGLH-IAGOWNOFSA-N 0 0 438.499 3.587 50 0 IHAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000085813159 557077387 /nfs/dbraw/zinc/07/73/87/557077387.db2.gz SSERHSBKWNNKCY-MRXNPFEDSA-N 0 0 445.610 3.625 50 0 IHAARN Cc1cccc(NC(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)c1 ZINC000049002105 557081709 /nfs/dbraw/zinc/08/17/09/557081709.db2.gz KZINEVAZCRNDSW-UHFFFAOYSA-N 0 0 426.476 3.904 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(Cc4ccccc4)c3=O)n2)c1 ZINC000048985897 557081931 /nfs/dbraw/zinc/08/19/31/557081931.db2.gz UVGSQKCGMOHQGX-UHFFFAOYSA-N 0 0 430.489 3.680 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 ZINC000048986432 557082309 /nfs/dbraw/zinc/08/23/09/557082309.db2.gz IYDBUPZKEKUCBZ-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN Cc1ccc(NC(=O)CSc2nccnc2N2CCSCC2)c(Br)c1 ZINC000048987255 557082602 /nfs/dbraw/zinc/08/26/02/557082602.db2.gz IALXBZFIHLXNJT-UHFFFAOYSA-N 0 0 439.404 3.832 50 0 IHAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccc(C)o2)s1 ZINC000033306566 557085678 /nfs/dbraw/zinc/08/56/78/557085678.db2.gz GNDAQVWEEXMTEO-VQHVLOKHSA-N 0 0 435.527 3.943 50 0 IHAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000033308160 557087878 /nfs/dbraw/zinc/08/78/78/557087878.db2.gz BZXNPHZLYXLHTJ-INIZCTEOSA-N 0 0 425.558 3.675 50 0 IHAARN O=C(CNC(=O)Cc1ccccc1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308237 557088242 /nfs/dbraw/zinc/08/82/42/557088242.db2.gz JHGJUOPTBFQVTR-UHFFFAOYSA-N 0 0 442.475 3.613 50 0 IHAARN COc1ccc(OCc2noc(CNC(=O)CSc3nc4ccccc4s3)n2)cc1 ZINC000049027130 557088332 /nfs/dbraw/zinc/08/83/32/557088332.db2.gz MVGWQBNBPWGOGE-UHFFFAOYSA-N 0 0 442.522 3.675 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc(CCc2nc3ccccc3s2)o1 ZINC000049029024 557088628 /nfs/dbraw/zinc/08/86/28/557088628.db2.gz VGVIBTOTRPIRCB-UHFFFAOYSA-N 0 0 440.550 3.882 50 0 IHAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCc2ccccc2C1 ZINC000023381328 557089134 /nfs/dbraw/zinc/08/91/34/557089134.db2.gz MKTUEDNLEZNUFY-UHFFFAOYSA-N 0 0 425.532 3.778 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000049002419 557090157 /nfs/dbraw/zinc/09/01/57/557090157.db2.gz QMOUIVNGYLTTGQ-UHFFFAOYSA-N 0 0 434.427 3.742 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c(OC)c1 ZINC000049002560 557090436 /nfs/dbraw/zinc/09/04/36/557090436.db2.gz SCXFBNOIVCZWLI-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)n2c3ccccc3nc21 ZINC000023411207 557091239 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COc1cc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc(OC)c1 ZINC000049403338 557098848 /nfs/dbraw/zinc/09/88/48/557098848.db2.gz WTWLMAHJLNWRTL-UHFFFAOYSA-N 0 0 440.475 3.711 50 0 IHAARN COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc1OC ZINC000049403207 557098861 /nfs/dbraw/zinc/09/88/61/557098861.db2.gz OKAFTQGZSHLHCQ-UHFFFAOYSA-N 0 0 436.512 3.880 50 0 IHAARN Cc1ccc(-c2noc(C3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)n2)cc1 ZINC000049403553 557099156 /nfs/dbraw/zinc/09/91/56/557099156.db2.gz AJZMXTMWDJZNHD-UHFFFAOYSA-N 0 0 445.567 3.573 50 0 IHAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(OC)c3)c3cccc(F)c3)cccn12 ZINC000049404893 557099835 /nfs/dbraw/zinc/09/98/35/557099835.db2.gz ZTVSZLOADSSMBL-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000049404452 557099846 /nfs/dbraw/zinc/09/98/46/557099846.db2.gz LZODIZINRATKGG-UHFFFAOYSA-N 0 0 436.310 3.912 50 0 IHAARN Cc1nc(-c2cc3ccccc3nc2N2CCN(C(=O)COc3ccc(C)cc3)CC2)no1 ZINC000033318235 557099839 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IOSFSXYDHYAADC-CYBMUJFWSA-N 0 0 447.928 3.583 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3F)c3ccc(F)c(F)c3)cn12 ZINC000049408582 557103741 /nfs/dbraw/zinc/10/37/41/557103741.db2.gz YEJOCNABOVJIDU-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cc1ccc(N2CN(CC(=O)Nc3cc(C)cc(C)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411453 557106633 /nfs/dbraw/zinc/10/66/33/557106633.db2.gz LATNIGLDXZMUAJ-UHFFFAOYSA-N 0 0 436.537 3.745 50 0 IHAARN CCCCc1c(C)n(CC(=O)Nc2ccccc2OC)c2nc(-c3ccccc3)nn2c1=O ZINC000033324706 557106624 /nfs/dbraw/zinc/10/66/24/557106624.db2.gz XJMHSVDVKJZRCK-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN CCCCc1c(C)n(CC(=O)NCc2ccccc2)c2nc(-c3ccccc3)nn2c1=O ZINC000033324708 557106655 /nfs/dbraw/zinc/10/66/55/557106655.db2.gz JRWSAIRXENBLKV-UHFFFAOYSA-N 0 0 429.524 3.525 50 0 IHAARN CCc1cccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c1 ZINC000049411575 557106841 /nfs/dbraw/zinc/10/68/41/557106841.db2.gz MDKHIEYDPBXOHH-UHFFFAOYSA-N 0 0 440.500 3.522 50 0 IHAARN CSc1ccc(N2C(=O)N(Cc3c(C)noc3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049420953 557107463 /nfs/dbraw/zinc/10/74/63/557107463.db2.gz CTJLKWKLQZCMOC-UHFFFAOYSA-N 0 0 430.511 3.871 50 0 IHAARN Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000033326595 557108380 /nfs/dbraw/zinc/10/83/80/557108380.db2.gz MHQVCCNFLQCDGM-GOSISDBHSA-N 0 0 439.555 3.689 50 0 IHAARN Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 ZINC000049421741 557108611 /nfs/dbraw/zinc/10/86/11/557108611.db2.gz JQBMVNDADRKRSY-UHFFFAOYSA-N 0 0 437.525 3.646 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000049421779 557108669 /nfs/dbraw/zinc/10/86/69/557108669.db2.gz JHSZXNQPFKHPKN-UHFFFAOYSA-N 0 0 435.509 3.918 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(cccc3Cl)s2)CC1 ZINC000049432828 557110193 /nfs/dbraw/zinc/11/01/93/557110193.db2.gz OGXLUQJIJDNCDC-UHFFFAOYSA-N 0 0 443.912 3.928 50 0 IHAARN COc1cccc(N2c3c(sc(=O)n3C)[C@H](c3ccc(OC)c(OC)c3)CC2=O)c1 ZINC000049546772 557111739 /nfs/dbraw/zinc/11/17/39/557111739.db2.gz OYEFEZNRSONLPA-INIZCTEOSA-N 0 0 426.494 3.673 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1c(F)cccc1F ZINC000049547197 557112196 /nfs/dbraw/zinc/11/21/96/557112196.db2.gz JFTFFRUFCBQTFU-ZDUSSCGKSA-N 0 0 448.422 3.700 50 0 IHAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000049547765 557112381 /nfs/dbraw/zinc/11/23/81/557112381.db2.gz ABFHUGWAWGRGKI-UHFFFAOYSA-N 0 0 443.334 3.566 50 0 IHAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000049550831 557113297 /nfs/dbraw/zinc/11/32/97/557113297.db2.gz QZLCLGCVAAHDCP-ZDUSSCGKSA-N 0 0 428.901 3.762 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000023754960 557114241 /nfs/dbraw/zinc/11/42/41/557114241.db2.gz NELLUZKRAXPXAR-UHFFFAOYSA-N 0 0 443.594 3.634 50 0 IHAARN C[C@H](NCC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccc(F)c(F)c1 ZINC000049600790 557114807 /nfs/dbraw/zinc/11/48/07/557114807.db2.gz RVHOKBYQFSRMRV-INIZCTEOSA-N 0 0 427.451 3.876 50 0 IHAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)C)C2=O)cc1 ZINC000010930808 557116435 /nfs/dbraw/zinc/11/64/35/557116435.db2.gz IXQCNKRIAJHQNZ-OFNKIYASSA-N 0 0 427.570 3.981 50 0 IHAARN CCOc1c(Br)cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000023805002 557116800 /nfs/dbraw/zinc/11/68/00/557116800.db2.gz GMINDDXOFXXQPN-UHFFFAOYSA-N 0 0 433.346 3.814 50 0 IHAARN O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000023805854 557117370 /nfs/dbraw/zinc/11/73/70/557117370.db2.gz NADSLABQPLCAOE-UHFFFAOYSA-N 0 0 438.018 3.660 50 0 IHAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SC[C@@H]1CCCO1 ZINC000023805785 557117394 /nfs/dbraw/zinc/11/73/94/557117394.db2.gz GJHJTKWECXWNHL-NRFANRHFSA-N 0 0 426.582 3.720 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccc(I)c3)c2C(N)=O)C1 ZINC000001070470 557118768 /nfs/dbraw/zinc/11/87/68/557118768.db2.gz DEYRAMGPKBKRLI-SECBINFHSA-N 0 0 440.306 3.829 50 0 IHAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1I ZINC000001070937 557118778 /nfs/dbraw/zinc/11/87/78/557118778.db2.gz HDCLGYFMZBLSMW-UHFFFAOYSA-N 0 0 426.279 3.735 50 0 IHAARN Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@H]1CCCCN31 ZINC000049749970 557118886 /nfs/dbraw/zinc/11/88/86/557118886.db2.gz HNRZMLRLNGETIV-RLWLMLJZSA-N 0 0 446.551 3.856 50 0 IHAARN COc1ccc(OCCN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 ZINC000023882755 557123369 /nfs/dbraw/zinc/12/33/69/557123369.db2.gz ADIWIUDINKDELK-UHFFFAOYSA-N 0 0 446.551 3.595 50 0 IHAARN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000000645243 557124447 /nfs/dbraw/zinc/12/44/47/557124447.db2.gz AAHLPKSFJVDRKS-UHFFFAOYSA-N 0 0 435.505 3.933 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000023908141 557124721 /nfs/dbraw/zinc/12/47/21/557124721.db2.gz HVYLJUSJYJWCED-UHFFFAOYSA-N 0 0 449.576 3.754 50 0 IHAARN CSCC[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064709 557127488 /nfs/dbraw/zinc/12/74/88/557127488.db2.gz WHUSFAGRYYWFAT-MRXNPFEDSA-N 0 0 433.327 3.806 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000000656204 557129660 /nfs/dbraw/zinc/12/96/60/557129660.db2.gz IXWIBKYQBASPJZ-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN O=C(Nc1cccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1)c1cccs1 ZINC000024033758 557132645 /nfs/dbraw/zinc/13/26/45/557132645.db2.gz HQPWSLZVEMRPRX-UHFFFAOYSA-N 0 0 441.534 3.793 50 0 IHAARN O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)COc1ccc(Br)cc1 ZINC000024085389 557135897 /nfs/dbraw/zinc/13/58/97/557135897.db2.gz KWNXKHGQJVBBFS-HNNXBMFYSA-N 0 0 434.311 3.551 50 0 IHAARN O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1CCCN1CCOCC1 ZINC000024099758 557136911 /nfs/dbraw/zinc/13/69/11/557136911.db2.gz XDXLIJAMBYNUTK-SFHVURJKSA-N 0 0 436.375 3.799 50 0 IHAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN2CCOCC2)cc1 ZINC000024102731 557137457 /nfs/dbraw/zinc/13/74/57/557137457.db2.gz KVMUAVWRNPDDQB-UHFFFAOYSA-N 0 0 429.524 3.840 50 0 IHAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)N5CCCCC5)C4)sc3n2)cc1 ZINC000006876796 557138244 /nfs/dbraw/zinc/13/82/44/557138244.db2.gz PDJBHCPLFKOPOE-QGZVFWFLSA-N 0 0 425.558 3.695 50 0 IHAARN CCOc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc(OCC)c1OCC ZINC000004196044 557141693 /nfs/dbraw/zinc/14/16/93/557141693.db2.gz FFYKTEGGAUQFLE-UHFFFAOYSA-N 0 0 445.468 3.708 50 0 IHAARN CC(=O)N(C(C)=O)c1ccc(-c2cnc(-c3ccc(N(C(C)=O)C(C)=O)cc3)nc2)cc1 ZINC000003146361 557144326 /nfs/dbraw/zinc/14/43/26/557144326.db2.gz XRXAGXSYYSDVFS-UHFFFAOYSA-N 0 0 430.464 3.609 50 0 IHAARN Nc1ccc(C(=O)N2NC(C(F)(F)F)=C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000000713256 557145035 /nfs/dbraw/zinc/14/50/35/557145035.db2.gz PQGLETPGCQDPFC-MRXNPFEDSA-N 0 0 428.208 3.641 50 0 IHAARN CNC(=O)CCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000092047079 557145047 /nfs/dbraw/zinc/14/50/47/557145047.db2.gz MZEDMIUNMOVQAC-HSZRJFAPSA-N 0 0 427.548 3.750 50 0 IHAARN CCCCn1c2nc(-c3ccc(-c4ccc(F)cc4)s3)n(CCOC)c2c(=O)[nH]c1=O ZINC000010945771 557145377 /nfs/dbraw/zinc/14/53/77/557145377.db2.gz XFRYEARCFLMADV-UHFFFAOYSA-N 0 0 442.516 3.867 50 0 IHAARN COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)ccc1N1CCCC1=O ZINC000011445820 557148618 /nfs/dbraw/zinc/14/86/18/557148618.db2.gz ZISIEPOODKWBOI-OAQYLSRUSA-N 0 0 443.931 3.869 50 0 IHAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1OC1CCCC1 ZINC000024505733 557149166 /nfs/dbraw/zinc/14/91/66/557149166.db2.gz LGFJXDZREGXCFT-UHFFFAOYSA-N 0 0 432.542 3.632 50 0 IHAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000024536966 557150788 /nfs/dbraw/zinc/15/07/88/557150788.db2.gz CJYIPPVIBNPXTK-UHFFFAOYSA-N 0 0 429.517 3.971 50 0 IHAARN CSCC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247554456 557153484 /nfs/dbraw/zinc/15/34/84/557153484.db2.gz WXIDZAJCTGYTRL-NJDAHSKKSA-N 0 0 443.613 3.912 50 0 IHAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCO[C@H](C)C1 ZINC000011497287 557153822 /nfs/dbraw/zinc/15/38/22/557153822.db2.gz AORWVYUTWCGTFF-KGLIPLIRSA-N 0 0 429.567 3.521 50 0 IHAARN COc1cc(Br)c(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1OC ZINC000000725423 557154220 /nfs/dbraw/zinc/15/42/20/557154220.db2.gz CBNZLLVULSOFHY-LZYBPNLTSA-N 0 0 445.269 3.769 50 0 IHAARN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613356 557155745 /nfs/dbraw/zinc/15/57/45/557155745.db2.gz JMRLBOWHGXZCAE-UHFFFAOYSA-N 0 0 438.952 3.680 50 0 IHAARN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 ZINC000024612963 557155763 /nfs/dbraw/zinc/15/57/63/557155763.db2.gz HKKGEJCBHKMPAE-UHFFFAOYSA-N 0 0 434.533 3.793 50 0 IHAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1Cn1cccn1 ZINC000024624435 557156401 /nfs/dbraw/zinc/15/64/01/557156401.db2.gz SWZKONCKHJAVIM-AHRSHGDUSA-N 0 0 448.611 3.905 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1F ZINC000024705504 557159475 /nfs/dbraw/zinc/15/94/75/557159475.db2.gz GINRPNVLUQIFOP-UHFFFAOYSA-N 0 0 446.434 3.632 50 0 IHAARN O=C(CCc1cc(Br)ccc1OC(F)F)N[C@H]1CCN(c2ccccn2)C1 ZINC000206827478 557163099 /nfs/dbraw/zinc/16/30/99/557163099.db2.gz UCALHKRLGUGLPS-HNNXBMFYSA-N 0 0 440.288 3.773 50 0 IHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nc2ccccc2s1 ZINC000024756143 557163246 /nfs/dbraw/zinc/16/32/46/557163246.db2.gz FENWGAGZKGIUPP-UHFFFAOYSA-N 0 0 442.566 3.834 50 0 IHAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000206805752 557165312 /nfs/dbraw/zinc/16/53/12/557165312.db2.gz XGCFUAFTLZWRIB-NHYWBVRUSA-N 0 0 448.299 3.516 50 0 IHAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024785241 557167789 /nfs/dbraw/zinc/16/77/89/557167789.db2.gz TYFPQSMULMKUIE-OAHLLOKOSA-N 0 0 446.488 3.783 50 0 IHAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000024829466 557169752 /nfs/dbraw/zinc/16/97/52/557169752.db2.gz SZFDAIIYQPAHKL-UHFFFAOYSA-N 0 0 436.506 3.987 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCc2ccccc21 ZINC000000755449 557170040 /nfs/dbraw/zinc/17/00/40/557170040.db2.gz GFNFXWFOVQUJOB-UHFFFAOYSA-N 0 0 439.537 3.701 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 ZINC000024829846 557170036 /nfs/dbraw/zinc/17/00/36/557170036.db2.gz OQUJBYGTNAZOOL-UHFFFAOYSA-N 0 0 444.553 3.678 50 0 IHAARN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024830501 557170389 /nfs/dbraw/zinc/17/03/89/557170389.db2.gz KIIYHTJJGGEOOR-LJQANCHMSA-N 0 0 428.558 3.889 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000024843601 557173938 /nfs/dbraw/zinc/17/39/38/557173938.db2.gz XLFVGRDFTNSGKF-SJORKVTESA-N 0 0 445.519 3.646 50 0 IHAARN CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4cccc(OC)c4o3)n2C)s1 ZINC000008884748 557177761 /nfs/dbraw/zinc/17/77/61/557177761.db2.gz RJZGEQLMEFGZNA-SNVBAGLBSA-N 0 0 444.542 3.770 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2N(C)C(C)C)C1 ZINC000096210535 557183213 /nfs/dbraw/zinc/18/32/13/557183213.db2.gz GEXHHCZXUZLVPR-KRWDZBQOSA-N 0 0 428.508 3.543 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc(Cl)c1OCC(=O)N(C)C ZINC000097987598 557183941 /nfs/dbraw/zinc/18/39/41/557183941.db2.gz WJXFCXRESQQILH-WOJGMQOQSA-N 0 0 442.899 3.859 50 0 IHAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cccc(Br)c2)cs1 ZINC000024989467 557187391 /nfs/dbraw/zinc/18/73/91/557187391.db2.gz ZSKOJFOUOSLSEL-UHFFFAOYSA-N 0 0 435.324 3.917 50 0 IHAARN Cc1sc2[nH]c(C(=Cc3cnn(-c4ccccc4)c3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000097998085 557187759 /nfs/dbraw/zinc/18/77/59/557187759.db2.gz KNSMBTOOHQNCMB-UNOMPAQXSA-N 0 0 445.548 3.950 50 0 IHAARN Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000009582312 557190419 /nfs/dbraw/zinc/19/04/19/557190419.db2.gz HBHZOFGTRSJPMY-UHFFFAOYSA-N 0 0 440.916 3.992 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCCC1 ZINC000009616679 557192105 /nfs/dbraw/zinc/19/21/05/557192105.db2.gz JAQCEEHSULFIJO-MRXNPFEDSA-N 0 0 429.590 3.717 50 0 IHAARN CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(C(=O)OC)ccc3n2CCOC)cc1 ZINC000100872447 557193838 /nfs/dbraw/zinc/19/38/38/557193838.db2.gz RPJKFMYYWYLBHU-VHXPQNKSSA-N 0 0 441.553 3.723 50 0 IHAARN C[C@@H](OC(=O)Cn1cnc2sccc2c1=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000025073076 557194534 /nfs/dbraw/zinc/19/45/34/557194534.db2.gz VANQPRLFGDLOQM-OAHLLOKOSA-N 0 0 433.489 3.695 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)CC1 ZINC000025081194 557194925 /nfs/dbraw/zinc/19/49/25/557194925.db2.gz FSNBCNNDLPFZSA-UHFFFAOYSA-N 0 0 436.512 3.572 50 0 IHAARN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000793003 557200023 /nfs/dbraw/zinc/20/00/23/557200023.db2.gz RROCHKSLZYKSJH-UHFFFAOYSA-N 0 0 429.325 3.575 50 0 IHAARN CSCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 ZINC000025316836 557203514 /nfs/dbraw/zinc/20/35/14/557203514.db2.gz IRQFNSAFRUTZOZ-YJBOKZPZSA-N 0 0 426.542 3.619 50 0 IHAARN O=C(NC(=S)NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000025325914 557204228 /nfs/dbraw/zinc/20/42/28/557204228.db2.gz IUMSDUYEOJRBNU-OAHLLOKOSA-N 0 0 444.409 3.733 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100949074 557206199 /nfs/dbraw/zinc/20/61/99/557206199.db2.gz PMKYGGLEQLWWKE-UTKZUKDTSA-N 0 0 441.553 3.510 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)nc2)cc1 ZINC000023309180 557208262 /nfs/dbraw/zinc/20/82/62/557208262.db2.gz PSHBNBXACGWHRA-UHFFFAOYSA-N 0 0 428.536 3.924 50 0 IHAARN CCOC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000018012615 557209292 /nfs/dbraw/zinc/20/92/92/557209292.db2.gz DYHRYOSNSYNLKV-UHFFFAOYSA-N 0 0 439.390 3.864 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1sccc1-c1ccccc1 ZINC000010986426 557211488 /nfs/dbraw/zinc/21/14/88/557211488.db2.gz PNCHJUHEVWUGMD-UHFFFAOYSA-N 0 0 426.469 3.808 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1Br ZINC000010988806 557211506 /nfs/dbraw/zinc/21/15/06/557211506.db2.gz LJSPDWFHDHHWTG-CYBMUJFWSA-N 0 0 434.309 3.784 50 0 IHAARN Cc1ccc(OCCSc2ncn(-c3nc(NC(C)C)nc(NC(C)C)n3)n2)cc1 ZINC000025496473 557212280 /nfs/dbraw/zinc/21/22/80/557212280.db2.gz NFWSWQFCNWINDM-UHFFFAOYSA-N 0 0 428.566 3.572 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000247748941 557213735 /nfs/dbraw/zinc/21/37/35/557213735.db2.gz SJFZQUUYRDTERQ-UDGWLPKNSA-N 0 0 429.513 3.870 50 0 IHAARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000101035648 557215019 /nfs/dbraw/zinc/21/50/19/557215019.db2.gz UHGQAPCZNUQPLW-XDOYNYLZSA-N 0 0 429.523 3.717 50 0 IHAARN COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000011635194 557217692 /nfs/dbraw/zinc/21/76/92/557217692.db2.gz WPYJSOTVZOIKDS-UHFFFAOYSA-N 0 0 449.120 3.799 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 ZINC000011646458 557219485 /nfs/dbraw/zinc/21/94/85/557219485.db2.gz XDDJYEFKAXXSPM-DEOSSOPVSA-N 0 0 434.492 3.726 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1nc3ccccc3n1C(F)F)C2=O ZINC000025619502 557219626 /nfs/dbraw/zinc/21/96/26/557219626.db2.gz LVKHCJYXQVOQLW-UHFFFAOYSA-N 0 0 427.407 3.859 50 0 IHAARN Cc1nc(SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C(N)=O)c(C)c1C ZINC000025629795 557220088 /nfs/dbraw/zinc/22/00/88/557220088.db2.gz IWLPUCLYKDJUDR-UHFFFAOYSA-N 0 0 430.570 3.527 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1 ZINC000032949582 557227395 /nfs/dbraw/zinc/22/73/95/557227395.db2.gz CWCUXZJKZLZSLC-UHFFFAOYSA-N 0 0 440.500 3.615 50 0 IHAARN COc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)c(OC)c1 ZINC000000809743 557228826 /nfs/dbraw/zinc/22/88/26/557228826.db2.gz AASLTURVOXRYLO-UHFFFAOYSA-N 0 0 432.476 3.934 50 0 IHAARN O=C(Cn1cnc2ccsc2c1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000026019520 557232235 /nfs/dbraw/zinc/23/22/35/557232235.db2.gz AEXHOJROLAOQNZ-UHFFFAOYSA-N 0 0 439.518 3.524 50 0 IHAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)cn2n1 ZINC000011693463 557232538 /nfs/dbraw/zinc/23/25/38/557232538.db2.gz XDEKPVUVZWDALG-UHFFFAOYSA-N 0 0 448.479 3.991 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1c(F)cccc1F ZINC000011693921 557232974 /nfs/dbraw/zinc/23/29/74/557232974.db2.gz KDNORPRQXUAIAB-UHFFFAOYSA-N 0 0 429.814 3.532 50 0 IHAARN O=C(CSCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026061496 557233337 /nfs/dbraw/zinc/23/33/37/557233337.db2.gz LTRUAJTVJWGQMJ-UHFFFAOYSA-N 0 0 433.580 3.609 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 ZINC000026090227 557234326 /nfs/dbraw/zinc/23/43/26/557234326.db2.gz PCPSVIBYNFQMDP-UHFFFAOYSA-N 0 0 437.546 3.864 50 0 IHAARN O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000098208332 557234599 /nfs/dbraw/zinc/23/45/99/557234599.db2.gz AQTPWCUIYUOEMG-INIZCTEOSA-N 0 0 428.492 3.775 50 0 in-vitro IHAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4cc(OC)cc(OC)c4)CC3)n[nH]2)cc1 ZINC000098212754 557235706 /nfs/dbraw/zinc/23/57/06/557235706.db2.gz NDUKEQVVLOHTEW-UHFFFAOYSA-N 0 0 436.512 3.501 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(OC(F)(F)F)c4)CC3)n[nH]2)cc1 ZINC000098212559 557235712 /nfs/dbraw/zinc/23/57/12/557235712.db2.gz ONJVRPAIHLVAAA-UHFFFAOYSA-N 0 0 446.429 3.946 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)N[C@]3(CCCN(C(=O)c4ccccc4Cl)C3)C2=O)c1 ZINC000583649074 557240002 /nfs/dbraw/zinc/24/00/02/557240002.db2.gz UQOFXEVNUPHCAF-QHCPKHFHSA-N 0 0 425.916 3.684 50 0 IHAARN O=C(NCc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1)Nc1cccc(Cl)c1 ZINC000583649846 557240584 /nfs/dbraw/zinc/24/05/84/557240584.db2.gz YFSFQGBUZYFKMX-HNNXBMFYSA-N 0 0 425.876 3.561 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC[C@@]2(C1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000583648966 557241960 /nfs/dbraw/zinc/24/19/60/557241960.db2.gz GHFTVHBSKOZZPS-NRFANRHFSA-N 0 0 432.307 3.720 50 0 IHAARN C[C@H]1c2cccn2CCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000026474214 557242281 /nfs/dbraw/zinc/24/22/81/557242281.db2.gz CONPMDMFPOWUBV-ZDUSSCGKSA-N 0 0 442.869 3.634 50 0 IHAARN CCOc1ccc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)cc1OCC ZINC000026534000 557243515 /nfs/dbraw/zinc/24/35/15/557243515.db2.gz PZDCFHDNHGKERC-LDADJPATSA-N 0 0 427.913 3.817 50 0 IHAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018159261 557243787 /nfs/dbraw/zinc/24/37/87/557243787.db2.gz QBRWSSZSUDHTHM-ZRBLBEILSA-N 0 0 448.450 3.981 50 0 IHAARN O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026926958 557251702 /nfs/dbraw/zinc/25/17/02/557251702.db2.gz VXDUIOBGTVZMJP-UHFFFAOYSA-N 0 0 443.503 3.614 50 0 IHAARN CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000026947414 557252128 /nfs/dbraw/zinc/25/21/28/557252128.db2.gz YXSRDKNPPFIGKU-NTEUORMPSA-N 0 0 436.986 3.820 50 0 IHAARN CCCn1c(CSc2ncnc3ccsc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000026960618 557252442 /nfs/dbraw/zinc/25/24/42/557252442.db2.gz NWILWARMDFEDIR-UHFFFAOYSA-N 0 0 447.611 3.994 50 0 IHAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cnn1-c1ccccc1 ZINC000027029806 557255949 /nfs/dbraw/zinc/25/59/49/557255949.db2.gz VLARXZOMMIMYAQ-UHFFFAOYSA-N 0 0 436.493 3.505 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 ZINC000027063093 557256327 /nfs/dbraw/zinc/25/63/27/557256327.db2.gz CNJYFLXIOPWNOH-GOSISDBHSA-N 0 0 439.581 3.509 50 0 IHAARN CSCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000101119430 557256959 /nfs/dbraw/zinc/25/69/59/557256959.db2.gz FRXDGBFYCYILMK-VLGSPTGOSA-N 0 0 447.028 3.925 50 0 IHAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Oc1ccc2cc(Br)ccc2c1 ZINC000027148335 557258279 /nfs/dbraw/zinc/25/82/79/557258279.db2.gz FBYULLKQMSXHEX-UHFFFAOYSA-N 0 0 439.265 3.601 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000011021017 557258805 /nfs/dbraw/zinc/25/88/05/557258805.db2.gz NQJURZUXBYTZQF-ZDUSSCGKSA-N 0 0 429.933 3.583 50 0 IHAARN O=C(NCCN1CCN(c2ccccc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953220 557259133 /nfs/dbraw/zinc/25/91/33/557259133.db2.gz VGBUCCLSTYOXME-UHFFFAOYSA-N 0 0 437.547 3.849 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000027241611 557259238 /nfs/dbraw/zinc/25/92/38/557259238.db2.gz GFSQRNGRELUXDJ-UHFFFAOYSA-N 0 0 436.896 3.559 50 0 IHAARN C[C@@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000027438972 557262098 /nfs/dbraw/zinc/26/20/98/557262098.db2.gz KFWKDSOXXCZYKP-GOSISDBHSA-N 0 0 437.559 3.776 50 0 IHAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101148233 557262314 /nfs/dbraw/zinc/26/23/14/557262314.db2.gz QBRWSSZSUDHTHM-ZLNRFVROSA-N 0 0 448.450 3.981 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1=NN(C(C)C)C(=O)CC1)CC2 ZINC000072271680 557264096 /nfs/dbraw/zinc/26/40/96/557264096.db2.gz WDVDZMICNBPQRN-JOCHJYFZSA-N 0 0 441.553 3.626 50 0 IHAARN CCOc1ccc(-c2nc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cs2)cc1 ZINC000027556110 557265214 /nfs/dbraw/zinc/26/52/14/557265214.db2.gz CWAQOFBSSRQZJF-CQSZACIVSA-N 0 0 429.567 3.807 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101221423 557265986 /nfs/dbraw/zinc/26/59/86/557265986.db2.gz IYRVNKAGCDPRBN-ZLNRFVROSA-N 0 0 445.450 3.835 50 0 IHAARN O=C1C[C@H](N(Cc2ccco2)C(=S)NCCc2ccccc2)C(=O)N1c1ccccc1 ZINC000100609041 557265940 /nfs/dbraw/zinc/26/59/40/557265940.db2.gz SLHDGCGPLJLXPG-NRFANRHFSA-N 0 0 433.533 3.531 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2N2CCOCC2)cc1 ZINC000100630502 557266644 /nfs/dbraw/zinc/26/66/44/557266644.db2.gz IELBPIQZIPCVHE-SFTDATJTSA-N 0 0 447.535 3.764 50 0 IHAARN Cc1cccnc1NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000027652203 557268536 /nfs/dbraw/zinc/26/85/36/557268536.db2.gz WSCSSNSTSDDPOK-UHFFFAOYSA-N 0 0 439.493 3.604 50 0 IHAARN CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000014974459 557282216 /nfs/dbraw/zinc/28/22/16/557282216.db2.gz VQYQMJFIOOAMSK-UHFFFAOYSA-N 0 0 443.975 3.756 50 0 IHAARN O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000101294045 557285792 /nfs/dbraw/zinc/28/57/92/557285792.db2.gz YSSHHCWKAKAHJL-IAGOWNOFSA-N 0 0 436.413 3.699 50 0 IHAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cc(Cl)ccc1Cl ZINC000011665756 557291421 /nfs/dbraw/zinc/29/14/21/557291421.db2.gz PGBGOFJHMKGTMV-UHFFFAOYSA-N 0 0 434.670 3.926 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000101628200 557292935 /nfs/dbraw/zinc/29/29/35/557292935.db2.gz DECGURWDURJORX-CALCHBBNSA-N 0 0 430.501 3.610 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1cccc(OC)c1 ZINC000101712004 557294593 /nfs/dbraw/zinc/29/45/93/557294593.db2.gz NKMOXNNUOLJSNF-NRFANRHFSA-N 0 0 441.553 3.846 50 0 IHAARN COCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2sc(C)c(C)c2c1=O ZINC000014067042 557295144 /nfs/dbraw/zinc/29/51/44/557295144.db2.gz LCYPWYXYCMYJSJ-UHFFFAOYSA-N 0 0 448.566 3.713 50 0 IHAARN O=c1cc(CNc2cccc(C(F)(F)F)c2)nc2[nH]c(NCc3ccc(F)cc3)nn21 ZINC000101796492 557298581 /nfs/dbraw/zinc/29/85/81/557298581.db2.gz GRULZSMWRPJOAB-UHFFFAOYSA-N 0 0 432.381 3.800 50 0 IHAARN O=C(NCCc1cccs1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828547 557300116 /nfs/dbraw/zinc/30/01/16/557300116.db2.gz OQCZPAFADYZMGE-UHFFFAOYSA-N 0 0 432.480 3.992 50 0 IHAARN Cc1ccc(NC(=O)CCc2c(C)nc3[nH]c(NCc4ccccc4)nn3c2=O)cc1C ZINC000101834536 557301416 /nfs/dbraw/zinc/30/14/16/557301416.db2.gz OLWMFGFDAYAQHD-UHFFFAOYSA-N 0 0 430.512 3.526 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@@H](C(=O)N1CCC(C)CC1)C2 ZINC000230137932 557303464 /nfs/dbraw/zinc/30/34/64/557303464.db2.gz DVPBVVNZKMDXAN-ZCYQVOJMSA-N 0 0 437.559 3.960 50 0 IHAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(OCC)cc3)C(=O)C(C)C)nn2c1=O ZINC000101878669 557304665 /nfs/dbraw/zinc/30/46/65/557304665.db2.gz ZUPURACNBZXHME-UHFFFAOYSA-N 0 0 425.533 3.657 50 0 IHAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(OC)c3)C(=O)C2)cc1 ZINC000101881584 557305337 /nfs/dbraw/zinc/30/53/37/557305337.db2.gz PWQFPMISUFAWFA-UHFFFAOYSA-N 0 0 430.464 3.595 50 0 IHAARN CCOc1cc(/C=C2/NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC ZINC000220958825 557312582 /nfs/dbraw/zinc/31/25/82/557312582.db2.gz YIEQWOJMHBLZBZ-WOJGMQOQSA-N 0 0 440.521 3.516 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@H]1C ZINC000102180764 557314630 /nfs/dbraw/zinc/31/46/30/557314630.db2.gz WBDQSMOUSQSXQC-FUKQBSRTSA-N 0 0 436.552 3.512 50 0 IHAARN O=C(C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000032823313 557316480 /nfs/dbraw/zinc/31/64/80/557316480.db2.gz WGOBEFNSQMFDPA-RUZDIDTESA-N 0 0 425.536 3.733 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102258833 557316916 /nfs/dbraw/zinc/31/69/16/557316916.db2.gz OIWNRYWCWURPNN-HXUWFJFHSA-N 0 0 429.517 3.976 50 0 IHAARN Cc1sc2nc(C)nc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)c2c1C ZINC000033010755 557321076 /nfs/dbraw/zinc/32/10/76/557321076.db2.gz HMPBEFRMGHWYGY-UHFFFAOYSA-N 0 0 436.990 3.781 50 0 IHAARN O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000033023749 557321317 /nfs/dbraw/zinc/32/13/17/557321317.db2.gz MJFZZJAUXCRTCZ-UHFFFAOYSA-N 0 0 428.441 3.650 50 0 IHAARN Cc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3ccccc3C)s2)c1 ZINC000032987309 557321582 /nfs/dbraw/zinc/32/15/82/557321582.db2.gz NDUKEJBJMMMJPO-UHFFFAOYSA-N 0 0 426.567 3.957 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)N2CCCCC2)c(C)c1 ZINC000102413517 557321703 /nfs/dbraw/zinc/32/17/03/557321703.db2.gz MUAPDGWQKXGUQU-AUSIDOKSSA-N 0 0 448.567 3.860 50 0 IHAARN COc1cc(NC(=O)NCCc2nc3cccnc3n2-c2ccccc2)cc(OC)c1OC ZINC000033048113 557322842 /nfs/dbraw/zinc/32/28/42/557322842.db2.gz KRYLJHWMDMDRLZ-UHFFFAOYSA-N 0 0 447.495 3.811 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(Cl)cnn1C)C[C@H](C)CC2 ZINC000000832646 557326346 /nfs/dbraw/zinc/32/63/46/557326346.db2.gz QWKFVSJSVGTIFC-SECBINFHSA-N 0 0 440.978 3.563 50 0 IHAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCn3nnc4ccccc4c3=O)nc(=O)c12 ZINC000014244686 557328564 /nfs/dbraw/zinc/32/85/64/557328564.db2.gz OPNKPCLAKRGKDB-NSHDSACASA-N 0 0 427.555 3.736 50 0 IHAARN CCn1c(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)nc2cc(C(=O)N(C)C)ccc21 ZINC000033275871 557328936 /nfs/dbraw/zinc/32/89/36/557328936.db2.gz LBDJQZGCJRTZAZ-UHFFFAOYSA-N 0 0 442.585 3.702 50 0 IHAARN O=C(/C=C/c1ccc(Br)o1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000033467034 557334965 /nfs/dbraw/zinc/33/49/65/557334965.db2.gz BIWCMAGUIKXBMF-KDFHGORWSA-N 0 0 447.310 3.908 50 0 IHAARN Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000023336714 557349101 /nfs/dbraw/zinc/34/91/01/557349101.db2.gz OKAQOQFXHRUNKT-UHFFFAOYSA-N 0 0 437.352 3.756 50 0 IHAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CC=CCC4)cc3)c(C)c2Br)o1 ZINC000023334866 557349694 /nfs/dbraw/zinc/34/96/94/557349694.db2.gz XWGRTHSWAWMWFP-UHFFFAOYSA-N 0 0 428.290 3.704 50 0 IHAARN CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000024022971 557391550 /nfs/dbraw/zinc/39/15/50/557391550.db2.gz FEOODYXKDIPOHB-VWLOTQADSA-N 0 0 448.567 3.588 50 0 IHAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 ZINC000011695732 557393438 /nfs/dbraw/zinc/39/34/38/557393438.db2.gz BHYBHMYXAQHSAZ-UHFFFAOYSA-N 0 0 434.883 3.595 50 0 IHAARN CCOC(=O)C(=C(O)CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 ZINC000102814703 557393455 /nfs/dbraw/zinc/39/34/55/557393455.db2.gz YMHBIBKCLVKNCL-QGZVFWFLSA-N 0 0 442.566 3.918 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000102871499 557395901 /nfs/dbraw/zinc/39/59/01/557395901.db2.gz ASNUHCKIBYDKIK-IAGOWNOFSA-N 0 0 425.554 3.568 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NC1CCCC1 ZINC000004877823 557400513 /nfs/dbraw/zinc/40/05/13/557400513.db2.gz BOMWYFPYHQOSLT-UHFFFAOYSA-N 0 0 425.554 3.506 50 0 IHAARN Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000033470419 557401209 /nfs/dbraw/zinc/40/12/09/557401209.db2.gz NETVONSEJHSABI-UHFFFAOYSA-N 0 0 448.508 3.734 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)COc3ccccc3C)C(C)C)n2)cc1OC ZINC000004943622 557413025 /nfs/dbraw/zinc/41/30/25/557413025.db2.gz GVFHEHSZXJFUIM-UHFFFAOYSA-N 0 0 425.485 3.878 50 0 IHAARN CCOC(=O)C(=C([O-])CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034776 557416045 /nfs/dbraw/zinc/41/60/45/557416045.db2.gz GPKYJLXIGJXWTR-GFCCVEGCSA-N 0 0 445.353 3.809 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O 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PNNSZYMRXOUHJV-UHFFFAOYSA-N 0 0 435.915 3.913 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@H]1C ZINC000104809352 557462281 /nfs/dbraw/zinc/46/22/81/557462281.db2.gz JOZXKDYVUVLYIZ-BIENJYKASA-N 0 0 430.973 3.821 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)CC1 ZINC000051317430 557468600 /nfs/dbraw/zinc/46/86/00/557468600.db2.gz GNFMQLDBMKRTAD-UHFFFAOYSA-N 0 0 425.920 3.509 50 0 IHAARN CCOc1cc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C)ccc1OC ZINC000051318062 557469501 /nfs/dbraw/zinc/46/95/01/557469501.db2.gz MBMOMPZGFIWMEP-UHFFFAOYSA-N 0 0 445.317 3.676 50 0 IHAARN CCCOc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004749877 557498631 /nfs/dbraw/zinc/49/86/31/557498631.db2.gz KIWMMVXCIURYLQ-FLSMSTFGSA-N 0 0 427.566 3.747 50 0 IHAARN COc1cccc(Cn2c(CNC(=O)c3ccc(Br)o3)nc3cccnc32)c1 ZINC000047145699 557517350 /nfs/dbraw/zinc/51/73/50/557517350.db2.gz HIJFMFKVYXQBSK-UHFFFAOYSA-N 0 0 441.285 3.774 50 0 IHAARN O=C(C[C@@H]1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019961989 557522554 /nfs/dbraw/zinc/52/25/54/557522554.db2.gz QVQAECUNDJOQOV-HXUWFJFHSA-N 0 0 440.459 3.882 50 0 IHAARN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019962189 557522728 /nfs/dbraw/zinc/52/27/28/557522728.db2.gz QXYUIXXNJGZQCD-XMMPIXPASA-N 0 0 438.531 3.916 50 0 IHAARN O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003166037 557531582 /nfs/dbraw/zinc/53/15/82/557531582.db2.gz NRTYECBKRTXYED-UHFFFAOYSA-N 0 0 429.361 3.550 50 0 IHAARN O=C(c1ccccc1Br)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105651 557534374 /nfs/dbraw/zinc/53/43/74/557534374.db2.gz BXUDNXVPIDILPA-OAHLLOKOSA-N 0 0 426.307 3.667 50 0 IHAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000107177338 557535482 /nfs/dbraw/zinc/53/54/82/557535482.db2.gz UTHLGSOXEIDBAC-MTQWCTHYSA-N 0 0 426.394 3.684 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@H]1CCSC1 ZINC000108072023 557540191 /nfs/dbraw/zinc/54/01/91/557540191.db2.gz YUOVSKVBIIHUEM-DOTOQJQBSA-N 0 0 435.640 3.941 50 0 IHAARN O=C([C@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000108165098 557541790 /nfs/dbraw/zinc/54/17/90/557541790.db2.gz ZINAICWIEJTJBY-VQTJNVASSA-N 0 0 433.474 3.751 50 0 IHAARN C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 ZINC000051353940 557542483 /nfs/dbraw/zinc/54/24/83/557542483.db2.gz BGNRPFRTLBYQIS-XPTSAGLGSA-N 0 0 446.223 3.993 50 0 IHAARN COc1cc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)O2)cc(OC)c1OC ZINC000045253670 557542967 /nfs/dbraw/zinc/54/29/67/557542967.db2.gz FWLQLYQYQAYJSA-IBGZPJMESA-N 0 0 435.274 3.714 50 0 IHAARN CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000108479942 557543029 /nfs/dbraw/zinc/54/30/29/557543029.db2.gz OMAFYZQCQUQKKF-QFBILLFUSA-N 0 0 433.915 3.579 50 0 IHAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000045355588 557543365 /nfs/dbraw/zinc/54/33/65/557543365.db2.gz YROOTEWJASFWDU-UHFFFAOYSA-N 0 0 425.916 3.744 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@H]1C ZINC000108883599 557544020 /nfs/dbraw/zinc/54/40/20/557544020.db2.gz PKJNQZKOIJLFOI-FUHIMQAGSA-N 0 0 436.581 3.873 50 0 IHAARN CN1c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2C(=C2CCCC2)C1=O ZINC000045895032 557546432 /nfs/dbraw/zinc/54/64/32/557546432.db2.gz KTYHTAJUIGRDFL-UHFFFAOYSA-N 0 0 437.565 3.502 50 0 IHAARN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C ZINC000045895247 557546516 /nfs/dbraw/zinc/54/65/16/557546516.db2.gz FQRNXQQEIWMZCJ-UHFFFAOYSA-N 0 0 426.538 3.868 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000045934052 557550574 /nfs/dbraw/zinc/55/05/74/557550574.db2.gz VMDPHOIDIUJHIZ-XMMPIXPASA-N 0 0 448.544 3.952 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000045961879 557554554 /nfs/dbraw/zinc/55/45/54/557554554.db2.gz USTQRQRPQZAXMQ-UHFFFAOYSA-N 0 0 441.509 3.907 50 0 IHAARN O=C(CSc1ccc(Cl)cc1)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000045961409 557555345 /nfs/dbraw/zinc/55/53/45/557555345.db2.gz DKUBAJQOKCTDBB-UHFFFAOYSA-N 0 0 442.953 3.880 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)c1C ZINC000045973925 557555691 /nfs/dbraw/zinc/55/56/91/557555691.db2.gz AJHKBUCCGBVURE-UHFFFAOYSA-N 0 0 445.947 3.630 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)c1C ZINC000045973878 557555777 /nfs/dbraw/zinc/55/57/77/557555777.db2.gz SNIQRALMTDFZRK-UHFFFAOYSA-N 0 0 431.577 3.890 50 0 IHAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)o1 ZINC000045974032 557556016 /nfs/dbraw/zinc/55/60/16/557556016.db2.gz IMBUTDCMDOLDHN-UHFFFAOYSA-N 0 0 443.544 3.657 50 0 IHAARN COc1ccc(CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(OC)c1OC ZINC000039982781 557674260 /nfs/dbraw/zinc/67/42/60/557674260.db2.gz IUKGHHONXNKCAV-UHFFFAOYSA-N 0 0 432.904 3.765 50 0 IHAARN CC(C)(C)OC(=O)NCCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000040108139 557700679 /nfs/dbraw/zinc/70/06/79/557700679.db2.gz HNQBIAFNCJCDCH-LJQANCHMSA-N 0 0 429.586 3.879 50 0 IHAARN CCC[C@H]1CCc2nc(NC(=O)[C@@](C)(O)Cn3ccc4sccc4c3=O)sc2C1 ZINC000225443638 557723401 /nfs/dbraw/zinc/72/34/01/557723401.db2.gz JCRSPHFXJZBRLU-ZSEKCTLFSA-N 0 0 431.583 3.814 50 0 IHAARN Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1ccc(N(C)C2CCCCC2)cc1 ZINC000225500322 557730998 /nfs/dbraw/zinc/73/09/98/557730998.db2.gz STEOPEJEOALSFM-UHFFFAOYSA-N 0 0 438.528 3.590 50 0 IHAARN CCC(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(S(N)(=O)=O)c1 ZINC000225536539 557738236 /nfs/dbraw/zinc/73/82/36/557738236.db2.gz YPRDJLCJWIZMBJ-NRFANRHFSA-N 0 0 445.585 3.574 50 0 IHAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C)cc3)c2=O)c1 ZINC000040478471 557753686 /nfs/dbraw/zinc/75/36/86/557753686.db2.gz DZJQPHKPZRNUJZ-UHFFFAOYSA-N 0 0 445.544 3.881 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000225642359 557755871 /nfs/dbraw/zinc/75/58/71/557755871.db2.gz IPWGPWMZRVUDEX-UHFFFAOYSA-N 0 0 441.938 3.973 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1OC ZINC000040484526 557756206 /nfs/dbraw/zinc/75/62/06/557756206.db2.gz JSUTURKEKDZUJA-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN CCn1ccnc1CN(C(=O)c1ccccn1)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669233 557760364 /nfs/dbraw/zinc/76/03/64/557760364.db2.gz PFSWZMPOIGVUCZ-IBGZPJMESA-N 0 0 439.560 3.730 50 0 IHAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000000845477 557828659 /nfs/dbraw/zinc/82/86/59/557828659.db2.gz QRWVJHDEBYQMBT-QGZVFWFLSA-N 0 0 444.372 3.903 50 0 IHAARN O=C(COc1ccc(Br)cc1Br)Nc1ccc2c(c1)OCO2 ZINC000000846536 557829055 /nfs/dbraw/zinc/82/90/55/557829055.db2.gz BJSWWYUURFKQPW-UHFFFAOYSA-N 0 0 429.064 3.958 50 0 IHAARN O=C(CN1CCC[C@@H]2CCCC[C@H]21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000229996782 557834968 /nfs/dbraw/zinc/83/49/68/557834968.db2.gz PFZAGWXQXPPEOI-OXJNMPFZSA-N 0 0 440.009 3.718 50 0 IHAARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1Cl ZINC000000866651 557839913 /nfs/dbraw/zinc/83/99/13/557839913.db2.gz YJBMGDPGZIJORN-LIKPIUCQSA-N 0 0 428.875 3.877 50 0 IHAARN COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@H]2CCCC[C@H]21 ZINC000239174310 557843114 /nfs/dbraw/zinc/84/31/14/557843114.db2.gz PTBCTVVKUYENGB-BHDDXSALSA-N 0 0 449.551 3.593 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)c1 ZINC000009578795 560211309 /nfs/dbraw/zinc/21/13/09/560211309.db2.gz BFNBJUBXXJKBFN-UHFFFAOYSA-N 0 0 436.537 3.683 50 0 in-vitro IHAARN C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388639 562921582 /nfs/dbraw/zinc/92/15/82/562921582.db2.gz MJIOXURBVHAXRI-KRWDZBQOSA-N 0 0 435.851 3.663 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000000915375 562919591 /nfs/dbraw/zinc/91/95/91/562919591.db2.gz BBPXOAVVBXUIQG-OAHLLOKOSA-N 0 0 429.933 3.903 50 0 IHAARN COC(=O)[C@H](Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)N1Cc2ccccc2C1=O ZINC000001383739 562921529 /nfs/dbraw/zinc/92/15/29/562921529.db2.gz KZDMFKHCOHVCEM-QHCPKHFHSA-N 0 0 429.472 3.954 50 0 IHAARN CC[C@H](C)N1CC(=O)N2[C@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002156786 562926079 /nfs/dbraw/zinc/92/60/79/562926079.db2.gz LCDZIVQXIKMJTE-HHCYOLOASA-N 0 0 447.535 3.669 50 0 biogenic IHAARN COc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)c1 ZINC000002400113 562927376 /nfs/dbraw/zinc/92/73/76/562927376.db2.gz IYJNIFOADGLUTK-OAHLLOKOSA-N 0 0 433.464 3.667 50 0 IHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000002427282 562927609 /nfs/dbraw/zinc/92/76/09/562927609.db2.gz LGGOFPMWMXXCQN-GXTWGEPZSA-N 0 0 432.325 3.570 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC ZINC000002441683 562927720 /nfs/dbraw/zinc/92/77/20/562927720.db2.gz SHTCLFDWYWFLCD-JOCHJYFZSA-N 0 0 428.444 3.951 50 0 IHAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C)on1 ZINC000002618427 562928475 /nfs/dbraw/zinc/92/84/75/562928475.db2.gz HLFXZBRFOCBJNR-UHFFFAOYSA-N 0 0 436.493 3.730 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000002621451 562928587 /nfs/dbraw/zinc/92/85/87/562928587.db2.gz WBNPANYCACOLAU-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN COc1cccc2cc(-c3csc(NC(=O)CCC(=O)NC4CCCC4)n3)c(=O)oc21 ZINC000002956284 562931219 /nfs/dbraw/zinc/93/12/19/562931219.db2.gz XPGRAZBIKCETHI-UHFFFAOYSA-N 0 0 441.509 3.703 50 0 IHAARN Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003246629 562933289 /nfs/dbraw/zinc/93/32/89/562933289.db2.gz DKDGLTCLCCJFQS-AWEZNQCLSA-N 0 0 426.494 3.788 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000003301657 562933936 /nfs/dbraw/zinc/93/39/36/562933936.db2.gz VOIJYKPANMXMCH-UHFFFAOYSA-N 0 0 429.350 3.828 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000003302118 562934008 /nfs/dbraw/zinc/93/40/08/562934008.db2.gz QWNQRQWWOOJDKF-MRXNPFEDSA-N 0 0 441.915 3.764 50 0 IHAARN CCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000003327201 562934306 /nfs/dbraw/zinc/93/43/06/562934306.db2.gz HKJFGEXDSONTPW-UHFFFAOYSA-N 0 0 426.344 3.992 50 0 IHAARN CCN(CC)c1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000003363734 562934826 /nfs/dbraw/zinc/93/48/26/562934826.db2.gz RGGSGZGFAUHMRW-HSZRJFAPSA-N 0 0 439.537 3.644 50 0 IHAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)n2ccsc2n1 ZINC000003420530 562935558 /nfs/dbraw/zinc/93/55/58/562935558.db2.gz WYDRCJJFCSCJTJ-UHFFFAOYSA-N 0 0 425.341 3.914 50 0 IHAARN CC(C)Cn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003493847 562936296 /nfs/dbraw/zinc/93/62/96/562936296.db2.gz WGPXXVRAXNYJNV-HNNXBMFYSA-N 0 0 439.537 3.943 50 0 IHAARN CCOC(=O)[C@@](O)(c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003639388 562937161 /nfs/dbraw/zinc/93/71/61/562937161.db2.gz FNQMOBGENWIGGW-IBGZPJMESA-N 0 0 445.459 3.523 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCCCN(C)c1ccccc1 ZINC000004057420 562941362 /nfs/dbraw/zinc/94/13/62/562941362.db2.gz CNEXUNNSVUUQIT-WJOKGBTCSA-N 0 0 439.581 3.850 50 0 IHAARN COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN(C)c3ccccc3)o2)cc1 ZINC000004057576 562941369 /nfs/dbraw/zinc/94/13/69/562941369.db2.gz FSBKXGCTDHERMM-UHFFFAOYSA-N 0 0 442.537 3.518 50 0 IHAARN COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 ZINC000004084868 562941675 /nfs/dbraw/zinc/94/16/75/562941675.db2.gz YGWXPEQSLUJEKP-KRWDZBQOSA-N 0 0 433.545 4.000 50 0 biogenic IHAARN CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3cccc(OC)c3)oc2C)CC1 ZINC000004111458 562942084 /nfs/dbraw/zinc/94/20/84/562942084.db2.gz MHCORVMWXBXDMN-UHFFFAOYSA-N 0 0 447.557 3.629 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NC3CCCCC3)c(O)c2c1 ZINC000006181452 562946379 /nfs/dbraw/zinc/94/63/79/562946379.db2.gz AARBXLCRZKSNHA-UHFFFAOYSA-N 0 0 439.537 3.700 50 0 IHAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCC(C)CC2)cc1 ZINC000006577267 562947550 /nfs/dbraw/zinc/94/75/50/562947550.db2.gz OJZQWRXKUXLSSO-UHFFFAOYSA-N 0 0 439.585 3.556 50 0 IHAARN CCn1c(C(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc2sccc21 ZINC000006577600 562947751 /nfs/dbraw/zinc/94/77/51/562947751.db2.gz HJBJFGMBUKWFPA-UHFFFAOYSA-N 0 0 439.537 3.620 50 0 IHAARN Cc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000006931505 562948604 /nfs/dbraw/zinc/94/86/04/562948604.db2.gz ARRJXRVEKXOTPM-UHFFFAOYSA-N 0 0 425.554 3.639 50 0 IHAARN CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000008015340 562948794 /nfs/dbraw/zinc/94/87/94/562948794.db2.gz SUJVYXLEROJSQA-RIFZZMRRSA-N 0 0 428.529 3.886 50 0 IHAARN COc1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1OC ZINC000008588461 562950748 /nfs/dbraw/zinc/95/07/48/562950748.db2.gz DDCODRUKUKSPHO-UHFFFAOYSA-N 0 0 437.471 3.507 50 0 IHAARN Cc1ccc(-c2noc(-c3nnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3N)n2)cc1 ZINC000008591834 562952145 /nfs/dbraw/zinc/95/21/45/562952145.db2.gz SOOHCMCDYLWJOG-UHFFFAOYSA-N 0 0 443.389 3.543 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCCc1ccc(C)cc1)nc2C ZINC000008593411 562952681 /nfs/dbraw/zinc/95/26/81/562952681.db2.gz PZNAHDGHKWBPPI-HXUWFJFHSA-N 0 0 443.551 3.736 50 0 IHAARN O=C(Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCCC3)Nc1ccccc1 ZINC000008593495 562952747 /nfs/dbraw/zinc/95/27/47/562952747.db2.gz IOJYJRCENIEYQP-UHFFFAOYSA-N 0 0 431.517 3.731 50 0 IHAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000008593596 562952760 /nfs/dbraw/zinc/95/27/60/562952760.db2.gz QIWJUZSWRBYTAM-UHFFFAOYSA-N 0 0 444.274 3.750 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1cccc(F)c1 ZINC000008594789 562953156 /nfs/dbraw/zinc/95/31/56/562953156.db2.gz JXCYSTRFFDPTIT-UHFFFAOYSA-N 0 0 438.843 3.662 50 0 IHAARN CCN1c2cc(C(=O)NCc3ccccc3OC)ccc2[S@](=O)c2ccccc2C1=O ZINC000008597298 562954003 /nfs/dbraw/zinc/95/40/03/562954003.db2.gz JBQOQPITCJDIJI-HKBQPEDESA-N 0 0 434.517 3.772 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000008597713 562954058 /nfs/dbraw/zinc/95/40/58/562954058.db2.gz PBJYZAFLMKTWDB-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN COc1ccc(N2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1OC ZINC000008601689 562955532 /nfs/dbraw/zinc/95/55/32/562955532.db2.gz OXNPIFMYXKUVAJ-FQEVSTJZSA-N 0 0 430.504 3.757 50 0 IHAARN COc1ccc(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1OC ZINC000008601688 562955571 /nfs/dbraw/zinc/95/55/71/562955571.db2.gz OXNPIFMYXKUVAJ-HXUWFJFHSA-N 0 0 430.504 3.757 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)c(C)c1 ZINC000008601890 562955661 /nfs/dbraw/zinc/95/56/61/562955661.db2.gz UALYTDJUNZYLGC-QGZVFWFLSA-N 0 0 439.580 3.760 50 0 IHAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)N3CCCC3)c2=O)cc1 ZINC000008603897 562956168 /nfs/dbraw/zinc/95/61/68/562956168.db2.gz LBFKEERBQSCUFA-UHFFFAOYSA-N 0 0 433.533 3.552 50 0 IHAARN CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000008603899 562956188 /nfs/dbraw/zinc/95/61/88/562956188.db2.gz ZMDZXCQVJONNLT-UHFFFAOYSA-N 0 0 447.560 3.988 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1 ZINC000008608665 562957504 /nfs/dbraw/zinc/95/75/04/562957504.db2.gz BVTVPWBFJVJPBI-KRWDZBQOSA-N 0 0 430.460 3.717 50 0 IHAARN C[C@@H]1CCCCN1C(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008610720 562958226 /nfs/dbraw/zinc/95/82/26/562958226.db2.gz XXGUMFHEAQNEPS-QGZVFWFLSA-N 0 0 432.499 3.940 50 0 IHAARN Cc1c2cnn(CC(=O)NCCc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000008611284 562958499 /nfs/dbraw/zinc/95/84/99/562958499.db2.gz NQAFXFGBKSLMQB-UHFFFAOYSA-N 0 0 448.954 3.875 50 0 IHAARN CCc1ccccc1N(CC)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008611335 562958551 /nfs/dbraw/zinc/95/85/51/562958551.db2.gz ZZLOTFATRAWNNY-UHFFFAOYSA-N 0 0 432.524 3.677 50 0 IHAARN Cc1ccccc1CCNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000008611936 562958753 /nfs/dbraw/zinc/95/87/53/562958753.db2.gz DSNRNBKMSLLCBX-UHFFFAOYSA-N 0 0 439.581 3.634 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000008612058 562958936 /nfs/dbraw/zinc/95/89/36/562958936.db2.gz IEZDZAGBZNGVFP-INIZCTEOSA-N 0 0 427.975 3.613 50 0 IHAARN Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(CC(C)(C)C)nc2n(C)c1=O ZINC000008657570 562960298 /nfs/dbraw/zinc/96/02/98/562960298.db2.gz NHFVCOZQGZYVQP-UHFFFAOYSA-N 0 0 436.940 3.701 50 0 IHAARN COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000009057635 562966747 /nfs/dbraw/zinc/96/67/47/562966747.db2.gz NEVIIVZKSNITKA-JXAWBTAJSA-N 0 0 429.314 3.851 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)c1 ZINC000009288101 562968933 /nfs/dbraw/zinc/96/89/33/562968933.db2.gz SCJPAQWVAALJNP-NRFANRHFSA-N 0 0 449.507 3.972 50 0 IHAARN O=C(CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000009315568 562969215 /nfs/dbraw/zinc/96/92/15/562969215.db2.gz JEJUNUJLSXNFDD-UHFFFAOYSA-N 0 0 439.581 3.804 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009494095 562972213 /nfs/dbraw/zinc/97/22/13/562972213.db2.gz NOGQKRLQQCHMBT-UHFFFAOYSA-N 0 0 428.920 3.647 50 0 IHAARN COC(=O)CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000009509655 562972626 /nfs/dbraw/zinc/97/26/26/562972626.db2.gz NYQRASDDBBFTNT-UHFFFAOYSA-N 0 0 442.899 3.522 50 0 IHAARN COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc(OC)c1OC ZINC000009616036 562974281 /nfs/dbraw/zinc/97/42/81/562974281.db2.gz MFBJKHRGTVLDOZ-UHFFFAOYSA-N 0 0 432.476 3.535 50 0 IHAARN Cc1noc(C)c1COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000009634643 562974587 /nfs/dbraw/zinc/97/45/87/562974587.db2.gz RQWSTXGGROYPPO-UHFFFAOYSA-N 0 0 447.340 3.742 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1 ZINC000009673905 562975365 /nfs/dbraw/zinc/97/53/65/562975365.db2.gz ODACKASINRVXRN-GFCCVEGCSA-N 0 0 440.928 3.675 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1F ZINC000009715573 562975995 /nfs/dbraw/zinc/97/59/95/562975995.db2.gz CJFSEROXCLLDQY-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN C[C@@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009729686 562976174 /nfs/dbraw/zinc/97/61/74/562976174.db2.gz TTWQVAVOMHZGOB-QWHCGFSZSA-N 0 0 445.472 3.874 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009952355 562977826 /nfs/dbraw/zinc/97/78/26/562977826.db2.gz SCGXMOUXFSDHQD-FQEVSTJZSA-N 0 0 429.520 3.907 50 0 IHAARN Cc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)on1 ZINC000012078309 562980678 /nfs/dbraw/zinc/98/06/78/562980678.db2.gz MJWFOCDBQNFAGF-UHFFFAOYSA-N 0 0 426.480 3.532 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000013152972 562985511 /nfs/dbraw/zinc/98/55/11/562985511.db2.gz YEWYWWRBZDDFMO-NRFANRHFSA-N 0 0 437.521 3.707 50 0 IHAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC000013594518 562996559 /nfs/dbraw/zinc/99/65/59/562996559.db2.gz YFOIDMNWOPFQBR-UHFFFAOYSA-N 0 0 437.462 3.776 50 0 IHAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000015390983 563017858 /nfs/dbraw/zinc/01/78/58/563017858.db2.gz JXIATHUUSUFBBY-MRXNPFEDSA-N 0 0 436.917 3.641 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)N[C@@H](C)c1ccccc1)nc2C ZINC000015943043 563019875 /nfs/dbraw/zinc/01/98/75/563019875.db2.gz CIDOGOSKFSOIGL-KRWDZBQOSA-N 0 0 429.524 3.857 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1OC ZINC000015944330 563020229 /nfs/dbraw/zinc/02/02/29/563020229.db2.gz RCMAAODXWJDDFR-JOBHDOSOSA-N 0 0 448.585 3.857 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc(C)cc3)c(C)o2)cc1OC ZINC000015944366 563020268 /nfs/dbraw/zinc/02/02/68/563020268.db2.gz YZVTUGKNABSBGU-HKBQPEDESA-N 0 0 442.537 3.541 50 0 IHAARN CCCCn1nc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c2ccccc2c1=O ZINC000031173911 563083216 /nfs/dbraw/zinc/08/32/16/563083216.db2.gz IIVWKBWPXBMOBN-UHFFFAOYSA-N 0 0 442.466 3.576 50 0 IHAARN CCN1CCN(C(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000056964071 563143061 /nfs/dbraw/zinc/14/30/61/563143061.db2.gz LYEVAMCUULCOPU-UHFFFAOYSA-N 0 0 435.977 3.597 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccccc2F)cc1 ZINC000019009522 568632044 /nfs/dbraw/zinc/63/20/44/568632044.db2.gz VDMDPGPERLMRNR-UHFFFAOYSA-N 0 0 449.507 3.942 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N[C@H](C)c2ccco2)cc1 ZINC000019009518 568632054 /nfs/dbraw/zinc/63/20/54/568632054.db2.gz RTCOAXBCZVEBGQ-OAHLLOKOSA-N 0 0 435.505 3.957 50 0 IHAARN Cc1c(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000025085850 568635543 /nfs/dbraw/zinc/63/55/43/568635543.db2.gz GHMWXRQUEYJUIC-UHFFFAOYSA-N 0 0 441.894 3.963 50 0 IHAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)n1 ZINC000000907018 568636334 /nfs/dbraw/zinc/63/63/34/568636334.db2.gz MQRKZDPJOXCDSX-UHFFFAOYSA-N 0 0 428.587 3.862 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cn3ccnc3)c2)cc1 ZINC000025173762 568646795 /nfs/dbraw/zinc/64/67/95/568646795.db2.gz DICULZRDFYMPAO-UHFFFAOYSA-N 0 0 440.569 3.533 50 0 IHAARN Cn1c2nc(Oc3ccccc3Cl)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000970982 568647539 /nfs/dbraw/zinc/64/75/39/568647539.db2.gz FABOFBZLTGNEDF-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)ccc1OC(F)F ZINC000025328887 568652557 /nfs/dbraw/zinc/65/25/57/568652557.db2.gz BFYWLJZEZHPASI-UHFFFAOYSA-N 0 0 446.244 3.631 50 0 IHAARN O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 ZINC000001058110 568655396 /nfs/dbraw/zinc/65/53/96/568655396.db2.gz JXCCCHWYEKOALV-UHFFFAOYSA-N 0 0 441.578 3.819 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001079255 568656743 /nfs/dbraw/zinc/65/67/43/568656743.db2.gz NBMKQMCGFPLLRK-UHFFFAOYSA-N 0 0 436.489 3.682 50 0 IHAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 ZINC000001130651 568662033 /nfs/dbraw/zinc/66/20/33/568662033.db2.gz XOEYVZCVBRIJOE-UHFFFAOYSA-N 0 0 439.420 3.593 50 0 biogenic IHAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C(=O)[C@@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257355885 568731259 /nfs/dbraw/zinc/73/12/59/568731259.db2.gz DGRJLOFFNWNGJO-KZTMWQACSA-N 0 0 446.628 3.944 50 0 IHAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015154202 568731898 /nfs/dbraw/zinc/73/18/98/568731898.db2.gz SWBCZGMNHFTMMA-UHFFFAOYSA-N 0 0 442.459 3.898 50 0 IHAARN C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000015188610 568732049 /nfs/dbraw/zinc/73/20/49/568732049.db2.gz AEMXPQFJWHRWNV-IINYFYTJSA-N 0 0 430.140 3.575 50 0 IHAARN O=C(NCCS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl ZINC000263639627 568737429 /nfs/dbraw/zinc/73/74/29/568737429.db2.gz ATIGYKRLAZMYJX-UHFFFAOYSA-N 0 0 427.231 3.611 50 0 IHAARN CN(Cc1ccco1)S(=O)(=O)[C@@H]1CON(C)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738993 568737738 /nfs/dbraw/zinc/73/77/38/568737738.db2.gz WYBMIYXDRBVROH-PKTZIBPZSA-N 0 0 442.537 3.607 50 0 IHAARN Cc1ccc(-c2noc([C@H](C)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000031584074 568740721 /nfs/dbraw/zinc/74/07/21/568740721.db2.gz JIUWXDGGNFERCK-IBGZPJMESA-N 0 0 440.569 3.729 50 0 IHAARN COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCc2ccccc2)cc1 ZINC000002117515 568742743 /nfs/dbraw/zinc/74/27/43/568742743.db2.gz WWJQXIAEFILIDF-PXLXIMEGSA-N 0 0 444.487 3.554 50 0 IHAARN Cc1csc(NC(=O)CSc2nnc(NC(=O)c3nc4ccccc4s3)s2)n1 ZINC000043939675 568743727 /nfs/dbraw/zinc/74/37/27/568743727.db2.gz AVNZYCWWHLGTRH-UHFFFAOYSA-N 0 0 448.580 3.896 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000012541655 568743848 /nfs/dbraw/zinc/74/38/48/568743848.db2.gz XQDFIUNEPOAECP-UHFFFAOYSA-N 0 0 438.477 3.591 50 0 IHAARN COc1ccc(/C=C/C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1OC ZINC000044006654 568745701 /nfs/dbraw/zinc/74/57/01/568745701.db2.gz QZPVJSUOLMVRAA-CSKARUKUSA-N 0 0 426.488 3.525 50 0 IHAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000003363300 568747073 /nfs/dbraw/zinc/74/70/73/568747073.db2.gz AQMONXZFISFTCL-XMMPIXPASA-N 0 0 441.959 3.763 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000003412579 568748763 /nfs/dbraw/zinc/74/87/63/568748763.db2.gz KPRXFBWBTGOPOZ-UHFFFAOYSA-N 0 0 434.315 3.916 50 0 IHAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccccc1F ZINC000003457753 568749842 /nfs/dbraw/zinc/74/98/42/568749842.db2.gz AXEHUUWUTCTWRB-UHFFFAOYSA-N 0 0 427.505 3.570 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 ZINC000003501961 568750378 /nfs/dbraw/zinc/75/03/78/568750378.db2.gz GNORGUYILAHOKB-UHFFFAOYSA-N 0 0 433.508 3.992 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003541166 568750478 /nfs/dbraw/zinc/75/04/78/568750478.db2.gz SAVUZGJGXBIOFO-UHFFFAOYSA-N 0 0 441.453 3.880 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000003519346 568750510 /nfs/dbraw/zinc/75/05/10/568750510.db2.gz CEUPEPLFCFCJLC-GJZUVCINSA-N 0 0 427.504 3.801 50 0 IHAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000003567757 568750836 /nfs/dbraw/zinc/75/08/36/568750836.db2.gz JWHOHGHHFQRAGW-HOTGVXAUSA-N 0 0 426.513 3.562 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(SCC)s2)c1 ZINC000003592277 568751423 /nfs/dbraw/zinc/75/14/23/568751423.db2.gz BNKNEHYVYAPEBC-UHFFFAOYSA-N 0 0 428.605 3.713 50 0 IHAARN Cc1ccc(C2=N[C@@](NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1 ZINC000003624320 568751695 /nfs/dbraw/zinc/75/16/95/568751695.db2.gz AFJSZVZVYQRNJV-KRWDZBQOSA-N 0 0 430.213 3.867 50 0 IHAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000019161209 568752674 /nfs/dbraw/zinc/75/26/74/568752674.db2.gz NAQKVVSBDSUHRQ-ZIAGYGMSSA-N 0 0 428.872 3.548 50 0 IHAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC ZINC000003655687 568753372 /nfs/dbraw/zinc/75/33/72/568753372.db2.gz DNAZUSBZNUSBLP-SFHVURJKSA-N 0 0 435.461 3.802 50 0 IHAARN Cc1c(NC(=S)Nc2ccc(C3N=NC(=S)O3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003670770 568754089 /nfs/dbraw/zinc/75/40/89/568754089.db2.gz LQVIRIHZPNCJNP-UHFFFAOYSA-N 0 0 438.538 3.632 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 ZINC000015315730 568755270 /nfs/dbraw/zinc/75/52/70/568755270.db2.gz QNUHCJBJLSJNHP-ZDUSSCGKSA-N 0 0 431.286 3.520 50 0 IHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C)C1=O ZINC000299755742 568755282 /nfs/dbraw/zinc/75/52/82/568755282.db2.gz CWNGXQLGSVTJBK-NRFANRHFSA-N 0 0 436.405 3.520 50 0 IHAARN O=C([C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)c3ccccc31)CC2)N1CCc2ccccc2C1 ZINC000299761988 568755931 /nfs/dbraw/zinc/75/59/31/568755931.db2.gz CQLRFYQFDJMFJT-GOTSBHOMSA-N 0 0 428.532 3.570 50 0 IHAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000299761883 568755994 /nfs/dbraw/zinc/75/59/94/568755994.db2.gz YUZDVWZRTQDKSA-QFIPXVFZSA-N 0 0 429.520 3.943 50 0 IHAARN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3Cc4cccc(-c5cncnc5)c4O3)cc2)n1 ZINC000299764993 568756229 /nfs/dbraw/zinc/75/62/29/568756229.db2.gz XLWDTOVACIJIRG-HSZRJFAPSA-N 0 0 439.519 3.739 50 0 IHAARN Cc1cccn2cc(CN3CCN(C(=O)c4cccc(C(F)(F)F)c4)CCC3=O)nc12 ZINC000299772798 568756789 /nfs/dbraw/zinc/75/67/89/568756789.db2.gz ARRBZOVSDFVBBV-UHFFFAOYSA-N 0 0 430.430 3.536 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004027457 568758767 /nfs/dbraw/zinc/75/87/67/568758767.db2.gz BNPNBAWUHPQBIR-CFYMNZCRSA-N 0 0 426.509 3.649 50 0 biogenic IHAARN COC(=O)c1cn(C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc2c(=O)[nH]nc1-2 ZINC000263588715 568761227 /nfs/dbraw/zinc/76/12/27/568761227.db2.gz XQJSQAKYWWWQEX-IBGZPJMESA-N 0 0 442.475 3.785 50 0 IHAARN COc1cccc(-n2c(SCC(N)=O)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 ZINC000001305130 568779251 /nfs/dbraw/zinc/77/92/51/568779251.db2.gz HCSGOLPZDGMZGL-UHFFFAOYSA-N 0 0 447.560 3.853 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C12CCCC2 ZINC000032103408 568780916 /nfs/dbraw/zinc/78/09/16/568780916.db2.gz FLWSZLVBTQWDPO-QFIPXVFZSA-N 0 0 438.524 3.841 50 0 IHAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1OC ZINC000004165326 568783012 /nfs/dbraw/zinc/78/30/12/568783012.db2.gz KLKTXGWGSOUQSZ-MRXNPFEDSA-N 0 0 439.331 3.577 50 0 IHAARN COC(=O)c1cc(-c2sccc2Br)[nH]c1N1CCC(C(=O)OC)CC1 ZINC000001382378 568784111 /nfs/dbraw/zinc/78/41/11/568784111.db2.gz RDTBNBLHBAOFJW-UHFFFAOYSA-N 0 0 427.320 3.682 50 0 IHAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(CS(=O)(=O)NCC(C)C)c1 ZINC000223231537 568786314 /nfs/dbraw/zinc/78/63/14/568786314.db2.gz AGKNCCOFKVSSSP-UHFFFAOYSA-N 0 0 431.533 3.872 50 0 IHAARN CCOC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccc(OC)cc1 ZINC000004184635 568787245 /nfs/dbraw/zinc/78/72/45/568787245.db2.gz QDJJRFLZPIOBTO-UHFFFAOYSA-N 0 0 429.498 3.615 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)ccc1C ZINC000016648454 568791238 /nfs/dbraw/zinc/79/12/38/568791238.db2.gz QNKFQDDDXVMXFA-CYBMUJFWSA-N 0 0 426.423 3.655 50 0 IHAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001422141 568793353 /nfs/dbraw/zinc/79/33/53/568793353.db2.gz JRAFBWGZIKTGRK-FQEVSTJZSA-N 0 0 426.494 3.687 50 0 IHAARN Cc1nnc(SCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1Cc1ccccc1 ZINC000059332577 568794731 /nfs/dbraw/zinc/79/47/31/568794731.db2.gz XAZINYAGZKZXFJ-UHFFFAOYSA-N 0 0 441.582 3.977 50 0 IHAARN Cc1ccn2cc(CNC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000084250798 568796440 /nfs/dbraw/zinc/79/64/40/568796440.db2.gz XBKPVVBKVRNFSG-FQEVSTJZSA-N 0 0 427.346 3.859 50 0 IHAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000084490114 568798065 /nfs/dbraw/zinc/79/80/65/568798065.db2.gz YNZWLLYOPGWACX-QGZVFWFLSA-N 0 0 441.336 3.720 50 0 IHAARN CC(C)C[C@@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000084509813 568798369 /nfs/dbraw/zinc/79/83/69/568798369.db2.gz NZMIWRUXNSPTIV-OAHLLOKOSA-N 0 0 445.368 3.931 50 0 IHAARN CCOC(=O)c1nn(CN2CCC(c3nc(C)no3)CC2)c2ccc(Br)cc21 ZINC000084798473 568801532 /nfs/dbraw/zinc/80/15/32/568801532.db2.gz HIDMDDRMIBMRDV-UHFFFAOYSA-N 0 0 448.321 3.504 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3F)n2)cc1 ZINC000015670237 568802137 /nfs/dbraw/zinc/80/21/37/568802137.db2.gz KSCHTNDTFNCFJT-KRWDZBQOSA-N 0 0 430.443 3.655 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000015670633 568802660 /nfs/dbraw/zinc/80/26/60/568802660.db2.gz LTDOSGNLMWNGKA-MRXNPFEDSA-N 0 0 436.397 3.924 50 0 IHAARN O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677598 568804522 /nfs/dbraw/zinc/80/45/22/568804522.db2.gz FQMSFLGNKDMLDZ-UHFFFAOYSA-N 0 0 448.567 3.891 50 0 IHAARN Cc1oc2nc(C)nc(N3CCOCC3)c2c1C(=O)Nc1ccc(Br)cc1F ZINC000015727891 568813015 /nfs/dbraw/zinc/81/30/15/568813015.db2.gz JJSGJSHJYJGDLI-UHFFFAOYSA-N 0 0 449.280 3.830 50 0 IHAARN O=C(OCc1cc(-c2ccco2)on1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012809256 568813974 /nfs/dbraw/zinc/81/39/74/568813974.db2.gz JNBLIMCRYVSEOC-UHFFFAOYSA-N 0 0 434.445 3.605 50 0 IHAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(OC)c1 ZINC000015730560 568814091 /nfs/dbraw/zinc/81/40/91/568814091.db2.gz UJIIRYPELCKJCS-SNVBAGLBSA-N 0 0 442.946 3.981 50 0 IHAARN Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Br)cc1 ZINC000015731607 568814433 /nfs/dbraw/zinc/81/44/33/568814433.db2.gz HBVXXPPHLLEXQL-UHFFFAOYSA-N 0 0 426.230 3.784 50 0 IHAARN COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC1 ZINC000015731916 568815065 /nfs/dbraw/zinc/81/50/65/568815065.db2.gz ZNYBBHRXNQYFKD-UHFFFAOYSA-N 0 0 439.585 3.530 50 0 IHAARN O=C(CSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n21)Nc1ccccc1F ZINC000015732550 568815265 /nfs/dbraw/zinc/81/52/65/568815265.db2.gz MXILFJCDGDUMDC-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN C[C@H]1CCCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)C1 ZINC000015732581 568815530 /nfs/dbraw/zinc/81/55/30/568815530.db2.gz RZUIZIIRYGQPSF-HNNXBMFYSA-N 0 0 439.585 3.733 50 0 IHAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccc(CC)cc3)n2)cc1 ZINC000015732634 568815717 /nfs/dbraw/zinc/81/57/17/568815717.db2.gz GUFOENMKLIUMHZ-UHFFFAOYSA-N 0 0 449.536 3.777 50 0 IHAARN COc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCCC3)nn2)c1C ZINC000015734434 568816224 /nfs/dbraw/zinc/81/62/24/568816224.db2.gz PJOWTQSRAGDOFX-UHFFFAOYSA-N 0 0 434.544 3.849 50 0 IHAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000015734388 568816331 /nfs/dbraw/zinc/81/63/31/568816331.db2.gz MAJOLUUZIGJMCD-UHFFFAOYSA-N 0 0 432.572 3.561 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458442 568819341 /nfs/dbraw/zinc/81/93/41/568819341.db2.gz WCEFTKHJYSWKKN-QFIPXVFZSA-N 0 0 426.582 3.569 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C ZINC000015768900 568822141 /nfs/dbraw/zinc/82/21/41/568822141.db2.gz LLHAZSXWFZPOLT-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2n1 ZINC000006095009 568824478 /nfs/dbraw/zinc/82/44/78/568824478.db2.gz VWUCXWRFLIZSDW-UHFFFAOYSA-N 0 0 440.308 3.515 50 0 IHAARN COc1ccc([C@@H](O)c2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006101794 568826004 /nfs/dbraw/zinc/82/60/04/568826004.db2.gz MPQVPRSTYDTCGH-HSZRJFAPSA-N 0 0 443.521 3.903 50 0 IHAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000026040588 568826554 /nfs/dbraw/zinc/82/65/54/568826554.db2.gz JTDSVNWIJPTEBK-UHFFFAOYSA-N 0 0 440.883 3.905 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)ccc21 ZINC000015784335 568827401 /nfs/dbraw/zinc/82/74/01/568827401.db2.gz IIDSYFCBTISKHP-SFHVURJKSA-N 0 0 445.972 3.549 50 0 IHAARN O=S(=O)(c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)N1CCCCC1 ZINC000085642007 568829057 /nfs/dbraw/zinc/82/90/57/568829057.db2.gz YNZMXKQGFYZFPP-UHFFFAOYSA-N 0 0 438.303 3.934 50 0 IHAARN CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000085644399 568829518 /nfs/dbraw/zinc/82/95/18/568829518.db2.gz MPKQXSLVHQLRLY-UHFFFAOYSA-N 0 0 446.463 3.916 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)NC[C@H]2CCCO2)c1C ZINC000085712092 568835363 /nfs/dbraw/zinc/83/53/63/568835363.db2.gz VCKLPQIGYRFNIV-HXUWFJFHSA-N 0 0 443.544 3.708 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)Cc2ccccc2)c1C ZINC000085712505 568835508 /nfs/dbraw/zinc/83/55/08/568835508.db2.gz CULVUANHFBIHBV-UHFFFAOYSA-N 0 0 430.526 3.933 50 0 IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cnn(C)c3)CC(=O)O4)c2=O)cc1 ZINC000085875781 568838197 /nfs/dbraw/zinc/83/81/97/568838197.db2.gz LIKOXBJIIFQIOD-INIZCTEOSA-N 0 0 432.432 3.652 50 0 biogenic IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000012857775 568840436 /nfs/dbraw/zinc/84/04/36/568840436.db2.gz JBBICJCZWHMEMB-WGQQHEPDSA-N 0 0 428.573 3.720 50 0 IHAARN CC[C@@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000015827260 568840870 /nfs/dbraw/zinc/84/08/70/568840870.db2.gz SKRLCDOGSMKLET-MRXNPFEDSA-N 0 0 429.542 3.860 50 0 IHAARN CC1CCN(C(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)CC1 ZINC000015827219 568840913 /nfs/dbraw/zinc/84/09/13/568840913.db2.gz CRKFAKPBMYBILY-UHFFFAOYSA-N 0 0 443.594 3.743 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCCSCC2)c(O)c1)c1cccc(Br)c1 ZINC000063760782 568845489 /nfs/dbraw/zinc/84/54/89/568845489.db2.gz ZBZFWSJGCLQNDO-UHFFFAOYSA-N 0 0 435.343 3.986 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nnc(-c2cccs2)o1 ZINC000006147798 568846451 /nfs/dbraw/zinc/84/64/51/568846451.db2.gz VGKXSOPFYSRPPJ-UHFFFAOYSA-N 0 0 449.583 3.888 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1OCC ZINC000015861979 568848485 /nfs/dbraw/zinc/84/84/85/568848485.db2.gz DEGNPLGRUBXXOT-UHFFFAOYSA-N 0 0 435.527 3.718 50 0 IHAARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000026112674 568849757 /nfs/dbraw/zinc/84/97/57/568849757.db2.gz PRPYTHOOOFZHGA-HZTRTUMWSA-N 0 0 448.610 3.658 50 0 IHAARN O=c1cc(COc2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccc(Cl)cn12 ZINC000015865542 568850371 /nfs/dbraw/zinc/85/03/71/568850371.db2.gz BIXIAQWTLYRLEP-UHFFFAOYSA-N 0 0 441.896 3.728 50 0 IHAARN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1 ZINC000015865791 568850523 /nfs/dbraw/zinc/85/05/23/568850523.db2.gz JJQCXXOVDMKBLO-SFHVURJKSA-N 0 0 432.592 3.998 50 0 IHAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000015870391 568851767 /nfs/dbraw/zinc/85/17/67/568851767.db2.gz ZOYDJUQHOLRPHT-UHFFFAOYSA-N 0 0 435.527 3.853 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)n1 ZINC000015879793 568854065 /nfs/dbraw/zinc/85/40/65/568854065.db2.gz BDKQRBBFNHWTLW-GFCCVEGCSA-N 0 0 449.598 3.816 50 0 IHAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc(Cl)cc1 ZINC000015882772 568857448 /nfs/dbraw/zinc/85/74/48/568857448.db2.gz YNTKYYFXFVAPHA-UHFFFAOYSA-N 0 0 426.929 3.560 50 0 IHAARN COC(=O)c1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883358 568857624 /nfs/dbraw/zinc/85/76/24/568857624.db2.gz OYTUGGIXKMMOBD-UHFFFAOYSA-N 0 0 431.423 3.623 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC000016020045 568863250 /nfs/dbraw/zinc/86/32/50/568863250.db2.gz YTMHDBHVHWZHEI-LAUBAEHRSA-N 0 0 437.540 3.800 50 0 IHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCC(C)C)c(O)c3c2)c1 ZINC000006181530 568869074 /nfs/dbraw/zinc/86/90/74/568869074.db2.gz KZSDRFBMAXLZNB-UHFFFAOYSA-N 0 0 441.553 3.722 50 0 IHAARN CC(C)C(=O)Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O ZINC000016047907 568869223 /nfs/dbraw/zinc/86/92/23/568869223.db2.gz DVMPMJNZGQAVGG-UHFFFAOYSA-N 0 0 437.524 3.659 50 0 IHAARN CC(C)Cc1nnc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)[nH]1 ZINC000575444537 568869967 /nfs/dbraw/zinc/86/99/67/568869967.db2.gz WZGVPZWOTDOGRY-QGZVFWFLSA-N 0 0 440.548 3.569 50 0 IHAARN Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3C)CC2)n1C1CCCCC1 ZINC000012942088 568870162 /nfs/dbraw/zinc/87/01/62/568870162.db2.gz FMXHJEJCXGJGAI-UHFFFAOYSA-N 0 0 427.618 3.837 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000012947121 568871308 /nfs/dbraw/zinc/87/13/08/568871308.db2.gz SFZLDVLAAFBHAD-LJQANCHMSA-N 0 0 440.931 3.501 50 0 IHAARN Cc1c(C(=O)N(C)CCOc2ccccc2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012948836 568871614 /nfs/dbraw/zinc/87/16/14/568871614.db2.gz SYJNOVAPEZHEAE-UHFFFAOYSA-N 0 0 425.554 3.952 50 0 IHAARN Cc1nn(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C)c1-c1ccsc1 ZINC000575616256 568881544 /nfs/dbraw/zinc/88/15/44/568881544.db2.gz YGCCMUWHDWXOPN-UHFFFAOYSA-N 0 0 445.610 3.769 50 0 IHAARN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)C1 ZINC000229622580 568886889 /nfs/dbraw/zinc/88/68/89/568886889.db2.gz BGUKNPNAICKVRS-RTBURBONSA-N 0 0 432.524 3.549 50 0 IHAARN O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc(F)c(Cl)c1 ZINC000090582807 568888174 /nfs/dbraw/zinc/88/81/74/568888174.db2.gz UPUHXCUGFXPZFO-UHFFFAOYSA-N 0 0 434.880 3.778 50 0 IHAARN COc1cccc(N2C[C@@H](C(=O)N3CCC(CSc4nc(C)cs4)CC3)CC2=O)c1 ZINC000090608113 568891001 /nfs/dbraw/zinc/89/10/01/568891001.db2.gz CGUGZQSXVFMMJV-KRWDZBQOSA-N 0 0 445.610 3.844 50 0 IHAARN Cc1csc(SCC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 ZINC000090608114 568891003 /nfs/dbraw/zinc/89/10/03/568891003.db2.gz AEZATPXXUISZTO-MRXNPFEDSA-N 0 0 433.574 3.974 50 0 IHAARN COc1cccc2cc(C(=O)NCC(O)(c3cccs3)c3cccs3)c(=O)oc21 ZINC000090617218 568892612 /nfs/dbraw/zinc/89/26/12/568892612.db2.gz MVAGWNUUCCRQGD-UHFFFAOYSA-N 0 0 427.503 3.591 50 0 IHAARN COc1ccc(CCNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000014094262 568892935 /nfs/dbraw/zinc/89/29/35/568892935.db2.gz UDMKDRAGAMXMGQ-XNTDXEJSSA-N 0 0 442.581 3.632 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000064137038 568893490 /nfs/dbraw/zinc/89/34/90/568893490.db2.gz NXXMKOFORGUWMC-ICPLQIHGSA-N 0 0 425.916 3.927 50 0 IHAARN C[C@@H]1Cc2cc(C3=NNC(=Nc4cccc(Cl)c4)SC3)ccc2N1S(C)(=O)=O ZINC000012987002 568895009 /nfs/dbraw/zinc/89/50/09/568895009.db2.gz OIWZIHLXOAIPFR-GFCCVEGCSA-N 0 0 434.974 3.970 50 0 IHAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012998908 568897862 /nfs/dbraw/zinc/89/78/62/568897862.db2.gz ZNFTUUPFBNVYLM-LJQANCHMSA-N 0 0 438.480 3.555 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000013002930 568898591 /nfs/dbraw/zinc/89/85/91/568898591.db2.gz CLGYSNOZHXXFPH-UHFFFAOYSA-N 0 0 439.150 3.929 50 0 IHAARN CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000013004630 568898880 /nfs/dbraw/zinc/89/88/80/568898880.db2.gz LDKXEQSFPJKFDG-UHFFFAOYSA-N 0 0 428.514 3.641 50 0 IHAARN CC[C@@H](C)NC(=O)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccco1 ZINC000013015741 568901559 /nfs/dbraw/zinc/90/15/59/568901559.db2.gz DKZSCZZLERAGOG-VUFYJBQKSA-N 0 0 427.526 3.675 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)n(-c2ccc(C)cc2)n1 ZINC000013019067 568901979 /nfs/dbraw/zinc/90/19/79/568901979.db2.gz VQEIZRWMXKQHHR-UHFFFAOYSA-N 0 0 425.920 3.652 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 ZINC000013022675 568902592 /nfs/dbraw/zinc/90/25/92/568902592.db2.gz GVEKQBYDXBUPBB-NSHDSACASA-N 0 0 443.352 3.934 50 0 IHAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000104371340 568904358 /nfs/dbraw/zinc/90/43/58/568904358.db2.gz JWHWLEDZXWALHO-DQPIFXJKSA-N 0 0 435.505 3.858 50 0 IHAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)C)cc21 ZINC000001757614 568905176 /nfs/dbraw/zinc/90/51/76/568905176.db2.gz UBFFJVIQTQPJQC-UHFFFAOYSA-N 0 0 429.263 3.637 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1Cl ZINC000001790945 568907965 /nfs/dbraw/zinc/90/79/65/568907965.db2.gz AXOBTBMVXPWXJH-UHFFFAOYSA-N 0 0 428.872 3.696 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000238950238 568910461 /nfs/dbraw/zinc/91/04/61/568910461.db2.gz XGWAXENLXPANOL-SHTZXODSSA-N 0 0 441.329 3.999 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3O[C@](O)(c4ccccc4)C[C@H]3c3ccccc3)C2=O)cc1 ZINC000239347099 568911190 /nfs/dbraw/zinc/91/11/90/568911190.db2.gz MCNZCLWFSJUCRG-FXSPECFOSA-N 0 0 428.488 3.851 50 0 IHAARN CC(C)C[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000239667597 568911642 /nfs/dbraw/zinc/91/16/42/568911642.db2.gz BQNWWMSIFUQHFF-YWTNHNAXSA-N 0 0 439.581 3.709 50 0 IHAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000242287968 568912577 /nfs/dbraw/zinc/91/25/77/568912577.db2.gz YJXMFLMYMIYCIG-NUJGCVRESA-N 0 0 425.554 3.915 50 0 IHAARN CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254635 568913614 /nfs/dbraw/zinc/91/36/14/568913614.db2.gz BMQUXFUCWHHGEN-XSDIEEQYSA-N 0 0 449.938 3.962 50 0 IHAARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000245257205 568914093 /nfs/dbraw/zinc/91/40/93/568914093.db2.gz WZBOSIJWIIQYLD-MYGLTJDJSA-N 0 0 449.938 3.964 50 0 IHAARN Cc1cc(C)nc(SC2=C(Nc3cccc(O)c3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000001810749 568915376 /nfs/dbraw/zinc/91/53/76/568915376.db2.gz ZVJSCPICRHRLAW-UHFFFAOYSA-N 0 0 432.505 3.784 50 0 IHAARN COc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)Cc2ccccc2)C2CC2)cc1 ZINC000035745479 568918182 /nfs/dbraw/zinc/91/81/82/568918182.db2.gz VZQXRANWTTWGDS-UHFFFAOYSA-N 0 0 431.536 3.867 50 0 IHAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)c(F)c1 ZINC000016488648 568918194 /nfs/dbraw/zinc/91/81/94/568918194.db2.gz OEHRCUAPNZBUDY-CYBMUJFWSA-N 0 0 430.480 3.920 50 0 IHAARN CCc1ccccc1NC(=O)N[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035753018 568919868 /nfs/dbraw/zinc/91/98/68/568919868.db2.gz FQPDGOQLTQQVGG-ZDUSSCGKSA-N 0 0 425.514 3.925 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917059 568922625 /nfs/dbraw/zinc/92/26/25/568922625.db2.gz VHAXBHXSQDYLMB-SFHVURJKSA-N 0 0 449.290 3.796 50 0 IHAARN COc1c2c(cc3c1[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC3)OCO2 ZINC000035780898 568922682 /nfs/dbraw/zinc/92/26/82/568922682.db2.gz UANHUPNCALBPHC-HSZRJFAPSA-N 0 0 430.504 3.859 50 0 biogenic IHAARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000001931551 568923511 /nfs/dbraw/zinc/92/35/11/568923511.db2.gz GNPMGNCZYUPVLL-JTQLQIEISA-N 0 0 429.687 3.947 50 0 IHAARN COc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2ccncc2)cc1 ZINC000089455488 568925623 /nfs/dbraw/zinc/92/56/23/568925623.db2.gz NRRQKRWLHBGACU-UHFFFAOYSA-N 0 0 448.533 3.700 50 0 IHAARN COc1ccc([N+](=O)[O-])cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000252615661 568926420 /nfs/dbraw/zinc/92/64/20/568926420.db2.gz JUMNNLCSWAOSBY-UHFFFAOYSA-N 0 0 448.487 3.968 50 0 IHAARN CCn1c2cc(NC(=O)NCc3ccc(F)cc3)c(N3CCCC3)cc2n(CC)c1=O ZINC000064449168 568928506 /nfs/dbraw/zinc/92/85/06/568928506.db2.gz SESXBSVGKLBLHJ-UHFFFAOYSA-N 0 0 425.508 3.904 50 0 IHAARN CCc1ccc(-c2nc3sc(N4CCN(C(=O)NC)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064450905 568928908 /nfs/dbraw/zinc/92/89/08/568928908.db2.gz KQAIMJMGEQOWDT-UHFFFAOYSA-N 0 0 441.605 3.692 50 0 IHAARN CC[C@@H](C)NC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450149 568929081 /nfs/dbraw/zinc/92/90/81/568929081.db2.gz FWKUYHGFKJQLTQ-CQSZACIVSA-N 0 0 430.350 3.880 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c1 ZINC000064566017 568932843 /nfs/dbraw/zinc/93/28/43/568932843.db2.gz INJHXFCBHJDODS-UHFFFAOYSA-N 0 0 443.544 3.640 50 0 IHAARN CCOc1ccccc1C(=O)N1CCc2c(c(-c3nc(-c4cccc(F)c4)no3)nn2C)C1 ZINC000064566129 568933016 /nfs/dbraw/zinc/93/30/16/568933016.db2.gz IFYIZMXHZYAMIK-UHFFFAOYSA-N 0 0 447.470 3.873 50 0 IHAARN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCc4cccc(Cl)c4)cc3)C2=O)CC1 ZINC000064567196 568933338 /nfs/dbraw/zinc/93/33/38/568933338.db2.gz VUYNLEWNCKZBON-UHFFFAOYSA-N 0 0 437.927 3.759 50 0 IHAARN Cc1ccc(C)c(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)c1 ZINC000064593873 568936145 /nfs/dbraw/zinc/93/61/45/568936145.db2.gz WEMYJMOYZMGXRA-UHFFFAOYSA-N 0 0 426.448 3.750 50 0 IHAARN Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)c(C)c1 ZINC000064593870 568936174 /nfs/dbraw/zinc/93/61/74/568936174.db2.gz FSVWGHCRFWDRIE-UHFFFAOYSA-N 0 0 426.448 3.750 50 0 IHAARN CCOc1ccc(-n2ccn3c(SCC(=O)c4ccc(C)cc4C)nnc3c2=O)cc1 ZINC000064593808 568936193 /nfs/dbraw/zinc/93/61/93/568936193.db2.gz LYJSHEICJFTGSJ-UHFFFAOYSA-N 0 0 434.521 3.871 50 0 IHAARN O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F ZINC000016689701 568938093 /nfs/dbraw/zinc/93/80/93/568938093.db2.gz YGILSENXZPATQK-GOSISDBHSA-N 0 0 443.518 3.520 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)CC1 ZINC000016690085 568938480 /nfs/dbraw/zinc/93/84/80/568938480.db2.gz QXPZPPAJDAFLKK-LJQANCHMSA-N 0 0 442.585 3.986 50 0 IHAARN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 ZINC000089585418 568938751 /nfs/dbraw/zinc/93/87/51/568938751.db2.gz KCIVZERFLQIVRE-UHFFFAOYSA-N 0 0 443.352 3.883 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000064605024 568939097 /nfs/dbraw/zinc/93/90/97/568939097.db2.gz HPWGCNMWKAPBNF-UHFFFAOYSA-N 0 0 428.851 3.608 50 0 IHAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000064604956 568939100 /nfs/dbraw/zinc/93/91/00/568939100.db2.gz IDRAGZLKAPWNBL-UHFFFAOYSA-N 0 0 442.878 3.862 50 0 IHAARN CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002054669 568941000 /nfs/dbraw/zinc/94/10/00/568941000.db2.gz ZNNZZEIGCBWPBE-UHFFFAOYSA-N 0 0 448.313 3.784 50 0 IHAARN Cn1ncc(Oc2ccccc2)c(Nc2cccc(C(=O)NCc3ccccn3)c2)c1=O ZINC000036061501 568944667 /nfs/dbraw/zinc/94/46/67/568944667.db2.gz IIETYZGOLWTKQF-UHFFFAOYSA-N 0 0 427.464 3.641 50 0 IHAARN COCCNC(=O)c1cccc(Nc2c(Oc3ccc(Cl)c(C)c3)cnn(C)c2=O)c1 ZINC000036073230 568945732 /nfs/dbraw/zinc/94/57/32/568945732.db2.gz DDLNNRDOWKKMRP-UHFFFAOYSA-N 0 0 442.903 3.654 50 0 IHAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2ccncc2)co1)Cc1cc(OC)ccc1OC ZINC000036082600 568946731 /nfs/dbraw/zinc/94/67/31/568946731.db2.gz NOARKEWBSAXIQU-KRWDZBQOSA-N 0 0 438.528 3.818 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036083895 568947520 /nfs/dbraw/zinc/94/75/20/568947520.db2.gz XUBXVONSQKCETC-NRFANRHFSA-N 0 0 428.460 3.817 50 0 IHAARN O=C(c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1)N1CCN(c2ccccc2)CC1 ZINC000064744069 568948862 /nfs/dbraw/zinc/94/88/62/568948862.db2.gz CRBUAMZRWZIKCY-UHFFFAOYSA-N 0 0 446.942 3.733 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)NCc2ccc(Cl)cc2)c1=O ZINC000064746884 568949547 /nfs/dbraw/zinc/94/95/47/568949547.db2.gz OOWSMZXMLPPMQU-UHFFFAOYSA-N 0 0 426.929 3.901 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)CCc4ccccc4)sc3C2)cc1 ZINC000064769069 568953248 /nfs/dbraw/zinc/95/32/48/568953248.db2.gz OYWMUOIDCZDMIR-UHFFFAOYSA-N 0 0 441.578 3.770 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4 ZINC000064775383 568954530 /nfs/dbraw/zinc/95/45/30/568954530.db2.gz WZZDOMWLMOHHME-UHFFFAOYSA-N 0 0 435.553 3.884 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)C1CC1 ZINC000036118010 568955939 /nfs/dbraw/zinc/95/59/39/568955939.db2.gz CXSLBPREUJNPTJ-LJQANCHMSA-N 0 0 442.581 3.910 50 0 IHAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccccc4OC)c(=O)n23)c1 ZINC000064788068 568956422 /nfs/dbraw/zinc/95/64/22/568956422.db2.gz UHWJPPLGUVYTJB-UHFFFAOYSA-N 0 0 437.477 3.701 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788022 568956436 /nfs/dbraw/zinc/95/64/36/568956436.db2.gz DHCPOBIMWDHCTC-UHFFFAOYSA-N 0 0 439.880 3.735 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2ccccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788259 568956620 /nfs/dbraw/zinc/95/66/20/568956620.db2.gz QAHJSPPVYVQUAJ-HSZRJFAPSA-N 0 0 445.519 3.574 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121557 568957860 /nfs/dbraw/zinc/95/78/60/568957860.db2.gz YBISZNYMMVUDOF-IBGZPJMESA-N 0 0 448.560 3.666 50 0 IHAARN CCCNC(=O)N(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036123215 568958482 /nfs/dbraw/zinc/95/84/82/568958482.db2.gz BLZWIJWLSQAOLQ-IBGZPJMESA-N 0 0 433.549 3.834 50 0 IHAARN COc1ccccc1NC(=O)CN1c2nnnn2[C@@H](c2ccccc2)C=C1c1ccccc1 ZINC000064792452 568959206 /nfs/dbraw/zinc/95/92/06/568959206.db2.gz AOZIXZYQYLDNOL-JOCHJYFZSA-N 0 0 438.491 3.771 50 0 IHAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1 ZINC000064792817 568959431 /nfs/dbraw/zinc/95/94/31/568959431.db2.gz SEBHCXGSXHTRFW-HSZRJFAPSA-N 0 0 428.540 3.881 50 0 IHAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(CC[NH+](C)C)C(=O)c1ccco1 ZINC000006722356 568962969 /nfs/dbraw/zinc/96/29/69/568962969.db2.gz LDLILNZWTVZQTH-UHFFFAOYSA-N 0 0 428.577 3.924 50 0 IHAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036150665 568964064 /nfs/dbraw/zinc/96/40/64/568964064.db2.gz LTHGCKQQVJRZKQ-UHFFFAOYSA-N 0 0 439.487 3.606 50 0 IHAARN CC[C@H](C)[C@@H](NC[C@H](O)COc1ccccc1C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036155160 568964652 /nfs/dbraw/zinc/96/46/52/568964652.db2.gz XKSDOHPKVSQBOJ-LZFQIVBZSA-N 0 0 439.512 3.890 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1 ZINC000064818259 568966307 /nfs/dbraw/zinc/96/63/07/568966307.db2.gz YMEZEVXOPZJFHE-IBGZPJMESA-N 0 0 448.498 3.943 50 0 IHAARN COc1ccc(NC(=O)N(C)CCc2noc(COc3ccc(F)cc3)n2)cc1OC ZINC000064840522 568969928 /nfs/dbraw/zinc/96/99/28/568969928.db2.gz FERAVNLTZBDIGM-UHFFFAOYSA-N 0 0 430.436 3.511 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838514 568970163 /nfs/dbraw/zinc/97/01/63/568970163.db2.gz RLCHZHXZYSJWOW-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN COc1ccc2c(c1)[C@H]1NC(=S)N(c3cccc(Cl)c3)[C@@](C)(O2)[C@@H]1C(=O)N(C)C ZINC000036186869 568970334 /nfs/dbraw/zinc/97/03/34/568970334.db2.gz WHZIPDPUCQXYTK-UEXGIBASSA-N 0 0 431.945 3.597 50 0 IHAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064841665 568970527 /nfs/dbraw/zinc/97/05/27/568970527.db2.gz STLMQVHLLQEUKM-UHFFFAOYSA-N 0 0 448.932 3.520 50 0 IHAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842345 568970829 /nfs/dbraw/zinc/97/08/29/568970829.db2.gz UDVCCGNFAUTBKN-LJQANCHMSA-N 0 0 448.479 3.967 50 0 IHAARN COc1cc(NC(=O)N2CCC(CC(=O)NCc3cccc(F)c3)CC2)cc(OC)c1 ZINC000064847318 568971206 /nfs/dbraw/zinc/97/12/06/568971206.db2.gz UUHGOWZBIWQEJK-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN COc1ccc(CCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1OC ZINC000064846911 568972278 /nfs/dbraw/zinc/97/22/78/568972278.db2.gz HBLAHYVQYTWMFO-UHFFFAOYSA-N 0 0 431.577 3.507 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036209473 568973642 /nfs/dbraw/zinc/97/36/42/568973642.db2.gz TTXXFHMBHNMSGU-LAUBAEHRSA-N 0 0 441.597 3.622 50 0 IHAARN Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862351 568974021 /nfs/dbraw/zinc/97/40/21/568974021.db2.gz FCVLOXCVGQVSCA-UHFFFAOYSA-N 0 0 427.570 3.878 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)c1 ZINC000036210870 568974042 /nfs/dbraw/zinc/97/40/42/568974042.db2.gz XBLSYWJCIZSOEA-DEOSSOPVSA-N 0 0 447.579 3.577 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)c1 ZINC000036210871 568974253 /nfs/dbraw/zinc/97/42/53/568974253.db2.gz XBLSYWJCIZSOEA-XMMPIXPASA-N 0 0 447.579 3.577 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210080 568974430 /nfs/dbraw/zinc/97/44/30/568974430.db2.gz NEWBLFGFZCWSFU-HRAATJIYSA-N 0 0 448.007 3.782 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1cc(F)ccc1F ZINC000064866392 568974485 /nfs/dbraw/zinc/97/44/85/568974485.db2.gz JOWIPHDMNOHFQW-UHFFFAOYSA-N 0 0 436.436 3.739 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N1c2ccccc2C[C@@H]1C ZINC000064866652 568974623 /nfs/dbraw/zinc/97/46/23/568974623.db2.gz GUZYYZOFSXSTON-INIZCTEOSA-N 0 0 440.521 3.800 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000064866625 568974699 /nfs/dbraw/zinc/97/46/99/568974699.db2.gz GVNDDXOQQWBLSD-UHFFFAOYSA-N 0 0 432.473 3.909 50 0 IHAARN COc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1 ZINC000064866727 568974833 /nfs/dbraw/zinc/97/48/33/568974833.db2.gz GQQIONGWKUREOK-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036210674 568975123 /nfs/dbraw/zinc/97/51/23/568975123.db2.gz KPIMMHUDFHEGBM-HYBUGGRVSA-N 0 0 449.595 3.869 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000064868344 568975466 /nfs/dbraw/zinc/97/54/66/568975466.db2.gz FNLPQDCSMFRIGR-UHFFFAOYSA-N 0 0 430.551 3.883 50 0 IHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036212830 568976682 /nfs/dbraw/zinc/97/66/82/568976682.db2.gz IMEQFZDSVZSIKQ-HSZRJFAPSA-N 0 0 435.568 3.514 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036213139 568976824 /nfs/dbraw/zinc/97/68/24/568976824.db2.gz CEZVKKFCTWRNBY-PGRDOPGGSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036213469 568977450 /nfs/dbraw/zinc/97/74/50/568977450.db2.gz KRRUYOKJZNESOA-XMMPIXPASA-N 0 0 447.579 3.577 50 0 IHAARN COc1ccccc1OCCNC(=O)C1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1 ZINC000064872825 568978134 /nfs/dbraw/zinc/97/81/34/568978134.db2.gz AQFUIQZJQQEUQU-UHFFFAOYSA-N 0 0 446.551 3.872 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873364 568978257 /nfs/dbraw/zinc/97/82/57/568978257.db2.gz JEESDXDIWIXRKD-UHFFFAOYSA-N 0 0 429.451 3.881 50 0 IHAARN O=C(NCCc1ccco1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873481 568978461 /nfs/dbraw/zinc/97/84/61/568978461.db2.gz OAPDUJNNUYIADD-UHFFFAOYSA-N 0 0 433.439 3.516 50 0 IHAARN CCn1c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc2nc(C)c1=O ZINC000064890326 568981345 /nfs/dbraw/zinc/98/13/45/568981345.db2.gz HFTVIOYLQQSRAI-KRWDZBQOSA-N 0 0 429.480 3.604 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1 ZINC000064892353 568983012 /nfs/dbraw/zinc/98/30/12/568983012.db2.gz XRKBBJFNTIBCAZ-UHFFFAOYSA-N 0 0 436.555 3.598 50 0 IHAARN O=C(c1ccccc1)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250533 568983777 /nfs/dbraw/zinc/98/37/77/568983777.db2.gz JSZUACIAIZWRPP-RUZDIDTESA-N 0 0 431.580 3.588 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000036250422 568983800 /nfs/dbraw/zinc/98/38/00/568983800.db2.gz UKXXOSGCDKKBJG-JOCHJYFZSA-N 0 0 432.008 3.915 50 0 IHAARN CC1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000036250445 568983805 /nfs/dbraw/zinc/98/38/05/568983805.db2.gz GLUDRECBZIFCAK-QFIPXVFZSA-N 0 0 432.008 3.915 50 0 IHAARN CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036253155 568984334 /nfs/dbraw/zinc/98/43/34/568984334.db2.gz MTGQSOMQKJYEIF-LJQANCHMSA-N 0 0 426.388 3.836 50 0 IHAARN Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000036255288 568985033 /nfs/dbraw/zinc/98/50/33/568985033.db2.gz PZZBCCPALLGGNN-DEOSSOPVSA-N 0 0 437.559 3.767 50 0 IHAARN O=C(Nc1ccccc1F)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064927967 568986753 /nfs/dbraw/zinc/98/67/53/568986753.db2.gz QKAXEURVVSROCB-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NCc1ccccc1Cl)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000064927382 568987046 /nfs/dbraw/zinc/98/70/46/568987046.db2.gz XOUOQLPBGZIIQC-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000064928133 568987507 /nfs/dbraw/zinc/98/75/07/568987507.db2.gz SUTMZIAOXNACSV-UHFFFAOYSA-N 0 0 444.597 3.728 50 0 IHAARN O=C(Nc1cc(F)ccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928451 568987571 /nfs/dbraw/zinc/98/75/71/568987571.db2.gz XMJSIQDQJGJXQB-AWEZNQCLSA-N 0 0 428.414 3.505 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928514 568987592 /nfs/dbraw/zinc/98/75/92/568987592.db2.gz UORHYXWFNUPIPM-KRWDZBQOSA-N 0 0 440.906 3.558 50 0 IHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930913 568989259 /nfs/dbraw/zinc/98/92/59/568989259.db2.gz QWYDMSQYJFYLMN-INIZCTEOSA-N 0 0 446.529 3.764 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000064940890 568989482 /nfs/dbraw/zinc/98/94/82/568989482.db2.gz WMLXKCYJWVDMFK-GOSISDBHSA-N 0 0 442.566 3.933 50 0 IHAARN CCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680030 568990521 /nfs/dbraw/zinc/99/05/21/568990521.db2.gz JSEQZLVYTPZOLX-UQBPGWFLSA-N 0 0 439.625 3.863 50 0 IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O ZINC000064942369 568991254 /nfs/dbraw/zinc/99/12/54/568991254.db2.gz AROMVUBALKUGEZ-UHFFFAOYSA-N 0 0 446.891 3.614 50 0 IHAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000169681415 568992176 /nfs/dbraw/zinc/99/21/76/568992176.db2.gz LLEKRQUQGDDCLN-GOSISDBHSA-N 0 0 439.556 3.755 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@@H](C)CC5)cc1 ZINC000064945811 568993038 /nfs/dbraw/zinc/99/30/38/568993038.db2.gz FFDJGRKOONLKJR-AWEZNQCLSA-N 0 0 435.553 3.993 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1ccc2c(c1)CCC2 ZINC000064945800 568993126 /nfs/dbraw/zinc/99/31/26/568993126.db2.gz GPLBLBFHWMGIKJ-UHFFFAOYSA-N 0 0 433.537 3.502 50 0 IHAARN COc1cc(NC(=O)CSc2ccc(NCc3ccc(F)cc3)nn2)cc(OC)c1 ZINC000064944974 568993414 /nfs/dbraw/zinc/99/34/14/568993414.db2.gz MDABZJRTIMVDKA-UHFFFAOYSA-N 0 0 428.489 3.976 50 0 IHAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C[C@@H](O)COC ZINC000036302930 568993498 /nfs/dbraw/zinc/99/34/98/568993498.db2.gz IXYIGZZAFAEXJV-OAQYLSRUSA-N 0 0 439.556 3.683 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)c(OC)c1 ZINC000064945340 568993695 /nfs/dbraw/zinc/99/36/95/568993695.db2.gz AKVAOTYUMRXJIL-UHFFFAOYSA-N 0 0 436.537 3.787 50 0 IHAARN O=c1n(Cc2cccc(Cl)c2)nc2n1c1ccsc1c(=O)n2Cc1ccc(F)cc1 ZINC000064946251 568993999 /nfs/dbraw/zinc/99/39/99/568993999.db2.gz JRAADFYWWVKNQP-UHFFFAOYSA-N 0 0 440.887 3.762 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cccc(SC)c3)S2(=O)=O)cc1 ZINC000064951857 568997084 /nfs/dbraw/zinc/99/70/84/568997084.db2.gz MAJDQFYBVHYFPZ-UHFFFAOYSA-N 0 0 430.551 3.513 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3cccc(C)c3)cc2C[C@@H]1C ZINC000064959415 568999625 /nfs/dbraw/zinc/99/96/25/568999625.db2.gz NXPICNHJCGIMQA-SFHVURJKSA-N 0 0 437.565 3.621 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OC)c1OC ZINC000064963890 569000784 /nfs/dbraw/zinc/00/07/84/569000784.db2.gz JTLIHBABXHKHMZ-HXUWFJFHSA-N 0 0 435.484 3.540 50 0 IHAARN COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccccc3OC)oc2C)c1C ZINC000064967434 569001890 /nfs/dbraw/zinc/00/18/90/569001890.db2.gz PYZRSSLZVXZCJJ-UHFFFAOYSA-N 0 0 433.468 3.868 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000064972261 569076932 /nfs/dbraw/zinc/07/69/32/569076932.db2.gz FEBWGSUPGBHBLL-HSZRJFAPSA-N 0 0 438.524 3.566 50 0 IHAARN Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)NCc1ccc(F)cc1)c(C)n2C ZINC000064977691 569077562 /nfs/dbraw/zinc/07/75/62/569077562.db2.gz ZOXOVSRAMYCDSJ-UHFFFAOYSA-N 0 0 432.499 3.705 50 0 IHAARN COc1ccc(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1OC ZINC000064978223 569077707 /nfs/dbraw/zinc/07/77/07/569077707.db2.gz CFOBPROWRPOIBS-UHFFFAOYSA-N 0 0 448.494 3.905 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccc(C)cc32)cc1 ZINC000064985784 569082073 /nfs/dbraw/zinc/08/20/73/569082073.db2.gz KFMAEKKGCZMLKI-HSZRJFAPSA-N 0 0 436.533 3.576 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064986344 569082382 /nfs/dbraw/zinc/08/23/82/569082382.db2.gz OGJYOKPCRNPWAB-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN CC1(C)CC(=O)c2cnc3c(C(=O)NCc4cccc(Br)c4)cnn3c2C1 ZINC000064987496 569082488 /nfs/dbraw/zinc/08/24/88/569082488.db2.gz QPOOFNRYTWZJQK-UHFFFAOYSA-N 0 0 427.302 3.577 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1-c1cccs1 ZINC000064987070 569082562 /nfs/dbraw/zinc/08/25/62/569082562.db2.gz IDEYSWCGNJLHPZ-UHFFFAOYSA-N 0 0 430.555 3.596 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064991257 569083563 /nfs/dbraw/zinc/08/35/63/569083563.db2.gz ISEZLNJEHQTATE-UHFFFAOYSA-N 0 0 435.868 3.913 50 0 IHAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c2c1 ZINC000036354317 569084228 /nfs/dbraw/zinc/08/42/28/569084228.db2.gz BHMQGRUGVXIJQN-HSZRJFAPSA-N 0 0 434.540 3.706 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2sc(-c3nnn(-c4ccccc4)c3C)nc2C)c1 ZINC000064998476 569085107 /nfs/dbraw/zinc/08/51/07/569085107.db2.gz IQYLBYXOIFRGCO-UHFFFAOYSA-N 0 0 449.536 3.955 50 0 IHAARN CN(C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1)C1CCCCC1 ZINC000064999905 569086254 /nfs/dbraw/zinc/08/62/54/569086254.db2.gz LRRQQSHZBSDETE-UHFFFAOYSA-N 0 0 448.610 3.841 50 0 IHAARN Cc1cccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)c1 ZINC000064999884 569086311 /nfs/dbraw/zinc/08/63/11/569086311.db2.gz GJYPDCWKSFAXPB-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN COc1ccccc1NC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC)ncn2)CC1 ZINC000065008077 569087326 /nfs/dbraw/zinc/08/73/26/569087326.db2.gz BXGHEHSGAZZZKT-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000065006387 569087361 /nfs/dbraw/zinc/08/73/61/569087361.db2.gz MPLRRZSYUOXDML-UHFFFAOYSA-N 0 0 429.586 3.822 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)NCc4ccc(C)cc4)CC3)ncn2)cc1OC ZINC000065007970 569087423 /nfs/dbraw/zinc/08/74/23/569087423.db2.gz SJKOYJBVSRFUBI-UHFFFAOYSA-N 0 0 447.539 3.501 50 0 IHAARN COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036367305 569087520 /nfs/dbraw/zinc/08/75/20/569087520.db2.gz KWNHBYBJKBQZNK-QFIPXVFZSA-N 0 0 438.499 3.952 50 0 IHAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000065007293 569087631 /nfs/dbraw/zinc/08/76/31/569087631.db2.gz CEGHQBIYGQBXPS-UHFFFAOYSA-N 0 0 437.565 3.764 50 0 IHAARN COCCNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008757 569087733 /nfs/dbraw/zinc/08/77/33/569087733.db2.gz IMQZPZJHVBUKCW-UHFFFAOYSA-N 0 0 425.963 3.702 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)c(OC)c1 ZINC000065007839 569087802 /nfs/dbraw/zinc/08/78/02/569087802.db2.gz DYXGBMQMFZUHID-UHFFFAOYSA-N 0 0 433.512 3.823 50 0 IHAARN Cc1cc(C)cc(Nc2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)c1 ZINC000065009437 569087987 /nfs/dbraw/zinc/08/79/87/569087987.db2.gz SWDJBMTZUCFQNA-UHFFFAOYSA-N 0 0 438.553 3.833 50 0 IHAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3cccnc3)c2oc1C(=O)N1CCCCC1 ZINC000065010571 569088326 /nfs/dbraw/zinc/08/83/26/569088326.db2.gz MHBUYSQHQMVXTE-UHFFFAOYSA-N 0 0 441.553 3.858 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)c(=O)c2c1 ZINC000065034775 569092237 /nfs/dbraw/zinc/09/22/37/569092237.db2.gz PLQBYTVPIWBAMB-UHFFFAOYSA-N 0 0 425.554 3.656 50 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COc1ccc(CNC(=O)[C@@H]2c3ccccc3CC(=O)N2Cc2ccccc2)cc1OC ZINC000065170164 569112693 /nfs/dbraw/zinc/11/26/93/569112693.db2.gz ZYRFLJAAUKBEDW-VWLOTQADSA-N 0 0 430.504 3.646 50 0 IHAARN COc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC4CC4)cc3)CC2)cc1F ZINC000065180157 569113724 /nfs/dbraw/zinc/11/37/24/569113724.db2.gz PHBZOIQTZRLCKU-UHFFFAOYSA-N 0 0 426.488 3.658 50 0 IHAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc(N(C)C)cc4)CC3)n2)cc1 ZINC000065184184 569114021 /nfs/dbraw/zinc/11/40/21/569114021.db2.gz MHRMCZRZTZXUNB-UHFFFAOYSA-N 0 0 435.528 3.629 50 0 IHAARN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NCc2ccc(F)cc2F)c1C ZINC000065194626 569114681 /nfs/dbraw/zinc/11/46/81/569114681.db2.gz NIZPGTIXOKAQTJ-UHFFFAOYSA-N 0 0 436.484 3.809 50 0 IHAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000065199298 569115089 /nfs/dbraw/zinc/11/50/89/569115089.db2.gz YVHGRGKOEUJAFW-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN COc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000065198980 569115098 /nfs/dbraw/zinc/11/50/98/569115098.db2.gz OXMIBQWOQLTOOP-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN CSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1 ZINC000065195516 569115441 /nfs/dbraw/zinc/11/54/41/569115441.db2.gz FIRZPBNDZFYHOK-QGZVFWFLSA-N 0 0 435.549 3.699 50 0 IHAARN Cc1nc2cc(N3C[C@@H](C(=O)NCc4ccc(Br)cc4)CC3=O)ccc2o1 ZINC000065195797 569115616 /nfs/dbraw/zinc/11/56/16/569115616.db2.gz LFGAACDRYTYQAH-AWEZNQCLSA-N 0 0 428.286 3.568 50 0 IHAARN O=C(C1CCC1)N1CCc2sc(S(=O)(=O)NCc3ccc(F)cc3Cl)cc2C1 ZINC000065196289 569115702 /nfs/dbraw/zinc/11/57/02/569115702.db2.gz PAMHXDMNDGVMBL-UHFFFAOYSA-N 0 0 442.965 3.704 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1 ZINC000065209342 569116095 /nfs/dbraw/zinc/11/60/95/569116095.db2.gz KHNCBNMLQQWIIS-LJQANCHMSA-N 0 0 442.972 3.919 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1)c1cc(F)cc(F)c1 ZINC000065209370 569116142 /nfs/dbraw/zinc/11/61/42/569116142.db2.gz FCIJNIKTDKUFGM-GOSISDBHSA-N 0 0 430.480 3.615 50 0 IHAARN O=C(N[C@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1cccc(Br)c1 ZINC000065209489 569116195 /nfs/dbraw/zinc/11/61/95/569116195.db2.gz MWBKMHUBQAAIRS-KRWDZBQOSA-N 0 0 427.302 3.952 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c(OC)c1 ZINC000065210578 569116343 /nfs/dbraw/zinc/11/63/43/569116343.db2.gz DCQOQAOVNZFBDK-UHFFFAOYSA-N 0 0 438.505 3.708 50 0 IHAARN COc1ccc(CNC(=O)c2cc3c(n2C)CCN(Cc2ccc(F)cc2)C3)cc1OC ZINC000065211060 569116430 /nfs/dbraw/zinc/11/64/30/569116430.db2.gz FDNUGPFSJKBOQS-UHFFFAOYSA-N 0 0 437.515 3.670 50 0 IHAARN COc1cccc(-c2cc(C3CCN(S(=O)(=O)c4cccc(OC)c4)CC3)[nH]n2)c1 ZINC000065225960 569117835 /nfs/dbraw/zinc/11/78/35/569117835.db2.gz QUPGZJJXGQCEAO-UHFFFAOYSA-N 0 0 427.526 3.662 50 0 IHAARN CCc1nc2cc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)cnc2nc1CC ZINC000065227506 569118149 /nfs/dbraw/zinc/11/81/49/569118149.db2.gz UMHJEWXOWMQLKN-UHFFFAOYSA-N 0 0 447.539 3.776 50 0 IHAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000065233299 569119239 /nfs/dbraw/zinc/11/92/39/569119239.db2.gz GUELOYJKGPOPIZ-UHFFFAOYSA-N 0 0 428.330 3.651 50 0 IHAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)Nc1cc(Cl)ccc1OC)CC2 ZINC000065235470 569119251 /nfs/dbraw/zinc/11/92/51/569119251.db2.gz OHSPRCXODHTCKX-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3C)c(C)c1 ZINC000065235562 569119280 /nfs/dbraw/zinc/11/92/80/569119280.db2.gz RPYLXEWMYIATQR-UHFFFAOYSA-N 0 0 428.920 3.861 50 0 biogenic IHAARN CC[C@@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)no1 ZINC000065235802 569119305 /nfs/dbraw/zinc/11/93/05/569119305.db2.gz ZTSBCGQTIGZXIY-LJQANCHMSA-N 0 0 432.528 3.667 50 0 IHAARN Cc1ccc(-n2cc(-c3noc(C(=O)Nc4ccc(Br)cc4)n3)nn2)cc1 ZINC000065236676 569119636 /nfs/dbraw/zinc/11/96/36/569119636.db2.gz DXGZNAWFTLRJLR-UHFFFAOYSA-N 0 0 425.246 3.641 50 0 IHAARN COc1cc2c(cc(C(=O)N[C@H](C)C(=O)Nc3nc4ccccc4s3)n2C)c(OC)c1 ZINC000036580016 569119752 /nfs/dbraw/zinc/11/97/52/569119752.db2.gz VDMYCUGIPIZBBT-GFCCVEGCSA-N 0 0 438.509 3.562 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)cc1OC ZINC000065245202 569121598 /nfs/dbraw/zinc/12/15/98/569121598.db2.gz LLHCLLPZRWMQSI-INIZCTEOSA-N 0 0 425.533 3.703 50 0 IHAARN COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c(OC)c1 ZINC000065245247 569121661 /nfs/dbraw/zinc/12/16/61/569121661.db2.gz YNHGJMISGQSCGA-MRXNPFEDSA-N 0 0 425.533 3.703 50 0 IHAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCCC5)o4)co3)CC2)cc1 ZINC000065246704 569121873 /nfs/dbraw/zinc/12/18/73/569121873.db2.gz PMINELBDJXKRPO-UHFFFAOYSA-N 0 0 442.541 3.807 50 0 IHAARN O=S(=O)(c1cc(-c2nnc(C3CCCC3)o2)co1)N1CCN(C2CCCCC2)CC1 ZINC000065246693 569121954 /nfs/dbraw/zinc/12/19/54/569121954.db2.gz FUHDZRQDRYEBOX-UHFFFAOYSA-N 0 0 434.562 3.626 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCC5)o4)co3)CC2)c1C ZINC000065246669 569121969 /nfs/dbraw/zinc/12/19/69/569121969.db2.gz FGMRMJWHEMEXNU-UHFFFAOYSA-N 0 0 442.541 3.725 50 0 IHAARN CC(C)Cn1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccnc21 ZINC000065242281 569122054 /nfs/dbraw/zinc/12/20/54/569122054.db2.gz ISHQPZIGSYHXRY-UHFFFAOYSA-N 0 0 432.977 3.857 50 0 IHAARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000036615220 569122362 /nfs/dbraw/zinc/12/23/62/569122362.db2.gz CHPRHDKOWICNJB-UHFFFAOYSA-N 0 0 437.516 3.545 50 0 IHAARN CCn1ncc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C ZINC000036616080 569122777 /nfs/dbraw/zinc/12/27/77/569122777.db2.gz YRJNLSOCAITPJJ-CQSZACIVSA-N 0 0 432.528 3.968 50 0 IHAARN CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2C)CC1 ZINC000065257356 569123352 /nfs/dbraw/zinc/12/33/52/569123352.db2.gz IRILHMFXLVFHOY-UHFFFAOYSA-N 0 0 438.450 3.512 50 0 IHAARN CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C ZINC000036613473 569123873 /nfs/dbraw/zinc/12/38/73/569123873.db2.gz XWCMMSHOTJQLPF-UHFFFAOYSA-N 0 0 432.528 3.749 50 0 IHAARN CCCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CCCC2 ZINC000036614197 569124050 /nfs/dbraw/zinc/12/40/50/569124050.db2.gz QYQFTVRVNLWSNO-HUUCEWRRSA-N 0 0 446.569 3.698 50 0 IHAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 ZINC000065258042 569124271 /nfs/dbraw/zinc/12/42/71/569124271.db2.gz NBOYRRNZRSIRLN-UHFFFAOYSA-N 0 0 434.544 3.674 50 0 IHAARN CCn1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NCc2ccccc2)n1 ZINC000065259931 569124812 /nfs/dbraw/zinc/12/48/12/569124812.db2.gz BIMKLVKXENMJKS-VWLOTQADSA-N 0 0 428.540 3.823 50 0 IHAARN COCCN=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000065259878 569124868 /nfs/dbraw/zinc/12/48/68/569124868.db2.gz NDFKJGCUJKLWCY-JOCHJYFZSA-N 0 0 430.911 3.846 50 0 IHAARN COc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c(OC)c1 ZINC000065265966 569127237 /nfs/dbraw/zinc/12/72/37/569127237.db2.gz BEYWDYSQAOOAJC-VWLOTQADSA-N 0 0 436.556 3.510 50 0 IHAARN COc1ccccc1CCC(=O)N1CCCn2nc(-c3ccc(OC)c(OC)c3)cc2C1 ZINC000065270168 569127985 /nfs/dbraw/zinc/12/79/85/569127985.db2.gz UXDHJKUAPHGAES-UHFFFAOYSA-N 0 0 435.524 3.941 50 0 IHAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000524735607 569128160 /nfs/dbraw/zinc/12/81/60/569128160.db2.gz NCNANDITVUAECD-JOCHJYFZSA-N 0 0 427.545 3.891 50 0 IHAARN C=C1C(N2CCC(NC(=O)Nc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271822 569128632 /nfs/dbraw/zinc/12/86/32/569128632.db2.gz JTFRRURASBUEEO-UHFFFAOYSA-N 0 0 442.516 3.585 50 0 IHAARN COc1cccc(CC(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2)c1 ZINC000065272407 569128918 /nfs/dbraw/zinc/12/89/18/569128918.db2.gz AUSOYVGYAOGFBB-UHFFFAOYSA-N 0 0 434.471 3.853 50 0 IHAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)c(C)c2)CC3)CC1 ZINC000065273380 569129496 /nfs/dbraw/zinc/12/94/96/569129496.db2.gz TVVIBNUAGOCOED-OAHLLOKOSA-N 0 0 432.977 3.517 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(Cl)cc2C)CC3)CC1 ZINC000065273474 569129574 /nfs/dbraw/zinc/12/95/74/569129574.db2.gz YFKTZEORUAULTR-OAHLLOKOSA-N 0 0 447.004 3.907 50 0 IHAARN Cc1ccccc1NC(=O)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273707 569129979 /nfs/dbraw/zinc/12/99/79/569129979.db2.gz QQZNMLLRFAHMGQ-SFHVURJKSA-N 0 0 438.597 3.644 50 0 IHAARN COC(=O)c1cccc(NC(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)c1 ZINC000065283398 569130083 /nfs/dbraw/zinc/13/00/83/569130083.db2.gz ZTBBUMYDYLIUEU-UHFFFAOYSA-N 0 0 428.539 3.592 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2cccc(F)c2)CC3)C1 ZINC000065291993 569130501 /nfs/dbraw/zinc/13/05/01/569130501.db2.gz ZMFSLINDQWNWJS-GOSISDBHSA-N 0 0 428.504 3.701 50 0 IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065307552 569132402 /nfs/dbraw/zinc/13/24/02/569132402.db2.gz DFCVFJCCDQWCDA-QFIPXVFZSA-N 0 0 430.483 3.661 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1 ZINC000065315491 569134118 /nfs/dbraw/zinc/13/41/18/569134118.db2.gz JRVCHURQAOQUMD-IRXDYDNUSA-N 0 0 429.565 3.909 50 0 IHAARN O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000036705524 569134341 /nfs/dbraw/zinc/13/43/41/569134341.db2.gz CESWUVJSNBSMKG-UHFFFAOYSA-N 0 0 429.440 3.821 50 0 IHAARN COc1ccc(/C=C\C(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1OC ZINC000036705535 569134380 /nfs/dbraw/zinc/13/43/80/569134380.db2.gz ULLRUDCJFMVZMF-LUJNMSEFSA-N 0 0 432.480 3.563 50 0 IHAARN O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000036700399 569135314 /nfs/dbraw/zinc/13/53/14/569135314.db2.gz CFWVWUJLGXDRCI-DEOSSOPVSA-N 0 0 428.598 3.697 50 0 IHAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 ZINC000065314118 569135437 /nfs/dbraw/zinc/13/54/37/569135437.db2.gz GPSIMHYBSIICED-DEOSSOPVSA-N 0 0 444.579 3.948 50 0 IHAARN O=C([C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 ZINC000036701225 569135565 /nfs/dbraw/zinc/13/55/65/569135565.db2.gz CPSXDLZHVXUVJT-MCSIRMTHSA-N 0 0 435.612 3.538 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)c4cccnc4)CC3)sc12 ZINC000065314715 569135607 /nfs/dbraw/zinc/13/56/07/569135607.db2.gz KHFCYUKRFDCEMI-UHFFFAOYSA-N 0 0 432.553 3.846 50 0 IHAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 ZINC000065320206 569136029 /nfs/dbraw/zinc/13/60/29/569136029.db2.gz QTJPWIHXZQHKBO-UHFFFAOYSA-N 0 0 439.541 3.541 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)c(Cl)c1 ZINC000065319816 569136041 /nfs/dbraw/zinc/13/60/41/569136041.db2.gz XXWYVEXZJGSPGI-UHFFFAOYSA-N 0 0 449.989 3.683 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000238830279 569137211 /nfs/dbraw/zinc/13/72/11/569137211.db2.gz FTCQHCHBEXFKHP-UHFFFAOYSA-N 0 0 448.306 3.651 50 0 IHAARN CSc1ncc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000036852494 569138560 /nfs/dbraw/zinc/13/85/60/569138560.db2.gz AMGGPWMYCWAZOL-OAHLLOKOSA-N 0 0 427.501 3.937 50 0 IHAARN CN(CC(=O)Nc1ccnn1Cc1ccsc1)C(=O)c1ccc(Br)s1 ZINC000065552420 569139759 /nfs/dbraw/zinc/13/97/59/569139759.db2.gz ODOLQGDQXVDSQM-UHFFFAOYSA-N 0 0 439.360 3.528 50 0 IHAARN Cc1csc(Sc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2Cl)n1 ZINC000065567426 569139855 /nfs/dbraw/zinc/13/98/55/569139855.db2.gz PSGLONXAUDSHOI-UHFFFAOYSA-N 0 0 443.941 4.000 50 0 IHAARN COc1cccc(OCC(=O)OCC(=O)c2ccc(-n3nncc3-c3cccs3)cc2)c1 ZINC000065595644 569140075 /nfs/dbraw/zinc/14/00/75/569140075.db2.gz UDRLXXNQYTYECG-UHFFFAOYSA-N 0 0 449.488 3.809 50 0 IHAARN COC(=O)[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000065614216 569140248 /nfs/dbraw/zinc/14/02/48/569140248.db2.gz IJNIFFFKIZWOKT-MRXNPFEDSA-N 0 0 446.219 3.877 50 0 IHAARN O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000170599633 569142594 /nfs/dbraw/zinc/14/25/94/569142594.db2.gz AMRBVQVCGUHJJS-GOSISDBHSA-N 0 0 432.398 3.824 50 0 IHAARN O=S(=O)(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000170619793 569147492 /nfs/dbraw/zinc/14/74/92/569147492.db2.gz FBKPOHDSMVRQSD-CQSZACIVSA-N 0 0 430.839 3.739 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000009757067 569148989 /nfs/dbraw/zinc/14/89/89/569148989.db2.gz MBUOUGHPJZJXOD-UHFFFAOYSA-N 0 0 431.455 3.528 50 0 IHAARN CCc1ccccc1-n1c(SCc2nnc(-c3ccco3)o2)nnc1N1CCOCC1 ZINC000009870469 569149404 /nfs/dbraw/zinc/14/94/04/569149404.db2.gz MTRCLKRVFLZNFE-UHFFFAOYSA-N 0 0 438.513 3.602 50 0 IHAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1OCc1ccccc1 ZINC000009882389 569149669 /nfs/dbraw/zinc/14/96/69/569149669.db2.gz WYGODEKQKVDNGR-UHFFFAOYSA-N 0 0 443.503 3.791 50 0 IHAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009883733 569150098 /nfs/dbraw/zinc/15/00/98/569150098.db2.gz KUQMYGGHOMMFJX-PGRDOPGGSA-N 0 0 430.504 3.676 50 0 IHAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009883739 569150142 /nfs/dbraw/zinc/15/01/42/569150142.db2.gz KUQMYGGHOMMFJX-GCJKJVERSA-N 0 0 430.504 3.676 50 0 IHAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009883866 569150236 /nfs/dbraw/zinc/15/02/36/569150236.db2.gz QSFXGSLHVGVAAP-QFBILLFUSA-N 0 0 436.533 3.738 50 0 IHAARN CCOC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1oc(CO)cc(=O)c1O ZINC000071283109 569150634 /nfs/dbraw/zinc/15/06/34/569150634.db2.gz LPTXTQHLWIDJKE-OAQYLSRUSA-N 0 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Cc1ccc2nc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)sc2c1 ZINC000010218180 569153352 /nfs/dbraw/zinc/15/33/52/569153352.db2.gz PAHDWVBBLMPWPM-UHFFFAOYSA-N 0 0 445.610 3.753 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000010217924 569153367 /nfs/dbraw/zinc/15/33/67/569153367.db2.gz JBGONXHJWULGCR-AZUAARDMSA-N 0 0 448.610 3.911 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000010218296 569153489 /nfs/dbraw/zinc/15/34/89/569153489.db2.gz MTWKBFLDGPPLHH-UHFFFAOYSA-N 0 0 430.507 3.731 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000010219598 569153718 /nfs/dbraw/zinc/15/37/18/569153718.db2.gz YIOXOYKVCWFHHN-UHFFFAOYSA-N 0 0 425.492 3.865 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2nnc(C)s2)cc1=O ZINC000010254736 569154191 /nfs/dbraw/zinc/15/41/91/569154191.db2.gz WUNXCZLMMKESCZ-UHFFFAOYSA-N 0 0 430.555 3.565 50 0 IHAARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](Sc3cccc(N)c3)C1=O)CCCC2 ZINC000013576106 569155882 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O=C(NCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000014629602 569159557 /nfs/dbraw/zinc/15/95/57/569159557.db2.gz AATWTBNCKUBDQW-UHFFFAOYSA-N 0 0 426.991 3.939 50 0 IHAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O ZINC000014625200 569159574 /nfs/dbraw/zinc/15/95/74/569159574.db2.gz QGDLBNWUBCOCHD-UHFFFAOYSA-N 0 0 440.569 3.698 50 0 IHAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 ZINC000089614477 569159796 /nfs/dbraw/zinc/15/97/96/569159796.db2.gz XVBJGCPDIZOQJG-UHFFFAOYSA-N 0 0 432.611 3.545 50 0 IHAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000089643163 569160395 /nfs/dbraw/zinc/16/03/95/569160395.db2.gz CLOCEJWZFAABHN-UHFFFAOYSA-N 0 0 429.947 3.826 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)c1ccccc1Cl ZINC000089643165 569160427 /nfs/dbraw/zinc/16/04/27/569160427.db2.gz LYPPTBMKUNQSIS-UHFFFAOYSA-N 0 0 435.929 3.863 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000016819004 569162403 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/nfs/dbraw/zinc/17/42/60/569174260.db2.gz PKWWUCCIOHOURQ-UHFFFAOYSA-N 0 0 445.957 3.779 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)c1 ZINC000017135548 569174356 /nfs/dbraw/zinc/17/43/56/569174356.db2.gz SNCYYFJVMSXXKH-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 ZINC000017136100 569174479 /nfs/dbraw/zinc/17/44/79/569174479.db2.gz FTSBNNWXNUKYDQ-UHFFFAOYSA-N 0 0 447.564 3.989 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000008912714 569174586 /nfs/dbraw/zinc/17/45/86/569174586.db2.gz UKWUMFTUTPTMIL-UHFFFAOYSA-N 0 0 430.574 3.883 50 0 IHAARN NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 ZINC000017150050 569174987 /nfs/dbraw/zinc/17/49/87/569174987.db2.gz KZTWVQMXMQGAJA-UHFFFAOYSA-N 0 0 433.777 3.547 50 0 IHAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cncc(Br)c1 ZINC000017156456 569175093 /nfs/dbraw/zinc/17/50/93/569175093.db2.gz IUPHUMIOABAILF-UHFFFAOYSA-N 0 0 433.306 3.882 50 0 IHAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)c1 ZINC000001051881 569176423 /nfs/dbraw/zinc/17/64/23/569176423.db2.gz RGTNVJHMPWFOFY-UHFFFAOYSA-N 0 0 428.963 3.766 50 0 IHAARN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000002825101 569177413 /nfs/dbraw/zinc/17/74/13/569177413.db2.gz ATKNQRAKZFLSKB-OQLLNIDSSA-N 0 0 439.848 3.561 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000002871811 569177579 /nfs/dbraw/zinc/17/75/79/569177579.db2.gz LHYWOJPTJBYIJM-QGZVFWFLSA-N 0 0 446.212 3.734 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000002876877 569177613 /nfs/dbraw/zinc/17/76/13/569177613.db2.gz KJWYXEDMPSEIOE-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 ZINC000002094472 569179150 /nfs/dbraw/zinc/17/91/50/569179150.db2.gz DQDJIXJABXRLRL-CQSZACIVSA-N 0 0 449.912 3.644 50 0 IHAARN COc1cc2c(cc1NC(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)oc1ccccc12 ZINC000027152565 569181870 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3.848 50 0 IHAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(C)c1 ZINC000037398920 569194190 /nfs/dbraw/zinc/19/41/90/569194190.db2.gz ZZFBAYWZESQJAM-UHFFFAOYSA-N 0 0 444.579 3.900 50 0 IHAARN O=C(Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000037399245 569194386 /nfs/dbraw/zinc/19/43/86/569194386.db2.gz PEMGUKJLVMQFIE-UHFFFAOYSA-N 0 0 441.821 3.723 50 0 IHAARN CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n([C@H](C)C(=O)NCC(C)C)c2=O)cc1 ZINC000037403341 569194930 /nfs/dbraw/zinc/19/49/30/569194930.db2.gz CFKPSWOVMAMTMN-OAHLLOKOSA-N 0 0 443.931 3.538 50 0 IHAARN CC(C)C(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000037400571 569194961 /nfs/dbraw/zinc/19/49/61/569194961.db2.gz ARWGAILXOHQFNZ-LJQANCHMSA-N 0 0 435.517 3.757 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C[C@H]2CCCO2)C(=O)C(C)C)cc1 ZINC000037400733 569195058 /nfs/dbraw/zinc/19/50/58/569195058.db2.gz HBNKQYXIWJBNIW-HXUWFJFHSA-N 0 0 447.553 3.627 50 0 IHAARN CO[C@@H]1C[C@@H](c2nc(-c3cccnc3)c[nH]2)N(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000170682980 569195481 /nfs/dbraw/zinc/19/54/81/569195481.db2.gz UJWSFBBTPCUMGX-XLIONFOSSA-N 0 0 442.466 3.898 50 0 IHAARN COc1nc(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)cc2ccccc21 ZINC000170682946 569195495 /nfs/dbraw/zinc/19/54/95/569195495.db2.gz PXRKLPTWLVTWBH-DYESRHJHSA-N 0 0 429.480 3.631 50 0 IHAARN COCCN(CCC(=O)NCc1ccco1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426100 569195744 /nfs/dbraw/zinc/19/57/44/569195744.db2.gz IFFOEIWUVBBVAS-UHFFFAOYSA-N 0 0 442.541 3.583 50 0 IHAARN COc1cccc(CN2c3ccccc3S/C(=C/C(=O)NCc3cccnc3)C2=O)c1 ZINC000037452381 569197287 /nfs/dbraw/zinc/19/72/87/569197287.db2.gz GDGIUAZKMUULLZ-LPYMAVHISA-N 0 0 431.517 3.929 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000252617460 569197792 /nfs/dbraw/zinc/19/77/92/569197792.db2.gz KTENBXQFCAFJKA-RDYKHUHBSA-N 0 0 442.540 3.738 50 0 IHAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000037526316 569199068 /nfs/dbraw/zinc/19/90/68/569199068.db2.gz GAWTUVIYULAEQC-GOSISDBHSA-N 0 0 443.613 3.718 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1cc2sc(Br)cc2n1C[C@H]1CCCCO1 ZINC000037542081 569199800 /nfs/dbraw/zinc/19/98/00/569199800.db2.gz QDSVCOSVPZSJFB-CHWSQXEVSA-N 0 0 427.364 3.943 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602820 569202556 /nfs/dbraw/zinc/20/25/56/569202556.db2.gz ZGKQKQMIWCQJSY-ATIYNZHBSA-N 0 0 436.552 3.553 50 0 IHAARN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)cc1 ZINC000037611222 569203058 /nfs/dbraw/zinc/20/30/58/569203058.db2.gz KXIFEPHQDNFGRQ-NRFANRHFSA-N 0 0 446.551 3.578 50 0 IHAARN CC1(C)SC(=S)N(CCc2ccccc2F)[C@H]1n1oc(=O)n(-c2ccccc2)c1=O ZINC000002217261 569203967 /nfs/dbraw/zinc/20/39/67/569203967.db2.gz HDYQZPBUXYWXSR-KRWDZBQOSA-N 0 0 445.541 3.585 50 0 IHAARN Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000195528975 569204163 /nfs/dbraw/zinc/20/41/63/569204163.db2.gz UJAHOXWCYZFTPY-MBOZVWFJSA-N 0 0 436.618 3.638 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)c(=Cc3ccoc3)sc2=N1 ZINC000252666302 569209570 /nfs/dbraw/zinc/20/95/70/569209570.db2.gz BBBDYXPIASBCAD-FQEVSTJZSA-N 0 0 447.541 3.528 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000252669069 569209770 /nfs/dbraw/zinc/20/97/70/569209770.db2.gz GKIVQYRQZVDMQG-QHCPKHFHSA-N 0 0 440.524 3.561 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002231770 569210583 /nfs/dbraw/zinc/21/05/83/569210583.db2.gz UPLKQIXODFYQPU-ROUUACIJSA-N 0 0 437.887 3.740 50 0 IHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O ZINC000002249886 569214897 /nfs/dbraw/zinc/21/48/97/569214897.db2.gz CYGSIFGDUIMDIJ-IEBWSBKVSA-N 0 0 432.542 3.942 50 0 IHAARN CC[C@@H](C)NC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002264282 569216035 /nfs/dbraw/zinc/21/60/35/569216035.db2.gz IONMTDDEFRDBBA-OAHLLOKOSA-N 0 0 447.539 3.955 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000043735309 569257806 /nfs/dbraw/zinc/25/78/06/569257806.db2.gz JLTFFELJKDPHEW-SDDDUWNISA-N 0 0 439.343 3.961 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000101134475 569258683 /nfs/dbraw/zinc/25/86/83/569258683.db2.gz UROYZANJRMCQNS-WFXMLNOXSA-N 0 0 426.513 3.576 50 0 IHAARN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000257347273 569263128 /nfs/dbraw/zinc/26/31/28/569263128.db2.gz CDKRMWAXMJVXDE-VCZVVLMXSA-N 0 0 432.557 3.743 50 0 IHAARN CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC(C)(C)OC2 ZINC000002283085 569263592 /nfs/dbraw/zinc/26/35/92/569263592.db2.gz YRAUFZSXTRMOJL-UHFFFAOYSA-N 0 0 433.526 3.975 50 0 IHAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccccc1F)c1cc2ccccc2oc1=O ZINC000027528437 569263632 /nfs/dbraw/zinc/26/36/32/569263632.db2.gz UBFJKGRSHLSRLL-UHFFFAOYSA-N 0 0 427.391 3.693 50 0 IHAARN COCCCn1c(COCc2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253397842 569264668 /nfs/dbraw/zinc/26/46/68/569264668.db2.gz XMCSPQGRQANEMO-JOCHJYFZSA-N 0 0 440.519 3.748 50 0 IHAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002290218 569264707 /nfs/dbraw/zinc/26/47/07/569264707.db2.gz HBZYSMQUVQCZDO-UHFFFAOYSA-N 0 0 437.459 3.815 50 0 IHAARN O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000253408258 569265398 /nfs/dbraw/zinc/26/53/98/569265398.db2.gz XJYXYWIIMVMLKR-HOJAQTOUSA-N 0 0 441.471 3.987 50 0 IHAARN Cn1ncnc1COc1cc(C(F)(F)F)nc2ccc(I)cc21 ZINC000253415857 569266368 /nfs/dbraw/zinc/26/63/68/569266368.db2.gz IMPQTJSVQCGKHZ-UHFFFAOYSA-N 0 0 434.159 3.566 50 0 IHAARN COCCCCN(C(=O)[C@H](C)OC[C@H]1CCCCO1)c1ccc(Br)cn1 ZINC000253430863 569268526 /nfs/dbraw/zinc/26/85/26/569268526.db2.gz XWSVILGBEVRMLN-DOTOQJQBSA-N 0 0 429.355 3.578 50 0 IHAARN CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000002333638 569274077 /nfs/dbraw/zinc/27/40/77/569274077.db2.gz BLDGYPGCAMDUIE-AWEZNQCLSA-N 0 0 427.501 3.790 50 0 IHAARN CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000002333636 569274104 /nfs/dbraw/zinc/27/41/04/569274104.db2.gz BLDGYPGCAMDUIE-CQSZACIVSA-N 0 0 427.501 3.790 50 0 IHAARN C[C@@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000002348820 569282095 /nfs/dbraw/zinc/28/20/95/569282095.db2.gz RARGSHZRRUCCOQ-AWEZNQCLSA-N 0 0 427.595 3.713 50 0 IHAARN CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 ZINC000253499947 569283432 /nfs/dbraw/zinc/28/34/32/569283432.db2.gz RUQBPCMPFRJFIH-ZZELSQNKSA-N 0 0 432.557 3.698 50 0 biogenic IHAARN O=C(Nc1cn2c(cccc2Br)n1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000253630175 569284583 /nfs/dbraw/zinc/28/45/83/569284583.db2.gz VGMSTPNAXBYHTG-LJQANCHMSA-N 0 0 427.302 3.789 50 0 IHAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252496577 569288044 /nfs/dbraw/zinc/28/80/44/569288044.db2.gz PLYYJXHJEUESFG-QFIPXVFZSA-N 0 0 430.508 3.619 50 0 IHAARN COc1cc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)ccc1OCc1ccccc1 ZINC000002376059 569289344 /nfs/dbraw/zinc/28/93/44/569289344.db2.gz JAXXCDOKAQUBEX-PXLXIMEGSA-N 0 0 441.512 3.953 50 0 IHAARN COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000002388540 569295826 /nfs/dbraw/zinc/29/58/26/569295826.db2.gz FIAJVEJCJRIQBK-ZAOIQFLMSA-N 0 0 449.956 3.586 50 0 IHAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000002390926 569297671 /nfs/dbraw/zinc/29/76/71/569297671.db2.gz UXLUMINOBNLPDQ-ZWKOTPCHSA-N 0 0 437.887 3.740 50 0 IHAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)NCc1ccco1 ZINC000009674260 569297703 /nfs/dbraw/zinc/29/77/03/569297703.db2.gz YTHVVTWEWHRBPX-HXUWFJFHSA-N 0 0 430.489 3.660 50 0 IHAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002400546 569299527 /nfs/dbraw/zinc/29/95/27/569299527.db2.gz CGMLYPMOYUVRPL-GOSISDBHSA-N 0 0 447.472 3.798 50 0 IHAARN O=C(NCSc1ccnc(SCNC(=O)c2ccccc2F)n1)c1ccccc1F ZINC000002401533 569299633 /nfs/dbraw/zinc/29/96/33/569299633.db2.gz QJBNMIQOJBGWEA-UHFFFAOYSA-N 0 0 446.504 3.714 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000002402276 569299781 /nfs/dbraw/zinc/29/97/81/569299781.db2.gz CKNGXGZNVBBRSW-KSFYIVLOSA-N 0 0 435.476 3.843 50 0 IHAARN COc1ccc(CCn2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002417407 569301455 /nfs/dbraw/zinc/30/14/55/569301455.db2.gz SHDKTUKEYJCUKY-SFHVURJKSA-N 0 0 446.507 3.754 50 0 IHAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000002417662 569301621 /nfs/dbraw/zinc/30/16/21/569301621.db2.gz XRPVYFZMIKMOCA-AWEZNQCLSA-N 0 0 442.928 3.832 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)CC2=O)c(OC)c1 ZINC000257199388 569301818 /nfs/dbraw/zinc/30/18/18/569301818.db2.gz FHSXSNPSRYDCDL-FOIQADDNSA-N 0 0 433.508 3.732 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c1 ZINC000013009642 569306619 /nfs/dbraw/zinc/30/66/19/569306619.db2.gz JTQGKVKHWRUIDB-UHFFFAOYSA-N 0 0 430.468 3.984 50 0 IHAARN O=C(C=Cc1cccc2cccnc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013008697 569306643 /nfs/dbraw/zinc/30/66/43/569306643.db2.gz NASJOYNKCJDBND-DRUFCSCSSA-N 0 0 440.503 3.692 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000013010268 569306724 /nfs/dbraw/zinc/30/67/24/569306724.db2.gz JQMMHQFBVJSVJH-UHFFFAOYSA-N 0 0 441.871 3.632 50 0 IHAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 ZINC000013010565 569306866 /nfs/dbraw/zinc/30/68/66/569306866.db2.gz IVLKWVGTDSKORT-UHFFFAOYSA-N 0 0 446.554 3.609 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)cc12 ZINC000013096023 569309488 /nfs/dbraw/zinc/30/94/88/569309488.db2.gz JFLPLNNLOSMYHH-UHFFFAOYSA-N 0 0 448.504 3.578 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096365 569309621 /nfs/dbraw/zinc/30/96/21/569309621.db2.gz VVMOMEBYGVQMAO-JXFKEZNVSA-N 0 0 444.553 3.957 50 0 IHAARN CSc1nc(C)c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1 ZINC000013120810 569311099 /nfs/dbraw/zinc/31/10/99/569311099.db2.gz QUUDYEZKNMUKQR-UHFFFAOYSA-N 0 0 448.614 3.561 50 0 IHAARN O=C(COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)NCCc1ccc(F)cc1 ZINC000013148198 569312051 /nfs/dbraw/zinc/31/20/51/569312051.db2.gz XNLVBTPZFPBGCH-UHFFFAOYSA-N 0 0 438.474 3.675 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000013148751 569312183 /nfs/dbraw/zinc/31/21/83/569312183.db2.gz CGRJWLCREZICGC-UHFFFAOYSA-N 0 0 440.327 3.868 50 0 IHAARN CC(C)CNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)CC1 ZINC000013356780 569313653 /nfs/dbraw/zinc/31/36/53/569313653.db2.gz UHJAAWZIUQVJIP-UHFFFAOYSA-N 0 0 425.504 3.702 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)n2)cc1OC ZINC000013367136 569314375 /nfs/dbraw/zinc/31/43/75/569314375.db2.gz UUXGBKVPMHDMKS-MRXNPFEDSA-N 0 0 440.475 3.744 50 0 IHAARN COc1ccc(CCN(C)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000007957955 569316360 /nfs/dbraw/zinc/31/63/60/569316360.db2.gz ZCAWKILYWNFUIJ-IBGZPJMESA-N 0 0 425.529 3.649 50 0 IHAARN CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)c1nccnc1C ZINC000328595338 569317704 /nfs/dbraw/zinc/31/77/04/569317704.db2.gz RMTWWRKZRYORBC-AWEZNQCLSA-N 0 0 436.965 3.526 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000078809085 569319181 /nfs/dbraw/zinc/31/91/81/569319181.db2.gz NLUWLBYATRUEGG-LJQANCHMSA-N 0 0 439.537 3.740 50 0 IHAARN O=C(COc1ccccc1)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000078808883 569319217 /nfs/dbraw/zinc/31/92/17/569319217.db2.gz PXSSKTDWAZUEEZ-UHFFFAOYSA-N 0 0 440.887 3.646 50 0 IHAARN O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1nnc(-c2ccco2)o1 ZINC000078879636 569319971 /nfs/dbraw/zinc/31/99/71/569319971.db2.gz ZBPAUIVVPJYVQM-UHFFFAOYSA-N 0 0 435.465 3.501 50 0 IHAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000078879449 569320005 /nfs/dbraw/zinc/32/00/05/569320005.db2.gz SESVOFIANRYCAV-UHFFFAOYSA-N 0 0 440.609 3.892 50 0 IHAARN CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000078969765 569321021 /nfs/dbraw/zinc/32/10/21/569321021.db2.gz VGPMBGLFJOPDLY-WBVHZDCISA-N 0 0 427.364 3.892 50 0 IHAARN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)n(-c2ccccc2)n1 ZINC000078994054 569321565 /nfs/dbraw/zinc/32/15/65/569321565.db2.gz CIYCTADUNGQRFV-SFHVURJKSA-N 0 0 443.507 3.952 50 0 IHAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2nncn2C2CC2)cc1 ZINC000079023684 569322599 /nfs/dbraw/zinc/32/25/99/569322599.db2.gz MWNJLELDCPZRKZ-UHFFFAOYSA-N 0 0 425.876 3.622 50 0 IHAARN COc1cc(NC2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)cc(OC)c1 ZINC000079046367 569323120 /nfs/dbraw/zinc/32/31/20/569323120.db2.gz HRGNQZOINSJAFR-CQSZACIVSA-N 0 0 441.553 3.853 50 0 IHAARN O=C(NCc1nccn1CCCc1ccccc1)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000079051743 569323382 /nfs/dbraw/zinc/32/33/82/569323382.db2.gz UTFYZKUZLQGBES-UHFFFAOYSA-N 0 0 448.495 3.834 50 0 IHAARN COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000019671323 569325668 /nfs/dbraw/zinc/32/56/68/569325668.db2.gz ZLOYMIPWIQCMSA-LJQANCHMSA-N 0 0 425.573 3.972 50 0 IHAARN CCOc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1O ZINC000020036312 569332760 /nfs/dbraw/zinc/33/27/60/569332760.db2.gz GYRVIIJFYKQYJN-OVCLIPMQSA-N 0 0 435.249 3.785 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000020116364 569335107 /nfs/dbraw/zinc/33/51/07/569335107.db2.gz GLAPNJOKCGZYIH-LJQANCHMSA-N 0 0 448.997 3.650 50 0 IHAARN CN(C)C(=O)N1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000390830052 569354170 /nfs/dbraw/zinc/35/41/70/569354170.db2.gz ILDYYCZMUIXREJ-UHFFFAOYSA-N 0 0 425.373 3.848 50 0 IHAARN COc1ccc(CCNC(=O)c2nnc(Cc3ccc(Cl)cc3Cl)o2)cc1OC ZINC000020177277 569354564 /nfs/dbraw/zinc/35/45/64/569354564.db2.gz IGCMSKWNZISMOG-UHFFFAOYSA-N 0 0 436.295 3.957 50 0 IHAARN COCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180968 569355213 /nfs/dbraw/zinc/35/52/13/569355213.db2.gz VPIUXIQEEDUGEI-LDADJPATSA-N 0 0 447.354 3.692 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C[C@H]1C ZINC000020209116 569356044 /nfs/dbraw/zinc/35/60/44/569356044.db2.gz MGTQYCYSEJETJJ-MRXNPFEDSA-N 0 0 447.988 3.539 50 0 IHAARN O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)CN21 ZINC000020219129 569356816 /nfs/dbraw/zinc/35/68/16/569356816.db2.gz GXHDKULPZQMFKQ-INIZCTEOSA-N 0 0 429.446 3.504 50 0 IHAARN COCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000020279951 569358638 /nfs/dbraw/zinc/35/86/38/569358638.db2.gz PQFOTROMOPAQOB-UHFFFAOYSA-N 0 0 441.963 3.646 50 0 IHAARN C[C@H](C(=O)NCCn1ccc2ccc(Br)cc21)N1Cc2ccccc2C1=O ZINC000080331517 569362421 /nfs/dbraw/zinc/36/24/21/569362421.db2.gz YPFXWCLSWSIGPZ-CQSZACIVSA-N 0 0 426.314 3.565 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H](C)CCc4ccccc4)nc(CC)n23)s1 ZINC000020384368 569362867 /nfs/dbraw/zinc/36/28/67/569362867.db2.gz DDZRNXOPYRAPRV-INIZCTEOSA-N 0 0 436.581 3.973 50 0 IHAARN CCc1cc2c(cc3c(=O)n(CC(=O)N[C@H](C)CCc4ccccc4)nc(CC)n23)s1 ZINC000020384372 569362878 /nfs/dbraw/zinc/36/28/78/569362878.db2.gz DDZRNXOPYRAPRV-MRXNPFEDSA-N 0 0 436.581 3.973 50 0 IHAARN O=C(OC[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020387804 569363219 /nfs/dbraw/zinc/36/32/19/569363219.db2.gz OGCSCZQMCGGDLI-SFHVURJKSA-N 0 0 428.337 3.622 50 0 IHAARN CCOc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)cc1 ZINC000020388681 569363270 /nfs/dbraw/zinc/36/32/70/569363270.db2.gz HFQHYYXMAJCRLS-UHFFFAOYSA-N 0 0 442.537 3.588 50 0 IHAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000020397455 569363442 /nfs/dbraw/zinc/36/34/42/569363442.db2.gz UZGCKGJEVQPDHZ-AWEZNQCLSA-N 0 0 435.958 3.555 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)CC1 ZINC000020414754 569364320 /nfs/dbraw/zinc/36/43/20/569364320.db2.gz HZVPNKZTUREFDL-BBTUJRGHSA-N 0 0 437.584 3.686 50 0 IHAARN Cc1c2cnn(CC(=O)NCCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000020417130 569364919 /nfs/dbraw/zinc/36/49/19/569364919.db2.gz CTPUEPKFTCFJPC-UHFFFAOYSA-N 0 0 428.536 3.530 50 0 IHAARN CC(C)(CNC(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1)N1CCOCC1 ZINC000095435195 569366415 /nfs/dbraw/zinc/36/64/15/569366415.db2.gz CRCOSWGOEICPPH-HSZRJFAPSA-N 0 0 440.584 3.552 50 0 IHAARN O=C(CN1CCN(Cc2cccnc2)CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000095446660 569367314 /nfs/dbraw/zinc/36/73/14/569367314.db2.gz HLEMICCFDSEZGF-UHFFFAOYSA-N 0 0 433.581 3.525 50 0 IHAARN COc1cc(NC(=O)CN2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc(OC)c1OC ZINC000095446869 569367367 /nfs/dbraw/zinc/36/73/67/569367367.db2.gz OPDFJNPFVBONFG-INIZCTEOSA-N 0 0 438.528 3.715 50 0 IHAARN CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000095451303 569367747 /nfs/dbraw/zinc/36/77/47/569367747.db2.gz MPEQVTBYWNTGHQ-OAQYLSRUSA-N 0 0 448.567 3.980 50 0 IHAARN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)cn1 ZINC000095452586 569368029 /nfs/dbraw/zinc/36/80/29/569368029.db2.gz BXXJVWHYEYVVLP-UHFFFAOYSA-N 0 0 446.798 3.963 50 0 IHAARN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000095453442 569368247 /nfs/dbraw/zinc/36/82/47/569368247.db2.gz PBBBGQJIRZVHJT-UHFFFAOYSA-N 0 0 438.487 3.697 50 0 IHAARN CC(C)(c1ccccc1)[C@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(F)(F)F ZINC000095458080 569369094 /nfs/dbraw/zinc/36/90/94/569369094.db2.gz IQJGZRZEMYRAMR-IBGZPJMESA-N 0 0 434.414 3.532 50 0 IHAARN COCc1nnc(-c2cccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)o1 ZINC000095463626 569370338 /nfs/dbraw/zinc/37/03/38/569370338.db2.gz LTXOOEXITRWREG-UHFFFAOYSA-N 0 0 432.436 3.658 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465238 569370662 /nfs/dbraw/zinc/37/06/62/569370662.db2.gz WNJGZCJKPUKVNI-MGPQQGTHSA-N 0 0 442.869 3.770 50 0 IHAARN COc1cc(-n2cc(C(=O)Nc3ccccc3O)c3ccccc3c2=O)cc(OC)c1OC ZINC000095476134 569372905 /nfs/dbraw/zinc/37/29/05/569372905.db2.gz VVBVVRHZMXXNNK-UHFFFAOYSA-N 0 0 446.459 3.974 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3[nH]c(CC(C)C)nc3c1)C=C2 ZINC000095478128 569373343 /nfs/dbraw/zinc/37/33/43/569373343.db2.gz BZCOIZXYJLFZNL-UHFFFAOYSA-N 0 0 448.523 3.773 50 0 IHAARN COc1ccc([C@@H]2[C@@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478411 569373529 /nfs/dbraw/zinc/37/35/29/569373529.db2.gz OYZDWPYZUCVBHO-BJKOFHAPSA-N 0 0 428.488 3.605 50 0 IHAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccncc1 ZINC000095479750 569373811 /nfs/dbraw/zinc/37/38/11/569373811.db2.gz HMJQNQZVCWHECI-UHFFFAOYSA-N 0 0 438.329 3.558 50 0 IHAARN COc1ccc(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000095480726 569373956 /nfs/dbraw/zinc/37/39/56/569373956.db2.gz BEXWLJHQHHUACB-DNQXCXABSA-N 0 0 428.488 3.605 50 0 IHAARN CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)s1 ZINC000095482162 569374243 /nfs/dbraw/zinc/37/42/43/569374243.db2.gz NPXCCSJRAWRLJW-UHFFFAOYSA-N 0 0 430.555 3.564 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2ccc(C)cc2C)S1 ZINC000020896167 569375091 /nfs/dbraw/zinc/37/50/91/569375091.db2.gz FTYLXAINBRTGQC-NRFANRHFSA-N 0 0 427.526 3.762 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2ncccc2O)cc1 ZINC000095946564 569376184 /nfs/dbraw/zinc/37/61/84/569376184.db2.gz ODVUCQVJSBNLKX-NRFANRHFSA-N 0 0 444.491 3.892 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000095946815 569376285 /nfs/dbraw/zinc/37/62/85/569376285.db2.gz PSHWJQOOJVKYEC-HSZRJFAPSA-N 0 0 439.606 3.812 50 0 IHAARN C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCCCOC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 ZINC000095963504 569377180 /nfs/dbraw/zinc/37/71/80/569377180.db2.gz KNIKKEJWUBPJRE-TXHUAPDYSA-N 0 0 428.525 3.572 50 0 IHAARN Cc1ccc(C)c(OCCC(=O)N2CCC[C@H](CNC(=O)c3ccncc3Cl)C2)c1 ZINC000095973385 569377452 /nfs/dbraw/zinc/37/74/52/569377452.db2.gz LUTKTVVYULYOIT-GOSISDBHSA-N 0 0 429.948 3.789 50 0 IHAARN Cc1cc(C)n2nc(CC(=O)Nc3ccc(OC(F)(F)F)cc3Br)nc2n1 ZINC000095975624 569377648 /nfs/dbraw/zinc/37/76/48/569377648.db2.gz MUIBOJDENGTDHS-UHFFFAOYSA-N 0 0 444.211 3.583 50 0 IHAARN COCCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000095993198 569378326 /nfs/dbraw/zinc/37/83/26/569378326.db2.gz MVOHUPVGJJZNKB-FQEVSTJZSA-N 0 0 437.515 3.806 50 0 IHAARN CN(Cc1nc(-c2ccco2)no1)[C@H]1CCCC[C@@H]1N(C)Cc1nc(-c2ccco2)no1 ZINC000095995927 569378804 /nfs/dbraw/zinc/37/88/04/569378804.db2.gz UKXAOQPVDFDUKY-HOTGVXAUSA-N 0 0 438.488 3.848 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000095997633 569379098 /nfs/dbraw/zinc/37/90/98/569379098.db2.gz SSSUOPGVSHLCBU-HUUCEWRRSA-N 0 0 432.933 3.927 50 0 IHAARN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CC=C(c3cncc4ccccc43)CC2)cc1 ZINC000096012873 569380217 /nfs/dbraw/zinc/38/02/17/569380217.db2.gz HZBBSDDGLLYUPC-GOSISDBHSA-N 0 0 429.520 3.815 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000096013915 569380375 /nfs/dbraw/zinc/38/03/75/569380375.db2.gz JCNOYVJNLKTYQD-LRDDRELGSA-N 0 0 426.007 3.876 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@H](C)C(=O)NCc2ccccn2)c1 ZINC000096096068 569381033 /nfs/dbraw/zinc/38/10/33/569381033.db2.gz MKEVXKJWAMRPLK-KMXFMMRISA-N 0 0 446.532 3.725 50 0 IHAARN COc1cccc(C(=O)/N=c2\sc3ccccc3n2[C@H](C)C(=O)NCc2ccncc2)c1 ZINC000096096064 569381034 /nfs/dbraw/zinc/38/10/34/569381034.db2.gz DJDGGLLQQSZVHG-KMXFMMRISA-N 0 0 446.532 3.725 50 0 IHAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096933 569381267 /nfs/dbraw/zinc/38/12/67/569381267.db2.gz RUKQABMNSSTUCL-UHFFFAOYSA-N 0 0 441.329 3.928 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C ZINC000096103758 569382187 /nfs/dbraw/zinc/38/21/87/569382187.db2.gz UPHFRYRIVKMAMP-INIZCTEOSA-N 0 0 434.462 3.565 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105573 569382401 /nfs/dbraw/zinc/38/24/01/569382401.db2.gz DKIHVNOQRCWBHX-UHFFFAOYSA-N 0 0 432.307 3.720 50 0 IHAARN O=C(C=Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105618 569382571 /nfs/dbraw/zinc/38/25/71/569382571.db2.gz IAJAJDXTLPSOPC-BJMVGYQFSA-N 0 0 441.890 3.606 50 0 IHAARN COCCn1ccc2c1cccc2NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000096113727 569382589 /nfs/dbraw/zinc/38/25/89/569382589.db2.gz AZSHWGABGLBMNB-UHFFFAOYSA-N 0 0 438.480 3.755 50 0 biogenic IHAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1coc2ccc(OC)cc2c1=O ZINC000096115732 569383460 /nfs/dbraw/zinc/38/34/60/569383460.db2.gz GVZCIAVPWPHTRP-MRXNPFEDSA-N 0 0 434.448 3.516 50 0 biogenic IHAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117801 569384300 /nfs/dbraw/zinc/38/43/00/569384300.db2.gz HXXFTKCCJGSVND-SCLBCKFNSA-N 0 0 431.514 3.930 50 0 IHAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2F)CCO1 ZINC000096118399 569384381 /nfs/dbraw/zinc/38/43/81/569384381.db2.gz CFSIYHGGBLPFTN-FVMDXXJSSA-N 0 0 427.448 3.911 50 0 IHAARN COc1cc(-c2noc(CCN(Cc3ccco3)C(=O)C3CCC3)n2)cc(OC)c1OC ZINC000096277923 569389004 /nfs/dbraw/zinc/38/90/04/569389004.db2.gz YFIKYRFXHHQCJN-UHFFFAOYSA-N 0 0 441.484 3.727 50 0 IHAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[nH]2)CC1 ZINC000096278264 569389067 /nfs/dbraw/zinc/38/90/67/569389067.db2.gz BBHIBEBCKKAQQY-UHFFFAOYSA-N 0 0 440.931 3.617 50 0 IHAARN O=c1c2c(ncn2Cc2cccc(Cl)c2)n(-c2ccc(F)cc2F)c(=O)n1C1CC1 ZINC000096281286 569389777 /nfs/dbraw/zinc/38/97/77/569389777.db2.gz XILXMVHKDYXOKY-UHFFFAOYSA-N 0 0 428.826 3.664 50 0 IHAARN COCCn1c(SCc2ccc(C(=O)NCc3ccco3)cc2)nnc1-c1ccncc1 ZINC000096289650 569390758 /nfs/dbraw/zinc/39/07/58/569390758.db2.gz HOVBFUKHWJOVCC-UHFFFAOYSA-N 0 0 449.536 3.802 50 0 IHAARN CCN1CCN(C(=O)CCn2c(Cc3cccnc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096292074 569391204 /nfs/dbraw/zinc/39/12/04/569391204.db2.gz HKFSUHQTKXFYBO-UHFFFAOYSA-N 0 0 446.382 3.883 50 0 IHAARN COc1ccc(CNC(=O)c2csc(NC(=O)c3cccc(Cl)c3)n2)c(OC)c1 ZINC000096294807 569391914 /nfs/dbraw/zinc/39/19/14/569391914.db2.gz XJERFZGWFBNKLC-UHFFFAOYSA-N 0 0 431.901 3.996 50 0 IHAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096316757 569392867 /nfs/dbraw/zinc/39/28/67/569392867.db2.gz NQVSNMMHSZJXNB-UHFFFAOYSA-N 0 0 443.567 3.716 50 0 IHAARN COCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096317229 569393135 /nfs/dbraw/zinc/39/31/35/569393135.db2.gz XAMIFPITBZVZBT-UHFFFAOYSA-N 0 0 439.604 3.886 50 0 IHAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccccc1F ZINC000096317216 569393157 /nfs/dbraw/zinc/39/31/57/569393157.db2.gz ZBZCMEULTKNNHR-KRWDZBQOSA-N 0 0 428.552 3.577 50 0 IHAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000096317304 569393414 /nfs/dbraw/zinc/39/34/14/569393414.db2.gz FTXUKFQTFKTQSI-GOSISDBHSA-N 0 0 430.618 3.669 50 0 IHAARN CCc1nc(CN(Cc2ccco2)C(=O)C2CCC2)[nH]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317685 569393683 /nfs/dbraw/zinc/39/36/83/569393683.db2.gz NWMLVCZMGJVQAN-UHFFFAOYSA-N 0 0 435.524 3.854 50 0 IHAARN CCc1ccc(-c2noc(Cn3ccn4nc(-c5cccc(OC)c5)cc4c3=O)n2)cc1 ZINC000096322260 569394501 /nfs/dbraw/zinc/39/45/01/569394501.db2.gz BFMYRMWGBOYWHM-UHFFFAOYSA-N 0 0 427.464 3.832 50 0 IHAARN COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 ZINC000096335789 569396631 /nfs/dbraw/zinc/39/66/31/569396631.db2.gz BJGGZUGHBCPIOT-IRLDBZIGSA-N 0 0 440.423 3.741 50 0 IHAARN CCOC(=O)C[C@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1O ZINC000096335753 569396666 /nfs/dbraw/zinc/39/66/66/569396666.db2.gz RXNSPIVYCQRWPX-LJQANCHMSA-N 0 0 442.439 3.641 50 0 IHAARN O=C(NCCc1csc([C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1)C1CC1 ZINC000096373198 569398069 /nfs/dbraw/zinc/39/80/69/569398069.db2.gz TYPVDBZQJPZNFM-GOSISDBHSA-N 0 0 434.565 3.780 50 0 IHAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccc(F)cc1Cl ZINC000096386076 569398285 /nfs/dbraw/zinc/39/82/85/569398285.db2.gz FYMNAEPGEKGYKG-UHFFFAOYSA-N 0 0 442.853 3.608 50 0 IHAARN COc1cccc(N2CCN(c3nc(C(=O)NCc4ccc(F)cc4F)cs3)CC2)c1 ZINC000096386314 569398432 /nfs/dbraw/zinc/39/84/32/569398432.db2.gz LICXOCLJRVSYJF-UHFFFAOYSA-N 0 0 444.507 3.687 50 0 IHAARN COc1cccc(CNC(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000096386458 569398648 /nfs/dbraw/zinc/39/86/48/569398648.db2.gz PQVQTJHRDSRNCA-UHFFFAOYSA-N 0 0 426.517 3.547 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)cc1 ZINC000096386836 569398771 /nfs/dbraw/zinc/39/87/71/569398771.db2.gz YMRDZUKINYCHEW-UHFFFAOYSA-N 0 0 438.553 3.912 50 0 IHAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096401056 569400364 /nfs/dbraw/zinc/40/03/64/569400364.db2.gz RMDDIROOCFPPFK-ATVHPVEESA-N 0 0 441.597 3.675 50 0 IHAARN COc1cc(/C=C\C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc2c1OCCO2 ZINC000096402553 569400478 /nfs/dbraw/zinc/40/04/78/569400478.db2.gz VGVPYXUSCMKPQM-YVMONPNESA-N 0 0 440.521 3.561 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1ccc([C@H]2CN(Cc3ccccc3)C(=O)c3ccccc32)o1 ZINC000334162877 569402270 /nfs/dbraw/zinc/40/22/70/569402270.db2.gz FVGHCODMDSNXSI-KNQAVFIVSA-N 0 0 430.504 3.976 50 0 IHAARN CCCn1c2ccccc2n2nc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc2c1=O ZINC000097161398 569403296 /nfs/dbraw/zinc/40/32/96/569403296.db2.gz JYJQGZYVMDRQHK-UHFFFAOYSA-N 0 0 443.507 3.522 50 0 IHAARN CSc1ncccc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225562741 569404537 /nfs/dbraw/zinc/40/45/37/569404537.db2.gz SNYUKKKSITTXMS-UHFFFAOYSA-N 0 0 439.516 3.938 50 0 IHAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1nnn(Cc2ccccc2F)c1-c1ccncc1 ZINC000225584807 569404961 /nfs/dbraw/zinc/40/49/61/569404961.db2.gz AYFAPTWMTSOEAD-UHFFFAOYSA-N 0 0 439.454 3.966 50 0 IHAARN COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000225598667 569405324 /nfs/dbraw/zinc/40/53/24/569405324.db2.gz DFTXBTDZQMBPMM-RBUKOAKNSA-N 0 0 434.414 3.693 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCSc4ccccc43)C2)s1 ZINC000028022335 569406344 /nfs/dbraw/zinc/40/63/44/569406344.db2.gz XIBHPQMHEVZNGS-INIZCTEOSA-N 0 0 436.624 3.986 50 0 IHAARN O=C(N1CCc2nc3ccc(F)cn3c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225782354 569408527 /nfs/dbraw/zinc/40/85/27/569408527.db2.gz UQTKKCKSJNBYOP-UHFFFAOYSA-N 0 0 425.891 3.884 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N(CC(C)C)CC(C)C)C3=O)ccc2c1 ZINC000002619031 569410625 /nfs/dbraw/zinc/41/06/25/569410625.db2.gz GUEBFPXJKVVUTA-VWLOTQADSA-N 0 0 439.556 3.756 50 0 IHAARN COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 ZINC000002630087 569412177 /nfs/dbraw/zinc/41/21/77/569412177.db2.gz YWUXQJODQIKHNQ-UHFFFAOYSA-N 0 0 449.459 3.841 50 0 IHAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)NCc1cccs1 ZINC000002640015 569413576 /nfs/dbraw/zinc/41/35/76/569413576.db2.gz OSYHRERFTOLETO-UHFFFAOYSA-N 0 0 425.514 3.938 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cc(Cl)ccc4Cl)C3=O)CC2)cc1 ZINC000215725816 569414203 /nfs/dbraw/zinc/41/42/03/569414203.db2.gz SJIQNFYXPIXLGL-HXUWFJFHSA-N 0 0 446.334 3.650 50 0 IHAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)Nc1cc(F)ccc1F ZINC000002646432 569414221 /nfs/dbraw/zinc/41/42/21/569414221.db2.gz QNFCSOBXSNVKTD-UHFFFAOYSA-N 0 0 434.439 3.934 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000002650539 569414763 /nfs/dbraw/zinc/41/47/63/569414763.db2.gz UWJNIDLFZVOVIT-UHFFFAOYSA-N 0 0 437.855 3.758 50 0 IHAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002650914 569414909 /nfs/dbraw/zinc/41/49/09/569414909.db2.gz OGGXYBHVWKMGCI-UHFFFAOYSA-N 0 0 427.448 3.816 50 0 IHAARN Cc1ccc(NC(=O)CSCc2cc(=O)n3cc(Br)ccc3n2)cc1C ZINC000002651795 569414933 /nfs/dbraw/zinc/41/49/33/569414933.db2.gz JTKJMAGABDBGNV-UHFFFAOYSA-N 0 0 432.343 3.946 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000002653044 569415111 /nfs/dbraw/zinc/41/51/11/569415111.db2.gz GJOJUXKJWIQRKB-UHFFFAOYSA-N 0 0 444.538 3.502 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1F ZINC000002655030 569415429 /nfs/dbraw/zinc/41/54/29/569415429.db2.gz YFQOCFULVOFNNL-UHFFFAOYSA-N 0 0 425.461 3.844 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CSc3nc4ccc(N)cc4s3)CC2)cc1 ZINC000215754112 569415922 /nfs/dbraw/zinc/41/59/22/569415922.db2.gz SMKVEWHVRWXWBM-UHFFFAOYSA-N 0 0 426.567 3.522 50 0 IHAARN CCn1nc(C)c(CN(C)C(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)c1C ZINC000002774955 569420929 /nfs/dbraw/zinc/42/09/29/569420929.db2.gz HMNOENAETNODDS-LBPRGKRZSA-N 0 0 432.313 3.944 50 0 IHAARN COc1cccc(C2=NC(=CNc3ccc(I)cc3C)C(=O)O2)c1 ZINC000002946722 569427049 /nfs/dbraw/zinc/42/70/49/569427049.db2.gz UMMHBYLRYFCILH-YBEGLDIGSA-N 0 0 434.233 3.865 50 0 IHAARN Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Br)cc1 ZINC000029166893 569427983 /nfs/dbraw/zinc/42/79/83/569427983.db2.gz YSBFSDAKWYFACD-UHFFFAOYSA-N 0 0 449.330 3.567 50 0 IHAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000057331670 569431166 /nfs/dbraw/zinc/43/11/66/569431166.db2.gz CJOMYKFFLBPJAO-UHFFFAOYSA-N 0 0 432.549 3.933 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057350913 569431277 /nfs/dbraw/zinc/43/12/77/569431277.db2.gz OUNIALOLANTTIS-UHFFFAOYSA-N 0 0 448.523 3.815 50 0 IHAARN CCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000029710277 569431858 /nfs/dbraw/zinc/43/18/58/569431858.db2.gz FPRKKEHNYRLYSH-UHFFFAOYSA-N 0 0 431.330 3.621 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000029753374 569431915 /nfs/dbraw/zinc/43/19/15/569431915.db2.gz IEULPVJSVWADBU-NRFANRHFSA-N 0 0 447.413 3.913 50 0 IHAARN CCCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3sc2c1=O ZINC000002962064 569432752 /nfs/dbraw/zinc/43/27/52/569432752.db2.gz DXOSSJNWUIHCOR-AWEZNQCLSA-N 0 0 431.583 3.799 50 0 IHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000029803654 569433715 /nfs/dbraw/zinc/43/37/15/569433715.db2.gz NGBVZZGNEFGNJN-KRWDZBQOSA-N 0 0 442.730 3.714 50 0 IHAARN COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415049 569434042 /nfs/dbraw/zinc/43/40/42/569434042.db2.gz GGSOQYKQDTUREA-JOCHJYFZSA-N 0 0 437.927 3.910 50 0 IHAARN CCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2ccsc2c1=O ZINC000057425128 569434346 /nfs/dbraw/zinc/43/43/46/569434346.db2.gz AOAOFPITVQRXPJ-UHFFFAOYSA-N 0 0 431.539 3.776 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCC(C)CC2)c1 ZINC000057426148 569434499 /nfs/dbraw/zinc/43/44/99/569434499.db2.gz ZYRCGVAUUASBSB-UHFFFAOYSA-N 0 0 443.594 3.866 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCCCC2)c1 ZINC000057426182 569434509 /nfs/dbraw/zinc/43/45/09/569434509.db2.gz AHUXNCBCRRQLQR-UHFFFAOYSA-N 0 0 429.567 3.620 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)no1 ZINC000057426092 569434522 /nfs/dbraw/zinc/43/45/22/569434522.db2.gz XVNHEFIYWIVOMY-UHFFFAOYSA-N 0 0 430.486 3.673 50 0 IHAARN COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c1OC ZINC000057426268 569434558 /nfs/dbraw/zinc/43/45/58/569434558.db2.gz IVIAXKOFOHHXQR-UHFFFAOYSA-N 0 0 447.582 3.540 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(C)c(C)c3)c2=O)cc1 ZINC000057426978 569434722 /nfs/dbraw/zinc/43/47/22/569434722.db2.gz YPUDVOLTLKOCLQ-UHFFFAOYSA-N 0 0 447.560 3.515 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1Cl ZINC000057427381 569434797 /nfs/dbraw/zinc/43/47/97/569434797.db2.gz IKKMGJCKGQTGNY-UHFFFAOYSA-N 0 0 448.704 3.974 50 0 IHAARN Cc1cccc(Cl)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O ZINC000057428921 569434975 /nfs/dbraw/zinc/43/49/75/569434975.db2.gz RDFKQFWCLRGROJ-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)c1 ZINC000057429056 569435044 /nfs/dbraw/zinc/43/50/44/569435044.db2.gz CAVJBJOMBJMGSY-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2)c1ccccc1 ZINC000003008024 569435281 /nfs/dbraw/zinc/43/52/81/569435281.db2.gz HIMHXBGSWPADKD-DEOSSOPVSA-N 0 0 438.597 3.799 50 0 IHAARN COc1cccc(CNC(=O)Cc2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)c1 ZINC000003010407 569435299 /nfs/dbraw/zinc/43/52/99/569435299.db2.gz ALFLBPLYQCNTGM-UHFFFAOYSA-N 0 0 431.517 3.916 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000057473037 569435705 /nfs/dbraw/zinc/43/57/05/569435705.db2.gz IUDRORZTKRYJJI-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)c1 ZINC000057473281 569435721 /nfs/dbraw/zinc/43/57/21/569435721.db2.gz MBRIDACIIVMJFW-UHFFFAOYSA-N 0 0 433.533 3.723 50 0 IHAARN O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000057473351 569435731 /nfs/dbraw/zinc/43/57/31/569435731.db2.gz MWKSIBSXPBFCSD-UHFFFAOYSA-N 0 0 445.544 3.595 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3cccs3)c2=O)c1C ZINC000057473318 569435752 /nfs/dbraw/zinc/43/57/52/569435752.db2.gz YNPYJEZDXACUTG-UHFFFAOYSA-N 0 0 433.533 3.723 50 0 IHAARN CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O ZINC000057478763 569435873 /nfs/dbraw/zinc/43/58/73/569435873.db2.gz TZRQKSJFFRXQIZ-UHFFFAOYSA-N 0 0 431.823 3.556 50 0 IHAARN COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000003024183 569436173 /nfs/dbraw/zinc/43/61/73/569436173.db2.gz XVMSMNBMXAZCMB-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F ZINC000003024566 569436192 /nfs/dbraw/zinc/43/61/92/569436192.db2.gz LMPYMSATIIMFDD-UHFFFAOYSA-N 0 0 440.496 3.834 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)c1 ZINC000003024889 569436206 /nfs/dbraw/zinc/43/62/06/569436206.db2.gz JCRDJQVEHKFSNX-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1ccc(Cl)cc1 ZINC000057485991 569436411 /nfs/dbraw/zinc/43/64/11/569436411.db2.gz XKARKUUHVSLALU-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O ZINC000057490502 569437182 /nfs/dbraw/zinc/43/71/82/569437182.db2.gz SKKHNMQHIHHJOH-UHFFFAOYSA-N 0 0 437.496 3.863 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000057491467 569437376 /nfs/dbraw/zinc/43/73/76/569437376.db2.gz BBNHWRSOLRDTTJ-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000057491951 569437394 /nfs/dbraw/zinc/43/73/94/569437394.db2.gz CUZKKEIRRFVYCK-UHFFFAOYSA-N 0 0 439.924 3.839 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000057493141 569437568 /nfs/dbraw/zinc/43/75/68/569437568.db2.gz HLJYQBQRRZRZRC-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000003030442 569437586 /nfs/dbraw/zinc/43/75/86/569437586.db2.gz AFCNVUJSGLQLKK-UHFFFAOYSA-N 0 0 435.343 3.717 50 0 IHAARN Cc1nc2nc(SCC(=O)NCCc3ccccc3)nn2c(C)c1Cc1ccccc1F ZINC000003037296 569437992 /nfs/dbraw/zinc/43/79/92/569437992.db2.gz RGRPPLNAODHYIU-UHFFFAOYSA-N 0 0 449.555 3.922 50 0 IHAARN Cc1cccc(Cl)c1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc21 ZINC000057507119 569438318 /nfs/dbraw/zinc/43/83/18/569438318.db2.gz MXUFXMNRYDEESL-UHFFFAOYSA-N 0 0 435.962 3.616 50 0 IHAARN CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O ZINC000057526002 569439106 /nfs/dbraw/zinc/43/91/06/569439106.db2.gz MYXSJADDTIGHLP-UHFFFAOYSA-N 0 0 444.329 3.611 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000230138008 569439212 /nfs/dbraw/zinc/43/92/12/569439212.db2.gz RNPYIIHNVGVQTG-ZCYQVOJMSA-N 0 0 447.604 3.983 50 0 IHAARN CCOc1ccc(-c2nc(CSCC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1 ZINC000003063494 569439666 /nfs/dbraw/zinc/43/96/66/569439666.db2.gz PMSHBFYZYFKJHE-UHFFFAOYSA-N 0 0 432.542 3.647 50 0 IHAARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(=O)oc3)cc2)cc1)c1ccc(=O)oc1 ZINC000003185461 569441379 /nfs/dbraw/zinc/44/13/79/569441379.db2.gz CQQPXBAIUOCRIJ-UHFFFAOYSA-N 0 0 428.400 3.765 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C ZINC000003190314 569441442 /nfs/dbraw/zinc/44/14/42/569441442.db2.gz OEYHHWCQMQUJJZ-IIBYNOLFSA-N 0 0 425.529 3.617 50 0 IHAARN CCN(c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)cc1)C(C)C ZINC000003219432 569441896 /nfs/dbraw/zinc/44/18/96/569441896.db2.gz PGTPKAALRZSOBC-UHFFFAOYSA-N 0 0 430.501 3.743 50 0 IHAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000003252429 569442979 /nfs/dbraw/zinc/44/29/79/569442979.db2.gz WCWROAOKKNRUBS-MRXNPFEDSA-N 0 0 438.569 3.941 50 0 IHAARN CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000003255960 569443053 /nfs/dbraw/zinc/44/30/53/569443053.db2.gz VPQMSOZVJTWGOC-NRFANRHFSA-N 0 0 433.508 3.645 50 0 IHAARN O=C(COC(=O)c1ccccc1I)Nc1ccc(OC(F)F)cc1 ZINC000003271925 569443593 /nfs/dbraw/zinc/44/35/93/569443593.db2.gz NYJUHYMXIZCWBJ-UHFFFAOYSA-N 0 0 447.175 3.688 50 0 IHAARN CCOc1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003304102 569445193 /nfs/dbraw/zinc/44/51/93/569445193.db2.gz UOCKSONGJQUZPJ-UHFFFAOYSA-N 0 0 429.476 3.519 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003319132 569445881 /nfs/dbraw/zinc/44/58/81/569445881.db2.gz VDQXQPFONPAYRD-SFHVURJKSA-N 0 0 444.487 3.730 50 0 IHAARN Cc1ncc(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)s1 ZINC000058050502 569445958 /nfs/dbraw/zinc/44/59/58/569445958.db2.gz LMRZBZRDIQYAMI-UHFFFAOYSA-N 0 0 447.520 3.754 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O ZINC000003331143 569446476 /nfs/dbraw/zinc/44/64/76/569446476.db2.gz HXTUXKUPEOUBPQ-OAQYLSRUSA-N 0 0 434.323 3.509 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Br)s1 ZINC000003336671 569446669 /nfs/dbraw/zinc/44/66/69/569446669.db2.gz CHAMYLAHISOYAB-NSHDSACASA-N 0 0 447.148 3.787 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003336707 569446674 /nfs/dbraw/zinc/44/66/74/569446674.db2.gz FCGRUFNRMOPVLL-UHFFFAOYSA-N 0 0 445.475 3.913 50 0 IHAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccco1)Cc1cccs1 ZINC000003340551 569446847 /nfs/dbraw/zinc/44/68/47/569446847.db2.gz MYINAYYFFPLOJQ-UHFFFAOYSA-N 0 0 430.551 3.968 50 0 IHAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(OC(F)(F)F)cc1 ZINC000003351902 569447435 /nfs/dbraw/zinc/44/74/35/569447435.db2.gz LLOISAGYWKVCKP-UHFFFAOYSA-N 0 0 443.175 3.713 50 0 IHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Br)cc1OCC ZINC000003358358 569447765 /nfs/dbraw/zinc/44/77/65/569447765.db2.gz WBVMTNLORMWCSC-UHFFFAOYSA-N 0 0 435.318 3.957 50 0 IHAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC000504693386 569448878 /nfs/dbraw/zinc/44/88/78/569448878.db2.gz WPZSRZATXSVFMF-VGOFRKELSA-N 0 0 434.540 3.541 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)cc1Br ZINC000058154190 569448937 /nfs/dbraw/zinc/44/89/37/569448937.db2.gz JMUWDAOCJYAIEY-UHFFFAOYSA-N 0 0 429.311 3.917 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)n1 ZINC000003388785 569449099 /nfs/dbraw/zinc/44/90/99/569449099.db2.gz RBPZTICQRQJPST-UHFFFAOYSA-N 0 0 426.523 3.755 50 0 IHAARN O=C(NCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000058161878 569449293 /nfs/dbraw/zinc/44/92/93/569449293.db2.gz DLDXGIYTAXXFLR-UHFFFAOYSA-N 0 0 434.336 3.980 50 0 IHAARN CCOc1c(Br)cc(C(=O)Nc2ccn(Cc3cccnc3)n2)cc1OC ZINC000058168363 569449471 /nfs/dbraw/zinc/44/94/71/569449471.db2.gz OFBYGNKGOXXZSU-UHFFFAOYSA-N 0 0 431.290 3.749 50 0 IHAARN Cc1ccc(CN(C)C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000003398824 569449525 /nfs/dbraw/zinc/44/95/25/569449525.db2.gz XNIUDSPYVZCAAW-UHFFFAOYSA-N 0 0 442.537 3.759 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000003418961 569450312 /nfs/dbraw/zinc/45/03/12/569450312.db2.gz NTACZQJUYVGNTF-NRFANRHFSA-N 0 0 438.480 3.585 50 0 IHAARN COCCNc1nnc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000003421701 569450456 /nfs/dbraw/zinc/45/04/56/569450456.db2.gz PNPUOQIAPZWVKV-UHFFFAOYSA-N 0 0 428.539 3.558 50 0 IHAARN O=C(COC(=O)c1sc2ccccc2c1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003448042 569451463 /nfs/dbraw/zinc/45/14/63/569451463.db2.gz RCLDVGNLGGXFNP-UHFFFAOYSA-N 0 0 446.868 3.831 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C(C)C)c1 ZINC000003450422 569451627 /nfs/dbraw/zinc/45/16/27/569451627.db2.gz FNJQNZAWNXULIQ-IBGZPJMESA-N 0 0 438.446 3.793 50 0 IHAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000003459154 569451844 /nfs/dbraw/zinc/45/18/44/569451844.db2.gz WXWNTBAZKUPMLM-UHFFFAOYSA-N 0 0 428.441 3.536 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000003464560 569451966 /nfs/dbraw/zinc/45/19/66/569451966.db2.gz VRRLNFOWZVXWQQ-UHFFFAOYSA-N 0 0 449.463 3.984 50 0 IHAARN COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000003477671 569452251 /nfs/dbraw/zinc/45/22/51/569452251.db2.gz VWSOZJTZFGKZEM-UHFFFAOYSA-N 0 0 428.945 3.926 50 0 IHAARN CN(Cc1ccccc1)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000003489315 569452474 /nfs/dbraw/zinc/45/24/74/569452474.db2.gz JXVGHUGVISYUBH-UHFFFAOYSA-N 0 0 426.476 3.750 50 0 IHAARN CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000058310982 569452967 /nfs/dbraw/zinc/45/29/67/569452967.db2.gz JGIGTQUAUPRCAA-AWEZNQCLSA-N 0 0 436.537 3.896 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000003542825 569453591 /nfs/dbraw/zinc/45/35/91/569453591.db2.gz AREYGWUVLMEUJV-KRWDZBQOSA-N 0 0 441.557 3.633 50 0 IHAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCn1nnc2ccccc2c1=O ZINC000003544364 569453656 /nfs/dbraw/zinc/45/36/56/569453656.db2.gz ZUSQGKAIZQRUFS-UHFFFAOYSA-N 0 0 427.917 3.561 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2C1=O ZINC000003563834 569454054 /nfs/dbraw/zinc/45/40/54/569454054.db2.gz NHAXAAPPVRSUOW-UHFFFAOYSA-N 0 0 433.508 3.961 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@H]2COc3ccccc3O2)cs1 ZINC000031184141 569454579 /nfs/dbraw/zinc/45/45/79/569454579.db2.gz CBHPERGYFDYONB-IBGZPJMESA-N 0 0 435.549 3.779 50 0 IHAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000003595003 569454661 /nfs/dbraw/zinc/45/46/61/569454661.db2.gz YOVAKIDFEUXRFV-PGRDOPGGSA-N 0 0 446.334 3.954 50 0 IHAARN O=C(CSc1ncnc2sccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003604412 569454852 /nfs/dbraw/zinc/45/48/52/569454852.db2.gz NEKDWVOOXRAOBP-UHFFFAOYSA-N 0 0 448.595 3.597 50 0 IHAARN Cc1c(C(=O)NCCc2ccc3c(c2)OCCO3)cnn1-c1ccc(Br)cc1 ZINC000031354796 569456124 /nfs/dbraw/zinc/45/61/24/569456124.db2.gz JSFXDKMIQQNJNO-UHFFFAOYSA-N 0 0 442.313 3.687 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000031354850 569456131 /nfs/dbraw/zinc/45/61/31/569456131.db2.gz KHLLEQAHPJQWAT-UHFFFAOYSA-N 0 0 438.553 3.613 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSCc2nc(-c3ccccc3C)no2)n1 ZINC000031423321 569456409 /nfs/dbraw/zinc/45/64/09/569456409.db2.gz OVXRIWASXFMVAP-UHFFFAOYSA-N 0 0 435.513 3.998 50 0 IHAARN COc1ccccc1NC(=O)C1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 ZINC000031430120 569456426 /nfs/dbraw/zinc/45/64/26/569456426.db2.gz IZMDURMYQOYBAD-UHFFFAOYSA-N 0 0 425.510 3.832 50 0 IHAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000031564266 569456819 /nfs/dbraw/zinc/45/68/19/569456819.db2.gz NXOBRXHTHGDHDH-UHFFFAOYSA-N 0 0 442.566 3.962 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1OC ZINC000031722372 569457152 /nfs/dbraw/zinc/45/71/52/569457152.db2.gz FUQBQGWIKIIZHJ-UHFFFAOYSA-N 0 0 427.404 3.709 50 0 IHAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc(F)c(F)c1 ZINC000031746866 569457204 /nfs/dbraw/zinc/45/72/04/569457204.db2.gz YJHOCTDVEXFOIC-CYBMUJFWSA-N 0 0 426.510 3.898 50 0 IHAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000031778490 569457335 /nfs/dbraw/zinc/45/73/35/569457335.db2.gz FPFMHFADPUCYMP-GOSISDBHSA-N 0 0 425.287 3.805 50 0 IHAARN COc1c(C)cnc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC2)c1C ZINC000031811096 569457686 /nfs/dbraw/zinc/45/76/86/569457686.db2.gz XIXNXDBRSAKQSA-NRFANRHFSA-N 0 0 442.947 3.785 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccccc1OCC(C)C)SCC(=O)N2 ZINC000031810147 569457707 /nfs/dbraw/zinc/45/77/07/569457707.db2.gz FFZUDANAEBBKAN-IBGZPJMESA-N 0 0 449.540 3.657 50 0 IHAARN C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000004081976 569458622 /nfs/dbraw/zinc/45/86/22/569458622.db2.gz VQJMILKSUUHGTB-TZPNTHKFSA-N 0 0 425.525 3.593 50 0 biogenic IHAARN COCCNC(=O)c1nn(-c2ccc(F)c(Cl)c2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032070769 569459209 /nfs/dbraw/zinc/45/92/09/569459209.db2.gz QIHILHLGQOGGBW-UHFFFAOYSA-N 0 0 445.878 3.629 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc(OC)c1 ZINC000032101841 569460136 /nfs/dbraw/zinc/46/01/36/569460136.db2.gz MHTUXYWPCWDERH-SFHVURJKSA-N 0 0 426.860 3.743 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@]43c4ccccc4N(C)C3=O)sc2c1 ZINC000032102886 569460180 /nfs/dbraw/zinc/46/01/80/569460180.db2.gz AAVXKQUVWCAZIV-JOCHJYFZSA-N 0 0 431.477 3.745 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000059315013 569460851 /nfs/dbraw/zinc/46/08/51/569460851.db2.gz BWHUZRQILJVTSX-CQSZACIVSA-N 0 0 430.501 3.559 50 0 IHAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCC(c2ccccc2)CC1 ZINC000032367810 569461406 /nfs/dbraw/zinc/46/14/06/569461406.db2.gz DZJDCDYOBYEWQW-UHFFFAOYSA-N 0 0 429.314 3.581 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)cc1C ZINC000038488258 569463004 /nfs/dbraw/zinc/46/30/04/569463004.db2.gz HPWVRSFTRPRQQP-UHFFFAOYSA-N 0 0 436.497 3.524 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1OC ZINC000038488531 569463052 /nfs/dbraw/zinc/46/30/52/569463052.db2.gz JLFGEYWSBBJXJW-UHFFFAOYSA-N 0 0 443.569 3.771 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)NCCC2=CCCCC2)o1 ZINC000038489246 569463060 /nfs/dbraw/zinc/46/30/60/569463060.db2.gz KVQXSRNABSRTAL-UHFFFAOYSA-N 0 0 432.542 3.729 50 0 IHAARN O=C(NCc1cccs1)c1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000038489257 569463098 /nfs/dbraw/zinc/46/30/98/569463098.db2.gz WEDUSRDOSYLWGU-UHFFFAOYSA-N 0 0 446.550 3.635 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1(c2cccs2)CCCC1 ZINC000038499773 569463124 /nfs/dbraw/zinc/46/31/24/569463124.db2.gz GQTZGWOAUXRZIB-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN COc1ccc(CNC(=O)N2CCN(c3nc4c(s3)c(C)ccc4C)CC2)cc1OC ZINC000038550962 569464021 /nfs/dbraw/zinc/46/40/21/569464021.db2.gz PEYNMZMFFRUBBZ-UHFFFAOYSA-N 0 0 440.569 3.962 50 0 IHAARN COc1cccc(CCC(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000067205921 569464665 /nfs/dbraw/zinc/46/46/65/569464665.db2.gz WSUXAUGJEKJRDJ-UHFFFAOYSA-N 0 0 435.480 3.813 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208455 569464702 /nfs/dbraw/zinc/46/47/02/569464702.db2.gz QRUIYJDIBKUCJN-UHFFFAOYSA-N 0 0 439.475 3.749 50 0 IHAARN CCOc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc54)cc3c2=O)cc1 ZINC000067208332 569464704 /nfs/dbraw/zinc/46/47/04/569464704.db2.gz UUWOYPZHZWKOOK-UHFFFAOYSA-N 0 0 439.475 3.749 50 0 IHAARN CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 ZINC000008450499 569464838 /nfs/dbraw/zinc/46/48/38/569464838.db2.gz DECGJTHORLUMFN-UHFFFAOYSA-N 0 0 441.553 3.551 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1C ZINC000067218552 569465037 /nfs/dbraw/zinc/46/50/37/569465037.db2.gz SOEADVIUYXGLGV-LJQANCHMSA-N 0 0 445.544 3.634 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 ZINC000067235892 569465368 /nfs/dbraw/zinc/46/53/68/569465368.db2.gz IFGKGTOOZBOJHV-UHFFFAOYSA-N 0 0 428.514 3.521 50 0 IHAARN Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236587 569465444 /nfs/dbraw/zinc/46/54/44/569465444.db2.gz BWLLHVCKEOTZAG-SFHVURJKSA-N 0 0 434.521 3.570 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067237915 569465550 /nfs/dbraw/zinc/46/55/50/569465550.db2.gz UOUZFDDYGONVBK-UHFFFAOYSA-N 0 0 427.574 3.876 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000067239175 569465629 /nfs/dbraw/zinc/46/56/29/569465629.db2.gz LGAFTNQROQLFHN-CYBMUJFWSA-N 0 0 427.530 3.693 50 0 IHAARN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000067261116 569466479 /nfs/dbraw/zinc/46/64/79/569466479.db2.gz FQKWEHYYKWYZSW-UHFFFAOYSA-N 0 0 442.853 3.801 50 0 IHAARN CCc1ccc(CNC(=O)CCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000067261635 569466527 /nfs/dbraw/zinc/46/65/27/569466527.db2.gz INEUWMAAWSLZJA-UHFFFAOYSA-N 0 0 440.341 3.942 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(Cl)cc2)c1 ZINC000067300584 569468232 /nfs/dbraw/zinc/46/82/32/569468232.db2.gz YJVVKZGGJCVSSX-UHFFFAOYSA-N 0 0 425.916 3.662 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000038725764 569468287 /nfs/dbraw/zinc/46/82/87/569468287.db2.gz OZOJOQYQQPPVJS-ZWKOTPCHSA-N 0 0 433.335 3.847 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000067301573 569468315 /nfs/dbraw/zinc/46/83/15/569468315.db2.gz KDBGBLSHFJQVKO-UHFFFAOYSA-N 0 0 425.916 3.608 50 0 IHAARN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000067316602 569468409 /nfs/dbraw/zinc/46/84/09/569468409.db2.gz YGUTXWRBFWNNLV-INIZCTEOSA-N 0 0 439.943 3.593 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 ZINC000067317063 569468454 /nfs/dbraw/zinc/46/84/54/569468454.db2.gz BSMBGPIBQFDOJL-UHFFFAOYSA-N 0 0 425.558 3.825 50 0 IHAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(Cl)ccc1Cl ZINC000067317128 569468468 /nfs/dbraw/zinc/46/84/68/569468468.db2.gz LWZUVHNGDQTEIB-UHFFFAOYSA-N 0 0 438.340 3.789 50 0 IHAARN Cc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1C ZINC000067317965 569468492 /nfs/dbraw/zinc/46/84/92/569468492.db2.gz WCRJOMNOEOTXDB-UHFFFAOYSA-N 0 0 428.492 3.862 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)N1CCCc2ccccc21 ZINC000067318767 569468532 /nfs/dbraw/zinc/46/85/32/569468532.db2.gz RICBHLACGJSRHX-UHFFFAOYSA-N 0 0 429.520 3.607 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c(OC)c1 ZINC000067319878 569468557 /nfs/dbraw/zinc/46/85/57/569468557.db2.gz RIQLOBPGSRNNHY-UHFFFAOYSA-N 0 0 444.557 3.540 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C ZINC000067322175 569468674 /nfs/dbraw/zinc/46/86/74/569468674.db2.gz NSJNXJANNQVQNC-UHFFFAOYSA-N 0 0 427.892 3.756 50 0 IHAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322821 569468720 /nfs/dbraw/zinc/46/87/20/569468720.db2.gz PWYJQWHBHHGTGA-UHFFFAOYSA-N 0 0 448.266 3.513 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000067323067 569468741 /nfs/dbraw/zinc/46/87/41/569468741.db2.gz DGSHRJCFVSVAGX-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323432 569468768 /nfs/dbraw/zinc/46/87/68/569468768.db2.gz HFOIOPFKAKTYCA-UHFFFAOYSA-N 0 0 439.344 3.775 50 0 IHAARN O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000067336822 569468949 /nfs/dbraw/zinc/46/89/49/569468949.db2.gz ZSMGZJSEEJZGEW-UHFFFAOYSA-N 0 0 437.258 3.688 50 0 IHAARN CCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(C)cc4C)CC3)nc2N)cc1 ZINC000067336510 569468967 /nfs/dbraw/zinc/46/89/67/569468967.db2.gz AAUXUUQOYKDKDE-UHFFFAOYSA-N 0 0 446.555 3.653 50 0 IHAARN C[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008640271 569469558 /nfs/dbraw/zinc/46/95/58/569469558.db2.gz GJCYYGWCWRPPQV-SNVBAGLBSA-N 0 0 429.523 3.711 50 0 IHAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000008660800 569469759 /nfs/dbraw/zinc/46/97/59/569469759.db2.gz BBIOSUSCSMBXBJ-FQEVSTJZSA-N 0 0 426.494 3.680 50 0 IHAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008719106 569471353 /nfs/dbraw/zinc/47/13/53/569471353.db2.gz YFOLKIGUROWNRM-SSOJOUAXSA-N 0 0 437.540 3.669 50 0 IHAARN Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n(C2CCCC2)c1C ZINC000008720192 569471512 /nfs/dbraw/zinc/47/15/12/569471512.db2.gz KHKGZVHVNRWIMP-UHFFFAOYSA-N 0 0 436.603 3.596 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000008721283 569471678 /nfs/dbraw/zinc/47/16/78/569471678.db2.gz ZQUXUMJGEPOPIC-UHFFFAOYSA-N 0 0 432.553 3.787 50 0 IHAARN Cc1cc(C)n(C[C@H](O)CN(c2cccc3ccccc32)S(=O)(=O)c2ccccc2)n1 ZINC000008721956 569471737 /nfs/dbraw/zinc/47/17/37/569471737.db2.gz TXALKHFOCDFKLB-NRFANRHFSA-N 0 0 435.549 3.910 50 0 IHAARN CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)o1 ZINC000008725010 569472082 /nfs/dbraw/zinc/47/20/82/569472082.db2.gz HMEJAXMCEAFTDP-UHFFFAOYSA-N 0 0 431.448 3.603 50 0 IHAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000008736000 569472699 /nfs/dbraw/zinc/47/26/99/569472699.db2.gz MYZDKPZWQHVJGZ-SANMLTNESA-N 0 0 447.535 3.503 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000008736003 569472711 /nfs/dbraw/zinc/47/27/11/569472711.db2.gz MYZDKPZWQHVJGZ-AREMUKBSSA-N 0 0 447.535 3.503 50 0 IHAARN COc1cccc(-n2nc(C)c(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)c2C)c1 ZINC000008735933 569472752 /nfs/dbraw/zinc/47/27/52/569472752.db2.gz GUZBWGGETDHNEO-UHFFFAOYSA-N 0 0 432.524 3.961 50 0 IHAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc(Cl)c(OC)cc3oc2=O)cc1OC ZINC000008751928 569473483 /nfs/dbraw/zinc/47/34/83/569473483.db2.gz IALAXECYMQTCLM-UHFFFAOYSA-N 0 0 445.899 3.682 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000008755457 569473936 /nfs/dbraw/zinc/47/39/36/569473936.db2.gz MDDIMQFEWGMXAU-UHFFFAOYSA-N 0 0 436.917 3.886 50 0 IHAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc2c(c1)OCO2 ZINC000008759021 569474212 /nfs/dbraw/zinc/47/42/12/569474212.db2.gz QWZJGNZBZXMRKC-UHFFFAOYSA-N 0 0 434.271 3.959 50 0 IHAARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000008768864 569475000 /nfs/dbraw/zinc/47/50/00/569475000.db2.gz GUAJVEMSZQGCBA-QGZVFWFLSA-N 0 0 445.541 3.684 50 0 IHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000008843845 569478561 /nfs/dbraw/zinc/47/85/61/569478561.db2.gz NRWYIZWGHTTWCM-FQEVSTJZSA-N 0 0 441.553 3.761 50 0 IHAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cs2)c1 ZINC000008850962 569479339 /nfs/dbraw/zinc/47/93/39/569479339.db2.gz BPLFLHIJXMRKKU-UHFFFAOYSA-N 0 0 441.578 3.784 50 0 IHAARN C[C@@H]1C[C@H](C)CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000008854660 569479595 /nfs/dbraw/zinc/47/95/95/569479595.db2.gz RCXIBGQGEIVURL-JRPNMDOOSA-N 0 0 444.167 3.821 50 0 IHAARN Cc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)coc2c1C ZINC000008867699 569480270 /nfs/dbraw/zinc/48/02/70/569480270.db2.gz PLMMCZKBMQTSKG-HXUWFJFHSA-N 0 0 429.513 3.947 50 0 IHAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008868028 569480297 /nfs/dbraw/zinc/48/02/97/569480297.db2.gz HUXZILCXBZUURT-LJQANCHMSA-N 0 0 439.533 3.746 50 0 IHAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000008871488 569480800 /nfs/dbraw/zinc/48/08/00/569480800.db2.gz GJGJZLASQBKEMZ-AWEZNQCLSA-N 0 0 427.888 3.782 50 0 IHAARN CCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000008871968 569480867 /nfs/dbraw/zinc/48/08/67/569480867.db2.gz QELLTTKVESREMJ-UHFFFAOYSA-N 0 0 432.505 3.847 50 0 IHAARN Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000040012219 569482532 /nfs/dbraw/zinc/48/25/32/569482532.db2.gz DXDFXNUDZWPCHP-UHFFFAOYSA-N 0 0 425.872 3.647 50 0 IHAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)cc1C ZINC000008882434 569482959 /nfs/dbraw/zinc/48/29/59/569482959.db2.gz NFXCBIMLDXVQEF-UHFFFAOYSA-N 0 0 439.537 3.957 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@@H](C)C(=O)N4CCCC4)cc3)ccc12 ZINC000008888312 569483248 /nfs/dbraw/zinc/48/32/48/569483248.db2.gz OQKKKPQUOGVBBT-KRWDZBQOSA-N 0 0 435.476 3.848 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC ZINC000040039794 569483360 /nfs/dbraw/zinc/48/33/60/569483360.db2.gz JPQNBJJNBDUDLB-GOSISDBHSA-N 0 0 437.471 3.675 50 0 IHAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCC3 ZINC000008893325 569483574 /nfs/dbraw/zinc/48/35/74/569483574.db2.gz PCSPCWCGRFGZGU-LBPRGKRZSA-N 0 0 430.551 3.988 50 0 IHAARN CCOc1ccccc1-c1nc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 ZINC000040043338 569483631 /nfs/dbraw/zinc/48/36/31/569483631.db2.gz BYSRFPLRIVTXGH-UHFFFAOYSA-N 0 0 445.566 3.654 50 0 IHAARN Cc1cc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000040043193 569483660 /nfs/dbraw/zinc/48/36/60/569483660.db2.gz DVZOESYTVWWJKT-UHFFFAOYSA-N 0 0 439.560 3.730 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000008893750 569483682 /nfs/dbraw/zinc/48/36/82/569483682.db2.gz HTYQUOOIEAFVQF-UHFFFAOYSA-N 0 0 441.915 3.718 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1-c1cccc(C)c1 ZINC000008896957 569483927 /nfs/dbraw/zinc/48/39/27/569483927.db2.gz RCDSWUIJRVQXLO-UHFFFAOYSA-N 0 0 439.932 3.849 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccncc1)C(=O)N1CCc2ccccc21 ZINC000008901436 569484303 /nfs/dbraw/zinc/48/43/03/569484303.db2.gz IOJUEUMNDPPMJX-QGZVFWFLSA-N 0 0 442.544 3.910 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC000008901834 569484318 /nfs/dbraw/zinc/48/43/18/569484318.db2.gz TUCGHPBTUBLPRW-UHFFFAOYSA-N 0 0 449.532 3.891 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000040052660 569484540 /nfs/dbraw/zinc/48/45/40/569484540.db2.gz SLNSAXAXXBSVFY-UHFFFAOYSA-N 0 0 441.940 3.974 50 0 IHAARN CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccccc3-c3ccccc3)cc2)CC1 ZINC000040058347 569484694 /nfs/dbraw/zinc/48/46/94/569484694.db2.gz FFYNXNCKRHCAGU-UHFFFAOYSA-N 0 0 436.533 3.790 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000040059869 569484779 /nfs/dbraw/zinc/48/47/79/569484779.db2.gz AGPFQNPLNMRZKS-CQSZACIVSA-N 0 0 432.402 3.975 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)CC1 ZINC000008911735 569484890 /nfs/dbraw/zinc/48/48/90/569484890.db2.gz UUBUOKDOBVMOEB-UHFFFAOYSA-N 0 0 444.601 3.867 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000008916484 569485796 /nfs/dbraw/zinc/48/57/96/569485796.db2.gz SWVIPWUAHLAHIC-MAUKXSAKSA-N 0 0 439.936 3.771 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000040079593 569486314 /nfs/dbraw/zinc/48/63/14/569486314.db2.gz LPABDQCXPFSRLE-UHFFFAOYSA-N 0 0 449.946 3.758 50 0 IHAARN CCOC(=O)Cc1ncccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000040081558 569486632 /nfs/dbraw/zinc/48/66/32/569486632.db2.gz FOTRXEOIMQUFEJ-GHMZBOCLSA-N 0 0 426.357 3.827 50 0 IHAARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008925988 569487193 /nfs/dbraw/zinc/48/71/93/569487193.db2.gz GFWXYXJMEHIBRN-HXUWFJFHSA-N 0 0 433.460 3.785 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NN=NC2=N1 ZINC000008926989 569487328 /nfs/dbraw/zinc/48/73/28/569487328.db2.gz ZIHQDLLICKXLPZ-KRWDZBQOSA-N 0 0 431.283 3.930 50 0 IHAARN CN(C)C(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl ZINC000040090734 569487440 /nfs/dbraw/zinc/48/74/40/569487440.db2.gz SBJMWQFKWUTHMJ-UHFFFAOYSA-N 0 0 428.657 3.899 50 0 IHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000040094193 569487484 /nfs/dbraw/zinc/48/74/84/569487484.db2.gz PHEWJNLKJKIEEP-UHFFFAOYSA-N 0 0 433.439 3.706 50 0 IHAARN O=C(CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(F)c(Cl)c1 ZINC000008931689 569487584 /nfs/dbraw/zinc/48/75/84/569487584.db2.gz HHPSALOKNOYXEK-UHFFFAOYSA-N 0 0 442.878 3.883 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCCc1ccccc1 ZINC000008933042 569487753 /nfs/dbraw/zinc/48/77/53/569487753.db2.gz IFEMLFNSYOZQKH-UHFFFAOYSA-N 0 0 436.515 3.758 50 0 IHAARN Cc1ccc(-c2csc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000008935971 569488025 /nfs/dbraw/zinc/48/80/25/569488025.db2.gz HNTBMWYRYHQQBH-UHFFFAOYSA-N 0 0 427.551 3.788 50 0 IHAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1cccc2ccccc21 ZINC000008940803 569488366 /nfs/dbraw/zinc/48/83/66/569488366.db2.gz AMKAAYZZMWPAFF-UHFFFAOYSA-N 0 0 434.569 3.882 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)COc2ccc(C(C)C)cc2)c(NC(C)C)n1 ZINC000008941732 569488600 /nfs/dbraw/zinc/48/86/00/569488600.db2.gz DAGQUDFPIURDEZ-UHFFFAOYSA-N 0 0 442.589 3.687 50 0 IHAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O ZINC000040114572 569489099 /nfs/dbraw/zinc/48/90/99/569489099.db2.gz UJMJVKVWMGVIOJ-IQMFZBJNSA-N 0 0 441.553 3.990 50 0 IHAARN CCSc1nc2c(cnn2CCNC(=O)c2c(F)cccc2F)c(NCC(C)C)n1 ZINC000008948878 569489192 /nfs/dbraw/zinc/48/91/92/569489192.db2.gz QKVZUNNMRUEAGB-UHFFFAOYSA-N 0 0 434.516 3.714 50 0 IHAARN C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000040116675 569489307 /nfs/dbraw/zinc/48/93/07/569489307.db2.gz IPTHYAQDAMPTGM-GOSISDBHSA-N 0 0 425.794 3.765 50 0 IHAARN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000040118861 569489377 /nfs/dbraw/zinc/48/93/77/569489377.db2.gz LDIYRRLRBMDUFC-IRXDYDNUSA-N 0 0 435.615 3.647 50 0 IHAARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000040121285 569489521 /nfs/dbraw/zinc/48/95/21/569489521.db2.gz XUTAFUPTGYGJGH-MRXNPFEDSA-N 0 0 425.367 3.619 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000040121961 569489581 /nfs/dbraw/zinc/48/95/81/569489581.db2.gz VEZHSGJCLYUKGU-CRAIPNDOSA-N 0 0 427.932 3.538 50 0 IHAARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c12 ZINC000040129125 569489794 /nfs/dbraw/zinc/48/97/94/569489794.db2.gz CTSSRGIXWLYHKV-UHFFFAOYSA-N 0 0 428.514 3.555 50 0 IHAARN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)c2)n1 ZINC000040139395 569490911 /nfs/dbraw/zinc/49/09/11/569490911.db2.gz TXPKYFKBDXKLDS-HSZRJFAPSA-N 0 0 430.552 3.834 50 0 IHAARN COC(=O)c1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000040148886 569492388 /nfs/dbraw/zinc/49/23/88/569492388.db2.gz UZSOEXMVRVQGJX-OAQYLSRUSA-N 0 0 436.895 3.914 50 0 IHAARN COC(=O)C[C@H](NC(=O)NCCOc1cccc(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000040151573 569493311 /nfs/dbraw/zinc/49/33/11/569493311.db2.gz RHBKZUBLEBIMAG-SFHVURJKSA-N 0 0 440.418 3.876 50 0 IHAARN Cc1cc(Br)c(O)c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000040151885 569493332 /nfs/dbraw/zinc/49/33/32/569493332.db2.gz GYMADWDKNYKYII-UHFFFAOYSA-N 0 0 430.201 3.860 50 0 IHAARN Cc1ccc(-n2ccnc2S(=O)(=O)CC(=O)Nc2ccc(OC(F)F)cc2)c(C)c1 ZINC000040152136 569493415 /nfs/dbraw/zinc/49/34/15/569493415.db2.gz NIENHRPQGPFHEJ-UHFFFAOYSA-N 0 0 435.452 3.503 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1cnc(N2CCCC2)nc1 ZINC000040152379 569493435 /nfs/dbraw/zinc/49/34/35/569493435.db2.gz ANLLZOFFCXAEBD-FQEVSTJZSA-N 0 0 437.569 3.658 50 0 IHAARN O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040154720 569493833 /nfs/dbraw/zinc/49/38/33/569493833.db2.gz OXHCSCDXYMPQLT-JOCHJYFZSA-N 0 0 429.948 3.579 50 0 IHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1ccsc1-n1cccc1 ZINC000040155031 569493853 /nfs/dbraw/zinc/49/38/53/569493853.db2.gz XEGHDFFJEXMJKD-UHFFFAOYSA-N 0 0 448.474 3.861 50 0 IHAARN NC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc1 ZINC000040156326 569494120 /nfs/dbraw/zinc/49/41/20/569494120.db2.gz DJWXHYAWCXQXJU-UHFFFAOYSA-N 0 0 426.885 3.783 50 0 IHAARN Cc1nc(-c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)cc2)oc1C ZINC000040156461 569494212 /nfs/dbraw/zinc/49/42/12/569494212.db2.gz SYDMURGFSYDOAW-UHFFFAOYSA-N 0 0 442.541 3.724 50 0 IHAARN C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000040159225 569494695 /nfs/dbraw/zinc/49/46/95/569494695.db2.gz DNHXLCHGWDACNB-ABAIWWIYSA-N 0 0 442.932 3.746 50 0 IHAARN O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N[C@H]1CCCc2ccccc21 ZINC000040160621 569495106 /nfs/dbraw/zinc/49/51/06/569495106.db2.gz SXRWYPFCKAYQES-QHCPKHFHSA-N 0 0 441.597 3.857 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000008993704 569495491 /nfs/dbraw/zinc/49/54/91/569495491.db2.gz CJHSZVNXWJOPER-HXUWFJFHSA-N 0 0 433.888 3.538 50 0 IHAARN O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000244942674 569496488 /nfs/dbraw/zinc/49/64/88/569496488.db2.gz CUMPNLZWHLPQTP-UHFFFAOYSA-N 0 0 449.473 3.868 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000244933309 569496489 /nfs/dbraw/zinc/49/64/89/569496489.db2.gz CLNUSJRPWIOYQV-INIZCTEOSA-N 0 0 433.327 3.839 50 0 IHAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc2c(c1)OCCCO2 ZINC000009028257 569497015 /nfs/dbraw/zinc/49/70/15/569497015.db2.gz UVGNSWHASZJEFF-OAHLLOKOSA-N 0 0 437.521 3.980 50 0 IHAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O ZINC000040253382 569497084 /nfs/dbraw/zinc/49/70/84/569497084.db2.gz ZZEZTXPWUGYLKU-LJQANCHMSA-N 0 0 446.551 3.968 50 0 IHAARN COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1Cl 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IHAARN CCCNC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000009334392 569523237 /nfs/dbraw/zinc/52/32/37/569523237.db2.gz FWIPEYGSGFBWOI-UHFFFAOYSA-N 0 0 431.945 3.900 50 0 IHAARN Cc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009339206 569523732 /nfs/dbraw/zinc/52/37/32/569523732.db2.gz RVMCUDXLESTZCT-QFIPXVFZSA-N 0 0 429.586 3.801 50 0 IHAARN O=C(c1cccc(Cl)c1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009346064 569524189 /nfs/dbraw/zinc/52/41/89/569524189.db2.gz UAKWBLURUDZCHK-QGZVFWFLSA-N 0 0 442.762 3.932 50 0 IHAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000009346083 569524205 /nfs/dbraw/zinc/52/42/05/569524205.db2.gz NEBCPIVVGSGCRP-QZTJIDSGSA-N 0 0 437.887 3.740 50 0 IHAARN CCc1cccc(OCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 ZINC000009352304 569524858 /nfs/dbraw/zinc/52/48/58/569524858.db2.gz UBSLCECWUGAXQU-UHFFFAOYSA-N 0 0 431.539 3.762 50 0 IHAARN O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000069950356 569525323 /nfs/dbraw/zinc/52/53/23/569525323.db2.gz VZFBQOPTBJBLSL-UHFFFAOYSA-N 0 0 425.492 3.744 50 0 IHAARN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCCC(=O)NC(C)C)c12 ZINC000069951132 569525375 /nfs/dbraw/zinc/52/53/75/569525375.db2.gz OCFWSPOKTIMDBD-UHFFFAOYSA-N 0 0 434.418 3.862 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000009358523 569525606 /nfs/dbraw/zinc/52/56/06/569525606.db2.gz YQUUXBMQTLZANH-UHFFFAOYSA-N 0 0 436.489 3.930 50 0 IHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 ZINC000041076598 569526493 /nfs/dbraw/zinc/52/64/93/569526493.db2.gz FRPDKUPVORDTAZ-NRFANRHFSA-N 0 0 433.464 3.971 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000009367812 569526505 /nfs/dbraw/zinc/52/65/05/569526505.db2.gz VHFYWFQGRYVXEG-UHFFFAOYSA-N 0 0 429.457 3.904 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O ZINC000069980520 569526934 /nfs/dbraw/zinc/52/69/34/569526934.db2.gz VHKNOSQZLCKARV-JBEBIEQOSA-N 0 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ZINC000009398528 569529281 /nfs/dbraw/zinc/52/92/81/569529281.db2.gz BERNLRVGYYVNHT-UHFFFAOYSA-N 0 0 436.493 3.985 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)cc1C ZINC000009405331 569529842 /nfs/dbraw/zinc/52/98/42/569529842.db2.gz YKFJNVYYBJCLQZ-UHFFFAOYSA-N 0 0 449.511 3.722 50 0 IHAARN CC[C@H](NC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCCCC2)CC1)c1cccs1 ZINC000009407341 569530242 /nfs/dbraw/zinc/53/02/42/569530242.db2.gz JTPKHNWENJLCIX-ABHNRTSZSA-N 0 0 443.613 3.820 50 0 IHAARN CCOc1cc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000009408920 569530746 /nfs/dbraw/zinc/53/07/46/569530746.db2.gz ZIMZOJXVKKUDFO-CMJOXMDJSA-N 0 0 435.480 3.611 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1OCC ZINC000009413339 569531711 /nfs/dbraw/zinc/53/17/11/569531711.db2.gz FKVWPEXBNCXKBB-WJOKGBTCSA-N 0 0 439.537 3.993 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)C[S@](=O)C3)cc1 ZINC000009413275 569531729 /nfs/dbraw/zinc/53/17/29/569531729.db2.gz 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CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC)S3)c1 ZINC000009430156 569533863 /nfs/dbraw/zinc/53/38/63/569533863.db2.gz ULLZSGITZNOESX-SFHVURJKSA-N 0 0 432.567 3.874 50 0 IHAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC[C@@H](C)c3ccccc3)cc2NC1=O ZINC000009430170 569533866 /nfs/dbraw/zinc/53/38/66/569533866.db2.gz QDGPOCQYJUJRJK-BEFAXECRSA-N 0 0 446.594 3.593 50 0 IHAARN CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(=O)OCC)=NN2c2ccccc2)N1C ZINC000009431008 569534053 /nfs/dbraw/zinc/53/40/53/569534053.db2.gz PWTVRIVLZWUBTP-HXUWFJFHSA-N 0 0 435.571 3.981 50 0 IHAARN CCCn1c2nnc(CCCC(=O)NC[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000009431472 569534197 /nfs/dbraw/zinc/53/41/97/569534197.db2.gz XELUUNLXECGOHG-MRXNPFEDSA-N 0 0 437.569 3.758 50 0 IHAARN CCCN1c2ccccc2[C@]2(C1=O)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCOC ZINC000009431977 569534313 /nfs/dbraw/zinc/53/43/13/569534313.db2.gz SXIOOJOFDHPYBA-AREMUKBSSA-N 0 0 446.503 3.512 50 0 IHAARN CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(C)c1 ZINC000009440769 569535270 /nfs/dbraw/zinc/53/52/70/569535270.db2.gz YUVXYZYFEQTUNT-OAHLLOKOSA-N 0 0 432.567 3.645 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000009443696 569535704 /nfs/dbraw/zinc/53/57/04/569535704.db2.gz FFRGMEVBUILCCY-GOSISDBHSA-N 0 0 446.301 3.733 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)CCSc2ccccc2Cl)cc1OC ZINC000009443199 569535721 /nfs/dbraw/zinc/53/57/21/569535721.db2.gz RJJPNHCWEDDJEK-UHFFFAOYSA-N 0 0 437.945 3.742 50 0 IHAARN Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000009450283 569536304 /nfs/dbraw/zinc/53/63/04/569536304.db2.gz JBKIOVFYFWCRIL-FQEVSTJZSA-N 0 0 426.538 3.515 50 0 IHAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000009451434 569536409 /nfs/dbraw/zinc/53/64/09/569536409.db2.gz UMUJMHZZZZOXRX-SFHVURJKSA-N 0 0 435.929 3.882 50 0 IHAARN COc1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000009459311 569536846 /nfs/dbraw/zinc/53/68/46/569536846.db2.gz VNGSUZZIXHIUPE-XSFOEPMVSA-N 0 0 449.956 3.586 50 0 IHAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1c(Cl)cccc1Cl ZINC000009461812 569537187 /nfs/dbraw/zinc/53/71/87/569537187.db2.gz SUDLDCRITRAMGP-UHFFFAOYSA-N 0 0 438.235 3.785 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cncn2-c2ccccc2)c1C ZINC000009463359 569537436 /nfs/dbraw/zinc/53/74/36/569537436.db2.gz WFQPPLZFGTYBQL-OAQYLSRUSA-N 0 0 432.524 3.749 50 0 IHAARN CCc1ccc(-c2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n[nH]2)cc1 ZINC000009465144 569537843 /nfs/dbraw/zinc/53/78/43/569537843.db2.gz RBEKAVHIMFFUAN-UHFFFAOYSA-N 0 0 441.582 3.804 50 0 IHAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@H]4CCOc5ccccc54)c(=O)c3s2)cc1 ZINC000009465786 569538049 /nfs/dbraw/zinc/53/80/49/569538049.db2.gz VEKXPENCDQKCEX-SFHVURJKSA-N 0 0 447.516 3.774 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000009478002 569539263 /nfs/dbraw/zinc/53/92/63/569539263.db2.gz KQPAHPWCYMCQGF-OAQYLSRUSA-N 0 0 426.563 3.786 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009478455 569539341 /nfs/dbraw/zinc/53/93/41/569539341.db2.gz IZEHFXAPLGALSL-UHFFFAOYSA-N 0 0 428.510 3.765 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000009486143 569539617 /nfs/dbraw/zinc/53/96/17/569539617.db2.gz PYGZMVITHVEOHU-QMIHWGKISA-N 0 0 444.963 3.759 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000009490633 569540293 /nfs/dbraw/zinc/54/02/93/569540293.db2.gz SSCUFYNFZWNNAP-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 IHAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000009491455 569540415 /nfs/dbraw/zinc/54/04/15/569540415.db2.gz XQKXOFUDYXWOLU-UHFFFAOYSA-N 0 0 429.826 3.876 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000009492660 569540662 /nfs/dbraw/zinc/54/06/62/569540662.db2.gz PEQVVDVFMVDFDC-UHFFFAOYSA-N 0 0 441.956 3.757 50 0 IHAARN O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 ZINC000009494634 569540922 /nfs/dbraw/zinc/54/09/22/569540922.db2.gz SYLIKNGTQRADJC-FQEVSTJZSA-N 0 0 431.517 3.939 50 0 IHAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccsc2)no1 ZINC000009497785 569541340 /nfs/dbraw/zinc/54/13/40/569541340.db2.gz NXQFOGDBOUTEQA-QHCPKHFHSA-N 0 0 430.489 3.988 50 0 IHAARN CCn1c(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nnc1-c1ccccc1 ZINC000009499256 569541432 /nfs/dbraw/zinc/54/14/32/569541432.db2.gz MCMURZUBNLFHPO-UHFFFAOYSA-N 0 0 438.553 3.659 50 0 IHAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000009501479 569541607 /nfs/dbraw/zinc/54/16/07/569541607.db2.gz LLNJMKVULOSXNQ-UHFFFAOYSA-N 0 0 442.566 3.672 50 0 IHAARN COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009502359 569541652 /nfs/dbraw/zinc/54/16/52/569541652.db2.gz RTZRRHDJHRGNJV-VWLOTQADSA-N 0 0 432.451 3.707 50 0 IHAARN CCn1c2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2[nH]c(=O)c1=O ZINC000009508166 569542232 /nfs/dbraw/zinc/54/22/32/569542232.db2.gz QLZZBWFIDNJCRX-UHFFFAOYSA-N 0 0 427.504 3.662 50 0 IHAARN O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000009508564 569542353 /nfs/dbraw/zinc/54/23/53/569542353.db2.gz GCAWFGMURXAXGL-UHFFFAOYSA-N 0 0 444.450 3.562 50 0 IHAARN O=C(CCNC(=O)c1ccccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009512191 569542910 /nfs/dbraw/zinc/54/29/10/569542910.db2.gz LJXFEBVWMCOVPY-IBGZPJMESA-N 0 0 428.916 3.985 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000009514924 569543267 /nfs/dbraw/zinc/54/32/67/569543267.db2.gz NINTVRQRNVSXHG-QGZVFWFLSA-N 0 0 426.476 3.526 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CSc1nnnn1C1CC1 ZINC000009515326 569543300 /nfs/dbraw/zinc/54/33/00/569543300.db2.gz VWLVZEXJSJYORH-UHFFFAOYSA-N 0 0 448.346 3.781 50 0 IHAARN CCSc1nnc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)s1 ZINC000009517414 569543617 /nfs/dbraw/zinc/54/36/17/569543617.db2.gz KNXAGSHXMUABRC-UHFFFAOYSA-N 0 0 437.572 3.584 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009517651 569543714 /nfs/dbraw/zinc/54/37/14/569543714.db2.gz OWUGYQFYBTUPGW-UHFFFAOYSA-N 0 0 436.472 3.644 50 0 IHAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009517887 569543878 /nfs/dbraw/zinc/54/38/78/569543878.db2.gz DXNLLYKMVOEBBR-AWEZNQCLSA-N 0 0 428.514 3.961 50 0 IHAARN COc1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)c(OC)c1 ZINC000009529263 569544797 /nfs/dbraw/zinc/54/47/97/569544797.db2.gz HMRJBAJUNRAQHI-UHFFFAOYSA-N 0 0 447.944 3.825 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000009530119 569544978 /nfs/dbraw/zinc/54/49/78/569544978.db2.gz QVRQOKDBTAAEFC-IRXDYDNUSA-N 0 0 435.958 3.581 50 0 IHAARN O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000009533634 569545407 /nfs/dbraw/zinc/54/54/07/569545407.db2.gz QECBBJOWANBYEZ-CRAIPNDOSA-N 0 0 430.957 3.894 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1 ZINC000009536579 569545584 /nfs/dbraw/zinc/54/55/84/569545584.db2.gz IUFWBEIXISRUTG-QHCPKHFHSA-N 0 0 429.520 3.889 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000009540082 569545729 /nfs/dbraw/zinc/54/57/29/569545729.db2.gz GLZULZOMBWCVSO-SFHVURJKSA-N 0 0 435.402 3.989 50 0 IHAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009540080 569545742 /nfs/dbraw/zinc/54/57/42/569545742.db2.gz GSETXZBHMUVCIC-SFHVURJKSA-N 0 0 435.402 3.989 50 0 IHAARN O=C(COC(=O)c1cccc(I)c1)Nc1ccc(F)cc1Cl ZINC000009540418 569545799 /nfs/dbraw/zinc/54/57/99/569545799.db2.gz QDOJRBWVDWMIJD-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009540844 569545830 /nfs/dbraw/zinc/54/58/30/569545830.db2.gz WRAMQDAOPDCXRB-UHFFFAOYSA-N 0 0 443.895 3.572 50 0 IHAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(F)cc1 ZINC000009544400 569545964 /nfs/dbraw/zinc/54/59/64/569545964.db2.gz WLNKRJFRELZDQO-UHFFFAOYSA-N 0 0 435.565 3.884 50 0 IHAARN CCOC(=O)C1=C(COC(=O)CCc2c[nH]c3ccccc23)NC(=O)N[C@H]1c1ccccc1 ZINC000009550186 569546656 /nfs/dbraw/zinc/54/66/56/569546656.db2.gz ZRHDDDSFBHNMCZ-QHCPKHFHSA-N 0 0 447.491 3.515 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O ZINC000009550375 569546695 /nfs/dbraw/zinc/54/66/95/569546695.db2.gz CRJQIHIWQBTMHB-HHHXNRCGSA-N 0 0 439.515 3.923 50 0 IHAARN Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2c1C ZINC000009552324 569546706 /nfs/dbraw/zinc/54/67/06/569546706.db2.gz MMAQDZORWRLFQV-GFCCVEGCSA-N 0 0 447.413 3.502 50 0 IHAARN CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ccc3ccccc3n2)ccc1Cl ZINC000009562491 569547338 /nfs/dbraw/zinc/54/73/38/569547338.db2.gz PHCNLVBIKQDYIQ-UHFFFAOYSA-N 0 0 435.958 3.869 50 0 IHAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1Cl ZINC000009569007 569547533 /nfs/dbraw/zinc/54/75/33/569547533.db2.gz LFNXTGMUOWWNSP-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN C[C@@H]1CCN(C(=O)CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc2S1 ZINC000009576194 569548057 /nfs/dbraw/zinc/54/80/57/569548057.db2.gz PAZNIEFHQWEWNC-QGZVFWFLSA-N 0 0 436.581 3.884 50 0 IHAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCc1ccc2c(c1)OCO2 ZINC000009576348 569548092 /nfs/dbraw/zinc/54/80/92/569548092.db2.gz NTDOAQPRIOWQCU-UHFFFAOYSA-N 0 0 429.428 3.884 50 0 biogenic IHAARN C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000009576776 569548097 /nfs/dbraw/zinc/54/80/97/569548097.db2.gz VHLPDVWELHYNQE-SFHVURJKSA-N 0 0 426.476 3.755 50 0 IHAARN Cc1cc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)ccc1Br ZINC000070638058 569548934 /nfs/dbraw/zinc/54/89/34/569548934.db2.gz DXHRWNBKJKZRIR-UHFFFAOYSA-N 0 0 441.333 3.588 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3ccccc32)ccc1C ZINC000009580991 569549042 /nfs/dbraw/zinc/54/90/42/569549042.db2.gz XYCAIERVBZNEME-UHFFFAOYSA-N 0 0 444.582 3.700 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009584300 569549376 /nfs/dbraw/zinc/54/93/76/569549376.db2.gz MKYQULNZXALEBA-GOSISDBHSA-N 0 0 440.301 3.977 50 0 IHAARN CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000009587209 569549803 /nfs/dbraw/zinc/54/98/03/569549803.db2.gz FZSXWTSAVRTOIM-UHFFFAOYSA-N 0 0 447.329 3.826 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 ZINC000009592492 569550353 /nfs/dbraw/zinc/55/03/53/569550353.db2.gz AZPODBKOVNYSBG-XMMPIXPASA-N 0 0 438.487 3.783 50 0 IHAARN Cc1oc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c2c1c(C)n[nH]c2=O ZINC000009595544 569550752 /nfs/dbraw/zinc/55/07/52/569550752.db2.gz BTTKVIIFKXWEPR-UHFFFAOYSA-N 0 0 432.811 3.931 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000009599783 569551309 /nfs/dbraw/zinc/55/13/09/569551309.db2.gz YACOKKFCMRIHTC-UHFFFAOYSA-N 0 0 427.511 3.601 50 0 IHAARN O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccccc1Cl ZINC000009600176 569551453 /nfs/dbraw/zinc/55/14/53/569551453.db2.gz NSVYXCQRTHYOTD-UHFFFAOYSA-N 0 0 438.987 3.843 50 0 IHAARN Cc1cc(Cl)ccc1Oc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C ZINC000009601609 569551671 /nfs/dbraw/zinc/55/16/71/569551671.db2.gz HMWPMKSAXPRLAG-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 biogenic IHAARN O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccn1)C1CC1 ZINC000009606180 569551946 /nfs/dbraw/zinc/55/19/46/569551946.db2.gz XBZKFINMVJXMAQ-UHFFFAOYSA-N 0 0 446.164 3.960 50 0 IHAARN Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000009608211 569552101 /nfs/dbraw/zinc/55/21/01/569552101.db2.gz GZMUGMZTFSHGMF-UHFFFAOYSA-N 0 0 444.582 3.723 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000009614157 569553069 /nfs/dbraw/zinc/55/30/69/569553069.db2.gz VSNXAAHIWBRUBU-UHFFFAOYSA-N 0 0 441.513 3.767 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 ZINC000009627182 569553547 /nfs/dbraw/zinc/55/35/47/569553547.db2.gz KTCYOWQLVJMYLN-UHFFFAOYSA-N 0 0 446.326 3.952 50 0 IHAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000009629668 569553596 /nfs/dbraw/zinc/55/35/96/569553596.db2.gz WDHDRYWWWUPZRG-UHFFFAOYSA-N 0 0 429.519 3.923 50 0 IHAARN O=C(OCc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009631171 569553682 /nfs/dbraw/zinc/55/36/82/569553682.db2.gz AUDYKDGWUWBRSP-UHFFFAOYSA-N 0 0 428.491 3.725 50 0 IHAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000009631319 569553765 /nfs/dbraw/zinc/55/37/65/569553765.db2.gz AQSIBRHNUHZHTC-IRXDYDNUSA-N 0 0 434.492 3.703 50 0 IHAARN CCSc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)s1 ZINC000009631949 569553894 /nfs/dbraw/zinc/55/38/94/569553894.db2.gz IGZGCGZZZIMJOT-LBPRGKRZSA-N 0 0 443.392 3.806 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000009633238 569554237 /nfs/dbraw/zinc/55/42/37/569554237.db2.gz WSKLDVJJCYYOHF-AWEZNQCLSA-N 0 0 446.598 3.896 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccco2)cc1 ZINC000009635076 569554575 /nfs/dbraw/zinc/55/45/75/569554575.db2.gz TWIGWVIYLOCIQG-UHFFFAOYSA-N 0 0 432.473 3.565 50 0 IHAARN O=C(Nc1ccnn1Cc1ccccn1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000009635540 569554703 /nfs/dbraw/zinc/55/47/03/569554703.db2.gz IPAPTUMIKJHCOZ-UHFFFAOYSA-N 0 0 445.504 3.896 50 0 IHAARN COc1ccc(OC)c(-n2nnc(-c3nsc(NC(=O)c4cccc(C)c4)n3)c2C)c1 ZINC000009639087 569555088 /nfs/dbraw/zinc/55/50/88/569555088.db2.gz ZHUCSXVLDPMDCK-UHFFFAOYSA-N 0 0 436.497 3.672 50 0 IHAARN C[C@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000009644668 569556077 /nfs/dbraw/zinc/55/60/77/569556077.db2.gz ICLDVQLDEKVWAO-QMMMGPOBSA-N 0 0 431.659 3.805 50 0 IHAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000009661189 569556991 /nfs/dbraw/zinc/55/69/91/569556991.db2.gz YFWUQOWMIMVRBC-UHFFFAOYSA-N 0 0 443.442 3.710 50 0 IHAARN O=C(Nc1cccc(F)c1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663626 569557248 /nfs/dbraw/zinc/55/72/48/569557248.db2.gz VPGZFNXCQNDSRF-LJQANCHMSA-N 0 0 432.455 3.709 50 0 IHAARN Cc1ccc(C)c(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 ZINC000009664140 569557357 /nfs/dbraw/zinc/55/73/57/569557357.db2.gz DWHHJBAOZDTQDY-INIZCTEOSA-N 0 0 446.554 3.597 50 0 IHAARN Cc1ccc2c(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)cc(=O)oc2c1 ZINC000009664575 569557402 /nfs/dbraw/zinc/55/74/02/569557402.db2.gz VHLWFBKKEJOKNW-OAQYLSRUSA-N 0 0 441.281 3.831 50 0 IHAARN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000009668202 569557923 /nfs/dbraw/zinc/55/79/23/569557923.db2.gz JTSJWSMWHLRIKI-UHFFFAOYSA-N 0 0 429.480 3.621 50 0 IHAARN Cc1ccc(-c2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)n[nH]2)cc1 ZINC000009669642 569558104 /nfs/dbraw/zinc/55/81/04/569558104.db2.gz WCWNAHHQSBEVGH-GFCCVEGCSA-N 0 0 441.582 3.796 50 0 IHAARN C[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(-c4cccs4)n3)c2C(N)=O)C1 ZINC000009669640 569558111 /nfs/dbraw/zinc/55/81/11/569558111.db2.gz MHIXOGYBLVBKIQ-VIFPVBQESA-N 0 0 433.584 3.549 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000009670456 569558328 /nfs/dbraw/zinc/55/83/28/569558328.db2.gz QSQCKDZJYQMACP-QHCPKHFHSA-N 0 0 438.549 3.565 50 0 IHAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N(C)Cc2ccco2)c1OC ZINC000009671150 569558507 /nfs/dbraw/zinc/55/85/07/569558507.db2.gz DHCRCHYCDBOTRZ-UHFFFAOYSA-N 0 0 448.472 3.509 50 0 IHAARN COc1cc(C(=O)COC(=O)CSc2ncnc3sccc32)ccc1OC(F)F ZINC000009671844 569558668 /nfs/dbraw/zinc/55/86/68/569558668.db2.gz ILAUACMIWPOWSX-UHFFFAOYSA-N 0 0 440.449 3.820 50 0 IHAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1F ZINC000009678291 569559687 /nfs/dbraw/zinc/55/96/87/569559687.db2.gz MWYUXIOMLCUYJJ-UHFFFAOYSA-N 0 0 427.501 3.722 50 0 IHAARN CCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1OC ZINC000009684659 569560574 /nfs/dbraw/zinc/56/05/74/569560574.db2.gz CEBIZBQEVYQSLP-HXUWFJFHSA-N 0 0 438.553 3.666 50 0 IHAARN Cc1cccc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1 ZINC000009692608 569561147 /nfs/dbraw/zinc/56/11/47/569561147.db2.gz ZYNVLRPNLAILCZ-LJQANCHMSA-N 0 0 438.534 3.658 50 0 IHAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000009707736 569561667 /nfs/dbraw/zinc/56/16/67/569561667.db2.gz YFCJXODLGROPEP-UHFFFAOYSA-N 0 0 436.287 3.545 50 0 IHAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009712215 569562208 /nfs/dbraw/zinc/56/22/08/569562208.db2.gz VXRRAONDGVHKIL-JOCHJYFZSA-N 0 0 449.551 3.906 50 0 IHAARN O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000009712892 569562365 /nfs/dbraw/zinc/56/23/65/569562365.db2.gz LKHPIBNOXXGMEB-UHFFFAOYSA-N 0 0 445.504 3.831 50 0 IHAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000009713141 569562481 /nfs/dbraw/zinc/56/24/81/569562481.db2.gz XQVYGIJIOMDOIU-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CSc1nnc(C2CC2)n1C ZINC000009714051 569562692 /nfs/dbraw/zinc/56/26/92/569562692.db2.gz WYNPRTMOSYRODG-UHFFFAOYSA-N 0 0 446.964 3.925 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000009715054 569562990 /nfs/dbraw/zinc/56/29/90/569562990.db2.gz LJPWNQUQJRNOOY-UHFFFAOYSA-N 0 0 435.505 3.812 50 0 IHAARN C[C@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000009716068 569563142 /nfs/dbraw/zinc/56/31/42/569563142.db2.gz ZQSRITBZNFFHFD-INIZCTEOSA-N 0 0 440.455 3.622 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000009721823 569563459 /nfs/dbraw/zinc/56/34/59/569563459.db2.gz FQKAXWLZPWCWGB-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc32)nnc1N1CCOCC1 ZINC000009724088 569563653 /nfs/dbraw/zinc/56/36/53/569563653.db2.gz YUSNXOPLSGLVTP-UHFFFAOYSA-N 0 0 433.537 3.869 50 0 IHAARN CCN(C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1)C1CCCCC1 ZINC000009726095 569563882 /nfs/dbraw/zinc/56/38/82/569563882.db2.gz AJJICEZVGWZWGB-UHFFFAOYSA-N 0 0 443.617 3.686 50 0 IHAARN Cc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C ZINC000009731537 569564616 /nfs/dbraw/zinc/56/46/16/569564616.db2.gz OLASTHLFTVBUBI-UHFFFAOYSA-N 0 0 426.567 3.869 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cn2ccsc2n1 ZINC000009731665 569564683 /nfs/dbraw/zinc/56/46/83/569564683.db2.gz LOOZOLSCCRCFIX-UHFFFAOYSA-N 0 0 436.493 3.847 50 0 IHAARN O=C(CSc1nnnn1Cc1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009740932 569565222 /nfs/dbraw/zinc/56/52/22/569565222.db2.gz FENHTSBRMDAHIE-UHFFFAOYSA-N 0 0 443.554 3.945 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)ccc1F ZINC000009741703 569565330 /nfs/dbraw/zinc/56/53/30/569565330.db2.gz CJMWGXPOAYBOIL-IBGZPJMESA-N 0 0 439.555 3.689 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)ccc1F ZINC000009742680 569565450 /nfs/dbraw/zinc/56/54/50/569565450.db2.gz BQLCQALRSQWSKU-INIZCTEOSA-N 0 0 445.584 3.751 50 0 IHAARN CCCn1c(SCC(=O)NCc2ccccc2OC)nc2c3ccccc3oc2c1=O ZINC000009751832 569566084 /nfs/dbraw/zinc/56/60/84/569566084.db2.gz NXYJBLRQNJSQGJ-UHFFFAOYSA-N 0 0 437.521 3.970 50 0 IHAARN CCCn1c(SCC(=O)NCc2cccc(OC)c2)nc2c3ccccc3oc2c1=O ZINC000009751852 569566111 /nfs/dbraw/zinc/56/61/11/569566111.db2.gz SSSOLBIAXNJCKW-UHFFFAOYSA-N 0 0 437.521 3.970 50 0 IHAARN COc1ccccc1-n1ccnc(SCC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000009761464 569566277 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440.503 3.905 50 0 IHAARN Cc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(Cl)cc1Cl ZINC000009789008 569567988 /nfs/dbraw/zinc/56/79/88/569567988.db2.gz YIKQHGNFWJOZGL-DGIBIBHMSA-N 0 0 427.332 3.772 50 0 IHAARN Cn1c2nc3oc(-c4ccc(Cl)cc4)cn3c2c(=O)n(Cc2ccccc2Cl)c1=O ZINC000009789756 569568153 /nfs/dbraw/zinc/56/81/53/569568153.db2.gz IYDQYLAAVXDYOM-UHFFFAOYSA-N 0 0 441.274 3.963 50 0 IHAARN C[C@@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009790488 569568176 /nfs/dbraw/zinc/56/81/76/569568176.db2.gz YETUHOQUDZBKFO-SFHVURJKSA-N 0 0 440.565 3.971 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000009807239 569569009 /nfs/dbraw/zinc/56/90/09/569569009.db2.gz QVKPBYVBSQXAEU-GOSISDBHSA-N 0 0 440.487 3.905 50 0 IHAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)c(Cl)c4)cn(C)c3c2=O)cc1 ZINC000009820843 569569464 /nfs/dbraw/zinc/56/94/64/569569464.db2.gz VPKGTWJZLLZJGX-UHFFFAOYSA-N 0 0 443.290 3.885 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc(OCC)c1OCC ZINC000009828076 569569721 /nfs/dbraw/zinc/56/97/21/569569721.db2.gz BCQFBGWTQZKTIS-UHFFFAOYSA-N 0 0 428.485 3.599 50 0 IHAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC3)n1 ZINC000009828807 569569931 /nfs/dbraw/zinc/56/99/31/569569931.db2.gz BSTKYEINCPSTEZ-UHFFFAOYSA-N 0 0 445.445 3.582 50 0 IHAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000009833821 569570394 /nfs/dbraw/zinc/57/03/94/569570394.db2.gz JOIXHGDCQLYBMM-UHFFFAOYSA-N 0 0 429.476 3.974 50 0 IHAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)NC[C@H]1COc2ccccc2O1 ZINC000009833899 569570427 /nfs/dbraw/zinc/57/04/27/569570427.db2.gz HPBWQQFJBRDRPV-INIZCTEOSA-N 0 0 433.489 3.693 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccc(F)cc2)cc1 ZINC000009845338 569570961 /nfs/dbraw/zinc/57/09/61/569570961.db2.gz ARIQJSRIHZZCQN-UHFFFAOYSA-N 0 0 449.507 3.942 50 0 IHAARN CCCOc1ccc(CNC(=O)Cn2nc(CC)n3c4cc(C)sc4cc3c2=O)cc1 ZINC000009848662 569571274 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COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OCC(C)C ZINC000009956708 569574737 /nfs/dbraw/zinc/57/47/37/569574737.db2.gz IWMHVWXMGXNCDA-UHFFFAOYSA-N 0 0 434.539 3.996 50 0 IHAARN Cc1ccc2nc(COC(=O)CSc3ncnc4c5ccccc5oc43)cc(=O)n2c1 ZINC000009960022 569575398 /nfs/dbraw/zinc/57/53/98/569575398.db2.gz CMHFSJJCEIVACE-UHFFFAOYSA-N 0 0 432.461 3.528 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000009960936 569575494 /nfs/dbraw/zinc/57/54/94/569575494.db2.gz SDSOSWKUFFNFNG-IBGZPJMESA-N 0 0 426.520 3.520 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCCc1ccccc1 ZINC000009963542 569575785 /nfs/dbraw/zinc/57/57/85/569575785.db2.gz ZXUGXNSTOSBYSB-UHFFFAOYSA-N 0 0 432.929 3.577 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCc1ccc(C)cc1 ZINC000009963545 569575807 /nfs/dbraw/zinc/57/58/07/569575807.db2.gz FAXBAWBUVHTPNX-UHFFFAOYSA-N 0 0 432.929 3.843 50 0 IHAARN CCCCOC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000009965690 569575901 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IHAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2)n1 ZINC000009990382 569576887 /nfs/dbraw/zinc/57/68/87/569576887.db2.gz UBSNPJJZWZYRFX-UHFFFAOYSA-N 0 0 445.519 3.995 50 0 IHAARN Cc1cccc(NC(=O)CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1C ZINC000010051633 569577483 /nfs/dbraw/zinc/57/74/83/569577483.db2.gz FAKNTORIEZBQAF-UHFFFAOYSA-N 0 0 429.524 3.804 50 0 IHAARN Cc1c(C)n(C(C)C)c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n12 ZINC000010101780 569577825 /nfs/dbraw/zinc/57/78/25/569577825.db2.gz AZAPUJUUDAAIOA-UHFFFAOYSA-N 0 0 434.327 3.702 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 ZINC000010186719 569578479 /nfs/dbraw/zinc/57/84/79/569578479.db2.gz LXMVWAZNLZZOFB-UHFFFAOYSA-N 0 0 425.510 3.503 50 0 IHAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](c2nccn2C)c2ccccc2)n1C ZINC000010188714 569578948 /nfs/dbraw/zinc/57/89/48/569578948.db2.gz GVTHNPXKRZFTQU-HXUWFJFHSA-N 0 0 432.553 3.522 50 0 IHAARN CCOc1ccccc1-c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000010203546 569578959 /nfs/dbraw/zinc/57/89/59/569578959.db2.gz WXPYEXYXNPADTN-UHFFFAOYSA-N 0 0 427.258 3.656 50 0 IHAARN CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213887 569579114 /nfs/dbraw/zinc/57/91/14/569579114.db2.gz OVZMTMRKPMIASY-LJQANCHMSA-N 0 0 439.899 3.951 50 0 IHAARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010214336 569579181 /nfs/dbraw/zinc/57/91/81/569579181.db2.gz AFVAMLXKVBSWEX-JOCHJYFZSA-N 0 0 435.524 3.976 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)CC1 ZINC000010232992 569579332 /nfs/dbraw/zinc/57/93/32/569579332.db2.gz BNRCPCVQIGNLIK-UHFFFAOYSA-N 0 0 434.492 3.674 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 ZINC000010286163 569580462 /nfs/dbraw/zinc/58/04/62/569580462.db2.gz KQBAKPXVHZNKLR-INIZCTEOSA-N 0 0 443.594 3.989 50 0 IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1 ZINC000071768528 569580759 /nfs/dbraw/zinc/58/07/59/569580759.db2.gz BIYCTGMAVKXLLE-UHFFFAOYSA-N 0 0 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Cc1coc2c1cc1c(C)c(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)oc1c2C ZINC000009184276 132307641 /nfs/dbraw/zinc/30/76/41/132307641.db2.gz DDCOTSYXRSXGGY-UHFFFAOYSA-N 0 0 431.492 3.751 50 0 IHAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000009207172 132308476 /nfs/dbraw/zinc/30/84/76/132308476.db2.gz AYOODKLVERWEAF-SFHVURJKSA-N 0 0 433.581 3.974 50 0 IHAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2Cl)c4=O)cc1 ZINC000009209566 132308802 /nfs/dbraw/zinc/30/88/02/132308802.db2.gz YIGMEAHSTIEJRA-INIZCTEOSA-N 0 0 449.942 3.695 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211069 132308992 /nfs/dbraw/zinc/30/89/92/132308992.db2.gz SZBOGYZJNPONAK-KRWDZBQOSA-N 0 0 438.963 3.739 50 0 IHAARN CCc1ccccc1N(C)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211309 132309199 /nfs/dbraw/zinc/30/91/99/132309199.db2.gz SSZGTURFQYHVIL-UHFFFAOYSA-N 0 0 432.572 3.995 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)CC2)c1C ZINC000009220947 132309495 /nfs/dbraw/zinc/30/94/95/132309495.db2.gz MGODYCBXQAQBDV-UHFFFAOYSA-N 0 0 448.596 3.733 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)N3CCOc4ccc(Cl)cc43)CC2)c1 ZINC000009251920 132311061 /nfs/dbraw/zinc/31/10/61/132311061.db2.gz OSXKPNSQFLCKBF-UHFFFAOYSA-N 0 0 441.959 3.811 50 0 IHAARN CCOc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccccc43)CC2)cc1 ZINC000009405896 132315194 /nfs/dbraw/zinc/31/51/94/132315194.db2.gz JNYCZGKPGSEBNB-SFHVURJKSA-N 0 0 437.540 3.821 50 0 IHAARN COc1cccc(CNC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)CC2)c1 ZINC000009405916 132315268 /nfs/dbraw/zinc/31/52/68/132315268.db2.gz VSHWCQKNGCUGTJ-SFHVURJKSA-N 0 0 437.540 3.739 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)N2CCOc3ccccc32)C1 ZINC000009405941 132315301 /nfs/dbraw/zinc/31/53/01/132315301.db2.gz MSAROXHSURVBHB-GOSISDBHSA-N 0 0 427.932 3.730 50 0 IHAARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 ZINC000009422342 132316539 /nfs/dbraw/zinc/31/65/39/132316539.db2.gz VHPPODIXJOXBEV-UHFFFAOYSA-N 0 0 426.698 3.616 50 0 IHAARN COc1cc2oc(=O)c(CC(=O)N3CCN(c4ccccc4)CC3)c(C)c2cc1Cl ZINC000009429665 132316947 /nfs/dbraw/zinc/31/69/47/132316947.db2.gz UVTSREDCSARDJO-UHFFFAOYSA-N 0 0 426.900 3.655 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000009469197 132318674 /nfs/dbraw/zinc/31/86/74/132318674.db2.gz OCJYBOCXVOLDRV-UHFFFAOYSA-N 0 0 435.568 3.810 50 0 IHAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)c1 ZINC000009518988 132320207 /nfs/dbraw/zinc/32/02/07/132320207.db2.gz LXVBKKILMGECGM-MRXNPFEDSA-N 0 0 449.942 3.695 50 0 IHAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(Cc2cccc(Cl)c2)c4=O)c1 ZINC000009518987 132320257 /nfs/dbraw/zinc/32/02/57/132320257.db2.gz LXVBKKILMGECGM-INIZCTEOSA-N 0 0 449.942 3.695 50 0 IHAARN O=C(COc1ccccc1F)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 ZINC000009569425 132321843 /nfs/dbraw/zinc/32/18/43/132321843.db2.gz RTUPJWDBOKVBRF-UHFFFAOYSA-N 0 0 440.496 3.985 50 0 IHAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)n2)cc1 ZINC000009573257 132321973 /nfs/dbraw/zinc/32/19/73/132321973.db2.gz RJRWSWYYHAHVDZ-IBGZPJMESA-N 0 0 447.539 3.653 50 0 IHAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 ZINC000009573370 132322153 /nfs/dbraw/zinc/32/21/53/132322153.db2.gz AXTPAGJJYZTSSU-SFHVURJKSA-N 0 0 433.512 3.771 50 0 IHAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000009672023 132325019 /nfs/dbraw/zinc/32/50/19/132325019.db2.gz ITIOURYWKNJDFO-UHFFFAOYSA-N 0 0 435.553 3.712 50 0 IHAARN CCOC(=O)c1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708818 132326686 /nfs/dbraw/zinc/32/66/86/132326686.db2.gz BFAHLFLZRLFCAB-UHFFFAOYSA-N 0 0 448.527 3.935 50 0 IHAARN CC(=O)N1C[C@H](C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000009764466 132328660 /nfs/dbraw/zinc/32/86/60/132328660.db2.gz OLGFBZIABGJQKA-ORAYPTAESA-N 0 0 429.929 3.978 50 0 IHAARN O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009782082 132328959 /nfs/dbraw/zinc/32/89/59/132328959.db2.gz GYTAHKDAVKLNMP-UHFFFAOYSA-N 0 0 430.508 3.826 50 0 IHAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009789334 132328989 /nfs/dbraw/zinc/32/89/89/132328989.db2.gz IWKKYHKQASADGU-AWEZNQCLSA-N 0 0 445.570 3.699 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009892003 132330999 /nfs/dbraw/zinc/33/09/99/132330999.db2.gz XSMFKEWQXVLHPJ-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000009907915 132331399 /nfs/dbraw/zinc/33/13/99/132331399.db2.gz MDZRKPAYPYGALR-UHFFFAOYSA-N 0 0 437.540 3.908 50 0 IHAARN C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000011230908 132337632 /nfs/dbraw/zinc/33/76/32/132337632.db2.gz BREOXDMFXKILSF-UYAOXDASSA-N 0 0 435.524 3.842 50 0 IHAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 ZINC000011697248 132338980 /nfs/dbraw/zinc/33/89/80/132338980.db2.gz IJSFBDQFUXPEPF-UHFFFAOYSA-N 0 0 433.516 3.676 50 0 IHAARN O=C(CCCNC(=O)c1cccs1)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000013003805 132341547 /nfs/dbraw/zinc/34/15/47/132341547.db2.gz LKXYIBPCFUOFSK-UHFFFAOYSA-N 0 0 426.567 3.916 50 0 IHAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)c(C)c1C ZINC000013008994 132342090 /nfs/dbraw/zinc/34/20/90/132342090.db2.gz POAJGUZQVFSVNL-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000013073484 132344105 /nfs/dbraw/zinc/34/41/05/132344105.db2.gz IFLYROVHYVMMIN-FQEVSTJZSA-N 0 0 431.989 3.540 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2N2CCOCC2)cc1 ZINC000013153757 132346032 /nfs/dbraw/zinc/34/60/32/132346032.db2.gz IELBPIQZIPCVHE-NHCUHLMSSA-N 0 0 447.535 3.764 50 0 IHAARN O=C1c2ccccc2C(=CNc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccn1 ZINC000013299117 132346286 /nfs/dbraw/zinc/34/62/86/132346286.db2.gz TYPLGEZPNSQQBU-OQKWZONESA-N 0 0 426.476 3.558 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000013518412 132349265 /nfs/dbraw/zinc/34/92/65/132349265.db2.gz HIOVAQNZJIZQIN-OAHLLOKOSA-N 0 0 429.856 3.697 50 0 IHAARN COC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CCN(C)CC1)CCCC2 ZINC000013591355 132351330 /nfs/dbraw/zinc/35/13/30/132351330.db2.gz YMGZRJMKDZRZRL-UHFFFAOYSA-N 0 0 437.569 3.852 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000014126560 132356162 /nfs/dbraw/zinc/35/61/62/132356162.db2.gz NUBBIKADXVICRB-BQYQJAHWSA-N 0 0 432.904 3.854 50 0 IHAARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000012777366 518398110 /nfs/dbraw/zinc/39/81/10/518398110.db2.gz FZSOKADYYPVFDG-MRXNPFEDSA-N 0 0 436.464 3.514 50 0 IHAARN CC(=O)c1ccc(OCc2cc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)no2)cc1 ZINC000012306771 518398350 /nfs/dbraw/zinc/39/83/50/518398350.db2.gz MXXQOXURDFEULC-OAQYLSRUSA-N 0 0 435.480 3.673 50 0 IHAARN CC(=O)c1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000012912066 518398554 /nfs/dbraw/zinc/39/85/54/518398554.db2.gz RINKZBKEPSQDIV-GOSISDBHSA-N 0 0 438.480 3.907 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1 ZINC000021705907 518590454 /nfs/dbraw/zinc/59/04/54/518590454.db2.gz KMFFGERVBAMEEC-NRFANRHFSA-N 0 0 435.568 3.882 50 0 IHAARN CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000012784650 518734301 /nfs/dbraw/zinc/73/43/01/518734301.db2.gz BPEYXGFBTIIZQS-UHFFFAOYSA-N 0 0 441.535 3.791 50 0 IHAARN CC(C)(C)NC(=O)N1CCCN(c2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000036006274 518740241 /nfs/dbraw/zinc/74/02/41/518740241.db2.gz NFICGMWUONWHQD-UHFFFAOYSA-N 0 0 433.560 3.713 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1 ZINC000020685764 519044355 /nfs/dbraw/zinc/04/43/55/519044355.db2.gz BXADJPLLDWAWKL-UHFFFAOYSA-N 0 0 436.643 3.959 50 0 IHAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020307930 519051371 /nfs/dbraw/zinc/05/13/71/519051371.db2.gz OANXQTLIQIHFDQ-QHCPKHFHSA-N 0 0 446.547 3.968 50 0 IHAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035925455 519459089 /nfs/dbraw/zinc/45/90/89/519459089.db2.gz YAEPACNXWDCQCA-UHFFFAOYSA-N 0 0 430.512 3.569 50 0 IHAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C1CC1 ZINC000036030459 519471583 /nfs/dbraw/zinc/47/15/83/519471583.db2.gz VORRCTQLADEQCJ-UHFFFAOYSA-N 0 0 437.565 3.725 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000018747080 519482645 /nfs/dbraw/zinc/48/26/45/519482645.db2.gz IQMPCBQQVUSCDH-HXUWFJFHSA-N 0 0 444.495 3.513 50 0 IHAARN CC(C)Cn1c(CN2CCn3cccc3[C@@H]2C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000011819214 519485867 /nfs/dbraw/zinc/48/58/67/519485867.db2.gz HROIFBMFWUIFKJ-IBGZPJMESA-N 0 0 426.586 3.891 50 0 IHAARN CC(C)Cn1c2ccc(-c3noc(CCc4c[nH]c5ccccc45)n3)cc2[nH]c(=O)c1=O ZINC000035405535 519489403 /nfs/dbraw/zinc/48/94/03/519489403.db2.gz STNZAGMFYGVGAI-UHFFFAOYSA-N 0 0 429.480 3.662 50 0 IHAARN CC(C)Cn1c2nnc(CCC(=O)Nc3ccc(F)c(F)c3)n2c2ccsc2c1=O ZINC000035528603 519490564 /nfs/dbraw/zinc/49/05/64/519490564.db2.gz YRGXJHYXVJTASF-UHFFFAOYSA-N 0 0 431.468 3.611 50 0 IHAARN CC(=O)N1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000012460461 519565561 /nfs/dbraw/zinc/56/55/61/519565561.db2.gz MMIQRBQNEDUFKS-VAWYXSNFSA-N 0 0 442.563 3.919 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000021871967 519633857 /nfs/dbraw/zinc/63/38/57/519633857.db2.gz XKHFAOMEIAEHSV-MRXNPFEDSA-N 0 0 428.554 3.910 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)OCCOc1cccc(Br)c1)(C3)C2 ZINC000020978450 519642833 /nfs/dbraw/zinc/64/28/33/519642833.db2.gz WJAORBDSAGSDPV-XBLGPDGASA-N 0 0 436.346 3.846 50 0 IHAARN CC(C)CCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000022584136 519655622 /nfs/dbraw/zinc/65/56/22/519655622.db2.gz VUWDPXAZXZTYGA-UHFFFAOYSA-N 0 0 432.568 3.824 50 0 IHAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021858502 519659946 /nfs/dbraw/zinc/65/99/46/519659946.db2.gz BTMVACPKQKCQDB-AREMUKBSSA-N 0 0 447.535 3.947 50 0 IHAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1CCCOC(C)C ZINC000021527927 519660062 /nfs/dbraw/zinc/66/00/62/519660062.db2.gz TWCLDEZSUQVSHH-XMMPIXPASA-N 0 0 429.561 3.940 50 0 IHAARN CC(=O)Nc1cc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)ccc1C ZINC000035552897 519703297 /nfs/dbraw/zinc/70/32/97/519703297.db2.gz OGNWZCVDKQNFOT-UHFFFAOYSA-N 0 0 445.523 3.843 50 0 IHAARN CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2cccc(F)c2)c1=O ZINC000012158404 519708691 /nfs/dbraw/zinc/70/86/91/519708691.db2.gz BYMWFIYWVLDLGV-UHFFFAOYSA-N 0 0 441.547 3.803 50 0 IHAARN CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)cc1 ZINC000020577698 519711184 /nfs/dbraw/zinc/71/11/84/519711184.db2.gz VBDFWHBAFASCIV-QGZVFWFLSA-N 0 0 449.536 3.886 50 0 IHAARN CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000016921052 519711957 /nfs/dbraw/zinc/71/19/57/519711957.db2.gz FSBDTLVMXHGUMX-ZDUSSCGKSA-N 0 0 443.525 3.543 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1Cl ZINC000012799913 519726449 /nfs/dbraw/zinc/72/64/49/519726449.db2.gz YUTOJWWZWVIJLO-UHFFFAOYSA-N 0 0 441.962 3.787 50 0 IHAARN CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)c2ccc(-c3ccco3)cc2)CC1=O ZINC000020779309 519731913 /nfs/dbraw/zinc/73/19/13/519731913.db2.gz KYDKSXSVOULLJO-HSZRJFAPSA-N 0 0 447.535 3.867 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000021820851 519732205 /nfs/dbraw/zinc/73/22/05/519732205.db2.gz GAYYYMQVHPIPPY-UHFFFAOYSA-N 0 0 427.356 3.538 50 0 IHAARN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000012910265 519733340 /nfs/dbraw/zinc/73/33/40/519733340.db2.gz HYCHDFPCUFTVGD-HXUWFJFHSA-N 0 0 444.553 3.512 50 0 IHAARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)C1 ZINC000021709472 519739402 /nfs/dbraw/zinc/73/94/02/519739402.db2.gz RFZQOHGQSSNBGM-GOSISDBHSA-N 0 0 425.504 3.702 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 ZINC000012862535 519743554 /nfs/dbraw/zinc/74/35/54/519743554.db2.gz RKROIFVGXKNDPC-MRXNPFEDSA-N 0 0 438.915 3.809 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020889241 519744146 /nfs/dbraw/zinc/74/41/46/519744146.db2.gz OEDXCKBNCNIHCO-UHFFFAOYSA-N 0 0 449.532 3.957 50 0 IHAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 ZINC000012545866 519747893 /nfs/dbraw/zinc/74/78/93/519747893.db2.gz RLBOFCBVLFXTET-HNNXBMFYSA-N 0 0 426.492 3.580 50 0 IHAARN CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@H]3C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000035361155 519759568 /nfs/dbraw/zinc/75/95/68/519759568.db2.gz YKXHUDXDHCUGIF-YZMGBISUSA-N 0 0 428.481 3.582 50 0 biogenic IHAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1 ZINC000012382372 519762010 /nfs/dbraw/zinc/76/20/10/519762010.db2.gz SLUMTOOKYCXLDS-MTJSOVHGSA-N 0 0 443.532 3.586 50 0 IHAARN CC(C)[C@@H](NC(=O)CSc1nncn1Cc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000022197021 519797223 /nfs/dbraw/zinc/79/72/23/519797223.db2.gz PRLXEGKOKXRHTH-OAQYLSRUSA-N 0 0 442.541 3.686 50 0 IHAARN CC(C)[C@@](C)(CC(=O)N1CCOCC1)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000012784230 519807800 /nfs/dbraw/zinc/80/78/00/519807800.db2.gz SEXUULRDDDOMFY-RUZDIDTESA-N 0 0 441.499 3.873 50 0 IHAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3F)N2C1=O ZINC000021052705 519828261 /nfs/dbraw/zinc/82/82/61/519828261.db2.gz NGSYFELNOGZUSL-GOSISDBHSA-N 0 0 428.464 3.951 50 0 IHAARN CC(C)c1ccc(NC(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445545 519836964 /nfs/dbraw/zinc/83/69/64/519836964.db2.gz FSSSSGUGHPFDLO-JOCHJYFZSA-N 0 0 448.567 3.856 50 0 IHAARN CCCC(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926009 519865692 /nfs/dbraw/zinc/86/56/92/519865692.db2.gz BVHKQGFBJLAUIX-UHFFFAOYSA-N 0 0 448.571 3.548 50 0 IHAARN CCOCCCNC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021879668 519894569 /nfs/dbraw/zinc/89/45/69/519894569.db2.gz OEZPYLDMAGJDGU-UHFFFAOYSA-N 0 0 432.524 3.643 50 0 IHAARN CCOCCCn1c(SCC(=O)N(C)Cc2ccco2)nc2sc(C)c(C)c2c1=O ZINC000021839778 519900699 /nfs/dbraw/zinc/90/06/99/519900699.db2.gz YNLHFYKPKAWQLT-UHFFFAOYSA-N 0 0 449.598 3.845 50 0 IHAARN CCCCC(=O)Nc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 ZINC000020984463 519915547 /nfs/dbraw/zinc/91/55/47/519915547.db2.gz NFZIBDKOLJEYJT-UHFFFAOYSA-N 0 0 435.600 3.907 50 0 IHAARN CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 ZINC000012509648 520051443 /nfs/dbraw/zinc/05/14/43/520051443.db2.gz MVWHXTLEBCVSDD-UHFFFAOYSA-N 0 0 438.553 3.776 50 0 IHAARN CCCCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000020677679 520084654 /nfs/dbraw/zinc/08/46/54/520084654.db2.gz XXBVMXHJSZLWQS-QFIPXVFZSA-N 0 0 448.585 3.810 50 0 IHAARN CCCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2c1=O ZINC000012998409 520140381 /nfs/dbraw/zinc/14/03/81/520140381.db2.gz YOQUZHVNLACHEE-HNNXBMFYSA-N 0 0 434.496 3.949 50 0 IHAARN CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(N)n3)c(=O)n(-c3cccc(Cl)c3)c2C1 ZINC000012402463 520274424 /nfs/dbraw/zinc/27/44/24/520274424.db2.gz ACXDWQLRUTUSRE-UHFFFAOYSA-N 0 0 436.899 3.876 50 0 IHAARN CCN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012569454 520368627 /nfs/dbraw/zinc/36/86/27/520368627.db2.gz ZPDYVXLDSRGAIB-UHFFFAOYSA-N 0 0 426.520 3.975 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000012062089 520383932 /nfs/dbraw/zinc/38/39/32/520383932.db2.gz QSCGUBZRZASQRK-SFHVURJKSA-N 0 0 434.540 3.824 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350751 520475843 /nfs/dbraw/zinc/47/58/43/520475843.db2.gz TUFDTNIYNAIZPZ-QHCPKHFHSA-N 0 0 445.523 3.780 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 ZINC000012285332 520494581 /nfs/dbraw/zinc/49/45/81/520494581.db2.gz WETQULIKGMIZMG-UHFFFAOYSA-N 0 0 429.365 3.513 50 0 IHAARN CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCC3)NC(=O)N[C@H]1c1cccs1 ZINC000009666636 520522403 /nfs/dbraw/zinc/52/24/03/520522403.db2.gz RKNUUDTUIIWKLF-SFHVURJKSA-N 0 0 446.550 3.717 50 0 IHAARN CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000012697278 520522485 /nfs/dbraw/zinc/52/24/85/520522485.db2.gz YMQYAIHPPSFDDD-YWZLYKJASA-N 0 0 440.521 3.582 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NCCc3ccc(OC)cc3)cc21 ZINC000022504069 520525791 /nfs/dbraw/zinc/52/57/91/520525791.db2.gz AOUBSEHZAROWOQ-UHFFFAOYSA-N 0 0 431.558 3.552 50 0 IHAARN CC1(C)C[C@@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 ZINC000012662040 520529774 /nfs/dbraw/zinc/52/97/74/520529774.db2.gz FFFLGCIQNOKFSM-SFTDATJTSA-N 0 0 448.563 3.853 50 0 biogenic IHAARN CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000016563699 520560238 /nfs/dbraw/zinc/56/02/38/520560238.db2.gz MRZJVXBNXXTGIM-GMAHTHKFSA-N 0 0 438.524 3.617 50 0 IHAARN CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)n2c3ccccc3nc21 ZINC000021005919 520563908 /nfs/dbraw/zinc/56/39/08/520563908.db2.gz QAIXXAAMYVTBGW-FQEVSTJZSA-N 0 0 434.496 3.930 50 0 IHAARN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OC ZINC000012411406 520624966 /nfs/dbraw/zinc/62/49/66/520624966.db2.gz YLUOVOFQNKZEJF-LICLKQGHSA-N 0 0 443.887 3.587 50 0 IHAARN CCC[C@@H](C)[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2C(=O)[O-])CC1 ZINC000021716389 520651080 /nfs/dbraw/zinc/65/10/80/520651080.db2.gz DHMNVSOICDOCQY-QGZVFWFLSA-N 0 0 425.529 3.956 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccc(OC)cc1OC ZINC000036062120 520664804 /nfs/dbraw/zinc/66/48/04/520664804.db2.gz AMGJWRZKDFCFJS-VQTJNVASSA-N 0 0 428.504 3.615 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)cc1 ZINC000077100496 520725476 /nfs/dbraw/zinc/72/54/76/520725476.db2.gz PBJVEHKBRPNEJI-UHFFFAOYSA-N 0 0 444.289 3.634 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Cl ZINC000012688414 520783622 /nfs/dbraw/zinc/78/36/22/520783622.db2.gz IEKWPTQGPBWPIO-UHFFFAOYSA-N 0 0 449.960 3.515 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)ccc1C ZINC000035600906 520785855 /nfs/dbraw/zinc/78/58/55/520785855.db2.gz GUGFCFFOYZJOAD-CVEARBPZSA-N 0 0 449.539 3.627 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)c1ccc(CSc3nccn3C)o1)O[C@@H](C)C2 ZINC000012544397 520792147 /nfs/dbraw/zinc/79/21/47/520792147.db2.gz JSDAVISCFBSJQW-AWEZNQCLSA-N 0 0 427.526 3.958 50 0 IHAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)NCc1ccccc1)CC2 ZINC000021044130 520799783 /nfs/dbraw/zinc/79/97/83/520799783.db2.gz YCQKZLKJKZCAQO-FQEVSTJZSA-N 0 0 426.513 3.856 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 ZINC000012557830 520802205 /nfs/dbraw/zinc/80/22/05/520802205.db2.gz RYDBQATUVZBRDI-UHFFFAOYSA-N 0 0 429.464 3.787 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2cnccn2)c1 ZINC000012787609 520808232 /nfs/dbraw/zinc/80/82/32/520808232.db2.gz KUIXYGFZVVVHAQ-UHFFFAOYSA-N 0 0 440.525 3.860 50 0 IHAARN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1NCC(=O)Nc1cccc(Cl)c1C ZINC000020992581 520842460 /nfs/dbraw/zinc/84/24/60/520842460.db2.gz NNLJWIRYFXKWNC-UHFFFAOYSA-N 0 0 431.945 3.966 50 0 IHAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(CC)cc1 ZINC000020931987 520858487 /nfs/dbraw/zinc/85/84/87/520858487.db2.gz KKEBRRKEKHMJKE-OAQYLSRUSA-N 0 0 440.540 3.757 50 0 IHAARN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccccc1C ZINC000020932442 520900642 /nfs/dbraw/zinc/90/06/42/520900642.db2.gz DKAVOZXEQPJHHN-FQEVSTJZSA-N 0 0 426.513 3.503 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1OCC ZINC000017315531 520919001 /nfs/dbraw/zinc/91/90/01/520919001.db2.gz BGUHTXKKNDVQLS-UHFFFAOYSA-N 0 0 432.542 3.839 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC(C)(C)O4)CC1 ZINC000020413313 520929228 /nfs/dbraw/zinc/92/92/28/520929228.db2.gz FNPQQKPKKIPOMH-HNNXBMFYSA-N 0 0 430.501 3.686 50 0 IHAARN CCOc1ccc(CCC2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 ZINC000022131069 520945115 /nfs/dbraw/zinc/94/51/15/520945115.db2.gz VCTJBMZFSFZQOV-CDNPAEQRSA-N 0 0 438.568 3.596 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)cc1 ZINC000021019878 520953366 /nfs/dbraw/zinc/95/33/66/520953366.db2.gz VMDLYRBZBMCFDQ-UHFFFAOYSA-N 0 0 426.538 3.910 50 0 IHAARN CC1CCN(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000036722692 521026932 /nfs/dbraw/zinc/02/69/32/521026932.db2.gz QHYRFAXLFZZJPY-QFIPXVFZSA-N 0 0 440.613 3.932 50 0 IHAARN CC1CCN(c2nc3ncnc(SCC(=O)Nc4ccc5c(c4)OCO5)c3s2)CC1 ZINC000035533248 521047697 /nfs/dbraw/zinc/04/76/97/521047697.db2.gz YIPVLICOHPZHDW-UHFFFAOYSA-N 0 0 443.554 3.782 50 0 IHAARN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000035924541 521053989 /nfs/dbraw/zinc/05/39/89/521053989.db2.gz ZPXCVJLEZBPYHJ-LLVKDONJSA-N 0 0 430.349 3.987 50 0 IHAARN CCOc1ccc(NC(=O)c2ccccc2NCc2cc(=O)n3nc(CC)sc3n2)cc1 ZINC000012523073 521119724 /nfs/dbraw/zinc/11/97/24/521119724.db2.gz SOAZBODJDJZJMD-UHFFFAOYSA-N 0 0 449.536 3.977 50 0 IHAARN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000012314559 521180882 /nfs/dbraw/zinc/18/08/82/521180882.db2.gz QQKMDFLVNODHOI-HSZRJFAPSA-N 0 0 429.538 3.938 50 0 IHAARN CCOC(=O)[C@H](C)OC(=O)c1cnn2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000021788941 521215689 /nfs/dbraw/zinc/21/56/89/521215689.db2.gz CDGCXAYUAMFQNV-NSHDSACASA-N 0 0 437.374 3.532 50 0 IHAARN CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000020609074 521350287 /nfs/dbraw/zinc/35/02/87/521350287.db2.gz NIAMLEXJVLIFMG-SFHVURJKSA-N 0 0 432.801 3.820 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000035989765 521361459 /nfs/dbraw/zinc/36/14/59/521361459.db2.gz QWKNOLUSXZXNKU-UHFFFAOYSA-N 0 0 434.558 3.646 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2cccc(OC)c2)c1C ZINC000036002271 521363252 /nfs/dbraw/zinc/36/32/52/521363252.db2.gz QCLBUAKHJGTBSH-UHFFFAOYSA-N 0 0 449.507 3.737 50 0 IHAARN CCCCn1c(N)c(N(C(=O)Cc2cccc3ccccc32)C2CCCC2)c(=O)[nH]c1=O ZINC000012759561 521364086 /nfs/dbraw/zinc/36/40/86/521364086.db2.gz UGIPKDQWLQBCCZ-UHFFFAOYSA-N 0 0 434.540 3.590 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2CCOC)c1C ZINC000024752329 521378493 /nfs/dbraw/zinc/37/84/93/521378493.db2.gz DCHRWNIODODRKS-UHFFFAOYSA-N 0 0 442.541 3.688 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(CCCOC)C(=O)c2cccc(F)c2)c(C)n1CC ZINC000036000658 521386616 /nfs/dbraw/zinc/38/66/16/521386616.db2.gz UVZIGAPNVFUJRU-UHFFFAOYSA-N 0 0 446.519 3.802 50 0 IHAARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](Sc3ccc(N)cc3)C1=O)CCCC2 ZINC000022867772 521414637 /nfs/dbraw/zinc/41/46/37/521414637.db2.gz SCUADVGTPFTXHR-MRXNPFEDSA-N 0 0 430.551 3.810 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000021739234 521458787 /nfs/dbraw/zinc/45/87/87/521458787.db2.gz SQUVCEMNHGETJM-IRXDYDNUSA-N 0 0 426.513 3.899 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)nc1 ZINC000012849692 521486493 /nfs/dbraw/zinc/48/64/93/521486493.db2.gz LIMMJDWXTYBYEW-UHFFFAOYSA-N 0 0 427.570 3.941 50 0 IHAARN CCOc1ccccc1CNC(=O)CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000035404658 521492939 /nfs/dbraw/zinc/49/29/39/521492939.db2.gz ILYXINOIKXJASV-UHFFFAOYSA-N 0 0 434.515 3.816 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033088654 521513883 /nfs/dbraw/zinc/51/38/83/521513883.db2.gz UHYUZAQYAMQKEX-UHFFFAOYSA-N 0 0 436.489 3.921 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ccc(S(=O)(=O)c2cccc(F)c2)nn1 ZINC000033298351 521531261 /nfs/dbraw/zinc/53/12/61/521531261.db2.gz LSJUJYPVLYTLEL-UHFFFAOYSA-N 0 0 447.513 3.578 50 0 IHAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(Br)c(C)c1 ZINC000012767286 521540396 /nfs/dbraw/zinc/54/03/96/521540396.db2.gz FAIWPXHCRPNODE-NRFANRHFSA-N 0 0 442.313 3.695 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000035925401 521542083 /nfs/dbraw/zinc/54/20/83/521542083.db2.gz CXZGFIQAEJORDD-UHFFFAOYSA-N 0 0 432.553 3.792 50 0 IHAARN CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000021600677 521564553 /nfs/dbraw/zinc/56/45/53/521564553.db2.gz WMEKLFBIOUIIAG-GOSISDBHSA-N 0 0 426.513 3.792 50 0 IHAARN CCOC(CCn1c(=O)c2ccccc2nc1SCC(=O)NC1CCCCC1)OCC ZINC000020644272 521630939 /nfs/dbraw/zinc/63/09/39/521630939.db2.gz QZGXINSFVLGDRI-UHFFFAOYSA-N 0 0 447.601 3.727 50 0 IHAARN CCCn1cnc2nc(COc3cc(NC(=O)c4ccc(C)cc4)ccc3C)cc(=O)n21 ZINC000021797200 521663535 /nfs/dbraw/zinc/66/35/35/521663535.db2.gz BZHRCCGPDOIUAK-UHFFFAOYSA-N 0 0 431.496 3.749 50 0 IHAARN CCS(=O)(=O)c1ccccc1C(=O)N(CCN(C)C)c1nc2c(cccc2C)s1 ZINC000012342336 521692991 /nfs/dbraw/zinc/69/29/91/521692991.db2.gz QPYDZVNJDXRJHH-UHFFFAOYSA-N 0 0 431.583 3.607 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928204 521703415 /nfs/dbraw/zinc/70/34/15/521703415.db2.gz ZLWKNLVYAMCPRJ-YADHBBJMSA-N 0 0 438.524 3.682 50 0 IHAARN CCN1CCc2c(sc3nc(C4CCCCC4)nc(N4CCN(C(C)=O)CC4)c23)C1 ZINC000035868011 521724927 /nfs/dbraw/zinc/72/49/27/521724927.db2.gz WSNXUARBESMISP-UHFFFAOYSA-N 0 0 427.618 3.786 50 0 IHAARN CCN1C[C@@H](CN(C)Cn2nc(Cc3cccs3)n(C)c2=S)Oc2ccccc21 ZINC000012544077 521727429 /nfs/dbraw/zinc/72/74/29/521727429.db2.gz HNEFJRNQACCBGA-MRXNPFEDSA-N 0 0 429.615 3.780 50 0 IHAARN CCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012935475 521738056 /nfs/dbraw/zinc/73/80/56/521738056.db2.gz INRRHYMWCIRDQR-UHFFFAOYSA-N 0 0 447.926 3.666 50 0 IHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035948891 521739363 /nfs/dbraw/zinc/73/93/63/521739363.db2.gz OOBKDPZISMMGMP-GOSISDBHSA-N 0 0 448.976 3.757 50 0 IHAARN CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000021397235 521741211 /nfs/dbraw/zinc/74/12/11/521741211.db2.gz DCNBNNCDDJQQMI-UHFFFAOYSA-N 0 0 429.933 3.834 50 0 IHAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2cccc(F)c2)c(C)n1C ZINC000036006327 521751574 /nfs/dbraw/zinc/75/15/74/521751574.db2.gz ROOYHUKFMZVPKL-UHFFFAOYSA-N 0 0 426.444 3.686 50 0 IHAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012738528 521809079 /nfs/dbraw/zinc/80/90/79/521809079.db2.gz NCOKSPRHBNNAME-UHFFFAOYSA-N 0 0 438.549 3.909 50 0 IHAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000012522641 521809461 /nfs/dbraw/zinc/80/94/61/521809461.db2.gz MZLBUOORQHZBHN-UHFFFAOYSA-N 0 0 449.532 3.887 50 0 IHAARN CNC(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012769399 521835760 /nfs/dbraw/zinc/83/57/60/521835760.db2.gz AUGKOFZGGIVDAX-UHFFFAOYSA-N 0 0 444.413 3.689 50 0 IHAARN COc1c(F)cc2c(=O)c(C(=O)NCCc3c[nH]c4ccccc34)cn(CCF)c2c1F ZINC000020726730 521859121 /nfs/dbraw/zinc/85/91/21/521859121.db2.gz HQCWQFXSXSUJLY-UHFFFAOYSA-N 0 0 443.425 3.712 50 0 IHAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccco3)no2)cc(OC)c1OC ZINC000036012594 521896504 /nfs/dbraw/zinc/89/65/04/521896504.db2.gz FQWHJTDDBPJAOT-QGZVFWFLSA-N 0 0 442.468 3.782 50 0 IHAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2SC(F)F)cc(C(=O)OC)c1 ZINC000012259859 521901697 /nfs/dbraw/zinc/90/16/97/521901697.db2.gz RVOUUOJUNKEXQI-UHFFFAOYSA-N 0 0 425.409 3.592 50 0 IHAARN COc1cc(-c2ncc(C(=O)NCC(C)C)c(N3CCCCC3)n2)cc(OC)c1OC ZINC000035987869 521906397 /nfs/dbraw/zinc/90/63/97/521906397.db2.gz OHOFDXKWKVMIRD-UHFFFAOYSA-N 0 0 428.533 3.546 50 0 IHAARN CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000012814547 521906826 /nfs/dbraw/zinc/90/68/26/521906826.db2.gz ACKZOMBIZNBBLW-QGZVFWFLSA-N 0 0 438.553 3.791 50 0 IHAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3csc(C)n3)o2)n1 ZINC000012549258 521914240 /nfs/dbraw/zinc/91/42/40/521914240.db2.gz LUCLKIAELAIUTE-UHFFFAOYSA-N 0 0 440.558 3.791 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC(C)C ZINC000012889015 521969602 /nfs/dbraw/zinc/96/96/02/521969602.db2.gz RCLHISSQUHDLQE-RTNRFSENSA-N 0 0 445.629 3.728 50 0 biogenic IHAARN CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026605 521987897 /nfs/dbraw/zinc/98/78/97/521987897.db2.gz MXQBCKUJBOYVBA-AUSIDOKSSA-N 0 0 437.559 3.847 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000024244951 521997738 /nfs/dbraw/zinc/99/77/38/521997738.db2.gz ULWWUPMWMGZAAE-UHFFFAOYSA-N 0 0 444.745 3.665 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000035586255 522094573 /nfs/dbraw/zinc/09/45/73/522094573.db2.gz NCOBBZVADWNDFE-UHFFFAOYSA-N 0 0 433.873 3.819 50 0 IHAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)CC)c1)C(=O)c1ccc(OC)cc1OC ZINC000035770079 522098868 /nfs/dbraw/zinc/09/88/68/522098868.db2.gz NMMJXQIQRIBIGP-MRXNPFEDSA-N 0 0 435.542 3.873 50 0 IHAARN CC[C@@H](C)N1C(=O)c2c(NC(C)=O)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021866453 522108571 /nfs/dbraw/zinc/10/85/71/522108571.db2.gz UAKCJZTYHZPSKA-JBEBIEQOSA-N 0 0 442.535 3.811 50 0 IHAARN COC(=O)c1cccc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1 ZINC000021276746 522217501 /nfs/dbraw/zinc/21/75/01/522217501.db2.gz CLEATGZOSXQEHT-UHFFFAOYSA-N 0 0 426.494 3.636 50 0 IHAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000012550982 522229924 /nfs/dbraw/zinc/22/99/24/522229924.db2.gz WEBFCNDHZMJKBE-SJLPKXTDSA-N 0 0 440.569 3.660 50 0 IHAARN CN(C)c1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)c1 ZINC000035460009 522255895 /nfs/dbraw/zinc/25/58/95/522255895.db2.gz WJBLKTXDXHEGIU-UHFFFAOYSA-N 0 0 430.512 3.832 50 0 IHAARN COC(=O)c1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021650577 522277686 /nfs/dbraw/zinc/27/76/86/522277686.db2.gz MWEFSVSWWWAXDL-UHFFFAOYSA-N 0 0 447.470 3.767 50 0 IHAARN COC(=O)c1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn21 ZINC000035622415 522283809 /nfs/dbraw/zinc/28/38/09/522283809.db2.gz RCOSOMHTUBDWCZ-UHFFFAOYSA-N 0 0 429.480 3.763 50 0 IHAARN COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@@]32O)cc(OC)c1OC ZINC000012322850 522364916 /nfs/dbraw/zinc/36/49/16/522364916.db2.gz ICHRZXLXOHGBFZ-AUSIDOKSSA-N 0 0 434.602 3.984 50 0 IHAARN COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@]32O)cc(OC)c1OC ZINC000012322851 522365919 /nfs/dbraw/zinc/36/59/19/522365919.db2.gz ICHRZXLXOHGBFZ-CVDCTZTESA-N 0 0 434.602 3.984 50 0 IHAARN COc1cc(CNC(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)cc(OC)c1 ZINC000012035451 522426730 /nfs/dbraw/zinc/42/67/30/522426730.db2.gz BQKQESVJNTVUSQ-LJQANCHMSA-N 0 0 434.540 3.797 50 0 IHAARN CN(CC(=O)NC(C)(C)C)Cn1nc(Nc2cccc(Br)c2)sc1=S ZINC000012551137 522461737 /nfs/dbraw/zinc/46/17/37/522461737.db2.gz FHYYMHVEBDPINU-UHFFFAOYSA-N 0 0 444.424 3.984 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NCCNC(=O)c2ccccc2F)n1 ZINC000036025942 522468103 /nfs/dbraw/zinc/46/81/03/522468103.db2.gz AVXYGRHDFAIDRC-UHFFFAOYSA-N 0 0 432.503 3.976 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000035990662 522468236 /nfs/dbraw/zinc/46/82/36/522468236.db2.gz BSKVZQNONJKBNP-UHFFFAOYSA-N 0 0 426.952 3.726 50 0 IHAARN CCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000035990636 522468704 /nfs/dbraw/zinc/46/87/04/522468704.db2.gz UPTVHGDWEVYNFP-UHFFFAOYSA-N 0 0 426.524 3.649 50 0 IHAARN COc1cc(COC(=O)CCN2C(=O)c3ccccc3C2=O)cc(Cl)c1OC(F)F ZINC000012896673 522498960 /nfs/dbraw/zinc/49/89/60/522498960.db2.gz HVOMKPCSXYTSNX-UHFFFAOYSA-N 0 0 439.798 3.680 50 0 IHAARN CN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012767841 522508050 /nfs/dbraw/zinc/50/80/50/522508050.db2.gz VUYYAPIGMCKSIG-UHFFFAOYSA-N 0 0 438.311 3.664 50 0 IHAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CCOC)C(=O)COC ZINC000035975811 522642664 /nfs/dbraw/zinc/64/26/64/522642664.db2.gz XCNUCSLWZBXWFH-UHFFFAOYSA-N 0 0 441.503 3.988 50 0 IHAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCc1cccnc1 ZINC000020919804 522646904 /nfs/dbraw/zinc/64/69/04/522646904.db2.gz WEFJOKHSVRNQIX-UHFFFAOYSA-N 0 0 433.917 3.607 50 0 IHAARN COc1cc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc(OC)c1OC ZINC000012863581 522650147 /nfs/dbraw/zinc/65/01/47/522650147.db2.gz VZWYDYAZCVNPAO-UHFFFAOYSA-N 0 0 432.904 3.857 50 0 IHAARN COc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(OC)cc1Cl ZINC000012741286 522658510 /nfs/dbraw/zinc/65/85/10/522658510.db2.gz LLWOIAQDPQDWII-UHFFFAOYSA-N 0 0 431.920 3.646 50 0 IHAARN COc1cc(NC(=O)c2ccco2)c(C(=O)NCCn2c(C)nc3ccccc32)cc1OC ZINC000012628400 522727969 /nfs/dbraw/zinc/72/79/69/522727969.db2.gz RTBSSXTXIJVLJS-UHFFFAOYSA-N 0 0 448.479 3.637 50 0 IHAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nncs1 ZINC000018975482 522728881 /nfs/dbraw/zinc/72/88/81/522728881.db2.gz DTBVPCGTOLZSSO-UHFFFAOYSA-N 0 0 430.511 3.538 50 0 IHAARN CCc1nnc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)s1 ZINC000021289156 522773827 /nfs/dbraw/zinc/77/38/27/522773827.db2.gz INUYZVINRTXYTC-OAHLLOKOSA-N 0 0 425.539 3.623 50 0 IHAARN COc1cc(OC)cc(C(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C(C)C)c1 ZINC000012654515 522845215 /nfs/dbraw/zinc/84/52/15/522845215.db2.gz DLOJBZUGRFXZLW-UHFFFAOYSA-N 0 0 441.484 3.822 50 0 IHAARN COc1cc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044504 522926971 /nfs/dbraw/zinc/92/69/71/522926971.db2.gz CHRQJKCGFWXSKW-OALUTQOASA-N 0 0 446.588 3.703 50 0 IHAARN COC(=O)CCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022647942 522940542 /nfs/dbraw/zinc/94/05/42/522940542.db2.gz WUMTVPJJELAGTI-QFIPXVFZSA-N 0 0 445.357 3.636 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc(OC)c1O ZINC000021177309 522960489 /nfs/dbraw/zinc/96/04/89/522960489.db2.gz GWJQCUCVRIAUHQ-CYBMUJFWSA-N 0 0 436.493 3.987 50 0 IHAARN COc1cc([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044381 522960837 /nfs/dbraw/zinc/96/08/37/522960837.db2.gz PIWVBKURXVLLKL-WOJBJXKFSA-N 0 0 446.588 3.607 50 0 IHAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1O ZINC000020892729 522969080 /nfs/dbraw/zinc/96/90/80/522969080.db2.gz VEYDERVSBIGCMY-OAQYLSRUSA-N 0 0 425.510 3.987 50 0 IHAARN COc1cc([C@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000012344900 522970774 /nfs/dbraw/zinc/97/07/74/522970774.db2.gz ZCCHYFYKDKRFPX-QHCPKHFHSA-N 0 0 435.524 3.871 50 0 IHAARN CC[C@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC ZINC000012279505 523017951 /nfs/dbraw/zinc/01/79/51/523017951.db2.gz LYMOFICFGSMMEF-KRWDZBQOSA-N 0 0 435.528 3.889 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000035808541 523038185 /nfs/dbraw/zinc/03/81/85/523038185.db2.gz ATTOXUAMESEZOQ-FZKQIMNGSA-N 0 0 448.441 3.974 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 ZINC000035392646 523051633 /nfs/dbraw/zinc/05/16/33/523051633.db2.gz PYOFGPRWPQTLNV-VWLOTQADSA-N 0 0 445.519 4.000 50 0 IHAARN COCCCC1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000012297588 523087111 /nfs/dbraw/zinc/08/71/11/523087111.db2.gz NTGVVNFZDPODHF-UHFFFAOYSA-N 0 0 428.573 3.745 50 0 IHAARN COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(NC(C)=O)cc4)nn32)cc1OC ZINC000021660214 523139104 /nfs/dbraw/zinc/13/91/04/523139104.db2.gz YOZCNVKOFQHRBA-UHFFFAOYSA-N 0 0 431.452 3.624 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000024663039 523147960 /nfs/dbraw/zinc/14/79/60/523147960.db2.gz QIPFMQKXARLQPZ-KRWDZBQOSA-N 0 0 432.505 3.908 50 0 IHAARN COc1ccc(-c2csc(CN3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000021687787 523163988 /nfs/dbraw/zinc/16/39/88/523163988.db2.gz LGVJSJJXXWXBRM-UHFFFAOYSA-N 0 0 425.529 3.845 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1Cl ZINC000012775275 523171208 /nfs/dbraw/zinc/17/12/08/523171208.db2.gz LGFZGNAFMASOJQ-UHFFFAOYSA-N 0 0 427.869 3.950 50 0 IHAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000012678642 523192908 /nfs/dbraw/zinc/19/29/08/523192908.db2.gz FCKHOOUVZPNUSM-UHFFFAOYSA-N 0 0 449.326 3.629 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012854710 523195768 /nfs/dbraw/zinc/19/57/68/523195768.db2.gz CWFVPJKGTNPBHR-UHFFFAOYSA-N 0 0 439.942 3.824 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccccn5)no4)c3C)c(C)o2)cc1 ZINC000033296933 523219696 /nfs/dbraw/zinc/21/96/96/523219696.db2.gz WUMNVHRKKOIONL-UHFFFAOYSA-N 0 0 429.440 3.719 50 0 IHAARN COc1ccc(-c2nc(N3CCOCC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1 ZINC000035929285 523221050 /nfs/dbraw/zinc/22/10/50/523221050.db2.gz YPBPQKURBVFCEX-UHFFFAOYSA-N 0 0 436.903 3.563 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1c(C)nc2sccn21 ZINC000023141486 523221681 /nfs/dbraw/zinc/22/16/81/523221681.db2.gz FANSCMADASOZMD-UHFFFAOYSA-N 0 0 430.534 3.530 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc4nsnc42)CC3)cc1 ZINC000021534054 523226245 /nfs/dbraw/zinc/22/62/45/523226245.db2.gz SSQLEWWLEXTOPJ-UHFFFAOYSA-N 0 0 444.563 3.570 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)o2)c(OC)c1 ZINC000012856823 523264427 /nfs/dbraw/zinc/26/44/27/523264427.db2.gz YEMPLFIKKLNZGH-GFCCVEGCSA-N 0 0 442.497 3.832 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc(F)cc1 ZINC000018064689 523270093 /nfs/dbraw/zinc/27/00/93/523270093.db2.gz OJULOADDCDSIMO-AQTBWJFISA-N 0 0 449.935 3.953 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000022311451 523272877 /nfs/dbraw/zinc/27/28/77/523272877.db2.gz WXTRTRBFSCWLAH-UHFFFAOYSA-N 0 0 437.415 3.691 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21 ZINC000012527280 523278313 /nfs/dbraw/zinc/27/83/13/523278313.db2.gz VZVNSFQVZHEROX-AWEZNQCLSA-N 0 0 440.525 3.725 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)cc1OC ZINC000012654632 523285476 /nfs/dbraw/zinc/28/54/76/523285476.db2.gz ZBKDBDGXRBEOOR-CYBMUJFWSA-N 0 0 431.876 3.833 50 0 IHAARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000012520487 523289706 /nfs/dbraw/zinc/28/97/06/523289706.db2.gz VMURORZUODQJNB-HNNXBMFYSA-N 0 0 446.598 3.734 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1OC ZINC000020847939 523298814 /nfs/dbraw/zinc/29/88/14/523298814.db2.gz QXNWRZNXNBHVDV-UHFFFAOYSA-N 0 0 428.533 3.809 50 0 IHAARN COc1ccc(-n2c(=O)n(Cc3nc(-c4cccs4)oc3C)c(=O)c3cccnc32)cc1 ZINC000021356415 523311161 /nfs/dbraw/zinc/31/11/61/523311161.db2.gz MJHNDSLODADCLY-UHFFFAOYSA-N 0 0 446.488 3.629 50 0 IHAARN COCCCNC(=O)CN(C)c1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000012735266 523320041 /nfs/dbraw/zinc/32/00/41/523320041.db2.gz VGCCXJLFNQCPJK-UHFFFAOYSA-N 0 0 449.374 3.710 50 0 IHAARN COc1ccc(-n2cnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)cc1 ZINC000012514675 523340569 /nfs/dbraw/zinc/34/05/69/523340569.db2.gz CKVDWPSAJVLXDP-LJQANCHMSA-N 0 0 430.530 3.781 50 0 IHAARN CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 ZINC000012527369 523373339 /nfs/dbraw/zinc/37/33/39/523373339.db2.gz VKJDTCDKHRBOJG-QGZVFWFLSA-N 0 0 441.597 3.810 50 0 IHAARN COC(=O)Cn1c(CCS(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000022242080 523389456 /nfs/dbraw/zinc/38/94/56/523389456.db2.gz UCRDGKXJUBOYHV-UHFFFAOYSA-N 0 0 427.309 3.533 50 0 IHAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001120809 523508629 /nfs/dbraw/zinc/50/86/29/523508629.db2.gz JMCTYTNOIDGMPG-UHFFFAOYSA-N 0 0 445.766 3.622 50 0 IHAARN COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000020995215 523580994 /nfs/dbraw/zinc/58/09/94/523580994.db2.gz VSRBRCBCRVBSLC-KRWDZBQOSA-N 0 0 435.446 3.857 50 0 IHAARN CO[C@@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 ZINC000012456428 523585610 /nfs/dbraw/zinc/58/56/10/523585610.db2.gz SLEBBLOPUACUHD-KCWPFWIISA-N 0 0 446.547 3.540 50 0 IHAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C(C)(C)C)cc1 ZINC000035766775 523610649 /nfs/dbraw/zinc/61/06/49/523610649.db2.gz PPNPPTODCZMMGC-NRFANRHFSA-N 0 0 428.529 3.737 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1)C(=O)C(C)C ZINC000035946502 523650664 /nfs/dbraw/zinc/65/06/64/523650664.db2.gz CZKPWEZKUNTFMY-HSZRJFAPSA-N 0 0 439.531 3.943 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(Cl)cc1)C(C)=O ZINC000035962143 523651206 /nfs/dbraw/zinc/65/12/06/523651206.db2.gz KBLKYUUSCCTQHF-JOCHJYFZSA-N 0 0 443.931 3.521 50 0 IHAARN CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020602681 523727948 /nfs/dbraw/zinc/72/79/48/523727948.db2.gz BLFKZXMDXSRXGQ-UHFFFAOYSA-N 0 0 443.569 3.662 50 0 IHAARN COCCN(Cc1cc(-c2cc(OC)ccc2OC)on1)C(=O)c1ccc(OC)cc1 ZINC000036011840 523740073 /nfs/dbraw/zinc/74/00/73/523740073.db2.gz PIRRYNQSGJPMLR-UHFFFAOYSA-N 0 0 426.469 3.656 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)nc2)cc1 ZINC000034667640 523750765 /nfs/dbraw/zinc/75/07/65/523750765.db2.gz ZSGZIEKMTXHROF-UHFFFAOYSA-N 0 0 430.508 3.613 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1OC ZINC000021794467 523753128 /nfs/dbraw/zinc/75/31/28/523753128.db2.gz GIUKAGRUUWOVMC-UHFFFAOYSA-N 0 0 449.511 3.635 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(OC)cc3OC)cs2)cc1 ZINC000015881014 523762180 /nfs/dbraw/zinc/76/21/80/523762180.db2.gz VTVGTDAPVQYXPW-UHFFFAOYSA-N 0 0 427.482 3.602 50 0 IHAARN CC[C@H](C(=O)Nc1cc2sc(NC(C)=O)nc2c(C)c1)N1C(=O)COc2ccccc21 ZINC000021533795 523797614 /nfs/dbraw/zinc/79/76/14/523797614.db2.gz RTOBPWQPECGKQA-OAHLLOKOSA-N 0 0 438.509 3.706 50 0 IHAARN COc1ccc(C)cc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012915549 523808359 /nfs/dbraw/zinc/80/83/59/523808359.db2.gz RIFNJNOKRVTEOE-UHFFFAOYSA-N 0 0 433.434 3.674 50 0 IHAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCOC)C3=O)s1 ZINC000021809898 523846349 /nfs/dbraw/zinc/84/63/49/523846349.db2.gz TZQUJQKFJVSGHA-HSZRJFAPSA-N 0 0 431.602 3.965 50 0 IHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000012906266 523853700 /nfs/dbraw/zinc/85/37/00/523853700.db2.gz SQLAJOYKOMHGMG-FOIQADDNSA-N 0 0 438.977 3.837 50 0 IHAARN COc1ccc(C2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)O2)c(Br)c1 ZINC000020616069 523873723 /nfs/dbraw/zinc/87/37/23/523873723.db2.gz COBXCDGWONJDMU-CHHVJCJISA-N 0 0 448.269 3.828 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000035960424 523874965 /nfs/dbraw/zinc/87/49/65/523874965.db2.gz JWLDQEVVUCJWGY-HSZRJFAPSA-N 0 0 435.524 3.640 50 0 IHAARN COCCN1CCn2c(nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc32)C1 ZINC000021782608 523877062 /nfs/dbraw/zinc/87/70/62/523877062.db2.gz MVLSADFMEJMMKN-UHFFFAOYSA-N 0 0 436.556 3.948 50 0 IHAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1OC ZINC000015971787 523880703 /nfs/dbraw/zinc/88/07/03/523880703.db2.gz OKJZJSRGAFIJLG-OFVILXPXSA-N 0 0 428.444 3.785 50 0 IHAARN COCCNC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000020986197 523890073 /nfs/dbraw/zinc/89/00/73/523890073.db2.gz SANUKBHCPYQEFQ-UHFFFAOYSA-N 0 0 425.554 3.615 50 0 IHAARN COC(=O)[C@H](CCSC)NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl ZINC000041156282 523900922 /nfs/dbraw/zinc/90/09/22/523900922.db2.gz KUATXZYFPXVLPL-HNNXBMFYSA-N 0 0 439.990 3.755 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)S2(=O)=O)cc1 ZINC000035504323 523902074 /nfs/dbraw/zinc/90/20/74/523902074.db2.gz PLIJSMSVLBFCOB-UHFFFAOYSA-N 0 0 426.538 3.716 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3cc(Cl)ccc3C)S2(=O)=O)cc1 ZINC000035534705 523902078 /nfs/dbraw/zinc/90/20/78/523902078.db2.gz KISGYJJHCYBASU-UHFFFAOYSA-N 0 0 432.929 3.753 50 0 IHAARN COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000012128830 523906942 /nfs/dbraw/zinc/90/69/42/523906942.db2.gz MTWJHBCLGXKIEG-UHFFFAOYSA-N 0 0 441.491 3.690 50 0 IHAARN CCc1ccc(Cn2nccc2NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000022281450 523955069 /nfs/dbraw/zinc/95/50/69/523955069.db2.gz SEASPCHHPRBHCP-UHFFFAOYSA-N 0 0 446.598 3.595 50 0 IHAARN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000012279768 523957057 /nfs/dbraw/zinc/95/70/57/523957057.db2.gz OZDGTPMQKPEYSJ-HSZRJFAPSA-N 0 0 449.576 3.617 50 0 IHAARN CCc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581525 523962846 /nfs/dbraw/zinc/96/28/46/523962846.db2.gz ZPUATEUBZLICQA-MOPGFXCFSA-N 0 0 438.471 3.876 50 0 IHAARN CCc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000020556802 523974929 /nfs/dbraw/zinc/97/49/29/523974929.db2.gz YTYIGYIGZAKHMU-KBPBESRZSA-N 0 0 432.567 3.873 50 0 IHAARN CC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 ZINC000035911581 523977213 /nfs/dbraw/zinc/97/72/13/523977213.db2.gz BJKLARIRVGFELA-HNNXBMFYSA-N 0 0 449.580 3.991 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2cccc(OC)c2)c1C ZINC000036003490 524023268 /nfs/dbraw/zinc/02/32/68/524023268.db2.gz JVJPQJXICNDATN-INIZCTEOSA-N 0 0 438.480 3.934 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000033006478 524053108 /nfs/dbraw/zinc/05/31/08/524053108.db2.gz VYFAQQAUUNRIRY-UHFFFAOYSA-N 0 0 445.544 3.862 50 0 IHAARN COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)cc1 ZINC000035127762 524056326 /nfs/dbraw/zinc/05/63/26/524056326.db2.gz GJZJGVZMORNEQZ-XFXZXTDPSA-N 0 0 448.548 3.607 50 0 IHAARN COc1ccc(CNC(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 ZINC000035596984 524057559 /nfs/dbraw/zinc/05/75/59/524057559.db2.gz CWSNJIYJYRBOFH-QGZVFWFLSA-N 0 0 436.468 3.563 50 0 IHAARN CNC(=O)Cc1csc(NC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)n1 ZINC000035598352 524075869 /nfs/dbraw/zinc/07/58/69/524075869.db2.gz OXUCYOYYSVVOLF-UHFFFAOYSA-N 0 0 432.505 3.811 50 0 IHAARN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)c(F)c1 ZINC000012764471 524092075 /nfs/dbraw/zinc/09/20/75/524092075.db2.gz XTVQVKAQEWMKAE-NSHDSACASA-N 0 0 427.373 3.789 50 0 IHAARN Cc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)ncn2)c1 ZINC000035483141 524106899 /nfs/dbraw/zinc/10/68/99/524106899.db2.gz SINIVFXGBXZTQG-UHFFFAOYSA-N 0 0 446.935 3.755 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000012752451 524125964 /nfs/dbraw/zinc/12/59/64/524125964.db2.gz VEQNZDNZJKJCFS-HNNXBMFYSA-N 0 0 442.614 3.869 50 0 IHAARN COc1cccc([C@H](C)N(C)C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1 ZINC000012191890 524148070 /nfs/dbraw/zinc/14/80/70/524148070.db2.gz IZSQRMQQOJGBIM-INIZCTEOSA-N 0 0 439.512 3.838 50 0 IHAARN COc1cccc([C@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054390 524180281 /nfs/dbraw/zinc/18/02/81/524180281.db2.gz LKUMHUIHKRHRLC-NHCUHLMSSA-N 0 0 442.531 3.747 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC000012430213 524222019 /nfs/dbraw/zinc/22/20/19/524222019.db2.gz BAJLNNAIZCWNEP-KRWDZBQOSA-N 0 0 432.952 3.819 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCn2ccnc2C)C1 ZINC000012445777 524222920 /nfs/dbraw/zinc/22/29/20/524222920.db2.gz PWUAFKUVKLHFPN-KRWDZBQOSA-N 0 0 432.952 3.901 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C ZINC000035947812 524230523 /nfs/dbraw/zinc/23/05/23/524230523.db2.gz LBZBUYAOLHIVMM-OAQYLSRUSA-N 0 0 433.508 3.578 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000012237753 524231864 /nfs/dbraw/zinc/23/18/64/524231864.db2.gz PRGCBKUBOSQNJJ-UHFFFAOYSA-N 0 0 444.278 3.536 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012999564 524241688 /nfs/dbraw/zinc/24/16/88/524241688.db2.gz MAPLJAVQSGZWLB-QGZVFWFLSA-N 0 0 434.989 3.878 50 0 IHAARN C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009665132 524262945 /nfs/dbraw/zinc/26/29/45/524262945.db2.gz KSYLDVHBTFICBC-INIZCTEOSA-N 0 0 435.524 3.582 50 0 IHAARN COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NC4CCCCC4)c3c2=O)cc1 ZINC000016953782 524263478 /nfs/dbraw/zinc/26/34/78/524263478.db2.gz XQPPJHNTEAGMRX-UHFFFAOYSA-N 0 0 444.535 3.857 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000012927018 524275813 /nfs/dbraw/zinc/27/58/13/524275813.db2.gz GYLSXNAKSGPLEL-UHFFFAOYSA-N 0 0 448.336 3.602 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccc3c(c2)OCCO3)ccc1=O ZINC000021785824 524278728 /nfs/dbraw/zinc/27/87/28/524278728.db2.gz HWBFMBTXJBBHSL-ZDUSSCGKSA-N 0 0 445.397 3.900 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(C)c1 ZINC000012763729 524280376 /nfs/dbraw/zinc/28/03/76/524280376.db2.gz NVIKUNVRPFOPCA-UHFFFAOYSA-N 0 0 435.568 3.870 50 0 IHAARN Cc1cc(C)c(OCC(=O)N2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1 ZINC000001100553 524306996 /nfs/dbraw/zinc/30/69/96/524306996.db2.gz OSUJGRCBOJDULN-UHFFFAOYSA-N 0 0 438.568 3.666 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000023907603 524317902 /nfs/dbraw/zinc/31/79/02/524317902.db2.gz HMJRBNBCGVIFPH-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000012800288 524345532 /nfs/dbraw/zinc/34/55/32/524345532.db2.gz FHUBLTTYKWSSSJ-UHFFFAOYSA-N 0 0 448.298 3.556 50 0 IHAARN COc1ccccc1C(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1C ZINC000041089570 524356102 /nfs/dbraw/zinc/35/61/02/524356102.db2.gz ULNLBFHCOHBZKO-UHFFFAOYSA-N 0 0 447.447 3.522 50 0 IHAARN COc1ccccc1C(=O)Nc1ccc(C)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 ZINC000021797182 524357012 /nfs/dbraw/zinc/35/70/12/524357012.db2.gz GDSDABWSXQVVLC-UHFFFAOYSA-N 0 0 447.495 3.620 50 0 IHAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)C1 ZINC000020602006 524374098 /nfs/dbraw/zinc/37/40/98/524374098.db2.gz KTZBKXZQOOEOCK-GOSISDBHSA-N 0 0 446.294 3.774 50 0 IHAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([C@@H](C)O)c4ccccc4C3c3ccccc32)cc1 ZINC000012383203 524397819 /nfs/dbraw/zinc/39/78/19/524397819.db2.gz HIQQVVDOGSFVSV-XLGDECSMSA-N 0 0 425.484 3.627 50 0 IHAARN COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)C2CC2)C1 ZINC000034755231 524418174 /nfs/dbraw/zinc/41/81/74/524418174.db2.gz GEYNJRIAZOTKOQ-YADHBBJMSA-N 0 0 438.543 3.844 50 0 IHAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000035887762 524472095 /nfs/dbraw/zinc/47/20/95/524472095.db2.gz QTYFZZHVYMUNHR-UHFFFAOYSA-N 0 0 430.552 3.720 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1Cl ZINC000012704385 524482239 /nfs/dbraw/zinc/48/22/39/524482239.db2.gz JNUAFFSKZHGZNW-INIZCTEOSA-N 0 0 430.936 3.729 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)cc1 ZINC000016954071 524509407 /nfs/dbraw/zinc/50/94/07/524509407.db2.gz LKZLDGSBMXTSDR-UHFFFAOYSA-N 0 0 439.562 3.679 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccncc2)cc1 ZINC000018195007 524521765 /nfs/dbraw/zinc/52/17/65/524521765.db2.gz ZTTADAMYZSFYAZ-NRFANRHFSA-N 0 0 446.532 3.621 50 0 IHAARN COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000012793353 524527416 /nfs/dbraw/zinc/52/74/16/524527416.db2.gz BSCKGORPCVMDJR-UHFFFAOYSA-N 0 0 436.533 3.788 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 ZINC000020579507 524531435 /nfs/dbraw/zinc/53/14/35/524531435.db2.gz KJTMPTRSUHDUFS-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1 ZINC000035535069 524531558 /nfs/dbraw/zinc/53/15/58/524531558.db2.gz SUAJSUAWZBSZDF-UHFFFAOYSA-N 0 0 427.460 3.583 50 0 IHAARN COc1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4C)c3c2=O)cc1 ZINC000012229066 524532769 /nfs/dbraw/zinc/53/27/69/524532769.db2.gz WRCIYUJNJNLMGE-UHFFFAOYSA-N 0 0 431.496 3.661 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1 ZINC000041252155 524545492 /nfs/dbraw/zinc/54/54/92/524545492.db2.gz BSOPHTXKMDIQII-UHFFFAOYSA-N 0 0 436.943 3.611 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CS[C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000012322126 524546244 /nfs/dbraw/zinc/54/62/44/524546244.db2.gz PYJFJINKPUXREL-OAQYLSRUSA-N 0 0 425.554 3.680 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)c1 ZINC000012543835 524552104 /nfs/dbraw/zinc/55/21/04/524552104.db2.gz KDTRHTJZXSPHKD-UHFFFAOYSA-N 0 0 431.536 3.886 50 0 IHAARN COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c(OC)c1 ZINC000021156683 524580052 /nfs/dbraw/zinc/58/00/52/524580052.db2.gz ITMKSBHBKPPLDZ-UHFFFAOYSA-N 0 0 446.463 3.935 50 0 IHAARN COc1ccccc1NC(=O)CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21 ZINC000015776537 524588597 /nfs/dbraw/zinc/58/85/97/524588597.db2.gz NFHPMRHTPSYYKP-UHFFFAOYSA-N 0 0 436.903 3.970 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O ZINC000016840005 524603996 /nfs/dbraw/zinc/60/39/96/524603996.db2.gz HGEZYGUJOVUBSX-UHFFFAOYSA-N 0 0 448.454 3.969 50 0 IHAARN Cc1cccc(NC(=O)CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)c1 ZINC000035531782 524604783 /nfs/dbraw/zinc/60/47/83/524604783.db2.gz HAMDVZDRMQEPFR-UHFFFAOYSA-N 0 0 427.555 3.801 50 0 IHAARN COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CCC4)c1=O ZINC000012324711 524606356 /nfs/dbraw/zinc/60/63/56/524606356.db2.gz YBPRSAZRXIFBIA-UHFFFAOYSA-N 0 0 446.507 3.872 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(N[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000012638919 524628957 /nfs/dbraw/zinc/62/89/57/524628957.db2.gz YGRKXGQUTNBURX-INIZCTEOSA-N 0 0 447.491 3.793 50 0 IHAARN Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000016147964 524735873 /nfs/dbraw/zinc/73/58/73/524735873.db2.gz ZSKXXHSUPTWCSY-UHFFFAOYSA-N 0 0 436.961 3.584 50 0 IHAARN C[C@H](Cc1cccnc1)NC(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000012447987 524743609 /nfs/dbraw/zinc/74/36/09/524743609.db2.gz QMGBPEHPKFTXSB-LJQANCHMSA-N 0 0 444.535 3.521 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(C(=O)NCC(C)C)CC2)cc1 ZINC000033302462 524764787 /nfs/dbraw/zinc/76/47/87/524764787.db2.gz HVRXETHIYWPZQT-UHFFFAOYSA-N 0 0 438.597 3.803 50 0 IHAARN C[C@H](Cc1cnccn1)NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000014949675 524764818 /nfs/dbraw/zinc/76/48/18/524764818.db2.gz NISUFWOJBUAVED-OAHLLOKOSA-N 0 0 425.920 3.663 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033273259 524793916 /nfs/dbraw/zinc/79/39/16/524793916.db2.gz PPIONQVKCUAJKB-UHFFFAOYSA-N 0 0 442.566 3.667 50 0 IHAARN COc1ccc(OC)c(-n2c(SCC(=O)N[C@@H](C)C(C)C)nc3ccccc3c2=O)c1 ZINC000009390445 524798888 /nfs/dbraw/zinc/79/88/88/524798888.db2.gz FOVVJHVMFBRWFY-HNNXBMFYSA-N 0 0 441.553 3.656 50 0 IHAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCCC[C@@H]3c3ccccn3)o2)c1 ZINC000012434874 524841998 /nfs/dbraw/zinc/84/19/98/524841998.db2.gz DISPYEQNOBYSAL-HXUWFJFHSA-N 0 0 436.512 3.759 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000024199775 524863653 /nfs/dbraw/zinc/86/36/53/524863653.db2.gz NQHFCASTYNIFBM-YCRPNKLZSA-N 0 0 438.480 3.538 50 0 IHAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O ZINC000021759511 524863612 /nfs/dbraw/zinc/86/36/12/524863612.db2.gz GDPKXWYEDZKLSX-BLVKFPJESA-N 0 0 427.423 3.661 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 ZINC000015883361 524866916 /nfs/dbraw/zinc/86/69/16/524866916.db2.gz IIYBZZWDAHJRMR-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCc3c(Cl)cccc3C2)C[C@H](C)O1 ZINC000020909305 524886548 /nfs/dbraw/zinc/88/65/48/524886548.db2.gz HMBMNMHYNXBZCP-GASCZTMLSA-N 0 0 444.988 3.857 50 0 IHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c1 ZINC000012906024 524913807 /nfs/dbraw/zinc/91/38/07/524913807.db2.gz PKDPXROTJXPBHR-GOSISDBHSA-N 0 0 443.569 3.579 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045305 524916571 /nfs/dbraw/zinc/91/65/71/524916571.db2.gz DFURZOAQNUCNNI-RPWUZVMVSA-N 0 0 444.531 3.876 50 0 IHAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000012541238 524918837 /nfs/dbraw/zinc/91/88/37/524918837.db2.gz PFMKCNSAXKAJHX-GOSISDBHSA-N 0 0 435.402 3.989 50 0 IHAARN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN=C1SCc1ccccc1F ZINC000012462405 524944942 /nfs/dbraw/zinc/94/49/42/524944942.db2.gz YVFDOYBZAORARE-UHFFFAOYSA-N 0 0 447.557 3.555 50 0 IHAARN C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012770708 524962271 /nfs/dbraw/zinc/96/22/71/524962271.db2.gz RXSOXKIZXLDKMI-ZDUSSCGKSA-N 0 0 434.323 3.727 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 ZINC000033299165 524976961 /nfs/dbraw/zinc/97/69/61/524976961.db2.gz RBKNQMIBALYVFT-NRFANRHFSA-N 0 0 444.535 3.879 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000021705917 524988066 /nfs/dbraw/zinc/98/80/66/524988066.db2.gz XLGQYLGVWCQNQW-LAJNKCICSA-N 0 0 432.307 3.738 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000015391076 525027427 /nfs/dbraw/zinc/02/74/27/525027427.db2.gz QENKIIZSYXZNBZ-SFHVURJKSA-N 0 0 436.961 3.598 50 0 IHAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012548310 525031762 /nfs/dbraw/zinc/03/17/62/525031762.db2.gz KUHUPXYOFWABAI-UHFFFAOYSA-N 0 0 447.564 3.780 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4cccnc4)o3)no2)cc1C ZINC000021721840 525041456 /nfs/dbraw/zinc/04/14/56/525041456.db2.gz CONWRNKGAUSKTO-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000012361669 525045541 /nfs/dbraw/zinc/04/55/41/525045541.db2.gz SXSWZSIVTZCSPB-QHCPKHFHSA-N 0 0 442.537 3.616 50 0 IHAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1 ZINC000012888709 525070208 /nfs/dbraw/zinc/07/02/08/525070208.db2.gz KOUDIAPPVYNVDW-MRXNPFEDSA-N 0 0 430.545 3.593 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 ZINC000015780814 525093231 /nfs/dbraw/zinc/09/32/31/525093231.db2.gz SXLDMUIGAHTICL-HXUWFJFHSA-N 0 0 433.526 3.770 50 0 IHAARN Cc1ccccc1CN(C)C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012899804 525119431 /nfs/dbraw/zinc/11/94/31/525119431.db2.gz JXDATEARPBKCHR-UHFFFAOYSA-N 0 0 449.473 3.827 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F ZINC000012758799 525130915 /nfs/dbraw/zinc/13/09/15/525130915.db2.gz YBILBPGMLCWUOD-OKACTXMXSA-N 0 0 446.544 3.724 50 0 IHAARN Cc1cc(NC(=O)CSc2ncnc3nc(N(C)C)sc32)ccc1Br ZINC000035532668 525159291 /nfs/dbraw/zinc/15/92/91/525159291.db2.gz LSJMWALURFYOGM-UHFFFAOYSA-N 0 0 438.376 3.954 50 0 IHAARN C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br ZINC000022436659 525214802 /nfs/dbraw/zinc/21/48/02/525214802.db2.gz CXOWREKVFBORTQ-MRXNPFEDSA-N 0 0 432.362 3.842 50 0 IHAARN CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)CCc2cccs2)C3)cc1 ZINC000012245934 525240700 /nfs/dbraw/zinc/24/07/00/525240700.db2.gz CDTTZEHZZYZCQY-SFHVURJKSA-N 0 0 441.574 3.871 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000012870981 525243512 /nfs/dbraw/zinc/24/35/12/525243512.db2.gz LHNAGBHJANPDCO-UHFFFAOYSA-N 0 0 444.944 3.981 50 0 IHAARN Cc1ccc(NC(=O)c2ccccc2F)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000021797089 525246124 /nfs/dbraw/zinc/24/61/24/525246124.db2.gz IJDFRYOEIPJZCQ-UHFFFAOYSA-N 0 0 435.459 3.751 50 0 IHAARN COc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000021583488 525249692 /nfs/dbraw/zinc/24/96/92/525249692.db2.gz HZVCNZULOCBITH-FQEVSTJZSA-N 0 0 445.947 3.557 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCC2CC2)c(OC)c1 ZINC000036061934 525256713 /nfs/dbraw/zinc/25/67/13/525256713.db2.gz ZXKSDACQDZXVSW-PMACEKPBSA-N 0 0 442.943 3.739 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059707 525257297 /nfs/dbraw/zinc/25/72/97/525257297.db2.gz ZOUBCGKHTHGWFN-LEWJYISDSA-N 0 0 444.959 3.985 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(I)o2)ns1 ZINC000021659703 525281361 /nfs/dbraw/zinc/28/13/61/525281361.db2.gz JVOCMDNDUAWNKR-UHFFFAOYSA-N 0 0 441.250 3.729 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 ZINC000009469915 534847995 /nfs/dbraw/zinc/84/79/95/534847995.db2.gz VFGPOTJNHBVTTO-UHFFFAOYSA-N 0 0 430.552 3.973 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2csc(-c3ccsc3)n2)c1C ZINC000012748387 525390220 /nfs/dbraw/zinc/39/02/20/525390220.db2.gz JYHMIWUBLHSBDE-UHFFFAOYSA-N 0 0 435.596 3.920 50 0 IHAARN Cc1nc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)[nH]c1Cc1ccccc1 ZINC000012558650 525412455 /nfs/dbraw/zinc/41/24/55/525412455.db2.gz AZETWYHWYYGZEA-UHFFFAOYSA-N 0 0 431.583 3.730 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059812 525422119 /nfs/dbraw/zinc/42/21/19/525422119.db2.gz NNELAFXLGBSAON-DNQXCXABSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000024089765 525433516 /nfs/dbraw/zinc/43/35/16/525433516.db2.gz PEEUPWIFUCEXOQ-ICQFARAXSA-N 0 0 436.552 3.963 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cs2)cc1 ZINC000012796407 525448285 /nfs/dbraw/zinc/44/82/85/525448285.db2.gz RNGONKGBRLMHIT-UHFFFAOYSA-N 0 0 431.539 3.547 50 0 IHAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)nc12 ZINC000033067854 525460527 /nfs/dbraw/zinc/46/05/27/525460527.db2.gz JKTFRPUNIXEWMX-SFHVURJKSA-N 0 0 429.476 3.988 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(C)n2)cc1 ZINC000012225136 525472179 /nfs/dbraw/zinc/47/21/79/525472179.db2.gz JNIBZPSWPXLKLX-UHFFFAOYSA-N 0 0 442.516 3.536 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c(=O)oc2c1 ZINC000012351118 525496823 /nfs/dbraw/zinc/49/68/23/525496823.db2.gz HBHHNPOGQOAVOY-KRWDZBQOSA-N 0 0 449.503 3.954 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 ZINC000021931475 525501412 /nfs/dbraw/zinc/50/14/12/525501412.db2.gz DJFGVKZMPTWQSB-IBGZPJMESA-N 0 0 437.565 3.966 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000012594530 525529856 /nfs/dbraw/zinc/52/98/56/525529856.db2.gz AWQOJOFRXLLTHB-UHFFFAOYSA-N 0 0 442.512 3.931 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N1CCC(C)CC1)C2 ZINC000035911114 525551134 /nfs/dbraw/zinc/55/11/34/525551134.db2.gz DVPBVVNZKMDXAN-ILBGXUMGSA-N 0 0 437.559 3.960 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)c1cccn1-2 ZINC000035399335 525553032 /nfs/dbraw/zinc/55/30/32/525553032.db2.gz JZSPAUTYDUNAOE-UHFFFAOYSA-N 0 0 427.501 3.731 50 0 biogenic IHAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl ZINC000021873195 525554914 /nfs/dbraw/zinc/55/49/14/525554914.db2.gz VKPWROFKYNDIHV-QGZVFWFLSA-N 0 0 447.409 3.710 50 0 IHAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000032966516 525587579 /nfs/dbraw/zinc/58/75/79/525587579.db2.gz XSWHJSXIRAWQPM-FQEVSTJZSA-N 0 0 432.611 3.684 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC1CCCCC1 ZINC000012632607 525592163 /nfs/dbraw/zinc/59/21/63/525592163.db2.gz NPYCZKDKBANKQD-KRWDZBQOSA-N 0 0 427.408 3.997 50 0 IHAARN Cc1cc2c(cc1C)n(CC(=O)NCc1ccccc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535147 525605561 /nfs/dbraw/zinc/60/55/61/525605561.db2.gz REOCJUILJBOCEC-UHFFFAOYSA-N 0 0 425.488 3.561 50 0 IHAARN Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000020560079 525608873 /nfs/dbraw/zinc/60/88/73/525608873.db2.gz LBFLIVPRHWQQAU-SFHVURJKSA-N 0 0 442.556 3.712 50 0 biogenic IHAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2c1 ZINC000012473259 525624029 /nfs/dbraw/zinc/62/40/29/525624029.db2.gz KKUPAEPFYQPDEC-LJQANCHMSA-N 0 0 428.510 3.737 50 0 IHAARN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000021540933 525664158 /nfs/dbraw/zinc/66/41/58/525664158.db2.gz NCGOGBJAZGDCFW-GOSISDBHSA-N 0 0 432.524 3.864 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)cc(=O)n2o1 ZINC000041089576 525670784 /nfs/dbraw/zinc/67/07/84/525670784.db2.gz CXFMCWLLOVZWDE-UHFFFAOYSA-N 0 0 435.411 3.653 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)[C@H](C)Oc3ccccc3)cc(=O)n2o1 ZINC000035448216 525672033 /nfs/dbraw/zinc/67/20/33/525672033.db2.gz AMCMNCVCCSXVQG-KRWDZBQOSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3ccccc3C)cc(=O)n2o1 ZINC000035448095 525674527 /nfs/dbraw/zinc/67/45/27/525674527.db2.gz JOFPMSHRPKJBIS-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccc(C)cc3)c(=O)c12 ZINC000032999221 525678163 /nfs/dbraw/zinc/67/81/63/525678163.db2.gz CYDOQCZQBVQXNK-UHFFFAOYSA-N 0 0 432.499 3.958 50 0 IHAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)cc2c1 ZINC000012296655 525684268 /nfs/dbraw/zinc/68/42/68/525684268.db2.gz SXYRBGWZBFRWQZ-UHFFFAOYSA-N 0 0 445.471 3.912 50 0 biogenic IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3F)n2)c1 ZINC000015670531 525717539 /nfs/dbraw/zinc/71/75/39/525717539.db2.gz IQMIUYHFFZYYDK-KRWDZBQOSA-N 0 0 448.433 3.794 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)cc1C ZINC000021524242 525718784 /nfs/dbraw/zinc/71/87/84/525718784.db2.gz WSQGOHARPUGPSH-KRWDZBQOSA-N 0 0 430.551 3.849 50 0 IHAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2cc(C)on2)c1 ZINC000012999850 525729915 /nfs/dbraw/zinc/72/99/15/525729915.db2.gz OFWYJKIUASHIJD-UHFFFAOYSA-N 0 0 432.436 3.640 50 0 IHAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000012683906 525759632 /nfs/dbraw/zinc/75/96/32/525759632.db2.gz LFVLHCASHNJUMO-HSZRJFAPSA-N 0 0 437.565 3.834 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1C ZINC000021478030 525768603 /nfs/dbraw/zinc/76/86/03/525768603.db2.gz ILDDSKVZQMLJPT-QFIPXVFZSA-N 0 0 433.508 3.773 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000035511998 525799917 /nfs/dbraw/zinc/79/99/17/525799917.db2.gz XOKRCZHWZDIBGJ-OAHLLOKOSA-N 0 0 440.500 3.958 50 0 IHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000035526846 525802508 /nfs/dbraw/zinc/80/25/08/525802508.db2.gz OASZLPVEHASNRP-HSZRJFAPSA-N 0 0 427.476 3.547 50 0 IHAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N3)cc1 ZINC000020728115 525827330 /nfs/dbraw/zinc/82/73/30/525827330.db2.gz WNBPYICPFWWDNY-OAHLLOKOSA-N 0 0 426.274 3.538 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000035962079 525857173 /nfs/dbraw/zinc/85/71/73/525857173.db2.gz COZHQWLUNJXQBE-NRFANRHFSA-N 0 0 425.916 3.895 50 0 IHAARN Cc1c(Nc2nc3nonc3nc2Nc2cc(C)ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000035528329 525879286 /nfs/dbraw/zinc/87/92/86/525879286.db2.gz XSNNAWJKBDGRAV-UHFFFAOYSA-N 0 0 442.483 3.915 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 ZINC000012805100 525887092 /nfs/dbraw/zinc/88/70/92/525887092.db2.gz ITOZWMHTUPXCSA-NLMLHFBASA-N 0 0 438.568 3.789 50 0 IHAARN C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000021602991 525893353 /nfs/dbraw/zinc/89/33/53/525893353.db2.gz LMGFWSIOLOCJJQ-LLVKDONJSA-N 0 0 432.567 3.850 50 0 IHAARN C[C@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1F ZINC000021414693 525895175 /nfs/dbraw/zinc/89/51/75/525895175.db2.gz YEZPMZLTOYPDRF-AWEZNQCLSA-N 0 0 439.443 3.572 50 0 IHAARN COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1OC ZINC000012906059 525909925 /nfs/dbraw/zinc/90/99/25/525909925.db2.gz DKPPWVIYNPUXHA-QFIPXVFZSA-N 0 0 432.520 3.704 50 0 IHAARN C[C@@]12c3[nH]c4ccc(F)cc4c3CCN1C(=O)CN(CCc1ccc(Cl)cc1)C2=O ZINC000012867007 525917356 /nfs/dbraw/zinc/91/73/56/525917356.db2.gz QKKVZNWUXQOVGJ-QHCPKHFHSA-N 0 0 425.891 3.645 50 0 biogenic IHAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000012874714 525924780 /nfs/dbraw/zinc/92/47/80/525924780.db2.gz MHDYZMGREJKBAO-CYBMUJFWSA-N 0 0 449.736 3.826 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1cccc(F)c1)nc2C ZINC000020563696 525934726 /nfs/dbraw/zinc/93/47/26/525934726.db2.gz QGXJXOMTZGDMKD-KRWDZBQOSA-N 0 0 433.487 3.524 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000021650271 525955225 /nfs/dbraw/zinc/95/52/25/525955225.db2.gz FNATYBNAOOLYQF-MRXNPFEDSA-N 0 0 435.455 3.938 50 0 IHAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCCC2)no1 ZINC000035558438 525957185 /nfs/dbraw/zinc/95/71/85/525957185.db2.gz JGQUNYAXLURHFZ-INIZCTEOSA-N 0 0 432.484 3.634 50 0 IHAARN C[C@H](Oc1ccccc1F)c1nnc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 ZINC000017040277 525966493 /nfs/dbraw/zinc/96/64/93/525966493.db2.gz JVSOXRZAILJPMM-STQMWFEESA-N 0 0 442.472 3.815 50 0 IHAARN COc1cccc(CNC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 ZINC000012550533 525971775 /nfs/dbraw/zinc/97/17/75/525971775.db2.gz QNBYCYISZVQNJL-UHFFFAOYSA-N 0 0 429.476 3.816 50 0 IHAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000035533328 525974830 /nfs/dbraw/zinc/97/48/30/525974830.db2.gz WIGDDCMREIZVOI-UHFFFAOYSA-N 0 0 443.598 3.740 50 0 IHAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccccc2-n2cccn2)O3)n1 ZINC000012129291 525983537 /nfs/dbraw/zinc/98/35/37/525983537.db2.gz KTXIOWFJIBDJGR-HXUWFJFHSA-N 0 0 425.492 3.680 50 0 IHAARN Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccccc2-n2cccn2)C3)n1 ZINC000012029645 525984473 /nfs/dbraw/zinc/98/44/73/525984473.db2.gz DSIDSZHJZMODJJ-LJQANCHMSA-N 0 0 443.482 3.819 50 0 IHAARN CSc1ccc(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1 ZINC000021933490 525984646 /nfs/dbraw/zinc/98/46/46/525984646.db2.gz FZFSGOKWANDAAF-UHFFFAOYSA-N 0 0 434.565 3.624 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000012796242 526003065 /nfs/dbraw/zinc/00/30/65/526003065.db2.gz URHZRHGXXYUEQJ-GJZGRUSLSA-N 0 0 434.521 3.665 50 0 IHAARN C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000022527048 526012958 /nfs/dbraw/zinc/01/29/58/526012958.db2.gz GNZCLSGZCIECPS-SFHVURJKSA-N 0 0 427.618 3.852 50 0 IHAARN C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012604561 526015165 /nfs/dbraw/zinc/01/51/65/526015165.db2.gz DRENCQHKWYDNFI-VIFPVBQESA-N 0 0 445.353 3.771 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(I)c1 ZINC000012894712 526040529 /nfs/dbraw/zinc/04/05/29/526040529.db2.gz CWPVJKQJCUYDPP-CYBMUJFWSA-N 0 0 432.265 3.705 50 0 IHAARN C[C@H](C(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1 ZINC000020996712 526068388 /nfs/dbraw/zinc/06/83/88/526068388.db2.gz BBNBBRSUFKJKII-WBVHZDCISA-N 0 0 434.458 3.513 50 0 IHAARN COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000035887634 526084491 /nfs/dbraw/zinc/08/44/91/526084491.db2.gz UPLLELDAFXGZSG-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN Cc1ccc2[nH]c3c(ncn(CC(=O)Nc4ccc(Br)c(C)c4)c3=O)c2c1 ZINC000035423476 526109501 /nfs/dbraw/zinc/10/95/01/526109501.db2.gz JWVXMIPQTVQQPW-UHFFFAOYSA-N 0 0 425.286 3.896 50 0 IHAARN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012697586 526145265 /nfs/dbraw/zinc/14/52/65/526145265.db2.gz HESXKDBBDJJRSK-LJQANCHMSA-N 0 0 433.508 3.644 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4cccc(Cl)c4)n3)ccc12 ZINC000020723936 526151403 /nfs/dbraw/zinc/15/14/03/526151403.db2.gz LSEJUQONGPIAMY-UHFFFAOYSA-N 0 0 425.828 3.647 50 0 IHAARN COc1cccc(NC(=O)CCc2nnc3ccc(NCc4ccc(Cl)cc4)nn32)c1 ZINC000015776574 526171998 /nfs/dbraw/zinc/17/19/98/526171998.db2.gz ZINJHWAWISZHHZ-UHFFFAOYSA-N 0 0 436.903 3.970 50 0 IHAARN COc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 ZINC000012912022 526201463 /nfs/dbraw/zinc/20/14/63/526201463.db2.gz MANGFIVDAWSZKI-SANMLTNESA-N 0 0 441.487 3.813 50 0 IHAARN Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccc(F)cc2)CSC3)cc1C ZINC000023139637 526216619 /nfs/dbraw/zinc/21/66/19/526216619.db2.gz WTDVVSNRCYVELL-UHFFFAOYSA-N 0 0 438.528 3.955 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000016680193 526218656 /nfs/dbraw/zinc/21/86/56/526218656.db2.gz OOLABGIHHHEGPY-CYBMUJFWSA-N 0 0 442.472 3.644 50 0 IHAARN COc1cccc(OC[C@@H]2CCCN(C(=O)CN3Cc4cc(C)ccc4O[C@H](C)C3)C2)c1 ZINC000012280974 526233866 /nfs/dbraw/zinc/23/38/66/526233866.db2.gz RWZQDGVQZIPSSQ-NHCUHLMSSA-N 0 0 438.568 3.904 50 0 IHAARN Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000021128851 526245577 /nfs/dbraw/zinc/24/55/77/526245577.db2.gz IBLUCZIXYIVSHE-SFHVURJKSA-N 0 0 433.508 3.872 50 0 IHAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2nc(-n3cnnc3)ccc2Br)c1 ZINC000021721293 526248069 /nfs/dbraw/zinc/24/80/69/526248069.db2.gz BWNJMMJLGNLSFR-UHFFFAOYSA-N 0 0 444.333 3.665 50 0 IHAARN Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 ZINC000012753165 526248122 /nfs/dbraw/zinc/24/81/22/526248122.db2.gz PNHGZIDUOSMTKG-LJQANCHMSA-N 0 0 436.487 3.593 50 0 IHAARN Cc1cc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)c2ccc(F)cc2n1 ZINC000012750129 526261126 /nfs/dbraw/zinc/26/11/26/526261126.db2.gz ZLPWZWGGPTWZPX-HSZRJFAPSA-N 0 0 433.483 3.998 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000012928811 526262031 /nfs/dbraw/zinc/26/20/31/526262031.db2.gz RHKKPHKSXAXHQV-SUMWQHHRSA-N 0 0 429.380 3.542 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000015573696 526268528 /nfs/dbraw/zinc/26/85/28/526268528.db2.gz GFIPMUIKBOVDSU-UHFFFAOYSA-N 0 0 446.617 3.857 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Oc3ccc(-n4cnnn4)cc3)cc12 ZINC000014790833 526292061 /nfs/dbraw/zinc/29/20/61/526292061.db2.gz NQUYPFKQZDGZON-UHFFFAOYSA-N 0 0 434.456 3.789 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000035332087 526299031 /nfs/dbraw/zinc/29/90/31/526299031.db2.gz DOTCREYVGPXHAV-LFIBNONCSA-N 0 0 431.311 3.915 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3C)c12 ZINC000012746137 526305218 /nfs/dbraw/zinc/30/52/18/526305218.db2.gz XVOQJFOJHDVTRS-MRXNPFEDSA-N 0 0 442.516 3.677 50 0 IHAARN Fc1ccc(-n2ncc3c2ncnc3Sc2nnc(NC[C@H]3CCCO3)s2)cc1 ZINC000012584434 526320891 /nfs/dbraw/zinc/32/08/91/526320891.db2.gz RVECUJDFSGAIIX-CYBMUJFWSA-N 0 0 429.506 3.548 50 0 IHAARN O=C(CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)NCCc1ccccc1 ZINC000015879174 526327567 /nfs/dbraw/zinc/32/75/67/526327567.db2.gz BHCMMEMVTVDQKE-UHFFFAOYSA-N 0 0 425.554 3.899 50 0 IHAARN Fc1ccc(CN2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)cc1 ZINC000012099469 526335975 /nfs/dbraw/zinc/33/59/75/526335975.db2.gz CAUDAAHJFGIHPB-UHFFFAOYSA-N 0 0 432.543 3.938 50 0 IHAARN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000018179975 526379516 /nfs/dbraw/zinc/37/95/16/526379516.db2.gz QZSBWCXPZIBNDC-UHFFFAOYSA-N 0 0 444.535 3.728 50 0 IHAARN O=C(NCC[C@@H]1CCCCO1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012836213 526380043 /nfs/dbraw/zinc/38/00/43/526380043.db2.gz VHPLRIWCSJYSTA-NRFANRHFSA-N 0 0 434.584 3.924 50 0 IHAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012694478 526386068 /nfs/dbraw/zinc/38/60/68/526386068.db2.gz BRABCYMYOGPLTR-UHFFFAOYSA-N 0 0 426.538 3.608 50 0 IHAARN O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000021738747 526389829 /nfs/dbraw/zinc/38/98/29/526389829.db2.gz FWOCHYFMJMSMQF-UHFFFAOYSA-N 0 0 442.320 3.950 50 0 IHAARN O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cccnc1N1CCCC1 ZINC000036735159 526431579 /nfs/dbraw/zinc/43/15/79/526431579.db2.gz NCJCSQRHPNMIEF-UHFFFAOYSA-N 0 0 435.303 3.913 50 0 IHAARN Cc1csc2ncnc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c12 ZINC000001027188 526456607 /nfs/dbraw/zinc/45/66/07/526456607.db2.gz LNWALPGRCDLEAM-UHFFFAOYSA-N 0 0 442.488 3.529 50 0 IHAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 ZINC000032944046 526458844 /nfs/dbraw/zinc/45/88/44/526458844.db2.gz AUHPJXWBPJIKCE-HYSAVQALSA-N 0 0 445.585 3.777 50 0 IHAARN c1ccc(CNc2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000020827683 526472264 /nfs/dbraw/zinc/47/22/64/526472264.db2.gz HDJZWDRROXLFON-UHFFFAOYSA-N 0 0 432.553 3.962 50 0 IHAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F ZINC000022908176 526493545 /nfs/dbraw/zinc/49/35/45/526493545.db2.gz QSUWRWKQGQGRGO-FQEVSTJZSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)Nc1cccc2ccccc21 ZINC000020532636 526537466 /nfs/dbraw/zinc/53/74/66/526537466.db2.gz CNWQKCSIMBWANA-UHFFFAOYSA-N 0 0 444.896 3.627 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1)NCc1ccccc1Cl ZINC000012433660 526553616 /nfs/dbraw/zinc/55/36/16/526553616.db2.gz WPLMFKFILGKYTG-HNNXBMFYSA-N 0 0 430.961 3.998 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000012887721 526555365 /nfs/dbraw/zinc/55/53/65/526555365.db2.gz JMMWUYTXHYDHSG-SNVBAGLBSA-N 0 0 428.436 3.844 50 0 IHAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)cs1 ZINC000012621182 526569688 /nfs/dbraw/zinc/56/96/88/526569688.db2.gz PDGIPCARZOODOB-UHFFFAOYSA-N 0 0 433.533 3.740 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000020614417 526579572 /nfs/dbraw/zinc/57/95/72/526579572.db2.gz WQUKKRAJZQTVPR-HSZRJFAPSA-N 0 0 447.510 3.848 50 0 IHAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C ZINC000035551243 526584339 /nfs/dbraw/zinc/58/43/39/526584339.db2.gz DTDZIXWATHDPAK-UHFFFAOYSA-N 0 0 434.471 3.591 50 0 IHAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C ZINC000035891305 526584353 /nfs/dbraw/zinc/58/43/53/526584353.db2.gz ULSFBLUIJRNKAH-UHFFFAOYSA-N 0 0 444.507 3.550 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)CN3CCN(C(=O)c4cccs4)CC3)c2)cs1 ZINC000035400171 526587219 /nfs/dbraw/zinc/58/72/19/526587219.db2.gz AAVWTGLBNHNWQQ-UHFFFAOYSA-N 0 0 426.567 3.577 50 0 IHAARN O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC000021445775 526596724 /nfs/dbraw/zinc/59/67/24/526596724.db2.gz VQQIFWYQSGRIGA-UHFFFAOYSA-N 0 0 429.549 3.954 50 0 IHAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC(C)C ZINC000020607231 526612189 /nfs/dbraw/zinc/61/21/89/526612189.db2.gz MZTMTIZDHLMPMR-UHFFFAOYSA-N 0 0 444.538 3.800 50 0 IHAARN O=C(CCc1nc(CSc2nnc(-c3cccnc3)o2)no1)Nc1ccc(F)cc1F ZINC000021721853 526651350 /nfs/dbraw/zinc/65/13/50/526651350.db2.gz QIEPVTDSHYOKFC-UHFFFAOYSA-N 0 0 444.423 3.656 50 0 IHAARN O=C(CCc1nc(CSc2nnc(-c3cccnc3)o2)no1)Nc1cc(F)cc(F)c1 ZINC000021721851 526651607 /nfs/dbraw/zinc/65/16/07/526651607.db2.gz DHTUFJYRGLAPTM-UHFFFAOYSA-N 0 0 444.423 3.656 50 0 IHAARN O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012748038 526653561 /nfs/dbraw/zinc/65/35/61/526653561.db2.gz SLIJCCQVBCSNAA-QGZVFWFLSA-N 0 0 446.878 3.828 50 0 IHAARN O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000012701495 526665807 /nfs/dbraw/zinc/66/58/07/526665807.db2.gz YJLSEFUCCDYGLW-HXUWFJFHSA-N 0 0 449.507 3.530 50 0 IHAARN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012713570 526736701 /nfs/dbraw/zinc/73/67/01/526736701.db2.gz JMTZYRVNROHQSV-UHFFFAOYSA-N 0 0 425.529 3.587 50 0 IHAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(Br)c1 ZINC000012806583 526759879 /nfs/dbraw/zinc/75/98/79/526759879.db2.gz XWEXESJLKNXRCA-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN O=C(CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1)NCc1ccccc1 ZINC000012803787 526765552 /nfs/dbraw/zinc/76/55/52/526765552.db2.gz LUFDGKOLAGICEV-UHFFFAOYSA-N 0 0 445.588 3.588 50 0 IHAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000035392772 526766571 /nfs/dbraw/zinc/76/65/71/526766571.db2.gz ZXOCAUOWDCLKFB-UHFFFAOYSA-N 0 0 426.586 3.525 50 0 IHAARN O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl ZINC000022915670 526772669 /nfs/dbraw/zinc/77/26/69/526772669.db2.gz XKJVXRKZOZNLCY-UHFFFAOYSA-N 0 0 442.810 3.598 50 0 IHAARN O=C(c1cccc2c1C(=O)N(c1ccccc1)C2)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000020738526 526780703 /nfs/dbraw/zinc/78/07/03/526780703.db2.gz WBPDRXYQEPRUMK-LJQANCHMSA-N 0 0 437.503 3.910 50 0 IHAARN O=C(c1ccccc1)c1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000022673618 526798249 /nfs/dbraw/zinc/79/82/49/526798249.db2.gz AZPALDJCEWHRAG-UHFFFAOYSA-N 0 0 437.517 3.518 50 0 IHAARN O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000245131296 526822092 /nfs/dbraw/zinc/82/20/92/526822092.db2.gz VNUQZBOJMCIYCP-QGZVFWFLSA-N 0 0 437.487 3.947 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)CC1 ZINC000020530680 526828974 /nfs/dbraw/zinc/82/89/74/526828974.db2.gz LCMCPPXQOQLEDZ-UHFFFAOYSA-N 0 0 436.487 3.607 50 0 IHAARN O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000012599118 526834804 /nfs/dbraw/zinc/83/48/04/526834804.db2.gz POVWNJGVLMJQGQ-SFHVURJKSA-N 0 0 426.538 3.735 50 0 IHAARN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cncn1-c1ccc(F)cc1 ZINC000012742196 526835084 /nfs/dbraw/zinc/83/50/84/526835084.db2.gz IWLAXOWTANRKMV-UHFFFAOYSA-N 0 0 438.772 3.656 50 0 IHAARN Cc1nc(CN2CCN(C(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)cs1 ZINC000022225622 526862978 /nfs/dbraw/zinc/86/29/78/526862978.db2.gz OAQKWRSCUULWNT-UHFFFAOYSA-N 0 0 425.554 3.800 50 0 IHAARN Cc1sc2[nH]c(CN3Cc4ccccc4C[C@H]3C(N)=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000035349087 526894286 /nfs/dbraw/zinc/89/42/86/526894286.db2.gz ZRMQYWZWCJZINM-IBGZPJMESA-N 0 0 444.560 3.681 50 0 IHAARN NC(=O)CSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000035349168 526900551 /nfs/dbraw/zinc/90/05/51/526900551.db2.gz LZQXPZRORUVDLV-NRFANRHFSA-N 0 0 443.619 3.973 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1 ZINC000089712506 526908721 /nfs/dbraw/zinc/90/87/21/526908721.db2.gz IFNPKUFZFCZBIT-NRFANRHFSA-N 0 0 437.521 3.527 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)NCC1(N2CCOCC2)CCCCC1 ZINC000023736613 526947738 /nfs/dbraw/zinc/94/77/38/526947738.db2.gz MTRWOBPYJZQHTL-UHFFFAOYSA-N 0 0 445.785 3.633 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000023325466 526951259 /nfs/dbraw/zinc/95/12/59/526951259.db2.gz CMPRCPGVJNORMI-UHFFFAOYSA-N 0 0 441.871 3.904 50 0 IHAARN Cc1nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1I ZINC000009662969 526991478 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Cc1nn(-c2cccc(C)c2)c2nc(C)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000036002853 527534727 /nfs/dbraw/zinc/53/47/27/527534727.db2.gz DXXAUTQNCSOINK-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C ZINC000012770173 527541711 /nfs/dbraw/zinc/54/17/11/527541711.db2.gz NABZGUSCWASTHJ-UHFFFAOYSA-N 0 0 430.556 3.945 50 0 IHAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000036019682 527564699 /nfs/dbraw/zinc/56/46/99/527564699.db2.gz DYXQONXWCNFJBZ-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000035990256 527566610 /nfs/dbraw/zinc/56/66/10/527566610.db2.gz NKJIXZUVHHFNPM-UHFFFAOYSA-N 0 0 436.903 3.641 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccc(Br)cc1)CC(=O)N2C ZINC000033317471 527569600 /nfs/dbraw/zinc/56/96/00/527569600.db2.gz CWOMBOPPKCYKTN-INIZCTEOSA-N 0 0 426.318 3.848 50 0 IHAARN Nn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1C1CC1 ZINC000020817608 527582542 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3.605 50 0 IHAARN CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000008591164 536027583 /nfs/dbraw/zinc/02/75/83/536027583.db2.gz CNVQCFSCNBCSHZ-UHFFFAOYSA-N 0 0 449.551 3.618 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1F ZINC000009803028 536498108 /nfs/dbraw/zinc/49/81/08/536498108.db2.gz QFAJVTQDPZDYOE-UHFFFAOYSA-N 0 0 427.457 3.712 50 0 IHAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@H]21 ZINC000013987060 537024213 /nfs/dbraw/zinc/02/42/13/537024213.db2.gz PMKUYFTYECSMCA-QFIPXVFZSA-N 0 0 430.416 3.752 50 0 IHAARN COc1ccccc1N1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000003286031 537064619 /nfs/dbraw/zinc/06/46/19/537064619.db2.gz DYIJRCKTIBPOLY-UHFFFAOYSA-N 0 0 443.956 3.642 50 0 IHAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(F)cc1F ZINC000009055706 555507829 /nfs/dbraw/zinc/50/78/29/555507829.db2.gz GFJGIQVYBXTICE-UHFFFAOYSA-N 0 0 436.370 3.561 50 0 IHAARN O=C(NCc1ccco1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000000630957 555514847 /nfs/dbraw/zinc/51/48/47/555514847.db2.gz NELWFACPSQPYIR-UHFFFAOYSA-N 0 0 438.427 3.707 50 0 IHAARN CCn1c(CCNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000000634006 555516056 /nfs/dbraw/zinc/51/60/56/555516056.db2.gz JYRKXPWFMBKJDE-UHFFFAOYSA-N 0 0 437.569 3.618 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(OC)c3)CC2=O)cc1 ZINC000000639563 555517832 /nfs/dbraw/zinc/51/78/32/555517832.db2.gz UOVNRFUIGVEMSI-CYBMUJFWSA-N 0 0 433.302 3.848 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1OC ZINC000000641183 555518392 /nfs/dbraw/zinc/51/83/92/555518392.db2.gz DNMGUEMIWWSOIJ-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)c1ccco1 ZINC000000645084 555520183 /nfs/dbraw/zinc/52/01/83/555520183.db2.gz ISGWVSLASIOMKT-LJQANCHMSA-N 0 0 439.493 3.651 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c(OC)c1 ZINC000000646431 555521112 /nfs/dbraw/zinc/52/11/12/555521112.db2.gz IJEUSOPOBLEBSW-IBGZPJMESA-N 0 0 425.876 3.876 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000647155 555521274 /nfs/dbraw/zinc/52/12/74/555521274.db2.gz XUVGWVCFQXCKRE-ROUUACIJSA-N 0 0 432.450 3.824 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000000652523 555523465 /nfs/dbraw/zinc/52/34/65/555523465.db2.gz RMLMKMCEJNBIKR-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000655587 555524759 /nfs/dbraw/zinc/52/47/59/555524759.db2.gz YARTYELFOAVZLV-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)OC)c1C ZINC000000673355 555532131 /nfs/dbraw/zinc/53/21/31/555532131.db2.gz PGRRUGLDCFVYDW-UHFFFAOYSA-N 0 0 438.933 3.996 50 0 IHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(OC)ccc1Br ZINC000000689014 555541320 /nfs/dbraw/zinc/54/13/20/555541320.db2.gz OOFOMAZIONMLDK-UHFFFAOYSA-N 0 0 438.318 3.819 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H](OC(C)=O)c2ccccc2)c(C(=O)OCC)c1C ZINC000000707039 555545129 /nfs/dbraw/zinc/54/51/29/555545129.db2.gz UITQAVDMHQUBKE-MRXNPFEDSA-N 0 0 433.482 3.653 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000708943 555546151 /nfs/dbraw/zinc/54/61/51/555546151.db2.gz FNFWOBBLRJIJDA-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN COc1ccc(-c2c3c(c4c(-c5ccccc5)cc(C)nn24)n(C)c(=O)n(C)c3=O)cc1 ZINC000000718932 555549329 /nfs/dbraw/zinc/54/93/29/555549329.db2.gz PWMSGEVDFFWLNK-UHFFFAOYSA-N 0 0 426.476 3.536 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000000719173 555549465 /nfs/dbraw/zinc/54/94/65/555549465.db2.gz WJMUDBKUXRUHOW-IBGZPJMESA-N 0 0 429.517 3.571 50 0 IHAARN O=c1c2c3c(sc2nc2n1CCCCC2)C(=O)C(Br)(Br)CC3 ZINC000000728253 555551869 /nfs/dbraw/zinc/55/18/69/555551869.db2.gz KEFDKJYKLQDTQF-UHFFFAOYSA-N 0 0 446.164 3.799 50 0 IHAARN CCCS(=O)(=O)c1c2ccccn2c(C(=O)c2ccc(C)cc2)c1S(=O)(=O)CCC ZINC000000783585 555555513 /nfs/dbraw/zinc/55/55/13/555555513.db2.gz NIGBOHGFGAVJMX-UHFFFAOYSA-N 0 0 447.578 3.846 50 0 IHAARN CCOc1c(OC)cccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2ncnn21 ZINC000000812707 555560890 /nfs/dbraw/zinc/56/08/90/555560890.db2.gz GGXUYGKSUYAIBQ-HXUWFJFHSA-N 0 0 435.484 3.622 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000000823268 555564565 /nfs/dbraw/zinc/56/45/65/555564565.db2.gz NKYSCFSNEBARFK-UHFFFAOYSA-N 0 0 440.587 3.540 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000000839744 555567587 /nfs/dbraw/zinc/56/75/87/555567587.db2.gz DBMJXYNCYYLTLZ-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000000840020 555567921 /nfs/dbraw/zinc/56/79/21/555567921.db2.gz WPCHFILODQZCKU-UHFFFAOYSA-N 0 0 426.494 3.781 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000000845567 555569324 /nfs/dbraw/zinc/56/93/24/555569324.db2.gz WZUJQHSSOFNAQW-HXUWFJFHSA-N 0 0 427.526 3.534 50 0 IHAARN COc1cccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)c1OC ZINC000000854772 555571025 /nfs/dbraw/zinc/57/10/25/555571025.db2.gz ZYHPYQHRFGZKMZ-UVTDQMKNSA-N 0 0 435.217 3.653 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)cc1 ZINC000000862130 555572694 /nfs/dbraw/zinc/57/26/94/555572694.db2.gz MDWLYGZQGUZJCS-UHFFFAOYSA-N 0 0 439.541 3.643 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc(OC)c1OC ZINC000000873207 555575768 /nfs/dbraw/zinc/57/57/68/555575768.db2.gz BTWYNWDANJKMRG-UHFFFAOYSA-N 0 0 428.514 3.547 50 0 IHAARN COc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000000877287 555576531 /nfs/dbraw/zinc/57/65/31/555576531.db2.gz SXPMXEXDXIPPCS-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000000880078 555577116 /nfs/dbraw/zinc/57/71/16/555577116.db2.gz UVQOJXBRAIHLJX-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000000881866 555577774 /nfs/dbraw/zinc/57/77/74/555577774.db2.gz GABZYZRKQLRCGG-UHFFFAOYSA-N 0 0 436.331 3.933 50 0 IHAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000000886330 555578961 /nfs/dbraw/zinc/57/89/61/555578961.db2.gz KLJDLZWREAWLFQ-UHFFFAOYSA-N 0 0 444.896 3.903 50 0 IHAARN COc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(OC)c1 ZINC000000886889 555579256 /nfs/dbraw/zinc/57/92/56/555579256.db2.gz TUEHBZDTAXUKRS-UHFFFAOYSA-N 0 0 431.539 3.611 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000000897864 555580620 /nfs/dbraw/zinc/58/06/20/555580620.db2.gz RSUKPQVIBJAOED-UHFFFAOYSA-N 0 0 428.535 3.547 50 0 IHAARN CN(C1=C(Cl)C(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 ZINC000000947633 555588241 /nfs/dbraw/zinc/58/82/41/555588241.db2.gz WVJFCQDCUROQGK-UHFFFAOYSA-N 0 0 438.652 3.751 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001001416 555600200 /nfs/dbraw/zinc/60/02/00/555600200.db2.gz HIAYUSFSIGYEEL-UHFFFAOYSA-N 0 0 432.432 3.734 50 0 IHAARN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000001015600 555602572 /nfs/dbraw/zinc/60/25/72/555602572.db2.gz NOULNKXLGKJTJE-UHFFFAOYSA-N 0 0 436.892 3.579 50 0 IHAARN COC(=O)c1sc(SC)c(-c2ccn(S(=O)(=O)c3ccc(F)cc3F)n2)c1C ZINC000001037600 555608670 /nfs/dbraw/zinc/60/86/70/555608670.db2.gz UVUGLDFRSRHTRK-UHFFFAOYSA-N 0 0 444.506 3.944 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1 ZINC000001045753 555610898 /nfs/dbraw/zinc/61/08/98/555610898.db2.gz HRKKBKZTMUPKNJ-UHFFFAOYSA-N 0 0 437.562 3.763 50 0 IHAARN COc1cccc2cc(C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)c(=O)oc21 ZINC000001055398 555614314 /nfs/dbraw/zinc/61/43/14/555614314.db2.gz BXCZXUCMYFKLIU-UHFFFAOYSA-N 0 0 428.444 3.984 50 0 IHAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000001058705 555615420 /nfs/dbraw/zinc/61/54/20/555615420.db2.gz SMRKOXWSOBOUAW-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000001059210 555615864 /nfs/dbraw/zinc/61/58/64/555615864.db2.gz PAEFEIYCYYYYJE-UHFFFAOYSA-N 0 0 438.505 3.763 50 0 IHAARN COc1cccc(C(=O)NC(=S)Nc2ccc(I)cc2F)c1 ZINC000001070990 555621194 /nfs/dbraw/zinc/62/11/94/555621194.db2.gz MOVLUJMGIJUTJH-UHFFFAOYSA-N 0 0 430.242 3.566 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000001072994 555622240 /nfs/dbraw/zinc/62/22/40/555622240.db2.gz NZXHIXBSQOUBKC-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN C[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001077872 555625013 /nfs/dbraw/zinc/62/50/13/555625013.db2.gz NNQIZSYISBTDJN-LLVKDONJSA-N 0 0 431.739 3.896 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 ZINC000001077484 555625027 /nfs/dbraw/zinc/62/50/27/555625027.db2.gz ZNJJKDLFPDHRKT-UHFFFAOYSA-N 0 0 431.521 3.969 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1 ZINC000001087817 555627026 /nfs/dbraw/zinc/62/70/26/555627026.db2.gz NAHLFLZIUIGTKJ-AYIBLLACSA-N 0 0 425.484 3.628 50 0 IHAARN O=C(Nc1ccc(Br)cn1)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000001108797 555630199 /nfs/dbraw/zinc/63/01/99/555630199.db2.gz BJEXNMJTJFRYRT-UHFFFAOYSA-N 0 0 438.281 3.766 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 ZINC000001110989 555631415 /nfs/dbraw/zinc/63/14/15/555631415.db2.gz PFIQKDRCOLLGLQ-AWEZNQCLSA-N 0 0 443.960 3.999 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001111012 555631716 /nfs/dbraw/zinc/63/17/16/555631716.db2.gz AVWREOAZDCHWLX-LLVKDONJSA-N 0 0 431.739 3.896 50 0 IHAARN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001114765 555633694 /nfs/dbraw/zinc/63/36/94/555633694.db2.gz HCBZWOWAMQLZKX-UHFFFAOYSA-N 0 0 434.867 3.802 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(C)cc1Br ZINC000001118897 555636080 /nfs/dbraw/zinc/63/60/80/555636080.db2.gz RXQYCTOKFQJMEJ-UHFFFAOYSA-N 0 0 438.274 3.579 50 0 IHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nnc(SCc2ccccc2)s1 ZINC000001127234 555641615 /nfs/dbraw/zinc/64/16/15/555641615.db2.gz RLPWJFBFYKMQTA-UHFFFAOYSA-N 0 0 438.534 3.845 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)c(C)c1 ZINC000001135379 555646905 /nfs/dbraw/zinc/64/69/05/555646905.db2.gz BWQCDLKKVPSTGM-UHFFFAOYSA-N 0 0 437.565 3.514 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1 ZINC000001141387 555650081 /nfs/dbraw/zinc/65/00/81/555650081.db2.gz GAZSZELBAJZWAE-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1C ZINC000001143721 555651826 /nfs/dbraw/zinc/65/18/26/555651826.db2.gz ZXXPWKKQNHIMJH-UHFFFAOYSA-N 0 0 438.549 3.842 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2C)cc1 ZINC000001144194 555652058 /nfs/dbraw/zinc/65/20/58/555652058.db2.gz BXDWZXDDIHDNMY-UHFFFAOYSA-N 0 0 440.525 3.787 50 0 IHAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000001150029 555655811 /nfs/dbraw/zinc/65/58/11/555655811.db2.gz FGVPHMZJLUUAKZ-AREMUKBSSA-N 0 0 429.472 3.774 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000001151456 555656737 /nfs/dbraw/zinc/65/67/37/555656737.db2.gz NMTOQACGTACAJN-UHFFFAOYSA-N 0 0 446.550 3.914 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1C ZINC000001154124 555657881 /nfs/dbraw/zinc/65/78/81/555657881.db2.gz GYTWMVOJMAZIGN-MRXNPFEDSA-N 0 0 430.298 3.845 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccnc4)cc3n2)cc1Cl ZINC000001154255 555658167 /nfs/dbraw/zinc/65/81/67/555658167.db2.gz OLEWASATYINTJR-UHFFFAOYSA-N 0 0 438.900 3.604 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000001156966 555659557 /nfs/dbraw/zinc/65/95/57/555659557.db2.gz JPGQJAJUXDAKQG-UHFFFAOYSA-N 0 0 428.539 3.849 50 0 IHAARN Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000001165663 555663752 /nfs/dbraw/zinc/66/37/52/555663752.db2.gz KOXNMLTTYCQMNN-INIZCTEOSA-N 0 0 431.457 3.520 50 0 IHAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000001181812 555672178 /nfs/dbraw/zinc/67/21/78/555672178.db2.gz IJSMFULWFZPDPQ-UHFFFAOYSA-N 0 0 437.359 3.657 50 0 IHAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001189486 555675478 /nfs/dbraw/zinc/67/54/78/555675478.db2.gz KPQDYORAWUMBPS-JOCHJYFZSA-N 0 0 432.480 3.739 50 0 IHAARN CSc1nnc2c(n1)O[C@H](c1ccc(I)o1)Nc1ccccc1-2 ZINC000001199597 555677881 /nfs/dbraw/zinc/67/78/81/555677881.db2.gz YFRNFCNXGDSRFI-CYBMUJFWSA-N 0 0 438.250 3.961 50 0 IHAARN O=C(Cc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000001213658 555683031 /nfs/dbraw/zinc/68/30/31/555683031.db2.gz QOGLYQCECLFBGG-QGZVFWFLSA-N 0 0 427.220 3.879 50 0 IHAARN C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)no1 ZINC000010537216 555693652 /nfs/dbraw/zinc/69/36/52/555693652.db2.gz UREWNBRIJHWNKL-MRXNPFEDSA-N 0 0 432.480 3.770 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1OC ZINC000001407271 555693745 /nfs/dbraw/zinc/69/37/45/555693745.db2.gz CHNZLKGVDWVTME-JLCFBVMHSA-N 0 0 431.448 3.688 50 0 IHAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000001428344 555696243 /nfs/dbraw/zinc/69/62/43/555696243.db2.gz DLVYQVZZGUDOIL-UHFFFAOYSA-N 0 0 426.469 3.632 50 0 IHAARN CCCC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)cc1 ZINC000001440766 555697653 /nfs/dbraw/zinc/69/76/53/555697653.db2.gz OFJWIJMEMTZIDG-UHFFFAOYSA-N 0 0 446.507 3.566 50 0 IHAARN CN(C)c1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)nc(N(C)C)n1 ZINC000001742514 555711843 /nfs/dbraw/zinc/71/18/43/555711843.db2.gz YXFSBCSULHWBEA-UHFFFAOYSA-N 0 0 437.495 3.715 50 0 IHAARN Cc1c(N2C(=O)SC(=C3C(=O)Nc4ccccc43)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000001776010 555714092 /nfs/dbraw/zinc/71/40/92/555714092.db2.gz PQZIEMBKOLHNHP-VLGSPTGOSA-N 0 0 432.461 3.697 50 0 IHAARN Cc1cc(-c2nc(C)c(-c3nnc(SCC(=O)Nc4ccccc4)n3C)s2)no1 ZINC000002156652 555750260 /nfs/dbraw/zinc/75/02/60/555750260.db2.gz JTBGNFXVJLEFFC-UHFFFAOYSA-N 0 0 426.527 3.941 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(SC)cc2)c1 ZINC000002365538 555772670 /nfs/dbraw/zinc/77/26/70/555772670.db2.gz OXYKEZJWTBDEED-FQEVSTJZSA-N 0 0 437.525 3.945 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002376936 555773594 /nfs/dbraw/zinc/77/35/94/555773594.db2.gz XALMVAUHWIBMFZ-UHFFFAOYSA-N 0 0 427.436 3.990 50 0 IHAARN COc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc(OC)c1 ZINC000002397083 555775912 /nfs/dbraw/zinc/77/59/12/555775912.db2.gz MGDUNHQXALGRAI-UHFFFAOYSA-N 0 0 441.557 3.704 50 0 IHAARN COc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002417197 555777404 /nfs/dbraw/zinc/77/74/04/555777404.db2.gz GLWSOKHAZUAAGQ-UHFFFAOYSA-N 0 0 446.532 3.854 50 0 IHAARN COC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000002516993 555785623 /nfs/dbraw/zinc/78/56/23/555785623.db2.gz XLVVPIVANBPSAY-UHFFFAOYSA-N 0 0 434.400 3.698 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000002634640 555790392 /nfs/dbraw/zinc/79/03/92/555790392.db2.gz KGIHATQQNDUKSJ-LJQANCHMSA-N 0 0 446.981 3.834 50 0 IHAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000002688088 555798683 /nfs/dbraw/zinc/79/86/83/555798683.db2.gz JCEWRIXPCNQLIE-UHFFFAOYSA-N 0 0 445.504 3.731 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)cc2)n(-c2ccccc2)c(=O)n1Cc1ccccc1 ZINC000034692847 555805314 /nfs/dbraw/zinc/80/53/14/555805314.db2.gz BYVZSPXVGPOGAV-UHFFFAOYSA-N 0 0 426.451 3.585 50 0 IHAARN Cn1cc(Br)c(C(=O)Nc2ccc(Br)cc2Br)n1 ZINC000002763460 555813449 /nfs/dbraw/zinc/81/34/49/555813449.db2.gz TUGRMCABOSGBRC-UHFFFAOYSA-N 0 0 437.917 3.960 50 0 IHAARN COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683334 555818741 /nfs/dbraw/zinc/81/87/41/555818741.db2.gz RWZOPKAICALTMK-UHFFFAOYSA-N 0 0 442.556 3.665 50 0 IHAARN CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1 ZINC000002830964 555832068 /nfs/dbraw/zinc/83/20/68/555832068.db2.gz DGQGIBRTOSIELW-UHFFFAOYSA-N 0 0 425.493 3.552 50 0 IHAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1C ZINC000002840910 555835251 /nfs/dbraw/zinc/83/52/51/555835251.db2.gz ULJYVMPRPQEMSI-UHFFFAOYSA-N 0 0 441.532 3.715 50 0 IHAARN CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000002840923 555835568 /nfs/dbraw/zinc/83/55/68/555835568.db2.gz FYOVKDJZHYTOPD-UHFFFAOYSA-N 0 0 439.249 3.828 50 0 IHAARN O=C(Nc1nc(COc2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002841602 555835776 /nfs/dbraw/zinc/83/57/76/555835776.db2.gz MFIIVLDKWOFBLS-UHFFFAOYSA-N 0 0 443.550 3.759 50 0 IHAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)NCCc1cccc(Cl)c1 ZINC000002851906 555839901 /nfs/dbraw/zinc/83/99/01/555839901.db2.gz KPHQVUTWPUNSDN-UHFFFAOYSA-N 0 0 439.990 3.727 50 0 IHAARN COc1ccc(CCCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1C ZINC000002854635 555841055 /nfs/dbraw/zinc/84/10/55/555841055.db2.gz YGSWOEVXVIUXIJ-UHFFFAOYSA-N 0 0 438.597 3.758 50 0 IHAARN CS(=O)(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002856108 555841673 /nfs/dbraw/zinc/84/16/73/555841673.db2.gz XOFROQXORRQHKI-UHFFFAOYSA-N 0 0 436.577 3.720 50 0 IHAARN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000002858266 555842888 /nfs/dbraw/zinc/84/28/88/555842888.db2.gz ZBBGPNRDMFAUSK-UHFFFAOYSA-N 0 0 438.908 3.513 50 0 IHAARN COCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002868555 555848741 /nfs/dbraw/zinc/84/87/41/555848741.db2.gz ROANGUROGXMNMF-UHFFFAOYSA-N 0 0 445.368 3.650 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000002872139 555850456 /nfs/dbraw/zinc/85/04/56/555850456.db2.gz IWMKRQFCJZOOSU-FQEVSTJZSA-N 0 0 425.451 3.857 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1C(F)(F)F ZINC000002877691 555853324 /nfs/dbraw/zinc/85/33/24/555853324.db2.gz FACUURTUYRVGAK-UHFFFAOYSA-N 0 0 442.459 3.898 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002885037 555857740 /nfs/dbraw/zinc/85/77/40/555857740.db2.gz XLSAMKPGHJMASC-UHFFFAOYSA-N 0 0 442.459 3.898 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000002982354 555872823 /nfs/dbraw/zinc/87/28/23/555872823.db2.gz OAAFNQQKHDUINK-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN Cc1ccc(C)c(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000002984962 555873758 /nfs/dbraw/zinc/87/37/58/555873758.db2.gz UTDABWGHUKCMRW-UHFFFAOYSA-N 0 0 441.018 3.772 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000003072843 555884519 /nfs/dbraw/zinc/88/45/19/555884519.db2.gz HCHSUFZHGMFPEP-LLVKDONJSA-N 0 0 440.668 3.936 50 0 IHAARN COC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000034737763 555888446 /nfs/dbraw/zinc/88/84/46/555888446.db2.gz RVBKXDYBCAWGRZ-ZDLGFXPLSA-N 0 0 431.441 3.623 50 0 IHAARN COC(=O)N[C@H](S[C@@H](NC(=O)OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000003122239 555889361 /nfs/dbraw/zinc/88/93/61/555889361.db2.gz DDXIKMIMFZIUPE-QWWZWVQMSA-N 0 0 442.963 3.824 50 0 IHAARN O=C(c1cc2n(n1)CCN(Cc1ccc(F)cc1)C2=O)N1CCC(Cc2ccccc2)CC1 ZINC000034810950 555908715 /nfs/dbraw/zinc/90/87/15/555908715.db2.gz FMRQWQQMSHUFRY-UHFFFAOYSA-N 0 0 446.526 3.773 50 0 IHAARN CCNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003462469 555935550 /nfs/dbraw/zinc/93/55/50/555935550.db2.gz AXFNXCLODLUUOO-UHFFFAOYSA-N 0 0 435.760 3.974 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670140 555945368 /nfs/dbraw/zinc/94/53/68/555945368.db2.gz CXGDXBIYYKWDAP-JOCHJYFZSA-N 0 0 425.847 3.993 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003958278 555951797 /nfs/dbraw/zinc/95/17/97/555951797.db2.gz DWBQWYOYMFYVRN-JQOQJDEVSA-N 0 0 426.513 3.538 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000004019465 555953088 /nfs/dbraw/zinc/95/30/88/555953088.db2.gz YKEDMQDSYPPBBG-UHFFFAOYSA-N 0 0 448.544 3.845 50 0 aggregator IHAARN CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000010552721 555976029 /nfs/dbraw/zinc/97/60/29/555976029.db2.gz SNIURJXBEKSNOR-UHFFFAOYSA-N 0 0 427.551 3.849 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(SCc3ccccc3Cl)=NC2=N1 ZINC000004574841 556002219 /nfs/dbraw/zinc/00/22/19/556002219.db2.gz UBCSQMUXQPOPIU-KRWDZBQOSA-N 0 0 429.908 3.759 50 0 IHAARN CCC[C@]12C[C@H](OC1=O)[C@@H]1[C@@H](CC=C3CC4(CC[C@@]31C)OCCO4)[C@@]2(O)/C=C/OCC ZINC000005952195 556070738 /nfs/dbraw/zinc/07/07/38/556070738.db2.gz NCVXCIWMIWHNSZ-OBTWINHISA-N 0 0 432.557 3.879 50 0 IHAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000006088654 556075594 /nfs/dbraw/zinc/07/55/94/556075594.db2.gz HMZQNIPFBZYONO-SFHVURJKSA-N 0 0 429.498 3.888 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1 ZINC000006136676 556076991 /nfs/dbraw/zinc/07/69/91/556076991.db2.gz UAUKPODKMFRXDK-NRFANRHFSA-N 0 0 448.454 3.596 50 0 IHAARN Cc1ccc2c(nc3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n23)c1C ZINC000006459884 556089709 /nfs/dbraw/zinc/08/97/09/556089709.db2.gz BLJCMOFAQZSWHT-OMCISZLKSA-N 0 0 429.295 3.565 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(SC)cc2)c1 ZINC000006461716 556090027 /nfs/dbraw/zinc/09/00/27/556090027.db2.gz OXYKEZJWTBDEED-HXUWFJFHSA-N 0 0 437.525 3.945 50 0 IHAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002407052 556091335 /nfs/dbraw/zinc/09/13/35/556091335.db2.gz YPYGXEZQTLACRU-DLBZAZTESA-N 0 0 425.851 3.870 50 0 IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)Nc1nnc(-c2ccccc2)o1 ZINC000010577247 556092752 /nfs/dbraw/zinc/09/27/52/556092752.db2.gz ZFESNAXRHMOKTD-UHFFFAOYSA-N 0 0 425.400 3.744 50 0 IHAARN COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006905219 556109565 /nfs/dbraw/zinc/10/95/65/556109565.db2.gz MHSCPJHEZZQALR-UHFFFAOYSA-N 0 0 434.583 3.852 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000002704046 556123254 /nfs/dbraw/zinc/12/32/54/556123254.db2.gz WDKGCXWODPZUGW-JOCHJYFZSA-N 0 0 427.412 3.973 50 0 IHAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002705704 556123848 /nfs/dbraw/zinc/12/38/48/556123848.db2.gz FYMWRODSHOYYHT-UHFFFAOYSA-N 0 0 433.508 3.634 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1ccccc1F ZINC000002711736 556125399 /nfs/dbraw/zinc/12/53/99/556125399.db2.gz CGZHQVABPDZPRV-UHFFFAOYSA-N 0 0 429.336 3.882 50 0 IHAARN CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C(=O)OCC)cc2)c2ccccc21 ZINC000002722217 556127918 /nfs/dbraw/zinc/12/79/18/556127918.db2.gz XWEMXFIUBXDUDS-UHFFFAOYSA-N 0 0 428.510 3.640 50 0 IHAARN CCCCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1 ZINC000002733807 556135080 /nfs/dbraw/zinc/13/50/80/556135080.db2.gz BFDNMPKVSCAMKH-UHFFFAOYSA-N 0 0 447.992 3.735 50 0 IHAARN Cc1nn(C)cc1CN(C)C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002777967 556140817 /nfs/dbraw/zinc/14/08/17/556140817.db2.gz ZQKOZBBVPQWPNJ-SNVBAGLBSA-N 0 0 448.287 3.803 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccnn2CC)c(Cl)cc1Cl ZINC000002793878 556144983 /nfs/dbraw/zinc/14/49/83/556144983.db2.gz WITZDTHZDOQMLU-UHFFFAOYSA-N 0 0 447.388 3.513 50 0 IHAARN CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cnn(C)c4)c3n2)s1 ZINC000002793896 556145060 /nfs/dbraw/zinc/14/50/60/556145060.db2.gz HOPATOFFRXEFLN-UHFFFAOYSA-N 0 0 434.447 3.703 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)C1 ZINC000008017912 556149127 /nfs/dbraw/zinc/14/91/27/556149127.db2.gz LRMBMBPGFKLKDE-YKSBVNFPSA-N 0 0 446.551 3.998 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 ZINC000003024650 556157281 /nfs/dbraw/zinc/15/72/81/556157281.db2.gz UEKLTFRUGBHFCE-UHFFFAOYSA-N 0 0 428.485 3.608 50 0 IHAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000003024883 556157697 /nfs/dbraw/zinc/15/76/97/556157697.db2.gz FYXASZCTROQKHL-UHFFFAOYSA-N 0 0 442.512 3.998 50 0 IHAARN CCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 ZINC000003015433 556158216 /nfs/dbraw/zinc/15/82/16/556158216.db2.gz SWCQEWZSFIZIBW-UHFFFAOYSA-N 0 0 433.508 3.874 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000008383837 556159667 /nfs/dbraw/zinc/15/96/67/556159667.db2.gz HKFWLTJYYSMFPT-XLIONFOSSA-N 0 0 437.492 3.729 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000008383868 556159685 /nfs/dbraw/zinc/15/96/85/556159685.db2.gz DWPPWLOHWFYWIC-HXUWFJFHSA-N 0 0 437.492 3.649 50 0 IHAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000008410911 556167059 /nfs/dbraw/zinc/16/70/59/556167059.db2.gz SKSAZMCSJQUVGP-UHFFFAOYSA-N 0 0 427.412 3.787 50 0 IHAARN O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000008424381 556167979 /nfs/dbraw/zinc/16/79/79/556167979.db2.gz VUHUMWPLMVQDLQ-JTHBVZDNSA-N 0 0 445.471 3.714 50 0 IHAARN CCOc1cc(Br)c(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC ZINC000008439293 556175476 /nfs/dbraw/zinc/17/54/76/556175476.db2.gz CQLCVRCLNHUTFO-RQZCQDPDSA-N 0 0 431.311 3.627 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1Cc1cccnc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000008449607 556180715 /nfs/dbraw/zinc/18/07/15/556180715.db2.gz APYWSEPQFKBQQR-ZRDDSIGQSA-N 0 0 445.316 3.980 50 0 IHAARN CCOC(=O)c1ccc(OC(=O)c2ccccc2I)c(OC)c1 ZINC000008452567 556183173 /nfs/dbraw/zinc/18/31/73/556183173.db2.gz DNYWJSWVRDUXIX-UHFFFAOYSA-N 0 0 426.206 3.696 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(ncc(Br)c3C)[nH]2)cc1 ZINC000008583731 556187941 /nfs/dbraw/zinc/18/79/41/556187941.db2.gz JEHBGPIUBMZYEI-UHFFFAOYSA-N 0 0 449.330 3.936 50 0 IHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000008583831 556188009 /nfs/dbraw/zinc/18/80/09/556188009.db2.gz ZAVCGAYDAALQJT-FQEVSTJZSA-N 0 0 435.480 3.582 50 0 IHAARN CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000008625459 556193567 /nfs/dbraw/zinc/19/35/67/556193567.db2.gz OQKILCHFYOUMPM-UHFFFAOYSA-N 0 0 437.363 3.516 50 0 biogenic IHAARN Cc1cc(=O)n(Cc2cccc(C(F)(F)F)c2)c(SCC(=O)Nc2nccs2)n1 ZINC000008717033 556202358 /nfs/dbraw/zinc/20/23/58/556202358.db2.gz LTHJKQJCALFLKU-UHFFFAOYSA-N 0 0 440.472 3.806 50 0 IHAARN CCCCS(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)CCCC)CCCC1=O ZINC000008715861 556202431 /nfs/dbraw/zinc/20/24/31/556202431.db2.gz LAYCQQTXYVVFMG-UHFFFAOYSA-N 0 0 440.587 3.680 50 0 IHAARN COCCOc1ccc(Br)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O ZINC000008722911 556203695 /nfs/dbraw/zinc/20/36/95/556203695.db2.gz MYXDPMAVSRDQSO-UHFFFAOYSA-N 0 0 427.320 3.504 50 0 IHAARN CCCCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000008816091 556217421 /nfs/dbraw/zinc/21/74/21/556217421.db2.gz BEQOAYKRTWCJOF-SFHVURJKSA-N 0 0 449.617 3.665 50 0 IHAARN CC(C)N1c2ccccc2[C@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008920166 556233113 /nfs/dbraw/zinc/23/31/13/556233113.db2.gz DPFAQIJJRWCEOB-LJQANCHMSA-N 0 0 435.261 3.507 50 0 IHAARN O=C(C[C@]1(O)c2ccccc2N(CCCc2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000008922508 556233797 /nfs/dbraw/zinc/23/37/97/556233797.db2.gz NCOMPZRTNOFLDI-SANMLTNESA-N 0 0 429.472 3.855 50 0 IHAARN CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)c1 ZINC000009094741 556246139 /nfs/dbraw/zinc/24/61/39/556246139.db2.gz SVFCBLGUXYTFOC-UHFFFAOYSA-N 0 0 429.444 3.783 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)sc2c1 ZINC000009095553 556246469 /nfs/dbraw/zinc/24/64/69/556246469.db2.gz LHEAMGSSEWBYKF-ZDUSSCGKSA-N 0 0 441.509 3.704 50 0 IHAARN O=C(Nc1nnc(CSc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009191010 556253250 /nfs/dbraw/zinc/25/32/50/556253250.db2.gz CWVGUNWWLBYPDR-UHFFFAOYSA-N 0 0 428.539 3.914 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)c(OC)c1 ZINC000009196982 556254729 /nfs/dbraw/zinc/25/47/29/556254729.db2.gz SIIIEYVKRZYEFK-HXUWFJFHSA-N 0 0 430.504 3.963 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009197744 556255809 /nfs/dbraw/zinc/25/58/09/556255809.db2.gz XQWCPPHNTSRZGD-UXHICEINSA-N 0 0 439.541 3.646 50 0 IHAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O ZINC000009198222 556256241 /nfs/dbraw/zinc/25/62/41/556256241.db2.gz BYURQIULMCONBQ-OAHLLOKOSA-N 0 0 436.493 3.602 50 0 IHAARN CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199083 556256769 /nfs/dbraw/zinc/25/67/69/556256769.db2.gz TVAVUCNEZBBZAT-AWEZNQCLSA-N 0 0 445.976 3.901 50 0 IHAARN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231912 556261268 /nfs/dbraw/zinc/26/12/68/556261268.db2.gz RPKOJHQQKKZKFT-OAHLLOKOSA-N 0 0 445.313 3.546 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)cc1 ZINC000009232196 556261705 /nfs/dbraw/zinc/26/17/05/556261705.db2.gz ZIVLKCIFZPPUHV-NRFANRHFSA-N 0 0 441.531 3.959 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000009236062 556263828 /nfs/dbraw/zinc/26/38/28/556263828.db2.gz WUFUOOBIVKHMMN-UHFFFAOYSA-N 0 0 445.500 3.888 50 0 IHAARN COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000009236513 556264175 /nfs/dbraw/zinc/26/41/75/556264175.db2.gz KRRJQOYLQRUYDF-PMACEKPBSA-N 0 0 435.553 3.725 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237654 556264465 /nfs/dbraw/zinc/26/44/65/556264465.db2.gz GSFIYJRYAKUIHT-JKSUJKDBSA-N 0 0 448.321 3.886 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009260727 556268678 /nfs/dbraw/zinc/26/86/78/556268678.db2.gz BNHWHNCUHYDUKD-OAHLLOKOSA-N 0 0 440.525 3.955 50 0 IHAARN Cn1c(CNC(=O)c2ccc(F)c(Cl)c2)nc2cc(NC(=O)c3cccnc3)ccc21 ZINC000013687682 556277387 /nfs/dbraw/zinc/27/73/87/556277387.db2.gz VCGDQGXEFDKMIO-UHFFFAOYSA-N 0 0 437.862 3.943 50 0 IHAARN Cc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)ccc1Br ZINC000009320998 556280640 /nfs/dbraw/zinc/28/06/40/556280640.db2.gz OSKOEPHUUUQOKF-UHFFFAOYSA-N 0 0 437.297 3.873 50 0 IHAARN Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(Br)c1 ZINC000009321003 556280709 /nfs/dbraw/zinc/28/07/09/556280709.db2.gz IESIFBOADWDRKW-UHFFFAOYSA-N 0 0 437.297 3.873 50 0 IHAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000009321060 556280752 /nfs/dbraw/zinc/28/07/52/556280752.db2.gz MPMKUXMFZVOBPJ-UHFFFAOYSA-N 0 0 426.520 3.644 50 0 IHAARN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)C2=O ZINC000032731042 556283274 /nfs/dbraw/zinc/28/32/74/556283274.db2.gz DWRQQARYYRIRDE-INIZCTEOSA-N 0 0 434.492 3.680 50 0 IHAARN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)C2=O ZINC000032731045 556283289 /nfs/dbraw/zinc/28/32/89/556283289.db2.gz DWRQQARYYRIRDE-MRXNPFEDSA-N 0 0 434.492 3.680 50 0 IHAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccccn4)c3N2)cc1 ZINC000009410732 556288439 /nfs/dbraw/zinc/28/84/39/556288439.db2.gz QVSNFGNZVHFXDI-ZWKOTPCHSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccc(Cc2nc3c4c(C)c(C)n(Cc5ccncc5)c4ncn3n2)cc1OC ZINC000009418869 556289125 /nfs/dbraw/zinc/28/91/25/556289125.db2.gz WFJWGUFMIPNJDA-UHFFFAOYSA-N 0 0 428.496 3.747 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 ZINC000009426541 556290201 /nfs/dbraw/zinc/29/02/01/556290201.db2.gz JJJITMUETWSBPN-KRWDZBQOSA-N 0 0 436.537 3.632 50 0 IHAARN COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)c1 ZINC000013722079 556290983 /nfs/dbraw/zinc/29/09/83/556290983.db2.gz JBVNMLHABQIEEX-UHFFFAOYSA-N 0 0 443.613 3.934 50 0 IHAARN OCCn1c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2ccc(Cl)cc21 ZINC000009493434 556294808 /nfs/dbraw/zinc/29/48/08/556294808.db2.gz XSQLPUYGIDBRES-UHFFFAOYSA-N 0 0 430.873 3.753 50 0 IHAARN CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000009525850 556296410 /nfs/dbraw/zinc/29/64/10/556296410.db2.gz POMYVMDRBYNTKG-HNNXBMFYSA-N 0 0 430.888 3.582 50 0 IHAARN O=C(c1ccc(Br)cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013749243 556298781 /nfs/dbraw/zinc/29/87/81/556298781.db2.gz LSPCFHBFESVURZ-KRWDZBQOSA-N 0 0 442.762 3.932 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000032739520 556300031 /nfs/dbraw/zinc/30/00/31/556300031.db2.gz VPJGIFBCPZEDGW-GOSISDBHSA-N 0 0 435.908 3.562 50 0 IHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000032741076 556302463 /nfs/dbraw/zinc/30/24/63/556302463.db2.gz SFWVWAHAANNIMA-IBGZPJMESA-N 0 0 428.554 3.981 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3ccccc3SCC(N)=O)cc2)c1 ZINC000032741590 556303130 /nfs/dbraw/zinc/30/31/30/556303130.db2.gz YAVBIUWIRDBDFY-UHFFFAOYSA-N 0 0 449.532 3.842 50 0 IHAARN Cc1cc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)CC2)no1 ZINC000032741379 556303175 /nfs/dbraw/zinc/30/31/75/556303175.db2.gz HGSHBEOUSLMUSA-UHFFFAOYSA-N 0 0 427.508 3.794 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000032741751 556303335 /nfs/dbraw/zinc/30/33/35/556303335.db2.gz NBDUDOMOYRKIPL-UHFFFAOYSA-N 0 0 448.523 3.589 50 0 IHAARN CCCNc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000032741844 556303774 /nfs/dbraw/zinc/30/37/74/556303774.db2.gz SJBUHZFOEQHUST-UHFFFAOYSA-N 0 0 447.508 3.568 50 0 IHAARN CSc1nc2sc3c(c2c(SCC(=O)NC[C@@H]2CCCO2)n1)CC(C)(C)OC3 ZINC000013776243 556307123 /nfs/dbraw/zinc/30/71/23/556307123.db2.gz QJRSOCGBBSSHEC-NSHDSACASA-N 0 0 439.628 3.652 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3ccccc3C(=C3SC(=S)NC3=O)C2=O)cc1 ZINC000013799371 556309800 /nfs/dbraw/zinc/30/98/00/556309800.db2.gz BGEVTIXXTRHPQU-ZCXUNETKSA-N 0 0 439.518 3.770 50 0 IHAARN COc1cccc(-n2c(=O)c3cccnc3nc2SCC(=O)Nc2ccccc2F)c1 ZINC000009830400 556311003 /nfs/dbraw/zinc/31/10/03/556311003.db2.gz BCIMFHTVTWDRNH-UHFFFAOYSA-N 0 0 436.468 3.659 50 0 IHAARN CC[C@H](Sc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F ZINC000009830456 556311068 /nfs/dbraw/zinc/31/10/68/556311068.db2.gz YAQUPUZMNJQEBG-KSSFIOAISA-N 0 0 442.516 3.619 50 0 IHAARN CCCCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2C)c1=O)CCN(C(C)=O)C3 ZINC000009830564 556311304 /nfs/dbraw/zinc/31/13/04/556311304.db2.gz AUDMLZJUAARKHT-UHFFFAOYSA-N 0 0 445.972 3.880 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 ZINC000009846544 556313388 /nfs/dbraw/zinc/31/33/88/556313388.db2.gz SGVAGDQNNBFRJL-HXUWFJFHSA-N 0 0 425.460 3.943 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CCn1c(=O)oc3cc(Cl)ccc31)O[C@@H](C)C2 ZINC000032747570 556316250 /nfs/dbraw/zinc/31/62/50/556316250.db2.gz OKYGRZGWFLRMOF-ZDUSSCGKSA-N 0 0 430.888 3.677 50 0 IHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 ZINC000009934039 556317472 /nfs/dbraw/zinc/31/74/72/556317472.db2.gz HMKHVAJGZYWJAP-OAQYLSRUSA-N 0 0 439.512 3.596 50 0 IHAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCOC)cc1 ZINC000009934320 556318298 /nfs/dbraw/zinc/31/82/98/556318298.db2.gz VLKDMLGKODCSIR-LJQANCHMSA-N 0 0 429.904 3.715 50 0 IHAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000032754428 556323634 /nfs/dbraw/zinc/32/36/34/556323634.db2.gz YTWHMKFSJLNHAA-AWEZNQCLSA-N 0 0 426.941 3.534 50 0 IHAARN Cc1c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cnn1-c1ccc(=O)[nH]n1 ZINC000032754685 556324126 /nfs/dbraw/zinc/32/41/26/556324126.db2.gz YHWGFTVDAAHAHD-FQEVSTJZSA-N 0 0 438.491 3.720 50 0 IHAARN COc1ccc(C(=O)N2[C@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000010075561 556324962 /nfs/dbraw/zinc/32/49/62/556324962.db2.gz RJUCJJZVFJESCM-XPWALMASSA-N 0 0 449.551 3.593 50 0 IHAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000010076296 556325071 /nfs/dbraw/zinc/32/50/71/556325071.db2.gz FTZYCRBOIDBRDV-CYBMUJFWSA-N 0 0 434.949 3.890 50 0 IHAARN CC[C@H](C)N1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O ZINC000013881465 556326268 /nfs/dbraw/zinc/32/62/68/556326268.db2.gz RSUFHGZXWVBOEV-VQLBTBKJSA-N 0 0 433.267 3.840 50 0 IHAARN Cc1sc2ncn(CCC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c(=O)c2c1C ZINC000032776674 556326966 /nfs/dbraw/zinc/32/69/66/556326966.db2.gz KXLUUHZKPPZJJR-GOSISDBHSA-N 0 0 427.526 3.661 50 0 IHAARN Cc1sc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc(N)c2c1C ZINC000032776956 556327269 /nfs/dbraw/zinc/32/72/69/556327269.db2.gz UGNKQBCHTOVPON-SNVBAGLBSA-N 0 0 427.555 3.746 50 0 IHAARN Cc1cccc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000013895197 556328514 /nfs/dbraw/zinc/32/85/14/556328514.db2.gz SQUVNDJZGTWRBY-UHFFFAOYSA-N 0 0 436.327 3.855 50 0 IHAARN O=C(Nc1cccc(-c2nnco2)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000032777339 556329325 /nfs/dbraw/zinc/32/93/25/556329325.db2.gz JEPCFRSZUJAPAA-OAQYLSRUSA-N 0 0 438.443 3.583 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000032778053 556331169 /nfs/dbraw/zinc/33/11/69/556331169.db2.gz JZAQQFCFNMEFGI-UHFFFAOYSA-N 0 0 436.516 3.558 50 0 IHAARN COc1ccc(-c2noc(CN3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)n2)cc1 ZINC000032764703 556331975 /nfs/dbraw/zinc/33/19/75/556331975.db2.gz OGACYHLUHDGPLM-NRFANRHFSA-N 0 0 434.496 3.525 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000032774460 556336560 /nfs/dbraw/zinc/33/65/60/556336560.db2.gz TVUXMSXQCVXLNX-CQSZACIVSA-N 0 0 435.509 3.957 50 0 IHAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C ZINC000032776098 556336932 /nfs/dbraw/zinc/33/69/32/556336932.db2.gz XOUBLVYCGKYJGQ-DOTOQJQBSA-N 0 0 428.562 3.755 50 0 IHAARN COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000013940569 556337922 /nfs/dbraw/zinc/33/79/22/556337922.db2.gz PKPBUCSJUOQDGB-UHFFFAOYSA-N 0 0 430.504 3.726 50 0 IHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000011556098 556341999 /nfs/dbraw/zinc/34/19/99/556341999.db2.gz SPKXXSUJSZHXRC-UHFFFAOYSA-N 0 0 441.578 3.773 50 0 IHAARN COc1ccc(/C=C/C(=O)n2cnc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000011617283 556342871 /nfs/dbraw/zinc/34/28/71/556342871.db2.gz UVARDGDFZAIKSY-ZRDIBKRKSA-N 0 0 425.510 3.573 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000011661644 556343024 /nfs/dbraw/zinc/34/30/24/556343024.db2.gz MPEWLIGEGFKERL-MRXNPFEDSA-N 0 0 428.982 3.548 50 0 IHAARN CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000013949188 556344122 /nfs/dbraw/zinc/34/41/22/556344122.db2.gz RUWBFJZXXNFKJE-CALCHBBNSA-N 0 0 436.599 3.716 50 0 IHAARN CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccccc1C(=O)OC ZINC000032780971 556346428 /nfs/dbraw/zinc/34/64/28/556346428.db2.gz OFWXPUTTZFYNPK-LJQANCHMSA-N 0 0 428.510 3.681 50 0 IHAARN CCOc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000032787263 556350293 /nfs/dbraw/zinc/35/02/93/556350293.db2.gz HUPASPDHYNWUOT-UHFFFAOYSA-N 0 0 442.512 3.524 50 0 IHAARN CSc1nnc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1-c1ccccc1C ZINC000011786015 556353515 /nfs/dbraw/zinc/35/35/15/556353515.db2.gz SUGIDDNTOBQYLM-UHFFFAOYSA-N 0 0 446.580 3.959 50 0 IHAARN Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC3)n1 ZINC000011786867 556353912 /nfs/dbraw/zinc/35/39/12/556353912.db2.gz BYEXBPYTMBDDQJ-LAUBAEHRSA-N 0 0 441.959 3.756 50 0 IHAARN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789776 556355257 /nfs/dbraw/zinc/35/52/57/556355257.db2.gz RYXGTXZXFKJKCG-QVKFZJNVSA-N 0 0 436.462 3.936 50 0 IHAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000014018563 556356230 /nfs/dbraw/zinc/35/62/30/556356230.db2.gz SQAWBWXGYKHGCU-UHFFFAOYSA-N 0 0 444.866 3.970 50 0 IHAARN CN(CC(=O)N1CCOCC1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000014077569 556362532 /nfs/dbraw/zinc/36/25/32/556362532.db2.gz VGIKFKJYPRCGMS-UHFFFAOYSA-N 0 0 445.548 3.715 50 0 IHAARN COc1ccc(-n2ccnc2SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000014092887 556365674 /nfs/dbraw/zinc/36/56/74/556365674.db2.gz ZGIMPZWAEMUAAD-UHFFFAOYSA-N 0 0 447.564 3.876 50 0 IHAARN CCOc1c(Br)cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC ZINC000014121398 556372319 /nfs/dbraw/zinc/37/23/19/556372319.db2.gz AKYYHRLHLFAOKG-UHFFFAOYSA-N 0 0 449.345 3.941 50 0 IHAARN COc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC ZINC000014123106 556372442 /nfs/dbraw/zinc/37/24/42/556372442.db2.gz STBRSQRDFWHYGC-UHFFFAOYSA-N 0 0 432.542 3.748 50 0 IHAARN Cc1ccccc1CC(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000011880762 556372816 /nfs/dbraw/zinc/37/28/16/556372816.db2.gz ZAGDDVDMYSNFJE-QFIPXVFZSA-N 0 0 435.545 3.728 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000014128946 556374268 /nfs/dbraw/zinc/37/42/68/556374268.db2.gz CRKWDEYXHSYLPV-UHFFFAOYSA-N 0 0 443.525 3.563 50 0 IHAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011913601 556376259 /nfs/dbraw/zinc/37/62/59/556376259.db2.gz QVDVFVAQXZKDNJ-QHCPKHFHSA-N 0 0 444.579 3.792 50 0 IHAARN Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011916983 556376398 /nfs/dbraw/zinc/37/63/98/556376398.db2.gz YDAFQTWDAMHXAE-IBGZPJMESA-N 0 0 442.512 3.927 50 0 IHAARN C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000014168959 556380834 /nfs/dbraw/zinc/38/08/34/556380834.db2.gz PNOWRPVDLVYQCU-HXUWFJFHSA-N 0 0 439.515 3.603 50 0 IHAARN Cc1nc([C@H](C)NC(=O)[C@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)cs1 ZINC000011964115 556381389 /nfs/dbraw/zinc/38/13/89/556381389.db2.gz RJIZVZOZHDIXNY-CABZTGNLSA-N 0 0 446.579 3.844 50 0 IHAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1ccccc1Cl)C2)c1ccco1 ZINC000011963198 556381423 /nfs/dbraw/zinc/38/14/23/556381423.db2.gz GNDHULRXSFYIME-CYBMUJFWSA-N 0 0 443.912 3.746 50 0 IHAARN Cc1nc([C@H](C)NC(=O)COc2ccc(N(C)Cc3ccc(F)cc3)nn2)c(C)s1 ZINC000011997451 556384596 /nfs/dbraw/zinc/38/45/96/556384596.db2.gz VLHOMUVGRLIINX-ZDUSSCGKSA-N 0 0 429.521 3.582 50 0 IHAARN CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014184681 556384812 /nfs/dbraw/zinc/38/48/12/556384812.db2.gz JTACEEUJJBHXDS-UHFFFAOYSA-N 0 0 426.888 3.628 50 0 IHAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3cccs3)C2)c(OC)c1 ZINC000012000899 556385609 /nfs/dbraw/zinc/38/56/09/556385609.db2.gz GGBVJDUAWVGPHQ-KRWDZBQOSA-N 0 0 430.570 3.643 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)o1 ZINC000014187150 556386401 /nfs/dbraw/zinc/38/64/01/556386401.db2.gz ZZABBDCSUSVBIH-UHFFFAOYSA-N 0 0 444.475 3.666 50 0 IHAARN Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)o1 ZINC000012030325 556388619 /nfs/dbraw/zinc/38/86/19/556388619.db2.gz BGBMLHVSPZVTMI-DEOSSOPVSA-N 0 0 431.536 3.604 50 0 IHAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000012035601 556389793 /nfs/dbraw/zinc/38/97/93/556389793.db2.gz YMKDNKVQHUCYQQ-DEOSSOPVSA-N 0 0 443.588 3.593 50 0 IHAARN CNC(=O)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 ZINC000014200104 556390894 /nfs/dbraw/zinc/39/08/94/556390894.db2.gz TZASCZOYHXKRQF-HXUWFJFHSA-N 0 0 446.532 3.569 50 0 IHAARN CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014200641 556391141 /nfs/dbraw/zinc/39/11/41/556391141.db2.gz OQZDFEAVRLJXJP-UHFFFAOYSA-N 0 0 426.563 3.708 50 0 IHAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 ZINC000012062099 556395154 /nfs/dbraw/zinc/39/51/54/556395154.db2.gz SBMKAUHOEPJKDG-IBGZPJMESA-N 0 0 446.551 3.968 50 0 IHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1nn(-c2cccc(C)c2)ccc1=O ZINC000012062541 556395679 /nfs/dbraw/zinc/39/56/79/556395679.db2.gz FMOOYRNUMNOVRP-UHFFFAOYSA-N 0 0 439.493 3.542 50 0 IHAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012076688 556397927 /nfs/dbraw/zinc/39/79/27/556397927.db2.gz YKSGZJMQJBTVCR-FQEVSTJZSA-N 0 0 427.589 3.799 50 0 IHAARN COC[C@@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccccn1)Sc1ccccc1-2 ZINC000012079515 556398306 /nfs/dbraw/zinc/39/83/06/556398306.db2.gz MEYHZHZJZHLGBH-QRQCRPRQSA-N 0 0 435.549 3.695 50 0 IHAARN COC[C@@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccnc1)Sc1ccccc1-2 ZINC000012078818 556398308 /nfs/dbraw/zinc/39/83/08/556398308.db2.gz WHXMJEFAWXWROO-IVZQSRNASA-N 0 0 435.549 3.695 50 0 IHAARN CC(=O)c1ccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)s1 ZINC000012079465 556398361 /nfs/dbraw/zinc/39/83/61/556398361.db2.gz GGOUVXAGTMQUBH-MRXNPFEDSA-N 0 0 425.485 3.897 50 0 IHAARN Cc1c(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)[nH]c2c1C(=O)CCC2 ZINC000014234869 556399116 /nfs/dbraw/zinc/39/91/16/556399116.db2.gz MFYMAXDIDREYLD-UHFFFAOYSA-N 0 0 434.565 3.924 50 0 IHAARN Cc1ccc2oc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)cc(=O)c2c1 ZINC000014241591 556402015 /nfs/dbraw/zinc/40/20/15/556402015.db2.gz NOLRROMFEZPEIE-UHFFFAOYSA-N 0 0 435.486 3.985 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000014241614 556402084 /nfs/dbraw/zinc/40/20/84/556402084.db2.gz JMWRWXSCTMCDIL-JOCHJYFZSA-N 0 0 441.553 3.620 50 0 IHAARN Cc1cc(C(=O)COc2ccc(C)cc2Br)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000014241921 556402305 /nfs/dbraw/zinc/40/23/05/556402305.db2.gz RYHIACYJUGEROW-HNNXBMFYSA-N 0 0 440.359 3.797 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1NC(C)=O ZINC000014242044 556402646 /nfs/dbraw/zinc/40/26/46/556402646.db2.gz YTZPSAYUTOYGBT-UHFFFAOYSA-N 0 0 426.897 3.799 50 0 IHAARN COc1ccc([C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccccc2)cc1 ZINC000014244596 556404221 /nfs/dbraw/zinc/40/42/21/556404221.db2.gz RIGAVQJPFYAWJD-XMMPIXPASA-N 0 0 431.492 3.828 50 0 IHAARN COc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000014246684 556406589 /nfs/dbraw/zinc/40/65/89/556406589.db2.gz BMYDNBCVGFEZDV-UHFFFAOYSA-N 0 0 446.573 3.824 50 0 IHAARN CNc1nc(-n2cnc(SCc3ccc(Cl)cc3)n2)nc(N2CCCCCC2)n1 ZINC000032598664 556408080 /nfs/dbraw/zinc/40/80/80/556408080.db2.gz JETUWCWETCRJLB-UHFFFAOYSA-N 0 0 430.969 3.820 50 0 IHAARN Cc1nc2ccccc2nc1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000032824097 556408786 /nfs/dbraw/zinc/40/87/86/556408786.db2.gz NQBAYBXKCXWVFD-UHFFFAOYSA-N 0 0 440.750 3.875 50 0 IHAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622076 556409399 /nfs/dbraw/zinc/40/93/99/556409399.db2.gz JHBFIOMQPZAYNK-HSZRJFAPSA-N 0 0 432.520 3.623 50 0 IHAARN COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 ZINC000032623724 556410983 /nfs/dbraw/zinc/41/09/83/556410983.db2.gz PBJXZBQPXGZLBT-UHFFFAOYSA-N 0 0 432.885 3.640 50 0 IHAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1 ZINC000032827846 556411460 /nfs/dbraw/zinc/41/14/60/556411460.db2.gz MBWKUXGPCISNNT-QGZVFWFLSA-N 0 0 428.496 3.507 50 0 IHAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000014332438 556413506 /nfs/dbraw/zinc/41/35/06/556413506.db2.gz YYBUNZOQKHTBLT-UHFFFAOYSA-N 0 0 431.315 3.556 50 0 IHAARN CN(C)S(=O)(=O)c1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000014358407 556414124 /nfs/dbraw/zinc/41/41/24/556414124.db2.gz LJOVILWSCLXAPA-UHFFFAOYSA-N 0 0 435.855 3.660 50 0 IHAARN Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc2ccccc12 ZINC000032831392 556417333 /nfs/dbraw/zinc/41/73/33/556417333.db2.gz MZGXDJITEWOYJK-KRWDZBQOSA-N 0 0 445.306 3.867 50 0 IHAARN CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000012971657 556418816 /nfs/dbraw/zinc/41/88/16/556418816.db2.gz LPJQNNRUNNKHLI-UHFFFAOYSA-N 0 0 446.164 3.662 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000012976005 556421634 /nfs/dbraw/zinc/42/16/34/556421634.db2.gz JCLIAGFNWUJQIC-LBPRGKRZSA-N 0 0 432.329 3.638 50 0 IHAARN CCn1c2ncc(N[C@@H](C)CC(F)(F)F)cc2c(NC(=O)[C@@H]2CCOC2)c1C(=O)OC ZINC000014538776 556424656 /nfs/dbraw/zinc/42/46/56/556424656.db2.gz QEYIGZHCCNKZLU-NWDGAFQWSA-N 0 0 442.438 3.571 50 0 IHAARN Cc1ccc(OCCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000012982673 556425074 /nfs/dbraw/zinc/42/50/74/556425074.db2.gz KOPOSRNBNQIWSS-UHFFFAOYSA-N 0 0 429.948 3.590 50 0 IHAARN Cc1ccc(-c2csc3[nH]c(CN4CCN(C(=O)c5ccco5)CC4)nc(=O)c23)s1 ZINC000012987501 556427694 /nfs/dbraw/zinc/42/76/94/556427694.db2.gz SWGHXUOGJRNXCW-UHFFFAOYSA-N 0 0 440.550 3.573 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C ZINC000012993885 556429698 /nfs/dbraw/zinc/42/96/98/556429698.db2.gz QIWBTCUNDSTLJW-UHFFFAOYSA-N 0 0 439.581 3.777 50 0 IHAARN CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012994485 556430020 /nfs/dbraw/zinc/43/00/20/556430020.db2.gz VTEWGVYIXPBCKK-HSZRJFAPSA-N 0 0 442.581 3.850 50 0 IHAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000012996700 556431257 /nfs/dbraw/zinc/43/12/57/556431257.db2.gz SICOHBUCNFYAFL-UHFFFAOYSA-N 0 0 433.556 3.726 50 0 IHAARN COc1ccccc1COC[C@H](O)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000012996529 556431293 /nfs/dbraw/zinc/43/12/93/556431293.db2.gz JFEZCEDUOUPBOQ-HXUWFJFHSA-N 0 0 434.467 3.789 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000012998796 556432296 /nfs/dbraw/zinc/43/22/96/556432296.db2.gz GTKAQHJSWUEEHE-UHFFFAOYSA-N 0 0 437.477 3.974 50 0 IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)no1 ZINC000011025584 556434633 /nfs/dbraw/zinc/43/46/33/556434633.db2.gz GZJDNCLUYHPVAO-UHFFFAOYSA-N 0 0 428.539 3.525 50 0 IHAARN Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000011025679 556434962 /nfs/dbraw/zinc/43/49/62/556434962.db2.gz IRMMVGBOYCYWNH-UHFFFAOYSA-N 0 0 433.574 3.691 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(S(C)(=O)=O)cc4)cc3C2=O)c1 ZINC000014727230 556436024 /nfs/dbraw/zinc/43/60/24/556436024.db2.gz FNJHGPVNHXWCOX-UHFFFAOYSA-N 0 0 448.500 3.760 50 0 IHAARN Cc1cc(C)cc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 ZINC000013012254 556436312 /nfs/dbraw/zinc/43/63/12/556436312.db2.gz ZABOEIFQJYUTTK-UHFFFAOYSA-N 0 0 425.293 3.924 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1 ZINC000013015210 556437293 /nfs/dbraw/zinc/43/72/93/556437293.db2.gz LFZOBKOVMUQZQF-UHFFFAOYSA-N 0 0 442.475 3.755 50 0 IHAARN O=C(CCc1ccccn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 ZINC000014749321 556442539 /nfs/dbraw/zinc/44/25/39/556442539.db2.gz KWFYHYGVVZXYEP-DEOSSOPVSA-N 0 0 435.568 3.603 50 0 IHAARN Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1Cl ZINC000028289805 556449219 /nfs/dbraw/zinc/44/92/19/556449219.db2.gz NUYXVPPSJTXMMI-LJQANCHMSA-N 0 0 426.900 3.558 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCOCC2)cc1 ZINC000028289493 556449262 /nfs/dbraw/zinc/44/92/62/556449262.db2.gz OFKFZGYOOIUZFM-LJQANCHMSA-N 0 0 426.900 3.558 50 0 IHAARN COC[C@H](C)NC(=S)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000013057968 556449394 /nfs/dbraw/zinc/44/93/94/556449394.db2.gz USQITYHTFRBVAH-KXBFYZLASA-N 0 0 427.570 3.816 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000032868862 556449553 /nfs/dbraw/zinc/44/95/53/556449553.db2.gz QWLCKQZSYKPJKQ-UHFFFAOYSA-N 0 0 444.465 3.958 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(OC)c(C)c1 ZINC000032869168 556450036 /nfs/dbraw/zinc/45/00/36/556450036.db2.gz WGOMAOYVGKEKKB-NRFANRHFSA-N 0 0 440.521 3.658 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000014847166 556450058 /nfs/dbraw/zinc/45/00/58/556450058.db2.gz VNPBPXWACJBFPM-UHFFFAOYSA-N 0 0 449.580 3.965 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000013059358 556450167 /nfs/dbraw/zinc/45/01/67/556450167.db2.gz VUSSWGRQHUMMLP-MRXNPFEDSA-N 0 0 436.522 3.787 50 0 IHAARN Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)c1 ZINC000013063519 556451984 /nfs/dbraw/zinc/45/19/84/556451984.db2.gz RZMTYLBFEZIKBU-UHFFFAOYSA-N 0 0 447.564 3.810 50 0 IHAARN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1Cl ZINC000028330969 556452747 /nfs/dbraw/zinc/45/27/47/556452747.db2.gz HPWRMHJNLFTRLJ-QGZVFWFLSA-N 0 0 435.929 3.882 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013074859 556455274 /nfs/dbraw/zinc/45/52/74/556455274.db2.gz FXENOZQUODGJDS-MRXNPFEDSA-N 0 0 446.878 3.828 50 0 IHAARN Cc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000013096107 556456990 /nfs/dbraw/zinc/45/69/90/556456990.db2.gz DTHCUZPKCMIBLI-UHFFFAOYSA-N 0 0 440.569 3.628 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c(C)c1 ZINC000032869292 556457661 /nfs/dbraw/zinc/45/76/61/556457661.db2.gz GKKQCSUWTCDLQO-CQSZACIVSA-N 0 0 430.423 3.585 50 0 IHAARN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000072277534 556458724 /nfs/dbraw/zinc/45/87/24/556458724.db2.gz BEHAZINAVGTMRF-MZNJEOGPSA-N 0 0 427.545 3.591 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1N)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000013101243 556460425 /nfs/dbraw/zinc/46/04/25/556460425.db2.gz LRLQYAFLSVFQIY-VHSXEESVSA-N 0 0 444.611 3.997 50 0 IHAARN C[C@H](Sc1nnc(-c2cccs2)n1N)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000013101245 556460459 /nfs/dbraw/zinc/46/04/59/556460459.db2.gz LRLQYAFLSVFQIY-ZJUUUORDSA-N 0 0 444.611 3.997 50 0 IHAARN Cc1nc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)sc1CC(N)=O ZINC000032871380 556462633 /nfs/dbraw/zinc/46/26/33/556462633.db2.gz DGGIFGNIEFEDMX-SFHVURJKSA-N 0 0 435.571 3.678 50 0 IHAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000014957321 556462808 /nfs/dbraw/zinc/46/28/08/556462808.db2.gz DYGLOOYQTXOVAR-UHFFFAOYSA-N 0 0 440.429 3.803 50 0 IHAARN CC(C)CN(C)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O ZINC000014960738 556463768 /nfs/dbraw/zinc/46/37/68/556463768.db2.gz VACPHFOLVRYNNS-HXUWFJFHSA-N 0 0 445.604 3.598 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000014967753 556466048 /nfs/dbraw/zinc/46/60/48/556466048.db2.gz DWUQFXUKOOZPGR-DEOSSOPVSA-N 0 0 429.488 3.871 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCC[C@H]2c2nnc3ccccn32)CC1 ZINC000029072352 556466590 /nfs/dbraw/zinc/46/65/90/556466590.db2.gz GYGGUVVVWCRJFN-IBGZPJMESA-N 0 0 437.931 3.599 50 0 IHAARN Cn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000013119913 556472060 /nfs/dbraw/zinc/47/20/60/556472060.db2.gz PYSQBFPDVJIRAC-UHFFFAOYSA-N 0 0 446.617 3.520 50 0 IHAARN O=C(CCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000029317332 556472182 /nfs/dbraw/zinc/47/21/82/556472182.db2.gz ISDOOGFAWKBUJC-UHFFFAOYSA-N 0 0 447.304 3.536 50 0 IHAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000013121443 556474178 /nfs/dbraw/zinc/47/41/78/556474178.db2.gz QIPWWGMFDTYGJO-CHWSQXEVSA-N 0 0 445.472 3.874 50 0 IHAARN Cc1nnc(CN(C)[C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)o1 ZINC000014991222 556475011 /nfs/dbraw/zinc/47/50/11/556475011.db2.gz BVZNNPUTWPZTCB-SFHVURJKSA-N 0 0 449.580 3.772 50 0 IHAARN COc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2Cc2ccccc2)cc1 ZINC000014996146 556478046 /nfs/dbraw/zinc/47/80/46/556478046.db2.gz SJHBPEHHBUJPDJ-UHFFFAOYSA-N 0 0 445.548 3.952 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000029632496 556479370 /nfs/dbraw/zinc/47/93/70/556479370.db2.gz JJBZCLVHZMXVFC-UHFFFAOYSA-N 0 0 433.556 3.874 50 0 IHAARN O=C(CSc1ncccc1C(=O)N1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 ZINC000013131075 556480059 /nfs/dbraw/zinc/48/00/59/556480059.db2.gz OZPAJXHIWLCINL-UHFFFAOYSA-N 0 0 447.516 3.740 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000029755312 556481483 /nfs/dbraw/zinc/48/14/83/556481483.db2.gz NUMXNJRKQRWHRL-QFIPXVFZSA-N 0 0 429.423 3.616 50 0 IHAARN COCCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000013134107 556482003 /nfs/dbraw/zinc/48/20/03/556482003.db2.gz SXAMRFIWUXFQFV-UHFFFAOYSA-N 0 0 448.475 3.874 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015008437 556482572 /nfs/dbraw/zinc/48/25/72/556482572.db2.gz OLQBMNDOKOTNLY-UHFFFAOYSA-N 0 0 447.351 3.689 50 0 IHAARN O=C(NCCCSc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000013134892 556482884 /nfs/dbraw/zinc/48/28/84/556482884.db2.gz VLFPEYIZCKTXAN-UHFFFAOYSA-N 0 0 436.574 3.525 50 0 IHAARN O=C(COC(=O)CCCSc1nc2ccccc2s1)NC(=O)Cc1ccccc1 ZINC000013135084 556483184 /nfs/dbraw/zinc/48/31/84/556483184.db2.gz WRWBJCAMIDAZLN-UHFFFAOYSA-N 0 0 428.535 3.597 50 0 IHAARN CN(c1ccc(OC(=O)c2cc(=O)[nH]c3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000013137142 556484002 /nfs/dbraw/zinc/48/40/02/556484002.db2.gz XJUDGIHWBXLADB-UHFFFAOYSA-N 0 0 434.473 3.572 50 0 IHAARN COc1cc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc(OC)c1C ZINC000029854414 556484476 /nfs/dbraw/zinc/48/44/76/556484476.db2.gz KVZHAQRWAUPKGF-UHFFFAOYSA-N 0 0 427.526 3.687 50 0 IHAARN Cn1cc([C@@H]2[C@H](c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CCC(=O)N2C)cn1 ZINC000072289741 556484871 /nfs/dbraw/zinc/48/48/71/556484871.db2.gz PKQZWCCWQMZPAM-IFMALSPDSA-N 0 0 444.495 3.521 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000013138154 556485037 /nfs/dbraw/zinc/48/50/37/556485037.db2.gz GLBYBSLFEWGSGO-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000013138776 556485402 /nfs/dbraw/zinc/48/54/02/556485402.db2.gz NIACPDWVLRKFCV-HNNXBMFYSA-N 0 0 429.325 3.703 50 0 IHAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(SCC)s1 ZINC000013140068 556485712 /nfs/dbraw/zinc/48/57/12/556485712.db2.gz RXHSNLFHBLKZDB-UHFFFAOYSA-N 0 0 433.602 3.940 50 0 IHAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029894844 556485881 /nfs/dbraw/zinc/48/58/81/556485881.db2.gz UQMHDXXCWHAUIO-HSZRJFAPSA-N 0 0 445.494 3.652 50 0 IHAARN Cc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccn3)CC2)cc1 ZINC000015017773 556486807 /nfs/dbraw/zinc/48/68/07/556486807.db2.gz QQVZPBOOJKLMCV-XNMGPUDCSA-N 0 0 440.547 3.978 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000029940072 556486979 /nfs/dbraw/zinc/48/69/79/556486979.db2.gz HGBAYCHLWDHBJE-SNVBAGLBSA-N 0 0 448.285 3.944 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)c1 ZINC000013141652 556486959 /nfs/dbraw/zinc/48/69/59/556486959.db2.gz QCSNMAXYTNXOHE-FQEVSTJZSA-N 0 0 437.945 3.686 50 0 IHAARN C[C@@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019127 556487558 /nfs/dbraw/zinc/48/75/58/556487558.db2.gz CLRPZTSERMTHGS-ZDUSSCGKSA-N 0 0 442.928 3.930 50 0 IHAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1F ZINC000015020330 556488055 /nfs/dbraw/zinc/48/80/55/556488055.db2.gz BPYBLTSUDGDTGA-HZPDHXFCSA-N 0 0 434.533 3.967 50 0 IHAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000032876514 556488794 /nfs/dbraw/zinc/48/87/94/556488794.db2.gz IYSPJNXWFCWDKQ-UHFFFAOYSA-N 0 0 436.924 3.843 50 0 IHAARN Cc1ccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(C)c1 ZINC000030031896 556489831 /nfs/dbraw/zinc/48/98/31/556489831.db2.gz UESPZRDKIMSYPC-UHFFFAOYSA-N 0 0 439.566 3.538 50 0 IHAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000030219835 556491581 /nfs/dbraw/zinc/49/15/81/556491581.db2.gz LKUUSRQIJJJJND-UHFFFAOYSA-N 0 0 438.509 3.714 50 0 IHAARN COc1ccc(-c2noc(CN3CCOc4ccc(Cl)cc4C3)n2)c(OC)c1OC ZINC000015065131 556492430 /nfs/dbraw/zinc/49/24/30/556492430.db2.gz VWFVJBSGBWOAMN-UHFFFAOYSA-N 0 0 431.876 3.810 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3cccnc3N3CCOCC3)c3c(C)noc3n2)s1 ZINC000030310625 556492731 /nfs/dbraw/zinc/49/27/31/556492731.db2.gz MJMUIORMNWLHGI-UHFFFAOYSA-N 0 0 449.536 3.730 50 0 IHAARN CC(C)S(=O)(=O)c1ncc(CN(C)[C@@H](C)c2nccs2)n1CCc1ccccc1 ZINC000015065795 556492752 /nfs/dbraw/zinc/49/27/52/556492752.db2.gz ZMPCGHVJUHKGBU-KRWDZBQOSA-N 0 0 432.615 3.957 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 ZINC000015066459 556492947 /nfs/dbraw/zinc/49/29/47/556492947.db2.gz PHHNHTVYNNNZAQ-DEOSSOPVSA-N 0 0 443.565 3.774 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nnnn2C2CC2)c2ccccc2)cc1 ZINC000030341905 556493017 /nfs/dbraw/zinc/49/30/17/556493017.db2.gz BZYWCTVKGIFUOY-IBGZPJMESA-N 0 0 429.571 3.518 50 0 IHAARN COC(=O)c1ccc2c(c1)nc(COC(=O)C1(c3ccc(Cl)cc3)CCCC1)[nH]c2=O ZINC000013163555 556494019 /nfs/dbraw/zinc/49/40/19/556494019.db2.gz JUFOHVINYDGOGN-UHFFFAOYSA-N 0 0 440.883 3.918 50 0 IHAARN c1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)cc1 ZINC000013163868 556494694 /nfs/dbraw/zinc/49/46/94/556494694.db2.gz PMIDQXAEPYGTBN-UHFFFAOYSA-N 0 0 434.525 3.505 50 0 IHAARN Cc1csc(CC(=O)N2CCN([C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)n1 ZINC000013164675 556496975 /nfs/dbraw/zinc/49/69/75/556496975.db2.gz SWHMQOQKXFOWED-DEOSSOPVSA-N 0 0 448.592 3.827 50 0 IHAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000015074760 556498397 /nfs/dbraw/zinc/49/83/97/556498397.db2.gz KNYDOZRZHUGHRL-UHFFFAOYSA-N 0 0 447.583 3.731 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cc1OC ZINC000030583426 556498719 /nfs/dbraw/zinc/49/87/19/556498719.db2.gz RLAWZGWJKFUQDA-KRWDZBQOSA-N 0 0 434.945 3.579 50 0 IHAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000015077183 556499553 /nfs/dbraw/zinc/49/95/53/556499553.db2.gz GWUZMCPLKBUZHZ-FQEVSTJZSA-N 0 0 443.862 3.844 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)[C@H]3CCC1 ZINC000015083486 556501730 /nfs/dbraw/zinc/50/17/30/556501730.db2.gz JMWFDOWRWFSACC-QFIPXVFZSA-N 0 0 435.549 3.916 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000013371440 556503426 /nfs/dbraw/zinc/50/34/26/556503426.db2.gz WVYVHLXXFJIMHR-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN CCCCS(=O)(=O)CCn1c2ccccc2n(CCS(=O)(=O)CCCC)c1=S ZINC000015109449 556504876 /nfs/dbraw/zinc/50/48/76/556504876.db2.gz WPULRWYYJCGALW-UHFFFAOYSA-N 0 0 446.660 3.602 50 0 IHAARN c1coc(CNc2nnc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)s2)c1 ZINC000030795737 556506083 /nfs/dbraw/zinc/50/60/83/556506083.db2.gz BPBRINALYKBVNP-GFCCVEGCSA-N 0 0 429.556 3.836 50 0 IHAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000030828568 556507125 /nfs/dbraw/zinc/50/71/25/556507125.db2.gz NWCAGZYWQBKXBW-YVLHZVERSA-N 0 0 448.903 3.631 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000013470905 556507640 /nfs/dbraw/zinc/50/76/40/556507640.db2.gz GDMBPHJNTUKHHI-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN O=C(NCCc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015183376 556508728 /nfs/dbraw/zinc/50/87/28/556508728.db2.gz GQOAMXPOWCJWBG-UHFFFAOYSA-N 0 0 434.439 3.877 50 0 IHAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2ncc(-c3ccccc3)nn2)nc1C ZINC000013494697 556508805 /nfs/dbraw/zinc/50/88/05/556508805.db2.gz RBTHJVCJFAKFRB-HNNXBMFYSA-N 0 0 443.554 3.990 50 0 IHAARN COc1ccc(NC(=O)c2ccc(COc3ccccc3C(=O)N3CCOCC3)cc2)cc1 ZINC000032883590 556509634 /nfs/dbraw/zinc/50/96/34/556509634.db2.gz GMLVMEUWLHYQRD-UHFFFAOYSA-N 0 0 446.503 3.999 50 0 IHAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000015223447 556512097 /nfs/dbraw/zinc/51/20/97/556512097.db2.gz OYOFDPDPDUNBEF-BFUOFWGJSA-N 0 0 449.334 3.849 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(I)c1 ZINC000015305086 556517441 /nfs/dbraw/zinc/51/74/41/556517441.db2.gz QWZFPIYUAUUZDU-UHFFFAOYSA-N 0 0 425.222 3.520 50 0 IHAARN O=C(Cn1nc(-c2cccs2)oc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000030971588 556518571 /nfs/dbraw/zinc/51/85/71/556518571.db2.gz LPIVJIZJJFCHEQ-ZDUSSCGKSA-N 0 0 426.479 3.597 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000015318903 556519879 /nfs/dbraw/zinc/51/98/79/556519879.db2.gz YFTZORKELJVXCX-HXUWFJFHSA-N 0 0 447.491 3.516 50 0 IHAARN COc1ccc(Oc2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)ccc2OC)cc1 ZINC000032892795 556520359 /nfs/dbraw/zinc/52/03/59/556520359.db2.gz IWPXCSMRJUEGKD-UHFFFAOYSA-N 0 0 435.436 3.897 50 0 IHAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(OC)c(OC)c1 ZINC000013568943 556521161 /nfs/dbraw/zinc/52/11/61/556521161.db2.gz IDQLFNNFJDVHEF-UHFFFAOYSA-N 0 0 438.553 3.659 50 0 IHAARN COc1cc(C)c(C(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)cc1C ZINC000013568946 556521291 /nfs/dbraw/zinc/52/12/91/556521291.db2.gz DJQJFQHVDACUJF-UHFFFAOYSA-N 0 0 442.516 3.736 50 0 IHAARN Cc1oc(-c2cccs2)nc1CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000032893564 556521327 /nfs/dbraw/zinc/52/13/27/556521327.db2.gz YVZWNWHUPKTBDC-OAHLLOKOSA-N 0 0 447.586 3.611 50 0 IHAARN Cc1cc(Br)ccc1NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000015332795 556521885 /nfs/dbraw/zinc/52/18/85/556521885.db2.gz CWBHHZMVBKESIA-KRWDZBQOSA-N 0 0 443.407 3.518 50 0 IHAARN Cc1ccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccc(O)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000013574178 556524710 /nfs/dbraw/zinc/52/47/10/556524710.db2.gz AEHZZYYWBBKBDI-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)s1 ZINC000013577195 556526742 /nfs/dbraw/zinc/52/67/42/556526742.db2.gz RRIDXRXZUNFBFX-FQEVSTJZSA-N 0 0 449.370 3.761 50 0 IHAARN CCCCCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nnnn32)cc1OC ZINC000004424129 556526829 /nfs/dbraw/zinc/52/68/29/556526829.db2.gz VLUBTUSTOSIHSP-FQEVSTJZSA-N 0 0 429.521 3.881 50 0 IHAARN CCCCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nnnn32)cc1OC ZINC000004424126 556526897 /nfs/dbraw/zinc/52/68/97/556526897.db2.gz VLUBTUSTOSIHSP-HXUWFJFHSA-N 0 0 429.521 3.881 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1 ZINC000013592525 556530620 /nfs/dbraw/zinc/53/06/20/556530620.db2.gz WNBYOTQTXVLNOB-UHFFFAOYSA-N 0 0 432.855 3.539 50 0 IHAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000015497200 556531350 /nfs/dbraw/zinc/53/13/50/556531350.db2.gz LOVVNZWYQPZMNN-GOSISDBHSA-N 0 0 429.586 3.844 50 0 IHAARN COC(=O)c1c(C)n(C2CC2)c2ccc(OS(=O)(=O)c3cccc(C(=O)OC)c3)cc21 ZINC000032900076 556531990 /nfs/dbraw/zinc/53/19/90/556531990.db2.gz GHLCELSXCSYLGX-UHFFFAOYSA-N 0 0 443.477 3.626 50 0 IHAARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1C ZINC000013601928 556532596 /nfs/dbraw/zinc/53/25/96/556532596.db2.gz VSKJDWYVJYLRDV-KRWDZBQOSA-N 0 0 437.290 3.634 50 0 IHAARN CCS(=O)(=O)N(Cc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1 ZINC000013608070 556533595 /nfs/dbraw/zinc/53/35/95/556533595.db2.gz NLVRGSIYRPZVOX-UHFFFAOYSA-N 0 0 436.331 3.851 50 0 IHAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCCN3CCCC3=O)CO2)cc1 ZINC000013608248 556533848 /nfs/dbraw/zinc/53/38/48/556533848.db2.gz CWTCPCRCWDATIB-UHFFFAOYSA-N 0 0 434.492 3.633 50 0 biogenic IHAARN Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000015546029 556534147 /nfs/dbraw/zinc/53/41/47/556534147.db2.gz YHLLDUMKLJPULW-OAQYLSRUSA-N 0 0 427.932 3.867 50 0 IHAARN C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-n2ccnc2)cc1 ZINC000015565855 556535379 /nfs/dbraw/zinc/53/53/79/556535379.db2.gz FVOIBDGKOXPMDE-HNNXBMFYSA-N 0 0 447.564 3.859 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)c(OC)c1 ZINC000013618022 556535912 /nfs/dbraw/zinc/53/59/12/556535912.db2.gz DTNPNBIWYQTCDQ-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000032901527 556536814 /nfs/dbraw/zinc/53/68/14/556536814.db2.gz CBKATYDWOHSNHF-YVHKJVDXSA-N 0 0 446.544 3.601 50 0 IHAARN C[C@H](OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 ZINC000032901669 556537233 /nfs/dbraw/zinc/53/72/33/556537233.db2.gz JEFHCAJZXTWUHG-ZUZCIYMTSA-N 0 0 430.873 3.892 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N(c1ccccc1)C1CCCCC1 ZINC000015634517 556539328 /nfs/dbraw/zinc/53/93/28/556539328.db2.gz BTCSZLDWPQKZJT-RUZDIDTESA-N 0 0 433.508 3.582 50 0 IHAARN COc1ccccc1[C@@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000013637305 556541526 /nfs/dbraw/zinc/54/15/26/556541526.db2.gz KUUYSFDILVBILD-XMMPIXPASA-N 0 0 443.551 3.843 50 0 IHAARN O=C1C[C@@H](N(Cc2ccco2)C(=S)NCCc2ccccc2)C(=O)N1c1ccccc1 ZINC000015660064 556541626 /nfs/dbraw/zinc/54/16/26/556541626.db2.gz SLHDGCGPLJLXPG-OAQYLSRUSA-N 0 0 433.533 3.531 50 0 IHAARN CCOC(=O)c1sc(N(C(=O)c2cc(-c3cnn(C)c3C)no2)C2CCCC2)nc1C ZINC000013642278 556542510 /nfs/dbraw/zinc/54/25/10/556542510.db2.gz SLYPPOZJAVLKLM-UHFFFAOYSA-N 0 0 443.529 3.915 50 0 IHAARN Cc1ccccc1Cn1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000015679168 556543104 /nfs/dbraw/zinc/54/31/04/556543104.db2.gz MSOCBKFULQNGFC-UHFFFAOYSA-N 0 0 446.463 3.779 50 0 IHAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)Nc1cccc(F)c1 ZINC000015779767 556551150 /nfs/dbraw/zinc/55/11/50/556551150.db2.gz AVRMGCNEYOMBKA-UHFFFAOYSA-N 0 0 425.851 3.634 50 0 IHAARN COc1cc(NC(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)cc(OC)c1OC ZINC000032959958 556553909 /nfs/dbraw/zinc/55/39/09/556553909.db2.gz YRCHTPJSLLBALV-HNNXBMFYSA-N 0 0 440.500 3.721 50 0 IHAARN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000015821928 556553903 /nfs/dbraw/zinc/55/39/03/556553903.db2.gz PAHHHLFIIVNDKB-UHFFFAOYSA-N 0 0 432.904 3.991 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831134 556554705 /nfs/dbraw/zinc/55/47/05/556554705.db2.gz WDOCCDXXUSBRIY-QGZVFWFLSA-N 0 0 445.924 3.584 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)Nc2nccs2)c2ccccc2)c(C)c1 ZINC000072306109 556556720 /nfs/dbraw/zinc/55/67/20/556556720.db2.gz ZGFKVFYGDUXGGO-KRWDZBQOSA-N 0 0 430.555 3.601 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000015859899 556558451 /nfs/dbraw/zinc/55/84/51/556558451.db2.gz GMRGJDFXBWECFD-HNNXBMFYSA-N 0 0 431.286 3.715 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC(OCc3cccc4ccccc43)C2)no1 ZINC000072306725 556559609 /nfs/dbraw/zinc/55/96/09/556559609.db2.gz XNSAQQKXMLVADX-MRXNPFEDSA-N 0 0 439.537 3.624 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000015869470 556559921 /nfs/dbraw/zinc/55/99/21/556559921.db2.gz HPDUXEQARWVBIB-UHFFFAOYSA-N 0 0 436.533 3.844 50 0 IHAARN COc1cc(SC)ccc1C(=O)Nc1cc(C)c(OCC(=O)N2CCOCC2)c(C)c1 ZINC000015913856 556563295 /nfs/dbraw/zinc/56/32/95/556563295.db2.gz PUXVOVLUVJDLGI-UHFFFAOYSA-N 0 0 444.553 3.524 50 0 IHAARN O=C(CN1CCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1)Nc1ccccc1 ZINC000032907715 556563666 /nfs/dbraw/zinc/56/36/66/556563666.db2.gz UFMFZJLJUZRNLC-UHFFFAOYSA-N 0 0 443.551 3.642 50 0 IHAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCCCC2 ZINC000015946958 556567820 /nfs/dbraw/zinc/56/78/20/556567820.db2.gz QZLBNHQMIMVICU-UHFFFAOYSA-N 0 0 443.569 3.549 50 0 IHAARN O=C(c1ccco1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000015990064 556571736 /nfs/dbraw/zinc/57/17/36/556571736.db2.gz ZLODGQSEXIHXBD-YSFYHYPLSA-N 0 0 428.419 3.817 50 0 IHAARN COc1ccc(Nc2ncnc3sc(C)c(S(=O)(=O)N4CCCCC4)c32)cc1OC ZINC000032961420 556572482 /nfs/dbraw/zinc/57/24/82/556572482.db2.gz KBIRFSSVPCJRLF-UHFFFAOYSA-N 0 0 448.570 3.935 50 0 IHAARN C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072310725 556576743 /nfs/dbraw/zinc/57/67/43/556576743.db2.gz XYCDZPRKWDKFGV-GDBMZVCRSA-N 0 0 437.562 3.534 50 0 IHAARN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C ZINC000016038836 556577986 /nfs/dbraw/zinc/57/79/86/556577986.db2.gz TVGKUGGUPLPVIQ-CBPXPLCBSA-N 0 0 430.504 3.826 50 0 IHAARN CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](CC)N(C)C ZINC000016045334 556579290 /nfs/dbraw/zinc/57/92/90/556579290.db2.gz IQWHMVDGLHKHEY-FQEVSTJZSA-N 0 0 444.649 3.532 50 0 IHAARN CC(C)OC(=O)c1c2c(sc1NC(=O)Cn1c(=O)cnc3ccccc31)C[C@@H](C)CC2 ZINC000032910132 556579532 /nfs/dbraw/zinc/57/95/32/556579532.db2.gz OLHPKOPVSRIUMA-AWEZNQCLSA-N 0 0 439.537 3.787 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)NCCCc3ccccc3)o2)cc(OC)c1OC ZINC000016046176 556580176 /nfs/dbraw/zinc/58/01/76/556580176.db2.gz ZKKTWDIFMXBZMI-UHFFFAOYSA-N 0 0 443.525 3.604 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000016046907 556580285 /nfs/dbraw/zinc/58/02/85/556580285.db2.gz ODRFHBOHFPOHGW-SFHVURJKSA-N 0 0 436.533 3.734 50 0 IHAARN COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1cccc(C)c1)CC2 ZINC000034755875 556581966 /nfs/dbraw/zinc/58/19/66/556581966.db2.gz IXJKNIKPOTXZFK-UHFFFAOYSA-N 0 0 446.551 3.981 50 0 IHAARN CC(C)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1N ZINC000032910942 556581987 /nfs/dbraw/zinc/58/19/87/556581987.db2.gz BDEVXOURBQKPPV-UHFFFAOYSA-N 0 0 427.374 3.884 50 0 IHAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000034797438 556582568 /nfs/dbraw/zinc/58/25/68/556582568.db2.gz AWKDYEOKDJIXMV-ZWKOTPCHSA-N 0 0 428.598 3.839 50 0 IHAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCCN(CC(F)(F)F)CC1 ZINC000032912122 556585620 /nfs/dbraw/zinc/58/56/20/556585620.db2.gz DEERBWXQBPUOGU-UHFFFAOYSA-N 0 0 438.469 3.991 50 0 IHAARN CCCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2)n1 ZINC000034906052 556586396 /nfs/dbraw/zinc/58/63/96/556586396.db2.gz JLSSHCGVPUIUMM-QZTJIDSGSA-N 0 0 430.574 3.862 50 0 IHAARN C[C@H]1CN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccccc2)C[C@H](C)O1 ZINC000034921908 556586600 /nfs/dbraw/zinc/58/66/00/556586600.db2.gz IUAPSJYMLKIQFN-HOTGVXAUSA-N 0 0 432.480 3.865 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc2ccccc2c1 ZINC000032967211 556588033 /nfs/dbraw/zinc/58/80/33/556588033.db2.gz PZGNHXBXSRRGRK-JOCHJYFZSA-N 0 0 449.503 3.925 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCOCC2)cc1 ZINC000032969228 556588525 /nfs/dbraw/zinc/58/85/25/556588525.db2.gz YGNHLPHKRRWECC-HNNXBMFYSA-N 0 0 444.746 3.854 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)cc1 ZINC000016193116 556588974 /nfs/dbraw/zinc/58/89/74/556588974.db2.gz VKOYANUEVCLJCC-UHFFFAOYSA-N 0 0 441.553 3.700 50 0 IHAARN Cc1cccn2cc(COC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)nc12 ZINC000016209936 556590975 /nfs/dbraw/zinc/59/09/75/556590975.db2.gz IKEVMBYLKVBELA-QFIPXVFZSA-N 0 0 439.471 3.593 50 0 IHAARN O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016301532 556598908 /nfs/dbraw/zinc/59/89/08/556598908.db2.gz UCDTYDXHTBPVCA-UHFFFAOYSA-N 0 0 444.450 3.562 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768279 556599161 /nfs/dbraw/zinc/59/91/61/556599161.db2.gz LCJUTASAWPWSSA-UHFFFAOYSA-N 0 0 438.850 3.917 50 0 IHAARN O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc(Cl)ccc1I ZINC000097915205 556601180 /nfs/dbraw/zinc/60/11/80/556601180.db2.gz UNTWVWBVDPJZPY-UHFFFAOYSA-N 0 0 448.717 3.506 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCCOc2ccccc2C)c1 ZINC000016361561 556602633 /nfs/dbraw/zinc/60/26/33/556602633.db2.gz HJVUPNSHWFUFQP-UHFFFAOYSA-N 0 0 434.558 3.832 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N[C@@H](C)c3ccccc3)c2=O)c1 ZINC000037399726 556602979 /nfs/dbraw/zinc/60/29/79/556602979.db2.gz LXZDRTKTMVXOGB-KRWDZBQOSA-N 0 0 447.922 3.992 50 0 IHAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC000016368950 556603559 /nfs/dbraw/zinc/60/35/59/556603559.db2.gz RYJQEQXWICXQMM-GFCCVEGCSA-N 0 0 433.331 3.856 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCc3ccccc3)s2)cc1 ZINC000032987071 556606987 /nfs/dbraw/zinc/60/69/87/556606987.db2.gz SMTHHDJCYLWAGC-UHFFFAOYSA-N 0 0 426.567 3.691 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccccc1F ZINC000032987182 556607222 /nfs/dbraw/zinc/60/72/22/556607222.db2.gz SYWMCPWVLVJIPY-UHFFFAOYSA-N 0 0 434.493 3.618 50 0 IHAARN Cc1ccccc1CNC(=O)CSCc1nnc(C(=O)Nc2ccccc2C)s1 ZINC000032987340 556607449 /nfs/dbraw/zinc/60/74/49/556607449.db2.gz CQHRBEYSWDZZOY-UHFFFAOYSA-N 0 0 426.567 3.957 50 0 IHAARN O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000016448632 556608740 /nfs/dbraw/zinc/60/87/40/556608740.db2.gz NKFACVGXCOBAGI-INIZCTEOSA-N 0 0 441.380 3.753 50 0 IHAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000016469304 556609702 /nfs/dbraw/zinc/60/97/02/556609702.db2.gz OEQXMIKDJNSMTO-UHFFFAOYSA-N 0 0 449.473 3.572 50 0 IHAARN COc1ccc(-c2nn3c(nc(CNC(=O)Nc4cc(C)cc(C)c4)cc3=O)s2)cc1 ZINC000032996085 556611222 /nfs/dbraw/zinc/61/12/22/556611222.db2.gz QKZKYXKSUDESII-UHFFFAOYSA-N 0 0 435.509 3.765 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NC3CC3)c12 ZINC000033644238 556617451 /nfs/dbraw/zinc/61/74/51/556617451.db2.gz IFHFCBOIVUAAFC-UHFFFAOYSA-N 0 0 432.505 3.893 50 0 IHAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5ccccc5)CC4)c(=O)n23)cc1 ZINC000016647626 556620000 /nfs/dbraw/zinc/62/00/00/556620000.db2.gz RXKUHFXWGUYQSF-UHFFFAOYSA-N 0 0 430.533 3.694 50 0 IHAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000033697991 556622659 /nfs/dbraw/zinc/62/26/59/556622659.db2.gz IPZLNMQUSXRPEM-HFRGRHLUSA-N 0 0 441.524 3.927 50 0 IHAARN Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)n1Cc1ccco1 ZINC000016685107 556625500 /nfs/dbraw/zinc/62/55/00/556625500.db2.gz JSENGOQSZSUYQT-INIZCTEOSA-N 0 0 435.480 3.667 50 0 IHAARN COc1ccc(-c2nn3c(nc(C)cc3N3CCN(c4nc(C)cc(C)n4)CC3)c2C)cc1 ZINC000040216837 556633900 /nfs/dbraw/zinc/63/39/00/556633900.db2.gz BFEKWEASPQAPNF-UHFFFAOYSA-N 0 0 443.555 3.755 50 0 IHAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n2n1 ZINC000016737146 556634044 /nfs/dbraw/zinc/63/40/44/556634044.db2.gz ZVQXUIJZXKXNKU-NDENLUEZSA-N 0 0 447.447 3.690 50 0 IHAARN O=C(NCc1cccs1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000097938728 556635248 /nfs/dbraw/zinc/63/52/48/556635248.db2.gz HQVNDVWLWUWSFE-UHFFFAOYSA-N 0 0 432.480 3.828 50 0 IHAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016741954 556635684 /nfs/dbraw/zinc/63/56/84/556635684.db2.gz KSOYXQOTIYDRRM-UHFFFAOYSA-N 0 0 434.901 3.668 50 0 IHAARN CCc1nn2c(nnc3c2ccn(CCc2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040388344 556636378 /nfs/dbraw/zinc/63/63/78/556636378.db2.gz XOVQGFMJOMGJHO-UHFFFAOYSA-N 0 0 425.492 3.920 50 0 IHAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OCC ZINC000016806388 556644155 /nfs/dbraw/zinc/64/41/55/556644155.db2.gz PSZLIXVTTPQKPC-QFIPXVFZSA-N 0 0 437.492 3.908 50 0 IHAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000016806444 556644178 /nfs/dbraw/zinc/64/41/78/556644178.db2.gz HQWBTYQQQLHGFC-JOCHJYFZSA-N 0 0 437.492 3.764 50 0 IHAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OCC ZINC000016806390 556644194 /nfs/dbraw/zinc/64/41/94/556644194.db2.gz PSZLIXVTTPQKPC-JOCHJYFZSA-N 0 0 437.492 3.908 50 0 IHAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000016825189 556645260 /nfs/dbraw/zinc/64/52/60/556645260.db2.gz VAXCGFODXVQFSA-NSHDSACASA-N 0 0 447.442 3.956 50 0 IHAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc12 ZINC000032921955 556646651 /nfs/dbraw/zinc/64/66/51/556646651.db2.gz FRPBKWDGVJNAIO-HXUWFJFHSA-N 0 0 434.931 3.810 50 0 IHAARN Cc1ccc([C@H]2c3cc(O[C@H](C)C(=O)N4CCOCC4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037602744 556646681 /nfs/dbraw/zinc/64/66/81/556646681.db2.gz ZRGDHNSKUMCGCM-CLOONOSVSA-N 0 0 448.563 3.505 50 0 IHAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 ZINC000016908815 556648959 /nfs/dbraw/zinc/64/89/59/556648959.db2.gz GFNQOQNAJJXLSK-HNNXBMFYSA-N 0 0 438.509 3.731 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1C ZINC000011748000 556650284 /nfs/dbraw/zinc/65/02/84/556650284.db2.gz LVTMBCKNKWYTPZ-UHFFFAOYSA-N 0 0 443.887 3.995 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000016956961 556650584 /nfs/dbraw/zinc/65/05/84/556650584.db2.gz BXAARKZTYAVRJH-HXUWFJFHSA-N 0 0 425.485 3.596 50 0 IHAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3nc4cc5c(cc4s3)OCCO5)cnc12 ZINC000011752471 556651184 /nfs/dbraw/zinc/65/11/84/556651184.db2.gz IGDCLQRXPJNROB-UHFFFAOYSA-N 0 0 436.493 3.505 50 0 IHAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752382 556651217 /nfs/dbraw/zinc/65/12/17/556651217.db2.gz IMNVYJMNLFSBGF-WIKAJDCBSA-N 0 0 441.553 3.727 50 0 IHAARN O=C([C@@H]1COc2ccccc2C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016962590 556651224 /nfs/dbraw/zinc/65/12/24/556651224.db2.gz BAQLCAZONLRNTH-AWEZNQCLSA-N 0 0 425.838 3.654 50 0 IHAARN COc1ccc(CNC(=O)CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000016974141 556651791 /nfs/dbraw/zinc/65/17/91/556651791.db2.gz YAGCYIKOQLSVHW-FMIVXFBMSA-N 0 0 440.550 3.607 50 0 IHAARN CSc1ncc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)n1-c1ccc(F)cc1 ZINC000032999969 556653478 /nfs/dbraw/zinc/65/34/78/556653478.db2.gz VWIGYERLQFWQSY-QGZVFWFLSA-N 0 0 446.573 3.598 50 0 IHAARN O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000060307347 556657064 /nfs/dbraw/zinc/65/70/64/556657064.db2.gz PHKJXZFULSNELE-UHFFFAOYSA-N 0 0 425.860 3.510 50 0 IHAARN O=C(NCc1cccs1)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033010188 556658049 /nfs/dbraw/zinc/65/80/49/556658049.db2.gz QDOOLBXYEAJEGM-UHFFFAOYSA-N 0 0 436.516 3.525 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1cccc(Cl)c1 ZINC000033011581 556659544 /nfs/dbraw/zinc/65/95/44/556659544.db2.gz UAKMVYCWKBFPAL-UHFFFAOYSA-N 0 0 436.921 3.991 50 0 IHAARN O=C(CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCc1cccs1 ZINC000033011924 556660442 /nfs/dbraw/zinc/66/04/42/556660442.db2.gz IULXFPSJIIPFTN-UHFFFAOYSA-N 0 0 438.987 3.956 50 0 IHAARN Cc1cc(C)n2nc(CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)nc2n1 ZINC000033014227 556664411 /nfs/dbraw/zinc/66/44/11/556664411.db2.gz SCXJEXNETPAAPJ-UHFFFAOYSA-N 0 0 427.917 3.790 50 0 IHAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000017099624 556664997 /nfs/dbraw/zinc/66/49/97/556664997.db2.gz JSWZVLADQXIODX-UHFFFAOYSA-N 0 0 435.528 3.608 50 0 IHAARN CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011865684 556665531 /nfs/dbraw/zinc/66/55/31/556665531.db2.gz IDIPKFXULBZFMS-IBGZPJMESA-N 0 0 443.858 3.727 50 0 IHAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000011866921 556667019 /nfs/dbraw/zinc/66/70/19/556667019.db2.gz WFOZOWBLYQCZSL-DFBJGRDBSA-N 0 0 427.541 3.976 50 0 IHAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011867064 556667164 /nfs/dbraw/zinc/66/71/64/556667164.db2.gz GLMODHLCNVGQDF-BCHFMIIMSA-N 0 0 433.504 3.992 50 0 biogenic IHAARN CCS(=O)(=O)Oc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2OC)c1 ZINC000044854731 556671272 /nfs/dbraw/zinc/67/12/72/556671272.db2.gz ZMKJNBJCZOYZQG-LJQANCHMSA-N 0 0 448.541 3.637 50 0 IHAARN O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21 ZINC000011906483 556671497 /nfs/dbraw/zinc/67/14/97/556671497.db2.gz FWWARSHKOXFZOB-UHFFFAOYSA-N 0 0 425.485 3.756 50 0 IHAARN COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000017197812 556672845 /nfs/dbraw/zinc/67/28/45/556672845.db2.gz ZRSWUJMCGVEDDR-CMJOXMDJSA-N 0 0 439.537 3.669 50 0 IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011914825 556674248 /nfs/dbraw/zinc/67/42/48/556674248.db2.gz GDWKXZMCFPZPMF-SFHVURJKSA-N 0 0 430.913 3.825 50 0 IHAARN NC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000017918896 556680184 /nfs/dbraw/zinc/68/01/84/556680184.db2.gz PIVCELIXPXBORJ-JQBYJRRVSA-N 0 0 428.875 3.836 50 0 IHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325834 556680491 /nfs/dbraw/zinc/68/04/91/556680491.db2.gz DMIWCAGBVUPYJL-IBGZPJMESA-N 0 0 427.501 3.918 50 0 IHAARN CC12CN(C(=S)Nc3ccccc3)CC(C)(CN(C(=S)Nc3ccccc3)C1)C2=O ZINC000018188274 556686174 /nfs/dbraw/zinc/68/61/74/556686174.db2.gz IGIBXMINQWYTNW-UHFFFAOYSA-N 0 0 438.622 3.993 50 0 IHAARN CC(C)c1nc(-c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2)n[nH]1 ZINC000252572457 556691731 /nfs/dbraw/zinc/69/17/31/556691731.db2.gz ZJEOKIKYHKEHFH-GOSISDBHSA-N 0 0 432.484 3.714 50 0 IHAARN CC(=O)c1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)cc1 ZINC000000754821 556693192 /nfs/dbraw/zinc/69/31/92/556693192.db2.gz CWGAJAQZZXQAFD-UHFFFAOYSA-N 0 0 429.519 3.831 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NC3CCCCC3)CC2)c1C ZINC000033024195 556694797 /nfs/dbraw/zinc/69/47/97/556694797.db2.gz IXYFOLAQSMHXRQ-OAHLLOKOSA-N 0 0 431.577 3.745 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000033024128 556694824 /nfs/dbraw/zinc/69/48/24/556694824.db2.gz RUDYEINPHBIWEU-ZDUSSCGKSA-N 0 0 430.913 3.583 50 0 IHAARN O=C(Nc1ccccc1Cl)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293340 556707843 /nfs/dbraw/zinc/70/78/43/556707843.db2.gz GKICDYBGBRWPGB-NRFANRHFSA-N 0 0 444.938 3.820 50 0 IHAARN CCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3NC(C)=O)cc2)CC1 ZINC000033037104 556721960 /nfs/dbraw/zinc/72/19/60/556721960.db2.gz JRJMVMWJDCIBMB-UHFFFAOYSA-N 0 0 431.540 3.584 50 0 IHAARN CCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(C)(C)C)cc1OCC ZINC000005180581 556722374 /nfs/dbraw/zinc/72/23/74/556722374.db2.gz SIRJVUCLPGLUMI-UHFFFAOYSA-N 0 0 427.497 3.787 50 0 IHAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2ccccn2)cc1 ZINC000061719611 556725940 /nfs/dbraw/zinc/72/59/40/556725940.db2.gz ZZXPDLFHAQZZQD-DEOSSOPVSA-N 0 0 430.508 3.753 50 0 IHAARN COCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3N[C@H]2c2ccccc2)s1 ZINC000061720935 556727448 /nfs/dbraw/zinc/72/74/48/556727448.db2.gz BVBIYYUNQSOYAR-HXUWFJFHSA-N 0 0 437.525 3.670 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CSCC(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 ZINC000024318820 556731925 /nfs/dbraw/zinc/73/19/25/556731925.db2.gz OWDRGIULBPMUCX-INIZCTEOSA-N 0 0 428.554 3.705 50 0 IHAARN O=C(C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccccc1 ZINC000055053351 556732821 /nfs/dbraw/zinc/73/28/21/556732821.db2.gz PEQSYASNOFWUJZ-NRFANRHFSA-N 0 0 445.485 3.701 50 0 IHAARN Cn1cc(CN2CCN(c3cnccn3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000055073126 556733661 /nfs/dbraw/zinc/73/36/61/556733661.db2.gz KQFFWXZZYCWWPM-UHFFFAOYSA-N 0 0 426.524 3.992 50 0 IHAARN O=C(c1scc2c1OCCO2)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055309426 556739993 /nfs/dbraw/zinc/73/99/93/556739993.db2.gz XCHIYDBQCPQHBS-SFHVURJKSA-N 0 0 447.988 3.600 50 0 IHAARN COCCc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055342957 556740412 /nfs/dbraw/zinc/74/04/12/556740412.db2.gz XVYKCJHPNKVASA-JOCHJYFZSA-N 0 0 447.539 3.846 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000019355538 556745162 /nfs/dbraw/zinc/74/51/62/556745162.db2.gz QHPZHMXOPOJGJN-UHFFFAOYSA-N 0 0 441.987 3.712 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)c1 ZINC000096366837 556749112 /nfs/dbraw/zinc/74/91/12/556749112.db2.gz IQERFCTYPOEYIW-AWEZNQCLSA-N 0 0 438.343 3.536 50 0 IHAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4CC(C)C)C2=O)cc1 ZINC000206238119 556749250 /nfs/dbraw/zinc/74/92/50/556749250.db2.gz NLBMCERHXODLBI-OAQYLSRUSA-N 0 0 448.523 3.755 50 0 IHAARN C[C@@H](CN(C)c1ccccc1)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000057984686 556750095 /nfs/dbraw/zinc/75/00/95/556750095.db2.gz KBMPILOGGDUZDQ-HNNXBMFYSA-N 0 0 438.578 3.828 50 0 IHAARN CCOC(=O)c1c(C)oc2nc(COC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc(N)c21 ZINC000011151951 556755145 /nfs/dbraw/zinc/75/51/45/556755145.db2.gz XTHKEEWZXCHGKR-UHFFFAOYSA-N 0 0 447.875 3.844 50 0 IHAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(OCc4ccccc4)c3)C2)cc1 ZINC000096377975 556760826 /nfs/dbraw/zinc/76/08/26/556760826.db2.gz KLQUHBZCGFRBCJ-UHFFFAOYSA-N 0 0 437.517 3.573 50 0 IHAARN COCCOc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000061915242 556762872 /nfs/dbraw/zinc/76/28/72/556762872.db2.gz ZBYKZTJXADJGIY-HSZRJFAPSA-N 0 0 434.492 3.565 50 0 IHAARN COc1ccc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cn1 ZINC000058159797 556764049 /nfs/dbraw/zinc/76/40/49/556764049.db2.gz DQFZPKGHRQZBTO-UHFFFAOYSA-N 0 0 437.949 3.585 50 0 IHAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 ZINC000062022864 556766203 /nfs/dbraw/zinc/76/62/03/556766203.db2.gz ARXCAEXVBZAKGI-CQSZACIVSA-N 0 0 446.433 3.545 50 0 IHAARN O=C(COC(=O)Cn1ccc(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC000058168138 556767435 /nfs/dbraw/zinc/76/74/35/556767435.db2.gz MUOLPNKWHZQBOH-UHFFFAOYSA-N 0 0 428.444 3.976 50 0 IHAARN CCn1c(CN(C)Cc2ccc(SC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000058169925 556767579 /nfs/dbraw/zinc/76/75/79/556767579.db2.gz VFYCNZVQJVWFSW-UHFFFAOYSA-N 0 0 432.615 3.660 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000058201500 556771222 /nfs/dbraw/zinc/77/12/22/556771222.db2.gz SGHXBKXXXQTZND-OAQYLSRUSA-N 0 0 428.460 3.719 50 0 IHAARN COCCOc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)c(C)c1 ZINC000058210503 556771899 /nfs/dbraw/zinc/77/18/99/556771899.db2.gz ITLQAJFQLCHMSU-UHFFFAOYSA-N 0 0 437.496 3.756 50 0 IHAARN O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000058216436 556772483 /nfs/dbraw/zinc/77/24/83/556772483.db2.gz IDKFRWRQORSYJC-UHFFFAOYSA-N 0 0 449.979 3.737 50 0 IHAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000058217472 556772861 /nfs/dbraw/zinc/77/28/61/556772861.db2.gz XJHKLWRZALRNMR-UHFFFAOYSA-N 0 0 436.839 3.882 50 0 IHAARN CC(=O)NCCc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000058246547 556775561 /nfs/dbraw/zinc/77/55/61/556775561.db2.gz AZSIODLIRDBPQB-UHFFFAOYSA-N 0 0 426.991 3.828 50 0 IHAARN COc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)c2ccccc2)cc1 ZINC000058251608 556775831 /nfs/dbraw/zinc/77/58/31/556775831.db2.gz UUJYZWIGAVDIOR-AOMKIAJQSA-N 0 0 428.492 3.596 50 0 IHAARN COCCN(CC(=O)Nc1cccc(I)c1)[C@H](C)c1ccccc1 ZINC000058298050 556778541 /nfs/dbraw/zinc/77/85/41/556778541.db2.gz KBRXMBALFHDQCJ-OAHLLOKOSA-N 0 0 438.309 3.939 50 0 IHAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@@H](C)O1 ZINC000058305288 556778862 /nfs/dbraw/zinc/77/88/62/556778862.db2.gz QVOZTSZOTHUJIZ-QZTJIDSGSA-N 0 0 438.528 3.754 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCNc3ccc(C)nn3)c3ccccc3n2)cc1OC ZINC000058307492 556779347 /nfs/dbraw/zinc/77/93/47/556779347.db2.gz MALLWTMSJFPQHO-UHFFFAOYSA-N 0 0 443.507 3.859 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3nccn3CC(F)(F)F)cc2F)C[C@H](C)O1 ZINC000058315647 556780449 /nfs/dbraw/zinc/78/04/49/556780449.db2.gz XRWLMMPVXCCQOG-OKILXGFUSA-N 0 0 443.445 3.862 50 0 IHAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000058317078 556780604 /nfs/dbraw/zinc/78/06/04/556780604.db2.gz HQNHZYVQRWGFHN-UHFFFAOYSA-N 0 0 427.507 3.715 50 0 IHAARN O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC2(CC1)OCCO2 ZINC000058363148 556782920 /nfs/dbraw/zinc/78/29/20/556782920.db2.gz JERWSZZYLRXCHE-UHFFFAOYSA-N 0 0 437.265 3.755 50 0 IHAARN O=C1COc2cc(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)c(Cl)cc2N1 ZINC000058407625 556786369 /nfs/dbraw/zinc/78/63/69/556786369.db2.gz FNWIWDJMQSBXNX-UHFFFAOYSA-N 0 0 425.249 3.640 50 0 IHAARN CN(CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000059119720 556794760 /nfs/dbraw/zinc/79/47/60/556794760.db2.gz FVGTYWRNBFJZJE-GOSISDBHSA-N 0 0 431.533 3.500 50 0 IHAARN COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1nc2c(cccc2C)s1)C(F)(F)F ZINC000002050311 556798508 /nfs/dbraw/zinc/79/85/08/556798508.db2.gz HLKMOTUBOBRWCM-IBGZPJMESA-N 0 0 437.443 3.807 50 0 IHAARN CCOC(=O)CSc1nnc(-c2sc3nc(-c4ccccc4)nc(C)c3c2N)o1 ZINC000002150635 556799079 /nfs/dbraw/zinc/79/90/79/556799079.db2.gz YCQLVPFBXGOATO-UHFFFAOYSA-N 0 0 427.511 3.954 50 0 IHAARN CCCOC(=O)c1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1 ZINC000059723979 556803642 /nfs/dbraw/zinc/80/36/42/556803642.db2.gz CHPKVMUSACXKNS-UHFFFAOYSA-N 0 0 441.553 3.525 50 0 IHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000059741002 556803894 /nfs/dbraw/zinc/80/38/94/556803894.db2.gz WRFZHIAKGWBWOQ-INIZCTEOSA-N 0 0 425.495 3.639 50 0 IHAARN Cc1ccc(C)n1-c1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1C ZINC000060032212 556806032 /nfs/dbraw/zinc/80/60/32/556806032.db2.gz GCNADWPLKBXVMZ-UHFFFAOYSA-N 0 0 431.462 3.809 50 0 IHAARN O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(I)cc1 ZINC000003235450 556806249 /nfs/dbraw/zinc/80/62/49/556806249.db2.gz BINAEOYNCZHQPQ-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000003268686 556807629 /nfs/dbraw/zinc/80/76/29/556807629.db2.gz NSIWMZQJYZRUDA-UHFFFAOYSA-N 0 0 430.917 3.957 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057732 556807793 /nfs/dbraw/zinc/80/77/93/556807793.db2.gz INVFCHBOQWTGPL-OAHLLOKOSA-N 0 0 436.899 3.842 50 0 IHAARN CC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000003347951 556813554 /nfs/dbraw/zinc/81/35/54/556813554.db2.gz IITMKPQCQJEBCZ-UHFFFAOYSA-N 0 0 425.510 3.992 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000003381699 556814067 /nfs/dbraw/zinc/81/40/67/556814067.db2.gz OMUMDURLUBSOQX-UHFFFAOYSA-N 0 0 449.467 3.928 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 ZINC000003410945 556814713 /nfs/dbraw/zinc/81/47/13/556814713.db2.gz NISLMMVFPYNNQY-UHFFFAOYSA-N 0 0 428.488 3.610 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2cccc(Cl)c2)C3=O)cc1F ZINC000097943883 556814836 /nfs/dbraw/zinc/81/48/36/556814836.db2.gz PWFSOOLIUGTREK-JOCHJYFZSA-N 0 0 429.879 3.514 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC ZINC000003480701 556816575 /nfs/dbraw/zinc/81/65/75/556816575.db2.gz PMIYEMYQCGFFHA-UHFFFAOYSA-N 0 0 445.427 3.544 50 0 IHAARN COc1ccc(CNC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000064591800 556825434 /nfs/dbraw/zinc/82/54/34/556825434.db2.gz YUQDMVKIZSNFJZ-UHFFFAOYSA-N 0 0 432.480 4.000 50 0 IHAARN COCCN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064662302 556826501 /nfs/dbraw/zinc/82/65/01/556826501.db2.gz ZEYWVMUYJQPTMJ-OAQYLSRUSA-N 0 0 431.945 3.534 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000065003072 556831208 /nfs/dbraw/zinc/83/12/08/556831208.db2.gz FWFDSURYPXVLEN-UHFFFAOYSA-N 0 0 436.533 3.685 50 0 IHAARN O=C(Cn1c2ccccc2n2c1nc(-c1cccnc1)cc2=O)Nc1ccc(F)cc1F ZINC000065305051 556832955 /nfs/dbraw/zinc/83/29/55/556832955.db2.gz ZPLSMUUZYWVBCU-UHFFFAOYSA-N 0 0 431.402 3.628 50 0 IHAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nn2)n1 ZINC000065362396 556834255 /nfs/dbraw/zinc/83/42/55/556834255.db2.gz MQQWXGLXTANMRD-UHFFFAOYSA-N 0 0 425.924 3.595 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)ncn2)n1 ZINC000065364031 556835493 /nfs/dbraw/zinc/83/54/93/556835493.db2.gz TUAKPQMYJRJROV-UHFFFAOYSA-N 0 0 445.449 3.652 50 0 IHAARN CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 ZINC000065365447 556835957 /nfs/dbraw/zinc/83/59/57/556835957.db2.gz HLEGWLBBNANPAE-UHFFFAOYSA-N 0 0 435.557 4.000 50 0 IHAARN O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)C(=O)N1CCC(O)CC1 ZINC000062583640 556838475 /nfs/dbraw/zinc/83/84/75/556838475.db2.gz DPKADKJEMPRUGK-UHFFFAOYSA-N 0 0 427.259 3.847 50 0 IHAARN O=C(Cc1ccccc1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997784 556838499 /nfs/dbraw/zinc/83/84/99/556838499.db2.gz KIJAGERVXHLSPW-UHFFFAOYSA-N 0 0 431.508 3.873 50 0 IHAARN O=S(=O)(c1ccccc1)n1cc(I)c2c1ncc(F)c2Cl ZINC000066054263 556839713 /nfs/dbraw/zinc/83/97/13/556839713.db2.gz UCNMDGJGCWPQLN-UHFFFAOYSA-N 0 0 436.633 3.670 50 0 IHAARN Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3coc4ccccc4c3=O)nc21 ZINC000022998208 556840782 /nfs/dbraw/zinc/84/07/82/556840782.db2.gz SYWBNWPPAHHGAR-UHFFFAOYSA-N 0 0 449.532 3.690 50 0 IHAARN O=C(CSc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998549 556841048 /nfs/dbraw/zinc/84/10/48/556841048.db2.gz XVWQIDBVFFSDDB-UHFFFAOYSA-N 0 0 431.558 3.893 50 0 IHAARN O=C(CCOc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998529 556841091 /nfs/dbraw/zinc/84/10/91/556841091.db2.gz LFQMXQYBRQNEMZ-UHFFFAOYSA-N 0 0 429.517 3.570 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2sc(C)c(C)c2c1=O ZINC000008719425 556843264 /nfs/dbraw/zinc/84/32/64/556843264.db2.gz YBYFKDUPAKMPHX-UHFFFAOYSA-N 0 0 443.594 3.941 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)c1 ZINC000008748976 556845310 /nfs/dbraw/zinc/84/53/10/556845310.db2.gz AQVTWRQKVDCKLA-UHFFFAOYSA-N 0 0 447.538 3.788 50 0 IHAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cc(CC(C)C)n[nH]3)CC2)c1 ZINC000067726771 556846263 /nfs/dbraw/zinc/84/62/63/556846263.db2.gz UFHZRAOTKFPFGL-UHFFFAOYSA-N 0 0 440.588 3.896 50 0 IHAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071288 556851645 /nfs/dbraw/zinc/85/16/45/556851645.db2.gz MZCPWRYPWSTSTQ-MRXNPFEDSA-N 0 0 427.346 3.901 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1C ZINC000008977175 556852213 /nfs/dbraw/zinc/85/22/13/556852213.db2.gz UYDRTMXONLVXQG-UHFFFAOYSA-N 0 0 426.494 3.596 50 0 IHAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000033073622 556852635 /nfs/dbraw/zinc/85/26/35/556852635.db2.gz GSXVHURKKWGRGO-UHFFFAOYSA-N 0 0 444.535 3.875 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000033088327 556856167 /nfs/dbraw/zinc/85/61/67/556856167.db2.gz MPHIWYLNPYODQX-UHFFFAOYSA-N 0 0 433.512 3.842 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1 ZINC000033086095 556856921 /nfs/dbraw/zinc/85/69/21/556856921.db2.gz OHGYYINBEMKKON-UHFFFAOYSA-N 0 0 440.345 3.705 50 0 IHAARN COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Cc4cccs4)CC3)s2)cc1 ZINC000033113959 556860773 /nfs/dbraw/zinc/86/07/73/556860773.db2.gz CAEWFTVHBJYSKJ-UHFFFAOYSA-N 0 0 442.566 3.809 50 0 IHAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000033122455 556863239 /nfs/dbraw/zinc/86/32/39/556863239.db2.gz APJKNPUWZGEKDN-UHFFFAOYSA-N 0 0 425.913 3.762 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)cc3)n2)c1 ZINC000033128298 556865556 /nfs/dbraw/zinc/86/55/56/556865556.db2.gz CDBQQKLYQHSEQW-OAHLLOKOSA-N 0 0 425.510 3.677 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000033125007 556866197 /nfs/dbraw/zinc/86/61/97/556866197.db2.gz LEGQVUXGBGUOFW-ZDUSSCGKSA-N 0 0 431.851 3.748 50 0 IHAARN CCOCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033129992 556869494 /nfs/dbraw/zinc/86/94/94/556869494.db2.gz RCKKFBQLXPURNT-UHFFFAOYSA-N 0 0 430.570 3.685 50 0 IHAARN CSc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C)OCO5)n2)cc1 ZINC000033130619 556870904 /nfs/dbraw/zinc/87/09/04/556870904.db2.gz CEYARWRLFCMGQG-UHFFFAOYSA-N 0 0 440.506 3.726 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1OC ZINC000033142007 556877420 /nfs/dbraw/zinc/87/74/20/556877420.db2.gz VZKDOBFYQQDNEF-UHFFFAOYSA-N 0 0 448.523 3.819 50 0 IHAARN COc1cccc(CNS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)c1 ZINC000033171028 556881864 /nfs/dbraw/zinc/88/18/64/556881864.db2.gz FETLJKXPLRLTEY-XFXZXTDPSA-N 0 0 441.509 3.599 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)C3CCCCC3)nn2)cc1 ZINC000033171518 556882583 /nfs/dbraw/zinc/88/25/83/556882583.db2.gz LQJPTBZXIVAUSK-UHFFFAOYSA-N 0 0 435.571 3.713 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3nc4ccccc4n(C)c3=O)cc2)c1 ZINC000033171808 556882668 /nfs/dbraw/zinc/88/26/68/556882668.db2.gz ZZTHIDSXNUHYRZ-UHFFFAOYSA-N 0 0 429.476 3.548 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@@H](C(=O)NCc2ccc(Br)cc2)C1 ZINC000033173306 556883224 /nfs/dbraw/zinc/88/32/24/556883224.db2.gz DNYSDZOLOILRBZ-MRXNPFEDSA-N 0 0 442.361 3.572 50 0 IHAARN Cc1ccccc1NC(=O)CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC000033174759 556884520 /nfs/dbraw/zinc/88/45/20/556884520.db2.gz BFWIISRQWSDZPQ-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033169885 556885014 /nfs/dbraw/zinc/88/50/14/556885014.db2.gz HBYVIUJWXDRDSZ-CQSZACIVSA-N 0 0 426.860 3.569 50 0 IHAARN O=C(CSc1nccnc1N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000033170126 556885510 /nfs/dbraw/zinc/88/55/10/556885510.db2.gz MNFNHSNYFDYTLW-UHFFFAOYSA-N 0 0 441.507 3.812 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(SC)c4)c3)n2)cc1 ZINC000033170496 556885891 /nfs/dbraw/zinc/88/58/91/556885891.db2.gz XTCZIIKCKQKOCV-UHFFFAOYSA-N 0 0 448.504 3.935 50 0 IHAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 ZINC000033260865 556897663 /nfs/dbraw/zinc/89/76/63/556897663.db2.gz FRAQZBJVAOATCS-UHFFFAOYSA-N 0 0 438.915 3.981 50 0 IHAARN CCCCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC ZINC000019807945 556918286 /nfs/dbraw/zinc/91/82/86/556918286.db2.gz WZAJVUOUSRJKON-HMMYKYKNSA-N 0 0 436.537 3.728 50 0 IHAARN CCCCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OC ZINC000019807948 556918326 /nfs/dbraw/zinc/91/83/26/556918326.db2.gz VPMKXSOWKILHJM-XSFVSMFZSA-N 0 0 436.537 3.728 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817613 556920475 /nfs/dbraw/zinc/92/04/75/556920475.db2.gz SLSMYICNENNVML-NRFANRHFSA-N 0 0 443.463 3.704 50 0 IHAARN CN1CCN(C(=S)SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000019840664 556929429 /nfs/dbraw/zinc/92/94/29/556929429.db2.gz FFIIZXTWAHLAAR-UHFFFAOYSA-N 0 0 448.013 3.775 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000019857950 556931728 /nfs/dbraw/zinc/93/17/28/556931728.db2.gz OKFFZNRPMBDIBT-INIZCTEOSA-N 0 0 436.961 3.838 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860151 556932373 /nfs/dbraw/zinc/93/23/73/556932373.db2.gz DXZHKEDBAFABCT-QGZVFWFLSA-N 0 0 436.961 3.919 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861044 556933664 /nfs/dbraw/zinc/93/36/64/556933664.db2.gz GMKBGRRATHASFX-AWEZNQCLSA-N 0 0 428.888 3.799 50 0 IHAARN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019863190 556934115 /nfs/dbraw/zinc/93/41/15/556934115.db2.gz RZBREIOJRJXLFH-SFHVURJKSA-N 0 0 434.533 3.793 50 0 IHAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC ZINC000019890002 556938919 /nfs/dbraw/zinc/93/89/19/556938919.db2.gz PQEGDKFKXYUPEQ-UHFFFAOYSA-N 0 0 440.565 3.754 50 0 IHAARN COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000019944563 556954162 /nfs/dbraw/zinc/95/41/62/556954162.db2.gz FSRZTNUNZMICPP-MRXNPFEDSA-N 0 0 436.217 3.970 50 0 IHAARN O=C(Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1 ZINC000019982230 556956696 /nfs/dbraw/zinc/95/66/96/556956696.db2.gz JKFWEYYXPFSNQQ-UHFFFAOYSA-N 0 0 440.544 3.710 50 0 IHAARN O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000020018758 556963626 /nfs/dbraw/zinc/96/36/26/556963626.db2.gz VZWANBXXFQZIMH-UHFFFAOYSA-N 0 0 443.547 3.576 50 0 IHAARN CC(C)(C)NC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000033264977 556974746 /nfs/dbraw/zinc/97/47/46/556974746.db2.gz ZLSKEJARLRKIQL-UHFFFAOYSA-N 0 0 440.544 3.948 50 0 IHAARN CCCc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020065441 556978110 /nfs/dbraw/zinc/97/81/10/556978110.db2.gz XKKBRUOOHNYXTK-UHFFFAOYSA-N 0 0 441.601 3.787 50 0 IHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000020095873 556979730 /nfs/dbraw/zinc/97/97/30/556979730.db2.gz GAAAVYAROKCRQS-UHFFFAOYSA-N 0 0 430.439 3.800 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000020096155 556979735 /nfs/dbraw/zinc/97/97/35/556979735.db2.gz WCTGFKWSRXWQEN-UHFFFAOYSA-N 0 0 448.932 3.550 50 0 IHAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccccc4)n3c2)cc1 ZINC000033268180 556982372 /nfs/dbraw/zinc/98/23/72/556982372.db2.gz HVQRHMVPOQLPBK-UHFFFAOYSA-N 0 0 433.493 3.721 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097087115 556983292 /nfs/dbraw/zinc/98/32/92/556983292.db2.gz NSHCUZPMNGKMJO-KRWDZBQOSA-N 0 0 431.452 3.941 50 0 IHAARN CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000097105738 556987804 /nfs/dbraw/zinc/98/78/04/556987804.db2.gz MFQHIBYRIUUNKK-OAQYLSRUSA-N 0 0 429.542 3.791 50 0 IHAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2OC(F)(F)F)C3)cc1 ZINC000097112856 556989743 /nfs/dbraw/zinc/98/97/43/556989743.db2.gz FVCOTFPRGJTQGW-UHFFFAOYSA-N 0 0 445.397 3.543 50 0 IHAARN COC(=O)C[C@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OC)c(OC)c1 ZINC000097109124 556990098 /nfs/dbraw/zinc/99/00/98/556990098.db2.gz ZUMSDTWBGZQDLT-INIZCTEOSA-N 0 0 431.876 3.801 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@]2(C1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000097125258 556991080 /nfs/dbraw/zinc/99/10/80/556991080.db2.gz ZMSIXIFXZSYZIV-NRFANRHFSA-N 0 0 432.307 3.720 50 0 IHAARN CN1c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097125899 556991442 /nfs/dbraw/zinc/99/14/42/556991442.db2.gz BKFXPZLIUVVVQG-QFIPXVFZSA-N 0 0 438.959 3.704 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000010672147 556993090 /nfs/dbraw/zinc/99/30/90/556993090.db2.gz QOIRSZVUNJTASG-UHFFFAOYSA-N 0 0 430.570 3.996 50 0 IHAARN O=S1(=O)CC[C@@H](n2cc(CNc3nc4ccccc4n3CCCc3ccccc3)cn2)C1 ZINC000097162775 556993853 /nfs/dbraw/zinc/99/38/53/556993853.db2.gz GUHJXBPTRPEGSV-OAQYLSRUSA-N 0 0 449.580 3.837 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000097165869 556994762 /nfs/dbraw/zinc/99/47/62/556994762.db2.gz DNBODUMBBWAQJX-UHFFFAOYSA-N 0 0 442.924 3.878 50 0 IHAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000020211158 556998675 /nfs/dbraw/zinc/99/86/75/556998675.db2.gz DOYXLYSCHRPFBB-JOCHJYFZSA-N 0 0 426.948 3.635 50 0 IHAARN O=C(NC[C@@H](c1cccc2ccccc21)N1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000023107752 557002431 /nfs/dbraw/zinc/00/24/31/557002431.db2.gz HLXQYROWFBPJQU-QFIPXVFZSA-N 0 0 437.927 3.621 50 0 IHAARN COc1cc(CCC2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cc(OC)c1 ZINC000011250542 557002458 /nfs/dbraw/zinc/00/24/58/557002458.db2.gz UTCPEXCSURZIQA-UHFFFAOYSA-N 0 0 449.551 3.675 50 0 IHAARN CCNc1nn(CC(=O)Nc2ccc(OC)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 ZINC000023125414 557007165 /nfs/dbraw/zinc/00/71/65/557007165.db2.gz VAJXELRMXBZUAL-UHFFFAOYSA-N 0 0 447.499 3.570 50 0 IHAARN COc1ccc2nc(I)c(C3N4CC5(C)CN3CC(C)(C4)C5)cc2c1 ZINC000079124177 557011895 /nfs/dbraw/zinc/01/18/95/557011895.db2.gz LSVXFGILRHNTFG-UHFFFAOYSA-N 0 0 449.336 3.894 50 0 IHAARN CN1CCc2c(sc3nc(NC[C@@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020393062 557013113 /nfs/dbraw/zinc/01/31/13/557013113.db2.gz MMOHMGXHCAEACD-HNNXBMFYSA-N 0 0 430.961 3.679 50 0 IHAARN CCOCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 ZINC000020436967 557017005 /nfs/dbraw/zinc/01/70/05/557017005.db2.gz GUNVKOCDTBFUMM-UHFFFAOYSA-N 0 0 432.977 3.927 50 0 IHAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023137366 557019467 /nfs/dbraw/zinc/01/94/67/557019467.db2.gz HWYKBVLFCPIKMQ-UHFFFAOYSA-N 0 0 437.546 3.936 50 0 IHAARN O=S(=O)(c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)nc1)N1CCCCC1 ZINC000072020268 557021090 /nfs/dbraw/zinc/02/10/90/557021090.db2.gz JTJDPLCJBLETDF-UHFFFAOYSA-N 0 0 433.549 3.556 50 0 IHAARN COc1ccc(CNC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138283 557021408 /nfs/dbraw/zinc/02/14/08/557021408.db2.gz BJSNPJLKDRDTCR-UHFFFAOYSA-N 0 0 429.929 3.995 50 0 IHAARN COc1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)c(OC)c1 ZINC000023138610 557021748 /nfs/dbraw/zinc/02/17/48/557021748.db2.gz USSJZXXLQAFVNI-UHFFFAOYSA-N 0 0 443.500 3.708 50 0 IHAARN COc1cc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc(OC)c1OC ZINC000023140239 557022755 /nfs/dbraw/zinc/02/27/55/557022755.db2.gz OIPBLCXNFAOXJA-ZDUSSCGKSA-N 0 0 429.498 3.844 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000023143602 557025549 /nfs/dbraw/zinc/02/55/49/557025549.db2.gz RVPGZKNJLDBIHH-UHFFFAOYSA-N 0 0 430.448 3.801 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1C ZINC000046046145 557025782 /nfs/dbraw/zinc/02/57/82/557025782.db2.gz YPFNVYILJVHLDB-UHFFFAOYSA-N 0 0 445.604 3.818 50 0 IHAARN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000046053554 557026363 /nfs/dbraw/zinc/02/63/63/557026363.db2.gz LKBTWCKAWFVRMD-UHFFFAOYSA-N 0 0 443.569 3.637 50 0 IHAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C)n1C ZINC000046046596 557027803 /nfs/dbraw/zinc/02/78/03/557027803.db2.gz WMNGOUHQJAXWEH-SFHVURJKSA-N 0 0 425.573 3.797 50 0 IHAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)c2cc1C ZINC000032944986 557028397 /nfs/dbraw/zinc/02/83/97/557028397.db2.gz PUXUJNFCFAKGLZ-CYBMUJFWSA-N 0 0 447.413 3.638 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000046074346 557030718 /nfs/dbraw/zinc/03/07/18/557030718.db2.gz WARRHGSPGJCXMH-SFHVURJKSA-N 0 0 448.548 3.732 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1C ZINC000046075596 557032384 /nfs/dbraw/zinc/03/23/84/557032384.db2.gz XFFBTQBLONSQDP-QGZVFWFLSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000046124654 557037554 /nfs/dbraw/zinc/03/75/54/557037554.db2.gz 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CCCc1nc(CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000022931983 557050590 /nfs/dbraw/zinc/05/05/90/557050590.db2.gz PSQLSLBLLCDERI-UHFFFAOYSA-N 0 0 442.507 3.751 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)cc1 ZINC000017306539 557052370 /nfs/dbraw/zinc/05/23/70/557052370.db2.gz BBVMRSRRPKWHJY-UHFFFAOYSA-N 0 0 441.509 3.797 50 0 IHAARN C[C@H](CNC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)N(C)c1ccccc1 ZINC000048286929 557052756 /nfs/dbraw/zinc/05/27/56/557052756.db2.gz NZZKVQINHULIFZ-GOSISDBHSA-N 0 0 430.504 3.944 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000033272935 557052875 /nfs/dbraw/zinc/05/28/75/557052875.db2.gz BBOVDAHJGYXSCB-UHFFFAOYSA-N 0 0 436.493 3.539 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048287541 557053219 /nfs/dbraw/zinc/05/32/19/557053219.db2.gz GGJRCLFVQOUHMI-UHFFFAOYSA-N 0 0 426.448 3.596 50 0 IHAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000033276025 557055003 /nfs/dbraw/zinc/05/50/03/557055003.db2.gz KOCDEHHSMHPNMV-UHFFFAOYSA-N 0 0 425.539 3.947 50 0 IHAARN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000023013961 557057816 /nfs/dbraw/zinc/05/78/16/557057816.db2.gz KUYQOZXLEALNEP-LJQANCHMSA-N 0 0 437.565 3.526 50 0 IHAARN Cc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)n2)cc1 ZINC000010872528 557058102 /nfs/dbraw/zinc/05/81/02/557058102.db2.gz ZFUGWHUKVAIYJA-QGZVFWFLSA-N 0 0 426.546 3.708 50 0 IHAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000023039988 557058823 /nfs/dbraw/zinc/05/88/23/557058823.db2.gz FVLDHLXYELDIQS-UHFFFAOYSA-N 0 0 435.524 3.923 50 0 IHAARN Cc1ccsc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000023040229 557059124 /nfs/dbraw/zinc/05/91/24/557059124.db2.gz RETDNHSZXUETDG-UHFFFAOYSA-N 0 0 432.611 3.605 50 0 IHAARN CCCCOc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(OC)cc2)cc1OC ZINC000048304190 557059253 /nfs/dbraw/zinc/05/92/53/557059253.db2.gz CEFGVCXBGJYWME-QFIPXVFZSA-N 0 0 442.556 3.686 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000010876133 557059854 /nfs/dbraw/zinc/05/98/54/557059854.db2.gz TXMKYZQAUQKWLC-UHFFFAOYSA-N 0 0 449.001 3.844 50 0 IHAARN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)OCCCO2 ZINC000023054344 557060178 /nfs/dbraw/zinc/06/01/78/557060178.db2.gz FBOZIDUUIPIJTI-GAJHUEQPSA-N 0 0 426.488 3.853 50 0 IHAARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 ZINC000048311001 557060974 /nfs/dbraw/zinc/06/09/74/557060974.db2.gz QMVRPRUVBIQWRK-UHFFFAOYSA-N 0 0 435.503 3.757 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000048300214 557062062 /nfs/dbraw/zinc/06/20/62/557062062.db2.gz GPQZYPONZZMNAF-HNNXBMFYSA-N 0 0 442.484 3.989 50 0 IHAARN Oc1ccccc1-c1nc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)no1 ZINC000048301673 557063081 /nfs/dbraw/zinc/06/30/81/557063081.db2.gz VSZJAWGVUXZOCS-UHFFFAOYSA-N 0 0 436.375 3.609 50 0 IHAARN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000023099802 557063183 /nfs/dbraw/zinc/06/31/83/557063183.db2.gz JJWWIQBYTBPPON-VWLOTQADSA-N 0 0 449.551 3.603 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3ccc(C(=O)NCc4ccccc4)cn32)c(F)c1 ZINC000033284572 557063916 /nfs/dbraw/zinc/06/39/16/557063916.db2.gz DCGNBJOQKBVKDQ-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 ZINC000023126368 557065442 /nfs/dbraw/zinc/06/54/42/557065442.db2.gz VBBCYTFMNRXIIT-UHFFFAOYSA-N 0 0 433.489 3.940 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(OC)c1 ZINC000051364620 557066238 /nfs/dbraw/zinc/06/62/38/557066238.db2.gz MDGBIYFWMGZKLV-UHFFFAOYSA-N 0 0 427.526 3.801 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 ZINC000051364621 557066259 /nfs/dbraw/zinc/06/62/59/557066259.db2.gz PXJHDGBENFSFKN-UHFFFAOYSA-N 0 0 439.537 3.960 50 0 IHAARN CC(=O)Nc1cccc(-n2c(S[C@@H](C(N)=O)c3ccc(F)cc3)nnc2C2CC2)c1 ZINC000023139795 557067703 /nfs/dbraw/zinc/06/77/03/557067703.db2.gz PFBSPOBKDDYNDN-GOSISDBHSA-N 0 0 425.489 3.561 50 0 IHAARN COc1ccc2c(C)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nc2c1 ZINC000048314228 557067838 /nfs/dbraw/zinc/06/78/38/557067838.db2.gz NMTSCDLOASBZML-UHFFFAOYSA-N 0 0 425.554 3.680 50 0 IHAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 ZINC000048333396 557068102 /nfs/dbraw/zinc/06/81/02/557068102.db2.gz GQSJCVSPGZQGBR-UHFFFAOYSA-N 0 0 439.466 3.653 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2cccc(C)c2)no1 ZINC000048326568 557068772 /nfs/dbraw/zinc/06/87/72/557068772.db2.gz QTRJSKZUSJNALJ-IBGZPJMESA-N 0 0 437.496 3.725 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)NCc2ccc(Cl)cc2)c1N ZINC000033291614 557069764 /nfs/dbraw/zinc/06/97/64/557069764.db2.gz GYGVCLVRRDAZJR-UHFFFAOYSA-N 0 0 436.903 3.764 50 0 IHAARN C[C@H](C(=O)Nc1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1)n1cncn1 ZINC000048332224 557069843 /nfs/dbraw/zinc/06/98/43/557069843.db2.gz VMIGVDXOQJDFEK-MRXNPFEDSA-N 0 0 449.515 3.516 50 0 IHAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)c(C)o1 ZINC000033291828 557070094 /nfs/dbraw/zinc/07/00/94/557070094.db2.gz GBECKMFGAJOKCV-UHFFFAOYSA-N 0 0 432.484 3.750 50 0 IHAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000048332530 557070184 /nfs/dbraw/zinc/07/01/84/557070184.db2.gz LAHBWKIURRTWBB-UHFFFAOYSA-N 0 0 436.487 3.958 50 0 IHAARN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c2cccs2)cc1 ZINC000048341276 557070822 /nfs/dbraw/zinc/07/08/22/557070822.db2.gz PXZFBPRVZMVVDZ-GFMPLVLUSA-N 0 0 441.641 3.836 50 0 IHAARN C[C@@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccc(F)cc4Cl)c23)C1 ZINC000033289435 557070926 /nfs/dbraw/zinc/07/09/26/557070926.db2.gz VFHDJZGISBWMRA-SNVBAGLBSA-N 0 0 445.907 3.662 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000023178080 557071014 /nfs/dbraw/zinc/07/10/14/557071014.db2.gz JIVVYNWCBOOECX-QFIPXVFZSA-N 0 0 439.943 3.894 50 0 IHAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000048342302 557071091 /nfs/dbraw/zinc/07/10/91/557071091.db2.gz JDERLGMPOJXKHA-ZIAGYGMSSA-N 0 0 439.387 3.564 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)c1 ZINC000033289579 557071319 /nfs/dbraw/zinc/07/13/19/557071319.db2.gz DUMBZSKFGVLQHM-IBGZPJMESA-N 0 0 434.496 3.652 50 0 IHAARN COCCN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000048344546 557071647 /nfs/dbraw/zinc/07/16/47/557071647.db2.gz TWTHFYIPGJKFIH-UHFFFAOYSA-N 0 0 434.517 3.833 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCSCC3)cc2)c1C(F)(F)F ZINC000048354181 557072571 /nfs/dbraw/zinc/07/25/71/557072571.db2.gz UZLAFYFNISEUCJ-UHFFFAOYSA-N 0 0 428.436 3.649 50 0 IHAARN O=C(NCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010893609 557073968 /nfs/dbraw/zinc/07/39/68/557073968.db2.gz JEFBSEIPZQGOEY-UHFFFAOYSA-N 0 0 441.578 3.527 50 0 IHAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048368885 557076008 /nfs/dbraw/zinc/07/60/08/557076008.db2.gz XIHUAXIBNDDGOM-UHFFFAOYSA-N 0 0 427.555 3.503 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 ZINC000023246936 557078008 /nfs/dbraw/zinc/07/80/08/557078008.db2.gz ACMDDYQGTZVQGX-DYVFJYSZSA-N 0 0 429.344 3.550 50 0 IHAARN COc1cc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)ccc3=O)n2)cc(OC)c1OC ZINC000033300400 557079717 /nfs/dbraw/zinc/07/97/17/557079717.db2.gz DPSQREMIYWQWME-UHFFFAOYSA-N 0 0 434.452 3.592 50 0 IHAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4ccccc4Br)no3)n2)cc1 ZINC000033300423 557080004 /nfs/dbraw/zinc/08/00/04/557080004.db2.gz LHZBEPBDBFSKNW-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)C ZINC000023277676 557081732 /nfs/dbraw/zinc/08/17/32/557081732.db2.gz DMHLXOOJOUICLK-CQSZACIVSA-N 0 0 446.997 3.608 50 0 IHAARN O=c1c2sccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1Cc1ccc(F)cc1 ZINC000048986904 557082566 /nfs/dbraw/zinc/08/25/66/557082566.db2.gz RXTNMGMYQDCFEO-UHFFFAOYSA-N 0 0 434.452 3.510 50 0 IHAARN Cc1cc(NC(=O)C2CCN(c3nc4nc[nH]c(=O)c4s3)CC2)ccc1Br ZINC000048987452 557082819 /nfs/dbraw/zinc/08/28/19/557082819.db2.gz ZMWVSAMQKBNURF-UHFFFAOYSA-N 0 0 448.346 3.718 50 0 IHAARN COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 ZINC000023200079 557083553 /nfs/dbraw/zinc/08/35/53/557083553.db2.gz HJACBEKIDOIVSD-UHFFFAOYSA-N 0 0 433.302 3.853 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)N[C@@H]2CCCc4ccccc42)c(=O)n3C(C)C)no1 ZINC000033306842 557084673 /nfs/dbraw/zinc/08/46/73/557084673.db2.gz VMEATRXTWIPSRM-HXUWFJFHSA-N 0 0 445.523 3.936 50 0 IHAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccccc2C)s1 ZINC000033306480 557085446 /nfs/dbraw/zinc/08/54/46/557085446.db2.gz PXEDVDUPZIUBLB-CSKARUKUSA-N 0 0 431.539 3.960 50 0 IHAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)NCc1ccccc1C ZINC000033308063 557087396 /nfs/dbraw/zinc/08/73/96/557087396.db2.gz MHQQBUWNAAUSKR-UHFFFAOYSA-N 0 0 433.537 3.733 50 0 IHAARN COc1cc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c(OC)cc1Cl ZINC000011323054 557088500 /nfs/dbraw/zinc/08/85/00/557088500.db2.gz SERBFZJPKGGRLG-UHFFFAOYSA-N 0 0 443.887 3.955 50 0 IHAARN CCc1ccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 ZINC000049002164 557089749 /nfs/dbraw/zinc/08/97/49/557089749.db2.gz XNSZOGVFXBJWEI-UHFFFAOYSA-N 0 0 446.551 3.969 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC(C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760042 557090421 /nfs/dbraw/zinc/09/04/21/557090421.db2.gz JRBFYYSOAPEDOM-RTWAWAEBSA-N 0 0 428.554 3.934 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411289 557091204 /nfs/dbraw/zinc/09/12/04/557091204.db2.gz KTGCWFFRVSWQRW-JOCHJYFZSA-N 0 0 441.491 3.947 50 0 IHAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000023417527 557091774 /nfs/dbraw/zinc/09/17/74/557091774.db2.gz WPCZWBWUIDSSSY-UHFFFAOYSA-N 0 0 435.549 3.615 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1 ZINC000033309867 557092643 /nfs/dbraw/zinc/09/26/43/557092643.db2.gz HNEZINUEWBJLEC-UHFFFAOYSA-N 0 0 449.580 3.933 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)nc23)cc1 ZINC000033309389 557092896 /nfs/dbraw/zinc/09/28/96/557092896.db2.gz ZOWWEZQIWLZDBH-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1F ZINC000033311742 557095719 /nfs/dbraw/zinc/09/57/19/557095719.db2.gz HBOLHQYNHKSKDJ-MRXNPFEDSA-N 0 0 426.488 3.658 50 0 IHAARN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(CC)c3ccccc3)ccc2c1=O ZINC000004766368 557096572 /nfs/dbraw/zinc/09/65/72/557096572.db2.gz XJKQJYUTIGECNE-UHFFFAOYSA-N 0 0 436.556 3.526 50 0 IHAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000033312500 557096940 /nfs/dbraw/zinc/09/69/40/557096940.db2.gz ZYXBZFIJQOUZGO-UHFFFAOYSA-N 0 0 428.279 3.812 50 0 IHAARN C[C@H](NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccc(F)cc1 ZINC000033312896 557097592 /nfs/dbraw/zinc/09/75/92/557097592.db2.gz SBBIODNPSLKWHA-UQBPGWFLSA-N 0 0 437.559 3.861 50 0 IHAARN COc1ccc(N(CCC(=O)Nc2ccncc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000017583523 557098778 /nfs/dbraw/zinc/09/87/78/557098778.db2.gz JDSBMDQAIHVSGP-UHFFFAOYSA-N 0 0 439.537 3.931 50 0 IHAARN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000049406784 557102136 /nfs/dbraw/zinc/10/21/36/557102136.db2.gz LZZXEDNSQGENFV-UHFFFAOYSA-N 0 0 440.906 3.833 50 0 IHAARN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1)c1cccc(F)c1 ZINC000049406792 557102258 /nfs/dbraw/zinc/10/22/58/557102258.db2.gz WUSIVZQWHVNEFZ-UHFFFAOYSA-N 0 0 426.879 3.904 50 0 IHAARN CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3)cn21 ZINC000049408220 557103115 /nfs/dbraw/zinc/10/31/15/557103115.db2.gz BCVKWKZEIKUASF-UHFFFAOYSA-N 0 0 440.500 3.835 50 0 IHAARN Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4ccc(Br)cc4)n3)nn2)cc1 ZINC000049410310 557105567 /nfs/dbraw/zinc/10/55/67/557105567.db2.gz AELSFWMQRYXNSU-UHFFFAOYSA-N 0 0 439.273 3.700 50 0 IHAARN Cc1ccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)cc1Cl ZINC000049411377 557106384 /nfs/dbraw/zinc/10/63/84/557106384.db2.gz LQZASSGSFCXLIA-UHFFFAOYSA-N 0 0 442.928 3.782 50 0 IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000023684333 557106482 /nfs/dbraw/zinc/10/64/82/557106482.db2.gz CCGVJBAXSFVXPB-UHFFFAOYSA-N 0 0 442.497 3.875 50 0 IHAARN CCCCc1c(C)n(CC(=O)NCc2ccccc2F)c2nc(-c3ccccc3)nn2c1=O ZINC000033324716 557106597 /nfs/dbraw/zinc/10/65/97/557106597.db2.gz BJHZULCLNDVQGV-UHFFFAOYSA-N 0 0 447.514 3.665 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 ZINC000023698531 557107317 /nfs/dbraw/zinc/10/73/17/557107317.db2.gz ORLPVWIZGRRYCK-UHFFFAOYSA-N 0 0 447.538 3.924 50 0 IHAARN CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 ZINC000049550253 557112961 /nfs/dbraw/zinc/11/29/61/557112961.db2.gz PFBRBTSRYYSASY-UHFFFAOYSA-N 0 0 446.536 3.897 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 ZINC000011363827 557113673 /nfs/dbraw/zinc/11/36/73/557113673.db2.gz RHTIZHJEMMQUAU-RHSMWYFYSA-N 0 0 427.501 3.834 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000011363098 557113698 /nfs/dbraw/zinc/11/36/98/557113698.db2.gz STVMOUKDLTUMGJ-UHFFFAOYSA-N 0 0 439.497 3.896 50 0 IHAARN COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(CCC(C)C)C1=O ZINC000033332118 557116953 /nfs/dbraw/zinc/11/69/53/557116953.db2.gz RICGDIMOVQJLSB-RUZDIDTESA-N 0 0 441.572 3.978 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000023819657 557119062 /nfs/dbraw/zinc/11/90/62/557119062.db2.gz ZSSDCYJPMOSXBE-UHFFFAOYSA-N 0 0 433.508 3.891 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004790172 557120559 /nfs/dbraw/zinc/12/05/59/557120559.db2.gz AAEYSVFQXAXLNV-UHFFFAOYSA-N 0 0 445.972 3.570 50 0 IHAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCc2cccnc2)cc1OC ZINC000004789893 557120642 /nfs/dbraw/zinc/12/06/42/557120642.db2.gz YFWHNXRKESCWAI-QHCPKHFHSA-N 0 0 431.492 3.502 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)O[C@H](C)C2 ZINC000024646471 557120976 /nfs/dbraw/zinc/12/09/76/557120976.db2.gz YYXQGHHWHBTXER-OAHLLOKOSA-N 0 0 438.553 3.581 50 0 IHAARN CSc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3)n2C)c1 ZINC000001121694 557121606 /nfs/dbraw/zinc/12/16/06/557121606.db2.gz XWSHQDRVYNRSSP-UHFFFAOYSA-N 0 0 441.582 3.757 50 0 IHAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023873239 557121925 /nfs/dbraw/zinc/12/19/25/557121925.db2.gz MLVCBKMLAPPEFY-UHFFFAOYSA-N 0 0 444.531 3.659 50 0 IHAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000023881432 557122691 /nfs/dbraw/zinc/12/26/91/557122691.db2.gz MMBNYUBDAAMOAV-UHFFFAOYSA-N 0 0 426.516 3.811 50 0 IHAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023881900 557122731 /nfs/dbraw/zinc/12/27/31/557122731.db2.gz JEAGZVBFOIGTPH-UHFFFAOYSA-N 0 0 428.488 3.604 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCCC1=CCCCC1 ZINC000004790483 557123841 /nfs/dbraw/zinc/12/38/41/557123841.db2.gz DXBSLMSAYLEGQO-KRWDZBQOSA-N 0 0 430.520 3.616 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000023883304 557123833 /nfs/dbraw/zinc/12/38/33/557123833.db2.gz FDQPLAJBYSDMJE-RUZDIDTESA-N 0 0 449.551 3.982 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 ZINC000023883497 557123908 /nfs/dbraw/zinc/12/39/08/557123908.db2.gz MFJMITLALOOXQV-BSEYFRJRSA-N 0 0 437.446 3.762 50 0 IHAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000023892611 557124215 /nfs/dbraw/zinc/12/42/15/557124215.db2.gz SLILEJCWVHZQMM-UHFFFAOYSA-N 0 0 445.519 3.855 50 0 IHAARN CCN(CCNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1cccc(C)c1 ZINC000017841422 557125576 /nfs/dbraw/zinc/12/55/76/557125576.db2.gz QOVYVCCMQNHFKR-UHFFFAOYSA-N 0 0 448.493 3.644 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)o1 ZINC000023934183 557125922 /nfs/dbraw/zinc/12/59/22/557125922.db2.gz CTHVTKHKJZVPKY-MRXNPFEDSA-N 0 0 438.553 3.801 50 0 IHAARN CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc21 ZINC000023971255 557128733 /nfs/dbraw/zinc/12/87/33/557128733.db2.gz YDMQDYBKIAZLSE-ZDUSSCGKSA-N 0 0 435.509 3.890 50 0 IHAARN Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000665604 557130921 /nfs/dbraw/zinc/13/09/21/557130921.db2.gz JWWFFADOVHOPOT-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000000664848 557131813 /nfs/dbraw/zinc/13/18/13/557131813.db2.gz IQRYPOSXWNBBHJ-PXLXIMEGSA-N 0 0 444.560 3.868 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCc3nnsc3Cl)cc2)cc1 ZINC000024078041 557135618 /nfs/dbraw/zinc/13/56/18/557135618.db2.gz RGKKKNZUNJIPCR-UHFFFAOYSA-N 0 0 437.930 3.682 50 0 IHAARN Cc1ccccc1[C@@H](OC[C@@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000024089764 557136139 /nfs/dbraw/zinc/13/61/39/557136139.db2.gz PEEUPWIFUCEXOQ-CWFNEYPQSA-N 0 0 436.552 3.963 50 0 IHAARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000017992391 557136675 /nfs/dbraw/zinc/13/66/75/557136675.db2.gz JRWJQHLSFXSIAT-IYWMVGAKSA-N 0 0 435.911 3.834 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1 ZINC000011403900 557142008 /nfs/dbraw/zinc/14/20/08/557142008.db2.gz PGVPGLYJINNFKD-UHFFFAOYSA-N 0 0 428.554 3.894 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000024302859 557143581 /nfs/dbraw/zinc/14/35/81/557143581.db2.gz SFFKJUHNVMAVAY-UHFFFAOYSA-N 0 0 437.540 3.927 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000024326427 557144215 /nfs/dbraw/zinc/14/42/15/557144215.db2.gz MEBKVCMSWQXNLD-UHFFFAOYSA-N 0 0 449.518 3.997 50 0 IHAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)c(C)c1 ZINC000024456928 557147468 /nfs/dbraw/zinc/14/74/68/557147468.db2.gz JIVJKICADPGLQY-UHFFFAOYSA-N 0 0 428.554 3.718 50 0 IHAARN Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)oc2c1C ZINC000011434895 557147458 /nfs/dbraw/zinc/14/74/58/557147458.db2.gz CAHUZVGMWKCTOF-UHFFFAOYSA-N 0 0 441.505 3.551 50 0 IHAARN Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000024525645 557150061 /nfs/dbraw/zinc/15/00/61/557150061.db2.gz 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COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cccs4)cs3)CC2=O)cc1OC ZINC000024749688 557161988 /nfs/dbraw/zinc/16/19/88/557161988.db2.gz DDQGCUIBSHRXBH-LBPRGKRZSA-N 0 0 429.523 3.880 50 0 IHAARN CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)ccc21 ZINC000011550269 557162234 /nfs/dbraw/zinc/16/22/34/557162234.db2.gz BEAAKUUNKBMSDU-UHFFFAOYSA-N 0 0 440.912 3.663 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000024749740 557162310 /nfs/dbraw/zinc/16/23/10/557162310.db2.gz LFYMXTOVMCXIIB-ZDUSSCGKSA-N 0 0 430.863 3.752 50 0 IHAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000024757372 557163633 /nfs/dbraw/zinc/16/36/33/557163633.db2.gz YHEVHHASOXCBOF-UHFFFAOYSA-N 0 0 438.519 3.723 50 0 IHAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1cn2ccsc2n1 ZINC000206895250 557165746 /nfs/dbraw/zinc/16/57/46/557165746.db2.gz MGGWBAPYCQXYAR-UHFFFAOYSA-N 0 0 443.488 3.870 50 0 IHAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000024808731 557168315 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C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000027324171 557260083 /nfs/dbraw/zinc/26/00/83/557260083.db2.gz ZGTVNPNMTQVRHV-INIZCTEOSA-N 0 0 425.506 3.652 50 0 IHAARN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000027359166 557260757 /nfs/dbraw/zinc/26/07/57/557260757.db2.gz SAHSYQWCOYPHOK-CQSZACIVSA-N 0 0 429.981 3.791 50 0 IHAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000101189998 557262899 /nfs/dbraw/zinc/26/28/99/557262899.db2.gz UVAZWQPBCIEZCG-RJGXRXQPSA-N 0 0 446.434 3.802 50 0 IHAARN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCc1nnc2ccccn21 ZINC000072271723 557263194 /nfs/dbraw/zinc/26/31/94/557263194.db2.gz OYRVUYSFSDPBLE-UHFFFAOYSA-N 0 0 446.898 3.628 50 0 IHAARN CCC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100560688 557264618 /nfs/dbraw/zinc/26/46/18/557264618.db2.gz OOLKYWSTWDQFQK-SFHVURJKSA-N 0 0 429.314 3.562 50 0 IHAARN CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000101261867 557265454 /nfs/dbraw/zinc/26/54/54/557265454.db2.gz ZAKUGGPVOJYUBM-RLFDGXBXSA-N 0 0 428.457 3.787 50 0 IHAARN Cc1cccn2c(=O)cc(CN(Cc3ccco3)Cc3ccc(C(=O)NC4CC4)cc3)nc12 ZINC000027576126 557266229 /nfs/dbraw/zinc/26/62/29/557266229.db2.gz SHDKZPFECBOONG-UHFFFAOYSA-N 0 0 442.519 3.691 50 0 IHAARN CCOCCCNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000027663495 557269736 /nfs/dbraw/zinc/26/97/36/557269736.db2.gz SEMXQLUANSRNGD-GOSISDBHSA-N 0 0 444.553 3.562 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000027664165 557270354 /nfs/dbraw/zinc/27/03/54/557270354.db2.gz MBNYXWWYELYPEF-XMMPIXPASA-N 0 0 441.443 3.962 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000013041274 557274017 /nfs/dbraw/zinc/27/40/17/557274017.db2.gz WVEXLOHTGGHTSU-RUZDIDTESA-N 0 0 431.492 3.996 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCC2 ZINC000027793593 557274453 /nfs/dbraw/zinc/27/44/53/557274453.db2.gz QHMMFUDPNMVMHW-UHFFFAOYSA-N 0 0 426.450 3.702 50 0 IHAARN COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCCn3ccnc3)c(=N)c21 ZINC000101365185 557277397 /nfs/dbraw/zinc/27/73/97/557277397.db2.gz LSJNRPCNJCIMNG-NRFANRHFSA-N 0 0 429.480 3.649 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000101061608 557282018 /nfs/dbraw/zinc/28/20/18/557282018.db2.gz YFMJVBFSQLUMIC-KRWDZBQOSA-N 0 0 430.249 3.947 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000101203836 557284717 /nfs/dbraw/zinc/28/47/17/557284717.db2.gz YOZPXADXKLIWKS-KURKYZTESA-N 0 0 435.833 3.894 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2nccnc2N)cs1)c1cccc(C(F)(F)F)c1 ZINC000014059935 557293768 /nfs/dbraw/zinc/29/37/68/557293768.db2.gz HOEISWIBOAGCDM-UHFFFAOYSA-N 0 0 437.403 3.576 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000101709975 557294262 /nfs/dbraw/zinc/29/42/62/557294262.db2.gz SOMTWHVDSPWKEG-NRFANRHFSA-N 0 0 441.553 3.846 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101878457 557296264 /nfs/dbraw/zinc/29/62/64/557296264.db2.gz HOWMAEFMTWUHGU-SOLBZPMBSA-N 0 0 438.530 3.631 50 0 IHAARN CCc1ccc(CNc2nn3c(nc(CNc4cc(Cl)ccc4OC)cc3=O)[nH]2)cc1 ZINC000101796976 557298658 /nfs/dbraw/zinc/29/86/58/557298658.db2.gz RWRRMYABSIWOMR-UHFFFAOYSA-N 0 0 438.919 3.866 50 0 IHAARN COc1ccc(Br)cc1/C=C/C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000013138158 557298908 /nfs/dbraw/zinc/29/89/08/557298908.db2.gz LWDSPBXGJWEFES-VMPITWQZSA-N 0 0 437.378 3.622 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4ccc(C)cc4C)c3=O)[nH]2)cc1 ZINC000101834920 557301617 /nfs/dbraw/zinc/30/16/17/557301617.db2.gz QLDWHGHVFHUPPV-UHFFFAOYSA-N 0 0 444.539 3.835 50 0 IHAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(OC)c3)C(=O)CC(C)C)nn2c1=O ZINC000101878664 557304647 /nfs/dbraw/zinc/30/46/47/557304647.db2.gz XKVWLOPYOSPJTB-UHFFFAOYSA-N 0 0 425.533 3.657 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc(Br)c1OC ZINC000014119205 557307425 /nfs/dbraw/zinc/30/74/25/557307425.db2.gz CCTUPHHDNZMRJF-UHFFFAOYSA-N 0 0 449.345 3.941 50 0 IHAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4ccccc4F)n3N)o2)cc1 ZINC000014138810 557309790 /nfs/dbraw/zinc/30/97/90/557309790.db2.gz VBULYLXFHGDGCN-LBPRGKRZSA-N 0 0 426.477 3.634 50 0 IHAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000032760751 557315312 /nfs/dbraw/zinc/31/53/12/557315312.db2.gz JTZYXHBMBJXZPF-HXUWFJFHSA-N 0 0 432.549 3.949 50 0 IHAARN CNC(=O)C1CCN(c2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)CC1 ZINC000032857662 557316443 /nfs/dbraw/zinc/31/64/43/557316443.db2.gz VGFRDHABGBYLAU-UHFFFAOYSA-N 0 0 426.542 3.646 50 0 IHAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)N1CCc2sccc2C1 ZINC000014205399 557317950 /nfs/dbraw/zinc/31/79/50/557317950.db2.gz ZRQLKXRETBLOEK-UHFFFAOYSA-N 0 0 425.506 3.880 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000102423280 557321731 /nfs/dbraw/zinc/32/17/31/557321731.db2.gz RYBNBHFZBHMLIX-WZONZLPQSA-N 0 0 448.567 3.907 50 0 IHAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000032987794 557321978 /nfs/dbraw/zinc/32/19/78/557321978.db2.gz KVOWWSYMWLOOBX-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ccc2=O)cc1 ZINC000033037870 557322748 /nfs/dbraw/zinc/32/27/48/557322748.db2.gz DAXMYZPQLWUZNW-UHFFFAOYSA-N 0 0 437.931 3.857 50 0 IHAARN CCn1c2ccccc2c2cc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000033040218 557322867 /nfs/dbraw/zinc/32/28/67/557322867.db2.gz GUWGKMBNUUAPLZ-OAHLLOKOSA-N 0 0 436.537 3.901 50 0 IHAARN O=C(CSc1nc2ccccc2n1CC(=O)NCc1ccco1)Nc1ccc(F)cc1 ZINC000033050775 557323103 /nfs/dbraw/zinc/32/31/03/557323103.db2.gz CUGPXBOWGGMJIB-UHFFFAOYSA-N 0 0 438.484 3.816 50 0 IHAARN CCN1CCN(CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)CC1 ZINC000102460414 557328836 /nfs/dbraw/zinc/32/88/36/557328836.db2.gz HXCPPYAJJZMZTH-UHFFFAOYSA-N 0 0 425.529 3.644 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC(n2cnc3ccc(Cl)cc3c2=O)CC1 ZINC000033278349 557329124 /nfs/dbraw/zinc/32/91/24/557329124.db2.gz QLCHKTRBQRFXDZ-UHFFFAOYSA-N 0 0 440.887 3.690 50 0 IHAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000014241421 557329166 /nfs/dbraw/zinc/32/91/66/557329166.db2.gz IQMQBVZKYWWVON-GFCCVEGCSA-N 0 0 440.776 3.984 50 0 IHAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000033262081 557329691 /nfs/dbraw/zinc/32/96/91/557329691.db2.gz MGZYWHNIJVEROW-UHFFFAOYSA-N 0 0 442.541 3.833 50 0 IHAARN O=C(Cc1cccc(F)c1)N1CCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000033282262 557331845 /nfs/dbraw/zinc/33/18/45/557331845.db2.gz VPBMHKKGZQFFRR-OAQYLSRUSA-N 0 0 437.540 3.842 50 0 IHAARN Cc1c(Cc2ccccc2)c(=O)n2nc(-c3ccccc3)nc2n1CC(=O)NC1CCCC1 ZINC000033324753 557333271 /nfs/dbraw/zinc/33/32/71/557333271.db2.gz PDBJLKADGVVTEB-UHFFFAOYSA-N 0 0 441.535 3.516 50 0 IHAARN COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3Br)C2=O)cc1OC ZINC000014281999 557333351 /nfs/dbraw/zinc/33/33/51/557333351.db2.gz IIZDVPBELBIHFZ-LJQANCHMSA-N 0 0 437.265 3.573 50 0 IHAARN CC[C@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)c1 ZINC000222139638 557334163 /nfs/dbraw/zinc/33/41/63/557334163.db2.gz AKUXIFWXCWERAH-PGRDOPGGSA-N 0 0 443.569 3.787 50 0 IHAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000033383837 557334480 /nfs/dbraw/zinc/33/44/80/557334480.db2.gz WQYOMHRBESKDLY-UHFFFAOYSA-N 0 0 437.565 3.640 50 0 IHAARN O=C(N[C@@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000836651 557336236 /nfs/dbraw/zinc/33/62/36/557336236.db2.gz UKQLUYPOWROZCA-NSHDSACASA-N 0 0 428.128 3.741 50 0 IHAARN O=C(/C=C/c1cccnc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000025344236 557361188 /nfs/dbraw/zinc/36/11/88/557361188.db2.gz QTPBUWORLWOTGK-MDWZMJQESA-N 0 0 439.581 3.676 50 0 IHAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N(C)CCc4ccccn4)c3)n2)o1 ZINC000023454569 557362210 /nfs/dbraw/zinc/36/22/10/557362210.db2.gz ZTECOTVTZRYTAA-UHFFFAOYSA-N 0 0 428.496 3.818 50 0 IHAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)C(C)C ZINC000023563969 557366828 /nfs/dbraw/zinc/36/68/28/557366828.db2.gz PKSFQCIPERBGFZ-JPYJTQIMSA-N 0 0 434.540 3.903 50 0 IHAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000220812755 557367198 /nfs/dbraw/zinc/36/71/98/557367198.db2.gz CIAXPCJCSSUDOQ-SJORKVTESA-N 0 0 428.533 3.739 50 0 IHAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)c1ccc(Cl)cc1 ZINC000011689600 557367537 /nfs/dbraw/zinc/36/75/37/557367537.db2.gz NDFCKXWDISFBPY-UHFFFAOYSA-N 0 0 448.928 3.696 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102682129 557368572 /nfs/dbraw/zinc/36/85/72/557368572.db2.gz QHWCEOJNUJKGCS-ZHALLVOQSA-N 0 0 432.307 3.538 50 0 IHAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000023646813 557370275 /nfs/dbraw/zinc/37/02/75/557370275.db2.gz CZTDNNDUESCVGH-QHCPKHFHSA-N 0 0 448.544 3.687 50 0 IHAARN COc1cc(OC)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl ZINC000023656070 557370874 /nfs/dbraw/zinc/37/08/74/557370874.db2.gz HFTCLSFRXDWRES-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN Brc1cccc(-c2nc(-c3n[nH]cc3NCc3ccc4c(c3)OCO4)n[nH]2)c1 ZINC000033829719 557377588 /nfs/dbraw/zinc/37/75/88/557377588.db2.gz UKOLBAXSNFAIHG-UHFFFAOYSA-N 0 0 439.273 3.965 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000024022537 557391263 /nfs/dbraw/zinc/39/12/63/557391263.db2.gz SFOUMFBIOQJWQA-UHFFFAOYSA-N 0 0 449.920 3.609 50 0 IHAARN CCOc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O ZINC000011694880 557392985 /nfs/dbraw/zinc/39/29/85/557392985.db2.gz WBBMFNAKLGKZHU-QQGDVQBRSA-N 0 0 427.892 3.694 50 0 IHAARN CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Cl)cc4)cc3)nn12 ZINC000013954784 557397441 /nfs/dbraw/zinc/39/74/41/557397441.db2.gz DGRYXCLXZDIPNG-UHFFFAOYSA-N 0 0 427.917 3.764 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)NC1CCCCC1 ZINC000013955987 557397980 /nfs/dbraw/zinc/39/79/80/557397980.db2.gz ZIOVPTODJRSMCV-UHFFFAOYSA-N 0 0 429.590 3.637 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000013956664 557398799 /nfs/dbraw/zinc/39/87/99/557398799.db2.gz CFFGJUIMNUHGOP-INIZCTEOSA-N 0 0 429.590 3.635 50 0 IHAARN CC[C@H]1CCCCN1C(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000004882552 557401248 /nfs/dbraw/zinc/40/12/48/557401248.db2.gz JPDBTUWNYQEMKX-KRWDZBQOSA-N 0 0 425.554 3.622 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000033499676 557402481 /nfs/dbraw/zinc/40/24/81/557402481.db2.gz JGBSRABGMMNOIZ-GOSISDBHSA-N 0 0 436.533 3.868 50 0 IHAARN CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CCN1C(=O)OC(C)(C)C ZINC000408516908 557411972 /nfs/dbraw/zinc/41/19/72/557411972.db2.gz AKHVSLFAGOVJTP-KSZLIROESA-N 0 0 431.581 3.704 50 0 IHAARN O=C1C[C@H](Nc2ccc3c(c2)NC(=O)CO3)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000103022342 557416675 /nfs/dbraw/zinc/41/66/75/557416675.db2.gz MXENPZUCDDWUAB-FQEVSTJZSA-N 0 0 429.432 3.554 50 0 IHAARN C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nc2ccccc2[nH]1 ZINC000223216629 557447194 /nfs/dbraw/zinc/44/71/94/557447194.db2.gz AZHDNVFDJJDWLK-CYBMUJFWSA-N 0 0 432.933 3.637 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000096279966 557450338 /nfs/dbraw/zinc/45/03/38/557450338.db2.gz UVSFZJNALBGXEI-FGZHOGPDSA-N 0 0 442.531 3.747 50 0 IHAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000104109985 557450354 /nfs/dbraw/zinc/45/03/54/557450354.db2.gz FZYMTOXTKACNBW-LSTDLKDCSA-N 0 0 434.964 3.913 50 0 IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102864368 557458368 /nfs/dbraw/zinc/45/83/68/557458368.db2.gz XHTNFIDJTKVFET-VAMGGRTRSA-N 0 0 430.888 3.612 50 0 IHAARN C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000104740712 557459858 /nfs/dbraw/zinc/45/98/58/557459858.db2.gz AWKDYEOKDJIXMV-QZTJIDSGSA-N 0 0 428.598 3.839 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)c3nnn(-c4ccc(C)c(Cl)c4)c3C)CC2)cc1 ZINC000051317438 557469203 /nfs/dbraw/zinc/46/92/03/557469203.db2.gz STCBMCMOXUYPDM-UHFFFAOYSA-N 0 0 437.931 3.703 50 0 IHAARN COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000051319379 557470289 /nfs/dbraw/zinc/47/02/89/557470289.db2.gz FTTXRUARZCEAPW-UHFFFAOYSA-N 0 0 427.888 3.740 50 0 IHAARN Cc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1 ZINC000047146092 557517543 /nfs/dbraw/zinc/51/75/43/557517543.db2.gz AMWJFSQWJZTIIL-UHFFFAOYSA-N 0 0 426.929 3.920 50 0 IHAARN COc1cccc(Cn2c(CNS(=O)(=O)c3cc(C)cc(C)c3)nc3cccnc32)c1 ZINC000047147414 557517800 /nfs/dbraw/zinc/51/78/00/557517800.db2.gz VLKVGLFNWABIPD-UHFFFAOYSA-N 0 0 436.537 3.584 50 0 IHAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000036695036 557519749 /nfs/dbraw/zinc/51/97/49/557519749.db2.gz OHZPOFBJAZNIIE-QFIPXVFZSA-N 0 0 445.519 3.967 50 0 IHAARN COc1ccc(CCNC(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)c(OC)c1 ZINC000012030801 557524021 /nfs/dbraw/zinc/52/40/21/557524021.db2.gz FONGNCDCOHWAER-UHFFFAOYSA-N 0 0 442.519 3.906 50 0 IHAARN C[C@@H](NC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccc(F)cc1 ZINC000106465865 557529553 /nfs/dbraw/zinc/52/95/53/557529553.db2.gz SBBIODNPSLKWHA-CLOONOSVSA-N 0 0 437.559 3.861 50 0 IHAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000044840492 557539361 /nfs/dbraw/zinc/53/93/61/557539361.db2.gz KEMXKCVQKIIPNC-IBGZPJMESA-N 0 0 433.552 3.616 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000108990360 557545038 /nfs/dbraw/zinc/54/50/38/557545038.db2.gz ASVSFFBKFRLWFC-GDBMZVCRSA-N 0 0 442.947 3.671 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000045896413 557545913 /nfs/dbraw/zinc/54/59/13/557545913.db2.gz KIGXBVLYJBAFKR-UHFFFAOYSA-N 0 0 440.887 3.560 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1OC ZINC000045961877 557554573 /nfs/dbraw/zinc/55/45/73/557554573.db2.gz VYLKKMFUANKHCC-UHFFFAOYSA-N 0 0 444.509 3.966 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC(CC(=O)N3CCCCCC3)CC2)c(C)c1C(=O)OC(C)C ZINC000045974014 557556035 /nfs/dbraw/zinc/55/60/35/557556035.db2.gz BMYSXCWJRYKHJP-UHFFFAOYSA-N 0 0 431.577 3.842 50 0 IHAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000039996273 557675214 /nfs/dbraw/zinc/67/52/14/557675214.db2.gz QSUFIOCRSZYAFO-GFUGXAQUSA-N 0 0 448.878 3.576 50 0 IHAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1nnc2ccccn21 ZINC000040119054 557696107 /nfs/dbraw/zinc/69/61/07/557696107.db2.gz VROASTUQUYMYSJ-UHFFFAOYSA-N 0 0 425.901 3.935 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cccnc3)C[C@@H]2C)c(Br)c1 ZINC000225390662 557717774 /nfs/dbraw/zinc/71/77/74/557717774.db2.gz FPTPDBYTAUCIOX-IRXDYDNUSA-N 0 0 432.362 3.653 50 0 IHAARN COc1ccc(CN(CC(=O)NCc2ccc(C)c(F)c2)[C@H](CCO)c2ccco2)cc1 ZINC000225424828 557721991 /nfs/dbraw/zinc/72/19/91/557721991.db2.gz VZROBRYLZIMFPX-HSZRJFAPSA-N 0 0 440.515 3.978 50 0 IHAARN CCC[C@H]1CCc2nc(NC(=O)[C@](C)(O)Cn3ccc4sccc4c3=O)sc2C1 ZINC000225443563 557723183 /nfs/dbraw/zinc/72/31/83/557723183.db2.gz JCRSPHFXJZBRLU-YEJXKQKISA-N 0 0 431.583 3.814 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)cc12 ZINC000225442366 557723205 /nfs/dbraw/zinc/72/32/05/557723205.db2.gz BIZQSWZVWNCHPZ-PEBXRYMYSA-N 0 0 429.517 3.614 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1occc1Br)c1c(C)nn(-c2ccccc2)c1C ZINC000225458657 557725066 /nfs/dbraw/zinc/72/50/66/557725066.db2.gz CWTDKHDNPDERJD-QGZVFWFLSA-N 0 0 446.301 3.879 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000040484480 557756244 /nfs/dbraw/zinc/75/62/44/557756244.db2.gz CKYRMWUCMLKUAR-NRFANRHFSA-N 0 0 435.484 3.540 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2Br)cc1F ZINC000225693399 557764824 /nfs/dbraw/zinc/76/48/24/557764824.db2.gz HVZGXWMAIYSPGS-UHFFFAOYSA-N 0 0 429.189 3.811 50 0 IHAARN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000226358138 557806147 /nfs/dbraw/zinc/80/61/47/557806147.db2.gz NTYHAIHECWWSLF-RVHYNSKXSA-N 0 0 435.476 3.661 50 0 IHAARN Cc1ccc(Cn2c(SCc3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000850867 557830779 /nfs/dbraw/zinc/83/07/79/557830779.db2.gz PNHFAPLPBDBVOB-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000853230 557830998 /nfs/dbraw/zinc/83/09/98/557830998.db2.gz KPJUBQLJFVKVOP-UHFFFAOYSA-N 0 0 429.929 3.631 50 0 IHAARN CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@@H](c2ccccc2Br)NC(=O)N1 ZINC000000863154 557836626 /nfs/dbraw/zinc/83/66/26/557836626.db2.gz OQXWAEMCGAXMOH-LLVKDONJSA-N 0 0 443.166 3.818 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000239352655 557844284 /nfs/dbraw/zinc/84/42/84/557844284.db2.gz ACWZZEXCAFZDMO-UHFFFAOYSA-N 0 0 430.434 3.636 50 0 IHAARN CCn1ncc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1C(F)(F)F ZINC000241588518 557846711 /nfs/dbraw/zinc/84/67/11/557846711.db2.gz PDVAVEPGIXIHOQ-HDJSIYSDSA-N 0 0 432.487 3.983 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C ZINC000000873174 557847956 /nfs/dbraw/zinc/84/79/56/557847956.db2.gz AQEMCCBCQNAXJC-UHFFFAOYSA-N 0 0 435.912 3.959 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cc(Cl)ccc2C)cc1 ZINC000000886888 557855757 /nfs/dbraw/zinc/85/57/57/557855757.db2.gz AWDUQNLYFKUASR-UHFFFAOYSA-N 0 0 443.956 3.864 50 0 IHAARN COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4c(-c5ccc(F)cc5)cnn43)C(=O)N1CC2 ZINC000001390395 562921632 /nfs/dbraw/zinc/92/16/32/562921632.db2.gz OTLIAQMNEJBBEC-FQEVSTJZSA-N 0 0 444.466 3.848 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000002423089 562927548 /nfs/dbraw/zinc/92/75/48/562927548.db2.gz MSFNKZKSAFAYQP-LSDHHAIUSA-N 0 0 427.975 3.693 50 0 IHAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(N(CCO)CCO)n1 ZINC000002454209 562927754 /nfs/dbraw/zinc/92/77/54/562927754.db2.gz FFTCERLLXSWOKT-UHFFFAOYSA-N 0 0 442.566 3.501 50 0 aggregator IHAARN COc1ccccc1N(C[C@@H](O)COc1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000002694492 562929866 /nfs/dbraw/zinc/92/98/66/562929866.db2.gz AQYFPPJCZUFPEF-LJQANCHMSA-N 0 0 427.522 3.639 50 0 IHAARN O=C(CN1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002847223 562930283 /nfs/dbraw/zinc/93/02/83/562930283.db2.gz FHZJDXDBFOGDKB-JOCHJYFZSA-N 0 0 442.357 3.805 50 0 IHAARN COc1cccc(NC(=O)c2nn(-c3ccc(OC)cc3OC)c(=O)c3ccccc32)c1 ZINC000002942948 562930975 /nfs/dbraw/zinc/93/09/75/562930975.db2.gz XJBBAOCSLUUGOB-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)n21 ZINC000002947888 562931043 /nfs/dbraw/zinc/93/10/43/562931043.db2.gz YLPWAELCMDZHCQ-VIFPVBQESA-N 0 0 436.340 3.853 50 0 IHAARN CC(=O)Oc1ccc(C=C(NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000002950289 562931116 /nfs/dbraw/zinc/93/11/16/562931116.db2.gz CCCGXLFGAPHUAK-STZFKDTASA-N 0 0 432.432 3.817 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003064225 562932441 /nfs/dbraw/zinc/93/24/41/562932441.db2.gz UQWGSAAPNMHDLT-ZHZULCJRSA-N 0 0 437.521 3.686 50 0 IHAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003281847 562933704 /nfs/dbraw/zinc/93/37/04/562933704.db2.gz OUAGYBRPWPNELJ-UHFFFAOYSA-N 0 0 449.212 3.924 50 0 aggregator IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C ZINC000003306221 562933977 /nfs/dbraw/zinc/93/39/77/562933977.db2.gz MBBJSPOZIYCHNF-SNVBAGLBSA-N 0 0 428.272 3.694 50 0 IHAARN O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1cccc(Cl)c1 ZINC000003310429 562934066 /nfs/dbraw/zinc/93/40/66/562934066.db2.gz GHFGMNYQDOZADJ-DHZHZOJOSA-N 0 0 430.913 3.741 50 0 IHAARN COc1ccc(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC ZINC000003332150 562934293 /nfs/dbraw/zinc/93/42/93/562934293.db2.gz YUVBJPSARHNILB-UHFFFAOYSA-N 0 0 440.452 3.683 50 0 IHAARN CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1=O ZINC000003391239 562935085 /nfs/dbraw/zinc/93/50/85/562935085.db2.gz MYLBQKKVKFTWPL-UHFFFAOYSA-N 0 0 429.860 3.518 50 0 IHAARN Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 ZINC000003450030 562936045 /nfs/dbraw/zinc/93/60/45/562936045.db2.gz BAAOBHVTIOMRBP-INIZCTEOSA-N 0 0 425.445 3.809 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000003465956 562936128 /nfs/dbraw/zinc/93/61/28/562936128.db2.gz AZGCEXRLQKZFHR-UHFFFAOYSA-N 0 0 430.489 3.975 50 0 IHAARN C[C@@H]1c2nc3ccccc3n2[C@H](CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000004003629 562940533 /nfs/dbraw/zinc/94/05/33/562940533.db2.gz HUYDUQHAOMXYAB-WZONZLPQSA-N 0 0 439.519 3.782 50 0 IHAARN C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000004003631 562940591 /nfs/dbraw/zinc/94/05/91/562940591.db2.gz HUYDUQHAOMXYAB-FDDCHVKYSA-N 0 0 439.519 3.782 50 0 IHAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)N1CCC2(CC1)OCCO2 ZINC000004057146 562941274 /nfs/dbraw/zinc/94/12/74/562941274.db2.gz YQGPDIKZNXOOII-UHFFFAOYSA-N 0 0 435.524 3.587 50 0 IHAARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)CC1 ZINC000006079827 562946157 /nfs/dbraw/zinc/94/61/57/562946157.db2.gz JPGIUONIZPRPCT-UHFFFAOYSA-N 0 0 447.944 3.619 50 0 IHAARN CCOC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C ZINC000006577569 562947672 /nfs/dbraw/zinc/94/76/72/562947672.db2.gz BAPULDMHDZMORO-UHFFFAOYSA-N 0 0 440.550 3.656 50 0 IHAARN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000008588122 562950580 /nfs/dbraw/zinc/95/05/80/562950580.db2.gz MWZMTNQOGFGLQQ-UHFFFAOYSA-N 0 0 434.518 3.762 50 0 IHAARN CC(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008590131 562951491 /nfs/dbraw/zinc/95/14/91/562951491.db2.gz OLWXGJVLBIQIAF-HXUWFJFHSA-N 0 0 439.533 3.746 50 0 IHAARN COc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c2=O)s1 ZINC000008592023 562952213 /nfs/dbraw/zinc/95/22/13/562952213.db2.gz KAODUXUKZKDUMM-CQSZACIVSA-N 0 0 449.536 3.929 50 0 IHAARN Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000008592501 562952329 /nfs/dbraw/zinc/95/23/29/562952329.db2.gz SGKBVKBPKJEQSG-QGZVFWFLSA-N 0 0 440.565 3.794 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCCc1ccc(C)cc1)nc2C ZINC000008593413 562952688 /nfs/dbraw/zinc/95/26/88/562952688.db2.gz PZNAHDGHKWBPPI-FQEVSTJZSA-N 0 0 443.551 3.736 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccc(Cl)c3)c(C)o2)c1 ZINC000008597842 562954093 /nfs/dbraw/zinc/95/40/93/562954093.db2.gz IWCUUFZSDCIOSH-UHFFFAOYSA-N 0 0 448.928 3.543 50 0 IHAARN COc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000008599422 562954729 /nfs/dbraw/zinc/95/47/29/562954729.db2.gz OIURJKQFYZHHAI-UHFFFAOYSA-N 0 0 430.508 3.746 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)cc1OC ZINC000008601681 562955528 /nfs/dbraw/zinc/95/55/28/562955528.db2.gz JQJLOLACADOSDZ-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 ZINC000008604351 562956357 /nfs/dbraw/zinc/95/63/57/562956357.db2.gz IXIJRTYUHKHIOS-UHFFFAOYSA-N 0 0 426.520 3.998 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc(=O)n12 ZINC000008606896 562957140 /nfs/dbraw/zinc/95/71/40/562957140.db2.gz VGGGYGACEYEQKN-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccncc1)c1ccccc1Br ZINC000008607107 562957210 /nfs/dbraw/zinc/95/72/10/562957210.db2.gz YMLSSXYUYGBXCL-UHFFFAOYSA-N 0 0 436.309 3.977 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3)cc2=O)s1 ZINC000008607491 562957279 /nfs/dbraw/zinc/95/72/79/562957279.db2.gz WPHBPZRVTLRNTO-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3)cc2=O)s1 ZINC000008607208 562957285 /nfs/dbraw/zinc/95/72/85/562957285.db2.gz RBYVLFSBHFEETO-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(C)cc4)CC3)ccc21 ZINC000008609330 562957771 /nfs/dbraw/zinc/95/77/71/562957771.db2.gz HBATXVQRGKDMGP-UHFFFAOYSA-N 0 0 440.569 3.898 50 0 IHAARN CCOc1ccc(N(Cc2ccccc2)C(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 ZINC000008611935 562958747 /nfs/dbraw/zinc/95/87/47/562958747.db2.gz ZMNIATBZPHXKRZ-UHFFFAOYSA-N 0 0 445.928 3.779 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008613983 562959523 /nfs/dbraw/zinc/95/95/23/562959523.db2.gz FUEFWRFPHNCFOI-UHFFFAOYSA-N 0 0 449.532 3.957 50 0 IHAARN COc1ccc(-n2nc(C(=O)Nc3ccc(C)cn3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008614684 562959693 /nfs/dbraw/zinc/95/96/93/562959693.db2.gz LXBIXQPCSPSDFS-UHFFFAOYSA-N 0 0 439.475 3.842 50 0 IHAARN O=C(COc1ccccc1F)Nc1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1 ZINC000008617310 562959740 /nfs/dbraw/zinc/95/97/40/562959740.db2.gz NNWWEMBFHWZRRV-UHFFFAOYSA-N 0 0 442.497 3.829 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)c(C)c2)cc1 ZINC000008673191 562961163 /nfs/dbraw/zinc/96/11/63/562961163.db2.gz RTYPJCINTRQAPA-UHFFFAOYSA-N 0 0 444.491 3.619 50 0 aggregator IHAARN CCn1c(=O)cc(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc21 ZINC000008680389 562961589 /nfs/dbraw/zinc/96/15/89/562961589.db2.gz TXMOLTDWWIORMJ-UHFFFAOYSA-N 0 0 428.510 3.778 50 0 IHAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000008680725 562961630 /nfs/dbraw/zinc/96/16/30/562961630.db2.gz TYWWHFTVOYQXKL-UHFFFAOYSA-N 0 0 436.537 3.912 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(-c2ccccc2)c1=O ZINC000008683823 562961999 /nfs/dbraw/zinc/96/19/99/562961999.db2.gz KAQOFMSVXXWDAM-UHFFFAOYSA-N 0 0 441.443 3.546 50 0 IHAARN CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 ZINC000008692392 562963602 /nfs/dbraw/zinc/96/36/02/562963602.db2.gz YMHHKMRDVOEKFH-UHFFFAOYSA-N 0 0 434.568 3.728 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12)c1ccccc1 ZINC000008757176 562963929 /nfs/dbraw/zinc/96/39/29/562963929.db2.gz NXTDRLQETVSXKY-TZIWHRDSSA-N 0 0 429.863 3.957 50 0 IHAARN O=C(OCc1cccc2ccccc21)c1ccc2c(c1)nc(CN1CCOCC1)[nH]c2=O ZINC000008763046 562964011 /nfs/dbraw/zinc/96/40/11/562964011.db2.gz ZUFSNCSRLLBMHU-UHFFFAOYSA-N 0 0 429.476 3.678 50 0 IHAARN Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1 ZINC000008824633 562964364 /nfs/dbraw/zinc/96/43/64/562964364.db2.gz GPJCQYLUHWLIQN-OAHLLOKOSA-N 0 0 425.539 3.525 50 0 IHAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCc3ccccn3)s2)CC1=O ZINC000008824631 562964429 /nfs/dbraw/zinc/96/44/29/562964429.db2.gz FYYKRZLWANMKTF-AWEZNQCLSA-N 0 0 425.539 3.525 50 0 IHAARN Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1 ZINC000008824635 562964464 /nfs/dbraw/zinc/96/44/64/562964464.db2.gz GPJCQYLUHWLIQN-HNNXBMFYSA-N 0 0 425.539 3.525 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)nc12 ZINC000008860184 562965258 /nfs/dbraw/zinc/96/52/58/562965258.db2.gz OSKOBOYZWUCWQU-UHFFFAOYSA-N 0 0 427.486 3.538 50 0 IHAARN CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000009206512 562968139 /nfs/dbraw/zinc/96/81/39/562968139.db2.gz LYTVDYUKOGNMQZ-UHFFFAOYSA-N 0 0 431.901 3.755 50 0 IHAARN O=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009448757 562971314 /nfs/dbraw/zinc/97/13/14/562971314.db2.gz NPMJXJQTDGWILP-UHFFFAOYSA-N 0 0 439.924 3.968 50 0 IHAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCSc1nc2ccccc2[nH]1 ZINC000009466917 562971726 /nfs/dbraw/zinc/97/17/26/562971726.db2.gz JBMLHGUXAUIQLZ-UHFFFAOYSA-N 0 0 436.459 3.950 50 0 IHAARN CCCCCCNC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009490213 562972003 /nfs/dbraw/zinc/97/20/03/562972003.db2.gz WXPXZNDIRXAFPR-UHFFFAOYSA-N 0 0 433.412 3.984 50 0 IHAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000009518838 562972795 /nfs/dbraw/zinc/97/27/95/562972795.db2.gz PUUJXXMNZHPLNL-UHFFFAOYSA-N 0 0 444.535 3.533 50 0 IHAARN COc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)c(OC)c1 ZINC000009599562 562973764 /nfs/dbraw/zinc/97/37/64/562973764.db2.gz WQFZICVJVZQBRF-UHFFFAOYSA-N 0 0 432.523 3.630 50 0 IHAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009632058 562974407 /nfs/dbraw/zinc/97/44/07/562974407.db2.gz VHXIUKISKNEAED-UHFFFAOYSA-N 0 0 437.359 3.805 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000009764599 562976655 /nfs/dbraw/zinc/97/66/55/562976655.db2.gz KHBFHAMFWFMYPZ-UHFFFAOYSA-N 0 0 426.904 3.862 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1 ZINC000009787081 562976945 /nfs/dbraw/zinc/97/69/45/562976945.db2.gz DJAZZQJULYRVMH-UHFFFAOYSA-N 0 0 436.287 3.545 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1Cl ZINC000009872921 562977711 /nfs/dbraw/zinc/97/77/11/562977711.db2.gz PVYIXRJPGKSXEJ-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009962096 562977994 /nfs/dbraw/zinc/97/79/94/562977994.db2.gz VMTFIMFDOWEXRX-INIZCTEOSA-N 0 0 429.929 3.928 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2ccccc2F)c1 ZINC000010186581 562978510 /nfs/dbraw/zinc/97/85/10/562978510.db2.gz SPQBSIWIDBXRRR-UHFFFAOYSA-N 0 0 427.432 3.773 50 0 IHAARN CCc1ccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000015935299 563018601 /nfs/dbraw/zinc/01/86/01/563018601.db2.gz VRKHYJCYSHZBFP-UHFFFAOYSA-N 0 0 439.581 3.695 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)C3=CSCCO3)C[C@H]2C)c1 ZINC000015942587 563019698 /nfs/dbraw/zinc/01/96/98/563019698.db2.gz UBIURSYLNRJNDN-GOSISDBHSA-N 0 0 437.565 3.889 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(=O)N[C@H](C)CCc1ccccc1)nc2C ZINC000015943016 563019894 /nfs/dbraw/zinc/01/98/94/563019894.db2.gz GJGCXYUTELQTLH-GOSISDBHSA-N 0 0 443.551 3.645 50 0 IHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000015944344 563020261 /nfs/dbraw/zinc/02/02/61/563020261.db2.gz JNMFLVDQBJNKSV-XGODZNJDSA-N 0 0 434.558 3.611 50 0 IHAARN CC1CCN(c2c(=O)c(=O)c2NCC2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1 ZINC000020418479 563024782 /nfs/dbraw/zinc/02/47/82/563024782.db2.gz BCWKHXPWSCEILF-UHFFFAOYSA-N 0 0 441.616 3.744 50 0 IHAARN CC(C)=C(NC(=O)c1ccccc1Br)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000038151013 563096594 /nfs/dbraw/zinc/09/65/94/563096594.db2.gz SWPVRBRZVOJDEO-UHFFFAOYSA-N 0 0 441.329 3.708 50 0 IHAARN COC(=O)c1ccnc(N2CCCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)c1 ZINC000106143642 568624999 /nfs/dbraw/zinc/62/49/99/568624999.db2.gz NHMDQRXVLUJABL-XMMPIXPASA-N 0 0 444.535 3.760 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2NC(c3ccccc3Cl)=NC2=N1 ZINC000000940696 568641693 /nfs/dbraw/zinc/64/16/93/568641693.db2.gz PBFONSBVHCJMIJ-INIZCTEOSA-N 0 0 444.720 3.540 50 0 IHAARN CCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000211032167 568644880 /nfs/dbraw/zinc/64/48/80/568644880.db2.gz IMQOHILGJKJGJU-WOJGMQOQSA-N 0 0 428.466 3.683 50 0 IHAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc(F)c4)cc2)N3)C1 ZINC000000989675 568649114 /nfs/dbraw/zinc/64/91/14/568649114.db2.gz HECLEHFXPNFZFH-FQEVSTJZSA-N 0 0 437.496 3.948 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/NCc3ccccn3)C2=O)cc1 ZINC000025265247 568649830 /nfs/dbraw/zinc/64/98/30/568649830.db2.gz QTEFXAWOMHUTFU-JWGURIENSA-N 0 0 427.460 3.576 50 0 IHAARN Cc1cccc(COc2cccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)c1 ZINC000025325118 568653526 /nfs/dbraw/zinc/65/35/26/568653526.db2.gz WDHMCRBDOYYWDA-UHFFFAOYSA-N 0 0 435.524 3.559 50 0 IHAARN Cc1cc(=O)oc2cc(OC(=O)CSc3nc(Cc4ccccc4)cc(=O)[nH]3)ccc12 ZINC000001056171 568654074 /nfs/dbraw/zinc/65/40/74/568654074.db2.gz LHQDEPKMOZBCQL-UHFFFAOYSA-N 0 0 434.473 3.886 50 0 biogenic IHAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)ccc1OC(C)C ZINC000001103680 568660407 /nfs/dbraw/zinc/66/04/07/568660407.db2.gz WTWSYIIJSFTQJP-MTJSOVHGSA-N 0 0 443.532 3.647 50 0 IHAARN COc1ccc2nc(Sc3ccccc3)c(C=C3C(=O)NC(=S)N3C(C)=O)cc2c1 ZINC000001158595 568664113 /nfs/dbraw/zinc/66/41/13/568664113.db2.gz HNNGDTJJAMTTKO-XDHOZWIPSA-N 0 0 435.530 3.999 50 0 IHAARN CCCCNC(=O)N(O)[C@@H]1N(CCc2ccc(OC)c(OC)c2)C(=S)SC1(C)C ZINC000015162298 568731883 /nfs/dbraw/zinc/73/18/83/568731883.db2.gz WEOWTVKMOFGSJZ-KRWDZBQOSA-N 0 0 441.619 3.886 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(N)s2)cc1 ZINC000015156466 568731931 /nfs/dbraw/zinc/73/19/31/568731931.db2.gz LKMDGANDTYPATK-KRWDZBQOSA-N 0 0 425.539 3.599 50 0 IHAARN CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000063366632 568739482 /nfs/dbraw/zinc/73/94/82/568739482.db2.gz STIBFMCYJADAHC-FGZHOGPDSA-N 0 0 447.000 3.520 50 0 IHAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000001942334 568742403 /nfs/dbraw/zinc/74/24/03/568742403.db2.gz GJOXDRXWRRDQRW-UHFFFAOYSA-N 0 0 434.835 3.936 50 0 IHAARN O=C(OCc1csc(Nc2ccccc2)n1)c1sccc1S(=O)(=O)NC1CC1 ZINC000012526525 568742517 /nfs/dbraw/zinc/74/25/17/568742517.db2.gz ORJWEGPFFMJCCU-UHFFFAOYSA-N 0 0 435.552 3.746 50 0 IHAARN CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccccc1 ZINC000003200968 568742958 /nfs/dbraw/zinc/74/29/58/568742958.db2.gz KGYYWENZXLVLNC-UHFFFAOYSA-N 0 0 449.488 3.893 50 0 IHAARN CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000043944081 568743875 /nfs/dbraw/zinc/74/38/75/568743875.db2.gz RVEYJJAHORVWAP-UHFFFAOYSA-N 0 0 425.504 3.556 50 0 IHAARN O=C(Cc1cccs1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012541775 568744030 /nfs/dbraw/zinc/74/40/30/568744030.db2.gz PNKZUICRUDJGSJ-UHFFFAOYSA-N 0 0 444.534 3.891 50 0 IHAARN Cc1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c(Cl)cc1Cl ZINC000043955988 568744459 /nfs/dbraw/zinc/74/44/59/568744459.db2.gz DJOQQAHGWGQASQ-UHFFFAOYSA-N 0 0 436.405 3.800 50 0 IHAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000043987376 568745179 /nfs/dbraw/zinc/74/51/79/568745179.db2.gz KPMURDXYVDRLQH-UHFFFAOYSA-N 0 0 427.452 3.539 50 0 IHAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000003300189 568745533 /nfs/dbraw/zinc/74/55/33/568745533.db2.gz JKXDRKDFOGAZKL-UHFFFAOYSA-N 0 0 438.958 3.897 50 0 IHAARN O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000044095770 568748083 /nfs/dbraw/zinc/74/80/83/568748083.db2.gz SKCVNESBOUEMGB-UHFFFAOYSA-N 0 0 427.867 3.764 50 0 IHAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC ZINC000003401275 568748456 /nfs/dbraw/zinc/74/84/56/568748456.db2.gz RYVZTONXVQZGFL-ZDUSSCGKSA-N 0 0 426.498 3.822 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc43)cc2)C1 ZINC000044272996 568750350 /nfs/dbraw/zinc/75/03/50/568750350.db2.gz ITEUKUJKJGEHBI-OKILXGFUSA-N 0 0 430.555 3.610 50 0 IHAARN COCCn1c(SCC(=O)N2CCCc3cccc(F)c32)nnc1-c1ccccc1 ZINC000025637764 568754813 /nfs/dbraw/zinc/75/48/13/568754813.db2.gz GIAUXNJPDRQNJX-UHFFFAOYSA-N 0 0 426.517 3.802 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1cc2ccccc2s1 ZINC000299798677 568757983 /nfs/dbraw/zinc/75/79/83/568757983.db2.gz RZQFAPFKSUOOAC-DEOSSOPVSA-N 0 0 436.533 3.918 50 0 IHAARN CSc1ccc(-c2ccc(C(=O)[O-])c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000299794794 568758012 /nfs/dbraw/zinc/75/80/12/568758012.db2.gz KOXHISODUGVMKF-KRWDZBQOSA-N 0 0 441.597 3.842 50 0 IHAARN COc1ccc(Br)cc1COC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C ZINC000015337810 568758364 /nfs/dbraw/zinc/75/83/64/568758364.db2.gz YWMRXYYCPSQMIN-FQEVSTJZSA-N 0 0 434.330 3.884 50 0 IHAARN O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025639539 568758667 /nfs/dbraw/zinc/75/86/67/568758667.db2.gz YAGMMFZOYSIOCM-OAQYLSRUSA-N 0 0 441.478 3.742 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015390873 568761457 /nfs/dbraw/zinc/76/14/57/568761457.db2.gz NYFBWCAYXANJRE-GOSISDBHSA-N 0 0 432.542 3.584 50 0 IHAARN COc1ccc(CCN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1OC ZINC000015427579 568762150 /nfs/dbraw/zinc/76/21/50/568762150.db2.gz OHWICVDHZSJIQY-UHFFFAOYSA-N 0 0 430.508 3.812 50 0 IHAARN CCOC(=O)C[C@H](NC(=O)c1cc2c(nc3ccccn3c2=O)s1)c1ccc(C)cc1 ZINC000015441506 568762305 /nfs/dbraw/zinc/76/23/05/568762305.db2.gz CKNIFRMPJJTQQY-KRWDZBQOSA-N 0 0 435.505 3.642 50 0 IHAARN COc1ccc(-n2c3nnc(SC)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001241868 568774520 /nfs/dbraw/zinc/77/45/20/568774520.db2.gz LHLFCISWNXHFBN-HNNXBMFYSA-N 0 0 442.566 3.923 50 0 IHAARN CS(=O)(=O)Nc1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1F ZINC000025670347 568774764 /nfs/dbraw/zinc/77/47/64/568774764.db2.gz XGVZSJWLEPTWRN-UHFFFAOYSA-N 0 0 443.485 3.516 50 0 IHAARN COc1cc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c(OC)cc1Cl ZINC000263618504 568777706 /nfs/dbraw/zinc/77/77/06/568777706.db2.gz UCUCEIBYSAWOGH-GOSISDBHSA-N 0 0 432.839 3.612 50 0 IHAARN COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@@H]1C(=O)Nc2ccccc21 ZINC000032123801 568781685 /nfs/dbraw/zinc/78/16/85/568781685.db2.gz AZEYUZWGGNXWLR-LJQANCHMSA-N 0 0 436.464 3.887 50 0 biogenic IHAARN COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cccc(OS(C)(=O)=O)c1 ZINC000004144844 568781931 /nfs/dbraw/zinc/78/19/31/568781931.db2.gz AVXRIKHBAJQYHS-UHFFFAOYSA-N 0 0 430.482 3.861 50 0 IHAARN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2N2CCCN12 ZINC000019171464 568782334 /nfs/dbraw/zinc/78/23/34/568782334.db2.gz ZAUDIALSROPSAO-SCTDSRPQSA-N 0 0 432.307 3.538 50 0 IHAARN COc1cccc(C2=NN(C(=O)c3ccccc3Br)[C@](O)(C(F)(F)F)C2)c1 ZINC000004163783 568782977 /nfs/dbraw/zinc/78/29/77/568782977.db2.gz UMNAYBZYYLLOLC-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1 ZINC000001387663 568784797 /nfs/dbraw/zinc/78/47/97/568784797.db2.gz DNQGBIFKJNVIML-UHFFFAOYSA-N 0 0 430.555 3.665 50 0 IHAARN COc1ccc(-n2nc(C(=O)NC3CCCCC3)/c(=N/C(=O)c3ccccc3)s2)cc1 ZINC000001409915 568787533 /nfs/dbraw/zinc/78/75/33/568787533.db2.gz RGCLCFMCYIGDFK-BZZOAKBMSA-N 0 0 436.537 3.746 50 0 IHAARN COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@@H]3C2)c(OC)c1 ZINC000001410295 568787911 /nfs/dbraw/zinc/78/79/11/568787911.db2.gz HARNOLVNZSGSSF-UNVFRBQDSA-N 0 0 434.536 3.829 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc2c(cc1Br)OCCO2 ZINC000084027011 568789878 /nfs/dbraw/zinc/78/98/78/568789878.db2.gz AKVGIXWSKWVPEM-UHFFFAOYSA-N 0 0 430.254 3.936 50 0 IHAARN CC[C@@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccccc1OC ZINC000004781533 568792167 /nfs/dbraw/zinc/79/21/67/568792167.db2.gz KUJHEMGTCFQFDX-QUCCMNQESA-N 0 0 428.529 3.737 50 0 IHAARN Cc1ccc(CNC(=O)COC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1 ZINC000084148844 568795251 /nfs/dbraw/zinc/79/52/51/568795251.db2.gz MTMDLWIDIRRQOZ-UHFFFAOYSA-N 0 0 428.286 3.621 50 0 IHAARN Cc1ccc2c(c1)C(=O)N(CCC(=O)NC1(c3ccc(Br)cc3)CCC1)C2=O ZINC000084207898 568796232 /nfs/dbraw/zinc/79/62/32/568796232.db2.gz QBRMGAIBPQORQA-UHFFFAOYSA-N 0 0 441.325 3.939 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2-c2ccc(C)cc2)cc1 ZINC000004212908 568797063 /nfs/dbraw/zinc/79/70/63/568797063.db2.gz TWVKPLSYHIGLSU-HXUWFJFHSA-N 0 0 438.553 3.639 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000084404966 568797826 /nfs/dbraw/zinc/79/78/26/568797826.db2.gz QWVYJZWSKOTQMH-HNNXBMFYSA-N 0 0 430.284 3.855 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000015595379 568799104 /nfs/dbraw/zinc/79/91/04/568799104.db2.gz KBEOALSGMZYBTF-FQEVSTJZSA-N 0 0 444.553 3.512 50 0 IHAARN COC(=O)c1occc1[C@@H]1NC(=O)N(c2cccc(Br)c2)C(C)=C1C(=O)OC ZINC000084677713 568799858 /nfs/dbraw/zinc/79/98/58/568799858.db2.gz YBACMPQMGTZINI-HNNXBMFYSA-N 0 0 449.257 3.547 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000015640827 568800691 /nfs/dbraw/zinc/80/06/91/568800691.db2.gz KIROABLZGUKKBP-UHFFFAOYSA-N 0 0 442.397 3.792 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC)n2)cc1 ZINC000015670179 568802120 /nfs/dbraw/zinc/80/21/20/568802120.db2.gz NDOYYHPXDSJYMD-SFHVURJKSA-N 0 0 442.479 3.524 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3)n2)cc1 ZINC000015670257 568802151 /nfs/dbraw/zinc/80/21/51/568802151.db2.gz NSYNTELUIMVXJD-SFHVURJKSA-N 0 0 430.443 3.655 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=S ZINC000001438458 568804395 /nfs/dbraw/zinc/80/43/95/568804395.db2.gz DSNBEBUULVOUNJ-SFHVURJKSA-N 0 0 433.936 3.868 50 0 IHAARN O=C(CCn1cnc2ccccc2c1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032492913 568811325 /nfs/dbraw/zinc/81/13/25/568811325.db2.gz IKJSLFIXORNHQG-UHFFFAOYSA-N 0 0 447.516 3.853 50 0 IHAARN CCCn1c(CN2CCSc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032538308 568812680 /nfs/dbraw/zinc/81/26/80/568812680.db2.gz DXEWYQYRNAFFCL-UHFFFAOYSA-N 0 0 430.599 3.809 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccc(OC)cc1 ZINC000005091104 568812739 /nfs/dbraw/zinc/81/27/39/568812739.db2.gz WBICTIBDGZJKQJ-AVRDEDQJSA-N 0 0 428.529 3.737 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)CC2)c1C ZINC000015730393 568813840 /nfs/dbraw/zinc/81/38/40/568813840.db2.gz AFISMRYLVQGNBY-MRXNPFEDSA-N 0 0 445.610 3.637 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nn3c(nc(C)cc3=O)s1)CC2 ZINC000012809458 568813963 /nfs/dbraw/zinc/81/39/63/568813963.db2.gz OEUDSQOTNYKDSK-QHCPKHFHSA-N 0 0 448.548 3.624 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc(Br)cc3)ccc2S1 ZINC000015730979 568814295 /nfs/dbraw/zinc/81/42/95/568814295.db2.gz JWBCBEZHYWKJQK-NSHDSACASA-N 0 0 441.372 3.750 50 0 IHAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1Cl ZINC000015731613 568814367 /nfs/dbraw/zinc/81/43/67/568814367.db2.gz ZJTPBKDOZRFOPI-UHFFFAOYSA-N 0 0 441.831 3.692 50 0 IHAARN C=C1C(N2CCC(C(=O)N3CCCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732955 568815452 /nfs/dbraw/zinc/81/54/52/568815452.db2.gz NJCMVOONJJCEQO-UHFFFAOYSA-N 0 0 443.613 3.891 50 0 IHAARN COc1cc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1Cl ZINC000011905628 568819457 /nfs/dbraw/zinc/81/94/57/568819457.db2.gz WUVMXQNERDTBPJ-UHFFFAOYSA-N 0 0 431.901 3.838 50 0 IHAARN Cc1cc2nc(COC(=O)c3ccc(NC(=O)CSc4ccccc4)cc3)cc(=O)n2o1 ZINC000015772196 568822694 /nfs/dbraw/zinc/82/26/94/568822694.db2.gz CYAQEZTVUHMUPX-UHFFFAOYSA-N 0 0 449.488 3.684 50 0 IHAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)CCc4ccccc4)c3)cc(=O)n2o1 ZINC000015772294 568822890 /nfs/dbraw/zinc/82/28/90/568822890.db2.gz DKLUAAIPGZSZMM-UHFFFAOYSA-N 0 0 431.448 3.524 50 0 IHAARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2OC)c2cccs2)cc1 ZINC000015780871 568825200 /nfs/dbraw/zinc/82/52/00/568825200.db2.gz FVXVIJYGWQAWJJ-FQEVSTJZSA-N 0 0 431.535 3.710 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780729 568825223 /nfs/dbraw/zinc/82/52/23/568825223.db2.gz XMVIWFFABZTNDE-FQEVSTJZSA-N 0 0 431.535 3.710 50 0 IHAARN CCOc1ccc(CC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015781137 568825762 /nfs/dbraw/zinc/82/57/62/568825762.db2.gz HHVMJCALFNLRNY-QFIPXVFZSA-N 0 0 443.521 3.561 50 0 IHAARN COc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c1OC ZINC000015781255 568825770 /nfs/dbraw/zinc/82/57/70/568825770.db2.gz MGNBJHFEXMULGG-FQEVSTJZSA-N 0 0 447.484 3.689 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000015783950 568826752 /nfs/dbraw/zinc/82/67/52/568826752.db2.gz VLKABSHRFRKMNX-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)c1 ZINC000085601857 568827185 /nfs/dbraw/zinc/82/71/85/568827185.db2.gz NYRRDRJIIBPFEO-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OCC ZINC000017201536 568828688 /nfs/dbraw/zinc/82/86/88/568828688.db2.gz GVHYDBKCJRNCLQ-ZHZULCJRSA-N 0 0 436.537 3.728 50 0 IHAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 ZINC000085642046 568828845 /nfs/dbraw/zinc/82/88/45/568828845.db2.gz UIDGSYDIZBYLCR-UHFFFAOYSA-N 0 0 426.498 3.537 50 0 IHAARN COc1cc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc(OC)c1 ZINC000085642038 568829115 /nfs/dbraw/zinc/82/91/15/568829115.db2.gz RNADIIMHAWVQJI-UHFFFAOYSA-N 0 0 443.525 3.519 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(Cl)cc1 ZINC000085648480 568830548 /nfs/dbraw/zinc/83/05/48/568830548.db2.gz OPTLCBGREFOWKT-UHFFFAOYSA-N 0 0 449.964 3.534 50 0 IHAARN COc1cc(Nc2nc(C(=O)NCc3cccnc3)cc3occc32)cc(OC)c1OC ZINC000085651313 568831845 /nfs/dbraw/zinc/83/18/45/568831845.db2.gz ZIQRBONUVVUXDT-UHFFFAOYSA-N 0 0 434.452 3.922 50 0 IHAARN CCCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1OCC ZINC000002508912 568838242 /nfs/dbraw/zinc/83/82/42/568838242.db2.gz FQTLMFZJHFYGTP-ZHZULCJRSA-N 0 0 437.521 3.562 50 0 IHAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1Br ZINC000001513469 568839361 /nfs/dbraw/zinc/83/93/61/568839361.db2.gz FGIJWMPUUUCFDO-GOSISDBHSA-N 0 0 431.286 3.829 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012855968 568839992 /nfs/dbraw/zinc/83/99/92/568839992.db2.gz ASVSFFBKFRLWFC-ZBFHGGJFSA-N 0 0 442.947 3.671 50 0 IHAARN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000004764725 568842057 /nfs/dbraw/zinc/84/20/57/568842057.db2.gz XPJZDZJUQJWXQX-GHTZIAJQSA-N 0 0 426.513 3.576 50 0 IHAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)C1=O ZINC000015858445 568846618 /nfs/dbraw/zinc/84/66/18/568846618.db2.gz HXLRUSQYCXLQLK-SNVBAGLBSA-N 0 0 446.834 3.924 50 0 IHAARN CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858435 568846623 /nfs/dbraw/zinc/84/66/23/568846623.db2.gz JLCOAOKDNWDLDI-ZDUSSCGKSA-N 0 0 436.917 3.692 50 0 IHAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccccc1)c1cccc2nsnc21 ZINC000015862741 568849127 /nfs/dbraw/zinc/84/91/27/568849127.db2.gz ORHHGIDXRBGWQV-UHFFFAOYSA-N 0 0 435.534 3.687 50 0 IHAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000015880248 568854225 /nfs/dbraw/zinc/85/42/25/568854225.db2.gz BUVJIJOQWGWTTP-UHFFFAOYSA-N 0 0 441.578 3.747 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 ZINC000015882154 568856624 /nfs/dbraw/zinc/85/66/24/568856624.db2.gz FHKFEFXDIWELKX-UHFFFAOYSA-N 0 0 437.525 3.503 50 0 IHAARN Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000016034919 568867600 /nfs/dbraw/zinc/86/76/00/568867600.db2.gz FQAZSDGOMZMZSF-KKSFZXQISA-N 0 0 432.501 3.553 50 0 IHAARN Cc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c2cnn(Cc3cccs3)c2n1 ZINC000012939210 568868014 /nfs/dbraw/zinc/86/80/14/568868014.db2.gz LRSPISVQVPOXSF-UHFFFAOYSA-N 0 0 437.500 3.699 50 0 IHAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)s1 ZINC000016047904 568869196 /nfs/dbraw/zinc/86/91/96/568869196.db2.gz VBRVZBGFPFZFEL-UHFFFAOYSA-N 0 0 449.510 3.971 50 0 IHAARN COc1ccc(-c2nc3scc(CCNC(=O)/C=C/c4ccccc4)n3n2)cc1OC ZINC000016047685 568869232 /nfs/dbraw/zinc/86/92/32/568869232.db2.gz BVGKBOOMGFCFTB-DHZHZOJOSA-N 0 0 434.521 3.847 50 0 IHAARN O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc2c(c1)CCCC2 ZINC000016049958 568869422 /nfs/dbraw/zinc/86/94/22/568869422.db2.gz BGJKFVPIDKHARO-UHFFFAOYSA-N 0 0 427.522 3.522 50 0 IHAARN COc1ccc(-c2nnc(COC(=O)CCC(=O)CCC(=O)c3cccs3)o2)cc1 ZINC000012940710 568869673 /nfs/dbraw/zinc/86/96/73/568869673.db2.gz FRAYAVFJRNMOJF-UHFFFAOYSA-N 0 0 428.466 3.862 50 0 IHAARN CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012941422 568869940 /nfs/dbraw/zinc/86/99/40/568869940.db2.gz RSBQQRJVAAZPIB-HXUWFJFHSA-N 0 0 432.611 3.993 50 0 IHAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000016085680 568869984 /nfs/dbraw/zinc/86/99/84/568869984.db2.gz VFTKBNOHWKWRCJ-UHFFFAOYSA-N 0 0 425.553 3.900 50 0 IHAARN Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012946439 568871344 /nfs/dbraw/zinc/87/13/44/568871344.db2.gz HNPMQVYRWOPSGE-UHFFFAOYSA-N 0 0 429.517 3.783 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016227003 568873473 /nfs/dbraw/zinc/87/34/73/568873473.db2.gz GDVZBKLQPBYCSK-UHFFFAOYSA-N 0 0 438.933 3.541 50 0 IHAARN CCOc1ccc(Cc2cc(C(=O)[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)ccc2Cl)cc1 ZINC000117571145 568877671 /nfs/dbraw/zinc/87/76/71/568877671.db2.gz TUBVOYXRJBKZBN-MLNNCEHLSA-N 0 0 432.900 3.750 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)CC2=O)cc1C ZINC000575606879 568878204 /nfs/dbraw/zinc/87/82/04/568878204.db2.gz MOPFRINPAXLCEP-MRXNPFEDSA-N 0 0 432.471 3.649 50 0 IHAARN O=S(=O)(c1cccc2ccccc21)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575612543 568879336 /nfs/dbraw/zinc/87/93/36/568879336.db2.gz LFXMEJNWNFYRMX-INIZCTEOSA-N 0 0 448.342 3.624 50 0 IHAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575613221 568879642 /nfs/dbraw/zinc/87/96/42/568879642.db2.gz PSDVINUQQVSEOL-ZDUSSCGKSA-N 0 0 449.330 3.542 50 0 IHAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1csc2ccccc21 ZINC000575622532 568883236 /nfs/dbraw/zinc/88/32/36/568883236.db2.gz ZSKBUFGJJIIZBK-FQEVSTJZSA-N 0 0 426.567 3.668 50 0 IHAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nc2)no1 ZINC000090558859 568887760 /nfs/dbraw/zinc/88/77/60/568887760.db2.gz UTWRVPHNTJWIOK-UHFFFAOYSA-N 0 0 444.539 3.638 50 0 IHAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000090594499 568889168 /nfs/dbraw/zinc/88/91/68/568889168.db2.gz UMJDINYWCPPWLV-INIZCTEOSA-N 0 0 438.871 3.805 50 0 IHAARN COc1cc(OC)c(NC(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1Cl ZINC000090607979 568890572 /nfs/dbraw/zinc/89/05/72/568890572.db2.gz GBCPWGILGCANSY-UHFFFAOYSA-N 0 0 443.895 3.519 50 0 IHAARN COc1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014094401 568892847 /nfs/dbraw/zinc/89/28/47/568892847.db2.gz UBCZVXKKLJZAEL-ZRDIBKRKSA-N 0 0 448.972 3.853 50 0 IHAARN CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1S(=O)(=O)N1CCCCC1 ZINC000013149510 568892939 /nfs/dbraw/zinc/89/29/39/568892939.db2.gz SKXYHMYYLSTJDT-SDNWHVSQSA-N 0 0 444.553 3.920 50 0 IHAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)N4CCc5ccccc5C4)c3s2)C1 ZINC000035533727 568893231 /nfs/dbraw/zinc/89/32/31/568893231.db2.gz KGFVVHXWQVUOIG-OAHLLOKOSA-N 0 0 439.610 4.000 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)C2)s1 ZINC000012982280 568894572 /nfs/dbraw/zinc/89/45/72/568894572.db2.gz JSRYQVQCNDXVJJ-ZBFHGGJFSA-N 0 0 426.991 3.988 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)C2)s1 ZINC000012982276 568894584 /nfs/dbraw/zinc/89/45/84/568894584.db2.gz JSRYQVQCNDXVJJ-GDBMZVCRSA-N 0 0 426.991 3.988 50 0 IHAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000032987913 568895774 /nfs/dbraw/zinc/89/57/74/568895774.db2.gz LKQIWVUAQCDHGQ-NEQMZLFVSA-N 0 0 448.592 3.937 50 0 IHAARN COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c(OC)c1 ZINC000033551805 568896200 /nfs/dbraw/zinc/89/62/00/568896200.db2.gz LUSWFVFOWKVZRQ-IOISIFEWSA-N 0 0 444.534 3.631 50 0 IHAARN CCc1ccc(OCc2cc(/C=C3\NC(=S)N(CCCOC)C3=O)ccc2OC)cc1 ZINC000035669603 568897148 /nfs/dbraw/zinc/89/71/48/568897148.db2.gz RDKXIUDBSPOCSE-QNGOZBTKSA-N 0 0 440.565 3.931 50 0 IHAARN CC(C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000012998711 568897796 /nfs/dbraw/zinc/89/77/96/568897796.db2.gz GPMXPDUZMTWNEF-XMMPIXPASA-N 0 0 432.568 3.685 50 0 IHAARN O=C(COc1ccc(F)cc1Br)Nc1ccccc1S(=O)(=O)C(F)F ZINC000013004616 568898951 /nfs/dbraw/zinc/89/89/51/568898951.db2.gz FZTXCZPVPNLKFI-UHFFFAOYSA-N 0 0 438.221 3.602 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000013007687 568899477 /nfs/dbraw/zinc/89/94/77/568899477.db2.gz FVAZFZMBRHHLEH-MRVPVSSYSA-N 0 0 425.297 3.950 50 0 IHAARN Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1 ZINC000013007596 568899483 /nfs/dbraw/zinc/89/94/83/568899483.db2.gz ICGCXPLDJXEAOG-MRXNPFEDSA-N 0 0 434.521 3.762 50 0 IHAARN Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 ZINC000013011189 568900202 /nfs/dbraw/zinc/90/02/02/568900202.db2.gz JKNCCCDKHXLBJK-UHFFFAOYSA-N 0 0 441.553 3.561 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)co2)c(C)c1 ZINC000013013104 568901297 /nfs/dbraw/zinc/90/12/97/568901297.db2.gz GPNHEQAPCZDYPZ-UHFFFAOYSA-N 0 0 447.507 3.743 50 0 IHAARN COc1cc2c(cc1OC)[C@H](NC(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 ZINC000524729174 568903617 /nfs/dbraw/zinc/90/36/17/568903617.db2.gz GZYZYDBVADMVHC-LJQANCHMSA-N 0 0 437.492 3.918 50 0 biogenic IHAARN COc1cc([C@@H](CC(=O)NCc2cccc3[nH]ccc32)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730478 568904160 /nfs/dbraw/zinc/90/41/60/568904160.db2.gz KRMMQXPPACUVJQ-GOSISDBHSA-N 0 0 448.475 3.688 50 0 biogenic IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCC[C@H]2C)Cc2ccco2)cc1 ZINC000239415242 568911481 /nfs/dbraw/zinc/91/14/81/568911481.db2.gz UBIHHMDQMJEJLR-UTKZUKDTSA-N 0 0 434.558 3.564 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CC2 ZINC000242038571 568912541 /nfs/dbraw/zinc/91/25/41/568912541.db2.gz VMFRXLRGUXWEOY-REHUZNOOSA-N 0 0 434.536 3.784 50 0 IHAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000242273657 568912559 /nfs/dbraw/zinc/91/25/59/568912559.db2.gz YESPYEMTMVMGDU-PZTGFMGMSA-N 0 0 432.536 3.551 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000245255827 568913794 /nfs/dbraw/zinc/91/37/94/568913794.db2.gz LLBZQKWRWQTAFY-WGSAOQKQSA-N 0 0 439.581 3.612 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000245329040 568915238 /nfs/dbraw/zinc/91/52/38/568915238.db2.gz XCJDYDWRJGYROE-HCXYKTFWSA-N 0 0 447.293 3.968 50 0 IHAARN Cc1cc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n2c2ccccc12 ZINC000001895878 568917711 /nfs/dbraw/zinc/91/77/11/568917711.db2.gz BRESLLPURJXERA-UHFFFAOYSA-N 0 0 437.550 3.571 50 0 IHAARN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000248340257 568919314 /nfs/dbraw/zinc/91/93/14/568919314.db2.gz UOUDTJKJGXFWJA-LWIATZKVSA-N 0 0 449.938 3.696 50 0 IHAARN CC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000089331031 568920390 /nfs/dbraw/zinc/92/03/90/568920390.db2.gz JBHAXBNKVGCIHN-UHFFFAOYSA-N 0 0 438.505 3.732 50 0 IHAARN CCOC(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000016609072 568925280 /nfs/dbraw/zinc/92/52/80/568925280.db2.gz LYICEAZFHZCPIZ-JOCHJYFZSA-N 0 0 437.565 3.956 50 0 IHAARN CCN1C(=S)N[C@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C(C(=O)OC)=C1C ZINC000016609940 568925629 /nfs/dbraw/zinc/92/56/29/568925629.db2.gz VYVXKCJKUQRKKK-OAQYLSRUSA-N 0 0 441.528 3.705 50 0 IHAARN CN1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)[C@H](c2ccccc2)C1 ZINC000026938394 568927484 /nfs/dbraw/zinc/92/74/84/568927484.db2.gz FJJKYRYDZXRSGV-DEOSSOPVSA-N 0 0 439.515 3.612 50 0 IHAARN CCN(CC)C(=O)Cn1cnc2sc(-c3nc(-c4ccccc4C)no3)c(C)c2c1=O ZINC000064439197 568928403 /nfs/dbraw/zinc/92/84/03/568928403.db2.gz VIXQOFVOICRZDA-UHFFFAOYSA-N 0 0 437.525 3.660 50 0 IHAARN Cc1cccc(NC(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c1 ZINC000064566457 568932684 /nfs/dbraw/zinc/93/26/84/568932684.db2.gz VSVYIZMSVXIIJX-UHFFFAOYSA-N 0 0 428.496 3.960 50 0 IHAARN CCc1ccc(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)cc1 ZINC000064567217 568933351 /nfs/dbraw/zinc/93/33/51/568933351.db2.gz KYNNEASEWFJNHF-UHFFFAOYSA-N 0 0 431.536 3.668 50 0 IHAARN Cc1ccc(Cl)cc1-n1ccn2c(SCC(=O)c3ccc(F)cc3)nnc2c1=O ZINC000064593771 568936008 /nfs/dbraw/zinc/93/60/08/568936008.db2.gz WORSABYEPPCBHU-UHFFFAOYSA-N 0 0 428.876 3.956 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)c(C)c1 ZINC000064593581 568936069 /nfs/dbraw/zinc/93/60/69/568936069.db2.gz QIKJXGDQLOVONI-UHFFFAOYSA-N 0 0 433.537 3.845 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000064611342 568939933 /nfs/dbraw/zinc/93/99/33/568939933.db2.gz VSKDYDQOTNVWSQ-HHHXNRCGSA-N 0 0 445.607 3.690 50 0 IHAARN COc1cccc(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068204 568945240 /nfs/dbraw/zinc/94/52/40/568945240.db2.gz RPYPPVBFPFXDOT-UHFFFAOYSA-N 0 0 437.496 3.753 50 0 IHAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)C(C)C)c1 ZINC000036083054 568947000 /nfs/dbraw/zinc/94/70/00/568947000.db2.gz GVUKEIGKISGKGU-UHFFFAOYSA-N 0 0 437.496 3.753 50 0 IHAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000036083710 568947364 /nfs/dbraw/zinc/94/73/64/568947364.db2.gz LCOFDHCZJAUDOT-FQEVSTJZSA-N 0 0 430.888 3.941 50 0 IHAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2F)c1=O ZINC000036085379 568948009 /nfs/dbraw/zinc/94/80/09/568948009.db2.gz UZMJSISVBWVHCJ-HNNXBMFYSA-N 0 0 448.429 3.534 50 0 IHAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)Nc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085811 568948331 /nfs/dbraw/zinc/94/83/31/568948331.db2.gz WEUKJKPEVKOGHG-MRXNPFEDSA-N 0 0 446.894 3.909 50 0 IHAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)Cc1ccccc1 ZINC000036105694 568953618 /nfs/dbraw/zinc/95/36/18/568953618.db2.gz BHTCFTODEMCLJW-UHFFFAOYSA-N 0 0 426.538 3.948 50 0 IHAARN Cc1cn2c(nc(COc3cccc(NC(=O)COc4cccc(C)c4)c3)cc2=O)s1 ZINC000064775684 568954708 /nfs/dbraw/zinc/95/47/08/568954708.db2.gz PLCOBAFZXYENNN-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(C(C)=O)cc4)c(=O)[nH]c3C2)cc1 ZINC000064775482 568954720 /nfs/dbraw/zinc/95/47/20/568954720.db2.gz RUBLJLMVJXCUNH-KRWDZBQOSA-N 0 0 430.460 3.751 50 0 IHAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(C)C ZINC000036117220 568955628 /nfs/dbraw/zinc/95/56/28/568955628.db2.gz AGRNWFIMKURNAU-HXUWFJFHSA-N 0 0 430.570 3.909 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000036118421 568955919 /nfs/dbraw/zinc/95/59/19/568955919.db2.gz KBEZJIGBJXVAFV-PONJGIIJSA-N 0 0 438.547 3.943 50 0 IHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(C)=O ZINC000036117547 568955938 /nfs/dbraw/zinc/95/59/38/568955938.db2.gz LVRYFJUTHSEDCT-IBGZPJMESA-N 0 0 430.570 3.766 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cccc(O)c2)n(C)c(=O)n(C)c3=O)c1 ZINC000064788262 568956634 /nfs/dbraw/zinc/95/66/34/568956634.db2.gz LJNJCPSXQXYXBL-QHCPKHFHSA-N 0 0 445.519 3.574 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C(C)C ZINC000036121852 568958045 /nfs/dbraw/zinc/95/80/45/568958045.db2.gz KZFTXRFYPUTTBQ-HXUWFJFHSA-N 0 0 444.597 3.692 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036123224 568958568 /nfs/dbraw/zinc/95/85/68/568958568.db2.gz QJDKPZKKSSJDBL-IBGZPJMESA-N 0 0 431.533 3.586 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036123243 568958574 /nfs/dbraw/zinc/95/85/74/568958574.db2.gz XUGAIYHRDYGMGZ-FQEVSTJZSA-N 0 0 445.560 3.976 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)Nc1ccc(F)cc1 ZINC000064792454 568959172 /nfs/dbraw/zinc/95/91/72/568959172.db2.gz LZFBIXBPOVIBMF-QFIPXVFZSA-N 0 0 426.455 3.901 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)N1CCc2ccccc2C1 ZINC000064792438 568959248 /nfs/dbraw/zinc/95/92/48/568959248.db2.gz KETZKNVZGGZXNE-VWLOTQADSA-N 0 0 448.530 3.709 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCC2)cc1 ZINC000064793413 568959587 /nfs/dbraw/zinc/95/95/87/568959587.db2.gz JLTKCBMXFQEVQI-QHCPKHFHSA-N 0 0 428.540 3.799 50 0 IHAARN COc1cccc(C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146492 568962699 /nfs/dbraw/zinc/96/26/99/568962699.db2.gz VSUOEWAHGMWLOZ-VWNXMTODSA-N 0 0 426.557 3.724 50 0 IHAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820707 568967215 /nfs/dbraw/zinc/96/72/15/568967215.db2.gz HPYFMYXMGHINND-UHFFFAOYSA-N 0 0 434.334 3.788 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NC(C)C)C(=O)N2Cc1ccc(F)cc1 ZINC000036162851 568967783 /nfs/dbraw/zinc/96/77/83/568967783.db2.gz NAUNHNDUVOWAAB-JOCHJYFZSA-N 0 0 429.517 3.701 50 0 IHAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1ccccc1F ZINC000036165888 568968404 /nfs/dbraw/zinc/96/84/04/568968404.db2.gz VLCPNSLBAWCDPU-QHCPKHFHSA-N 0 0 426.513 3.909 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167525 568968575 /nfs/dbraw/zinc/96/85/75/568968575.db2.gz BDWIPCQUPKIFND-JOCHJYFZSA-N 0 0 430.476 3.658 50 0 IHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000064835784 568969001 /nfs/dbraw/zinc/96/90/01/568969001.db2.gz BDGNIAOOUAKKEU-UHFFFAOYSA-N 0 0 445.972 3.951 50 0 IHAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842392 568970761 /nfs/dbraw/zinc/97/07/61/568970761.db2.gz LJSOKRNKNHSPIE-HXUWFJFHSA-N 0 0 446.507 3.944 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)c3c(C)onc3c2=O)cc1 ZINC000064842736 568971077 /nfs/dbraw/zinc/97/10/77/568971077.db2.gz BTIMXCQSAQJIRP-CQSZACIVSA-N 0 0 448.479 3.967 50 0 IHAARN COc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)cc1OC ZINC000064847332 568971259 /nfs/dbraw/zinc/97/12/59/568971259.db2.gz UELPPGZNCLLWAU-UHFFFAOYSA-N 0 0 429.492 3.793 50 0 IHAARN Cc1nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859183 568972434 /nfs/dbraw/zinc/97/24/34/568972434.db2.gz YPAMLCISKKRMRL-UHFFFAOYSA-N 0 0 438.531 3.716 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1 ZINC000064859481 568972487 /nfs/dbraw/zinc/97/24/87/568972487.db2.gz VEONPQXJOARMGV-UHFFFAOYSA-N 0 0 443.503 3.700 50 0 IHAARN CCOC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000036205029 568972705 /nfs/dbraw/zinc/97/27/05/568972705.db2.gz FOLSMWSCKMCQCP-AEFFLSMTSA-N 0 0 441.597 3.509 50 0 IHAARN CC(C)CC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@H]2C)CC1 ZINC000036209057 568973591 /nfs/dbraw/zinc/97/35/91/568973591.db2.gz GIDBHNHCYHJXNJ-DYESRHJHSA-N 0 0 433.618 3.532 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862035 568973964 /nfs/dbraw/zinc/97/39/64/568973964.db2.gz MDYLARLSLDGOEU-UHFFFAOYSA-N 0 0 429.542 3.901 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862253 568974087 /nfs/dbraw/zinc/97/40/87/568974087.db2.gz OCWVBHSGMFBNTA-UHFFFAOYSA-N 0 0 443.569 3.579 50 0 IHAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccc(F)cc1 ZINC000064866902 568974797 /nfs/dbraw/zinc/97/47/97/568974797.db2.gz NLYDIFJXBAZZKX-UHFFFAOYSA-N 0 0 446.500 3.586 50 0 IHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000064866729 568974858 /nfs/dbraw/zinc/97/48/58/568974858.db2.gz KBCILNDNXNFYMB-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210787 568975198 /nfs/dbraw/zinc/97/51/98/568975198.db2.gz RSRWKZQHVBHUSB-AUSIDOKSSA-N 0 0 429.605 3.539 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036210689 568975215 /nfs/dbraw/zinc/97/52/15/568975215.db2.gz NIGHHAVDOJVNFW-RDPSFJRHSA-N 0 0 449.595 3.869 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036211815 568975610 /nfs/dbraw/zinc/97/56/10/568975610.db2.gz MDWZYBQEGPGMTR-DEOSSOPVSA-N 0 0 449.595 3.823 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036211990 568975798 /nfs/dbraw/zinc/97/57/98/568975798.db2.gz XZFFOWKQTAEAEZ-PGRDOPGGSA-N 0 0 429.605 3.683 50 0 IHAARN Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCCC2)CC1 ZINC000036212392 568976159 /nfs/dbraw/zinc/97/61/59/568976159.db2.gz QMRAYTOKTYRLLM-DEOSSOPVSA-N 0 0 447.579 3.658 50 0 IHAARN CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036212726 568976616 /nfs/dbraw/zinc/97/66/16/568976616.db2.gz DYIPQHHYCHBMJK-UTKZUKDTSA-N 0 0 441.597 3.560 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036212876 568976846 /nfs/dbraw/zinc/97/68/46/568976846.db2.gz OLLUMTWQABUUNN-DEOSSOPVSA-N 0 0 449.595 3.726 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1 ZINC000064871942 568977937 /nfs/dbraw/zinc/97/79/37/568977937.db2.gz POVYYNXGCOAQTO-UHFFFAOYSA-N 0 0 444.534 3.921 50 0 IHAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000064888853 568979550 /nfs/dbraw/zinc/97/95/50/568979550.db2.gz NWOSNYFZPJZFPU-UHFFFAOYSA-N 0 0 432.933 3.503 50 0 IHAARN CCCn1c2ccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc2nc(C)c1=O ZINC000064890393 568981331 /nfs/dbraw/zinc/98/13/31/568981331.db2.gz FSPWTIAPFIQCFZ-IBGZPJMESA-N 0 0 435.484 3.885 50 0 IHAARN CCN(C)C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036251013 568984374 /nfs/dbraw/zinc/98/43/74/568984374.db2.gz HMJHGMIWVWACPA-LJQANCHMSA-N 0 0 426.388 3.788 50 0 IHAARN CC(C)CC(=O)N1CCN([C@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252401 568984381 /nfs/dbraw/zinc/98/43/81/568984381.db2.gz YQRHZYCDHIAZAE-ZCYQVOJMSA-N 0 0 425.617 3.929 50 0 IHAARN O=C(NCC1CC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036254491 568984757 /nfs/dbraw/zinc/98/47/57/568984757.db2.gz OCMZAFHQRNYXEC-HXUWFJFHSA-N 0 0 437.506 3.548 50 0 IHAARN COc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1 ZINC000036255334 568984912 /nfs/dbraw/zinc/98/49/12/568984912.db2.gz OEOYSOXSMQHSMD-RUZDIDTESA-N 0 0 449.595 3.637 50 0 IHAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2C)c(C)c1 ZINC000064922302 568985979 /nfs/dbraw/zinc/98/59/79/568985979.db2.gz VXDXSKOVIAXRGM-UHFFFAOYSA-N 0 0 446.617 3.915 50 0 IHAARN COc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1Cl ZINC000064925261 568986404 /nfs/dbraw/zinc/98/64/04/568986404.db2.gz GPGVBLPLMRJNOE-UHFFFAOYSA-N 0 0 428.924 3.578 50 0 IHAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCc1ccccc1 ZINC000064924778 568986465 /nfs/dbraw/zinc/98/64/65/568986465.db2.gz ABONWWSQIJYUOT-UHFFFAOYSA-N 0 0 432.572 3.561 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)c1 ZINC000064925559 568986563 /nfs/dbraw/zinc/98/65/63/568986563.db2.gz LAVAYCMUSHYAGJ-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN O=C(Nc1cccc(F)c1)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064927968 568986730 /nfs/dbraw/zinc/98/67/30/568986730.db2.gz RZZKJVZIQBBYDZ-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NCc1ccccc1F)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000064928028 568986750 /nfs/dbraw/zinc/98/67/50/568986750.db2.gz BSLJWXUGNBJSJO-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN CCc1ccc(-n2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc2=O)cc1 ZINC000064927286 568987151 /nfs/dbraw/zinc/98/71/51/568987151.db2.gz PAQUZBZJCAMGGI-UHFFFAOYSA-N 0 0 444.579 3.760 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927558 568987311 /nfs/dbraw/zinc/98/73/11/568987311.db2.gz GWCMKTKJAZODNK-UHFFFAOYSA-N 0 0 440.906 3.558 50 0 IHAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928386 568987619 /nfs/dbraw/zinc/98/76/19/568987619.db2.gz QVTGDGFSVMAGKG-GOSISDBHSA-N 0 0 426.536 3.817 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928588 568987742 /nfs/dbraw/zinc/98/77/42/568987742.db2.gz VLOYDUPZUXILOM-TZIWHRDSSA-N 0 0 448.542 3.726 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000064928799 568987838 /nfs/dbraw/zinc/98/78/38/568987838.db2.gz CRHZWTPBDCXQGU-LJQANCHMSA-N 0 0 436.943 3.727 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929992 568988385 /nfs/dbraw/zinc/98/83/85/568988385.db2.gz YLTJLBODFYTSGX-GOSISDBHSA-N 0 0 440.500 3.844 50 0 IHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064929989 568988471 /nfs/dbraw/zinc/98/84/71/568988471.db2.gz CXMACZURNXIAAK-KRWDZBQOSA-N 0 0 428.464 3.975 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000169679995 568990493 /nfs/dbraw/zinc/99/04/93/568990493.db2.gz LFDRODZBCTVGLP-UKILVPOCSA-N 0 0 431.536 3.781 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]23)cc1 ZINC000169679331 568991022 /nfs/dbraw/zinc/99/10/22/568991022.db2.gz DTLPHAZFBLJDJI-BDYUSTAISA-N 0 0 441.575 3.922 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064941685 568991317 /nfs/dbraw/zinc/99/13/17/568991317.db2.gz ZUIAIHIUIXVGGV-KRWDZBQOSA-N 0 0 446.529 3.764 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000169681030 568991489 /nfs/dbraw/zinc/99/14/89/568991489.db2.gz DUCOYTMBCBQSRC-ZEQRLZLVSA-N 0 0 446.613 3.934 50 0 IHAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1 ZINC000169680434 568991738 /nfs/dbraw/zinc/99/17/38/568991738.db2.gz XYCNPRRWCIEZGX-CYFREDJKSA-N 0 0 439.625 3.719 50 0 IHAARN CCN(CC)c1ccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)c(C)c1 ZINC000064945560 568992949 /nfs/dbraw/zinc/99/29/49/568992949.db2.gz VLPLEOKFSJKXBV-UHFFFAOYSA-N 0 0 438.557 3.516 50 0 IHAARN O=C(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)NCc1ccc(Cl)cc1 ZINC000064945241 568993362 /nfs/dbraw/zinc/99/33/62/568993362.db2.gz PGRDJFUYKFBKOH-UHFFFAOYSA-N 0 0 442.928 3.879 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000064945182 568993392 /nfs/dbraw/zinc/99/33/92/568993392.db2.gz COQGVMWHGGBMRA-UHFFFAOYSA-N 0 0 438.509 3.947 50 0 IHAARN CCCn1c2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2sc1=O ZINC000064946812 568993756 /nfs/dbraw/zinc/99/37/56/568993756.db2.gz TVXUSHYHUNOPFA-UHFFFAOYSA-N 0 0 445.610 3.601 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C)CC5)c(C)c1 ZINC000064945888 568994040 /nfs/dbraw/zinc/99/40/40/568994040.db2.gz JLKRGODOXSNRND-GFCCVEGCSA-N 0 0 435.553 3.794 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@@H](C)CC5)c(C)c1 ZINC000064945890 568994139 /nfs/dbraw/zinc/99/41/39/568994139.db2.gz JLKRGODOXSNRND-LBPRGKRZSA-N 0 0 435.553 3.794 50 0 IHAARN O=c1n(Cc2cccc(Cl)c2)nc2n1c1ccsc1c(=O)n2CCc1ccccc1 ZINC000064946323 568994259 /nfs/dbraw/zinc/99/42/59/568994259.db2.gz SSFONNXZNHXNEW-UHFFFAOYSA-N 0 0 436.924 3.817 50 0 IHAARN COc1ccccc1Cn1c2nn(Cc3cc(C)ccc3C)c(=O)n2c2ccsc2c1=O ZINC000064946407 568994337 /nfs/dbraw/zinc/99/43/37/568994337.db2.gz RCDQGIQBHSISNQ-UHFFFAOYSA-N 0 0 446.532 3.594 50 0 IHAARN CCc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3oc2=O)no1 ZINC000064947141 568995138 /nfs/dbraw/zinc/99/51/38/568995138.db2.gz HPGHHJFBXOCCFE-UHFFFAOYSA-N 0 0 442.497 3.512 50 0 IHAARN COc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(F)cc3)C3CCCC3)CC2)cc1 ZINC000036311163 568996895 /nfs/dbraw/zinc/99/68/95/568996895.db2.gz FZZGFAXHILMQEX-HSZRJFAPSA-N 0 0 439.531 3.790 50 0 IHAARN Cc1cccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)c1 ZINC000036311966 568997427 /nfs/dbraw/zinc/99/74/27/568997427.db2.gz MCVGGORYLDIEMN-DEOSSOPVSA-N 0 0 449.551 3.679 50 0 IHAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313294 568998497 /nfs/dbraw/zinc/99/84/97/568998497.db2.gz BZXKCSOOEAUSCC-SFHVURJKSA-N 0 0 445.535 3.871 50 0 IHAARN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 ZINC000064957073 568999278 /nfs/dbraw/zinc/99/92/78/568999278.db2.gz UNCPACUCUCCUMC-UHFFFAOYSA-N 0 0 426.325 3.641 50 0 IHAARN Cc1ccc(-n2c3nc(-c4ccco4)nc(C(N)=O)c3n(Cc3ccccc3)c2=O)cc1C ZINC000064966046 569001121 /nfs/dbraw/zinc/00/11/21/569001121.db2.gz LFPRCTLITYPCIP-UHFFFAOYSA-N 0 0 439.475 3.606 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2C)c1 ZINC000064967679 569001423 /nfs/dbraw/zinc/00/14/23/569001423.db2.gz JPGUXWLSJMPWGZ-UHFFFAOYSA-N 0 0 433.468 3.868 50 0 IHAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000064969136 569076145 /nfs/dbraw/zinc/07/61/45/569076145.db2.gz KSHFVYOUIWASLZ-UHFFFAOYSA-N 0 0 429.476 3.982 50 0 IHAARN O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCc1cccs1 ZINC000064971568 569076736 /nfs/dbraw/zinc/07/67/36/569076736.db2.gz LDYKAOMGMZUFTQ-UHFFFAOYSA-N 0 0 438.484 3.589 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1 ZINC000064977049 569077383 /nfs/dbraw/zinc/07/73/83/569077383.db2.gz ATMUCXYCVDEAIQ-UHFFFAOYSA-N 0 0 440.496 3.516 50 0 IHAARN CCCn1nnc2cc(C(=O)NCCC(=O)Nc3ccc(Br)c(C)c3)ccc21 ZINC000064977749 569077623 /nfs/dbraw/zinc/07/76/23/569077623.db2.gz NVPBCGGXMQGNPE-UHFFFAOYSA-N 0 0 444.333 3.671 50 0 IHAARN COc1cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc(OC)c1OC ZINC000064978161 569077684 /nfs/dbraw/zinc/07/76/84/569077684.db2.gz UUDJUZKGJCDTBI-UHFFFAOYSA-N 0 0 446.503 3.845 50 0 IHAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccncc1)c1ccc(Br)o1 ZINC000064978270 569077850 /nfs/dbraw/zinc/07/78/50/569077850.db2.gz AVJGYJGWDONJFV-UHFFFAOYSA-N 0 0 426.270 3.570 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)c4ccccc4Br)nn32)cc1 ZINC000064980383 569078561 /nfs/dbraw/zinc/07/85/61/569078561.db2.gz UWWABAJBFCKOGN-UHFFFAOYSA-N 0 0 430.287 3.876 50 0 IHAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC ZINC000036346162 569080420 /nfs/dbraw/zinc/08/04/20/569080420.db2.gz OMGYNBODZQNDNH-JOCHJYFZSA-N 0 0 439.556 3.737 50 0 IHAARN O=C(NC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985647 569081979 /nfs/dbraw/zinc/08/19/79/569081979.db2.gz OWMDPNVUMRRCME-FQEVSTJZSA-N 0 0 434.945 3.745 50 0 IHAARN O=C(NCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985649 569081988 /nfs/dbraw/zinc/08/19/88/569081988.db2.gz AWYRLMNQGWKXRB-NRFANRHFSA-N 0 0 442.924 3.613 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc2c(cc1N1CCSCC1)Oc1ccccc1NC2=O ZINC000064986615 569082261 /nfs/dbraw/zinc/08/22/61/569082261.db2.gz PPEINXITBWAZPF-UHFFFAOYSA-N 0 0 447.582 3.628 50 0 IHAARN O=Cc1cn(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccc(Br)cc12 ZINC000064987015 569082574 /nfs/dbraw/zinc/08/25/74/569082574.db2.gz KLFMTWPVZAEDQP-UHFFFAOYSA-N 0 0 443.297 3.694 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(-c3cc4c(cc3C)OCCCO4)n2C)c1 ZINC000064987126 569082589 /nfs/dbraw/zinc/08/25/89/569082589.db2.gz CFSOAXXQZSESFD-UHFFFAOYSA-N 0 0 440.525 3.691 50 0 IHAARN COc1cc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc(OC)c1 ZINC000064988963 569082938 /nfs/dbraw/zinc/08/29/38/569082938.db2.gz JGMZVDUEIYGAIW-UHFFFAOYSA-N 0 0 438.528 3.638 50 0 IHAARN CN1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)[C@H](c2ccccc2)C1 ZINC000064989139 569083007 /nfs/dbraw/zinc/08/30/07/569083007.db2.gz ZVOALXWYDTZSMI-DEOSSOPVSA-N 0 0 427.552 3.873 50 0 IHAARN COc1ccc(OCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000064989928 569083120 /nfs/dbraw/zinc/08/31/20/569083120.db2.gz ZIURMKPTAHDDET-GOSISDBHSA-N 0 0 430.504 3.982 50 0 IHAARN O=C(NCc1nnc(C(=O)Nc2ccccc2)s1)Nc1ccccc1Br ZINC000064991431 569083694 /nfs/dbraw/zinc/08/36/94/569083694.db2.gz XOOWRNVEUWJJGY-UHFFFAOYSA-N 0 0 432.303 3.875 50 0 IHAARN O=C([O-])[C@H](c1c[nH]c2cc(CO)ccc21)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000036353594 569084116 /nfs/dbraw/zinc/08/41/16/569084116.db2.gz QJSDHHPRZJFUDN-NRFANRHFSA-N 0 0 448.350 3.911 50 0 IHAARN CCCc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064991586 569084578 /nfs/dbraw/zinc/08/45/78/569084578.db2.gz QTOJNFREGQWIRJ-UHFFFAOYSA-N 0 0 430.555 3.530 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064991775 569084716 /nfs/dbraw/zinc/08/47/16/569084716.db2.gz BUCWSXGFCXKCGJ-UHFFFAOYSA-N 0 0 448.545 3.607 50 0 IHAARN O=C(NC1CC1)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000064996120 569085052 /nfs/dbraw/zinc/08/50/52/569085052.db2.gz CYLBEYRTZJHOSA-CQSZACIVSA-N 0 0 425.356 3.559 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1 ZINC000064999677 569086183 /nfs/dbraw/zinc/08/61/83/569086183.db2.gz VWNUSIFFPHLHNV-UHFFFAOYSA-N 0 0 442.562 3.997 50 0 IHAARN COc1ccc([C@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000036366582 569087272 /nfs/dbraw/zinc/08/72/72/569087272.db2.gz XENPMCDZVARYLL-VXKWHMMOSA-N 0 0 426.476 3.543 50 0 IHAARN COc1ccc(F)cc1-c1cc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)ncn1 ZINC000065008091 569087368 /nfs/dbraw/zinc/08/73/68/569087368.db2.gz OWZPOWGKTUFQAI-UHFFFAOYSA-N 0 0 435.503 3.632 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000065006356 569087376 /nfs/dbraw/zinc/08/73/76/569087376.db2.gz WTIQPAHFSRVYPK-HXUWFJFHSA-N 0 0 441.597 3.964 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000065006982 569087473 /nfs/dbraw/zinc/08/74/73/569087473.db2.gz KTHMXGHHEMAMCW-HNNXBMFYSA-N 0 0 445.560 3.605 50 0 IHAARN Cc1ccccc1-c1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)ncn1 ZINC000065007626 569087725 /nfs/dbraw/zinc/08/77/25/569087725.db2.gz SVEJTSJJHDNDTG-UHFFFAOYSA-N 0 0 431.496 3.577 50 0 IHAARN COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000036369921 569088409 /nfs/dbraw/zinc/08/84/09/569088409.db2.gz JEGKNCPQVVNRLL-UHFFFAOYSA-N 0 0 445.523 3.978 50 0 biogenic IHAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021136 569088716 /nfs/dbraw/zinc/08/87/16/569088716.db2.gz YBKQAUATAWYRPM-UHFFFAOYSA-N 0 0 430.526 3.554 50 0 IHAARN COc1cccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c32)c1 ZINC000065024892 569089857 /nfs/dbraw/zinc/08/98/57/569089857.db2.gz PLGGFDFCYKWDRT-UHFFFAOYSA-N 0 0 432.480 3.914 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 ZINC000065027083 569090138 /nfs/dbraw/zinc/09/01/38/569090138.db2.gz KFGCHRAPMFMVGC-IBGZPJMESA-N 0 0 439.443 3.554 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2nc3c4ccccc4oc3c(N3CCOCC3)n2)cc1 ZINC000065024971 569090255 /nfs/dbraw/zinc/09/02/55/569090255.db2.gz GCYOLMDGSPUDET-UHFFFAOYSA-N 0 0 446.463 3.642 50 0 IHAARN O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000169752553 569093280 /nfs/dbraw/zinc/09/32/80/569093280.db2.gz CZTPYEZWEXWUQE-UHFFFAOYSA-N 0 0 443.290 3.601 50 0 IHAARN COc1ccc(CC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC ZINC000169753509 569093646 /nfs/dbraw/zinc/09/36/46/569093646.db2.gz RPSVNUGBMMGDMD-LJQANCHMSA-N 0 0 438.503 3.561 50 0 IHAARN O=C(Cc1ccccc1Br)N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000169754176 569093698 /nfs/dbraw/zinc/09/36/98/569093698.db2.gz MWYFPJRVXBBJIH-AWEZNQCLSA-N 0 0 431.359 3.838 50 0 IHAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169754063 569093758 /nfs/dbraw/zinc/09/37/58/569093758.db2.gz IUMTVQZRFIVOEV-QGZVFWFLSA-N 0 0 429.293 3.987 50 0 IHAARN O=C(CCc1ccccc1)NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169754445 569093820 /nfs/dbraw/zinc/09/38/20/569093820.db2.gz FOKIWYQZLZDGTA-UHFFFAOYSA-N 0 0 430.464 3.683 50 0 IHAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)c1 ZINC000169758949 569093979 /nfs/dbraw/zinc/09/39/79/569093979.db2.gz KNPMMDRSOVKUIL-HSZRJFAPSA-N 0 0 444.535 3.954 50 0 IHAARN Cc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(Cl)cc3)NC2=O)c(Cl)c1 ZINC000169757849 569094130 /nfs/dbraw/zinc/09/41/30/569094130.db2.gz WKXXPRKAIZTEGB-LJQANCHMSA-N 0 0 446.290 3.818 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000169757876 569094147 /nfs/dbraw/zinc/09/41/47/569094147.db2.gz QWBULVIHPSUUHH-IBGZPJMESA-N 0 0 446.290 3.818 50 0 IHAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059327 569096075 /nfs/dbraw/zinc/09/60/75/569096075.db2.gz JVXDYROOUASUOF-IBGZPJMESA-N 0 0 426.991 3.817 50 0 IHAARN C[C@@]1(C(=O)NCc2cccc(F)c2)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059650 569096207 /nfs/dbraw/zinc/09/62/07/569096207.db2.gz GBNRSXGZXJPQEO-GOSISDBHSA-N 0 0 430.954 3.648 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061879 569096842 /nfs/dbraw/zinc/09/68/42/569096842.db2.gz NHDOJUAFRJIUOP-INIZCTEOSA-N 0 0 436.599 3.500 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ccc(C)cc3)C2)s1 ZINC000036391523 569097342 /nfs/dbraw/zinc/09/73/42/569097342.db2.gz QXGNOSFNYFWMGG-KRWDZBQOSA-N 0 0 438.640 3.674 50 0 IHAARN COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CCC(=O)N2CCCCC2)no1 ZINC000065076025 569099173 /nfs/dbraw/zinc/09/91/73/569099173.db2.gz PBDNOKARHKNNEC-UHFFFAOYSA-N 0 0 432.484 3.560 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075144 569099492 /nfs/dbraw/zinc/09/94/92/569099492.db2.gz GCSDKLURNHYYFA-AREMUKBSSA-N 0 0 430.504 3.982 50 0 IHAARN COc1cc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)cc(OC)c1 ZINC000065075254 569099547 /nfs/dbraw/zinc/09/95/47/569099547.db2.gz QKJRTLCVUJEGIB-HHHXNRCGSA-N 0 0 444.531 3.977 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ZINC000065078258 569100471 /nfs/dbraw/zinc/10/04/71/569100471.db2.gz CKUPVYSAELSFOH-HNNXBMFYSA-N 0 0 432.567 3.786 50 0 IHAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000065077874 569100739 /nfs/dbraw/zinc/10/07/39/569100739.db2.gz AUOAEQNCZDOFFO-OAHLLOKOSA-N 0 0 432.567 3.929 50 0 IHAARN COc1cccc(N2CCN(C(=O)Cc3csc4nc(-c5ccccc5)cn34)CC2)c1 ZINC000065079201 569101057 /nfs/dbraw/zinc/10/10/57/569101057.db2.gz ZRNXIHGBJXNSDZ-UHFFFAOYSA-N 0 0 432.549 3.963 50 0 IHAARN CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)C1 ZINC000065080546 569101129 /nfs/dbraw/zinc/10/11/29/569101129.db2.gz SSRAEGSFQRMPRM-HOCLYGCPSA-N 0 0 427.574 3.930 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)NC[C@@H]4CCCO4)C3)sc12 ZINC000065080890 569101215 /nfs/dbraw/zinc/10/12/15/569101215.db2.gz JCVMEAXUXGHQSL-MJGOQNOKSA-N 0 0 439.585 3.610 50 0 IHAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(C)ccc4C)ccn3n2)cc1 ZINC000169775880 569101938 /nfs/dbraw/zinc/10/19/38/569101938.db2.gz KYGNZTXLOJLETA-UHFFFAOYSA-N 0 0 430.508 3.609 50 0 IHAARN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NCc2ccc(F)cc2)CO3)cc1 ZINC000065082705 569102391 /nfs/dbraw/zinc/10/23/91/569102391.db2.gz SNQPTTLAZABXQC-IBGZPJMESA-N 0 0 434.467 3.954 50 0 IHAARN O=C(N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1)C1(c2ccccc2)CC1 ZINC000169778038 569102616 /nfs/dbraw/zinc/10/26/16/569102616.db2.gz XIAVYFWFZBNSNS-IBGZPJMESA-N 0 0 426.480 3.500 50 0 IHAARN CC(C)c1noc(-c2cn(C3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)nn2)n1 ZINC000169780513 569102972 /nfs/dbraw/zinc/10/29/72/569102972.db2.gz CXSJLYNENTYIOU-CQSZACIVSA-N 0 0 444.923 3.736 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nnc(-c3nc(-c4ccc(C)cc4)no3)n2C)cc1 ZINC000065099923 569104810 /nfs/dbraw/zinc/10/48/10/569104810.db2.gz RNCKKTJYQZLQSG-UHFFFAOYSA-N 0 0 434.525 3.557 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)cc1 ZINC000065099537 569105214 /nfs/dbraw/zinc/10/52/14/569105214.db2.gz VGIFSXXXMAWCAL-UHFFFAOYSA-N 0 0 434.525 3.622 50 0 IHAARN C[C@H](NC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 ZINC000006901436 569105734 /nfs/dbraw/zinc/10/57/34/569105734.db2.gz ZNAIIZDDCVSWCH-SFHVURJKSA-N 0 0 425.554 3.693 50 0 IHAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000065115831 569106999 /nfs/dbraw/zinc/10/69/99/569106999.db2.gz LEGOTVZUUOIVQD-UHFFFAOYSA-N 0 0 427.482 3.920 50 0 IHAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000065116576 569107449 /nfs/dbraw/zinc/10/74/49/569107449.db2.gz YTXOCKQCKFJNTQ-UHFFFAOYSA-N 0 0 446.554 3.760 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000065112078 569107961 /nfs/dbraw/zinc/10/79/61/569107961.db2.gz AOBYKPYVOMQPAC-UHFFFAOYSA-N 0 0 431.489 3.843 50 0 IHAARN Cc1nnc(-c2cccnc2N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000065117836 569108790 /nfs/dbraw/zinc/10/87/90/569108790.db2.gz QQWMCUKEFUGXPC-UHFFFAOYSA-N 0 0 432.406 3.813 50 0 IHAARN CSc1ccccc1NC(=O)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065130104 569109006 /nfs/dbraw/zinc/10/90/06/569109006.db2.gz JJXOVDYYNXAIKQ-UHFFFAOYSA-N 0 0 437.565 3.774 50 0 IHAARN CC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)C(=O)C3=O)cc2)cc1 ZINC000065130145 569109073 /nfs/dbraw/zinc/10/90/73/569109073.db2.gz FEUUTZFSZDTLLM-UHFFFAOYSA-N 0 0 441.487 3.517 50 0 IHAARN CCc1ccccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130279 569109202 /nfs/dbraw/zinc/10/92/02/569109202.db2.gz IMOUEIXPWWWADA-UHFFFAOYSA-N 0 0 441.531 3.872 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccccc3Cl)nn2)C1 ZINC000065131965 569109685 /nfs/dbraw/zinc/10/96/85/569109685.db2.gz PVURFAMZJKFKQK-HNNXBMFYSA-N 0 0 447.992 3.603 50 0 IHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000036442629 569110666 /nfs/dbraw/zinc/11/06/66/569110666.db2.gz ZDPAQBBGHYQPDY-UHFFFAOYSA-N 0 0 432.524 3.663 50 0 IHAARN O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(F)cc1 ZINC000065150991 569111555 /nfs/dbraw/zinc/11/15/55/569111555.db2.gz LTTHTLFOQWZAJO-UHFFFAOYSA-N 0 0 443.891 3.615 50 0 IHAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)nc23)c1 ZINC000065150953 569111613 /nfs/dbraw/zinc/11/16/13/569111613.db2.gz BTRLTGTZNABHNT-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN Cc1cccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)c1 ZINC000065150937 569111625 /nfs/dbraw/zinc/11/16/25/569111625.db2.gz TVEVFNFIOXQDDZ-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nccc(N3CCc4ccccc4C3)n2)cc1 ZINC000065151451 569111770 /nfs/dbraw/zinc/11/17/70/569111770.db2.gz AOVKXJPSNKPZLJ-UHFFFAOYSA-N 0 0 448.548 3.947 50 0 IHAARN O=C(CN1C(=O)[C@](O)(c2ccccc2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000065155755 569111932 /nfs/dbraw/zinc/11/19/32/569111932.db2.gz BMQCBAIQWUUVIJ-QFIPXVFZSA-N 0 0 437.293 3.670 50 0 IHAARN O=C(NCc1ccc(F)cc1Cl)c1csc(-c2ccc(N3CCOCC3)nc2)n1 ZINC000065165541 569112932 /nfs/dbraw/zinc/11/29/32/569112932.db2.gz YICJERUITICRFD-UHFFFAOYSA-N 0 0 432.908 3.764 50 0 IHAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccccc3Cl)CC2)cc1)N1CCOCC1 ZINC000065180067 569113692 /nfs/dbraw/zinc/11/36/92/569113692.db2.gz RYPFSJGKZQXSHA-UHFFFAOYSA-N 0 0 442.943 3.744 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 ZINC000065185975 569114576 /nfs/dbraw/zinc/11/45/76/569114576.db2.gz SJNIYCNJQMZHBY-UHFFFAOYSA-N 0 0 447.495 3.801 50 0 IHAARN CCOc1ccccc1-n1ccn(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(=O)c1=O ZINC000065198616 569114956 /nfs/dbraw/zinc/11/49/56/569114956.db2.gz VWSISYCWBONHRT-UHFFFAOYSA-N 0 0 446.507 3.794 50 0 IHAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 ZINC000065199114 569115097 /nfs/dbraw/zinc/11/50/97/569115097.db2.gz NPOFANYCBJOIDY-UHFFFAOYSA-N 0 0 426.473 3.581 50 0 IHAARN CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195556 569115421 /nfs/dbraw/zinc/11/54/21/569115421.db2.gz JOXHUCLBDSCFSQ-QGZVFWFLSA-N 0 0 435.549 3.699 50 0 IHAARN COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n3c(C)n2)cc1 ZINC000065196643 569115801 /nfs/dbraw/zinc/11/58/01/569115801.db2.gz UHBRTZOPAUAOCU-UHFFFAOYSA-N 0 0 431.496 3.637 50 0 IHAARN COc1ccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c(OC)c1 ZINC000065210041 569116589 /nfs/dbraw/zinc/11/65/89/569116589.db2.gz BRZWEEJIWXPGAQ-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN CCN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000006998745 569116592 /nfs/dbraw/zinc/11/65/92/569116592.db2.gz LXGWGQFAFXZUMF-IOFSEFHDSA-N 0 0 431.598 3.569 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216173 569117029 /nfs/dbraw/zinc/11/70/29/569117029.db2.gz FKHKPZMGRROMSA-UHFFFAOYSA-N 0 0 448.571 3.699 50 0 IHAARN COc1ccc(-c2coc3cc(OCC(=O)N[C@@H](CO)c4ccccc4)ccc3c2=O)cc1 ZINC000036569279 569118620 /nfs/dbraw/zinc/11/86/20/569118620.db2.gz PBMMRATYJWUDEE-QHCPKHFHSA-N 0 0 445.471 3.697 50 0 IHAARN O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)Nc1ccccc1C(F)(F)F ZINC000065231905 569118666 /nfs/dbraw/zinc/11/86/66/569118666.db2.gz ODWOVHIVIXXJMN-UHFFFAOYSA-N 0 0 449.462 3.878 50 0 IHAARN COc1cccc(CNC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1 ZINC000065232335 569119014 /nfs/dbraw/zinc/11/90/14/569119014.db2.gz NOJLVORWEXTXQY-UHFFFAOYSA-N 0 0 440.544 3.707 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)Cn2cncc(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000065232488 569119099 /nfs/dbraw/zinc/11/90/99/569119099.db2.gz VYEJZXWUBVOSRH-MRXNPFEDSA-N 0 0 446.532 3.920 50 0 IHAARN Cc1ncc(-c2nc(-c3ccccc3)cs2)c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000065232517 569119101 /nfs/dbraw/zinc/11/91/01/569119101.db2.gz XFBIVPSPMMAXOZ-UHFFFAOYSA-N 0 0 446.488 3.710 50 0 IHAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3cc(F)ccc3F)nc2C)cc1 ZINC000065233039 569119114 /nfs/dbraw/zinc/11/91/14/569119114.db2.gz RXABGRWTMFHZQH-UHFFFAOYSA-N 0 0 431.464 3.850 50 0 IHAARN COc1ccc(CNC(=O)c2sc(CC(=O)Nc3ccc(F)cc3F)nc2C)cc1 ZINC000065233038 569119120 /nfs/dbraw/zinc/11/91/20/569119120.db2.gz KSVJIVDSOPLVFL-UHFFFAOYSA-N 0 0 431.464 3.850 50 0 IHAARN CCN1c2ccc(Cl)cc2C(=O)NC12CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000065235485 569119205 /nfs/dbraw/zinc/11/92/05/569119205.db2.gz WIMWISRNGKPBNG-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccccc1OC)CC2 ZINC000065235498 569119225 /nfs/dbraw/zinc/11/92/25/569119225.db2.gz KEZBQBJGYUMKMB-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000065235508 569119253 /nfs/dbraw/zinc/11/92/53/569119253.db2.gz JJBWVFRGFRUHLY-UHFFFAOYSA-N 0 0 442.903 3.663 50 0 biogenic IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000065235516 569119276 /nfs/dbraw/zinc/11/92/76/569119276.db2.gz YLHAUAUXGPCHFE-UHFFFAOYSA-N 0 0 430.911 3.751 50 0 biogenic IHAARN C=C1C(N2CCCN(C(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239481 569120502 /nfs/dbraw/zinc/12/05/02/569120502.db2.gz YPABLJZYCLSZGZ-UHFFFAOYSA-N 0 0 435.977 3.537 50 0 IHAARN C=C1C(N2CCCN(C(=O)C(C)(C)CC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239537 569120611 /nfs/dbraw/zinc/12/06/11/569120611.db2.gz RJWWIHJAEZRCEZ-UHFFFAOYSA-N 0 0 431.602 3.692 50 0 IHAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4nn(C)c5ccccc54)CC3)nc2)sc1C ZINC000065240804 569120826 /nfs/dbraw/zinc/12/08/26/569120826.db2.gz CXORYOMKORVMCO-UHFFFAOYSA-N 0 0 432.553 3.671 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 ZINC000036593947 569121286 /nfs/dbraw/zinc/12/12/86/569121286.db2.gz SXLUDOXHUCJRIV-BEFAXECRSA-N 0 0 442.610 3.807 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCCC1 ZINC000036594999 569121451 /nfs/dbraw/zinc/12/14/51/569121451.db2.gz KJKZIICVYLTVOA-LJQANCHMSA-N 0 0 430.936 3.718 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000036601967 569121810 /nfs/dbraw/zinc/12/18/10/569121810.db2.gz QXRIMOQDJPEFPI-IERDGZPVSA-N 0 0 447.564 3.943 50 0 IHAARN Cc1c(C(=O)NCc2ccccc2F)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251329 569122288 /nfs/dbraw/zinc/12/22/88/569122288.db2.gz CYOMUBXLEAOZAI-UHFFFAOYSA-N 0 0 434.475 3.992 50 0 IHAARN CCCc1noc(-c2ccnc(-n3ncc(C(=O)N4CCc5ccccc5C4)c3C)c2)n1 ZINC000065251292 569122312 /nfs/dbraw/zinc/12/23/12/569122312.db2.gz NRPSDOSMSADLHV-UHFFFAOYSA-N 0 0 428.496 3.777 50 0 IHAARN COc1ccc(-c2cc(C(=O)NCCn3nc(C)c(Cl)c3C)c3cnn(C)c3n2)cc1 ZINC000036613432 569123845 /nfs/dbraw/zinc/12/38/45/569123845.db2.gz UCFFCRKNDAFOML-UHFFFAOYSA-N 0 0 438.919 3.541 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1OC ZINC000013129948 569125334 /nfs/dbraw/zinc/12/53/34/569125334.db2.gz AKPJTXUHBFORHU-UHFFFAOYSA-N 0 0 444.484 3.574 50 0 IHAARN CCOc1ccc2nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)sc2c1 ZINC000013129855 569125432 /nfs/dbraw/zinc/12/54/32/569125432.db2.gz GAVDOGOCFODQEV-UHFFFAOYSA-N 0 0 445.522 3.907 50 0 IHAARN COc1cc([C@@H](CC(=O)NCCC2=CCCCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729715 569125801 /nfs/dbraw/zinc/12/58/01/569125801.db2.gz GGQSWJGCEZKDKF-GOSISDBHSA-N 0 0 427.497 3.897 50 0 biogenic IHAARN CC(C)n1cc2c(n1)n(CCC(=O)Nc1ccc(Cl)cn1)c(=O)cc2C(F)(F)F ZINC000036621494 569126205 /nfs/dbraw/zinc/12/62/05/569126205.db2.gz KBFJUMUJVOVGDF-UHFFFAOYSA-N 0 0 427.814 3.875 50 0 IHAARN Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@H]5C[C@@H](C4)[C@H]4CCCC(=O)N4C5)c(C)c3cc12 ZINC000524730930 569126210 /nfs/dbraw/zinc/12/62/10/569126210.db2.gz CRWBKSFEXIYZNQ-LLGFUMIMSA-N 0 0 448.519 3.558 50 0 biogenic IHAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524731136 569126313 /nfs/dbraw/zinc/12/63/13/569126313.db2.gz LHGHICDKENAIJY-QFIPXVFZSA-N 0 0 449.503 3.607 50 0 biogenic IHAARN Cn1cc(NC(=O)CCCCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cn1 ZINC000524732698 569126933 /nfs/dbraw/zinc/12/69/33/569126933.db2.gz KRLZAJIFFNQXHE-HSZRJFAPSA-N 0 0 443.507 3.734 50 0 IHAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCCCc1nc2ccccc2[nH]1 ZINC000524733267 569127085 /nfs/dbraw/zinc/12/70/85/569127085.db2.gz KBMWBTXUAFZRIF-WVBBGBOVSA-N 0 0 432.524 3.502 50 0 IHAARN COc1cccc(-c2cc3n(n2)CCCN(C(=O)c2ccc(N4CCCC4=O)cc2)C3)c1 ZINC000065270204 569128052 /nfs/dbraw/zinc/12/80/52/569128052.db2.gz YUSZKLRRGOIONB-UHFFFAOYSA-N 0 0 430.508 3.732 50 0 IHAARN CCN(C(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1)c1ccccc1 ZINC000065273798 569128299 /nfs/dbraw/zinc/12/82/99/569128299.db2.gz HOFDFXHIIUNJJW-GOSISDBHSA-N 0 0 440.613 3.606 50 0 IHAARN COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)cc1OC ZINC000065274317 569128463 /nfs/dbraw/zinc/12/84/63/569128463.db2.gz TVZIUXQPZHRKNW-UHFFFAOYSA-N 0 0 425.533 3.703 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C4CCCC4)C3=O)nc2)cc1N1CCCC1=O ZINC000065272498 569129075 /nfs/dbraw/zinc/12/90/75/569129075.db2.gz OXVLBJMDGNVORY-UHFFFAOYSA-N 0 0 447.539 3.954 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1 ZINC000065273679 569130036 /nfs/dbraw/zinc/13/00/36/569130036.db2.gz CCTJZOXIENJGRR-SFHVURJKSA-N 0 0 440.613 3.754 50 0 IHAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3snnc3C)nc21 ZINC000036676507 569132389 /nfs/dbraw/zinc/13/23/89/569132389.db2.gz UIVRHAMZDSHPQC-UHFFFAOYSA-N 0 0 427.511 3.715 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000036705602 569134425 /nfs/dbraw/zinc/13/44/25/569134425.db2.gz PUABYFDLAVSHAC-ZDUSSCGKSA-N 0 0 433.493 3.567 50 0 IHAARN O=C([C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 ZINC000036701226 569135589 /nfs/dbraw/zinc/13/55/89/569135589.db2.gz CPSXDLZHVXUVJT-ICSVULDUSA-N 0 0 435.612 3.538 50 0 IHAARN O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(F)ccc1F ZINC000065315227 569135828 /nfs/dbraw/zinc/13/58/28/569135828.db2.gz TTWQHYULBGBJQH-UHFFFAOYSA-N 0 0 441.475 3.716 50 0 IHAARN Cc1ccc2nc(CSCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n2c1 ZINC000007145425 569137429 /nfs/dbraw/zinc/13/74/29/569137429.db2.gz WNBOYWNYUIHEFB-NXTQRVMMSA-N 0 0 425.598 3.957 50 0 IHAARN Cc1ccn2cc(CNC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)nc2c1 ZINC000065563750 569139218 /nfs/dbraw/zinc/13/92/18/569139218.db2.gz UJJZDZGANQKXJZ-MRXNPFEDSA-N 0 0 434.443 3.781 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)c1C(F)(F)F ZINC000065562816 569139275 /nfs/dbraw/zinc/13/92/75/569139275.db2.gz HKXCNKUXGZGICO-UHFFFAOYSA-N 0 0 443.385 3.618 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3cccs3)cc2)co1 ZINC000240002246 569140423 /nfs/dbraw/zinc/14/04/23/569140423.db2.gz PPZYIZLGBWNZDS-FQEVSTJZSA-N 0 0 446.575 3.987 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)CC2)c1C ZINC000240067824 569140598 /nfs/dbraw/zinc/14/05/98/569140598.db2.gz SDCHLRRHZGAYBN-UHFFFAOYSA-N 0 0 429.948 3.872 50 0 IHAARN CC(C)(C)OC(=O)NCc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)co1 ZINC000170602184 569143470 /nfs/dbraw/zinc/14/34/70/569143470.db2.gz BTYIJPQQFRPUBJ-CQSZACIVSA-N 0 0 435.471 3.839 50 0 IHAARN CN(C)c1ncn(-c2cccc(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)c2)n1 ZINC000170617348 569147205 /nfs/dbraw/zinc/14/72/05/569147205.db2.gz QUCNVZDBYIHXRC-UHFFFAOYSA-N 0 0 426.329 3.582 50 0 IHAARN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000170619755 569147482 /nfs/dbraw/zinc/14/74/82/569147482.db2.gz RMPNRRAANYHLRD-INIZCTEOSA-N 0 0 425.963 3.721 50 0 IHAARN CN1C(=O)COc2ccc(C(=O)COc3ccc4occ(C(=O)c5ccco5)c4c3)cc21 ZINC000170622153 569147844 /nfs/dbraw/zinc/14/78/44/569147844.db2.gz KBSMQAKROBCWGS-UHFFFAOYSA-N 0 0 431.400 3.874 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009882353 569149719 /nfs/dbraw/zinc/14/97/19/569149719.db2.gz NZZLEIPXAJKBPW-UHFFFAOYSA-N 0 0 448.541 3.529 50 0 IHAARN COc1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC ZINC000009883873 569150204 /nfs/dbraw/zinc/15/02/04/569150204.db2.gz HROJDVUAIJSXLQ-UHFFFAOYSA-N 0 0 442.493 3.940 50 0 IHAARN COc1ccc(-n2cc(C(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1 ZINC000071287144 569150885 /nfs/dbraw/zinc/15/08/85/569150885.db2.gz MVRHOUSGTDZFSL-UHFFFAOYSA-N 0 0 444.487 3.947 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000010027493 569151817 /nfs/dbraw/zinc/15/18/17/569151817.db2.gz KILCPTPPPCIGHR-UHFFFAOYSA-N 0 0 445.566 3.548 50 0 IHAARN FC(F)(F)c1ccc(N2CCCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)nc1 ZINC000071817082 569154682 /nfs/dbraw/zinc/15/46/82/569154682.db2.gz NKSDRIUQVZICIY-UHFFFAOYSA-N 0 0 439.445 3.922 50 0 IHAARN COc1ccc(NC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 ZINC000013801737 569157109 /nfs/dbraw/zinc/15/71/09/569157109.db2.gz ADCRPDLOOZNXTB-UHFFFAOYSA-N 0 0 442.903 3.793 50 0 IHAARN C[C@@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000014171093 569157910 /nfs/dbraw/zinc/15/79/10/569157910.db2.gz VQSRDBGXYVSVMU-QAPCUYQASA-N 0 0 448.504 3.876 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(-c3ccco3)n2C)nc1 ZINC000014287299 569158479 /nfs/dbraw/zinc/15/84/79/569158479.db2.gz JWPTVDFWIQLNIG-UHFFFAOYSA-N 0 0 441.538 3.837 50 0 IHAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000014372534 569158781 /nfs/dbraw/zinc/15/87/81/569158781.db2.gz UIVXBFHPFYWCNO-UHFFFAOYSA-N 0 0 428.901 3.884 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4c3ccc(C)c4C)CC2)cc1 ZINC000014392870 569159024 /nfs/dbraw/zinc/15/90/24/569159024.db2.gz LMHUSJGMLCQTOW-UHFFFAOYSA-N 0 0 440.565 3.870 50 0 IHAARN O=C(Oc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000014466999 569159103 /nfs/dbraw/zinc/15/91/03/569159103.db2.gz DFASPFGBCGIKFX-UHFFFAOYSA-N 0 0 428.279 3.592 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000014594882 569159346 /nfs/dbraw/zinc/15/93/46/569159346.db2.gz MMCPHPYYYJGZIZ-UHFFFAOYSA-N 0 0 442.512 3.547 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c(Br)cc2C[C@H]1C ZINC000251682494 569159387 /nfs/dbraw/zinc/15/93/87/569159387.db2.gz HWUFOLFINIDJMI-OLZOCXBDSA-N 0 0 449.370 3.887 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000014596126 569159444 /nfs/dbraw/zinc/15/94/44/569159444.db2.gz FUTNSXBRXAAQJV-UHFFFAOYSA-N 0 0 435.402 3.538 50 0 IHAARN Cc1cc(C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)ccc1-n1cnnn1 ZINC000089591448 569159667 /nfs/dbraw/zinc/15/96/67/569159667.db2.gz PFLZZKIAELKGIK-UHFFFAOYSA-N 0 0 435.532 3.991 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccncc3Cl)CC2)c(Br)c1 ZINC000089610904 569159921 /nfs/dbraw/zinc/15/99/21/569159921.db2.gz NNPGNMHDRSVAHO-CQSZACIVSA-N 0 0 437.769 3.955 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000016716557 569160133 /nfs/dbraw/zinc/16/01/33/569160133.db2.gz IPECZFKICOZUEI-LRDDRELGSA-N 0 0 440.468 3.919 50 0 IHAARN COC(=O)c1cncc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000089641154 569160223 /nfs/dbraw/zinc/16/02/23/569160223.db2.gz MPOZWVOCDDKQBV-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1NC(=O)c1ccco1 ZINC000089646824 569160524 /nfs/dbraw/zinc/16/05/24/569160524.db2.gz REIYCHGPOSFYPS-UHFFFAOYSA-N 0 0 425.529 3.605 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000089651215 569160536 /nfs/dbraw/zinc/16/05/36/569160536.db2.gz IKXPSYMOHRZVPV-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN Cc1ccc(NS(=O)(=O)CC2CCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000089651345 569160639 /nfs/dbraw/zinc/16/06/39/569160639.db2.gz KOJMZUJASGMOTG-UHFFFAOYSA-N 0 0 428.963 3.991 50 0 IHAARN COc1ccc(NC(=O)COc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000089688761 569161219 /nfs/dbraw/zinc/16/12/19/569161219.db2.gz KEIVFAMQYJOUAP-UHFFFAOYSA-N 0 0 432.542 3.504 50 0 IHAARN CC(=O)Nc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016838130 569162771 /nfs/dbraw/zinc/16/27/71/569162771.db2.gz JCPWYGVPIXEWBA-HXUWFJFHSA-N 0 0 429.542 3.525 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c(C)c1 ZINC000016842186 569163501 /nfs/dbraw/zinc/16/35/01/569163501.db2.gz MZYDJHUFASXQEP-UHFFFAOYSA-N 0 0 448.595 3.609 50 0 IHAARN COc1cc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc(OC)c1 ZINC000016843471 569163592 /nfs/dbraw/zinc/16/35/92/569163592.db2.gz CABGDAKSEMQUIV-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN CCNc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1-c1nc(-c2ccc(OC)cc2)no1 ZINC000016844657 569163749 /nfs/dbraw/zinc/16/37/49/569163749.db2.gz CEBLLPVPLUHVHE-UHFFFAOYSA-N 0 0 447.499 3.570 50 0 IHAARN COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(C)cc1)nn2[C@H]1CCS(=O)(=O)C1 ZINC000016850678 569164865 /nfs/dbraw/zinc/16/48/65/569164865.db2.gz CJRIZLWUPMXKHX-INIZCTEOSA-N 0 0 427.526 3.676 50 0 IHAARN C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000089894526 569166670 /nfs/dbraw/zinc/16/66/70/569166670.db2.gz SIWNXXBISAXXON-INIZCTEOSA-N 0 0 440.487 3.732 50 0 IHAARN COc1cc(/C=C\C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc(OC)c1OC ZINC000016943291 569166833 /nfs/dbraw/zinc/16/68/33/569166833.db2.gz ZVHVIRQYDDQAOO-DAXSKMNVSA-N 0 0 430.407 3.975 50 0 IHAARN COc1cc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1Br ZINC000089904886 569167217 /nfs/dbraw/zinc/16/72/17/569167217.db2.gz VBPGHEUJHAOUGL-JPQMIFPKSA-N 0 0 426.332 3.695 50 0 IHAARN COc1ccc(CNC(=O)c2sc(=S)n(-c3cc(OC)ccc3OC)c2N)cc1 ZINC000016953771 569167332 /nfs/dbraw/zinc/16/73/32/569167332.db2.gz OEEFBQHZSZHZFZ-UHFFFAOYSA-N 0 0 431.539 3.806 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC ZINC000089920264 569167711 /nfs/dbraw/zinc/16/77/11/569167711.db2.gz HADDFNRCJZPOFR-HZPDHXFCSA-N 0 0 432.542 3.623 50 0 IHAARN C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O ZINC000089919833 569167793 /nfs/dbraw/zinc/16/77/93/569167793.db2.gz LJFLXRATZZDBHI-OAHLLOKOSA-N 0 0 445.504 3.748 50 0 IHAARN CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000089936829 569168218 /nfs/dbraw/zinc/16/82/18/569168218.db2.gz QPXIEUFJBJLBID-KBPBESRZSA-N 0 0 436.557 3.638 50 0 IHAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@@H](C)S(=O)(=O)C(C)C ZINC000089960795 569169077 /nfs/dbraw/zinc/16/90/77/569169077.db2.gz JKSPPFLYESLBCL-WBMJQRKESA-N 0 0 438.373 3.658 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc21 ZINC000016991303 569169554 /nfs/dbraw/zinc/16/95/54/569169554.db2.gz LUDLLZPAKDIHCE-QFIPXVFZSA-N 0 0 434.927 3.902 50 0 IHAARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc21 ZINC000017026714 569171103 /nfs/dbraw/zinc/17/11/03/569171103.db2.gz KCBVKDAACXUNHH-QGZVFWFLSA-N 0 0 429.929 3.747 50 0 IHAARN COc1ccc(-c2nc(N3CCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1OC ZINC000037357627 569174016 /nfs/dbraw/zinc/17/40/16/569174016.db2.gz PDCYNJOEZXPHJZ-UHFFFAOYSA-N 0 0 434.475 3.821 50 0 IHAARN Cc1cccc(C)c1NC(=O)C(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 ZINC000017135768 569174490 /nfs/dbraw/zinc/17/44/90/569174490.db2.gz ULGLOEVBZBAOOX-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1cccc(Cl)c1 ZINC000017178017 569175546 /nfs/dbraw/zinc/17/55/46/569175546.db2.gz PZZWXAAYZPTJLY-UHFFFAOYSA-N 0 0 443.891 3.548 50 0 IHAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cc2ccccc2oc1=O ZINC000017201111 569175976 /nfs/dbraw/zinc/17/59/76/569175976.db2.gz JNESDDXOBXOWAB-UHFFFAOYSA-N 0 0 434.452 3.676 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccs1)C2 ZINC000096095776 569178124 /nfs/dbraw/zinc/17/81/24/569178124.db2.gz JCVHMJGDJRXHOU-UHOFOFEASA-N 0 0 425.963 3.683 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C ZINC000000649426 569180345 /nfs/dbraw/zinc/18/03/45/569180345.db2.gz RPIXCPJOTZTHCN-UHFFFAOYSA-N 0 0 445.932 3.598 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)cc1 ZINC000001088867 569180436 /nfs/dbraw/zinc/18/04/36/569180436.db2.gz QMYUYKXDQQCOHA-UHFFFAOYSA-N 0 0 444.516 3.524 50 0 IHAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N23)cc1 ZINC000002105267 569181040 /nfs/dbraw/zinc/18/10/40/569181040.db2.gz XFTQWUTXPFMYDX-WIOPSUGQSA-N 0 0 425.488 3.954 50 0 biogenic IHAARN CCCCOc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 ZINC000026503109 569181085 /nfs/dbraw/zinc/18/10/85/569181085.db2.gz BLVGWRPNTJBBHA-KGENOOAVSA-N 0 0 431.517 3.972 50 0 IHAARN COc1ccc(C2=NO[C@@H](C(=O)c3ccccc3)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000002114945 569182309 /nfs/dbraw/zinc/18/23/09/569182309.db2.gz PCGRSFBRAKJUFB-ZCYQVOJMSA-N 0 0 428.444 3.580 50 0 biogenic IHAARN COCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Cl)c2)C1=O ZINC000002119925 569182781 /nfs/dbraw/zinc/18/27/81/569182781.db2.gz HYNAKTWHUFITMM-REWPJTCUSA-N 0 0 437.927 3.543 50 0 biogenic IHAARN COCCCN1CC(=O)N2[C@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002119924 569182846 /nfs/dbraw/zinc/18/28/46/569182846.db2.gz HYNAKTWHUFITMM-NZQKXSOJSA-N 0 0 437.927 3.543 50 0 biogenic IHAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C ZINC000014866195 569182936 /nfs/dbraw/zinc/18/29/36/569182936.db2.gz PTZFAYBEDPHZJB-CQSZACIVSA-N 0 0 435.933 3.773 50 0 IHAARN CCCOC(=O)COc1ccc2cc(-c3cc(=O)oc4cc(OC)ccc43)c(=O)oc2c1 ZINC000002135556 569185311 /nfs/dbraw/zinc/18/53/11/569185311.db2.gz JUZKDZNQATZRIE-UHFFFAOYSA-N 0 0 436.416 3.907 50 0 biogenic IHAARN COc1cccc(-c2nc(NC[C@@H]3CCCO3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037375957 569185475 /nfs/dbraw/zinc/18/54/75/569185475.db2.gz WPVLTXLEWKJZDC-SFHVURJKSA-N 0 0 434.475 3.803 50 0 IHAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl ZINC000252490133 569186898 /nfs/dbraw/zinc/18/68/98/569186898.db2.gz KJXYPUUPEIUUDK-GOSISDBHSA-N 0 0 447.967 3.912 50 0 IHAARN COc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1OCc1ccccc1 ZINC000252507458 569188369 /nfs/dbraw/zinc/18/83/69/569188369.db2.gz WMFWCRYMTAXSPV-SFLYRZDNSA-N 0 0 425.525 3.660 50 0 IHAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000252512197 569188821 /nfs/dbraw/zinc/18/88/21/569188821.db2.gz NZHOKSXVOVXFFI-UHOSZYNNSA-N 0 0 434.462 3.872 50 0 IHAARN CSCC[C@@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)c1nnc2ccccn21 ZINC000252535682 569189933 /nfs/dbraw/zinc/18/99/33/569189933.db2.gz GOWWYTVHNHYJKL-LJQANCHMSA-N 0 0 435.553 3.849 50 0 IHAARN CC(C)CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002183934 569190425 /nfs/dbraw/zinc/19/04/25/569190425.db2.gz DJWQEEWYRVEZIB-UHFFFAOYSA-N 0 0 429.369 3.957 50 0 IHAARN COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1nc(C2CC2)cs1)C(F)(F)F ZINC000002191916 569190665 /nfs/dbraw/zinc/19/06/65/569190665.db2.gz QXVUNTWLMSNBLL-INIZCTEOSA-N 0 0 433.839 3.947 50 0 IHAARN Cc1ccc2nc(CSCC(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C3CC3)cn2c1 ZINC000252549514 569190919 /nfs/dbraw/zinc/19/09/19/569190919.db2.gz RKFAFOAJHREPQP-GOSISDBHSA-N 0 0 432.590 3.638 50 0 IHAARN CCOC(=O)c1sc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(C(=O)OCC)c1C ZINC000002202635 569192704 /nfs/dbraw/zinc/19/27/04/569192704.db2.gz WOKSPCINWPSKBH-QGZVFWFLSA-N 0 0 449.481 3.708 50 0 IHAARN CCCN(C)C(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(C)c(Cl)c2)c1=O ZINC000037399443 569194505 /nfs/dbraw/zinc/19/45/05/569194505.db2.gz USIBBOSVWDXFBO-UHFFFAOYSA-N 0 0 434.323 3.636 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccccc3nc2C(=O)N1Cc1cccnc1 ZINC000037443840 569197123 /nfs/dbraw/zinc/19/71/23/569197123.db2.gz JPLYDSHEFHNGRG-IZJXBPLLSA-N 0 0 431.540 3.541 50 0 IHAARN COCCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1cccc(F)c1 ZINC000037546813 569200208 /nfs/dbraw/zinc/20/02/08/569200208.db2.gz ARTBKOGSTXXGQQ-UHFFFAOYSA-N 0 0 427.476 3.816 50 0 IHAARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)C(C)C)CC4)n23)cc1 ZINC000037554415 569200385 /nfs/dbraw/zinc/20/03/85/569200385.db2.gz OIMGZTBXNLUUTA-UHFFFAOYSA-N 0 0 428.540 3.948 50 0 IHAARN CCC(=O)N1CCc2ccc(OCC(=O)NCc3ccco3)cc2[C@H]1c1ccc(F)cc1 ZINC000037602238 569202395 /nfs/dbraw/zinc/20/23/95/569202395.db2.gz VJJDDDWNJJEFSB-RUZDIDTESA-N 0 0 436.483 3.998 50 0 IHAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N1CCOCC1 ZINC000037603060 569202482 /nfs/dbraw/zinc/20/24/82/569202482.db2.gz ODFVENRMSWZRPU-JWQCQUIFSA-N 0 0 448.563 3.587 50 0 IHAARN Cc1ccccc1Oc1cc(N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)ncn1 ZINC000037623566 569203311 /nfs/dbraw/zinc/20/33/11/569203311.db2.gz UCPUUQPFJNRZJJ-HXUWFJFHSA-N 0 0 432.524 3.831 50 0 IHAARN Cc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)c1 ZINC000007888795 569205889 /nfs/dbraw/zinc/20/58/89/569205889.db2.gz XTCBQBZTTRUQFO-UHFFFAOYSA-N 0 0 428.529 3.556 50 0 IHAARN COc1cc(C=c2sc3nc4c(cc(C)cc4C)n3c2=O)cc(Br)c1O ZINC000252669203 569209835 /nfs/dbraw/zinc/20/98/35/569209835.db2.gz GVKFYUUKRPNKQT-UHFFFAOYSA-N 0 0 431.311 3.550 50 0 IHAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002231774 569210796 /nfs/dbraw/zinc/21/07/96/569210796.db2.gz UPLKQIXODFYQPU-ZWKOTPCHSA-N 0 0 437.887 3.740 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl ZINC000002257803 569215357 /nfs/dbraw/zinc/21/53/57/569215357.db2.gz PTMJCYVJVQEGHS-BMIGLBTASA-N 0 0 429.325 3.832 50 0 IHAARN CCc1cc2c(cc1OCC(=O)N1CC[C@]3(O)CCCC[C@H]3C1)oc(=O)c1c2CCCC1 ZINC000015955278 569256876 /nfs/dbraw/zinc/25/68/76/569256876.db2.gz DMIBOEQGDVBRAP-HFJWLAOPSA-N 0 0 439.552 3.767 50 0 biogenic IHAARN CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000036379707 569257768 /nfs/dbraw/zinc/25/77/68/569257768.db2.gz FZCHYNWYXKICIO-MIEBORLRSA-N 0 0 446.584 3.523 50 0 IHAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000253406797 569265262 /nfs/dbraw/zinc/26/52/62/569265262.db2.gz UYGWXPKTJLAJSY-SFHVURJKSA-N 0 0 440.468 3.819 50 0 IHAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253410717 569265728 /nfs/dbraw/zinc/26/57/28/569265728.db2.gz NQGMVSODIZJIBH-NRFANRHFSA-N 0 0 429.472 3.974 50 0 biogenic IHAARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253410719 569265738 /nfs/dbraw/zinc/26/57/38/569265738.db2.gz NQGMVSODIZJIBH-OAQYLSRUSA-N 0 0 429.472 3.974 50 0 biogenic IHAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253411852 569265870 /nfs/dbraw/zinc/26/58/70/569265870.db2.gz PEUYEDCSRIBREJ-NRFANRHFSA-N 0 0 446.503 3.987 50 0 biogenic IHAARN CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)c3cnc(C4OCCO4)s3)cc2C1=O ZINC000253419812 569266814 /nfs/dbraw/zinc/26/68/14/569266814.db2.gz SHWGHNJWBDWRFW-GFCCVEGCSA-N 0 0 430.482 3.503 50 0 IHAARN Cc1cc(N2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)nc(C(C)C)n1 ZINC000027545595 569271336 /nfs/dbraw/zinc/27/13/36/569271336.db2.gz JCBLAXBSFHCNQX-HXUWFJFHSA-N 0 0 435.616 3.787 50 0 IHAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCC2)cc1OC ZINC000002318337 569273313 /nfs/dbraw/zinc/27/33/13/569273313.db2.gz HKGVMYKJDJMOGA-ZHZULCJRSA-N 0 0 433.508 3.589 50 0 IHAARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 ZINC000002349416 569282165 /nfs/dbraw/zinc/28/21/65/569282165.db2.gz XWFHKRLVJYFUTE-HNNXBMFYSA-N 0 0 426.222 3.900 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 ZINC000253471871 569282662 /nfs/dbraw/zinc/28/26/62/569282662.db2.gz GHLUWKGFRXRJMI-UHFFFAOYSA-N 0 0 447.524 3.677 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002377508 569289575 /nfs/dbraw/zinc/28/95/75/569289575.db2.gz HMZLCJODXXJYBF-UWJYYQICSA-N 0 0 433.460 3.612 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)CC1 ZINC000009445375 569296494 /nfs/dbraw/zinc/29/64/94/569296494.db2.gz SOGAAWREKIKJKW-UHFFFAOYSA-N 0 0 442.566 3.878 50 0 IHAARN COc1ccc(NC(=O)Cn2c(=O)sc3c2SC[C@@H]2COc4ccccc4[C@H]32)cc1 ZINC000002405002 569300024 /nfs/dbraw/zinc/30/00/24/569300024.db2.gz IFOYPCNDWLAKSH-ORAYPTAESA-N 0 0 440.546 3.803 50 0 IHAARN COc1cc([C@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc(OC)c1OC ZINC000002421952 569302129 /nfs/dbraw/zinc/30/21/29/569302129.db2.gz MLBGYKIEPPSZLH-GOSISDBHSA-N 0 0 445.519 3.978 50 0 biogenic IHAARN CCCc1nc2sc3c(nc(SC)nc3N(C[C@@H](C)O)C[C@@H](C)O)c2c2c1CCC2 ZINC000002427477 569302670 /nfs/dbraw/zinc/30/26/70/569302670.db2.gz OHPDWQQYQUBNCS-CHWSQXEVSA-N 0 0 446.642 3.971 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000068734691 569303913 /nfs/dbraw/zinc/30/39/13/569303913.db2.gz DIYAJXJENJOZJJ-UHFFFAOYSA-N 0 0 426.650 3.928 50 0 IHAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)sc2C)cc1 ZINC000012993116 569306055 /nfs/dbraw/zinc/30/60/55/569306055.db2.gz WUZFFWVCLKTOFB-MCMMXHMISA-N 0 0 442.541 3.566 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 ZINC000013010015 569306708 /nfs/dbraw/zinc/30/67/08/569306708.db2.gz LFTKLRGQVYAHAH-UHFFFAOYSA-N 0 0 436.497 3.524 50 0 IHAARN COCCOC(=O)c1sc2[nH]c(CN[C@@H](C)c3cccc(Cl)c3)nc(=O)c2c1C ZINC000013040171 569307932 /nfs/dbraw/zinc/30/79/32/569307932.db2.gz NRESIBKDHAGTHT-LBPRGKRZSA-N 0 0 435.933 3.600 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc(C(=O)OCC)c1 ZINC000013039921 569308003 /nfs/dbraw/zinc/30/80/03/569308003.db2.gz WCLFOUGZLAYJDC-AWEZNQCLSA-N 0 0 432.904 3.983 50 0 IHAARN CCOC(=O)c1cc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc(C(=O)OCC)c1 ZINC000013039922 569308047 /nfs/dbraw/zinc/30/80/47/569308047.db2.gz WCLFOUGZLAYJDC-CQSZACIVSA-N 0 0 432.904 3.983 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 ZINC000013117242 569311032 /nfs/dbraw/zinc/31/10/32/569311032.db2.gz GVKVFCOSFMDGHN-UHFFFAOYSA-N 0 0 441.491 3.654 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013149429 569312279 /nfs/dbraw/zinc/31/22/79/569312279.db2.gz WXNSUZBDGGRERA-KRWDZBQOSA-N 0 0 435.524 3.966 50 0 IHAARN CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O ZINC000013165186 569312486 /nfs/dbraw/zinc/31/24/86/569312486.db2.gz LAFMZWMMAVORGX-NVQXNPDNSA-N 0 0 433.552 3.890 50 0 IHAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164639 569312506 /nfs/dbraw/zinc/31/25/06/569312506.db2.gz UWQICYWVOSCHTG-GOSISDBHSA-N 0 0 436.537 3.535 50 0 IHAARN COc1cc(CNS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc(OC)c1OC ZINC000013358188 569313746 /nfs/dbraw/zinc/31/37/46/569313746.db2.gz BUEUIYDFCUTNDV-UHFFFAOYSA-N 0 0 448.566 3.931 50 0 IHAARN O=C(Cc1cccs1)N1CSC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000013359945 569313888 /nfs/dbraw/zinc/31/38/88/569313888.db2.gz JEFOYPQATOGIAF-GOSISDBHSA-N 0 0 443.619 3.675 50 0 IHAARN CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)cc1 ZINC000013367897 569314456 /nfs/dbraw/zinc/31/44/56/569314456.db2.gz ZNZNNGCCFHTOHJ-UHFFFAOYSA-N 0 0 436.493 3.689 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000328592891 569317336 /nfs/dbraw/zinc/31/73/36/569317336.db2.gz FEDHSCWQCBKDEV-DVOMOZLQSA-N 0 0 432.546 3.789 50 0 IHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCCCc2nc(C)no2)cc1OC ZINC000078879590 569320019 /nfs/dbraw/zinc/32/00/19/569320019.db2.gz JKKSCFASNIOHGP-UHFFFAOYSA-N 0 0 438.509 3.819 50 0 IHAARN O=C(NC[C@@]1(O)CCSC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000078987162 569321334 /nfs/dbraw/zinc/32/13/34/569321334.db2.gz PMQLQGSGGYNFDQ-VWLOTQADSA-N 0 0 444.560 3.744 50 0 IHAARN COC(=O)[C@H](C)[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000078996197 569321756 /nfs/dbraw/zinc/32/17/56/569321756.db2.gz DGQJDKXCEFALPA-PXAZEXFGSA-N 0 0 434.286 3.501 50 0 IHAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC000079013608 569321885 /nfs/dbraw/zinc/32/18/85/569321885.db2.gz BCZRLIBSEWEZHH-UHFFFAOYSA-N 0 0 438.387 3.719 50 0 IHAARN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 ZINC000079045229 569323099 /nfs/dbraw/zinc/32/30/99/569323099.db2.gz QTMPOHUDHAIJKK-QFIPXVFZSA-N 0 0 429.520 3.949 50 0 IHAARN O=C(c1ccc(NCCCc2nc(-c3cccs3)no2)cc1Cl)N1CCOCC1 ZINC000079074912 569324686 /nfs/dbraw/zinc/32/46/86/569324686.db2.gz RYCPIOFSXNDUEF-UHFFFAOYSA-N 0 0 432.933 3.969 50 0 IHAARN Cc1cc(NC(=O)CSCC(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)no1 ZINC000079094131 569325282 /nfs/dbraw/zinc/32/52/82/569325282.db2.gz ZQFOGIPMWYWTKS-QGZVFWFLSA-N 0 0 433.574 3.881 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1OC ZINC000019796558 569329548 /nfs/dbraw/zinc/32/95/48/569329548.db2.gz KSKVTSUQWROTMU-LLVKDONJSA-N 0 0 425.466 3.799 50 0 IHAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1OC ZINC000019796687 569329555 /nfs/dbraw/zinc/32/95/55/569329555.db2.gz PCCPFUJSRUHDHK-LBPRGKRZSA-N 0 0 439.493 3.823 50 0 IHAARN Cc1cc(=O)c(O)c(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1C ZINC000079479471 569330902 /nfs/dbraw/zinc/33/09/02/569330902.db2.gz HCHJLTDUJRGAGV-XMMPIXPASA-N 0 0 437.971 3.960 50 0 IHAARN CCc1ccc(C2=NN(C(=O)Cc3ccc(OC)c(OC)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000020035439 569332561 /nfs/dbraw/zinc/33/25/61/569332561.db2.gz KDWKDHXFHGZXBU-OAQYLSRUSA-N 0 0 436.430 3.696 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1 ZINC000020116376 569335127 /nfs/dbraw/zinc/33/51/27/569335127.db2.gz LFSXZZZOKXLUGF-LJQANCHMSA-N 0 0 430.551 3.675 50 0 IHAARN O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 ZINC000390829548 569354145 /nfs/dbraw/zinc/35/41/45/569354145.db2.gz ZSBXUJTWZYCCOG-UHFFFAOYSA-N 0 0 439.888 3.621 50 0 IHAARN CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214724 569356546 /nfs/dbraw/zinc/35/65/46/569356546.db2.gz GJFSIQMHPHYAFZ-QFIPXVFZSA-N 0 0 441.503 3.920 50 0 IHAARN COc1cc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc(OC)c1OC ZINC000020234272 569357261 /nfs/dbraw/zinc/35/72/61/569357261.db2.gz MDXSLAYKBHIAOG-UHFFFAOYSA-N 0 0 448.928 3.949 50 0 IHAARN CCN1c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000020242955 569358337 /nfs/dbraw/zinc/35/83/37/569358337.db2.gz NWXCXAJEDDFJRT-HOTGVXAUSA-N 0 0 426.538 3.618 50 0 IHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccs2)N1CCCN1CCOCC1 ZINC000020308804 569359568 /nfs/dbraw/zinc/35/95/68/569359568.db2.gz RAJQNFSSJKTIBW-IBGZPJMESA-N 0 0 444.940 3.775 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2nc(C)sc2c1)C(C)C ZINC000020326415 569360550 /nfs/dbraw/zinc/36/05/50/569360550.db2.gz IQMNPPIDTHEZPH-FQEVSTJZSA-N 0 0 447.582 3.863 50 0 IHAARN OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccsc1 ZINC000020362989 569361929 /nfs/dbraw/zinc/36/19/29/569361929.db2.gz KVONAJJTDVDSNM-NRFANRHFSA-N 0 0 428.989 3.927 50 0 IHAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(Br)cc1O ZINC000095381830 569363256 /nfs/dbraw/zinc/36/32/56/569363256.db2.gz VGWDFXACJVBKKS-BUXKBTBVSA-N 0 0 433.302 3.909 50 0 IHAARN CCOc1ccccc1CNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C ZINC000020388651 569363269 /nfs/dbraw/zinc/36/32/69/569363269.db2.gz NGLMBTGGHYDEQS-UHFFFAOYSA-N 0 0 442.537 3.588 50 0 IHAARN CS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)c1 ZINC000095393758 569363566 /nfs/dbraw/zinc/36/35/66/569363566.db2.gz ZAVIJTANMDZXTO-UHFFFAOYSA-N 0 0 438.278 3.634 50 0 IHAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O ZINC000095405522 569364428 /nfs/dbraw/zinc/36/44/28/569364428.db2.gz KWZCAMFASZLIQG-QMHKHESXSA-N 0 0 449.523 3.600 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000095415935 569365260 /nfs/dbraw/zinc/36/52/60/569365260.db2.gz UGWRTGMLPGKKNX-RYUDHWBXSA-N 0 0 447.395 3.502 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC000095423962 569365732 /nfs/dbraw/zinc/36/57/32/569365732.db2.gz DVICZQUJNXXGCL-QKKBWIMNSA-N 0 0 427.472 3.810 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@@H]1CCSC1 ZINC000095446682 569367311 /nfs/dbraw/zinc/36/73/11/569367311.db2.gz YUOVSKVBIIHUEM-WBVHZDCISA-N 0 0 435.640 3.941 50 0 IHAARN Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)CC2(C(F)(F)F)SCCS2)C1 ZINC000095449096 569367633 /nfs/dbraw/zinc/36/76/33/569367633.db2.gz GVZGYDUAXMUFLC-CYBMUJFWSA-N 0 0 433.521 3.696 50 0 IHAARN CN(CCC1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC000095455727 569368656 /nfs/dbraw/zinc/36/86/56/569368656.db2.gz WADPHAFCTQOXBI-UHFFFAOYSA-N 0 0 442.597 3.959 50 0 IHAARN CCc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(CC)o2)c2ccc3c(c2)OCCO3)o1 ZINC000095456321 569368812 /nfs/dbraw/zinc/36/88/12/569368812.db2.gz KAAMYWRXWUWVKB-SFHVURJKSA-N 0 0 438.480 3.670 50 0 IHAARN CCc1ccc(C(=O)NC[C@@H](NC(=O)c2ccc(CC)o2)c2ccc3c(c2)OCCO3)o1 ZINC000095456322 569368823 /nfs/dbraw/zinc/36/88/23/569368823.db2.gz KAAMYWRXWUWVKB-GOSISDBHSA-N 0 0 438.480 3.670 50 0 IHAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 ZINC000095456143 569368856 /nfs/dbraw/zinc/36/88/56/569368856.db2.gz DRAXEXAZCMKWTK-HXUWFJFHSA-N 0 0 431.920 3.721 50 0 IHAARN COc1cccc(CS(=O)(=O)NC[C@@](C)(O)C(c2ccccc2)c2ccccc2)c1 ZINC000095461894 569370051 /nfs/dbraw/zinc/37/00/51/569370051.db2.gz WAVGWXOEPPSXJC-XMMPIXPASA-N 0 0 425.550 3.698 50 0 IHAARN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000095462416 569370126 /nfs/dbraw/zinc/37/01/26/569370126.db2.gz ZINAICWIEJTJBY-UXHICEINSA-N 0 0 433.474 3.751 50 0 IHAARN CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000095480689 569373963 /nfs/dbraw/zinc/37/39/63/569373963.db2.gz DKSDFBBFOZZDIY-SFHVURJKSA-N 0 0 435.402 3.900 50 0 IHAARN Cc1nnc(SCC(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)s1 ZINC000095482031 569374194 /nfs/dbraw/zinc/37/41/94/569374194.db2.gz HHFPUTYAKWDAJE-UHFFFAOYSA-N 0 0 430.477 3.986 50 0 IHAARN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000095940339 569375360 /nfs/dbraw/zinc/37/53/60/569375360.db2.gz KJVGLUHJARIZGS-QGZVFWFLSA-N 0 0 427.339 3.590 50 0 IHAARN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)C2)cc1 ZINC000095942689 569375509 /nfs/dbraw/zinc/37/55/09/569375509.db2.gz WXRVQOZNNTVUPN-HXUWFJFHSA-N 0 0 433.549 3.811 50 0 IHAARN COc1ccc(C(=O)c2c(NC(=O)CSc3cccc(OC)c3)nc3n2CCC3)cc1 ZINC000095943469 569375665 /nfs/dbraw/zinc/37/56/65/569375665.db2.gz FUADRGGIERYWAK-UHFFFAOYSA-N 0 0 437.521 3.808 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cccnc1OCC(F)(F)F ZINC000095949660 569376548 /nfs/dbraw/zinc/37/65/48/569376548.db2.gz LHPXVFMMTYAUDZ-UHFFFAOYSA-N 0 0 436.409 3.823 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000095949298 569376578 /nfs/dbraw/zinc/37/65/78/569376578.db2.gz LJBOCPBMQFWNFN-UHFFFAOYSA-N 0 0 430.426 3.900 50 0 IHAARN O=C(Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1cc(Cl)[nH]c(=O)c1 ZINC000096012374 569380042 /nfs/dbraw/zinc/38/00/42/569380042.db2.gz IOMVDEWVWDEXNO-UHFFFAOYSA-N 0 0 447.676 3.690 50 0 IHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025379 569380657 /nfs/dbraw/zinc/38/06/57/569380657.db2.gz XEDCPJZONUHJNO-INIZCTEOSA-N 0 0 430.913 3.992 50 0 IHAARN COc1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1 ZINC000096097189 569381407 /nfs/dbraw/zinc/38/14/07/569381407.db2.gz QJHYSQSVFGZEHL-UHFFFAOYSA-N 0 0 443.521 3.520 50 0 IHAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4ccccc4Cl)CC3)C2=O)c1 ZINC000096105391 569382298 /nfs/dbraw/zinc/38/22/98/569382298.db2.gz SIUMCFFULRDSGA-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105331 569382359 /nfs/dbraw/zinc/38/23/59/569382359.db2.gz OTCYYEPWLOVCLQ-UHFFFAOYSA-N 0 0 432.307 3.720 50 0 IHAARN O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000096120406 569384902 /nfs/dbraw/zinc/38/49/02/569384902.db2.gz KCRIBRDIXQBYRS-UHFFFAOYSA-N 0 0 449.532 3.812 50 0 IHAARN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000096120923 569385078 /nfs/dbraw/zinc/38/50/78/569385078.db2.gz HEPGQQNCWHMADG-UHFFFAOYSA-N 0 0 429.830 3.616 50 0 IHAARN O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000096121682 569385178 /nfs/dbraw/zinc/38/51/78/569385178.db2.gz ZREGDDDXHHDALK-UHFFFAOYSA-N 0 0 436.459 3.820 50 0 IHAARN CC[C@@H](C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000096274227 569388140 /nfs/dbraw/zinc/38/81/40/569388140.db2.gz UTSVNQJAYZEPGR-QAPCUYQASA-N 0 0 444.582 3.678 50 0 IHAARN CCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096278523 569389070 /nfs/dbraw/zinc/38/90/70/569389070.db2.gz CYUSTZHYGXQVPR-UHFFFAOYSA-N 0 0 448.567 3.674 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1)C(C)=O ZINC000096279396 569389327 /nfs/dbraw/zinc/38/93/27/569389327.db2.gz YMFYUJCISSFLLV-JOCHJYFZSA-N 0 0 443.931 3.521 50 0 IHAARN CC(C)NC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000096280253 569389583 /nfs/dbraw/zinc/38/95/83/569389583.db2.gz IPZSHLBSZUTXDI-IBGZPJMESA-N 0 0 426.388 3.835 50 0 IHAARN Cc1cc([C@H]2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)C2CC2)ccc1F ZINC000096281562 569389915 /nfs/dbraw/zinc/38/99/15/569389915.db2.gz JTFXIYHBZLDUJM-PZJWPPBQSA-N 0 0 438.499 3.869 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000096287064 569390321 /nfs/dbraw/zinc/39/03/21/569390321.db2.gz CPFAZAKENGMKHO-CALCHBBNSA-N 0 0 448.491 3.749 50 0 IHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 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ZINC000002497324 569405752 /nfs/dbraw/zinc/40/57/52/569405752.db2.gz LHQPWHRGXPYDGT-RWGOJESNSA-N 0 0 446.525 3.786 50 0 IHAARN CCOC(=O)C1=C(C)OC(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000002513403 569407223 /nfs/dbraw/zinc/40/72/23/569407223.db2.gz CARDOQVWTWTWCO-SFHVURJKSA-N 0 0 433.913 3.893 50 0 IHAARN Cc1cc(OC2CN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)C2)cc(=O)n1C ZINC000225696864 569407337 /nfs/dbraw/zinc/40/73/37/569407337.db2.gz YJYBIVGCSSLAMH-UHFFFAOYSA-N 0 0 436.483 3.848 50 0 IHAARN COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000002617202 569410283 /nfs/dbraw/zinc/41/02/83/569410283.db2.gz RWFLPHWMKDSKNO-UHFFFAOYSA-N 0 0 439.489 3.655 50 0 IHAARN COc1ccc(NC(=O)c2ccc(N[C@@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000002629394 569412085 /nfs/dbraw/zinc/41/20/85/569412085.db2.gz UVXHPCKZVZJHHT-JOCHJYFZSA-N 0 0 429.476 3.687 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O ZINC000002630834 569412291 /nfs/dbraw/zinc/41/22/91/569412291.db2.gz ZOQOAIPUUVURJI-FQRUVTKNSA-N 0 0 433.552 3.759 50 0 IHAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000002634122 569412732 /nfs/dbraw/zinc/41/27/32/569412732.db2.gz UNYKGCIMXSGDSN-SFHVURJKSA-N 0 0 428.945 3.975 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000002645655 569414169 /nfs/dbraw/zinc/41/41/69/569414169.db2.gz IPFZCIBCGHQHMZ-UHFFFAOYSA-N 0 0 445.972 3.968 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)CC2)cc1 ZINC000215726749 569414198 /nfs/dbraw/zinc/41/41/98/569414198.db2.gz WLCNXSBDUFCHSW-LJQANCHMSA-N 0 0 446.334 3.650 50 0 IHAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cc1 ZINC000002647101 569414327 /nfs/dbraw/zinc/41/43/27/569414327.db2.gz BENJQOGFJGGKHB-UHFFFAOYSA-N 0 0 442.512 3.998 50 0 IHAARN COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccs2)cc1Cl ZINC000002652994 569415188 /nfs/dbraw/zinc/41/51/88/569415188.db2.gz LAWDYCXYACEKNH-UHFFFAOYSA-N 0 0 440.930 3.833 50 0 IHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1c(C)noc1C ZINC000002664845 569416463 /nfs/dbraw/zinc/41/64/63/569416463.db2.gz WBJASCILNHMLGJ-UHFFFAOYSA-N 0 0 428.466 3.992 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000230019739 569417501 /nfs/dbraw/zinc/41/75/01/569417501.db2.gz DMTOWFDANFMRDL-YTFSRNRJSA-N 0 0 442.471 3.914 50 0 IHAARN COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706422 569417567 /nfs/dbraw/zinc/41/75/67/569417567.db2.gz PAAKPMIRDCBZIN-UHFFFAOYSA-N 0 0 435.962 3.885 50 0 IHAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002708601 569417576 /nfs/dbraw/zinc/41/75/76/569417576.db2.gz FAKGIBNWUMBTPK-MSOLQXFVSA-N 0 0 449.989 3.698 50 0 IHAARN CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 ZINC000002706389 569417577 /nfs/dbraw/zinc/41/75/77/569417577.db2.gz KLFFMTZJMWPEDM-UHFFFAOYSA-N 0 0 433.534 3.761 50 0 IHAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000002725827 569418599 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COc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC ZINC000002914222 569424976 /nfs/dbraw/zinc/42/49/76/569424976.db2.gz XREUNLFAODWNKC-GJZGRUSLSA-N 0 0 446.305 3.608 50 0 IHAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922452 569425404 /nfs/dbraw/zinc/42/54/04/569425404.db2.gz DVGQUJJFFIAQMQ-ZDUSSCGKSA-N 0 0 442.516 3.559 50 0 IHAARN COc1nc(Nc2ccc(I)cc2)nc(NC2CCCCC2)n1 ZINC000002924919 569425496 /nfs/dbraw/zinc/42/54/96/569425496.db2.gz IDCDIPBHVBEVDZ-UHFFFAOYSA-N 0 0 425.274 3.973 50 0 IHAARN CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCCC1 ZINC000002927021 569425778 /nfs/dbraw/zinc/42/57/78/569425778.db2.gz VRIOZVUJGSFOIM-INIZCTEOSA-N 0 0 444.992 3.991 50 0 IHAARN Cc1nnc2nc(SCC(=O)NCc3ccc(C)cc3)n(-c3ccc(C)cc3)c(N)c1-2 ZINC000002927304 569425910 /nfs/dbraw/zinc/42/59/10/569425910.db2.gz AATZOKTYIOWQKT-UHFFFAOYSA-N 0 0 432.553 3.562 50 0 IHAARN O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)c1ccccc1 ZINC000056949905 569428323 /nfs/dbraw/zinc/42/83/23/569428323.db2.gz RZNULKHTMJDBCQ-UHFFFAOYSA-N 0 0 438.911 3.877 50 0 IHAARN O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccc(Cl)cc1 ZINC000056949986 569428448 /nfs/dbraw/zinc/42/84/48/569428448.db2.gz VHNFDOKRBLVQDL-UHFFFAOYSA-N 0 0 438.911 3.877 50 0 IHAARN CN(C)C(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000029231077 569429107 /nfs/dbraw/zinc/42/91/07/569429107.db2.gz BMGSZFUAURIIIV-HSZRJFAPSA-N 0 0 444.487 3.860 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000057050674 569429289 /nfs/dbraw/zinc/42/92/89/569429289.db2.gz WTLSKEINIUBMOV-UHFFFAOYSA-N 0 0 440.931 3.677 50 0 IHAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000057058674 569429388 /nfs/dbraw/zinc/42/93/88/569429388.db2.gz QMGYZYXLBLETHO-INIZCTEOSA-N 0 0 438.503 3.633 50 0 IHAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000057058670 569429459 /nfs/dbraw/zinc/42/94/59/569429459.db2.gz QMGYZYXLBLETHO-MRXNPFEDSA-N 0 0 438.503 3.633 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(C)c(Br)c(=O)c2cccc(OC)c21 ZINC000227163016 569431717 /nfs/dbraw/zinc/43/17/17/569431717.db2.gz AHLPWHLCLQTHPZ-UHFFFAOYSA-N 0 0 431.286 3.728 50 0 IHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccccc1C ZINC000002957151 569432390 /nfs/dbraw/zinc/43/23/90/569432390.db2.gz BVOHWCMVZOYZNX-UHFFFAOYSA-N 0 0 447.560 3.640 50 0 IHAARN CCOc1ccc([C@@H]2NC(=O)N=C(CN3CC=C(c4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415352 569434131 /nfs/dbraw/zinc/43/41/31/569434131.db2.gz PQIPTWRBXSSOBF-DEOSSOPVSA-N 0 0 447.535 3.656 50 0 IHAARN O=C(NCc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000057416490 569434169 /nfs/dbraw/zinc/43/41/69/569434169.db2.gz KLHHACAQXSAPQI-GFCCVEGCSA-N 0 0 425.685 3.911 50 0 IHAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415805 569434189 /nfs/dbraw/zinc/43/41/89/569434189.db2.gz BSFGRBIGRAWGFN-QHCPKHFHSA-N 0 0 437.540 3.779 50 0 IHAARN COCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000057425872 569434476 /nfs/dbraw/zinc/43/44/76/569434476.db2.gz GNYYLHPEIRAQNN-UHFFFAOYSA-N 0 0 427.910 3.628 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NC[C@H]2CCCO2)cc1C ZINC000057426333 569434568 /nfs/dbraw/zinc/43/45/68/569434568.db2.gz TXLZLJWQUMSVBK-QGZVFWFLSA-N 0 0 443.594 3.510 50 0 IHAARN CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000057426605 569434602 /nfs/dbraw/zinc/43/46/02/569434602.db2.gz INXIEGVERGONDS-UHFFFAOYSA-N 0 0 439.459 3.928 50 0 IHAARN CCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccsc2c1=O ZINC000057426415 569434612 /nfs/dbraw/zinc/43/46/12/569434612.db2.gz LBBXWVSFSLYPET-UHFFFAOYSA-N 0 0 431.539 3.776 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc(Cl)cc1F ZINC000057428817 569434970 /nfs/dbraw/zinc/43/49/70/569434970.db2.gz GUQFHRWUQJNFOX-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)c(Cl)c1 ZINC000057428800 569435011 /nfs/dbraw/zinc/43/50/11/569435011.db2.gz WNQHXXCJECLHFU-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 ZINC000057478624 569435901 /nfs/dbraw/zinc/43/59/01/569435901.db2.gz XWXFSUGVIZPAFE-UHFFFAOYSA-N 0 0 431.583 3.866 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000057486739 569436530 /nfs/dbraw/zinc/43/65/30/569436530.db2.gz OGAIMAZCMQTATC-MRXNPFEDSA-N 0 0 442.903 3.660 50 0 IHAARN CCc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000057487095 569436640 /nfs/dbraw/zinc/43/66/40/569436640.db2.gz ZKRDCDDSBQYHSF-UHFFFAOYSA-N 0 0 430.464 3.813 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3cccc(Cl)c3)c2=O)c1 ZINC000057490242 569437131 /nfs/dbraw/zinc/43/71/31/569437131.db2.gz ROTTXONBHURUJT-UHFFFAOYSA-N 0 0 439.924 3.839 50 0 IHAARN COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O ZINC000057490908 569437274 /nfs/dbraw/zinc/43/72/74/569437274.db2.gz HLDQUTBUAHQFCX-UHFFFAOYSA-N 0 0 449.532 3.985 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1 ZINC000057491465 569437327 /nfs/dbraw/zinc/43/73/27/569437327.db2.gz HGHAIHGTKYVXPN-UHFFFAOYSA-N 0 0 429.860 3.645 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)cc(C)c2)c1=O)c1ccccc1 ZINC000057492101 569437385 /nfs/dbraw/zinc/43/73/85/569437385.db2.gz XHFRMCDSNOTKLY-UHFFFAOYSA-N 0 0 433.533 3.884 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)cc(C)c2)c1=O ZINC000057492328 569437424 /nfs/dbraw/zinc/43/74/24/569437424.db2.gz NSYXYUZYHBMDKS-UHFFFAOYSA-N 0 0 449.532 3.786 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(C)ccc2C)c1=O ZINC000057492594 569437477 /nfs/dbraw/zinc/43/74/77/569437477.db2.gz WMLCXRVRIPQKQD-UHFFFAOYSA-N 0 0 449.532 3.868 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c(C)c1 ZINC000057493075 569437541 /nfs/dbraw/zinc/43/75/41/569437541.db2.gz OZKSYDVEYFNRMG-UHFFFAOYSA-N 0 0 447.560 3.580 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1 ZINC000003031315 569437636 /nfs/dbraw/zinc/43/76/36/569437636.db2.gz UEAQTICARYUAKF-UHFFFAOYSA-N 0 0 432.448 3.704 50 0 IHAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)ccc1F ZINC000057494319 569437650 /nfs/dbraw/zinc/43/76/50/569437650.db2.gz SEODELPLXJEAPW-UHFFFAOYSA-N 0 0 441.528 3.668 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(C)c3)c2=O)cc1C ZINC000057494674 569437733 /nfs/dbraw/zinc/43/77/33/569437733.db2.gz FMCNBHZBNRGNEU-UHFFFAOYSA-N 0 0 437.496 3.917 50 0 IHAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)cc1 ZINC000057506889 569438242 /nfs/dbraw/zinc/43/82/42/569438242.db2.gz HSICIBKAPTWJBK-UHFFFAOYSA-N 0 0 429.571 3.777 50 0 IHAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000057511252 569438609 /nfs/dbraw/zinc/43/86/09/569438609.db2.gz BMTSFRLKLKDSBM-UHFFFAOYSA-N 0 0 434.883 3.844 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@H](C(=O)NCc1cccnc1)C2 ZINC000230129355 569438870 /nfs/dbraw/zinc/43/88/70/569438870.db2.gz CRCAHFXGYDSWPU-RSXGOPAZSA-N 0 0 442.563 3.583 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000230138012 569439213 /nfs/dbraw/zinc/43/92/13/569439213.db2.gz RNPYIIHNVGVQTG-NOZRDPDXSA-N 0 0 447.604 3.983 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc(OCC)c1OCC ZINC000003216229 569441874 /nfs/dbraw/zinc/44/18/74/569441874.db2.gz SFYIDXAYGVHMBK-UHFFFAOYSA-N 0 0 427.497 3.624 50 0 IHAARN CCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 ZINC000003217435 569441883 /nfs/dbraw/zinc/44/18/83/569441883.db2.gz BPMFOLNSVZHBBU-UHFFFAOYSA-N 0 0 442.368 3.572 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000003219945 569441935 /nfs/dbraw/zinc/44/19/35/569441935.db2.gz RCOHNUWQXSGUIE-UHFFFAOYSA-N 0 0 438.505 3.752 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N1CCc2ccccc21 ZINC000003222295 569442046 /nfs/dbraw/zinc/44/20/46/569442046.db2.gz ULCMYIKLEBZSER-MRXNPFEDSA-N 0 0 426.567 3.867 50 0 IHAARN CCn1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2ccc(C)nc21 ZINC000003227953 569442213 /nfs/dbraw/zinc/44/22/13/569442213.db2.gz KCJUBTOBERRZKP-UHFFFAOYSA-N 0 0 433.386 3.539 50 0 IHAARN CCOC(=O)c1ccc(N2CCCN(c3nc(C)nc4sc5c(c43)CCC5)CC2)nc1 ZINC000057996942 569444390 /nfs/dbraw/zinc/44/43/90/569444390.db2.gz JUTYYAIPKISHKZ-UHFFFAOYSA-N 0 0 437.569 3.777 50 0 IHAARN CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000058009312 569444700 /nfs/dbraw/zinc/44/47/00/569444700.db2.gz GSPPYSFKVLPWGL-UHFFFAOYSA-N 0 0 445.585 3.841 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 ZINC000003301534 569445096 /nfs/dbraw/zinc/44/50/96/569445096.db2.gz WORICKLQVDDOHC-UHFFFAOYSA-N 0 0 449.488 3.919 50 0 IHAARN COc1ccc(OCCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003313292 569445593 /nfs/dbraw/zinc/44/55/93/569445593.db2.gz OZPSZPOQMNXCFL-UHFFFAOYSA-N 0 0 432.782 3.713 50 0 IHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000003315439 569445707 /nfs/dbraw/zinc/44/57/07/569445707.db2.gz WPQHRRBOLQAJDN-UHFFFAOYSA-N 0 0 443.477 3.950 50 0 IHAARN COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000058049083 569445983 /nfs/dbraw/zinc/44/59/83/569445983.db2.gz MHMMDBMUVREQPG-OAHLLOKOSA-N 0 0 432.723 3.604 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000003324717 569446131 /nfs/dbraw/zinc/44/61/31/569446131.db2.gz UEZDJAHHKKHPNC-CYBMUJFWSA-N 0 0 432.318 3.549 50 0 IHAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003329723 569446387 /nfs/dbraw/zinc/44/63/87/569446387.db2.gz HEOZQFGVBAARES-UHFFFAOYSA-N 0 0 429.400 3.918 50 0 IHAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C(=O)[C@@H]2C)cc1 ZINC000003343902 569447015 /nfs/dbraw/zinc/44/70/15/569447015.db2.gz PVWMYNUGFUTHRH-AWEZNQCLSA-N 0 0 430.302 3.862 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000003350994 569447382 /nfs/dbraw/zinc/44/73/82/569447382.db2.gz PATZLGOJZSWIMX-IBGZPJMESA-N 0 0 440.883 3.764 50 0 IHAARN Cc1c(Cl)cnc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1Cl ZINC000003352082 569447402 /nfs/dbraw/zinc/44/74/02/569447402.db2.gz NZQOIFKXZXGLLL-ZDUSSCGKSA-N 0 0 440.308 3.682 50 0 IHAARN CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000003359866 569447837 /nfs/dbraw/zinc/44/78/37/569447837.db2.gz LBQPSRDEUWAPQK-UHFFFAOYSA-N 0 0 428.941 3.866 50 0 IHAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OCC(C)C)c(OC)c1 ZINC000058111107 569447862 /nfs/dbraw/zinc/44/78/62/569447862.db2.gz ARIFRZPWFICYAO-HNNXBMFYSA-N 0 0 431.558 3.800 50 0 IHAARN COc1ccc(CCN(C)C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1OC ZINC000030778419 569448034 /nfs/dbraw/zinc/44/80/34/569448034.db2.gz LCXULOYMGSKMOX-UHFFFAOYSA-N 0 0 443.503 3.718 50 0 IHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cccc(Br)c1 ZINC000003365796 569448164 /nfs/dbraw/zinc/44/81/64/569448164.db2.gz GSTUSDNCTNUSDK-UHFFFAOYSA-N 0 0 425.304 3.881 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)o2)cc1OC ZINC000003369011 569448253 /nfs/dbraw/zinc/44/82/53/569448253.db2.gz JFOZOLIZGMZHHE-CQSZACIVSA-N 0 0 425.510 3.819 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 ZINC000058130838 569448390 /nfs/dbraw/zinc/44/83/90/569448390.db2.gz KFCRDOJWKYRVPL-CLCXKQKWSA-N 0 0 427.383 3.550 50 0 IHAARN Cc1sc2ncnc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)c2c1C ZINC000003372717 569448536 /nfs/dbraw/zinc/44/85/36/569448536.db2.gz HAFMFTKTJVLTDV-UHFFFAOYSA-N 0 0 439.946 3.775 50 0 IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003378136 569448673 /nfs/dbraw/zinc/44/86/73/569448673.db2.gz BTHZABNCFPPYHB-LJQANCHMSA-N 0 0 437.805 3.691 50 0 IHAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC000003387766 569449024 /nfs/dbraw/zinc/44/90/24/569449024.db2.gz CMPINBYOUJODLJ-HXUWFJFHSA-N 0 0 428.554 3.724 50 0 IHAARN CC(C)Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 ZINC000003393236 569449355 /nfs/dbraw/zinc/44/93/55/569449355.db2.gz LWHSCSQOOMYFSF-UHFFFAOYSA-N 0 0 430.555 3.814 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCc1nc2ccccc2s1 ZINC000003398508 569449549 /nfs/dbraw/zinc/44/95/49/569449549.db2.gz RGZGJPKYERFDAW-SFHVURJKSA-N 0 0 438.958 3.996 50 0 IHAARN COC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc2c1=O ZINC000003402856 569449849 /nfs/dbraw/zinc/44/98/49/569449849.db2.gz YYKFWTBTTOHXKE-CQSZACIVSA-N 0 0 425.510 3.537 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003416764 569450260 /nfs/dbraw/zinc/45/02/60/569450260.db2.gz WQVNLGNNMHEZKH-MRXNPFEDSA-N 0 0 440.521 3.689 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000003418965 569450338 /nfs/dbraw/zinc/45/03/38/569450338.db2.gz NTACZQJUYVGNTF-OAQYLSRUSA-N 0 0 438.480 3.585 50 0 IHAARN CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 ZINC000058201503 569450363 /nfs/dbraw/zinc/45/03/63/569450363.db2.gz DFMLRQIDCMCRFX-UHFFFAOYSA-N 0 0 439.489 3.791 50 0 IHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Cl)cc1 ZINC000003425788 569450531 /nfs/dbraw/zinc/45/05/31/569450531.db2.gz DKZKFYGAIVNXSM-UHFFFAOYSA-N 0 0 435.929 3.944 50 0 IHAARN COCCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F ZINC000003426965 569450585 /nfs/dbraw/zinc/45/05/85/569450585.db2.gz PWWSCXKBFNOWDN-UHFFFAOYSA-N 0 0 448.438 3.510 50 0 IHAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 ZINC000003432479 569450881 /nfs/dbraw/zinc/45/08/81/569450881.db2.gz MBFJCRFHNRTGRD-JOCHJYFZSA-N 0 0 436.508 3.531 50 0 IHAARN CCCNC(=O)COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000003432729 569450913 /nfs/dbraw/zinc/45/09/13/569450913.db2.gz BOOIJJSYUOIJFB-UHFFFAOYSA-N 0 0 438.480 3.611 50 0 IHAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1 ZINC000003441862 569451293 /nfs/dbraw/zinc/45/12/93/569451293.db2.gz OQSWEEHKORFRQT-UHFFFAOYSA-N 0 0 448.516 3.541 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003445438 569451375 /nfs/dbraw/zinc/45/13/75/569451375.db2.gz OKFJCAPLSDKXBR-UHFFFAOYSA-N 0 0 449.492 3.999 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000003446844 569451450 /nfs/dbraw/zinc/45/14/50/569451450.db2.gz JOKVSIQQLYJFLL-UHFFFAOYSA-N 0 0 444.336 3.705 50 0 IHAARN O=C(Cc1coc(-c2ccccc2)n1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000031006831 569452342 /nfs/dbraw/zinc/45/23/42/569452342.db2.gz NMQWQMMCMVLAGA-UHFFFAOYSA-N 0 0 432.476 3.777 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000003502879 569452833 /nfs/dbraw/zinc/45/28/33/569452833.db2.gz FZJLHAZUXMKHSO-AREMUKBSSA-N 0 0 441.487 3.518 50 0 IHAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)NCCC1=CCCCC1 ZINC000003509704 569452894 /nfs/dbraw/zinc/45/28/94/569452894.db2.gz YCIMGQYFDOSVNH-UHFFFAOYSA-N 0 0 449.503 3.852 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N(C(C)C)C(C)C)c2)c1 ZINC000003510013 569452978 /nfs/dbraw/zinc/45/29/78/569452978.db2.gz ASLWZJAFAHQWIY-UHFFFAOYSA-N 0 0 446.569 3.906 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000003517303 569453108 /nfs/dbraw/zinc/45/31/08/569453108.db2.gz RPOJPAQRNBCLHY-UHFFFAOYSA-N 0 0 446.253 3.706 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(cccc3C)s2)cc1S(=O)(=O)N1CCCC1 ZINC000003524354 569453277 /nfs/dbraw/zinc/45/32/77/569453277.db2.gz LKSBXTJMOVNOBE-UHFFFAOYSA-N 0 0 431.539 3.650 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000003530092 569453359 /nfs/dbraw/zinc/45/33/59/569453359.db2.gz CZTYWBJOLCXFEL-SFHVURJKSA-N 0 0 436.277 3.769 50 0 IHAARN CC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000058357620 569453622 /nfs/dbraw/zinc/45/36/22/569453622.db2.gz AALHKLASTHLVEI-SNVBAGLBSA-N 0 0 434.279 3.883 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000003556093 569453922 /nfs/dbraw/zinc/45/39/22/569453922.db2.gz JDCFQBGLWHLGRB-UHFFFAOYSA-N 0 0 430.526 3.599 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000003559602 569454016 /nfs/dbraw/zinc/45/40/16/569454016.db2.gz RGLPFELJKFOENC-UHFFFAOYSA-N 0 0 436.533 3.935 50 0 IHAARN CCOCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O ZINC000003587962 569454487 /nfs/dbraw/zinc/45/44/87/569454487.db2.gz CPXJRMZHGBKROO-UHFFFAOYSA-N 0 0 441.553 3.946 50 0 IHAARN CCc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c2cccs2)cc1 ZINC000031260896 569455292 /nfs/dbraw/zinc/45/52/92/569455292.db2.gz HJBQBPKLQXFDFS-HSZRJFAPSA-N 0 0 446.580 3.870 50 0 IHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccccc4OC)cc3[nH]c2=S)cc1 ZINC000003632356 569455447 /nfs/dbraw/zinc/45/54/47/569455447.db2.gz KXEWODZVUOQRQT-UHFFFAOYSA-N 0 0 447.516 3.622 50 0 IHAARN O=C(c1ccncc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003653967 569455723 /nfs/dbraw/zinc/45/57/23/569455723.db2.gz ITYBZVWGFUGRFO-UHFFFAOYSA-N 0 0 446.893 3.939 50 0 IHAARN CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000058614961 569456571 /nfs/dbraw/zinc/45/65/71/569456571.db2.gz LYKURXLFZYDTFQ-INIZCTEOSA-N 0 0 435.307 3.665 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000031418490 569456392 /nfs/dbraw/zinc/45/63/92/569456392.db2.gz GHSZXXKNZDVNOE-KRWDZBQOSA-N 0 0 435.911 3.943 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 ZINC000031816625 569457970 /nfs/dbraw/zinc/45/79/70/569457970.db2.gz ZPMYLTGHPXBXFA-IBGZPJMESA-N 0 0 447.495 3.732 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000031817559 569458015 /nfs/dbraw/zinc/45/80/15/569458015.db2.gz HXWKSCDWFYEPNF-KKSFZXQISA-N 0 0 447.564 3.943 50 0 IHAARN CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)ccc1OCc1cccnc1 ZINC000031912978 569458411 /nfs/dbraw/zinc/45/84/11/569458411.db2.gz SYYNUJFPQMMMQX-UHFFFAOYSA-N 0 0 434.496 3.543 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccnc3)CC2)c(C)c1 ZINC000031941849 569458490 /nfs/dbraw/zinc/45/84/90/569458490.db2.gz JVRHFRKSCZUQSD-JOCHJYFZSA-N 0 0 441.597 3.771 50 0 IHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-n2cnnn2)ccc1Br ZINC000032069563 569459100 /nfs/dbraw/zinc/45/91/00/569459100.db2.gz ILSKPANVOMEHHC-UHFFFAOYSA-N 0 0 445.708 3.532 50 0 IHAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(CC(=O)NC5CCCCC5)c4=O)c3cc2CO1 ZINC000032072655 569459266 /nfs/dbraw/zinc/45/92/66/569459266.db2.gz IJWFTEWUVYXUPH-QHCPKHFHSA-N 0 0 440.569 3.697 50 0 IHAARN COc1ccccc1-n1cnc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2c1=O ZINC000032087596 569459473 /nfs/dbraw/zinc/45/94/73/569459473.db2.gz UWKZMVVINHQOLG-UHFFFAOYSA-N 0 0 428.448 3.605 50 0 IHAARN CC(C)[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)N1Cc2ccccc2C1=O ZINC000032092068 569459647 /nfs/dbraw/zinc/45/96/47/569459647.db2.gz XBLGTAGBTZYBGL-NRFANRHFSA-N 0 0 426.944 3.831 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C12CCCC2 ZINC000032092292 569459658 /nfs/dbraw/zinc/45/96/58/569459658.db2.gz ADLWNUHSBWHRMT-QFIPXVFZSA-N 0 0 438.524 3.841 50 0 IHAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000032096701 569459888 /nfs/dbraw/zinc/45/98/88/569459888.db2.gz WOMYOKFEMWJJHW-ZDUSSCGKSA-N 0 0 427.254 3.547 50 0 IHAARN COc1cc2cc([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2cc1OC ZINC000004171889 569460629 /nfs/dbraw/zinc/46/06/29/569460629.db2.gz WOHXGVWAACVQRU-OAHLLOKOSA-N 0 0 435.889 3.609 50 0 IHAARN CCc1ccc(O[C@](NC(=O)Nc2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208089 569460926 /nfs/dbraw/zinc/46/09/26/569460926.db2.gz COCSIRQVPLALSV-LJQANCHMSA-N 0 0 426.391 3.890 50 0 IHAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)n1C(C)C ZINC000008209499 569462402 /nfs/dbraw/zinc/46/24/02/569462402.db2.gz SAZBOHSOIVLPQU-UHFFFAOYSA-N 0 0 431.602 3.956 50 0 IHAARN Cc1ccc(-n2ncc3c2c(SCC(=O)Nc2ccc4c(c2)OCO4)nnc3C)cc1 ZINC000038488199 569463020 /nfs/dbraw/zinc/46/30/20/569463020.db2.gz HSAOFYKDRDOGRK-UHFFFAOYSA-N 0 0 433.493 3.892 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000038518428 569463130 /nfs/dbraw/zinc/46/31/30/569463130.db2.gz LZKZYUZKAJLNLA-HNNXBMFYSA-N 0 0 440.887 3.742 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 ZINC000008435627 569464352 /nfs/dbraw/zinc/46/43/52/569464352.db2.gz CAELYAMPRLKMCH-UHFFFAOYSA-N 0 0 425.445 3.553 50 0 IHAARN CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000067192635 569464413 /nfs/dbraw/zinc/46/44/13/569464413.db2.gz PQQLQUKFQNCCGH-OAHLLOKOSA-N 0 0 448.552 3.879 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C)c2C)c1=O ZINC000067218376 569464998 /nfs/dbraw/zinc/46/49/98/569464998.db2.gz AQFGEMGOCCQQGW-UHFFFAOYSA-N 0 0 447.560 3.879 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 ZINC000067226625 569465329 /nfs/dbraw/zinc/46/53/29/569465329.db2.gz AYVWDHIVHXTKQE-UHFFFAOYSA-N 0 0 445.523 3.856 50 0 IHAARN Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c21 ZINC000067235762 569465366 /nfs/dbraw/zinc/46/53/66/569465366.db2.gz UGXOWDBHJXWGNN-UHFFFAOYSA-N 0 0 428.826 3.972 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c1 ZINC000067237309 569465487 /nfs/dbraw/zinc/46/54/87/569465487.db2.gz SJUHTAZRBIGJHH-UHFFFAOYSA-N 0 0 438.484 3.901 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067237999 569465579 /nfs/dbraw/zinc/46/55/79/569465579.db2.gz SCLMDQGMOYVWKD-UHFFFAOYSA-N 0 0 444.557 3.827 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000067238318 569465605 /nfs/dbraw/zinc/46/56/05/569465605.db2.gz LOBYZACEWPFJNX-UHFFFAOYSA-N 0 0 442.541 3.741 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000067239257 569465702 /nfs/dbraw/zinc/46/57/02/569465702.db2.gz CTGUTLVCZTUOFT-HUUCEWRRSA-N 0 0 428.558 3.982 50 0 IHAARN O=C1CCCN1c1ccc(Cn2c3ccsc3c(=O)n(-c3cccc(F)c3)c2=O)cc1 ZINC000067258275 569466136 /nfs/dbraw/zinc/46/61/36/569466136.db2.gz YROXKWWZKRNKID-UHFFFAOYSA-N 0 0 435.480 3.528 50 0 IHAARN Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O ZINC000067258054 569466175 /nfs/dbraw/zinc/46/61/75/569466175.db2.gz NNEAXNCWFATQHB-UHFFFAOYSA-N 0 0 431.517 3.697 50 0 IHAARN CC(C)c1ccc(-c2cc3c4nn(Cc5ccc6c(c5)OCO6)c(=O)n4ccn3n2)cc1 ZINC000067260569 569466392 /nfs/dbraw/zinc/46/63/92/569466392.db2.gz FVSJPBQYDOXXLV-UHFFFAOYSA-N 0 0 427.464 3.711 50 0 IHAARN O=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Cl ZINC000038670411 569466400 /nfs/dbraw/zinc/46/64/00/569466400.db2.gz XARQNQBBGUEWEF-UHFFFAOYSA-N 0 0 426.889 3.860 50 0 IHAARN COc1ccc(-c2cc3c(N4CCN(c5ccccc5OC)CC4)nccn3n2)cc1OC ZINC000067285335 569466771 /nfs/dbraw/zinc/46/67/71/569466771.db2.gz MBVYHYOOQURMAR-UHFFFAOYSA-N 0 0 445.523 3.749 50 0 IHAARN CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 ZINC000067284685 569466800 /nfs/dbraw/zinc/46/68/00/569466800.db2.gz LOBSZBFSHRQJBQ-UHFFFAOYSA-N 0 0 426.908 3.563 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O)Nc1ccccc1 ZINC000067292006 569467750 /nfs/dbraw/zinc/46/77/50/569467750.db2.gz LZJBIOAQNRSCNH-UHFFFAOYSA-N 0 0 439.471 3.791 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000067299528 569468143 /nfs/dbraw/zinc/46/81/43/569468143.db2.gz PUDKJNCLFAFOFU-OAHLLOKOSA-N 0 0 428.558 3.811 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000067301257 569468283 /nfs/dbraw/zinc/46/82/83/569468283.db2.gz WGLODJGBAZNIQA-UHFFFAOYSA-N 0 0 445.441 3.719 50 0 IHAARN CC(C)CCC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000008525817 569468286 /nfs/dbraw/zinc/46/82/86/569468286.db2.gz DEJLHXZQYVMAOT-KRWDZBQOSA-N 0 0 427.545 3.611 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000067323387 569468762 /nfs/dbraw/zinc/46/87/62/569468762.db2.gz MFGDPCCOTFYWSN-UHFFFAOYSA-N 0 0 435.381 3.944 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 ZINC000067335295 569468882 /nfs/dbraw/zinc/46/88/82/569468882.db2.gz RUUGMVPHDRGWNW-UHFFFAOYSA-N 0 0 425.535 3.816 50 0 IHAARN CCOc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccccc3)c4=O)n2)cc1 ZINC000067341497 569469054 /nfs/dbraw/zinc/46/90/54/569469054.db2.gz ONBCSMDBZFFNAR-UHFFFAOYSA-N 0 0 440.459 3.854 50 0 IHAARN COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)cc1 ZINC000067341525 569469064 /nfs/dbraw/zinc/46/90/64/569469064.db2.gz VZWKAOSYDCUDFT-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN CCOC(=O)c1sc2[nH]c(COC(=O)c3cc(C)nc4ccccc43)nc(=O)c2c1C ZINC000008569160 569469119 /nfs/dbraw/zinc/46/91/19/569469119.db2.gz GNBQZKYJMZDJJP-UHFFFAOYSA-N 0 0 437.477 3.683 50 0 IHAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 ZINC000038834745 569469222 /nfs/dbraw/zinc/46/92/22/569469222.db2.gz ZKIVRVXAHYTSCW-MRXNPFEDSA-N 0 0 448.850 3.915 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1OC ZINC000008595460 569469274 /nfs/dbraw/zinc/46/92/74/569469274.db2.gz CTIXACJDBGAPNJ-UHFFFAOYSA-N 0 0 446.550 3.908 50 0 IHAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 ZINC000038850619 569469287 /nfs/dbraw/zinc/46/92/87/569469287.db2.gz BFFDDYXSQOECJW-INIZCTEOSA-N 0 0 448.850 3.915 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c(C)c1 ZINC000008601799 569469355 /nfs/dbraw/zinc/46/93/55/569469355.db2.gz QNBCORUZDGVXJV-UHFFFAOYSA-N 0 0 434.565 3.831 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000008634695 569469527 /nfs/dbraw/zinc/46/95/27/569469527.db2.gz CFYFEYGDHLUKDW-QYBDOPJKSA-N 0 0 427.504 3.998 50 0 IHAARN COc1cccc2cc(C(=O)NCC[C@@H]3CCCCN3S(=O)(=O)c3cccs3)oc21 ZINC000038934943 569469566 /nfs/dbraw/zinc/46/95/66/569469566.db2.gz UWSAWNUSRNLLMC-INIZCTEOSA-N 0 0 448.566 3.866 50 0 IHAARN COc1cc(-c2nnc(S[C@@H]3CCOC3=O)n2C2CCCCC2)cc(OC)c1OC ZINC000008645566 569469641 /nfs/dbraw/zinc/46/96/41/569469641.db2.gz MKPNODKNZUPOFQ-QGZVFWFLSA-N 0 0 433.530 3.884 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(C)o1)[C@@H]1c3ccccc3CCN1C2=O ZINC000008661703 569469832 /nfs/dbraw/zinc/46/98/32/569469832.db2.gz QPWHPPARJUBKRV-ZEQRLZLVSA-N 0 0 446.503 3.758 50 0 IHAARN COc1cccc(-n2nc(C(=O)Nc3cc(OC)ccc3OC)c3ccccc3c2=O)c1 ZINC000008662549 569470006 /nfs/dbraw/zinc/47/00/06/569470006.db2.gz QFXKSHBHWOYFIT-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1C ZINC000008710304 569470863 /nfs/dbraw/zinc/47/08/63/569470863.db2.gz OZMXMDBLEWBMPO-UHFFFAOYSA-N 0 0 443.569 3.739 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000008719928 569471476 /nfs/dbraw/zinc/47/14/76/569471476.db2.gz DKQIAVDEYNQBFD-UHFFFAOYSA-N 0 0 449.945 3.699 50 0 IHAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000008724244 569471943 /nfs/dbraw/zinc/47/19/43/569471943.db2.gz LQUXWXMORNQFDU-SFHVURJKSA-N 0 0 429.567 3.538 50 0 IHAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008724482 569472000 /nfs/dbraw/zinc/47/20/00/569472000.db2.gz FDVHYZRBTKRLOY-CQSZACIVSA-N 0 0 426.567 3.828 50 0 IHAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 ZINC000008726164 569472305 /nfs/dbraw/zinc/47/23/05/569472305.db2.gz FYQOCTMMYQWVIC-IERDGZPVSA-N 0 0 430.508 3.950 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000008735910 569472644 /nfs/dbraw/zinc/47/26/44/569472644.db2.gz VQPHSTBFMXPPJU-CYBMUJFWSA-N 0 0 448.508 3.599 50 0 IHAARN COc1cc2c(cc1NC(=O)CCNS(=O)(=O)c1c(C)noc1C)oc1ccccc12 ZINC000008736032 569472696 /nfs/dbraw/zinc/47/26/96/569472696.db2.gz AAJBEQXMAXLRCZ-UHFFFAOYSA-N 0 0 443.481 3.507 50 0 IHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Br)c1 ZINC000008753980 569473824 /nfs/dbraw/zinc/47/38/24/569473824.db2.gz PXINEDJKAFJXJD-UHFFFAOYSA-N 0 0 439.737 3.646 50 0 IHAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 ZINC000008779061 569475505 /nfs/dbraw/zinc/47/55/05/569475505.db2.gz QMDIPDKSNWCMLR-QGZVFWFLSA-N 0 0 428.554 3.862 50 0 IHAARN COc1ccccc1CNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791099 569476136 /nfs/dbraw/zinc/47/61/36/569476136.db2.gz ZCZAKTXYTRHCCK-WIOPSUGQSA-N 0 0 437.499 3.963 50 0 biogenic IHAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1ccccc1Cl ZINC000008799625 569476453 /nfs/dbraw/zinc/47/64/53/569476453.db2.gz UFUXDQBWJMQKCR-UHFFFAOYSA-N 0 0 448.862 3.932 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 ZINC000008825822 569477472 /nfs/dbraw/zinc/47/74/72/569477472.db2.gz AXOZAEYREJZGHZ-UHFFFAOYSA-N 0 0 444.538 3.515 50 0 IHAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000008840274 569478331 /nfs/dbraw/zinc/47/83/31/569478331.db2.gz NMPQPUJCWGIMMW-UHFFFAOYSA-N 0 0 442.562 3.543 50 0 IHAARN COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000008845306 569478871 /nfs/dbraw/zinc/47/88/71/569478871.db2.gz HEJZXLHPYFUKSI-XMMPIXPASA-N 0 0 442.475 3.940 50 0 IHAARN COc1ccc(OCCNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000008853353 569479554 /nfs/dbraw/zinc/47/95/54/569479554.db2.gz WAFHQMHORMJLLV-UHFFFAOYSA-N 0 0 429.476 3.512 50 0 IHAARN CN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008855756 569479710 /nfs/dbraw/zinc/47/97/10/569479710.db2.gz UPJTYQCJEBXYQJ-IBGZPJMESA-N 0 0 443.956 3.511 50 0 IHAARN CN(C)c1nc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 ZINC000008872974 569481012 /nfs/dbraw/zinc/48/10/12/569481012.db2.gz XPOIPIVHRYJHLA-UHFFFAOYSA-N 0 0 430.831 3.828 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000008877394 569481199 /nfs/dbraw/zinc/48/11/99/569481199.db2.gz CVOSZXGKBXPTQY-UHFFFAOYSA-N 0 0 447.413 3.639 50 0 IHAARN COc1ccc2c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1OC ZINC000008878454 569481255 /nfs/dbraw/zinc/48/12/55/569481255.db2.gz OLPJOVXNACHFSU-AWEZNQCLSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc32)C1=O ZINC000008880684 569481527 /nfs/dbraw/zinc/48/15/27/569481527.db2.gz IJXBQRVHGXOTPS-WGDIFIGCSA-N 0 0 445.519 3.579 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1CN1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000039990595 569482306 /nfs/dbraw/zinc/48/23/06/569482306.db2.gz BMHDWVMACPBHSO-UHFFFAOYSA-N 0 0 449.551 3.665 50 0 IHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008881679 569482932 /nfs/dbraw/zinc/48/29/32/569482932.db2.gz ZWKCKWQPUJFMEN-UHFFFAOYSA-N 0 0 431.539 3.857 50 0 IHAARN CC(C)Cn1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000008882368 569482947 /nfs/dbraw/zinc/48/29/47/569482947.db2.gz GYEUWIKRLQKKPI-HNNXBMFYSA-N 0 0 439.537 3.578 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cc4ccccc4s3)ccc21 ZINC000008883975 569483104 /nfs/dbraw/zinc/48/31/04/569483104.db2.gz MMICLIYDGCANCA-UHFFFAOYSA-N 0 0 429.519 3.653 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 ZINC000008893868 569483676 /nfs/dbraw/zinc/48/36/76/569483676.db2.gz YERMQJNEVVPHDL-UHFFFAOYSA-N 0 0 430.537 3.887 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000008898658 569483972 /nfs/dbraw/zinc/48/39/72/569483972.db2.gz FFQYUWOXPVOVIG-XMMPIXPASA-N 0 0 449.532 3.757 50 0 IHAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2sc(C)nc2C)o1 ZINC000040050102 569484133 /nfs/dbraw/zinc/48/41/33/569484133.db2.gz BKAXAORPHWSGOM-UHFFFAOYSA-N 0 0 448.570 3.968 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)cc1 ZINC000008908252 569484665 /nfs/dbraw/zinc/48/46/65/569484665.db2.gz UDPWESIHGRTCEF-HNNXBMFYSA-N 0 0 440.550 3.831 50 0 IHAARN O=C(NCc1ccccc1Br)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000008911709 569484893 /nfs/dbraw/zinc/48/48/93/569484893.db2.gz VYSKMRHYVLZICD-UHFFFAOYSA-N 0 0 432.343 3.825 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)cc1OC ZINC000008912210 569484975 /nfs/dbraw/zinc/48/49/75/569484975.db2.gz HQBUGOSIWPJSBH-UHFFFAOYSA-N 0 0 442.537 3.957 50 0 IHAARN C=C1C(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000008912011 569484979 /nfs/dbraw/zinc/48/49/79/569484979.db2.gz CPJQBORFVMSWRJ-INIZCTEOSA-N 0 0 443.613 3.747 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)s1 ZINC000008912424 569484997 /nfs/dbraw/zinc/48/49/97/569484997.db2.gz AXQNHFLKESTJLS-UHFFFAOYSA-N 0 0 449.019 3.659 50 0 IHAARN Cc1ccc(CNc2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008912343 569485003 /nfs/dbraw/zinc/48/50/03/569485003.db2.gz MNKFXDBAFNKIGM-UHFFFAOYSA-N 0 0 436.580 3.608 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1F ZINC000008912595 569485047 /nfs/dbraw/zinc/48/50/47/569485047.db2.gz UOSHIUWBXIBBPL-UHFFFAOYSA-N 0 0 435.499 3.831 50 0 IHAARN CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 ZINC000040070144 569485602 /nfs/dbraw/zinc/48/56/02/569485602.db2.gz JQIRYPVZYYLHAO-UHFFFAOYSA-N 0 0 428.535 3.724 50 0 IHAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000008916707 569485808 /nfs/dbraw/zinc/48/58/08/569485808.db2.gz YRLWPOMTSOGIRB-UHFFFAOYSA-N 0 0 448.957 3.630 50 0 IHAARN C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)c1cc2ccccc2o1 ZINC000040071975 569485837 /nfs/dbraw/zinc/48/58/37/569485837.db2.gz SVFNMFFRZREGSX-PUAOIOHZSA-N 0 0 431.492 3.999 50 0 IHAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917051 569485896 /nfs/dbraw/zinc/48/58/96/569485896.db2.gz WNKOOTZLXXNYMW-LAUBAEHRSA-N 0 0 437.517 3.649 50 0 IHAARN CCOC(=O)c1ccc2nc(NC(=O)c3nn(-c4cccc(C)c4)ccc3=O)sc2c1 ZINC000008917517 569486042 /nfs/dbraw/zinc/48/60/42/569486042.db2.gz JHMOHMKQKYCRMD-UHFFFAOYSA-N 0 0 434.477 3.580 50 0 IHAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000040074033 569486240 /nfs/dbraw/zinc/48/62/40/569486240.db2.gz OJBVJWMEUFCNRZ-KRWDZBQOSA-N 0 0 429.476 3.811 50 0 IHAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccccc1 ZINC000008919725 569486502 /nfs/dbraw/zinc/48/65/02/569486502.db2.gz GQMHYBBADIFJDI-XQNSMLJCSA-N 0 0 444.512 3.923 50 0 IHAARN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(I)cc1 ZINC000040081544 569486630 /nfs/dbraw/zinc/48/66/30/569486630.db2.gz ZQCHOJKWJKSBGL-UHFFFAOYSA-N 0 0 428.613 3.528 50 0 IHAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)Nc1ccccc1F ZINC000008931841 569487625 /nfs/dbraw/zinc/48/76/25/569487625.db2.gz LWRNGPOQZMERMX-NRFANRHFSA-N 0 0 438.480 3.716 50 0 IHAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCCCCC1 ZINC000008933317 569487820 /nfs/dbraw/zinc/48/78/20/569487820.db2.gz LTBYAUJZKYEFMW-UHFFFAOYSA-N 0 0 432.499 3.941 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 ZINC000008933614 569487873 /nfs/dbraw/zinc/48/78/73/569487873.db2.gz JRMIVQAWBVYPHL-UHFFFAOYSA-N 0 0 430.508 3.961 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(NCC(C)C)n1 ZINC000008942240 569488674 /nfs/dbraw/zinc/48/86/74/569488674.db2.gz CWOOWHGTIHETIS-UHFFFAOYSA-N 0 0 442.633 3.949 50 0 IHAARN C[C@]1(c2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)NC(=O)NC1=O ZINC000040111084 569488786 /nfs/dbraw/zinc/48/87/86/569488786.db2.gz ZQXAGJDKQKZJIF-OAQYLSRUSA-N 0 0 427.551 3.862 50 0 IHAARN O=C(NCc1cccc(OCC(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000040111891 569488887 /nfs/dbraw/zinc/48/88/87/569488887.db2.gz WZIWDNYBGIJMBY-UHFFFAOYSA-N 0 0 428.842 3.604 50 0 IHAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cn2)c1 ZINC000040112505 569488947 /nfs/dbraw/zinc/48/89/47/569488947.db2.gz QZOXTMYUHUHFBS-UHFFFAOYSA-N 0 0 428.492 3.976 50 0 IHAARN O=C1CCc2cc(S(=O)(=O)N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)ccc2N1 ZINC000040116302 569489244 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O=C(NCc1nnc2ccccn21)c1ccc(COc2cccc(Br)c2)o1 ZINC000040143887 569491966 /nfs/dbraw/zinc/49/19/66/569491966.db2.gz IMZATDODHFFBIO-UHFFFAOYSA-N 0 0 427.258 3.594 50 0 IHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000040148915 569492438 /nfs/dbraw/zinc/49/24/38/569492438.db2.gz OFEMKNYSZSQUJI-OAHLLOKOSA-N 0 0 440.935 3.860 50 0 IHAARN Cc1cccnc1NC(=O)C1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000040149591 569492530 /nfs/dbraw/zinc/49/25/30/569492530.db2.gz OPJDBTNKWXOQIR-UHFFFAOYSA-N 0 0 445.361 3.750 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 ZINC000008971684 569492710 /nfs/dbraw/zinc/49/27/10/569492710.db2.gz BEYZBWQLQWKFGV-MRXNPFEDSA-N 0 0 432.549 3.594 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1 ZINC000040150139 569493150 /nfs/dbraw/zinc/49/31/50/569493150.db2.gz XCJWVYWXMGDZPG-MRXNPFEDSA-N 0 0 425.510 3.724 50 0 IHAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](c3nccn3C)c3ccccc3)C2)c1 ZINC000040150805 569493242 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569504931 /nfs/dbraw/zinc/50/49/31/569504931.db2.gz YLHLHASLJKBZEP-UHFFFAOYSA-N 0 0 441.944 3.776 50 0 IHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1 ZINC000009126579 569505014 /nfs/dbraw/zinc/50/50/14/569505014.db2.gz HIGCDVSERXRJQV-UHFFFAOYSA-N 0 0 433.489 3.810 50 0 IHAARN CCOC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(CCOC)c2=S)CC1 ZINC000009127653 569505244 /nfs/dbraw/zinc/50/52/44/569505244.db2.gz QPAMNJXQBBLBJS-UHFFFAOYSA-N 0 0 438.981 3.613 50 0 IHAARN CCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000245380613 569505594 /nfs/dbraw/zinc/50/55/94/569505594.db2.gz CNFXJPSXFJUCCA-FOIQADDNSA-N 0 0 449.573 3.580 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1cccc(Cl)c1 ZINC000009129864 569505875 /nfs/dbraw/zinc/50/58/75/569505875.db2.gz NPIGYNGMPGQYMI-MRXNPFEDSA-N 0 0 425.872 3.793 50 0 IHAARN CCOc1ccc(C(=O)N2CCc3c(c(-c4nnc(-c5ccccc5F)o4)nn3C)C2)cc1 ZINC000040455100 569506562 /nfs/dbraw/zinc/50/65/62/569506562.db2.gz RTYNKISQZMJZFE-UHFFFAOYSA-N 0 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ZINC000009152833 569507853 /nfs/dbraw/zinc/50/78/53/569507853.db2.gz RFLVUUHVMNTXET-HUUCEWRRSA-N 0 0 432.567 3.927 50 0 IHAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(C(=O)OCC)cc3)c(=O)c21 ZINC000009153425 569508094 /nfs/dbraw/zinc/50/80/94/569508094.db2.gz WOZMJAYQADIBEZ-UHFFFAOYSA-N 0 0 432.480 3.577 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165810 569508758 /nfs/dbraw/zinc/50/87/58/569508758.db2.gz XGFCNFNOKTVMOX-UHFFFAOYSA-N 0 0 445.541 3.607 50 0 IHAARN CN1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000009169903 569509245 /nfs/dbraw/zinc/50/92/45/569509245.db2.gz AEKFQWQCXKBAAJ-UHFFFAOYSA-N 0 0 439.331 3.631 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2cccc(OC)c2)c1=O ZINC000009185165 569510071 /nfs/dbraw/zinc/51/00/71/569510071.db2.gz URDSRXQEUHVYHW-UHFFFAOYSA-N 0 0 447.314 3.616 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(Cc2ccccc2)c1=O ZINC000009185193 569510086 /nfs/dbraw/zinc/51/00/86/569510086.db2.gz XYRBHESGQMJUFO-UHFFFAOYSA-N 0 0 431.315 3.667 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CCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC(C)C ZINC000009431969 569534317 /nfs/dbraw/zinc/53/43/17/569534317.db2.gz GSVHVXPHHVVTAI-AREMUKBSSA-N 0 0 446.503 3.674 50 0 IHAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000009439418 569535080 /nfs/dbraw/zinc/53/50/80/569535080.db2.gz SWZDCBGZAUUDLZ-UHFFFAOYSA-N 0 0 433.483 3.857 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1C ZINC000009439529 569535082 /nfs/dbraw/zinc/53/50/82/569535082.db2.gz KCOWZJVWDSEXQU-CBGDNZLLSA-N 0 0 444.553 3.585 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)o2)cc(OC)c1OC ZINC000009442884 569535647 /nfs/dbraw/zinc/53/56/47/569535647.db2.gz AOCBEYWNELJSCR-UHFFFAOYSA-N 0 0 441.509 3.982 50 0 IHAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)ccc2o1 ZINC000009447572 569536021 /nfs/dbraw/zinc/53/60/21/569536021.db2.gz ZISSJNZZEKFXCO-UHFFFAOYSA-N 0 0 427.507 3.929 50 0 IHAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009449348 569536196 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447.487 3.590 50 0 IHAARN COc1ccc2cc(CNC(=O)CNC(=O)c3ccccc3Br)ccc2c1 ZINC000009936437 569573805 /nfs/dbraw/zinc/57/38/05/569573805.db2.gz PWOYJQHBFUWLRV-UHFFFAOYSA-N 0 0 427.298 3.657 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)N1CCCC[C@H]1C ZINC000009937411 569573826 /nfs/dbraw/zinc/57/38/26/569573826.db2.gz AWTWHQFARXTJKK-CYBMUJFWSA-N 0 0 445.972 3.885 50 0 IHAARN CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000009951949 569574527 /nfs/dbraw/zinc/57/45/27/569574527.db2.gz BEDUVNXWFUNXJK-HNNXBMFYSA-N 0 0 436.541 3.642 50 0 IHAARN COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(Br)cc3F)C2=O)cc1 ZINC000071327814 569575391 /nfs/dbraw/zinc/57/53/91/569575391.db2.gz DKYIFKHAZATELA-UHFFFAOYSA-N 0 0 448.292 3.603 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009962060 569575638 /nfs/dbraw/zinc/57/56/38/569575638.db2.gz MSGHCQHLAKQZFL-OAHLLOKOSA-N 0 0 431.464 3.552 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009972370 569576381 /nfs/dbraw/zinc/57/63/81/569576381.db2.gz UBQYFEJVMHKVGL-XARZLDAJSA-N 0 0 447.535 3.806 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009987319 569576795 /nfs/dbraw/zinc/57/67/95/569576795.db2.gz CFQIGPWTIVXLAS-OAHLLOKOSA-N 0 0 443.341 3.689 50 0 IHAARN O=C(CSc1nc2ccccc2o1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009990611 569576884 /nfs/dbraw/zinc/57/68/84/569576884.db2.gz VTDPJXGSDIGVQD-UHFFFAOYSA-N 0 0 438.505 3.813 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000010022261 569577251 /nfs/dbraw/zinc/57/72/51/569577251.db2.gz WDDXJGZGZBJLTC-IFMALSPDSA-N 0 0 442.943 3.831 50 0 IHAARN CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2 ZINC000010035046 569577405 /nfs/dbraw/zinc/57/74/05/569577405.db2.gz IESLBSLUEQKESP-UHFFFAOYSA-N 0 0 437.233 3.642 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C(=O)OC)cc2)c1 ZINC000010062661 569577578 /nfs/dbraw/zinc/57/75/78/569577578.db2.gz KOZOFPYIONRTIQ-UHFFFAOYSA-N 0 0 430.464 3.588 50 0 IHAARN COc1ccc(-c2nc(NCc3cccs3)n(S(=O)(=O)c3ccccc3)n2)cc1 ZINC000010076653 569577654 /nfs/dbraw/zinc/57/76/54/569577654.db2.gz AEPFEBUGILDKOJ-UHFFFAOYSA-N 0 0 426.523 3.864 50 0 IHAARN O=C(CNc1ccc(SC(F)F)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010179343 569578278 /nfs/dbraw/zinc/57/82/78/569578278.db2.gz WFFCMKQDHVDDGU-MRXNPFEDSA-N 0 0 426.510 3.634 50 0 IHAARN Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c1 ZINC000010186694 569578421 /nfs/dbraw/zinc/57/84/21/569578421.db2.gz YTEGWHYWKIUXAN-UHFFFAOYSA-N 0 0 434.565 3.913 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000010188183 569578811 /nfs/dbraw/zinc/57/88/11/569578811.db2.gz UXSNVYPOYWIIOF-UHFFFAOYSA-N 0 0 447.878 3.757 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 ZINC000010213140 569579056 /nfs/dbraw/zinc/57/90/56/569579056.db2.gz GGOOGFYQSSECRD-FQEVSTJZSA-N 0 0 433.533 3.855 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000010239839 569579678 /nfs/dbraw/zinc/57/96/78/569579678.db2.gz UGQKBWLNPABROJ-SNVBAGLBSA-N 0 0 427.787 3.897 50 0 IHAARN Cc1ccc(C)c(CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)c1 ZINC000010243517 569579759 /nfs/dbraw/zinc/57/97/59/569579759.db2.gz XNIOOEZKMWKBSQ-UHFFFAOYSA-N 0 0 449.330 3.869 50 0 IHAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000010253407 569579978 /nfs/dbraw/zinc/57/99/78/569579978.db2.gz HWNOQDGGXVBHRY-UHFFFAOYSA-N 0 0 430.507 3.973 50 0 IHAARN COc1ccc(OCCNC(=O)c2sc3[nH]c(Cc4ccccc4)nc(=O)c3c2C)cc1 ZINC000010292195 569580551 /nfs/dbraw/zinc/58/05/51/569580551.db2.gz SGRNKOCRAHZUNK-UHFFFAOYSA-N 0 0 449.532 3.701 50 0 IHAARN COc1cccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)n[nH]c(=O)c3Nc3nnnn32)c1 ZINC000010298126 569580575 /nfs/dbraw/zinc/58/05/75/569580575.db2.gz RKXUMWOPPJJBER-KRWDZBQOSA-N 0 0 442.266 3.846 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768296 569580666 /nfs/dbraw/zinc/58/06/66/569580666.db2.gz PRPBCQBLKJPJPA-MRXNPFEDSA-N 0 0 428.496 3.946 50 0 IHAARN CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)nc2)n1 ZINC000071768354 569580716 /nfs/dbraw/zinc/58/07/16/569580716.db2.gz KKVRTTTYDLHKNN-UHFFFAOYSA-N 0 0 442.401 3.829 50 0 IHAARN CCCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@H](C)c4ccc(OC)cc4)c3)c2)n1 ZINC000071768482 569580743 /nfs/dbraw/zinc/58/07/43/569580743.db2.gz SGCQGMPJBKUBSS-OAHLLOKOSA-N 0 0 432.484 3.769 50 0 IHAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1OC ZINC000010336973 569581176 /nfs/dbraw/zinc/58/11/76/569581176.db2.gz XQLRUPDGLZVURF-DHIUTWEWSA-N 0 0 440.463 3.645 50 0 IHAARN Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc21 ZINC000010337392 569581252 /nfs/dbraw/zinc/58/12/52/569581252.db2.gz YICSLQAMEAUNHM-UHFFFAOYSA-N 0 0 433.530 3.783 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1 ZINC000010337546 569581332 /nfs/dbraw/zinc/58/13/32/569581332.db2.gz RUGQCVKUIJKMTG-UHFFFAOYSA-N 0 0 429.567 3.953 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000010386849 569581796 /nfs/dbraw/zinc/58/17/96/569581796.db2.gz JUPVTAUHOPCVID-UHFFFAOYSA-N 0 0 446.912 3.873 50 0 IHAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010408259 569581930 /nfs/dbraw/zinc/58/19/30/569581930.db2.gz ZUTOLFLPSCOLFU-KRWDZBQOSA-N 0 0 433.549 3.903 50 0 IHAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000010423579 569582049 /nfs/dbraw/zinc/58/20/49/569582049.db2.gz PIIPCMUQSOPXFW-UHFFFAOYSA-N 0 0 446.572 3.895 50 0 IHAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000071844356 569582382 /nfs/dbraw/zinc/58/23/82/569582382.db2.gz UHYJRFLURFRWGM-PKTZIBPZSA-N 0 0 442.581 3.506 50 0 IHAARN Cc1cc(C)n2nc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)nc2n1 ZINC000010483435 569582544 /nfs/dbraw/zinc/58/25/44/569582544.db2.gz AXOJYVUFSGHAJB-UHFFFAOYSA-N 0 0 437.507 3.583 50 0 IHAARN O=C(Nc1nccn1CC1CC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000058154548 569583904 /nfs/dbraw/zinc/58/39/04/569583904.db2.gz MEXRXCAEPKVNNI-UHFFFAOYSA-N 0 0 436.537 3.687 50 0 IHAARN COc1cc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000009014219 569584146 /nfs/dbraw/zinc/58/41/46/569584146.db2.gz PFKYUWHJOKLIHZ-UHFFFAOYSA-N 0 0 429.523 3.963 50 0 IHAARN CCOC(=O)c1sc(NC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)nc1C ZINC000010132030 569584355 /nfs/dbraw/zinc/58/43/55/569584355.db2.gz KOFOPMAGFQKXGN-UHFFFAOYSA-N 0 0 448.504 3.644 50 0 IHAARN O=C(c1cnc2ccccc2n1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077191061 569585913 /nfs/dbraw/zinc/58/59/13/569585913.db2.gz MDTCPMBMYVXDNW-UHFFFAOYSA-N 0 0 425.370 3.938 50 0 IHAARN COc1cc(COCC2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc(OC)c1 ZINC000077191429 569585995 /nfs/dbraw/zinc/58/59/95/569585995.db2.gz CDDBFMKPKURHPJ-UHFFFAOYSA-N 0 0 434.483 3.849 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)c1 ZINC000077199923 569586288 /nfs/dbraw/zinc/58/62/88/569586288.db2.gz HHASQLRUOCYPBC-UHFFFAOYSA-N 0 0 443.463 3.767 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200408 569586350 /nfs/dbraw/zinc/58/63/50/569586350.db2.gz UONXDFATPMSJPD-ROUUACIJSA-N 0 0 436.505 3.981 50 0 IHAARN COc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O ZINC000077200710 569586498 /nfs/dbraw/zinc/58/64/98/569586498.db2.gz IAJZDPRBDUZSBA-UHFFFAOYSA-N 0 0 428.432 3.783 50 0 IHAARN O=C1c2cc(NS(=O)(=O)Cc3cc(F)cc(F)c3)ccc2OCC[C@@H]2CCCCN12 ZINC000077200954 569586572 /nfs/dbraw/zinc/58/65/72/569586572.db2.gz DCTBBVMUSMMPPI-SFHVURJKSA-N 0 0 436.480 3.684 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)cc1 ZINC000033073656 569587320 /nfs/dbraw/zinc/58/73/20/569587320.db2.gz BAYVDEJVIABYMQ-UHFFFAOYSA-N 0 0 436.556 3.962 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119806 569587845 /nfs/dbraw/zinc/58/78/45/569587845.db2.gz AXPBCEMDYITPRM-NRFANRHFSA-N 0 0 444.597 3.692 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(C)=O ZINC000036117728 569587852 /nfs/dbraw/zinc/58/78/52/569587852.db2.gz KURPMXXQZLSDHA-APWZRJJASA-N 0 0 430.570 3.909 50 0 IHAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(C)=O ZINC000036117734 569587858 /nfs/dbraw/zinc/58/78/58/569587858.db2.gz KURPMXXQZLSDHA-QFBILLFUSA-N 0 0 430.570 3.909 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCc2ccco2)cc1 ZINC000036216666 569587871 /nfs/dbraw/zinc/58/78/71/569587871.db2.gz YICWOARYWMNLOS-PKTZIBPZSA-N 0 0 447.491 3.925 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(C)=O)CC2)C(=O)N1CCSCC1 ZINC000037604253 569588060 /nfs/dbraw/zinc/58/80/60/569588060.db2.gz VDMNHICZGWNRQF-BJKOFHAPSA-N 0 0 438.593 3.913 50 0 IHAARN Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3ccc(Cl)cc3)CC1)C1=NCCN1C=N2 ZINC000100696083 569588197 /nfs/dbraw/zinc/58/81/97/569588197.db2.gz YGWLDTFTXVWAHG-UHFFFAOYSA-N 0 0 439.947 3.619 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@H](C)C2 ZINC000002037016 291369936 /nfs/dbraw/zinc/36/99/36/291369936.db2.gz YEFOAORQXAOVJQ-OZAJXLCCSA-N 0 0 432.513 3.891 50 0 biogenic,in-vitro IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000000625130 193860527 /nfs/dbraw/zinc/86/05/27/193860527.db2.gz GUFFXHNMRWEKDZ-FQEVSTJZSA-N 0 0 430.501 3.769 50 0 IHAARN CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Cl)cc2)c1NCc1ccccc1 ZINC000000633566 193865004 /nfs/dbraw/zinc/86/50/04/193865004.db2.gz JKNBGXDVTOJVEU-UHFFFAOYSA-N 0 0 433.917 3.871 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)c(C)c3Br)n2)c1 ZINC000000653667 193873831 /nfs/dbraw/zinc/87/38/31/193873831.db2.gz CLXKIYUAKDUWEP-UHFFFAOYSA-N 0 0 437.319 3.884 50 0 IHAARN COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000009833930 193900355 /nfs/dbraw/zinc/90/03/55/193900355.db2.gz YJCSISXHVABBQG-SFHVURJKSA-N 0 0 429.538 3.959 50 0 IHAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O ZINC000009834895 193901361 /nfs/dbraw/zinc/90/13/61/193901361.db2.gz DZBPSJJMDCLNFL-UHFFFAOYSA-N 0 0 439.581 3.820 50 0 IHAARN COc1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1 ZINC000009847258 193905257 /nfs/dbraw/zinc/90/52/57/193905257.db2.gz GYSBXZKYLBALHT-UHFFFAOYSA-N 0 0 435.864 3.936 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000009855529 193908420 /nfs/dbraw/zinc/90/84/20/193908420.db2.gz NHWOEZJQHSBTPG-UHFFFAOYSA-N 0 0 444.418 3.739 50 0 IHAARN O=C(NCCCN1CCOCC1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000019774244 193918287 /nfs/dbraw/zinc/91/82/87/193918287.db2.gz JTRXWCLQFAZHGP-UHFFFAOYSA-N 0 0 441.535 3.515 50 0 in-vivo IHAARN CCCCn1c(CN2CCC(Oc3ccccc3OC)CC2)cnc1S(=O)(=O)CC ZINC000055036762 193932163 /nfs/dbraw/zinc/93/21/63/193932163.db2.gz MOQDQRUNMTUBBC-UHFFFAOYSA-N 0 0 435.590 3.529 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000096102408 132225653 /nfs/dbraw/zinc/22/56/53/132225653.db2.gz NUBBIKADXVICRB-FPLPWBNLSA-N 0 0 432.904 3.854 50 0 IHAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 ZINC000000623810 132227755 /nfs/dbraw/zinc/22/77/55/132227755.db2.gz LEHPHUZOYPVZPJ-UHFFFAOYSA-N 0 0 448.548 3.677 50 0 IHAARN O=C1C=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000000850775 132231699 /nfs/dbraw/zinc/23/16/99/132231699.db2.gz YQRLWFKUASGAGO-UHFFFAOYSA-N 0 0 435.833 3.938 50 0 IHAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 ZINC000009569470 132234818 /nfs/dbraw/zinc/23/48/18/132234818.db2.gz PBRQLEUOZWHZGJ-UHFFFAOYSA-N 0 0 429.325 3.723 50 0 IHAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Br ZINC000010186643 132243185 /nfs/dbraw/zinc/24/31/85/132243185.db2.gz WTIUOOFGOSGFOC-UHFFFAOYSA-N 0 0 439.313 3.995 50 0 IHAARN CS(=O)(=O)N1C[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)Oc2ccc(Cl)cc21 ZINC000001399749 132244996 /nfs/dbraw/zinc/24/49/96/132244996.db2.gz AJQUOHOURGGXJO-HNNXBMFYSA-N 0 0 426.281 3.943 50 0 IHAARN O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCCc2ccccc21 ZINC000002629869 132255496 /nfs/dbraw/zinc/25/54/96/132255496.db2.gz DPFODWFYMTUYGO-UHFFFAOYSA-N 0 0 439.471 3.522 50 0 IHAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000002720437 132256747 /nfs/dbraw/zinc/25/67/47/132256747.db2.gz AZRWYASXCVLODA-UHFFFAOYSA-N 0 0 444.944 3.743 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc(OC)c1OC ZINC000002720409 132256763 /nfs/dbraw/zinc/25/67/63/132256763.db2.gz NNXXHJKYGRVJMP-UHFFFAOYSA-N 0 0 441.509 3.834 50 0 IHAARN O=C(Nc1ccccc1N1CCOCC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000003370214 132264822 /nfs/dbraw/zinc/26/48/22/132264822.db2.gz XADUMGCAAGEVTC-UHFFFAOYSA-N 0 0 427.460 3.576 50 0 IHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccccc1 ZINC000003526011 132265732 /nfs/dbraw/zinc/26/57/32/132265732.db2.gz OOKXIQPBFBELRH-UHFFFAOYSA-N 0 0 435.501 3.868 50 0 IHAARN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000004121509 132270206 /nfs/dbraw/zinc/27/02/06/132270206.db2.gz RHBNGEVJSXQZCN-UHFFFAOYSA-N 0 0 436.537 3.618 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)CC1 ZINC000004747602 132273122 /nfs/dbraw/zinc/27/31/22/132273122.db2.gz ZXZRWOZBEAWKIL-CBNMVNINSA-N 0 0 429.605 3.701 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1OC ZINC000006162707 132276305 /nfs/dbraw/zinc/27/63/05/132276305.db2.gz XCMQGVNWOBMQCH-UHFFFAOYSA-N 0 0 435.480 3.512 50 0 IHAARN Cc1ccc(C)c(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000006804178 132279381 /nfs/dbraw/zinc/27/93/81/132279381.db2.gz SIZFHFYOXGTUOV-PKTZIBPZSA-N 0 0 427.614 3.715 50 0 IHAARN O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1cccc(Cl)c1 ZINC000008588102 132282946 /nfs/dbraw/zinc/28/29/46/132282946.db2.gz KESDYVWVCYNIBC-UHFFFAOYSA-N 0 0 434.930 3.585 50 0 IHAARN O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1ccccc1Cl ZINC000008588068 132283018 /nfs/dbraw/zinc/28/30/18/132283018.db2.gz SWKSNXFSQWKULU-UHFFFAOYSA-N 0 0 434.930 3.585 50 0 IHAARN CCc1ccccc1N(C)C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000008591430 132283976 /nfs/dbraw/zinc/28/39/76/132283976.db2.gz MOZJEHDFKOHWOQ-LJQANCHMSA-N 0 0 432.572 3.995 50 0 IHAARN CCn1c2cc(NC(=O)c3cccc(F)c3)c(N3CCCCC3)cc2n(CC)c(=O)c1=O ZINC000008594610 132284651 /nfs/dbraw/zinc/28/46/51/132284651.db2.gz ZQXJGQJEWOIHSB-UHFFFAOYSA-N 0 0 438.503 3.585 50 0 IHAARN C[C@@H](C(=O)Nc1cccc2ccccc21)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008708419 132291115 /nfs/dbraw/zinc/29/11/15/132291115.db2.gz GETGDXZMGOIFRW-IBGZPJMESA-N 0 0 446.551 3.574 50 0 IHAARN O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009127109 132305326 /nfs/dbraw/zinc/30/53/26/132305326.db2.gz UNIDWHJKAKOQNR-GOSISDBHSA-N 0 0 427.932 3.668 50 0 IHAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009152986 132306868 /nfs/dbraw/zinc/30/68/68/132306868.db2.gz MCSRKPZXYPONIA-AWEZNQCLSA-N 0 0 426.471 3.686 50 0 IHAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009204203 132308417 /nfs/dbraw/zinc/30/84/17/132308417.db2.gz DNVLUCHLBPXROZ-HNNXBMFYSA-N 0 0 445.504 3.993 50 0 IHAARN Cn1cccc1[C@H]1CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009207689 132308638 /nfs/dbraw/zinc/30/86/38/132308638.db2.gz HJIWEPOLSNBMTO-HXUWFJFHSA-N 0 0 436.478 3.656 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)cc1C ZINC000009210663 132308908 /nfs/dbraw/zinc/30/89/08/132308908.db2.gz KAPJZGGCHOUBGE-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000009308687 132313341 /nfs/dbraw/zinc/31/33/41/132313341.db2.gz KDZWAVDUEWJHKH-UHFFFAOYSA-N 0 0 445.523 3.887 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1 ZINC000009390545 132314737 /nfs/dbraw/zinc/31/47/37/132314737.db2.gz UELVMDXINLCNCI-UHFFFAOYSA-N 0 0 425.492 3.663 50 0 IHAARN CCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000009435569 132317530 /nfs/dbraw/zinc/31/75/30/132317530.db2.gz XSQYLJNZARLDOJ-UHFFFAOYSA-N 0 0 444.528 3.528 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009464695 132318397 /nfs/dbraw/zinc/31/83/97/132318397.db2.gz YDYGXRTYYAFKQJ-IBGZPJMESA-N 0 0 436.537 3.924 50 0 IHAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 ZINC000009495870 132319583 /nfs/dbraw/zinc/31/95/83/132319583.db2.gz DAOJCLZLMMOEAN-UHFFFAOYSA-N 0 0 428.510 3.693 50 0 IHAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C/c2ccccc2)c4=O)cc1 ZINC000009518947 132320251 /nfs/dbraw/zinc/32/02/51/132320251.db2.gz APGFAMVDWZFXNI-YRNVUSSQSA-N 0 0 441.535 3.714 50 0 IHAARN COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000009540497 132321119 /nfs/dbraw/zinc/32/11/19/132321119.db2.gz CORCRRVYNJKUQG-UHFFFAOYSA-N 0 0 436.533 3.870 50 0 IHAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 ZINC000009569471 132321984 /nfs/dbraw/zinc/32/19/84/132321984.db2.gz FCTUTESODBTJQW-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN Cc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1Cc1ccccc1 ZINC000009580092 132322222 /nfs/dbraw/zinc/32/22/22/132322222.db2.gz YACHPFIAKRQXAJ-HNNXBMFYSA-N 0 0 435.553 3.879 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009605491 132323335 /nfs/dbraw/zinc/32/33/35/132323335.db2.gz GRWBNOAVLATGNU-VWLOTQADSA-N 0 0 442.515 3.549 50 0 IHAARN CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000009681597 132325695 /nfs/dbraw/zinc/32/56/95/132325695.db2.gz VASZPRVIVAGRMM-UHFFFAOYSA-N 0 0 441.597 3.504 50 0 IHAARN COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1OC ZINC000009708837 132326724 /nfs/dbraw/zinc/32/67/24/132326724.db2.gz HKAPCZVMEWLYOJ-UHFFFAOYSA-N 0 0 442.907 3.866 50 0 IHAARN CCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nnc1C1CC1 ZINC000009836081 132329743 /nfs/dbraw/zinc/32/97/43/132329743.db2.gz GNABPRHUTRBDJX-UHFFFAOYSA-N 0 0 439.507 3.635 50 0 IHAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009870852 132330645 /nfs/dbraw/zinc/33/06/45/132330645.db2.gz CVGQEOCLEDPIHS-UHFFFAOYSA-N 0 0 447.535 3.531 50 0 IHAARN CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1N1CCOCC1 ZINC000009907800 132331297 /nfs/dbraw/zinc/33/12/97/132331297.db2.gz RIOFVUFIIMKPTG-UHFFFAOYSA-N 0 0 432.904 3.679 50 0 IHAARN CSc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010084497 132334586 /nfs/dbraw/zinc/33/45/86/132334586.db2.gz BZRWZHLJGAPKEZ-UHFFFAOYSA-N 0 0 436.463 3.720 50 0 IHAARN Cc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccccc3C)C2=O)cc1 ZINC000010273864 132335506 /nfs/dbraw/zinc/33/55/06/132335506.db2.gz SEOLUWHQJNGLMO-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN O=C(NCCc1cscn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000011661095 132338413 /nfs/dbraw/zinc/33/84/13/132338413.db2.gz HKJFBLRXQGXCRD-SFHVURJKSA-N 0 0 433.581 3.664 50 0 IHAARN Cc1cccc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)n1 ZINC000011697201 132338978 /nfs/dbraw/zinc/33/89/78/132338978.db2.gz FGCGQLSGTKCAAT-UHFFFAOYSA-N 0 0 426.883 3.679 50 0 IHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697652 132339138 /nfs/dbraw/zinc/33/91/38/132339138.db2.gz VNXSABHHFWOLCP-UHFFFAOYSA-N 0 0 428.418 3.596 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697693 132339271 /nfs/dbraw/zinc/33/92/71/132339271.db2.gz DWWKLUUJENHEQO-UHFFFAOYSA-N 0 0 427.871 3.762 50 0 IHAARN O=C(CSc1nnnn1Cc1ccco1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000011742484 132339381 /nfs/dbraw/zinc/33/93/81/132339381.db2.gz JFBYRIGFUXWTQD-LJQANCHMSA-N 0 0 433.493 3.573 50 0 IHAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1I ZINC000012949692 132340931 /nfs/dbraw/zinc/34/09/31/132340931.db2.gz DMDPKRQQWBAZTR-UHFFFAOYSA-N 0 0 438.290 3.759 50 0 IHAARN CC(C)[C@@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc2c(c1)OCCO2 ZINC000013006112 132341782 /nfs/dbraw/zinc/34/17/82/132341782.db2.gz YQCHRFSHGJHXLE-OAQYLSRUSA-N 0 0 430.936 3.631 50 0 IHAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)c(C)c1C ZINC000013008993 132342116 /nfs/dbraw/zinc/34/21/16/132342116.db2.gz SMDPTDHKFANFAK-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)nc1 ZINC000013013775 132342434 /nfs/dbraw/zinc/34/24/34/132342434.db2.gz OJXPEPKSMQQZCQ-UHFFFAOYSA-N 0 0 438.553 3.713 50 0 IHAARN O=C(CCN1C(=O)COc2ccccc21)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000013011844 132342458 /nfs/dbraw/zinc/34/24/58/132342458.db2.gz RQGDHPNYCZTRJG-UHFFFAOYSA-N 0 0 445.306 3.992 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1c2ccccc2CC[C@@H]1C ZINC000013037923 132342864 /nfs/dbraw/zinc/34/28/64/132342864.db2.gz NIBWBEABZXKXPB-AWEZNQCLSA-N 0 0 443.569 3.715 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000013073482 132344077 /nfs/dbraw/zinc/34/40/77/132344077.db2.gz IFLYROVHYVMMIN-HXUWFJFHSA-N 0 0 431.989 3.540 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CC(=O)Nc5ccccc54)c(=O)c23)cc1C ZINC000013114831 132344917 /nfs/dbraw/zinc/34/49/17/132344917.db2.gz QXXVRVORNLWNPA-UHFFFAOYSA-N 0 0 444.516 3.727 50 0 IHAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000013164945 132346197 /nfs/dbraw/zinc/34/61/97/132346197.db2.gz CHSJNKSNXIRODE-OAHLLOKOSA-N 0 0 433.537 3.670 50 0 IHAARN Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013571210 132350747 /nfs/dbraw/zinc/35/07/47/132350747.db2.gz ZUOXOLHJQQTKEG-NRFANRHFSA-N 0 0 428.492 3.713 50 0 IHAARN CCCNC(=O)CN1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000014190392 132356611 /nfs/dbraw/zinc/35/66/11/132356611.db2.gz CWSIBEXYCRLIKU-UHFFFAOYSA-N 0 0 441.626 3.557 50 0 IHAARN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)c2cc[n+]([O-])cc2)C3)s1 ZINC000012135042 518295561 /nfs/dbraw/zinc/29/55/61/518295561.db2.gz QPRDEHOAKQAPAH-INIZCTEOSA-N 0 0 428.897 3.638 50 0 IHAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3ccc4ccc(-c5nnc(C)o5)cc43)CC2)cc1 ZINC000035461979 518348505 /nfs/dbraw/zinc/34/85/05/518348505.db2.gz PTEHSDNKHILKFS-UHFFFAOYSA-N 0 0 443.507 3.551 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017062389 518401189 /nfs/dbraw/zinc/40/11/89/518401189.db2.gz FVASMRJRVFUNAZ-UHFFFAOYSA-N 0 0 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ZINC000035908267 519472594 /nfs/dbraw/zinc/47/25/94/519472594.db2.gz IWCFAWMBLORAPZ-UHFFFAOYSA-N 0 0 440.551 3.711 50 0 IHAARN CC(C)Cn1c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2c2ccsc2c1=O ZINC000035531829 519490478 /nfs/dbraw/zinc/49/04/78/519490478.db2.gz OEWPFYWZDMCBHC-UHFFFAOYSA-N 0 0 449.508 3.771 50 0 IHAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc1 ZINC000016204829 519523798 /nfs/dbraw/zinc/52/37/98/519523798.db2.gz FJDQSNAWRONKCB-UHFFFAOYSA-N 0 0 442.475 3.526 50 0 IHAARN CC(C)CCn1c2nnc(SCC(=O)N3CCCC[C@@H]3C)n2c2ccsc2c1=O ZINC000035531709 519701036 /nfs/dbraw/zinc/70/10/36/519701036.db2.gz FNJZJMZZBMDHTR-AWEZNQCLSA-N 0 0 433.603 3.645 50 0 IHAARN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012382616 519718060 /nfs/dbraw/zinc/71/80/60/519718060.db2.gz WHWLINNNHCGFDS-UHFFFAOYSA-N 0 0 427.932 3.969 50 0 IHAARN CC(C)CN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012781869 519719104 /nfs/dbraw/zinc/71/91/04/519719104.db2.gz YDCUKHOKWBYNKP-HNNXBMFYSA-N 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50 0 IHAARN CCOc1ccc(Br)cc1S(=O)(=O)N(CCOC)Cc1cccs1 ZINC000022197358 520863972 /nfs/dbraw/zinc/86/39/72/520863972.db2.gz GTMCAWDTYMRXFR-UHFFFAOYSA-N 0 0 434.377 3.747 50 0 IHAARN CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012307285 520897336 /nfs/dbraw/zinc/89/73/36/520897336.db2.gz IILBTIOOTFBFJN-ZDUSSCGKSA-N 0 0 433.917 3.510 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)c2cccnc2SCc2c(C)noc2C)n1 ZINC000021031099 520912335 /nfs/dbraw/zinc/91/23/35/520912335.db2.gz PGMNRPAZNWYVRA-UHFFFAOYSA-N 0 0 432.527 3.793 50 0 IHAARN CCOC(=O)N1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000035808604 520952538 /nfs/dbraw/zinc/95/25/38/520952538.db2.gz HLPMOKCWTFLGCX-UHFFFAOYSA-N 0 0 438.553 3.984 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1OCC ZINC000035482296 520952953 /nfs/dbraw/zinc/95/29/53/520952953.db2.gz NOMZASXDMYHRDW-UHFFFAOYSA-N 0 0 431.496 3.585 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OCC ZINC000020688395 520953311 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CCOc1ccc(OCC)c(NC(=O)CSc2nccnc2N2CCSCC2)c1 ZINC000021656932 521167075 /nfs/dbraw/zinc/16/70/75/521167075.db2.gz WTVBLJGGDHURMM-UHFFFAOYSA-N 0 0 434.587 3.558 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 ZINC000012385773 521180765 /nfs/dbraw/zinc/18/07/65/521180765.db2.gz CEVSOQXDGRKTJD-XMMPIXPASA-N 0 0 445.462 3.780 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000012711663 521182954 /nfs/dbraw/zinc/18/29/54/521182954.db2.gz YQYMNUYLDKOXKZ-XMMPIXPASA-N 0 0 427.472 3.625 50 0 IHAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005861 521206849 /nfs/dbraw/zinc/20/68/49/521206849.db2.gz QBWYLJQMBCZHAJ-UHFFFAOYSA-N 0 0 442.604 3.746 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(C)cc1)[C@@H](C(=O)N1CCCCC1)C2 ZINC000065167029 521218826 /nfs/dbraw/zinc/21/88/26/521218826.db2.gz DJBBIVNAYJDJAA-HSZRJFAPSA-N 0 0 433.552 3.923 50 0 IHAARN CCOC(=O)[C@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000012900343 521229240 /nfs/dbraw/zinc/22/92/40/521229240.db2.gz LBUGNBJBMLKAGH-GOSISDBHSA-N 0 0 440.448 3.739 50 0 biogenic IHAARN CCC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2s1 ZINC000021883045 521230012 /nfs/dbraw/zinc/23/00/12/521230012.db2.gz BANAJBQDBGBKBL-UHFFFAOYSA-N 0 0 444.900 3.662 50 0 IHAARN CCC(=O)Nc1nc2ccc(NC(=O)[C@H](CC)N3C(=O)COc4ccccc43)cc2s1 ZINC000021533787 521230059 /nfs/dbraw/zinc/23/00/59/521230059.db2.gz VTNDPZNRACVGPH-HNNXBMFYSA-N 0 0 438.509 3.788 50 0 IHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)s1 ZINC000016047759 521232673 /nfs/dbraw/zinc/23/26/73/521232673.db2.gz NRJGMIUZHGVSNX-UHFFFAOYSA-N 0 0 445.522 3.968 50 0 IHAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000023174841 521275960 /nfs/dbraw/zinc/27/59/60/521275960.db2.gz MDQDYOZQYURWBQ-NRFANRHFSA-N 0 0 430.932 3.801 50 0 IHAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCOCC3)c2c1 ZINC000022573861 521307600 /nfs/dbraw/zinc/30/76/00/521307600.db2.gz VQFVAQCUSSJJDO-UHFFFAOYSA-N 0 0 426.538 3.920 50 0 IHAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000018346894 521325652 /nfs/dbraw/zinc/32/56/52/521325652.db2.gz RUZCAYYZXPYKRJ-UHFFFAOYSA-N 0 0 432.826 3.586 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)c1C ZINC000021153799 521362885 /nfs/dbraw/zinc/36/28/85/521362885.db2.gz CNNCTBSXFFMTBW-UHFFFAOYSA-N 0 0 431.577 3.890 50 0 IHAARN CCCCn1c2nc(CSc3nc(C)c(C)n3C3CCCC3)n(CC)c2c(=O)[nH]c1=O ZINC000012540598 521376613 /nfs/dbraw/zinc/37/66/13/521376613.db2.gz ADBJZNWMZJPWAM-UHFFFAOYSA-N 0 0 444.605 3.927 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2cccnc2)C(=O)c2cccs2)c(C)n1C ZINC000036000250 521386176 /nfs/dbraw/zinc/38/61/76/521386176.db2.gz BEYKOQUHRFFKNE-UHFFFAOYSA-N 0 0 439.537 3.800 50 0 IHAARN CCOC(=O)c1c(NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)sc2c1CCCC2 ZINC000012618056 521407189 /nfs/dbraw/zinc/40/71/89/521407189.db2.gz CVAMTWVMCCIUCB-UHFFFAOYSA-N 0 0 433.551 3.749 50 0 IHAARN CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000036007367 521409382 /nfs/dbraw/zinc/40/93/82/521409382.db2.gz YYBNCSUUEDHUJF-UHFFFAOYSA-N 0 0 445.560 3.703 50 0 IHAARN CCN(Cc1ccncc1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000012056894 521415264 /nfs/dbraw/zinc/41/52/64/521415264.db2.gz AIGDPOWUBMKAHP-AREMUKBSSA-N 0 0 433.552 3.768 50 0 IHAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ccc1N1CCCCC1 ZINC000001032614 521443630 /nfs/dbraw/zinc/44/36/30/521443630.db2.gz UBZWDMLWGDTANE-UHFFFAOYSA-N 0 0 430.526 3.589 50 0 IHAARN CCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000021739239 521458285 /nfs/dbraw/zinc/45/82/85/521458285.db2.gz SQUVCEMNHGETJM-SJORKVTESA-N 0 0 426.513 3.899 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012813878 521492700 /nfs/dbraw/zinc/49/27/00/521492700.db2.gz ZKIUNIVFOIDNCQ-UHFFFAOYSA-N 0 0 425.510 3.611 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CNCc2ccco2)ccc1Cl ZINC000012566802 521496988 /nfs/dbraw/zinc/49/69/88/521496988.db2.gz XCZXOBDXXOWYCW-UHFFFAOYSA-N 0 0 447.944 3.877 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(NC3CC3)s2)nc1 ZINC000012537728 521500666 /nfs/dbraw/zinc/50/06/66/521500666.db2.gz JXOQMGSCZHMGIH-UHFFFAOYSA-N 0 0 433.584 3.874 50 0 IHAARN CCOC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000021443268 521522571 /nfs/dbraw/zinc/52/25/71/521522571.db2.gz INTXVOSNSGAHGC-KRWDZBQOSA-N 0 0 436.386 3.548 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 ZINC000020759482 521530654 /nfs/dbraw/zinc/53/06/54/521530654.db2.gz HYJTVQFQPJVRGS-UHFFFAOYSA-N 0 0 448.552 3.974 50 0 IHAARN CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000009659289 521532344 /nfs/dbraw/zinc/53/23/44/521532344.db2.gz BAJAEEKLVAESSK-UHFFFAOYSA-N 0 0 425.466 3.704 50 0 IHAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000035925393 521541103 /nfs/dbraw/zinc/54/11/03/521541103.db2.gz MUWPPFQNXZLFIP-UHFFFAOYSA-N 0 0 440.551 3.659 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCn1c(=O)oc2ccccc21 ZINC000036719163 521552118 /nfs/dbraw/zinc/55/21/18/521552118.db2.gz HBYIXBLIHXQAEZ-UHFFFAOYSA-N 0 0 449.429 3.669 50 0 IHAARN CCOc1ccccc1OCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022356009 521557595 /nfs/dbraw/zinc/55/75/95/521557595.db2.gz HQXBHBSCLKQMOX-UHFFFAOYSA-N 0 0 437.565 3.932 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1NC(=O)C1CCCCC1 ZINC000016275920 521601145 /nfs/dbraw/zinc/60/11/45/521601145.db2.gz HXUVTPILPBYMCS-UHFFFAOYSA-N 0 0 443.500 3.753 50 0 IHAARN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1nnc2ccccc2c1=O ZINC000024505190 521608348 /nfs/dbraw/zinc/60/83/48/521608348.db2.gz VMVXTNGFWXVTFT-UHFFFAOYSA-N 0 0 428.242 3.525 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1C ZINC000012864803 521613502 /nfs/dbraw/zinc/61/35/02/521613502.db2.gz RHWMBILLADASEJ-UHFFFAOYSA-N 0 0 444.553 3.775 50 0 IHAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)c3cccs3)CC1)sc1c2CCCC1 ZINC000012409567 521615944 /nfs/dbraw/zinc/61/59/44/521615944.db2.gz LVCWKSKODFRTKM-UHFFFAOYSA-N 0 0 442.610 3.771 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012564406 521668446 /nfs/dbraw/zinc/66/84/46/521668446.db2.gz TWCGKSZNFSIXCK-HSZRJFAPSA-N 0 0 441.597 3.782 50 0 IHAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccc(CC)cc1 ZINC000012883982 521693995 /nfs/dbraw/zinc/69/39/95/521693995.db2.gz JVEMXVMIDQKCAX-SFHVURJKSA-N 0 0 429.948 3.791 50 0 IHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928156 521703156 /nfs/dbraw/zinc/70/31/56/521703156.db2.gz IUXCDPYDSFCONU-YADHBBJMSA-N 0 0 440.540 3.928 50 0 IHAARN CCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021856655 521703285 /nfs/dbraw/zinc/70/32/85/521703285.db2.gz UHVYQDQHPFWVPK-XOVJRCOKSA-N 0 0 441.572 3.978 50 0 IHAARN CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3OC)C[C@H]12 ZINC000035871602 521744888 /nfs/dbraw/zinc/74/48/88/521744888.db2.gz VTOUSPFBLDDELW-YLJYHZDGSA-N 0 0 433.474 3.718 50 0 IHAARN COC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)C(=O)c2cccc(OC)c2)c(C)n1C ZINC000036006331 521751253 /nfs/dbraw/zinc/75/12/53/521751253.db2.gz CXSZCTDMWBOZGW-UHFFFAOYSA-N 0 0 438.480 3.555 50 0 IHAARN COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC ZINC000020615343 521794879 /nfs/dbraw/zinc/79/48/79/521794879.db2.gz ZQRLMWSXKGLDSZ-UHFFFAOYSA-N 0 0 425.491 3.967 50 0 IHAARN COC(=O)c1cc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1OC ZINC000012547704 521849855 /nfs/dbraw/zinc/84/98/55/521849855.db2.gz RIDINJPPRNZBRF-UHFFFAOYSA-N 0 0 443.503 3.739 50 0 IHAARN CCc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12 ZINC000020604305 521857904 /nfs/dbraw/zinc/85/79/04/521857904.db2.gz YKDXJKTWOVBNRG-UHFFFAOYSA-N 0 0 433.537 3.626 50 0 IHAARN COc1c2c(cc([C@H]3CC(=O)Nc4c3ncn4-c3cccc(Cl)c3)c1OC)OCO2 ZINC000035324423 521884642 /nfs/dbraw/zinc/88/46/42/521884642.db2.gz LMKBZHRNLRTSBZ-CYBMUJFWSA-N 0 0 427.844 3.746 50 0 IHAARN COc1cc(-c2nc(C)c(C(=O)N[C@H](CO)c3ccccc3)s2)cc(OC)c1OC ZINC000012408113 521900581 /nfs/dbraw/zinc/90/05/81/521900581.db2.gz BEHSSYRENCDAKD-MRXNPFEDSA-N 0 0 428.510 3.608 50 0 IHAARN CC[C@@H](C)C(=O)C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012459317 521901395 /nfs/dbraw/zinc/90/13/95/521901395.db2.gz BMKPAHDBCBRAQW-OAHLLOKOSA-N 0 0 434.964 3.997 50 0 IHAARN COc1cc(-c2noc(CNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC000035845169 521917937 /nfs/dbraw/zinc/91/79/37/521917937.db2.gz DDMKEXRBBZIZNH-UHFFFAOYSA-N 0 0 437.374 3.711 50 0 IHAARN CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N(C)[C@H](C)c2cccs2)c1=O ZINC000012217466 521926011 /nfs/dbraw/zinc/92/60/11/521926011.db2.gz DGHNSFCTQATFPC-QGZVFWFLSA-N 0 0 437.565 3.735 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000016913813 521981622 /nfs/dbraw/zinc/98/16/22/521981622.db2.gz VEWDAKGKYWPALZ-UHFFFAOYSA-N 0 0 444.563 3.922 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036026615 521987782 /nfs/dbraw/zinc/98/77/82/521987782.db2.gz LMJYTIOXZYCGTN-YKSBVNFPSA-N 0 0 449.595 3.717 50 0 IHAARN CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(C(=O)c1cccs1)CC2 ZINC000036026577 521988567 /nfs/dbraw/zinc/98/85/67/521988567.db2.gz VCGBHBVGUQPSAT-UYAOXDASSA-N 0 0 425.598 3.770 50 0 IHAARN COCCn1c(CN2CCCC[C@@H]2c2nccs2)cnc1S(=O)(=O)CC(C)(C)C ZINC000012306324 522066647 /nfs/dbraw/zinc/06/66/47/522066647.db2.gz JSTPLPPTIKYDRR-QGZVFWFLSA-N 0 0 440.635 3.533 50 0 IHAARN COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC ZINC000001078173 522083528 /nfs/dbraw/zinc/08/35/28/522083528.db2.gz ILTWUUDBGOJLLX-UHFFFAOYSA-N 0 0 425.312 3.982 50 0 IHAARN COC(=O)c1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000021156662 522113339 /nfs/dbraw/zinc/11/33/39/522113339.db2.gz RPVPHYGZJYJPMI-UHFFFAOYSA-N 0 0 444.447 3.704 50 0 IHAARN COc1cc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000012342357 522119239 /nfs/dbraw/zinc/11/92/39/522119239.db2.gz VROFBBMKUZBPKP-HXUWFJFHSA-N 0 0 436.508 3.835 50 0 IHAARN COC(=O)c1ccc(OC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000022394352 522138498 /nfs/dbraw/zinc/13/84/98/522138498.db2.gz OGMMGKCUUPACEC-UHFFFAOYSA-N 0 0 425.510 3.917 50 0 IHAARN COc1cc(C(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)ccc1C ZINC000012740570 522164467 /nfs/dbraw/zinc/16/44/67/522164467.db2.gz WIPNKEHESVLWTE-UHFFFAOYSA-N 0 0 431.539 3.775 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(C)cc3)S2(=O)=O)cc1 ZINC000021913159 522214815 /nfs/dbraw/zinc/21/48/15/522214815.db2.gz QWEZCOLGUDPABU-MRXNPFEDSA-N 0 0 426.538 3.627 50 0 IHAARN CC[C@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020463714 522229257 /nfs/dbraw/zinc/22/92/57/522229257.db2.gz CBMUGDFCONDZCK-CYBMUJFWSA-N 0 0 427.574 3.874 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc(C)c1C ZINC000012396775 522265355 /nfs/dbraw/zinc/26/53/55/522265355.db2.gz KJWQKSZWYAHOHZ-UHFFFAOYSA-N 0 0 449.623 3.677 50 0 IHAARN COc1cc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc2c1OCO2 ZINC000022077949 522357968 /nfs/dbraw/zinc/35/79/68/522357968.db2.gz ZZAOGCFCKJFTGB-QHCPKHFHSA-N 0 0 443.507 3.929 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000020721352 522375933 /nfs/dbraw/zinc/37/59/33/522375933.db2.gz JLTFFELJKDPHEW-VOZBZGINSA-N 0 0 439.343 3.961 50 0 IHAARN COc1cc(CNC(=O)c2sc(-n3cccc3)nc2C(F)(F)F)cc(OC)c1OC ZINC000020946435 522440075 /nfs/dbraw/zinc/44/00/75/522440075.db2.gz VFICIWPKVRYZQP-UHFFFAOYSA-N 0 0 441.431 3.908 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000021914591 522503981 /nfs/dbraw/zinc/50/39/81/522503981.db2.gz DOPHQFTWPZPINK-HNNXBMFYSA-N 0 0 440.352 3.757 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C ZINC000012903799 522517873 /nfs/dbraw/zinc/51/78/73/522517873.db2.gz GIQAKXVNNPQGID-HSZRJFAPSA-N 0 0 441.915 3.983 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012770482 522521332 /nfs/dbraw/zinc/52/13/32/522521332.db2.gz SGQNJXLDNBQAGJ-UHFFFAOYSA-N 0 0 426.879 3.864 50 0 IHAARN CN(CC(=O)Nc1nc2ccc(Cl)cc2s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016004664 522523929 /nfs/dbraw/zinc/52/39/29/522523929.db2.gz WWTCAFFZVLVPOE-UHFFFAOYSA-N 0 0 430.338 3.862 50 0 IHAARN COC(CNC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O)OC ZINC000020237584 522533027 /nfs/dbraw/zinc/53/30/27/522533027.db2.gz LCSCJLOIGNEEFL-VGOFRKELSA-N 0 0 442.581 3.682 50 0 IHAARN COC(CNC(=O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1)OC ZINC000020757751 522538095 /nfs/dbraw/zinc/53/80/95/522538095.db2.gz FMXSXVCEOXASSN-UHFFFAOYSA-N 0 0 431.492 3.953 50 0 IHAARN CCc1nn2c(nc(CNc3ccc(C(=O)Nc4ccc(OC)cc4)cc3)cc2=O)s1 ZINC000021698360 522707245 /nfs/dbraw/zinc/70/72/45/522707245.db2.gz FABZQNXUUWQBBL-UHFFFAOYSA-N 0 0 435.509 3.586 50 0 IHAARN CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc(OC)c5)CC4)c3c2)o1 ZINC000035462200 522718987 /nfs/dbraw/zinc/71/89/87/522718987.db2.gz ZPBSYUGKRBAMQX-UHFFFAOYSA-N 0 0 445.523 3.611 50 0 IHAARN COc1cc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc(OC)c1OC ZINC000021703234 522722429 /nfs/dbraw/zinc/72/24/29/522722429.db2.gz ASMPKHWFGZBCFB-UHFFFAOYSA-N 0 0 431.448 3.664 50 0 IHAARN COc1cc(OC)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012914851 522801488 /nfs/dbraw/zinc/80/14/88/522801488.db2.gz UZEBAXHHNUFCKH-HNNXBMFYSA-N 0 0 431.920 3.646 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1F ZINC000012823115 522869608 /nfs/dbraw/zinc/86/96/08/522869608.db2.gz NADLMXAYEGHCPY-LJQANCHMSA-N 0 0 432.448 3.619 50 0 IHAARN COC(=O)CCCC(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000012706466 522952516 /nfs/dbraw/zinc/95/25/16/522952516.db2.gz NHWZMTRVNRZERR-UHFFFAOYSA-N 0 0 442.600 3.830 50 0 IHAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000015084817 522961093 /nfs/dbraw/zinc/96/10/93/522961093.db2.gz KDUVBTBJCFVZMD-CQSZACIVSA-N 0 0 433.468 3.557 50 0 IHAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc(OC)c1O ZINC000020892747 522967805 /nfs/dbraw/zinc/96/78/05/522967805.db2.gz OSUBYXNRRFVHBN-HXUWFJFHSA-N 0 0 429.473 3.817 50 0 IHAARN COc1cc2c(cc(C(=O)NCCC(=O)Nc3ccc(OC)c(Cl)c3)n2C)c(OC)c1 ZINC000012325160 522994895 /nfs/dbraw/zinc/99/48/95/522994895.db2.gz LSINTYWXXSWBJU-UHFFFAOYSA-N 0 0 445.903 3.616 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 ZINC000012898924 523025913 /nfs/dbraw/zinc/02/59/13/523025913.db2.gz FJRXNDFIUMYNCH-UHFFFAOYSA-N 0 0 437.492 3.650 50 0 biogenic IHAARN COc1cc2ncn(CC(=O)Nc3ccc(OCc4ccccc4)cc3)c(=O)c2cc1OC ZINC000020733610 523069307 /nfs/dbraw/zinc/06/93/07/523069307.db2.gz RVKKVCYUDBMTQS-UHFFFAOYSA-N 0 0 445.475 3.631 50 0 IHAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000012821807 523108702 /nfs/dbraw/zinc/10/87/02/523108702.db2.gz DJRSZWBGFWXQRA-UHFFFAOYSA-N 0 0 439.946 3.879 50 0 IHAARN COc1ccc(-c2cc(NC(=O)c3nc4nccc(C)n4n3)ccc2OC(F)F)cc1 ZINC000021797402 523114690 /nfs/dbraw/zinc/11/46/90/523114690.db2.gz HGHQRPYFNHQYPT-UHFFFAOYSA-N 0 0 425.395 3.962 50 0 IHAARN COc1ccc(-c2cc([C@H]3CCCCCN3S(=O)(=O)N3CCCC3)no2)cc1OC ZINC000012187877 523115228 /nfs/dbraw/zinc/11/52/28/523115228.db2.gz GPSPBICCCVTNEJ-GOSISDBHSA-N 0 0 435.546 3.617 50 0 IHAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000057291673 523171046 /nfs/dbraw/zinc/17/10/46/523171046.db2.gz VGCVLBDLPUWXKM-UHFFFAOYSA-N 0 0 448.552 3.625 50 0 IHAARN COc1ccc(-c2nc(CC(=O)NCCCn3cnc4ccccc43)cs2)cc1OC ZINC000012489876 523195184 /nfs/dbraw/zinc/19/51/84/523195184.db2.gz AGEBGULESXSVIM-UHFFFAOYSA-N 0 0 436.537 3.926 50 0 IHAARN CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccc(OC(F)F)c1 ZINC000021925524 523200268 /nfs/dbraw/zinc/20/02/68/523200268.db2.gz HMHDSNLNOGLUKH-UHFFFAOYSA-N 0 0 433.274 3.500 50 0 IHAARN COC(=O)CN[C@H](c1ccccc1Cl)c1cc(Br)ccc1NC(C)=O ZINC000036006868 523209608 /nfs/dbraw/zinc/20/96/08/523209608.db2.gz ISLTWVRVYWADPP-GOSISDBHSA-N 0 0 425.710 3.913 50 0 IHAARN COc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)no2)cc1 ZINC000012522102 523214326 /nfs/dbraw/zinc/21/43/26/523214326.db2.gz HUPVIZYTPARPJO-UHFFFAOYSA-N 0 0 446.554 3.607 50 0 IHAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(C)c(C)c4)n3n2)cc1 ZINC000017053107 523237889 /nfs/dbraw/zinc/23/78/89/523237889.db2.gz YNJAHRQVLXZWCA-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccc(F)c(F)c3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641165 523254587 /nfs/dbraw/zinc/25/45/87/523254587.db2.gz LTLVENXTDZOVGJ-UHFFFAOYSA-N 0 0 437.450 3.760 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)c(OC)c1 ZINC000021576032 523260155 /nfs/dbraw/zinc/26/01/55/523260155.db2.gz RIGBMJPFJDUVFT-UHFFFAOYSA-N 0 0 427.530 3.530 50 0 IHAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C)no3)n2C[C@H]2CCCO2)cc1 ZINC000021906436 523263980 /nfs/dbraw/zinc/26/39/80/523263980.db2.gz XDYLONCCBVTRCS-WMLDXEAASA-N 0 0 443.529 3.548 50 0 IHAARN COc1ccc(-c2nnc3sc(NC(=O)[C@@H](C)Oc4cccc(C)c4)nn32)cc1OC ZINC000041108749 523269494 /nfs/dbraw/zinc/26/94/94/523269494.db2.gz WVSAWRJFZRHGMC-CYBMUJFWSA-N 0 0 439.497 3.584 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)c3cccc(Br)c3)n2)cc1OC ZINC000012654464 523284742 /nfs/dbraw/zinc/28/47/42/523284742.db2.gz ZAUWXADNZSUXKE-UHFFFAOYSA-N 0 0 432.274 3.789 50 0 IHAARN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc4ccccc4c3)n2)cc1OC ZINC000012654585 523285115 /nfs/dbraw/zinc/28/51/15/523285115.db2.gz YSAMFQBLDXOQOU-UHFFFAOYSA-N 0 0 433.464 3.944 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC ZINC000012654678 523289774 /nfs/dbraw/zinc/28/97/74/523289774.db2.gz ODRCCJZOAOIKFO-ZDUSSCGKSA-N 0 0 431.876 3.799 50 0 IHAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(C3CC3)on2)CC1)c1ccccc1 ZINC000011844361 523335261 /nfs/dbraw/zinc/33/52/61/523335261.db2.gz VOMOTTBDZZTLAR-JOCHJYFZSA-N 0 0 449.511 3.552 50 0 IHAARN COCCCNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000021094006 523366263 /nfs/dbraw/zinc/36/62/63/523366263.db2.gz JSXZCVYJKDGCQE-UHFFFAOYSA-N 0 0 448.567 3.739 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012799931 523506608 /nfs/dbraw/zinc/50/66/08/523506608.db2.gz IXBNWROSAJMYRP-UHFFFAOYSA-N 0 0 427.508 3.581 50 0 IHAARN CC[C@@H]1CO[C@@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C ZINC000012419170 523510411 /nfs/dbraw/zinc/51/04/11/523510411.db2.gz KWTCLVGDXDUYKP-KOSHJBKYSA-N 0 0 445.519 3.785 50 0 IHAARN COCCN(C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC)C(C)C ZINC000014971090 523558335 /nfs/dbraw/zinc/55/83/35/523558335.db2.gz QFGDNHAUNHTTKW-UHFFFAOYSA-N 0 0 443.573 3.651 50 0 IHAARN COC(=O)[C@@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2c(C)c(OC)ccc12 ZINC000012898864 523561958 /nfs/dbraw/zinc/56/19/58/523561958.db2.gz COHASGAPJGYRNE-KRWDZBQOSA-N 0 0 440.448 3.657 50 0 biogenic IHAARN CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000015074719 523565936 /nfs/dbraw/zinc/56/59/36/523565936.db2.gz SXVIGJDMGATOSS-KRWDZBQOSA-N 0 0 425.916 3.921 50 0 IHAARN CCn1cnc2cc(-c3noc([C@H](NS(=O)(=O)c4ccccc4)C(C)C)n3)ccc21 ZINC000035453374 523573776 /nfs/dbraw/zinc/57/37/76/523573776.db2.gz VBBFYWZVUAIFGE-LJQANCHMSA-N 0 0 425.514 3.782 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)CC2)cc1 ZINC000012739553 523574550 /nfs/dbraw/zinc/57/45/50/523574550.db2.gz ZHNKOFQODCODQB-OAQYLSRUSA-N 0 0 434.536 3.786 50 0 IHAARN COc1ccc(C(=O)Cn2c3ccccc3c3nc(-c4ccccc4)nn3c2=O)cc1OC ZINC000035510880 523596350 /nfs/dbraw/zinc/59/63/50/523596350.db2.gz QIFLGWQSKCQPJI-UHFFFAOYSA-N 0 0 440.459 3.611 50 0 IHAARN COc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(s2)c(C)ccc3OC)cc1 ZINC000020743881 523612722 /nfs/dbraw/zinc/61/27/22/523612722.db2.gz PEHGFMVOTGWCKE-UHFFFAOYSA-N 0 0 441.553 3.601 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)C1CC1 ZINC000035948238 523652642 /nfs/dbraw/zinc/65/26/42/523652642.db2.gz ULTALURULWYLIV-LJQANCHMSA-N 0 0 445.972 3.964 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035948300 523653243 /nfs/dbraw/zinc/65/32/43/523653243.db2.gz ZHWBTQXQYYZULG-LJQANCHMSA-N 0 0 445.972 3.964 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035948299 523654380 /nfs/dbraw/zinc/65/43/80/523654380.db2.gz ZHWBTQXQYYZULG-IBGZPJMESA-N 0 0 445.972 3.964 50 0 IHAARN CN(c1nc2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O)C1CCCCC1 ZINC000012727754 523666252 /nfs/dbraw/zinc/66/62/52/523666252.db2.gz ADGHAAVKFKGTFQ-UHFFFAOYSA-N 0 0 448.523 3.575 50 0 IHAARN CCc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012413153 523675308 /nfs/dbraw/zinc/67/53/08/523675308.db2.gz QPVOCLKPYVUKLH-UHFFFAOYSA-N 0 0 433.899 3.558 50 0 IHAARN COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000012660168 523690038 /nfs/dbraw/zinc/69/00/38/523690038.db2.gz AGEVUKUKWWOHDN-UHFFFAOYSA-N 0 0 439.508 3.907 50 0 IHAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000012813485 523698708 /nfs/dbraw/zinc/69/87/08/523698708.db2.gz TZAVBSNBXJKZCF-UHFFFAOYSA-N 0 0 426.523 3.836 50 0 IHAARN CCc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)on1 ZINC000012593544 523753420 /nfs/dbraw/zinc/75/34/20/523753420.db2.gz YAYOBKUZONFFJR-QGZVFWFLSA-N 0 0 425.514 3.697 50 0 IHAARN COc1ccc(C(=O)Oc2ccc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)cc2Cl)cc1 ZINC000020895848 523774393 /nfs/dbraw/zinc/77/43/93/523774393.db2.gz ZOZBQOCWBRGKFE-SFHVURJKSA-N 0 0 447.900 3.569 50 0 IHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579645 523782229 /nfs/dbraw/zinc/78/22/29/523782229.db2.gz UGUHUEGNNVZKCU-UHFFFAOYSA-N 0 0 441.487 3.892 50 0 IHAARN COC(=O)[C@@H]1C[C@H](Oc2ccc3cc(Br)ccc3c2Br)CN1 ZINC000042783077 523793490 /nfs/dbraw/zinc/79/34/90/523793490.db2.gz APIVWWWMXRJHOR-AAEUAGOBSA-N 0 0 429.108 3.647 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C12CCCCC2 ZINC000020744387 523809505 /nfs/dbraw/zinc/80/95/05/523809505.db2.gz IXPIOIRCOCXKDT-NRFANRHFSA-N 0 0 432.524 3.512 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012926058 523822346 /nfs/dbraw/zinc/82/23/46/523822346.db2.gz VIUJLIHOIXUELU-UHFFFAOYSA-N 0 0 428.554 3.532 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023145118 523848108 /nfs/dbraw/zinc/84/81/08/523848108.db2.gz XXKDYNBPJAAWFQ-UHFFFAOYSA-N 0 0 449.623 3.695 50 0 IHAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015942741 523854191 /nfs/dbraw/zinc/85/41/91/523854191.db2.gz KWUXPLKIAHLSIK-UHFFFAOYSA-N 0 0 429.517 3.862 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(OC)ccc2OC)c3=O)cc1 ZINC000033277727 523865843 /nfs/dbraw/zinc/86/58/43/523865843.db2.gz ZHHVYLGVRCQQAD-UHFFFAOYSA-N 0 0 448.479 3.660 50 0 IHAARN CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000035504054 523865902 /nfs/dbraw/zinc/86/59/02/523865902.db2.gz CFMOFYKFWQMQKD-IBGZPJMESA-N 0 0 428.536 3.887 50 0 IHAARN CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000035404184 523874274 /nfs/dbraw/zinc/87/42/74/523874274.db2.gz DEBWCEBLWALOFO-PGMHBOJBSA-N 0 0 435.549 3.634 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccccc3F)[C@H](c3ccco3)C2)cc1 ZINC000035948165 523875241 /nfs/dbraw/zinc/87/52/41/523875241.db2.gz BZTVJBJXCCWCKR-NRFANRHFSA-N 0 0 435.455 3.877 50 0 IHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000035961113 523875605 /nfs/dbraw/zinc/87/56/05/523875605.db2.gz GZOOJNWOQFGCHF-OAQYLSRUSA-N 0 0 447.491 3.747 50 0 IHAARN COc1ccc(C2=NN(C(=O)COc3ncnc4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000012548738 523877342 /nfs/dbraw/zinc/87/73/42/523877342.db2.gz WTQIDARXWXLRMR-NRFANRHFSA-N 0 0 428.448 3.988 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1Cl ZINC000020722473 523909811 /nfs/dbraw/zinc/90/98/11/523909811.db2.gz VPPKLSZRKSVNNW-FPOVZHCZSA-N 0 0 438.915 3.505 50 0 IHAARN CN(C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1)[C@@H]1CCCc2ccccc21 ZINC000012431323 523918372 /nfs/dbraw/zinc/91/83/72/523918372.db2.gz JLZVAZWVAQYJJV-HSZRJFAPSA-N 0 0 429.480 3.984 50 0 IHAARN COCCNC(=O)c1ccc(OC2CCN(Cc3cc(CC(C)C)n[nH]3)CC2)c(Cl)c1 ZINC000012433933 523925795 /nfs/dbraw/zinc/92/57/95/523925795.db2.gz QXPMFQCYXAGLNL-UHFFFAOYSA-N 0 0 448.995 3.681 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1OC ZINC000021677823 523927061 /nfs/dbraw/zinc/92/70/61/523927061.db2.gz CRWZDHHGSFQDMK-UHFFFAOYSA-N 0 0 425.485 3.537 50 0 IHAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000012182928 523951120 /nfs/dbraw/zinc/95/11/20/523951120.db2.gz WDSBQLUTXWMFEG-NRFANRHFSA-N 0 0 436.581 3.717 50 0 IHAARN COc1ccc(CCN2Cc3cc(NC(=O)c4ccccc4OC)ccc3OCC2=O)cc1 ZINC000035886099 523952958 /nfs/dbraw/zinc/95/29/58/523952958.db2.gz MGCGINDABPNYAF-UHFFFAOYSA-N 0 0 446.503 3.920 50 0 IHAARN COc1ccc(CCN2Cc3cc(NC(=O)C(C)C)ccc3O[C@@H](C)C2=O)cc1OC ZINC000035873560 523953147 /nfs/dbraw/zinc/95/31/47/523953147.db2.gz OCZCJPKKBMJHBI-INIZCTEOSA-N 0 0 426.513 3.651 50 0 IHAARN CCc1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3OC)CC2)cc1 ZINC000001110005 523965026 /nfs/dbraw/zinc/96/50/26/523965026.db2.gz UOZAFIIBUOXWJU-UHFFFAOYSA-N 0 0 439.375 3.531 50 0 IHAARN CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)s1 ZINC000022696546 524014679 /nfs/dbraw/zinc/01/46/79/524014679.db2.gz PASPJSLIASVDPC-UHFFFAOYSA-N 0 0 436.559 3.742 50 0 IHAARN COc1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1OS(C)(=O)=O ZINC000035776514 524016172 /nfs/dbraw/zinc/01/61/72/524016172.db2.gz KQRSARQOHXNVFX-UHFFFAOYSA-N 0 0 433.457 3.608 50 0 IHAARN COc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021781091 524022104 /nfs/dbraw/zinc/02/21/04/524022104.db2.gz ZBYOXFRVGYOZRN-RUZDIDTESA-N 0 0 434.540 3.622 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccccn2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036000878 524022459 /nfs/dbraw/zinc/02/24/59/524022459.db2.gz WJEQNQMRAKVPTH-UHFFFAOYSA-N 0 0 439.899 3.992 50 0 IHAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035999979 524024043 /nfs/dbraw/zinc/02/40/43/524024043.db2.gz PSMNGZQSWDTCKS-UHFFFAOYSA-N 0 0 440.931 3.677 50 0 IHAARN COc1ccc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)cc1 ZINC000020616969 524030996 /nfs/dbraw/zinc/03/09/96/524030996.db2.gz BCULVDJQSLYTNG-UHFFFAOYSA-N 0 0 438.475 3.620 50 0 IHAARN COCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1Br ZINC000012405966 524043240 /nfs/dbraw/zinc/04/32/40/524043240.db2.gz FRAWCWDYCCIMSJ-UHFFFAOYSA-N 0 0 447.329 3.963 50 0 IHAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000014596332 524043435 /nfs/dbraw/zinc/04/34/35/524043435.db2.gz VPELDNJWSZZYCJ-UHFFFAOYSA-N 0 0 445.459 3.842 50 0 IHAARN COc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccc(Br)o3)C2)cc1 ZINC000065058130 524063539 /nfs/dbraw/zinc/06/35/39/524063539.db2.gz GWMWPSAKEZZIJP-FQEVSTJZSA-N 0 0 435.318 3.609 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)cc1OC ZINC000021872523 524066297 /nfs/dbraw/zinc/06/62/97/524066297.db2.gz NHGGIEKNXNTKHP-UHFFFAOYSA-N 0 0 449.532 3.668 50 0 IHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)CC2)c1 ZINC000015730396 524127482 /nfs/dbraw/zinc/12/74/82/524127482.db2.gz KBQPABXKODKQKD-KRWDZBQOSA-N 0 0 445.610 3.637 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NCc3ccco3)C2)c1 ZINC000033175439 524137692 /nfs/dbraw/zinc/13/76/92/524137692.db2.gz FHASWEALTMJWNK-QGZVFWFLSA-N 0 0 448.548 3.881 50 0 IHAARN Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 ZINC000012527639 524139987 /nfs/dbraw/zinc/13/99/87/524139987.db2.gz FXXKDJCJCKPUQQ-HNNXBMFYSA-N 0 0 428.562 3.946 50 0 IHAARN Cc1cccc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C ZINC000021479656 524144041 /nfs/dbraw/zinc/14/40/41/524144041.db2.gz PMIXZPDMCSKBCL-UHFFFAOYSA-N 0 0 443.594 3.802 50 0 IHAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000035769042 524161660 /nfs/dbraw/zinc/16/16/60/524161660.db2.gz PORYMDQFXVDTGI-UHFFFAOYSA-N 0 0 430.552 3.964 50 0 IHAARN C[C@@H](C(=O)NCCC1=CCCCC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012866447 524179808 /nfs/dbraw/zinc/17/98/08/524179808.db2.gz IOOXBFGGMOBHSU-LMKMVOKYSA-N 0 0 434.540 3.599 50 0 biogenic IHAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000020820172 524186965 /nfs/dbraw/zinc/18/69/65/524186965.db2.gz VAFWURYGRHLKGY-IRXDYDNUSA-N 0 0 436.508 3.549 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)c1 ZINC000012919743 524187747 /nfs/dbraw/zinc/18/77/47/524187747.db2.gz YNEVKLSIZFMSNG-UHFFFAOYSA-N 0 0 432.542 3.804 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024613026 524221197 /nfs/dbraw/zinc/22/11/97/524221197.db2.gz XFHSDVSHJGHENN-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2cnn(-c3ccccc3)c2nc1C1CC1 ZINC000012441673 524228795 /nfs/dbraw/zinc/22/87/95/524228795.db2.gz INBSURHVBNMPBM-UHFFFAOYSA-N 0 0 449.898 3.760 50 0 IHAARN COc1cccc2cc(C(=O)N3CCN([C@@H](C)c4nc5ccccc5s4)CC3)c(=O)oc21 ZINC000023919425 524257909 /nfs/dbraw/zinc/25/79/09/524257909.db2.gz VHBSETGWENZAKJ-HNNXBMFYSA-N 0 0 449.532 3.930 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012697590 524258900 /nfs/dbraw/zinc/25/89/00/524258900.db2.gz HESXKDBBDJJRSK-IBGZPJMESA-N 0 0 433.508 3.644 50 0 IHAARN COc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)Nc1ccccc1F)c(C)n2C ZINC000035448330 524269134 /nfs/dbraw/zinc/26/91/34/524269134.db2.gz OUHUVDRYFBFGNN-UHFFFAOYSA-N 0 0 434.471 3.727 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000022913475 524275211 /nfs/dbraw/zinc/27/52/11/524275211.db2.gz SBMHYIVXWAZEGX-UHFFFAOYSA-N 0 0 439.947 3.763 50 0 IHAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CCCc1c[nH]c2ccccc12 ZINC000021330881 524277324 /nfs/dbraw/zinc/27/73/24/524277324.db2.gz SBKNHNLFUNWVQB-GOSISDBHSA-N 0 0 435.524 3.794 50 0 IHAARN Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c(C)c1 ZINC000021171995 524278758 /nfs/dbraw/zinc/27/87/58/524278758.db2.gz LSPCJKOPBXNFOH-NRFANRHFSA-N 0 0 432.568 3.814 50 0 IHAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1ccncc1)C(C(=O)Nc1cccnc1)=C(C)N2 ZINC000017243776 524281856 /nfs/dbraw/zinc/28/18/56/524281856.db2.gz ZOHUEQDPFIEYMT-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1ccc(F)c(C[C@]2(CCC(=O)N(CC3CCC3)C[C@@H]3CCCO3)CCC(=O)N2)c1 ZINC000012099398 524285116 /nfs/dbraw/zinc/28/51/16/524285116.db2.gz JHFHUHQXHYOUTM-SQJMNOBHSA-N 0 0 446.563 3.614 50 0 IHAARN COc1ccccc1-c1noc(COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)n1 ZINC000012789672 524293417 /nfs/dbraw/zinc/29/34/17/524293417.db2.gz AHKRVVNSCPLGER-UHFFFAOYSA-N 0 0 446.463 3.539 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000009663165 524308315 /nfs/dbraw/zinc/30/83/15/524308315.db2.gz DDRYJIQLFBHYHG-FQEVSTJZSA-N 0 0 437.550 3.730 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c(C)c1 ZINC000035531152 524316748 /nfs/dbraw/zinc/31/67/48/524316748.db2.gz IWOHIHQVPCWFCX-UHFFFAOYSA-N 0 0 432.561 3.858 50 0 IHAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000022115073 524358023 /nfs/dbraw/zinc/35/80/23/524358023.db2.gz YOHPGTHWUOGYMT-UHFFFAOYSA-N 0 0 440.594 3.627 50 0 IHAARN COc1ccc(N(CCC(N)=O)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012807141 524365117 /nfs/dbraw/zinc/36/51/17/524365117.db2.gz NPSMUUFZOAJKBC-UHFFFAOYSA-N 0 0 447.866 3.763 50 0 IHAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NC2CCCC2)C3=O)c1 ZINC000020574262 524411930 /nfs/dbraw/zinc/41/19/30/524411930.db2.gz YJXRHGLACWZGOW-RUZDIDTESA-N 0 0 449.576 3.642 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2c2ccccc2OC)cc1 ZINC000017057168 524470168 /nfs/dbraw/zinc/47/01/68/524470168.db2.gz BASPDKMFGXPUDG-IBGZPJMESA-N 0 0 437.525 3.945 50 0 IHAARN COc1ccc(NC(=O)CCC2CCN(C(=O)CCc3ccncc3)CC2)c(OC)c1 ZINC000012305201 524475906 /nfs/dbraw/zinc/47/59/06/524475906.db2.gz BWZRHLWTEYLWHN-UHFFFAOYSA-N 0 0 425.529 3.689 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1Cl ZINC000015397395 524492320 /nfs/dbraw/zinc/49/23/20/524492320.db2.gz HVRMCOVDVLNXEI-OAQYLSRUSA-N 0 0 427.844 3.501 50 0 IHAARN COc1ccc(NC(=O)CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)cc1OC ZINC000012410019 524498212 /nfs/dbraw/zinc/49/82/12/524498212.db2.gz OFUBYWJFHVRJGS-UHFFFAOYSA-N 0 0 442.903 3.545 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl ZINC000022732371 524518908 /nfs/dbraw/zinc/51/89/08/524518908.db2.gz SJVMPEFTDIYTHE-AWEZNQCLSA-N 0 0 428.963 3.982 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000012547927 524552357 /nfs/dbraw/zinc/55/23/57/524552357.db2.gz UEVJHOIPEGUJMZ-UHFFFAOYSA-N 0 0 442.519 3.884 50 0 IHAARN Cc1ccc(CNC(=O)c2cccc(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)c2)o1 ZINC000035458603 524561734 /nfs/dbraw/zinc/56/17/34/524561734.db2.gz OXKVSQYREHAHCL-QHCPKHFHSA-N 0 0 443.503 3.669 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000012768946 524587502 /nfs/dbraw/zinc/58/75/02/524587502.db2.gz LLGBWGNZLPXLAV-UHFFFAOYSA-N 0 0 441.959 3.906 50 0 IHAARN Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000032972108 524602794 /nfs/dbraw/zinc/60/27/94/524602794.db2.gz HQJJAIHCAJXEJN-UHFFFAOYSA-N 0 0 425.554 3.932 50 0 IHAARN COc1ccccc1NC(=O)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000016973855 524629237 /nfs/dbraw/zinc/62/92/37/524629237.db2.gz AQMSJYNOPPGMEX-GOSISDBHSA-N 0 0 444.491 3.579 50 0 IHAARN COc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)c(OC)c1 ZINC000035423255 524632839 /nfs/dbraw/zinc/63/28/39/524632839.db2.gz XRVJDYTUVWNERM-UHFFFAOYSA-N 0 0 444.447 3.560 50 0 IHAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C ZINC000012605368 524660144 /nfs/dbraw/zinc/66/01/44/524660144.db2.gz LDTGRZYOXOIBPP-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN COc1ccc(NC(=O)c2nnc(SCC(=O)NCc3ccccc3C)s2)cc1 ZINC000033011498 524660743 /nfs/dbraw/zinc/66/07/43/524660743.db2.gz NLGBKJCEUNMFNP-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN Cc1cccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1 ZINC000021885408 524705802 /nfs/dbraw/zinc/70/58/02/524705802.db2.gz KPUIWOGUGFLPPL-UHFFFAOYSA-N 0 0 426.885 3.744 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCCC2)c1 ZINC000036059353 524898508 /nfs/dbraw/zinc/89/85/08/524898508.db2.gz YGZQXTIVBVBSQZ-SFTDATJTSA-N 0 0 442.943 3.835 50 0 IHAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)c(F)c1 ZINC000012920269 524914896 /nfs/dbraw/zinc/91/48/96/524914896.db2.gz IBZCYWYBSKWIOZ-HNNXBMFYSA-N 0 0 448.535 3.732 50 0 IHAARN COc1ccc(OC)c([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000017197827 524918355 /nfs/dbraw/zinc/91/83/55/524918355.db2.gz YJRHKCGDMIEMAF-IQMFZBJNSA-N 0 0 439.537 3.669 50 0 IHAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NC2CCCC2)C3=O)cc1C ZINC000020574268 524922634 /nfs/dbraw/zinc/92/26/34/524922634.db2.gz OMINQUMNPUWCDF-VWLOTQADSA-N 0 0 449.576 3.642 50 0 IHAARN C[C@@H](Cc1ccco1)NC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011907 524926840 /nfs/dbraw/zinc/92/68/40/524926840.db2.gz JMBNUOIFGVIBIX-NSHDSACASA-N 0 0 436.946 3.876 50 0 IHAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527854 524928861 /nfs/dbraw/zinc/92/88/61/524928861.db2.gz SBDLJXDJFVYJSQ-KRWDZBQOSA-N 0 0 426.476 3.652 50 0 IHAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012880564 524930323 /nfs/dbraw/zinc/93/03/23/524930323.db2.gz ZZHKLMIBJOKNQT-KRWDZBQOSA-N 0 0 449.619 3.974 50 0 IHAARN COc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000013113248 524945802 /nfs/dbraw/zinc/94/58/02/524945802.db2.gz YIVNRUQKYRRMCJ-UHFFFAOYSA-N 0 0 446.569 3.976 50 0 IHAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccnc2)cc1 ZINC000035598299 524972752 /nfs/dbraw/zinc/97/27/52/524972752.db2.gz UDYPFHSVOWZMON-QFIPXVFZSA-N 0 0 434.492 3.926 50 0 IHAARN Cc1ccc(N2C[C@H](NC(=O)N3CCn4cccc4[C@@H]3c3ccccc3F)CC2=O)cc1 ZINC000012361880 524985845 /nfs/dbraw/zinc/98/58/45/524985845.db2.gz KWTOAWSCGSSQQM-KOSHJBKYSA-N 0 0 432.499 3.856 50 0 IHAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(-n2cncn2)cc1 ZINC000018159219 524994376 /nfs/dbraw/zinc/99/43/76/524994376.db2.gz YJCFLGWSPFWKNU-HNNXBMFYSA-N 0 0 429.509 3.618 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cccc(Cl)c2)cc1 ZINC000012417785 525007210 /nfs/dbraw/zinc/00/72/10/525007210.db2.gz HUKJSRLZJUJGLH-UHFFFAOYSA-N 0 0 436.961 3.802 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001150566 525007627 /nfs/dbraw/zinc/00/76/27/525007627.db2.gz QCDRKYPIVOUFLJ-UHFFFAOYSA-N 0 0 438.549 3.858 50 0 IHAARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3C)n2n1 ZINC000017136133 525012988 /nfs/dbraw/zinc/01/29/88/525012988.db2.gz RNNWYVDBZDLVNU-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c(C)c1 ZINC000021721868 525041470 /nfs/dbraw/zinc/04/14/70/525041470.db2.gz HBMJNTJGTDHRIM-UHFFFAOYSA-N 0 0 436.497 3.995 50 0 IHAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000012800107 525043050 /nfs/dbraw/zinc/04/30/50/525043050.db2.gz JDWBODBYBJXGGU-UHFFFAOYSA-N 0 0 430.480 3.906 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)cc1 ZINC000012855865 525043156 /nfs/dbraw/zinc/04/31/56/525043156.db2.gz HDNZXOWQDLVJSR-INIZCTEOSA-N 0 0 432.362 3.675 50 0 IHAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1F ZINC000020532656 525045149 /nfs/dbraw/zinc/04/51/49/525045149.db2.gz CPXLHXFKXXJINJ-UHFFFAOYSA-N 0 0 429.517 3.753 50 0 IHAARN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Br ZINC000012931476 525045729 /nfs/dbraw/zinc/04/57/29/525045729.db2.gz AXGSJWGBXAIFPB-OAHLLOKOSA-N 0 0 428.334 3.970 50 0 IHAARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl ZINC000012556153 525059098 /nfs/dbraw/zinc/05/90/98/525059098.db2.gz HZJIFVUMDDUAGB-NRFANRHFSA-N 0 0 427.932 3.867 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034899720 525059430 /nfs/dbraw/zinc/05/94/30/525059430.db2.gz HLAJRGDCSIJRIO-FGZHOGPDSA-N 0 0 441.616 3.827 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1NC(C)=O ZINC000012561094 525087616 /nfs/dbraw/zinc/08/76/16/525087616.db2.gz CMQHYCWEMBBHOD-UHFFFAOYSA-N 0 0 446.554 3.664 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1Cl ZINC000035456098 525100731 /nfs/dbraw/zinc/10/07/31/525100731.db2.gz WPTJNVJYCXLIBR-UHFFFAOYSA-N 0 0 436.943 3.711 50 0 IHAARN C[C@@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C(F)F ZINC000012507203 525111683 /nfs/dbraw/zinc/11/16/83/525111683.db2.gz VPBYAMUJCMDQCG-TWLOVUBOSA-N 0 0 430.499 3.941 50 0 IHAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Br ZINC000012845312 525119318 /nfs/dbraw/zinc/11/93/18/525119318.db2.gz VCKGMTDMDDIJFX-UHFFFAOYSA-N 0 0 437.359 3.797 50 0 IHAARN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1Cl ZINC000021938757 525133942 /nfs/dbraw/zinc/13/39/42/525133942.db2.gz LFJVBEQSSWLBRJ-UHFFFAOYSA-N 0 0 446.960 3.679 50 0 IHAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC[C@H]1CCCO1 ZINC000021859726 525134452 /nfs/dbraw/zinc/13/44/52/525134452.db2.gz CZJBUFYZSRRPKD-RLWLMLJZSA-N 0 0 431.536 3.660 50 0 IHAARN Cc1cc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)n(-c2ccccc2)n1 ZINC000022792439 525141121 /nfs/dbraw/zinc/14/11/21/525141121.db2.gz ASGYWXZRAXOEPX-UHFFFAOYSA-N 0 0 446.580 3.547 50 0 IHAARN C[C@H](NC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccn1 ZINC000012565481 525166392 /nfs/dbraw/zinc/16/63/92/525166392.db2.gz SFSDHRHDDYGDJP-STQMWFEESA-N 0 0 428.583 3.758 50 0 IHAARN C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl ZINC000012891049 525189870 /nfs/dbraw/zinc/18/98/70/525189870.db2.gz VKQXRROIIMVFEN-QKVFXAPYSA-N 0 0 432.307 3.780 50 0 IHAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000013128480 525203349 /nfs/dbraw/zinc/20/33/49/525203349.db2.gz SYOICYUBRPBGES-DEOSSOPVSA-N 0 0 436.533 3.890 50 0 IHAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)no1 ZINC000016828937 525208538 /nfs/dbraw/zinc/20/85/38/525208538.db2.gz NVJQWNOZBPGNDS-OAHLLOKOSA-N 0 0 447.447 3.584 50 0 IHAARN CS(=O)(=O)Nc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1F ZINC000012756219 525214731 /nfs/dbraw/zinc/21/47/31/525214731.db2.gz YKMICVQNEVFEGS-UHFFFAOYSA-N 0 0 427.457 3.702 50 0 IHAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)cc1 ZINC000012605870 525217663 /nfs/dbraw/zinc/21/76/63/525217663.db2.gz RGRCPMPGBSAMKA-UHFFFAOYSA-N 0 0 439.522 3.620 50 0 IHAARN Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2N2CCOCC2)cc1 ZINC000001137443 525232476 /nfs/dbraw/zinc/23/24/76/525232476.db2.gz AVKAQSLZCRCDBX-UHFFFAOYSA-N 0 0 441.487 3.885 50 0 IHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000012565811 525239440 /nfs/dbraw/zinc/23/94/40/525239440.db2.gz IOFLXVTUAWGFCC-QHCPKHFHSA-N 0 0 439.471 3.669 50 0 IHAARN C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O ZINC000012790513 525241118 /nfs/dbraw/zinc/24/11/18/525241118.db2.gz IASAKCSNRYMSDT-LAUBAEHRSA-N 0 0 438.858 3.918 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1=O ZINC000012785890 525242058 /nfs/dbraw/zinc/24/20/58/525242058.db2.gz SJNOFRGPJPHHLT-WIOPSUGQSA-N 0 0 447.560 3.897 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000012759062 525243278 /nfs/dbraw/zinc/24/32/78/525243278.db2.gz UNEHAEKLWJEQGM-UHFFFAOYSA-N 0 0 445.544 3.932 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c(Cl)c1 ZINC000020558095 525299313 /nfs/dbraw/zinc/29/93/13/525299313.db2.gz CTKKXCXRGZFRNZ-UHFFFAOYSA-N 0 0 441.896 3.640 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F ZINC000012790671 525304061 /nfs/dbraw/zinc/30/40/61/525304061.db2.gz IBFJXEPVTHLZHJ-LBPRGKRZSA-N 0 0 429.517 3.821 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O ZINC000021759514 525356391 /nfs/dbraw/zinc/35/63/91/525356391.db2.gz GDPKXWYEDZKLSX-BUXKBTBVSA-N 0 0 427.423 3.661 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O ZINC000012523230 525357135 /nfs/dbraw/zinc/35/71/35/525357135.db2.gz NGAHPAQTJJMACX-XDHUDOTRSA-N 0 0 426.561 3.752 50 0 IHAARN Cc1cc(OS(=O)(=O)CS(=O)(=O)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002157292 525376113 /nfs/dbraw/zinc/37/61/13/525376113.db2.gz BZMSLNKZTYAUJC-UHFFFAOYSA-N 0 0 425.311 3.685 50 0 IHAARN Cc1ccc(OCC(=O)N2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012227374 525378459 /nfs/dbraw/zinc/37/84/59/525378459.db2.gz OJVGXBBOILNFHL-UHFFFAOYSA-N 0 0 438.524 3.803 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1 ZINC000012126462 525432985 /nfs/dbraw/zinc/43/29/85/525432985.db2.gz JZTSWIRVNVGKKI-UHFFFAOYSA-N 0 0 444.495 3.568 50 0 IHAARN Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(C)(=O)=O)ccc3C)cs2)cc1 ZINC000012852669 525448533 /nfs/dbraw/zinc/44/85/33/525448533.db2.gz HEIDTWHIPPUBDW-UHFFFAOYSA-N 0 0 430.551 3.924 50 0 IHAARN Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nc(C)n2)cc1 ZINC000012225160 525472067 /nfs/dbraw/zinc/47/20/67/525472067.db2.gz FUUYHDVUNWDQSW-UHFFFAOYSA-N 0 0 438.553 3.538 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCC(=O)N3Cc4cccn4-c4ccccc43)c2c1 ZINC000021663660 525492361 /nfs/dbraw/zinc/49/23/61/525492361.db2.gz LZTMZAPZNUZJBE-UHFFFAOYSA-N 0 0 442.519 3.953 50 0 biogenic IHAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)cc4oc(=O)c5c(c34)CCC5)c2c1 ZINC000012890530 525492570 /nfs/dbraw/zinc/49/25/70/525492570.db2.gz KEBDCGSEFVBTEF-UHFFFAOYSA-N 0 0 446.503 3.818 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(F)cc2)cc1 ZINC000033014211 525514597 /nfs/dbraw/zinc/51/45/97/525514597.db2.gz GTTNSQGJHHEKAV-UHFFFAOYSA-N 0 0 425.489 3.584 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1C ZINC000012522320 525520451 /nfs/dbraw/zinc/52/04/51/525520451.db2.gz GZAUYVYDCZSBTF-UHFFFAOYSA-N 0 0 441.597 3.943 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)c2oc1-c1ccccc1 ZINC000012796719 525522011 /nfs/dbraw/zinc/52/20/11/525522011.db2.gz SZDBGCALJFGHGH-ROUUACIJSA-N 0 0 434.536 3.998 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000035911110 525551463 /nfs/dbraw/zinc/55/14/63/525551463.db2.gz UBEVIYVTEMTAGA-ISKFKSNPSA-N 0 0 425.548 3.864 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc(C)c(F)c4)sc3C2)cc1 ZINC000021654738 525553869 /nfs/dbraw/zinc/55/38/69/525553869.db2.gz NOOPYHNGUFDFDA-UHFFFAOYSA-N 0 0 445.541 3.898 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2ccccc2)cc1 ZINC000020850666 525554068 /nfs/dbraw/zinc/55/40/68/525554068.db2.gz HERMLTSSJKEXPY-XMMPIXPASA-N 0 0 434.561 3.990 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccccc1Cl)cc(C(=O)c1ccncc1)c2=O ZINC000035535237 525607299 /nfs/dbraw/zinc/60/72/99/525607299.db2.gz HPADADUIGZEWBB-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)COc4ccccc4)ccc3C)nc2c1 ZINC000033068059 525607454 /nfs/dbraw/zinc/60/74/54/525607454.db2.gz KAKPEUJWALJDHN-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2S(=O)(=O)CC(C)C)cc1 ZINC000020443583 525633562 /nfs/dbraw/zinc/63/35/62/525633562.db2.gz SZVKBAFMXAPKMZ-UHFFFAOYSA-N 0 0 425.553 3.974 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012910367 525638674 /nfs/dbraw/zinc/63/86/74/525638674.db2.gz CZLAEVIZQVIHDX-UHFFFAOYSA-N 0 0 441.406 3.994 50 0 IHAARN Cc1ccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000021760474 525641969 /nfs/dbraw/zinc/64/19/69/525641969.db2.gz KGFJVRRHWNFJJM-UHFFFAOYSA-N 0 0 430.595 3.851 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccnc1)C3=O ZINC000021857287 525643297 /nfs/dbraw/zinc/64/32/97/525643297.db2.gz QHNJCXKGDHCDMZ-VWLOTQADSA-N 0 0 432.524 3.518 50 0 IHAARN Cc1ccc(Sc2ncccc2C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000012774065 525671939 /nfs/dbraw/zinc/67/19/39/525671939.db2.gz QHMUBPZITBMJCJ-UHFFFAOYSA-N 0 0 447.560 3.944 50 0 IHAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)COc3ccc(F)cc3)cc(=O)n2o1 ZINC000035448202 525672820 /nfs/dbraw/zinc/67/28/20/525672820.db2.gz HGCKYNOVIZHCQB-UHFFFAOYSA-N 0 0 437.427 3.640 50 0 IHAARN COc1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000012769794 525673686 /nfs/dbraw/zinc/67/36/86/525673686.db2.gz ZNIRNGDYOCVLKQ-UHFFFAOYSA-N 0 0 445.566 3.661 50 0 IHAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)COc3cccc(C)c3)cc(=O)n2o1 ZINC000035448098 525673997 /nfs/dbraw/zinc/67/39/97/525673997.db2.gz ZFCRBIXIUWYQFM-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000020588903 525682310 /nfs/dbraw/zinc/68/23/10/525682310.db2.gz DGEZNUGCDZGDEB-UHFFFAOYSA-N 0 0 432.572 3.993 50 0 IHAARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)nc2c1 ZINC000022997541 525696956 /nfs/dbraw/zinc/69/69/56/525696956.db2.gz AOCRWDOKNZWFFM-UHFFFAOYSA-N 0 0 425.554 3.603 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)cc3)n2)c1 ZINC000015670456 525717956 /nfs/dbraw/zinc/71/79/56/525717956.db2.gz RZDCWWNNOPXNFE-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000020783327 525720465 /nfs/dbraw/zinc/72/04/65/525720465.db2.gz QWCOMYQCGILVBC-SFHVURJKSA-N 0 0 434.496 3.573 50 0 IHAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)NCCc3ccc(C)cc3)c(C)o2)c1 ZINC000015944388 525726386 /nfs/dbraw/zinc/72/63/86/525726386.db2.gz CVCBYSGMOOIQEH-SSEXGKCCSA-N 0 0 426.538 3.575 50 0 IHAARN COc1cccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1 ZINC000020241658 525727256 /nfs/dbraw/zinc/72/72/56/525727256.db2.gz CHWPHUCKTUEYRJ-LJAQVGFWSA-N 0 0 432.929 3.877 50 0 IHAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3sccc3C(N)=O)c3ccccc3n2)o1 ZINC000012811431 525728893 /nfs/dbraw/zinc/72/88/93/525728893.db2.gz PFUXCITYGGSSIR-UHFFFAOYSA-N 0 0 435.461 3.759 50 0 IHAARN C[C@@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000020869081 525753464 /nfs/dbraw/zinc/75/34/64/525753464.db2.gz MGGFAKDGGPBXAU-OAHLLOKOSA-N 0 0 430.346 3.667 50 0 IHAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCCCc4ccncc4)c3C3CC3)n2)o1 ZINC000012152167 525761334 /nfs/dbraw/zinc/76/13/34/525761334.db2.gz QVLCODPLFHDVIL-UHFFFAOYSA-N 0 0 428.496 3.866 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)N2CCOCC2)o1 ZINC000040132005 525761930 /nfs/dbraw/zinc/76/19/30/525761930.db2.gz SSSUXELEPPSDMZ-DENIHFKCSA-N 0 0 435.524 3.926 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000012525108 525768667 /nfs/dbraw/zinc/76/86/67/525768667.db2.gz IODIPUNZQPRJRJ-HNNXBMFYSA-N 0 0 431.945 3.614 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000035511996 525798559 /nfs/dbraw/zinc/79/85/59/525798559.db2.gz XOKRCZHWZDIBGJ-HNNXBMFYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1c(NC(=O)CN[C@H](c2cccs2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000057383178 525835471 /nfs/dbraw/zinc/83/54/71/525835471.db2.gz QZSGWPRENYJMJR-QHCPKHFHSA-N 0 0 432.549 3.864 50 0 IHAARN COc1cccc(C(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1 ZINC000035707617 525837032 /nfs/dbraw/zinc/83/70/32/525837032.db2.gz MGVAXJLXVIZHFI-NRFANRHFSA-N 0 0 437.496 3.869 50 0 IHAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC1CC1)C(=O)C1CC1 ZINC000033413376 525841975 /nfs/dbraw/zinc/84/19/75/525841975.db2.gz LQRMZWWTHYIFGY-UHFFFAOYSA-N 0 0 440.565 3.963 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)C3CCC3)[C@@H](c3ccccc3OC)C2)c1 ZINC000035962517 525856004 /nfs/dbraw/zinc/85/60/04/525856004.db2.gz NIVADNSGPTYDET-JOCHJYFZSA-N 0 0 435.524 3.640 50 0 IHAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)c3ccco3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035962260 525858386 /nfs/dbraw/zinc/85/83/86/525858386.db2.gz LDFXRFSBONOHHR-OAQYLSRUSA-N 0 0 435.455 3.877 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012760941 525878599 /nfs/dbraw/zinc/87/85/99/525878599.db2.gz RTLXXOQFCNSEFX-QGZVFWFLSA-N 0 0 440.931 3.810 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(CCc4ccccc4)c3=O)n2)cc1 ZINC000035527755 525881268 /nfs/dbraw/zinc/88/12/68/525881268.db2.gz GHAXXYGWUXYTKW-UHFFFAOYSA-N 0 0 444.516 3.874 50 0 IHAARN Cc1c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000035422193 525882350 /nfs/dbraw/zinc/88/23/50/525882350.db2.gz PFRWWGNVXBZQMW-UHFFFAOYSA-N 0 0 443.613 3.603 50 0 IHAARN C[C@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1nnc(-c2ccccc2)o1 ZINC000021732028 525882734 /nfs/dbraw/zinc/88/27/34/525882734.db2.gz HMUFIDFIHHFEKG-AWEZNQCLSA-N 0 0 427.482 3.572 50 0 IHAARN C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102499929 525884675 /nfs/dbraw/zinc/88/46/75/525884675.db2.gz YXRHBPUTSUELOS-ZNMIVQPWSA-N 0 0 426.966 3.733 50 0 IHAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N1CCc2ccccc21 ZINC000012732602 525885201 /nfs/dbraw/zinc/88/52/01/525885201.db2.gz PANXEFGMVVKCTJ-OAHLLOKOSA-N 0 0 447.457 3.838 50 0 IHAARN C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012847251 525885710 /nfs/dbraw/zinc/88/57/10/525885710.db2.gz OMJMAHXNYBFHDH-AWEZNQCLSA-N 0 0 432.423 3.528 50 0 IHAARN C[C@@H](OC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000011962807 525886816 /nfs/dbraw/zinc/88/68/16/525886816.db2.gz WXAVILHNQGNHPZ-GOSISDBHSA-N 0 0 443.503 3.968 50 0 IHAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O ZINC000012756162 525887513 /nfs/dbraw/zinc/88/75/13/525887513.db2.gz QSULWKVZZNHWJU-CPJLOUKISA-N 0 0 449.457 3.901 50 0 IHAARN C[C@@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022528699 525889859 /nfs/dbraw/zinc/88/98/59/525889859.db2.gz IHBGZNXHFRSXMS-SECBINFHSA-N 0 0 445.686 3.695 50 0 IHAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1)C(N)=O ZINC000012797040 525893300 /nfs/dbraw/zinc/89/33/00/525893300.db2.gz DCICHTKZXKXSDL-CQSZACIVSA-N 0 0 434.883 3.831 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000022259885 525894221 /nfs/dbraw/zinc/89/42/21/525894221.db2.gz HLHKCNBQMPZEEI-GOSISDBHSA-N 0 0 444.487 3.792 50 0 IHAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)NCc4ccc5c(c4)OCO5)CC3)cn2)cc1C ZINC000035403600 525907450 /nfs/dbraw/zinc/90/74/50/525907450.db2.gz AVOPKRBJBRIXQM-UHFFFAOYSA-N 0 0 444.535 3.623 50 0 IHAARN COc1cccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1OC ZINC000023528550 525910595 /nfs/dbraw/zinc/91/05/95/525910595.db2.gz SQUUYJPXTWXIAO-UHFFFAOYSA-N 0 0 426.900 3.839 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000012906796 525924754 /nfs/dbraw/zinc/92/47/54/525924754.db2.gz VQTGPZCCVQVVHC-CQSZACIVSA-N 0 0 428.872 3.965 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)Nc4cc(C)cc(C)c4)CC3)ccc2=O)cc1 ZINC000033037550 525928829 /nfs/dbraw/zinc/92/88/29/525928829.db2.gz BFXXZEKULCWJLB-UHFFFAOYSA-N 0 0 431.540 3.902 50 0 IHAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)NC(C)C)c1 ZINC000036043233 525955046 /nfs/dbraw/zinc/95/50/46/525955046.db2.gz CKELRMKFWHBQBS-OSPHWJPCSA-N 0 0 441.572 3.908 50 0 IHAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000012800577 525956962 /nfs/dbraw/zinc/95/69/62/525956962.db2.gz FRGRJQVDPGDRSM-ROUUACIJSA-N 0 0 441.487 3.833 50 0 IHAARN C[C@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015496383 525983607 /nfs/dbraw/zinc/98/36/07/525983607.db2.gz JJDYYKWTVOVYIN-JTQLQIEISA-N 0 0 434.447 3.875 50 0 IHAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(C)nc4onc(C)c43)C2)cc1 ZINC000021533235 525984544 /nfs/dbraw/zinc/98/45/44/525984544.db2.gz MEGDKOKRBSTILI-KRWDZBQOSA-N 0 0 425.558 3.532 50 0 IHAARN COc1cccc(CNC(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)c1OC ZINC000012134499 526008708 /nfs/dbraw/zinc/00/87/08/526008708.db2.gz FHWWIJNCLNJEBE-UHFFFAOYSA-N 0 0 435.509 3.646 50 0 IHAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021242891 526010812 /nfs/dbraw/zinc/01/08/12/526010812.db2.gz YWHPOUZNVXRQIV-LJQANCHMSA-N 0 0 447.608 3.970 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012741690 526012232 /nfs/dbraw/zinc/01/22/32/526012232.db2.gz OJBPULLJLAMBBH-LBPRGKRZSA-N 0 0 440.550 3.960 50 0 IHAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012741688 526013132 /nfs/dbraw/zinc/01/31/32/526013132.db2.gz OJBPULLJLAMBBH-GFCCVEGCSA-N 0 0 440.550 3.960 50 0 IHAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 ZINC000012522546 526013557 /nfs/dbraw/zinc/01/35/57/526013557.db2.gz PWWBJXKJEBRBJQ-HNNXBMFYSA-N 0 0 432.557 3.545 50 0 IHAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCN(Cc4ccc(F)cc4)C3)c2)on1 ZINC000020580382 526039280 /nfs/dbraw/zinc/03/92/80/526039280.db2.gz LRWIXANAFZNCGW-UHFFFAOYSA-N 0 0 429.517 3.952 50 0 IHAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308233 526047317 /nfs/dbraw/zinc/04/73/17/526047317.db2.gz JWJUOKZQQZNWDY-NRFANRHFSA-N 0 0 438.911 3.632 50 0 IHAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1I ZINC000030214585 526059588 /nfs/dbraw/zinc/05/95/88/526059588.db2.gz COVXIOQMCUDVRH-LBPRGKRZSA-N 0 0 443.306 3.528 50 0 IHAARN C[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012787413 526061992 /nfs/dbraw/zinc/06/19/92/526061992.db2.gz UPNLMSNJAIQOAC-GTFPLQCESA-N 0 0 440.543 3.740 50 0 IHAARN COc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)C(C)C)C(C)C)n2CC(C)C)c1 ZINC000036030221 526066172 /nfs/dbraw/zinc/06/61/72/526066172.db2.gz WYICADZYKHWSDJ-UHFFFAOYSA-N 0 0 449.617 3.915 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1C ZINC000021093490 526089860 /nfs/dbraw/zinc/08/98/60/526089860.db2.gz COCPOXOTBMYMGJ-UHFFFAOYSA-N 0 0 440.341 3.617 50 0 IHAARN CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c1 ZINC000012371914 526117444 /nfs/dbraw/zinc/11/74/44/526117444.db2.gz CMMYILNENRIANN-UHFFFAOYSA-N 0 0 435.549 3.988 50 0 biogenic,in-vitro IHAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000012123410 526120659 /nfs/dbraw/zinc/12/06/59/526120659.db2.gz QHRCSFNAIWCRKM-UHFFFAOYSA-N 0 0 427.892 3.591 50 0 IHAARN COc1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015822131 526134629 /nfs/dbraw/zinc/13/46/29/526134629.db2.gz IBIRRTBQLIXWFL-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(Cl)cc12 ZINC000021391244 526148127 /nfs/dbraw/zinc/14/81/27/526148127.db2.gz YXIFUGMYXKEARX-ZDUSSCGKSA-N 0 0 429.856 3.782 50 0 IHAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000012784109 526170011 /nfs/dbraw/zinc/17/00/11/526170011.db2.gz SAJVFUMOEKYMCP-LBPRGKRZSA-N 0 0 431.338 3.735 50 0 IHAARN Cc1ccc2c(c1)NC(SCC(=O)Nc1cccc(C(F)(F)F)c1)=NS2(=O)=O ZINC000021117322 526172605 /nfs/dbraw/zinc/17/26/05/526172605.db2.gz DAYJHQSCKBBNFD-UHFFFAOYSA-N 0 0 429.445 3.856 50 0 IHAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)NCCc1cccc(Cl)c1 ZINC000022829910 526208201 /nfs/dbraw/zinc/20/82/01/526208201.db2.gz LRJAQEQAZXBSEJ-UHFFFAOYSA-N 0 0 445.928 3.936 50 0 IHAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)NCc1ccc(Cl)cc1 ZINC000035535091 526215417 /nfs/dbraw/zinc/21/54/17/526215417.db2.gz SLJIULPWZFZRGW-UHFFFAOYSA-N 0 0 445.906 3.906 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000012904902 526216493 /nfs/dbraw/zinc/21/64/93/526216493.db2.gz DHAWTYUYEKCVSR-KRWDZBQOSA-N 0 0 437.540 3.585 50 0 IHAARN CSc1nn(CC(=O)Nc2cc(C)cc(C)c2)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021910927 526223960 /nfs/dbraw/zinc/22/39/60/526223960.db2.gz OGCQOWXMNXHDLP-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN CSc1nn(CC(=O)Nc2cc(C)ccc2C)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000021910930 526224711 /nfs/dbraw/zinc/22/47/11/526224711.db2.gz AEIYVUYCRGIMRM-UHFFFAOYSA-N 0 0 444.582 3.584 50 0 IHAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2nc3n(c2n1)CCCCC3 ZINC000012822086 526227510 /nfs/dbraw/zinc/22/75/10/526227510.db2.gz MKSZUMKBBOZFMC-MRXNPFEDSA-N 0 0 440.569 3.703 50 0 IHAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2c1 ZINC000012918970 526242153 /nfs/dbraw/zinc/24/21/53/526242153.db2.gz WTQMHLTYZIWLPR-UHFFFAOYSA-N 0 0 443.547 3.921 50 0 IHAARN COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4cccn4)nc(C)n3)cc2)c1 ZINC000035597382 526243822 /nfs/dbraw/zinc/24/38/22/526243822.db2.gz AEBHOUSMAVUVSU-UHFFFAOYSA-N 0 0 436.497 3.524 50 0 IHAARN Cc1ccc(C)c(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 ZINC000012887822 526257077 /nfs/dbraw/zinc/25/70/77/526257077.db2.gz SDCCPNHYLQGTSM-HNNXBMFYSA-N 0 0 447.568 3.689 50 0 IHAARN Cc1nn(CC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(=O)c2ccccc12 ZINC000012792943 526269254 /nfs/dbraw/zinc/26/92/54/526269254.db2.gz MGWWFIIYPOCDSQ-UHFFFAOYSA-N 0 0 426.448 3.669 50 0 IHAARN O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000035673182 526272368 /nfs/dbraw/zinc/27/23/68/526272368.db2.gz DJQMZISHCLKBQV-UHFFFAOYSA-N 0 0 438.480 3.568 50 0 IHAARN Cc1nn(CCC(=O)Nc2ccc(C)c(C)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000021029542 526278194 /nfs/dbraw/zinc/27/81/94/526278194.db2.gz STJJWVYQWSJLPS-UHFFFAOYSA-N 0 0 432.590 3.566 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1cccc(F)c1 ZINC000014686824 526299436 /nfs/dbraw/zinc/29/94/36/526299436.db2.gz VHHISWVNHQFJBG-YBEGLDIGSA-N 0 0 436.411 3.893 50 0 IHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3F)c12 ZINC000012781342 526305496 /nfs/dbraw/zinc/30/54/96/526305496.db2.gz NHAXAYNQYMXLLP-OAHLLOKOSA-N 0 0 442.516 3.677 50 0 IHAARN O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000023143076 526306467 /nfs/dbraw/zinc/30/64/67/526306467.db2.gz FKYYLALRRWCBPB-UHFFFAOYSA-N 0 0 445.542 3.848 50 0 IHAARN O=C(C1CCN(c2ccc(N3CCCC3)nn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000033256125 526306799 /nfs/dbraw/zinc/30/67/99/526306799.db2.gz KOFKWDKBJIECNW-UHFFFAOYSA-N 0 0 433.600 3.775 50 0 IHAARN O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000014986491 526309134 /nfs/dbraw/zinc/30/91/34/526309134.db2.gz GMCAULGOXRWWJY-NQIIRXRSSA-N 0 0 430.976 3.638 50 0 IHAARN O=C(CCC(=O)c1ccc(Cl)s1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000012777116 526385015 /nfs/dbraw/zinc/38/50/15/526385015.db2.gz GKQJQQZXKJEMOQ-UHFFFAOYSA-N 0 0 433.961 3.584 50 0 IHAARN O=C(NCC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012605183 526389189 /nfs/dbraw/zinc/38/91/89/526389189.db2.gz CTMZSZKJQSLXLL-QGZVFWFLSA-N 0 0 442.459 3.805 50 0 IHAARN O=c1[nH]c(CSc2cccc[n+]2[O-])nc2c(Br)cc(Br)cc12 ZINC000023515397 526392506 /nfs/dbraw/zinc/39/25/06/526392506.db2.gz YGVGSQDKAKVJRO-UHFFFAOYSA-N 0 0 443.120 3.786 50 0 IHAARN Cc1csc(SCc2c3ccccc3oc2C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000012568943 526397315 /nfs/dbraw/zinc/39/73/15/526397315.db2.gz DQMCCRMNZBDXEM-ZDUSSCGKSA-N 0 0 436.580 3.749 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195529 526403819 /nfs/dbraw/zinc/40/38/19/526403819.db2.gz MKUMLCJHKSDJRS-UHFFFAOYSA-N 0 0 427.353 3.896 50 0 IHAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1nccnc1-c1nc2ccccc2s1 ZINC000012778944 526419870 /nfs/dbraw/zinc/41/98/70/526419870.db2.gz HFBNFQOMVXXTQU-UHFFFAOYSA-N 0 0 431.477 3.643 50 0 IHAARN O=C(OCc1cc(-c2ccccc2)no1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000012818872 526424109 /nfs/dbraw/zinc/42/41/09/526424109.db2.gz QHOJARQPAMFZEP-RUZDIDTESA-N 0 0 443.459 3.526 50 0 IHAARN O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012760400 526442578 /nfs/dbraw/zinc/44/25/78/526442578.db2.gz VCKMILORKYXGOE-UHFFFAOYSA-N 0 0 446.516 3.527 50 0 IHAARN O=C(NCCc1ccncc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012318228 526445707 /nfs/dbraw/zinc/44/57/07/526445707.db2.gz MUJAYHSMDBEDAF-UHFFFAOYSA-N 0 0 427.552 3.603 50 0 IHAARN O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000012375874 526459022 /nfs/dbraw/zinc/45/90/22/526459022.db2.gz CFHAISRJJOZQNC-JWGURIENSA-N 0 0 428.467 3.832 50 0 IHAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000021540693 526459952 /nfs/dbraw/zinc/45/99/52/526459952.db2.gz KAETZXDPMTUSMI-KQDNUWKFSA-N 0 0 443.569 3.613 50 0 IHAARN O=C(CCN(C(=O)c1csc(Nc2ccc(F)cc2)n1)C1CC1)NCc1ccco1 ZINC000036009689 526474738 /nfs/dbraw/zinc/47/47/38/526474738.db2.gz XFIGKGBPPJKATA-UHFFFAOYSA-N 0 0 428.489 3.930 50 0 IHAARN O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1Cl ZINC000022912524 526487269 /nfs/dbraw/zinc/48/72/69/526487269.db2.gz PSHDPDMDHNVIDT-UHFFFAOYSA-N 0 0 435.355 3.578 50 0 IHAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1=C(c2ccccc2)SCCO1 ZINC000020738252 526492895 /nfs/dbraw/zinc/49/28/95/526492895.db2.gz RKFYGOHYQOXFET-FQEVSTJZSA-N 0 0 444.984 3.962 50 0 IHAARN O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034916211 526525845 /nfs/dbraw/zinc/52/58/45/526525845.db2.gz PRLVQCFVVKOFFY-HNNXBMFYSA-N 0 0 435.421 3.546 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)Cc2[nH]nc3ccccc32)C1)NCc1ccc(F)c(F)c1 ZINC000012444355 526554031 /nfs/dbraw/zinc/55/40/31/526554031.db2.gz KAFBSXWIRCJVPL-INIZCTEOSA-N 0 0 440.494 3.719 50 0 IHAARN O=C(CC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1CCN(c2ccccn2)CC1 ZINC000012465324 526569352 /nfs/dbraw/zinc/56/93/52/526569352.db2.gz ITZZIZKUHLQDQA-GOSISDBHSA-N 0 0 447.505 3.841 50 0 IHAARN Cc1nc(-c2ccc(I)cc2)nn1CC(=O)Nc1cccc(F)c1 ZINC000089718049 526575650 /nfs/dbraw/zinc/57/56/50/526575650.db2.gz JYSRIEROMJOLKH-UHFFFAOYSA-N 0 0 436.228 3.636 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc(S(C)(=O)=O)c2)cs1 ZINC000012635515 526580091 /nfs/dbraw/zinc/58/00/91/526580091.db2.gz GWUDPPAERHTMSW-UHFFFAOYSA-N 0 0 427.551 3.523 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1cc(-n2ccnc2C)nc(C)n1 ZINC000035598158 526602456 /nfs/dbraw/zinc/60/24/56/526602456.db2.gz QBSUJCLTKLJDLS-UHFFFAOYSA-N 0 0 433.541 3.553 50 0 IHAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000035527015 526635812 /nfs/dbraw/zinc/63/58/12/526635812.db2.gz YLJHVPLULSHPOG-UHFFFAOYSA-N 0 0 448.267 3.807 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021049496 526661278 /nfs/dbraw/zinc/66/12/78/526661278.db2.gz UCWCQQAZOMPSBO-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCc2c(Cl)cccc2C1 ZINC000012760256 526665064 /nfs/dbraw/zinc/66/50/64/526665064.db2.gz ALBMFAFUNZJNPP-UHFFFAOYSA-N 0 0 425.872 3.560 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnnn2Cc2cccs2)C1=O ZINC000012679603 526675673 /nfs/dbraw/zinc/67/56/73/526675673.db2.gz PPJPGHUBHQINMK-MRXNPFEDSA-N 0 0 447.973 3.750 50 0 IHAARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000035848298 526678237 /nfs/dbraw/zinc/67/82/37/526678237.db2.gz YMMCMGWBBRTWFX-MKXGPGLRSA-N 0 0 429.303 3.829 50 0 IHAARN Cc1noc2ncnc(N3CCC(C(=O)Nc4ccc(Br)cc4F)CC3)c12 ZINC000020944665 526688185 /nfs/dbraw/zinc/68/81/85/526688185.db2.gz WYKXJTQHSYWGPU-UHFFFAOYSA-N 0 0 434.269 3.683 50 0 IHAARN O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012791726 526691938 /nfs/dbraw/zinc/69/19/38/526691938.db2.gz RDDDYTBEUNBNJV-UHFFFAOYSA-N 0 0 436.936 3.505 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035513203 526698990 /nfs/dbraw/zinc/69/89/90/526698990.db2.gz IQCDRBLNVBVMJH-GOSISDBHSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1 ZINC000036002742 526701937 /nfs/dbraw/zinc/70/19/37/526701937.db2.gz KTYBPILFMSTEJY-UHFFFAOYSA-N 0 0 434.471 3.932 50 0 IHAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000022015354 526707654 /nfs/dbraw/zinc/70/76/54/526707654.db2.gz LIRSOORWYOZNGC-MRXNPFEDSA-N 0 0 425.510 3.728 50 0 IHAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012525903 526721464 /nfs/dbraw/zinc/72/14/64/526721464.db2.gz GFMNYGJQBVTXPB-UHFFFAOYSA-N 0 0 449.532 3.766 50 0 IHAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000023947178 526736781 /nfs/dbraw/zinc/73/67/81/526736781.db2.gz SEGQBQKQYJXPPM-KRWDZBQOSA-N 0 0 435.480 3.567 50 0 IHAARN O=C(c1cccc(Br)n1)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000022642558 526752089 /nfs/dbraw/zinc/75/20/89/526752089.db2.gz ODNKEIBNXPYFJN-CQSZACIVSA-N 0 0 445.235 3.783 50 0 IHAARN Cc1oc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c2c1c(C)n[nH]c2=O ZINC000022725520 526776485 /nfs/dbraw/zinc/77/64/85/526776485.db2.gz MNNOIGDXNZCPHP-UHFFFAOYSA-N 0 0 445.551 3.840 50 0 IHAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000022240676 526782320 /nfs/dbraw/zinc/78/23/20/526782320.db2.gz JWILFELCOQSUML-UHFFFAOYSA-N 0 0 442.972 3.854 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012858363 526801539 /nfs/dbraw/zinc/80/15/39/526801539.db2.gz RSRYFZIYMGLITM-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000021730934 526822604 /nfs/dbraw/zinc/82/26/04/526822604.db2.gz HMBYBKHFQWWGNA-UHFFFAOYSA-N 0 0 425.897 3.735 50 0 IHAARN O=C(CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021708904 526826335 /nfs/dbraw/zinc/82/63/35/526826335.db2.gz ZBWLWYXVSVYASN-GOSISDBHSA-N 0 0 431.414 3.685 50 0 IHAARN O=C(CN1c2ccccc2-n2cccc2SCC1=O)NCCc1ccccc1Cl ZINC000021088742 526826555 /nfs/dbraw/zinc/82/65/55/526826555.db2.gz RKKABVXIGGAUQJ-UHFFFAOYSA-N 0 0 425.941 3.928 50 0 IHAARN O=C(CN1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O)Nc1ccccc1 ZINC000020573865 526828739 /nfs/dbraw/zinc/82/87/39/526828739.db2.gz RDWOSEQGLNUUME-XMMPIXPASA-N 0 0 429.501 3.605 50 0 IHAARN O=C(c1cn(CN2CCOCC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020647407 526864629 /nfs/dbraw/zinc/86/46/29/526864629.db2.gz MXPPVAUJYHKUNL-UHFFFAOYSA-N 0 0 438.959 3.547 50 0 IHAARN O=C(CNC(=S)N(Cc1ccccc1)Cc1cccnc1)NCc1ccccc1Cl ZINC000020678633 526875374 /nfs/dbraw/zinc/87/53/74/526875374.db2.gz AEZRFCLIVIQAQW-UHFFFAOYSA-N 0 0 438.984 3.928 50 0 IHAARN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000042380113 526888532 /nfs/dbraw/zinc/88/85/32/526888532.db2.gz JVKRRHWKOBXGNT-OAHLLOKOSA-N 0 0 434.500 3.945 50 0 IHAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012823705 526900251 /nfs/dbraw/zinc/90/02/51/526900251.db2.gz RLJZHWFDZUDXSP-UHFFFAOYSA-N 0 0 447.969 3.610 50 0 IHAARN NC(=O)CSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000035349167 526900937 /nfs/dbraw/zinc/90/09/37/526900937.db2.gz LZQXPZRORUVDLV-OAQYLSRUSA-N 0 0 443.619 3.973 50 0 IHAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c(F)c1 ZINC000022715647 526906884 /nfs/dbraw/zinc/90/68/84/526906884.db2.gz HVBSXDZHUWXVQF-UHFFFAOYSA-N 0 0 443.372 3.777 50 0 IHAARN O=C(COC(=O)c1ccc(Cl)nc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000012794260 526914256 /nfs/dbraw/zinc/91/42/56/526914256.db2.gz YEXHFOKXMPREIN-UHFFFAOYSA-N 0 0 444.896 3.958 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035723492 526951937 /nfs/dbraw/zinc/95/19/37/526951937.db2.gz RPULLYDMJFSRCB-QGZVFWFLSA-N 0 0 442.928 3.867 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000065032098 526953620 /nfs/dbraw/zinc/95/36/20/526953620.db2.gz BNMILWMZDDTLHK-UHFFFAOYSA-N 0 0 442.990 3.661 50 0 IHAARN NC(=O)[C@@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000022460937 526957778 /nfs/dbraw/zinc/95/77/78/526957778.db2.gz OUVSRRXQJFVBRA-INIZCTEOSA-N 0 0 441.837 3.740 50 0 IHAARN O=C(COc1ccc(Nc2ccccc2)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012691234 526965048 /nfs/dbraw/zinc/96/50/48/526965048.db2.gz BRQOPGNYZOMDAY-UHFFFAOYSA-N 0 0 437.521 3.888 50 0 IHAARN O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000013007041 526979432 /nfs/dbraw/zinc/97/94/32/526979432.db2.gz ZCYCIFAHTFHKAI-UHFFFAOYSA-N 0 0 443.750 3.708 50 0 IHAARN O=C(COc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000012860657 526988877 /nfs/dbraw/zinc/98/88/77/526988877.db2.gz WZFSWHOMZOZDJQ-UHFFFAOYSA-N 0 0 432.495 3.780 50 0 IHAARN Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)sc1-c1nccn1C ZINC000012575752 526995259 /nfs/dbraw/zinc/99/52/59/526995259.db2.gz XSMYJROFHPMIKI-UHFFFAOYSA-N 0 0 440.916 3.612 50 0 IHAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCS(=O)(=O)c1ccccc1 ZINC000012232704 527023181 /nfs/dbraw/zinc/02/31/81/527023181.db2.gz MGBMIHBMKZUZJL-UHFFFAOYSA-N 0 0 428.535 3.707 50 0 IHAARN Cn1c(=O)c2c(nc1SC[C@H](O)COCc1ccccc1Cl)sc1c2CCC1 ZINC000014251001 527025693 /nfs/dbraw/zinc/02/56/93/527025693.db2.gz RICDFPWOIMCXJN-CYBMUJFWSA-N 0 0 436.986 3.807 50 0 IHAARN O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1Cc1ccccc1 ZINC000033320877 527025948 /nfs/dbraw/zinc/02/59/48/527025948.db2.gz FGVHBRLHTGPBOR-YADHBBJMSA-N 0 0 441.531 3.992 50 0 IHAARN Cn1c(CCNC(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)nc2ccccc21 ZINC000011972475 527048690 /nfs/dbraw/zinc/04/86/90/527048690.db2.gz WGXNKHBEFYTHOY-XMMPIXPASA-N 0 0 438.959 3.557 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1ccc(F)cc1F ZINC000017189944 527057799 /nfs/dbraw/zinc/05/77/99/527057799.db2.gz YSIYQVKGPIUHNS-UHFFFAOYSA-N 0 0 445.516 3.949 50 0 IHAARN Cc1nc([C@H](C)NC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCCC3)c2=O)cs1 ZINC000012333213 527062786 /nfs/dbraw/zinc/06/27/86/527062786.db2.gz DPMSKUBTNRXHRL-INIZCTEOSA-N 0 0 444.601 3.776 50 0 IHAARN O=C(CSc1ncnc2nc(N3CCSCC3)sc21)Nc1ccc(F)cc1F ZINC000035532851 527073391 /nfs/dbraw/zinc/07/33/91/527073391.db2.gz HXEYEZCCPAISSN-UHFFFAOYSA-N 0 0 439.538 3.649 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 ZINC000008825790 527081108 /nfs/dbraw/zinc/08/11/08/527081108.db2.gz UFKAUCINBWMLCY-OAHLLOKOSA-N 0 0 440.550 3.655 50 0 IHAARN O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccc2c(c1)OCO2 ZINC000015882720 527086458 /nfs/dbraw/zinc/08/64/58/527086458.db2.gz YDEBADZNWGRDKI-UHFFFAOYSA-N 0 0 429.483 3.642 50 0 IHAARN O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21)NCc1ccccc1 ZINC000033284432 527090138 /nfs/dbraw/zinc/09/01/38/527090138.db2.gz SZUJHGYFUVHIGA-UHFFFAOYSA-N 0 0 435.484 3.529 50 0 IHAARN Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990621 527099398 /nfs/dbraw/zinc/09/93/98/527099398.db2.gz ONNGVVMBJFNXPE-UHFFFAOYSA-N 0 0 432.915 3.740 50 0 IHAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCc2c(Cl)cccc2C1 ZINC000012443785 527100531 /nfs/dbraw/zinc/10/05/31/527100531.db2.gz WGDMJJCERRTOGZ-XMMPIXPASA-N 0 0 447.966 3.769 50 0 IHAARN Cn1c2nc(SCCCc3ccccc3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000012373955 527122853 /nfs/dbraw/zinc/12/28/53/527122853.db2.gz YPQVRJJQPRKZKF-UHFFFAOYSA-N 0 0 434.565 3.781 50 0 IHAARN Cn1c2nc(Oc3ccc(Cl)cc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000012427891 527123670 /nfs/dbraw/zinc/12/36/70/527123670.db2.gz QTSWDEHXUINAMX-UHFFFAOYSA-N 0 0 431.279 3.581 50 0 IHAARN Cn1c2nnc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2c2ccsc2c1=O ZINC000020530588 527126956 /nfs/dbraw/zinc/12/69/56/527126956.db2.gz UVEMWTHCUBXACQ-UHFFFAOYSA-N 0 0 435.431 3.623 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 ZINC000020219619 527138493 /nfs/dbraw/zinc/13/84/93/527138493.db2.gz RAZQWDWTVSGIHY-OAQYLSRUSA-N 0 0 438.911 3.714 50 0 IHAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023908478 527160449 /nfs/dbraw/zinc/16/04/49/527160449.db2.gz XJZRJCNPKOJPQJ-UHFFFAOYSA-N 0 0 425.579 3.731 50 0 IHAARN Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000021916919 527181121 /nfs/dbraw/zinc/18/11/21/527181121.db2.gz WHHBZZUSICIAHH-UHFFFAOYSA-N 0 0 442.519 3.865 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl ZINC000016107439 527204069 /nfs/dbraw/zinc/20/40/69/527204069.db2.gz WWFKHCHALDNMML-LJQANCHMSA-N 0 0 443.935 3.526 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000035510835 527234962 /nfs/dbraw/zinc/23/49/62/527234962.db2.gz GSHXKCWZKDXADP-UHFFFAOYSA-N 0 0 430.892 3.751 50 0 IHAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Cl)s1)CC2)c1ccccn1 ZINC000015075138 527279150 /nfs/dbraw/zinc/27/91/50/527279150.db2.gz XSWYYBYEVHQTAE-UHFFFAOYSA-N 0 0 433.942 3.796 50 0 IHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000020961875 527281379 /nfs/dbraw/zinc/28/13/79/527281379.db2.gz RFEFYXZFGOGSQP-UHFFFAOYSA-N 0 0 432.549 3.532 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492414 527284216 /nfs/dbraw/zinc/28/42/16/527284216.db2.gz ATDXSBSWVAAMAK-UHFFFAOYSA-N 0 0 434.471 3.909 50 0 IHAARN O=S1(=O)CC[C@H](Cc2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)o2)C1 ZINC000021624755 527312226 /nfs/dbraw/zinc/31/22/26/527312226.db2.gz FKPBDNVBAXVVCY-LLVKDONJSA-N 0 0 425.919 3.648 50 0 IHAARN Cc1ncc2c(c1CNC(=O)c1ccco1)CCN(C(=O)CCc1c[nH]c3ccccc13)C2 ZINC000012132005 527317450 /nfs/dbraw/zinc/31/74/50/527317450.db2.gz ICEPYOOSDVECCU-UHFFFAOYSA-N 0 0 442.519 3.912 50 0 IHAARN Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)c1ccc(N(C)C)cc1)C2 ZINC000011973589 527317799 /nfs/dbraw/zinc/31/77/99/527317799.db2.gz GHKUNALWBNDNAI-UHFFFAOYSA-N 0 0 434.565 3.646 50 0 IHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 ZINC000033267530 527331872 /nfs/dbraw/zinc/33/18/72/527331872.db2.gz FXYSUKRCMQCSJG-UHFFFAOYSA-N 0 0 434.393 3.788 50 0 IHAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015639327 527335372 /nfs/dbraw/zinc/33/53/72/527335372.db2.gz CWSXSFWCFDBZLX-MRXNPFEDSA-N 0 0 427.551 3.962 50 0 IHAARN O=C(Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1)NCc1ccc(Cl)cc1 ZINC000012550266 527343114 /nfs/dbraw/zinc/34/31/14/527343114.db2.gz HFOMJSGAOCRUJY-HXUWFJFHSA-N 0 0 449.938 3.989 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccc(F)cc1 ZINC000012376464 527350908 /nfs/dbraw/zinc/35/09/08/527350908.db2.gz AJWDAMKOZTXGIF-UHFFFAOYSA-N 0 0 429.451 3.709 50 0 biogenic,in-vitro IHAARN O=C(Cn1c(=O)cnc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000015099171 527352958 /nfs/dbraw/zinc/35/29/58/527352958.db2.gz UBWWXPXOYVHXAK-UHFFFAOYSA-N 0 0 435.487 3.566 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc(F)cc1 ZINC000012140719 527357850 /nfs/dbraw/zinc/35/78/50/527357850.db2.gz LCJJHCXDTMWIOM-UHFFFAOYSA-N 0 0 429.407 3.676 50 0 IHAARN O=C(Cn1cc(Br)ccc1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012935576 527364718 /nfs/dbraw/zinc/36/47/18/527364718.db2.gz FUBRIWROFWEZCT-UHFFFAOYSA-N 0 0 425.326 3.949 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2ccc(F)cc21)NCc1ccc(Cl)cc1 ZINC000035535312 527366015 /nfs/dbraw/zinc/36/60/15/527366015.db2.gz FFEHBMXBNWDDKJ-UHFFFAOYSA-N 0 0 449.869 3.736 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)NCc1ccco1 ZINC000020532939 527370262 /nfs/dbraw/zinc/37/02/62/527370262.db2.gz BUHYEJBFZISCRC-UHFFFAOYSA-N 0 0 426.469 3.664 50 0 IHAARN O=C(Cn1ccc2c1cccc2Cl)NCCSCc1nc2ccccc2c(=O)[nH]1 ZINC000035686384 527379946 /nfs/dbraw/zinc/37/99/46/527379946.db2.gz BAGPSTLLNQNCHJ-UHFFFAOYSA-N 0 0 426.929 3.581 50 0 IHAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)NCCc3ccccc3)CC2)s1 ZINC000033273100 527399783 /nfs/dbraw/zinc/39/97/83/527399783.db2.gz WSLOBZXAILYJQP-UHFFFAOYSA-N 0 0 435.553 3.922 50 0 IHAARN O=C(Nc1ccccc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022699689 527407466 /nfs/dbraw/zinc/40/74/66/527407466.db2.gz SMTQILZYWUVTPZ-UHFFFAOYSA-N 0 0 427.504 3.974 50 0 IHAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccccc1OC(F)(F)F ZINC000263615097 527454504 /nfs/dbraw/zinc/45/45/04/527454504.db2.gz ANHDXVGZSWCTJC-UHFFFAOYSA-N 0 0 433.361 3.741 50 0 IHAARN O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013007150 527495819 /nfs/dbraw/zinc/49/58/19/527495819.db2.gz VNFDOKWXSADPTK-NCWDGNTMSA-N 0 0 435.568 3.725 50 0 IHAARN O=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000033126034 527511932 /nfs/dbraw/zinc/51/19/32/527511932.db2.gz LCOSYJGKBTYLDB-UHFFFAOYSA-N 0 0 445.988 3.902 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000035990211 527524172 /nfs/dbraw/zinc/52/41/72/527524172.db2.gz BMMJPPBIPZTGJW-UHFFFAOYSA-N 0 0 444.514 3.842 50 0 IHAARN O=C(Nc1nnc(SCc2cc(=O)n3nc(C4CC4)sc3n2)s1)C1CCCCC1 ZINC000020983909 527535850 /nfs/dbraw/zinc/53/58/50/527535850.db2.gz GBPIXNIRQOTZLO-UHFFFAOYSA-N 0 0 448.599 3.691 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000016175763 527537371 /nfs/dbraw/zinc/53/73/71/527537371.db2.gz BXTRKMKGPONCIO-AKNQKSQZSA-N 0 0 430.552 3.692 50 0 IHAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)sc21 ZINC000020616172 527551102 /nfs/dbraw/zinc/55/11/02/527551102.db2.gz QXMGCZQJCPDVNJ-UHFFFAOYSA-N 0 0 426.439 3.751 50 0 IHAARN O=C(/C=C/c1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012796387 527633347 /nfs/dbraw/zinc/63/33/47/527633347.db2.gz TYQGPHRSGDIPCH-ZHACJKMWSA-N 0 0 435.343 3.886 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C(C)C)CCC3 ZINC000012760330 527647851 /nfs/dbraw/zinc/64/78/51/527647851.db2.gz WBVAHMATKITCCU-UHFFFAOYSA-N 0 0 431.587 3.609 50 0 IHAARN CCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c2cc(OC)c(OC)cc2c1=O ZINC000004763091 536027669 /nfs/dbraw/zinc/02/76/69/536027669.db2.gz XZWCAAFLNPHGAE-GOSISDBHSA-N 0 0 449.551 3.698 50 0 IHAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(F)c3)CC2)c2ccccc2O1 ZINC000006846894 536116732 /nfs/dbraw/zinc/11/67/32/536116732.db2.gz DVRRCBNGKROZJI-FQEVSTJZSA-N 0 0 425.504 3.952 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)CCC(=O)N1CCOc2ccc(C)cc21 ZINC000009287084 536637549 /nfs/dbraw/zinc/63/75/49/536637549.db2.gz CJUQDTQSBLFQNQ-UHFFFAOYSA-N 0 0 447.329 3.588 50 0 IHAARN COC(=O)c1ccc(CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000009441823 536687151 /nfs/dbraw/zinc/68/71/51/536687151.db2.gz PKQOZQOXLNNVDF-UHFFFAOYSA-N 0 0 438.553 3.628 50 0 IHAARN COc1ccc2c(c1)[C@H]1NC(=S)N(c3ccc(Cl)cc3)[C@@](C)(O2)[C@@H]1C(=O)N(C)C ZINC000002963058 537011906 /nfs/dbraw/zinc/01/19/06/537011906.db2.gz KRMREBSOPQCLBS-UEXGIBASSA-N 0 0 431.945 3.597 50 0 IHAARN COc1cccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)n2)c1 ZINC000009056309 537069708 /nfs/dbraw/zinc/06/97/08/537069708.db2.gz PUIHHEJUNHPEPO-NRFANRHFSA-N 0 0 427.464 3.516 50 0 IHAARN COc1ccccc1N1CCN(c2nc3nccnc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000009074053 537072468 /nfs/dbraw/zinc/07/24/68/537072468.db2.gz XPWYHHWOEMENLC-UHFFFAOYSA-N 0 0 431.475 3.638 50 0 IHAARN COc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3cccc(C)c3)o2)c(OC)c1 ZINC000009115388 555507042 /nfs/dbraw/zinc/50/70/42/555507042.db2.gz UBNUFDMBJXPCGW-SSEXGKCCSA-N 0 0 427.522 3.886 50 0 IHAARN COc1cc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)ccc1OCCC(C)C ZINC000000632331 555515477 /nfs/dbraw/zinc/51/54/77/555515477.db2.gz QDMLZJRZPWRMEW-LDADJPATSA-N 0 0 427.551 3.861 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000000646122 555520795 /nfs/dbraw/zinc/52/07/95/555520795.db2.gz AUGIVSDYNQWPBK-FQEVSTJZSA-N 0 0 440.546 3.705 50 0 biogenic,in-vitro IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000655877 555524829 /nfs/dbraw/zinc/52/48/29/555524829.db2.gz IZTBYZSDUIMTLV-INIZCTEOSA-N 0 0 429.325 3.794 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000660965 555526770 /nfs/dbraw/zinc/52/67/70/555526770.db2.gz KAVJMQQXIRICIN-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CCOc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000665762 555528369 /nfs/dbraw/zinc/52/83/69/555528369.db2.gz GVORRIHPGDYBKU-UHFFFAOYSA-N 0 0 445.928 3.968 50 0 IHAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000684336 555539160 /nfs/dbraw/zinc/53/91/60/555539160.db2.gz HJKOUXFWQKALBS-FQEVSTJZSA-N 0 0 436.493 3.881 50 0 IHAARN Cc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000000686580 555539838 /nfs/dbraw/zinc/53/98/38/555539838.db2.gz NQMQTTLVDLRHHP-UHFFFAOYSA-N 0 0 449.985 3.668 50 0 IHAARN COC(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)ccc1Cl ZINC000000687355 555540385 /nfs/dbraw/zinc/54/03/85/555540385.db2.gz FXVGETBYGLBXOB-UHFFFAOYSA-N 0 0 430.917 3.961 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000000702256 555542865 /nfs/dbraw/zinc/54/28/65/555542865.db2.gz XISOCZAHLQJLEH-GOSISDBHSA-N 0 0 432.542 3.666 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000708942 555545704 /nfs/dbraw/zinc/54/57/04/555545704.db2.gz FNFWOBBLRJIJDA-FQEVSTJZSA-N 0 0 427.526 3.534 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000000712640 555547762 /nfs/dbraw/zinc/54/77/62/555547762.db2.gz DASXGRFLWVXOHQ-YKUCYRFJSA-N 0 0 443.474 3.995 50 0 IHAARN Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1NC(=O)COc1ccccc1 ZINC000000716033 555548529 /nfs/dbraw/zinc/54/85/29/555548529.db2.gz QYWBEXVAVOJYOI-UHFFFAOYSA-N 0 0 429.476 3.741 50 0 IHAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(I)o1 ZINC000000724246 555550793 /nfs/dbraw/zinc/55/07/93/555550793.db2.gz NXWKGUROGVGIGF-UHFFFAOYSA-N 0 0 430.205 3.870 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000729904 555552551 /nfs/dbraw/zinc/55/25/51/555552551.db2.gz ZJVGYVYPFUIJEK-QGZVFWFLSA-N 0 0 428.510 3.801 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000729905 555552574 /nfs/dbraw/zinc/55/25/74/555552574.db2.gz ZJVGYVYPFUIJEK-KRWDZBQOSA-N 0 0 428.510 3.801 50 0 IHAARN Cc1cccc(OCC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000000779544 555554539 /nfs/dbraw/zinc/55/45/39/555554539.db2.gz IQUXAKGGSUDROU-UHFFFAOYSA-N 0 0 428.532 3.877 50 0 IHAARN COc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000000835659 555566915 /nfs/dbraw/zinc/56/69/15/555566915.db2.gz ZGNWKRLGYCHTLT-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN C[C@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2C(N)=O)C1 ZINC000000869797 555575011 /nfs/dbraw/zinc/57/50/11/555575011.db2.gz HQVYCWCQMGGHNJ-JTQLQIEISA-N 0 0 440.491 3.705 50 0 IHAARN COc1ccccc1CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000879283 555576806 /nfs/dbraw/zinc/57/68/06/555576806.db2.gz PPDUXKSORZQXKV-UHFFFAOYSA-N 0 0 444.940 3.860 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C ZINC000000890117 555579475 /nfs/dbraw/zinc/57/94/75/555579475.db2.gz NANXZWTYLBGUPJ-UHFFFAOYSA-N 0 0 448.932 3.892 50 0 IHAARN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1cccc(Cl)c1 ZINC000000915380 555583116 /nfs/dbraw/zinc/58/31/16/555583116.db2.gz FRKDHMHHPPJIPQ-KRWDZBQOSA-N 0 0 429.933 3.903 50 0 IHAARN Cc1ccc(CN(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000920775 555584691 /nfs/dbraw/zinc/58/46/91/555584691.db2.gz LRLDYQQESLCWMS-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN COc1cccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 ZINC000009631698 555585355 /nfs/dbraw/zinc/58/53/55/555585355.db2.gz CNKORWQLWDHHJJ-JLHYYAGUSA-N 0 0 444.553 3.920 50 0 IHAARN CCOc1ccc(C(=O)COC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000009634189 555585366 /nfs/dbraw/zinc/58/53/66/555585366.db2.gz VDZQLMDHSUOXIZ-QNGOZBTKSA-N 0 0 444.447 3.756 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCc1nc2ccsc2c(=O)[nH]1 ZINC000009671602 555586851 /nfs/dbraw/zinc/58/68/51/555586851.db2.gz GAYLSMMCMBZLNF-BQYQJAHWSA-N 0 0 440.912 3.948 50 0 IHAARN O=C1c2sc3nnc(-c4ccccc4)c(=O)n3c2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000946913 555588229 /nfs/dbraw/zinc/58/82/29/555588229.db2.gz WWNVNOVMZZKZEE-UHFFFAOYSA-N 0 0 443.271 3.925 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(COc2ccccc2)o1 ZINC000009590641 555592327 /nfs/dbraw/zinc/59/23/27/555592327.db2.gz XWINYOCPGSJFDD-UHFFFAOYSA-N 0 0 436.464 3.731 50 0 IHAARN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000000977653 555592605 /nfs/dbraw/zinc/59/26/05/555592605.db2.gz UHOGIPCLCLAUDS-UHFFFAOYSA-N 0 0 431.521 3.875 50 0 IHAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(=O)OC)c1C ZINC000000996217 555598636 /nfs/dbraw/zinc/59/86/36/555598636.db2.gz QNFCWISMPWSZTO-CSKARUKUSA-N 0 0 444.509 3.706 50 0 IHAARN CSc1nccc(-c2ccc(S(=O)(=O)n3nc(C)c(Br)c3C)s2)n1 ZINC000001038198 555609041 /nfs/dbraw/zinc/60/90/41/555609041.db2.gz RGKIPPTUVGBBQM-UHFFFAOYSA-N 0 0 445.389 3.740 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1cc2ccccc2oc1=O ZINC000001053551 555613934 /nfs/dbraw/zinc/61/39/34/555613934.db2.gz UJUPOYXFZFUIGY-UHFFFAOYSA-N 0 0 446.484 3.797 50 0 IHAARN COc1ccc(C(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1 ZINC000001058702 555615360 /nfs/dbraw/zinc/61/53/60/555615360.db2.gz TYXCBPBRGJTDII-FQEVSTJZSA-N 0 0 438.553 3.926 50 0 IHAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccn1 ZINC000001063395 555617214 /nfs/dbraw/zinc/61/72/14/555617214.db2.gz CMOGHUIKHQDFBH-QFIPXVFZSA-N 0 0 437.293 3.852 50 0 IHAARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001072540 555621803 /nfs/dbraw/zinc/62/18/03/555621803.db2.gz ZCKPIRWBGMZCKM-LLVKDONJSA-N 0 0 440.668 3.936 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000001074880 555623730 /nfs/dbraw/zinc/62/37/30/555623730.db2.gz YHOJLUSZGPEAAF-IBGZPJMESA-N 0 0 441.532 3.812 50 0 IHAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000001084365 555626245 /nfs/dbraw/zinc/62/62/45/555626245.db2.gz YSLLEUCEDWHCAM-OAHLLOKOSA-N 0 0 444.553 3.562 50 0 IHAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)cc1 ZINC000001093349 555627598 /nfs/dbraw/zinc/62/75/98/555627598.db2.gz ZPOHHNZHTBGPNJ-MDZDMXLPSA-N 0 0 433.493 3.857 50 0 IHAARN COc1ccc(N2C(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001104360 555629021 /nfs/dbraw/zinc/62/90/21/555629021.db2.gz XLUBJAPNKGPJRX-IRXDYDNUSA-N 0 0 443.377 3.779 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 ZINC000001111764 555632033 /nfs/dbraw/zinc/63/20/33/555632033.db2.gz CBDXJOIADYDBPN-SFHVURJKSA-N 0 0 440.301 3.977 50 0 IHAARN Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001115503 555634183 /nfs/dbraw/zinc/63/41/83/555634183.db2.gz PEPHYGUHNFHDPS-UHFFFAOYSA-N 0 0 434.443 3.873 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000001116080 555634519 /nfs/dbraw/zinc/63/45/19/555634519.db2.gz YNBMXCUQCBYKHQ-NSHDSACASA-N 0 0 438.274 3.659 50 0 IHAARN O=C(CSc1ncc(-c2ccccc2)nn1)Nc1ccc(I)cc1 ZINC000001117027 555634985 /nfs/dbraw/zinc/63/49/85/555634985.db2.gz LLGFUJRGYGBBEK-UHFFFAOYSA-N 0 0 448.289 3.874 50 0 IHAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC2CCCCC2)s1 ZINC000001119834 555636956 /nfs/dbraw/zinc/63/69/56/555636956.db2.gz JLXFPQZVJKQUPR-UHFFFAOYSA-N 0 0 428.601 3.823 50 0 IHAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000001129441 555643343 /nfs/dbraw/zinc/64/33/43/555643343.db2.gz WZTDMPNTWIOHJO-UHFFFAOYSA-N 0 0 437.569 3.884 50 0 IHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1)c1ccccc1 ZINC000001139462 555649104 /nfs/dbraw/zinc/64/91/04/555649104.db2.gz GGFMLJSWVJEBFY-GOSISDBHSA-N 0 0 430.570 3.944 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000001149299 555655511 /nfs/dbraw/zinc/65/55/11/555655511.db2.gz TVMDAJCJNJEHIN-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN Cc1ccccc1CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000001150009 555655867 /nfs/dbraw/zinc/65/58/67/555655867.db2.gz JLTWIHYGMGCYGK-UHFFFAOYSA-N 0 0 434.867 3.750 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1C ZINC000001154123 555657878 /nfs/dbraw/zinc/65/78/78/555657878.db2.gz GYTWMVOJMAZIGN-INIZCTEOSA-N 0 0 430.298 3.845 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1 ZINC000001154932 555658447 /nfs/dbraw/zinc/65/84/47/555658447.db2.gz AQQAAXKIOJTREQ-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccnc1 ZINC000001172385 555667606 /nfs/dbraw/zinc/66/76/06/555667606.db2.gz VLKVXVMMQDLUHC-UHFFFAOYSA-N 0 0 435.427 3.934 50 0 IHAARN Cc1cc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)ccc1Br ZINC000001174070 555668681 /nfs/dbraw/zinc/66/86/81/555668681.db2.gz PGXKGPYENBCALY-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br ZINC000001201682 555678770 /nfs/dbraw/zinc/67/87/70/555678770.db2.gz MTUUATPIKDUIFF-KRWDZBQOSA-N 0 0 432.343 3.889 50 0 IHAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001206422 555680643 /nfs/dbraw/zinc/68/06/43/555680643.db2.gz XRCYHIDUXVJCNB-KRXBUXKQSA-N 0 0 441.336 3.666 50 0 IHAARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl ZINC000001232153 555686814 /nfs/dbraw/zinc/68/68/14/555686814.db2.gz XCGIKTGYTJPUEV-HNNXBMFYSA-N 0 0 432.760 3.734 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)N(Cc2ccc(OC)cc2)C1=S ZINC000001421164 555695338 /nfs/dbraw/zinc/69/53/38/555695338.db2.gz QRSLOMASTLLSSD-SFHVURJKSA-N 0 0 431.945 3.695 50 0 IHAARN CCOC(=O)C1=C(CNc2ccc(C)c(Cl)c2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001422880 555695518 /nfs/dbraw/zinc/69/55/18/555695518.db2.gz QGBIPJSKHPRBEM-FQEVSTJZSA-N 0 0 443.887 3.660 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001445255 555698773 /nfs/dbraw/zinc/69/87/73/555698773.db2.gz ISYCNOSGSXTLSM-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC ZINC000001459554 555700268 /nfs/dbraw/zinc/70/02/68/555700268.db2.gz ZEYQSTOJCRTLIQ-UHFFFAOYSA-N 0 0 441.455 3.556 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)o1)CCCC2 ZINC000001825038 555718833 /nfs/dbraw/zinc/71/88/33/555718833.db2.gz JNMRMWVDZKQKRT-UHFFFAOYSA-N 0 0 444.538 3.979 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002188661 555755867 /nfs/dbraw/zinc/75/58/67/555755867.db2.gz YEJRAHWZXXKOQR-GOSISDBHSA-N 0 0 434.945 3.682 50 0 aggregator,biogenic IHAARN CCCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000002191462 555756444 /nfs/dbraw/zinc/75/64/44/555756444.db2.gz QPCLUIINWHWCRO-UHFFFAOYSA-N 0 0 444.597 3.869 50 0 IHAARN COc1ccc(CNC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc32)cc1 ZINC000002394745 555775421 /nfs/dbraw/zinc/77/54/21/555775421.db2.gz SMZHXYZYJLFZIF-UHFFFAOYSA-N 0 0 427.464 3.747 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccccc1OC ZINC000002450788 555781472 /nfs/dbraw/zinc/78/14/72/555781472.db2.gz APRZXXKKYSTHDX-UHFFFAOYSA-N 0 0 428.514 3.722 50 0 IHAARN CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1 ZINC000002595211 555789885 /nfs/dbraw/zinc/78/98/85/555789885.db2.gz AZTSYTGQLTXUKG-HXUWFJFHSA-N 0 0 441.450 3.737 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3cccc(C)c3)c2c(=O)n(C2CCCC2)c1=O ZINC000034693013 555805882 /nfs/dbraw/zinc/80/58/82/555805882.db2.gz VNLBTAUHYMXDOY-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COCCn1c(=O)c2c(ncn2Cc2cccc(C)c2)n(-c2cccc3ccccc32)c1=O ZINC000034693176 555806224 /nfs/dbraw/zinc/80/62/24/555806224.db2.gz REUKCSXHWOFHST-UHFFFAOYSA-N 0 0 440.503 3.505 50 0 IHAARN COc1cccc(-n2c3ncn(Cc4ccccc4C)c3c(=O)n(C3CCCC3)c2=O)c1 ZINC000034693336 555806503 /nfs/dbraw/zinc/80/65/03/555806503.db2.gz YLTHYOJGJWBQLU-UHFFFAOYSA-N 0 0 430.508 3.829 50 0 IHAARN COCCNC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000002742402 555807638 /nfs/dbraw/zinc/80/76/38/555807638.db2.gz PTPIWPFXPQTZAV-UHFFFAOYSA-N 0 0 443.223 3.554 50 0 IHAARN COC(=O)c1coc(COc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2OC)n1 ZINC000034680388 555813474 /nfs/dbraw/zinc/81/34/74/555813474.db2.gz FTVXEJBCLLTLDR-UHFFFAOYSA-N 0 0 425.372 3.905 50 0 IHAARN COc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)cc1 ZINC000034680776 555813713 /nfs/dbraw/zinc/81/37/13/555813713.db2.gz RMYWJZXENOJQED-UHFFFAOYSA-N 0 0 448.498 3.834 50 0 IHAARN O=C(NC(=S)Nc1cccc(O)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002779795 555819118 /nfs/dbraw/zinc/81/91/18/555819118.db2.gz NKIWUFZYCJDDPZ-UHFFFAOYSA-N 0 0 431.315 3.526 50 0 IHAARN O=C(NCCc1ccccn1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034708873 555823507 /nfs/dbraw/zinc/82/35/07/555823507.db2.gz XQCPYKBOBSECER-FCHUYYIVSA-N 0 0 431.511 3.826 50 0 IHAARN Cc1cc(C(F)(F)F)nn1CCC1N=NC(=S)N1c1cnn(Cc2ccccc2)c1 ZINC000002808314 555826976 /nfs/dbraw/zinc/82/69/76/555826976.db2.gz SPSFJIMTJKCAIY-UHFFFAOYSA-N 0 0 433.463 3.567 50 0 IHAARN CCCCOc1c(Br)cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000002819387 555829416 /nfs/dbraw/zinc/82/94/16/555829416.db2.gz YHFCZZIBKTVTLM-OAHLLOKOSA-N 0 0 443.363 3.602 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccncc1 ZINC000002837736 555833772 /nfs/dbraw/zinc/83/37/72/555833772.db2.gz NGZNTNUOGNREAT-UHFFFAOYSA-N 0 0 436.310 3.992 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000002840820 555835263 /nfs/dbraw/zinc/83/52/63/555835263.db2.gz VAFXIKOHUFCITO-GFCCVEGCSA-N 0 0 447.923 3.829 50 0 IHAARN COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002853943 555840788 /nfs/dbraw/zinc/84/07/88/555840788.db2.gz URDDHBKHPCJGME-NRFANRHFSA-N 0 0 435.476 3.778 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000002857151 555842343 /nfs/dbraw/zinc/84/23/43/555842343.db2.gz QDKWQOVHUQNINE-HSZRJFAPSA-N 0 0 436.489 3.713 50 0 aggregator IHAARN COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl ZINC000002858900 555843306 /nfs/dbraw/zinc/84/33/06/555843306.db2.gz JTHHUZKOHFEUHM-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C ZINC000002861702 555845146 /nfs/dbraw/zinc/84/51/46/555845146.db2.gz GTSSNNQOWQZXPP-UHFFFAOYSA-N 0 0 430.555 3.855 50 0 IHAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccncc3)n1N)oc1ccccc12 ZINC000002865612 555847103 /nfs/dbraw/zinc/84/71/03/555847103.db2.gz WVHXCNCWJBVSCE-UHFFFAOYSA-N 0 0 446.492 3.693 50 0 IHAARN CCN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002871246 555849679 /nfs/dbraw/zinc/84/96/79/555849679.db2.gz NRJUPFVEOIFWMV-UHFFFAOYSA-N 0 0 449.729 3.891 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(Cl)cc1 ZINC000002875443 555852019 /nfs/dbraw/zinc/85/20/19/555852019.db2.gz XUHPTFAXWBNLJW-UHFFFAOYSA-N 0 0 449.729 3.642 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccccc1F ZINC000002877086 555852989 /nfs/dbraw/zinc/85/29/89/555852989.db2.gz AVKATGIMDNTNDY-UHFFFAOYSA-N 0 0 441.532 3.966 50 0 IHAARN Cc1ccccc1CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000002879644 555854276 /nfs/dbraw/zinc/85/42/76/555854276.db2.gz COKDFFCUFZUTEN-UHFFFAOYSA-N 0 0 438.549 3.656 50 0 IHAARN CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002891247 555859898 /nfs/dbraw/zinc/85/98/98/555859898.db2.gz YVVHLGJGVZZAFM-UHFFFAOYSA-N 0 0 429.325 3.845 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000002962873 555868349 /nfs/dbraw/zinc/86/83/49/555868349.db2.gz PHHUZEWIXJLNOU-UHFFFAOYSA-N 0 0 436.961 3.865 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccccc2F)cc1 ZINC000002970904 555869369 /nfs/dbraw/zinc/86/93/69/555869369.db2.gz GBHSXJKRGOCIAB-UHFFFAOYSA-N 0 0 438.524 3.914 50 0 IHAARN COc1ccc(I)cc1S(=O)(=O)Oc1cccc2cccnc21 ZINC000002978401 555870569 /nfs/dbraw/zinc/87/05/69/555870569.db2.gz XRIURSODFNKUDE-UHFFFAOYSA-N 0 0 441.246 3.616 50 0 IHAARN Cc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002988143 555874618 /nfs/dbraw/zinc/87/46/18/555874618.db2.gz IFXURWDMBNEMPL-UHFFFAOYSA-N 0 0 438.590 3.977 50 0 IHAARN CCN(CC)C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002998753 555876951 /nfs/dbraw/zinc/87/69/51/555876951.db2.gz MHKAVFYJAOUDIR-UHFFFAOYSA-N 0 0 431.396 3.641 50 0 IHAARN COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccsc2)CC3)c1 ZINC000034755832 555901151 /nfs/dbraw/zinc/90/11/51/555901151.db2.gz IYWQBLVSXMEFTL-UHFFFAOYSA-N 0 0 438.553 3.734 50 0 IHAARN O=C(NCc1ccccc1F)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034830680 555911975 /nfs/dbraw/zinc/91/19/75/555911975.db2.gz LWQKDUYNUYMFKM-UHFFFAOYSA-N 0 0 446.404 3.627 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O ZINC000034830699 555911992 /nfs/dbraw/zinc/91/19/92/555911992.db2.gz GQNUMZMYINCSIR-FQEVSTJZSA-N 0 0 434.927 4.000 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccnc3)o1)CCCC2 ZINC000003285528 555913514 /nfs/dbraw/zinc/91/35/14/555913514.db2.gz SQVVLISXNDUVLY-UHFFFAOYSA-N 0 0 444.538 3.979 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NC3CC3)c3ccccc32)CC1 ZINC000034839006 555914856 /nfs/dbraw/zinc/91/48/56/555914856.db2.gz ZYDKQGWWAXEADZ-UHFFFAOYSA-N 0 0 437.931 3.511 50 0 IHAARN COCC(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034905612 555920057 /nfs/dbraw/zinc/92/00/57/555920057.db2.gz IVMJGLMTHHJJFE-UHFFFAOYSA-N 0 0 445.585 3.649 50 0 IHAARN CCNC(=O)NC1CCC(NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)CC1 ZINC000034906204 555920280 /nfs/dbraw/zinc/92/02/80/555920280.db2.gz BMACJCNHYQQNSR-UHFFFAOYSA-N 0 0 430.574 3.699 50 0 IHAARN CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034906216 555920417 /nfs/dbraw/zinc/92/04/17/555920417.db2.gz OIQUFDSNXKTGEE-MSOLQXFVSA-N 0 0 430.574 3.699 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003520351 555937928 /nfs/dbraw/zinc/93/79/28/555937928.db2.gz BHJSVSADIAKWKR-UHFFFAOYSA-N 0 0 441.871 3.726 50 0 IHAARN COc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1 ZINC000003858969 555949354 /nfs/dbraw/zinc/94/93/54/555949354.db2.gz XORDZCZUUCETFG-BILQUMLASA-N 0 0 445.456 3.894 50 0 IHAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004112343 555963445 /nfs/dbraw/zinc/96/34/45/555963445.db2.gz UTHOPROUGTUCHE-SMTRIPRVSA-N 0 0 432.557 3.927 50 0 IHAARN O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1I ZINC000004131928 555966605 /nfs/dbraw/zinc/96/66/05/555966605.db2.gz PHQZJXBSSPQZPK-UHFFFAOYSA-N 0 0 428.023 3.854 50 0 IHAARN COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)c1 ZINC000004176628 555973372 /nfs/dbraw/zinc/97/33/72/555973372.db2.gz RFUGRLRTEGYZPE-GOSISDBHSA-N 0 0 441.944 3.628 50 0 IHAARN COc1ccc(C(=O)COC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000004670424 556005982 /nfs/dbraw/zinc/00/59/82/556005982.db2.gz SZBIMARYEXFDCY-DRQCUQGNSA-N 0 0 427.541 3.778 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CC(C)C)cc1 ZINC000004738769 556009139 /nfs/dbraw/zinc/00/91/39/556009139.db2.gz NIRPXNYMEDFVSZ-FQEVSTJZSA-N 0 0 425.485 3.526 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSc2ccccn2)cc1 ZINC000006328238 556085289 /nfs/dbraw/zinc/08/52/89/556085289.db2.gz OQOMACJVOOVHQR-UHFFFAOYSA-N 0 0 441.578 3.570 50 0 IHAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21 ZINC000002372522 556085616 /nfs/dbraw/zinc/08/56/16/556085616.db2.gz KYJBVEQXLMTGFL-UHFFFAOYSA-N 0 0 431.496 3.515 50 0 IHAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000006461713 556090008 /nfs/dbraw/zinc/09/00/08/556090008.db2.gz MVWMWFCKIWZNRM-LJQANCHMSA-N 0 0 425.876 3.876 50 0 IHAARN Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@H]2CCCO2)c1C ZINC000018596568 556114423 /nfs/dbraw/zinc/11/44/23/556114423.db2.gz PYLCSIFIFKWVBA-IAGOWNOFSA-N 0 0 442.585 3.923 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc4c(c31)CCCC4)CCC2 ZINC000002680115 556118699 /nfs/dbraw/zinc/11/86/99/556118699.db2.gz VNHFEGPLUOWUCJ-UHFFFAOYSA-N 0 0 444.607 3.950 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1Cl ZINC000002695123 556121105 /nfs/dbraw/zinc/12/11/05/556121105.db2.gz OHCZJAXYBJMGQA-INIZCTEOSA-N 0 0 429.325 3.833 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C1 ZINC000002723444 556128768 /nfs/dbraw/zinc/12/87/68/556128768.db2.gz NJKFBDFKVDHPOO-AWEZNQCLSA-N 0 0 444.488 3.549 50 0 IHAARN O=C(COCC(=O)Nc1nc2c(cccc2F)s1)Nc1nc2c(cccc2F)s1 ZINC000002714035 556129430 /nfs/dbraw/zinc/12/94/30/556129430.db2.gz SMLHJZXZAKAYLO-UHFFFAOYSA-N 0 0 434.449 3.778 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c3ccccc3oc2c1=O ZINC000002713531 556129501 /nfs/dbraw/zinc/12/95/01/556129501.db2.gz WGTFIMUJFMQDSZ-UHFFFAOYSA-N 0 0 439.493 3.529 50 0 IHAARN Cc1ccccc1CN1CCc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000002716593 556131244 /nfs/dbraw/zinc/13/12/44/556131244.db2.gz RLGYUAGJYRJNGO-UHFFFAOYSA-N 0 0 444.487 3.940 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)CCn1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002782309 556138143 /nfs/dbraw/zinc/13/81/43/556138143.db2.gz IFAHDRQLPOOLRH-UHFFFAOYSA-N 0 0 434.260 3.921 50 0 IHAARN CCOC(=O)c1cc(C(=O)Nc2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)nn1C ZINC000002796366 556145587 /nfs/dbraw/zinc/14/55/87/556145587.db2.gz MJCXPYHMRIENRW-UHFFFAOYSA-N 0 0 449.433 3.730 50 0 IHAARN Cc1cc(C)nc(N(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(N)=O)n1 ZINC000002848535 556147821 /nfs/dbraw/zinc/14/78/21/556147821.db2.gz DBEXVIIXCRBPAO-UHFFFAOYSA-N 0 0 442.479 3.939 50 0 IHAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000003008809 556154848 /nfs/dbraw/zinc/15/48/48/556154848.db2.gz PWOYGVJMPNGSTJ-UHFFFAOYSA-N 0 0 431.901 3.605 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)cc1 ZINC000003009657 556155115 /nfs/dbraw/zinc/15/51/15/556155115.db2.gz ZVTCFTNUCFBTBD-UHFFFAOYSA-N 0 0 425.510 3.569 50 0 IHAARN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000008383813 556159701 /nfs/dbraw/zinc/15/97/01/556159701.db2.gz BDSQFHLOUREJEZ-KRWDZBQOSA-N 0 0 443.883 3.686 50 0 IHAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2O)C(Cl)(Cl)Cl)cc1 ZINC000003039777 556162711 /nfs/dbraw/zinc/16/27/11/556162711.db2.gz NBOKTFIRWLENAK-HNNXBMFYSA-N 0 0 448.759 3.814 50 0 IHAARN O=C1NC(=Cc2ccc(O)c(I)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000008400811 556166563 /nfs/dbraw/zinc/16/65/63/556166563.db2.gz CWIJFNUNFJEYHQ-MDWZMJQESA-N 0 0 440.624 3.748 50 0 IHAARN CCOC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433050 556172415 /nfs/dbraw/zinc/17/24/15/556172415.db2.gz ZSZKOKPABFKBKF-FUHIMQAGSA-N 0 0 438.402 3.605 50 0 IHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000008432966 556172447 /nfs/dbraw/zinc/17/24/47/556172447.db2.gz RYUCKNKFMZQXEV-KGLIPLIRSA-N 0 0 438.899 3.542 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000008438200 556174340 /nfs/dbraw/zinc/17/43/40/556174340.db2.gz HVEQGEVUEYDDQG-QGZVFWFLSA-N 0 0 437.569 3.962 50 0 IHAARN O=C(NCC(c1ccccc1)c1ccccc1)c1nn(-c2ccccc2Cl)nc1CO ZINC000008613432 556191976 /nfs/dbraw/zinc/19/19/76/556191976.db2.gz YWTQRNVXLKTOSQ-UHFFFAOYSA-N 0 0 432.911 3.975 50 0 IHAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000008690736 556200187 /nfs/dbraw/zinc/20/01/87/556200187.db2.gz PVBRULDDFBPVHE-REQDGWNSSA-N 0 0 435.505 3.784 50 0 IHAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000008784453 556215300 /nfs/dbraw/zinc/21/53/00/556215300.db2.gz USNNPXADMXVXSD-HNNXBMFYSA-N 0 0 448.552 3.626 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)CSc1ncnc3sc4c(c31)CCC4)CC2 ZINC000008828074 556224523 /nfs/dbraw/zinc/22/45/23/556224523.db2.gz BMIIFHKQACRKMP-UHFFFAOYSA-N 0 0 441.578 3.874 50 0 IHAARN CCCCOc1ccc(OCCNC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000008869583 556228665 /nfs/dbraw/zinc/22/86/65/556228665.db2.gz MSFQXDWPOUPKEM-QFIPXVFZSA-N 0 0 444.597 3.912 50 0 IHAARN CCCCOc1ccc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000008989737 556238879 /nfs/dbraw/zinc/23/88/79/556238879.db2.gz FBVUVVRHMFNXKZ-LJQANCHMSA-N 0 0 440.540 3.595 50 0 IHAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3ccccn3)c2N1 ZINC000009060612 556244150 /nfs/dbraw/zinc/24/41/50/556244150.db2.gz XQQPPTYTLWMPJX-FUHWJXTLSA-N 0 0 431.418 3.877 50 0 IHAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1C ZINC000097568039 556248257 /nfs/dbraw/zinc/24/82/57/556248257.db2.gz XZHCEMIPOUONGP-XFFZJAGNSA-N 0 0 441.535 3.769 50 0 IHAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c(C)c1 ZINC000009190132 556252875 /nfs/dbraw/zinc/25/28/75/556252875.db2.gz FEBURFLTDSFADT-UHFFFAOYSA-N 0 0 431.587 3.803 50 0 IHAARN O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009191005 556253170 /nfs/dbraw/zinc/25/31/70/556253170.db2.gz UOXMACRXQRWPQH-UHFFFAOYSA-N 0 0 440.525 3.634 50 0 IHAARN CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009197173 556255344 /nfs/dbraw/zinc/25/53/44/556255344.db2.gz XCIIBHDACBHOLU-MSOLQXFVSA-N 0 0 429.933 3.900 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009197814 556255807 /nfs/dbraw/zinc/25/58/07/556255807.db2.gz SVAGAMPOVJOGDS-WOJBJXKFSA-N 0 0 439.541 3.646 50 0 IHAARN CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000009197826 556256249 /nfs/dbraw/zinc/25/62/49/556256249.db2.gz SVAGAMPOVJOGDS-UXHICEINSA-N 0 0 439.541 3.646 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000009224872 556258572 /nfs/dbraw/zinc/25/85/72/556258572.db2.gz LVAHQBAGRGVNNX-KRWDZBQOSA-N 0 0 425.916 3.537 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2CCOC)cc1 ZINC000009232065 556261281 /nfs/dbraw/zinc/26/12/81/556261281.db2.gz WPKGWJJBADSHDM-UHFFFAOYSA-N 0 0 440.569 3.839 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009236698 556264129 /nfs/dbraw/zinc/26/41/29/556264129.db2.gz WWTMXZWPJKGCPG-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000009236726 556264134 /nfs/dbraw/zinc/26/41/34/556264134.db2.gz POOQXEMQTBWHRC-SJORKVTESA-N 0 0 433.896 3.785 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC ZINC000013683827 556274909 /nfs/dbraw/zinc/27/49/09/556274909.db2.gz GOQCHDAOKAGTKY-SFHVURJKSA-N 0 0 435.524 3.995 50 0 IHAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3nnn(Cc2ccccc2)c1=O ZINC000013690398 556279746 /nfs/dbraw/zinc/27/97/46/556279746.db2.gz PMLDZJPFUZMUAD-UHFFFAOYSA-N 0 0 447.564 3.901 50 0 IHAARN O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 ZINC000013690276 556279781 /nfs/dbraw/zinc/27/97/81/556279781.db2.gz BYYBMMMYSVDTPP-PZJWPPBQSA-N 0 0 432.904 3.723 50 0 IHAARN COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)c1OC ZINC000013691237 556280787 /nfs/dbraw/zinc/28/07/87/556280787.db2.gz MAWDSJWCCVIYJB-UHFFFAOYSA-N 0 0 443.613 3.934 50 0 IHAARN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCC ZINC000009323714 556281636 /nfs/dbraw/zinc/28/16/36/556281636.db2.gz WUYUSWFOAYUEDR-GXDHUFHOSA-N 0 0 430.320 3.929 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000013692885 556282631 /nfs/dbraw/zinc/28/26/31/556282631.db2.gz LNGKRLZLFZPAPE-UHFFFAOYSA-N 0 0 432.307 3.838 50 0 IHAARN COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000009348868 556284423 /nfs/dbraw/zinc/28/44/23/556284423.db2.gz MGEBWTKKCVQFLO-SFHVURJKSA-N 0 0 435.461 3.720 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009409824 556288183 /nfs/dbraw/zinc/28/81/83/556288183.db2.gz VYSRURYMLNMVHA-UHFFFAOYSA-N 0 0 435.505 3.851 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000009418876 556289169 /nfs/dbraw/zinc/28/91/69/556289169.db2.gz IPYLVJVRDHZUSH-OAHLLOKOSA-N 0 0 443.916 3.754 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009426519 556290183 /nfs/dbraw/zinc/29/01/83/556290183.db2.gz PLQBIMDXIWVBPK-UHFFFAOYSA-N 0 0 436.533 3.646 50 0 IHAARN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000009435025 556291495 /nfs/dbraw/zinc/29/14/95/556291495.db2.gz WZRCLBQANYADHU-HNNXBMFYSA-N 0 0 445.313 3.546 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000009435018 556291567 /nfs/dbraw/zinc/29/15/67/556291567.db2.gz HMVCCAOBTZKWFT-UHFFFAOYSA-N 0 0 441.347 3.741 50 0 IHAARN Cc1ccc(S(=O)(=O)Oc2cccc(/C=c3/sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000009464759 556293140 /nfs/dbraw/zinc/29/31/40/556293140.db2.gz RFXXHHHJIJRCEM-KGENOOAVSA-N 0 0 448.525 3.533 50 0 IHAARN Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000013731287 556295721 /nfs/dbraw/zinc/29/57/21/556295721.db2.gz WHBPFOCMYRXMMY-UHFFFAOYSA-N 0 0 439.928 3.908 50 0 IHAARN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 ZINC000009525774 556296095 /nfs/dbraw/zinc/29/60/95/556296095.db2.gz DTJNKTAFSWSCEK-UHFFFAOYSA-N 0 0 447.797 3.946 50 0 IHAARN O=C(c1ccc(Br)cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013749241 556298743 /nfs/dbraw/zinc/29/87/43/556298743.db2.gz LSPCFHBFESVURZ-QGZVFWFLSA-N 0 0 442.762 3.932 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cc1OC ZINC000032739260 556299677 /nfs/dbraw/zinc/29/96/77/556299677.db2.gz SXCRMUPNJQBHJA-QGZVFWFLSA-N 0 0 439.339 3.814 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009584368 556301168 /nfs/dbraw/zinc/30/11/68/556301168.db2.gz QWBXHDBRDJCQAS-GOSISDBHSA-N 0 0 440.301 3.977 50 0 IHAARN O=C(NCCc1nc2ccccc2s1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000032741162 556302834 /nfs/dbraw/zinc/30/28/34/556302834.db2.gz RBAXENHFULEKBP-UHFFFAOYSA-N 0 0 426.519 3.836 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000009661541 556304617 /nfs/dbraw/zinc/30/46/17/556304617.db2.gz YKEJQESBIHUUNT-UHFFFAOYSA-N 0 0 432.480 3.818 50 0 IHAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc(-c2cccs2)n1 ZINC000032744541 556304655 /nfs/dbraw/zinc/30/46/55/556304655.db2.gz RHVBVGOQVKPJIS-UHFFFAOYSA-N 0 0 429.523 3.744 50 0 IHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000009731059 556308022 /nfs/dbraw/zinc/30/80/22/556308022.db2.gz YOPYKYNZONDJML-UHFFFAOYSA-N 0 0 444.940 3.879 50 0 IHAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cc(Cl)ccc2C)c(=O)n3CC(C)C)C1 ZINC000009830553 556311310 /nfs/dbraw/zinc/31/13/10/556311310.db2.gz PELSVEVDWUPERY-UHFFFAOYSA-N 0 0 445.972 3.736 50 0 IHAARN O[C@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000032750946 556313038 /nfs/dbraw/zinc/31/30/38/556313038.db2.gz IQNVDRGEQJZQLY-WBVHZDCISA-N 0 0 435.546 3.857 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753084 556314132 /nfs/dbraw/zinc/31/41/32/556314132.db2.gz UVHWQBMOWTUTJG-FXAWDEMLSA-N 0 0 442.512 3.649 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000009907372 556316378 /nfs/dbraw/zinc/31/63/78/556316378.db2.gz RANHMYHSNHASKS-UHFFFAOYSA-N 0 0 429.542 3.852 50 0 IHAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000009933959 556317247 /nfs/dbraw/zinc/31/72/47/556317247.db2.gz ASFFSWSROWUQMZ-OAQYLSRUSA-N 0 0 439.512 3.916 50 0 IHAARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1OC ZINC000009934746 556318311 /nfs/dbraw/zinc/31/83/11/556318311.db2.gz CHFRSFALRIKPBP-OAQYLSRUSA-N 0 0 435.484 3.622 50 0 IHAARN COc1ccc([C@@H]2N(C(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009968846 556318902 /nfs/dbraw/zinc/31/89/02/556318902.db2.gz MAEONWVCRHXAAP-HSZRJFAPSA-N 0 0 436.533 3.849 50 0 IHAARN CCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000032760272 556320517 /nfs/dbraw/zinc/32/05/17/556320517.db2.gz QHVPTFKGJKITPR-UHFFFAOYSA-N 0 0 431.489 3.743 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCCC1 ZINC000013858177 556322147 /nfs/dbraw/zinc/32/21/47/556322147.db2.gz QHUBTVXTWJBCQN-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000013865683 556322197 /nfs/dbraw/zinc/32/21/97/556322197.db2.gz SDZRNTRVBKFYFA-UHFFFAOYSA-N 0 0 442.526 3.581 50 0 IHAARN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCCOc1ccccc1 ZINC000013880490 556325968 /nfs/dbraw/zinc/32/59/68/556325968.db2.gz PLVXELMWMAGSRX-UHFFFAOYSA-N 0 0 432.549 3.846 50 0 IHAARN O=C(CNc1cccc(OC[C@@H]2CCCO2)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000032776690 556326946 /nfs/dbraw/zinc/32/69/46/556326946.db2.gz ITRLCEGFQWSXIW-SFHVURJKSA-N 0 0 427.892 3.529 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)CC)cc2)c(Br)c1 ZINC000032770553 556334559 /nfs/dbraw/zinc/33/45/59/556334559.db2.gz VSAPVTPFTCBSSE-UHFFFAOYSA-N 0 0 441.299 3.986 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(CSCc2nc(-c3ccsc3)no2)n1 ZINC000032772145 556335155 /nfs/dbraw/zinc/33/51/55/556335155.db2.gz ZLHKBEXFCWXMIJ-UHFFFAOYSA-N 0 0 427.515 3.751 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000032774500 556336680 /nfs/dbraw/zinc/33/66/80/556336680.db2.gz XGRHHMBGGRZFSR-INIZCTEOSA-N 0 0 449.507 3.706 50 0 IHAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022919187 556339470 /nfs/dbraw/zinc/33/94/70/556339470.db2.gz OIBIZCRKBUIAAR-JOCHJYFZSA-N 0 0 436.600 3.701 50 0 IHAARN C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]2(C)O[C@H]2C)c2cc3ccc(=O)oc3cc2OC1(C)C ZINC000013459223 556340672 /nfs/dbraw/zinc/34/06/72/556340672.db2.gz SHZIIRHXBSCNRY-QHGLASMBSA-N 0 0 442.464 3.604 50 0 biogenic IHAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000011500008 556341526 /nfs/dbraw/zinc/34/15/26/556341526.db2.gz VMZBZFJGHWKWHN-MRPLLJTBSA-N 0 0 433.464 3.706 50 0 IHAARN CCCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C(C)C ZINC000011565923 556342288 /nfs/dbraw/zinc/34/22/88/556342288.db2.gz BXRTWAHEJJQHMN-UHFFFAOYSA-N 0 0 426.579 3.842 50 0 IHAARN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000011661506 556343048 /nfs/dbraw/zinc/34/30/48/556343048.db2.gz WQVKSPWPTUNUMT-IBGZPJMESA-N 0 0 437.499 3.681 50 0 IHAARN CC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000011661645 556343602 /nfs/dbraw/zinc/34/36/02/556343602.db2.gz MPEWLIGEGFKERL-INIZCTEOSA-N 0 0 428.982 3.548 50 0 IHAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000011665361 556346058 /nfs/dbraw/zinc/34/60/58/556346058.db2.gz WXESSQYXDQEMPG-IBGZPJMESA-N 0 0 427.976 3.997 50 0 IHAARN Cc1c(CN2CCN(C(=O)c3ccccc3COc3ccc(F)cc3F)CC2)cnn1C ZINC000013959737 556346371 /nfs/dbraw/zinc/34/63/71/556346371.db2.gz ADBSLGMECBUZDW-UHFFFAOYSA-N 0 0 440.494 3.544 50 0 IHAARN Cc1nn(C)c2nc(C)cc(C3N=NC(=S)N3c3cnn(Cc4ccccc4F)c3)c12 ZINC000013960978 556348675 /nfs/dbraw/zinc/34/86/75/556348675.db2.gz GAUYPNLRLXVADD-UHFFFAOYSA-N 0 0 434.504 3.505 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000032784228 556349708 /nfs/dbraw/zinc/34/97/08/556349708.db2.gz ZGCGIEUGHVYKBJ-NRFANRHFSA-N 0 0 444.531 3.822 50 0 IHAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000011769059 556350237 /nfs/dbraw/zinc/35/02/37/556350237.db2.gz GZWRZQYKXCYAHH-HSZRJFAPSA-N 0 0 434.536 3.892 50 0 IHAARN CC(C)Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)[nH]n1 ZINC000011784669 556352817 /nfs/dbraw/zinc/35/28/17/556352817.db2.gz ADMAMVLVQIIRAL-NRFANRHFSA-N 0 0 447.583 3.691 50 0 IHAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)/C=C/c1ccccn1)C2 ZINC000011785969 556353172 /nfs/dbraw/zinc/35/31/72/556353172.db2.gz RNMKIPAXBGCUID-CFGKVWFZSA-N 0 0 428.488 3.977 50 0 IHAARN Cn1ccnc1[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011789360 556354997 /nfs/dbraw/zinc/35/49/97/556354997.db2.gz CSMHCHZANKBBJX-WMZHIEFXSA-N 0 0 428.964 3.799 50 0 IHAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N[C@H](CCn1ccnc1)c1ccccc1 ZINC000011790009 556355263 /nfs/dbraw/zinc/35/52/63/556355263.db2.gz RGTPPVHBFNUVHJ-ZJSXRUAMSA-N 0 0 436.581 3.864 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCCOC1CCCCC1 ZINC000032795211 556357014 /nfs/dbraw/zinc/35/70/14/556357014.db2.gz UFXRNCHVOZYKLY-UHFFFAOYSA-N 0 0 426.355 3.735 50 0 IHAARN COCCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000011814781 556357983 /nfs/dbraw/zinc/35/79/83/556357983.db2.gz LUPXRJZIUXCCMO-UHFFFAOYSA-N 0 0 445.445 3.944 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 ZINC000014066363 556359162 /nfs/dbraw/zinc/35/91/62/556359162.db2.gz FDTYQGGPXSAXLW-UHFFFAOYSA-N 0 0 447.516 3.546 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014076466 556362168 /nfs/dbraw/zinc/36/21/68/556362168.db2.gz NYSWDRKCQWQWOU-HXUWFJFHSA-N 0 0 425.916 3.800 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032797059 556362766 /nfs/dbraw/zinc/36/27/66/556362766.db2.gz RVYLUCPLTHFNJL-UHFFFAOYSA-N 0 0 426.822 3.966 50 0 IHAARN COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C[C@@H]3CCCO3)c2)c1 ZINC000014083595 556363332 /nfs/dbraw/zinc/36/33/32/556363332.db2.gz XXTVHDWTXMBHBM-KRWDZBQOSA-N 0 0 445.475 3.516 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032802752 556365120 /nfs/dbraw/zinc/36/51/20/556365120.db2.gz KBUJGUMENUAJDA-DEOSSOPVSA-N 0 0 428.492 3.965 50 0 IHAARN CN(Cc1ccccc1N1CCCCC1)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000032803044 556365439 /nfs/dbraw/zinc/36/54/39/556365439.db2.gz IQOSOVNDYSJFJV-UHFFFAOYSA-N 0 0 428.964 3.902 50 0 IHAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2n1 ZINC000014092846 556365671 /nfs/dbraw/zinc/36/56/71/556365671.db2.gz XYQNAAFHVWRERT-CALCHBBNSA-N 0 0 439.537 3.593 50 0 IHAARN COc1ccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 ZINC000014094678 556366537 /nfs/dbraw/zinc/36/65/37/556366537.db2.gz BBAKYVZAYKJZAF-UHFFFAOYSA-N 0 0 426.542 3.674 50 0 IHAARN Cc1cc(NC(=O)CN(C)Cc2cnn(Cc3ccccc3)c2)n(-c2ccc(C)cc2)n1 ZINC000014094978 556366957 /nfs/dbraw/zinc/36/69/57/556366957.db2.gz GMFVEKOUGFZNQW-UHFFFAOYSA-N 0 0 428.540 3.804 50 0 IHAARN Nc1n[nH]c(SCC(=O)Nc2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)n1 ZINC000014141944 556377233 /nfs/dbraw/zinc/37/72/33/556377233.db2.gz GXAGCLMDYKLLAH-UHFFFAOYSA-N 0 0 445.552 3.849 50 0 IHAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000014157941 556377877 /nfs/dbraw/zinc/37/78/77/556377877.db2.gz DNFNMHVMACPGLF-OAQYLSRUSA-N 0 0 431.414 3.600 50 0 IHAARN CC[C@H](c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1Cc1ccccc1)N(C)C ZINC000014164240 556379083 /nfs/dbraw/zinc/37/90/83/556379083.db2.gz GDBOLJOUWPJMFW-HXUWFJFHSA-N 0 0 449.580 3.809 50 0 IHAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)cc(OC)c1 ZINC000011936986 556379190 /nfs/dbraw/zinc/37/91/90/556379190.db2.gz NDFYAUAJISXFNT-LJQANCHMSA-N 0 0 425.529 3.689 50 0 IHAARN O=c1c2c3c(sc2ncn1C[C@@H](O)COc1ccc(Br)cc1)CCCC3 ZINC000014184106 556384147 /nfs/dbraw/zinc/38/41/47/556384147.db2.gz NAFNSHAAHDYHLJ-CYBMUJFWSA-N 0 0 435.343 3.539 50 0 IHAARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cnn1-c1ccccn1 ZINC000032815948 556387989 /nfs/dbraw/zinc/38/79/89/556387989.db2.gz KORAJSLHLTVVAC-UHFFFAOYSA-N 0 0 431.418 3.683 50 0 IHAARN COc1ccc(CCNC(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cc1OC ZINC000012037159 556390165 /nfs/dbraw/zinc/39/01/65/556390165.db2.gz ZKIZFKWQRWUYGG-XMMPIXPASA-N 0 0 444.959 3.688 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN[C@@H](C)c1ccccc1Cl ZINC000014199191 556390360 /nfs/dbraw/zinc/39/03/60/556390360.db2.gz DABDGGPPZYGMSO-ZDUSSCGKSA-N 0 0 438.753 3.816 50 0 IHAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)cc1 ZINC000012062076 556395170 /nfs/dbraw/zinc/39/51/70/556395170.db2.gz QBOVCIXOVCIOPW-GOSISDBHSA-N 0 0 432.524 3.578 50 0 IHAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCC2)CC1=O ZINC000012062134 556395490 /nfs/dbraw/zinc/39/54/90/556395490.db2.gz MFCCGQVOSMJMTP-GOSISDBHSA-N 0 0 432.524 3.578 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(NC(C)=O)cc2)ccc1Cl ZINC000014228129 556395744 /nfs/dbraw/zinc/39/57/44/556395744.db2.gz PYWTULVFNYBLAT-UHFFFAOYSA-N 0 0 437.949 3.510 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 ZINC000032810732 556397249 /nfs/dbraw/zinc/39/72/49/556397249.db2.gz IWNLRDDYSZANNR-HXUWFJFHSA-N 0 0 427.545 3.736 50 0 IHAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000032810736 556397555 /nfs/dbraw/zinc/39/75/55/556397555.db2.gz TWPMAHYPZZBLQL-JOCHJYFZSA-N 0 0 440.494 3.623 50 0 IHAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014231254 556397850 /nfs/dbraw/zinc/39/78/50/556397850.db2.gz MDLPSDQQUMCFPD-GOSISDBHSA-N 0 0 433.530 3.891 50 0 IHAARN Cc1cc(=O)c(C(=O)NCc2ccon2)c2n1-c1ccccc1S[C@@H](c1ccccn1)C2 ZINC000012079009 556398354 /nfs/dbraw/zinc/39/83/54/556398354.db2.gz NAOHHJXQPULKMO-JOCHJYFZSA-N 0 0 444.516 3.848 50 0 IHAARN C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2nnc(-c3cccs3)o2)C1=O ZINC000014233004 556398499 /nfs/dbraw/zinc/39/84/99/556398499.db2.gz OXILVBMTYYNNOA-KRWDZBQOSA-N 0 0 433.287 3.528 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccc(OC)cc3nc2C)cc1 ZINC000014236575 556399418 /nfs/dbraw/zinc/39/94/18/556399418.db2.gz PWHHEHYILSFAOT-UHFFFAOYSA-N 0 0 441.553 3.512 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@@H](C)O1 ZINC000014240863 556401190 /nfs/dbraw/zinc/40/11/90/556401190.db2.gz CZUZQERKCQBADL-IAGOWNOFSA-N 0 0 446.594 3.627 50 0 IHAARN C[C@H]1Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O ZINC000014241495 556401750 /nfs/dbraw/zinc/40/17/50/556401750.db2.gz FRJNWEOTHRYULY-UKRRQHHQSA-N 0 0 427.888 3.550 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014241672 556402055 /nfs/dbraw/zinc/40/20/55/556402055.db2.gz UVTUOTSKGWNOIT-UHFFFAOYSA-N 0 0 436.961 3.518 50 0 IHAARN C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000014242617 556403237 /nfs/dbraw/zinc/40/32/37/556403237.db2.gz FRRKEFRMFQMBOO-WDEREUQCSA-N 0 0 446.583 3.732 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc32)c(OC)c1 ZINC000014244242 556403957 /nfs/dbraw/zinc/40/39/57/556403957.db2.gz OTAZXAZMFNDKGK-QHCPKHFHSA-N 0 0 432.520 3.879 50 0 IHAARN COc1ccc(Cc2noc(CN3CCC([C@H](O)c4cccs4)CC3)n2)cc1OC ZINC000012429225 556404286 /nfs/dbraw/zinc/40/42/86/556404286.db2.gz RMTCGXQUOGWYDH-QFIPXVFZSA-N 0 0 429.542 3.685 50 0 IHAARN COc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cs2)cc1 ZINC000014245934 556405739 /nfs/dbraw/zinc/40/57/39/556405739.db2.gz CODBLFHIXNQZRJ-IBGZPJMESA-N 0 0 443.594 3.612 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000014245814 556405839 /nfs/dbraw/zinc/40/58/39/556405839.db2.gz MNKNZINXVBLCQT-UHFFFAOYSA-N 0 0 436.302 3.577 50 0 IHAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000014250587 556408771 /nfs/dbraw/zinc/40/87/71/556408771.db2.gz VNIATUGFAYHYSF-UHFFFAOYSA-N 0 0 427.473 3.826 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCOCC2)cc1 ZINC000032623324 556410492 /nfs/dbraw/zinc/41/04/92/556410492.db2.gz TZEKIPRAEGVTLE-HSZRJFAPSA-N 0 0 435.524 3.770 50 0 IHAARN Cc1ccc([C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 ZINC000032819247 556411924 /nfs/dbraw/zinc/41/19/24/556411924.db2.gz FPHLXIUSFHWRIX-QRWLVFNGSA-N 0 0 432.542 3.768 50 0 IHAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000032820933 556412410 /nfs/dbraw/zinc/41/24/10/556412410.db2.gz GMLPPBKBHMIDMC-KSSFIOAISA-N 0 0 442.537 3.941 50 0 IHAARN O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000032823314 556412727 /nfs/dbraw/zinc/41/27/27/556412727.db2.gz WGOBEFNSQMFDPA-VWLOTQADSA-N 0 0 425.536 3.733 50 0 IHAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@@H]1C ZINC000014360314 556414402 /nfs/dbraw/zinc/41/44/02/556414402.db2.gz GYTPPXNQJJLVLY-XJKCOSOUSA-N 0 0 437.949 3.966 50 0 IHAARN Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc2ccccc12 ZINC000032831389 556417355 /nfs/dbraw/zinc/41/73/55/556417355.db2.gz FLAIVZVGURXJOE-QGZVFWFLSA-N 0 0 445.306 3.867 50 0 IHAARN Cc1nnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc12 ZINC000032666252 556417625 /nfs/dbraw/zinc/41/76/25/556417625.db2.gz YGAXPXORHVNOCP-UHFFFAOYSA-N 0 0 437.352 3.756 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000012971345 556418796 /nfs/dbraw/zinc/41/87/96/556418796.db2.gz YMLWNFQTOWRDCG-UHFFFAOYSA-N 0 0 427.932 3.671 50 0 IHAARN O=C(CCN1C(=S)N=NC1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012973394 556419768 /nfs/dbraw/zinc/41/97/68/556419768.db2.gz FTCIAWJLVSQYOK-UHFFFAOYSA-N 0 0 448.017 3.683 50 0 IHAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1 ZINC000012974346 556420349 /nfs/dbraw/zinc/42/03/49/556420349.db2.gz RZOHSQJVBYYJFK-VWLOTQADSA-N 0 0 435.499 3.706 50 0 IHAARN CC(C)c1nc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](OCC3CC3)C2)cs1 ZINC000014532236 556421014 /nfs/dbraw/zinc/42/10/14/556421014.db2.gz DXZDYBKBKVOGKK-LJQANCHMSA-N 0 0 427.570 3.546 50 0 IHAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000012976909 556422217 /nfs/dbraw/zinc/42/22/17/556422217.db2.gz RRXUSMVPSGUBMI-UHFFFAOYSA-N 0 0 439.531 3.700 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012978054 556422736 /nfs/dbraw/zinc/42/27/36/556422736.db2.gz NYLUQCANRLCGQB-ZNWBTVJYSA-N 0 0 439.556 3.800 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Br ZINC000012978932 556423367 /nfs/dbraw/zinc/42/33/67/556423367.db2.gz AZAIPUCHVLEJPN-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C ZINC000012979094 556423719 /nfs/dbraw/zinc/42/37/19/556423719.db2.gz ZSIRGVIHGVGEEM-UHFFFAOYSA-N 0 0 441.959 3.703 50 0 IHAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012981508 556424441 /nfs/dbraw/zinc/42/44/41/556424441.db2.gz AMVWRCNBIUAGTH-GOSISDBHSA-N 0 0 438.496 3.631 50 0 IHAARN COc1ccccc1CCNC(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 ZINC000012982474 556425045 /nfs/dbraw/zinc/42/50/45/556425045.db2.gz OWFQHMMBCLBNDY-AWEZNQCLSA-N 0 0 431.489 3.808 50 0 IHAARN CNC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012983513 556425659 /nfs/dbraw/zinc/42/56/59/556425659.db2.gz WQRZVXDBYTUYAP-UHFFFAOYSA-N 0 0 442.537 3.549 50 0 IHAARN O=C(Cc1c(Cl)cccc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000012984208 556426023 /nfs/dbraw/zinc/42/60/23/556426023.db2.gz BLDDGMURSIHVSF-UHFFFAOYSA-N 0 0 427.353 3.505 50 0 IHAARN COc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)NC1CC1 ZINC000012984824 556426122 /nfs/dbraw/zinc/42/61/22/556426122.db2.gz GMEYXASDEXQBAJ-UHFFFAOYSA-N 0 0 430.570 3.706 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000032843637 556428765 /nfs/dbraw/zinc/42/87/65/556428765.db2.gz GJGFHDLQFSEDSC-UHFFFAOYSA-N 0 0 432.855 3.805 50 0 IHAARN CN(Cc1ccccc1Br)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012992913 556428936 /nfs/dbraw/zinc/42/89/36/556428936.db2.gz TWRSQVLUECEZMG-UHFFFAOYSA-N 0 0 446.370 3.827 50 0 IHAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1Br ZINC000012994722 556430248 /nfs/dbraw/zinc/43/02/48/556430248.db2.gz GGTGZSUIPWMTHU-OLZOCXBDSA-N 0 0 437.359 3.651 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000012995835 556431069 /nfs/dbraw/zinc/43/10/69/556431069.db2.gz PBFOWQMLBZCKOU-KRWDZBQOSA-N 0 0 431.945 3.823 50 0 IHAARN Cc1nc(CSc2ccc(C(=O)N3CCN(C(=O)N4CCCC4)CC3)cc2)cs1 ZINC000012997690 556431859 /nfs/dbraw/zinc/43/18/59/556431859.db2.gz HRVYFVHGBAMUIM-UHFFFAOYSA-N 0 0 430.599 3.717 50 0 IHAARN CCCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2c1=O ZINC000012998410 556432363 /nfs/dbraw/zinc/43/23/63/556432363.db2.gz YOQUZHVNLACHEE-OAHLLOKOSA-N 0 0 434.496 3.949 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000032854768 556432765 /nfs/dbraw/zinc/43/27/65/556432765.db2.gz RXQXFKKVFKDTTF-FQEVSTJZSA-N 0 0 426.900 3.734 50 0 IHAARN CCCCc1noc([C@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(F)c2)n1 ZINC000027813012 556433251 /nfs/dbraw/zinc/43/32/51/556433251.db2.gz KOYGEJLKFUWXNN-AWEZNQCLSA-N 0 0 432.525 3.822 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1 ZINC000032855913 556433341 /nfs/dbraw/zinc/43/33/41/556433341.db2.gz GKFQHGIUTACONB-LJQANCHMSA-N 0 0 442.519 3.889 50 0 IHAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccccc3Cn3cccn3)c12 ZINC000027810804 556433427 /nfs/dbraw/zinc/43/34/27/556433427.db2.gz QILJZIMOGTUEMI-UHFFFAOYSA-N 0 0 426.480 3.712 50 0 IHAARN Cc1nn2c(nc(Sc3nnc(CCC(N)=O)n3CC(C)C)c3ccccc32)c1Cl ZINC000032857599 556433801 /nfs/dbraw/zinc/43/38/01/556433801.db2.gz IZYZYJWINGMXMN-UHFFFAOYSA-N 0 0 443.964 3.661 50 0 IHAARN O=C(CSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013002581 556434170 /nfs/dbraw/zinc/43/41/70/556434170.db2.gz OXCACSUBLBSCIX-UHFFFAOYSA-N 0 0 445.393 3.619 50 0 IHAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1nc(-c2ccsc2)no1 ZINC000014704419 556434499 /nfs/dbraw/zinc/43/44/99/556434499.db2.gz KXVZEKDDZTZCTO-UHFFFAOYSA-N 0 0 435.575 3.873 50 0 IHAARN COc1ccc(Oc2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc2OC)cc1 ZINC000013007935 556435379 /nfs/dbraw/zinc/43/53/79/556435379.db2.gz XWBUZVNIUIYRRZ-UHFFFAOYSA-N 0 0 431.448 3.845 50 0 IHAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027919017 556435715 /nfs/dbraw/zinc/43/57/15/556435715.db2.gz LLSXUPNMQGTTKG-UHFFFAOYSA-N 0 0 441.837 3.785 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000027922615 556435756 /nfs/dbraw/zinc/43/57/56/556435756.db2.gz JRYBXDAVLQWQJL-HXUWFJFHSA-N 0 0 449.580 3.990 50 0 IHAARN CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1ccc(O)cc1)CC2 ZINC000014745347 556440650 /nfs/dbraw/zinc/44/06/50/556440650.db2.gz VFUORKBYIPDRAB-UHFFFAOYSA-N 0 0 435.524 3.575 50 0 IHAARN Nc1c(Cl)cc(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1Cl ZINC000027994809 556441078 /nfs/dbraw/zinc/44/10/78/556441078.db2.gz LESUSRJXXUNIBV-UHFFFAOYSA-N 0 0 443.294 3.569 50 0 IHAARN O=C(CSc1ccccc1C(=O)NCc1nnc2ccccn21)Nc1ccc(F)cc1 ZINC000013028046 556441293 /nfs/dbraw/zinc/44/12/93/556441293.db2.gz WFWOIJFSTCDXCR-UHFFFAOYSA-N 0 0 435.484 3.529 50 0 IHAARN CC1(C)NC(=O)N(CCSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)C1=O ZINC000028012283 556441725 /nfs/dbraw/zinc/44/17/25/556441725.db2.gz TXLGJINANKPPHU-UHFFFAOYSA-N 0 0 440.569 3.710 50 0 IHAARN Cc1sc2nc(SCCN3C(=O)NC(C)(C)C3=O)n(C3CCCC3)c(=O)c2c1C ZINC000028012971 556441844 /nfs/dbraw/zinc/44/18/44/556441844.db2.gz IEORBVNBAZAYMT-UHFFFAOYSA-N 0 0 434.587 3.612 50 0 IHAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@@H](C)c1nc4sc(C)c(C)c4c(=O)[nH]1)(C3)C2 ZINC000032957587 556442367 /nfs/dbraw/zinc/44/23/67/556442367.db2.gz CRPZKIYZVCATHT-RBVYLEGVSA-N 0 0 443.569 3.681 50 0 IHAARN O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000028094100 556443525 /nfs/dbraw/zinc/44/35/25/556443525.db2.gz JLPWMYBESNIWER-LJQANCHMSA-N 0 0 425.492 3.911 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@H](C)CO)cnc2n1CCC(C)C ZINC000014752327 556444033 /nfs/dbraw/zinc/44/40/33/556444033.db2.gz HENRZUIEYZWGOG-CQSZACIVSA-N 0 0 428.489 3.507 50 0 IHAARN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@H]1CCCCCC1=O ZINC000028188767 556444629 /nfs/dbraw/zinc/44/46/29/556444629.db2.gz TWBWIGVCSJLUKS-INIZCTEOSA-N 0 0 425.348 3.799 50 0 IHAARN Cc1nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)[nH]c1Cc1ccccc1 ZINC000014774690 556445162 /nfs/dbraw/zinc/44/51/62/556445162.db2.gz HKCVKKDSCPSEHQ-UHFFFAOYSA-N 0 0 442.629 3.552 50 0 IHAARN CCn1nnc2cc(C(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000014792262 556445799 /nfs/dbraw/zinc/44/57/99/556445799.db2.gz OACHGAFNOHDYLC-UHFFFAOYSA-N 0 0 429.436 3.685 50 0 IHAARN Cc1c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)sc2[nH]c(C)nc(=O)c12 ZINC000013040826 556446461 /nfs/dbraw/zinc/44/64/61/556446461.db2.gz XZUUUCJVLJDZAW-UHFFFAOYSA-N 0 0 426.281 3.704 50 0 IHAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000028248298 556446989 /nfs/dbraw/zinc/44/69/89/556446989.db2.gz XJOWVZBHLGJJPS-UHFFFAOYSA-N 0 0 446.890 3.984 50 0 IHAARN COc1ccccc1NC(=O)Cc1noc(CSc2nnc(CCC3CCCC3)[nH]2)n1 ZINC000014805662 556447169 /nfs/dbraw/zinc/44/71/69/556447169.db2.gz DYIGDLLOGDWMOG-UHFFFAOYSA-N 0 0 442.545 3.793 50 0 IHAARN CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c2nc3ccccc3nc21 ZINC000014814944 556448024 /nfs/dbraw/zinc/44/80/24/556448024.db2.gz BFZKUNVNXKRRIK-UHFFFAOYSA-N 0 0 442.498 3.930 50 0 IHAARN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)N(C)C ZINC000028288227 556448201 /nfs/dbraw/zinc/44/82/01/556448201.db2.gz KIARAHVMZVSZIX-MRXNPFEDSA-N 0 0 445.313 3.597 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 ZINC000013042092 556448167 /nfs/dbraw/zinc/44/81/67/556448167.db2.gz RYTBLXMMGSNEBY-IAGOWNOFSA-N 0 0 442.487 3.790 50 0 IHAARN CCOC(=O)C1=C(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)N[C@H]1C ZINC000013057681 556449390 /nfs/dbraw/zinc/44/93/90/556449390.db2.gz BQJJTAJGVKEDFX-QMMMGPOBSA-N 0 0 426.313 3.622 50 0 IHAARN CCn1c2ccccc2n(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1=O ZINC000032869020 556449826 /nfs/dbraw/zinc/44/98/26/556449826.db2.gz SRMFWDISYRGOHS-UHFFFAOYSA-N 0 0 434.521 3.910 50 0 IHAARN CCOc1cc(Br)c(CC(=O)N2CC(=O)Nc3ccccc32)cc1OCC ZINC000014851888 556450094 /nfs/dbraw/zinc/45/00/94/556450094.db2.gz NQMPIDZEDVKXFN-UHFFFAOYSA-N 0 0 433.302 3.774 50 0 IHAARN Cc1cccn2cc(CN3C(=O)N[C@](C)(CCc4ccc(OC(F)F)cc4)C3=O)nc12 ZINC000013059637 556450498 /nfs/dbraw/zinc/45/04/98/556450498.db2.gz DLCHLTZLHQYKCU-JOCHJYFZSA-N 0 0 428.439 3.687 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nc3ncccn3n2)c2ccccc2)cc1 ZINC000032865485 556450758 /nfs/dbraw/zinc/45/07/58/556450758.db2.gz UJTUPIDCFUKEIO-IBGZPJMESA-N 0 0 439.566 3.635 50 0 IHAARN O=S(=O)(Nc1cccc(Cl)c1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000013069777 556452897 /nfs/dbraw/zinc/45/28/97/556452897.db2.gz WRQCNQBBCNXJBK-INIZCTEOSA-N 0 0 425.963 3.606 50 0 IHAARN Cn1c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)nnc1SC[C@H]1CCCO1 ZINC000014887211 556455446 /nfs/dbraw/zinc/45/54/46/556455446.db2.gz STOQQWPLKQIZDD-HXUWFJFHSA-N 0 0 440.544 3.865 50 0 IHAARN O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000013097324 556457890 /nfs/dbraw/zinc/45/78/90/556457890.db2.gz YFYSYUZLUWVESR-UHFFFAOYSA-N 0 0 445.353 3.931 50 0 IHAARN COc1ccc(Br)cc1CN(C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000014924299 556458633 /nfs/dbraw/zinc/45/86/33/556458633.db2.gz RGCCLOGMVFYLOR-UHFFFAOYSA-N 0 0 447.312 3.740 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ncccc1OCC1CCCCC1 ZINC000072278481 556461082 /nfs/dbraw/zinc/46/10/82/556461082.db2.gz NDWWEDJOCRWUTE-QRFRQXIXSA-N 0 0 432.590 3.705 50 0 IHAARN Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000013102487 556461284 /nfs/dbraw/zinc/46/12/84/556461284.db2.gz BFZURZREGIKDIL-UHFFFAOYSA-N 0 0 449.536 3.740 50 0 IHAARN COc1ccc2cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c(Cl)nc2c1 ZINC000013108391 556461983 /nfs/dbraw/zinc/46/19/83/556461983.db2.gz BJABBPOTMHNAJK-JOCHJYFZSA-N 0 0 439.855 3.593 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@H]3OC(=O)c4ccccc43)n2)s1 ZINC000013108277 556461995 /nfs/dbraw/zinc/46/19/95/556461995.db2.gz XJPIGGAZAIRPLG-MRXNPFEDSA-N 0 0 427.507 3.748 50 0 IHAARN Cc1[nH]c2ccc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)cc2c1C ZINC000013108978 556462703 /nfs/dbraw/zinc/46/27/03/556462703.db2.gz JMDGTOFDTCVVGV-UHFFFAOYSA-N 0 0 426.270 3.912 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2cncn2)c(C)c1C ZINC000014957851 556463081 /nfs/dbraw/zinc/46/30/81/556463081.db2.gz PHPGDCNRUDYLNL-VWLOTQADSA-N 0 0 429.524 3.949 50 0 IHAARN NC(=O)CCn1c(SCCOc2ccc(Cl)cc2Br)nnc1C1CC1 ZINC000028909237 556463747 /nfs/dbraw/zinc/46/37/47/556463747.db2.gz NUYSARXUCRUOAM-UHFFFAOYSA-N 0 0 445.770 3.618 50 0 IHAARN CCN(C(=O)[C@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 ZINC000028908490 556463784 /nfs/dbraw/zinc/46/37/84/556463784.db2.gz UWKBFDCBTKRPJV-WMZOPIPTSA-N 0 0 427.570 3.650 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000014966878 556465775 /nfs/dbraw/zinc/46/57/75/556465775.db2.gz GNEXXUUAYWCGPB-HSZRJFAPSA-N 0 0 449.595 3.672 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 ZINC000029076270 556466608 /nfs/dbraw/zinc/46/66/08/556466608.db2.gz QBGVRQFUDMDEGB-UHFFFAOYSA-N 0 0 426.416 3.710 50 0 IHAARN CCOc1cc2c(cc1NC(=O)Cn1c(=S)[nH]nc1-c1ccc(OC)cc1)O[C@@H](C)C2 ZINC000029129556 556468025 /nfs/dbraw/zinc/46/80/25/556468025.db2.gz HPUZGIPKNMHLJT-ZDUSSCGKSA-N 0 0 440.525 3.977 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013117199 556469583 /nfs/dbraw/zinc/46/95/83/556469583.db2.gz CJDQGABODXENKA-QHCPKHFHSA-N 0 0 433.508 3.816 50 0 IHAARN Cn1c(CCNC(=O)C2(c3ccccc3)CCCCC2)nnc1SC[C@@H]1CCCO1 ZINC000014980351 556470244 /nfs/dbraw/zinc/47/02/44/556470244.db2.gz OVJURDNBLOMXSA-IBGZPJMESA-N 0 0 428.602 3.647 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000013119794 556471979 /nfs/dbraw/zinc/47/19/79/556471979.db2.gz ILTSTCSLAKJGPL-JOCHJYFZSA-N 0 0 429.549 3.848 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1C ZINC000072282603 556472245 /nfs/dbraw/zinc/47/22/45/556472245.db2.gz GZDLIOYFMGPUDV-FQEVSTJZSA-N 0 0 444.532 3.766 50 0 IHAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013124814 556475074 /nfs/dbraw/zinc/47/50/74/556475074.db2.gz DKFPBRIHJBERSA-NRFANRHFSA-N 0 0 425.510 3.981 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccc(OC)cc1)N2 ZINC000013127414 556476169 /nfs/dbraw/zinc/47/61/69/556476169.db2.gz DPVMPIVJZJFLDH-ZWKOTPCHSA-N 0 0 427.892 3.671 50 0 IHAARN Cc1cc(NC(=O)COC(=O)CCc2nnc(-c3ccccc3)o2)n(-c2ccccc2C)n1 ZINC000029513393 556477178 /nfs/dbraw/zinc/47/71/78/556477178.db2.gz PKJFTDKNWJKBSH-UHFFFAOYSA-N 0 0 445.479 3.654 50 0 IHAARN COc1ccc2c(c1)CCCN2C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000029509882 556477306 /nfs/dbraw/zinc/47/73/06/556477306.db2.gz JFOGZKVNHMXYQD-LJQANCHMSA-N 0 0 439.493 3.662 50 0 IHAARN COc1ccc(-n2ccn(CN3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2=S)cc1 ZINC000029543494 556477959 /nfs/dbraw/zinc/47/79/59/556477959.db2.gz PNYIYAALVQUEHY-GOSISDBHSA-N 0 0 427.526 3.541 50 0 IHAARN Cc1ccc(Sc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1C ZINC000013133998 556481780 /nfs/dbraw/zinc/48/17/80/556481780.db2.gz WSTQBQULTOVILU-UHFFFAOYSA-N 0 0 434.627 3.844 50 0 IHAARN CSc1nnc(CN(C)Cc2c[nH]nc2-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000015007295 556481905 /nfs/dbraw/zinc/48/19/05/556481905.db2.gz YSSVIPGTXVZKRI-KRWDZBQOSA-N 0 0 432.981 3.855 50 0 IHAARN CCOC(=O)c1sc2[nH]c([C@@H](C)N(C)Cc3ccc(OC)c(OC)c3)nc(=O)c2c1C ZINC000013135103 556483126 /nfs/dbraw/zinc/48/31/26/556483126.db2.gz UPLOBIUQPUAMAF-CYBMUJFWSA-N 0 0 445.541 3.680 50 0 IHAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccc2c(c1)NC(=O)CO2 ZINC000029926725 556486509 /nfs/dbraw/zinc/48/65/09/556486509.db2.gz PAWDARPHWNILRR-UHFFFAOYSA-N 0 0 434.521 3.813 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1 ZINC000032876227 556486461 /nfs/dbraw/zinc/48/64/61/556486461.db2.gz ZZTFPRHJTAOHJA-UHFFFAOYSA-N 0 0 448.566 3.706 50 0 IHAARN CCCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1nnc(-c2cccs2)o1 ZINC000015022517 556488180 /nfs/dbraw/zinc/48/81/80/556488180.db2.gz OKPTXVCEIKFKQF-UHFFFAOYSA-N 0 0 427.530 3.975 50 0 IHAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013146473 556488370 /nfs/dbraw/zinc/48/83/70/556488370.db2.gz MUVGSMKORNZAJY-UHFFFAOYSA-N 0 0 433.537 3.638 50 0 IHAARN Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000032876375 556488479 /nfs/dbraw/zinc/48/84/79/556488479.db2.gz KHPWQIINOCTVTP-UHFFFAOYSA-N 0 0 437.565 3.645 50 0 IHAARN O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000032876513 556488846 /nfs/dbraw/zinc/48/88/46/556488846.db2.gz BUFRLUQZIDOKOU-UHFFFAOYSA-N 0 0 446.576 3.958 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCc2ccc(CN3CCOCC3)cc2)s1 ZINC000030015526 556489580 /nfs/dbraw/zinc/48/95/80/556489580.db2.gz TWGUYINBGXVYKJ-UHFFFAOYSA-N 0 0 439.556 3.949 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000015063951 556491472 /nfs/dbraw/zinc/49/14/72/556491472.db2.gz NRFGWDAOUJEZMA-VWLOTQADSA-N 0 0 435.524 3.908 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 ZINC000030217578 556491720 /nfs/dbraw/zinc/49/17/20/556491720.db2.gz VUADJQNEJSODKB-UHFFFAOYSA-N 0 0 430.302 3.641 50 0 IHAARN COc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1S(N)(=O)=O ZINC000013149981 556492064 /nfs/dbraw/zinc/49/20/64/556492064.db2.gz DIGYSVXDZZOOOQ-HXUWFJFHSA-N 0 0 428.535 3.815 50 0 IHAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)CNc1nc2ccccc2s1 ZINC000030346394 556493340 /nfs/dbraw/zinc/49/33/40/556493340.db2.gz ANJKDILZDDEIAZ-UHFFFAOYSA-N 0 0 435.452 3.511 50 0 IHAARN C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000030346742 556493351 /nfs/dbraw/zinc/49/33/51/556493351.db2.gz MAXCGLYJCQQCMP-NQIIRXRSSA-N 0 0 437.569 3.562 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](OCc4ccccc4)C3)n2)c(OC)c1OC ZINC000015069953 556494993 /nfs/dbraw/zinc/49/49/93/556494993.db2.gz SUEXXGHDMVIIJJ-GOSISDBHSA-N 0 0 439.512 3.944 50 0 IHAARN O=C(NCCCn1nnc2ccccc21)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000015073235 556497394 /nfs/dbraw/zinc/49/73/94/556497394.db2.gz QNYLRCOUNNBXLD-UHFFFAOYSA-N 0 0 431.496 3.697 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000015073352 556497638 /nfs/dbraw/zinc/49/76/38/556497638.db2.gz QLGWGJSIPJBRBY-QGZVFWFLSA-N 0 0 432.590 3.577 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)[C@H](c3ccco3)C2)cc1 ZINC000013165259 556498388 /nfs/dbraw/zinc/49/83/88/556498388.db2.gz FTYNESRMMNMLHG-FQEVSTJZSA-N 0 0 446.438 3.922 50 0 IHAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015074401 556498498 /nfs/dbraw/zinc/49/84/98/556498498.db2.gz GFPFJMKMBQLRNC-JOCHJYFZSA-N 0 0 443.551 3.774 50 0 IHAARN O=C(NC[C@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1 ZINC000030590107 556498989 /nfs/dbraw/zinc/49/89/89/556498989.db2.gz VQNFTORSJDYZTR-MRXNPFEDSA-N 0 0 437.569 3.650 50 0 IHAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)no1 ZINC000015075856 556499126 /nfs/dbraw/zinc/49/91/26/556499126.db2.gz BXIMZRMSYMJDHF-IBGZPJMESA-N 0 0 432.908 3.957 50 0 IHAARN O=C(CN1C(=O)CSC1=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 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CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904461 556543981 /nfs/dbraw/zinc/54/39/81/556543981.db2.gz CZPHOVXLOOJFJA-XMMPIXPASA-N 0 0 449.576 3.560 50 0 IHAARN Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015810179 556553018 /nfs/dbraw/zinc/55/30/18/556553018.db2.gz OGEYHNMQGJMEEJ-UHFFFAOYSA-N 0 0 425.510 3.906 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C(C)C)cc2)cc1 ZINC000015822867 556554070 /nfs/dbraw/zinc/55/40/70/556554070.db2.gz SURWLKANIUAWQR-OAQYLSRUSA-N 0 0 430.570 3.609 50 0 IHAARN O=C([C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)N1CCSCC1 ZINC000033266384 556557673 /nfs/dbraw/zinc/55/76/73/556557673.db2.gz HBHHPYMVWMVDDQ-KRWDZBQOSA-N 0 0 441.988 3.842 50 0 IHAARN CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)s1 ZINC000071280937 556557899 /nfs/dbraw/zinc/55/78/99/556557899.db2.gz CRJLTGLNCWBVTA-UHFFFAOYSA-N 0 0 428.967 3.572 50 0 IHAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 ZINC000071280854 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ZINC000016129156 556584677 /nfs/dbraw/zinc/58/46/77/556584677.db2.gz HXHZGLXJNBHWDR-SFHVURJKSA-N 0 0 428.828 3.944 50 0 IHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)C1 ZINC000034887466 556585612 /nfs/dbraw/zinc/58/56/12/556585612.db2.gz SQIFQHSNJXFXQG-ZIFCJYIRSA-N 0 0 428.554 3.543 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)CC2 ZINC000034896528 556586047 /nfs/dbraw/zinc/58/60/47/556586047.db2.gz VMFRXLRGUXWEOY-JXALWOEJSA-N 0 0 434.536 3.784 50 0 IHAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1 ZINC000032913099 556587272 /nfs/dbraw/zinc/58/72/72/556587272.db2.gz GVRVHZKSPHARBJ-OAHLLOKOSA-N 0 0 442.006 3.778 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000032972152 556590065 /nfs/dbraw/zinc/59/00/65/556590065.db2.gz QQSFNXROMSSKQR-OAQYLSRUSA-N 0 0 442.537 3.880 50 0 IHAARN Cn1ccnc1[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016262136 556595197 /nfs/dbraw/zinc/59/51/97/556595197.db2.gz JLEVCUGRYKXOCB-HKUYNNGSSA-N 0 0 446.338 3.732 50 0 IHAARN COC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I ZINC000016265682 556595336 /nfs/dbraw/zinc/59/53/36/556595336.db2.gz UEMAIEVRWDLYNO-XNTDXEJSSA-N 0 0 441.652 3.889 50 0 IHAARN COc1ccc(Br)cc1[C@H]1NC(=S)N=C(C)C1C(=O)OCc1ccccc1 ZINC000016266288 556595603 /nfs/dbraw/zinc/59/56/03/556595603.db2.gz FHSZHOCTDMSCST-GOSISDBHSA-N 0 0 447.354 3.994 50 0 IHAARN CSc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000032974007 556596029 /nfs/dbraw/zinc/59/60/29/556596029.db2.gz HZVPCTLTPAUSMU-UHFFFAOYSA-N 0 0 432.611 3.824 50 0 IHAARN COc1ccc(-c2nnsc2C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000036355044 556597303 /nfs/dbraw/zinc/59/73/03/556597303.db2.gz TYIDNDOFHMIZNM-UHFFFAOYSA-N 0 0 429.929 3.991 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCSCC3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000071761919 556598059 /nfs/dbraw/zinc/59/80/59/556598059.db2.gz SZWVQQQNUCOROH-UHFFFAOYSA-N 0 0 442.522 3.591 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)C1 ZINC000100861237 556598094 /nfs/dbraw/zinc/59/80/94/556598094.db2.gz NJVMRSDZOGICRK-OESDUMLDSA-N 0 0 447.557 3.541 50 0 IHAARN CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1 ZINC000071768526 556598686 /nfs/dbraw/zinc/59/86/86/556598686.db2.gz ORHDYTVYNCQSGV-UHFFFAOYSA-N 0 0 426.839 3.602 50 0 IHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000016344173 556601067 /nfs/dbraw/zinc/60/10/67/556601067.db2.gz WJGNMVSIQBRJAI-DYESRHJHSA-N 0 0 440.540 3.879 50 0 IHAARN CCNC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H](C)CC ZINC000037401168 556602940 /nfs/dbraw/zinc/60/29/40/556602940.db2.gz FBEOAALQVGPMMN-INIZCTEOSA-N 0 0 447.557 3.743 50 0 IHAARN Cc1cccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000032987257 556607213 /nfs/dbraw/zinc/60/72/13/556607213.db2.gz WGHJASZBCDBKPT-UHFFFAOYSA-N 0 0 430.530 3.788 50 0 IHAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1ccc(F)cc1 ZINC000032987264 556607248 /nfs/dbraw/zinc/60/72/48/556607248.db2.gz RZGYPXHARTVGCC-UHFFFAOYSA-N 0 0 434.493 3.618 50 0 IHAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016448028 556608280 /nfs/dbraw/zinc/60/82/80/556608280.db2.gz INGDAWMQPSZDFE-UHFFFAOYSA-N 0 0 433.917 3.977 50 0 IHAARN CN(c1ccc(OC(=O)C[C@H]2OC(=O)c3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000032991095 556609681 /nfs/dbraw/zinc/60/96/81/556609681.db2.gz BWMGWIGWYNEPNE-OAQYLSRUSA-N 0 0 437.473 3.719 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CCCC(=O)c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022968579 556610799 /nfs/dbraw/zinc/61/07/99/556610799.db2.gz PXGNJODNJKWFTE-AWEZNQCLSA-N 0 0 437.587 3.593 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)c4ccccc4n3C)CC2)c(C)c1 ZINC000032916100 556613540 /nfs/dbraw/zinc/61/35/40/556613540.db2.gz AGFQFVSKBJTZPE-UHFFFAOYSA-N 0 0 445.972 3.595 50 0 IHAARN COCCOCC(=O)Nc1cccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1C ZINC000032915957 556613557 /nfs/dbraw/zinc/61/35/57/556613557.db2.gz IBMLOKRJNIVTJI-UHFFFAOYSA-N 0 0 445.541 3.567 50 0 IHAARN O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)n1cc(Br)cn1 ZINC000038537153 556613653 /nfs/dbraw/zinc/61/36/53/556613653.db2.gz IYMVCKIBDVBTCR-UHFFFAOYSA-N 0 0 434.031 3.664 50 0 IHAARN Cc1csc2ncc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)n12 ZINC000016649423 556620339 /nfs/dbraw/zinc/62/03/39/556620339.db2.gz HHEGTMPZMNVWGM-UHFFFAOYSA-N 0 0 444.560 3.612 50 0 IHAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100564968 556620652 /nfs/dbraw/zinc/62/06/52/556620652.db2.gz LLATXXZJLCJMCN-BDXSIMOUSA-N 0 0 445.302 3.731 50 0 IHAARN COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C)Sc2ccc(C)cc2)n1 ZINC000016679126 556623443 /nfs/dbraw/zinc/62/34/43/556623443.db2.gz IKOGSDQRBSBDNJ-AWEZNQCLSA-N 0 0 425.514 3.738 50 0 IHAARN COc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC ZINC000060300416 556628342 /nfs/dbraw/zinc/62/83/42/556628342.db2.gz IYTJOSYSUWTJLB-GJZGRUSLSA-N 0 0 447.329 3.910 50 0 IHAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000061473469 556635830 /nfs/dbraw/zinc/63/58/30/556635830.db2.gz FFRVDFYZJYEERU-KDURUIRLSA-N 0 0 448.571 3.944 50 0 IHAARN COc1ccccc1/C=C/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O ZINC000016742275 556636017 /nfs/dbraw/zinc/63/60/17/556636017.db2.gz FGLCLJKWCRZJNI-HLLOXFMXSA-N 0 0 447.516 3.560 50 0 IHAARN Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000016742499 556636337 /nfs/dbraw/zinc/63/63/37/556636337.db2.gz XINMQEIHTTXSMM-CQSZACIVSA-N 0 0 448.393 3.958 50 0 IHAARN CCc1nn2c(ncc3c2ccn(NC(=O)c2cccnc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397543 556639683 /nfs/dbraw/zinc/63/96/83/556639683.db2.gz OJLWMLLTDPLKIC-UHFFFAOYSA-N 0 0 444.882 3.706 50 0 IHAARN CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1Cl ZINC000032922361 556645314 /nfs/dbraw/zinc/64/53/14/556645314.db2.gz LMXLNLFYCFWRJZ-KRWDZBQOSA-N 0 0 440.830 3.691 50 0 IHAARN O=C(Nc1cccc(F)c1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016846357 556647068 /nfs/dbraw/zinc/64/70/68/556647068.db2.gz XCHRZMSULCHFIA-UHFFFAOYSA-N 0 0 445.541 3.650 50 0 IHAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000016846337 556647090 /nfs/dbraw/zinc/64/70/90/556647090.db2.gz NZPFCWDUEARXKR-UHFFFAOYSA-N 0 0 441.578 3.820 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000016876809 556647968 /nfs/dbraw/zinc/64/79/68/556647968.db2.gz ITVOUIXQTLHKLR-UHFFFAOYSA-N 0 0 438.509 3.909 50 0 IHAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000016903074 556648846 /nfs/dbraw/zinc/64/88/46/556648846.db2.gz JDNPASRPBICMKE-QZTJIDSGSA-N 0 0 437.540 3.599 50 0 IHAARN O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011739294 556649250 /nfs/dbraw/zinc/64/92/50/556649250.db2.gz JCYXIQOIVFAESG-UHFFFAOYSA-N 0 0 438.387 3.951 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c(Br)c1 ZINC000016925858 556649357 /nfs/dbraw/zinc/64/93/57/556649357.db2.gz NRRKZAUWTYJBJB-UHFFFAOYSA-N 0 0 428.286 3.646 50 0 IHAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2cccnc2)ccc1=O ZINC000011745604 556650028 /nfs/dbraw/zinc/65/00/28/556650028.db2.gz CCJWIIYVIPIIHS-UHFFFAOYSA-N 0 0 431.521 3.557 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751562 556650992 /nfs/dbraw/zinc/65/09/92/556650992.db2.gz KEAFODRXIJHECG-DJJJIMSYSA-N 0 0 425.510 3.851 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000016976402 556652109 /nfs/dbraw/zinc/65/21/09/556652109.db2.gz PVUDQIFRUJYAQI-UHFFFAOYSA-N 0 0 442.294 3.807 50 0 IHAARN CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 ZINC000011758528 556652998 /nfs/dbraw/zinc/65/29/98/556652998.db2.gz GNWUXAOFPVFHIH-UHFFFAOYSA-N 0 0 438.488 3.538 50 0 IHAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)cc3)csc2n1 ZINC000011770693 556654428 /nfs/dbraw/zinc/65/44/28/556654428.db2.gz FLJUAYBWKDDLAY-CQSZACIVSA-N 0 0 449.488 3.866 50 0 IHAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)cc3)csc2n1 ZINC000011770700 556654439 /nfs/dbraw/zinc/65/44/39/556654439.db2.gz FLJUAYBWKDDLAY-AWEZNQCLSA-N 0 0 449.488 3.866 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000248076511 556661093 /nfs/dbraw/zinc/66/10/93/556661093.db2.gz BNCRVEMSACYJEW-OLKYXYMISA-N 0 0 435.483 3.757 50 0 IHAARN CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000011854730 556661732 /nfs/dbraw/zinc/66/17/32/556661732.db2.gz OBTMCNARGMGOKL-UHFFFAOYSA-N 0 0 449.492 3.618 50 0 IHAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(C)c(I)c1 ZINC000011867890 556667548 /nfs/dbraw/zinc/66/75/48/556667548.db2.gz JVRVQTFTSJMLDU-UHFFFAOYSA-N 0 0 439.249 3.828 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc12 ZINC000017107773 556667545 /nfs/dbraw/zinc/66/75/45/556667545.db2.gz CKGBMRLMBSZSQP-AWEZNQCLSA-N 0 0 440.525 3.593 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)N1CCC2(C[C@H]2C(=O)NCCC2=CCCCC2)CC1 ZINC000011881694 556668707 /nfs/dbraw/zinc/66/87/07/556668707.db2.gz JZJHGCYMXPOMRY-NRFANRHFSA-N 0 0 438.568 3.983 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000017125663 556668850 /nfs/dbraw/zinc/66/88/50/556668850.db2.gz SVRAMGCLSLEIET-UHFFFAOYSA-N 0 0 438.427 3.585 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2C2CC2)cc1 ZINC000011894733 556669262 /nfs/dbraw/zinc/66/92/62/556669262.db2.gz ZSOYQTOMNAOHNA-UHFFFAOYSA-N 0 0 448.614 3.902 50 0 IHAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011913834 556672723 /nfs/dbraw/zinc/67/27/23/556672723.db2.gz CUPBQKNYJZVQCH-ZDUSSCGKSA-N 0 0 432.723 3.525 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)cc1 ZINC000017307901 556675096 /nfs/dbraw/zinc/67/50/96/556675096.db2.gz ZBXVYDJHWZZLNS-UHFFFAOYSA-N 0 0 425.514 3.568 50 0 IHAARN Cc1ccc(N2N=C(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)CCC2=O)cc1Cl ZINC000011954783 556676777 /nfs/dbraw/zinc/67/67/77/556676777.db2.gz UYIJWTLLDUPXHU-OAHLLOKOSA-N 0 0 439.899 3.652 50 0 IHAARN CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000011965665 556677471 /nfs/dbraw/zinc/67/74/71/556677471.db2.gz NYHLLXXGHXJUSM-UHFFFAOYSA-N 0 0 444.582 3.837 50 0 IHAARN Cn1c2nnc(COC(=O)c3ccccc3CCc3ccccc3)n2c2ccsc2c1=O ZINC000032933369 556677601 /nfs/dbraw/zinc/67/76/01/556677601.db2.gz XRYNNOCRLGURPE-UHFFFAOYSA-N 0 0 444.516 3.785 50 0 IHAARN CC(=O)NCCCCCC(=O)OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000032936170 556679008 /nfs/dbraw/zinc/67/90/08/556679008.db2.gz TZCDUIFEEPLAEF-OAQYLSRUSA-N 0 0 439.512 3.505 50 0 IHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012004121 556680258 /nfs/dbraw/zinc/68/02/58/556680258.db2.gz FVORCEJPSNENAI-UHFFFAOYSA-N 0 0 432.807 3.678 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325784 556680376 /nfs/dbraw/zinc/68/03/76/556680376.db2.gz HSYQQOGZVKQAKO-FQEVSTJZSA-N 0 0 429.586 3.979 50 0 IHAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(C(C)(C)C)s4)CC3=O)c2c1 ZINC000018217640 556687336 /nfs/dbraw/zinc/68/73/36/556687336.db2.gz LNJVUGMWKYBBEN-HNNXBMFYSA-N 0 0 425.558 3.655 50 0 IHAARN Cc1ccc(CNC(=O)CC(C)(C)Cc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000046005822 556689864 /nfs/dbraw/zinc/68/98/64/556689864.db2.gz RJXDIBQVDKLYCO-UHFFFAOYSA-N 0 0 447.514 3.603 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000136678469 556691819 /nfs/dbraw/zinc/69/18/19/556691819.db2.gz QJCURQTXLXBLPY-OKZBNKHCSA-N 0 0 446.732 3.638 50 0 IHAARN COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000033024145 556694875 /nfs/dbraw/zinc/69/48/75/556694875.db2.gz QRGHLDDLDYQVKT-OAHLLOKOSA-N 0 0 448.313 3.719 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137568852 556697296 /nfs/dbraw/zinc/69/72/96/556697296.db2.gz IYRVNKAGCDPRBN-YTFSRNRJSA-N 0 0 445.450 3.835 50 0 IHAARN COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3ccc(Br)cn3)C2)cc1OC ZINC000253475204 556697701 /nfs/dbraw/zinc/69/77/01/556697701.db2.gz PWWAXVBTCYYALG-YCOJEUHLSA-N 0 0 433.302 3.554 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccccc2NS(=O)(=O)CC)C[C@@H]1c1ccc(C)cc1 ZINC000072314464 556701475 /nfs/dbraw/zinc/70/14/75/556701475.db2.gz ZSEKQBWQKWEABE-OAQYLSRUSA-N 0 0 449.598 3.648 50 0 IHAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000033025943 556702004 /nfs/dbraw/zinc/70/20/04/556702004.db2.gz LKAZWZMQDNNSFO-UHFFFAOYSA-N 0 0 428.492 3.807 50 0 IHAARN O=c1cc(CSc2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccn12 ZINC000033026317 556703288 /nfs/dbraw/zinc/70/32/88/556703288.db2.gz PXVAWSSHWSBRHI-UHFFFAOYSA-N 0 0 441.509 3.927 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 ZINC000033031620 556710799 /nfs/dbraw/zinc/71/07/99/556710799.db2.gz SCCNRDBJMCCPNG-UHFFFAOYSA-N 0 0 435.455 3.989 50 0 IHAARN O=C(C1CCN(c2ncccc2-n2cccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000033034610 556716636 /nfs/dbraw/zinc/71/66/36/556716636.db2.gz GMYAOCWWLVOSFL-UHFFFAOYSA-N 0 0 433.531 3.577 50 0 IHAARN COc1cc(NC(=O)CSc2ccc(-n3nc(C)cc3C)nn2)c(OC)cc1Cl ZINC000011142288 556728341 /nfs/dbraw/zinc/72/83/41/556728341.db2.gz QWIQXXKUQISBNK-UHFFFAOYSA-N 0 0 433.921 3.681 50 0 IHAARN Cc1noc(C)c1CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000060357495 556731472 /nfs/dbraw/zinc/73/14/72/556731472.db2.gz MDYJDINIYDZPTD-UHFFFAOYSA-N 0 0 428.333 3.656 50 0 IHAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 ZINC000019296756 556734478 /nfs/dbraw/zinc/73/44/78/556734478.db2.gz USSPFKVDEFFJCK-RDGATRHJSA-N 0 0 445.544 3.656 50 0 IHAARN NC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000078903220 556736351 /nfs/dbraw/zinc/73/63/51/556736351.db2.gz MUDLAPSUFABBTE-UHFFFAOYSA-N 0 0 428.901 3.788 50 0 IHAARN CCCCN(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000078935107 556736975 /nfs/dbraw/zinc/73/69/75/556736975.db2.gz XFVBHBNJKUILBU-OAHLLOKOSA-N 0 0 439.988 3.838 50 0 IHAARN Cc1c(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cnccc21 ZINC000079025351 556737749 /nfs/dbraw/zinc/73/77/49/556737749.db2.gz SZXRXNNZCXHCPR-OAHLLOKOSA-N 0 0 439.479 3.589 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000079069759 556738047 /nfs/dbraw/zinc/73/80/47/556738047.db2.gz XZMQAQMSAIQWGE-NSHDSACASA-N 0 0 430.295 3.645 50 0 IHAARN CO[C@@H]1CCCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000055575748 556742827 /nfs/dbraw/zinc/74/28/27/556742827.db2.gz GANDASARPSYVPU-HXUWFJFHSA-N 0 0 438.959 3.797 50 0 IHAARN Cc1cccc(Cn2c(SCc3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000678144 556748201 /nfs/dbraw/zinc/74/82/01/556748201.db2.gz AOCHUNQIEDKKDL-UHFFFAOYSA-N 0 0 426.929 3.726 50 0 biogenic,in-vitro IHAARN O=C(CC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1)N1CCCC1 ZINC000057985006 556750198 /nfs/dbraw/zinc/75/01/98/556750198.db2.gz SYQKMPONTCVKMQ-UHFFFAOYSA-N 0 0 436.581 3.648 50 0 IHAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000057996021 556751676 /nfs/dbraw/zinc/75/16/76/556751676.db2.gz RJXTTZQVMKPTJF-GOSISDBHSA-N 0 0 448.420 3.824 50 0 IHAARN CCc1cccc(CC)c1NC(=O)C(=O)NCC[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000057996043 556751685 /nfs/dbraw/zinc/75/16/85/556751685.db2.gz GRGHQCFZQQNFCT-FQEVSTJZSA-N 0 0 426.435 3.608 50 0 IHAARN Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc(Cn4cncn4)cc3)c2)cs1 ZINC000010655856 556752732 /nfs/dbraw/zinc/75/27/32/556752732.db2.gz HSRPIIYJIDLRLC-UHFFFAOYSA-N 0 0 433.493 3.554 50 0 IHAARN Cc1ccc(C)n1-c1c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000058014424 556753655 /nfs/dbraw/zinc/75/36/55/556753655.db2.gz PMHZDZZKYTXZMX-UHFFFAOYSA-N 0 0 425.964 3.829 50 0 IHAARN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000058099362 556757917 /nfs/dbraw/zinc/75/79/17/556757917.db2.gz SOYSQFJFARUSNR-KDOFPFPSSA-N 0 0 428.510 3.710 50 0 IHAARN O=C(NCc1noc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000058144723 556761456 /nfs/dbraw/zinc/76/14/56/556761456.db2.gz LRLHHOKITZZVNU-QGZVFWFLSA-N 0 0 445.306 3.964 50 0 IHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(N)c2)cc1 ZINC000061894658 556762133 /nfs/dbraw/zinc/76/21/33/556762133.db2.gz WTUZUVLFMSBLBZ-HSZRJFAPSA-N 0 0 429.476 3.812 50 0 IHAARN COc1ccc(CNC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001439 556764352 /nfs/dbraw/zinc/76/43/52/556764352.db2.gz MRHDICINBVNCTI-PJQLUOCWSA-N 0 0 439.508 3.974 50 0 biogenic IHAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N=c1[nH]c3ccccc3[nH]1)C(=O)OC2 ZINC000062001683 556764610 /nfs/dbraw/zinc/76/46/10/556764610.db2.gz INJSROJHCWVBOR-MDWZMJQESA-N 0 0 435.480 3.586 50 0 biogenic IHAARN O=C(CN1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1)N1CCCCCC1 ZINC000058160628 556764640 /nfs/dbraw/zinc/76/46/40/556764640.db2.gz VWVZUMOYRWTHCF-UHFFFAOYSA-N 0 0 435.597 3.883 50 0 IHAARN O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000058160973 556764869 /nfs/dbraw/zinc/76/48/69/556764869.db2.gz UKBNGKMNMLJDEG-FQEVSTJZSA-N 0 0 429.904 3.987 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 ZINC000062007380 556765699 /nfs/dbraw/zinc/76/56/99/556765699.db2.gz DGDFSZDKYKABAB-UHFFFAOYSA-N 0 0 432.455 3.588 50 0 IHAARN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cnc2n(c1=O)CCS2 ZINC000058166671 556766766 /nfs/dbraw/zinc/76/67/66/556766766.db2.gz MAJOMKTXCHPUSX-UHFFFAOYSA-N 0 0 445.298 3.551 50 0 IHAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000058175101 556769111 /nfs/dbraw/zinc/76/91/11/556769111.db2.gz AYMRJRDJJQJWPU-GJZGRUSLSA-N 0 0 443.388 3.905 50 0 IHAARN COC(=O)[C@@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc(F)cc1 ZINC000058203112 556771514 /nfs/dbraw/zinc/77/15/14/556771514.db2.gz WWQKXCCLDGWDIH-GOSISDBHSA-N 0 0 426.513 3.943 50 0 IHAARN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058209068 556771658 /nfs/dbraw/zinc/77/16/58/556771658.db2.gz KKPPRMZCBQPQIH-JOCHJYFZSA-N 0 0 440.496 3.589 50 0 IHAARN CN(C[C@H]1CCCO1)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000058216916 556772587 /nfs/dbraw/zinc/77/25/87/556772587.db2.gz LIHDAXHFHMYYJL-OAHLLOKOSA-N 0 0 430.599 3.867 50 0 IHAARN COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000058264048 556776086 /nfs/dbraw/zinc/77/60/86/556776086.db2.gz TWPFYBDNMWEPGK-QFIPXVFZSA-N 0 0 440.496 3.983 50 0 IHAARN CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000058305377 556779071 /nfs/dbraw/zinc/77/90/71/556779071.db2.gz GJNXRODSASCUHH-SFHVURJKSA-N 0 0 435.307 3.897 50 0 IHAARN CCN(CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC(C)(C)C ZINC000058307504 556779364 /nfs/dbraw/zinc/77/93/64/556779364.db2.gz JZQXQXOKNDAVTL-HZPDHXFCSA-N 0 0 438.544 3.818 50 0 IHAARN COc1ccc(NC(=O)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c(OC)c1 ZINC000058314172 556780353 /nfs/dbraw/zinc/78/03/53/556780353.db2.gz YAWBSMAJYGULII-UHFFFAOYSA-N 0 0 438.455 3.677 50 0 IHAARN O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000058402515 556785384 /nfs/dbraw/zinc/78/53/84/556785384.db2.gz PJLMCMOPZZEENE-LIRRHRJNSA-N 0 0 438.471 3.766 50 0 IHAARN CS(=O)(=O)Nc1ccc(OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000058406764 556786116 /nfs/dbraw/zinc/78/61/16/556786116.db2.gz KUCQRLCBDLZKCT-UHFFFAOYSA-N 0 0 425.510 3.867 50 0 IHAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H]4CCCC[C@@H]4C)cc3C2=O)c1 ZINC000011184898 556792229 /nfs/dbraw/zinc/79/22/29/556792229.db2.gz OIGSXDCTTRQHGT-KKSFZXQISA-N 0 0 448.519 3.956 50 0 IHAARN Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000058935095 556793012 /nfs/dbraw/zinc/79/30/12/556793012.db2.gz UJAHOXWCYZFTPY-FUHIMQAGSA-N 0 0 436.618 3.638 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@H](C)C2 ZINC000014692402 556793069 /nfs/dbraw/zinc/79/30/69/556793069.db2.gz YEFOAORQXAOVJQ-YEBMWUKDSA-N 0 0 432.513 3.891 50 0 biogenic,in-vitro IHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(F)cc3)o2)cc1 ZINC000011195067 556796619 /nfs/dbraw/zinc/79/66/19/556796619.db2.gz SHOBQNAFQADQGF-GFCCVEGCSA-N 0 0 430.461 3.865 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 ZINC000062163511 556797887 /nfs/dbraw/zinc/79/78/87/556797887.db2.gz QJRRUKZBVSHQLS-UHFFFAOYSA-N 0 0 440.935 3.796 50 0 IHAARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c(C)n1C[C@H]1CCCO1 ZINC000005414200 556798754 /nfs/dbraw/zinc/79/87/54/556798754.db2.gz DHIBAMCLMCAXEV-GOSISDBHSA-N 0 0 425.558 3.851 50 0 IHAARN Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1cccc(F)c1 ZINC000072401268 556800271 /nfs/dbraw/zinc/80/02/71/556800271.db2.gz SKGUSYRUEPPELL-PSXSOWLISA-N 0 0 448.545 3.891 50 0 IHAARN CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)s1 ZINC000072401797 556801451 /nfs/dbraw/zinc/80/14/51/556801451.db2.gz VZXMDPAPBBYZHL-KXBFYZLASA-N 0 0 440.569 3.770 50 0 IHAARN COc1cc(OC)c2c(C)c(CC(=O)NCCn3ccc4ccc(F)cc43)c(=O)oc2c1 ZINC000072402088 556802378 /nfs/dbraw/zinc/80/23/78/556802378.db2.gz IUTPDNYVTHWKBB-UHFFFAOYSA-N 0 0 438.455 3.571 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000059749642 556803929 /nfs/dbraw/zinc/80/39/29/556803929.db2.gz CMIINMXXQJDKQX-UHFFFAOYSA-N 0 0 440.510 3.528 50 0 IHAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000059741004 556803956 /nfs/dbraw/zinc/80/39/56/556803956.db2.gz WRFZHIAKGWBWOQ-MRXNPFEDSA-N 0 0 425.495 3.639 50 0 IHAARN CN(C)C(=O)N1CCC(C(=O)Nc2nnc(SCCCc3ccccc3)s2)CC1 ZINC000059759902 556804197 /nfs/dbraw/zinc/80/41/97/556804197.db2.gz DNOQRNARCZSGAF-UHFFFAOYSA-N 0 0 433.603 3.595 50 0 IHAARN O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(Cl)cc1F ZINC000003232820 556806340 /nfs/dbraw/zinc/80/63/40/556806340.db2.gz ILNHCPNZQRNNER-UHFFFAOYSA-N 0 0 433.604 3.879 50 0 IHAARN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000060376667 556807591 /nfs/dbraw/zinc/80/75/91/556807591.db2.gz WKWDLDBEHIPQKO-UHFFFAOYSA-N 0 0 435.790 3.583 50 0 IHAARN C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(F)c1 ZINC000011202130 556809670 /nfs/dbraw/zinc/80/96/70/556809670.db2.gz KLBYZTLEUWIKIQ-CQSZACIVSA-N 0 0 425.426 3.762 50 0 IHAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OC(F)F ZINC000003295664 556811027 /nfs/dbraw/zinc/81/10/27/556811027.db2.gz SQZFRDUGFPVJFI-MRXNPFEDSA-N 0 0 437.439 3.934 50 0 IHAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061717565 556811062 /nfs/dbraw/zinc/81/10/62/556811062.db2.gz GOVKOPOICXYJMQ-UHFFFAOYSA-N 0 0 446.942 3.978 50 0 IHAARN Cc1cc(NC(=O)C2=C(C)N(C)C(=S)N[C@H]2c2ccc(F)c(Br)c2)no1 ZINC000011204624 556811731 /nfs/dbraw/zinc/81/17/31/556811731.db2.gz HCOTWBOMWWFUKN-HNNXBMFYSA-N 0 0 439.310 3.658 50 0 IHAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCN(C(=O)Nc2ccc(C)cc2C)C4)cc1 ZINC000097942017 556812730 /nfs/dbraw/zinc/81/27/30/556812730.db2.gz OALIZOHYZXAOFI-UHFFFAOYSA-N 0 0 443.507 3.905 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000003405948 556814366 /nfs/dbraw/zinc/81/43/66/556814366.db2.gz KDXHAXYNZGTVGE-UHFFFAOYSA-N 0 0 432.480 3.957 50 0 IHAARN Cc1ccc(-c2nc3c(c(S[C@@H](C)C(=O)N4CCOCC4)n2)COC(C)(C)C3)cc1 ZINC000005477600 556815511 /nfs/dbraw/zinc/81/55/11/556815511.db2.gz HQBVJKISXBYILX-INIZCTEOSA-N 0 0 427.570 3.643 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)CC2)c1C ZINC000003436251 556815546 /nfs/dbraw/zinc/81/55/46/556815546.db2.gz GQCAVAAGRTYWIH-UHFFFAOYSA-N 0 0 438.531 3.965 50 0 IHAARN COc1ccc(-c2nc(Cn3cnc4nc5c(cc4c3=O)CCCC5)c(C)o2)c(OC)c1 ZINC000033059675 556816241 /nfs/dbraw/zinc/81/62/41/556816241.db2.gz KVNQGLXMJZDBJI-UHFFFAOYSA-N 0 0 432.480 3.699 50 0 IHAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003559605 556817597 /nfs/dbraw/zinc/81/75/97/556817597.db2.gz SWSAMPHZPGPENC-UHFFFAOYSA-N 0 0 440.496 3.766 50 0 IHAARN COc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)oc1ccccc12 ZINC000003578875 556817722 /nfs/dbraw/zinc/81/77/22/556817722.db2.gz CDWCYDQRXIGQFV-UHFFFAOYSA-N 0 0 442.468 3.993 50 0 IHAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCCC1 ZINC000033068534 556823974 /nfs/dbraw/zinc/82/39/74/556823974.db2.gz XDNRWVYTNGZIDO-UHFFFAOYSA-N 0 0 439.943 3.704 50 0 IHAARN Cc1ccc(-n2ccn3c(CCCC(=O)NCc4ccccc4Cl)nnc3c2=O)cc1C ZINC000064591447 556825225 /nfs/dbraw/zinc/82/52/25/556825225.db2.gz OKIDDRZXCSTJPI-UHFFFAOYSA-N 0 0 449.942 3.790 50 0 IHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000003117614 556827089 /nfs/dbraw/zinc/82/70/89/556827089.db2.gz GUTZNXOLTUICMM-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000064893634 556828641 /nfs/dbraw/zinc/82/86/41/556828641.db2.gz KBUINYGXXUCEDG-UHFFFAOYSA-N 0 0 435.450 3.655 50 0 IHAARN O=C(c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000064894175 556828831 /nfs/dbraw/zinc/82/88/31/556828831.db2.gz NKXMOCQLOSZDJD-UHFFFAOYSA-N 0 0 449.457 3.883 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000065003512 556831505 /nfs/dbraw/zinc/83/15/05/556831505.db2.gz AVIZPHNDBYKTMO-QGZVFWFLSA-N 0 0 436.533 3.765 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 ZINC000019615126 556831670 /nfs/dbraw/zinc/83/16/70/556831670.db2.gz YOOJIGDCRQSTMP-KWJFTMPMSA-N 0 0 442.585 3.723 50 0 IHAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCC2)nn1 ZINC000065364254 556835433 /nfs/dbraw/zinc/83/54/33/556835433.db2.gz JYUIQGIIFKZHGL-SFHVURJKSA-N 0 0 432.528 3.834 50 0 IHAARN Cc1nc(COc2cccc(C(=O)N(CCN3CCOCC3)C3CCCC3)c2)cs1 ZINC000062580577 556836475 /nfs/dbraw/zinc/83/64/75/556836475.db2.gz NVCJWGGBIZLYCT-UHFFFAOYSA-N 0 0 429.586 3.748 50 0 IHAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1C ZINC000334160885 556837043 /nfs/dbraw/zinc/83/70/43/556837043.db2.gz ODEZVKRZZZSYOR-JOCHJYFZSA-N 0 0 444.535 3.629 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CC[C@H](C)C2 ZINC000019643956 556838778 /nfs/dbraw/zinc/83/87/78/556838778.db2.gz XWUUQXOEHVIPEC-AWEZNQCLSA-N 0 0 445.610 3.884 50 0 IHAARN O=C(Cn1c2ccccc2c2nc(-c3ccccc3)nn2c1=O)NCc1ccccc1Cl ZINC000062639787 556841385 /nfs/dbraw/zinc/84/13/85/556841385.db2.gz ZHYMGVIHCHVQLN-UHFFFAOYSA-N 0 0 443.894 3.681 50 0 IHAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccccc4F)c(=O)n3n2)c1 ZINC000062639790 556841425 /nfs/dbraw/zinc/84/14/25/556841425.db2.gz CXBGZNOLCWFYOA-UHFFFAOYSA-N 0 0 427.439 3.797 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc(Br)s1 ZINC000008719112 556842865 /nfs/dbraw/zinc/84/28/65/556842865.db2.gz RLPRVCRVPNUULJ-IBGZPJMESA-N 0 0 433.327 3.867 50 0 IHAARN Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2Cl)c1 ZINC000008720475 556843164 /nfs/dbraw/zinc/84/31/64/556843164.db2.gz GMKNQCKYVHVTNG-ZDUSSCGKSA-N 0 0 429.933 3.880 50 0 IHAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008720034 556843185 /nfs/dbraw/zinc/84/31/85/556843185.db2.gz WMFQYMJTEHHKME-UHFFFAOYSA-N 0 0 444.582 3.572 50 0 IHAARN Cc1ccccc1OCCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000008721311 556843433 /nfs/dbraw/zinc/84/34/33/556843433.db2.gz LEJODOFXXKQLJO-UHFFFAOYSA-N 0 0 428.510 3.712 50 0 IHAARN COc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1 ZINC000008746229 556845403 /nfs/dbraw/zinc/84/54/03/556845403.db2.gz GIQBARKAFIYBMI-UHFFFAOYSA-N 0 0 428.488 3.654 50 0 IHAARN COc1cccc(C(=O)C[C@]2(O)c3ccccc3N(CCOc3ccccc3OC)C2=O)c1 ZINC000068713431 556849499 /nfs/dbraw/zinc/84/94/99/556849499.db2.gz SVJGPJRWGLKUER-SANMLTNESA-N 0 0 447.487 3.590 50 0 IHAARN CCOc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1OCC ZINC000033070971 556851268 /nfs/dbraw/zinc/85/12/68/556851268.db2.gz TXXIERBFEZHJEC-UHFFFAOYSA-N 0 0 436.556 3.936 50 0 IHAARN O=C(/C=C/c1cc(Br)ccc1F)OCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000008877149 556851528 /nfs/dbraw/zinc/85/15/28/556851528.db2.gz RTEAZFSHUKVPES-RMKNXTFCSA-N 0 0 446.232 3.833 50 0 IHAARN Cc1cc(S[C@H](C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087839 556855510 /nfs/dbraw/zinc/85/55/10/556855510.db2.gz MFUVVXCOOKTYRW-OAHLLOKOSA-N 0 0 429.567 3.913 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000033088302 556856179 /nfs/dbraw/zinc/85/61/79/556856179.db2.gz YPLFBXOVKNOBRG-UHFFFAOYSA-N 0 0 436.512 3.901 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3ccc(OC)cc3OC)sc2c1 ZINC000033088205 556856298 /nfs/dbraw/zinc/85/62/98/556856298.db2.gz JBVWGLJEJJVWRJ-OAHLLOKOSA-N 0 0 436.493 3.982 50 0 IHAARN CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000004662413 556859644 /nfs/dbraw/zinc/85/96/44/556859644.db2.gz JBRWSEXKCQVTGY-UHFFFAOYSA-N 0 0 430.932 3.884 50 0 IHAARN COc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)NC4CCCC4)C3)s2)cc1 ZINC000033113130 556859787 /nfs/dbraw/zinc/85/97/87/556859787.db2.gz JHJPZBJRRHRJLQ-AWEZNQCLSA-N 0 0 429.546 3.631 50 0 IHAARN COc1cccc(CNC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128203 556865246 /nfs/dbraw/zinc/86/52/46/556865246.db2.gz YDJXATFRTIFXEB-HNNXBMFYSA-N 0 0 443.956 4.000 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1 ZINC000033125715 556866691 /nfs/dbraw/zinc/86/66/91/556866691.db2.gz VESWWINFCZIHAU-MRXNPFEDSA-N 0 0 441.915 3.677 50 0 IHAARN CSc1ccc(CNC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000033125724 556866720 /nfs/dbraw/zinc/86/67/20/556866720.db2.gz LMSZULRQRISNHL-HNNXBMFYSA-N 0 0 443.956 4.000 50 0 IHAARN COc1ccc(CNC(=O)CSc2scnc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033126180 556866949 /nfs/dbraw/zinc/86/69/49/556866949.db2.gz RKKWKSZHTJNBGC-UHFFFAOYSA-N 0 0 448.591 3.701 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129745 556868910 /nfs/dbraw/zinc/86/89/10/556868910.db2.gz YEEPMRGNAABSLU-UHFFFAOYSA-N 0 0 427.570 3.516 50 0 IHAARN Cc1cccc(NC(=O)N2CCN(CCn3c(-c4ccncc4)nc4cccnc43)CC2)c1 ZINC000033139786 556874448 /nfs/dbraw/zinc/87/44/48/556874448.db2.gz IMYZKJITGGSHSI-UHFFFAOYSA-N 0 0 441.539 3.651 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033171027 556881729 /nfs/dbraw/zinc/88/17/29/556881729.db2.gz PVVWWMMXXVVQBW-RAXLEYEMSA-N 0 0 441.509 3.599 50 0 IHAARN COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000033171419 556882376 /nfs/dbraw/zinc/88/23/76/556882376.db2.gz WTPZSPMLSYSJFR-UHFFFAOYSA-N 0 0 440.500 3.639 50 0 IHAARN CCn1c(=O)c2snc(-c3ccc(C)cc3)c2nc1SCC(=O)NCc1ccco1 ZINC000033174520 556884166 /nfs/dbraw/zinc/88/41/66/556884166.db2.gz DWIPYCNQPWHMNU-UHFFFAOYSA-N 0 0 440.550 3.850 50 0 IHAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccccc1Br ZINC000033169796 556884950 /nfs/dbraw/zinc/88/49/50/556884950.db2.gz NJEIDXZDBVSDLK-LBPRGKRZSA-N 0 0 427.258 3.605 50 0 IHAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccccc1 ZINC000033169900 556885056 /nfs/dbraw/zinc/88/50/56/556885056.db2.gz XQXQZIPTCNVECT-ZDUSSCGKSA-N 0 0 432.358 3.741 50 0 IHAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3cccc(Br)c3)cc2)nc2cccnc21 ZINC000033170403 556885697 /nfs/dbraw/zinc/88/56/97/556885697.db2.gz OZEIVMMVEYIDHC-UHFFFAOYSA-N 0 0 449.308 3.688 50 0 IHAARN CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)nc2cccnc21 ZINC000033170452 556885701 /nfs/dbraw/zinc/88/57/01/556885701.db2.gz WLHAHQYPHIIDMB-UHFFFAOYSA-N 0 0 442.475 3.527 50 0 IHAARN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000033170639 556886072 /nfs/dbraw/zinc/88/60/72/556886072.db2.gz BEJVIBKUPBVWRV-LUAWRHEFSA-N 0 0 433.530 3.685 50 0 IHAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000004699314 556887276 /nfs/dbraw/zinc/88/72/76/556887276.db2.gz SKGLQBSSODAWOO-MRXNPFEDSA-N 0 0 429.590 3.638 50 0 IHAARN COc1cccc(NC(=O)C2CCN(c3nc(-c4ccc(OC)c(OC)c4)no3)CC2)c1 ZINC000033249134 556889693 /nfs/dbraw/zinc/88/96/93/556889693.db2.gz QHBXTSMRARYWON-UHFFFAOYSA-N 0 0 438.484 3.618 50 0 IHAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000004712742 556890356 /nfs/dbraw/zinc/89/03/56/556890356.db2.gz QRVLGYFFRFSEPD-YMISUZCDSA-N 0 0 428.598 4.000 50 0 IHAARN O=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033258446 556896175 /nfs/dbraw/zinc/89/61/75/556896175.db2.gz LCHIABMUPLKOLT-UHFFFAOYSA-N 0 0 448.479 3.534 50 0 IHAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)o2)n[nH]1 ZINC000033262147 556900176 /nfs/dbraw/zinc/90/01/76/556900176.db2.gz BZLSRYPLAFAQEQ-UHFFFAOYSA-N 0 0 442.541 3.634 50 0 IHAARN O=C(COc1ccc(Br)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019787356 556914265 /nfs/dbraw/zinc/91/42/65/556914265.db2.gz WRAAMQSIINUQQB-UHFFFAOYSA-N 0 0 428.330 3.654 50 0 IHAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCCCC1 ZINC000019798841 556916759 /nfs/dbraw/zinc/91/67/59/556916759.db2.gz FPNVFBMQMMHNBH-UHFFFAOYSA-N 0 0 439.585 3.918 50 0 IHAARN O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000019819344 556922560 /nfs/dbraw/zinc/92/25/60/556922560.db2.gz NSHDVYMSKQJOBL-UHFFFAOYSA-N 0 0 427.913 3.880 50 0 IHAARN Cc1nc([C@H](C)N(C)C(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)o2)c(C)s1 ZINC000019838989 556929145 /nfs/dbraw/zinc/92/91/45/556929145.db2.gz DYPVAZNPJULPQU-LBPRGKRZSA-N 0 0 428.514 3.615 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO ZINC000019840262 556929462 /nfs/dbraw/zinc/92/94/62/556929462.db2.gz GVXIPHFHZWKCAH-DEOSSOPVSA-N 0 0 434.584 3.555 50 0 IHAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857105 556931465 /nfs/dbraw/zinc/93/14/65/556931465.db2.gz JWCIVKVRFCHYAC-MRXNPFEDSA-N 0 0 437.359 3.630 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)cc1 ZINC000033263863 556933499 /nfs/dbraw/zinc/93/34/99/556933499.db2.gz ZBAAERNTWAOHLB-UHFFFAOYSA-N 0 0 444.495 3.882 50 0 IHAARN COCCNC(=O)c1c(NC(=O)COc2c(C)cc(C)cc2C)sc2c1CCCC2 ZINC000019898552 556941138 /nfs/dbraw/zinc/94/11/38/556941138.db2.gz NJQOOMBOFUYLFQ-UHFFFAOYSA-N 0 0 430.570 3.946 50 0 IHAARN CCc1ccc(N2CN(CCN3CCOCC3)CN(c3ccc(CC)cc3)C2=S)cc1 ZINC000019899420 556941765 /nfs/dbraw/zinc/94/17/65/556941765.db2.gz LZWXMBAPMUXBNW-UHFFFAOYSA-N 0 0 438.641 3.972 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000019912868 556943653 /nfs/dbraw/zinc/94/36/53/556943653.db2.gz MIRIQQBJBUKFJZ-PKQRJNJBSA-N 0 0 448.519 3.603 50 0 IHAARN COc1ccc(OC)c(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1 ZINC000020059019 556975571 /nfs/dbraw/zinc/97/55/71/556975571.db2.gz XVXVMQXCUSIMCZ-UHFFFAOYSA-N 0 0 439.516 3.529 50 0 IHAARN CCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccccc2)n(C)c(=O)c(=O)n3C)cc1 ZINC000033265717 556975709 /nfs/dbraw/zinc/97/57/09/556975709.db2.gz JHKSAJFXVCLQOB-UHFFFAOYSA-N 0 0 445.475 3.681 50 0 IHAARN O=C(NCCc1ccccc1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266495 556976857 /nfs/dbraw/zinc/97/68/57/556976857.db2.gz SFYCRNJTGMIXGW-UHFFFAOYSA-N 0 0 425.536 3.972 50 0 IHAARN Cn1cnc(S(=O)(=O)N2CCCc3cc(Br)cc(Cl)c32)c1Cl ZINC000097001452 556978572 /nfs/dbraw/zinc/97/85/72/556978572.db2.gz LKJJXIUBQUQRKO-UHFFFAOYSA-N 0 0 425.135 3.631 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000097087163 556983259 /nfs/dbraw/zinc/98/32/59/556983259.db2.gz CUXKAVWTAUVNLC-DEOSSOPVSA-N 0 0 439.943 3.974 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033268548 556985125 /nfs/dbraw/zinc/98/51/25/556985125.db2.gz FDJNZYWJCUBQII-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC(F)F ZINC000020133595 556987719 /nfs/dbraw/zinc/98/77/19/556987719.db2.gz ZDQDGUZXSPZLSX-SFHVURJKSA-N 0 0 427.411 3.816 50 0 IHAARN CCc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)coc2c1 ZINC000023054946 556988719 /nfs/dbraw/zinc/98/87/19/556988719.db2.gz OFLXTSKBYXJUMR-UHFFFAOYSA-N 0 0 430.526 3.913 50 0 IHAARN O=C(c1cnc2ccccc2c1O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000097136689 556991627 /nfs/dbraw/zinc/99/16/27/556991627.db2.gz XMXDIPNGQPLMGB-UHFFFAOYSA-N 0 0 427.298 3.974 50 0 IHAARN Cc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(Br)cc2)C3)cc1 ZINC000097138943 556991929 /nfs/dbraw/zinc/99/19/29/556991929.db2.gz RLLXKIUAZBLPGS-LJQANCHMSA-N 0 0 441.329 3.593 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C)c(F)c4)CC3)c2c1 ZINC000020213137 556998889 /nfs/dbraw/zinc/99/88/89/556998889.db2.gz UNLKCIUKHCHPPM-UHFFFAOYSA-N 0 0 437.515 3.559 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000020214927 556999210 /nfs/dbraw/zinc/99/92/10/556999210.db2.gz TWQOPPFRWPAHLP-UHFFFAOYSA-N 0 0 432.933 3.821 50 0 IHAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1 ZINC000020353769 557009774 /nfs/dbraw/zinc/00/97/74/557009774.db2.gz PRPYNCSQHQKVSN-IBGZPJMESA-N 0 0 425.391 3.924 50 0 IHAARN O=S(=O)(c1nnn2c1nc(N1CCCCC1)c1ccccc12)c1ccc(Cl)cc1 ZINC000020355919 557010029 /nfs/dbraw/zinc/01/00/29/557010029.db2.gz WMUUFAHUDOSXBO-UHFFFAOYSA-N 0 0 427.917 3.754 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)c(Cl)c1 ZINC000020357140 557011125 /nfs/dbraw/zinc/01/11/25/557011125.db2.gz UKSKGTSIHRWYOG-UHFFFAOYSA-N 0 0 428.945 3.847 50 0 IHAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2cccc3cccnc23)cc1OCC ZINC000098003330 557012500 /nfs/dbraw/zinc/01/25/00/557012500.db2.gz DQJMOVWDZWEWRW-QBFSEMIESA-N 0 0 448.519 3.948 50 0 IHAARN Cc1nn(C)c2nc(OCC(=O)NCc3ccc(OC(C)C)cc3)cc(C(F)(F)F)c12 ZINC000045991555 557017012 /nfs/dbraw/zinc/01/70/12/557017012.db2.gz WROFGEDDISDLLH-UHFFFAOYSA-N 0 0 436.434 3.778 50 0 IHAARN Cc1cc2occ(CC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)c2cc1C ZINC000010688778 557017658 /nfs/dbraw/zinc/01/76/58/557017658.db2.gz NKLSRQPQPMKSPP-UHFFFAOYSA-N 0 0 432.567 3.755 50 0 IHAARN COc1ccc(CC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1OC ZINC000023137360 557019442 /nfs/dbraw/zinc/01/94/42/557019442.db2.gz NBQNMLLJOKFMCP-UHFFFAOYSA-N 0 0 443.594 3.776 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1O ZINC000046017042 557020053 /nfs/dbraw/zinc/02/00/53/557020053.db2.gz LTEBIDDSVSSIER-INIZCTEOSA-N 0 0 437.521 3.569 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)cc1 ZINC000023138704 557022133 /nfs/dbraw/zinc/02/21/33/557022133.db2.gz VPOQGFAYMIFXEQ-OAHLLOKOSA-N 0 0 437.521 3.899 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1OC ZINC000032943983 557022404 /nfs/dbraw/zinc/02/24/04/557022404.db2.gz KUENLUFQZRXMPY-ZDUSSCGKSA-N 0 0 448.566 3.742 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](c2nnc(COc3ccccc3)o2)C1 ZINC000023140421 557022896 /nfs/dbraw/zinc/02/28/96/557022896.db2.gz HYUYKBSGMKNPFJ-KRWDZBQOSA-N 0 0 443.525 3.534 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000046027412 557023257 /nfs/dbraw/zinc/02/32/57/557023257.db2.gz YKBJRWDAVZWICE-UHFFFAOYSA-N 0 0 427.501 3.574 50 0 IHAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000010743594 557023271 /nfs/dbraw/zinc/02/32/71/557023271.db2.gz YTOABASSWZOTRJ-UHFFFAOYSA-N 0 0 442.537 3.616 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)N3CCCCCC3)n2Cc2ccccc2)c1 ZINC000046031305 557024031 /nfs/dbraw/zinc/02/40/31/557024031.db2.gz MLCRBYVKVODOIS-UHFFFAOYSA-N 0 0 439.581 3.956 50 0 IHAARN COc1ccc(-c2ccc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)nn2)cc1 ZINC000023143137 557025085 /nfs/dbraw/zinc/02/50/85/557025085.db2.gz MBHCUHDOAJBZFH-UHFFFAOYSA-N 0 0 428.536 3.954 50 0 IHAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OC)c1OC ZINC000046045539 557025713 /nfs/dbraw/zinc/02/57/13/557025713.db2.gz DMCUTZQZPGYPLP-QGZVFWFLSA-N 0 0 426.513 3.820 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3nc2C)ccc1C ZINC000032944926 557028124 /nfs/dbraw/zinc/02/81/24/557028124.db2.gz FGFSQFMTAHDJBW-UHFFFAOYSA-N 0 0 427.526 3.634 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2nc3ccccc3nc2C)c1 ZINC000032945228 557028611 /nfs/dbraw/zinc/02/86/11/557028611.db2.gz JRPIQYVLWPPMGI-UHFFFAOYSA-N 0 0 427.526 3.634 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000023156931 557029565 /nfs/dbraw/zinc/02/95/65/557029565.db2.gz OBBQVTBCLLFEJW-INIZCTEOSA-N 0 0 434.949 3.823 50 0 IHAARN CCOC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000023156933 557029578 /nfs/dbraw/zinc/02/95/78/557029578.db2.gz OBBQVTBCLLFEJW-MRXNPFEDSA-N 0 0 434.949 3.823 50 0 IHAARN Clc1cc2c(cc1NCc1nnnn1-c1ccccc1Br)OCCCO2 ZINC000072098645 557029891 /nfs/dbraw/zinc/02/98/91/557029891.db2.gz OCRUBSXYUPPLHU-UHFFFAOYSA-N 0 0 436.697 3.852 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)c1 ZINC000046074781 557031010 /nfs/dbraw/zinc/03/10/10/557031010.db2.gz HIHMFGORTLOSEG-MRXNPFEDSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074667 557031089 /nfs/dbraw/zinc/03/10/89/557031089.db2.gz HNPHMCLMXUZZSL-INIZCTEOSA-N 0 0 434.521 3.744 50 0 IHAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000046074953 557031488 /nfs/dbraw/zinc/03/14/88/557031488.db2.gz PZVCLHHTFYXUNR-KRWDZBQOSA-N 0 0 448.548 3.998 50 0 IHAARN COCCCn1c(SCC(=O)N2CCC(C)CC2)nc2c3ccccc3sc2c1=O ZINC000009664973 557032027 /nfs/dbraw/zinc/03/20/27/557032027.db2.gz MEXFONMMDUHNIQ-UHFFFAOYSA-N 0 0 445.610 3.998 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[nH]c(=O)c32)cc1C ZINC000046075589 557032087 /nfs/dbraw/zinc/03/20/87/557032087.db2.gz VBVUHNURCIKRNA-GOSISDBHSA-N 0 0 448.548 3.786 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000046123218 557036864 /nfs/dbraw/zinc/03/68/64/557036864.db2.gz YIVJFNBUEWSDDS-HNNXBMFYSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)COc4ccccc4)C3)s2)cc1 ZINC000046123111 557036901 /nfs/dbraw/zinc/03/69/01/557036901.db2.gz WSBYJNQPNOSIIO-KRWDZBQOSA-N 0 0 436.537 3.884 50 0 IHAARN Cc1nc2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000032947305 557041711 /nfs/dbraw/zinc/04/17/11/557041711.db2.gz UXZVNWVAXPNXMF-INIZCTEOSA-N 0 0 439.537 3.858 50 0 IHAARN CCc1ccc(OCc2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000017251142 557042713 /nfs/dbraw/zinc/04/27/13/557042713.db2.gz AJQUROUGABNRTL-UHFFFAOYSA-N 0 0 429.498 3.958 50 0 IHAARN COc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C ZINC000048234402 557046076 /nfs/dbraw/zinc/04/60/76/557046076.db2.gz AIEIXTDSTJWVLT-DVECYGJZSA-N 0 0 446.551 3.811 50 0 IHAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N(C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000048237061 557047613 /nfs/dbraw/zinc/04/76/13/557047613.db2.gz ZWAJIJKDAXTFEP-BGYRXZFFSA-N 0 0 445.947 3.742 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000033271453 557049111 /nfs/dbraw/zinc/04/91/11/557049111.db2.gz KEEWBCFOEGVTNZ-LJQANCHMSA-N 0 0 443.511 3.722 50 0 IHAARN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000048263060 557050174 /nfs/dbraw/zinc/05/01/74/557050174.db2.gz HBCKTDFWJMCJMD-UHFFFAOYSA-N 0 0 438.553 3.587 50 0 IHAARN COc1ccc(CCNC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033272010 557050832 /nfs/dbraw/zinc/05/08/32/557050832.db2.gz DVCDRDNQBXDWOW-UHFFFAOYSA-N 0 0 436.533 3.782 50 0 biogenic IHAARN Cc1c(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c(=O)n(-c2ccccc2)n1C ZINC000017303378 557051456 /nfs/dbraw/zinc/05/14/56/557051456.db2.gz WSNWUDYCCXEBHF-UHFFFAOYSA-N 0 0 448.552 3.743 50 0 IHAARN Cc1csc(=S)n1CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000022934515 557052127 /nfs/dbraw/zinc/05/21/27/557052127.db2.gz KRRKJWOLTWNSIY-UHFFFAOYSA-N 0 0 446.520 3.700 50 0 IHAARN CCn1c2ccccc2n(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)c(=O)c1=O ZINC000033272559 557052169 /nfs/dbraw/zinc/05/21/69/557052169.db2.gz FDIMMJYLHHRRLG-UHFFFAOYSA-N 0 0 441.531 3.594 50 0 IHAARN COc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCCC4)c4ccccc43)sc2c1 ZINC000033275181 557053553 /nfs/dbraw/zinc/05/35/53/557053553.db2.gz VEACCOLUXJSZLQ-UHFFFAOYSA-N 0 0 435.509 3.529 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)c1 ZINC000033275305 557053918 /nfs/dbraw/zinc/05/39/18/557053918.db2.gz QORSEAPKOAQORD-UHFFFAOYSA-N 0 0 447.495 3.795 50 0 IHAARN Cc1oc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000048288409 557054014 /nfs/dbraw/zinc/05/40/14/557054014.db2.gz UBQKVOOYKMSKJU-UHFFFAOYSA-N 0 0 425.510 3.611 50 0 IHAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000017317014 557057536 /nfs/dbraw/zinc/05/75/36/557057536.db2.gz JMOUPXBGLFNPMW-UHFFFAOYSA-N 0 0 433.434 3.574 50 0 IHAARN CCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccc(C(=O)NC)cc1)n2C ZINC000033277011 557057891 /nfs/dbraw/zinc/05/78/91/557057891.db2.gz YWOGBKLJBNEUSY-UHFFFAOYSA-N 0 0 448.548 3.963 50 0 IHAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023023417 557058153 /nfs/dbraw/zinc/05/81/53/557058153.db2.gz GTHIDRQYISSENG-KRWDZBQOSA-N 0 0 440.487 3.996 50 0 IHAARN Cc1cccc(CN2CCN(C(=O)CSc3n[nH]c(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000023029429 557058414 /nfs/dbraw/zinc/05/84/14/557058414.db2.gz LEFQUVWNLQJNIN-UHFFFAOYSA-N 0 0 441.988 3.870 50 0 IHAARN Cc1cccc(C)c1NC(=O)CSc1ccc(N2CCC(C(=O)NC(C)C)CC2)nn1 ZINC000033277211 557058763 /nfs/dbraw/zinc/05/87/63/557058763.db2.gz JENKPCCBWUUCTH-UHFFFAOYSA-N 0 0 441.601 3.565 50 0 IHAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)C(=O)NC3CCCC3)cc2)cc1 ZINC000048303420 557058674 /nfs/dbraw/zinc/05/86/74/557058674.db2.gz SVACAHOKMBOFOK-INIZCTEOSA-N 0 0 432.542 3.603 50 0 IHAARN CCCN(CCC)C(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O ZINC000051364359 557059283 /nfs/dbraw/zinc/05/92/83/557059283.db2.gz KRTDJBUKZIXZKU-UHFFFAOYSA-N 0 0 442.579 3.880 50 0 IHAARN COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000033277913 557059858 /nfs/dbraw/zinc/05/98/58/557059858.db2.gz KSXMJEWAIZDUPF-UHFFFAOYSA-N 0 0 449.511 3.688 50 0 IHAARN O=c1c2cc3c(cc2nc(SCc2nc(-c4ccc(F)cc4)no2)n1C1CC1)OCO3 ZINC000033279794 557062561 /nfs/dbraw/zinc/06/25/61/557062561.db2.gz BLZZBTDBXRCUIR-UHFFFAOYSA-N 0 0 438.440 3.942 50 0 IHAARN Cn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(C(=O)NCCc1ccccc1)C2 ZINC000033283933 557063220 /nfs/dbraw/zinc/06/32/20/557063220.db2.gz JAWVVVAZTOHBMO-UHFFFAOYSA-N 0 0 446.486 3.587 50 0 IHAARN O=C(NCCC1=CCCCC1)C1CCN(c2nnc(N3CCOCC3)c3ccccc32)CC1 ZINC000033283964 557063228 /nfs/dbraw/zinc/06/32/28/557063228.db2.gz IAIDFYBQIMLYCV-UHFFFAOYSA-N 0 0 449.599 3.690 50 0 IHAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccc(OC)cc1 ZINC000023119163 557064810 /nfs/dbraw/zinc/06/48/10/557064810.db2.gz IEVAFBNFQLPOAL-UHFFFAOYSA-N 0 0 448.548 3.829 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287483 557064989 /nfs/dbraw/zinc/06/49/89/557064989.db2.gz ZYKSCJTWOBRQII-UHFFFAOYSA-N 0 0 436.537 3.956 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1OC ZINC000048312661 557067280 /nfs/dbraw/zinc/06/72/80/557067280.db2.gz YXKPXUUINMRVSQ-SFHVURJKSA-N 0 0 445.903 3.620 50 0 IHAARN COc1ccc(OC)c(CN(c2cnn(C)c2)S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000048313065 557067332 /nfs/dbraw/zinc/06/73/32/557067332.db2.gz RJURPYSLQYCLPW-UHFFFAOYSA-N 0 0 439.896 3.625 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000048313671 557067587 /nfs/dbraw/zinc/06/75/87/557067587.db2.gz CHZSCSFCSCXROA-IBGZPJMESA-N 0 0 432.542 3.830 50 0 IHAARN Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000033282743 557068079 /nfs/dbraw/zinc/06/80/79/557068079.db2.gz XYSBRWSFSKZUEM-UHFFFAOYSA-N 0 0 431.945 3.537 50 0 IHAARN CC(C)c1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)o2)cc1 ZINC000033290830 557069207 /nfs/dbraw/zinc/06/92/07/557069207.db2.gz NQYHDONZAPYHPE-MRXNPFEDSA-N 0 0 438.459 3.870 50 0 IHAARN COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(Cl)c4)c3N)c(C)o2)cc1 ZINC000033291789 557070183 /nfs/dbraw/zinc/07/01/83/557070183.db2.gz ITLPLQYEFPPJOT-UHFFFAOYSA-N 0 0 438.875 3.786 50 0 IHAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 ZINC000033289677 557071309 /nfs/dbraw/zinc/07/13/09/557071309.db2.gz HRVBCSOYBBENKV-IBGZPJMESA-N 0 0 447.495 3.673 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000048345667 557071917 /nfs/dbraw/zinc/07/19/17/557071917.db2.gz ZSLJSPBNVDKMRO-JTQLQIEISA-N 0 0 446.308 3.606 50 0 IHAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2nc3nccc(C)n3n2)c1 ZINC000023192829 557072223 /nfs/dbraw/zinc/07/22/23/557072223.db2.gz RKUWFAZZYWGMQU-KRWDZBQOSA-N 0 0 428.496 3.795 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000048353993 557072367 /nfs/dbraw/zinc/07/23/67/557072367.db2.gz HTBMIKRJSGALTB-DEOSSOPVSA-N 0 0 435.568 3.579 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)n1 ZINC000023223056 557074595 /nfs/dbraw/zinc/07/45/95/557074595.db2.gz AOZCGMANRNRERE-HNNXBMFYSA-N 0 0 445.522 3.905 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2s1 ZINC000033299031 557075365 /nfs/dbraw/zinc/07/53/65/557075365.db2.gz AMUIGGXRLSCMFC-UHFFFAOYSA-N 0 0 428.532 3.728 50 0 IHAARN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2s1 ZINC000033299053 557075377 /nfs/dbraw/zinc/07/53/77/557075377.db2.gz QUAJHHGNWBQKAG-UHFFFAOYSA-N 0 0 428.532 3.728 50 0 IHAARN Cc1ccccc1-c1noc(Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)n1 ZINC000033293087 557075995 /nfs/dbraw/zinc/07/59/95/557075995.db2.gz FZQHIQUEGHUCIC-UHFFFAOYSA-N 0 0 432.871 3.951 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cc(F)ccc4C)c3)n2)cc1 ZINC000033293157 557076214 /nfs/dbraw/zinc/07/62/14/557076214.db2.gz JMYJKRZLCFZMPE-UHFFFAOYSA-N 0 0 434.427 3.660 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4c(C)cccc4C)c3)n2)cc1 ZINC000033293139 557076289 /nfs/dbraw/zinc/07/62/89/557076289.db2.gz KAQBOFVFJQPPDA-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000085813154 557077016 /nfs/dbraw/zinc/07/70/16/557077016.db2.gz SSERHSBKWNNKCY-INIZCTEOSA-N 0 0 445.610 3.625 50 0 IHAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)n2)cc1 ZINC000033300430 557079999 /nfs/dbraw/zinc/07/99/99/557079999.db2.gz XHSNWJWYUBTYDJ-UHFFFAOYSA-N 0 0 430.342 3.857 50 0 IHAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Oc3ccc(OC)cc3)c2)cc1 ZINC000011295893 557081245 /nfs/dbraw/zinc/08/12/45/557081245.db2.gz PNSGTIMIGAOUQQ-UHFFFAOYSA-N 0 0 442.493 3.657 50 0 IHAARN CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 ZINC000023290697 557082348 /nfs/dbraw/zinc/08/23/48/557082348.db2.gz RTTYAGJXRBDKLW-GJZUVCINSA-N 0 0 433.552 3.846 50 0 IHAARN O=C(CSc1nnc2c3sc(N4CCCC4)nc3ncn12)Nc1ccc(Cl)cc1 ZINC000033300828 557082752 /nfs/dbraw/zinc/08/27/52/557082752.db2.gz DYVXEILKNOWUKH-UHFFFAOYSA-N 0 0 445.961 3.718 50 0 IHAARN CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(F)cc1 ZINC000049006474 557085035 /nfs/dbraw/zinc/08/50/35/557085035.db2.gz VNNYBBITDGMBQY-UHFFFAOYSA-N 0 0 435.455 3.990 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NCc2ccccc2Cl)c(=O)n3C(C)C)no1 ZINC000033306777 557086140 /nfs/dbraw/zinc/08/61/40/557086140.db2.gz FVHQBXSKLFULRS-UHFFFAOYSA-N 0 0 439.903 3.712 50 0 IHAARN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000023351711 557086295 /nfs/dbraw/zinc/08/62/95/557086295.db2.gz RUUSIJFOGSXRLL-HSZRJFAPSA-N 0 0 432.593 3.948 50 0 IHAARN CCCCOc1ccc(C(=O)NCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000010904851 557086682 /nfs/dbraw/zinc/08/66/82/557086682.db2.gz ZRXQGBFJPRQICD-UHFFFAOYSA-N 0 0 448.567 3.773 50 0 IHAARN CCc1cccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 ZINC000049009026 557086854 /nfs/dbraw/zinc/08/68/54/557086854.db2.gz VQJYBTFLFBEUIT-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN CCOc1ccc(NC(=O)Cn2c3cc(C(=O)Nc4ccccc4)ccc3oc2=O)cc1 ZINC000033307439 557087182 /nfs/dbraw/zinc/08/71/82/557087182.db2.gz IXOLHQJWPKBGEA-UHFFFAOYSA-N 0 0 431.448 3.884 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1OC ZINC000049002555 557090420 /nfs/dbraw/zinc/09/04/20/557090420.db2.gz ZPENKACZNSCXEH-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)n2c3ccccc3nc21 ZINC000023411224 557091245 /nfs/dbraw/zinc/09/12/45/557091245.db2.gz RZCSZEYYWYVAQM-IBGZPJMESA-N 0 0 426.904 3.951 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)C1 ZINC000023441256 557092535 /nfs/dbraw/zinc/09/25/35/557092535.db2.gz XOFYHUQGLRWECM-FQEVSTJZSA-N 0 0 443.950 3.676 50 0 IHAARN COc1cccc2cc(C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)c(=O)oc21 ZINC000049363111 557094640 /nfs/dbraw/zinc/09/46/40/557094640.db2.gz DCPKMQUUVNBCNI-UHFFFAOYSA-N 0 0 437.477 3.933 50 0 IHAARN Cc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1-c1cccnc1 ZINC000017542151 557095205 /nfs/dbraw/zinc/09/52/05/557095205.db2.gz CKONHFMUEAQRPU-UHFFFAOYSA-N 0 0 426.509 3.906 50 0 IHAARN CCc1noc(Cn2cnc3c4cc(OC)ccc4n(Cc4ccc(F)cc4)c3c2=O)n1 ZINC000033311861 557095238 /nfs/dbraw/zinc/09/52/38/557095238.db2.gz QIFXTUAVSOZTEX-UHFFFAOYSA-N 0 0 433.443 3.541 50 0 IHAARN Cc1ccc(-c2ccc3nn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)n3n2)cc1C ZINC000049399487 557095344 /nfs/dbraw/zinc/09/53/44/557095344.db2.gz QOJWRSVXJOJDTA-UHFFFAOYSA-N 0 0 432.871 3.927 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1F ZINC000033311743 557095826 /nfs/dbraw/zinc/09/58/26/557095826.db2.gz HBOLHQYNHKSKDJ-INIZCTEOSA-N 0 0 426.488 3.658 50 0 IHAARN Cn1cc(-c2ccc(F)cc2)c2ncn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c21 ZINC000049401458 557097058 /nfs/dbraw/zinc/09/70/58/557097058.db2.gz LRLVGWRWDLDRFS-UHFFFAOYSA-N 0 0 442.853 3.650 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cccc(-c3nccnc3N3CCCC3)c2)CC1 ZINC000033312966 557097957 /nfs/dbraw/zinc/09/79/57/557097957.db2.gz XXCNTTIPVAMLBM-UHFFFAOYSA-N 0 0 443.551 3.715 50 0 IHAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccc(Br)cc1)CC(=O)N2C ZINC000033317472 557099357 /nfs/dbraw/zinc/09/93/57/557099357.db2.gz CWOMBOPPKCYKTN-MRXNPFEDSA-N 0 0 426.318 3.848 50 0 IHAARN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)[nH]n2)c(C)c1 ZINC000049406670 557101887 /nfs/dbraw/zinc/10/18/87/557101887.db2.gz WAOLQPIRJMQSIB-UHFFFAOYSA-N 0 0 445.567 3.794 50 0 IHAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(C)cc4C)n[nH]3)CC2)cc1 ZINC000049406664 557101923 /nfs/dbraw/zinc/10/19/23/557101923.db2.gz GGCRQQDWYKAGGS-UHFFFAOYSA-N 0 0 432.524 3.737 50 0 IHAARN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640550 557102158 /nfs/dbraw/zinc/10/21/58/557102158.db2.gz XSFXTTGOXHGGJO-UHFFFAOYSA-N 0 0 427.957 3.629 50 0 IHAARN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000049406692 557102267 /nfs/dbraw/zinc/10/22/67/557102267.db2.gz HADFHCMTESGHQT-UHFFFAOYSA-N 0 0 432.524 3.818 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(Cl)c3)C2)c1C ZINC000085620643 557102336 /nfs/dbraw/zinc/10/23/36/557102336.db2.gz FHPVPFSBGPLLCF-QGZVFWFLSA-N 0 0 445.947 3.630 50 0 IHAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000023645661 557102595 /nfs/dbraw/zinc/10/25/95/557102595.db2.gz DQWJWJCBYQNNEW-UHFFFAOYSA-N 0 0 436.581 3.636 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621435 557102881 /nfs/dbraw/zinc/10/28/81/557102881.db2.gz PVNOYCFYFIVMGY-YLJYHZDGSA-N 0 0 439.556 3.926 50 0 IHAARN COc1cccc(CN(c2cc(F)cc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 ZINC000049408598 557103669 /nfs/dbraw/zinc/10/36/69/557103669.db2.gz YNHZVBOOEPABBM-UHFFFAOYSA-N 0 0 444.463 3.720 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN1CN(c2ccccc2)c2ncccc2S1(=O)=O ZINC000049411388 557106372 /nfs/dbraw/zinc/10/63/72/557106372.db2.gz ICUBJDUKZGWLAY-UHFFFAOYSA-N 0 0 442.928 3.782 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2c(c(=O)n3nc(-c4ccc(C)cc4)nc31)CCC2 ZINC000033324798 557106901 /nfs/dbraw/zinc/10/69/01/557106901.db2.gz QWSIRDORNCYWQB-UHFFFAOYSA-N 0 0 427.508 3.556 50 0 IHAARN COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409414556 557109958 /nfs/dbraw/zinc/10/99/58/557109958.db2.gz XDCCQCNAPGPDHU-FQEVSTJZSA-N 0 0 431.492 3.676 50 0 IHAARN CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000011357583 557110215 /nfs/dbraw/zinc/11/02/15/557110215.db2.gz FYFCSFYVVYHCQE-UHFFFAOYSA-N 0 0 446.550 3.573 50 0 IHAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000049539868 557110398 /nfs/dbraw/zinc/11/03/98/557110398.db2.gz OCHNFJPIZKTAGW-FOCLMDBBSA-N 0 0 425.554 3.949 50 0 IHAARN COc1ccc(NC(=O)C2CCN(Cc3noc(-c4cccc(C)c4)n3)CC2)cc1OC ZINC000033327700 557110637 /nfs/dbraw/zinc/11/06/37/557110637.db2.gz RFIIJSYTUMZYDD-UHFFFAOYSA-N 0 0 436.512 3.913 50 0 IHAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023737006 557111921 /nfs/dbraw/zinc/11/19/21/557111921.db2.gz RRKCUUAAPVQTLE-UHFFFAOYSA-N 0 0 448.970 3.797 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(OC)c(OC)c1 ZINC000049549107 557112586 /nfs/dbraw/zinc/11/25/86/557112586.db2.gz QRJVKLKJEZULOE-KRWDZBQOSA-N 0 0 436.468 3.885 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017722032 557112785 /nfs/dbraw/zinc/11/27/85/557112785.db2.gz VQCOQBCTHBUVPH-ZLNRFVROSA-N 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/nfs/dbraw/zinc/15/22/53/557152253.db2.gz MWMZXIHZXHHJKS-UHFFFAOYSA-N 0 0 439.493 3.604 50 0 IHAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000247747058 557153285 /nfs/dbraw/zinc/15/32/85/557153285.db2.gz ROZYOYYYOJHAGZ-RYQLBKOJSA-N 0 0 440.556 3.841 50 0 IHAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000024820649 557153619 /nfs/dbraw/zinc/15/36/19/557153619.db2.gz ROEPJLJMJDPUCI-INIZCTEOSA-N 0 0 426.904 3.674 50 0 IHAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608614 557154009 /nfs/dbraw/zinc/15/40/09/557154009.db2.gz ZQRLJOMJJUFTLR-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024610032 557154582 /nfs/dbraw/zinc/15/45/82/557154582.db2.gz IXDSRDIDKSVJNP-UHFFFAOYSA-N 0 0 440.924 3.668 50 0 IHAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000024611413 557155160 /nfs/dbraw/zinc/15/51/60/557155160.db2.gz DPDHXVVRYUQUGT-UHFFFAOYSA-N 0 0 430.570 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Cn1c2c(cc(Cl)cc2Cl)s/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000100892346 557198673 /nfs/dbraw/zinc/19/86/73/557198673.db2.gz HCVMFIMOPDBYMP-QOCHGBHMSA-N 0 0 434.304 3.941 50 0 IHAARN CCOc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1OCc1cccnc1 ZINC000024897228 557199306 /nfs/dbraw/zinc/19/93/06/557199306.db2.gz HRELITBSSGYFKF-UHFFFAOYSA-N 0 0 441.509 3.683 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Nc2c3ccccc3nc(=O)n2Cc2cccs2)cc1 ZINC000100903361 557199647 /nfs/dbraw/zinc/19/96/47/557199647.db2.gz IUYDFEDQOIQWQK-LHLOQNFPSA-N 0 0 448.504 3.749 50 0 IHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000025283828 557202484 /nfs/dbraw/zinc/20/24/84/557202484.db2.gz IZLNZBRKZRRVHV-AEFFLSMTSA-N 0 0 435.567 3.580 50 0 IHAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100940849 557203019 /nfs/dbraw/zinc/20/30/19/557203019.db2.gz FVLWVOPMFXEDLF-OAQYLSRUSA-N 0 0 441.553 3.750 50 0 IHAARN O[C@@H](COCc1ccccc1F)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000025306915 557203212 /nfs/dbraw/zinc/20/32/12/557203212.db2.gz KIDIYVLRXBVMKJ-JOCHJYFZSA-N 0 0 441.572 3.645 50 0 IHAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2cnccn2)CC1 ZINC000025343558 557205225 /nfs/dbraw/zinc/20/52/25/557205225.db2.gz XNFFETQJTJHBMW-UHFFFAOYSA-N 0 0 433.459 3.510 50 0 IHAARN CN(C)[C@H](CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1Cl ZINC000025377668 557206271 /nfs/dbraw/zinc/20/62/71/557206271.db2.gz ZKKRIEWIBCHXAQ-HXUWFJFHSA-N 0 0 446.956 3.940 50 0 IHAARN O=C(COc1cccc2ccccc21)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011599540 557207441 /nfs/dbraw/zinc/20/74/41/557207441.db2.gz DLGXISGXFCBHBU-UHFFFAOYSA-N 0 0 446.503 3.639 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097161533 557212713 /nfs/dbraw/zinc/21/27/13/557212713.db2.gz ZVSLPBKKAWWYHR-QHCPKHFHSA-N 0 0 436.531 3.580 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000247748938 557213918 /nfs/dbraw/zinc/21/39/18/557213918.db2.gz 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Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025638948 557220400 /nfs/dbraw/zinc/22/04/00/557220400.db2.gz HFBOWLDESAJCEL-SFHVURJKSA-N 0 0 447.576 3.984 50 0 IHAARN CN(C)C(=O)[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000025746921 557224144 /nfs/dbraw/zinc/22/41/44/557224144.db2.gz MVEIMRRAHKPKLO-JOCHJYFZSA-N 0 0 435.597 3.844 50 0 IHAARN CCCCCN(C(=O)c1nn(C)c(=O)c2ccccc21)c1nc(C)c(C(=O)OCC)s1 ZINC000025883953 557228999 /nfs/dbraw/zinc/22/89/99/557228999.db2.gz LPTMLSYONJKHEB-UHFFFAOYSA-N 0 0 442.541 3.712 50 0 IHAARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000018033997 557230685 /nfs/dbraw/zinc/23/06/85/557230685.db2.gz BNCRVEMSACYJEW-KEZOAJOQSA-N 0 0 435.483 3.757 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000025944876 557230734 /nfs/dbraw/zinc/23/07/34/557230734.db2.gz IFACDECLFLQXPL-DLBZAZTESA-N 0 0 437.569 3.978 50 0 IHAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N[C@@H](C)C(C)C)c1 ZINC000011677817 557231833 /nfs/dbraw/zinc/23/18/33/557231833.db2.gz XUKWDJWIRGROTN-INIZCTEOSA-N 0 0 444.553 3.744 50 0 IHAARN Cc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1 ZINC000026044701 557232529 /nfs/dbraw/zinc/23/25/29/557232529.db2.gz KFXUUAXDXNBKPL-UHFFFAOYSA-N 0 0 445.585 3.643 50 0 IHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 ZINC000026069444 557233730 /nfs/dbraw/zinc/23/37/30/557233730.db2.gz CWVHQSWFGOWVMF-GBXCKJPGSA-N 0 0 432.549 3.610 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000026089811 557233895 /nfs/dbraw/zinc/23/38/95/557233895.db2.gz WFSVCIZZRVOQPV-UHFFFAOYSA-N 0 0 437.502 3.907 50 0 IHAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000098211354 557234465 /nfs/dbraw/zinc/23/44/65/557234465.db2.gz DOCNBMDLYWJYSU-UHFFFAOYSA-N 0 0 431.471 3.693 50 0 IHAARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000018068546 557235050 /nfs/dbraw/zinc/23/50/50/557235050.db2.gz DUBAAHJGMOUHKK-AFXVXQJMSA-N 0 0 439.446 3.587 50 0 IHAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000098212209 557235399 /nfs/dbraw/zinc/23/53/99/557235399.db2.gz HFGCSNSXQRMMIP-MRXNPFEDSA-N 0 0 427.432 3.879 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)c1 ZINC000018121152 557238470 /nfs/dbraw/zinc/23/84/70/557238470.db2.gz BIQLAWWWFBDGEF-UHFFFAOYSA-N 0 0 425.466 3.764 50 0 IHAARN Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000026396601 557240444 /nfs/dbraw/zinc/24/04/44/557240444.db2.gz GTJGMEGGYGZOBF-OAHLLOKOSA-N 0 0 431.945 3.714 50 0 IHAARN O=C1C[C@@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000100119009 557241417 /nfs/dbraw/zinc/24/14/17/557241417.db2.gz YLJPENAOLAPXTQ-HXUWFJFHSA-N 0 0 443.488 3.879 50 0 IHAARN COc1cc(CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)ccc1OCc1ccccc1 ZINC000018161066 557244261 /nfs/dbraw/zinc/24/42/61/557244261.db2.gz ODMBDMORWHXTDO-RUZDIDTESA-N 0 0 446.503 3.705 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000018189433 557246281 /nfs/dbraw/zinc/24/62/81/557246281.db2.gz JUSLQBNBWSKAAL-UHFFFAOYSA-N 0 0 435.524 3.748 50 0 IHAARN O=C(NCc1cnn(-c2ccccc2)c1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026720743 557247161 /nfs/dbraw/zinc/24/71/61/557247161.db2.gz AMNONGYBUFXAHJ-UHFFFAOYSA-N 0 0 439.471 3.805 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc(Nc3nn4c(nc5ccccc5c4=O)s3)cc2)o1 ZINC000032952111 557247408 /nfs/dbraw/zinc/24/74/08/557247408.db2.gz IGASBXLNNYUBGC-UHFFFAOYSA-N 0 0 431.477 3.879 50 0 IHAARN O=C(CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F)NCc1cccs1 ZINC000026796908 557249075 /nfs/dbraw/zinc/24/90/75/557249075.db2.gz MWFMQQFHEFRMKO-UHFFFAOYSA-N 0 0 427.457 3.597 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1cc(-c2ccco2)on1 ZINC000018226118 557252952 /nfs/dbraw/zinc/25/29/52/557252952.db2.gz GYNVFSPYHQTCOK-UHFFFAOYSA-N 0 0 444.509 3.785 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000027115621 557257300 /nfs/dbraw/zinc/25/73/00/557257300.db2.gz MOMAKPPULYRPJD-UHFFFAOYSA-N 0 0 444.940 3.876 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000027134391 557257543 /nfs/dbraw/zinc/25/75/43/557257543.db2.gz ULLVEWZQGURRGB-OAHLLOKOSA-N 0 0 425.481 3.937 50 0 IHAARN CN(CCOc1ccc(Br)cc1)C(=O)CSc1nnc(-c2cccnc2)o1 ZINC000027238343 557259257 /nfs/dbraw/zinc/25/92/57/557259257.db2.gz SBQIFIIWDHYDTK-UHFFFAOYSA-N 0 0 449.330 3.524 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000027376133 557261313 /nfs/dbraw/zinc/26/13/13/557261313.db2.gz BRXZNIWHAPLFMN-SANMLTNESA-N 0 0 448.611 3.613 50 0 IHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000027391763 557261594 /nfs/dbraw/zinc/26/15/94/557261594.db2.gz ASBHNALJEBRDMJ-UHFFFAOYSA-N 0 0 446.500 3.568 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12 ZINC000101142228 557262013 /nfs/dbraw/zinc/26/20/13/557262013.db2.gz BOJUQTZEHLILDF-SJLPKXTDSA-N 0 0 446.290 3.599 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Br)cc1)S2 ZINC000027525592 557263498 /nfs/dbraw/zinc/26/34/98/557263498.db2.gz YAMKBEUGBMGSFH-NVXWUHKLSA-N 0 0 431.315 3.697 50 0 IHAARN CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(C)cc3)s2)c1 ZINC000027664621 557270573 /nfs/dbraw/zinc/27/05/73/557270573.db2.gz SEZZKHZVIJSDOS-UHFFFAOYSA-N 0 0 431.539 3.862 50 0 IHAARN COc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027743209 557272204 /nfs/dbraw/zinc/27/22/04/557272204.db2.gz KRKOTOOUKZNYEO-INIZCTEOSA-N 0 0 428.337 3.832 50 0 IHAARN CC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829729 557272390 /nfs/dbraw/zinc/27/23/90/557272390.db2.gz AZINWZSZFAWCAA-UHFFFAOYSA-N 0 0 426.469 3.862 50 0 IHAARN COc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)c1 ZINC000027745994 557272556 /nfs/dbraw/zinc/27/25/56/557272556.db2.gz HCYKQAJJVDOQBY-INIZCTEOSA-N 0 0 428.337 3.832 50 0 IHAARN CSCC[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101404548 557283195 /nfs/dbraw/zinc/28/31/95/557283195.db2.gz JNZKBOVMUMNORJ-GUTXKFCHSA-N 0 0 435.546 3.671 50 0 IHAARN O=C(Oc1ccc(Cl)cc1Br)c1cccc(N2CCCS2(=O)=O)c1 ZINC000014059368 557293428 /nfs/dbraw/zinc/29/34/28/557293428.db2.gz VEHSZUJWSIFZSP-UHFFFAOYSA-N 0 0 430.707 3.862 50 0 IHAARN Cc1ccc(CNc2nn3c(nc(C)c(CCC(=O)Nc4c(C)cccc4C)c3=O)[nH]2)cc1 ZINC000101834915 557301629 /nfs/dbraw/zinc/30/16/29/557301629.db2.gz DLQKQVVEVYQYEP-UHFFFAOYSA-N 0 0 444.539 3.835 50 0 IHAARN O=C(CN1c2ccccc2N=C2CCC[C@H]2C1=O)NCc1ccccc1Br ZINC000101945775 557307855 /nfs/dbraw/zinc/30/78/55/557307855.db2.gz LMJYVUAYHHNPNC-OAHLLOKOSA-N 0 0 426.314 3.985 50 0 IHAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](CO)C5)C4=O)cc3)sc2c1 ZINC000103129262 557313217 /nfs/dbraw/zinc/31/32/17/557313217.db2.gz ARPPWDFZLBIMCX-OXQOHEQNSA-N 0 0 435.549 3.608 50 0 IHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000102196916 557314671 /nfs/dbraw/zinc/31/46/71/557314671.db2.gz RMZWPBIXXJEQBB-QHAWAJNXSA-N 0 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ZINC000032957790 557319154 /nfs/dbraw/zinc/31/91/54/557319154.db2.gz ZLNXGHOVPWJZLS-UHFFFAOYSA-N 0 0 432.523 3.599 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)c1C ZINC000032970882 557319480 /nfs/dbraw/zinc/31/94/80/557319480.db2.gz NEGLQHYFZLXSIN-AVRDEDQJSA-N 0 0 436.508 3.551 50 0 IHAARN COc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Br ZINC000024106249 557322740 /nfs/dbraw/zinc/32/27/40/557322740.db2.gz RKYIDIJLHHCHEV-ZDUSSCGKSA-N 0 0 446.388 3.889 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000033047880 557322852 /nfs/dbraw/zinc/32/28/52/557322852.db2.gz NJSPYIQWQRFPOO-UHFFFAOYSA-N 0 0 435.527 3.560 50 0 IHAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(Br)cc4)no3)n2)cc1 ZINC000033300425 557331002 /nfs/dbraw/zinc/33/10/02/557331002.db2.gz NFKSJWWJQZKJFD-UHFFFAOYSA-N 0 0 425.242 3.721 50 0 IHAARN COc1ccc(-c2cn(CC(=O)NCc3ccc(C)cc3)nc2N2CCSCC2)cc1 ZINC000033300969 557331064 /nfs/dbraw/zinc/33/10/64/557331064.db2.gz KMLUCIRSVVCNOX-UHFFFAOYSA-N 0 0 436.581 3.737 50 0 IHAARN O=C(NCc1ccccc1)C1CCN(c2nc3ccsc3c(=O)n2-c2ccccc2)CC1 ZINC000033302205 557331361 /nfs/dbraw/zinc/33/13/61/557331361.db2.gz ZJGAXUPGXAFERT-UHFFFAOYSA-N 0 0 444.560 3.980 50 0 IHAARN CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1C ZINC000072310083 557331494 /nfs/dbraw/zinc/33/14/94/557331494.db2.gz GDHWMLMYOYSZRU-NRFANRHFSA-N 0 0 433.549 3.889 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3nnc(SCC(=O)Nc4ccccc4F)n3c2)cc1 ZINC000033284595 557332057 /nfs/dbraw/zinc/33/20/57/557332057.db2.gz SZQCAQOYSVWGCT-UHFFFAOYSA-N 0 0 449.511 3.838 50 0 IHAARN COC(=O)c1cc2c(c(Cl)c1)O[C@@H](CNC(=O)c1c(C)onc1-c1ccccc1)C2 ZINC000023332082 557344249 /nfs/dbraw/zinc/34/42/49/557344249.db2.gz JKYNYJQZEHHHLD-MRXNPFEDSA-N 0 0 426.856 3.824 50 0 IHAARN O=C(/C=C/c1ccc(Cl)s1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011673230 557347091 /nfs/dbraw/zinc/34/70/91/557347091.db2.gz MPTNDTMUMCFKJL-VQHVLOKHSA-N 0 0 432.929 3.835 50 0 IHAARN CC[C@@H](C)C(=O)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000023336098 557348544 /nfs/dbraw/zinc/34/85/44/557348544.db2.gz SGMINOMUOSBDGI-CQSZACIVSA-N 0 0 432.450 3.505 50 0 IHAARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(C)=O ZINC000033728246 557354170 /nfs/dbraw/zinc/35/41/70/557354170.db2.gz JWKLYCKBIKRNQL-UHFFFAOYSA-N 0 0 432.586 3.985 50 0 IHAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220698007 557364252 /nfs/dbraw/zinc/36/42/52/557364252.db2.gz UITSJYRIHLXKDY-HUUCEWRRSA-N 0 0 432.496 3.570 50 0 IHAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4C(N)=O)CC3=O)n2)cc1OC ZINC000102727911 557370241 /nfs/dbraw/zinc/37/02/41/557370241.db2.gz IXVFCABJBRKSMC-UHFFFAOYSA-N 0 0 436.493 3.693 50 0 IHAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102736654 557370939 /nfs/dbraw/zinc/37/09/39/557370939.db2.gz QODSFRKLSWYKOD-RBZQAINGSA-N 0 0 444.487 3.751 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)c1 ZINC000011693444 557391122 /nfs/dbraw/zinc/39/11/22/557391122.db2.gz 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CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000013955962 557397805 /nfs/dbraw/zinc/39/78/05/557397805.db2.gz SCHPEJGRAJOTRP-VQIMIIECSA-N 0 0 443.617 3.883 50 0 IHAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3c(Br)cnn3C)nn21 ZINC000072405639 557398262 /nfs/dbraw/zinc/39/82/62/557398262.db2.gz LUJUCXRYIDISOA-UHFFFAOYSA-N 0 0 425.699 3.678 50 0 IHAARN Cc1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000004925040 557408742 /nfs/dbraw/zinc/40/87/42/557408742.db2.gz SJNAKHJVGTXCOF-UHFFFAOYSA-N 0 0 431.606 3.978 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@@H]2C=Cc3ccc4cccnc4c3N21 ZINC000103460882 557437625 /nfs/dbraw/zinc/43/76/25/557437625.db2.gz NSYYOCZKQDTUGG-OOSNJVJTSA-N 0 0 431.536 3.834 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@H]1C ZINC000104809355 557462298 /nfs/dbraw/zinc/46/22/98/557462298.db2.gz JOZXKDYVUVLYIZ-TYILLQQXSA-N 0 0 430.973 3.821 50 0 IHAARN COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCc4ccccc4)[C@@H]3C2)c1 ZINC000104915965 557464657 /nfs/dbraw/zinc/46/46/57/557464657.db2.gz DUNYZZHGZWDJBS-RSXGOPAZSA-N 0 0 427.548 3.879 50 0 IHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1Cl ZINC000051316806 557465131 /nfs/dbraw/zinc/46/51/31/557465131.db2.gz WZNBCOIDBWUMBD-UHFFFAOYSA-N 0 0 447.854 3.771 50 0 IHAARN NC(=O)[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000019898136 557509861 /nfs/dbraw/zinc/50/98/61/557509861.db2.gz UVDLEGFIVZCIJK-JOCHJYFZSA-N 0 0 448.475 3.725 50 0 IHAARN CSc1nn(CC(=O)Nc2cc(F)ccc2F)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046914102 557513477 /nfs/dbraw/zinc/51/34/77/557513477.db2.gz IVZOUBBUUIVPGT-UHFFFAOYSA-N 0 0 442.451 3.821 50 0 IHAARN CCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000047146289 557517031 /nfs/dbraw/zinc/51/70/31/557517031.db2.gz MJPODWVFXJQYNP-UHFFFAOYSA-N 0 0 436.537 3.529 50 0 IHAARN C[C@@H]1CCCN(c2ccccc2CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000036615080 557517369 /nfs/dbraw/zinc/51/73/69/557517369.db2.gz 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50 0 IHAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2cccc(OC)c2)C1 ZINC000044803862 557537397 /nfs/dbraw/zinc/53/73/97/557537397.db2.gz WMZCJUKVYSRXJC-LJQANCHMSA-N 0 0 434.540 3.960 50 0 IHAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000044902703 557540425 /nfs/dbraw/zinc/54/04/25/557540425.db2.gz YMBKRQNIXIBSOS-IBGZPJMESA-N 0 0 433.468 3.826 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@@](C)=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000108165408 557541718 /nfs/dbraw/zinc/54/17/18/557541718.db2.gz SSAMRVVGGPHPRE-PQDHALMWSA-N 0 0 449.576 3.975 50 0 IHAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000045312511 557543252 /nfs/dbraw/zinc/54/32/52/557543252.db2.gz RMDDIROOCFPPFK-SFQUDFHCSA-N 0 0 441.597 3.675 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)CCCC2)c1 ZINC000045344427 557543370 /nfs/dbraw/zinc/54/33/70/557543370.db2.gz LFJDDNNUJSDUCN-UHFFFAOYSA-N 0 0 449.594 3.741 50 0 IHAARN CNC(=O)[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2O1 ZINC000045470855 557543610 /nfs/dbraw/zinc/54/36/10/557543610.db2.gz AUWWNVAKYXTNKS-QHCPKHFHSA-N 0 0 439.531 3.501 50 0 IHAARN CNC(=O)[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2O1 ZINC000045470858 557543637 /nfs/dbraw/zinc/54/36/37/557543637.db2.gz AUWWNVAKYXTNKS-HSZRJFAPSA-N 0 0 439.531 3.501 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1OC ZINC000045702741 557545255 /nfs/dbraw/zinc/54/52/55/557545255.db2.gz QJZVZHBAIRAQSB-YJBOKZPZSA-N 0 0 430.932 3.626 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)cc(NC(=O)CC)c1=O ZINC000045896432 557545927 /nfs/dbraw/zinc/54/59/27/557545927.db2.gz SMCRQUMICXWSAI-UHFFFAOYSA-N 0 0 434.496 3.605 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccccc2OC)c1=O ZINC000045896411 557546019 /nfs/dbraw/zinc/54/60/19/557546019.db2.gz DMENJAGHTAKPRL-UHFFFAOYSA-N 0 0 440.887 3.560 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)n2cnc3c4cccnc4sc3c2=O)cc1 ZINC000045895643 557546518 /nfs/dbraw/zinc/54/65/18/557546518.db2.gz RUTKKVYZLZKCPU-MRXNPFEDSA-N 0 0 436.493 3.773 50 0 IHAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C(=O)CS2 ZINC000045960858 557554890 /nfs/dbraw/zinc/55/48/90/557554890.db2.gz MFQOXBDIOHIYMF-UHFFFAOYSA-N 0 0 425.554 3.863 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(F)cc3)CC2)c1C ZINC000045973901 557555817 /nfs/dbraw/zinc/55/58/17/557555817.db2.gz FQYSPLZHNWVHKL-UHFFFAOYSA-N 0 0 443.519 3.506 50 0 IHAARN O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc(F)cc1Cl ZINC000045970799 557558366 /nfs/dbraw/zinc/55/83/66/557558366.db2.gz OFPVGUQOKHROHF-UHFFFAOYSA-N 0 0 435.912 3.747 50 0 IHAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000000841993 557693746 /nfs/dbraw/zinc/69/37/46/557693746.db2.gz GMCHMIAPWREGBP-KWMZMRFFSA-N 0 0 425.484 3.856 50 0 IHAARN O=C(Nc1nnc(C2CC2)s1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040119130 557696076 /nfs/dbraw/zinc/69/60/76/557696076.db2.gz WXFOHMQVGUSSEB-AWEZNQCLSA-N 0 0 439.463 3.920 50 0 IHAARN O=C1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)c2cc(Br)ccc2N1 ZINC000225400959 557718522 /nfs/dbraw/zinc/71/85/22/557718522.db2.gz NJNBJUFUUSSBBZ-UHFFFAOYSA-N 0 0 437.649 3.528 50 0 IHAARN COC(=O)[C@@H](C)N(C(=O)c1cc(-n2cccn2)ccn1)c1ccc(Br)cc1C ZINC000225475110 557727266 /nfs/dbraw/zinc/72/72/66/557727266.db2.gz MVZOLINKDWFKKU-CQSZACIVSA-N 0 0 443.301 3.547 50 0 IHAARN CCNC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000225570705 557744476 /nfs/dbraw/zinc/74/44/76/557744476.db2.gz CATMUMGIKRAMAC-QFIPXVFZSA-N 0 0 431.540 3.992 50 0 IHAARN COc1cccc2sc(NC(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c3)nc21 ZINC000225579832 557746321 /nfs/dbraw/zinc/74/63/21/557746321.db2.gz ISYXAVFHASVPEE-IYBDPMFKSA-N 0 0 448.504 3.835 50 0 IHAARN CN(CC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1)S(=O)(=O)c1cccnc1 ZINC000225592772 557748905 /nfs/dbraw/zinc/74/89/05/557748905.db2.gz MAOAZHBPLSVJSW-OAQYLSRUSA-N 0 0 435.977 3.745 50 0 IHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000225611621 557751510 /nfs/dbraw/zinc/75/15/10/557751510.db2.gz NUBHLZOTGRIMDS-QZTJIDSGSA-N 0 0 435.524 3.844 50 0 IHAARN COc1cccc2c(=O)c(C)c(C(=O)N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)[nH]c12 ZINC000225615540 557752615 /nfs/dbraw/zinc/75/26/15/557752615.db2.gz CWFRQBLZCAQINQ-MRXNPFEDSA-N 0 0 443.544 3.564 50 0 IHAARN CC(C)(CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)CC(=O)c1ccccc1 ZINC000225657142 557757871 /nfs/dbraw/zinc/75/78/71/557757871.db2.gz HIDGUSXZRGTOOB-UHFFFAOYSA-N 0 0 427.932 3.904 50 0 IHAARN CCn1ccnc1CN(C(=O)C1=CCCCO1)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225668954 557760163 /nfs/dbraw/zinc/76/01/63/557760163.db2.gz FACXNKPKNPOQCL-LJQANCHMSA-N 0 0 444.576 3.716 50 0 IHAARN COC(=O)c1c(Br)cc(Br)c(NC(=O)COCC2CC2)c1C ZINC000225696842 557765751 /nfs/dbraw/zinc/76/57/51/557765751.db2.gz ISZZMQRAXJYTQU-UHFFFAOYSA-N 0 0 435.112 3.672 50 0 IHAARN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1nnc(C)n1C1CC1 ZINC000225725980 557769113 /nfs/dbraw/zinc/76/91/13/557769113.db2.gz REUIOTFJESVTLF-IBGZPJMESA-N 0 0 427.549 3.724 50 0 IHAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)O1 ZINC000225767880 557774972 /nfs/dbraw/zinc/77/49/72/557774972.db2.gz UHDOJUTZSBKLPA-DGFSRKRXSA-N 0 0 438.393 3.757 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000000846201 557829103 /nfs/dbraw/zinc/82/91/03/557829103.db2.gz YARUPLLRZRBPCJ-JOCHJYFZSA-N 0 0 449.507 3.611 50 0 IHAARN CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC1CCCCC1 ZINC000000846182 557829351 /nfs/dbraw/zinc/82/93/51/557829351.db2.gz CJZLQDQFNIPCLB-NRFANRHFSA-N 0 0 437.540 3.905 50 0 IHAARN COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1S(=O)(=O)N(C)C ZINC000024993095 557830467 /nfs/dbraw/zinc/83/04/67/557830467.db2.gz DGPXFBVOTZPZGQ-UHFFFAOYSA-N 0 0 444.509 3.678 50 0 IHAARN Cc1cc(I)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000000858126 557831600 /nfs/dbraw/zinc/83/16/00/557831600.db2.gz ZCGUGXGAEZZVHG-AWEZNQCLSA-N 0 0 440.306 3.904 50 0 IHAARN C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)C[C@H](C)O1 ZINC000229580016 557832787 /nfs/dbraw/zinc/83/27/87/557832787.db2.gz FLDPUDIBDQLUPU-YYDVJCTNSA-N 0 0 435.568 3.503 50 0 IHAARN CCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000229970722 557834425 /nfs/dbraw/zinc/83/44/25/557834425.db2.gz LNISKEMQKNHOST-OFVILXPXSA-N 0 0 432.524 3.643 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(Br)c(C)cc2C)cc1OC ZINC000230517134 557835286 /nfs/dbraw/zinc/83/52/86/557835286.db2.gz JHFJLVNMWBQMND-UHFFFAOYSA-N 0 0 428.348 3.604 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCSCC2)c(CCc2ccccc2)n1Cc1ccncc1 ZINC000014996912 557839507 /nfs/dbraw/zinc/83/95/07/557839507.db2.gz SUTATTSCFDAUBV-UHFFFAOYSA-N 0 0 433.577 3.574 50 0 IHAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239306268 557843817 /nfs/dbraw/zinc/84/38/17/557843817.db2.gz GQKYRYULAUMKPA-CGTJXYLNSA-N 0 0 425.529 3.928 50 0 IHAARN CCn1c2ccccc2n(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)c1=O ZINC000025037108 557847713 /nfs/dbraw/zinc/84/77/13/557847713.db2.gz ZTXBLPIVOOVSMI-DEOSSOPVSA-N 0 0 425.492 3.605 50 0 IHAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2OCC(F)(F)F)c1C ZINC000025044897 557851340 /nfs/dbraw/zinc/85/13/40/557851340.db2.gz AOBUDLIZDUSOSX-UHFFFAOYSA-N 0 0 437.447 3.951 50 0 IHAARN COc1ccccc1NC(=S)NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000001003242 562920039 /nfs/dbraw/zinc/92/00/39/562920039.db2.gz NLTHBNQDXUQATI-UHFFFAOYSA-N 0 0 445.342 3.829 50 0 aggregator IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000001241688 562921030 /nfs/dbraw/zinc/92/10/30/562921030.db2.gz SRNATPLVDXWUOL-UHFFFAOYSA-N 0 0 430.551 3.872 50 0 IHAARN O=C(NC1CC1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001383912 562921573 /nfs/dbraw/zinc/92/15/73/562921573.db2.gz ODSHDWNGNGISJL-OVKIHRCZSA-N 0 0 434.495 3.975 50 0 IHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 ZINC000002094512 562925746 /nfs/dbraw/zinc/92/57/46/562925746.db2.gz UASRKLJYYNKBMR-DHLKQENFSA-N 0 0 431.536 3.908 50 0 biogenic IHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N23)c(OC)c1 ZINC000002153179 562926024 /nfs/dbraw/zinc/92/60/24/562926024.db2.gz CNTURQDTTYMYSJ-SQJMNOBHSA-N 0 0 447.535 3.526 50 0 biogenic IHAARN CCCCOc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000002363166 562927149 /nfs/dbraw/zinc/92/71/49/562927149.db2.gz SHNFSOVUWRZDMY-UHFFFAOYSA-N 0 0 426.922 3.887 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000002414290 562927456 /nfs/dbraw/zinc/92/74/56/562927456.db2.gz DYWDXCOWNAZZHF-HZPDHXFCSA-N 0 0 425.934 3.533 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000002927931 562930619 /nfs/dbraw/zinc/93/06/19/562930619.db2.gz QQKLKGNIZOVBHM-NQIIRXRSSA-N 0 0 442.606 3.775 50 0 IHAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1C[C@@H]1COc2ccccc2O1 ZINC000003037468 562932018 /nfs/dbraw/zinc/93/20/18/562932018.db2.gz PBNKHWBSIYLRBI-HYBUGGRVSA-N 0 0 438.499 3.710 50 0 IHAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000003191380 562932638 /nfs/dbraw/zinc/93/26/38/562932638.db2.gz STRYGTYNNDHPDP-QGZVFWFLSA-N 0 0 427.551 3.850 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000003217380 562932869 /nfs/dbraw/zinc/93/28/69/562932869.db2.gz RYGFCWRPXUFXOV-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 ZINC000003373410 562934961 /nfs/dbraw/zinc/93/49/61/562934961.db2.gz JIZWRDGWECURSQ-UHFFFAOYSA-N 0 0 439.855 3.791 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000003410156 562935363 /nfs/dbraw/zinc/93/53/63/562935363.db2.gz ZZXOSCMOPBHOGQ-UHFFFAOYSA-N 0 0 448.545 3.538 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c1C ZINC000003545243 562936402 /nfs/dbraw/zinc/93/64/02/562936402.db2.gz VDKCUGULLSCJSZ-UHFFFAOYSA-N 0 0 441.509 3.721 50 0 IHAARN CCOc1ccc(Br)cc1[C@H]1c2ccc(N(C)C)cc2OC(N)=C1C(=O)OC ZINC000003628342 562936923 /nfs/dbraw/zinc/93/69/23/562936923.db2.gz IOPHSCFJTQNVKJ-GOSISDBHSA-N 0 0 447.329 3.781 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)sc2c1 ZINC000004034902 562940988 /nfs/dbraw/zinc/94/09/88/562940988.db2.gz BAICABIORUBNLY-INIZCTEOSA-N 0 0 439.584 3.698 50 0 IHAARN CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(=O)c2ccc(C)nc21 ZINC000004195269 562942526 /nfs/dbraw/zinc/94/25/26/562942526.db2.gz SUJVYXLEROJSQA-WRWLIDTKSA-N 0 0 428.529 3.886 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)ccc1Cl ZINC000006101346 562946211 /nfs/dbraw/zinc/94/62/11/562946211.db2.gz JILWTTRXNABHDP-UHFFFAOYSA-N 0 0 440.912 3.716 50 0 aggregator IHAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)S[C@H](C)C3)no1 ZINC000006530773 562947172 /nfs/dbraw/zinc/94/71/72/562947172.db2.gz MPSPYTBMQFPOAZ-CYBMUJFWSA-N 0 0 428.539 3.605 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)c1 ZINC000006577030 562947396 /nfs/dbraw/zinc/94/73/96/562947396.db2.gz LGINCOUVYTWOSQ-UHFFFAOYSA-N 0 0 439.566 3.587 50 0 aggregator IHAARN CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577380 562947595 /nfs/dbraw/zinc/94/75/95/562947595.db2.gz FOIKHBZAAIWJKX-UHFFFAOYSA-N 0 0 443.525 3.833 50 0 IHAARN CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2CC)s1 ZINC000006860951 562948434 /nfs/dbraw/zinc/94/84/34/562948434.db2.gz WRPDJHBJFOEXGF-UHFFFAOYSA-N 0 0 437.982 3.708 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H](C)n2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000006901525 562948507 /nfs/dbraw/zinc/94/85/07/562948507.db2.gz FEOBZQQYIYRONA-GOSISDBHSA-N 0 0 425.554 3.612 50 0 IHAARN COc1ccc(OC)c(-n2nnc3c(sc4nc(C)c(Br)c(C)c43)c2=O)c1 ZINC000008587443 562950277 /nfs/dbraw/zinc/95/02/77/562950277.db2.gz ALQZLBLQWFHEPV-UHFFFAOYSA-N 0 0 447.314 3.787 50 0 IHAARN COc1cccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1OC ZINC000008588462 562950746 /nfs/dbraw/zinc/95/07/46/562950746.db2.gz ZWAFANZFYKXBHX-UHFFFAOYSA-N 0 0 437.471 3.507 50 0 IHAARN CC(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008590133 562951469 /nfs/dbraw/zinc/95/14/69/562951469.db2.gz OLWXGJVLBIQIAF-FQEVSTJZSA-N 0 0 439.533 3.746 50 0 IHAARN COc1cc([C@@H](CC(=O)NCCC(C)C)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000008592498 562952346 /nfs/dbraw/zinc/95/23/46/562952346.db2.gz PPVCPSVZQUWDIS-HXUWFJFHSA-N 0 0 440.540 3.962 50 0 IHAARN COc1cc([C@H](CC(=O)NCCC(C)C)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000008592496 562952377 /nfs/dbraw/zinc/95/23/77/562952377.db2.gz PPVCPSVZQUWDIS-FQEVSTJZSA-N 0 0 440.540 3.962 50 0 IHAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000008593198 562952623 /nfs/dbraw/zinc/95/26/23/562952623.db2.gz BCXVIJVHFQDSFU-UHFFFAOYSA-N 0 0 433.533 3.837 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000008594574 562953072 /nfs/dbraw/zinc/95/30/72/562953072.db2.gz DDICLHAZTPWZJH-UHFFFAOYSA-N 0 0 436.537 3.598 50 0 IHAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 ZINC000008594536 562953088 /nfs/dbraw/zinc/95/30/88/562953088.db2.gz CZWZAKDPAJKBKT-UHFFFAOYSA-N 0 0 429.871 4.000 50 0 IHAARN O=C(NC1CCCCC1)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O ZINC000008595135 562953247 /nfs/dbraw/zinc/95/32/47/562953247.db2.gz MFTRAPVXHBLJLA-UHFFFAOYSA-N 0 0 443.500 3.531 50 0 IHAARN CCOc1ccc(CCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)cc1OCC ZINC000008599290 562954659 /nfs/dbraw/zinc/95/46/59/562954659.db2.gz UQUFOHQTMRILDH-UHFFFAOYSA-N 0 0 447.535 3.800 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(F)c3)s2)cc1OC ZINC000008601161 562955217 /nfs/dbraw/zinc/95/52/17/562955217.db2.gz SVKSHPZQHKDJMX-UHFFFAOYSA-N 0 0 443.500 3.572 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccco2)cc1 ZINC000008601281 562955223 /nfs/dbraw/zinc/95/52/23/562955223.db2.gz UGQVPCVKMGMWPH-FQEVSTJZSA-N 0 0 433.913 3.952 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)c1 ZINC000008607199 562957277 /nfs/dbraw/zinc/95/72/77/562957277.db2.gz MFUMTETWWJZKHY-UHFFFAOYSA-N 0 0 449.488 3.682 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008609374 562957765 /nfs/dbraw/zinc/95/77/65/562957765.db2.gz BJEIMVLLFMEAAA-UHFFFAOYSA-N 0 0 443.912 3.798 50 0 IHAARN O=C(NC[C@H]1CCCO1)c1c2c(sc1NC(=O)c1cc(=O)c3ccccc3o1)CCC2 ZINC000008612259 562959108 /nfs/dbraw/zinc/95/91/08/562959108.db2.gz YJOYBDUAIRQMID-CYBMUJFWSA-N 0 0 438.505 3.504 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(Br)o1 ZINC000008619512 562959869 /nfs/dbraw/zinc/95/98/69/562959869.db2.gz MGZZQLVOBUOPJE-UHFFFAOYSA-N 0 0 435.278 3.925 50 0 IHAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCCC4=CCCCC4)C3=O)ccc2c1 ZINC000008680941 562961625 /nfs/dbraw/zinc/96/16/25/562961625.db2.gz CLYUTYMWLFSQEP-VWLOTQADSA-N 0 0 435.524 3.622 50 0 IHAARN O=S1(=O)C[C@@H]2SC(N(Cc3ccc(F)cc3Cl)c3ccccc3F)=N[C@H]2C1 ZINC000008684539 562962152 /nfs/dbraw/zinc/96/21/52/562962152.db2.gz MNAGRIWQWCHDEM-RDJZCZTQSA-N 0 0 428.913 3.893 50 0 IHAARN CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccccc1 ZINC000008773044 562964018 /nfs/dbraw/zinc/96/40/18/562964018.db2.gz BSISAFFCJNZIIA-UHFFFAOYSA-N 0 0 428.448 3.661 50 0 IHAARN Cc1c(OCC(=O)NC[C@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008790187 562964115 /nfs/dbraw/zinc/96/41/15/562964115.db2.gz ZQRCQEQCXIFPQX-QFIPXVFZSA-N 0 0 429.472 3.997 50 0 biogenic IHAARN CCOCCCNC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000008811797 562964276 /nfs/dbraw/zinc/96/42/76/562964276.db2.gz GWQHQIQXFGIKDI-UHFFFAOYSA-N 0 0 445.585 3.552 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000008901445 562965816 /nfs/dbraw/zinc/96/58/16/562965816.db2.gz PJAYTMNTVQIEIO-MJGOQNOKSA-N 0 0 437.565 3.715 50 0 IHAARN CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)c1 ZINC000009405433 562970069 /nfs/dbraw/zinc/97/00/69/562970069.db2.gz BTWUPEVSRIAMAK-UHFFFAOYSA-N 0 0 427.551 3.751 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000009478341 562971773 /nfs/dbraw/zinc/97/17/73/562971773.db2.gz RYVWYTXJSBTBBN-UHFFFAOYSA-N 0 0 432.509 3.564 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)o1 ZINC000009490972 562971948 /nfs/dbraw/zinc/97/19/48/562971948.db2.gz ULOHDRUTEROPGP-UHFFFAOYSA-N 0 0 427.320 3.777 50 0 IHAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 ZINC000009506764 562972405 /nfs/dbraw/zinc/97/24/05/562972405.db2.gz AEKMCKSHNCSSOE-SSOJOUAXSA-N 0 0 437.540 3.538 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723424 562976078 /nfs/dbraw/zinc/97/60/78/562976078.db2.gz JVCOJQJVAFWOQN-UHFFFAOYSA-N 0 0 443.525 3.751 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000009731507 562976298 /nfs/dbraw/zinc/97/62/98/562976298.db2.gz GNRNZJDXIMZHHP-UHFFFAOYSA-N 0 0 434.311 3.946 50 0 IHAARN Cc1sc2ncn(CC(=O)NCCCC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c1C ZINC000009775734 562976761 /nfs/dbraw/zinc/97/67/61/562976761.db2.gz XFNMTAXIKOSPSM-UHFFFAOYSA-N 0 0 440.569 3.733 50 0 IHAARN CC(C)Cc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)on1 ZINC000012056320 562980606 /nfs/dbraw/zinc/98/06/06/562980606.db2.gz NHKOZUOROXXAQD-INIZCTEOSA-N 0 0 437.462 3.947 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3C[C@@H](C)Oc4ccc(C)cc43)C[C@@H]2C)c1 ZINC000015942071 563019615 /nfs/dbraw/zinc/01/96/15/563019615.db2.gz BMQORBONTOFYDX-LEWJYISDSA-N 0 0 435.568 3.935 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)cc1C ZINC000016689628 563020983 /nfs/dbraw/zinc/02/09/83/563020983.db2.gz MDAFYVWYEAWWBH-IBGZPJMESA-N 0 0 432.520 3.683 50 0 IHAARN COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1 ZINC000020210078 563023988 /nfs/dbraw/zinc/02/39/88/563023988.db2.gz XTOZKKUNDNLAQO-UHFFFAOYSA-N 0 0 445.475 3.676 50 0 aggregator IHAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccnc2)CC1 ZINC000020289800 563024459 /nfs/dbraw/zinc/02/44/59/563024459.db2.gz XTVQGNKVYGHBRH-FDDCHVKYSA-N 0 0 436.581 3.834 50 0 IHAARN COc1ccc(-c2cc3ncn(C[C@H](O)COCc4ccccc4F)c(=O)c3s2)cc1 ZINC000025067207 568627970 /nfs/dbraw/zinc/62/79/70/568627970.db2.gz CHTRXBMMTQGUQW-KRWDZBQOSA-N 0 0 440.496 3.850 50 0 IHAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccno3)c2)n(-c2ccccc2OC)n1 ZINC000025142284 568639968 /nfs/dbraw/zinc/63/99/68/568639968.db2.gz SKMVWGBZLQBWCY-UHFFFAOYSA-N 0 0 432.436 3.965 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)cc1O ZINC000086057593 568642832 /nfs/dbraw/zinc/64/28/32/568642832.db2.gz LSLOEOZUVGTYGG-CQSZACIVSA-N 0 0 443.912 3.904 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3OC)C2)c1 ZINC000086077271 568644630 /nfs/dbraw/zinc/64/46/30/568644630.db2.gz PUOXNPINRTXFCV-QGZVFWFLSA-N 0 0 434.496 3.670 50 0 IHAARN CCOC(=O)C1=C(c2ccc(OC)cc2)NC(c2ccc(OC)cc2)=C(C(=O)OCC)C1 ZINC000000988650 568649072 /nfs/dbraw/zinc/64/90/72/568649072.db2.gz MBYWPIAPNUAFAT-UHFFFAOYSA-N 0 0 437.492 3.946 50 0 IHAARN CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000025318894 568653197 /nfs/dbraw/zinc/65/31/97/568653197.db2.gz NJTGQGCBNQOGPZ-QHCPKHFHSA-N 0 0 426.582 3.940 50 0 IHAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025324472 568653496 /nfs/dbraw/zinc/65/34/96/568653496.db2.gz OTOJINVOIGVFOG-UHFFFAOYSA-N 0 0 434.539 3.826 50 0 IHAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1)N1CCCCC1 ZINC000001060611 568655840 /nfs/dbraw/zinc/65/58/40/568655840.db2.gz ZBFUVRLGRUOYLJ-FCQUAONHSA-N 0 0 443.594 3.616 50 0 IHAARN CCc1c(C(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)cnn1-c1ccccc1 ZINC000025455829 568659083 /nfs/dbraw/zinc/65/90/83/568659083.db2.gz KAYOHYZSEFOTFW-UHFFFAOYSA-N 0 0 428.492 3.901 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)n1-c1nccs1 ZINC000025487071 568659903 /nfs/dbraw/zinc/65/99/03/568659903.db2.gz HNWZGTWWZPQBTK-UHFFFAOYSA-N 0 0 443.326 3.906 50 0 IHAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]1[C@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1C[C@H]2OC(C)=O ZINC000257347972 568731112 /nfs/dbraw/zinc/73/11/12/568731112.db2.gz AEBGBTLRZFVRJG-MUGFNVSDSA-N 0 0 448.556 3.613 50 0 IHAARN CC(C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cc2C1=O ZINC000001787486 568740087 /nfs/dbraw/zinc/74/00/87/568740087.db2.gz IYUBIQNJWGRRFL-UHFFFAOYSA-N 0 0 435.263 3.793 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)n2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 ZINC000001981031 568742388 /nfs/dbraw/zinc/74/23/88/568742388.db2.gz NMRDGWNAGXAMKC-ZDUSSCGKSA-N 0 0 429.498 3.540 50 0 IHAARN COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1OC ZINC000002060523 568742584 /nfs/dbraw/zinc/74/25/84/568742584.db2.gz IHABNYZRBFOSOC-SILNSSARSA-N 0 0 436.533 3.895 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCC(=O)c1ccc(SC)cc1 ZINC000019131154 568742826 /nfs/dbraw/zinc/74/28/26/568742826.db2.gz LGHLAWMELUCQLN-UHFFFAOYSA-N 0 0 444.509 3.520 50 0 IHAARN C[C@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000003228148 568743304 /nfs/dbraw/zinc/74/33/04/568743304.db2.gz GWNUMCUOLSFEOH-MRXNPFEDSA-N 0 0 444.443 3.645 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(I)cc1 ZINC000003265281 568744241 /nfs/dbraw/zinc/74/42/41/568744241.db2.gz MTWIJXGLVBJNSD-CQSZACIVSA-N 0 0 437.277 3.586 50 0 IHAARN COc1ccc(CCNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000003322111 568746029 /nfs/dbraw/zinc/74/60/29/568746029.db2.gz GIFLODBIVYSOIA-UHFFFAOYSA-N 0 0 433.504 3.815 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc2)no1 ZINC000044094542 568748192 /nfs/dbraw/zinc/74/81/92/568748192.db2.gz RJMLJNUSUDXMET-UHFFFAOYSA-N 0 0 432.311 3.963 50 0 IHAARN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC ZINC000003662955 568753592 /nfs/dbraw/zinc/75/35/92/568753592.db2.gz FWHQMBJAHDPNNO-ZROIWOOFSA-N 0 0 425.348 3.857 50 0 IHAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)NCCc4ccncc4)c3C3CC3)n2)c1 ZINC000299757998 568755489 /nfs/dbraw/zinc/75/54/89/568755489.db2.gz MGSAAKQEYOGYBG-UHFFFAOYSA-N 0 0 440.507 3.583 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 ZINC000015323928 568758349 /nfs/dbraw/zinc/75/83/49/568758349.db2.gz LZQOMBZYVKLPIF-UHFFFAOYSA-N 0 0 434.561 3.733 50 0 IHAARN COC(=O)c1cn([C@H](Cc2nc3ccccc3[nH]2)c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587232 568760415 /nfs/dbraw/zinc/76/04/15/568760415.db2.gz DRQZOODYRSZDOW-LJQANCHMSA-N 0 0 447.882 3.825 50 0 IHAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(C(=O)OC)c(CC(C)C)s1 ZINC000263588133 568760981 /nfs/dbraw/zinc/76/09/81/568760981.db2.gz PLPPEFLUPSGMLP-UHFFFAOYSA-N 0 0 445.541 3.747 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1C(C)C ZINC000015400360 568761971 /nfs/dbraw/zinc/76/19/71/568761971.db2.gz NDAJXGWXRKYGDC-UHFFFAOYSA-N 0 0 429.586 3.842 50 0 IHAARN Cn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000334157027 568762143 /nfs/dbraw/zinc/76/21/43/568762143.db2.gz PTQZVPVQVWIIBN-UHFFFAOYSA-O 0 0 445.322 3.639 50 0 IHAARN CCOC(=O)C[C@@H](NC(=O)c1cc2c(nc3ccccn3c2=O)s1)c1ccc(C)cc1 ZINC000015441502 568762314 /nfs/dbraw/zinc/76/23/14/568762314.db2.gz CKNIFRMPJJTQQY-QGZVFWFLSA-N 0 0 435.505 3.642 50 0 IHAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001243731 568774719 /nfs/dbraw/zinc/77/47/19/568774719.db2.gz LSCKGEMWQVDRCI-SFHVURJKSA-N 0 0 443.912 3.770 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O ZINC000263615013 568775846 /nfs/dbraw/zinc/77/58/46/568775846.db2.gz ADUYMUIJZXIMFJ-UHFFFAOYSA-N 0 0 430.439 3.806 50 0 IHAARN COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(Br)cc4)ccn3n2)c1 ZINC000263615787 568776210 /nfs/dbraw/zinc/77/62/10/568776210.db2.gz FFGVTORPIFBPRU-HXUWFJFHSA-N 0 0 440.297 3.668 50 0 IHAARN Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)no2)cc1C ZINC000263616690 568776683 /nfs/dbraw/zinc/77/66/83/568776683.db2.gz KBEDCYWQKDZULA-UHFFFAOYSA-N 0 0 445.454 3.510 50 0 IHAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC)c(OC)c5)no4)cc3CO2)cc1 ZINC000263618415 568777687 /nfs/dbraw/zinc/77/76/87/568777687.db2.gz SXIMRDQHXMCVCH-NRFANRHFSA-N 0 0 434.452 3.897 50 0 IHAARN Cn1c2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CC(C)(C)C5)cc2oc1=O ZINC000001320753 568779893 /nfs/dbraw/zinc/77/98/93/568779893.db2.gz IGLLAZJVCDVDPX-UHFFFAOYSA-N 0 0 440.477 3.834 50 0 IHAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(C)c(C)c4)n3n2)cc1 ZINC000045939097 568783452 /nfs/dbraw/zinc/78/34/52/568783452.db2.gz OAGCCGNGSGZALW-UHFFFAOYSA-N 0 0 433.537 3.995 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000083937324 568786155 /nfs/dbraw/zinc/78/61/55/568786155.db2.gz QXEWJCLPMBYXBH-HNNXBMFYSA-N 0 0 432.904 3.857 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000001401313 568786238 /nfs/dbraw/zinc/78/62/38/568786238.db2.gz VUWLAAFWMJSVRV-INIZCTEOSA-N 0 0 443.750 3.894 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)N3CCc4ccccc43)n2)ccc1C ZINC000016625053 568787281 /nfs/dbraw/zinc/78/72/81/568787281.db2.gz ULOKCHKJTMYIQR-QGZVFWFLSA-N 0 0 430.508 3.718 50 0 IHAARN COc1cccc(-c2nnc(SCCCNC(=O)C(F)(F)F)n2Cc2ccco2)c1 ZINC000083975784 568787571 /nfs/dbraw/zinc/78/75/71/568787571.db2.gz BVAGSYUKDIJNLA-UHFFFAOYSA-N 0 0 440.447 3.756 50 0 IHAARN COCc1nc2sc(C(=O)N(C[C@@H](O)c3ccc(F)cc3)C3CC3)c(C)c2c(OC)n1 ZINC000084066841 568791063 /nfs/dbraw/zinc/79/10/63/568791063.db2.gz HUPVZYHNBQKOPD-MRXNPFEDSA-N 0 0 445.516 3.632 50 0 IHAARN Cc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O ZINC000084089968 568792358 /nfs/dbraw/zinc/79/23/58/568792358.db2.gz BYPOAPJTTFSVQL-HSZRJFAPSA-N 0 0 429.520 3.913 50 0 IHAARN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000084104840 568792759 /nfs/dbraw/zinc/79/27/59/568792759.db2.gz LSXCSAIUDTWBNY-NRFANRHFSA-N 0 0 445.441 3.952 50 0 IHAARN CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C(C)=O)C1=O ZINC000001424525 568793778 /nfs/dbraw/zinc/79/37/78/568793778.db2.gz PSGPKOJDUNKVMZ-SFHVURJKSA-N 0 0 449.688 3.722 50 0 IHAARN NC(=O)C1CCN(c2ccccc2NS(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000084562884 568798762 /nfs/dbraw/zinc/79/87/62/568798762.db2.gz VIGMRMNJGXTNQR-UHFFFAOYSA-N 0 0 435.549 3.856 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000015583918 568799013 /nfs/dbraw/zinc/79/90/13/568799013.db2.gz LAXGCZZHWMCWPI-QHCPKHFHSA-N 0 0 438.524 3.566 50 0 IHAARN O=C(N[C@H]1CCCN(c2ncccn2)C1)C1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000084613415 568799152 /nfs/dbraw/zinc/79/91/52/568799152.db2.gz QTYJCLZQZZGPSQ-INIZCTEOSA-N 0 0 435.355 3.617 50 0 IHAARN C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(C)(C)O1 ZINC000084705700 568799956 /nfs/dbraw/zinc/79/99/56/568799956.db2.gz WYDANFBJOUJGBJ-CYBMUJFWSA-N 0 0 435.318 3.863 50 0 IHAARN CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000084752992 568800929 /nfs/dbraw/zinc/80/09/29/568800929.db2.gz DSIDFLXZNQQVDA-IBGZPJMESA-N 0 0 431.330 3.622 50 0 IHAARN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1c2ccccc2C[C@@H]1C(=O)OC(C)(C)C ZINC000084752655 568801092 /nfs/dbraw/zinc/80/10/92/568801092.db2.gz WPUYRKJZHUKYEA-DHIUTWEWSA-N 0 0 434.536 3.822 50 0 IHAARN CCN(CCCNC(=O)C[C@H](NC(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000032425713 568801639 /nfs/dbraw/zinc/80/16/39/568801639.db2.gz XBPSWURZVCBQFP-IBGZPJMESA-N 0 0 447.377 3.581 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)cc1 ZINC000015670110 568802116 /nfs/dbraw/zinc/80/21/16/568802116.db2.gz UCCJWHFDSDUDAI-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3F)n2)c1 ZINC000015670530 568802531 /nfs/dbraw/zinc/80/25/31/568802531.db2.gz IQMIUYHFFZYYDK-QGZVFWFLSA-N 0 0 448.433 3.794 50 0 IHAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1 ZINC000015670583 568802559 /nfs/dbraw/zinc/80/25/59/568802559.db2.gz VKRAXFWGXRZTOY-GOSISDBHSA-N 0 0 430.443 3.655 50 0 IHAARN COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)ccc3F)n2)c1 ZINC000015670533 568802577 /nfs/dbraw/zinc/80/25/77/568802577.db2.gz WROYZIGRXWHFTN-KRWDZBQOSA-N 0 0 448.433 3.794 50 0 IHAARN Cc1nn(-c2nncc(-c3ccc(F)cc3)n2)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000015670631 568802587 /nfs/dbraw/zinc/80/25/87/568802587.db2.gz XNSOXJCCGDFFSS-MRXNPFEDSA-N 0 0 436.397 3.924 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000015675503 568803920 /nfs/dbraw/zinc/80/39/20/568803920.db2.gz BEAIPNCSPVJGQR-HOYKHHGWSA-N 0 0 427.545 3.857 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CN3c4ccccc4Oc4ncccc4C3=O)C[C@H]2C)c1 ZINC000015679962 568805827 /nfs/dbraw/zinc/80/58/27/568805827.db2.gz GHFWFRVVLRABSI-LJQANCHMSA-N 0 0 442.519 3.880 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1 ZINC000015722460 568812120 /nfs/dbraw/zinc/81/21/20/568812120.db2.gz ZOLRYMYZVQKLHR-UHFFFAOYSA-N 0 0 425.554 3.522 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000032533274 568812740 /nfs/dbraw/zinc/81/27/40/568812740.db2.gz MWPFLQAGYTZQBV-UHFFFAOYSA-N 0 0 428.536 3.631 50 0 IHAARN CCOc1ccccc1-c1cc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)O2)n[nH]1 ZINC000015729013 568813314 /nfs/dbraw/zinc/81/33/14/568813314.db2.gz WGSJSOLRFGBNCF-HSZRJFAPSA-N 0 0 436.468 3.732 50 0 IHAARN CC(=O)Nc1nc2ccc(NC(=O)CCCN3C(=O)COc4ccc(C)cc43)cc2s1 ZINC000015729286 568813424 /nfs/dbraw/zinc/81/34/24/568813424.db2.gz RYUZFPZVXDYMNH-UHFFFAOYSA-N 0 0 438.509 3.707 50 0 IHAARN C[C@@H]1CSc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2NC1=O ZINC000015730845 568814113 /nfs/dbraw/zinc/81/41/13/568814113.db2.gz PJNRYSIQGRCPOA-SNVBAGLBSA-N 0 0 427.345 3.930 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000001464711 568820253 /nfs/dbraw/zinc/82/02/53/568820253.db2.gz UKUJCVCQNABSFR-INIZCTEOSA-N 0 0 428.554 3.862 50 0 IHAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000015768711 568822157 /nfs/dbraw/zinc/82/21/57/568822157.db2.gz QMGARXRJGHMUHI-UHFFFAOYSA-N 0 0 440.565 3.912 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)Nc1ccc(F)cc1F ZINC000015776429 568823828 /nfs/dbraw/zinc/82/38/28/568823828.db2.gz OEEYJVKNRUGROX-UHFFFAOYSA-N 0 0 426.402 3.725 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1C ZINC000015783889 568826550 /nfs/dbraw/zinc/82/65/50/568826550.db2.gz JSLDCPSDBZJULV-UHFFFAOYSA-N 0 0 442.566 3.604 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 ZINC000015783883 568826573 /nfs/dbraw/zinc/82/65/73/568826573.db2.gz KJDYJGGTFDLMAJ-UHFFFAOYSA-N 0 0 426.567 3.904 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c(C)c1 ZINC000015783965 568826754 /nfs/dbraw/zinc/82/67/54/568826754.db2.gz CMPPCVVXGRLCHE-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN COc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(-c3ccc(C)cc3)c4=O)n2)cc1 ZINC000085601767 568827232 /nfs/dbraw/zinc/82/72/32/568827232.db2.gz JYXHXLFTAMYVOD-UHFFFAOYSA-N 0 0 426.432 3.713 50 0 IHAARN Cc1[nH]c(C(=O)Nc2cccc(-c3ccno3)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000085598142 568827454 /nfs/dbraw/zinc/82/74/54/568827454.db2.gz VFEXTEUJPRIQCS-UHFFFAOYSA-N 0 0 442.541 3.959 50 0 IHAARN COc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)c1OC ZINC000085642008 568829100 /nfs/dbraw/zinc/82/91/00/568829100.db2.gz ZCFJOLKVZIKIRB-UHFFFAOYSA-N 0 0 429.498 3.595 50 0 IHAARN CCN(CC)C(=O)Cn1nc2c(Oc3ccc(C(C)C)cc3)nc3ccccc3n2c1=O ZINC000085644481 568829442 /nfs/dbraw/zinc/82/94/42/568829442.db2.gz PPYORVWJVXQORW-UHFFFAOYSA-N 0 0 433.512 3.828 50 0 IHAARN Cc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4cccc(F)c4)o3)CC2=O)cc1 ZINC000015785002 568829792 /nfs/dbraw/zinc/82/97/92/568829792.db2.gz MTTTTZPXOVOAGI-AWEZNQCLSA-N 0 0 426.473 3.768 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2OC)c1C ZINC000085711519 568834850 /nfs/dbraw/zinc/83/48/50/568834850.db2.gz UOFSYXHCNBGDAS-GOSISDBHSA-N 0 0 444.528 3.647 50 0 IHAARN CCc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000015827293 568840943 /nfs/dbraw/zinc/84/09/43/568840943.db2.gz AMJYVVQUOAKREU-UHFFFAOYSA-N 0 0 449.532 3.701 50 0 IHAARN CCOC(=O)Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3CC)CC2)cc1 ZINC000015827813 568841127 /nfs/dbraw/zinc/84/11/27/568841127.db2.gz FCQXRHBRNWYRQK-UHFFFAOYSA-N 0 0 435.528 3.516 50 0 IHAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 ZINC000004542979 568841859 /nfs/dbraw/zinc/84/18/59/568841859.db2.gz CBDNGZBGXXDVRS-OJXRJRMYSA-N 0 0 435.483 3.838 50 0 IHAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000004764718 568842063 /nfs/dbraw/zinc/84/20/63/568842063.db2.gz XPJZDZJUQJWXQX-RXVVDRJESA-N 0 0 426.513 3.576 50 0 IHAARN COc1ccc(CO[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](COCc3ccccc3)O[C@H]2OC)cc1 ZINC000257355520 568844102 /nfs/dbraw/zinc/84/41/02/568844102.db2.gz BAIZHVCQJXUTMV-LYCSZFELSA-N 0 0 444.524 3.689 50 0 IHAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cnccn4)cc3C)s2)cc1 ZINC000015862030 568848403 /nfs/dbraw/zinc/84/84/03/568848403.db2.gz OHZYGBRCSHJGKQ-UHFFFAOYSA-N 0 0 439.522 3.756 50 0 IHAARN COc1ccc(OCc2nnc(SCc3cc(=O)c4cccc(OC)c4[nH]3)n2C)cc1 ZINC000015865348 568850122 /nfs/dbraw/zinc/85/01/22/568850122.db2.gz VFTLNXMRDFFCKL-UHFFFAOYSA-N 0 0 438.509 3.545 50 0 IHAARN Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000015882293 568856350 /nfs/dbraw/zinc/85/63/50/568856350.db2.gz NCNNHRHWXMGCPY-UHFFFAOYSA-N 0 0 443.960 3.693 50 0 IHAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000015883975 568858343 /nfs/dbraw/zinc/85/83/43/568858343.db2.gz NJYRAESIVICJHL-UHFFFAOYSA-N 0 0 433.560 3.528 50 0 IHAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414854 568862480 /nfs/dbraw/zinc/86/24/80/568862480.db2.gz LYKRXJYRYFRZEU-QGZVFWFLSA-N 0 0 448.393 3.852 50 0 IHAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NCC1CCCCC1 ZINC000016044332 568868637 /nfs/dbraw/zinc/86/86/37/568868637.db2.gz DCSIWMPMCOYART-KRWDZBQOSA-N 0 0 448.519 3.725 50 0 IHAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)s1 ZINC000016047735 568869209 /nfs/dbraw/zinc/86/92/09/568869209.db2.gz IPYZYHRXOXXDJW-UHFFFAOYSA-N 0 0 437.886 3.615 50 0 IHAARN C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000575443900 568869756 /nfs/dbraw/zinc/86/97/56/568869756.db2.gz UUSNRMBIHDMANV-AREMUKBSSA-N 0 0 446.551 3.567 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCSc1ccc(Br)cc1 ZINC000012946797 568871288 /nfs/dbraw/zinc/87/12/88/568871288.db2.gz UKPGSOFQSUILHU-AWEZNQCLSA-N 0 0 437.359 3.972 50 0 IHAARN COc1ccc(CCn2c(=O)cc(O)nc2SCc2ccc(Cl)cc2)cc1OC ZINC000012949276 568871857 /nfs/dbraw/zinc/87/18/57/568871857.db2.gz WPIXKIWIDFNRSB-UHFFFAOYSA-N 0 0 432.929 3.948 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)c1C ZINC000016145479 568872072 /nfs/dbraw/zinc/87/20/72/568872072.db2.gz NYBGMEUXVLBEBG-AATRIKPKSA-N 0 0 436.917 3.588 50 0 IHAARN O=S(=O)(c1cccc(CN(Cc2ccco2)Cc2cccs2)c1)N1CCOCC1 ZINC000012951126 568872279 /nfs/dbraw/zinc/87/22/79/568872279.db2.gz URMUZLSLTWHPJD-UHFFFAOYSA-N 0 0 432.567 3.564 50 0 IHAARN O=C(NCc1ccccn1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000006191371 568876441 /nfs/dbraw/zinc/87/64/41/568876441.db2.gz RXZUSOAOPXXTJW-UHFFFAOYSA-N 0 0 435.427 3.831 50 0 IHAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2Br)c2ccsc2)n1 ZINC000575613682 568879798 /nfs/dbraw/zinc/87/97/98/568879798.db2.gz KCOYQKWWRJPNOP-INIZCTEOSA-N 0 0 440.388 3.892 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(Cl)c2)cc1 ZINC000006245602 568880961 /nfs/dbraw/zinc/88/09/61/568880961.db2.gz BNVAAJNCHAQWDZ-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN O=C(Cc1ccccc1Br)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575615842 568881348 /nfs/dbraw/zinc/88/13/48/568881348.db2.gz GNSYWIGMOKHISC-MRXNPFEDSA-N 0 0 426.314 3.565 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)CC2=O)cc1C ZINC000575619478 568882958 /nfs/dbraw/zinc/88/29/58/568882958.db2.gz MHVGXVRTNLESDB-HYBUGGRVSA-N 0 0 428.536 3.564 50 0 IHAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1Cl ZINC000009569124 568883968 /nfs/dbraw/zinc/88/39/68/568883968.db2.gz FNHSRJHSFZADCV-UHFFFAOYSA-N 0 0 429.723 3.895 50 0 IHAARN CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC ZINC000089267873 568887517 /nfs/dbraw/zinc/88/75/17/568887517.db2.gz LRCKVCWYQWSXGR-UHFFFAOYSA-N 0 0 432.542 3.829 50 0 IHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC ZINC000089267959 568887597 /nfs/dbraw/zinc/88/75/97/568887597.db2.gz PQLJQKALZHPLPH-UHFFFAOYSA-N 0 0 432.542 3.523 50 0 IHAARN CC(C)Cn1c(S[C@@H](C)C(=O)NC(C)C)nc2ccc(Br)cc2c1=O ZINC000012974733 568890162 /nfs/dbraw/zinc/89/01/62/568890162.db2.gz YEUDEKUXUZRUHB-LBPRGKRZSA-N 0 0 426.380 3.820 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 ZINC000090607889 568890415 /nfs/dbraw/zinc/89/04/15/568890415.db2.gz SPGZSYVSNHJYJR-UHFFFAOYSA-N 0 0 428.418 3.596 50 0 IHAARN Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000090608009 568890548 /nfs/dbraw/zinc/89/05/48/568890548.db2.gz QQAYTPMSDSBFTE-UHFFFAOYSA-N 0 0 425.443 3.556 50 0 IHAARN Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccccc3C)c(=O)c2c1C ZINC000012979079 568891822 /nfs/dbraw/zinc/89/18/22/568891822.db2.gz YNOJIANCKUYCEZ-INIZCTEOSA-N 0 0 443.594 3.760 50 0 IHAARN Cc1ccc(OCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 ZINC000012979141 568891836 /nfs/dbraw/zinc/89/18/36/568891836.db2.gz OPXMWMOYGWRWBD-OAHLLOKOSA-N 0 0 429.318 3.937 50 0 IHAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000090610584 568892222 /nfs/dbraw/zinc/89/22/22/568892222.db2.gz FFRAGJCOACTNFB-CYBMUJFWSA-N 0 0 428.510 3.849 50 0 IHAARN COc1cccc2cc(C(=O)NCc3ccc([C@@H](O)c4cccs4)s3)c(=O)oc21 ZINC000090613649 568892446 /nfs/dbraw/zinc/89/24/46/568892446.db2.gz FFHFCERSCLZXMF-SFHVURJKSA-N 0 0 427.503 3.936 50 0 IHAARN CC(C)(C)c1cccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 ZINC000012981224 568894337 /nfs/dbraw/zinc/89/43/37/568894337.db2.gz RWHOINJSTAWLCC-FQEVSTJZSA-N 0 0 449.551 3.807 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000012988452 568895343 /nfs/dbraw/zinc/89/53/43/568895343.db2.gz VMQGCIBGTXSQOE-UHFFFAOYSA-N 0 0 435.501 3.832 50 0 IHAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000032987914 568895783 /nfs/dbraw/zinc/89/57/83/568895783.db2.gz LKQIWVUAQCDHGQ-NELJVSICSA-N 0 0 448.592 3.937 50 0 IHAARN C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012996333 568896733 /nfs/dbraw/zinc/89/67/33/568896733.db2.gz XEHVPXSKWPUMHJ-XHDPSFHLSA-N 0 0 426.888 3.674 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCC2=CCCCC2)cc1 ZINC000012998145 568897213 /nfs/dbraw/zinc/89/72/13/568897213.db2.gz WQMANAOZOROSOY-UHFFFAOYSA-N 0 0 440.612 3.990 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)s1 ZINC000013003139 568898575 /nfs/dbraw/zinc/89/85/75/568898575.db2.gz HGLHBDWJLGKBST-CYBMUJFWSA-N 0 0 443.388 3.858 50 0 IHAARN C[C@@H](SCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)C(=O)NCCc1ccccc1 ZINC000013014180 568901817 /nfs/dbraw/zinc/90/18/17/568901817.db2.gz SFICGKFFVFMNRE-CQSZACIVSA-N 0 0 442.976 3.831 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000013038249 568904368 /nfs/dbraw/zinc/90/43/68/568904368.db2.gz YJGCTEABSHXFDN-UHFFFAOYSA-N 0 0 431.539 3.538 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(OC)c1 ZINC000239415265 568911516 /nfs/dbraw/zinc/91/15/16/568911516.db2.gz UBZIBLXCIWQIKU-XPWALMASSA-N 0 0 448.450 3.894 50 0 IHAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCC[C@H]1c1nc3ccccc3s1)C2=O ZINC000239433427 568911573 /nfs/dbraw/zinc/91/15/73/568911573.db2.gz XROQYLQZQPBBHA-LPXYKDPNSA-N 0 0 440.569 3.851 50 0 IHAARN Cc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1 ZINC000001855731 568916925 /nfs/dbraw/zinc/91/69/25/568916925.db2.gz MLOJABPGLLZBKJ-UHFFFAOYSA-N 0 0 431.608 3.901 50 0 IHAARN COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000089292047 568919891 /nfs/dbraw/zinc/91/98/91/568919891.db2.gz UTJXJOSDUYTGPW-MUUNZHRXSA-N 0 0 425.909 3.598 50 0 IHAARN COCCn1c(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc2ccccc21 ZINC000089335259 568920588 /nfs/dbraw/zinc/92/05/88/568920588.db2.gz BMOUOTBUBCHBKP-IBGZPJMESA-N 0 0 432.929 3.542 50 0 IHAARN CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC000001917061 568922685 /nfs/dbraw/zinc/92/26/85/568922685.db2.gz VHAXBHXSQDYLMB-GOSISDBHSA-N 0 0 449.290 3.796 50 0 IHAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(C(=O)OC)cc3)cc2oc1=O ZINC000001120423 568924645 /nfs/dbraw/zinc/92/46/45/568924645.db2.gz PMQCBIQGMGMOJM-UHFFFAOYSA-N 0 0 430.840 3.836 50 0 biogenic IHAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1c(F)cccc1F)C2 ZINC000064566187 568932981 /nfs/dbraw/zinc/93/29/81/568932981.db2.gz CMPQOGVMWHWWFQ-UHFFFAOYSA-N 0 0 439.397 3.753 50 0 IHAARN Cc1ccc(CNC(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1 ZINC000064566469 568932983 /nfs/dbraw/zinc/93/29/83/568932983.db2.gz BAUHOSWRHDITQP-UHFFFAOYSA-N 0 0 442.523 3.637 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c1 ZINC000064566198 568933019 /nfs/dbraw/zinc/93/30/19/568933019.db2.gz VLYFSWPWHNSPLM-UHFFFAOYSA-N 0 0 427.508 3.876 50 0 IHAARN Cc1cccc(OCC(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c1 ZINC000064566193 568933048 /nfs/dbraw/zinc/93/30/48/568933048.db2.gz FLANVQCOKSXOBT-UHFFFAOYSA-N 0 0 447.470 3.548 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)cc1F ZINC000064566220 568933154 /nfs/dbraw/zinc/93/31/54/568933154.db2.gz ZPFSUUSSPLRJFK-UHFFFAOYSA-N 0 0 431.471 3.707 50 0 IHAARN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCc4ccccc4Cl)cc3)C2=O)CC1 ZINC000064567197 568933325 /nfs/dbraw/zinc/93/33/25/568933325.db2.gz DDYUXLYXKQGXOK-UHFFFAOYSA-N 0 0 437.927 3.759 50 0 IHAARN CCOc1ccccc1CNC(=O)c1ccc(N2C(=O)C=C(N3CCC(C)CC3)C2=O)cc1 ZINC000064567215 568933392 /nfs/dbraw/zinc/93/33/92/568933392.db2.gz ITMMSEZZBPHPFB-UHFFFAOYSA-N 0 0 447.535 3.504 50 0 IHAARN CCOc1ccc(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)cc1 ZINC000064567218 568933502 /nfs/dbraw/zinc/93/35/02/568933502.db2.gz KVBPLQDKSFRKMX-UHFFFAOYSA-N 0 0 447.535 3.504 50 0 IHAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1 ZINC000064568506 568933731 /nfs/dbraw/zinc/93/37/31/568933731.db2.gz PHDCRWANFTVHPM-UHFFFAOYSA-N 0 0 437.521 3.963 50 0 IHAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)cc1 ZINC000064593775 568936086 /nfs/dbraw/zinc/93/60/86/568936086.db2.gz JSJFDFQMJULPEW-UHFFFAOYSA-N 0 0 440.912 3.826 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CCn3c4ccccc4c(=O)[nH]c3=O)ccc21 ZINC000027008143 568937234 /nfs/dbraw/zinc/93/72/34/568937234.db2.gz AJNLOMGUZGCAJC-UHFFFAOYSA-N 0 0 426.476 3.846 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000016689625 568938164 /nfs/dbraw/zinc/93/81/64/568938164.db2.gz VKBBMZSDEWUHGX-INIZCTEOSA-N 0 0 438.911 3.720 50 0 IHAARN CCCCCC(=O)N[C@H](NC(=S)NNc1ccccc1O)C(Cl)(Cl)Cl ZINC000027026394 568939427 /nfs/dbraw/zinc/93/94/27/568939427.db2.gz HKZJLIDFHKBVIS-CYBMUJFWSA-N 0 0 427.785 3.576 50 0 IHAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(F)cc3C)n2)cc1 ZINC000064605326 568939445 /nfs/dbraw/zinc/93/94/45/568939445.db2.gz KCCSWCHSSHWAQR-UHFFFAOYSA-N 0 0 436.487 3.899 50 0 IHAARN O=C(NCc1cccc(Cl)c1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000064665404 568942733 /nfs/dbraw/zinc/94/27/33/568942733.db2.gz LOCZFPQCBNXMFK-UHFFFAOYSA-N 0 0 426.879 3.652 50 0 IHAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000036083716 568947467 /nfs/dbraw/zinc/94/74/67/568947467.db2.gz GPGDEYZBYHGIBJ-FQEVSTJZSA-N 0 0 430.888 3.941 50 0 IHAARN Cc1cccc(N2CCN(C(=O)c3nnn(Cc4cccc(F)c4)c3-n3cccc3)CC2)c1 ZINC000064744070 568948811 /nfs/dbraw/zinc/94/88/11/568948811.db2.gz ANAPKPKHZVPIRF-UHFFFAOYSA-N 0 0 444.514 3.527 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000064746435 568949558 /nfs/dbraw/zinc/94/95/58/568949558.db2.gz FCXSYCDIUDVPBA-UHFFFAOYSA-N 0 0 436.512 3.920 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@@H](C)CC4 ZINC000064775407 568954506 /nfs/dbraw/zinc/95/45/06/568954506.db2.gz JBYGQCJCRIMWFF-ZDUSSCGKSA-N 0 0 435.553 3.740 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)cc(OC)c4)c(=O)[nH]c3C2)cc1 ZINC000064775537 568954702 /nfs/dbraw/zinc/95/47/02/568954702.db2.gz ZKYSVJUEPXKAJC-OAHLLOKOSA-N 0 0 448.475 3.566 50 0 IHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(C)=O)c1 ZINC000036117472 568955767 /nfs/dbraw/zinc/95/57/67/568955767.db2.gz XLOZYMXXTRIVLB-OAQYLSRUSA-N 0 0 428.554 3.520 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 ZINC000064789921 568957160 /nfs/dbraw/zinc/95/71/60/568957160.db2.gz PXEJZKJTZCTVSL-HNNXBMFYSA-N 0 0 432.480 3.705 50 0 IHAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)COC ZINC000036120889 568957726 /nfs/dbraw/zinc/95/77/26/568957726.db2.gz DXCXJIWIJWYLJG-UZLBHIALSA-N 0 0 448.560 3.666 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC(C)C ZINC000036121327 568957876 /nfs/dbraw/zinc/95/78/76/568957876.db2.gz SFKUFLBPVMHBKI-FQEVSTJZSA-N 0 0 448.560 3.523 50 0 IHAARN CCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121494 568958395 /nfs/dbraw/zinc/95/83/95/568958395.db2.gz SONDKONUPIJEPH-HXUWFJFHSA-N 0 0 448.560 3.667 50 0 IHAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)NC(C)C ZINC000036123200 568958576 /nfs/dbraw/zinc/95/85/76/568958576.db2.gz ADZVSKKUWHFXAE-IBGZPJMESA-N 0 0 433.549 3.832 50 0 IHAARN COc1ccccc1N1C(=O)c2cc(C)nn2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064816439 568965166 /nfs/dbraw/zinc/96/51/66/568965166.db2.gz PNFDTMRFGWRGKV-HSZRJFAPSA-N 0 0 438.915 3.589 50 0 IHAARN COc1cccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000064816449 568965177 /nfs/dbraw/zinc/96/51/77/568965177.db2.gz HYCOJHOISZQNTE-HSZRJFAPSA-N 0 0 438.915 3.589 50 0 IHAARN CC(C)OC[C@@H](O)CN(Cc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156642 568965403 /nfs/dbraw/zinc/96/54/03/568965403.db2.gz LEXCZYIHPUYXRE-SFHVURJKSA-N 0 0 441.597 3.652 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1 ZINC000064818258 568966315 /nfs/dbraw/zinc/96/63/15/568966315.db2.gz YMEZEVXOPZJFHE-LJQANCHMSA-N 0 0 448.498 3.943 50 0 IHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCCC2)n(Cc2ccccc2)c3=O)o1 ZINC000064819516 568966548 /nfs/dbraw/zinc/96/65/48/568966548.db2.gz XOVGYMJLLBFBHS-UHFFFAOYSA-N 0 0 442.519 3.876 50 0 IHAARN COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000064820686 568967241 /nfs/dbraw/zinc/96/72/41/568967241.db2.gz WLMMBSQIVZZNBY-GOSISDBHSA-N 0 0 437.540 3.958 50 0 IHAARN Cc1ccc(-c2nc(CCN(C)C(=O)C3CCN(C(=O)c4ccccc4)CC3)no2)cc1 ZINC000064840837 568969883 /nfs/dbraw/zinc/96/98/83/568969883.db2.gz WXLPOBMXPSBONT-UHFFFAOYSA-N 0 0 432.524 3.598 50 0 IHAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(OC)c5)CC4)nn3)n2)cc1 ZINC000064837927 568970035 /nfs/dbraw/zinc/97/00/35/568970035.db2.gz WLXLIJMYMHALCB-UHFFFAOYSA-N 0 0 444.495 3.537 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)n2nc(-c3cccc(OC)c3)c3c(C)onc3c2=O)cc1 ZINC000064842515 568970781 /nfs/dbraw/zinc/97/07/81/568970781.db2.gz QLAMMTLSPAAYBD-AWEZNQCLSA-N 0 0 448.479 3.967 50 0 IHAARN COc1ccc2c(c1)NC1(CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000064848256 568971474 /nfs/dbraw/zinc/97/14/74/568971474.db2.gz UYBDVQCEHQLKSG-UHFFFAOYSA-N 0 0 447.535 3.989 50 0 biogenic IHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000064848183 568971555 /nfs/dbraw/zinc/97/15/55/568971555.db2.gz ZYZNMWULWKIRAK-UHFFFAOYSA-N 0 0 439.585 3.550 50 0 biogenic IHAARN COc1ccc(CCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1 ZINC000064847135 568972283 /nfs/dbraw/zinc/97/22/83/568972283.db2.gz GGXWPURDJYQWJD-UHFFFAOYSA-N 0 0 431.577 3.507 50 0 IHAARN CCOC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000036205026 568972673 /nfs/dbraw/zinc/97/26/73/568972673.db2.gz FOLSMWSCKMCQCP-SJLPKXTDSA-N 0 0 441.597 3.509 50 0 IHAARN COC[C@@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036207162 568973173 /nfs/dbraw/zinc/97/31/73/568973173.db2.gz UIYMYELRBGAHQZ-INIZCTEOSA-N 0 0 445.585 3.516 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)cc4)sc3C2)cc1 ZINC000064868195 568975560 /nfs/dbraw/zinc/97/55/60/568975560.db2.gz KZNNVCBWIREPQB-UHFFFAOYSA-N 0 0 430.551 3.964 50 0 IHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC000036212205 568975957 /nfs/dbraw/zinc/97/59/57/568975957.db2.gz SZKIGZPWWDQRPH-XMMPIXPASA-N 0 0 447.579 3.577 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212357 568976139 /nfs/dbraw/zinc/97/61/39/568976139.db2.gz WWCLEMAUYASCRZ-NRFANRHFSA-N 0 0 441.597 3.576 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000036213188 568976830 /nfs/dbraw/zinc/97/68/30/568976830.db2.gz BYESFYAALAXSMD-GBXCKJPGSA-N 0 0 449.595 3.869 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872921 568978128 /nfs/dbraw/zinc/97/81/28/568978128.db2.gz RLZUXZKWVLWKIF-UHFFFAOYSA-N 0 0 434.471 3.909 50 0 IHAARN CCS(=O)(=O)CC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000064878568 568978567 /nfs/dbraw/zinc/97/85/67/568978567.db2.gz NBLCOKHGLYEFPD-UHFFFAOYSA-N 0 0 441.278 3.770 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000064889133 568980239 /nfs/dbraw/zinc/98/02/39/568980239.db2.gz MQYNQQOAXQDVFQ-UHFFFAOYSA-N 0 0 440.569 3.857 50 0 IHAARN CCCn1c2ccc(-c3noc(COc4ccc(Cl)cc4C)n3)cc2[nH]c(=O)c1=O ZINC000064890870 568980979 /nfs/dbraw/zinc/98/09/79/568980979.db2.gz HLBHSEBINUNMTK-UHFFFAOYSA-N 0 0 426.860 3.691 50 0 IHAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000064891572 568982548 /nfs/dbraw/zinc/98/25/48/568982548.db2.gz KQPXXRVZTUDVRV-UHFFFAOYSA-N 0 0 428.851 3.625 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000064892050 568982856 /nfs/dbraw/zinc/98/28/56/568982856.db2.gz HBDMZFRRSRNPIT-HNNXBMFYSA-N 0 0 436.899 3.517 50 0 IHAARN CCNC(=S)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)CC(C)C ZINC000036249662 568983583 /nfs/dbraw/zinc/98/35/83/568983583.db2.gz NTFUVQIHJUTYBJ-UHFFFAOYSA-N 0 0 433.597 3.585 50 0 IHAARN COc1cc(-c2noc(CCN(C(=O)c3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000006775157 568983595 /nfs/dbraw/zinc/98/35/95/568983595.db2.gz KIRPFWLUQSTVND-UHFFFAOYSA-N 0 0 425.485 3.856 50 0 IHAARN CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000036250464 568983817 /nfs/dbraw/zinc/98/38/17/568983817.db2.gz UKRHFGVUUABHIK-JOCHJYFZSA-N 0 0 432.008 3.915 50 0 IHAARN O=C(NCc1ccccc1F)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255471 568985046 /nfs/dbraw/zinc/98/50/46/568985046.db2.gz DELQZXZLHGWKHS-QHCPKHFHSA-N 0 0 441.522 3.598 50 0 IHAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064929205 568988194 /nfs/dbraw/zinc/98/81/94/568988194.db2.gz CLJINDFMYGNMNS-UHFFFAOYSA-N 0 0 436.581 3.915 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064929964 568988265 /nfs/dbraw/zinc/98/82/65/568988265.db2.gz CTVSMOGXBKYKKP-QGZVFWFLSA-N 0 0 426.473 3.915 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000169679382 568991031 /nfs/dbraw/zinc/99/10/31/568991031.db2.gz RNPYIIHNVGVQTG-UKILVPOCSA-N 0 0 447.604 3.983 50 0 IHAARN COc1cccc(CNC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)c1 ZINC000169681102 568991441 /nfs/dbraw/zinc/99/14/41/568991441.db2.gz VFHCJZQNRBMJOU-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCCC4)Nc1ccc(F)c(Cl)c1 ZINC000064945795 568993036 /nfs/dbraw/zinc/99/30/36/568993036.db2.gz BXQZNLUUOMRIBJ-UHFFFAOYSA-N 0 0 445.907 3.806 50 0 IHAARN CCc1ccc(Cn2c3nn(Cc4ccccc4C)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946536 568993666 /nfs/dbraw/zinc/99/36/66/568993666.db2.gz FFRVGPSGPVSYKX-UHFFFAOYSA-N 0 0 430.533 3.840 50 0 IHAARN O=c1n(Cc2cccc(Cl)c2)nc2n1c1ccsc1c(=O)n2Cc1cccs1 ZINC000064946473 568994283 /nfs/dbraw/zinc/99/42/83/568994283.db2.gz XYGGDPILXYJBAH-UHFFFAOYSA-N 0 0 428.926 3.684 50 0 IHAARN O=c1n(Cc2c(F)cccc2Cl)nc2n1c1ccsc1c(=O)n2Cc1cccs1 ZINC000064946478 568994297 /nfs/dbraw/zinc/99/42/97/568994297.db2.gz DFIRKZGFASEWFM-UHFFFAOYSA-N 0 0 446.916 3.823 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000064950823 568996148 /nfs/dbraw/zinc/99/61/48/568996148.db2.gz SGSLQYPMOKRAMX-UHFFFAOYSA-N 0 0 441.597 3.901 50 0 IHAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c1 ZINC000064951984 568997081 /nfs/dbraw/zinc/99/70/81/568997081.db2.gz XITPBHCFVQMCRN-UHFFFAOYSA-N 0 0 434.539 3.513 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036311886 568997339 /nfs/dbraw/zinc/99/73/39/568997339.db2.gz FJJHLZFISDYDPS-QFIPXVFZSA-N 0 0 427.495 3.920 50 0 IHAARN COc1cccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000036311693 568998408 /nfs/dbraw/zinc/99/84/08/568998408.db2.gz REYWYMNIEOEUFF-QHCPKHFHSA-N 0 0 439.531 3.790 50 0 IHAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036314162 568998913 /nfs/dbraw/zinc/99/89/13/568998913.db2.gz VFOBWRCXVILXCU-UHFFFAOYSA-N 0 0 427.545 3.652 50 0 IHAARN CCn1c2c(nc(-c3ccc(C(F)(F)F)cc3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965904 569000982 /nfs/dbraw/zinc/00/09/82/569000982.db2.gz MRSGOXBXBBQNFS-UHFFFAOYSA-N 0 0 445.376 3.526 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1C ZINC000064967720 569001353 /nfs/dbraw/zinc/00/13/53/569001353.db2.gz PTDPOBBPYDDQBD-UHFFFAOYSA-N 0 0 445.479 3.565 50 0 IHAARN CC[C@@H](C(=O)NCc1ccccc1F)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971069 569076502 /nfs/dbraw/zinc/07/65/02/569076502.db2.gz VZWOSUFNLKHYJJ-FQEVSTJZSA-N 0 0 433.487 3.606 50 0 IHAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCC(C)C)c3ccccc32)cc1 ZINC000064971663 569076730 /nfs/dbraw/zinc/07/67/30/569076730.db2.gz NVBYFOFNFQMSSQ-UHFFFAOYSA-N 0 0 438.528 3.633 50 0 IHAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)COc2ccc(F)cc2)c1 ZINC000064976722 569077115 /nfs/dbraw/zinc/07/71/15/569077115.db2.gz IHGHQUKYKUFWGM-UHFFFAOYSA-N 0 0 439.468 3.800 50 0 IHAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)COc3ccccc3)cc2=O)s1 ZINC000064976880 569077242 /nfs/dbraw/zinc/07/72/42/569077242.db2.gz BBJBQPZQJSQWKC-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN CC(C)n1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000064977799 569077614 /nfs/dbraw/zinc/07/76/14/569077614.db2.gz PFMMPVLMPRDUGE-UHFFFAOYSA-N 0 0 448.296 3.625 50 0 IHAARN CCCn1nnc2cc(C(=O)NCCC(=O)Nc3ccc(C)cc3Br)ccc21 ZINC000064977748 569077636 /nfs/dbraw/zinc/07/76/36/569077636.db2.gz RQENVSRDOTVPOS-UHFFFAOYSA-N 0 0 444.333 3.671 50 0 IHAARN COc1cc(OC)cc(-c2nc3c4ccccc4n(Cc4ccccc4F)c(=O)n3n2)c1 ZINC000064977864 569077717 /nfs/dbraw/zinc/07/77/17/569077717.db2.gz OCDOJFITEKGKHB-UHFFFAOYSA-N 0 0 430.439 3.916 50 0 IHAARN COc1cc(C(=O)NCc2ccc3c(c2)CCN3C(=O)CC(C)C)cc(OC)c1OC ZINC000064978417 569077868 /nfs/dbraw/zinc/07/78/68/569077868.db2.gz VBOGZVKRZAGKFO-UHFFFAOYSA-N 0 0 426.513 3.578 50 0 IHAARN Cc1ccc(C)c([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC3(CC2)OCCO3)c1 ZINC000036342686 569079424 /nfs/dbraw/zinc/07/94/24/569079424.db2.gz VGMODMQKDOGVBT-DEOSSOPVSA-N 0 0 433.552 3.820 50 0 IHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000036342372 569079510 /nfs/dbraw/zinc/07/95/10/569079510.db2.gz CJPSMETXTZBKLW-GOTSBHOMSA-N 0 0 437.515 3.921 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCC(C)C)Oc3ccc(Cl)cc32)cc1 ZINC000064986195 569081908 /nfs/dbraw/zinc/08/19/08/569081908.db2.gz NAJPEVZSVQYVDT-FQEVSTJZSA-N 0 0 436.961 3.767 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3cc(C)ccc32)cc1 ZINC000064985950 569082081 /nfs/dbraw/zinc/08/20/81/569082081.db2.gz RIJMSPAJBFBFRN-HSZRJFAPSA-N 0 0 436.533 3.576 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccc2c(c1)OCCCO2 ZINC000064987056 569082585 /nfs/dbraw/zinc/08/25/85/569082585.db2.gz IHMRMHFKUNUYKU-UHFFFAOYSA-N 0 0 430.460 3.943 50 0 IHAARN COc1ccccc1-c1nnc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000064987963 569082820 /nfs/dbraw/zinc/08/28/20/569082820.db2.gz CJEOMFDLXZUUGC-UHFFFAOYSA-N 0 0 429.498 3.595 50 0 IHAARN COc1cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc(OC)c1OC ZINC000064989782 569083036 /nfs/dbraw/zinc/08/30/36/569083036.db2.gz GDDNTTYHZQZJIK-UHFFFAOYSA-N 0 0 446.503 3.845 50 0 IHAARN O=C(c1cccc(-c2cc(N3CCCC3)ncn2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000064989535 569083039 /nfs/dbraw/zinc/08/30/39/569083039.db2.gz UGXAXDCTRDMZJT-UHFFFAOYSA-N 0 0 427.552 3.702 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064991490 569083679 /nfs/dbraw/zinc/08/36/79/569083679.db2.gz FQFRQGQSIIVWON-UHFFFAOYSA-N 0 0 445.888 3.803 50 0 IHAARN O=C(NC1CCCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000064999857 569086278 /nfs/dbraw/zinc/08/62/78/569086278.db2.gz HWMDGKGCMLOOPY-UHFFFAOYSA-N 0 0 448.610 3.889 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)cc1 ZINC000036360812 569086647 /nfs/dbraw/zinc/08/66/47/569086647.db2.gz JBAONRMYTLRSIA-UHFFFAOYSA-N 0 0 429.885 3.836 50 0 IHAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000036360752 569086689 /nfs/dbraw/zinc/08/66/89/569086689.db2.gz OKAABWDNEAJVHH-JOCHJYFZSA-N 0 0 438.503 3.849 50 0 IHAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CCN(c2ccccn2)CC1 ZINC000065004407 569086990 /nfs/dbraw/zinc/08/69/90/569086990.db2.gz UTXLRUNIBMPGRM-UHFFFAOYSA-N 0 0 430.555 3.577 50 0 IHAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)N1CCOCC1 ZINC000065005499 569087168 /nfs/dbraw/zinc/08/71/68/569087168.db2.gz GUBHRUALPIMKIA-UHFFFAOYSA-N 0 0 433.508 3.596 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4cc(F)ccc4OC)ncn3)CC2)cc1 ZINC000065008069 569087337 /nfs/dbraw/zinc/08/73/37/569087337.db2.gz WVXPZCKMSUAWDC-UHFFFAOYSA-N 0 0 437.475 3.654 50 0 IHAARN COc1cc(NC(=O)N2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc(OC)c1 ZINC000065007841 569087355 /nfs/dbraw/zinc/08/73/55/569087355.db2.gz PQKUQIAKZAKLFU-UHFFFAOYSA-N 0 0 433.512 3.823 50 0 IHAARN COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)ncn2)cc1 ZINC000065007571 569087639 /nfs/dbraw/zinc/08/76/39/569087639.db2.gz YIKQVVKVXRWPKZ-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4C)ncn3)CC2)cc1OC ZINC000065007611 569087727 /nfs/dbraw/zinc/08/77/27/569087727.db2.gz UDPHPVZUNQAHMY-UHFFFAOYSA-N 0 0 433.512 3.823 50 0 IHAARN COc1cccc(-c2cc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)ncn2)c1 ZINC000065007719 569087742 /nfs/dbraw/zinc/08/77/42/569087742.db2.gz KJGWSTSVDBLULF-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COc1ccc(-c2ccc(Nc3cc(F)ccc3F)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009556 569087973 /nfs/dbraw/zinc/08/79/73/569087973.db2.gz FGQVZOGDASNHHN-UHFFFAOYSA-N 0 0 446.479 3.959 50 0 IHAARN COc1ccc(-c2ccc(Nc3ccc(F)cc3F)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009572 569087979 /nfs/dbraw/zinc/08/79/79/569087979.db2.gz IQRXJWOHHCFKRG-UHFFFAOYSA-N 0 0 446.479 3.959 50 0 IHAARN CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000036370017 569088472 /nfs/dbraw/zinc/08/84/72/569088472.db2.gz ULVXXXZYOUFJDL-UHFFFAOYSA-N 0 0 431.496 3.589 50 0 biogenic IHAARN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021149 569088644 /nfs/dbraw/zinc/08/86/44/569088644.db2.gz VGWNWODISUFIBQ-UHFFFAOYSA-N 0 0 430.570 3.844 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000036370443 569088660 /nfs/dbraw/zinc/08/86/60/569088660.db2.gz LBZWKNDPUBTGPH-YOEHRIQHSA-N 0 0 432.521 3.562 50 0 IHAARN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000065020843 569088681 /nfs/dbraw/zinc/08/86/81/569088681.db2.gz LBDRIWFGQIJLNI-SFHVURJKSA-N 0 0 441.597 3.539 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cnn3c2nccc3-c2ccc(C(C)C)cc2)CC1 ZINC000065026670 569089816 /nfs/dbraw/zinc/08/98/16/569089816.db2.gz HKAWPUJCESCBKR-UHFFFAOYSA-N 0 0 435.528 3.870 50 0 IHAARN CCOc1ccc(-c2ccnc3c(C(=O)NCc4cc(OC)ccc4OC)cnn32)cc1 ZINC000065026713 569089952 /nfs/dbraw/zinc/08/99/52/569089952.db2.gz VPDXNUBFIKCONG-UHFFFAOYSA-N 0 0 432.480 3.742 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1 ZINC000065030658 569091316 /nfs/dbraw/zinc/09/13/16/569091316.db2.gz ZSHLGHHZJGYDGJ-UHFFFAOYSA-N 0 0 430.599 3.890 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c(=O)c2c1 ZINC000065034764 569092236 /nfs/dbraw/zinc/09/22/36/569092236.db2.gz YJKMFKYMJJXGTO-UHFFFAOYSA-N 0 0 425.554 3.656 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cc(OC)cc(OC)c4)C3)n[nH]2)cc1 ZINC000169753911 569093723 /nfs/dbraw/zinc/09/37/23/569093723.db2.gz GCGJEEBYDZXZEG-GOSISDBHSA-N 0 0 436.512 3.501 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(Br)o4)C3)n[nH]2)cc1 ZINC000169753909 569093742 /nfs/dbraw/zinc/09/37/42/569093742.db2.gz FYRZUVHCTSUDSP-CQSZACIVSA-N 0 0 445.317 3.840 50 0 IHAARN CCCCc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(C)cc3)NC2=O)cc1 ZINC000169757986 569094128 /nfs/dbraw/zinc/09/41/28/569094128.db2.gz RQBCOQBHAINJGJ-QHCPKHFHSA-N 0 0 433.508 3.854 50 0 IHAARN O=C(NCc1ccccc1C(F)(F)F)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759874 569094681 /nfs/dbraw/zinc/09/46/81/569094681.db2.gz KJJXNSIWCFIXCB-FQEVSTJZSA-N 0 0 445.397 3.832 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000065058806 569095525 /nfs/dbraw/zinc/09/55/25/569095525.db2.gz UUTGUZAFFXUWCC-DEOSSOPVSA-N 0 0 441.528 3.663 50 0 IHAARN C[C@]1(C(=O)NCc2cccc(F)c2)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000065059648 569096169 /nfs/dbraw/zinc/09/61/69/569096169.db2.gz GBNRSXGZXJPQEO-SFHVURJKSA-N 0 0 430.954 3.648 50 0 IHAARN CCOc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061881 569096833 /nfs/dbraw/zinc/09/68/33/569096833.db2.gz NHDOJUAFRJIUOP-MRXNPFEDSA-N 0 0 436.599 3.500 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062079 569097073 /nfs/dbraw/zinc/09/70/73/569097073.db2.gz LWBMXFJSEAADNK-AWEZNQCLSA-N 0 0 426.991 3.755 50 0 IHAARN C[C@@H](C(=O)NCc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062344 569097411 /nfs/dbraw/zinc/09/74/11/569097411.db2.gz VFBUZNIJQWNSDB-CYBMUJFWSA-N 0 0 444.981 3.894 50 0 IHAARN C[C@H](C(=O)NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062303 569097484 /nfs/dbraw/zinc/09/74/84/569097484.db2.gz SRFZHSKBRNPJIE-ZDUSSCGKSA-N 0 0 444.981 3.894 50 0 IHAARN COc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)c1OC ZINC000169769159 569098045 /nfs/dbraw/zinc/09/80/45/569098045.db2.gz CKYDCBYGXZNVSR-KRWDZBQOSA-N 0 0 439.859 3.937 50 0 IHAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000169770268 569098292 /nfs/dbraw/zinc/09/82/92/569098292.db2.gz VUWNXEIJWPVBCR-UHFFFAOYSA-N 0 0 444.457 3.967 50 0 IHAARN COc1cccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCC3)no2)c1 ZINC000065076018 569099227 /nfs/dbraw/zinc/09/92/27/569099227.db2.gz SRHMEUNQRPCPDS-UHFFFAOYSA-N 0 0 432.484 3.560 50 0 IHAARN Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c(Cl)c1 ZINC000065075682 569099773 /nfs/dbraw/zinc/09/97/73/569099773.db2.gz CUTNFAGFCIXTKL-UHFFFAOYSA-N 0 0 440.935 3.887 50 0 IHAARN CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000065077717 569100596 /nfs/dbraw/zinc/10/05/96/569100596.db2.gz RCXNWOZHPJXCHM-CYBMUJFWSA-N 0 0 446.550 3.515 50 0 IHAARN Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000065077920 569100764 /nfs/dbraw/zinc/10/07/64/569100764.db2.gz WGBURQLDSPAHEG-HNNXBMFYSA-N 0 0 432.567 3.929 50 0 IHAARN O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000036397626 569101108 /nfs/dbraw/zinc/10/11/08/569101108.db2.gz BLHSZHBNYCCBAE-UHFFFAOYSA-N 0 0 439.415 3.508 50 0 IHAARN O=C1c2ccccc2[C@@](O)(c2ccc(Br)cc2)N1Cc1cn2ccccc2n1 ZINC000036398467 569101297 /nfs/dbraw/zinc/10/12/97/569101297.db2.gz JPXWHGJTGJUJOJ-QFIPXVFZSA-N 0 0 434.293 3.946 50 0 IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccc5ccccc5n4)ccn3n2)c1 ZINC000169775789 569101815 /nfs/dbraw/zinc/10/18/15/569101815.db2.gz FKPOGZGEIHVVKG-UHFFFAOYSA-N 0 0 437.503 3.758 50 0 IHAARN O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1cc(Cl)ccc1F ZINC000169775640 569101823 /nfs/dbraw/zinc/10/18/23/569101823.db2.gz SGLHUEBWVUWQDJ-UHFFFAOYSA-N 0 0 428.826 3.525 50 0 IHAARN CCOc1ccc(CC(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 ZINC000169775695 569101853 /nfs/dbraw/zinc/10/18/53/569101853.db2.gz KSAQABLZPWROIY-UHFFFAOYSA-N 0 0 444.535 3.537 50 0 IHAARN CCOc1ccccc1N1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 ZINC000169775590 569101863 /nfs/dbraw/zinc/10/18/63/569101863.db2.gz OXKBBLFZYXCQMZ-UHFFFAOYSA-N 0 0 428.496 3.919 50 0 IHAARN COc1ccccc1-n1nnc(C(=O)NCc2ccc(SC)cc2)c1-c1ccncc1 ZINC000065082992 569102170 /nfs/dbraw/zinc/10/21/70/569102170.db2.gz RNQVFFCIPIVLHN-UHFFFAOYSA-N 0 0 431.521 3.990 50 0 IHAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065085083 569102799 /nfs/dbraw/zinc/10/27/99/569102799.db2.gz WSUKJSADEQCMQT-UHFFFAOYSA-N 0 0 430.526 3.682 50 0 IHAARN Cc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777547 569102888 /nfs/dbraw/zinc/10/28/88/569102888.db2.gz BLLPYUIZPMQFIG-UHFFFAOYSA-N 0 0 428.496 3.710 50 0 IHAARN CCc1cccc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-c2cccnc2)c1 ZINC000065095861 569103489 /nfs/dbraw/zinc/10/34/89/569103489.db2.gz ATPCRCRQFGYMOW-UHFFFAOYSA-N 0 0 438.535 3.854 50 0 IHAARN COc1ccc(OCC(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 ZINC000065096821 569103708 /nfs/dbraw/zinc/10/37/08/569103708.db2.gz DZJWCUSHCMIKCE-VWLOTQADSA-N 0 0 430.504 3.911 50 0 IHAARN CCc1nc(-c2cccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)c2)cs1 ZINC000065098215 569104730 /nfs/dbraw/zinc/10/47/30/569104730.db2.gz LXLPVZUNBZHCOK-UHFFFAOYSA-N 0 0 426.523 3.901 50 0 IHAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccccc3)n2C)c1 ZINC000065099186 569105103 /nfs/dbraw/zinc/10/51/03/569105103.db2.gz LOEPNFFBFFBJQS-UHFFFAOYSA-N 0 0 434.525 3.622 50 0 IHAARN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099747 569105293 /nfs/dbraw/zinc/10/52/93/569105293.db2.gz DVPKCJYIXFJMEI-UHFFFAOYSA-N 0 0 436.497 3.754 50 0 IHAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000065114607 569106535 /nfs/dbraw/zinc/10/65/35/569106535.db2.gz YZPXRLBZRPWTHL-OAHLLOKOSA-N 0 0 438.553 3.957 50 0 IHAARN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000065115975 569107042 /nfs/dbraw/zinc/10/70/42/569107042.db2.gz XAXVAWYZUNTCKH-UHFFFAOYSA-N 0 0 441.509 3.759 50 0 IHAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)cc1 ZINC000065116535 569107271 /nfs/dbraw/zinc/10/72/71/569107271.db2.gz ITUHLSXYKIKWOQ-UHFFFAOYSA-N 0 0 446.554 3.706 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000065111928 569107768 /nfs/dbraw/zinc/10/77/68/569107768.db2.gz CFYHGOUUHUIZRK-UHFFFAOYSA-N 0 0 425.510 3.816 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000065112766 569108296 /nfs/dbraw/zinc/10/82/96/569108296.db2.gz RQXROQCEYCBSFA-UHFFFAOYSA-N 0 0 434.452 3.760 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)c3ccc4ccccc4n3)CC2)o1 ZINC000065117961 569108878 /nfs/dbraw/zinc/10/88/78/569108878.db2.gz VSGAANUQJBNFJC-UHFFFAOYSA-N 0 0 428.496 3.766 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000065118158 569108905 /nfs/dbraw/zinc/10/89/05/569108905.db2.gz NYEVDIBCGFWAJN-UHFFFAOYSA-N 0 0 439.903 3.633 50 0 IHAARN O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccccc2Br)no1 ZINC000065129640 569109002 /nfs/dbraw/zinc/10/90/02/569109002.db2.gz PMUQULMXHHNSPW-UHFFFAOYSA-N 0 0 431.196 3.990 50 0 IHAARN O=C(NC1CCCCCC1)c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1 ZINC000065130249 569109021 /nfs/dbraw/zinc/10/90/21/569109021.db2.gz AELVCDXDHBVDLE-UHFFFAOYSA-N 0 0 433.552 3.510 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 ZINC000065138575 569110660 /nfs/dbraw/zinc/11/06/60/569110660.db2.gz CHXBOQUZFQZKTQ-QGZVFWFLSA-N 0 0 446.617 3.641 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2[C@@](O)(c2cccc(C)c2)C1=O ZINC000065154943 569112307 /nfs/dbraw/zinc/11/23/07/569112307.db2.gz CZRMOAXJADOGDR-DEOSSOPVSA-N 0 0 436.895 3.878 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2c3ccccc3CC(=O)N2Cc2ccccc2)c1 ZINC000065170148 569112679 /nfs/dbraw/zinc/11/26/79/569112679.db2.gz QOESCPIWQMNTIL-RUZDIDTESA-N 0 0 430.504 3.646 50 0 IHAARN CCn1cc(CCN2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)c2cccnc21 ZINC000065164832 569112804 /nfs/dbraw/zinc/11/28/04/569112804.db2.gz ODTFKLBOYXKVOX-UHFFFAOYSA-N 0 0 447.004 3.567 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3ccc(NC(C)=O)cc3N3CCCCC3)CC2)c1 ZINC000065165766 569113021 /nfs/dbraw/zinc/11/30/21/569113021.db2.gz PYFSILVQTQGEHY-UHFFFAOYSA-N 0 0 436.556 3.606 50 0 IHAARN O=C(Cc1cccc(F)c1)N1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172420 569113098 /nfs/dbraw/zinc/11/30/98/569113098.db2.gz KDGRGBPEHZFNIH-UHFFFAOYSA-N 0 0 428.895 3.806 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171660 569113452 /nfs/dbraw/zinc/11/34/52/569113452.db2.gz PNKHSCINRBMHPM-UHFFFAOYSA-N 0 0 429.524 3.833 50 0 IHAARN CCc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000065179988 569113592 /nfs/dbraw/zinc/11/35/92/569113592.db2.gz VCARSADLOFBJML-UHFFFAOYSA-N 0 0 436.552 3.653 50 0 IHAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3ccc(F)c(F)c3)cccn12 ZINC000065185301 569114250 /nfs/dbraw/zinc/11/42/50/569114250.db2.gz SFVFWVVDOOWWIO-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)N1CCOCC1 ZINC000065179031 569114592 /nfs/dbraw/zinc/11/45/92/569114592.db2.gz PEORLUUAFVWDRT-GOSISDBHSA-N 0 0 442.943 3.744 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCOCC4)cc3)C2)c1 ZINC000065179041 569114611 /nfs/dbraw/zinc/11/46/11/569114611.db2.gz VWYUVJDBEBSJAR-OAQYLSRUSA-N 0 0 436.552 3.707 50 0 IHAARN COc1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000065199295 569115096 /nfs/dbraw/zinc/11/50/96/569115096.db2.gz PYULGUBSZSGVMP-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN CCN(Cc1ccccc1)C(=O)Cn1nc2cc(C)nc(-c3cccc(Cl)c3)n2c1=O ZINC000065196531 569115635 /nfs/dbraw/zinc/11/56/35/569115635.db2.gz NZNPVYKRQJSATR-UHFFFAOYSA-N 0 0 435.915 3.569 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4cccc(Cl)c4)n3c2=O)cc1 ZINC000065196509 569115654 /nfs/dbraw/zinc/11/56/54/569115654.db2.gz PISLMNCMKPWLIW-UHFFFAOYSA-N 0 0 437.887 3.557 50 0 IHAARN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)NCc1ccccc1C(F)(F)F ZINC000065202455 569116017 /nfs/dbraw/zinc/11/60/17/569116017.db2.gz FAUPBIKGHBQPRC-UHFFFAOYSA-N 0 0 426.398 3.522 50 0 IHAARN Cc1ccc(C(=O)N2CCc3sc(C(=O)NCc4ccc5c(c4)OCO5)cc3C2)cc1 ZINC000065201389 569116221 /nfs/dbraw/zinc/11/62/21/569116221.db2.gz RHMJPJVJMSWXCI-UHFFFAOYSA-N 0 0 434.517 3.914 50 0 IHAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000065210359 569116254 /nfs/dbraw/zinc/11/62/54/569116254.db2.gz VTKFHALBBWJCCJ-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc1OC ZINC000065210362 569116342 /nfs/dbraw/zinc/11/63/42/569116342.db2.gz QCRJKOVWCJMUGH-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN COc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCCCCC5)nc4)no3)CC2)c1 ZINC000065216261 569117052 /nfs/dbraw/zinc/11/70/52/569117052.db2.gz VMZNIYXNLANAOT-UHFFFAOYSA-N 0 0 448.571 3.843 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)c1 ZINC000065220357 569117213 /nfs/dbraw/zinc/11/72/13/569117213.db2.gz YBGJQDQDKHRCHY-UHFFFAOYSA-N 0 0 435.455 3.646 50 0 IHAARN COc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1OC ZINC000065220313 569117281 /nfs/dbraw/zinc/11/72/81/569117281.db2.gz RVSWTCXJIHCJJZ-UHFFFAOYSA-N 0 0 431.492 3.816 50 0 IHAARN CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000007001670 569117511 /nfs/dbraw/zinc/11/75/11/569117511.db2.gz KBBOHROMOVEHKE-FYSMJZIKSA-N 0 0 427.545 3.991 50 0 IHAARN Cc1ncc(-c2nc(-c3ccccc3)cs2)c(=O)n1CC(=O)N1CCc2ccccc2C1 ZINC000065232522 569119132 /nfs/dbraw/zinc/11/91/32/569119132.db2.gz IKLWMMIDXCIPSD-UHFFFAOYSA-N 0 0 442.544 3.927 50 0 IHAARN CCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3C)cc1 ZINC000065235437 569119266 /nfs/dbraw/zinc/11/92/66/569119266.db2.gz MPGXKPMHCXUKFZ-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN O=C(Nc1cccc(Br)c1)C1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000065237012 569119544 /nfs/dbraw/zinc/11/95/44/569119544.db2.gz CTCJQBIGTBVBIT-UHFFFAOYSA-N 0 0 430.350 3.694 50 0 IHAARN COc1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)cc1Cl ZINC000065237098 569119600 /nfs/dbraw/zinc/11/96/00/569119600.db2.gz MCQBZYHTKGZUKK-UHFFFAOYSA-N 0 0 447.992 3.547 50 0 IHAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl)C(C)C ZINC000036580038 569119780 /nfs/dbraw/zinc/11/97/80/569119780.db2.gz LCCQVBGVFQQFLS-WBVHZDCISA-N 0 0 425.316 3.571 50 0 IHAARN C=C1C(N2CCC(NC(=O)c3cccs3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000065239214 569120067 /nfs/dbraw/zinc/12/00/67/569120067.db2.gz GENWOBMUNRPPOD-UHFFFAOYSA-N 0 0 449.985 3.769 50 0 IHAARN C=C1C(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239347 569120352 /nfs/dbraw/zinc/12/03/52/569120352.db2.gz FNEHLXHYLYAIPQ-UHFFFAOYSA-N 0 0 443.956 3.661 50 0 IHAARN Cc1csc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc2)n1 ZINC000065240705 569120909 /nfs/dbraw/zinc/12/09/09/569120909.db2.gz OMFQEHQOXUBVMU-UHFFFAOYSA-N 0 0 428.945 3.895 50 0 IHAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(Cl)cc1Cl ZINC000036595000 569121425 /nfs/dbraw/zinc/12/14/25/569121425.db2.gz ODPUEKXGAOWSMJ-GOSISDBHSA-N 0 0 434.323 3.757 50 0 IHAARN O=S(=O)(c1cc(-c2nnc(C3CCCC3)o2)co1)N1CCN(c2ccccc2F)CC1 ZINC000065246697 569121941 /nfs/dbraw/zinc/12/19/41/569121941.db2.gz SSGLOVNSUKBRNC-UHFFFAOYSA-N 0 0 446.504 3.637 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C(C)C)o4)co3)CC2)c1C ZINC000065246604 569121960 /nfs/dbraw/zinc/12/19/60/569121960.db2.gz OTUWBONFVAQHJQ-UHFFFAOYSA-N 0 0 430.530 3.581 50 0 IHAARN CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000065242383 569122033 /nfs/dbraw/zinc/12/20/33/569122033.db2.gz JUKKPODWNCVLIR-KRWDZBQOSA-N 0 0 425.533 3.705 50 0 IHAARN CC(C)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c2cccnc21 ZINC000065242310 569122044 /nfs/dbraw/zinc/12/20/44/569122044.db2.gz GFQJNZIIRZSFFB-UHFFFAOYSA-N 0 0 432.977 3.857 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)c3c(C)nn(C)c3n2)c1 ZINC000036616100 569122711 /nfs/dbraw/zinc/12/27/11/569122711.db2.gz OACRDXOJKSNMBL-OAQYLSRUSA-N 0 0 446.555 3.994 50 0 IHAARN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3c(C)nn(C)c3n2)c1 ZINC000036616752 569122880 /nfs/dbraw/zinc/12/28/80/569122880.db2.gz YTXNUEUPHJNGNU-UHFFFAOYSA-N 0 0 430.464 3.976 50 0 IHAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)NCCn1cc(Br)cn1 ZINC000036616782 569122898 /nfs/dbraw/zinc/12/28/98/569122898.db2.gz MHUAVUFKIFOPBT-UHFFFAOYSA-N 0 0 445.365 3.806 50 0 IHAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3c(C)nn(C)c3n2)cc1 ZINC000036613244 569123766 /nfs/dbraw/zinc/12/37/66/569123766.db2.gz PPDPTWBCJFRLQC-UHFFFAOYSA-N 0 0 445.523 3.503 50 0 IHAARN COc1ccc(-c2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613527 569123830 /nfs/dbraw/zinc/12/38/30/569123830.db2.gz TXAFSQBNJGDADA-UHFFFAOYSA-N 0 0 432.528 3.575 50 0 IHAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613343 569123868 /nfs/dbraw/zinc/12/38/68/569123868.db2.gz BVQWWSQXPYNXHU-HNNXBMFYSA-N 0 0 432.528 3.584 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C[C@H](C)CC2 ZINC000036613763 569123940 /nfs/dbraw/zinc/12/39/40/569123940.db2.gz JFYNDMLYDBQILR-RBSFLKMASA-N 0 0 446.569 3.553 50 0 IHAARN COc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4cccnc4)CC3)n2)cc1OC ZINC000036613724 569123971 /nfs/dbraw/zinc/12/39/71/569123971.db2.gz HQCOOILLQHHDNG-UHFFFAOYSA-N 0 0 441.482 3.816 50 0 IHAARN COc1ccccc1N1CCN(c2nnc(-c3nnc(C4CC4)o3)c3ccccc32)CC1 ZINC000065258221 569124349 /nfs/dbraw/zinc/12/43/49/569124349.db2.gz ZCMAWLZWYDOHBG-UHFFFAOYSA-N 0 0 428.496 3.892 50 0 IHAARN COc1ccccc1CCC(=O)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065258088 569124369 /nfs/dbraw/zinc/12/43/69/569124369.db2.gz REPUAHMIMZEQQX-UHFFFAOYSA-N 0 0 447.539 3.689 50 0 IHAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734353 569127634 /nfs/dbraw/zinc/12/76/34/569127634.db2.gz VQVTWRZJEXMZHM-KRWDZBQOSA-N 0 0 434.525 3.510 50 0 IHAARN CCNc1cc(N2CCC(CCC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)ncn1 ZINC000065274049 569128280 /nfs/dbraw/zinc/12/82/80/569128280.db2.gz YAAAKAZAYIFPFO-UHFFFAOYSA-N 0 0 436.604 3.562 50 0 IHAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1ccc2c(c1)OCO2 ZINC000065272423 569128966 /nfs/dbraw/zinc/12/89/66/569128966.db2.gz GXSUQJLJRATXDR-UHFFFAOYSA-N 0 0 434.427 3.644 50 0 IHAARN COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)C3=O)nc2)c1OC ZINC000065272369 569129005 /nfs/dbraw/zinc/12/90/05/569129005.db2.gz YATXOXNOUITZPW-UHFFFAOYSA-N 0 0 432.480 3.793 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)cc2Cl)CC3)CC1 ZINC000065273448 569129485 /nfs/dbraw/zinc/12/94/85/569129485.db2.gz FTPCXCUEQCNLNF-OAHLLOKOSA-N 0 0 447.004 3.907 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC3)CC1 ZINC000065273508 569129650 /nfs/dbraw/zinc/12/96/50/569129650.db2.gz ANJNZPFOINJRNW-QGZVFWFLSA-N 0 0 426.586 3.562 50 0 IHAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC3)CC1 ZINC000065273452 569129666 /nfs/dbraw/zinc/12/96/66/569129666.db2.gz DAQXAMOSLFEPPA-QGZVFWFLSA-N 0 0 426.586 3.562 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c(C)c1 ZINC000065273635 569129884 /nfs/dbraw/zinc/12/98/84/569129884.db2.gz XFXNVEGHVBWWCM-SFHVURJKSA-N 0 0 440.613 3.808 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1F ZINC000065273645 569129904 /nfs/dbraw/zinc/12/99/04/569129904.db2.gz LNXWOAQUVZCDGS-INIZCTEOSA-N 0 0 444.576 3.639 50 0 IHAARN Cc1cc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)ccc1F ZINC000065273664 569130031 /nfs/dbraw/zinc/13/00/31/569130031.db2.gz IZJRMLMTTKZNNW-MRXNPFEDSA-N 0 0 444.576 3.639 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)cc1 ZINC000065292400 569130722 /nfs/dbraw/zinc/13/07/22/569130722.db2.gz ALTODDSAWXNNLU-UHFFFAOYSA-N 0 0 432.480 3.734 50 0 IHAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccccn1 ZINC000065307599 569132393 /nfs/dbraw/zinc/13/23/93/569132393.db2.gz RFBFFSCGUAETHD-SJLPKXTDSA-N 0 0 432.528 3.888 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccc(C)c(C)c3)nn2)CC1 ZINC000065315270 569133881 /nfs/dbraw/zinc/13/38/81/569133881.db2.gz VNEKWWQDSCMLJR-UHFFFAOYSA-N 0 0 441.601 3.567 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000065315419 569133984 /nfs/dbraw/zinc/13/39/84/569133984.db2.gz CKZCATHDAOGQAP-MRXNPFEDSA-N 0 0 439.516 3.719 50 0 IHAARN O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000036700401 569135308 /nfs/dbraw/zinc/13/53/08/569135308.db2.gz CFWVWUJLGXDRCI-XMMPIXPASA-N 0 0 428.598 3.697 50 0 IHAARN CCOc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000065315215 569135834 /nfs/dbraw/zinc/13/58/34/569135834.db2.gz JUGOKZQKOXGNGP-UHFFFAOYSA-N 0 0 449.548 3.837 50 0 IHAARN CCCn1c(SCC(=O)N[C@@H](C)CC)nc2nc(N3CCC(C)CC3)sc2c1=O ZINC000065319689 569135920 /nfs/dbraw/zinc/13/59/20/569135920.db2.gz XNAWUXRXPMTSMA-AWEZNQCLSA-N 0 0 437.635 3.506 50 0 IHAARN CC(C)n1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1cccc(F)c1 ZINC000065319964 569136058 /nfs/dbraw/zinc/13/60/58/569136058.db2.gz LDYOHNHUBHARFC-UHFFFAOYSA-N 0 0 447.561 3.904 50 0 IHAARN CCCc1nnsc1C(=O)N1CCN(c2nc3c(s2)c(Cl)ccc3OC)CC1 ZINC000036709524 569136464 /nfs/dbraw/zinc/13/64/64/569136464.db2.gz VEXAXVHHECZRST-UHFFFAOYSA-N 0 0 437.978 3.725 50 0 IHAARN O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000238817806 569136525 /nfs/dbraw/zinc/13/65/25/569136525.db2.gz BWZIWKNTAUVHJD-UHFFFAOYSA-N 0 0 445.450 3.785 50 0 IHAARN COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)c(OC)c1 ZINC000036713619 569136542 /nfs/dbraw/zinc/13/65/42/569136542.db2.gz SIZDFEYGUWIMLQ-UHFFFAOYSA-N 0 0 433.439 3.853 50 0 IHAARN CCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccc(Cl)cc3)CC1)n2C ZINC000065322169 569136602 /nfs/dbraw/zinc/13/66/02/569136602.db2.gz RMHODYUQVPVEED-UHFFFAOYSA-N 0 0 439.947 3.533 50 0 IHAARN COc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OC(F)F ZINC000036740959 569137332 /nfs/dbraw/zinc/13/73/32/569137332.db2.gz CCNQHTPCSSZLFP-GOSISDBHSA-N 0 0 444.478 3.797 50 0 IHAARN CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccsc3)c3cccs3)c2O1 ZINC000238973973 569138269 /nfs/dbraw/zinc/13/82/69/569138269.db2.gz ZRAZTSDOGIWSFC-QFIPXVFZSA-N 0 0 429.563 3.954 50 0 IHAARN C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCCC1 ZINC000007378153 569139371 /nfs/dbraw/zinc/13/93/71/569139371.db2.gz BTAZIMOYRQMMTR-INIZCTEOSA-N 0 0 427.998 3.718 50 0 IHAARN NC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000037189604 569140727 /nfs/dbraw/zinc/14/07/27/569140727.db2.gz CGBDDCGPZCYWCG-RPBOFIJWSA-N 0 0 440.547 3.857 50 0 IHAARN COc1cc(Br)c(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000170595116 569141391 /nfs/dbraw/zinc/14/13/91/569141391.db2.gz DMIQYCJWVHARJE-MRXNPFEDSA-N 0 0 448.317 3.561 50 0 IHAARN COc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)cc(Cl)c1OCC(N)=O ZINC000170596154 569141898 /nfs/dbraw/zinc/14/18/98/569141898.db2.gz JYBAEWKGBUISNJ-KKSFZXQISA-N 0 0 430.932 3.902 50 0 IHAARN CC(C)(C)OC(=O)NCc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)co1 ZINC000170602183 569143423 /nfs/dbraw/zinc/14/34/23/569143423.db2.gz BTYIJPQQFRPUBJ-AWEZNQCLSA-N 0 0 435.471 3.839 50 0 IHAARN CCOC(=O)c1csc(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000170605395 569143732 /nfs/dbraw/zinc/14/37/32/569143732.db2.gz QCGCVJDLJWMSPH-UHFFFAOYSA-N 0 0 436.493 3.738 50 0 IHAARN O=C(COc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037276434 569145392 /nfs/dbraw/zinc/14/53/92/569145392.db2.gz QDIVOZDIENNEFK-UHFFFAOYSA-N 0 0 443.547 3.781 50 0 IHAARN CC(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nc(C2CC2)no1 ZINC000170626268 569148642 /nfs/dbraw/zinc/14/86/42/569148642.db2.gz ICSPOGQOMFJUAM-MRXNPFEDSA-N 0 0 431.290 3.678 50 0 IHAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(-n2nc(C)cc2C)n1 ZINC000009761574 569149101 /nfs/dbraw/zinc/14/91/01/569149101.db2.gz ZELNCMPIGBHNRX-UHFFFAOYSA-N 0 0 434.327 3.944 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000009869633 569149367 /nfs/dbraw/zinc/14/93/67/569149367.db2.gz WILASVNWAQWWPZ-UHFFFAOYSA-N 0 0 433.487 3.986 50 0 IHAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000009883704 569150128 /nfs/dbraw/zinc/15/01/28/569150128.db2.gz OPAFMKOSOPVDET-QHCPKHFHSA-N 0 0 437.883 3.683 50 0 IHAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000071283068 569150641 /nfs/dbraw/zinc/15/06/41/569150641.db2.gz HMEBENFEERBLOO-UHFFFAOYSA-N 0 0 445.548 3.967 50 0 IHAARN O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NCCc1c[nH]c2ccccc12 ZINC000071284921 569150781 /nfs/dbraw/zinc/15/07/81/569150781.db2.gz ZTDAKBLSNPSNHW-UHFFFAOYSA-N 0 0 436.515 3.828 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)[C@@H](c3ccco3)C2)o1 ZINC000009955822 569151277 /nfs/dbraw/zinc/15/12/77/569151277.db2.gz QSSJRGRDYFIXCM-MRXNPFEDSA-N 0 0 448.504 3.819 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000010050548 569151897 /nfs/dbraw/zinc/15/18/97/569151897.db2.gz CRMNTMSRBAWZMX-UHFFFAOYSA-N 0 0 431.920 3.573 50 0 IHAARN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000010060052 569152470 /nfs/dbraw/zinc/15/24/70/569152470.db2.gz CCDVUTHTBVBLSE-UHFFFAOYSA-N 0 0 432.461 3.788 50 0 IHAARN COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2ccccc2)cc1=O ZINC000010255046 569153972 /nfs/dbraw/zinc/15/39/72/569153972.db2.gz WUXCFUNYKFXZSF-UHFFFAOYSA-N 0 0 437.521 3.746 50 0 IHAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254485 569154196 /nfs/dbraw/zinc/15/41/96/569154196.db2.gz WQTOMDZIRLWAIY-UHFFFAOYSA-N 0 0 441.553 3.724 50 0 IHAARN C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013295072 569154927 /nfs/dbraw/zinc/15/49/27/569154927.db2.gz WFAMPPWOIGMDGG-LBPRGKRZSA-N 0 0 437.456 3.803 50 0 IHAARN CCOc1ccc(C(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000013572383 569155639 /nfs/dbraw/zinc/15/56/39/569155639.db2.gz OKQQEBYUKICPHT-WBVHZDCISA-N 0 0 428.579 3.567 50 0 IHAARN Cc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1Cl ZINC000013572131 569155792 /nfs/dbraw/zinc/15/57/92/569155792.db2.gz IBQNBTXVSPVOAW-CABCVRRESA-N 0 0 448.013 3.886 50 0 IHAARN COc1cc(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc(OC)c1OC ZINC000013716537 569156800 /nfs/dbraw/zinc/15/68/00/569156800.db2.gz PWUXJQFYUORBFJ-UHFFFAOYSA-N 0 0 440.521 3.885 50 0 IHAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2F)s1 ZINC000013793377 569156994 /nfs/dbraw/zinc/15/69/94/569156994.db2.gz LGHVRQZWYKUZIQ-KRWDZBQOSA-N 0 0 447.557 3.783 50 0 IHAARN O=C(COc1ccccc1Cl)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801860 569157104 /nfs/dbraw/zinc/15/71/04/569157104.db2.gz ZZMNNCGWNJWFFN-UHFFFAOYSA-N 0 0 432.307 3.802 50 0 IHAARN CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(I)cc1 ZINC000014217231 569158192 /nfs/dbraw/zinc/15/81/92/569158192.db2.gz OWMIHRRHMRDGJX-MRXNPFEDSA-N 0 0 428.314 3.951 50 0 IHAARN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(I)cc1 ZINC000014217233 569158249 /nfs/dbraw/zinc/15/82/49/569158249.db2.gz OWMIHRRHMRDGJX-INIZCTEOSA-N 0 0 428.314 3.951 50 0 IHAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000014321437 569158607 /nfs/dbraw/zinc/15/86/07/569158607.db2.gz VBCKFQAFMSTYFN-UHFFFAOYSA-N 0 0 445.441 3.585 50 0 IHAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000014604188 569159499 /nfs/dbraw/zinc/15/94/99/569159499.db2.gz FVRKYXMITASBTN-UHFFFAOYSA-N 0 0 449.882 3.927 50 0 IHAARN CC(=O)Nc1ccc(OC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000014628038 569159594 /nfs/dbraw/zinc/15/95/94/569159594.db2.gz XQQSKRJUFGSHMC-UHFFFAOYSA-N 0 0 438.505 3.998 50 0 IHAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Cc4nc(C5CCCCCC5)no4)C3)nc2n1 ZINC000089595924 569159723 /nfs/dbraw/zinc/15/97/23/569159723.db2.gz BEZFJCHCZAMCBF-QGZVFWFLSA-N 0 0 437.548 3.657 50 0 IHAARN COc1ccc(-c2nc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)cs2)cc1 ZINC000089642949 569160349 /nfs/dbraw/zinc/16/03/49/569160349.db2.gz CWFAZULDNRFEJI-AWEZNQCLSA-N 0 0 439.501 3.504 50 0 IHAARN COc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c1 ZINC000016839981 569163158 /nfs/dbraw/zinc/16/31/58/569163158.db2.gz XKQFBOPXVPVNAH-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)c(C)c1 ZINC000016841867 569163343 /nfs/dbraw/zinc/16/33/43/569163343.db2.gz QDIPQGQIEGMRKT-UHFFFAOYSA-N 0 0 437.500 3.880 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000016842208 569163449 /nfs/dbraw/zinc/16/34/49/569163449.db2.gz CUGKDSXDFUOFHZ-UHFFFAOYSA-N 0 0 447.520 3.501 50 0 IHAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000016843697 569163725 /nfs/dbraw/zinc/16/37/25/569163725.db2.gz BXKNOHWYUQHVES-UHFFFAOYSA-N 0 0 446.935 3.570 50 0 IHAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)n1 ZINC000016847734 569164097 /nfs/dbraw/zinc/16/40/97/569164097.db2.gz CIVHLHOXOLROQL-UHFFFAOYSA-N 0 0 439.479 3.505 50 0 IHAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000016847807 569164235 /nfs/dbraw/zinc/16/42/35/569164235.db2.gz URBQRPJGVWGCOU-SECBINFHSA-N 0 0 426.372 3.541 50 0 IHAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000016847810 569164279 /nfs/dbraw/zinc/16/42/79/569164279.db2.gz URBQRPJGVWGCOU-VIFPVBQESA-N 0 0 426.372 3.541 50 0 IHAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1 ZINC000016890550 569165485 /nfs/dbraw/zinc/16/54/85/569165485.db2.gz DIMGGXZRYQSVCI-UHFFFAOYSA-N 0 0 426.498 3.579 50 0 IHAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1 ZINC000089873173 569166331 /nfs/dbraw/zinc/16/63/31/569166331.db2.gz TXIJDOHWZPRMAP-WIYYLYMNSA-N 0 0 448.485 3.854 50 0 IHAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)c1cccnc1 ZINC000089910067 569167436 /nfs/dbraw/zinc/16/74/36/569167436.db2.gz KAZYHXBWMUIHFW-GFCCVEGCSA-N 0 0 441.347 3.839 50 0 IHAARN CC(=O)N(c1nc(COc2cccc(F)c2I)cs1)C1CC1 ZINC000089930394 569168002 /nfs/dbraw/zinc/16/80/02/569168002.db2.gz YIXBXKRZDWVZDF-UHFFFAOYSA-N 0 0 432.258 3.981 50 0 IHAARN Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000016975951 569168840 /nfs/dbraw/zinc/16/88/40/569168840.db2.gz OOKRPXMXCZSIAH-UHFFFAOYSA-N 0 0 447.601 3.937 50 0 IHAARN CCCn1cc(CN2CCCN(C(=O)Nc3ccc(Br)cc3F)CC2)cn1 ZINC000089960716 569169148 /nfs/dbraw/zinc/16/91/48/569169148.db2.gz WSLPBVJRFPUXNW-UHFFFAOYSA-N 0 0 438.345 3.935 50 0 IHAARN Cc1c2nc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)sc2ccc1Cl ZINC000016991274 569169567 /nfs/dbraw/zinc/16/95/67/569169567.db2.gz HFGWOMWZXZSOOA-UHFFFAOYSA-N 0 0 429.929 3.992 50 0 IHAARN COc1ccc(CCNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1OC ZINC000016991861 569169662 /nfs/dbraw/zinc/16/96/62/569169662.db2.gz IZAAMRQCBASQFO-UHFFFAOYSA-N 0 0 444.582 3.685 50 0 IHAARN Cc1ccc(CNC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000017041353 569171529 /nfs/dbraw/zinc/17/15/29/569171529.db2.gz IZNKZTADZPVFST-UHFFFAOYSA-N 0 0 439.928 3.891 50 0 IHAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 ZINC000017056858 569171970 /nfs/dbraw/zinc/17/19/70/569171970.db2.gz LTPSFSITJKQBID-JWQCQUIFSA-N 0 0 427.548 3.684 50 0 IHAARN CCOC(=O)CCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@@H]1C ZINC000037357381 569173183 /nfs/dbraw/zinc/17/31/83/569173183.db2.gz CDSQHSUYHJMMQZ-INIZCTEOSA-N 0 0 446.935 3.611 50 0 IHAARN Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000017144381 569174590 /nfs/dbraw/zinc/17/45/90/569174590.db2.gz ZCHLILCOYMQADN-UHFFFAOYSA-N 0 0 430.942 3.868 50 0 IHAARN C[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCCC2 ZINC000017286971 569177094 /nfs/dbraw/zinc/17/70/94/569177094.db2.gz HIWVCMGEOYDKOA-KRWDZBQOSA-N 0 0 446.517 3.979 50 0 IHAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092629 569178792 /nfs/dbraw/zinc/17/87/92/569178792.db2.gz NGPYAHHYZIPJHJ-IBGZPJMESA-N 0 0 443.521 3.635 50 0 biogenic IHAARN CCCCN1CC(=O)N2[C@H](c3cccc(OC)c3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002104083 569180253 /nfs/dbraw/zinc/18/02/53/569180253.db2.gz CITJSBWKZIMZQM-GBXCKJPGSA-N 0 0 447.535 3.670 50 0 biogenic IHAARN Cc1ccccc1[C@@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@H](C)CO1 ZINC000170640520 569181113 /nfs/dbraw/zinc/18/11/13/569181113.db2.gz CMGVEGHGRCXSIE-YJYMSZOUSA-N 0 0 447.318 3.886 50 0 IHAARN CCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 ZINC000002107586 569181265 /nfs/dbraw/zinc/18/12/65/569181265.db2.gz AUOVLTAQTPUHOW-GMWOSMDTSA-N 0 0 445.537 3.633 50 0 biogenic IHAARN Cc1ccccc1[C@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@@H](C)CO1 ZINC000170640525 569181373 /nfs/dbraw/zinc/18/13/73/569181373.db2.gz CMGVEGHGRCXSIE-ORAYPTAESA-N 0 0 447.318 3.886 50 0 IHAARN CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)c1nc2ccccc2[nH]1 ZINC000252481605 569186260 /nfs/dbraw/zinc/18/62/60/569186260.db2.gz CPAFCIQBHFBLLZ-AUUYWEPGSA-N 0 0 448.502 3.835 50 0 IHAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002147467 569187012 /nfs/dbraw/zinc/18/70/12/569187012.db2.gz ZSYZYOUXIURLRZ-CYBMUJFWSA-N 0 0 449.912 3.590 50 0 IHAARN CCc1ccc(N2CCN([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000252499610 569188065 /nfs/dbraw/zinc/18/80/65/569188065.db2.gz SCSFYNABGWSQNG-ZEQRLZLVSA-N 0 0 427.614 3.661 50 0 IHAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H](O)c1ccccc1 ZINC000252536361 569189929 /nfs/dbraw/zinc/18/99/29/569189929.db2.gz IGQUPIFQSDQYJO-CZAAIQMYSA-N 0 0 445.357 3.676 50 0 IHAARN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000252586504 569191657 /nfs/dbraw/zinc/19/16/57/569191657.db2.gz QOJMGONMYUKNHN-YLJYHZDGSA-N 0 0 429.561 3.615 50 0 IHAARN CCC[C@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398045 569193932 /nfs/dbraw/zinc/19/39/32/569193932.db2.gz SLNJCYUNZUVNQK-HSZRJFAPSA-N 0 0 438.547 3.556 50 0 IHAARN Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(C(=O)NC(C)C)cc3)c2=O)cc1C ZINC000037398914 569194204 /nfs/dbraw/zinc/19/42/04/569194204.db2.gz UESLFXLIPGSFKW-UHFFFAOYSA-N 0 0 441.531 3.956 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C(=O)c3ccco3)C3CC3)cc2)cc1 ZINC000037400626 569194932 /nfs/dbraw/zinc/19/49/32/569194932.db2.gz SWDGZWUROLPITC-UHFFFAOYSA-N 0 0 427.478 3.861 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000037407990 569195235 /nfs/dbraw/zinc/19/52/35/569195235.db2.gz RQJJAKMMXJZCKL-UTKZUKDTSA-N 0 0 432.973 3.935 50 0 IHAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000037422545 569195600 /nfs/dbraw/zinc/19/56/00/569195600.db2.gz ZUSPMNWZQVMXRQ-MRXNPFEDSA-N 0 0 441.908 3.639 50 0 IHAARN COCCN(CCC(=O)NCC(C)C)C(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000037426554 569195684 /nfs/dbraw/zinc/19/56/84/569195684.db2.gz GRXBCYLBINCGPL-UHFFFAOYSA-N 0 0 438.981 3.791 50 0 IHAARN O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1 ZINC000037426324 569195842 /nfs/dbraw/zinc/19/58/42/569195842.db2.gz KYZNNTCPEHBOHK-HUUCEWRRSA-N 0 0 448.976 3.688 50 0 IHAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)NC(C)C)C2)cc1OC ZINC000037441782 569196959 /nfs/dbraw/zinc/19/69/59/569196959.db2.gz FWRYSMOJCDSASJ-IBGZPJMESA-N 0 0 429.492 3.956 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)C[C@H]1CSCN12 ZINC000037447585 569197188 /nfs/dbraw/zinc/19/71/88/569197188.db2.gz RNPJOVSWLODOSK-CECAUBDESA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CC[C@H](C)NC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(C(C)C)c3)cc21 ZINC000037519839 569198305 /nfs/dbraw/zinc/19/83/05/569198305.db2.gz KQEOXYHLNCWCIW-KRWDZBQOSA-N 0 0 438.524 3.712 50 0 IHAARN O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037524011 569198349 /nfs/dbraw/zinc/19/83/49/569198349.db2.gz YOXLGNMIVJKSLY-UHFFFAOYSA-N 0 0 439.462 3.887 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Br)c2)[C@H](C)C1=O ZINC000037522594 569198451 /nfs/dbraw/zinc/19/84/51/569198451.db2.gz KRMCFQFTECHEQY-GFCCVEGCSA-N 0 0 437.721 3.989 50 0 IHAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000037525362 569198997 /nfs/dbraw/zinc/19/89/97/569198997.db2.gz SASMMTARBLGBPH-OAQYLSRUSA-N 0 0 436.556 3.694 50 0 IHAARN O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037525393 569199013 /nfs/dbraw/zinc/19/90/13/569199013.db2.gz PAJVBZAYQACHPQ-UHFFFAOYSA-N 0 0 448.386 3.576 50 0 IHAARN COCCNC(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(OC)cc1 ZINC000037547031 569199912 /nfs/dbraw/zinc/19/99/12/569199912.db2.gz ODOCXKBVRNYBPV-UHFFFAOYSA-N 0 0 427.476 3.816 50 0 IHAARN COc1ccc(Oc2c(CCC(=O)N3CCOCC3)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547354 569200090 /nfs/dbraw/zinc/20/00/90/569200090.db2.gz CSSIDDCOTKMFRQ-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1ccc(Oc2cc(N3CCN(C(=O)c4cccc(OC)c4)[C@H](C)C3)ncn2)cc1 ZINC000037623602 569203277 /nfs/dbraw/zinc/20/32/77/569203277.db2.gz OSAKQTURWUPHQP-QGZVFWFLSA-N 0 0 434.496 3.637 50 0 IHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000252671399 569210031 /nfs/dbraw/zinc/21/00/31/569210031.db2.gz NIXBYPLLRWVKOV-QFIPXVFZSA-N 0 0 432.545 3.532 50 0 IHAARN COc1cccc(N(Cc2ccc(F)cc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000002694081 569212645 /nfs/dbraw/zinc/21/26/45/569212645.db2.gz PZBOWRZTCMVEPE-MSOLQXFVSA-N 0 0 440.949 3.763 50 0 IHAARN COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl ZINC000002257802 569215368 /nfs/dbraw/zinc/21/53/68/569215368.db2.gz PTMJCYVJVQEGHS-BONVTDFDSA-N 0 0 429.325 3.832 50 0 IHAARN Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C2=O)cc1C ZINC000002264490 569216113 /nfs/dbraw/zinc/21/61/13/569216113.db2.gz VZPBVPGWLMJGJU-GOSISDBHSA-N 0 0 425.794 3.906 50 0 IHAARN O=C(COc1ccccc1)N1CCC2(C[C@H]2C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000012190924 569256621 /nfs/dbraw/zinc/25/66/21/569256621.db2.gz HXLQPYGLPMNDCY-QFIPXVFZSA-N 0 0 431.536 3.534 50 0 IHAARN Cc1csc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000253387992 569264101 /nfs/dbraw/zinc/26/41/01/569264101.db2.gz BTYPBXFJPWPCCE-HDJSIYSDSA-N 0 0 427.979 3.828 50 0 IHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000253394458 569264431 /nfs/dbraw/zinc/26/44/31/569264431.db2.gz ACYAPTBUROUIIL-NTLWEQJWSA-N 0 0 430.549 3.526 50 0 biogenic IHAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000253394468 569264472 /nfs/dbraw/zinc/26/44/72/569264472.db2.gz ACYAPTBUROUIIL-UGNRZPKXSA-N 0 0 430.549 3.526 50 0 biogenic IHAARN COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253411853 569265858 /nfs/dbraw/zinc/26/58/58/569265858.db2.gz PEUYEDCSRIBREJ-OAQYLSRUSA-N 0 0 446.503 3.987 50 0 biogenic IHAARN COc1cc(-c2nc3ccccc3c(=O)n2NCc2cccc(F)c2)cc(OC)c1OC ZINC000027531400 569266070 /nfs/dbraw/zinc/26/60/70/569266070.db2.gz APUSHRMOSOAVNC-UHFFFAOYSA-N 0 0 435.455 3.972 50 0 IHAARN Cc1sc(=O)n(CCC(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c1C ZINC000253416492 569266366 /nfs/dbraw/zinc/26/63/66/569266366.db2.gz FUNSBEBOBLNIOH-UHFFFAOYSA-N 0 0 449.548 3.988 50 0 IHAARN CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc4ccccc43)CCCC2)no1 ZINC000253428187 569267531 /nfs/dbraw/zinc/26/75/31/569267531.db2.gz IEGHXERAUPTSPX-UHFFFAOYSA-N 0 0 428.558 3.812 50 0 IHAARN CCN(CC)C(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 ZINC000002318229 569272555 /nfs/dbraw/zinc/27/25/55/569272555.db2.gz YGNIDYWVYVRZJR-ZHZULCJRSA-N 0 0 435.524 3.835 50 0 IHAARN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O ZINC000002331059 569274570 /nfs/dbraw/zinc/27/45/70/569274570.db2.gz NKBFIPOZZNNWSJ-RMUDUWAUSA-N 0 0 438.568 3.775 50 0 IHAARN CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000002333081 569274697 /nfs/dbraw/zinc/27/46/97/569274697.db2.gz VCNQYLMZFJVUCI-FQEVSTJZSA-N 0 0 441.450 3.594 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3ccc(=O)oc3c2)cc1 ZINC000002346668 569281110 /nfs/dbraw/zinc/28/11/10/569281110.db2.gz RNGNBLFXOVPAKJ-UHFFFAOYSA-N 0 0 429.494 3.546 50 0 IHAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000253623748 569289313 /nfs/dbraw/zinc/28/93/13/569289313.db2.gz JMTFYPAHXKIFAX-CYBMUJFWSA-N 0 0 444.528 3.587 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SC/C=C/c1ccccc1 ZINC000008861772 569291613 /nfs/dbraw/zinc/29/16/13/569291613.db2.gz ONDGSDGURADDJD-RMKNXTFCSA-N 0 0 443.594 3.883 50 0 IHAARN O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3ccccc3Br)nn12 ZINC000002387077 569295112 /nfs/dbraw/zinc/29/51/12/569295112.db2.gz HLZBKQBRKLAYRD-YVLHZVERSA-N 0 0 438.306 3.556 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000002398176 569298604 /nfs/dbraw/zinc/29/86/04/569298604.db2.gz SHOXEDHKNJWZKC-VIFPVBQESA-N 0 0 436.317 3.936 50 0 IHAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000002398633 569298665 /nfs/dbraw/zinc/29/86/65/569298665.db2.gz KJIZYRGTUUBWIE-VIFPVBQESA-N 0 0 436.317 3.936 50 0 IHAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000002402274 569299766 /nfs/dbraw/zinc/29/97/66/569299766.db2.gz CKNGXGZNVBBRSW-OPAMFIHVSA-N 0 0 435.476 3.843 50 0 IHAARN COc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc(OC)c1Br ZINC000010455423 569300156 /nfs/dbraw/zinc/30/01/56/569300156.db2.gz RYSSJAKXPFKQJR-UHFFFAOYSA-N 0 0 433.302 3.523 50 0 IHAARN COc1ccc(Cn2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002412220 569301013 /nfs/dbraw/zinc/30/10/13/569301013.db2.gz GJWIEJUWLJGFFG-QGZVFWFLSA-N 0 0 432.480 3.559 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000002413351 569301185 /nfs/dbraw/zinc/30/11/85/569301185.db2.gz ASSVVNNWGICOBX-INIZCTEOSA-N 0 0 437.340 3.783 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000002413100 569301199 /nfs/dbraw/zinc/30/11/99/569301199.db2.gz MPFZGPWAVMEACJ-QGZVFWFLSA-N 0 0 445.319 3.650 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000002441271 569304268 /nfs/dbraw/zinc/30/42/68/569304268.db2.gz AUQLWMHLSAJIPP-UHFFFAOYSA-N 0 0 448.508 3.513 50 0 IHAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NC(C)C)cnc2n1Cc1ccccc1 ZINC000014543778 569304799 /nfs/dbraw/zinc/30/47/99/569304799.db2.gz XJDXZSJRQDVJSF-IBGZPJMESA-N 0 0 436.512 3.809 50 0 IHAARN Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1Cl ZINC000012998593 569306218 /nfs/dbraw/zinc/30/62/18/569306218.db2.gz ZQEWETRFEVNLFJ-UHFFFAOYSA-N 0 0 427.976 3.981 50 0 IHAARN COc1cc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc(OC)c1OC ZINC000013009553 569306646 /nfs/dbraw/zinc/30/66/46/569306646.db2.gz NXCMFMDJQMPPPG-UHFFFAOYSA-N 0 0 446.467 3.684 50 0 IHAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000013016156 569307156 /nfs/dbraw/zinc/30/71/56/569307156.db2.gz XJHMRTSAFUHTHZ-UHFFFAOYSA-N 0 0 449.431 3.683 50 0 IHAARN CCOC(=O)C1=C(NC(=O)COc2ccccc2OCC)Nc2ccccc2N=C1CC ZINC000013037855 569307587 /nfs/dbraw/zinc/30/75/87/569307587.db2.gz WACPDNDILKFWGC-UHFFFAOYSA-N 0 0 437.496 3.963 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096364 569309602 /nfs/dbraw/zinc/30/96/02/569309602.db2.gz VVMOMEBYGVQMAO-UZLBHIALSA-N 0 0 444.553 3.957 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000013108623 569310259 /nfs/dbraw/zinc/31/02/59/569310259.db2.gz VSBDZOHEYWERIF-UHFFFAOYSA-N 0 0 446.357 3.535 50 0 IHAARN Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000013148310 569312033 /nfs/dbraw/zinc/31/20/33/569312033.db2.gz ZBBZKCFWOGFPSK-UHFFFAOYSA-N 0 0 439.537 3.610 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O ZINC000013165187 569312497 /nfs/dbraw/zinc/31/24/97/569312497.db2.gz LAFMZWMMAVORGX-ATIYNZHBSA-N 0 0 433.552 3.890 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164640 569312534 /nfs/dbraw/zinc/31/25/34/569312534.db2.gz UWQICYWVOSCHTG-SFHVURJKSA-N 0 0 436.537 3.535 50 0 IHAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccccc4F)C3)n2)cc1OC ZINC000013367165 569314393 /nfs/dbraw/zinc/31/43/93/569314393.db2.gz JGAXUAXJLXPTBM-MRXNPFEDSA-N 0 0 440.475 3.744 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000013370281 569314952 /nfs/dbraw/zinc/31/49/52/569314952.db2.gz JJWCOVXEBBLKCZ-UHFFFAOYSA-N 0 0 446.598 3.827 50 0 IHAARN COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000007957954 569316394 /nfs/dbraw/zinc/31/63/94/569316394.db2.gz ZCAWKILYWNFUIJ-LJQANCHMSA-N 0 0 425.529 3.649 50 0 IHAARN COC(=O)[C@@]1(N(Cc2ccccc2)C(=O)Cc2nc(-c3ccsc3)oc2C)CCOC1 ZINC000328589929 569316801 /nfs/dbraw/zinc/31/68/01/569316801.db2.gz SZKXZVAESVQHDR-HSZRJFAPSA-N 0 0 440.521 3.615 50 0 IHAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000328594144 569317611 /nfs/dbraw/zinc/31/76/11/569317611.db2.gz UZXMTNSGIACXOZ-GFCCVEGCSA-N 0 0 429.342 3.634 50 0 IHAARN Cc1c(S(=O)(=O)N(C)c2ccc(Br)cn2)cnn1-c1ccc(Cl)cc1 ZINC000328594219 569317655 /nfs/dbraw/zinc/31/76/55/569317655.db2.gz ZMWPTOVUXCMEQX-UHFFFAOYSA-N 0 0 441.738 3.817 50 0 IHAARN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000078809083 569319208 /nfs/dbraw/zinc/31/92/08/569319208.db2.gz NLUWLBYATRUEGG-IBGZPJMESA-N 0 0 439.537 3.740 50 0 IHAARN Cn1cccc1[C@@H](O)CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000078931140 569320243 /nfs/dbraw/zinc/32/02/43/569320243.db2.gz RRGUKCGQPPYUJY-FQEVSTJZSA-N 0 0 449.580 3.675 50 0 IHAARN C[C@H](NC(=O)C1CCCCC1)C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1 ZINC000078988982 569321483 /nfs/dbraw/zinc/32/14/83/569321483.db2.gz NRZLEFUVUDIMGZ-HNNXBMFYSA-N 0 0 448.361 3.822 50 0 IHAARN COc1ccc(OC)c(C(F)(F)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000079013080 569321826 /nfs/dbraw/zinc/32/18/26/569321826.db2.gz LUXRADQJMOIRTA-UHFFFAOYSA-N 0 0 432.467 3.525 50 0 IHAARN CS(=O)(=O)NCC[C@@H]1CCCCN1c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000079017456 569322096 /nfs/dbraw/zinc/32/20/96/569322096.db2.gz SEPCSIFHBSIMMS-INIZCTEOSA-N 0 0 434.562 3.796 50 0 IHAARN Cc1cc(C)n2nc(CC(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cc3)nc2n1 ZINC000079050873 569323327 /nfs/dbraw/zinc/32/33/27/569323327.db2.gz OMXFQWPNBQJMNM-UHFFFAOYSA-N 0 0 439.523 3.760 50 0 IHAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 ZINC000079074244 569324703 /nfs/dbraw/zinc/32/47/03/569324703.db2.gz ABTYPZBWCWVRPU-JXFKEZNVSA-N 0 0 427.917 3.671 50 0 IHAARN CC(C)[C@H](NC(=O)CS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000079111574 569326231 /nfs/dbraw/zinc/32/62/31/569326231.db2.gz OXZGJRIJGROQDN-NRFANRHFSA-N 0 0 437.945 3.789 50 0 IHAARN COC(=O)c1ccc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)cc1 ZINC000079189716 569327958 /nfs/dbraw/zinc/32/79/58/569327958.db2.gz UHFZHLOXLYOFEV-SIKLNZKXSA-N 0 0 446.411 3.906 50 0 biogenic IHAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)n1 ZINC000079481901 569330837 /nfs/dbraw/zinc/33/08/37/569330837.db2.gz VBKXQFIDUSBQRA-UHFFFAOYSA-N 0 0 432.527 3.793 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC ZINC000002463325 569331798 /nfs/dbraw/zinc/33/17/98/569331798.db2.gz LZDIDLGNXREJNR-IFXJQAMLSA-N 0 0 432.542 3.942 50 0 IHAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1cccc(C(C)=O)c1)C(F)(F)F ZINC000020032601 569332424 /nfs/dbraw/zinc/33/24/24/569332424.db2.gz QELAHHQGBBGHLL-HXUWFJFHSA-N 0 0 438.402 3.561 50 0 IHAARN CCc1ccc(C2=NN(C(=O)Cc3ccc(OC)c(OC)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000020035435 569332654 /nfs/dbraw/zinc/33/26/54/569332654.db2.gz KDWKDHXFHGZXBU-NRFANRHFSA-N 0 0 436.430 3.696 50 0 IHAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC[C@@H](C)C2)C3=O)cc1 ZINC000020038469 569332687 /nfs/dbraw/zinc/33/26/87/569332687.db2.gz ZQJFOQBVAWPLRO-OSPHWJPCSA-N 0 0 437.565 3.664 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(F)cc3)cc12 ZINC000020104691 569334211 /nfs/dbraw/zinc/33/42/11/569334211.db2.gz TXAWAWZZWXTAMN-UHFFFAOYSA-N 0 0 436.487 3.876 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1 ZINC000020137288 569335906 /nfs/dbraw/zinc/33/59/06/569335906.db2.gz QOKOAFINIZXFSY-UHFFFAOYSA-N 0 0 438.752 3.975 50 0 IHAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCc2ccccc2)c1 ZINC000020152517 569353439 /nfs/dbraw/zinc/35/34/39/569353439.db2.gz HBTVETRUGOIWBU-XMMPIXPASA-N 0 0 430.504 3.760 50 0 biogenic IHAARN CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)no1 ZINC000390826548 569353816 /nfs/dbraw/zinc/35/38/16/569353816.db2.gz AHYKQOREDMGBTK-UHFFFAOYSA-N 0 0 435.406 3.871 50 0 IHAARN O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cccc(Cl)c1Cl ZINC000390828887 569354044 /nfs/dbraw/zinc/35/40/44/569354044.db2.gz VCIXTYOBXQWWJD-UHFFFAOYSA-N 0 0 435.296 3.793 50 0 IHAARN CN1c2ccccc2N(C2CCN(C(=O)c3cc4ccccc4s3)CC2)S1(=O)=O ZINC000390829792 569354168 /nfs/dbraw/zinc/35/41/68/569354168.db2.gz GQJTWMRWOHJSSJ-UHFFFAOYSA-N 0 0 427.551 3.707 50 0 IHAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 ZINC000390831430 569354434 /nfs/dbraw/zinc/35/44/34/569354434.db2.gz RUIXRCHOVMMOGD-IBGZPJMESA-N 0 0 432.548 3.531 50 0 IHAARN COC(CNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2)OC ZINC000020179834 569354925 /nfs/dbraw/zinc/35/49/25/569354925.db2.gz PUCMSWQWYNIXOT-ZDLGFXPLSA-N 0 0 432.929 3.798 50 0 IHAARN COc1cc2c(cc(C(=O)N[C@H](C)C(=O)Nc3ccc(OC)c(Cl)c3)n2C)c(OC)c1 ZINC000094992912 569355740 /nfs/dbraw/zinc/35/57/40/569355740.db2.gz RYDLRSMAIGRWCO-GFCCVEGCSA-N 0 0 445.903 3.615 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214414 569356540 /nfs/dbraw/zinc/35/65/40/569356540.db2.gz GDBJWOTYNZCTBV-XMMPIXPASA-N 0 0 449.551 3.703 50 0 IHAARN CN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)C1CCCCC1 ZINC000020215778 569356654 /nfs/dbraw/zinc/35/66/54/569356654.db2.gz RXNYULYWGUQDGG-MQSUGXTHSA-N 0 0 428.532 3.670 50 0 IHAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308235 569359452 /nfs/dbraw/zinc/35/94/52/569359452.db2.gz JWJUOKZQQZNWDY-OAQYLSRUSA-N 0 0 438.911 3.632 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 ZINC000020325994 569360414 /nfs/dbraw/zinc/36/04/14/569360414.db2.gz PLZCZTLKVFYUBX-HXUWFJFHSA-N 0 0 445.566 3.749 50 0 IHAARN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095351582 569362000 /nfs/dbraw/zinc/36/20/00/569362000.db2.gz HAWGVTQFQXRSQX-LJQANCHMSA-N 0 0 441.881 3.649 50 0 IHAARN CCOc1ccccc1CNC(=O)Cn1nc(CC)n2c3cc(CC)sc3cc2c1=O ZINC000020384422 569362871 /nfs/dbraw/zinc/36/28/71/569362871.db2.gz UKQCXGWETZAJIM-UHFFFAOYSA-N 0 0 438.553 3.551 50 0 IHAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(Br)cc1O ZINC000095381831 569363259 /nfs/dbraw/zinc/36/32/59/569363259.db2.gz VGWDFXACJVBKKS-CWTRNNRKSA-N 0 0 433.302 3.909 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC(c2nncn2C(C)C)CC1 ZINC000095394531 569363554 /nfs/dbraw/zinc/36/35/54/569363554.db2.gz DBIAFCDPAVINDR-UHFFFAOYSA-N 0 0 435.576 3.788 50 0 IHAARN COc1ccccc1/C=C/S(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020405722 569363793 /nfs/dbraw/zinc/36/37/93/569363793.db2.gz OBYNLURSRPYWME-RMKNXTFCSA-N 0 0 435.855 3.765 50 0 IHAARN COc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(C)cc3Br)n2)cc1 ZINC000020414505 569364304 /nfs/dbraw/zinc/36/43/04/569364304.db2.gz FDGQBNNRKWIDLZ-UHFFFAOYSA-N 0 0 431.290 3.891 50 0 IHAARN Cc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417448 569364911 /nfs/dbraw/zinc/36/49/11/569364911.db2.gz CTULSDPCYYOOSQ-UHFFFAOYSA-N 0 0 440.425 3.919 50 0 IHAARN Cc1c2cnn(CC(=O)NCc3ccccc3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417636 569365070 /nfs/dbraw/zinc/36/50/70/569365070.db2.gz SKJFMBDFNULUTQ-UHFFFAOYSA-N 0 0 434.927 3.833 50 0 IHAARN Cc1cc(C)cc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)c1 ZINC000020418550 569365230 /nfs/dbraw/zinc/36/52/30/569365230.db2.gz WSFIYAHWGBVMCM-UHFFFAOYSA-N 0 0 437.584 3.993 50 0 IHAARN CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000095415934 569365294 /nfs/dbraw/zinc/36/52/94/569365294.db2.gz UGWRTGMLPGKKNX-NEPJUHHUSA-N 0 0 447.395 3.502 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC000095426895 569366019 /nfs/dbraw/zinc/36/60/19/569366019.db2.gz IRAIEGFTUPDLTE-LBPRGKRZSA-N 0 0 438.937 3.912 50 0 IHAARN COc1ccc(OC)c(-c2csc(NC(=O)CN(CCc3ccccc3)C(C)=O)n2)c1 ZINC000095445384 569367206 /nfs/dbraw/zinc/36/72/06/569367206.db2.gz FGSFTNRYAUIZEU-UHFFFAOYSA-N 0 0 439.537 3.857 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@@H]1CCSC1 ZINC000095446683 569367334 /nfs/dbraw/zinc/36/73/34/569367334.db2.gz YUOVSKVBIIHUEM-NVXWUHKLSA-N 0 0 435.640 3.941 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095454150 569368237 /nfs/dbraw/zinc/36/82/37/569368237.db2.gz LOXKOBIOQGWFER-OFNKIYASSA-N 0 0 428.916 3.790 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1cc(Cl)cnc1Br ZINC000095460182 569369672 /nfs/dbraw/zinc/36/96/72/569369672.db2.gz SFMRVGBJOYYAQK-UHFFFAOYSA-N 0 0 447.116 3.627 50 0 IHAARN CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)[C@H]2CCCc3cccnc32)cc1 ZINC000095462413 569370132 /nfs/dbraw/zinc/37/01/32/569370132.db2.gz SCUUTPNQOYOCLD-KRWDZBQOSA-N 0 0 426.460 3.708 50 0 IHAARN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000095463272 569370336 /nfs/dbraw/zinc/37/03/36/569370336.db2.gz OZLLYWAZUMVJOK-QAPCUYQASA-N 0 0 427.372 3.759 50 0 IHAARN O=S(=O)(c1sccc1Br)N1CCC[C@H](n2nccc2C(F)(F)F)C1 ZINC000095466072 569370788 /nfs/dbraw/zinc/37/07/88/569370788.db2.gz CFMFECXIOKEPRV-VIFPVBQESA-N 0 0 444.298 3.752 50 0 IHAARN CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1OC ZINC000095465522 569370826 /nfs/dbraw/zinc/37/08/26/569370826.db2.gz LRPYGPUXBLVRIR-HNNXBMFYSA-N 0 0 446.931 3.844 50 0 IHAARN COc1ccc([C@@H](NC(=O)CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 ZINC000095466605 569370899 /nfs/dbraw/zinc/37/08/99/569370899.db2.gz ULWVTNJUGLLVNK-VXKWHMMOSA-N 0 0 437.544 3.940 50 0 IHAARN Cc1cc(C)nc(NCc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)c2)n1 ZINC000095467414 569371053 /nfs/dbraw/zinc/37/10/53/569371053.db2.gz JWXXUQOTCLTMHB-MRXNPFEDSA-N 0 0 431.496 3.527 50 0 IHAARN CC(C)C[C@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000095469276 569371530 /nfs/dbraw/zinc/37/15/30/569371530.db2.gz RAXWVYSAZPSWQW-SFHVURJKSA-N 0 0 438.536 4.000 50 0 IHAARN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1I ZINC000095471615 569372000 /nfs/dbraw/zinc/37/20/00/569372000.db2.gz ZJEZRQSWYQNAOH-UHFFFAOYSA-N 0 0 439.640 3.925 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)c3cc(-c4ccccc4Cl)nn3C)[nH]2)cc1 ZINC000095477278 569373241 /nfs/dbraw/zinc/37/32/41/569373241.db2.gz AELSMFFRAXPJLN-UHFFFAOYSA-N 0 0 436.903 3.905 50 0 IHAARN COc1ccc([C@H]2[C@@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 ZINC000095478412 569373531 /nfs/dbraw/zinc/37/35/31/569373531.db2.gz OYZDWPYZUCVBHO-ZEQRLZLVSA-N 0 0 428.488 3.605 50 0 IHAARN Cc1nn(C)c(C)c1-c1cc(C(=O)NCCn2ccc3ccc(Br)cc32)[nH]n1 ZINC000095479793 569373831 /nfs/dbraw/zinc/37/38/31/569373831.db2.gz KVLYVKUPBNBKGU-UHFFFAOYSA-N 0 0 441.333 3.574 50 0 IHAARN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482289 569374302 /nfs/dbraw/zinc/37/43/02/569374302.db2.gz JDNAZPCUFGPLGB-KRWDZBQOSA-N 0 0 446.301 3.982 50 0 IHAARN Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)C2)cc1 ZINC000095942690 569375514 /nfs/dbraw/zinc/37/55/14/569375514.db2.gz WXRVQOZNNTVUPN-FQEVSTJZSA-N 0 0 433.549 3.811 50 0 IHAARN O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 ZINC000095946360 569376068 /nfs/dbraw/zinc/37/60/68/569376068.db2.gz RFDDEURCWZQTDV-UHFFFAOYSA-N 0 0 437.721 3.604 50 0 IHAARN COc1ccc(OCCN2CCN([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000095947597 569376442 /nfs/dbraw/zinc/37/64/42/569376442.db2.gz QNGPHFRDHJOEGY-SFHVURJKSA-N 0 0 440.519 3.950 50 0 IHAARN O[C@@H](CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21)c1ccco1 ZINC000095949195 569376552 /nfs/dbraw/zinc/37/65/52/569376552.db2.gz URZRNMFQQSJAAI-SFHVURJKSA-N 0 0 436.537 3.929 50 0 IHAARN C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000095972133 569377523 /nfs/dbraw/zinc/37/75/23/569377523.db2.gz BOPIVHZRDNIXGN-SBUREZEXSA-N 0 0 428.960 3.750 50 0 IHAARN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095989116 569378210 /nfs/dbraw/zinc/37/82/10/569378210.db2.gz IENNALOZXIBXFD-IERDGZPVSA-N 0 0 434.943 3.946 50 0 IHAARN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000095997632 569378950 /nfs/dbraw/zinc/37/89/50/569378950.db2.gz SSSUOPGVSHLCBU-GJZGRUSLSA-N 0 0 432.933 3.927 50 0 IHAARN COc1cccc([C@@H](C)CC(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 ZINC000095998353 569379083 /nfs/dbraw/zinc/37/90/83/569379083.db2.gz RCMHMQNDLPYSSU-RDPSFJRHSA-N 0 0 435.568 3.529 50 0 IHAARN CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O ZINC000096032812 569380901 /nfs/dbraw/zinc/38/09/01/569380901.db2.gz VABRORXFVJOSHQ-OXDHMAHTSA-N 0 0 429.576 3.906 50 0 in-vitro IHAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1csc(-c2ccccc2)n1 ZINC000096096610 569381189 /nfs/dbraw/zinc/38/11/89/569381189.db2.gz LLLKDVLZLXKVJK-UHFFFAOYSA-N 0 0 437.550 3.662 50 0 IHAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1 ZINC000096099238 569381587 /nfs/dbraw/zinc/38/15/87/569381587.db2.gz GDOKUGMLKCPMLK-UHFFFAOYSA-N 0 0 443.613 3.918 50 0 IHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1C ZINC000096103505 569381991 /nfs/dbraw/zinc/38/19/91/569381991.db2.gz AMVMKCOCVQYXQI-LJQANCHMSA-N 0 0 442.002 3.811 50 0 IHAARN COc1cc2ncn(CC(=O)Nc3cccc4c3ccn4CC(C)C)c(=O)c2cc1OC ZINC000096115972 569383476 /nfs/dbraw/zinc/38/34/76/569383476.db2.gz GCIYGRSUAHLFBR-UHFFFAOYSA-N 0 0 434.496 3.663 50 0 biogenic IHAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117768 569384313 /nfs/dbraw/zinc/38/43/13/569384313.db2.gz HFWUDNXEXUELCY-KZULUSFZSA-N 0 0 433.530 3.511 50 0 IHAARN O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119753 569384830 /nfs/dbraw/zinc/38/48/30/569384830.db2.gz QRSMYUOXWGVUJD-UHFFFAOYSA-N 0 0 432.461 3.936 50 0 IHAARN Cc1cc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCOCC2)n1 ZINC000096121302 569385042 /nfs/dbraw/zinc/38/50/42/569385042.db2.gz HBIXULFKNQBUGM-UHFFFAOYSA-N 0 0 429.830 3.616 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1Cl ZINC000096126926 569385775 /nfs/dbraw/zinc/38/57/75/569385775.db2.gz HBOVLPFFCDBZFD-FQEVSTJZSA-N 0 0 425.916 3.631 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)C(C)C)cc1 ZINC000096211348 569386554 /nfs/dbraw/zinc/38/65/54/569386554.db2.gz NHXMGUHUTQPSPV-MZNJEOGPSA-N 0 0 426.557 3.973 50 0 IHAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCCc1nc2ccccc2n1C ZINC000096222758 569387256 /nfs/dbraw/zinc/38/72/56/569387256.db2.gz JJNLRWGCICCTBC-UHFFFAOYSA-N 0 0 433.508 3.678 50 0 biogenic IHAARN COc1cc(-c2noc(CCN(CC(C)C)C(=O)C3CCCC3)n2)cc(OC)c1OC ZINC000096278760 569389198 /nfs/dbraw/zinc/38/91/98/569389198.db2.gz TXVOEUVQGZMVIH-UHFFFAOYSA-N 0 0 431.533 3.980 50 0 IHAARN CCN(CCN1C(=O)CS[C@@H]1c1cccs1)S(=O)(=O)c1cccc2cccnc21 ZINC000096279412 569389316 /nfs/dbraw/zinc/38/93/16/569389316.db2.gz VWVWCPYLCKLPKB-HXUWFJFHSA-N 0 0 447.607 3.581 50 0 IHAARN COc1ccc(CC(=O)N2CCc3nc(N4CCCCC4)nc(N4CCCCC4)c3C2)cc1 ZINC000096281877 569390141 /nfs/dbraw/zinc/39/01/41/569390141.db2.gz MARRLDMCNDYDBN-UHFFFAOYSA-N 0 0 449.599 3.593 50 0 IHAARN CC[C@H](C)NC(=O)c1ccccc1CSc1nnc(-c2ccncc2)n1CCOC ZINC000096287001 569390369 /nfs/dbraw/zinc/39/03/69/569390369.db2.gz NTTMPSLOBUIAHU-INIZCTEOSA-N 0 0 425.558 3.807 50 0 IHAARN COc1ccc(CCNC(=O)c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1OC ZINC000096294795 569391923 /nfs/dbraw/zinc/39/19/23/569391923.db2.gz ORZYKTZFPAGABW-UHFFFAOYSA-N 0 0 447.463 3.663 50 0 IHAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(=O)n(C)nc2CSc1nc(C)cc(C)n1 ZINC000096306044 569392156 /nfs/dbraw/zinc/39/21/56/569392156.db2.gz CWNCYZQGFYJSEL-UHFFFAOYSA-N 0 0 426.933 3.780 50 0 IHAARN CCNC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(OC)cc2)CC1 ZINC000096316768 569392866 /nfs/dbraw/zinc/39/28/66/569392866.db2.gz JAWDEBNDZDZHKY-UHFFFAOYSA-N 0 0 445.567 3.903 50 0 IHAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317016 569393044 /nfs/dbraw/zinc/39/30/44/569393044.db2.gz OJDGIOFXMVBMAT-UHFFFAOYSA-N 0 0 425.552 3.886 50 0 IHAARN Cc1ccc2c(c1)c(=O)n(-c1cccc(C)c1C)c(=O)n2CC(=O)NCc1ccc(F)cc1 ZINC000096318232 569393712 /nfs/dbraw/zinc/39/37/12/569393712.db2.gz NRPLOIQCZDKGQQ-UHFFFAOYSA-N 0 0 445.494 3.533 50 0 IHAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NCC(C)C)n4ccn3n2)cc1 ZINC000096322372 569394638 /nfs/dbraw/zinc/39/46/38/569394638.db2.gz BOKHNJNUCMDSET-UHFFFAOYSA-N 0 0 434.544 3.928 50 0 IHAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1Cl ZINC000096324702 569395919 /nfs/dbraw/zinc/39/59/19/569395919.db2.gz PMCZSCVOPYGDMR-UHFFFAOYSA-N 0 0 439.903 3.625 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000096331528 569396447 /nfs/dbraw/zinc/39/64/47/569396447.db2.gz DBHAMNOUHHMCIA-UHFFFAOYSA-N 0 0 439.519 3.677 50 0 IHAARN COc1cc(C[C@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)c(OC)c2c1OCO2 ZINC000096335742 569396654 /nfs/dbraw/zinc/39/66/54/569396654.db2.gz SPXBHZMRXQYNLP-ZDUSSCGKSA-N 0 0 441.509 3.977 50 0 IHAARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358591 569397485 /nfs/dbraw/zinc/39/74/85/569397485.db2.gz UUTZMJFVZHXLJB-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1=O ZINC000096372438 569397869 /nfs/dbraw/zinc/39/78/69/569397869.db2.gz CHYJHILUVZPLBV-UHFFFAOYSA-N 0 0 432.430 3.905 50 0 IHAARN COc1ccc(CC(=O)N2CCC(c3nc(CNC(=O)C4CCC4)cs3)CC2)cc1 ZINC000096372634 569397918 /nfs/dbraw/zinc/39/79/18/569397918.db2.gz RJQSNRYKDAUPQX-UHFFFAOYSA-N 0 0 427.570 3.517 50 0 IHAARN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)Cc3ccccc3Cl)c2=O)cc1 ZINC000096386004 569398310 /nfs/dbraw/zinc/39/83/10/569398310.db2.gz CEWCRWLCHDEMRF-UHFFFAOYSA-N 0 0 434.927 3.567 50 0 IHAARN O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)C2)N1CCCC1 ZINC000096398337 569399582 /nfs/dbraw/zinc/39/95/82/569399582.db2.gz REKYROZEOPICIJ-QGZVFWFLSA-N 0 0 441.572 3.577 50 0 IHAARN Cn1c(CNC(=O)[C@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)nc2ccccc21 ZINC000096398382 569399663 /nfs/dbraw/zinc/39/96/63/569399663.db2.gz CUYSOSZXLSXDOH-INIZCTEOSA-N 0 0 436.581 3.682 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000096399495 569400035 /nfs/dbraw/zinc/40/00/35/569400035.db2.gz WULFZAKNSHNHAW-UHFFFAOYSA-N 0 0 425.532 3.846 50 0 IHAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)NCc3cccc(F)c3)sc2c1 ZINC000096399517 569400126 /nfs/dbraw/zinc/40/01/26/569400126.db2.gz XBOCGENJUQWOJT-UHFFFAOYSA-N 0 0 439.559 3.606 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1N1CCc2cnn(C(=O)C(C)C)c21 ZINC000096592533 569401940 /nfs/dbraw/zinc/40/19/40/569401940.db2.gz QHYLDROHJMLTAR-UHFFFAOYSA-N 0 0 430.574 3.665 50 0 IHAARN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)o1 ZINC000097161519 569403307 /nfs/dbraw/zinc/40/33/07/569403307.db2.gz JKZXLSJOSNWVFN-UHFFFAOYSA-N 0 0 428.443 3.887 50 0 IHAARN Cn1ccnc1[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000225577812 569404858 /nfs/dbraw/zinc/40/48/58/569404858.db2.gz AVEDTPLSGPOLMF-RTWAWAEBSA-N 0 0 430.552 3.832 50 0 IHAARN Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225620068 569405789 /nfs/dbraw/zinc/40/57/89/569405789.db2.gz IIPBKBFJLPLLBI-GOSISDBHSA-N 0 0 429.318 3.629 50 0 IHAARN CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCc2cncc(-c3cccs3)c2)cc1 ZINC000225664927 569406401 /nfs/dbraw/zinc/40/64/01/569406401.db2.gz YOTHUJPFJNRFMU-UHFFFAOYSA-N 0 0 443.594 3.702 50 0 IHAARN CCOc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1OCC ZINC000225733628 569407645 /nfs/dbraw/zinc/40/76/45/569407645.db2.gz RYGUOGVYBYUPOS-UHFFFAOYSA-N 0 0 438.450 3.564 50 0 IHAARN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cncc(Br)c1 ZINC000225757611 569408185 /nfs/dbraw/zinc/40/81/85/569408185.db2.gz KQANYGDDVGODLU-UHFFFAOYSA-N 0 0 432.347 3.695 50 0 IHAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000028228560 569409333 /nfs/dbraw/zinc/40/93/33/569409333.db2.gz BXDRPPSBTICQEX-XLIONFOSSA-N 0 0 441.524 3.962 50 0 IHAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000028295059 569409701 /nfs/dbraw/zinc/40/97/01/569409701.db2.gz OTQVZPBQAZFKFV-QLFBSQMISA-N 0 0 428.466 3.768 50 0 IHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000002627594 569411894 /nfs/dbraw/zinc/41/18/94/569411894.db2.gz DONKNMYSEZLUQR-FQEVSTJZSA-N 0 0 435.402 3.771 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H](C)O1 ZINC000215686942 569412237 /nfs/dbraw/zinc/41/22/37/569412237.db2.gz ODOLBJNOHBQOGW-GPCCPHFNSA-N 0 0 433.382 3.753 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21)c1ccccc1 ZINC000002631846 569412456 /nfs/dbraw/zinc/41/24/56/569412456.db2.gz NYMLYUCUPMPTFC-HNNXBMFYSA-N 0 0 449.898 3.643 50 0 IHAARN C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002643068 569413852 /nfs/dbraw/zinc/41/38/52/569413852.db2.gz ZRBUXZRRKIICJK-LLVKDONJSA-N 0 0 439.438 3.860 50 0 IHAARN Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2c1C ZINC000002643497 569413886 /nfs/dbraw/zinc/41/38/86/569413886.db2.gz BBSADUJIPCAJOW-QGZVFWFLSA-N 0 0 443.594 3.510 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)CC2)cc1 ZINC000215726793 569414283 /nfs/dbraw/zinc/41/42/83/569414283.db2.gz WLCNXSBDUFCHSW-IBGZPJMESA-N 0 0 446.334 3.650 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n2)cc1OC ZINC000002656700 569415465 /nfs/dbraw/zinc/41/54/65/569415465.db2.gz XHJLNYDUWPUAAZ-UHFFFAOYSA-N 0 0 448.504 3.685 50 0 IHAARN Cc1ccc(-c2csc(NC(=O)COC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)n2)cc1 ZINC000002662010 569416119 /nfs/dbraw/zinc/41/61/19/569416119.db2.gz ONSSMYUYPNHJRL-IBGZPJMESA-N 0 0 441.509 3.648 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)no1 ZINC000002662078 569416151 /nfs/dbraw/zinc/41/61/51/569416151.db2.gz DDDQYRNMWJLSPI-UHFFFAOYSA-N 0 0 449.492 3.749 50 0 IHAARN O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000002661793 569416197 /nfs/dbraw/zinc/41/61/97/569416197.db2.gz PMSJFKMNMBKAHP-MRXNPFEDSA-N 0 0 441.578 3.712 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000002726311 569418542 /nfs/dbraw/zinc/41/85/42/569418542.db2.gz PSNVOHLDNIOPMZ-UHFFFAOYSA-N 0 0 440.487 3.731 50 0 IHAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000028784616 569420832 /nfs/dbraw/zinc/42/08/32/569420832.db2.gz JQLMPMQOXYZXRG-UHFFFAOYSA-N 0 0 425.437 3.670 50 0 IHAARN Cc1c(Cl)c(C(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002779215 569421055 /nfs/dbraw/zinc/42/10/55/569421055.db2.gz SJBNYMXIZAISDO-UHFFFAOYSA-N 0 0 441.891 3.511 50 0 IHAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002788494 569421419 /nfs/dbraw/zinc/42/14/19/569421419.db2.gz ZWLYSWZJZYPFJS-UHFFFAOYSA-N 0 0 428.283 3.530 50 0 IHAARN CCOC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c2c1C ZINC000002791301 569421771 /nfs/dbraw/zinc/42/17/71/569421771.db2.gz OKFXHBSBXLWLIC-UHFFFAOYSA-N 0 0 442.888 3.982 50 0 IHAARN COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)cc4)nc3c2c1C ZINC000002793102 569421966 /nfs/dbraw/zinc/42/19/66/569421966.db2.gz SZWUERVJKDIZLH-UHFFFAOYSA-N 0 0 438.900 3.999 50 0 IHAARN Cn1cc(CNC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)cn1 ZINC000002793494 569422043 /nfs/dbraw/zinc/42/20/43/569422043.db2.gz ZUGVHZZJROFWJI-UHFFFAOYSA-N 0 0 440.838 3.794 50 0 IHAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1)NCc1ccccc1 ZINC000002908877 569424564 /nfs/dbraw/zinc/42/45/64/569424564.db2.gz JIGNFFJZTXYSCU-UHFFFAOYSA-N 0 0 425.510 3.995 50 0 IHAARN CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C(C)C)cc3)c(C)c2c1=O ZINC000002937491 569426281 /nfs/dbraw/zinc/42/62/81/569426281.db2.gz GMVRNEMNGXVEAZ-UHFFFAOYSA-N 0 0 426.542 3.668 50 0 IHAARN Cc1cc(NC(=O)c2cc(Br)c(Br)s2)ccc1-n1cnnn1 ZINC000029102118 569426834 /nfs/dbraw/zinc/42/68/34/569426834.db2.gz YZJRPNYIOZNJPL-UHFFFAOYSA-N 0 0 443.124 3.810 50 0 IHAARN COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)O2)cc1Br ZINC000002945857 569426879 /nfs/dbraw/zinc/42/68/79/569426879.db2.gz DESNEEFXRASOLT-GXDHUFHOSA-N 0 0 448.269 3.828 50 0 IHAARN COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000056945363 569428060 /nfs/dbraw/zinc/42/80/60/569428060.db2.gz CGAXCVOIPSEPOL-NRFANRHFSA-N 0 0 435.524 3.590 50 0 IHAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000056945761 569428205 /nfs/dbraw/zinc/42/82/05/569428205.db2.gz VCJTYWFSPHJWNM-HXUWFJFHSA-N 0 0 429.442 3.990 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2ccccc2C)CC1 ZINC000057270857 569430321 /nfs/dbraw/zinc/43/03/21/569430321.db2.gz XWPPSXQDWWGCLU-UHFFFAOYSA-N 0 0 439.585 3.667 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000029482224 569430632 /nfs/dbraw/zinc/43/06/32/569430632.db2.gz JXVOVPKDANAEKI-IBGZPJMESA-N 0 0 426.538 3.802 50 0 IHAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@H](C)O1 ZINC000227003335 569431010 /nfs/dbraw/zinc/43/10/10/569431010.db2.gz MOKVWULACIIHPM-RBZYPMLTSA-N 0 0 433.382 3.753 50 0 IHAARN CSc1nn(CC(=O)Nc2cccc(F)c2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 ZINC000057354744 569431493 /nfs/dbraw/zinc/43/14/93/569431493.db2.gz RREIDWRMRMZHJY-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000227152847 569431761 /nfs/dbraw/zinc/43/17/61/569431761.db2.gz GFHQYCAGSZAHNX-INIZCTEOSA-N 0 0 426.904 3.768 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Br)cc1 ZINC000227161518 569431803 /nfs/dbraw/zinc/43/18/03/569431803.db2.gz QHSYJVOIKRKRQN-AWEZNQCLSA-N 0 0 430.302 3.727 50 0 IHAARN CS(=O)(=O)c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000029695849 569431811 /nfs/dbraw/zinc/43/18/11/569431811.db2.gz HYZGGLSHWFYIEO-UHFFFAOYSA-N 0 0 431.517 3.873 50 0 IHAARN O=C(NCc1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000057416486 569434209 /nfs/dbraw/zinc/43/42/09/569434209.db2.gz DZAVYSTWSWKGHS-GFCCVEGCSA-N 0 0 425.685 3.911 50 0 IHAARN O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000057416621 569434326 /nfs/dbraw/zinc/43/43/26/569434326.db2.gz ADAHNNBDFQZWTA-CQSZACIVSA-N 0 0 436.314 3.834 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)Nc1cccc(Cl)c1 ZINC000057426744 569434666 /nfs/dbraw/zinc/43/46/66/569434666.db2.gz DMBYROIEYSXKKW-UHFFFAOYSA-N 0 0 443.887 3.704 50 0 IHAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000057428061 569434854 /nfs/dbraw/zinc/43/48/54/569434854.db2.gz ANUKVSOPCQTZSR-UHFFFAOYSA-N 0 0 449.532 3.619 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O ZINC000057428845 569434983 /nfs/dbraw/zinc/43/49/83/569434983.db2.gz DEBLRLCUHBVBEN-UHFFFAOYSA-N 0 0 425.897 3.814 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(F)cc(F)c3)c2=O)cc1F ZINC000057429046 569435017 /nfs/dbraw/zinc/43/50/17/569435017.db2.gz HKWPRYSXNSBCLT-UHFFFAOYSA-N 0 0 445.422 3.578 50 0 IHAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(-c2ccc(F)cc2)n1 ZINC000057477869 569435781 /nfs/dbraw/zinc/43/57/81/569435781.db2.gz MILPVAUSICMPSX-UHFFFAOYSA-N 0 0 434.240 3.898 50 0 IHAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000057485645 569436325 /nfs/dbraw/zinc/43/63/25/569436325.db2.gz PYYMEKJZWAHISA-CQSZACIVSA-N 0 0 440.371 3.962 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)Nc1cccc(Cl)c1)c2=O ZINC000057486471 569436500 /nfs/dbraw/zinc/43/65/00/569436500.db2.gz SFWWBQIHTQGZQD-UHFFFAOYSA-N 0 0 428.279 3.836 50 0 IHAARN Cc1ccc2c(c1)N(C(=O)Cn1cccc1-c1nc(-c3ccc4c(c3)OCO4)no1)CCO2 ZINC000057487043 569436578 /nfs/dbraw/zinc/43/65/78/569436578.db2.gz MBWCCRDFQIGNNS-UHFFFAOYSA-N 0 0 444.447 3.668 50 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/nfs/dbraw/zinc/45/52/76/569455276.db2.gz PATAWKYVFJQXLY-UPCLLVRISA-N 0 0 449.511 3.770 50 0 IHAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000031267614 569455322 /nfs/dbraw/zinc/45/53/22/569455322.db2.gz DLCLGCMCCHAGFV-HSZRJFAPSA-N 0 0 439.533 3.839 50 0 IHAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657774 569455808 /nfs/dbraw/zinc/45/58/08/569455808.db2.gz SYMLSCBFCSKLMF-DNQXCXABSA-N 0 0 430.504 3.931 50 0 IHAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000031336545 569456092 /nfs/dbraw/zinc/45/60/92/569456092.db2.gz OXLKJYJSFYXNIH-NSHDSACASA-N 0 0 435.398 3.980 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)Cc1ccco1 ZINC000031458261 569456509 /nfs/dbraw/zinc/45/65/09/569456509.db2.gz LOYGOYQSSVVFKR-MRXNPFEDSA-N 0 0 425.348 3.552 50 0 IHAARN CC[C@@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1cc(C)on1 ZINC000031635476 569456910 /nfs/dbraw/zinc/45/69/10/569456910.db2.gz LUMQSYJHBCWJRI-GOSISDBHSA-N 0 0 431.452 3.805 50 0 IHAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000031807198 569457495 /nfs/dbraw/zinc/45/74/95/569457495.db2.gz OYOZGRQDPBOSLM-LJQANCHMSA-N 0 0 449.540 3.657 50 0 IHAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032073502 569459278 /nfs/dbraw/zinc/45/92/78/569459278.db2.gz AHYUDXKERUVXIU-QGZVFWFLSA-N 0 0 447.362 3.852 50 0 IHAARN CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCCCC1 ZINC000032073528 569459282 /nfs/dbraw/zinc/45/92/82/569459282.db2.gz WVKPCAPFTMUYDY-UHFFFAOYSA-N 0 0 439.541 3.577 50 0 IHAARN CC(C)Cc1nc2oc3c(ncn(CC(=O)Nc4nccs4)c3=O)c2c2c1CCCC2 ZINC000032075048 569459391 /nfs/dbraw/zinc/45/93/91/569459391.db2.gz LXOUEUCMOJZKJV-UHFFFAOYSA-N 0 0 437.525 3.710 50 0 IHAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)cc2OC)C12CCCC2 ZINC000032093102 569459688 /nfs/dbraw/zinc/45/96/88/569459688.db2.gz LTQRXCBUEGHZRZ-JOCHJYFZSA-N 0 0 438.524 3.841 50 0 IHAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)Nc4ccc(F)cc43)sc2c1 ZINC000032092987 569459705 /nfs/dbraw/zinc/45/97/05/569459705.db2.gz SGWGDGDUHFKVEA-OAQYLSRUSA-N 0 0 435.440 3.860 50 0 IHAARN CC(C)Cc1csc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 ZINC000032094864 569459766 /nfs/dbraw/zinc/45/97/66/569459766.db2.gz PZFWHPZUAPDVHI-UHFFFAOYSA-N 0 0 449.580 3.984 50 0 IHAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)c(C)c1C ZINC000059374065 569461107 /nfs/dbraw/zinc/46/11/07/569461107.db2.gz UHTYMAJLPDQGSX-SFHVURJKSA-N 0 0 432.590 3.557 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 ZINC000038486961 569462836 /nfs/dbraw/zinc/46/28/36/569462836.db2.gz BTRWSOKRTPQRFT-UHFFFAOYSA-N 0 0 442.504 3.977 50 0 IHAARN COc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1OC ZINC000038487503 569462898 /nfs/dbraw/zinc/46/28/98/569462898.db2.gz MVTNHLTVXKMFCB-UHFFFAOYSA-N 0 0 449.898 3.930 50 0 IHAARN CCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)o3)n2)cc1OC ZINC000038489264 569463107 /nfs/dbraw/zinc/46/31/07/569463107.db2.gz WVGPHGKWIDXLFN-AWEZNQCLSA-N 0 0 447.513 3.825 50 0 IHAARN CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2cccc(OC)c2)cc(OCC)c1OCC ZINC000067197572 569464449 /nfs/dbraw/zinc/46/44/49/569464449.db2.gz OBPAHPORXZQKGH-MRXNPFEDSA-N 0 0 445.512 3.926 50 0 IHAARN Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Br)cc3)no2)no1 ZINC000067207606 569464726 /nfs/dbraw/zinc/46/47/26/569464726.db2.gz DZBSAHHFGHPFFJ-UHFFFAOYSA-N 0 0 428.246 3.903 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1C ZINC000067218554 569465032 /nfs/dbraw/zinc/46/50/32/569465032.db2.gz SOEADVIUYXGLGV-IBGZPJMESA-N 0 0 445.544 3.634 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 ZINC000067236518 569465433 /nfs/dbraw/zinc/46/54/33/569465433.db2.gz NAHCFOIVZOLMMI-UHFFFAOYSA-N 0 0 438.509 3.722 50 0 IHAARN Cc1cc2nc(SCC(=O)N3CCOc4ccc(C)cc43)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236814 569465441 /nfs/dbraw/zinc/46/54/41/569465441.db2.gz XPXKFBRRGVGPKX-UHFFFAOYSA-N 0 0 446.532 3.848 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238253 569465568 /nfs/dbraw/zinc/46/55/68/569465568.db2.gz DPUGQEAQMCVEJK-UHFFFAOYSA-N 0 0 434.512 3.766 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238184 569465572 /nfs/dbraw/zinc/46/55/72/569465572.db2.gz RGGQHHZUOVLZIW-UHFFFAOYSA-N 0 0 442.541 3.581 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000067238433 569465584 /nfs/dbraw/zinc/46/55/84/569465584.db2.gz WICMOYJLZJLECL-UHFFFAOYSA-N 0 0 430.530 3.581 50 0 IHAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000067238793 569465656 /nfs/dbraw/zinc/46/56/56/569465656.db2.gz OLLJAMPLZYDJOV-CYBMUJFWSA-N 0 0 428.514 3.521 50 0 IHAARN Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067239454 569465690 /nfs/dbraw/zinc/46/56/90/569465690.db2.gz YFERLPSTMAFUJU-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 IHAARN COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)c1 ZINC000067245744 569465934 /nfs/dbraw/zinc/46/59/34/569465934.db2.gz ZZVSWXAELMRFJW-UHFFFAOYSA-N 0 0 432.524 3.737 50 0 IHAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)C1(c2ccccc2)CCOCC1 ZINC000038669690 569466003 /nfs/dbraw/zinc/46/60/03/569466003.db2.gz OHJYGVFAGXQOEQ-UHFFFAOYSA-N 0 0 438.578 3.926 50 0 IHAARN CC[C@H]1CCCCN1c1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)ncn1 ZINC000067255778 569466069 /nfs/dbraw/zinc/46/60/69/569466069.db2.gz CSEFYLHAJXIMIW-SFHVURJKSA-N 0 0 444.601 3.714 50 0 IHAARN COc1ccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)cc1F ZINC000067257963 569466139 /nfs/dbraw/zinc/46/61/39/569466139.db2.gz BXLANZJJQYLKOI-UHFFFAOYSA-N 0 0 429.249 3.541 50 0 IHAARN COc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCC5)CC4)nccn3n2)cc1OC ZINC000067263459 569466704 /nfs/dbraw/zinc/46/67/04/569466704.db2.gz BROKCCUEAANMKE-UHFFFAOYSA-N 0 0 449.555 3.689 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286896 569467075 /nfs/dbraw/zinc/46/70/75/569467075.db2.gz TWBSSNUGGDGTOC-QFIPXVFZSA-N 0 0 437.565 3.638 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O ZINC000067290806 569467634 /nfs/dbraw/zinc/46/76/34/569467634.db2.gz JKMRSSXFSQEXQJ-UHFFFAOYSA-N 0 0 440.569 3.620 50 0 IHAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C(N)=O)cc3)oc21 ZINC000067295673 569467986 /nfs/dbraw/zinc/46/79/86/569467986.db2.gz XKAMCPJJEXTOMQ-PNHLSOANSA-N 0 0 428.448 3.728 50 0 IHAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO ZINC000067301601 569468329 /nfs/dbraw/zinc/46/83/29/569468329.db2.gz WKMSLRVRDATDET-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000067318787 569468527 /nfs/dbraw/zinc/46/85/27/569468527.db2.gz KJZHHBOOWNLCAJ-UHFFFAOYSA-N 0 0 425.435 3.545 50 0 IHAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1CC(=O)Nc1ccccc1Br ZINC000067322349 569468695 /nfs/dbraw/zinc/46/86/95/569468695.db2.gz JSLFVYREDKHVNP-UHFFFAOYSA-N 0 0 442.317 3.857 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cc(F)ccc2C)c1C ZINC000067322151 569468697 /nfs/dbraw/zinc/46/86/97/569468697.db2.gz WQCFHYVEQJDNJF-UHFFFAOYSA-N 0 0 431.855 3.587 50 0 IHAARN CN(C)C(=O)CSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000008619716 569469367 /nfs/dbraw/zinc/46/93/67/569469367.db2.gz BODLXOCESVMLAZ-MRXNPFEDSA-N 0 0 445.545 3.540 50 0 IHAARN Cc1c(Cl)cccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000008662391 569469914 /nfs/dbraw/zinc/46/99/14/569469914.db2.gz HUZLXYNXWNKPHG-UHFFFAOYSA-N 0 0 429.929 3.555 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccsc3)nnc2N2CCCC2)cc1 ZINC000008704870 569470379 /nfs/dbraw/zinc/47/03/79/569470379.db2.gz WVNXQMTZOGQKBS-UHFFFAOYSA-N 0 0 427.599 3.988 50 0 IHAARN C[C@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000008707318 569470566 /nfs/dbraw/zinc/47/05/66/569470566.db2.gz HBTRNJGRCYMTTP-KRWDZBQOSA-N 0 0 439.560 3.972 50 0 IHAARN COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2nccn2C)c1 ZINC000008707651 569470592 /nfs/dbraw/zinc/47/05/92/569470592.db2.gz OSGCZHRVBCVOGC-OAQYLSRUSA-N 0 0 443.569 3.803 50 0 IHAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000008710478 569470923 /nfs/dbraw/zinc/47/09/23/569470923.db2.gz NUYONWNCWVMJRD-UHFFFAOYSA-N 0 0 433.581 3.935 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Br)cc1)n1nnc2sc3c(c2c1=O)CCCC3 ZINC000008717896 569471164 /nfs/dbraw/zinc/47/11/64/569471164.db2.gz VSUWTPICDSVKPT-SNVBAGLBSA-N 0 0 433.331 3.694 50 0 IHAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000008718715 569471307 /nfs/dbraw/zinc/47/13/07/569471307.db2.gz QFLAOGSFFVGKSQ-UZLBHIALSA-N 0 0 445.610 3.541 50 0 IHAARN C[C@@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1ccccn1 ZINC000008727165 569472335 /nfs/dbraw/zinc/47/23/35/569472335.db2.gz LHZXBQJHERRJQA-LJQANCHMSA-N 0 0 426.520 3.844 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000008735855 569472650 /nfs/dbraw/zinc/47/26/50/569472650.db2.gz OZFBPBNLHXURGW-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN CCn1c2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)cc2[nH]c(=O)c1=O ZINC000008736027 569472715 /nfs/dbraw/zinc/47/27/15/569472715.db2.gz JKNKEDFLCWVVDZ-UHFFFAOYSA-N 0 0 431.477 3.567 50 0 IHAARN COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000008752710 569473600 /nfs/dbraw/zinc/47/36/00/569473600.db2.gz VFOFMRNKVIXRCC-NRFANRHFSA-N 0 0 429.314 3.914 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1 ZINC000008790486 569476121 /nfs/dbraw/zinc/47/61/21/569476121.db2.gz MGCZODBATSKEKK-UHFFFAOYSA-N 0 0 432.571 3.645 50 0 IHAARN COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4cccnc4)ccc32)cc1 ZINC000008792019 569476325 /nfs/dbraw/zinc/47/63/25/569476325.db2.gz SZVUOLQBVMJPHP-MRXNPFEDSA-N 0 0 430.460 3.947 50 0 biogenic IHAARN CCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nnc1-c1ccncc1 ZINC000008824000 569477163 /nfs/dbraw/zinc/47/71/63/569477163.db2.gz SZALAMFFRNVSEE-UHFFFAOYSA-N 0 0 433.545 3.862 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000008825057 569477263 /nfs/dbraw/zinc/47/72/63/569477263.db2.gz ZOMVFYYVMDUTPS-JOCHJYFZSA-N 0 0 433.533 3.827 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000008825056 569477305 /nfs/dbraw/zinc/47/73/05/569477305.db2.gz ZOMVFYYVMDUTPS-QFIPXVFZSA-N 0 0 433.533 3.827 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000008825360 569477324 /nfs/dbraw/zinc/47/73/24/569477324.db2.gz FZHBRENYVYTLFP-QLXKLKPCSA-N 0 0 448.519 3.960 50 0 IHAARN CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008828070 569477782 /nfs/dbraw/zinc/47/77/82/569477782.db2.gz ROLXUASDTQVFEP-QZTJIDSGSA-N 0 0 440.443 3.716 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3C)cc2CCC1=O ZINC000008840589 569478303 /nfs/dbraw/zinc/47/83/03/569478303.db2.gz WZIRSRGYFOGHPC-UHFFFAOYSA-N 0 0 429.542 3.834 50 0 IHAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008843863 569478542 /nfs/dbraw/zinc/47/85/42/569478542.db2.gz DFFRAXAKLOZDMK-QGZVFWFLSA-N 0 0 432.343 3.889 50 0 IHAARN COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC ZINC000008845133 569478713 /nfs/dbraw/zinc/47/87/13/569478713.db2.gz LPKCPXAILQJYBX-XMMPIXPASA-N 0 0 442.475 3.940 50 0 IHAARN COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000008861774 569480067 /nfs/dbraw/zinc/48/00/67/569480067.db2.gz QJEAWVBEVRPRDM-HNNXBMFYSA-N 0 0 433.835 3.647 50 0 IHAARN Cc1ccc(-c2csc3ncn(CC(=O)NCCc4ccc(F)cc4)c(=O)c23)s1 ZINC000008862073 569480086 /nfs/dbraw/zinc/48/00/86/569480086.db2.gz SUJFBIMNEKOUER-UHFFFAOYSA-N 0 0 427.526 3.993 50 0 IHAARN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000008876331 569481121 /nfs/dbraw/zinc/48/11/21/569481121.db2.gz JJTCYRWWBGWERI-YYDVJCTNSA-N 0 0 445.629 3.728 50 0 biogenic IHAARN COc1cc(OC)c2c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000008879165 569481325 /nfs/dbraw/zinc/48/13/25/569481325.db2.gz MPCJPYXJUFUADU-CQSZACIVSA-N 0 0 434.492 3.890 50 0 biogenic IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000008879865 569481400 /nfs/dbraw/zinc/48/14/00/569481400.db2.gz ZXUCYVHXBKWMJZ-UHFFFAOYSA-N 0 0 426.494 3.990 50 0 IHAARN Cc1ccccc1-c1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cn1 ZINC000039455152 569481569 /nfs/dbraw/zinc/48/15/69/569481569.db2.gz YAMUJXLFPWVUJE-OAQYLSRUSA-N 0 0 438.522 3.799 50 0 IHAARN Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 ZINC000039519767 569481645 /nfs/dbraw/zinc/48/16/45/569481645.db2.gz MHEZNTVZZMPMRF-ZDUSSCGKSA-N 0 0 430.858 3.800 50 0 IHAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000039547124 569481697 /nfs/dbraw/zinc/48/16/97/569481697.db2.gz NICJQHUHIGZSQZ-OAHLLOKOSA-N 0 0 431.492 3.787 50 0 IHAARN Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040040213 569483406 /nfs/dbraw/zinc/48/34/06/569483406.db2.gz UFJSFCJIBARYPG-HNNXBMFYSA-N 0 0 446.429 3.798 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000008898133 569484009 /nfs/dbraw/zinc/48/40/09/569484009.db2.gz SFHJPCPNFSDMHL-UHFFFAOYSA-N 0 0 443.547 3.825 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000040050488 569484248 /nfs/dbraw/zinc/48/42/48/569484248.db2.gz GHSPWLKEJOPJRH-UHFFFAOYSA-N 0 0 430.545 3.738 50 0 IHAARN Cc1cccc(Nc2nnc(S[C@H](C(=O)N3CCC(C(N)=O)CC3)C(C)C)s2)c1C ZINC000040050905 569484296 /nfs/dbraw/zinc/48/42/96/569484296.db2.gz OZZGMTJFYWWUOW-KRWDZBQOSA-N 0 0 447.630 3.739 50 0 IHAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008901798 569484319 /nfs/dbraw/zinc/48/43/19/569484319.db2.gz JKTROVUISKDITR-ZDUSSCGKSA-N 0 0 442.566 3.791 50 0 IHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCc2ccccc21 ZINC000008901485 569484361 /nfs/dbraw/zinc/48/43/61/569484361.db2.gz MWLSPXSVVXFGLY-SJLPKXTDSA-N 0 0 435.549 3.645 50 0 IHAARN CS(=O)(=O)Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000040051445 569484389 /nfs/dbraw/zinc/48/43/89/569484389.db2.gz BOAJFWDAZKSAND-QGZVFWFLSA-N 0 0 433.533 3.750 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccc(C(F)(F)F)cc1 ZINC000008910280 569484776 /nfs/dbraw/zinc/48/47/76/569484776.db2.gz OEGGWAZXUCPVDD-UHFFFAOYSA-N 0 0 439.390 3.711 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)Oc2ccccc2OCC)c(Br)c1 ZINC000040061659 569484830 /nfs/dbraw/zinc/48/48/30/569484830.db2.gz DWMPRVAHBFITBZ-UHFFFAOYSA-N 0 0 429.288 3.792 50 0 IHAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)oc2c1 ZINC000008915163 569485524 /nfs/dbraw/zinc/48/55/24/569485524.db2.gz QGTPFTJWWKEUHU-KRWDZBQOSA-N 0 0 445.924 3.584 50 0 IHAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2ncccc21 ZINC000040073590 569486157 /nfs/dbraw/zinc/48/61/57/569486157.db2.gz UKNABZCPZKTMNK-RUZDIDTESA-N 0 0 428.492 3.953 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918807 569486341 /nfs/dbraw/zinc/48/63/41/569486341.db2.gz BLJRAPOKVZHSLJ-UHFFFAOYSA-N 0 0 442.512 3.654 50 0 IHAARN CCOC(=O)N1CCC([NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])CC1 ZINC000008932476 569487661 /nfs/dbraw/zinc/48/76/61/569487661.db2.gz HTTZUMGDPYFYKZ-UHFFFAOYSA-N 0 0 431.508 3.701 50 0 IHAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000040104474 569488172 /nfs/dbraw/zinc/48/81/72/569488172.db2.gz QZSYXUWHAXMBNI-UHFFFAOYSA-N 0 0 425.485 3.509 50 0 IHAARN Clc1cccc(-c2nc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)co2)c1 ZINC000040105785 569488292 /nfs/dbraw/zinc/48/82/92/569488292.db2.gz QFTYEJCXXBQVPZ-UHFFFAOYSA-N 0 0 426.952 3.631 50 0 IHAARN C[C@H](NC(=O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1)c1cccc2ccccc21 ZINC000008944055 569488859 /nfs/dbraw/zinc/48/88/59/569488859.db2.gz LBGMYZVSTIYNET-SFHVURJKSA-N 0 0 428.536 3.997 50 0 IHAARN Cc1cc(OCCCC(=O)Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)ccc1Cl ZINC000040114638 569489100 /nfs/dbraw/zinc/48/91/00/569489100.db2.gz WHPAZJODTQGAIC-UHFFFAOYSA-N 0 0 445.882 3.815 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2c(C)nc3ccccc32)c1 ZINC000040114978 569489197 /nfs/dbraw/zinc/48/91/97/569489197.db2.gz FPWPTHYLTDKHPU-UHFFFAOYSA-N 0 0 428.558 3.631 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000040118641 569489320 /nfs/dbraw/zinc/48/93/20/569489320.db2.gz WNRJADQNDCKGIY-FQEVSTJZSA-N 0 0 442.629 3.539 50 0 IHAARN O=C(CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1)NC1CC1 ZINC000040122897 569489715 /nfs/dbraw/zinc/48/97/15/569489715.db2.gz QFENMJZGJHFRGK-UHFFFAOYSA-N 0 0 425.533 3.652 50 0 IHAARN CCOC(=O)C1(NC(=O)c2cc(Br)c(OCC)c(OC)c2)CCCCC1 ZINC000040134632 569490559 /nfs/dbraw/zinc/49/05/59/569490559.db2.gz PLXSZNMJBRHKDL-UHFFFAOYSA-N 0 0 428.323 3.852 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2cccc(OCCn3cccn3)c2)nn1-c1ccccc1Cl ZINC000040134875 569490566 /nfs/dbraw/zinc/49/05/66/569490566.db2.gz WKBYFXLWNWZRNA-UHFFFAOYSA-N 0 0 449.898 3.722 50 0 IHAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(NCC(C)C)s2)c(=O)n(-c2ccccc2)n1C ZINC000008965733 569491508 /nfs/dbraw/zinc/49/15/08/569491508.db2.gz BKPGPBHMECIXSZ-AWEZNQCLSA-N 0 0 446.602 3.523 50 0 IHAARN COC(=O)c1ccc(C(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000040148885 569492409 /nfs/dbraw/zinc/49/24/09/569492409.db2.gz UZSOEXMVRVQGJX-NRFANRHFSA-N 0 0 436.895 3.914 50 0 IHAARN Cc1nc2ccccc2nc1S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000040152228 569493430 /nfs/dbraw/zinc/49/34/30/569493430.db2.gz PNHFUTNOMUZMQP-NSHDSACASA-N 0 0 438.336 3.896 50 0 IHAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000040152091 569493439 /nfs/dbraw/zinc/49/34/39/569493439.db2.gz NUNRLBJKQFCTOC-UHFFFAOYSA-N 0 0 434.427 3.800 50 0 IHAARN O=c1c2ccccc2nc(SCCCS(=O)(=O)c2ccccc2)n1Cc1ccco1 ZINC000040152418 569493446 /nfs/dbraw/zinc/49/34/46/569493446.db2.gz MIYXFSUZXIGWAU-UHFFFAOYSA-N 0 0 440.546 3.994 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000040158117 569494471 /nfs/dbraw/zinc/49/44/71/569494471.db2.gz OLBIODJTQJRZNR-INIZCTEOSA-N 0 0 426.611 3.621 50 0 IHAARN COc1ccc([C@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2)cc1 ZINC000008983207 569494672 /nfs/dbraw/zinc/49/46/72/569494672.db2.gz OEGCOQMDAOBDFB-HSZRJFAPSA-N 0 0 440.521 3.730 50 0 IHAARN CCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000008987924 569494875 /nfs/dbraw/zinc/49/48/75/569494875.db2.gz YBXJACFWYNXLMU-UHFFFAOYSA-N 0 0 436.555 3.533 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000008987076 569494885 /nfs/dbraw/zinc/49/48/85/569494885.db2.gz RYGSXYATUCMMAP-INIZCTEOSA-N 0 0 426.476 3.677 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000008988510 569494976 /nfs/dbraw/zinc/49/49/76/569494976.db2.gz LKCXVIAWFMBYLV-UHFFFAOYSA-N 0 0 432.933 3.984 50 0 IHAARN C[C@@H]1C[C@@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 ZINC000009001568 569495990 /nfs/dbraw/zinc/49/59/90/569495990.db2.gz KJTBTGMIECEPBR-UKRRQHHQSA-N 0 0 429.952 3.752 50 0 IHAARN COc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000009009829 569496446 /nfs/dbraw/zinc/49/64/46/569496446.db2.gz MGZYCNRVROUECB-UHFFFAOYSA-N 0 0 434.477 3.790 50 0 IHAARN COc1cc(OC)cc(-c2nnc3sc([C@@H](C)n4cc(Br)c(C)n4)nn32)c1 ZINC000040266920 569497252 /nfs/dbraw/zinc/49/72/52/569497252.db2.gz QQDDYJJLIBEGMT-SNVBAGLBSA-N 0 0 449.334 3.747 50 0 IHAARN COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1Cl ZINC000040283211 569497863 /nfs/dbraw/zinc/49/78/63/569497863.db2.gz TVAWPZDXCSAEHQ-JOCHJYFZSA-N 0 0 427.888 3.675 50 0 IHAARN COc1ccccc1CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000009053712 569498862 /nfs/dbraw/zinc/49/88/62/569498862.db2.gz MEAAQPZMXQIMIO-UHFFFAOYSA-N 0 0 431.444 3.869 50 0 biogenic IHAARN Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 ZINC000009054559 569498938 /nfs/dbraw/zinc/49/89/38/569498938.db2.gz FCGDKBRWKBKZHD-HSZRJFAPSA-N 0 0 429.520 3.693 50 0 IHAARN CCOCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245240867 569500780 /nfs/dbraw/zinc/50/07/80/569500780.db2.gz UOPPZXUWLPJHKH-LLBQEJIASA-N 0 0 440.588 3.618 50 0 IHAARN CCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245240846 569500783 /nfs/dbraw/zinc/50/07/83/569500783.db2.gz UHVYQDQHPFWVPK-BXZDMCNWSA-N 0 0 441.572 3.978 50 0 IHAARN COCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc(-c3cccnc3)nc3ccccc32)N1 ZINC000009090682 569501105 /nfs/dbraw/zinc/50/11/05/569501105.db2.gz AVTVOKLBIBYVGD-NRFANRHFSA-N 0 0 444.413 3.786 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccn1 ZINC000009095689 569501387 /nfs/dbraw/zinc/50/13/87/569501387.db2.gz NLAQSCGBNVVVOO-UHFFFAOYSA-N 0 0 445.928 3.539 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000245267420 569501886 /nfs/dbraw/zinc/50/18/86/569501886.db2.gz LQDKNJLLJULMEN-VKJFTORMSA-N 0 0 443.407 3.545 50 0 IHAARN COc1cc(C=CC(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000009108803 569501908 /nfs/dbraw/zinc/50/19/08/569501908.db2.gz SFPOCKXWIAAXEK-BBVFFXRHSA-N 0 0 441.553 3.749 50 0 biogenic IHAARN O=c1/c(=C/c2ccncc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000009111408 569502247 /nfs/dbraw/zinc/50/22/47/569502247.db2.gz ATXHTPXZIHDDQC-FBHQFGEZSA-N 0 0 427.554 3.775 50 0 IHAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 ZINC000009111773 569502342 /nfs/dbraw/zinc/50/23/42/569502342.db2.gz HKMABODFTFHNKH-LSDHHAIUSA-N 0 0 444.582 3.780 50 0 IHAARN CC1=C(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)SCCO1 ZINC000009115307 569502722 /nfs/dbraw/zinc/50/27/22/569502722.db2.gz KITJBLONNHXRRS-AWEZNQCLSA-N 0 0 440.521 3.882 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccccc2)c1=O)Nc1ccc(F)cc1 ZINC000009116495 569502912 /nfs/dbraw/zinc/50/29/12/569502912.db2.gz WDLYSOQJPZNKNO-UHFFFAOYSA-N 0 0 443.434 3.736 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccccc2)c1=O)Nc1cccc(F)c1 ZINC000009116494 569502951 /nfs/dbraw/zinc/50/29/51/569502951.db2.gz VDWDDBSDPKVLBS-UHFFFAOYSA-N 0 0 443.434 3.736 50 0 IHAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5cccnc5)CC4)sc3n2)cc1 ZINC000009117268 569503121 /nfs/dbraw/zinc/50/31/21/569503121.db2.gz VOKUOZHBQIWLMY-UHFFFAOYSA-N 0 0 432.553 3.694 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1 ZINC000040428142 569503200 /nfs/dbraw/zinc/50/32/00/569503200.db2.gz JXSMVLAOMTUJKW-UHFFFAOYSA-N 0 0 440.500 3.506 50 0 IHAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCc1ccccn1 ZINC000009117852 569503230 /nfs/dbraw/zinc/50/32/30/569503230.db2.gz CQJRNKNXDZRJLM-UHFFFAOYSA-N 0 0 433.917 3.607 50 0 IHAARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009124000 569504283 /nfs/dbraw/zinc/50/42/83/569504283.db2.gz TWGPXKOWBGAJHP-NPMXOYFQSA-N 0 0 435.480 3.524 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1C ZINC000009124881 569504432 /nfs/dbraw/zinc/50/44/32/569504432.db2.gz BBOHWLXEKJSLPY-AREMUKBSSA-N 0 0 445.494 3.554 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1cccnc1Cl ZINC000009125476 569504663 /nfs/dbraw/zinc/50/46/63/569504663.db2.gz QNDINIKCNMILBR-GFCCVEGCSA-N 0 0 435.962 3.965 50 0 IHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000009125816 569504681 /nfs/dbraw/zinc/50/46/81/569504681.db2.gz PCOVILIRFSVFOV-UHFFFAOYSA-N 0 0 448.504 3.783 50 0 IHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1OC ZINC000245380884 569505552 /nfs/dbraw/zinc/50/55/52/569505552.db2.gz RCMAAODXWJDDFR-RSNJUZROSA-N 0 0 448.585 3.857 50 0 IHAARN CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1O ZINC000009129169 569505629 /nfs/dbraw/zinc/50/56/29/569505629.db2.gz HNJUAMIPPLKZFI-QHCPKHFHSA-N 0 0 444.535 3.605 50 0 IHAARN Cc1ccc(OCC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1C ZINC000009130383 569506079 /nfs/dbraw/zinc/50/60/79/569506079.db2.gz IRJFIKHYBRUDHZ-UHFFFAOYSA-N 0 0 426.826 3.756 50 0 IHAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000040478509 569506760 /nfs/dbraw/zinc/50/67/60/569506760.db2.gz WHUGACLXFOHMRQ-UHFFFAOYSA-N 0 0 448.292 3.504 50 0 IHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccc3OC)=C(C)Nc3ncnn32)cc1OC ZINC000040484510 569506785 /nfs/dbraw/zinc/50/67/85/569506785.db2.gz CCOLZLNTVRRAAD-JOCHJYFZSA-N 0 0 449.511 3.930 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000009152820 569507852 /nfs/dbraw/zinc/50/78/52/569507852.db2.gz QSMSOYPZGLGDPR-KBPBESRZSA-N 0 0 448.566 3.709 50 0 IHAARN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(F)ccc1C ZINC000009154155 569508201 /nfs/dbraw/zinc/50/82/01/569508201.db2.gz FOUXZPXKAACQLM-UHFFFAOYSA-N 0 0 436.553 3.647 50 0 IHAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009170261 569509301 /nfs/dbraw/zinc/50/93/01/569509301.db2.gz ZPKAMHACWCQVOX-UHFFFAOYSA-N 0 0 432.542 3.884 50 0 IHAARN COCc1c2c(nc(C)c1Br)sc1c2nnn(-c2ccc(OC)cc2)c1=O ZINC000009185167 569510056 /nfs/dbraw/zinc/51/00/56/569510056.db2.gz ZSBSZFLDUCZATM-UHFFFAOYSA-N 0 0 447.314 3.616 50 0 IHAARN COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000009186316 569510206 /nfs/dbraw/zinc/51/02/06/569510206.db2.gz KQDWRQLIGNCFEK-PXDATVDWSA-N 0 0 446.434 3.924 50 0 IHAARN Cc1c(OCC(=O)NCCCn2ccnc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000009187681 569510418 /nfs/dbraw/zinc/51/04/18/569510418.db2.gz ZBCXFGACCGGJEH-UHFFFAOYSA-N 0 0 445.519 3.782 50 0 IHAARN Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000009192214 569510717 /nfs/dbraw/zinc/51/07/17/569510717.db2.gz XROOIUHGTVNNIW-UHFFFAOYSA-N 0 0 433.331 3.597 50 0 IHAARN Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(Br)c1 ZINC000009200107 569511142 /nfs/dbraw/zinc/51/11/42/569511142.db2.gz JKGXVUMCKCQUCC-GOSISDBHSA-N 0 0 428.282 3.710 50 0 IHAARN CCCCn1c(CN(Cc2ccc(F)cc2)C2CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009201268 569511162 /nfs/dbraw/zinc/51/11/62/569511162.db2.gz MQWKIRFXXRWHLZ-UHFFFAOYSA-N 0 0 430.549 3.788 50 0 IHAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)Nc3cccc(Cl)c3C)ccc21 ZINC000009211627 569511818 /nfs/dbraw/zinc/51/18/18/569511818.db2.gz AAVGQCOIXJZNHJ-CYBMUJFWSA-N 0 0 434.945 3.748 50 0 IHAARN O=C(c1ccccc1Br)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009215849 569512032 /nfs/dbraw/zinc/51/20/32/569512032.db2.gz KECUPNPBRBAMBF-OAHLLOKOSA-N 0 0 442.762 3.932 50 0 IHAARN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000009217925 569512290 /nfs/dbraw/zinc/51/22/90/569512290.db2.gz JGNDKIFMDYAJTF-INIZCTEOSA-N 0 0 447.626 3.815 50 0 IHAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O ZINC000009223411 569512929 /nfs/dbraw/zinc/51/29/29/569512929.db2.gz FEVRTCBXMNDAFR-ZFWWWQNUSA-N 0 0 445.313 3.769 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C ZINC000009226417 569513307 /nfs/dbraw/zinc/51/33/07/569513307.db2.gz ANTMXSHRMWXALC-HUUCEWRRSA-N 0 0 432.567 3.785 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000009226363 569513323 /nfs/dbraw/zinc/51/33/23/569513323.db2.gz CGQVJMVAVPTPJZ-CABCVRRESA-N 0 0 432.567 3.785 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000009227737 569513536 /nfs/dbraw/zinc/51/35/36/569513536.db2.gz NEKZEFQRNAWBDG-UHFFFAOYSA-N 0 0 430.913 3.836 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009236789 569514113 /nfs/dbraw/zinc/51/41/13/569514113.db2.gz XKNYSKAAZPANQM-QZTJIDSGSA-N 0 0 429.933 3.955 50 0 IHAARN CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000009239117 569514478 /nfs/dbraw/zinc/51/44/78/569514478.db2.gz JSZCYAHILMRIFC-UXHICEINSA-N 0 0 439.541 3.646 50 0 IHAARN Cc1ccc(NC(=O)NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)c1 ZINC000009245007 569515214 /nfs/dbraw/zinc/51/52/14/569515214.db2.gz PBODAEZQBMQSFH-UHFFFAOYSA-N 0 0 432.509 3.873 50 0 IHAARN Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(F)c1F ZINC000009249906 569515535 /nfs/dbraw/zinc/51/55/35/569515535.db2.gz LMMYZNQAQZUVFH-AWEZNQCLSA-N 0 0 431.439 3.964 50 0 IHAARN COc1cc(O)ccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C ZINC000009249866 569515540 /nfs/dbraw/zinc/51/55/40/569515540.db2.gz HIGOOGTZQPSGKI-QGZVFWFLSA-N 0 0 437.521 3.569 50 0 IHAARN Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1NC(=O)C[C@@H]2c1cc(F)cc(F)c1 ZINC000009249891 569515551 /nfs/dbraw/zinc/51/55/51/569515551.db2.gz BAONXXQNMLXUCG-MRXNPFEDSA-N 0 0 431.439 3.964 50 0 IHAARN COc1cc(O)ccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(C)c1)n2C ZINC000009249869 569515555 /nfs/dbraw/zinc/51/55/55/569515555.db2.gz RTODLUAOLMEFEK-KRWDZBQOSA-N 0 0 437.521 3.569 50 0 IHAARN CC[C@@H](C(=O)NCCN(CC)c1ccccc1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000009251486 569515919 /nfs/dbraw/zinc/51/59/19/569515919.db2.gz BCMXHWGUCZRQMZ-NRFANRHFSA-N 0 0 431.540 3.551 50 0 IHAARN O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)N1CCCC[C@H]1CCO ZINC000009253199 569516131 /nfs/dbraw/zinc/51/61/31/569516131.db2.gz ZFFGBMCATFBPQG-YXRSGAOBSA-N 0 0 434.945 3.609 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cc2ccccc2oc1=O ZINC000009253363 569516199 /nfs/dbraw/zinc/51/61/99/569516199.db2.gz KBXPFSXOALMTBH-UHFFFAOYSA-N 0 0 438.436 3.985 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009255000 569516468 /nfs/dbraw/zinc/51/64/68/569516468.db2.gz HYOBIWXBWKEIML-UHFFFAOYSA-N 0 0 436.917 3.538 50 0 IHAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009256303 569516710 /nfs/dbraw/zinc/51/67/10/569516710.db2.gz WTUDCVPQRFVKMD-UHFFFAOYSA-N 0 0 446.906 3.809 50 0 IHAARN CC(C)(C)n1nnnc1SCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009257459 569516810 /nfs/dbraw/zinc/51/68/10/569516810.db2.gz MHVCNJFHMKKOSZ-UHFFFAOYSA-N 0 0 445.570 3.586 50 0 IHAARN COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000009257207 569516851 /nfs/dbraw/zinc/51/68/51/569516851.db2.gz JOXNJJGYZZDZFI-UHFFFAOYSA-N 0 0 430.309 3.800 50 0 IHAARN O=C(CSc1nnnn1Cc1ccccc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009257819 569516861 /nfs/dbraw/zinc/51/68/61/569516861.db2.gz MJFCZOZJEJYPDL-FQEVSTJZSA-N 0 0 439.541 3.920 50 0 IHAARN COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc(F)ccc2C)n1C ZINC000009261435 569516934 /nfs/dbraw/zinc/51/69/34/569516934.db2.gz GRBKYPKSCSIWPH-UHFFFAOYSA-N 0 0 430.505 3.889 50 0 IHAARN COc1ccc(OCCSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000009262151 569517050 /nfs/dbraw/zinc/51/70/50/569517050.db2.gz REHLAVBKPVIZFT-UHFFFAOYSA-N 0 0 432.933 3.829 50 0 IHAARN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559422 569546968 /nfs/dbraw/zinc/54/69/68/569546968.db2.gz HBHYAEUAWAHYRH-UHFFFAOYSA-N 0 0 443.388 3.858 50 0 IHAARN CCc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000009276386 569518424 /nfs/dbraw/zinc/51/84/24/569518424.db2.gz ITTJSMLRCZGRQE-UHFFFAOYSA-N 0 0 439.581 3.695 50 0 IHAARN CC(C)c1nc2sc3c(ncnc3N(C[C@@H](C)O)C[C@@H](C)O)c2c2c1COC(C)(C)C2 ZINC000009281667 569518624 /nfs/dbraw/zinc/51/86/24/569518624.db2.gz NXAUCXXODAHPJW-ZIAGYGMSSA-N 0 0 444.601 3.782 50 0 IHAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccc(C)cc1 ZINC000009288948 569519465 /nfs/dbraw/zinc/51/94/65/569519465.db2.gz FXFUUHXHYPLJMP-UHFFFAOYSA-N 0 0 435.509 3.506 50 0 IHAARN CCn1cc2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccccc3)c(=O)c2n1 ZINC000009300022 569520586 /nfs/dbraw/zinc/52/05/86/569520586.db2.gz KVBAVPNREVKPFY-UHFFFAOYSA-N 0 0 433.537 3.700 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccc(F)cc2)cc1 ZINC000009301326 569520679 /nfs/dbraw/zinc/52/06/79/569520679.db2.gz DNXXCGRKBNLCMA-QGZVFWFLSA-N 0 0 425.485 3.889 50 0 IHAARN Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccc4c(c3)CCCC4)n2C)s1 ZINC000009304132 569521104 /nfs/dbraw/zinc/52/11/04/569521104.db2.gz IPUHGHFZBXLXBU-LBPRGKRZSA-N 0 0 444.586 3.552 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 ZINC000009304149 569521112 /nfs/dbraw/zinc/52/11/12/569521112.db2.gz FXBGNFZJYZOWKA-CYBMUJFWSA-N 0 0 428.514 3.627 50 0 IHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000009317232 569522344 /nfs/dbraw/zinc/52/23/44/569522344.db2.gz OJJNWHWXFFYYGC-CQSZACIVSA-N 0 0 449.598 3.846 50 0 IHAARN CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4cc(C)c(C)cc4s3)CC2)cc1 ZINC000009317413 569522361 /nfs/dbraw/zinc/52/23/61/569522361.db2.gz VVYSAEUJUYZUIG-UHFFFAOYSA-N 0 0 443.594 3.669 50 0 IHAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC ZINC000009318601 569522478 /nfs/dbraw/zinc/52/24/78/569522478.db2.gz SYNWKZZOSYIXMM-ZDUSSCGKSA-N 0 0 429.860 3.936 50 0 IHAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009322010 569522647 /nfs/dbraw/zinc/52/26/47/569522647.db2.gz TUUFWSBZOZACLN-HKUYNNGSSA-N 0 0 447.988 3.866 50 0 IHAARN COC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000009325317 569522720 /nfs/dbraw/zinc/52/27/20/569522720.db2.gz DUTPXVIIZKCJFY-UHFFFAOYSA-N 0 0 449.532 3.742 50 0 IHAARN O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 ZINC000070640160 569549024 /nfs/dbraw/zinc/54/90/24/569549024.db2.gz SQMJUQJVDMEDGD-SNVBAGLBSA-N 0 0 430.267 3.541 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000009337751 569523548 /nfs/dbraw/zinc/52/35/48/569523548.db2.gz YUEZYJDNPIXMOC-GOSISDBHSA-N 0 0 437.359 3.858 50 0 IHAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000009337786 569523589 /nfs/dbraw/zinc/52/35/89/569523589.db2.gz ITJYQERRHXOGAB-NRFANRHFSA-N 0 0 436.943 3.592 50 0 IHAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2c(F)cccc2Cl)OCC3)c(=O)n(C)c1=O ZINC000009347864 569524321 /nfs/dbraw/zinc/52/43/21/569524321.db2.gz BDVNQIOYIKWYPU-OAQYLSRUSA-N 0 0 439.874 3.618 50 0 IHAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c(F)c1 ZINC000009351073 569524911 /nfs/dbraw/zinc/52/49/11/569524911.db2.gz HPMCPGUGWLAYTO-UHFFFAOYSA-N 0 0 430.501 3.644 50 0 IHAARN Cc1cn2nc(N3CCC([C@H]4CCCCCN4C(=O)C4CCOCC4)CC3)sc2n1 ZINC000069950723 569525326 /nfs/dbraw/zinc/52/53/26/569525326.db2.gz WLHJNQFMVCLQJC-LJQANCHMSA-N 0 0 431.606 3.513 50 0 IHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CSc3nncn3C)nc(=O)c12 ZINC000009365802 569526182 /nfs/dbraw/zinc/52/61/82/569526182.db2.gz PKZGLVLKAZCVGN-UHFFFAOYSA-N 0 0 440.554 3.583 50 0 IHAARN O=C(NCCCn1ccc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009376757 569527385 /nfs/dbraw/zinc/52/73/85/569527385.db2.gz PJNITENJUBYNCH-UHFFFAOYSA-N 0 0 445.972 3.899 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000009377935 569527585 /nfs/dbraw/zinc/52/75/85/569527585.db2.gz OQGASFNWEALAFO-NRFANRHFSA-N 0 0 442.581 3.601 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1N1CCCCC1=O ZINC000070007889 569527961 /nfs/dbraw/zinc/52/79/61/569527961.db2.gz ABLWYJFDDOVGIU-MRXNPFEDSA-N 0 0 441.553 3.765 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)C(C)(C)C ZINC000009381642 569528176 /nfs/dbraw/zinc/52/81/76/569528176.db2.gz UJTAIFMMVYRMFG-UHFFFAOYSA-N 0 0 429.498 3.617 50 0 IHAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000009382328 569528273 /nfs/dbraw/zinc/52/82/73/569528273.db2.gz IVTYOCZUCRXFEF-UHFFFAOYSA-N 0 0 437.525 3.812 50 0 IHAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000009382540 569528327 /nfs/dbraw/zinc/52/83/27/569528327.db2.gz AEFONHMTZZWCOX-UHFFFAOYSA-N 0 0 437.500 3.506 50 0 IHAARN Cc1noc(C)c1C(=O)OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009385015 569528409 /nfs/dbraw/zinc/52/84/09/569528409.db2.gz BMFWPWGSLQAWOI-UHFFFAOYSA-N 0 0 428.466 3.514 50 0 IHAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009388727 569528587 /nfs/dbraw/zinc/52/85/87/569528587.db2.gz HJWDUEDKGMBGBC-SFHVURJKSA-N 0 0 442.441 3.620 50 0 IHAARN Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)CCOc2ccccc2)c1C(N)=O ZINC000009390704 569528744 /nfs/dbraw/zinc/52/87/44/569528744.db2.gz RHLFBJGVMSSEFD-UHFFFAOYSA-N 0 0 438.505 3.883 50 0 IHAARN O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccccc1C(=O)NC1CC1 ZINC000009393370 569529061 /nfs/dbraw/zinc/52/90/61/569529061.db2.gz YGPKQFHKNXIGHI-UHFFFAOYSA-N 0 0 444.487 3.953 50 0 IHAARN CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000009405327 569529853 /nfs/dbraw/zinc/52/98/53/569529853.db2.gz HHNMAJZOMPMMEI-UHFFFAOYSA-N 0 0 449.511 3.667 50 0 IHAARN Cn1c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2nc1SCc1ccc(F)cc1 ZINC000009406232 569530020 /nfs/dbraw/zinc/53/00/20/569530020.db2.gz XFZZHCWXXVYIIL-UHFFFAOYSA-N 0 0 441.528 3.984 50 0 IHAARN Cc1ccccc1NC(=O)CCc1c(C)nc2nc(CNC(=O)OC(C)(C)C)nn2c1C ZINC000009407418 569530211 /nfs/dbraw/zinc/53/02/11/569530211.db2.gz DLKIHACXHOTTQX-UHFFFAOYSA-N 0 0 438.532 3.646 50 0 IHAARN COC(=O)c1ccc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)cc1 ZINC000009407834 569530334 /nfs/dbraw/zinc/53/03/34/569530334.db2.gz JADIHYTXBGJUAV-UHFFFAOYSA-N 0 0 431.496 3.869 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCC3)c(OC)c1 ZINC000009407927 569530376 /nfs/dbraw/zinc/53/03/76/569530376.db2.gz LSSKNCNMRFGQKB-UHFFFAOYSA-N 0 0 439.487 3.773 50 0 IHAARN COc1cccc(C(=O)c2cnc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(C)n23)c1 ZINC000009409619 569531042 /nfs/dbraw/zinc/53/10/42/569531042.db2.gz COQISGAMSYTBLK-UHFFFAOYSA-N 0 0 449.488 3.603 50 0 IHAARN CCn1c(=S)sc2c1nc(C)n(CC(=O)N1CCC(Cc3ccccc3)CC1)c2=O ZINC000009409831 569531150 /nfs/dbraw/zinc/53/11/50/569531150.db2.gz JYGWYQVZQBAJFB-UHFFFAOYSA-N 0 0 442.610 3.799 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c(OC)c1 ZINC000009409920 569531219 /nfs/dbraw/zinc/53/12/19/569531219.db2.gz IKPPGELCOGXEJU-IBGZPJMESA-N 0 0 437.525 3.945 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/nfs/dbraw/zinc/53/28/08/569532808.db2.gz RFKBVNJMGWTFTI-UHFFFAOYSA-N 0 0 426.322 3.894 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000009425350 569533233 /nfs/dbraw/zinc/53/32/33/569533233.db2.gz AWTQLNIWUFDSID-UHFFFAOYSA-N 0 0 449.743 3.920 50 0 IHAARN O=C(NC(=S)Nc1ccc(I)cn1)c1cccc2ccccc21 ZINC000009428628 569533529 /nfs/dbraw/zinc/53/35/29/569533529.db2.gz RGJKZVXOXOHPQU-UHFFFAOYSA-N 0 0 433.274 3.966 50 0 IHAARN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000009429871 569533788 /nfs/dbraw/zinc/53/37/88/569533788.db2.gz RENCNMIZHPLBPE-TUNPGAEXSA-N 0 0 438.549 3.566 50 0 IHAARN CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C ZINC000009430975 569534020 /nfs/dbraw/zinc/53/40/20/569534020.db2.gz ODJAADPNHKEYBI-GOSISDBHSA-N 0 0 441.962 3.854 50 0 IHAARN CCn1c2nnc(CCCC(=O)N[C@@H](C)CCc3ccccc3)n2c2ccsc2c1=O ZINC000009431384 569534129 /nfs/dbraw/zinc/53/41/29/569534129.db2.gz KRYCOHUODJJIAJ-INIZCTEOSA-N 0 0 437.569 3.586 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1C ZINC000009439522 569535052 /nfs/dbraw/zinc/53/50/52/569535052.db2.gz KCOWZJVWDSEXQU-LZJOCLMNSA-N 0 0 444.553 3.585 50 0 IHAARN C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(Cl)c3)cc2NC1=O ZINC000009440926 569535336 /nfs/dbraw/zinc/53/53/36/569535336.db2.gz IPWMSUDSAVVFDI-JTQLQIEISA-N 0 0 442.921 3.714 50 0 IHAARN CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000009442388 569535529 /nfs/dbraw/zinc/53/55/29/569535529.db2.gz DGLILTHQJPKSPZ-UHFFFAOYSA-N 0 0 444.553 3.609 50 0 IHAARN O=C(CSc1ncnc2n[nH]cc21)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000009444075 569535750 /nfs/dbraw/zinc/53/57/50/569535750.db2.gz ZBYNHBLIBWDYEN-UHFFFAOYSA-N 0 0 447.343 3.970 50 0 IHAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000009461773 569537147 /nfs/dbraw/zinc/53/71/47/569537147.db2.gz AERYXTFZIXLXKV-IBGZPJMESA-N 0 0 441.329 3.726 50 0 IHAARN CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)sc1C ZINC000009463187 569537430 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IHAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009484320 569539528 /nfs/dbraw/zinc/53/95/28/569539528.db2.gz ITTUTLVLAZFQBU-LLVKDONJSA-N 0 0 438.962 3.586 50 0 IHAARN Cc1c2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2oc1C(=O)c1ccccc1 ZINC000009486549 569539668 /nfs/dbraw/zinc/53/96/68/569539668.db2.gz XYMIWPULCQDXHF-UHFFFAOYSA-N 0 0 438.443 3.716 50 0 IHAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)c4ccc(Cl)cc4)n3N)n[nH]2)cc1 ZINC000009488614 569539973 /nfs/dbraw/zinc/53/99/73/569539973.db2.gz WLFDPRARIHNFLS-UHFFFAOYSA-N 0 0 440.916 3.686 50 0 IHAARN Nn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1Cl ZINC000009492221 569540483 /nfs/dbraw/zinc/54/04/83/569540483.db2.gz SUVKOHCQCIBMCE-UHFFFAOYSA-N 0 0 431.993 3.737 50 0 IHAARN COCCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009506946 569541895 /nfs/dbraw/zinc/54/18/95/569541895.db2.gz FFMOLAXDMBVILT-UHFFFAOYSA-N 0 0 446.960 3.662 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000009507140 569541988 /nfs/dbraw/zinc/54/19/88/569541988.db2.gz XRIXUGVFAUQZRR-UHFFFAOYSA-N 0 0 436.533 3.523 50 0 IHAARN CCCCn1c(N)c(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCCC2)c(=O)[nH]c1=O ZINC000009507294 569542032 /nfs/dbraw/zinc/54/20/32/569542032.db2.gz IRFGHGYMVGZRLI-UHFFFAOYSA-N 0 0 439.343 3.815 50 0 IHAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O ZINC000009508374 569542287 /nfs/dbraw/zinc/54/22/87/569542287.db2.gz KDCMZTNMQYZFNI-SFHVURJKSA-N 0 0 428.222 3.677 50 0 IHAARN COc1ccccc1Nc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1 ZINC000009508530 569542341 /nfs/dbraw/zinc/54/23/41/569542341.db2.gz WAXFPXASBNZFBA-UHFFFAOYSA-N 0 0 433.490 3.870 50 0 IHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(C2CC2)n1N ZINC000009509276 569542529 /nfs/dbraw/zinc/54/25/29/569542529.db2.gz NLBARCSBNVIENH-UHFFFAOYSA-N 0 0 443.554 3.505 50 0 IHAARN O=C(CCNC(=O)c1ccccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009512189 569542915 /nfs/dbraw/zinc/54/29/15/569542915.db2.gz LJXFEBVWMCOVPY-LJQANCHMSA-N 0 0 428.916 3.985 50 0 IHAARN CN(c1ccc(OCC(=O)NC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1F ZINC000009512323 569542948 /nfs/dbraw/zinc/54/29/48/569542948.db2.gz FSWIGDCJKOGAPF-UHFFFAOYSA-N 0 0 434.533 3.869 50 0 IHAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O ZINC000009516886 569543560 /nfs/dbraw/zinc/54/35/60/569543560.db2.gz VHXPKHQMNJYWAF-UHFFFAOYSA-N 0 0 425.529 3.671 50 0 IHAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009517886 569543829 /nfs/dbraw/zinc/54/38/29/569543829.db2.gz DXNLLYKMVOEBBR-CQSZACIVSA-N 0 0 428.514 3.961 50 0 IHAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CS(=O)(=O)C2 ZINC000009518011 569543846 /nfs/dbraw/zinc/54/38/46/569543846.db2.gz WKYBAGWBXVRIAZ-UHFFFAOYSA-N 0 0 435.427 3.880 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000009532587 569545387 /nfs/dbraw/zinc/54/53/87/569545387.db2.gz FYDAYUIKOPIWFJ-WXTAPIANSA-N 0 0 429.520 3.744 50 0 IHAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C)ccc4C)n3N)n[nH]2)cc1 ZINC000009541399 569545904 /nfs/dbraw/zinc/54/59/04/569545904.db2.gz ZQRJZRJTFXRDHI-UHFFFAOYSA-N 0 0 433.541 3.705 50 0 IHAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3N)n[nH]2)cc1 ZINC000009541670 569545926 /nfs/dbraw/zinc/54/59/26/569545926.db2.gz OKIZTNGMFMYBJB-UHFFFAOYSA-N 0 0 433.541 3.705 50 0 IHAARN COc1cc(OC)c(NC(=O)[C@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl ZINC000009544901 569546045 /nfs/dbraw/zinc/54/60/45/569546045.db2.gz JISGBUZOVZWBOK-YJYMSZOUSA-N 0 0 438.958 3.948 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000009548461 569546429 /nfs/dbraw/zinc/54/64/29/569546429.db2.gz LDBRWNBMPZAOKG-CJAUYULYSA-N 0 0 449.507 3.680 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)N3CCC(C)CC3)n(CCc3ccccc3)c(=O)c2S1 ZINC000009560104 569546997 /nfs/dbraw/zinc/54/69/97/569546997.db2.gz SHFWADDKIUQRFI-KRWDZBQOSA-N 0 0 443.638 3.873 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000009559521 569547000 /nfs/dbraw/zinc/54/70/00/569547000.db2.gz WBEFOXDTGGZOFZ-UHFFFAOYSA-N 0 0 437.768 3.732 50 0 IHAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570738 569547634 /nfs/dbraw/zinc/54/76/34/569547634.db2.gz PZAZHSHYCYWTOP-AWEZNQCLSA-N 0 0 443.960 3.838 50 0 IHAARN Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1-c1cccc(C)c1 ZINC000009572963 569547761 /nfs/dbraw/zinc/54/77/61/569547761.db2.gz GSEXUJLNPXFAHG-UHFFFAOYSA-N 0 0 441.582 3.654 50 0 IHAARN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000009576780 569548102 /nfs/dbraw/zinc/54/81/02/569548102.db2.gz VHLPDVWELHYNQE-GOSISDBHSA-N 0 0 426.476 3.755 50 0 IHAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCCc2ccccc21 ZINC000009577686 569548235 /nfs/dbraw/zinc/54/82/35/569548235.db2.gz ZQMBMPBUWSDCJL-FQEVSTJZSA-N 0 0 437.492 3.548 50 0 IHAARN CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009581167 569549112 /nfs/dbraw/zinc/54/91/12/569549112.db2.gz NNMVZZVQAZYSHE-RUZDIDTESA-N 0 0 447.560 3.787 50 0 IHAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)CCCC2 ZINC000009581686 569549159 /nfs/dbraw/zinc/54/91/59/569549159.db2.gz HYJPFYACUTXPFZ-QMTYFTJSSA-N 0 0 445.519 3.956 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000009586932 569549735 /nfs/dbraw/zinc/54/97/35/569549735.db2.gz XONRNBBUGHOVSD-UHFFFAOYSA-N 0 0 431.444 3.890 50 0 IHAARN COc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3cccc4ccccc43)O2)cc1OC ZINC000009587238 569549760 /nfs/dbraw/zinc/54/97/60/569549760.db2.gz YEOWLGRLEJDTOS-DEOSSOPVSA-N 0 0 447.491 3.777 50 0 IHAARN CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccccc2)s1 ZINC000009589068 569549962 /nfs/dbraw/zinc/54/99/62/569549962.db2.gz OODZKTRMLCZXNB-UHFFFAOYSA-N 0 0 443.554 3.799 50 0 IHAARN CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000009598658 569551040 /nfs/dbraw/zinc/55/10/40/569551040.db2.gz NXFYSNHBVOTFNN-UHFFFAOYSA-N 0 0 435.505 3.560 50 0 IHAARN Cc1cc(Oc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)cc(C)c1Cl ZINC000009601597 569551645 /nfs/dbraw/zinc/55/16/45/569551645.db2.gz AOUHASLIPRCJAI-UHFFFAOYSA-N 0 0 442.878 3.684 50 0 biogenic IHAARN Cc1cc(Cl)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000009601592 569551676 /nfs/dbraw/zinc/55/16/76/569551676.db2.gz ANYZNVAJWJRWJS-UHFFFAOYSA-N 0 0 445.306 3.890 50 0 biogenic IHAARN COC(=O)c1nc2n(n1)[C@H](c1ccc(OC)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000009608850 569552264 /nfs/dbraw/zinc/55/22/64/569552264.db2.gz DRUNTIHZPWTBOT-HXUWFJFHSA-N 0 0 447.495 3.618 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000009612629 569552894 /nfs/dbraw/zinc/55/28/94/569552894.db2.gz ZGNCRWWHASEBNQ-INIZCTEOSA-N 0 0 444.887 3.657 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCCc2ccc(OC)cc2)c1 ZINC000009613520 569553041 /nfs/dbraw/zinc/55/30/41/569553041.db2.gz PHORPZXCQIJVEU-UHFFFAOYSA-N 0 0 435.615 3.563 50 0 IHAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NC1CCCC1 ZINC000009616940 569553376 /nfs/dbraw/zinc/55/33/76/569553376.db2.gz KEOLJSISWRIVJZ-UHFFFAOYSA-N 0 0 439.943 3.704 50 0 IHAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2NC1=O ZINC000009619675 569553383 /nfs/dbraw/zinc/55/33/83/569553383.db2.gz OIGSHKMSQNREAG-INIZCTEOSA-N 0 0 439.475 3.965 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000009619527 569553415 /nfs/dbraw/zinc/55/34/15/569553415.db2.gz GVFXFSIJTXUTHD-UHFFFAOYSA-N 0 0 444.520 3.954 50 0 IHAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009631675 569553831 /nfs/dbraw/zinc/55/38/31/569553831.db2.gz LWXKHQJJWNUWIR-UHFFFAOYSA-N 0 0 436.533 3.556 50 0 IHAARN CC(C)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccccc1F ZINC000009632080 569553897 /nfs/dbraw/zinc/55/38/97/569553897.db2.gz UIBBUSSHWZSWBX-UHFFFAOYSA-N 0 0 433.534 3.631 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl ZINC000009633368 569554225 /nfs/dbraw/zinc/55/42/25/569554225.db2.gz WDWRERYJYMIHNN-UHFFFAOYSA-N 0 0 429.951 3.590 50 0 IHAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3C2=O)cc1 ZINC000009633649 569554263 /nfs/dbraw/zinc/55/42/63/569554263.db2.gz TYTRZYZYLVWMIE-UHFFFAOYSA-N 0 0 439.431 3.574 50 0 IHAARN CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)S(=O)(=O)c1cccs1 ZINC000009634631 569554501 /nfs/dbraw/zinc/55/45/01/569554501.db2.gz LLESEMCNOVAUDQ-UHFFFAOYSA-N 0 0 432.552 3.612 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000009637977 569554917 /nfs/dbraw/zinc/55/49/17/569554917.db2.gz CUCNPOJWUBVZGY-INIZCTEOSA-N 0 0 431.558 3.577 50 0 IHAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1=O ZINC000009640317 569555413 /nfs/dbraw/zinc/55/54/13/569555413.db2.gz BMCXIJOMUUMNQI-QFIPXVFZSA-N 0 0 436.855 3.680 50 0 IHAARN COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000009645950 569556181 /nfs/dbraw/zinc/55/61/81/569556181.db2.gz LJQRQCLDOCTTKL-UHFFFAOYSA-N 0 0 444.534 3.677 50 0 IHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000009646645 569556319 /nfs/dbraw/zinc/55/63/19/569556319.db2.gz CXKZLRZZVMSKMT-RUZDIDTESA-N 0 0 433.508 3.638 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000009647720 569556420 /nfs/dbraw/zinc/55/64/20/569556420.db2.gz KGFAHPZMKNUHLQ-XMMPIXPASA-N 0 0 429.520 3.503 50 0 IHAARN COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000009660608 569556892 /nfs/dbraw/zinc/55/68/92/569556892.db2.gz BGPPIKODIUCVIT-UHFFFAOYSA-N 0 0 441.409 3.682 50 0 IHAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661245 569557054 /nfs/dbraw/zinc/55/70/54/569557054.db2.gz DVRKPFUVCAJKDU-UHFFFAOYSA-N 0 0 449.396 3.979 50 0 IHAARN COc1ccc(CNC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000009662189 569557095 /nfs/dbraw/zinc/55/70/95/569557095.db2.gz CMNRUCMIYQASCW-UHFFFAOYSA-N 0 0 433.599 3.747 50 0 IHAARN Cc1ccc(C)c(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 ZINC000009664143 569557388 /nfs/dbraw/zinc/55/73/88/569557388.db2.gz DWHHJBAOZDTQDY-MRXNPFEDSA-N 0 0 446.554 3.597 50 0 IHAARN Cc1ccc2c(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)cc(=O)oc2c1 ZINC000009664576 569557394 /nfs/dbraw/zinc/55/73/94/569557394.db2.gz VHLWFBKKEJOKNW-NRFANRHFSA-N 0 0 441.281 3.831 50 0 IHAARN C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009665479 569557570 /nfs/dbraw/zinc/55/75/70/569557570.db2.gz LBPIKMATQMXNBO-NSHDSACASA-N 0 0 428.794 3.659 50 0 IHAARN CC[C@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000009665756 569557600 /nfs/dbraw/zinc/55/76/00/569557600.db2.gz JJOLBJYXRUYBPH-AAEUAGOBSA-N 0 0 433.020 3.856 50 0 IHAARN O=C(CSc1ncccc1C(=O)NCc1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000009665905 569557629 /nfs/dbraw/zinc/55/76/29/569557629.db2.gz GYNYBXDNJLMEJH-UHFFFAOYSA-N 0 0 439.468 3.610 50 0 IHAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)nc2c1 ZINC000009669523 569558073 /nfs/dbraw/zinc/55/80/73/569558073.db2.gz ZWIMGUDJQZRSDI-UHFFFAOYSA-N 0 0 439.946 3.749 50 0 IHAARN COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)cc1 ZINC000009669744 569558096 /nfs/dbraw/zinc/55/80/96/569558096.db2.gz CDJACBAFJBDSID-AREMUKBSSA-N 0 0 441.487 3.813 50 0 IHAARN Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(COC(=O)c2c(C)cc(=O)oc2C)cc1 ZINC000009670301 569558273 /nfs/dbraw/zinc/55/82/73/569558273.db2.gz GODPKZJVVKAAOX-UHFFFAOYSA-N 0 0 438.432 3.541 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O ZINC000009671854 569558691 /nfs/dbraw/zinc/55/86/91/569558691.db2.gz YGUUTTDEXUENTQ-NZQKXSOJSA-N 0 0 441.528 3.647 50 0 IHAARN COc1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)c(OC)c1 ZINC000009673373 569558936 /nfs/dbraw/zinc/55/89/36/569558936.db2.gz BUMTZZLFZQAREJ-UHFFFAOYSA-N 0 0 440.496 3.944 50 0 IHAARN CCCN(CCC)C(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000009673593 569558954 /nfs/dbraw/zinc/55/89/54/569558954.db2.gz WVKOVYWXFAPSQT-UHFFFAOYSA-N 0 0 446.551 3.601 50 0 IHAARN COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)cc1 ZINC000009691082 569560997 /nfs/dbraw/zinc/56/09/97/569560997.db2.gz WCSIWESEXUSEKW-UHFFFAOYSA-N 0 0 437.540 3.794 50 0 IHAARN COc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1F ZINC000009691094 569561009 /nfs/dbraw/zinc/56/10/09/569561009.db2.gz KMTSDIOIWRRXHC-UHFFFAOYSA-N 0 0 446.478 3.793 50 0 IHAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000009703176 569561294 /nfs/dbraw/zinc/56/12/94/569561294.db2.gz YVRJJDMZLYTSAG-UHFFFAOYSA-N 0 0 428.466 3.631 50 0 IHAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000009703877 569561435 /nfs/dbraw/zinc/56/14/35/569561435.db2.gz CTRSGELSVUQACM-UHFFFAOYSA-N 0 0 431.466 3.552 50 0 IHAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1I ZINC000009709696 569561997 /nfs/dbraw/zinc/56/19/97/569561997.db2.gz ZPESRFKODOOEPY-UHFFFAOYSA-N 0 0 431.237 3.532 50 0 IHAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009712551 569562319 /nfs/dbraw/zinc/56/23/19/569562319.db2.gz POLKYWZBNWCNBL-LJQANCHMSA-N 0 0 428.916 3.985 50 0 IHAARN CCn1c(CCC(=O)Nc2ccc(C)cc2Cl)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009715130 569562995 /nfs/dbraw/zinc/56/29/95/569562995.db2.gz SXNFGIXSVMEPNW-UHFFFAOYSA-N 0 0 448.976 3.840 50 0 IHAARN O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009715553 569563069 /nfs/dbraw/zinc/56/30/69/569563069.db2.gz PBJCNGSGMHSRJX-UHFFFAOYSA-N 0 0 438.505 3.579 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009716306 569563189 /nfs/dbraw/zinc/56/31/89/569563189.db2.gz FJPKSJUXXSGEEA-NRFANRHFSA-N 0 0 444.553 3.671 50 0 IHAARN Cc1nn(Cc2nc(-c3ccccc3C)no2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000009721745 569563455 /nfs/dbraw/zinc/56/34/55/569563455.db2.gz SFRWOPGKFFAYDX-UHFFFAOYSA-N 0 0 449.536 3.658 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(C(C)C)cc1 ZINC000009723803 569563620 /nfs/dbraw/zinc/56/36/20/569563620.db2.gz RMDLXMZXKNTJQZ-UHFFFAOYSA-N 0 0 447.582 3.988 50 0 IHAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3sccc3C(N)=O)n2n1 ZINC000009731560 569564601 /nfs/dbraw/zinc/56/46/01/569564601.db2.gz SOFWVQXRODUWLO-UHFFFAOYSA-N 0 0 437.550 3.904 50 0 IHAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)c1 ZINC000009738488 569564907 /nfs/dbraw/zinc/56/49/07/569564907.db2.gz IXGGSGQUNJBPFO-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2ccc(Cl)c(Cl)c2)nc3C(N)=O)cc1 ZINC000009739070 569564970 /nfs/dbraw/zinc/56/49/70/569564970.db2.gz IKOLNADDRSVUCY-UHFFFAOYSA-N 0 0 444.278 3.580 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 ZINC000009741846 569565310 /nfs/dbraw/zinc/56/53/10/569565310.db2.gz IOPKRUBSAUGIEE-IBGZPJMESA-N 0 0 439.555 3.689 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)cc1 ZINC000009761403 569566222 /nfs/dbraw/zinc/56/62/22/569566222.db2.gz FRDHGKNOFHHSDX-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1Cl ZINC000009761468 569566265 /nfs/dbraw/zinc/56/62/65/569566265.db2.gz NAKCHMXKNFJMKI-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000009763848 569566687 /nfs/dbraw/zinc/56/66/87/569566687.db2.gz IMWJWQJTNLGXRJ-OAHLLOKOSA-N 0 0 435.567 3.918 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000009767665 569566938 /nfs/dbraw/zinc/56/69/38/569566938.db2.gz CBYKGZADSAMCOF-UHFFFAOYSA-N 0 0 438.549 3.853 50 0 IHAARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000009778752 569567287 /nfs/dbraw/zinc/56/72/87/569567287.db2.gz HJODDZXXUPGWNE-FCHUYYIVSA-N 0 0 446.434 3.596 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ncnc3sccc32)cc1 ZINC000009781966 569567680 /nfs/dbraw/zinc/56/76/80/569567680.db2.gz KENNAENWWNBWDS-UHFFFAOYSA-N 0 0 434.477 3.970 50 0 IHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000009794330 569568385 /nfs/dbraw/zinc/56/83/85/569568385.db2.gz XXQCECFECYVHLC-LJQANCHMSA-N 0 0 437.583 3.705 50 0 IHAARN CCn1c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2nc(C)c1=O ZINC000009813499 569569105 /nfs/dbraw/zinc/56/91/05/569569105.db2.gz AFWVPMIEZYBHDU-UHFFFAOYSA-N 0 0 442.523 3.962 50 0 IHAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000009833436 569570310 /nfs/dbraw/zinc/57/03/10/569570310.db2.gz YQDNYBHBVQCQTE-UHFFFAOYSA-N 0 0 428.941 3.791 50 0 IHAARN CCCCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O ZINC000009833875 569570417 /nfs/dbraw/zinc/57/04/17/569570417.db2.gz QVGCWOQHXOABGF-UHFFFAOYSA-N 0 0 445.516 3.730 50 0 IHAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000009841001 569570833 /nfs/dbraw/zinc/57/08/33/569570833.db2.gz KKZBMPOTHKUKNA-UHFFFAOYSA-N 0 0 431.444 3.945 50 0 IHAARN CCc1nn(CC(=O)NCCCSC2CCCCC2)c(=O)c2cc3sccc3n21 ZINC000009848550 569571259 /nfs/dbraw/zinc/57/12/59/569571259.db2.gz QIHRERBLQHWDRT-UHFFFAOYSA-N 0 0 432.615 3.845 50 0 IHAARN O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(C(F)(F)F)c1 ZINC000009852933 569571450 /nfs/dbraw/zinc/57/14/50/569571450.db2.gz FGADENLORQARJI-UHFFFAOYSA-N 0 0 441.406 3.659 50 0 IHAARN COc1cc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)cc(OC)c1 ZINC000009855575 569571481 /nfs/dbraw/zinc/57/14/81/569571481.db2.gz DMBSCCAAJHSNJR-UHFFFAOYSA-N 0 0 442.471 3.888 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cnc(SC)n1-c1ccccc1 ZINC000009858619 569571740 /nfs/dbraw/zinc/57/17/40/569571740.db2.gz MXDWYMJGYPXYCI-UHFFFAOYSA-N 0 0 444.944 3.967 50 0 IHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009861710 569572018 /nfs/dbraw/zinc/57/20/18/569572018.db2.gz QVFLEOGVVNTOCN-UHFFFAOYSA-N 0 0 433.512 3.755 50 0 IHAARN Cc1[nH]c2ccc(C(=O)N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2c1C ZINC000009865244 569572165 /nfs/dbraw/zinc/57/21/65/569572165.db2.gz AXEISAYFNCWVCV-UHFFFAOYSA-N 0 0 425.554 3.630 50 0 IHAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C ZINC000009865499 569572188 /nfs/dbraw/zinc/57/21/88/569572188.db2.gz FFTJETUPBFDADB-SANMLTNESA-N 0 0 442.471 3.710 50 0 IHAARN Cc1csc(=O)n1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000009871976 569572449 /nfs/dbraw/zinc/57/24/49/569572449.db2.gz UJBCKAQMFZNNRI-HXUWFJFHSA-N 0 0 434.565 3.714 50 0 IHAARN Cc1sc2ncn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c(=O)c2c1C ZINC000009884551 569572727 /nfs/dbraw/zinc/57/27/27/569572727.db2.gz NCJHUNPIVIWKPO-KRWDZBQOSA-N 0 0 439.537 3.600 50 0 IHAARN C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009885188 569572855 /nfs/dbraw/zinc/57/28/55/569572855.db2.gz RRJPGNQBBYAOSV-LLVKDONJSA-N 0 0 430.530 3.780 50 0 IHAARN COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC000009885475 569572884 /nfs/dbraw/zinc/57/28/84/569572884.db2.gz DSDPXVDQLAXLPP-UKRRQHHQSA-N 0 0 436.430 3.953 50 0 IHAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009919352 569573466 /nfs/dbraw/zinc/57/34/66/569573466.db2.gz AXOUJIHXFCUHSX-INIZCTEOSA-N 0 0 428.510 3.566 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NC(C)C)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936534 569573781 /nfs/dbraw/zinc/57/37/81/569573781.db2.gz VNTNFCLTJKCLKO-SFTDATJTSA-N 0 0 428.554 3.861 50 0 IHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(SC)nn32)cc1 ZINC000009942448 569574044 /nfs/dbraw/zinc/57/40/44/569574044.db2.gz BEJSRJXRUAQJJK-IBGZPJMESA-N 0 0 437.525 3.945 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2ccco2)o1 ZINC000009949436 569574301 /nfs/dbraw/zinc/57/43/01/569574301.db2.gz KHMUQIRUUKPTOV-UHFFFAOYSA-N 0 0 431.499 3.972 50 0 IHAARN Nc1c(N(CCC2=CCCCC2)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000009951093 569574458 /nfs/dbraw/zinc/57/44/58/569574458.db2.gz KDSDOPNLMKXCBP-UHFFFAOYSA-N 0 0 436.556 3.581 50 0 IHAARN COc1cc(CNC(=O)CN2c3ccccc3OCCC2=O)ccc1OCc1ccccc1 ZINC000009951553 569574497 /nfs/dbraw/zinc/57/44/97/569574497.db2.gz SKGQAOXFHGQDHP-UHFFFAOYSA-N 0 0 446.503 3.706 50 0 IHAARN Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000009951428 569574526 /nfs/dbraw/zinc/57/45/26/569574526.db2.gz OVHCTYCZZKIJKB-UHFFFAOYSA-N 0 0 438.505 3.616 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000009956836 569574730 /nfs/dbraw/zinc/57/47/30/569574730.db2.gz PFKLGEWIERUPQW-QHCPKHFHSA-N 0 0 440.565 3.654 50 0 IHAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1Cl ZINC000071327224 569575195 /nfs/dbraw/zinc/57/51/95/569575195.db2.gz OEBNHWUKUBKSAP-UHFFFAOYSA-N 0 0 431.855 3.587 50 0 IHAARN COc1cccc(NC(=O)[C@H](OC(=O)CCn2c(C)csc2=O)c2ccccc2)c1 ZINC000009960855 569575468 /nfs/dbraw/zinc/57/54/68/569575468.db2.gz YKWRFEDRSUJOKG-HXUWFJFHSA-N 0 0 426.494 3.540 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000009961959 569575615 /nfs/dbraw/zinc/57/56/15/569575615.db2.gz CVUFARQPXIVKLF-GOSISDBHSA-N 0 0 443.956 3.605 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc2C1=O ZINC000009961707 569575625 /nfs/dbraw/zinc/57/56/25/569575625.db2.gz YRXIITIUAZSRLE-GFCCVEGCSA-N 0 0 439.537 3.620 50 0 IHAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 ZINC000009963077 569575740 /nfs/dbraw/zinc/57/57/40/569575740.db2.gz SSPVNNSHVYHZDL-MRXNPFEDSA-N 0 0 443.500 3.574 50 0 IHAARN O=C(NCCOCCONC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl ZINC000009971415 569576259 /nfs/dbraw/zinc/57/62/59/569576259.db2.gz IQFDQHBUOAIOOJ-UHFFFAOYSA-N 0 0 427.288 3.885 50 0 IHAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000009971988 569576330 /nfs/dbraw/zinc/57/63/30/569576330.db2.gz JOBKIPLYEJEMHH-SCTDSRPQSA-N 0 0 446.569 3.507 50 0 IHAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000009971990 569576338 /nfs/dbraw/zinc/57/63/38/569576338.db2.gz JOBKIPLYEJEMHH-ZIFCJYIRSA-N 0 0 446.569 3.507 50 0 IHAARN O=C(Cc1c[nH]c2ccccc12)N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009972694 569576367 /nfs/dbraw/zinc/57/63/67/569576367.db2.gz OKEGKYSMTOELRZ-VWLOTQADSA-N 0 0 441.487 3.978 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009972141 569576389 /nfs/dbraw/zinc/57/63/89/569576389.db2.gz RVPPLRYGHZCLEX-KRWDZBQOSA-N 0 0 428.337 3.588 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CSc1nc[nH]n1 ZINC000009984287 569576688 /nfs/dbraw/zinc/57/66/88/569576688.db2.gz DJSVZGDLFMIECV-UHFFFAOYSA-N 0 0 431.905 3.758 50 0 IHAARN O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009991831 569576909 /nfs/dbraw/zinc/57/69/09/569576909.db2.gz CZCUPPWWXYWJQU-FQEVSTJZSA-N 0 0 436.899 3.746 50 0 IHAARN O=C([C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1)N1CCCC1 ZINC000010037748 569577454 /nfs/dbraw/zinc/57/74/54/569577454.db2.gz OWQWOPKIQIRBIQ-OAQYLSRUSA-N 0 0 445.610 3.712 50 0 IHAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000010186920 569578513 /nfs/dbraw/zinc/57/85/13/569578513.db2.gz CGCXXVAWVPROMH-UHFFFAOYSA-N 0 0 426.947 3.644 50 0 IHAARN CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213886 569579107 /nfs/dbraw/zinc/57/91/07/569579107.db2.gz OVZMTMRKPMIASY-IBGZPJMESA-N 0 0 439.899 3.951 50 0 IHAARN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000010222771 569579258 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3.746 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000009364855 132314369 /nfs/dbraw/zinc/31/43/69/132314369.db2.gz HEAZNVMKQPDBRW-UHFFFAOYSA-N 0 0 440.503 3.783 50 0 IHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009421413 132316321 /nfs/dbraw/zinc/31/63/21/132316321.db2.gz ABLCYXLJOGTQNO-JTQLQIEISA-N 0 0 440.813 3.760 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(Cl)cc12 ZINC000009433814 132317333 /nfs/dbraw/zinc/31/73/33/132317333.db2.gz VRDIENRVHZWTDP-UHFFFAOYSA-N 0 0 430.863 3.622 50 0 IHAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000009469642 132318769 /nfs/dbraw/zinc/31/87/69/132318769.db2.gz KKPZGRXVKBVFSW-XMMPIXPASA-N 0 0 431.511 3.516 50 0 IHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c(C)c1 ZINC000009471646 132318918 /nfs/dbraw/zinc/31/89/18/132318918.db2.gz OKIIFKCADHEHHC-UHFFFAOYSA-N 0 0 438.597 3.735 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009491516 132319362 /nfs/dbraw/zinc/31/93/62/132319362.db2.gz KDRUMEDCQBGSMD-UHFFFAOYSA-N 0 0 427.353 3.506 50 0 IHAARN COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1OC ZINC000009510772 132319923 /nfs/dbraw/zinc/31/99/23/132319923.db2.gz WFTPHNSOZDSGBG-HNNXBMFYSA-N 0 0 429.856 3.697 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000009512670 132320094 /nfs/dbraw/zinc/32/00/94/132320094.db2.gz HCKNOQHLHWFKAO-CQSZACIVSA-N 0 0 448.552 3.920 50 0 IHAARN CN1c2cc(C(=O)NCc3cccc(Br)c3)ccc2N2CCCC[C@H]2C1=O ZINC000009528844 132320557 /nfs/dbraw/zinc/32/05/57/132320557.db2.gz BGDZQNHGEGOSJI-SFHVURJKSA-N 0 0 428.330 3.714 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000009548553 132321196 /nfs/dbraw/zinc/32/11/96/132321196.db2.gz MANLGLXBQGIGNS-NRFANRHFSA-N 0 0 436.600 3.973 50 0 IHAARN C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009549012 132321220 /nfs/dbraw/zinc/32/12/20/132321220.db2.gz MCSKGBFMFLDGRI-INIZCTEOSA-N 0 0 447.988 3.904 50 0 IHAARN Cn1c2cc(NC(=O)COc3ccc(Cl)cc3)c(N3CCCCC3)cc2n(C)c1=O ZINC000009561483 132321554 /nfs/dbraw/zinc/32/15/54/132321554.db2.gz YOHJEDKTXPOJDP-UHFFFAOYSA-N 0 0 428.920 3.538 50 0 IHAARN Cc1ccc(-c2noc(CCCCCNC(=O)CCN3C(=O)COc4ccccc43)n2)cc1 ZINC000009577428 132322143 /nfs/dbraw/zinc/32/21/43/132322143.db2.gz MUTMAZYOSZPYPL-UHFFFAOYSA-N 0 0 448.523 3.690 50 0 IHAARN CC(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)Oc2ccccc21 ZINC000009593270 132322530 /nfs/dbraw/zinc/32/25/30/132322530.db2.gz QRACRHRYZWOLTI-HSZRJFAPSA-N 0 0 429.476 4.000 50 0 IHAARN Cn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c1c1ccccc1n(C)c2=O ZINC000009611622 132323486 /nfs/dbraw/zinc/32/34/86/132323486.db2.gz VQVFLGDKGQFVPB-UHFFFAOYSA-N 0 0 434.927 3.646 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000009635525 132324125 /nfs/dbraw/zinc/32/41/25/132324125.db2.gz VGDVGOZAAGYKNH-GOSISDBHSA-N 0 0 439.556 3.710 50 0 IHAARN O=C(c1ccccc1Br)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009660540 132324899 /nfs/dbraw/zinc/32/48/99/132324899.db2.gz CGYKPVFROUHNMJ-UHFFFAOYSA-N 0 0 429.343 3.930 50 0 IHAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)o1 ZINC000009693898 132326466 /nfs/dbraw/zinc/32/64/66/132326466.db2.gz PHWIHEROPWRHIT-UHFFFAOYSA-N 0 0 442.512 3.663 50 0 IHAARN CCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708853 132326862 /nfs/dbraw/zinc/32/68/62/132326862.db2.gz OHDSWRCXBUQOMX-UHFFFAOYSA-N 0 0 434.500 3.797 50 0 IHAARN Cc1cccc(N2N=C(C(=O)Nc3nn4cc(-c5ccccc5)nc4s3)CCC2=O)c1 ZINC000009742612 132328115 /nfs/dbraw/zinc/32/81/15/132328115.db2.gz PCZHGSCJBNXOEB-UHFFFAOYSA-N 0 0 430.493 3.888 50 0 IHAARN CC(=O)N1C[C@@H](C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 ZINC000009764462 132328610 /nfs/dbraw/zinc/32/86/10/132328610.db2.gz OLGFBZIABGJQKA-DJJJIMSYSA-N 0 0 429.929 3.978 50 0 IHAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009782535 132328934 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50 0 IHAARN COc1ccc(CC(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1 ZINC000011613221 132338122 /nfs/dbraw/zinc/33/81/22/132338122.db2.gz LOFXZNQRYPKFOA-UHFFFAOYSA-N 0 0 432.524 3.786 50 0 IHAARN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000011612426 132338130 /nfs/dbraw/zinc/33/81/30/132338130.db2.gz HBFFRQUDNUCEJO-UHFFFAOYSA-N 0 0 446.953 3.772 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000011667479 132338387 /nfs/dbraw/zinc/33/83/87/132338387.db2.gz VEHHRWWHCSYQKG-UHFFFAOYSA-N 0 0 447.579 3.737 50 0 IHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000011697507 132339124 /nfs/dbraw/zinc/33/91/24/132339124.db2.gz MNGINTUWLNJLIM-UHFFFAOYSA-N 0 0 428.418 3.596 50 0 IHAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)c1 ZINC000011782923 132339550 /nfs/dbraw/zinc/33/95/50/132339550.db2.gz UBMUTYUJNZVZLF-SFHVURJKSA-N 0 0 434.540 3.797 50 0 IHAARN O=C(C[S@](=O)Cc1ccc(F)cc1Br)N1CCCc2cccc(F)c21 ZINC000012971883 132341154 /nfs/dbraw/zinc/34/11/54/132341154.db2.gz IJXCSFDYJZCUNF-VWLOTQADSA-N 0 0 428.298 3.955 50 0 IHAARN CC(C)[C@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc2c(c1)OCCO2 ZINC000013006113 132341708 /nfs/dbraw/zinc/34/17/08/132341708.db2.gz YQCHRFSHGJHXLE-NRFANRHFSA-N 0 0 430.936 3.631 50 0 IHAARN C[C@@H](NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000013006042 132341749 /nfs/dbraw/zinc/34/17/49/132341749.db2.gz MAUUODQDDMVHIF-OAHLLOKOSA-N 0 0 435.446 3.737 50 0 IHAARN Cc1cc(N2CCN(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)nc(C(C)C)n1 ZINC000013003960 132341823 /nfs/dbraw/zinc/34/18/23/132341823.db2.gz ROGWEFJAEKQAIF-HSZRJFAPSA-N 0 0 427.568 3.683 50 0 IHAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000013012252 132342404 /nfs/dbraw/zinc/34/24/04/132342404.db2.gz UYOVVLAHVHUVPQ-QGZVFWFLSA-N 0 0 436.537 3.790 50 0 IHAARN C[C@@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 ZINC000013058543 132343683 /nfs/dbraw/zinc/34/36/83/132343683.db2.gz FVHZBQKRJYNHCY-GFCCVEGCSA-N 0 0 432.899 3.815 50 0 IHAARN CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000013098133 132344495 /nfs/dbraw/zinc/34/44/95/132344495.db2.gz HEEBMMUBMLILHH-DEOSSOPVSA-N 0 0 440.975 3.913 50 0 IHAARN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CC(=O)Nc2ccccc21 ZINC000013566847 132350353 /nfs/dbraw/zinc/35/03/53/132350353.db2.gz JLZBUOPKGMJDEG-HSZRJFAPSA-N 0 0 433.489 3.653 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 ZINC000013679995 132353210 /nfs/dbraw/zinc/35/32/10/132353210.db2.gz MBHJGLIEVKMUPJ-UHFFFAOYSA-N 0 0 435.549 3.758 50 0 IHAARN Cc1cc(C)nc(Sc2nc(Sc3nc(C)cc(C)n3)nc(N3CCCCC3)n2)n1 ZINC000013893325 132355233 /nfs/dbraw/zinc/35/52/33/132355233.db2.gz WFUMLCGWXKMUTJ-UHFFFAOYSA-N 0 0 440.602 3.978 50 0 IHAARN C[C@H](CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014129732 132356164 /nfs/dbraw/zinc/35/61/64/132356164.db2.gz VZNMNGFTRDHTGP-MRXNPFEDSA-N 0 0 449.473 3.780 50 0 IHAARN CCCNC(=O)CN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000014183937 132356488 /nfs/dbraw/zinc/35/64/88/132356488.db2.gz OOTJPLAKDUFSJV-UHFFFAOYSA-N 0 0 429.615 3.685 50 0 IHAARN CC(=O)c1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)cs1 ZINC000012439648 518260924 /nfs/dbraw/zinc/26/09/24/518260924.db2.gz BTGUSVLXJSVWAC-GOSISDBHSA-N 0 0 427.570 3.679 50 0 IHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000012777369 518397901 /nfs/dbraw/zinc/39/79/01/518397901.db2.gz FZSOKADYYPVFDG-INIZCTEOSA-N 0 0 436.464 3.514 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000012678471 518401300 /nfs/dbraw/zinc/40/13/00/518401300.db2.gz NXUCDMKCKFKKPC-FQEVSTJZSA-N 0 0 446.594 3.643 50 0 IHAARN CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)nc1C ZINC000012140044 518499092 /nfs/dbraw/zinc/49/90/92/518499092.db2.gz BGIUEEQLQDBNRJ-UHFFFAOYSA-N 0 0 435.571 3.860 50 0 IHAARN CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000016047966 518499382 /nfs/dbraw/zinc/49/93/82/518499382.db2.gz 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CC(=O)N1CCc2cc(Nc3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)ccc21 ZINC000022803423 519632568 /nfs/dbraw/zinc/63/25/68/519632568.db2.gz LPUVIKJTRWGHKN-UHFFFAOYSA-N 0 0 449.580 3.665 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCCOc3cccc(C)c3)cc2)S1 ZINC000020895649 519643546 /nfs/dbraw/zinc/64/35/46/519643546.db2.gz HLBUHOXCLGQYDI-OAQYLSRUSA-N 0 0 427.526 3.844 50 0 IHAARN CC(C)CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2C1=O ZINC000012787826 519653322 /nfs/dbraw/zinc/65/33/22/519653322.db2.gz FIBQPMZAOSEVQW-UHFFFAOYSA-N 0 0 441.915 3.693 50 0 IHAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000021140468 519706565 /nfs/dbraw/zinc/70/65/65/519706565.db2.gz KDERJCBVRMMVBS-AWEZNQCLSA-N 0 0 433.464 3.941 50 0 IHAARN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N1CCSc2ccccc21 ZINC000012423661 519709354 /nfs/dbraw/zinc/70/93/54/519709354.db2.gz JJMOBKSDBUOLPL-UHFFFAOYSA-N 0 0 444.578 3.599 50 0 IHAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C(=S)NC(C)C ZINC000036032197 519718488 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CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H]2CCCc3ccccc32)c1=O ZINC000012450409 519902115 /nfs/dbraw/zinc/90/21/15/519902115.db2.gz CTSQGBQCNXPDSF-DEOSSOPVSA-N 0 0 443.547 3.648 50 0 IHAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1C(C)C)C(C)C ZINC000036032187 519902599 /nfs/dbraw/zinc/90/25/99/519902599.db2.gz SGXNWXYNYDGCIM-UHFFFAOYSA-N 0 0 436.647 3.851 50 0 IHAARN CC(C)c1noc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000022750657 519904894 /nfs/dbraw/zinc/90/48/94/519904894.db2.gz CYRSMMMKYROJHC-UHFFFAOYSA-N 0 0 441.937 3.768 50 0 IHAARN CC(C)n1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000012851445 519922697 /nfs/dbraw/zinc/92/26/97/519922697.db2.gz FITLXRQWRMCESC-CYBMUJFWSA-N 0 0 430.559 3.537 50 0 IHAARN CC(C)n1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000012851450 519922828 /nfs/dbraw/zinc/92/28/28/519922828.db2.gz FITLXRQWRMCESC-ZDUSSCGKSA-N 0 0 430.559 3.537 50 0 IHAARN CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000012771166 520049171 /nfs/dbraw/zinc/04/91/71/520049171.db2.gz KMFIDNBKFQMEHC-UHFFFAOYSA-N 0 0 441.534 3.785 50 0 IHAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000016498929 520183580 /nfs/dbraw/zinc/18/35/80/520183580.db2.gz MOAKDNCYKNRTQP-UHFFFAOYSA-N 0 0 446.525 3.871 50 0 IHAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC ZINC000012256718 520294591 /nfs/dbraw/zinc/29/45/91/520294591.db2.gz RCRDUCWXUVKATF-UHFFFAOYSA-N 0 0 438.933 3.930 50 0 IHAARN CCCOc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000021730757 520355073 /nfs/dbraw/zinc/35/50/73/520355073.db2.gz DTLRPDPEQUNEQP-UHFFFAOYSA-N 0 0 425.554 3.901 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000012062104 520383907 /nfs/dbraw/zinc/38/39/07/520383907.db2.gz GONURGJHHRKBLP-GOSISDBHSA-N 0 0 434.540 3.824 50 0 IHAARN CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000035684698 520399732 /nfs/dbraw/zinc/39/97/32/520399732.db2.gz IRUBGSYYENWHSB-UFFVCSGVSA-N 0 0 440.477 3.513 50 0 IHAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000012302670 520462422 /nfs/dbraw/zinc/46/24/22/520462422.db2.gz WGIZVYWTZVTECV-SFHVURJKSA-N 0 0 445.535 3.766 50 0 IHAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)cc2)c2ncnn2[C@H]1c1ccc(F)cc1 ZINC000021351270 520475515 /nfs/dbraw/zinc/47/55/15/520475515.db2.gz DMCBMXJGEKDEKL-QFIPXVFZSA-N 0 0 449.486 3.611 50 0 IHAARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(F)c1 ZINC000012515935 520479165 /nfs/dbraw/zinc/47/91/65/520479165.db2.gz KARAFEUAXQWLCU-FQEVSTJZSA-N 0 0 428.485 3.870 50 0 IHAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(C)ccc2OC)s1 ZINC000032947340 520495594 /nfs/dbraw/zinc/49/55/94/520495594.db2.gz VSXHFACRPDZLMR-UHFFFAOYSA-N 0 0 440.616 3.546 50 0 IHAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000035991354 520508273 /nfs/dbraw/zinc/50/82/73/520508273.db2.gz HXHABHKEGGGHJD-QHCPKHFHSA-N 0 0 437.540 3.731 50 0 IHAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415808 520508972 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QXPZPPAJDAFLKK-IBGZPJMESA-N 0 0 442.585 3.986 50 0 IHAARN CCCCN1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2S(=O)(=O)N=C1C ZINC000015867648 520598684 /nfs/dbraw/zinc/59/86/84/520598684.db2.gz PYVWKQIORUMVAI-UHFFFAOYSA-N 0 0 428.514 3.625 50 0 IHAARN CCOC(=O)CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928534 520623911 /nfs/dbraw/zinc/62/39/11/520623911.db2.gz YUNUPUGVMFZTSE-HSZRJFAPSA-N 0 0 441.553 3.813 50 0 IHAARN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000012870541 520632150 /nfs/dbraw/zinc/63/21/50/520632150.db2.gz ITGHTTBYCUYYCU-IIMQCXAKSA-N 0 0 442.899 3.939 50 0 IHAARN CCOc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1OC(F)F ZINC000021600826 520671005 /nfs/dbraw/zinc/67/10/05/520671005.db2.gz QCUUJUKLTZFYFW-HNNXBMFYSA-N 0 0 434.439 3.848 50 0 IHAARN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3F)c2)C1 ZINC000021709498 520674516 /nfs/dbraw/zinc/67/45/16/520674516.db2.gz AFWVGBLICORDRN-SFHVURJKSA-N 0 0 425.504 3.847 50 0 IHAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000036045639 520680337 /nfs/dbraw/zinc/68/03/37/520680337.db2.gz ZWCCXAPSCNYRRC-PMACEKPBSA-N 0 0 428.504 3.615 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)ccc1O ZINC000015670298 520776326 /nfs/dbraw/zinc/77/63/26/520776326.db2.gz PSKYNTIEWCXZGJ-KRWDZBQOSA-N 0 0 442.479 3.611 50 0 IHAARN CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)ccc1O ZINC000020464011 520777780 /nfs/dbraw/zinc/77/77/80/520777780.db2.gz SXCCKNLMKFTHRG-INIZCTEOSA-N 0 0 437.521 3.949 50 0 IHAARN CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)ccc1O ZINC000021784164 520784975 /nfs/dbraw/zinc/78/49/75/520784975.db2.gz OLQADQLPLLLBEJ-OAHLLOKOSA-N 0 0 441.484 3.780 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000012867529 520797139 /nfs/dbraw/zinc/79/71/39/520797139.db2.gz RSWXQFHPZSZJLR-UHFFFAOYSA-N 0 0 449.960 3.750 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cncn2-c2ccc(F)cc2)cc1 ZINC000012820293 520810332 /nfs/dbraw/zinc/81/03/32/520810332.db2.gz WWMFCQYBNWAXSZ-MRXNPFEDSA-N 0 0 444.532 3.533 50 0 IHAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)NC(=O)N1C ZINC000035707572 520814667 /nfs/dbraw/zinc/81/46/67/520814667.db2.gz RVWSNOXJZQPNFJ-HXUWFJFHSA-N 0 0 425.460 4.000 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)N[C@@H](C)CCc3ccccc3)n2C)c1 ZINC000035561044 520814875 /nfs/dbraw/zinc/81/48/75/520814875.db2.gz SQJFKIAASFHHRF-SFHVURJKSA-N 0 0 441.597 3.960 50 0 IHAARN CCN(CC)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012563756 520915480 /nfs/dbraw/zinc/91/54/80/520915480.db2.gz VQZVMRYATXRZSZ-UHFFFAOYSA-N 0 0 444.528 3.673 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1 ZINC000020383785 520929258 /nfs/dbraw/zinc/92/92/58/520929258.db2.gz KJBPLEWVDBBZIB-KRWDZBQOSA-N 0 0 444.601 3.867 50 0 IHAARN CCCCSc1nc2sc3c(c2c(N2CCN(CCO)CC2)n1)CC(C)(C)OC3 ZINC000020441586 520978484 /nfs/dbraw/zinc/97/84/84/520978484.db2.gz VSPPHGVHGNJVOO-UHFFFAOYSA-N 0 0 436.647 3.549 50 0 IHAARN CCOc1ccc(CNC(=O)CCn2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1OCC ZINC000035424195 520984934 /nfs/dbraw/zinc/98/49/34/520984934.db2.gz GEMJYKYWHSAGBM-UHFFFAOYSA-N 0 0 448.523 3.690 50 0 IHAARN CCOc1ccc(CNC(=O)CCC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1OC ZINC000020988072 520985004 /nfs/dbraw/zinc/98/50/04/520985004.db2.gz PLQLRKCZCXKHIB-LJQANCHMSA-N 0 0 437.540 3.506 50 0 IHAARN CCOc1ccc(CNC(=O)[C@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)cc1OC ZINC000032944881 520994174 /nfs/dbraw/zinc/99/41/74/520994174.db2.gz QAALOPZMZHHLJX-ZDUSSCGKSA-N 0 0 449.429 3.700 50 0 IHAARN CCOc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 ZINC000012411865 521041307 /nfs/dbraw/zinc/04/13/07/521041307.db2.gz LFAMDYKYMLWONJ-IBGZPJMESA-N 0 0 442.313 3.845 50 0 IHAARN CC1CCN(c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000012918242 521050134 /nfs/dbraw/zinc/05/01/34/521050134.db2.gz PURVHACTZUCMDX-SFHVURJKSA-N 0 0 433.553 3.563 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012411901 521067766 /nfs/dbraw/zinc/06/77/66/521067766.db2.gz IWIJIZKGZSRXOW-UHFFFAOYSA-N 0 0 435.509 3.547 50 0 biogenic,in-vitro IHAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035948743 521081397 /nfs/dbraw/zinc/08/13/97/521081397.db2.gz VYEZSGRNLHFWHR-SFHVURJKSA-N 0 0 427.888 3.615 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035948298 521089201 /nfs/dbraw/zinc/08/92/01/521089201.db2.gz CJLPVOKRUNOSRZ-GOSISDBHSA-N 0 0 433.961 3.964 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000022237920 521104177 /nfs/dbraw/zinc/10/41/77/521104177.db2.gz UOLBTOQQIGCSJU-GFCCVEGCSA-N 0 0 427.448 3.542 50 0 IHAARN CCOc1ccc(OCC)c(NC(=O)COc2ccc(/C=C/C(=O)OC)cc2OC)c1 ZINC000012872148 521167537 /nfs/dbraw/zinc/16/75/37/521167537.db2.gz LBNGJAWSIQMWIG-XYOKQWHBSA-N 0 0 429.469 3.696 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 ZINC000012316644 521183192 /nfs/dbraw/zinc/18/31/92/521183192.db2.gz VUNLTNCWUGZSPO-RUZDIDTESA-N 0 0 434.540 3.752 50 0 IHAARN CCC(=O)Nc1ccc2nc(SCc3cc(=O)n4nc(CC)sc4n3)sc2c1 ZINC000020983582 521219783 /nfs/dbraw/zinc/21/97/83/521219783.db2.gz NSWPMWCSHNLYTL-UHFFFAOYSA-N 0 0 431.568 3.964 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000022237922 521289222 /nfs/dbraw/zinc/28/92/22/521289222.db2.gz UOLBTOQQIGCSJU-LBPRGKRZSA-N 0 0 427.448 3.542 50 0 IHAARN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015611378 521311300 /nfs/dbraw/zinc/31/13/00/521311300.db2.gz UNCDWHSCBBLISA-CQSZACIVSA-N 0 0 444.981 3.990 50 0 IHAARN CCOc1cccc(C(=O)Nc2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)c1 ZINC000020486421 521326516 /nfs/dbraw/zinc/32/65/16/521326516.db2.gz CERYIRGELLYBMF-UHFFFAOYSA-N 0 0 425.470 3.521 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(CC)c4)CC3)sc2n1 ZINC000021165899 521346158 /nfs/dbraw/zinc/34/61/58/521346158.db2.gz IYOATCRJBGODPD-UHFFFAOYSA-N 0 0 425.558 3.521 50 0 IHAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)sc2n1 ZINC000020866211 521346213 /nfs/dbraw/zinc/34/62/13/521346213.db2.gz QTICNTAALLUXDO-UHFFFAOYSA-N 0 0 449.939 3.751 50 0 IHAARN CCCc1cc(=O)[nH]c(S[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012566766 521346479 /nfs/dbraw/zinc/34/64/79/521346479.db2.gz HDWBVWSIUCNEEP-IRXDYDNUSA-N 0 0 442.006 3.758 50 0 IHAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc(CC(C)C)n[nH]2)C1 ZINC000012446758 521355918 /nfs/dbraw/zinc/35/59/18/521355918.db2.gz UPDMGHITSCSPIL-DEOSSOPVSA-N 0 0 427.545 3.645 50 0 IHAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O ZINC000013098128 534557265 /nfs/dbraw/zinc/55/72/65/534557265.db2.gz CSFKKQZREAPRSM-UHFFFAOYSA-N 0 0 432.996 3.946 50 0 IHAARN CCCCn1c(CN(C)Cc2c(C)nn(C)c2C)cnc1S(=O)(=O)CCCC(C)C ZINC000012439006 521361308 /nfs/dbraw/zinc/36/13/08/521361308.db2.gz JATPXEWSXYOXKW-UHFFFAOYSA-N 0 0 437.654 3.875 50 0 IHAARN CCCCn1c(COC(=O)C23CC4CC(CC(C4)C2)C3)nc2cc(S(N)(=O)=O)ccc21 ZINC000012627657 521364467 /nfs/dbraw/zinc/36/44/67/521364467.db2.gz WVQXVZPTWXELHT-UHFFFAOYSA-N 0 0 445.585 3.743 50 0 IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000020893788 521373309 /nfs/dbraw/zinc/37/33/09/521373309.db2.gz WKUMQGNSFNIAHY-UHFFFAOYSA-N 0 0 437.565 3.835 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000035529675 521376211 /nfs/dbraw/zinc/37/62/11/521376211.db2.gz FHALVBIIQNJIQX-UHFFFAOYSA-N 0 0 437.462 3.832 50 0 IHAARN CCOC(=O)c1c(NC(=O)CNc2ccccc2N2CCCC2=O)sc2c1CCCC2 ZINC000009338557 521408950 /nfs/dbraw/zinc/40/89/50/521408950.db2.gz VSAAOJXHONIUJO-UHFFFAOYSA-N 0 0 441.553 3.981 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CCC)cc1 ZINC000012180439 521412830 /nfs/dbraw/zinc/41/28/30/521412830.db2.gz HGVZUVWJVVXLHZ-UHFFFAOYSA-N 0 0 436.599 3.932 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(-c3ccc(C)cc3)ccc1=O)CCCC2 ZINC000012111341 521418755 /nfs/dbraw/zinc/41/87/55/521418755.db2.gz AJZNQBRCIAQXHT-UHFFFAOYSA-N 0 0 437.521 3.910 50 0 IHAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(S(=O)(=O)c3ccccc3C)CC2)n1 ZINC000022665133 521429237 /nfs/dbraw/zinc/42/92/37/521429237.db2.gz MXJCPQWOTFLOTB-UHFFFAOYSA-N 0 0 433.574 3.692 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=S)NC(C)C ZINC000036042889 521432012 /nfs/dbraw/zinc/43/20/12/521432012.db2.gz BGWLCNLZONAHJV-UHFFFAOYSA-N 0 0 440.610 3.682 50 0 IHAARN CCOc1ccccc1CN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000020775579 521483956 /nfs/dbraw/zinc/48/39/56/521483956.db2.gz SJXXEGSJSMKKHN-QHCPKHFHSA-N 0 0 448.567 3.736 50 0 IHAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccccc1 ZINC000035766545 521533907 /nfs/dbraw/zinc/53/39/07/521533907.db2.gz YDDWOKPEEJCKIG-UHFFFAOYSA-N 0 0 440.565 3.952 50 0 IHAARN CCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1nnc(-c2cccs2)o1 ZINC000022060710 521551460 /nfs/dbraw/zinc/55/14/60/521551460.db2.gz CLCLCXRQJSEKER-UHFFFAOYSA-N 0 0 439.541 3.541 50 0 IHAARN CCOc1ccccc1OCCCC(=O)NCC(=O)Nc1ccccc1Br ZINC000012751858 521563112 /nfs/dbraw/zinc/56/31/12/521563112.db2.gz CTMWXDFUENNJNT-UHFFFAOYSA-N 0 0 435.318 3.762 50 0 IHAARN CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)c1N ZINC000021799388 521577612 /nfs/dbraw/zinc/57/76/12/521577612.db2.gz AYJSOFHEGSDADS-UHFFFAOYSA-N 0 0 444.417 3.977 50 0 IHAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)C2CC2)CC1 ZINC000022673655 521598715 /nfs/dbraw/zinc/59/87/15/521598715.db2.gz PSZBSIMLXVSJPM-UHFFFAOYSA-N 0 0 437.327 3.562 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)nc1C ZINC000012413775 521613476 /nfs/dbraw/zinc/61/34/76/521613476.db2.gz PZJWKWYVPLMZKI-UHFFFAOYSA-N 0 0 446.554 3.687 50 0 IHAARN CCS(=O)(=O)N1CCC(C(=O)Oc2ccc3cc(Br)ccc3c2)CC1 ZINC000024134391 521661379 /nfs/dbraw/zinc/66/13/79/521661379.db2.gz WRULXFQANPFGRR-UHFFFAOYSA-N 0 0 426.332 3.569 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3cccc(OC)c3)cc(=O)n21 ZINC000021797410 521663706 /nfs/dbraw/zinc/66/37/06/521663706.db2.gz UPIGCRDYLHMZHY-UHFFFAOYSA-N 0 0 449.536 3.854 50 0 IHAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 ZINC000021797308 521663768 /nfs/dbraw/zinc/66/37/68/521663768.db2.gz MFPKGJSREMCEGM-UHFFFAOYSA-N 0 0 437.500 3.985 50 0 IHAARN CCCN(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000035944595 521681021 /nfs/dbraw/zinc/68/10/21/521681021.db2.gz TWLUFANXCBIJFF-UHFFFAOYSA-N 0 0 433.549 3.841 50 0 IHAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)COCc2ccccc2)c1 ZINC000035770065 521686488 /nfs/dbraw/zinc/68/64/88/521686488.db2.gz ZRTWZAXUOVKSCX-UHFFFAOYSA-N 0 0 443.521 3.754 50 0 IHAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(F)cc2)cc1 ZINC000035769902 521686566 /nfs/dbraw/zinc/68/65/66/521686566.db2.gz LGIWOROFHGIKQZ-UHFFFAOYSA-N 0 0 431.485 3.919 50 0 IHAARN CCN1c2cc(C(=O)N(C)Cc3ccccc3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000021368014 521730069 /nfs/dbraw/zinc/73/00/69/521730069.db2.gz GEMPYRMMHYIYTO-UHFFFAOYSA-N 0 0 434.517 3.772 50 0 IHAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021657643 521730990 /nfs/dbraw/zinc/73/09/90/521730990.db2.gz VMQXIGRZEJYVAG-UHFFFAOYSA-N 0 0 443.472 3.962 50 0 IHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035948890 521739389 /nfs/dbraw/zinc/73/93/89/521739389.db2.gz OOBKDPZISMMGMP-SFHVURJKSA-N 0 0 448.976 3.757 50 0 IHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1 ZINC000035949499 521739453 /nfs/dbraw/zinc/73/94/53/521739453.db2.gz FCRQRYNRVZLFSD-HSZRJFAPSA-N 0 0 436.556 3.659 50 0 IHAARN COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)sc2c1CCCC2 ZINC000016625367 521764570 /nfs/dbraw/zinc/76/45/70/521764570.db2.gz GTPNQMJHHGXBPW-UHFFFAOYSA-N 0 0 443.569 3.539 50 0 IHAARN CC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C(F)(F)F)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607651 521855826 /nfs/dbraw/zinc/85/58/26/521855826.db2.gz LCZHATCMILARTQ-JQWIXIFHSA-N 0 0 437.388 3.762 50 0 IHAARN COCC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000012315117 521873720 /nfs/dbraw/zinc/87/37/20/521873720.db2.gz LMOVAJNWXDOAOM-NRFANRHFSA-N 0 0 433.618 3.904 50 0 IHAARN CCc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995586 521879261 /nfs/dbraw/zinc/87/92/61/521879261.db2.gz RNMNDKCAWKBXHO-INIZCTEOSA-N 0 0 440.565 3.739 50 0 IHAARN COC(=O)c1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc(C(=O)OC)c1 ZINC000012825192 521892611 /nfs/dbraw/zinc/89/26/11/521892611.db2.gz HHOOOINGNNOLKS-UHFFFAOYSA-N 0 0 448.460 3.579 50 0 IHAARN COc1cc(-c2cccnc2)cc2c1OCCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 ZINC000012149786 521897879 /nfs/dbraw/zinc/89/78/79/521897879.db2.gz MEMOVOPQCRLXDD-UHFFFAOYSA-N 0 0 443.503 3.919 50 0 IHAARN COc1cc(-c2ncc(C(=O)NCC3CC3)c(N3CCCC[C@@H]3C)n2)cc(OC)c1OC ZINC000035987895 521906452 /nfs/dbraw/zinc/90/64/52/521906452.db2.gz OAOFRQHECBAGGA-HNNXBMFYSA-N 0 0 440.544 3.688 50 0 IHAARN COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc(OC)c1OC ZINC000009662398 521909032 /nfs/dbraw/zinc/90/90/32/521909032.db2.gz JBIHSSCTJIOUBJ-GZBFAFLISA-N 0 0 435.546 3.795 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2c3ccccc3nc2SC(F)F)c1 ZINC000012534990 521981093 /nfs/dbraw/zinc/98/10/93/521981093.db2.gz MHGZNKZLHCUJKM-UHFFFAOYSA-N 0 0 449.435 3.563 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OCc2ccccc2)c1 ZINC000015718297 521990354 /nfs/dbraw/zinc/99/03/54/521990354.db2.gz LGLBRWVNFCXKFB-UHFFFAOYSA-N 0 0 436.533 3.719 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)O2)c1 ZINC000012803420 521995277 /nfs/dbraw/zinc/99/52/77/521995277.db2.gz BHRPBXGBWBIATE-JCMHNJIXSA-N 0 0 432.501 3.948 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012906808 521995302 /nfs/dbraw/zinc/99/53/02/521995302.db2.gz PSEVUPSBJSTSFR-IBGZPJMESA-N 0 0 432.592 3.848 50 0 IHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1)CCS2 ZINC000012140302 522054511 /nfs/dbraw/zinc/05/45/11/522054511.db2.gz DJPSDMZRPHDITM-UHFFFAOYSA-N 0 0 446.381 3.576 50 0 IHAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(OC)c1 ZINC000012389903 522058729 /nfs/dbraw/zinc/05/87/29/522058729.db2.gz UEXWXSFCBBRKMW-UHFFFAOYSA-N 0 0 442.537 3.845 50 0 IHAARN COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000022768000 522064149 /nfs/dbraw/zinc/06/41/49/522064149.db2.gz KBQKSHZSYDBAPR-UHFFFAOYSA-N 0 0 434.883 3.948 50 0 IHAARN COCCn1c(CN(C)Cc2cccs2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012433596 522067489 /nfs/dbraw/zinc/06/74/89/522067489.db2.gz YFEUJXKRJNMTSQ-UHFFFAOYSA-N 0 0 425.620 3.720 50 0 IHAARN COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1OC(C)C ZINC000012749199 522068453 /nfs/dbraw/zinc/06/84/53/522068453.db2.gz JIAGTCIFLGPEHK-UHFFFAOYSA-N 0 0 439.508 3.989 50 0 IHAARN CC[C@@H](C)NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(OC)cc4)nc32)CC1 ZINC000020564456 522142708 /nfs/dbraw/zinc/14/27/08/522142708.db2.gz RPUGHIAGYUKMTQ-OAHLLOKOSA-N 0 0 436.560 3.572 50 0 IHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)no1 ZINC000035539268 522142522 /nfs/dbraw/zinc/14/25/22/522142522.db2.gz JVLOQUXQGNKHRJ-UHFFFAOYSA-N 0 0 446.598 3.797 50 0 IHAARN CC[C@@H](C)NC(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccc(C)nc21 ZINC000021655351 522174527 /nfs/dbraw/zinc/17/45/27/522174527.db2.gz VXDYZQGNLLREQJ-OAHLLOKOSA-N 0 0 431.496 3.645 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000023401523 522175964 /nfs/dbraw/zinc/17/59/64/522175964.db2.gz IEBVTBVBVBCQEH-QGZVFWFLSA-N 0 0 439.537 3.947 50 0 IHAARN COC(=O)c1cccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 ZINC000012928286 522221793 /nfs/dbraw/zinc/22/17/93/522221793.db2.gz VAZAJDVBEFLGGH-UHFFFAOYSA-N 0 0 443.550 3.522 50 0 IHAARN CN(C)c1ccc([C@H](CNc2ccc(S(N)(=O)=O)cn2)c2c[nH]c3ccccc32)cc1 ZINC000012534040 522249568 /nfs/dbraw/zinc/24/95/68/522249568.db2.gz OGDDSNDPUVJEJI-FQEVSTJZSA-N 0 0 435.553 3.520 50 0 IHAARN COC(=O)c1cccc2c1CCCN2C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000012920848 522253923 /nfs/dbraw/zinc/25/39/23/522253923.db2.gz SQKHERBHLXUPEK-UHFFFAOYSA-N 0 0 434.286 3.846 50 0 IHAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000012768055 522267675 /nfs/dbraw/zinc/26/76/75/522267675.db2.gz BRUGZKXIRIZUAF-UHFFFAOYSA-N 0 0 438.505 3.575 50 0 IHAARN COc1cc(C2SCCS2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000018699075 522308400 /nfs/dbraw/zinc/30/84/00/522308400.db2.gz LBOATZGIPUAQNR-UHFFFAOYSA-N 0 0 429.519 3.766 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000020716987 522375398 /nfs/dbraw/zinc/37/53/98/522375398.db2.gz ZRFGYEOLMPCITA-VOZBZGINSA-N 0 0 439.343 3.961 50 0 IHAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035990225 522469382 /nfs/dbraw/zinc/46/93/82/522469382.db2.gz BCTQUAMIIKPACO-UHFFFAOYSA-N 0 0 430.512 3.550 50 0 IHAARN CCc1nc2cc(C(=O)N3CCSCC3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000012151468 522481483 /nfs/dbraw/zinc/48/14/83/522481483.db2.gz MXQHWRMSZFMPKM-UHFFFAOYSA-N 0 0 438.553 3.586 50 0 IHAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000012535910 522506048 /nfs/dbraw/zinc/50/60/48/522506048.db2.gz UYZCGQWPBZGRIV-UHFFFAOYSA-N 0 0 436.365 3.621 50 0 IHAARN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015699848 522509436 /nfs/dbraw/zinc/50/94/36/522509436.db2.gz FIZJTVPRQLANFX-UHFFFAOYSA-N 0 0 436.917 3.641 50 0 IHAARN CN(CC(=O)Nc1ccccc1Br)C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000012892799 522518727 /nfs/dbraw/zinc/51/87/27/522518727.db2.gz RAEYQUCAYPFXHQ-UHFFFAOYSA-N 0 0 447.329 3.639 50 0 IHAARN CN(CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)C(=O)c1ccco1 ZINC000012859127 522522576 /nfs/dbraw/zinc/52/25/76/522522576.db2.gz JTEOLFWTHFRDHE-UHFFFAOYSA-N 0 0 434.315 3.800 50 0 IHAARN CCc1nn([C@@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc3occc3n21 ZINC000020863295 522703793 /nfs/dbraw/zinc/70/37/93/522703793.db2.gz FKLOYUIVIWJKBX-SFHVURJKSA-N 0 0 436.512 3.859 50 0 IHAARN CCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)cc2=O)s1 ZINC000015771668 522709769 /nfs/dbraw/zinc/70/97/69/522709769.db2.gz BQBPLBHHVRNJBD-UHFFFAOYSA-N 0 0 448.504 3.631 50 0 IHAARN COc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C(C)C)c3)cc2)cc(OC)c1OC ZINC000033140778 522722155 /nfs/dbraw/zinc/72/21/55/522722155.db2.gz AWKOCMNQBZZUAY-UHFFFAOYSA-N 0 0 438.484 3.745 50 0 IHAARN CN(CCCC(=O)OCc1cc(-c2ccccc2)on1)S(=O)(=O)c1ccc(F)cc1 ZINC000018978524 522725514 /nfs/dbraw/zinc/72/55/14/522725514.db2.gz ZREAZTUNWQZTNT-UHFFFAOYSA-N 0 0 432.473 3.625 50 0 IHAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2nc(C)no2)cc1OC ZINC000022285455 522727508 /nfs/dbraw/zinc/72/75/08/522727508.db2.gz NYDYKKJFJJQDLL-UHFFFAOYSA-N 0 0 431.832 3.658 50 0 IHAARN CCc1nnc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)s1 ZINC000021721351 522761967 /nfs/dbraw/zinc/76/19/67/522761967.db2.gz MKCSAHMAYRCSHS-UHFFFAOYSA-N 0 0 432.556 3.957 50 0 IHAARN COCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c1 ZINC000035945103 522785527 /nfs/dbraw/zinc/78/55/27/522785527.db2.gz WCTGPJRBVISPDX-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1cc(OC)c([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCCN24)cc1OC ZINC000012750185 522831233 /nfs/dbraw/zinc/83/12/33/522831233.db2.gz LXDWXYXUXOGFEY-UXSWERMXSA-N 0 0 426.513 3.552 50 0 IHAARN COc1cc(OC)cc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)c1 ZINC000035460005 522837640 /nfs/dbraw/zinc/83/76/40/522837640.db2.gz MPGJRJDRYGZUFQ-UHFFFAOYSA-N 0 0 447.495 3.783 50 0 IHAARN COc1cc(OC)cc(C(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000012625351 522850506 /nfs/dbraw/zinc/85/05/06/522850506.db2.gz PTLQIYFVMCBXPG-UHFFFAOYSA-N 0 0 438.455 3.681 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)c(F)c1 ZINC000012523222 522868589 /nfs/dbraw/zinc/86/85/89/522868589.db2.gz JUQYPVHPXNQOAE-IBGZPJMESA-N 0 0 432.448 3.619 50 0 IHAARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1cccc(Br)c1 ZINC000016517520 522871100 /nfs/dbraw/zinc/87/11/00/522871100.db2.gz MKESSQVZDXRXOR-GOSISDBHSA-N 0 0 445.269 3.896 50 0 IHAARN COC(=O)C1CC[NH+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851759 522921047 /nfs/dbraw/zinc/92/10/47/522921047.db2.gz LFAIDZLWYUQCPG-KRWDZBQOSA-N 0 0 438.509 3.731 50 0 IHAARN COc1cc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044502 522926493 /nfs/dbraw/zinc/92/64/93/522926493.db2.gz CHRQJKCGFWXSKW-RBUKOAKNSA-N 0 0 446.588 3.703 50 0 IHAARN COc1cc([C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044503 522960464 /nfs/dbraw/zinc/96/04/64/522960464.db2.gz CHRQJKCGFWXSKW-MOPGFXCFSA-N 0 0 446.588 3.703 50 0 IHAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000020895493 522967200 /nfs/dbraw/zinc/96/72/00/522967200.db2.gz ICJJMOVZTVQTCB-LJQANCHMSA-N 0 0 433.917 3.929 50 0 IHAARN COCc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)o1 ZINC000012152466 522970020 /nfs/dbraw/zinc/97/00/20/522970020.db2.gz GTYFYVNLOIYKPS-SFHVURJKSA-N 0 0 443.573 3.516 50 0 IHAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009450535 522971145 /nfs/dbraw/zinc/97/11/45/522971145.db2.gz HHWHHRHPXKOGDS-FQEVSTJZSA-N 0 0 448.431 3.865 50 0 IHAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCCC1 ZINC000020758388 523084613 /nfs/dbraw/zinc/08/46/13/523084613.db2.gz DICGCYHNESKMFX-MRXNPFEDSA-N 0 0 444.992 3.991 50 0 IHAARN CN(C[C@H](O)c1ccc(O)cc1)C(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000012898173 523100163 /nfs/dbraw/zinc/10/01/63/523100163.db2.gz NNTGFFPEVLAJSN-QHCPKHFHSA-N 0 0 445.471 3.736 50 0 biogenic IHAARN CCn1c(=O)c2c(nc1SCN1C(=O)c3ccccc3C1=O)sc1c2CCCC1 ZINC000012843615 523103560 /nfs/dbraw/zinc/10/35/60/523103560.db2.gz DAJCJKYEZQMCQH-UHFFFAOYSA-N 0 0 425.535 3.703 50 0 IHAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ccn3n2)cc1 ZINC000021038358 523118489 /nfs/dbraw/zinc/11/84/89/523118489.db2.gz IXCDBESGWVSVES-UHFFFAOYSA-N 0 0 442.397 3.829 50 0 IHAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)NC2CCC(C)CC2)c(C)n3C)cc1 ZINC000035448832 523123055 /nfs/dbraw/zinc/12/30/55/523123055.db2.gz CQFVFUGOUKGQCL-UHFFFAOYSA-N 0 0 436.556 3.645 50 0 IHAARN CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012190095 523154285 /nfs/dbraw/zinc/15/42/85/523154285.db2.gz LXZOSDZAHHXIIS-BWKNWUBXSA-N 0 0 437.515 3.599 50 0 IHAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(C)c3)s2)cc1 ZINC000017011313 523193733 /nfs/dbraw/zinc/19/37/33/523193733.db2.gz LCCPBLWRRYBKKF-UHFFFAOYSA-N 0 0 432.567 3.965 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000012924152 523197216 /nfs/dbraw/zinc/19/72/16/523197216.db2.gz ZKMDMUOWODZTSX-UHFFFAOYSA-N 0 0 432.885 3.866 50 0 IHAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021329461 523200679 /nfs/dbraw/zinc/20/06/79/523200679.db2.gz VAFLSOUPYREWKE-FQEVSTJZSA-N 0 0 449.624 3.714 50 0 IHAARN COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012874385 523203821 /nfs/dbraw/zinc/20/38/21/523203821.db2.gz JRYVIQGRVYYCHF-UHFFFAOYSA-N 0 0 434.883 3.703 50 0 IHAARN COc1ccc(-c2nc(NC[C@H]3CCCO3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929256 523220676 /nfs/dbraw/zinc/22/06/76/523220676.db2.gz YMGIRKFYKHFXMG-LJQANCHMSA-N 0 0 446.511 3.673 50 0 IHAARN COCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4F)CC2)n1)CCCC3 ZINC000035848985 523230802 /nfs/dbraw/zinc/23/08/02/523230802.db2.gz KERQUTVKPCBKTF-UHFFFAOYSA-N 0 0 440.544 3.818 50 0 IHAARN CN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000020911345 523234121 /nfs/dbraw/zinc/23/41/21/523234121.db2.gz RXFGTOMQFBDRHB-UHFFFAOYSA-N 0 0 448.944 3.739 50 0 IHAARN COc1ccc(-c2nn3ccnc(N4CCN(c5ccc(F)cc5)CC4)c3c2C=O)cc1 ZINC000015829407 523249531 /nfs/dbraw/zinc/24/95/31/523249531.db2.gz VDHDUOPNHZTFBL-UHFFFAOYSA-N 0 0 431.471 3.683 50 0 IHAARN CCn1c2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2nc(C)c1=O ZINC000014251129 523261039 /nfs/dbraw/zinc/26/10/39/523261039.db2.gz OXXXVKQJMQNUGF-HXUWFJFHSA-N 0 0 433.508 3.863 50 0 IHAARN CCn1c2ccccc2c2cc(CN(C)C(=O)C3CCN(S(=O)(=O)CC)CC3)ccc21 ZINC000012565294 523274091 /nfs/dbraw/zinc/27/40/91/523274091.db2.gz KIGNYTJIZGZCSS-UHFFFAOYSA-N 0 0 441.597 3.835 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(F)c(F)cc4Cl)CC3)n2)cc1 ZINC000022603911 523289104 /nfs/dbraw/zinc/28/91/04/523289104.db2.gz TZAXKHLLRBAILL-UHFFFAOYSA-N 0 0 448.857 3.635 50 0 IHAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000012654558 523290966 /nfs/dbraw/zinc/29/09/66/523290966.db2.gz CBBSUZIRYWZEFH-UHFFFAOYSA-N 0 0 438.267 3.756 50 0 IHAARN COc1ccc(-c2noc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)n2)cc1OC ZINC000012789253 523296891 /nfs/dbraw/zinc/29/68/91/523296891.db2.gz TZTLTJWOMAGZEI-UHFFFAOYSA-N 0 0 433.251 3.819 50 0 IHAARN COCCCNC(=O)CCc1c(C)nc2nc(-c3ccc(Cl)cc3Cl)nn2c1C ZINC000020437249 523317578 /nfs/dbraw/zinc/31/75/78/523317578.db2.gz JTNUTYQZIFLKNM-UHFFFAOYSA-N 0 0 436.343 3.800 50 0 IHAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000012556799 523337023 /nfs/dbraw/zinc/33/70/23/523337023.db2.gz LTOTVZZNCKGGAH-UHFFFAOYSA-N 0 0 440.916 3.846 50 0 IHAARN COC(=O)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000012738190 523339575 /nfs/dbraw/zinc/33/95/75/523339575.db2.gz JOTRUTVFLWLPPU-HNNXBMFYSA-N 0 0 432.723 3.685 50 0 IHAARN COc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4OC)oc3C)c2C)cc1 ZINC000012415659 523353930 /nfs/dbraw/zinc/35/39/30/523353930.db2.gz HAPWWJAGUCFLSK-UHFFFAOYSA-N 0 0 434.452 3.913 50 0 IHAARN COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 ZINC000022185244 523418835 /nfs/dbraw/zinc/41/88/35/523418835.db2.gz TZHVGXBYOKUJRA-BYFYWULKSA-N 0 0 441.531 3.938 50 0 IHAARN CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012798387 523438578 /nfs/dbraw/zinc/43/85/78/523438578.db2.gz GCMGQZDMCHJPCX-UHFFFAOYSA-N 0 0 446.516 3.826 50 0 IHAARN CN(Cc1cccs1)C(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC000021242790 523441910 /nfs/dbraw/zinc/44/19/10/523441910.db2.gz BRVCCTAQHSMDQT-UHFFFAOYSA-N 0 0 428.370 3.778 50 0 IHAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012767415 523445842 /nfs/dbraw/zinc/44/58/42/523445842.db2.gz JZIOPSVDSNZGAS-IBGZPJMESA-N 0 0 436.574 3.824 50 0 IHAARN COc1ccc(Br)cc1C(=O)CCC(=O)OCc1nc(N)c2ccccc2n1 ZINC000021838277 523491197 /nfs/dbraw/zinc/49/11/97/523491197.db2.gz SCPFCNPDHZSNSM-UHFFFAOYSA-N 0 0 444.285 3.689 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ccc21 ZINC000021646575 523496637 /nfs/dbraw/zinc/49/66/37/523496637.db2.gz XYRKZYZPVCIMPW-IBGZPJMESA-N 0 0 443.544 3.517 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1cnn2c1ncc1c2CC[C@@H](C)C1 ZINC000015723271 523499612 /nfs/dbraw/zinc/49/96/12/523499612.db2.gz QFJPQFWNHYFVGG-GFCCVEGCSA-N 0 0 429.318 3.555 50 0 IHAARN CN(Cc1cnc2ccccn12)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012432239 523501672 /nfs/dbraw/zinc/50/16/72/523501672.db2.gz WZJIPRVYCBNHOB-UHFFFAOYSA-N 0 0 438.535 3.886 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(N2CCCCC2)n1C1CC1 ZINC000012750730 523569363 /nfs/dbraw/zinc/56/93/63/523569363.db2.gz LAYMBQLOKPZXOI-UHFFFAOYSA-N 0 0 442.614 3.964 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)CSCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000012739687 523571668 /nfs/dbraw/zinc/57/16/68/523571668.db2.gz OLYMZOCHAPSUKO-UHFFFAOYSA-N 0 0 444.528 3.628 50 0 IHAARN COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 ZINC000012740212 523574565 /nfs/dbraw/zinc/57/45/65/523574565.db2.gz ZIZKEYYLZYPGON-HSZRJFAPSA-N 0 0 436.552 3.880 50 0 IHAARN COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1Cl)C(C)C ZINC000020727483 523611015 /nfs/dbraw/zinc/61/10/15/523611015.db2.gz LCCQVBGVFQQFLS-RDJZCZTQSA-N 0 0 425.316 3.571 50 0 IHAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000012922238 523626937 /nfs/dbraw/zinc/62/69/37/523626937.db2.gz POSPOIKFOCZQPU-HXUWFJFHSA-N 0 0 438.286 3.606 50 0 IHAARN COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)o1 ZINC000012299035 523628745 /nfs/dbraw/zinc/62/87/45/523628745.db2.gz GFBNZOSOSMWJNQ-MRXNPFEDSA-N 0 0 426.498 3.749 50 0 IHAARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)CC(C)C ZINC000035771065 523645710 /nfs/dbraw/zinc/64/57/10/523645710.db2.gz LKRRZRZPIAZNKS-UHFFFAOYSA-N 0 0 446.569 3.527 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(Cl)cc1)C(C)=O ZINC000035962141 523650620 /nfs/dbraw/zinc/65/06/20/523650620.db2.gz KBLKYUUSCCTQHF-QFIPXVFZSA-N 0 0 443.931 3.521 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)NC(C)C ZINC000035961756 523652490 /nfs/dbraw/zinc/65/24/90/523652490.db2.gz SRGJZIMTBTYSJD-LJQANCHMSA-N 0 0 446.548 3.631 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000035948812 523652671 /nfs/dbraw/zinc/65/26/71/523652671.db2.gz UZISONVGDQCGQQ-JOCHJYFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CCC(=O)NCc1ccco1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000036000783 523691996 /nfs/dbraw/zinc/69/19/96/523691996.db2.gz AIJBSUWXLYXXSV-UHFFFAOYSA-N 0 0 428.920 3.913 50 0 IHAARN COc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012779595 523692316 /nfs/dbraw/zinc/69/23/16/523692316.db2.gz NIOMESPDSBKAEU-UHFFFAOYSA-N 0 0 438.549 3.507 50 0 IHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccccc1 ZINC000035770025 523752594 /nfs/dbraw/zinc/75/25/94/523752594.db2.gz CZXSIZYKZSXRJK-UHFFFAOYSA-N 0 0 443.496 3.882 50 0 IHAARN COc1ccc(C(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)c(OC)c1 ZINC000012442846 523766636 /nfs/dbraw/zinc/76/66/36/523766636.db2.gz PTBGBROQJNTKGZ-UHFFFAOYSA-N 0 0 429.523 3.657 50 0 IHAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000012854466 523792034 /nfs/dbraw/zinc/79/20/34/523792034.db2.gz BBMGERYGVKMQMM-UHFFFAOYSA-N 0 0 444.553 3.562 50 0 IHAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000022998715 523798145 /nfs/dbraw/zinc/79/81/45/523798145.db2.gz YYYJQAPQQSLIKG-UHFFFAOYSA-N 0 0 443.544 3.660 50 0 IHAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)nc21 ZINC000020743910 523798520 /nfs/dbraw/zinc/79/85/20/523798520.db2.gz XOAYIYXWPHASON-UHFFFAOYSA-N 0 0 439.581 3.911 50 0 IHAARN CC[C@H](C(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1)c1ccccc1 ZINC000035426845 523806726 /nfs/dbraw/zinc/80/67/26/523806726.db2.gz IAPKVLSYYMBZJR-HNNXBMFYSA-N 0 0 441.538 3.872 50 0 IHAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2nc(N3CCSCC3)sc21 ZINC000035532879 523826069 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50 0 IHAARN CC[C@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000009665752 523907707 /nfs/dbraw/zinc/90/77/07/523907707.db2.gz JJOLBJYXRUYBPH-WCQYABFASA-N 0 0 433.020 3.856 50 0 IHAARN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1Cl ZINC000035405781 523914899 /nfs/dbraw/zinc/91/48/99/523914899.db2.gz WXSODYDZXBSBHH-OAQYLSRUSA-N 0 0 431.945 3.534 50 0 IHAARN COc1ccc(CCC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1Br ZINC000069484143 523924352 /nfs/dbraw/zinc/92/43/52/523924352.db2.gz YTPKNJJEBPLIBQ-IBGZPJMESA-N 0 0 429.318 3.723 50 0 IHAARN COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1OC ZINC000023645455 523927344 /nfs/dbraw/zinc/92/73/44/523927344.db2.gz NMJORXAFOGEFPI-NSHDSACASA-N 0 0 427.284 3.909 50 0 IHAARN COc1ccc(CCN(C)C(=O)COC(=O)/C=C\c2ccc(OC(F)F)cc2)cc1OC ZINC000033415408 523938513 /nfs/dbraw/zinc/93/85/13/523938513.db2.gz HEYMSQZKHHCHKK-XFFZJAGNSA-N 0 0 449.450 3.563 50 0 IHAARN CC[C@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)S(=O)(=O)c1cccc2cccnc21 ZINC000035332185 523941946 /nfs/dbraw/zinc/94/19/46/523941946.db2.gz QDEGDHFXADCHIJ-INIZCTEOSA-N 0 0 448.566 3.563 50 0 IHAARN COc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000012854156 523956628 /nfs/dbraw/zinc/95/66/28/523956628.db2.gz DIXOLDSQGIAIHO-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN CO[C@H](c1ccc2c(c1)CN(C(=O)c1ccc(-n3cnnn3)cc1)CCO2)C1CCCCC1 ZINC000012098802 523956791 /nfs/dbraw/zinc/95/67/91/523956791.db2.gz SJECJEIINPUPTG-DEOSSOPVSA-N 0 0 447.539 3.965 50 0 IHAARN CCc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020581519 523963370 /nfs/dbraw/zinc/96/33/70/523963370.db2.gz ZPUATEUBZLICQA-OALUTQOASA-N 0 0 438.471 3.876 50 0 IHAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1 ZINC000020578655 523965698 /nfs/dbraw/zinc/96/56/98/523965698.db2.gz CYIMRTRIZMSCCV-OAHLLOKOSA-N 0 0 436.493 3.602 50 0 IHAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccccc4)C[C@H]23)cc1 ZINC000035870643 523968137 /nfs/dbraw/zinc/96/81/37/523968137.db2.gz DTLPHAZFBLJDJI-AHKZPQOWSA-N 0 0 441.575 3.922 50 0 IHAARN COc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccc(F)cc2Cl)cc1OC ZINC000012730971 523968223 /nfs/dbraw/zinc/96/82/23/523968223.db2.gz ZACNCUOEUMFYIQ-QHCPKHFHSA-N 0 0 448.922 3.736 50 0 IHAARN CN(C)C(=O)CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC000012223942 523973657 /nfs/dbraw/zinc/97/36/57/523973657.db2.gz UGGVNSSFCFVJSU-HXUWFJFHSA-N 0 0 441.503 3.806 50 0 IHAARN CCc1ccc(NC(=O)Cn2c3c(c(=O)n4nc(-c5ccc(C)cc5)nc42)CCC3)cc1 ZINC000033324790 523976087 /nfs/dbraw/zinc/97/60/87/523976087.db2.gz CFGMLENAZVQFEV-UHFFFAOYSA-N 0 0 427.508 3.556 50 0 IHAARN CCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290930 524005869 /nfs/dbraw/zinc/00/58/69/524005869.db2.gz GOOLLTYQBKAWAB-OAHLLOKOSA-N 0 0 440.887 3.823 50 0 IHAARN CCc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)s1 ZINC000021153692 524014348 /nfs/dbraw/zinc/01/43/48/524014348.db2.gz CNUQKRJEAXFJBZ-NRFANRHFSA-N 0 0 429.611 3.727 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccc(C)cc2)c1C ZINC000036000774 524022252 /nfs/dbraw/zinc/02/22/52/524022252.db2.gz DVKHRBRJRSGXEB-UHFFFAOYSA-N 0 0 433.508 3.689 50 0 IHAARN CN(C)C(=O)c1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000022316893 524024111 /nfs/dbraw/zinc/02/41/11/524024111.db2.gz PCTXJMSSEPWIKG-UHFFFAOYSA-N 0 0 434.370 3.531 50 0 IHAARN COc1ccc(CN2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)CC2)cc1 ZINC000020502840 524033979 /nfs/dbraw/zinc/03/39/79/524033979.db2.gz UDQHBQBZNCWDGE-OAQYLSRUSA-N 0 0 428.536 3.720 50 0 IHAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)c(OC)c1 ZINC000012094152 524048392 /nfs/dbraw/zinc/04/83/92/524048392.db2.gz OEZYHYBJHZAHCV-QGZVFWFLSA-N 0 0 443.544 3.764 50 0 IHAARN CCc1cccc(C)c1-n1nnnc1C1(N2CCN(C(=O)c3ccco3)CC2)CCCCC1 ZINC000035622788 524062139 /nfs/dbraw/zinc/06/21/39/524062139.db2.gz FMIXDNQETXVLNI-UHFFFAOYSA-N 0 0 448.571 3.744 50 0 IHAARN COc1ccc(CNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)c(OC)c1 ZINC000021872610 524066277 /nfs/dbraw/zinc/06/62/77/524066277.db2.gz BUCLURORAZPLKR-UHFFFAOYSA-N 0 0 449.532 3.668 50 0 IHAARN COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1 ZINC000020355915 524106008 /nfs/dbraw/zinc/10/60/08/524106008.db2.gz GXNLOSIKQAXGIA-UHFFFAOYSA-N 0 0 445.504 3.731 50 0 IHAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1 ZINC000015670582 524114572 /nfs/dbraw/zinc/11/45/72/524114572.db2.gz VKRAXFWGXRZTOY-SFHVURJKSA-N 0 0 430.443 3.655 50 0 IHAARN Cc1ccc(C)c(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c1 ZINC000012414854 524119289 /nfs/dbraw/zinc/11/92/89/524119289.db2.gz YEFUERAMMAQMQJ-UHFFFAOYSA-N 0 0 449.532 3.755 50 0 IHAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c1 ZINC000022906750 524131739 /nfs/dbraw/zinc/13/17/39/524131739.db2.gz HCPMBGJWHNSGOA-XMMPIXPASA-N 0 0 428.536 3.553 50 0 IHAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000020765653 524138046 /nfs/dbraw/zinc/13/80/46/524138046.db2.gz JPSSQEIKJWMYEF-TYCQWZJGSA-N 0 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Cc1ccc(CC(=O)Nc2ccc3nc(N4CCC[N@@H+](C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000021886117 524275137 /nfs/dbraw/zinc/27/51/37/524275137.db2.gz VQRXUSJGWNDGSX-UHFFFAOYSA-N 0 0 432.524 3.565 50 0 IHAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c(C)c1 ZINC000020486042 524278041 /nfs/dbraw/zinc/27/80/41/524278041.db2.gz XQFKJIXDGBZVOY-QHCPKHFHSA-N 0 0 428.536 3.866 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)c1 ZINC000035518818 524283816 /nfs/dbraw/zinc/28/38/16/524283816.db2.gz UEMBTPHAFBRFLE-UHFFFAOYSA-N 0 0 443.613 3.680 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2nc3cn(C)nc3c(=O)n2CCC(C)C)c(C)c1 ZINC000033265334 524289756 /nfs/dbraw/zinc/28/97/56/524289756.db2.gz FYTWCBGGQKGYGP-UHFFFAOYSA-N 0 0 427.574 3.832 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c(C)c1 ZINC000035456104 524292230 /nfs/dbraw/zinc/29/22/30/524292230.db2.gz UXDUMKCQTGZYCU-UHFFFAOYSA-N 0 0 430.552 3.674 50 0 IHAARN COc1ccccc1-c1noc(COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000018773507 524293277 /nfs/dbraw/zinc/29/32/77/524293277.db2.gz ZKDSVHNWZCIGPC-UHFFFAOYSA-N 0 0 436.251 3.525 50 0 IHAARN COc1ccccc1-c1noc(CSc2nc(CN3CCOCC3)nc3ccccc32)n1 ZINC000022374445 524295772 /nfs/dbraw/zinc/29/57/72/524295772.db2.gz QSMHEBKCSSISOK-UHFFFAOYSA-N 0 0 449.536 3.813 50 0 IHAARN COc1ccccc1-c1noc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000020888935 524296205 /nfs/dbraw/zinc/29/62/05/524296205.db2.gz JJPAOIKITQUNTO-LLVKDONJSA-N 0 0 438.303 3.547 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(F)cc1F)[nH]c2=O ZINC000021716233 524307669 /nfs/dbraw/zinc/30/76/69/524307669.db2.gz HPZSKRLJXUMQND-UHFFFAOYSA-N 0 0 443.435 3.539 50 0 IHAARN Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c(Cl)c1 ZINC000012651732 524308859 /nfs/dbraw/zinc/30/88/59/524308859.db2.gz YVNNUUVUIWPLFV-UHFFFAOYSA-N 0 0 427.917 3.818 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1C ZINC000035526976 524317341 /nfs/dbraw/zinc/31/73/41/524317341.db2.gz JSMOKIOOTQTKEJ-QHCPKHFHSA-N 0 0 432.561 3.858 50 0 IHAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NC[C@H]4CCCO4)cc3)c2n1 ZINC000020992876 524342147 /nfs/dbraw/zinc/34/21/47/524342147.db2.gz VDENHSSEAQYSPG-OAQYLSRUSA-N 0 0 429.524 3.796 50 0 IHAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)c(=O)n(-c3ccccc3)c2n1 ZINC000012462387 524343038 /nfs/dbraw/zinc/34/30/38/524343038.db2.gz KPAOCRLLLGJNQQ-UHFFFAOYSA-N 0 0 448.910 3.765 50 0 IHAARN Cc1cc(C)cc(-n2ccn3c(CCCC(=O)NCc4ccc(Cl)cc4)nnc3c2=O)c1 ZINC000021640648 524358457 /nfs/dbraw/zinc/35/84/57/524358457.db2.gz ZBPWUJTYVCXEHS-UHFFFAOYSA-N 0 0 449.942 3.790 50 0 IHAARN COc1ccccc1CN(Cc1nc(C(=O)N2CCCC2)co1)Cc1ccc2c(c1)OCO2 ZINC000036053802 524443235 /nfs/dbraw/zinc/44/32/35/524443235.db2.gz GVCGSKZMVRMRMW-UHFFFAOYSA-N 0 0 449.507 3.850 50 0 IHAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 ZINC000024611889 524451970 /nfs/dbraw/zinc/45/19/70/524451970.db2.gz TWXZFAGXVFGPEZ-FQEVSTJZSA-N 0 0 428.598 3.674 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020583570 524469747 /nfs/dbraw/zinc/46/97/47/524469747.db2.gz UFXJQISGHPYBSM-LJQANCHMSA-N 0 0 437.525 3.945 50 0 IHAARN Cc1ccc(CN2C[C@@H](C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600970 524478694 /nfs/dbraw/zinc/47/86/94/524478694.db2.gz NGSNAJQLGPMAKB-SIKLNZKXSA-N 0 0 436.943 3.636 50 0 IHAARN C[C@H]1CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000012650776 524480443 /nfs/dbraw/zinc/48/04/43/524480443.db2.gz ZJRZDWFDSHAJRB-KBPBESRZSA-N 0 0 437.418 3.637 50 0 IHAARN COc1ccccc1CNc1ncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1 ZINC000021036102 524492034 /nfs/dbraw/zinc/49/20/34/524492034.db2.gz DSMCTTNWKPNMQF-UHFFFAOYSA-N 0 0 435.503 3.507 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 ZINC000012523142 524528023 /nfs/dbraw/zinc/52/80/23/524528023.db2.gz FSWGCTFNGTYMIL-UHFFFAOYSA-N 0 0 431.901 3.821 50 0 IHAARN Cc1cc(C)n(CCNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)n1 ZINC000012001142 524529605 /nfs/dbraw/zinc/52/96/05/524529605.db2.gz SFFUHPGWBMLRFT-MHZLTWQESA-N 0 0 444.579 3.955 50 0 IHAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1Cl ZINC000023125838 524530700 /nfs/dbraw/zinc/53/07/00/524530700.db2.gz SOCRAHVBXMXSQD-UHFFFAOYSA-N 0 0 436.855 3.866 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)COCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000032987725 524530789 /nfs/dbraw/zinc/53/07/89/524530789.db2.gz PBPCURZCYXEABJ-HNNXBMFYSA-N 0 0 442.516 3.584 50 0 IHAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)Nc2ccccc2)C3=O)c1 ZINC000020573908 524532823 /nfs/dbraw/zinc/53/28/23/524532823.db2.gz PXYCTXJRAISJPF-VWLOTQADSA-N 0 0 443.528 3.913 50 0 IHAARN C[C@@H](CCc1ccco1)NC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776511 524542717 /nfs/dbraw/zinc/54/27/17/524542717.db2.gz JGOAHIXXUCRBNT-INIZCTEOSA-N 0 0 436.491 3.539 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)CC1 ZINC000033313044 524552445 /nfs/dbraw/zinc/55/24/45/524552445.db2.gz RMEGLAUUCKQOOL-UHFFFAOYSA-N 0 0 443.551 3.715 50 0 IHAARN Cc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Br)cc4)nc3C)no2)o1 ZINC000020946732 524568378 /nfs/dbraw/zinc/56/83/78/524568378.db2.gz XDTBELPQNCXLFJ-UHFFFAOYSA-N 0 0 442.273 3.825 50 0 IHAARN Cc1cc(C)n2nc(CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)nc2n1 ZINC000033014214 524570652 /nfs/dbraw/zinc/57/06/52/524570652.db2.gz UCKDQAQVOPFOHG-UHFFFAOYSA-N 0 0 427.917 3.790 50 0 IHAARN Cc1cc(C2=NNC(=NCCCN3CCOCC3)SC2)c(C)n1[C@H](C)c1ccccc1 ZINC000012745955 524604999 /nfs/dbraw/zinc/60/49/99/524604999.db2.gz FTWKEQMHWWMHRG-LJQANCHMSA-N 0 0 439.629 3.833 50 0 IHAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccc3cccnc32)C(C)C)cc1Cl ZINC000020995258 524609873 /nfs/dbraw/zinc/60/98/73/524609873.db2.gz UKUFQYAMYQHCAX-LJQANCHMSA-N 0 0 447.944 3.838 50 0 IHAARN COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@@H]3C2)c(OC)c1 ZINC000016949531 524621416 /nfs/dbraw/zinc/62/14/16/524621416.db2.gz HARNOLVNZSGSSF-KYTVRQNUSA-N 0 0 434.536 3.829 50 0 IHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000012821832 524628012 /nfs/dbraw/zinc/62/80/12/524628012.db2.gz UYXTWXPUVSFJIJ-UHFFFAOYSA-N 0 0 445.475 3.702 50 0 IHAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)C)C3CC3)n2C(C)C)cc1 ZINC000036040605 524638803 /nfs/dbraw/zinc/63/88/03/524638803.db2.gz OMGWOFGKEKGEKK-UHFFFAOYSA-N 0 0 432.590 3.829 50 0 IHAARN Cc1cccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC000035131266 524717052 /nfs/dbraw/zinc/71/70/52/524717052.db2.gz VGZFUIIJZCGWFG-LDADJPATSA-N 0 0 430.913 3.880 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 ZINC000021938781 524749746 /nfs/dbraw/zinc/74/97/46/524749746.db2.gz NMJZGGAVJJDCSC-UHFFFAOYSA-N 0 0 446.960 3.679 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NC(C)C)Cc3ccco3)no2)c1 ZINC000036015139 524788486 /nfs/dbraw/zinc/78/84/86/524788486.db2.gz UXSSRFADLMHULT-UHFFFAOYSA-N 0 0 441.484 3.509 50 0 IHAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(C)C(=O)NC(C)C ZINC000035947347 524807871 /nfs/dbraw/zinc/80/78/71/524807871.db2.gz KPBGAHQCHFOWGU-HXUWFJFHSA-N 0 0 426.492 3.562 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(C)c3)o2)c1 ZINC000020514543 524819584 /nfs/dbraw/zinc/81/95/84/524819584.db2.gz LJOGVZOOEKAZJU-PMERELPUSA-N 0 0 427.522 3.886 50 0 IHAARN COc1ccc(OC)c(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c1 ZINC000012743977 524838837 /nfs/dbraw/zinc/83/88/37/524838837.db2.gz IOMWWUUFTXBFNW-UHFFFAOYSA-N 0 0 430.505 3.553 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)c1 ZINC000012230520 524855722 /nfs/dbraw/zinc/85/57/22/524855722.db2.gz ZMSKCPKBVUGUSR-UHFFFAOYSA-N 0 0 426.444 3.531 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012549915 524861283 /nfs/dbraw/zinc/86/12/83/524861283.db2.gz MABXFTOUUZDPFQ-OAHLLOKOSA-N 0 0 437.462 3.872 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045306 524897399 /nfs/dbraw/zinc/89/73/99/524897399.db2.gz DFURZOAQNUCNNI-BJKOFHAPSA-N 0 0 444.531 3.876 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000020940539 524898351 /nfs/dbraw/zinc/89/83/51/524898351.db2.gz ZGXSFUQCBIAQEH-GFCCVEGCSA-N 0 0 438.958 3.741 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045307 524916888 /nfs/dbraw/zinc/91/68/88/524916888.db2.gz DFURZOAQNUCNNI-DNQXCXABSA-N 0 0 444.531 3.876 50 0 IHAARN C[C@@H]1CN(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000036047503 524949155 /nfs/dbraw/zinc/94/91/55/524949155.db2.gz CXYDQSAATGZGSO-VXGBXAGGSA-N 0 0 448.429 3.502 50 0 IHAARN COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000035806633 524958506 /nfs/dbraw/zinc/95/85/06/524958506.db2.gz ARLLKCHGELUOPY-UHFFFAOYSA-N 0 0 444.447 3.933 50 0 IHAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4ccncc4)C3=O)CC2)cc1Cl ZINC000020311140 524962797 /nfs/dbraw/zinc/96/27/97/524962797.db2.gz VIULKLVJADJYBE-XDHOZWIPSA-N 0 0 428.945 3.859 50 0 IHAARN C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000012798266 524962626 /nfs/dbraw/zinc/96/26/26/524962626.db2.gz QZDIJEALAJNNMM-ZDUSSCGKSA-N 0 0 434.323 3.727 50 0 IHAARN COc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000012761692 524967161 /nfs/dbraw/zinc/96/71/61/524967161.db2.gz VXKXIRRLGIUTFV-INIZCTEOSA-N 0 0 426.469 3.713 50 0 IHAARN C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1Cl ZINC000012895839 525014707 /nfs/dbraw/zinc/01/47/07/525014707.db2.gz DHIYKKDCFFBGMA-ZDUSSCGKSA-N 0 0 427.979 3.615 50 0 IHAARN Cc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1 ZINC000036038930 525026528 /nfs/dbraw/zinc/02/65/28/525026528.db2.gz JGZTWFFJYPIUFZ-UHFFFAOYSA-N 0 0 430.574 3.912 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000012691974 525027651 /nfs/dbraw/zinc/02/76/51/525027651.db2.gz UTHDRFPXCQPIEY-UHFFFAOYSA-N 0 0 442.581 3.930 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CSc1nnc(N)s1 ZINC000012456841 525033344 /nfs/dbraw/zinc/03/33/44/525033344.db2.gz JKJFMXSSWSUUJW-AWEZNQCLSA-N 0 0 428.587 3.536 50 0 IHAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000012862397 525046399 /nfs/dbraw/zinc/04/63/99/525046399.db2.gz OECHSYXWHLDOOR-LJQANCHMSA-N 0 0 434.536 3.758 50 0 IHAARN COc1ccc(S(=O)(=O)NCCCCCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000020664382 525057543 /nfs/dbraw/zinc/05/75/43/525057543.db2.gz AOUHXQORRYSBBH-UHFFFAOYSA-N 0 0 438.977 3.546 50 0 IHAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000012911248 525061296 /nfs/dbraw/zinc/06/12/96/525061296.db2.gz SNLPQDDMPRIANC-NBERTQSDSA-N 0 0 438.568 3.619 50 0 IHAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2)cc1 ZINC000012409216 525066634 /nfs/dbraw/zinc/06/66/34/525066634.db2.gz CFTBFEDWFGZGPZ-UHFFFAOYSA-N 0 0 435.505 3.907 50 0 IHAARN Cc1ccccc1CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021049855 525116462 /nfs/dbraw/zinc/11/64/62/525116462.db2.gz VGRXRFZSLDOPKD-UHFFFAOYSA-N 0 0 436.943 3.864 50 0 IHAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012816987 525125136 /nfs/dbraw/zinc/12/51/36/525125136.db2.gz IFRYDSNVTZBPAI-KRWDZBQOSA-N 0 0 449.473 3.665 50 0 IHAARN Cc1cc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)ccc1Br ZINC000012516872 525135871 /nfs/dbraw/zinc/13/58/71/525135871.db2.gz NYZQILUKSPXDEB-UHFFFAOYSA-N 0 0 432.362 3.665 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000023934991 525188294 /nfs/dbraw/zinc/18/82/94/525188294.db2.gz KBRUMEKGPKAHCR-RUZDIDTESA-N 0 0 444.531 3.730 50 0 IHAARN COc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 ZINC000022471127 525197031 /nfs/dbraw/zinc/19/70/31/525197031.db2.gz KKEJFLZLDFBMFG-DENIHFKCSA-N 0 0 447.539 3.578 50 0 IHAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(OC(F)F)cc1 ZINC000012825367 525200882 /nfs/dbraw/zinc/20/08/82/525200882.db2.gz XWZLLMKXJDKDBK-NSHDSACASA-N 0 0 432.876 3.683 50 0 IHAARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2cccc3ccccc32)c1=O ZINC000012072136 525210831 /nfs/dbraw/zinc/21/08/31/525210831.db2.gz FTJIKIQKAGWXLD-UHFFFAOYSA-N 0 0 437.503 3.533 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000012731232 525219474 /nfs/dbraw/zinc/21/94/74/525219474.db2.gz WFLOSUDEVSEJPI-FXAWDEMLSA-N 0 0 438.549 3.788 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000015895810 525222672 /nfs/dbraw/zinc/22/26/72/525222672.db2.gz ZICWYZHINYZNTN-MRXNPFEDSA-N 0 0 439.331 3.676 50 0 IHAARN C[C@]1(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012042398 525239484 /nfs/dbraw/zinc/23/94/84/525239484.db2.gz RSTDJSUCDATTSP-OAQYLSRUSA-N 0 0 449.935 3.904 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NCc2ccccc2)c(OC)c1 ZINC000036059809 525257463 /nfs/dbraw/zinc/25/74/63/525257463.db2.gz NNELAFXLGBSAON-ZEQRLZLVSA-N 0 0 444.531 3.876 50 0 biogenic IHAARN COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000017197805 525270482 /nfs/dbraw/zinc/27/04/82/525270482.db2.gz ZRSWUJMCGVEDDR-WNSKOXEYSA-N 0 0 439.537 3.669 50 0 IHAARN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl ZINC000012891027 525279692 /nfs/dbraw/zinc/27/96/92/525279692.db2.gz VKQXRROIIMVFEN-XUSGNXJCSA-N 0 0 432.307 3.780 50 0 IHAARN CS(=O)(=O)c1ncc(CN2CCCC[C@H]2c2nccs2)n1Cc1ccccc1F ZINC000012433267 525283598 /nfs/dbraw/zinc/28/35/98/525283598.db2.gz RAZMCVBZNJNFOU-SFHVURJKSA-N 0 0 434.562 3.658 50 0 IHAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)cc1 ZINC000015670111 525403202 /nfs/dbraw/zinc/40/32/02/525403202.db2.gz UCCJWHFDSDUDAI-LJQANCHMSA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc([C@H]2CCCN2C(=O)Cn2cnc3c4ccccc4oc3c2=O)c(OC)c1 ZINC000012929400 525409921 /nfs/dbraw/zinc/40/99/21/525409921.db2.gz CELGWHRPLFMJLC-GOSISDBHSA-N 0 0 433.464 3.524 50 0 IHAARN Cc1[nH]c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c(C)c1C(=O)OC(C)C ZINC000022301149 525413918 /nfs/dbraw/zinc/41/39/18/525413918.db2.gz GBJYBKTUHXJQLO-STQMWFEESA-N 0 0 434.562 3.515 50 0 IHAARN Cc1ccc(OCCN(C)C(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)cc1 ZINC000012507804 525416677 /nfs/dbraw/zinc/41/66/77/525416677.db2.gz MJRJDMBWFDGXQT-UHFFFAOYSA-N 0 0 438.553 3.610 50 0 IHAARN Cc1cc(SCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc12 ZINC000012632560 525434872 /nfs/dbraw/zinc/43/48/72/525434872.db2.gz UQWMUXZJDGOCGE-HNNXBMFYSA-N 0 0 429.542 3.726 50 0 IHAARN Cc1ccc(OCc2nc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 ZINC000012864146 525448208 /nfs/dbraw/zinc/44/82/08/525448208.db2.gz XHIZDWIVSMHPDU-UHFFFAOYSA-N 0 0 435.427 3.816 50 0 IHAARN COc1ccc2[nH]cc(CCNC(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)c2c1 ZINC000012296409 525492765 /nfs/dbraw/zinc/49/27/65/525492765.db2.gz ZXNPUUPTGKPRGQ-UHFFFAOYSA-N 0 0 434.492 3.891 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 ZINC000012746264 525494900 /nfs/dbraw/zinc/49/49/00/525494900.db2.gz LESFWDBHEPWUHD-UHFFFAOYSA-N 0 0 448.548 3.877 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)c(=O)oc2c1 ZINC000012835170 525497280 /nfs/dbraw/zinc/49/72/80/525497280.db2.gz VIRNMFILTFANIY-INIZCTEOSA-N 0 0 435.476 3.564 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000017043772 525510968 /nfs/dbraw/zinc/51/09/68/525510968.db2.gz QXATXXJODSVBTF-FQEVSTJZSA-N 0 0 439.512 3.740 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3C)CC2)c(C)c1 ZINC000012788826 525518633 /nfs/dbraw/zinc/51/86/33/525518633.db2.gz UXPNWFRMSANTQA-QGZVFWFLSA-N 0 0 432.611 3.912 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000012768661 525522625 /nfs/dbraw/zinc/52/26/25/525522625.db2.gz QBWIQAAWQGRWEU-UHFFFAOYSA-N 0 0 444.597 3.775 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCc2nc3ccccc3s2)cc1 ZINC000016686159 525529228 /nfs/dbraw/zinc/52/92/28/525529228.db2.gz HAWZVTJNBJILPO-SFHVURJKSA-N 0 0 430.551 3.891 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233097 525531086 /nfs/dbraw/zinc/53/10/86/525531086.db2.gz RNRCFYSHVJZXGZ-QAPCUYQASA-N 0 0 443.532 3.597 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012565975 525552606 /nfs/dbraw/zinc/55/26/06/525552606.db2.gz IIMPPFQWKNZRMI-RVKKMQEKSA-N 0 0 440.993 3.524 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000021279060 525552744 /nfs/dbraw/zinc/55/27/44/525552744.db2.gz DACIOCSJQWTCMT-QGZVFWFLSA-N 0 0 445.928 3.985 50 0 IHAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000027400588 525586934 /nfs/dbraw/zinc/58/69/34/525586934.db2.gz OHROTIONZZEGSB-KRWDZBQOSA-N 0 0 426.460 3.961 50 0 IHAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000022441253 525587595 /nfs/dbraw/zinc/58/75/95/525587595.db2.gz VBHHVIGIUACXTO-IBGZPJMESA-N 0 0 438.952 3.754 50 0 IHAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4F)cc3)nc2c1 ZINC000021100359 525607424 /nfs/dbraw/zinc/60/74/24/525607424.db2.gz CPJOLQSHNQZOBV-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000021826268 525609639 /nfs/dbraw/zinc/60/96/39/525609639.db2.gz FODNERFBGCBROE-RTBURBONSA-N 0 0 448.498 3.953 50 0 IHAARN COc1ccc2c(cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ncc(C)s3)n2C)c1 ZINC000035686264 525613257 /nfs/dbraw/zinc/61/32/57/525613257.db2.gz WIXSOCBVJZKTON-LJQANCHMSA-N 0 0 448.548 3.932 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)cc1 ZINC000035462831 525630256 /nfs/dbraw/zinc/63/02/56/525630256.db2.gz OCUNIZMIHYSCNB-UHFFFAOYSA-N 0 0 446.475 3.523 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NC2CCCCCC2)c2cccs2)cc1 ZINC000017043049 525630494 /nfs/dbraw/zinc/63/04/94/525630494.db2.gz SXQUPWHTHBJWCX-HXUWFJFHSA-N 0 0 448.610 3.527 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NCc4ccco4)nc23)cc1C ZINC000020516310 525636327 /nfs/dbraw/zinc/63/63/27/525636327.db2.gz LUKGCMROAFXMJN-UHFFFAOYSA-N 0 0 439.522 3.994 50 0 IHAARN Cc1cc2nc(COc3cccc(NC(=O)COc4ccc(C)cc4C)c3)cc(=O)n2o1 ZINC000035378580 525673370 /nfs/dbraw/zinc/67/33/70/525673370.db2.gz DWKBDDMENJAJRP-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(COc3ccc(NC(=O)[C@@H](C)Oc4ccc(C)cc4)cc3)cc(=O)n2o1 ZINC000035378612 525673700 /nfs/dbraw/zinc/67/37/00/525673700.db2.gz IRFGILJBQORIKD-QGZVFWFLSA-N 0 0 433.464 3.889 50 0 IHAARN Cc1cc2nc(COc3ccccc3NC(=O)COc3cccc(C)c3C)cc(=O)n2o1 ZINC000035378563 525674093 /nfs/dbraw/zinc/67/40/93/525674093.db2.gz RJPMFSMLGRCWIF-UHFFFAOYSA-N 0 0 433.464 3.809 50 0 IHAARN Cc1cc2nc(CSc3nnc(NC(=O)c4ccccc4Cl)s3)cc(=O)n2o1 ZINC000020984491 525676981 /nfs/dbraw/zinc/67/69/81/525676981.db2.gz JTNRDQAQVVWSGI-UHFFFAOYSA-N 0 0 433.902 3.645 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)no2)c1 ZINC000036002402 525703154 /nfs/dbraw/zinc/70/31/54/525703154.db2.gz ZRZBPAHBOWDBAH-HSZRJFAPSA-N 0 0 447.535 3.950 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000020893753 525744670 /nfs/dbraw/zinc/74/46/70/525744670.db2.gz YKJBHYBDUFGUHR-UHFFFAOYSA-N 0 0 443.956 3.705 50 0 IHAARN Cc1c(Cl)c(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc2ccccc12 ZINC000022888697 525745018 /nfs/dbraw/zinc/74/50/18/525745018.db2.gz ACCIFHFWZACWNQ-UHFFFAOYSA-N 0 0 449.985 3.905 50 0 IHAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000021809698 525794328 /nfs/dbraw/zinc/79/43/28/525794328.db2.gz XCPGMEXDGPUGCC-HXOBKFHXSA-N 0 0 429.586 3.935 50 0 IHAARN COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(F)c(OC)c4)oc3C)CC2)c1 ZINC000020998856 525802319 /nfs/dbraw/zinc/80/23/19/525802319.db2.gz ABSWKZDMVKRPGL-UHFFFAOYSA-N 0 0 439.487 3.764 50 0 IHAARN COc1cccc(C(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)c1OC ZINC000012223794 525804184 /nfs/dbraw/zinc/80/41/84/525804184.db2.gz ZGQXSIJDAMDUSK-UHFFFAOYSA-N 0 0 434.496 3.557 50 0 IHAARN COc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)c1 ZINC000022147994 525810566 /nfs/dbraw/zinc/81/05/66/525810566.db2.gz PUDXDHKGQAGQKW-QGZVFWFLSA-N 0 0 443.219 3.959 50 0 IHAARN Cc1ccsc1C(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000020599269 525819070 /nfs/dbraw/zinc/81/90/70/525819070.db2.gz OHURZKIPBZGHGJ-QFIPXVFZSA-N 0 0 444.597 3.589 50 0 IHAARN Cc1ccc(-c2noc(CCN(CCCN3CCOCC3)C(=O)CC(C)(C)C)n2)cc1 ZINC000035805825 525878250 /nfs/dbraw/zinc/87/82/50/525878250.db2.gz CSDNJJDZHSFRMP-UHFFFAOYSA-N 0 0 428.577 3.575 50 0 IHAARN C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)NC(=O)NC1CCCCC1 ZINC000021867217 525892774 /nfs/dbraw/zinc/89/27/74/525892774.db2.gz IBJVNBKIRHJAPB-AWEZNQCLSA-N 0 0 449.598 3.726 50 0 IHAARN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C(C)=O)s2)CC3)c1 ZINC000012050591 525899235 /nfs/dbraw/zinc/89/92/35/525899235.db2.gz AIZCAOLUVFJFSU-IBGZPJMESA-N 0 0 440.565 3.561 50 0 IHAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)nnc2N2CCCCC2)cc1 ZINC000012561709 525903719 /nfs/dbraw/zinc/90/37/19/525903719.db2.gz AUWPWZUHLRQQME-MRXNPFEDSA-N 0 0 444.605 3.671 50 0 IHAARN COc1cccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016752813 525906022 /nfs/dbraw/zinc/90/60/22/525906022.db2.gz SSRASTZNNVPGPF-FQEVSTJZSA-N 0 0 431.554 3.560 50 0 IHAARN COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016752801 525906225 /nfs/dbraw/zinc/90/62/25/525906225.db2.gz CAVLHPSFSORXFL-SFHVURJKSA-N 0 0 427.522 3.888 50 0 IHAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)cn2)cc1 ZINC000035403720 525908703 /nfs/dbraw/zinc/90/87/03/525908703.db2.gz XGWQGSVOYBKVBU-UHFFFAOYSA-N 0 0 430.508 3.680 50 0 IHAARN C[C@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C ZINC000017103222 525926286 /nfs/dbraw/zinc/92/62/86/525926286.db2.gz SZIILPLQZACWFU-LBPRGKRZSA-N 0 0 439.379 3.869 50 0 IHAARN Cc1ccc(-n2ncc3c2N=C(SCC(=O)NC(C)C)N2CCCN=C32)cc1Cl ZINC000012390840 525931467 /nfs/dbraw/zinc/93/14/67/525931467.db2.gz LEJMYNYNMJHFMU-UHFFFAOYSA-N 0 0 430.965 3.545 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(F)c(Cl)c4)no2)c3=O)cc1 ZINC000033293064 525933963 /nfs/dbraw/zinc/93/39/63/525933963.db2.gz JETFISMXYSRQOO-UHFFFAOYSA-N 0 0 436.834 3.781 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)N1CCc3ccccc31)nc2C ZINC000020563886 525935360 /nfs/dbraw/zinc/93/53/60/525935360.db2.gz MUOBECZBCYRPCZ-UHFFFAOYSA-N 0 0 441.535 3.877 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCc1ccc(Cl)cc1)nc2C ZINC000020563206 525936998 /nfs/dbraw/zinc/93/69/98/525936998.db2.gz ZSFNOKRAGZCKEV-KRWDZBQOSA-N 0 0 449.942 3.772 50 0 IHAARN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 ZINC000020648223 525939753 /nfs/dbraw/zinc/93/97/53/525939753.db2.gz GSBYKYHKLVTHDM-INIZCTEOSA-N 0 0 433.302 3.900 50 0 IHAARN C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)cc1F ZINC000012740113 525949191 /nfs/dbraw/zinc/94/91/91/525949191.db2.gz ZZJOMSQFLNJTQV-LLVKDONJSA-N 0 0 427.373 3.789 50 0 IHAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020622512 525966043 /nfs/dbraw/zinc/96/60/43/525966043.db2.gz ZYYXSULRFFJDID-VMPITWQZSA-N 0 0 432.520 3.597 50 0 IHAARN Cc1ccc([C@H](NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 ZINC000057383271 525967659 /nfs/dbraw/zinc/96/76/59/525967659.db2.gz YXDDXHUACXORDP-AOYPEHQESA-N 0 0 448.588 3.894 50 0 IHAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000022358719 526000502 /nfs/dbraw/zinc/00/05/02/526000502.db2.gz JFXAMIZMQAXARS-SFHVURJKSA-N 0 0 448.592 3.922 50 0 IHAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000012364867 526001174 /nfs/dbraw/zinc/00/11/74/526001174.db2.gz MNBVVFPIOHHHOR-CQSZACIVSA-N 0 0 428.945 3.841 50 0 IHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000021601462 526003119 /nfs/dbraw/zinc/00/31/19/526003119.db2.gz ZZWIRAGXCCRAEU-NSHDSACASA-N 0 0 438.962 3.586 50 0 IHAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O ZINC000012600946 526009136 /nfs/dbraw/zinc/00/91/36/526009136.db2.gz ZHDKBVFURPBVHU-JSGCOSHPSA-N 0 0 447.630 3.727 50 0 IHAARN Cc1ccc([C@](O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1 ZINC000012546018 526049272 /nfs/dbraw/zinc/04/92/72/526049272.db2.gz KFNKLNYNNHRYPY-LJQANCHMSA-N 0 0 445.869 3.913 50 0 IHAARN Cc1cc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c(C)n1C ZINC000012697399 526050036 /nfs/dbraw/zinc/05/00/36/526050036.db2.gz ZXORCAVZUVWZNF-UHFFFAOYSA-N 0 0 444.582 3.802 50 0 IHAARN Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccccc3N3CCOCC3)c2C)no1 ZINC000010036791 526069030 /nfs/dbraw/zinc/06/90/30/526069030.db2.gz USTOZJCOAHHSNP-MDZDMXLPSA-N 0 0 434.540 3.899 50 0 IHAARN COc1cccc(C[C@]2(CCC(=O)N3CCOc4ccc(Cl)cc4C3)CCC(=O)N2)c1 ZINC000011967055 526080716 /nfs/dbraw/zinc/08/07/16/526080716.db2.gz RRPQVJNABXTFSS-XMMPIXPASA-N 0 0 442.943 3.741 50 0 IHAARN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000014999671 526101532 /nfs/dbraw/zinc/10/15/32/526101532.db2.gz DEHSQPXMHROPMC-QUCCMNQESA-N 0 0 427.570 3.841 50 0 IHAARN Cc1ccc2c(C)nc(N3CCC(C(=O)NCC[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000012281185 526120179 /nfs/dbraw/zinc/12/01/79/526120179.db2.gz DSWZTPWQYMYCEN-FQEVSTJZSA-N 0 0 446.551 3.809 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)nn1-c1ccccc1F ZINC000012766415 526133471 /nfs/dbraw/zinc/13/34/71/526133471.db2.gz LONLCWGKYUNUDF-UHFFFAOYSA-N 0 0 434.471 3.558 50 0 IHAARN Cc1cc(=O)n2nc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)sc2n1 ZINC000021825308 526146043 /nfs/dbraw/zinc/14/60/43/526146043.db2.gz KTMVRAJGNQDWMK-UHFFFAOYSA-N 0 0 446.561 3.923 50 0 IHAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(Cl)cc12 ZINC000021391239 526147685 /nfs/dbraw/zinc/14/76/85/526147685.db2.gz YXIFUGMYXKEARX-CYBMUJFWSA-N 0 0 429.856 3.782 50 0 IHAARN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccn1C)N1CCc2ccccc2C1 ZINC000021155624 526166100 /nfs/dbraw/zinc/16/61/00/526166100.db2.gz QZMJVVORTROZLM-QFIPXVFZSA-N 0 0 448.592 3.601 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000012785281 526167670 /nfs/dbraw/zinc/16/76/70/526167670.db2.gz MVJFFNVMQRBLES-UHFFFAOYSA-N 0 0 435.293 3.957 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1 ZINC000021089332 526181029 /nfs/dbraw/zinc/18/10/29/526181029.db2.gz ILOMQGFCOZAUBG-OAHLLOKOSA-N 0 0 438.509 3.638 50 0 IHAARN COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)Cc3ccccc3)c2)c1 ZINC000020664629 526202382 /nfs/dbraw/zinc/20/23/82/526202382.db2.gz GWAKICFGGUWIJY-UHFFFAOYSA-N 0 0 428.485 3.907 50 0 IHAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)c(C)n1C1CC1 ZINC000012809741 526214198 /nfs/dbraw/zinc/21/41/98/526214198.db2.gz IDIPZSUCKQSVLS-UHFFFAOYSA-N 0 0 429.571 3.610 50 0 IHAARN Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)NC3CCCC3)nn12 ZINC000033274327 526218804 /nfs/dbraw/zinc/21/88/04/526218804.db2.gz FVZIJBCXYPYKDR-UHFFFAOYSA-N 0 0 435.915 3.727 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)n1 ZINC000012867330 526221078 /nfs/dbraw/zinc/22/10/78/526221078.db2.gz ZVYCTPUWKIJVCO-UHFFFAOYSA-N 0 0 447.973 3.906 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)NCc4cccc(F)c4)CC3)nc2)cc1 ZINC000023319648 526222214 /nfs/dbraw/zinc/22/22/14/526222214.db2.gz FIXQQZLTXGADCQ-UHFFFAOYSA-N 0 0 447.514 3.813 50 0 IHAARN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)n(C)n1 ZINC000012439886 526237343 /nfs/dbraw/zinc/23/73/43/526237343.db2.gz RDCSSVYVNSRTAD-UHFFFAOYSA-N 0 0 442.523 3.763 50 0 IHAARN Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)N3CCCCCC3)n2N)c1 ZINC000021605470 526248718 /nfs/dbraw/zinc/24/87/18/526248718.db2.gz MGWRMQQXWJLWLV-KRWDZBQOSA-N 0 0 431.606 3.886 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc12 ZINC000022357361 526271968 /nfs/dbraw/zinc/27/19/68/526271968.db2.gz KTJZUDKVPIDMJD-HXUWFJFHSA-N 0 0 426.586 3.866 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000012566709 526292980 /nfs/dbraw/zinc/29/29/80/526292980.db2.gz GZFVJIIKWKKQOR-UHFFFAOYSA-N 0 0 429.423 3.945 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012523367 526293707 /nfs/dbraw/zinc/29/37/07/526293707.db2.gz GBLATEQGOSOREI-UHFFFAOYSA-N 0 0 432.524 3.944 50 0 IHAARN O=C(C1CCC1)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000036002164 526294342 /nfs/dbraw/zinc/29/43/42/526294342.db2.gz ZHKNLDQDDGJWLE-UHFFFAOYSA-N 0 0 436.947 3.795 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012852344 526294486 /nfs/dbraw/zinc/29/44/86/526294486.db2.gz OUVOHLGUXAESIG-UHFFFAOYSA-N 0 0 439.459 3.925 50 0 IHAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H](CC(C)C)N3CCOCC3)cc12 ZINC000012869753 526296006 /nfs/dbraw/zinc/29/60/06/526296006.db2.gz SJDQYSHIFNXJCW-HXUWFJFHSA-N 0 0 440.613 3.931 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc(Br)o1 ZINC000012786182 526299748 /nfs/dbraw/zinc/29/97/48/526299748.db2.gz ALWRIUBBKGEQOE-LCYFTJDESA-N 0 0 439.262 3.648 50 0 IHAARN Oc1cc(OCCN2CCOCC2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 ZINC000020591533 526334833 /nfs/dbraw/zinc/33/48/33/526334833.db2.gz DUIDRYDLUCRDNU-UHFFFAOYSA-N 0 0 444.329 3.923 50 0 IHAARN Cc1nnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1-c1cc(C)ccc1C ZINC000012606266 526380692 /nfs/dbraw/zinc/38/06/92/526380692.db2.gz VOMWUEZQOFPVNY-UHFFFAOYSA-N 0 0 435.553 3.816 50 0 IHAARN O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012438946 526408597 /nfs/dbraw/zinc/40/85/97/526408597.db2.gz PIVXEHYQKNOEIP-UHFFFAOYSA-N 0 0 426.479 3.767 50 0 IHAARN O=C(OCCOc1c(Cl)cccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000021833332 526420245 /nfs/dbraw/zinc/42/02/45/526420245.db2.gz DZHHQJNWVUTAIZ-UHFFFAOYSA-N 0 0 430.309 3.769 50 0 IHAARN O=C(OCc1cc(=O)n2ccsc2n1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 ZINC000014363945 526423791 /nfs/dbraw/zinc/42/37/91/526423791.db2.gz BLGAJTJWCXYENK-UHFFFAOYSA-N 0 0 438.484 3.707 50 0 IHAARN O=C(NCCc1ccccc1C(F)(F)F)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012315177 526428392 /nfs/dbraw/zinc/42/83/92/526428392.db2.gz JGJHNUUNLQKHKJ-SFHVURJKSA-N 0 0 436.449 3.985 50 0 IHAARN O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012789065 526430317 /nfs/dbraw/zinc/43/03/17/526430317.db2.gz GODKIMFOSNAPDL-YZOPDKEQSA-N 0 0 435.524 3.987 50 0 IHAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022766796 526493721 /nfs/dbraw/zinc/49/37/21/526493721.db2.gz NBYVPMTWLBDCGA-NRFANRHFSA-N 0 0 441.503 3.881 50 0 IHAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000012775915 526505627 /nfs/dbraw/zinc/50/56/27/526505627.db2.gz PFZASKIPDNVXQD-UHFFFAOYSA-N 0 0 442.491 3.743 50 0 IHAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035980990 526519655 /nfs/dbraw/zinc/51/96/55/526519655.db2.gz BNTWESYMOPNHTI-MAUKXSAKSA-N 0 0 441.355 3.790 50 0 IHAARN Cc1nc(-c2cc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)c(C)s2)no1 ZINC000035554506 526560617 /nfs/dbraw/zinc/56/06/17/526560617.db2.gz NDUPCIAXKNYQFL-SFHVURJKSA-N 0 0 448.570 3.665 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000021053227 526574084 /nfs/dbraw/zinc/57/40/84/526574084.db2.gz AXNKFZOHYYWKBZ-UHFFFAOYSA-N 0 0 439.924 3.727 50 0 IHAARN O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000015068792 526575924 /nfs/dbraw/zinc/57/59/24/526575924.db2.gz QZLZUWQNVPPIPT-NLFFAJNJSA-N 0 0 435.524 3.536 50 0 IHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCn2nc(-c3cccs3)oc2=O)cs1 ZINC000026884784 526580422 /nfs/dbraw/zinc/58/04/22/526580422.db2.gz MHMUDFNHMYVVJB-UHFFFAOYSA-N 0 0 438.534 3.976 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000012585193 526596184 /nfs/dbraw/zinc/59/61/84/526596184.db2.gz RXNVROWCFNWXCO-UHFFFAOYSA-N 0 0 443.352 3.586 50 0 IHAARN O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCN(Cc2ccccc2)CC1 ZINC000020419022 526632620 /nfs/dbraw/zinc/63/26/20/526632620.db2.gz VFGMEMBJAIXGTA-UHFFFAOYSA-N 0 0 438.574 3.660 50 0 IHAARN O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000015883292 526643639 /nfs/dbraw/zinc/64/36/39/526643639.db2.gz HYSPFRLHCZKJLU-UHFFFAOYSA-N 0 0 442.494 3.546 50 0 IHAARN O=C(CCc1nc(CSc2nnc(-c3cccnc3)o2)no1)Nc1c(F)cccc1F ZINC000021721849 526651794 /nfs/dbraw/zinc/65/17/94/526651794.db2.gz BAOQSLISEPZBHV-UHFFFAOYSA-N 0 0 444.423 3.656 50 0 IHAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@H]1CCSc2ccc(F)cc21 ZINC000009666260 526653089 /nfs/dbraw/zinc/65/30/89/526653089.db2.gz NUWKOMMJRJDKCI-SFHVURJKSA-N 0 0 449.511 3.534 50 0 IHAARN O=C(CCc1ncc(-c2ccccc2)o1)NCC(=O)Nc1ccccc1Br ZINC000012846387 526658396 /nfs/dbraw/zinc/65/83/96/526658396.db2.gz QHGYWMCTPIXXKV-UHFFFAOYSA-N 0 0 428.286 3.792 50 0 IHAARN O=C(CCc1ncc(-c2ccccc2F)o1)NCC(=O)Nc1ccccc1Br ZINC000012754019 526659467 /nfs/dbraw/zinc/65/94/67/526659467.db2.gz GNXGMCJJCIHMCL-UHFFFAOYSA-N 0 0 446.276 3.931 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1ccccc1 ZINC000015722307 526672631 /nfs/dbraw/zinc/67/26/31/526672631.db2.gz IHEPCMIWQQCWEU-UHFFFAOYSA-N 0 0 439.581 3.913 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000012901198 526677271 /nfs/dbraw/zinc/67/72/71/526677271.db2.gz URDNHDFQMHWWRN-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1ccccc1 ZINC000012807895 526683499 /nfs/dbraw/zinc/68/34/99/526683499.db2.gz UWBCJHJXOCJBJO-LJQANCHMSA-N 0 0 426.314 3.913 50 0 IHAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCc1cccc(Cl)c1 ZINC000012772945 526683805 /nfs/dbraw/zinc/68/38/05/526683805.db2.gz AWPTYGVGDYTWCT-UHFFFAOYSA-N 0 0 434.721 3.561 50 0 IHAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCCC2)s1)c1ccc(Br)o1 ZINC000065032049 526693893 /nfs/dbraw/zinc/69/38/93/526693893.db2.gz GALVFUWEWUTWBA-UHFFFAOYSA-N 0 0 447.376 3.598 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000035480959 526698096 /nfs/dbraw/zinc/69/80/96/526698096.db2.gz TYKYMZIBCYFOEP-UHFFFAOYSA-N 0 0 434.471 3.544 50 0 IHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccccc1 ZINC000036041220 526698884 /nfs/dbraw/zinc/69/88/84/526698884.db2.gz OGCRIYVBNPFOCM-LEWJYISDSA-N 0 0 446.478 3.727 50 0 IHAARN O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cc(F)cc(F)c1 ZINC000035404509 526724388 /nfs/dbraw/zinc/72/43/88/526724388.db2.gz PIQDRYJNLUIYDN-UHFFFAOYSA-N 0 0 426.442 3.695 50 0 IHAARN Cc1oc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc1COc1ccc(C)cc1 ZINC000020560124 526728172 /nfs/dbraw/zinc/72/81/72/526728172.db2.gz SRTOQRKJGFPFAT-UHFFFAOYSA-N 0 0 435.524 3.599 50 0 IHAARN O=C(CN1CCCCC1=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000015080366 526737819 /nfs/dbraw/zinc/73/78/19/526737819.db2.gz JEZHZZFJTQESRM-HXUWFJFHSA-N 0 0 437.515 3.682 50 0 IHAARN O=C(NCc1ccccc1Br)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535295 526743160 /nfs/dbraw/zinc/74/31/60/526743160.db2.gz YBSJLRLBEVLPIK-UHFFFAOYSA-N 0 0 432.347 3.622 50 0 IHAARN O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000022797875 526771506 /nfs/dbraw/zinc/77/15/06/526771506.db2.gz DTTVQLYOBVYELD-UHFFFAOYSA-N 0 0 446.526 3.688 50 0 IHAARN O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000035569282 526796760 /nfs/dbraw/zinc/79/67/60/526796760.db2.gz MWETWNSKBPIWLJ-JJRVBVJISA-N 0 0 432.320 3.809 50 0 IHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012928141 526826358 /nfs/dbraw/zinc/82/63/58/526826358.db2.gz ZBFAHWRBYYOZDV-INIZCTEOSA-N 0 0 428.510 3.841 50 0 IHAARN O=C(CNC(=O)Cc1cccc2ccccc21)NCc1ccc(COCC(F)(F)F)cc1 ZINC000014728545 526834389 /nfs/dbraw/zinc/83/43/89/526834389.db2.gz AFKBECLLYORUFC-UHFFFAOYSA-N 0 0 444.453 3.894 50 0 IHAARN O=C(NCc1nnc2n1CCC2)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012430262 526836167 /nfs/dbraw/zinc/83/61/67/526836167.db2.gz FNDRJIZRULTVMQ-UHFFFAOYSA-N 0 0 432.431 3.549 50 0 IHAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC000022186622 526865932 /nfs/dbraw/zinc/86/59/32/526865932.db2.gz GSXMAWHXWXQYAO-UHFFFAOYSA-N 0 0 437.547 3.951 50 0 IHAARN O=C(N[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000012336403 526867907 /nfs/dbraw/zinc/86/79/07/526867907.db2.gz UGNVJLOMZYWKCH-OAQYLSRUSA-N 0 0 425.462 3.814 50 0 IHAARN NC(=O)CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nnc1-c1ccco1 ZINC000022868942 526877872 /nfs/dbraw/zinc/87/78/72/526877872.db2.gz HIOXAPLICBTODT-UHFFFAOYSA-N 0 0 431.326 3.757 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC12CC3CC(CC(C3)C1)C2 ZINC000012641478 526885454 /nfs/dbraw/zinc/88/54/54/526885454.db2.gz XLMZFVBCDFOROE-UHFFFAOYSA-N 0 0 431.385 3.604 50 0 IHAARN Cc1sc2nc([C@@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C ZINC000009389941 526896002 /nfs/dbraw/zinc/89/60/02/526896002.db2.gz MFLDCOSQJBXJDF-QMTHXVAHSA-N 0 0 429.523 3.709 50 0 IHAARN O=C(c1nc2sccn2c1CN1CCC(OCc2cccnc2)CC1)N1CCCCC1 ZINC000012316788 526917890 /nfs/dbraw/zinc/91/78/90/526917890.db2.gz PQZJLEPIXHBUFA-UHFFFAOYSA-N 0 0 439.585 3.598 50 0 IHAARN O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(c2ccco2)N1CCc1nc2ccccc2[nH]1 ZINC000012360097 526941297 /nfs/dbraw/zinc/94/12/97/526941297.db2.gz NHOSYHYTWPQOCJ-PDGQHHTCSA-N 0 0 426.432 3.757 50 0 IHAARN Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C ZINC000011914105 526995878 /nfs/dbraw/zinc/99/58/78/526995878.db2.gz HGBQUGNFDRCXRT-UHFFFAOYSA-N 0 0 446.916 3.716 50 0 IHAARN Cc1nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C ZINC000012783826 527016018 /nfs/dbraw/zinc/01/60/18/527016018.db2.gz NQJYWTBTWSXANY-IBGZPJMESA-N 0 0 439.647 3.665 50 0 IHAARN Cc1nc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n(C[C@H]2CCCO2)c1C ZINC000021568742 527017987 /nfs/dbraw/zinc/01/79/87/527017987.db2.gz OKZPARUNHCZNGB-GYVBGXKYSA-N 0 0 446.617 3.566 50 0 IHAARN NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 ZINC000020866103 527019928 /nfs/dbraw/zinc/01/99/28/527019928.db2.gz ZCLLKVRZPOBELA-UHFFFAOYSA-N 0 0 426.538 3.720 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccs3)n1C1CC1)CCC2 ZINC000012680942 527021454 /nfs/dbraw/zinc/02/14/54/527021454.db2.gz RQNPDNLHBPLEHY-UHFFFAOYSA-N 0 0 445.595 3.721 50 0 IHAARN O=C1C[C@@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCCO2 ZINC000012414377 527024546 /nfs/dbraw/zinc/02/45/46/527024546.db2.gz ZDGDDTYBKWGJMA-CYBMUJFWSA-N 0 0 442.269 3.791 50 0 IHAARN Cc1nc([C@@H](C)NC(=O)[C@@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)cs1 ZINC000011964118 527028926 /nfs/dbraw/zinc/02/89/26/527028926.db2.gz RJIZVZOZHDIXNY-BXKDBHETSA-N 0 0 446.579 3.844 50 0 IHAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 ZINC000012636207 527038655 /nfs/dbraw/zinc/03/86/55/527038655.db2.gz VWYILPZCEBAWJO-CVEARBPZSA-N 0 0 430.835 3.971 50 0 IHAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000035506837 527039648 /nfs/dbraw/zinc/03/96/48/527039648.db2.gz BMGZYWCLEAWCSZ-NRFANRHFSA-N 0 0 432.499 3.876 50 0 IHAARN Cn1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc2ccccc21 ZINC000020739475 527041681 /nfs/dbraw/zinc/04/16/81/527041681.db2.gz XNRZLVFVXQYSNY-UHFFFAOYSA-N 0 0 426.314 3.539 50 0 IHAARN Cn1c(C(=O)NCc2ccccc2Cl)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000035561130 527042775 /nfs/dbraw/zinc/04/27/75/527042775.db2.gz GWXMXOHWIDQXNI-UHFFFAOYSA-N 0 0 445.972 3.936 50 0 IHAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)Nc1cccc(C(F)(F)F)c1 ZINC000020986950 527050986 /nfs/dbraw/zinc/05/09/86/527050986.db2.gz QPCFMYULLIGXRC-UHFFFAOYSA-N 0 0 445.426 3.834 50 0 IHAARN O=C(CSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n21)Nc1ccc(F)cc1 ZINC000021537193 527051007 /nfs/dbraw/zinc/05/10/07/527051007.db2.gz YMFPURDTGUDXMJ-UHFFFAOYSA-N 0 0 429.864 3.608 50 0 IHAARN Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020591745 527054976 /nfs/dbraw/zinc/05/49/76/527054976.db2.gz FCZURNFPIUNTNA-UHFFFAOYSA-N 0 0 449.555 3.643 50 0 IHAARN O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)Nc1ccc(F)cc1 ZINC000020467792 527055590 /nfs/dbraw/zinc/05/55/90/527055590.db2.gz PSXXXXJVQGEXEJ-UHFFFAOYSA-N 0 0 442.491 3.750 50 0 IHAARN Cc1nc([C@H](C)NC(=O)[C@@H]2Cc3nc(NC(=O)c4ccsc4)sc3C(=O)C2)cs1 ZINC000011964122 527062177 /nfs/dbraw/zinc/06/21/77/527062177.db2.gz RJIZVZOZHDIXNY-JOYOIKCWSA-N 0 0 446.579 3.844 50 0 IHAARN O=C(CSc1ncnc2nc(N3CCCCC3)sc21)Nc1ccc2c(c1)OCO2 ZINC000035532752 527073778 /nfs/dbraw/zinc/07/37/78/527073778.db2.gz NZCIFPKMCOCDQU-UHFFFAOYSA-N 0 0 429.527 3.536 50 0 IHAARN Cn1c2ccccc2n(CCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1=O ZINC000012269094 527112593 /nfs/dbraw/zinc/11/25/93/527112593.db2.gz UUPRMMPCWWDOSO-UHFFFAOYSA-N 0 0 443.529 3.652 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1n[nH]c2ccccc21 ZINC000012535310 527130034 /nfs/dbraw/zinc/13/00/34/527130034.db2.gz DKFXDFUIHFABPF-UHFFFAOYSA-N 0 0 442.884 3.975 50 0 IHAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)c(F)c1 ZINC000012233159 527135846 /nfs/dbraw/zinc/13/58/46/527135846.db2.gz JBDNWASWSTYBGZ-CQSZACIVSA-N 0 0 439.447 3.536 50 0 IHAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000012679935 527142437 /nfs/dbraw/zinc/14/24/37/527142437.db2.gz BHCMXZRCRNILFX-LJQANCHMSA-N 0 0 427.551 3.992 50 0 IHAARN O=S(=O)(/C=C\c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000033579002 527158342 /nfs/dbraw/zinc/15/83/42/527158342.db2.gz ZCMUVYIFCAFBLP-WDZFZDKYSA-N 0 0 431.867 3.877 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)N1CCN(Cc2ccc3nccnc3c2)CC1 ZINC000015786387 527158519 /nfs/dbraw/zinc/15/85/19/527158519.db2.gz AMNFEUSCFRZGMB-UHFFFAOYSA-N 0 0 444.308 3.881 50 0 IHAARN O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774130 527168479 /nfs/dbraw/zinc/16/84/79/527168479.db2.gz PHUNQOZSBCJPJL-RUZDIDTESA-N 0 0 441.531 3.729 50 0 IHAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)c(F)c1 ZINC000012233161 527180976 /nfs/dbraw/zinc/18/09/76/527180976.db2.gz JBDNWASWSTYBGZ-AWEZNQCLSA-N 0 0 439.447 3.536 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612907 527192110 /nfs/dbraw/zinc/19/21/10/527192110.db2.gz MOFFCZCHHPQJCM-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000012443587 527274830 /nfs/dbraw/zinc/27/48/30/527274830.db2.gz ISUOSGMGAUESIS-UHFFFAOYSA-N 0 0 438.937 3.509 50 0 IHAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000012778823 527275225 /nfs/dbraw/zinc/27/52/25/527275225.db2.gz FTSDVVJUWXVARV-UHFFFAOYSA-N 0 0 446.573 3.610 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012783345 527279368 /nfs/dbraw/zinc/27/93/68/527279368.db2.gz OMQNGOWLEPHWEZ-MRXNPFEDSA-N 0 0 429.416 3.882 50 0 IHAARN O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012919536 527284111 /nfs/dbraw/zinc/28/41/11/527284111.db2.gz CJNWWFNTSGYEIH-CYBMUJFWSA-N 0 0 431.286 3.602 50 0 IHAARN O=S(=O)(c1cccc2cccnc21)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012192375 527286166 /nfs/dbraw/zinc/28/61/66/527286166.db2.gz ARWOWHHTBDBRLF-QFIPXVFZSA-N 0 0 430.957 3.894 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1C[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000021883310 527325169 /nfs/dbraw/zinc/32/51/69/527325169.db2.gz BGLOFUAWXWQUFM-PTSWNOGYSA-N 0 0 444.354 3.630 50 0 biogenic IHAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000009661347 527327676 /nfs/dbraw/zinc/32/76/76/527327676.db2.gz DGTBSAAAZQVCJR-UHFFFAOYSA-N 0 0 428.370 3.827 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000040062803 527338351 /nfs/dbraw/zinc/33/83/51/527338351.db2.gz XHMHJDAEEBHESF-KRWDZBQOSA-N 0 0 427.482 3.727 50 0 IHAARN O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1cccc(F)c1 ZINC000012376469 527351489 /nfs/dbraw/zinc/35/14/89/527351489.db2.gz HLSMQVVKIBZAGN-UHFFFAOYSA-N 0 0 429.451 3.709 50 0 biogenic,in-vitro IHAARN O=C(Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)NCCCn1cnc2ccccc21 ZINC000012491242 527356428 /nfs/dbraw/zinc/35/64/28/527356428.db2.gz KUESJQPWPBJYEK-UHFFFAOYSA-N 0 0 426.933 3.817 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(C2CCCCC2)cc1 ZINC000012801717 527369563 /nfs/dbraw/zinc/36/95/63/527369563.db2.gz XSMGHTRGTHESAF-UHFFFAOYSA-N 0 0 428.554 3.563 50 0 IHAARN Cc1nccn1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012210763 527389203 /nfs/dbraw/zinc/38/92/03/527389203.db2.gz GOLIHPYXTNRYCW-NRFANRHFSA-N 0 0 430.552 3.917 50 0 IHAARN O=C(Cn1nc(Cl)ccc1=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012387346 527415600 /nfs/dbraw/zinc/41/56/00/527415600.db2.gz NNSLAENTDWIPPU-FQEVSTJZSA-N 0 0 435.911 3.685 50 0 IHAARN O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000012903728 527430144 /nfs/dbraw/zinc/43/01/44/527430144.db2.gz ZFFXYXQDDRTKOG-UHFFFAOYSA-N 0 0 432.225 3.822 50 0 IHAARN O=C(N=S1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000012367196 527449632 /nfs/dbraw/zinc/44/96/32/527449632.db2.gz TXGSKXIHSNEMPM-UHFFFAOYSA-N 0 0 431.366 3.640 50 0 IHAARN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 ZINC000012410053 527470778 /nfs/dbraw/zinc/47/07/78/527470778.db2.gz NXUXRQHOOIFBRM-UHFFFAOYSA-N 0 0 441.882 3.879 50 0 IHAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cnn2cc(Br)cnc12 ZINC000012846036 527487548 /nfs/dbraw/zinc/48/75/48/527487548.db2.gz KEVHOXGKWVTWCT-UHFFFAOYSA-N 0 0 441.333 3.866 50 0 IHAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012769400 527493877 /nfs/dbraw/zinc/49/38/77/527493877.db2.gz CUGKYSHXJGTXDO-UHFFFAOYSA-N 0 0 446.475 3.841 50 0 IHAARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664117 527512599 /nfs/dbraw/zinc/51/25/99/527512599.db2.gz LKNLGDURMQKEEO-HNNXBMFYSA-N 0 0 445.591 3.958 50 0 IHAARN Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000033308158 527519393 /nfs/dbraw/zinc/51/93/93/527519393.db2.gz BZXNPHZLYXLHTJ-MRXNPFEDSA-N 0 0 425.558 3.675 50 0 IHAARN Cc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)c2c1C(=O)CCC2 ZINC000021652831 527520441 /nfs/dbraw/zinc/52/04/41/527520441.db2.gz SHUAIRGZYNKNTL-UHFFFAOYSA-N 0 0 432.499 3.801 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)nc(N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000035990365 527530131 /nfs/dbraw/zinc/53/01/31/527530131.db2.gz KZSUDJOTFZGOLB-UHFFFAOYSA-N 0 0 446.486 3.696 50 0 IHAARN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012650691 527531578 /nfs/dbraw/zinc/53/15/78/527531578.db2.gz LMPCFMXODWFDMK-UHFFFAOYSA-N 0 0 430.433 3.666 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000012078490 527540563 /nfs/dbraw/zinc/54/05/63/527540563.db2.gz WZCLLSOLVDHFIE-OAQYLSRUSA-N 0 0 439.519 3.609 50 0 IHAARN Nc1nc(CN2CCN(C/C=C/c3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000022801768 527550968 /nfs/dbraw/zinc/55/09/68/527550968.db2.gz JOQUDQFUXWGXSH-QPJJXVBHSA-N 0 0 435.963 3.682 50 0 IHAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(Cc1nccs1)CC2 ZINC000012450393 527584618 /nfs/dbraw/zinc/58/46/18/527584618.db2.gz YAACJZDLBAGVGL-FQEVSTJZSA-N 0 0 425.598 3.610 50 0 IHAARN O=C(/C=C/c1cc(Br)ccc1F)OCC(=O)Nc1cccc2nsnc21 ZINC000019077841 527602051 /nfs/dbraw/zinc/60/20/51/527602051.db2.gz UELZOIXZPOAWBI-QPJJXVBHSA-N 0 0 436.262 3.788 50 0 IHAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccc(N2CCOCC2)nc1 ZINC000022460762 527616719 /nfs/dbraw/zinc/61/67/19/527616719.db2.gz DHKLZYJUXUIZBO-QHHAFSJGSA-N 0 0 441.381 3.773 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000012468088 527635811 /nfs/dbraw/zinc/63/58/11/527635811.db2.gz CDYNYQKRVDTUKK-ZWKOTPCHSA-N 0 0 432.450 3.824 50 0 IHAARN O=C(/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccccc1Cl ZINC000033705823 527655626 /nfs/dbraw/zinc/65/56/26/527655626.db2.gz JMEMOYPHHZVXAR-XFXZXTDPSA-N 0 0 430.913 3.741 50 0 IHAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(OCC)cc1 ZINC000009530247 535003914 /nfs/dbraw/zinc/00/39/14/535003914.db2.gz DSDVGMXYASZHCP-UHFFFAOYSA-N 0 0 433.555 3.732 50 0 IHAARN CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(OCC)cc1 ZINC000009836178 535122809 /nfs/dbraw/zinc/12/28/09/535122809.db2.gz SWGCMMCPFLUERG-HXUWFJFHSA-N 0 0 448.317 3.571 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000002627001 535400148 /nfs/dbraw/zinc/40/01/48/535400148.db2.gz OSFGBTXXZCERGK-UHFFFAOYSA-N 0 0 430.448 3.742 50 0 IHAARN CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ncnc5onc(C)c54)C3)sc2c1 ZINC000009267754 535444230 /nfs/dbraw/zinc/44/42/30/535444230.db2.gz GCDAQLXSDNLTLZ-CYBMUJFWSA-N 0 0 438.513 3.790 50 0 IHAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(CC)CC3)c2c1 ZINC000004313845 535445916 /nfs/dbraw/zinc/44/59/16/535445916.db2.gz KGFJOHCMRNXSJU-UHFFFAOYSA-N 0 0 425.554 3.608 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000000628269 555513457 /nfs/dbraw/zinc/51/34/57/555513457.db2.gz KDLNWEXBRJSVPI-UHFFFAOYSA-N 0 0 432.523 3.687 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000000631608 555515208 /nfs/dbraw/zinc/51/52/08/555515208.db2.gz MJUWUIAGAQUSGK-MUMAZLPKSA-N 0 0 444.965 3.513 50 0 IHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(Cl)c1Cl ZINC000000638741 555517525 /nfs/dbraw/zinc/51/75/25/555517525.db2.gz COZGSHLZIUVQGN-MRVPVSSYSA-N 0 0 437.732 3.794 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000000665591 555528283 /nfs/dbraw/zinc/52/82/83/555528283.db2.gz FDVCEMSUMWXADL-UHFFFAOYSA-N 0 0 438.505 3.844 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1 ZINC000000667672 555529613 /nfs/dbraw/zinc/52/96/13/555529613.db2.gz YMSPXDLKHVOHQL-UHFFFAOYSA-N 0 0 432.542 3.714 50 0 IHAARN Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cnn1C ZINC000000674144 555532787 /nfs/dbraw/zinc/53/27/87/555532787.db2.gz KKBHQYXTBAZPTB-SJLPKXTDSA-N 0 0 432.450 3.824 50 0 IHAARN CCc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000000686590 555539854 /nfs/dbraw/zinc/53/98/54/555539854.db2.gz WPKFUZLDDKCVRT-UHFFFAOYSA-N 0 0 443.594 3.577 50 0 IHAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000000708965 555546154 /nfs/dbraw/zinc/54/61/54/555546154.db2.gz PDOWGVZMOOIJJC-HXUWFJFHSA-N 0 0 427.526 3.621 50 0 IHAARN Cc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O ZINC000000716035 555548588 /nfs/dbraw/zinc/54/85/88/555548588.db2.gz MISCNZVMUHLRDQ-UHFFFAOYSA-N 0 0 429.476 3.741 50 0 IHAARN COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000000729906 555552646 /nfs/dbraw/zinc/55/26/46/555552646.db2.gz PBAGIEJNEFCCHB-LLVKDONJSA-N 0 0 438.299 3.752 50 0 IHAARN COc1ccc(CCNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000000783863 555555582 /nfs/dbraw/zinc/55/55/82/555555582.db2.gz OLOIZRPPKQIDEP-UHFFFAOYSA-N 0 0 430.932 3.568 50 0 IHAARN Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000000794513 555557745 /nfs/dbraw/zinc/55/77/45/555557745.db2.gz UYUSRJDTGMGXEX-KRWDZBQOSA-N 0 0 433.533 3.948 50 0 IHAARN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1Cl ZINC000000797705 555558345 /nfs/dbraw/zinc/55/83/45/555558345.db2.gz SYZDYCAILWYCNK-UHFFFAOYSA-N 0 0 431.739 3.816 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1c(Cl)cccc1Cl ZINC000000815572 555561789 /nfs/dbraw/zinc/56/17/89/555561789.db2.gz BOOVWMVWRSNDEJ-CYBMUJFWSA-N 0 0 429.325 3.703 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000817175 555563180 /nfs/dbraw/zinc/56/31/80/555563180.db2.gz KXXPWYPHOGSDIS-UHFFFAOYSA-N 0 0 426.494 3.538 50 0 IHAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Br)cc1 ZINC000000832734 555566668 /nfs/dbraw/zinc/56/66/68/555566668.db2.gz WRDCQBKFOHCVNQ-CYBMUJFWSA-N 0 0 436.689 3.882 50 0 IHAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000000836675 555567393 /nfs/dbraw/zinc/56/73/93/555567393.db2.gz DRCZNVQJVYSUGH-AWEZNQCLSA-N 0 0 449.747 3.651 50 0 IHAARN COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000000839746 555567601 /nfs/dbraw/zinc/56/76/01/555567601.db2.gz UVGWUEWGZPAYEX-UHFFFAOYSA-N 0 0 440.521 3.922 50 0 IHAARN CCOc1ccccc1N(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000000857852 555571604 /nfs/dbraw/zinc/57/16/04/555571604.db2.gz GTRSVMVWBRXGNJ-UHFFFAOYSA-N 0 0 440.521 3.928 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000000862461 555572925 /nfs/dbraw/zinc/57/29/25/555572925.db2.gz DTOTURMTLSEIKF-GOSISDBHSA-N 0 0 447.944 3.797 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000884641 555578730 /nfs/dbraw/zinc/57/87/30/555578730.db2.gz LJZWKJKPIRDSJM-FUHWJXTLSA-N 0 0 432.450 3.824 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1 ZINC000000893928 555579945 /nfs/dbraw/zinc/57/99/45/555579945.db2.gz FCRUFCLMJHBPEH-UHFFFAOYSA-N 0 0 431.901 3.578 50 0 IHAARN Cc1cc(C)n(C[C@@H](O)CN(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000000895725 555580339 /nfs/dbraw/zinc/58/03/39/555580339.db2.gz WPZBXCJHCWUDAV-HSZRJFAPSA-N 0 0 435.549 3.910 50 0 IHAARN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000000907217 555581922 /nfs/dbraw/zinc/58/19/22/555581922.db2.gz PYIQBELEHZDGRE-UHFFFAOYSA-N 0 0 445.504 3.847 50 0 IHAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2I)NC(=O)N1 ZINC000000951719 555589340 /nfs/dbraw/zinc/58/93/40/555589340.db2.gz BLFKPOMAVXVYPH-KRWDZBQOSA-N 0 0 448.260 3.663 50 0 IHAARN CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000000993285 555597481 /nfs/dbraw/zinc/59/74/81/555597481.db2.gz XYUHPLUJBVAHIK-QGZVFWFLSA-N 0 0 443.883 3.684 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)NC(C)C)n2-c2ccc(F)cc2)cc1OC ZINC000001033393 555606811 /nfs/dbraw/zinc/60/68/11/555606811.db2.gz UMTFZFWVNJNZSZ-UHFFFAOYSA-N 0 0 444.532 3.631 50 0 IHAARN Cc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000001033850 555607149 /nfs/dbraw/zinc/60/71/49/555607149.db2.gz QFJNPXNACKQJQL-KRWDZBQOSA-N 0 0 435.311 3.663 50 0 IHAARN Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccc(F)c(F)c1 ZINC000001039996 555609675 /nfs/dbraw/zinc/60/96/75/555609675.db2.gz OKGVFTOBYXYWQE-UHFFFAOYSA-N 0 0 448.520 3.940 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc2nonc2c1 ZINC000001040123 555609707 /nfs/dbraw/zinc/60/97/07/555609707.db2.gz MPXINFNIWPYTSO-UHFFFAOYSA-N 0 0 434.403 3.768 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3F)C2)c1 ZINC000001053120 555613915 /nfs/dbraw/zinc/61/39/15/555613915.db2.gz ZWEANYOKIXPBMS-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000001053059 555613925 /nfs/dbraw/zinc/61/39/25/555613925.db2.gz JIANQYICAZESMO-OAQYLSRUSA-N 0 0 449.598 3.648 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)Nc1nc2ccc(Br)cc2s1 ZINC000001063204 555616953 /nfs/dbraw/zinc/61/69/53/555616953.db2.gz IKQBFBXWYCGNCM-UHFFFAOYSA-N 0 0 447.343 3.765 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001064256 555617545 /nfs/dbraw/zinc/61/75/45/555617545.db2.gz LSFJTECIRHDVIG-UHFFFAOYSA-N 0 0 426.469 3.862 50 0 IHAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccco1)c1cc(C)cc(C)c1 ZINC000001066548 555618806 /nfs/dbraw/zinc/61/88/06/555618806.db2.gz DQWXYSXBUAENBH-UHFFFAOYSA-N 0 0 442.537 3.725 50 0 IHAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000001069472 555620240 /nfs/dbraw/zinc/62/02/40/555620240.db2.gz ZNFKFIQIBXWFOO-KSSFIOAISA-N 0 0 445.401 3.597 50 0 IHAARN CCOc1c(OC)cccc1C1C(C(=O)OC)=CN(C2CCCCC2)C=C1C(=O)OC ZINC000001074286 555623288 /nfs/dbraw/zinc/62/32/88/555623288.db2.gz CPQBZHPZRMDIQF-UHFFFAOYSA-N 0 0 429.513 3.940 50 0 IHAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1C ZINC000001078796 555625595 /nfs/dbraw/zinc/62/55/95/555625595.db2.gz IXVBKSOYQALZBL-ZDUSSCGKSA-N 0 0 443.338 3.998 50 0 IHAARN COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3C2=O)cc1 ZINC000001085690 555626620 /nfs/dbraw/zinc/62/66/20/555626620.db2.gz PYRYPXPKEDHMLI-UHFFFAOYSA-N 0 0 429.432 3.707 50 0 IHAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)S3)cc1 ZINC000001096587 555628139 /nfs/dbraw/zinc/62/81/39/555628139.db2.gz FEYCSCIJNFMICP-QGZVFWFLSA-N 0 0 427.482 3.857 50 0 IHAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001105915 555629682 /nfs/dbraw/zinc/62/96/82/555629682.db2.gz RYUKSFGTRCALTQ-JYRVWZFOSA-N 0 0 425.293 3.826 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)cc1OC ZINC000001111377 555631737 /nfs/dbraw/zinc/63/17/37/555631737.db2.gz SDJHPWCGKGOYPA-LJQANCHMSA-N 0 0 448.475 3.526 50 0 IHAARN Cc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nn12 ZINC000001115742 555634212 /nfs/dbraw/zinc/63/42/12/555634212.db2.gz XMQJJQUOOJXILI-UHFFFAOYSA-N 0 0 444.314 3.941 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(Cl)c1Cl ZINC000001119435 555636717 /nfs/dbraw/zinc/63/67/17/555636717.db2.gz WXQHYBLEIWRVNP-QGZVFWFLSA-N 0 0 431.283 3.916 50 0 IHAARN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)c(OCC)c1 ZINC000001123889 555639454 /nfs/dbraw/zinc/63/94/54/555639454.db2.gz DRAOQALFFHWVLA-UYRXBGFRSA-N 0 0 440.521 3.632 50 0 IHAARN CN(Cc1nc(-c2ccc(Br)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001124443 555639918 /nfs/dbraw/zinc/63/99/18/555639918.db2.gz RSFASXZJUSKBAF-UHFFFAOYSA-N 0 0 442.722 3.973 50 0 IHAARN CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001124897 555640273 /nfs/dbraw/zinc/64/02/73/555640273.db2.gz BJCPBYSFYAUTDL-UHFFFAOYSA-N 0 0 439.537 3.838 50 0 IHAARN CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)cc1OC ZINC000001126782 555641366 /nfs/dbraw/zinc/64/13/66/555641366.db2.gz YCZFXGAKEKAKLK-LJQANCHMSA-N 0 0 429.904 3.692 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(Cl)cc2)cc1 ZINC000001139668 555649069 /nfs/dbraw/zinc/64/90/69/555649069.db2.gz QGKAADGVIUMERS-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001142400 555650668 /nfs/dbraw/zinc/65/06/68/555650668.db2.gz FANKZZPSOCWIRL-UHFFFAOYSA-N 0 0 443.569 3.916 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001151471 555656721 /nfs/dbraw/zinc/65/67/21/555656721.db2.gz CMZPUCYJWSRIOB-UHFFFAOYSA-N 0 0 440.496 3.858 50 0 IHAARN Cc1ccccc1OCC(=O)NCc1cccc(CNC(=O)COc2ccccc2C)c1 ZINC000001164465 555663573 /nfs/dbraw/zinc/66/35/73/555663573.db2.gz VWWPNPLSLBPWSW-UHFFFAOYSA-N 0 0 432.520 3.694 50 0 IHAARN Cc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000001173040 555668170 /nfs/dbraw/zinc/66/81/70/555668170.db2.gz DYOYUDMJDNLCAV-UHFFFAOYSA-N 0 0 434.989 3.896 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000001175416 555669394 /nfs/dbraw/zinc/66/93/94/555669394.db2.gz PXXWDDSTHKYWSI-HNNXBMFYSA-N 0 0 443.297 3.785 50 0 IHAARN O=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 ZINC000001177455 555670300 /nfs/dbraw/zinc/67/03/00/555670300.db2.gz QTDGTJPWOOPQQU-UHFFFAOYSA-N 0 0 427.295 3.625 50 0 IHAARN COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000001188637 555675168 /nfs/dbraw/zinc/67/51/68/555675168.db2.gz IHGSVBFXLXGZDN-LJQANCHMSA-N 0 0 447.944 3.797 50 0 IHAARN O=C(COc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001211814 555682436 /nfs/dbraw/zinc/68/24/36/555682436.db2.gz RCVKPERXWXTZSO-QGZVFWFLSA-N 0 0 443.219 3.715 50 0 IHAARN CCOC(=O)c1nnn(-c2nc(OCC)nc(N(c3ccccc3)c3ccccc3)n2)c1C ZINC000001446075 555699044 /nfs/dbraw/zinc/69/90/44/555699044.db2.gz QACZQYHMPFENBV-UHFFFAOYSA-N 0 0 445.483 3.806 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000001853241 555720850 /nfs/dbraw/zinc/72/08/50/555720850.db2.gz IJXQZQVBIPQIBC-UHFFFAOYSA-N 0 0 432.314 3.903 50 0 IHAARN COCCNC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000002055046 555730037 /nfs/dbraw/zinc/73/00/37/555730037.db2.gz OXXRHKKFLHZLCI-UHFFFAOYSA-N 0 0 443.223 3.554 50 0 IHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002058859 555731415 /nfs/dbraw/zinc/73/14/15/555731415.db2.gz WUOXUMCZTWXYRA-CNDHBRCFSA-N 0 0 444.556 3.772 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000002064864 555733100 /nfs/dbraw/zinc/73/31/00/555733100.db2.gz IAVRRDOGEUWCFM-UHFFFAOYSA-N 0 0 440.521 3.846 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002228190 555759891 /nfs/dbraw/zinc/75/98/91/555759891.db2.gz FRUDEVOUVZSFAH-UHFFFAOYSA-N 0 0 442.924 3.878 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 ZINC000002236785 555760845 /nfs/dbraw/zinc/76/08/45/555760845.db2.gz RHWXCXCRWJSWNW-UHFFFAOYSA-N 0 0 432.509 3.772 50 0 IHAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1OC ZINC000002235189 555760911 /nfs/dbraw/zinc/76/09/11/555760911.db2.gz MVLFNOQKGLMAHM-QGZVFWFLSA-N 0 0 435.461 3.720 50 0 IHAARN COc1cccc(NC(=O)CCCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1 ZINC000002341605 555770248 /nfs/dbraw/zinc/77/02/48/555770248.db2.gz DFMZCOHJHKVVTK-UHFFFAOYSA-N 0 0 427.457 3.732 50 0 IHAARN CCc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002348632 555770807 /nfs/dbraw/zinc/77/08/07/555770807.db2.gz QWKCNUFXNHPOQF-SIKLNZKXSA-N 0 0 429.582 3.849 50 0 IHAARN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccn1 ZINC000002394412 555775530 /nfs/dbraw/zinc/77/55/30/555775530.db2.gz WBJHYSBISBQYGJ-UHFFFAOYSA-N 0 0 440.273 3.649 50 0 IHAARN COc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002404007 555776166 /nfs/dbraw/zinc/77/61/66/555776166.db2.gz CKFPSTSRLQXHCV-UHFFFAOYSA-N 0 0 433.512 3.709 50 0 IHAARN O=C(c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl)N1CCOCC1 ZINC000002474664 555783243 /nfs/dbraw/zinc/78/32/43/555783243.db2.gz XGBVZGWRBPRSIT-UHFFFAOYSA-N 0 0 436.821 3.640 50 0 IHAARN CCOc1cc(C2C(C(=O)OC)=CN(C3CCCC3)C=C2C(=O)OC)cc(Cl)c1O ZINC000002479074 555783528 /nfs/dbraw/zinc/78/35/28/555783528.db2.gz KZHPHANDFJSLDO-UHFFFAOYSA-N 0 0 435.904 3.900 50 0 IHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034667546 555791765 /nfs/dbraw/zinc/79/17/65/555791765.db2.gz SSUITJVIEGZJOU-UHFFFAOYSA-N 0 0 436.462 3.883 50 0 IHAARN CC(C)=CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc1 ZINC000034667605 555791807 /nfs/dbraw/zinc/79/18/07/555791807.db2.gz XDFNVZZQVXQUHS-UHFFFAOYSA-N 0 0 443.345 3.711 50 0 IHAARN COc1ccc(Cl)cc1N1CCN(Cc2ccc(C(=O)NCc3ccco3)o2)CC1 ZINC000034668217 555792439 /nfs/dbraw/zinc/79/24/39/555792439.db2.gz NUGHMIOQAIPACP-UHFFFAOYSA-N 0 0 429.904 3.787 50 0 IHAARN CN1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2)CC1 ZINC000034675508 555794170 /nfs/dbraw/zinc/79/41/70/555794170.db2.gz VVMCBKPFVJDJBX-UHFFFAOYSA-N 0 0 445.538 3.989 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)nc2O)cc1 ZINC000002699247 555799918 /nfs/dbraw/zinc/79/99/18/555799918.db2.gz RLGBVEHSKYRDRR-UHFFFAOYSA-N 0 0 449.941 3.708 50 0 IHAARN O=c1c2c(ncn2Cc2ccccc2F)n(-c2cccc(F)c2)c(=O)n1Cc1ccccc1 ZINC000034692972 555805680 /nfs/dbraw/zinc/80/56/80/555805680.db2.gz HLRHBKPMTMCZGJ-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN COc1ccccc1-n1c2ncn(Cc3ccc(F)cc3)c2c(=O)n(C2CCCC2)c1=O ZINC000034693011 555805946 /nfs/dbraw/zinc/80/59/46/555805946.db2.gz GUFGEXQWIXBFNS-UHFFFAOYSA-N 0 0 434.471 3.660 50 0 IHAARN O=c1c2c(ncn2Cc2cccc(F)c2)n(-c2cccc(F)c2)c(=O)n1Cc1ccccc1 ZINC000034693527 555808004 /nfs/dbraw/zinc/80/80/04/555808004.db2.gz KCHFJPLAVHVATA-UHFFFAOYSA-N 0 0 444.441 3.724 50 0 IHAARN O=c1c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2Cl)c(=O)n1C1CC1 ZINC000034694100 555809113 /nfs/dbraw/zinc/80/91/13/555809113.db2.gz XVGIUQWUJQZLNX-UHFFFAOYSA-N 0 0 428.826 3.664 50 0 IHAARN COc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)Cc4ccccc4)cn3)CC2)cc1 ZINC000034680867 555813752 /nfs/dbraw/zinc/81/37/52/555813752.db2.gz AOFLOSKYDFCELU-UHFFFAOYSA-N 0 0 444.535 3.624 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 ZINC000002826346 555830961 /nfs/dbraw/zinc/83/09/61/555830961.db2.gz BWTDAOYNMHAKIX-UHFFFAOYSA-N 0 0 438.480 3.528 50 0 IHAARN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cc1 ZINC000002845751 555837623 /nfs/dbraw/zinc/83/76/23/555837623.db2.gz QDANQVLOBFGEEE-UHFFFAOYSA-N 0 0 433.331 3.617 50 0 IHAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1c(F)cccc1Cl ZINC000002850650 555838931 /nfs/dbraw/zinc/83/89/31/555838931.db2.gz QYOMUYOLVMXEIV-UHFFFAOYSA-N 0 0 426.625 3.581 50 0 IHAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 ZINC000002859149 555843487 /nfs/dbraw/zinc/84/34/87/555843487.db2.gz DFCUVAFBCQTTOP-UHFFFAOYSA-N 0 0 438.549 3.842 50 0 IHAARN Cc1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1C ZINC000002868836 555848721 /nfs/dbraw/zinc/84/87/21/555848721.db2.gz IPYKRYYHNFVPIK-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O)c1cccs1 ZINC000002874725 555851786 /nfs/dbraw/zinc/85/17/86/555851786.db2.gz CWJDRJYSHRJXQF-UHFFFAOYSA-N 0 0 425.293 3.834 50 0 IHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)Cc2ccccc2)cc1C ZINC000002877621 555852867 /nfs/dbraw/zinc/85/28/67/555852867.db2.gz VCVBIJCIPFABJT-UHFFFAOYSA-N 0 0 442.512 3.972 50 0 IHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000002884783 555857579 /nfs/dbraw/zinc/85/75/79/555857579.db2.gz PQGORPWKEAKCGT-IBGZPJMESA-N 0 0 438.549 3.922 50 0 IHAARN O=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCc1ccccc1 ZINC000002901810 555861028 /nfs/dbraw/zinc/86/10/28/555861028.db2.gz LTYUYVRHQSXJFE-UHFFFAOYSA-N 0 0 446.391 3.610 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 ZINC000010544935 555863488 /nfs/dbraw/zinc/86/34/88/555863488.db2.gz LTNYKVHNYZNRRM-PGRDOPGGSA-N 0 0 434.540 3.732 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 ZINC000010544937 555863492 /nfs/dbraw/zinc/86/34/92/555863492.db2.gz LTNYKVHNYZNRRM-XMSQKQJNSA-N 0 0 434.540 3.732 50 0 IHAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 ZINC000002979095 555871140 /nfs/dbraw/zinc/87/11/40/555871140.db2.gz YJJBGDMMPQRVLT-UHFFFAOYSA-N 0 0 425.466 3.676 50 0 IHAARN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002979335 555871148 /nfs/dbraw/zinc/87/11/48/555871148.db2.gz OGQHXQYSIZCMFX-UHFFFAOYSA-N 0 0 428.485 3.977 50 0 IHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSCc2ccco2)cc1 ZINC000002992003 555875149 /nfs/dbraw/zinc/87/51/49/555875149.db2.gz TUSUOBIRGVLMEJ-UHFFFAOYSA-N 0 0 444.578 3.909 50 0 IHAARN CC(C)(C)SCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002992044 555875223 /nfs/dbraw/zinc/87/52/23/555875223.db2.gz HGYSDYGXGOWMBJ-UHFFFAOYSA-N 0 0 436.599 3.893 50 0 IHAARN CN(C)c1ccc(NS(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000034738662 555889364 /nfs/dbraw/zinc/88/93/64/555889364.db2.gz XHXIYZAGMVDEAN-QZTJIDSGSA-N 0 0 429.464 3.500 50 0 IHAARN CN(C)C(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003130746 555890248 /nfs/dbraw/zinc/89/02/48/555890248.db2.gz QQPUMNCVZJBCJG-VIFPVBQESA-N 0 0 448.601 3.703 50 0 IHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811161 555908864 /nfs/dbraw/zinc/90/88/64/555908864.db2.gz BOQKDQOZLZJGLO-UHFFFAOYSA-N 0 0 446.404 3.627 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)cc1 ZINC000034904713 555919251 /nfs/dbraw/zinc/91/92/51/555919251.db2.gz NBJYUTNBMWLPIU-UHFFFAOYSA-N 0 0 441.329 3.766 50 0 IHAARN CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000034906080 555920376 /nfs/dbraw/zinc/92/03/76/555920376.db2.gz IKATWBFVHWGNNQ-HZPDHXFCSA-N 0 0 436.965 3.736 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3ccco3)n(-c3cccc(C)c3)n2)CC1 ZINC000034911479 555923597 /nfs/dbraw/zinc/92/35/97/555923597.db2.gz SMRBQXWSDLLGHU-UHFFFAOYSA-N 0 0 443.507 3.807 50 0 IHAARN COC(=O)c1cn(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 ZINC000003630884 555941749 /nfs/dbraw/zinc/94/17/49/555941749.db2.gz ZDSLMKLRTZBJLH-NSHDSACASA-N 0 0 435.263 3.633 50 0 IHAARN CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000004066616 555957722 /nfs/dbraw/zinc/95/77/22/555957722.db2.gz PXOBGQLVURFQNO-IJPZITHUSA-N 0 0 437.290 3.538 50 0 IHAARN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1 ZINC000004157421 555969027 /nfs/dbraw/zinc/96/90/27/555969027.db2.gz QRAHNFQZHBZFJQ-GQSCTRQFSA-N 0 0 437.879 3.915 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)CC1 ZINC000004195526 555975357 /nfs/dbraw/zinc/97/53/57/555975357.db2.gz IOPXJXXRMQVDNU-UHFFFAOYSA-N 0 0 443.454 3.557 50 0 IHAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000004196648 555975576 /nfs/dbraw/zinc/97/55/76/555975576.db2.gz HDMKUPXHGNTSEK-UHFFFAOYSA-N 0 0 429.542 3.852 50 0 IHAARN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000004383497 555992031 /nfs/dbraw/zinc/99/20/31/555992031.db2.gz UHFZBKOBDSBGCU-UHFFFAOYSA-N 0 0 445.520 3.797 50 0 IHAARN CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(SCc3ccccc3F)=NC2=N1 ZINC000004574834 556002357 /nfs/dbraw/zinc/00/23/57/556002357.db2.gz XDPGFVIUMIDFTN-KRWDZBQOSA-N 0 0 429.908 3.759 50 0 IHAARN CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005443070 556054274 /nfs/dbraw/zinc/05/42/74/556054274.db2.gz QWKCNUFXNHPOQF-DENIHFKCSA-N 0 0 429.582 3.849 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC000010562698 556067864 /nfs/dbraw/zinc/06/78/64/556067864.db2.gz JHDAZMXTHLKBTC-UHFFFAOYSA-N 0 0 444.253 3.860 50 0 IHAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OCCOC(C)C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000006577463 556095549 /nfs/dbraw/zinc/09/55/49/556095549.db2.gz VJNHLBITQGJPFU-HNNXBMFYSA-N 0 0 445.512 3.843 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(I)c1OC ZINC000006887037 556108848 /nfs/dbraw/zinc/10/88/48/556108848.db2.gz VBRHVMQKTZRRSX-DHDCSXOGSA-N 0 0 449.244 3.961 50 0 IHAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000002688836 556119706 /nfs/dbraw/zinc/11/97/06/556119706.db2.gz CAOIKVCYBDFTHC-NRFANRHFSA-N 0 0 437.521 3.678 50 0 aggregator IHAARN COc1cccc(N(Cc2ccc(F)cc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000002694079 556120806 /nfs/dbraw/zinc/12/08/06/556120806.db2.gz PZBOWRZTCMVEPE-QZTJIDSGSA-N 0 0 440.949 3.763 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(=O)Nc1cccc(Cl)c1)c2=O ZINC000002712296 556125443 /nfs/dbraw/zinc/12/54/43/556125443.db2.gz VJVMRAAHXZDJPN-CQSZACIVSA-N 0 0 428.872 3.624 50 0 IHAARN COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)SCC2 ZINC000002719813 556126007 /nfs/dbraw/zinc/12/60/07/556126007.db2.gz IMRLOEPOMOLPBU-UHFFFAOYSA-N 0 0 425.535 3.620 50 0 IHAARN CC1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 ZINC000002722238 556128028 /nfs/dbraw/zinc/12/80/28/556128028.db2.gz ZGQPWONVWGCFNP-UHFFFAOYSA-N 0 0 428.529 3.861 50 0 IHAARN Cc1cc(NC(=O)Cn2cc(Br)cn2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000002728888 556133902 /nfs/dbraw/zinc/13/39/02/556133902.db2.gz XFETZVZVFCNRCC-UHFFFAOYSA-N 0 0 442.239 3.856 50 0 IHAARN CN1CCN(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)CC1 ZINC000002756994 556137502 /nfs/dbraw/zinc/13/75/02/556137502.db2.gz HWRBNEYKWBORQL-UHFFFAOYSA-N 0 0 425.330 3.557 50 0 IHAARN COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002755674 556137515 /nfs/dbraw/zinc/13/75/15/556137515.db2.gz FCSWWZMUINPGIF-TZMCWYRMSA-N 0 0 447.255 3.682 50 0 IHAARN Cc1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000002781299 556141909 /nfs/dbraw/zinc/14/19/09/556141909.db2.gz MGUKRDFUPZQHFB-UHFFFAOYSA-N 0 0 438.438 3.594 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CS(=O)(=O)C2 ZINC000003009694 556155593 /nfs/dbraw/zinc/15/55/93/556155593.db2.gz LLMNFXKOOYLJCT-UHFFFAOYSA-N 0 0 445.928 3.832 50 0 IHAARN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 ZINC000008383787 556159435 /nfs/dbraw/zinc/15/94/35/556159435.db2.gz KZYPVTMXUKTQFQ-CTNGQTDRSA-N 0 0 437.492 3.809 50 0 IHAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000008430681 556170511 /nfs/dbraw/zinc/17/05/11/556170511.db2.gz MFZGDPMBRLJGNN-UHFFFAOYSA-N 0 0 425.432 3.892 50 0 IHAARN O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1 ZINC000008432850 556172052 /nfs/dbraw/zinc/17/20/52/556172052.db2.gz PWBWMZUUULZMEX-UOVSXCDZSA-N 0 0 443.927 3.656 50 0 IHAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000008433435 556172754 /nfs/dbraw/zinc/17/27/54/556172754.db2.gz CKRJIMVKHPSCIZ-JKSUJKDBSA-N 0 0 430.835 3.971 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)cc1 ZINC000008442038 556177161 /nfs/dbraw/zinc/17/71/61/556177161.db2.gz WSKCQOGKSRSHBB-UHFFFAOYSA-N 0 0 427.482 3.577 50 0 IHAARN O=C(NCCCCCCCCNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000008444038 556178668 /nfs/dbraw/zinc/17/86/68/556178668.db2.gz JRKFDSKUFMEPQX-UHFFFAOYSA-N 0 0 440.496 3.644 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3I)nc2c1 ZINC000008758493 556211292 /nfs/dbraw/zinc/21/12/92/556211292.db2.gz QRVHWKVMCRQQKO-UHFFFAOYSA-N 0 0 439.278 3.907 50 0 IHAARN O=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000008856144 556227451 /nfs/dbraw/zinc/22/74/51/556227451.db2.gz HTFKEJMAPKLZHF-UHFFFAOYSA-N 0 0 438.977 3.764 50 0 IHAARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008920172 556233209 /nfs/dbraw/zinc/23/32/09/556233209.db2.gz DPFAQIJJRWCEOB-IBGZPJMESA-N 0 0 435.261 3.507 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)C1 ZINC000009140733 556249298 /nfs/dbraw/zinc/24/92/98/556249298.db2.gz GTYYCVUKBXVNFJ-GOSISDBHSA-N 0 0 435.476 3.641 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009197193 556255282 /nfs/dbraw/zinc/25/52/82/556255282.db2.gz SZOCQUQPMLFMIZ-ZWKOTPCHSA-N 0 0 429.933 3.900 50 0 IHAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009197230 556255318 /nfs/dbraw/zinc/25/53/18/556255318.db2.gz FZHAKYCOUQIITQ-ROUUACIJSA-N 0 0 429.933 3.900 50 0 IHAARN CCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 ZINC000009199183 556256790 /nfs/dbraw/zinc/25/67/90/556256790.db2.gz BVRUVNHKZXRTKZ-ZDUSSCGKSA-N 0 0 431.949 3.655 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000009224869 556258693 /nfs/dbraw/zinc/25/86/93/556258693.db2.gz LVAHQBAGRGVNNX-QGZVFWFLSA-N 0 0 425.916 3.537 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1 ZINC000009226200 556260114 /nfs/dbraw/zinc/26/01/14/556260114.db2.gz GLDNRCSRUGMMGE-UHFFFAOYSA-N 0 0 427.530 3.744 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009238922 556265292 /nfs/dbraw/zinc/26/52/92/556265292.db2.gz PTWQQJZRDHQBRP-VQTJNVASSA-N 0 0 439.541 3.782 50 0 IHAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000032542037 556274067 /nfs/dbraw/zinc/27/40/67/556274067.db2.gz YZQPONPBMDXBDB-QGZVFWFLSA-N 0 0 439.537 3.758 50 0 IHAARN CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000009295129 556274836 /nfs/dbraw/zinc/27/48/36/556274836.db2.gz OLWMFSFCFAQUDG-VQTJNVASSA-N 0 0 439.541 3.646 50 0 IHAARN CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009303676 556276158 /nfs/dbraw/zinc/27/61/58/556276158.db2.gz FHYMYLFXTLQBSI-AWEZNQCLSA-N 0 0 426.498 3.725 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccc1 ZINC000009308271 556277877 /nfs/dbraw/zinc/27/78/77/556277877.db2.gz LYUNFVBPPOHYSV-UHFFFAOYSA-N 0 0 425.514 3.663 50 0 IHAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CC3)o2)c1 ZINC000013690638 556280038 /nfs/dbraw/zinc/28/00/38/556280038.db2.gz HLVFNRQTJCNAFF-UHFFFAOYSA-N 0 0 428.466 3.529 50 0 IHAARN COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009341357 556283474 /nfs/dbraw/zinc/28/34/74/556283474.db2.gz VOROGHWVVWMFEX-ROUUACIJSA-N 0 0 440.949 3.763 50 0 IHAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 ZINC000009374590 556286822 /nfs/dbraw/zinc/28/68/22/556286822.db2.gz UXDQAJFPWHPTSW-JOCHJYFZSA-N 0 0 432.480 3.739 50 0 IHAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 ZINC000009410840 556288465 /nfs/dbraw/zinc/28/84/65/556288465.db2.gz TZBVTOJRWCGAKK-WMZOPIPTSA-N 0 0 448.449 3.569 50 0 IHAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC2CC2)o1 ZINC000013721934 556290668 /nfs/dbraw/zinc/29/06/68/556290668.db2.gz LEMUOBCECTYULN-UHFFFAOYSA-N 0 0 428.466 3.529 50 0 IHAARN Cc1noc(C)c1CSCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000097655068 556291143 /nfs/dbraw/zinc/29/11/43/556291143.db2.gz KEACRFZEFVDQOW-RQZCQDPDSA-N 0 0 449.529 3.516 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1 ZINC000009497589 556295133 /nfs/dbraw/zinc/29/51/33/556295133.db2.gz ZMXHVMWOPDPLOB-UHFFFAOYSA-N 0 0 443.883 3.767 50 0 IHAARN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 ZINC000013731596 556295903 /nfs/dbraw/zinc/29/59/03/556295903.db2.gz KUBJPAWDGPKNHK-UHFFFAOYSA-N 0 0 441.882 3.879 50 0 IHAARN Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000009525829 556296113 /nfs/dbraw/zinc/29/61/13/556296113.db2.gz FYXNBXPUFMDLOP-UHFFFAOYSA-N 0 0 425.506 3.802 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000009525885 556296405 /nfs/dbraw/zinc/29/64/05/556296405.db2.gz NZDGLIQYAZTUAC-OAHLLOKOSA-N 0 0 430.888 3.500 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000009526026 556296680 /nfs/dbraw/zinc/29/66/80/556296680.db2.gz RPCNQJXAIURGAT-UHFFFAOYSA-N 0 0 446.887 3.842 50 0 IHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013748924 556298376 /nfs/dbraw/zinc/29/83/76/556298376.db2.gz ZDAUIWLGTMMSIJ-UHFFFAOYSA-N 0 0 430.460 3.838 50 0 IHAARN CC1(C)C[C@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 ZINC000013750956 556299032 /nfs/dbraw/zinc/29/90/32/556299032.db2.gz ICVLHYUIIYLZHL-UXHICEINSA-N 0 0 434.536 3.778 50 0 IHAARN CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)NC(C)(C)C ZINC000009583004 556300740 /nfs/dbraw/zinc/30/07/40/556300740.db2.gz INQOAPRNNLYOPP-UHFFFAOYSA-N 0 0 444.388 3.542 50 0 IHAARN CCOc1cc2c(cc1CNC(=O)c1ccc3c(c1)nc1n(c3=O)CCCCC1)O[C@@H](C)C2 ZINC000032741027 556302508 /nfs/dbraw/zinc/30/25/08/556302508.db2.gz SUINNSJQNRSHHE-INIZCTEOSA-N 0 0 447.535 3.775 50 0 IHAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009698732 556306980 /nfs/dbraw/zinc/30/69/80/556306980.db2.gz HEMJCDLWXRMNAM-HNNXBMFYSA-N 0 0 449.536 3.653 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CC2)c2cc(Cl)ccc23)cc1 ZINC000009829999 556310000 /nfs/dbraw/zinc/31/00/00/556310000.db2.gz BFYWFKMCXJQXKA-UHFFFAOYSA-N 0 0 427.917 3.900 50 0 IHAARN COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2cccc(OC)c2)c1 ZINC000009830391 556310769 /nfs/dbraw/zinc/31/07/69/556310769.db2.gz IJQMYYWEHOIXAG-UHFFFAOYSA-N 0 0 448.504 3.529 50 0 IHAARN C[C@H](NC(=O)CSc1n[nH]cc2c3cc(F)ccc3nc1-2)c1ccc2c(c1)OCCO2 ZINC000032752921 556313775 /nfs/dbraw/zinc/31/37/75/556313775.db2.gz KSTDLWGJNRQLFM-LBPRGKRZSA-N 0 0 438.484 3.991 50 0 IHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cc(Cl)cc3C)c(C)c1 ZINC000013814138 556313809 /nfs/dbraw/zinc/31/38/09/556313809.db2.gz SFGQGXXDKSJPDS-PBQROFAYSA-N 0 0 449.938 3.696 50 0 IHAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000009851513 556314239 /nfs/dbraw/zinc/31/42/39/556314239.db2.gz VMRDDSDKWPXSRY-UHFFFAOYSA-N 0 0 443.941 3.832 50 0 IHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000032745205 556314736 /nfs/dbraw/zinc/31/47/36/556314736.db2.gz SVJIUSGWIWTHTI-UHFFFAOYSA-N 0 0 428.521 3.748 50 0 IHAARN COC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)o1 ZINC000032747425 556316068 /nfs/dbraw/zinc/31/60/68/556316068.db2.gz GJCUTUTYOYGTRB-UHFFFAOYSA-N 0 0 427.478 3.988 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000032747591 556316544 /nfs/dbraw/zinc/31/65/44/556316544.db2.gz UYEFONZENYGBSD-UHFFFAOYSA-N 0 0 436.533 3.953 50 0 IHAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(I)cc3)nc2c1 ZINC000013839543 556317442 /nfs/dbraw/zinc/31/74/42/556317442.db2.gz QPIUIWANJYFCQX-UHFFFAOYSA-N 0 0 439.278 3.907 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)cc1 ZINC000009934035 556317497 /nfs/dbraw/zinc/31/74/97/556317497.db2.gz QMDLAPPIIVKUEM-LJQANCHMSA-N 0 0 441.459 3.577 50 0 IHAARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1OC ZINC000009934747 556318196 /nfs/dbraw/zinc/31/81/96/556318196.db2.gz CHFRSFALRIKPBP-NRFANRHFSA-N 0 0 435.484 3.622 50 0 IHAARN C[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000013844151 556318421 /nfs/dbraw/zinc/31/84/21/556318421.db2.gz SUDNQBPIMRYPNX-GFCCVEGCSA-N 0 0 439.566 3.697 50 0 IHAARN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000032753835 556323102 /nfs/dbraw/zinc/32/31/02/556323102.db2.gz IPKPOKQAYMUEQY-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000013880509 556325903 /nfs/dbraw/zinc/32/59/03/556325903.db2.gz YKCCLBJRVXOOCM-QGOAFFKASA-N 0 0 441.509 3.954 50 0 IHAARN O=C(Nc1cccc(-c2nnco2)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000032777341 556329217 /nfs/dbraw/zinc/32/92/17/556329217.db2.gz JEPCFRSZUJAPAA-NRFANRHFSA-N 0 0 438.443 3.583 50 0 IHAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 ZINC000010295598 556329780 /nfs/dbraw/zinc/32/97/80/556329780.db2.gz YBLPMQAZBRNFFZ-KRWDZBQOSA-N 0 0 442.266 3.846 50 0 IHAARN O=C(Nc1ccc(Br)cc1Br)[C@H]1CCCN(c2cnccn2)C1 ZINC000032777398 556329855 /nfs/dbraw/zinc/32/98/55/556329855.db2.gz JSUUJPCXENHRGW-NSHDSACASA-N 0 0 440.139 3.857 50 0 IHAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 ZINC000010296995 556330151 /nfs/dbraw/zinc/33/01/51/556330151.db2.gz JLAUMEMESRFMIR-QGZVFWFLSA-N 0 0 442.266 3.846 50 0 IHAARN COc1ccc(-c2nc(C(=O)N3CCC(c4nnc5ccccn54)CC3)cs2)cc1OC ZINC000032778010 556331192 /nfs/dbraw/zinc/33/11/92/556331192.db2.gz VVVGMXASCGQGJE-UHFFFAOYSA-N 0 0 449.536 3.890 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032768312 556333207 /nfs/dbraw/zinc/33/32/07/556333207.db2.gz SPTLRVOXLMTWTL-OAQYLSRUSA-N 0 0 437.521 3.654 50 0 IHAARN O=C(c1ccc(Br)cc1F)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000032768570 556333491 /nfs/dbraw/zinc/33/34/91/556333491.db2.gz NCGYXIVWUBVPLX-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccnn3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC000032772420 556335230 /nfs/dbraw/zinc/33/52/30/556335230.db2.gz BWJMJEGLDNWPAY-KRWDZBQOSA-N 0 0 438.915 3.975 50 0 IHAARN CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 ZINC000013944965 556342335 /nfs/dbraw/zinc/34/23/35/556342335.db2.gz ZMPXJRNAFBZGSP-CQSZACIVSA-N 0 0 443.548 3.876 50 0 IHAARN O=C(NC(=S)NCc1ccccc1)c1cc(I)ccc1Cl ZINC000013946233 556343782 /nfs/dbraw/zinc/34/37/82/556343782.db2.gz XUASGSHJPIQNBP-UHFFFAOYSA-N 0 0 430.698 3.749 50 0 IHAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Cn2nc3ccccc3n2)CC1 ZINC000011663038 556344287 /nfs/dbraw/zinc/34/42/87/556344287.db2.gz USPJQIUUBWJRFY-UHFFFAOYSA-N 0 0 434.540 3.626 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000013955628 556344842 /nfs/dbraw/zinc/34/48/42/556344842.db2.gz UOXXBXZFBJUJPO-VWNXMTODSA-N 0 0 447.535 3.807 50 0 IHAARN CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000032781055 556346365 /nfs/dbraw/zinc/34/63/65/556346365.db2.gz RUCHHMLHXMDGHI-LJQANCHMSA-N 0 0 446.525 3.878 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000011702388 556347301 /nfs/dbraw/zinc/34/73/01/556347301.db2.gz PRQMNMMOILQFGM-QHCPKHFHSA-N 0 0 429.538 3.856 50 0 IHAARN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000011753542 556348840 /nfs/dbraw/zinc/34/88/40/556348840.db2.gz JCTSTXRXZVMWQI-AREMUKBSSA-N 0 0 449.551 3.908 50 0 IHAARN CN(CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)S(=O)(=O)c1cccs1 ZINC000032781500 556349687 /nfs/dbraw/zinc/34/96/87/556349687.db2.gz XSIUEMDNOOWPDU-GOSISDBHSA-N 0 0 438.621 3.666 50 0 IHAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)C(=O)c3ccccc3)cc2)n1 ZINC000011770891 556350167 /nfs/dbraw/zinc/35/01/67/556350167.db2.gz KCLYVNMBSWVSTN-JOCHJYFZSA-N 0 0 430.508 3.692 50 0 IHAARN O=C(Cc1ccccc1Cl)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000011782453 556350899 /nfs/dbraw/zinc/35/08/99/556350899.db2.gz HHLZEGGHKXMAQX-FQEVSTJZSA-N 0 0 425.960 3.655 50 0 IHAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000013990302 556352841 /nfs/dbraw/zinc/35/28/41/556352841.db2.gz ODHVUTLGXNPZDF-UHFFFAOYSA-N 0 0 434.533 3.997 50 0 IHAARN CSCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000014013754 556355130 /nfs/dbraw/zinc/35/51/30/556355130.db2.gz VMKGZERQGSXEMK-YESZJQIVSA-N 0 0 442.503 3.619 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 ZINC000014018072 556356011 /nfs/dbraw/zinc/35/60/11/556356011.db2.gz JTOXVVPJEBLRKF-OYLFLEFRSA-N 0 0 433.533 3.862 50 0 IHAARN C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 ZINC000011791341 556356067 /nfs/dbraw/zinc/35/60/67/556356067.db2.gz USVBWWPUTUMFDH-UVISKSIFSA-N 0 0 426.561 3.513 50 0 IHAARN C/C=C(\C)C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 ZINC000011791340 556356121 /nfs/dbraw/zinc/35/61/21/556356121.db2.gz USVBWWPUTUMFDH-RJCKMFQCSA-N 0 0 426.561 3.513 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000014020503 556356734 /nfs/dbraw/zinc/35/67/34/556356734.db2.gz KSHBFIUKKPMABL-CQSZACIVSA-N 0 0 432.592 3.848 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)c1C ZINC000011815377 556358331 /nfs/dbraw/zinc/35/83/31/556358331.db2.gz GDGYIHFZBOXEDI-INIZCTEOSA-N 0 0 430.476 3.691 50 0 IHAARN C[C@@H](NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)c1cccs1 ZINC000011816190 556358641 /nfs/dbraw/zinc/35/86/41/556358641.db2.gz QNBXEFFPHMQXRE-CYBMUJFWSA-N 0 0 442.990 3.695 50 0 IHAARN O=C(CCN1CCCO1)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011816571 556359168 /nfs/dbraw/zinc/35/91/68/556359168.db2.gz GBKIKCUXBIIPOZ-HXUWFJFHSA-N 0 0 425.504 3.697 50 0 IHAARN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014076291 556361698 /nfs/dbraw/zinc/36/16/98/556361698.db2.gz YIFGCNKJABGSQH-UHFFFAOYSA-N 0 0 439.581 3.982 50 0 IHAARN COc1ccc(NC(=O)CCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000014076091 556361779 /nfs/dbraw/zinc/36/17/79/556361779.db2.gz NFEGQQSKIFFNEH-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN O=C(c1nc2sccn2c1CN1CCC([C@H](O)c2cccs2)CC1)N1CCCC1 ZINC000011820097 556361878 /nfs/dbraw/zinc/36/18/78/556361878.db2.gz YIYOEGDHTJADSB-IBGZPJMESA-N 0 0 430.599 3.639 50 0 IHAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCCOCC4CC4)c23)C1 ZINC000014076432 556362185 /nfs/dbraw/zinc/36/21/85/556362185.db2.gz DLQGQKIUYMMUID-INIZCTEOSA-N 0 0 430.618 3.877 50 0 IHAARN COC(=O)N=c1s[nH]c(C)c1C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000032797100 556362749 /nfs/dbraw/zinc/36/27/49/556362749.db2.gz OFAVZRDLTKXATE-UHFFFAOYSA-N 0 0 428.308 3.673 50 0 IHAARN O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000014085162 556364261 /nfs/dbraw/zinc/36/42/61/556364261.db2.gz IBVICRSVRPSYIS-INIZCTEOSA-N 0 0 448.894 3.538 50 0 IHAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)o1 ZINC000011844546 556367471 /nfs/dbraw/zinc/36/74/71/556367471.db2.gz HZXDTFAGDQSDOE-UHFFFAOYSA-N 0 0 426.498 3.606 50 0 IHAARN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000014108502 556368785 /nfs/dbraw/zinc/36/87/85/556368785.db2.gz RESDSOYAASDFIP-XMMPIXPASA-N 0 0 431.448 3.600 50 0 IHAARN Cn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nnc1-c1ccncc1 ZINC000014117317 556371248 /nfs/dbraw/zinc/37/12/48/556371248.db2.gz JRZVNYKEVWAJDB-INIZCTEOSA-N 0 0 434.481 3.533 50 0 IHAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC(C(=O)OCC)CC1 ZINC000014129106 556374219 /nfs/dbraw/zinc/37/42/19/556374219.db2.gz YCSFGAKCTZVPHU-UHFFFAOYSA-N 0 0 448.541 3.707 50 0 IHAARN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCOCC2)cc1 ZINC000014141777 556376720 /nfs/dbraw/zinc/37/67/20/556376720.db2.gz FDHCTGXRVOSCRU-VWLOTQADSA-N 0 0 446.551 3.562 50 0 IHAARN O=C(CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1)N1CCCCCC1 ZINC000014141784 556376805 /nfs/dbraw/zinc/37/68/05/556376805.db2.gz XVPYREQUZOCPQA-UHFFFAOYSA-N 0 0 446.551 3.655 50 0 IHAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000014160564 556378257 /nfs/dbraw/zinc/37/82/57/556378257.db2.gz YXCURGUSPWSBEZ-UHFFFAOYSA-N 0 0 436.892 3.680 50 0 IHAARN Cc1nn(CC(=O)c2ccc3c(c2)CCCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000014164124 556379125 /nfs/dbraw/zinc/37/91/25/556379125.db2.gz GTSNPBNQKOGNFA-UHFFFAOYSA-N 0 0 441.553 3.675 50 0 IHAARN Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CCc2nc4cc(F)ccc4[nH]2)C3)n1 ZINC000011964586 556381452 /nfs/dbraw/zinc/38/14/52/556381452.db2.gz XTUDDPBBCOUJSQ-SFHVURJKSA-N 0 0 445.498 3.828 50 0 IHAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000014182201 556382841 /nfs/dbraw/zinc/38/28/41/556382841.db2.gz ZIYYBWJMODAVEU-UHFFFAOYSA-N 0 0 448.541 3.613 50 0 IHAARN O=C(N[C@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014185337 556385494 /nfs/dbraw/zinc/38/54/94/556385494.db2.gz ARUBICBLUUHRDI-IBGZPJMESA-N 0 0 434.558 3.580 50 0 IHAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1coc2cc(OC)ccc12 ZINC000014186252 556386157 /nfs/dbraw/zinc/38/61/57/556386157.db2.gz TYVUVQCTJNEHJQ-UHFFFAOYSA-N 0 0 425.872 3.923 50 0 IHAARN CCc1ccccc1NC(=O)CNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000014189340 556387211 /nfs/dbraw/zinc/38/72/11/556387211.db2.gz NSPWPMUWPRMJMI-MHLWUJJFSA-N 0 0 439.600 3.661 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC=C(c2ccccc2)CC1 ZINC000014197214 556388858 /nfs/dbraw/zinc/38/88/58/556388858.db2.gz UPQUXWSPQAPWLX-UHFFFAOYSA-N 0 0 428.529 3.542 50 0 IHAARN COc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 ZINC000012037811 556390218 /nfs/dbraw/zinc/39/02/18/556390218.db2.gz KTWGDNZZLSGHON-SFHVURJKSA-N 0 0 446.536 3.651 50 0 IHAARN COC(=O)c1cc(CNC(=O)Cc2c(F)cccc2Cl)cc(NC(=O)c2ccco2)c1 ZINC000012039369 556390537 /nfs/dbraw/zinc/39/05/37/556390537.db2.gz ODHNACRYFBRBMM-UHFFFAOYSA-N 0 0 444.846 3.970 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000014200438 556390911 /nfs/dbraw/zinc/39/09/11/556390911.db2.gz YRVGTZJLWAECRF-HNNXBMFYSA-N 0 0 447.520 3.739 50 0 IHAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC(=O)N(Cc2cn3cccc(C)c3n2)CC1 ZINC000012047900 556391818 /nfs/dbraw/zinc/39/18/18/556391818.db2.gz IPMYSBOUWUXGHQ-UHFFFAOYSA-N 0 0 449.942 3.961 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014202099 556392407 /nfs/dbraw/zinc/39/24/07/556392407.db2.gz GOBNOUVKZBLXIK-LEWJYISDSA-N 0 0 441.524 3.636 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc2n1CCCCC2 ZINC000014227786 556395497 /nfs/dbraw/zinc/39/54/97/556395497.db2.gz ZUIQZGJQRFHWEB-UHFFFAOYSA-N 0 0 432.575 3.647 50 0 IHAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012062184 556395544 /nfs/dbraw/zinc/39/55/44/556395544.db2.gz ZAXCZVBFQJSYQS-LJQANCHMSA-N 0 0 436.531 3.950 50 0 IHAARN O=c1c2c(nc(CN3CCCC3)n1C[C@@H](O)c1ccccc1F)sc1c2CCCC1 ZINC000032810115 556395505 /nfs/dbraw/zinc/39/55/05/556395505.db2.gz QKJMTAHEBDKDDO-GOSISDBHSA-N 0 0 427.545 3.805 50 0 IHAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000032810419 556396662 /nfs/dbraw/zinc/39/66/62/556396662.db2.gz XEUNVEGSDJMPET-UHFFFAOYSA-N 0 0 428.279 3.656 50 0 IHAARN O=C(CC[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012074471 556397161 /nfs/dbraw/zinc/39/71/61/556397161.db2.gz GCPDPOORJUOGNL-MRXNPFEDSA-N 0 0 439.478 3.675 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 ZINC000032810731 556397321 /nfs/dbraw/zinc/39/73/21/556397321.db2.gz IWNLRDDYSZANNR-FQEVSTJZSA-N 0 0 427.545 3.736 50 0 IHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 ZINC000032810826 556397560 /nfs/dbraw/zinc/39/75/60/556397560.db2.gz DZCVXGGNTWYKIO-SCLBCKFNSA-N 0 0 425.341 3.631 50 0 IHAARN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012076687 556398014 /nfs/dbraw/zinc/39/80/14/556398014.db2.gz YKSGZJMQJBTVCR-HXUWFJFHSA-N 0 0 427.589 3.799 50 0 IHAARN CC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)s1 ZINC000012079464 556398255 /nfs/dbraw/zinc/39/82/55/556398255.db2.gz GGOUVXAGTMQUBH-INIZCTEOSA-N 0 0 425.485 3.897 50 0 IHAARN COC[C@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccnc1)Sc1ccccc1-2 ZINC000012078820 556398294 /nfs/dbraw/zinc/39/82/94/556398294.db2.gz WHXMJEFAWXWROO-OYHNWAKOSA-N 0 0 435.549 3.695 50 0 IHAARN O=C(CCCc1nc2ccccc2s1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000014232242 556398272 /nfs/dbraw/zinc/39/82/72/556398272.db2.gz KLLCPYVVQHYDFQ-FQEVSTJZSA-N 0 0 427.545 3.948 50 0 IHAARN 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CCc1noc(CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)o2)n1 ZINC000029135905 556468278 /nfs/dbraw/zinc/46/82/78/556468278.db2.gz ONLPDAZJMPZKTQ-UHFFFAOYSA-N 0 0 446.492 3.733 50 0 IHAARN COc1cc(C(=O)NCc2cccc(SC)c2)ccc1OC1CCN(C(C)=O)CC1 ZINC000014977310 556469090 /nfs/dbraw/zinc/46/90/90/556469090.db2.gz AGNSFAIQJCRYTR-UHFFFAOYSA-N 0 0 428.554 3.737 50 0 IHAARN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029268758 556471361 /nfs/dbraw/zinc/47/13/61/556471361.db2.gz YQBHIFHXIOVIJV-JOCHJYFZSA-N 0 0 433.556 3.793 50 0 IHAARN O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000029382856 556473937 /nfs/dbraw/zinc/47/39/37/556473937.db2.gz DCQSOFJTCFFMQI-UHFFFAOYSA-N 0 0 443.425 3.625 50 0 IHAARN O=C(OCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013121489 556474408 /nfs/dbraw/zinc/47/44/08/556474408.db2.gz PDYKWHUNJVUHRX-UHFFFAOYSA-N 0 0 447.538 3.720 50 0 IHAARN O=S(=O)(c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1)N1CCOCC1 ZINC000029398703 556474669 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O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000032885781 556510470 /nfs/dbraw/zinc/51/04/70/556510470.db2.gz YOERIMHNNUSZJW-UHFFFAOYSA-N 0 0 432.885 3.892 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000015229998 556512990 /nfs/dbraw/zinc/51/29/90/556512990.db2.gz SDWFMGGNISRMBE-UHFFFAOYSA-N 0 0 426.513 3.688 50 0 IHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000032894986 556514328 /nfs/dbraw/zinc/51/43/28/556514328.db2.gz AHWLNYADSMWODB-OAHLLOKOSA-N 0 0 439.965 3.520 50 0 IHAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)c(Cl)c1 ZINC000013550093 556514822 /nfs/dbraw/zinc/51/48/22/556514822.db2.gz DRLRGEYXLOAOSW-SFHVURJKSA-N 0 0 434.323 3.553 50 0 IHAARN O=C(C1=C2C(O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000013556416 556516435 /nfs/dbraw/zinc/51/64/35/556516435.db2.gz XCJDYDWRJGYROE-MANSERQUSA-N 0 0 447.293 3.968 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955146 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C[C@@H]1Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cc2NC1=O ZINC000015480149 556530230 /nfs/dbraw/zinc/53/02/30/556530230.db2.gz NHPKPUHUKIFJQU-HNNXBMFYSA-N 0 0 428.448 3.885 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013594348 556531723 /nfs/dbraw/zinc/53/17/23/556531723.db2.gz GHKJVPAGWKCCEG-KRWDZBQOSA-N 0 0 426.488 3.546 50 0 IHAARN COc1ccc(CCNC(=O)C2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)cc1 ZINC000015513469 556532290 /nfs/dbraw/zinc/53/22/90/556532290.db2.gz RAIRBZMXIWZZDH-UHFFFAOYSA-N 0 0 438.568 3.528 50 0 IHAARN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1=O ZINC000032721398 556532349 /nfs/dbraw/zinc/53/23/49/556532349.db2.gz MVFCYSPGXLZFIO-OALUTQOASA-N 0 0 436.508 3.573 50 0 IHAARN CC(C)COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013598910 556532711 /nfs/dbraw/zinc/53/27/11/556532711.db2.gz PCHLMRSRHSVUTR-SRYPRDQNSA-N 0 0 438.948 3.778 50 0 IHAARN COc1ccc(OC)c(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c1 ZINC000013607768 556533616 /nfs/dbraw/zinc/53/36/16/556533616.db2.gz OWAONOQNFSCIJP-LJQANCHMSA-N 0 0 443.525 3.593 50 0 IHAARN CSCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 ZINC000032900966 556535047 /nfs/dbraw/zinc/53/50/47/556535047.db2.gz IRQFNSAFRUTZOZ-CRAIPNDOSA-N 0 0 426.542 3.619 50 0 IHAARN COc1cc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc(OC)c1 ZINC000015584413 556535962 /nfs/dbraw/zinc/53/59/62/556535962.db2.gz MCJJRGLSLKGRSB-UHFFFAOYSA-N 0 0 446.569 3.840 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013625262 556536671 /nfs/dbraw/zinc/53/66/71/556536671.db2.gz KLQRRPYLNZSLCO-QGZVFWFLSA-N 0 0 429.325 3.794 50 0 IHAARN CC(=O)Oc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2cc1Cl ZINC000013624861 556536701 /nfs/dbraw/zinc/53/67/01/556536701.db2.gz MFOCATTVFGCZFK-UHFFFAOYSA-N 0 0 431.847 3.721 50 0 IHAARN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2ccc(F)cc2)CN1C ZINC000013627499 556537685 /nfs/dbraw/zinc/53/76/85/556537685.db2.gz BSHKNDBQZWNVTK-WSUBETFTSA-N 0 0 431.467 3.605 50 0 IHAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000032903073 556541943 /nfs/dbraw/zinc/54/19/43/556541943.db2.gz RFMYYRRXWFPYME-SFHVURJKSA-N 0 0 448.541 3.587 50 0 IHAARN Cc1nn(C)cc1-c1nn(-c2nc(C)cc(C(F)(F)F)n2)c(-c2cn(C)nc2C)c1C ZINC000013643489 556542961 /nfs/dbraw/zinc/54/29/61/556542961.db2.gz HFQSWUDUGDKAND-UHFFFAOYSA-N 0 0 430.438 3.716 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@]3(O)C(F)(F)F)n2)cc1OC ZINC000013643310 556542991 /nfs/dbraw/zinc/54/29/91/556542991.db2.gz BTCVFJLNRPUZPY-HNNXBMFYSA-N 0 0 436.312 3.626 50 0 IHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000015717990 556544571 /nfs/dbraw/zinc/54/45/71/556544571.db2.gz ORTIUMDWRVBPOZ-UHFFFAOYSA-N 0 0 434.517 3.764 50 0 IHAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1ccc2c(c1)OCO2 ZINC000013655692 556545956 /nfs/dbraw/zinc/54/59/56/556545956.db2.gz HGBKJDPVASXOLU-UHFFFAOYSA-N 0 0 431.400 3.912 50 0 biogenic IHAARN O=C(NC[C@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000072303112 556546879 /nfs/dbraw/zinc/54/68/79/556546879.db2.gz SIHQEWZETPVNNQ-MRXNPFEDSA-N 0 0 437.446 3.992 50 0 IHAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000015769550 556549874 /nfs/dbraw/zinc/54/98/74/556549874.db2.gz FRLSKNCWTUZFAA-BKUYFWCQSA-N 0 0 446.459 3.824 50 0 IHAARN CCn1c2c(nc(CCC(=O)NCc3ccc(F)cc3)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000015780007 556551447 /nfs/dbraw/zinc/55/14/47/556551447.db2.gz RSCXGJSLGJNCNB-UHFFFAOYSA-N 0 0 447.514 3.607 50 0 IHAARN Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831136 556554680 /nfs/dbraw/zinc/55/46/80/556554680.db2.gz WDOCCDXXUSBRIY-KRWDZBQOSA-N 0 0 445.924 3.584 50 0 IHAARN CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000032907316 556559135 /nfs/dbraw/zinc/55/91/35/556559135.db2.gz IUKSTTTVCVYONS-GOEBONIOSA-N 0 0 426.538 3.615 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1OC ZINC000015869057 556559612 /nfs/dbraw/zinc/55/96/12/556559612.db2.gz QWDNBGCIYRDEAL-UHFFFAOYSA-N 0 0 449.330 3.998 50 0 IHAARN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(F)c(C)c1 ZINC000072306772 556560383 /nfs/dbraw/zinc/56/03/83/556560383.db2.gz KVSUODGPOYXNLG-SFHVURJKSA-N 0 0 433.277 3.892 50 0 IHAARN CCCOc1ccccc1/C=c1/sc2nc(-c3ccc(Br)cc3)nn2c1=O ZINC000033343013 556562405 /nfs/dbraw/zinc/56/24/05/556562405.db2.gz NMVNWQANXLAMAH-SFQUDFHCSA-N 0 0 442.338 3.917 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1ccccn1 ZINC000015962363 556569430 /nfs/dbraw/zinc/56/94/30/556569430.db2.gz LQZGJTJGRFNJEQ-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1O ZINC000015987984 556571501 /nfs/dbraw/zinc/57/15/01/556571501.db2.gz ZTDZJWOLFMBCGV-NVNXTCNLSA-N 0 0 436.848 3.868 50 0 IHAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000032909671 556576799 /nfs/dbraw/zinc/57/67/99/556576799.db2.gz PNBREXCVRVUHBL-UHFFFAOYSA-N 0 0 444.392 3.600 50 0 IHAARN CCCOCCOC(=O)c1ccnc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000072311021 556577249 /nfs/dbraw/zinc/57/72/49/556577249.db2.gz RGEZSTMNKDENCR-UHFFFAOYSA-N 0 0 430.549 3.594 50 0 IHAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N(c1ccccc1)C1CCCCC1 ZINC000016046694 556580352 /nfs/dbraw/zinc/58/03/52/556580352.db2.gz ZGKLLSYTHWVXCL-HSZRJFAPSA-N 0 0 444.535 3.997 50 0 IHAARN CSCCCn1c2sc(C(=O)c3ccc(C(C)(C)C)cc3)c(N)c2c(=O)[nH]c1=O ZINC000016050963 556581278 /nfs/dbraw/zinc/58/12/78/556581278.db2.gz HKNJLZQASBPWNX-UHFFFAOYSA-N 0 0 431.583 3.615 50 0 IHAARN COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCCCCC2)cc1 ZINC000016115440 556583912 /nfs/dbraw/zinc/58/39/12/556583912.db2.gz LVNNXJJKWZBAFS-LTGZKZEYSA-N 0 0 438.524 3.886 50 0 biogenic IHAARN Cc1c(-c2ccccc2)sc2ncn(CCS(=O)(=O)Oc3ccccc3)c(=O)c12 ZINC000016132200 556584800 /nfs/dbraw/zinc/58/48/00/556584800.db2.gz KNEVSOHNJMELTB-UHFFFAOYSA-N 0 0 426.519 3.842 50 0 IHAARN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1cc(Br)c[nH]1 ZINC000072311600 556587090 /nfs/dbraw/zinc/58/70/90/556587090.db2.gz GYEHDVOWTVTWFH-OAQYLSRUSA-N 0 0 442.357 3.930 50 0 IHAARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1cc(Br)c[nH]1 ZINC000072311599 556587097 /nfs/dbraw/zinc/58/70/97/556587097.db2.gz GYEHDVOWTVTWFH-NRFANRHFSA-N 0 0 442.357 3.930 50 0 IHAARN COc1cc(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)cc(OC)c1OC ZINC000032974248 556596304 /nfs/dbraw/zinc/59/63/04/556596304.db2.gz FAZJONDAWVNPQS-UHFFFAOYSA-N 0 0 432.561 3.794 50 0 IHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)n2C ZINC000100860563 556597894 /nfs/dbraw/zinc/59/78/94/556597894.db2.gz OOXCVAHXPOIAJO-GHVJWSGMSA-N 0 0 443.594 3.710 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000016293487 556598603 /nfs/dbraw/zinc/59/86/03/556598603.db2.gz YISWVJYMHQYNJL-UHFFFAOYSA-N 0 0 440.477 3.542 50 0 IHAARN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)NC1CCCCCC1 ZINC000032975597 556600152 /nfs/dbraw/zinc/60/01/52/556600152.db2.gz QHVBNYVKYULRHE-WOJBJXKFSA-N 0 0 432.586 3.671 50 0 IHAARN COc1ccc(NC(=O)CCNc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000032983844 556602589 /nfs/dbraw/zinc/60/25/89/556602589.db2.gz ARYVKARAXHCWHY-UHFFFAOYSA-N 0 0 431.558 3.619 50 0 IHAARN CCCCOc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC ZINC000016382506 556603825 /nfs/dbraw/zinc/60/38/25/556603825.db2.gz KBAACFLEFCLFFN-KRWDZBQOSA-N 0 0 441.322 3.828 50 0 IHAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1 ZINC000032985049 556604508 /nfs/dbraw/zinc/60/45/08/556604508.db2.gz VVHCDAYABMNDJN-UHFFFAOYSA-N 0 0 425.602 3.722 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000016400478 556605469 /nfs/dbraw/zinc/60/54/69/556605469.db2.gz PPDPQJDAIHPGDM-UHFFFAOYSA-N 0 0 446.525 3.739 50 0 IHAARN O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCSc2ccccc21 ZINC000016422512 556606206 /nfs/dbraw/zinc/60/62/06/556606206.db2.gz WLRVZAMZPSFAKR-UHFFFAOYSA-N 0 0 436.503 3.751 50 0 IHAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000032987858 556608473 /nfs/dbraw/zinc/60/84/73/556608473.db2.gz HCUXAHNNVPCTAP-HXUWFJFHSA-N 0 0 436.581 3.792 50 0 IHAARN CC(C)(C)OC(=O)Oc1c(I)cncc1I ZINC000038534061 556613535 /nfs/dbraw/zinc/61/35/35/556613535.db2.gz AJSQVXIEJSVQID-UHFFFAOYSA-N 0 0 447.010 3.605 50 0 IHAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000016494523 556612729 /nfs/dbraw/zinc/61/27/29/556612729.db2.gz FDQSADNLMKNUBF-UHFFFAOYSA-N 0 0 444.940 3.888 50 0 IHAARN CCc1cc2c(ncnc2N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)s1 ZINC000032916262 556614610 /nfs/dbraw/zinc/61/46/10/556614610.db2.gz VIKSYOPNHCBJKS-GOSISDBHSA-N 0 0 430.961 3.943 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016598127 556616786 /nfs/dbraw/zinc/61/67/86/556616786.db2.gz KKPPRMZCBQPQIH-QFIPXVFZSA-N 0 0 440.496 3.589 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016626254 556618619 /nfs/dbraw/zinc/61/86/19/556618619.db2.gz NNKYULOFHAWHJU-KWJFTMPMSA-N 0 0 433.980 3.692 50 0 IHAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)n2)ccc1C ZINC000016624870 556618670 /nfs/dbraw/zinc/61/86/70/556618670.db2.gz SPUHWAGJLOUQHB-UHFFFAOYSA-N 0 0 444.413 3.835 50 0 IHAARN CC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)NCc3cccnc3)cs1)C(=O)CO2 ZINC000033675695 556620667 /nfs/dbraw/zinc/62/06/67/556620667.db2.gz IZWXNVIIBPWLSF-UHFFFAOYSA-N 0 0 436.537 3.691 50 0 IHAARN O=C(c1cc(F)ccc1Cl)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000097937989 556627721 /nfs/dbraw/zinc/62/77/21/556627721.db2.gz VMKVHSJFXYERPW-UHFFFAOYSA-N 0 0 427.867 3.764 50 0 IHAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000109720737 556629387 /nfs/dbraw/zinc/62/93/87/556629387.db2.gz VJCDGLYVDNSDEI-UHFFFAOYSA-N 0 0 433.365 3.570 50 0 IHAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCS(=O)(=O)c1ccccc1F ZINC000016699387 556629461 /nfs/dbraw/zinc/62/94/61/556629461.db2.gz XHSPFALSZRLIND-UHFFFAOYSA-N 0 0 434.441 3.656 50 0 IHAARN COc1ccc2c(CC(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)coc2c1 ZINC000016724129 556631018 /nfs/dbraw/zinc/63/10/18/556631018.db2.gz IOMUASWLNYAIBM-UHFFFAOYSA-N 0 0 425.466 3.975 50 0 IHAARN COc1cc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)ccc1OC(C)=O ZINC000016732852 556632305 /nfs/dbraw/zinc/63/23/05/556632305.db2.gz GQOFLBUFAMMNMR-MOSHPQCFSA-N 0 0 449.532 3.597 50 0 IHAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5)nn4c3=O)o2)cc1 ZINC000016735337 556633050 /nfs/dbraw/zinc/63/30/50/556633050.db2.gz XJTHNGWBKGBKEO-ZHZULCJRSA-N 0 0 443.484 3.802 50 0 IHAARN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016741911 556635790 /nfs/dbraw/zinc/63/57/90/556635790.db2.gz LGJGIZZAECFYND-XMMPIXPASA-N 0 0 446.547 3.931 50 0 IHAARN COc1ccccc1Nc1nc(C(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cs1 ZINC000037435554 556638489 /nfs/dbraw/zinc/63/84/89/556638489.db2.gz LODWUZVONKJLMP-HNNXBMFYSA-N 0 0 440.525 3.657 50 0 IHAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000016806601 556644186 /nfs/dbraw/zinc/64/41/86/556644186.db2.gz ZCPIHXJQQDDYRO-NVXWUHKLSA-N 0 0 439.936 3.771 50 0 IHAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3COc4ccc(Cl)cc4C3)ccc21 ZINC000016810321 556644840 /nfs/dbraw/zinc/64/48/40/556644840.db2.gz JPEBDPXKDBSBJT-SCLBCKFNSA-N 0 0 427.884 3.615 50 0 IHAARN CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1Cl ZINC000032922362 556645332 /nfs/dbraw/zinc/64/53/32/556645332.db2.gz LMXLNLFYCFWRJZ-QGZVFWFLSA-N 0 0 440.830 3.691 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c1 ZINC000016840878 556645879 /nfs/dbraw/zinc/64/58/79/556645879.db2.gz IFOJXXGQEKEGJO-UHFFFAOYSA-N 0 0 432.505 3.862 50 0 IHAARN COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 ZINC000016842082 556646336 /nfs/dbraw/zinc/64/63/36/556646336.db2.gz DFASYKPJMHNLPB-UHFFFAOYSA-N 0 0 448.504 3.922 50 0 IHAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Br)cc1)C[C@@H](C)S2 ZINC000011726496 556647072 /nfs/dbraw/zinc/64/70/72/556647072.db2.gz OPFBADBTJZLSSE-SNVBAGLBSA-N 0 0 440.388 3.793 50 0 IHAARN COCCn1c(SCC(=O)Nc2cccc3ccccc32)nc2c(c1=O)S[C@@H](C)C2 ZINC000011726535 556647333 /nfs/dbraw/zinc/64/73/33/556647333.db2.gz NFEOJENHACTIHR-AWEZNQCLSA-N 0 0 441.578 3.810 50 0 IHAARN CCc1ccc(NC(=O)c2nnc(CN3CCN(c4ccc(F)cc4)CC3)s2)cc1 ZINC000032923744 556648538 /nfs/dbraw/zinc/64/85/38/556648538.db2.gz SLWRCEMTTLGSGU-UHFFFAOYSA-N 0 0 425.533 3.814 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C ZINC000011751323 556650901 /nfs/dbraw/zinc/65/09/01/556650901.db2.gz AYHVSOAYCHWGBG-LJQANCHMSA-N 0 0 425.510 3.769 50 0 IHAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751804 556651148 /nfs/dbraw/zinc/65/11/48/556651148.db2.gz AWAPLIKOHOYRMU-SFHVURJKSA-N 0 0 429.473 3.600 50 0 IHAARN Cn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)nc(-c3ccco3)nc2n(C)c1=O ZINC000011758287 556652551 /nfs/dbraw/zinc/65/25/51/556652551.db2.gz YVAKTVXOHMLJLJ-UHFFFAOYSA-N 0 0 448.426 3.598 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)csc2c1=O ZINC000038651750 556653636 /nfs/dbraw/zinc/65/36/36/556653636.db2.gz KEXCGVJISMXOMI-UHFFFAOYSA-N 0 0 433.489 3.859 50 0 IHAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O ZINC000033000230 556653801 /nfs/dbraw/zinc/65/38/01/556653801.db2.gz DXJVCIZGXKNABZ-QHCPKHFHSA-N 0 0 440.931 3.736 50 0 IHAARN C[C@@H](Oc1ccccc1F)c1nnc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 ZINC000017040273 556653948 /nfs/dbraw/zinc/65/39/48/556653948.db2.gz JVSOXRZAILJPMM-OLZOCXBDSA-N 0 0 442.472 3.815 50 0 IHAARN Brc1ccc2nc(CNc3nn4cc(-c5cccnc5)nc4s3)cn2c1 ZINC000302102430 556654715 /nfs/dbraw/zinc/65/47/15/556654715.db2.gz QJMUNFJCBXWCMI-UHFFFAOYSA-N 0 0 426.303 3.875 50 0 IHAARN C[C@H]1CCCN(C(=O)C2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)C1 ZINC000032926862 556655706 /nfs/dbraw/zinc/65/57/06/556655706.db2.gz GKKFRBIDUJIAFE-KRWDZBQOSA-N 0 0 440.617 3.739 50 0 IHAARN COc1cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2sc(NC(C)=O)nc21 ZINC000033008551 556656205 /nfs/dbraw/zinc/65/62/05/556656205.db2.gz VTCZDUXZAXQAGJ-UHFFFAOYSA-N 0 0 446.485 3.933 50 0 IHAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(SCC(=O)N2CCCC2)nn1 ZINC000011792362 556656302 /nfs/dbraw/zinc/65/63/02/556656302.db2.gz BJEINWPPTOJZGV-UHFFFAOYSA-N 0 0 441.340 3.515 50 0 IHAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NC5CCCCCC5)CC4)nn32)cc1 ZINC000033010036 556657939 /nfs/dbraw/zinc/65/79/39/556657939.db2.gz QJVYDOZHFPNCMJ-UHFFFAOYSA-N 0 0 448.571 3.855 50 0 IHAARN Cc1nnc(C(=O)Nc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)s1 ZINC000033010989 556659116 /nfs/dbraw/zinc/65/91/16/556659116.db2.gz DGDPRPKHHVZQQX-UHFFFAOYSA-N 0 0 441.944 3.715 50 0 IHAARN CCOc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033011660 556659567 /nfs/dbraw/zinc/65/95/67/556659567.db2.gz MSCUSBAQGDLKDH-UHFFFAOYSA-N 0 0 446.529 3.737 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 ZINC000011835335 556659619 /nfs/dbraw/zinc/65/96/19/556659619.db2.gz XVTQASKOTKOFDY-UHFFFAOYSA-N 0 0 428.470 3.527 50 0 IHAARN COc1cccc(CNC(=O)CSc2nnc(C(=O)Nc3ccccc3C)s2)c1 ZINC000033012026 556660487 /nfs/dbraw/zinc/66/04/87/556660487.db2.gz SDAPGASSQFXCFG-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN Cn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000011853031 556662672 /nfs/dbraw/zinc/66/26/72/556662672.db2.gz QXOMSYQSKMAEBJ-XTQSDGFTSA-N 0 0 447.557 3.685 50 0 IHAARN CCn1c(COc2ccc(F)cc2F)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000017098787 556663732 /nfs/dbraw/zinc/66/37/32/556663732.db2.gz ADCBMEJXOLEZNU-UHFFFAOYSA-N 0 0 434.468 3.895 50 0 IHAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000017099713 556664936 /nfs/dbraw/zinc/66/49/36/556664936.db2.gz RWXLGYMBQXAPMH-UHFFFAOYSA-N 0 0 435.796 3.671 50 0 IHAARN O=C(NCc1ccco1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033018832 556665556 /nfs/dbraw/zinc/66/55/56/556665556.db2.gz YQMHKAUSRLXNJO-HSZRJFAPSA-N 0 0 434.517 3.639 50 0 IHAARN COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)n2)c(OC)c1 ZINC000017101299 556666138 /nfs/dbraw/zinc/66/61/38/556666138.db2.gz XYSXCOCQSLSUHE-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(Cc4ccccc4)CC2)nc3=O)cc1 ZINC000044169312 556666370 /nfs/dbraw/zinc/66/63/70/556666370.db2.gz DKTLHBKETVRJDV-UHFFFAOYSA-N 0 0 432.549 3.982 50 0 IHAARN Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000011866951 556667230 /nfs/dbraw/zinc/66/72/30/556667230.db2.gz SCAYQZCNHCNDIC-NSYGIPOTSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000044803323 556667723 /nfs/dbraw/zinc/66/77/23/556667723.db2.gz HRTYQLUHQRTDLT-KRWDZBQOSA-N 0 0 437.565 3.674 50 0 IHAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Br)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000100784978 556670867 /nfs/dbraw/zinc/67/08/67/556670867.db2.gz QJCURQTXLXBLPY-KSZLIROESA-N 0 0 446.732 3.638 50 0 IHAARN O=C(NC1CCCC1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000017192412 556672653 /nfs/dbraw/zinc/67/26/53/556672653.db2.gz MIJZKKXONNSBHK-UHFFFAOYSA-N 0 0 430.483 3.999 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000011917793 556674723 /nfs/dbraw/zinc/67/47/23/556674723.db2.gz DOPVRENZBWFICE-SFHVURJKSA-N 0 0 436.555 3.731 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)c(OC)c1 ZINC000011918567 556674809 /nfs/dbraw/zinc/67/48/09/556674809.db2.gz LHNOLEVZSMKQIO-UHFFFAOYSA-N 0 0 443.496 3.668 50 0 IHAARN COC(=O)CNC(=O)c1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000032933106 556676367 /nfs/dbraw/zinc/67/63/67/556676367.db2.gz PLTRZHAKHBSCQZ-UHFFFAOYSA-N 0 0 448.504 3.551 50 0 IHAARN CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011996933 556678812 /nfs/dbraw/zinc/67/88/12/556678812.db2.gz LSIMQHRQZDAIAH-SFHVURJKSA-N 0 0 439.537 3.733 50 0 IHAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325854 556680446 /nfs/dbraw/zinc/68/04/46/556680446.db2.gz JCYHPKATOYDELK-LJQANCHMSA-N 0 0 439.537 3.787 50 0 IHAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000012006313 556680408 /nfs/dbraw/zinc/68/04/08/556680408.db2.gz BCJNPWKDUMVZJH-UHFFFAOYSA-N 0 0 429.358 3.795 50 0 IHAARN COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(OC)c1 ZINC000018220125 556687685 /nfs/dbraw/zinc/68/76/85/556687685.db2.gz VJLSWUXIGOGTKL-JOCHJYFZSA-N 0 0 440.515 3.820 50 0 IHAARN CC[C@@H]1Cn2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816620 556689401 /nfs/dbraw/zinc/68/94/01/556689401.db2.gz SKQOXFLFZCYILT-CQSZACIVSA-N 0 0 427.888 3.657 50 0 IHAARN CN(C)C(=O)N[C@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000000825908 556689986 /nfs/dbraw/zinc/68/99/86/556689986.db2.gz AGZFVIIRGDFLJB-VIFPVBQESA-N 0 0 436.508 3.671 50 0 IHAARN Cc1ccc(CNC(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000032937707 556690197 /nfs/dbraw/zinc/69/01/97/556690197.db2.gz IHWZIBDHZDLHDR-UHFFFAOYSA-N 0 0 433.556 3.813 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000252506987 556691104 /nfs/dbraw/zinc/69/11/04/556691104.db2.gz WEXKBKYARZFHRP-DLVCFXQMSA-N 0 0 433.512 3.876 50 0 IHAARN COCCCNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141339 556692786 /nfs/dbraw/zinc/69/27/86/556692786.db2.gz CQOJJOOVUBLFOG-UHFFFAOYSA-N 0 0 427.935 3.742 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NC3CCCCC3)CC2)c1C ZINC000033024199 556695059 /nfs/dbraw/zinc/69/50/59/556695059.db2.gz IXYFOLAQSMHXRQ-HNNXBMFYSA-N 0 0 431.577 3.745 50 0 IHAARN O=C(c1ccc2c(c1)OCCO2)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000253419127 556696902 /nfs/dbraw/zinc/69/69/02/556696902.db2.gz IQKGHDKNQTWXDX-GOSISDBHSA-N 0 0 429.822 3.719 50 0 IHAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCCN1CCOCC1 ZINC000013574576 556698203 /nfs/dbraw/zinc/69/82/03/556698203.db2.gz RKHBQMZHJLZCSG-UHFFFAOYSA-N 0 0 434.005 3.698 50 0 IHAARN CC(C)CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000013583369 556699580 /nfs/dbraw/zinc/69/95/80/556699580.db2.gz BFVDKLVPMCGCMR-UHFFFAOYSA-N 0 0 437.359 3.586 50 0 IHAARN CC(=O)Nc1cc(NC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C ZINC000072314445 556701086 /nfs/dbraw/zinc/70/10/86/556701086.db2.gz FIRCOTVNRJEDPO-KSSFIOAISA-N 0 0 434.537 3.835 50 0 IHAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)c3ccc(F)cc3)ccc2n1C ZINC000033026002 556701720 /nfs/dbraw/zinc/70/17/20/556701720.db2.gz OSLFVLKUOJDNSI-UHFFFAOYSA-N 0 0 446.482 3.946 50 0 IHAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CC2)n3C)ccc1Cl ZINC000033026076 556702589 /nfs/dbraw/zinc/70/25/89/556702589.db2.gz KPWKNEZVAUISLX-UHFFFAOYSA-N 0 0 440.931 3.621 50 0 IHAARN COC(=O)[C@H](C)CN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1 ZINC000060333802 556706045 /nfs/dbraw/zinc/70/60/45/556706045.db2.gz MTJLASQBYAEKPP-MRXNPFEDSA-N 0 0 446.548 3.641 50 0 IHAARN COCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc(SC)cc3)c2)s1 ZINC000033027612 556707137 /nfs/dbraw/zinc/70/71/37/556707137.db2.gz TXVSDWDGWUIEBF-UHFFFAOYSA-N 0 0 428.539 3.589 50 0 IHAARN CC(C)C(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc42)C3=O)CC1 ZINC000019148327 556707179 /nfs/dbraw/zinc/70/71/79/556707179.db2.gz KEMNTVYNDBIUAG-UHFFFAOYSA-N 0 0 441.531 3.941 50 0 IHAARN CC[C@H](C)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC ZINC000011130853 556711057 /nfs/dbraw/zinc/71/10/57/556711057.db2.gz GJJZAYNHGCAUPM-AWEZNQCLSA-N 0 0 431.583 3.778 50 0 IHAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000013696218 556712180 /nfs/dbraw/zinc/71/21/80/556712180.db2.gz KFGATWWQUPXZGZ-UHFFFAOYSA-N 0 0 442.518 3.523 50 0 IHAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCc1ccco1 ZINC000033032079 556712268 /nfs/dbraw/zinc/71/22/68/556712268.db2.gz WMFGFRULSZAPJY-UHFFFAOYSA-N 0 0 442.313 3.749 50 0 IHAARN CC[C@@H](NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc(Br)cc1 ZINC000011132878 556718071 /nfs/dbraw/zinc/71/80/71/556718071.db2.gz UQQHUTPMDSWYPT-IXEWLPCDSA-N 0 0 436.346 3.955 50 0 IHAARN COc1cc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc(OC)c1OC ZINC000061717930 556724373 /nfs/dbraw/zinc/72/43/73/556724373.db2.gz UVGPDIQBCOBPOE-UHFFFAOYSA-N 0 0 445.475 3.728 50 0 IHAARN CCOC(=O)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)CC1 ZINC000072328404 556725503 /nfs/dbraw/zinc/72/55/03/556725503.db2.gz VDDPBRPBVXZHAV-UHFFFAOYSA-N 0 0 430.936 3.793 50 0 IHAARN CCc1nc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)sc1C ZINC000061719511 556726348 /nfs/dbraw/zinc/72/63/48/556726348.db2.gz WHDRJCXMMZVYHI-UHFFFAOYSA-N 0 0 433.331 3.639 50 0 IHAARN CN(Cc1ccccc1)C(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061719910 556726899 /nfs/dbraw/zinc/72/68/99/556726899.db2.gz PQZUPKDKUIUNNR-UHFFFAOYSA-N 0 0 426.524 3.666 50 0 IHAARN CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000033040217 556732090 /nfs/dbraw/zinc/73/20/90/556732090.db2.gz GUWGKMBNUUAPLZ-HNNXBMFYSA-N 0 0 436.537 3.901 50 0 IHAARN CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccc2OC)n1Cc1ccccc1 ZINC000055099096 556734403 /nfs/dbraw/zinc/73/44/03/556734403.db2.gz NAIHBRFRULGRMB-GOSISDBHSA-N 0 0 427.570 3.927 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1cccc(C)c1 ZINC000079112522 556737762 /nfs/dbraw/zinc/73/77/62/556737762.db2.gz NIRJLJPXPWETRQ-NRFANRHFSA-N 0 0 449.598 3.648 50 0 IHAARN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1 ZINC000143606660 556739987 /nfs/dbraw/zinc/73/99/87/556739987.db2.gz BXPASGIBSLOURW-YTFSRNRJSA-N 0 0 430.460 3.755 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000057487040 556747881 /nfs/dbraw/zinc/74/78/81/556747881.db2.gz CJDUOQLYCAFEHB-UHFFFAOYSA-N 0 0 432.436 3.890 50 0 IHAARN Cn1c(C(F)(F)F)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000057945590 556749581 /nfs/dbraw/zinc/74/95/81/556749581.db2.gz CVPLLENXVVJGSY-UHFFFAOYSA-N 0 0 425.402 3.768 50 0 IHAARN COc1ccc(F)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C ZINC000057958147 556749877 /nfs/dbraw/zinc/74/98/77/556749877.db2.gz BKBKFUMYNUCDDV-DEOSSOPVSA-N 0 0 440.471 3.513 50 0 IHAARN O=c1[nH]c(=O)c2c(nc3n[nH]c(-c4ccccc4)c3c2-c2ccc(Br)cc2)[nH]1 ZINC000072332767 556751073 /nfs/dbraw/zinc/75/10/73/556751073.db2.gz STLWYBBLOIWXEL-UHFFFAOYSA-N 0 0 434.253 3.584 50 0 IHAARN Cc1c(C(=O)N(Cc2ccc3c(c2)OCCO3)CC(F)(F)F)cnn1-c1ccccn1 ZINC000057992375 556751230 /nfs/dbraw/zinc/75/12/30/556751230.db2.gz DSVGJYFRBGBNMP-UHFFFAOYSA-N 0 0 432.402 3.552 50 0 IHAARN COC(=O)c1cc(Cl)c(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1OC ZINC000057997412 556751825 /nfs/dbraw/zinc/75/18/25/556751825.db2.gz XEZMYHRFBHEZIV-HNNXBMFYSA-N 0 0 433.892 3.743 50 0 IHAARN CCOC(=O)CCN(Cc1cccnc1)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000058003835 556752285 /nfs/dbraw/zinc/75/22/85/556752285.db2.gz KIIQCRRVMAOAGJ-UHFFFAOYSA-N 0 0 442.541 3.613 50 0 IHAARN CCOC(=O)c1cccc(N(CC)CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1 ZINC000058006334 556752714 /nfs/dbraw/zinc/75/27/14/556752714.db2.gz FVSAEAWJCMGUST-UHFFFAOYSA-N 0 0 425.529 3.810 50 0 IHAARN O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1nc(Cc2ccccc2)no1 ZINC000058006591 556752720 /nfs/dbraw/zinc/75/27/20/556752720.db2.gz HDWBAELJFBXBQY-UHFFFAOYSA-N 0 0 441.534 3.811 50 0 IHAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(CCN1CCOCC1)c1ccccc1 ZINC000058108973 556758793 /nfs/dbraw/zinc/75/87/93/556758793.db2.gz NDSYFVKRJBGSQB-UHFFFAOYSA-N 0 0 448.894 3.886 50 0 IHAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1sccc1-n1cnnn1 ZINC000058132129 556760247 /nfs/dbraw/zinc/76/02/47/556760247.db2.gz IODHDICJFILNQK-UHFFFAOYSA-N 0 0 439.520 3.738 50 0 IHAARN CSc1sc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)nc1C ZINC000058139579 556760863 /nfs/dbraw/zinc/76/08/63/556760863.db2.gz HMLCVVIIJCHRBJ-FQEVSTJZSA-N 0 0 430.555 3.501 50 0 IHAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000058156401 556762592 /nfs/dbraw/zinc/76/25/92/556762592.db2.gz QKPPYXFWXSXZTH-YJBOKZPZSA-N 0 0 443.997 3.841 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000058159445 556763741 /nfs/dbraw/zinc/76/37/41/556763741.db2.gz AQXKHZBCFWBADJ-HNNXBMFYSA-N 0 0 430.346 3.801 50 0 IHAARN O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000058159113 556763805 /nfs/dbraw/zinc/76/38/05/556763805.db2.gz KQVCQIJDYLGKRL-UHFFFAOYSA-N 0 0 440.975 3.773 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3ccccc3O)CC2)cc1 ZINC000058160000 556764105 /nfs/dbraw/zinc/76/41/05/556764105.db2.gz MNIDQPZQNBHKIL-UHFFFAOYSA-N 0 0 437.565 3.818 50 0 IHAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1csc(-c2ccccn2)n1 ZINC000058159704 556764121 /nfs/dbraw/zinc/76/41/21/556764121.db2.gz YBWCLIWUJXDCLQ-UHFFFAOYSA-N 0 0 433.436 3.622 50 0 IHAARN COC(=O)CCNC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 ZINC000062001664 556764667 /nfs/dbraw/zinc/76/46/67/556764667.db2.gz NCVXVYXWYVFWFP-UHFFFAOYSA-N 0 0 425.481 3.647 50 0 biogenic IHAARN CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000058168344 556767393 /nfs/dbraw/zinc/76/73/93/556767393.db2.gz YAMJZKROHUSXRK-SFHVURJKSA-N 0 0 428.535 3.577 50 0 IHAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058218328 556772780 /nfs/dbraw/zinc/77/27/80/556772780.db2.gz RBXHXPSVXAVVTP-HNAYVOBHSA-N 0 0 449.473 3.639 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000058219052 556773543 /nfs/dbraw/zinc/77/35/43/556773543.db2.gz HEUAKEYWYGYENU-UHFFFAOYSA-N 0 0 430.508 3.804 50 0 IHAARN CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H](Sc3ccccc3)C(C)C)CC2)nc1 ZINC000058296557 556778072 /nfs/dbraw/zinc/77/80/72/556778072.db2.gz REVCFADTKSOEFY-NRFANRHFSA-N 0 0 427.570 3.724 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc21 ZINC000058391151 556784474 /nfs/dbraw/zinc/78/44/74/556784474.db2.gz DXTSZELPKDXKFQ-GFCCVEGCSA-N 0 0 441.285 3.535 50 0 IHAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000058394201 556785350 /nfs/dbraw/zinc/78/53/50/556785350.db2.gz WWYLFJRAMXQNGS-CYBMUJFWSA-N 0 0 448.306 3.815 50 0 IHAARN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)n1 ZINC000058647012 556791020 /nfs/dbraw/zinc/79/10/20/556791020.db2.gz UBSFXNVIEDAWOS-KRWDZBQOSA-N 0 0 434.606 3.614 50 0 IHAARN COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cs1 ZINC000019536810 556794128 /nfs/dbraw/zinc/79/41/28/556794128.db2.gz RADDSPFMMPANIK-UHFFFAOYSA-N 0 0 436.581 3.883 50 0 IHAARN C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000019542326 556794492 /nfs/dbraw/zinc/79/44/92/556794492.db2.gz HLOGUQHTYWHEKH-FRRDWIJNSA-N 0 0 429.468 3.546 50 0 IHAARN O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000059251002 556795911 /nfs/dbraw/zinc/79/59/11/556795911.db2.gz YPJSTGQKKPPJDT-JTQLQIEISA-N 0 0 439.107 3.598 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 ZINC000002094471 556798784 /nfs/dbraw/zinc/79/87/84/556798784.db2.gz DQDJIXJABXRLRL-AWEZNQCLSA-N 0 0 449.912 3.644 50 0 biogenic IHAARN COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000002346506 556799959 /nfs/dbraw/zinc/79/99/59/556799959.db2.gz KTENBXQFCAFJKA-WVNKMUIRSA-N 0 0 442.540 3.738 50 0 IHAARN COc1ccc(NC2=NC(=O)SC2=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000072401394 556800558 /nfs/dbraw/zinc/80/05/58/556800558.db2.gz UKFIQJZYCMSLID-PACYTGELSA-N 0 0 446.554 3.586 50 0 IHAARN O=C([C@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21)C12CC3CC(CC(C3)C1)C2 ZINC000014920153 556801482 /nfs/dbraw/zinc/80/14/82/556801482.db2.gz XXTVWAHGGFLWMY-XNPYXAHPSA-N 0 0 431.532 3.613 50 0 IHAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000059749669 556803904 /nfs/dbraw/zinc/80/39/04/556803904.db2.gz ZKOXVVSZQYGNPV-UHFFFAOYSA-N 0 0 435.981 3.895 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000003178299 556804046 /nfs/dbraw/zinc/80/40/46/556804046.db2.gz UDSHDTKQLYWPQP-UHFFFAOYSA-N 0 0 431.444 3.679 50 0 IHAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCCCc1ccccc1 ZINC000003248998 556804936 /nfs/dbraw/zinc/80/49/36/556804936.db2.gz VOIZEUWBEYWHJB-UHFFFAOYSA-N 0 0 431.565 3.577 50 0 IHAARN CCNC(=O)[C@@H]1CCCN(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000096402498 556807494 /nfs/dbraw/zinc/80/74/94/556807494.db2.gz YLTUFFHWLGVHLQ-URYZVYFESA-N 0 0 442.563 3.986 50 0 IHAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2cccc(OC)c2)c2ccccc2c1=O ZINC000003273382 556807770 /nfs/dbraw/zinc/80/77/70/556807770.db2.gz PCXKXRXHBBLOSS-UHFFFAOYSA-N 0 0 437.496 3.781 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2N)cc1 ZINC000003272461 556807924 /nfs/dbraw/zinc/80/79/24/556807924.db2.gz HFGGXYLZZVTMPZ-UHFFFAOYSA-N 0 0 436.310 3.600 50 0 IHAARN COC(=O)c1ccc([C@H]2NC(=S)N(CC(C)C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011204042 556811968 /nfs/dbraw/zinc/81/19/68/556811968.db2.gz OFYNTQGAZWBILL-LJQANCHMSA-N 0 0 442.541 3.570 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097944083 556814844 /nfs/dbraw/zinc/81/48/44/556814844.db2.gz GJQXQEZTFHUIGZ-DEOSSOPVSA-N 0 0 432.568 3.750 50 0 IHAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3CO2)cc1 ZINC000097943970 556814873 /nfs/dbraw/zinc/81/48/73/556814873.db2.gz PRHFMECQCLDBTH-GOSISDBHSA-N 0 0 432.402 3.507 50 0 IHAARN CCOc1cc(CNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)ccc1OC ZINC000033060357 556816721 /nfs/dbraw/zinc/81/67/21/556816721.db2.gz HOUSJURHFCRWJI-UHFFFAOYSA-N 0 0 446.916 3.781 50 0 IHAARN CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003496768 556816828 /nfs/dbraw/zinc/81/68/28/556816828.db2.gz RSTCNXFUNBNMCM-UHFFFAOYSA-N 0 0 438.340 3.776 50 0 IHAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1 ZINC000033062950 556818317 /nfs/dbraw/zinc/81/83/17/556818317.db2.gz UWBXGKNPDUBZQN-UHFFFAOYSA-N 0 0 437.880 3.716 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063207 556818761 /nfs/dbraw/zinc/81/87/61/556818761.db2.gz OOSGNGALFHBSLC-HXOBKFHXSA-N 0 0 435.549 3.840 50 0 IHAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccc(OCC)cc3)cc(=O)c2c1 ZINC000033064145 556818973 /nfs/dbraw/zinc/81/89/73/556818973.db2.gz HEVFRAOQQMYGPJ-UHFFFAOYSA-N 0 0 440.521 3.975 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3ccc(Cl)cc3F)n2)cc1 ZINC000033062870 556819210 /nfs/dbraw/zinc/81/92/10/556819210.db2.gz RZUKWYMYHGIDFA-UHFFFAOYSA-N 0 0 437.880 3.716 50 0 IHAARN CN(Cc1ccccc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068510 556823818 /nfs/dbraw/zinc/82/38/18/556823818.db2.gz XPHSHLZOAQWXBV-UHFFFAOYSA-N 0 0 447.922 3.524 50 0 IHAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCCC4=CCCCC4)nnc3c2=O)cc1 ZINC000064591629 556825413 /nfs/dbraw/zinc/82/54/13/556825413.db2.gz AXAMWLTVZMGQGR-UHFFFAOYSA-N 0 0 449.555 3.608 50 0 IHAARN O=C1S/C(=C/c2ccc(I)cc2)C(=O)N1CN1CCCCC1 ZINC000019607815 556831249 /nfs/dbraw/zinc/83/12/49/556831249.db2.gz AEDPXMDDTQCFLU-GXDHUFHOSA-N 0 0 428.295 3.771 50 0 IHAARN COc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000019634312 556833977 /nfs/dbraw/zinc/83/39/77/556833977.db2.gz OAFRHJZETLNQSN-UHFFFAOYSA-N 0 0 441.538 3.743 50 0 IHAARN CCOC(=O)NC(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000334160368 556837556 /nfs/dbraw/zinc/83/75/56/556837556.db2.gz CBYFDAVHCYQKMQ-UHFFFAOYSA-N 0 0 435.509 3.587 50 0 IHAARN CCOc1ccc(CN(CCOC)Cc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000033069023 556839081 /nfs/dbraw/zinc/83/90/81/556839081.db2.gz VDTVVKMUFZPSIV-UHFFFAOYSA-N 0 0 427.570 3.682 50 0 IHAARN O=C(COc1ccc(Cl)cc1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998301 556840810 /nfs/dbraw/zinc/84/08/10/556840810.db2.gz PSRVJAACMVSVLY-UHFFFAOYSA-N 0 0 449.935 3.833 50 0 IHAARN COc1ccc2nc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)sc2c1 ZINC000022998446 556841135 /nfs/dbraw/zinc/84/11/35/556841135.db2.gz AFAHCJZCBAXKHA-UHFFFAOYSA-N 0 0 425.554 3.603 50 0 IHAARN O=C(NCc1ccco1)/C(=C/c1cccnc1)NC(=O)c1cccc(Br)c1 ZINC000008666206 556841813 /nfs/dbraw/zinc/84/18/13/556841813.db2.gz CFDZIYHZSQBIHN-ZDLGFXPLSA-N 0 0 426.270 3.524 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1nc(-c2ccco2)no1 ZINC000023004125 556841843 /nfs/dbraw/zinc/84/18/43/556841843.db2.gz QCPHEDIOKXBJIL-UHFFFAOYSA-N 0 0 432.502 3.515 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1C ZINC000011213039 556842694 /nfs/dbraw/zinc/84/26/94/556842694.db2.gz MGLIUDXWRCMWFT-HSZRJFAPSA-N 0 0 426.582 3.972 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000011214970 556843002 /nfs/dbraw/zinc/84/30/02/556843002.db2.gz QWZAVFCDXAZDSJ-GOSISDBHSA-N 0 0 437.359 3.581 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc(C)n2)n1 ZINC000067630247 556845417 /nfs/dbraw/zinc/84/54/17/556845417.db2.gz YKQPWXPTXJULFM-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN Cc1oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000008765107 556845593 /nfs/dbraw/zinc/84/55/93/556845593.db2.gz AUIGEIJKGQDLJL-QFIPXVFZSA-N 0 0 429.472 3.997 50 0 biogenic IHAARN COc1ccc(CCNC(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000008839694 556849815 /nfs/dbraw/zinc/84/98/15/556849815.db2.gz AXZDGOOMVXXITM-MRXNPFEDSA-N 0 0 438.311 3.869 50 0 IHAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(CCOC)c2=O ZINC000033076923 556853012 /nfs/dbraw/zinc/85/30/12/556853012.db2.gz CVPRWMFUCMIZAR-UHFFFAOYSA-N 0 0 425.554 3.783 50 0 IHAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000033078380 556853219 /nfs/dbraw/zinc/85/32/19/556853219.db2.gz FJERIZJJNHEEIR-FQEVSTJZSA-N 0 0 449.624 3.645 50 0 IHAARN COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCc5ccccc5)CC4)c32)cc1 ZINC000033084828 556855118 /nfs/dbraw/zinc/85/51/18/556855118.db2.gz VJSLJIDIWQFYIJ-UHFFFAOYSA-N 0 0 443.507 3.826 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000033087993 556855758 /nfs/dbraw/zinc/85/57/58/556855758.db2.gz ZIHXRNXDORVRDI-UHFFFAOYSA-N 0 0 447.514 3.928 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)cc1 ZINC000033087501 556857644 /nfs/dbraw/zinc/85/76/44/556857644.db2.gz TUYSBHNVJKLSMV-UHFFFAOYSA-N 0 0 440.525 3.773 50 0 IHAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2n[nH]c(-c3ccco3)n2)no1 ZINC000033087468 556857653 /nfs/dbraw/zinc/85/76/53/556857653.db2.gz UIPUGXBVEBILIK-UHFFFAOYSA-N 0 0 428.449 3.759 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(C(C)=O)cc2)c3=O)cc1 ZINC000033128611 556865802 /nfs/dbraw/zinc/86/58/02/556865802.db2.gz CCYNJSCQEWGYFP-UHFFFAOYSA-N 0 0 430.464 3.845 50 0 IHAARN CCN(CC)C(=O)c1ccc2oc(CN3CCN(C(=O)Nc4ccccc4)CC3)nc2c1 ZINC000033127451 556867814 /nfs/dbraw/zinc/86/78/14/556867814.db2.gz ZHBZGOLEEHNCPA-UHFFFAOYSA-N 0 0 435.528 3.660 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)c2snc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000033129920 556869530 /nfs/dbraw/zinc/86/95/30/556869530.db2.gz LQTXLKFBQIAVIC-UHFFFAOYSA-N 0 0 434.521 3.619 50 0 IHAARN O=C(/C=C/c1c(Cl)nc2ccccn21)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000060461976 556869553 /nfs/dbraw/zinc/86/95/53/556869553.db2.gz DBPZQZJEDJDMCK-CMDGGOBGSA-N 0 0 426.879 3.561 50 0 IHAARN CCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc1 ZINC000033138454 556869729 /nfs/dbraw/zinc/86/97/29/556869729.db2.gz CVHIMNCMEWUYGR-UHFFFAOYSA-N 0 0 443.550 3.792 50 0 IHAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2)c1ccc(Cl)s1 ZINC000033140394 556876067 /nfs/dbraw/zinc/87/60/67/556876067.db2.gz TWXBWZTVRNJVAO-UHFFFAOYSA-N 0 0 439.971 3.857 50 0 IHAARN c1csc(-c2cc(-c3nn4c(CN5CCOCC5)nnc4s3)c3ccccc3n2)c1 ZINC000071260516 556879271 /nfs/dbraw/zinc/87/92/71/556879271.db2.gz ANFBYMBEPQBHFX-UHFFFAOYSA-N 0 0 434.550 3.962 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)c(OC)c1 ZINC000019741148 556882794 /nfs/dbraw/zinc/88/27/94/556882794.db2.gz CKNCNYJOCNGXGF-UHFFFAOYSA-N 0 0 439.487 3.651 50 0 IHAARN COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(C(F)(F)F)cc4)o3)CC2=O)cc1 ZINC000033169782 556885065 /nfs/dbraw/zinc/88/50/65/556885065.db2.gz ZQEIKYOOOUIXRP-ZDUSSCGKSA-N 0 0 446.385 3.870 50 0 IHAARN Cc1cccc(N2CCN(c3nccnc3SCC(=O)N3CCCCC3)CC2)c1C ZINC000033170137 556885553 /nfs/dbraw/zinc/88/55/53/556885553.db2.gz SKPALVCYNVYAJE-UHFFFAOYSA-N 0 0 425.602 3.525 50 0 IHAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000004698797 556887285 /nfs/dbraw/zinc/88/72/85/556887285.db2.gz FYFHXTJHRWZTQY-LZLYRXPVSA-N 0 0 429.590 3.576 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000033249316 556888950 /nfs/dbraw/zinc/88/89/50/556888950.db2.gz JXLQTWXJAFKGIX-UHFFFAOYSA-N 0 0 430.526 3.704 50 0 IHAARN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccccc2)c(C(=O)OCC)c1C ZINC000033247254 556889713 /nfs/dbraw/zinc/88/97/13/556889713.db2.gz ZJUWYDNMXFQWRL-QXMHVHEDSA-N 0 0 446.550 3.936 50 0 IHAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(C)c(N(C)C)c4)CC3)cc2)no1 ZINC000033254439 556890587 /nfs/dbraw/zinc/89/05/87/556890587.db2.gz PKKGATIFJDBBNX-UHFFFAOYSA-N 0 0 447.539 3.910 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)c1 ZINC000033251125 556891884 /nfs/dbraw/zinc/89/18/84/556891884.db2.gz GKVSOANHCGKULT-UHFFFAOYSA-N 0 0 435.402 3.688 50 0 IHAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cn(C)c4ccccc4c3=O)C2)cc1C ZINC000019745869 556891959 /nfs/dbraw/zinc/89/19/59/556891959.db2.gz UHXXDMVMRRGUAI-GOSISDBHSA-N 0 0 432.520 3.899 50 0 IHAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033253984 556894228 /nfs/dbraw/zinc/89/42/28/556894228.db2.gz PEPCENYNMMODAQ-UHFFFAOYSA-N 0 0 433.574 3.697 50 0 IHAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033253987 556894296 /nfs/dbraw/zinc/89/42/96/556894296.db2.gz KCCVPRPOCCFWAQ-UHFFFAOYSA-N 0 0 447.601 3.772 50 0 IHAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)cc2)no1 ZINC000033258211 556896023 /nfs/dbraw/zinc/89/60/23/556896023.db2.gz PIRQUOSPFXVIEZ-UHFFFAOYSA-N 0 0 437.500 3.670 50 0 IHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010662073 556897022 /nfs/dbraw/zinc/89/70/22/556897022.db2.gz WKWLWQHKIYOWOO-UHFFFAOYSA-N 0 0 437.521 3.947 50 0 IHAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2ccc(N3CCNC3=O)cc2)c1 ZINC000019770752 556912770 /nfs/dbraw/zinc/91/27/70/556912770.db2.gz ZOQGBLGKZWAVCK-HSZRJFAPSA-N 0 0 443.551 3.755 50 0 IHAARN CSc1ccc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019787789 556914108 /nfs/dbraw/zinc/91/41/08/556914108.db2.gz QBUPCONSUIJSQC-UHFFFAOYSA-N 0 0 435.387 3.894 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)c1 ZINC000019796548 556916236 /nfs/dbraw/zinc/91/62/36/556916236.db2.gz OQVQWFJVGIXRPF-LLVKDONJSA-N 0 0 425.466 3.799 50 0 IHAARN COC(=O)[C@@H](N[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 ZINC000019798068 556916463 /nfs/dbraw/zinc/91/64/63/556916463.db2.gz YAFVFQOVUCDTMT-GOTSBHOMSA-N 0 0 438.499 3.877 50 0 IHAARN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1)C1CC1 ZINC000010670318 556917948 /nfs/dbraw/zinc/91/79/48/556917948.db2.gz PQXGLQIPBCVXJO-UHFFFAOYSA-N 0 0 443.750 3.930 50 0 IHAARN COc1ccc(-c2cc(-c3nnc4sc(-c5ccc(OC)c(OC)c5)nn43)[nH]n2)cc1 ZINC000019827665 556926217 /nfs/dbraw/zinc/92/62/17/556926217.db2.gz RSFUUMLZQDUNEN-UHFFFAOYSA-N 0 0 434.481 3.936 50 0 IHAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCN(C)CC4)sc3c2)c1 ZINC000019831452 556926722 /nfs/dbraw/zinc/92/67/22/556926722.db2.gz FQPGRFJZFOVEJM-UHFFFAOYSA-N 0 0 440.594 3.723 50 0 IHAARN COC(=O)c1csc2c1nc(N1CCN(C(=O)c3ccco3)CC1)cc2C(F)(F)F ZINC000019834587 556927638 /nfs/dbraw/zinc/92/76/38/556927638.db2.gz SEXOTTGVJVJRAH-UHFFFAOYSA-N 0 0 439.415 3.657 50 0 IHAARN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Br)c1OC ZINC000019849007 556930338 /nfs/dbraw/zinc/93/03/38/556930338.db2.gz PRJJDVDTYUCGMX-UHFFFAOYSA-N 0 0 437.294 3.511 50 0 IHAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859671 556932079 /nfs/dbraw/zinc/93/20/79/556932079.db2.gz FFCAMDDVDHWYSB-MRXNPFEDSA-N 0 0 436.961 3.919 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860836 556933164 /nfs/dbraw/zinc/93/31/64/556933164.db2.gz AXKLXASQBUJHGA-QGZVFWFLSA-N 0 0 436.961 3.838 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862877 556934282 /nfs/dbraw/zinc/93/42/82/556934282.db2.gz XRQBCNMCTUPUDE-CQSZACIVSA-N 0 0 428.888 3.799 50 0 IHAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862879 556934286 /nfs/dbraw/zinc/93/42/86/556934286.db2.gz XRQBCNMCTUPUDE-AWEZNQCLSA-N 0 0 428.888 3.799 50 0 IHAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1F ZINC000019939486 556953150 /nfs/dbraw/zinc/95/31/50/556953150.db2.gz MLLIWGCWOZFWIH-NRFANRHFSA-N 0 0 445.372 3.896 50 0 IHAARN COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000019939571 556953214 /nfs/dbraw/zinc/95/32/14/556953214.db2.gz MBMPXFOIGZZPNP-JOCHJYFZSA-N 0 0 445.441 3.915 50 0 IHAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2c(F)cccc2F)cc1 ZINC000019973449 556956455 /nfs/dbraw/zinc/95/64/55/556956455.db2.gz WNRVFASDUNRDED-UHFFFAOYSA-N 0 0 440.406 3.838 50 0 IHAARN CC(C)CCn1c(=O)c2nn(C)cc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000033265332 556975552 /nfs/dbraw/zinc/97/55/52/556975552.db2.gz BTUPGXSANALQGW-UHFFFAOYSA-N 0 0 437.928 3.699 50 0 IHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036403454 556976843 /nfs/dbraw/zinc/97/68/43/556976843.db2.gz XZKZNCDDTGTCIB-UONOGXRCSA-N 0 0 446.910 3.502 50 0 IHAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5cccnc5)CC4)nccn3n2)cc1C ZINC000033266533 556977258 /nfs/dbraw/zinc/97/72/58/556977258.db2.gz YRSXGXPAZFHXIP-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN C[C@H](c1ccccc1Cl)N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000097005119 556978925 /nfs/dbraw/zinc/97/89/25/556978925.db2.gz GFMVPDNLLMJOGH-QGZVFWFLSA-N 0 0 440.975 3.550 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 ZINC000020094938 556979159 /nfs/dbraw/zinc/97/91/59/556979159.db2.gz VKIYDDHNMHEHRY-UHFFFAOYSA-N 0 0 442.924 3.682 50 0 IHAARN COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)n2c3ccccc3nc21 ZINC000020103462 556981016 /nfs/dbraw/zinc/98/10/16/556981016.db2.gz QWFAEKGLEBIALO-IBGZPJMESA-N 0 0 426.904 3.951 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1F ZINC000097096875 556984391 /nfs/dbraw/zinc/98/43/91/556984391.db2.gz VSVVVRVMKXBWJA-HNNXBMFYSA-N 0 0 426.473 3.775 50 0 IHAARN COc1ccc(C(=O)N[C@@H](N2CCN(c3ccccc3)CC2)C(Cl)(Cl)Cl)cc1 ZINC000020132213 556987789 /nfs/dbraw/zinc/98/77/89/556987789.db2.gz ZSIMECDYCMHTJB-IBGZPJMESA-N 0 0 442.774 3.944 50 0 IHAARN COC(=O)C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OC)c(OC)c1 ZINC000097109123 556990131 /nfs/dbraw/zinc/99/01/31/556990131.db2.gz ZUMSDTWBGZQDLT-MRXNPFEDSA-N 0 0 431.876 3.801 50 0 IHAARN O=C(NCc1ccc(Br)cc1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 ZINC000097125698 556991063 /nfs/dbraw/zinc/99/10/63/556991063.db2.gz VEPHBDJZZBLZCN-KRWDZBQOSA-N 0 0 447.720 3.896 50 0 IHAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000097164604 556994560 /nfs/dbraw/zinc/99/45/60/556994560.db2.gz KIXSVCYGVWBRJT-GFCCVEGCSA-N 0 0 425.373 3.910 50 0 IHAARN CCC(CC)c1nnc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 ZINC000023075019 556995563 /nfs/dbraw/zinc/99/55/63/556995563.db2.gz DWLYKPAGHCZYNU-UHFFFAOYSA-N 0 0 427.456 3.696 50 0 IHAARN CC(C)c1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000011244998 556998772 /nfs/dbraw/zinc/99/87/72/556998772.db2.gz CLOYUKZJWZMNSL-UHFFFAOYSA-N 0 0 447.528 3.776 50 0 IHAARN O=S(=O)(NC[C@@H](c1cccc2ccccc21)N1CCOCC1)c1ccc(Cl)cc1 ZINC000023108194 557002455 /nfs/dbraw/zinc/00/24/55/557002455.db2.gz CXBFPVWBCLCPGH-QFIPXVFZSA-N 0 0 430.957 3.845 50 0 IHAARN COC(=O)c1c(C)c(C(=O)Nc2cc(OC)ccc2OC)sc1NC(=O)c1ccco1 ZINC000020295068 557006356 /nfs/dbraw/zinc/00/63/56/557006356.db2.gz RFGBXLWDKCSTKX-UHFFFAOYSA-N 0 0 444.465 3.958 50 0 IHAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(CCN1CCOCC1)C3=O ZINC000020308696 557006722 /nfs/dbraw/zinc/00/67/22/557006722.db2.gz SFLBHMNDHLWJGC-NRFANRHFSA-N 0 0 438.911 3.632 50 0 IHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCn2cnc3c4ccccc4[nH]c3c2=O)CC1 ZINC000023125983 557007642 /nfs/dbraw/zinc/00/76/42/557007642.db2.gz OHMYZWPFWZMPFZ-UHFFFAOYSA-N 0 0 449.942 3.579 50 0 IHAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCCN1CCOCC1 ZINC000020357939 557011556 /nfs/dbraw/zinc/01/15/56/557011556.db2.gz LIGOUVUXEFMEHS-OAQYLSRUSA-N 0 0 438.911 3.714 50 0 IHAARN CCCSc1nc2sc3c(c2c(N2CCN(CCO)CC2)n1)C[C@](C)(CC)OC3 ZINC000020358894 557011723 /nfs/dbraw/zinc/01/17/23/557011723.db2.gz DYLLJDRJXNDJSM-NRFANRHFSA-N 0 0 436.647 3.549 50 0 IHAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCN(C)C3 ZINC000020437835 557017022 /nfs/dbraw/zinc/01/70/22/557017022.db2.gz VBBAHNFAAQQGEU-UHFFFAOYSA-N 0 0 425.583 3.975 50 0 IHAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc(-c3ccccc3)c12 ZINC000045992016 557017609 /nfs/dbraw/zinc/01/76/09/557017609.db2.gz IGNZVOPCYYPXLU-INIZCTEOSA-N 0 0 444.491 3.756 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1 ZINC000045992473 557018125 /nfs/dbraw/zinc/01/81/25/557018125.db2.gz QJCIDJZSMNEHNB-NSHDSACASA-N 0 0 438.406 3.719 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138238 557021267 /nfs/dbraw/zinc/02/12/67/557021267.db2.gz LPIBUOOKYVFUOZ-UHFFFAOYSA-N 0 0 443.912 3.683 50 0 IHAARN COc1ccccc1CNC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 ZINC000023138286 557021359 /nfs/dbraw/zinc/02/13/59/557021359.db2.gz XCRCJSVGAQGRPL-UHFFFAOYSA-N 0 0 429.929 3.995 50 0 IHAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1 ZINC000032943981 557022421 /nfs/dbraw/zinc/02/24/21/557022421.db2.gz PKIZXCZTRREEAW-CYBMUJFWSA-N 0 0 430.551 3.927 50 0 IHAARN CCn1c(C(=O)NCc2ccc(SC)cc2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000046031301 557024047 /nfs/dbraw/zinc/02/40/47/557024047.db2.gz SWEAQHUYANCUOH-UHFFFAOYSA-N 0 0 431.583 3.563 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)C2)cc1 ZINC000023142695 557025079 /nfs/dbraw/zinc/02/50/79/557025079.db2.gz BAUNVZYWFJIAEW-LJQANCHMSA-N 0 0 446.507 3.794 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000023142870 557025091 /nfs/dbraw/zinc/02/50/91/557025091.db2.gz XGZCFNMPOMYJCQ-SFHVURJKSA-N 0 0 434.471 3.924 50 0 IHAARN Cc1csc2nc(COC(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)cc(=O)n12 ZINC000010773370 557025771 /nfs/dbraw/zinc/02/57/71/557025771.db2.gz YKRGNBNBSIUIMB-UHFFFAOYSA-N 0 0 445.504 3.679 50 0 IHAARN O=C(CCCc1nc2ccccc2s1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000010775337 557025837 /nfs/dbraw/zinc/02/58/37/557025837.db2.gz STRIOURMKQNCKU-UHFFFAOYSA-N 0 0 449.623 3.781 50 0 IHAARN COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045358 557025790 /nfs/dbraw/zinc/02/57/90/557025790.db2.gz AJCHETHYICOPOJ-HSZRJFAPSA-N 0 0 430.548 3.988 50 0 IHAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000011818191 557026454 /nfs/dbraw/zinc/02/64/54/557026454.db2.gz KBDNDXBKIXTBQW-HXUWFJFHSA-N 0 0 433.520 3.920 50 0 IHAARN CCCn1nc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)ccc1=O ZINC000022182052 557030862 /nfs/dbraw/zinc/03/08/62/557030862.db2.gz SLYYPKMNDFWDNN-UHFFFAOYSA-N 0 0 434.374 3.770 50 0 IHAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074670 557031049 /nfs/dbraw/zinc/03/10/49/557031049.db2.gz HNPHMCLMXUZZSL-MRXNPFEDSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1 ZINC000046075358 557031953 /nfs/dbraw/zinc/03/19/53/557031953.db2.gz YPDJFIQYPLXXIZ-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000046075364 557032041 /nfs/dbraw/zinc/03/20/41/557032041.db2.gz ZQCOULGJJJXTOP-INIZCTEOSA-N 0 0 438.484 3.574 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)c(C)c1 ZINC000046075498 557032145 /nfs/dbraw/zinc/03/21/45/557032145.db2.gz RIVRKNVGYUILRK-INIZCTEOSA-N 0 0 434.521 3.744 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1C ZINC000046075599 557032341 /nfs/dbraw/zinc/03/23/41/557032341.db2.gz XFFBTQBLONSQDP-KRWDZBQOSA-N 0 0 434.521 3.744 50 0 IHAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000046076296 557032359 /nfs/dbraw/zinc/03/23/59/557032359.db2.gz CXHKTWFTYWPNMQ-MRXNPFEDSA-N 0 0 438.505 3.771 50 0 IHAARN COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C(=O)NCc3ccco3)c3ccccc3)cc21 ZINC000098031862 557032655 /nfs/dbraw/zinc/03/26/55/557032655.db2.gz QAEQWHLSEZKICT-OAQYLSRUSA-N 0 0 433.464 3.566 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000046077709 557033511 /nfs/dbraw/zinc/03/35/11/557033511.db2.gz FRHOTEHIOKJULZ-UHFFFAOYSA-N 0 0 433.302 3.699 50 0 IHAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000046079327 557034065 /nfs/dbraw/zinc/03/40/65/557034065.db2.gz IQFHSQMWOZSVJU-UHFFFAOYSA-N 0 0 446.841 3.829 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cc(F)cc(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000010849298 557035377 /nfs/dbraw/zinc/03/53/77/557035377.db2.gz RJEZLDSBMGFXFT-UHFFFAOYSA-N 0 0 432.448 3.807 50 0 IHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000017190382 557035688 /nfs/dbraw/zinc/03/56/88/557035688.db2.gz BMWHALNZEJFWTK-HSZRJFAPSA-N 0 0 447.510 3.848 50 0 IHAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1 ZINC000012382116 557036000 /nfs/dbraw/zinc/03/60/00/557036000.db2.gz GADHUUVGXAZAAN-QFIPXVFZSA-N 0 0 437.540 3.714 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000046122575 557036285 /nfs/dbraw/zinc/03/62/85/557036285.db2.gz ZPQWLPVTIGRUFX-OAHLLOKOSA-N 0 0 440.500 3.958 50 0 IHAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)s1 ZINC000046122927 557036518 /nfs/dbraw/zinc/03/65/18/557036518.db2.gz YHRHBYYOWONHOM-QGZVFWFLSA-N 0 0 436.537 3.884 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C[C@H](C)O1 ZINC000017246319 557041314 /nfs/dbraw/zinc/04/13/14/557041314.db2.gz PFJHRVCVOUWXSW-KDURUIRLSA-N 0 0 443.613 3.772 50 0 IHAARN CCn1c2cc(NC(=O)CC(C)C)c(S(=O)(=O)C3CCCCC3)cc2n(CC)c1=O ZINC000046146314 557044559 /nfs/dbraw/zinc/04/45/59/557044559.db2.gz ATPXKVGMROBWGR-UHFFFAOYSA-N 0 0 435.590 3.934 50 0 IHAARN O=S1(=O)CCN(Cc2cccnc2)c2c(Oc3ccc(F)cc3)nc(F)c(Cl)c21 ZINC000024614429 557045689 /nfs/dbraw/zinc/04/56/89/557045689.db2.gz SSISQRAZYZOJKC-UHFFFAOYSA-N 0 0 437.855 3.994 50 0 IHAARN CCn1c2cc(C)c(C)cc2nc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1=O ZINC000033269575 557046950 /nfs/dbraw/zinc/04/69/50/557046950.db2.gz QTTFVDQXLXDKFH-UHFFFAOYSA-N 0 0 438.959 3.957 50 0 IHAARN O=C(CCc1nc(CSc2n[nH]c(-c3cccc(F)c3)n2)no1)Nc1ccccc1F ZINC000033270953 557048159 /nfs/dbraw/zinc/04/81/59/557048159.db2.gz BOLAIPJXYGIAAM-UHFFFAOYSA-N 0 0 442.451 3.997 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1C ZINC000022930828 557049825 /nfs/dbraw/zinc/04/98/25/557049825.db2.gz WOOZCPFGBMBKGK-UHFFFAOYSA-N 0 0 446.954 3.681 50 0 IHAARN O=C(c1cccc(-c2ccc(N3CCCC3)nn2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000033272116 557050744 /nfs/dbraw/zinc/05/07/44/557050744.db2.gz ZIYJEGFIOHCAFU-UHFFFAOYSA-N 0 0 427.552 3.702 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2)c1 ZINC000048273864 557051184 /nfs/dbraw/zinc/05/11/84/557051184.db2.gz WFASWMWVVWLQDL-NHCUHLMSSA-N 0 0 428.554 3.888 50 0 IHAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)Cc1ccsc1 ZINC000017307719 557053767 /nfs/dbraw/zinc/05/37/67/557053767.db2.gz NIEQYXOFMGXWBZ-UHFFFAOYSA-N 0 0 432.615 3.924 50 0 IHAARN Cc1ccc(-c2nc(CN3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)cs2)o1 ZINC000048290970 557055723 /nfs/dbraw/zinc/05/57/23/557055723.db2.gz YBOCJVLMDZAMSO-INIZCTEOSA-N 0 0 428.533 3.995 50 0 IHAARN O=c1c2c(ncn1Cc1cc3c(cc1Br)OCCO3)sc1c2CCCC1 ZINC000022984813 557055719 /nfs/dbraw/zinc/05/57/19/557055719.db2.gz VTJFOROKAZZNQZ-UHFFFAOYSA-N 0 0 433.327 3.919 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)cc1OC ZINC000033277542 557059489 /nfs/dbraw/zinc/05/94/89/557059489.db2.gz YARAMELFBCPDLO-UHFFFAOYSA-N 0 0 446.569 3.699 50 0 IHAARN C[C@H](OC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000023046589 557059892 /nfs/dbraw/zinc/05/98/92/557059892.db2.gz YOLLTYQERXCBSC-HNNXBMFYSA-N 0 0 446.500 3.522 50 0 IHAARN Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 ZINC000048300115 557062026 /nfs/dbraw/zinc/06/20/26/557062026.db2.gz WYPMYOZSBKBPIV-UHFFFAOYSA-N 0 0 432.450 3.639 50 0 IHAARN Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(C)c1 ZINC000033279550 557062212 /nfs/dbraw/zinc/06/22/12/557062212.db2.gz IBMQMRQPLCHRKU-UHFFFAOYSA-N 0 0 446.554 3.599 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCc1c(C)noc1C ZINC000023108863 557063773 /nfs/dbraw/zinc/06/37/73/557063773.db2.gz WCEGKTMOJSJOKY-LSCVHKIXSA-N 0 0 448.431 3.952 50 0 IHAARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CCCC3)c2=O)c1 ZINC000033287055 557064334 /nfs/dbraw/zinc/06/43/34/557064334.db2.gz SINKHPDRNZNEJL-UHFFFAOYSA-N 0 0 446.551 3.643 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(Cl)cc3)n(C)c(=O)c1n2C ZINC000033287699 557064993 /nfs/dbraw/zinc/06/49/93/557064993.db2.gz FLHXWVWXENGBCD-UHFFFAOYSA-N 0 0 442.928 3.818 50 0 IHAARN O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccc(F)cc1 ZINC000033282498 557067860 /nfs/dbraw/zinc/06/78/60/557067860.db2.gz OLWTVTRYYKFTHG-UHFFFAOYSA-N 0 0 432.503 3.656 50 0 IHAARN NC(=O)c1cn(CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc12 ZINC000048333980 557068543 /nfs/dbraw/zinc/06/85/43/557068543.db2.gz DEHRMBQXEKNHLJ-QFIPXVFZSA-N 0 0 437.503 3.717 50 0 IHAARN CCc1ccc(OCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290924 557069043 /nfs/dbraw/zinc/06/90/43/557069043.db2.gz GOOLLTYQBKAWAB-HNNXBMFYSA-N 0 0 440.887 3.823 50 0 IHAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccccc4Cl)o3)CC2=O)cc1 ZINC000033291099 557069374 /nfs/dbraw/zinc/06/93/74/557069374.db2.gz KSFQMISOVVQVCN-HNNXBMFYSA-N 0 0 440.887 3.823 50 0 IHAARN CCOc1cccc(-c2noc(CSc3nc4n[nH]cc4c(=O)n3-c3ccccc3)n2)c1 ZINC000033292210 557070102 /nfs/dbraw/zinc/07/01/02/557070102.db2.gz XLKFDWLNVHKOCM-UHFFFAOYSA-N 0 0 446.492 3.850 50 0 IHAARN CCCCOCCCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O ZINC000023157155 557070195 /nfs/dbraw/zinc/07/01/95/557070195.db2.gz PMFWCGUSLLWJDA-KNTRCKAVSA-N 0 0 433.346 3.932 50 0 IHAARN C[C@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)Nc4ccc(Cl)cc4F)c23)C1 ZINC000033289440 557070811 /nfs/dbraw/zinc/07/08/11/557070811.db2.gz GGSASYHWNVZAGO-JTQLQIEISA-N 0 0 445.907 3.662 50 0 IHAARN COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000048353994 557072399 /nfs/dbraw/zinc/07/23/99/557072399.db2.gz HTBMIKRJSGALTB-XMMPIXPASA-N 0 0 435.568 3.579 50 0 IHAARN Cc1cc(-c2cc(C(=O)OCc3nnnn3-c3ccccc3)c3c(C)noc3n2)c(C)o1 ZINC000023202943 557073228 /nfs/dbraw/zinc/07/32/28/557073228.db2.gz TYGMWZAZIAZDSE-UHFFFAOYSA-N 0 0 430.424 3.741 50 0 IHAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1NC(=O)C1CC1 ZINC000033297974 557073987 /nfs/dbraw/zinc/07/39/87/557073987.db2.gz AHHHVHIQWRXTKY-ZROIWOOFSA-N 0 0 437.521 3.980 50 0 IHAARN Cc1nn(-c2ccc(C)cc2)c2ccn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c12 ZINC000033298771 557074620 /nfs/dbraw/zinc/07/46/20/557074620.db2.gz NWPDGUFVIOXVEN-UHFFFAOYSA-N 0 0 438.890 3.913 50 0 IHAARN O=C1C[C@@H](c2ccccc2)N(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCN1 ZINC000048365778 557074932 /nfs/dbraw/zinc/07/49/32/557074932.db2.gz PWVMSWWTOSQAPO-KRWDZBQOSA-N 0 0 425.583 3.998 50 0 IHAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(Br)o3)n2)cc1 ZINC000048374998 557076359 /nfs/dbraw/zinc/07/63/59/557076359.db2.gz AHINBMAIADASLG-UHFFFAOYSA-N 0 0 427.345 3.924 50 0 IHAARN Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000023246029 557077984 /nfs/dbraw/zinc/07/79/84/557077984.db2.gz WJBZNDULNUBKHK-GOSISDBHSA-N 0 0 425.360 3.768 50 0 IHAARN O=c1nc(CN2CCN(CCOc3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000023248828 557078255 /nfs/dbraw/zinc/07/82/55/557078255.db2.gz KCXCDJPEOINMMA-UHFFFAOYSA-N 0 0 446.576 3.848 50 0 IHAARN CCn1c(SCC(=O)NCc2ccccc2)nc2c(-c3ccccc3)nsc2c1=O ZINC000033300237 557079167 /nfs/dbraw/zinc/07/91/67/557079167.db2.gz GMJYLEJFHUZXEN-UHFFFAOYSA-N 0 0 436.562 3.948 50 0 IHAARN Cc1cccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4ccccc4C)c3=O)n2)c1 ZINC000048986977 557082509 /nfs/dbraw/zinc/08/25/09/557082509.db2.gz SDEFYUYNGJFHNO-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCOC)c(=O)c32)cc1 ZINC000048987982 557082837 /nfs/dbraw/zinc/08/28/37/557082837.db2.gz OJKFNCHWCJZKNT-UHFFFAOYSA-N 0 0 446.507 3.549 50 0 IHAARN Cc1ccc(-c2noc(Cn3c4ccsc4c(=O)n(-c4cccc(C)c4)c3=O)n2)cc1 ZINC000048989086 557083037 /nfs/dbraw/zinc/08/30/37/557083037.db2.gz NXOBFDSQRSOKLO-UHFFFAOYSA-N 0 0 430.489 3.929 50 0 IHAARN O=C(Nc1c2cc(F)ccc2[nH]c1C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000048990493 557083635 /nfs/dbraw/zinc/08/36/35/557083635.db2.gz FUKZVBBMSDTPQO-UHFFFAOYSA-N 0 0 443.482 3.917 50 0 IHAARN O=C(NC1CCCC1)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 ZINC000033302421 557083945 /nfs/dbraw/zinc/08/39/45/557083945.db2.gz PFGZBUHVFLIGJK-UHFFFAOYSA-N 0 0 436.581 3.782 50 0 IHAARN COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1OC ZINC000049005916 557084548 /nfs/dbraw/zinc/08/45/48/557084548.db2.gz VDRIVRBHYIZSQO-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NC[C@@H](C)c2ccccc2)c(=O)n3C(C)C)no1 ZINC000033306850 557084592 /nfs/dbraw/zinc/08/45/92/557084592.db2.gz PEUQEOFCIVXIPC-MRXNPFEDSA-N 0 0 433.512 3.662 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000033307235 557086889 /nfs/dbraw/zinc/08/68/89/557086889.db2.gz QFIIGIMTVHCXCC-UHFFFAOYSA-N 0 0 442.475 3.993 50 0 IHAARN Cc1cc(C)c(NC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)c(C)c1 ZINC000049009123 557087161 /nfs/dbraw/zinc/08/71/61/557087161.db2.gz BEEOZVZKEFNXOT-UHFFFAOYSA-N 0 0 437.500 3.745 50 0 IHAARN CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3ccc(C)cc3C)nc12 ZINC000049009097 557087222 /nfs/dbraw/zinc/08/72/22/557087222.db2.gz CJPCBOQFDCVKSF-UHFFFAOYSA-N 0 0 433.537 3.860 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000010905079 557087330 /nfs/dbraw/zinc/08/73/30/557087330.db2.gz CHHVEQTWTIULGA-FQEVSTJZSA-N 0 0 426.561 3.812 50 0 IHAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3)cn2CC(=O)N2CCCC2)n1 ZINC000033307577 557087625 /nfs/dbraw/zinc/08/76/25/557087625.db2.gz QPEKTXHCMCSYSW-UHFFFAOYSA-N 0 0 444.582 3.652 50 0 IHAARN CCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)nn2)cc1 ZINC000033308182 557087949 /nfs/dbraw/zinc/08/79/49/557087949.db2.gz YSGDHIDCFYOALP-UHFFFAOYSA-N 0 0 425.558 3.683 50 0 IHAARN O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)NCCc1ccc(Cl)cc1 ZINC000049029012 557088611 /nfs/dbraw/zinc/08/86/11/557088611.db2.gz WDYAJSUYSRWHBD-UHFFFAOYSA-N 0 0 441.944 3.836 50 0 IHAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000023375147 557088758 /nfs/dbraw/zinc/08/87/58/557088758.db2.gz VYZHPPFJMVCLDD-UHFFFAOYSA-N 0 0 437.563 3.663 50 0 IHAARN Cc1cc(C)cc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)c1 ZINC000049002184 557089873 /nfs/dbraw/zinc/08/98/73/557089873.db2.gz XJCLLQZHYNLTIN-UHFFFAOYSA-N 0 0 432.524 3.633 50 0 IHAARN COc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382399 557089871 /nfs/dbraw/zinc/08/98/71/557089871.db2.gz QPDAFCDHOGAEEB-OAQYLSRUSA-N 0 0 427.464 3.557 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000023382443 557089959 /nfs/dbraw/zinc/08/99/59/557089959.db2.gz WMSRLGMIOFGFIX-NRFANRHFSA-N 0 0 441.491 3.865 50 0 IHAARN O=C(CCN1C(=O)COc2ccccc21)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000023389040 557090237 /nfs/dbraw/zinc/09/02/37/557090237.db2.gz XGPVLFFSVRKXOA-VWLOTQADSA-N 0 0 426.476 3.584 50 0 IHAARN O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000060065521 557091210 /nfs/dbraw/zinc/09/12/10/557091210.db2.gz OROCFKZZZNPTNK-ZDUSSCGKSA-N 0 0 438.229 3.947 50 0 IHAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)n2c3ccccc3nc21 ZINC000023411204 557091429 /nfs/dbraw/zinc/09/14/29/557091429.db2.gz VWJLPNSMQFDQDT-GOSISDBHSA-N 0 0 430.867 3.782 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)nc23)cc1 ZINC000033309387 557092994 /nfs/dbraw/zinc/09/29/94/557092994.db2.gz XDUCCPQUWFZTDR-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC000033310224 557093554 /nfs/dbraw/zinc/09/35/54/557093554.db2.gz LJERRPBHYUJKAM-LJQANCHMSA-N 0 0 437.544 3.778 50 0 IHAARN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000033312751 557096466 /nfs/dbraw/zinc/09/64/66/557096466.db2.gz KVSXBUGIEQDKHF-JOCHJYFZSA-N 0 0 445.485 3.543 50 0 IHAARN COc1ccc2nc(NC(=O)CSc3nnc(-c4cccc(OC)c4)n3C)sc2c1 ZINC000023555023 557098037 /nfs/dbraw/zinc/09/80/37/557098037.db2.gz NRPYBZPZNIUKRR-UHFFFAOYSA-N 0 0 441.538 3.840 50 0 IHAARN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000072191712 557099720 /nfs/dbraw/zinc/09/97/20/557099720.db2.gz OKKGYTAGTMNGST-UHFFFAOYSA-N 0 0 433.559 3.786 50 0 IHAARN Cn1nnnc1-c1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1 ZINC000011336693 557100585 /nfs/dbraw/zinc/10/05/85/557100585.db2.gz BKPUWAHTNJXCPZ-UHFFFAOYSA-N 0 0 446.536 3.695 50 0 IHAARN CCc1noc(-c2ccc(SCC(=O)N3CCN(c4ccc(C)cc4C)CC3)nc2)n1 ZINC000049405599 557100692 /nfs/dbraw/zinc/10/06/92/557100692.db2.gz IAZPPOLZSMNUQD-UHFFFAOYSA-N 0 0 437.569 3.752 50 0 IHAARN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cc1C ZINC000049406196 557101511 /nfs/dbraw/zinc/10/15/11/557101511.db2.gz IYJMJNHPUWLWSH-UHFFFAOYSA-N 0 0 437.931 3.572 50 0 IHAARN O=C(Cc1cccs1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000049406796 557102109 /nfs/dbraw/zinc/10/21/09/557102109.db2.gz WMKMRUGQPDOXNQ-UHFFFAOYSA-N 0 0 428.945 3.755 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000085620565 557102180 /nfs/dbraw/zinc/10/21/80/557102180.db2.gz LRHWZXMZRPRTCR-OAHLLOKOSA-N 0 0 448.361 3.571 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)c1C ZINC000085620658 557102222 /nfs/dbraw/zinc/10/22/22/557102222.db2.gz RNBLZVLTIOAENS-KRWDZBQOSA-N 0 0 445.947 3.630 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc(-c3nc(-c4cccc(Cl)c4)no3)ccc2=O)cc1 ZINC000049407558 557102909 /nfs/dbraw/zinc/10/29/09/557102909.db2.gz BBTCDKSDNGBMPE-UHFFFAOYSA-N 0 0 435.871 3.815 50 0 IHAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408314 557103045 /nfs/dbraw/zinc/10/30/45/557103045.db2.gz QHKQKBDPWPOYIS-UHFFFAOYSA-N 0 0 428.901 3.787 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)c(C)c1C(=O)OC(C)C ZINC000085621583 557103189 /nfs/dbraw/zinc/10/31/89/557103189.db2.gz LVRBHLZJRWZKEU-SFHVURJKSA-N 0 0 443.519 3.504 50 0 IHAARN Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 ZINC000049408586 557103775 /nfs/dbraw/zinc/10/37/75/557103775.db2.gz DULMXSLBRVPLMJ-UHFFFAOYSA-N 0 0 432.427 3.851 50 0 IHAARN Cn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000033320954 557104842 /nfs/dbraw/zinc/10/48/42/557104842.db2.gz FCFCWFUAUYBVNO-UHFFFAOYSA-N 0 0 434.521 3.625 50 0 IHAARN CCN1c2ccc(Cl)cc2C(=O)NC12CCN(C(=O)Nc1ccccc1OC)CC2 ZINC000049410091 557105546 /nfs/dbraw/zinc/10/55/46/557105546.db2.gz AYIXVYOLXHMNKS-UHFFFAOYSA-N 0 0 428.920 3.943 50 0 biogenic IHAARN Cc1ccc(N2CN(CC(=O)Nc3ccc(C)c(F)c3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411449 557106648 /nfs/dbraw/zinc/10/66/48/557106648.db2.gz MTFLOBLXABUKLX-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nc4c(cccc4F)s3)CC2)c1 ZINC000049444004 557109565 /nfs/dbraw/zinc/10/95/65/557109565.db2.gz JRUUUKZIWCHDEF-UHFFFAOYSA-N 0 0 434.514 3.870 50 0 IHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000049543374 557110470 /nfs/dbraw/zinc/11/04/70/557110470.db2.gz HUGAHDUKVPAYPY-NRFANRHFSA-N 0 0 447.487 3.907 50 0 biogenic IHAARN Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)c1 ZINC000011355352 557110563 /nfs/dbraw/zinc/11/05/63/557110563.db2.gz YWMBVSNUUJYACC-KRWDZBQOSA-N 0 0 431.458 3.716 50 0 IHAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000049543835 557110867 /nfs/dbraw/zinc/11/08/67/557110867.db2.gz SDPSZWOEOUYSDU-CQSZACIVSA-N 0 0 430.432 3.561 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049546421 557111729 /nfs/dbraw/zinc/11/17/29/557111729.db2.gz GAGDOJAIZIQFAF-OAHLLOKOSA-N 0 0 426.494 3.673 50 0 IHAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc(C3CCCCC3)s2)n1 ZINC000049546713 557111772 /nfs/dbraw/zinc/11/17/72/557111772.db2.gz YLVONZUDMDABCG-UHFFFAOYSA-N 0 0 443.504 3.596 50 0 IHAARN COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049547129 557112191 /nfs/dbraw/zinc/11/21/91/557112191.db2.gz DPAZCFIXHIMEPK-OAHLLOKOSA-N 0 0 444.484 3.812 50 0 IHAARN COc1cc([C@@H]2CC(=O)N(c3cccc(F)c3)c3c2sc(=O)n3C)cc(OC)c1OC ZINC000049547550 557112302 /nfs/dbraw/zinc/11/23/02/557112302.db2.gz AOOUBGFHDDBGOL-HNNXBMFYSA-N 0 0 444.484 3.812 50 0 IHAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ncnc2[nH]cnc21 ZINC000033328724 557112443 /nfs/dbraw/zinc/11/24/43/557112443.db2.gz SOSCBGMGTFRUDZ-UHFFFAOYSA-N 0 0 425.495 3.599 50 0 IHAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCc1ccc2c(c1)OCCO2 ZINC000011364522 557114076 /nfs/dbraw/zinc/11/40/76/557114076.db2.gz LGCOXUDSFFCXER-UHFFFAOYSA-N 0 0 432.851 3.976 50 0 IHAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(Cn2ccnc2)cc1 ZINC000049524332 557114451 /nfs/dbraw/zinc/11/44/51/557114451.db2.gz LJIIUJSPBOOVLY-OAQYLSRUSA-N 0 0 430.508 3.961 50 0 IHAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000033332102 557116904 /nfs/dbraw/zinc/11/69/04/557116904.db2.gz PHUQPFGPEGNDJJ-AREMUKBSSA-N 0 0 445.519 3.890 50 0 IHAARN O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 ZINC000017751412 557118066 /nfs/dbraw/zinc/11/80/66/557118066.db2.gz JBZYIDAZOGZVMZ-UHFFFAOYSA-N 0 0 425.243 3.820 50 0 IHAARN O=C1NC(=O)[C@]2(Cc3cc4ccccc4nc3N3CCCC[C@H]32)C(=O)N1C1CCCCC1 ZINC000209335732 557118330 /nfs/dbraw/zinc/11/83/30/557118330.db2.gz LVGZWTUKNPJEAR-NBGIEHNGSA-N 0 0 432.524 3.547 50 0 IHAARN O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000023866001 557121200 /nfs/dbraw/zinc/12/12/00/557121200.db2.gz GHBYXRZWZRTUNK-JOCHJYFZSA-N 0 0 430.545 3.780 50 0 IHAARN CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1ccccc1F ZINC000098086198 557122333 /nfs/dbraw/zinc/12/23/33/557122333.db2.gz VFEWDZDUHUMDMF-UHFFFAOYSA-N 0 0 440.294 3.600 50 0 IHAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000023247713 557124539 /nfs/dbraw/zinc/12/45/39/557124539.db2.gz YXENYMQLCKITOR-FQEVSTJZSA-N 0 0 436.600 3.603 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000023955387 557127386 /nfs/dbraw/zinc/12/73/86/557127386.db2.gz IAYKSQCYGBJDRJ-UHFFFAOYSA-N 0 0 430.545 3.734 50 0 IHAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206693348 557129302 /nfs/dbraw/zinc/12/93/02/557129302.db2.gz OTNIETMIQUOTOM-LJQANCHMSA-N 0 0 436.489 3.917 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)CC2 ZINC000023983168 557129678 /nfs/dbraw/zinc/12/96/78/557129678.db2.gz XDGJSCHAHJVNDD-VWLOTQADSA-N 0 0 427.508 3.827 50 0 IHAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024014475 557131614 /nfs/dbraw/zinc/13/16/14/557131614.db2.gz OIUCXDXIKRZJEL-UHFFFAOYSA-N 0 0 428.536 3.643 50 0 IHAARN COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000017969870 557134471 /nfs/dbraw/zinc/13/44/71/557134471.db2.gz UELMKLYKBHWQJF-ZRBLBEILSA-N 0 0 430.460 3.760 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000024071619 557135119 /nfs/dbraw/zinc/13/51/19/557135119.db2.gz WPEDERAPUACUIT-FQEVSTJZSA-N 0 0 429.948 3.755 50 0 IHAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)c1cccs1 ZINC000024103345 557137512 /nfs/dbraw/zinc/13/75/12/557137512.db2.gz PEEVVFNPAMGPKO-UHFFFAOYSA-N 0 0 441.534 3.928 50 0 IHAARN COc1ccc(-c2cc3ncnc(NC[C@H]([C@@H]4CCOC4)N4CCOCC4)c3s2)cc1 ZINC000024204488 557140813 /nfs/dbraw/zinc/14/08/13/557140813.db2.gz TZBNMFVVWGZOKM-YLJYHZDGSA-N 0 0 440.569 3.516 50 0 IHAARN Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000024381918 557146136 /nfs/dbraw/zinc/14/61/36/557146136.db2.gz PSZDCCGALVHZOE-NHCUHLMSSA-N 0 0 430.552 3.857 50 0 IHAARN COc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1OC ZINC000011423134 557146123 /nfs/dbraw/zinc/14/61/23/557146123.db2.gz DQJPSDWHQVMHTP-UHFFFAOYSA-N 0 0 443.550 3.918 50 0 IHAARN CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247514743 557149032 /nfs/dbraw/zinc/14/90/32/557149032.db2.gz JNZKBOVMUMNORJ-UMVBOHGHSA-N 0 0 435.546 3.671 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011461447 557151910 /nfs/dbraw/zinc/15/19/10/557151910.db2.gz ZHPDKOJIWBUSMO-IBGZPJMESA-N 0 0 431.414 3.881 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)c1C ZINC000024589544 557152245 /nfs/dbraw/zinc/15/22/45/557152245.db2.gz LUBZBNCZXJJKSR-UHFFFAOYSA-N 0 0 432.480 3.737 50 0 IHAARN COc1ccc(CN(C)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F ZINC000024584960 557152297 /nfs/dbraw/zinc/15/22/97/557152297.db2.gz VRDSQBOKKKBKBK-AREMUKBSSA-N 0 0 447.510 3.914 50 0 IHAARN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613535 557155977 /nfs/dbraw/zinc/15/59/77/557155977.db2.gz WHPYSYKSQXEGTI-UHFFFAOYSA-N 0 0 428.888 3.799 50 0 IHAARN Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1[C@H]1COc2ccccc2O1 ZINC000024630770 557156789 /nfs/dbraw/zinc/15/67/89/557156789.db2.gz MERHYVBSOJLINH-RHSMWYFYSA-N 0 0 442.566 3.845 50 0 IHAARN CCOc1cc(C=O)cc(I)c1OC(=O)c1ccc(OC)cc1 ZINC000095470242 557157246 /nfs/dbraw/zinc/15/72/46/557157246.db2.gz AUAAFNKFPWMAAW-UHFFFAOYSA-N 0 0 426.206 3.730 50 0 IHAARN COCCCN1CN(c2ccccc2OC)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 ZINC000095481385 557157506 /nfs/dbraw/zinc/15/75/06/557157506.db2.gz XUXRQAGPAFMHSG-UHFFFAOYSA-N 0 0 434.540 3.556 50 0 IHAARN O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000024657708 557157586 /nfs/dbraw/zinc/15/75/86/557157586.db2.gz JXBOISNKLOXKML-RUZDIDTESA-N 0 0 440.547 3.972 50 0 IHAARN O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000016949710 557158345 /nfs/dbraw/zinc/15/83/45/557158345.db2.gz LUMXBJAXMVJBMY-UHFFFAOYSA-N 0 0 430.789 3.565 50 0 IHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc(-c2nnco2)c1 ZINC000024696363 557159014 /nfs/dbraw/zinc/15/90/14/557159014.db2.gz RQSAUYDFBQVRCE-UHFFFAOYSA-N 0 0 426.432 3.905 50 0 IHAARN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000024749658 557162036 /nfs/dbraw/zinc/16/20/36/557162036.db2.gz CJINDXSGXRAVNG-OAQYLSRUSA-N 0 0 447.603 3.708 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)ccc1F ZINC000024751127 557162266 /nfs/dbraw/zinc/16/22/66/557162266.db2.gz AVVQIOPYJYGTDD-FQEVSTJZSA-N 0 0 445.516 3.561 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)ccc1F ZINC000024751132 557162290 /nfs/dbraw/zinc/16/22/90/557162290.db2.gz AVVQIOPYJYGTDD-HXUWFJFHSA-N 0 0 445.516 3.561 50 0 IHAARN NC(=O)[C@H]1CC(C(=O)Nc2ccc(SCc3cccnc3)cc2)=NN1c1ccc(F)cc1 ZINC000024763227 557164507 /nfs/dbraw/zinc/16/45/07/557164507.db2.gz XEPAIOFWFPMOER-OAQYLSRUSA-N 0 0 449.511 3.572 50 0 IHAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000206805795 557165273 /nfs/dbraw/zinc/16/52/73/557165273.db2.gz XGCFUAFTLZWRIB-XHDPSFHLSA-N 0 0 448.299 3.516 50 0 IHAARN O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC[C@H]1c1cccnc1 ZINC000024778687 557167444 /nfs/dbraw/zinc/16/74/44/557167444.db2.gz GIWXAGFFKKSBRD-NRFANRHFSA-N 0 0 441.578 3.641 50 0 IHAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc(C)c(C)n1C1CCCC1 ZINC000024828942 557169811 /nfs/dbraw/zinc/16/98/11/557169811.db2.gz VPOLZSNNZVMHIO-UHFFFAOYSA-N 0 0 434.631 3.934 50 0 IHAARN Cn1c(=O)oc2ccc(S(=O)(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)cc21 ZINC000207001717 557170333 /nfs/dbraw/zinc/17/03/33/557170333.db2.gz ZDWXGQJCLCPHIS-GOSISDBHSA-N 0 0 438.958 3.654 50 0 IHAARN O[C@H](COc1cccc2ccccc21)Cn1nnc(-c2ccccc2Br)n1 ZINC000024831624 557170677 /nfs/dbraw/zinc/17/06/77/557170677.db2.gz DZUHQCODRATGHZ-HNNXBMFYSA-N 0 0 425.286 3.696 50 0 IHAARN COc1ccc(-c2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)sc2C)cc1 ZINC000024834170 557171640 /nfs/dbraw/zinc/17/16/40/557171640.db2.gz QTKKVFANPDQFLV-LBPRGKRZSA-N 0 0 449.529 3.572 50 0 IHAARN COc1cc(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(Cl)c1OC(F)F ZINC000024839602 557172978 /nfs/dbraw/zinc/17/29/78/557172978.db2.gz RXACOJGEBOPQKR-UHFFFAOYSA-N 0 0 449.859 3.557 50 0 IHAARN C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000024843593 557173957 /nfs/dbraw/zinc/17/39/57/557173957.db2.gz XLFVGRDFTNSGKF-IAGOWNOFSA-N 0 0 445.519 3.646 50 0 IHAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000024865276 557175243 /nfs/dbraw/zinc/17/52/43/557175243.db2.gz JFDVRQLRMYJPMH-UHFFFAOYSA-N 0 0 437.550 3.880 50 0 IHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000010971029 557182432 /nfs/dbraw/zinc/18/24/32/557182432.db2.gz WPQLLDIEJAHDEL-OAHLLOKOSA-N 0 0 443.931 3.720 50 0 IHAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000009265049 557182679 /nfs/dbraw/zinc/18/26/79/557182679.db2.gz AITKMCRQJSHLIK-UHFFFAOYSA-N 0 0 436.468 3.904 50 0 IHAARN CC(C)(C)c1cc(NC(=O)c2ccccc2Br)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000024969525 557183712 /nfs/dbraw/zinc/18/37/12/557183712.db2.gz LHDKSRTVLMDKMY-LBPRGKRZSA-N 0 0 440.363 3.555 50 0 IHAARN C[C@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NCCC1=CCCCC1 ZINC000024982946 557185520 /nfs/dbraw/zinc/18/55/20/557185520.db2.gz PSBQWPVEPMMZAI-AWEZNQCLSA-N 0 0 437.587 3.565 50 0 IHAARN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)cc1F ZINC000024986758 557186435 /nfs/dbraw/zinc/18/64/35/557186435.db2.gz WGDPFPMWPOTKIK-QGZVFWFLSA-N 0 0 435.455 3.649 50 0 IHAARN COc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C ZINC000009329039 557187246 /nfs/dbraw/zinc/18/72/46/557187246.db2.gz ZTHSHFICDAXWTQ-ZDUSSCGKSA-N 0 0 433.559 3.595 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(C)c1C ZINC000024989711 557187338 /nfs/dbraw/zinc/18/73/38/557187338.db2.gz IRELLMPOMDFGNL-UHFFFAOYSA-N 0 0 443.550 3.522 50 0 IHAARN Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n(C)c21 ZINC000100821270 557187782 /nfs/dbraw/zinc/18/77/82/557187782.db2.gz YQIYVNVFFVEQNS-GHVJWSGMSA-N 0 0 443.594 3.710 50 0 IHAARN O=C(OCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000024992320 557188057 /nfs/dbraw/zinc/18/80/57/557188057.db2.gz FTMLOZBGXDEXIN-UHFFFAOYSA-N 0 0 427.416 3.619 50 0 IHAARN COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OCC(N)=O ZINC000097995906 557188188 /nfs/dbraw/zinc/18/81/88/557188188.db2.gz AVJWGSBVUOZMJB-LICLKQGHSA-N 0 0 442.899 3.855 50 0 IHAARN Cc1cc(C)n(-c2ccccc2NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 ZINC000025013941 557189227 /nfs/dbraw/zinc/18/92/27/557189227.db2.gz MXLUHJUGVMBINU-UHFFFAOYSA-N 0 0 432.505 3.790 50 0 IHAARN CCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000025053194 557191695 /nfs/dbraw/zinc/19/16/95/557191695.db2.gz MOMFSUHEJFJGKQ-UHFFFAOYSA-N 0 0 447.926 3.666 50 0 IHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@@H](C)C2 ZINC000025054335 557191999 /nfs/dbraw/zinc/19/19/99/557191999.db2.gz BUKJVRCGISGZLE-NEPJUHHUSA-N 0 0 448.516 3.955 50 0 IHAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000100872549 557194218 /nfs/dbraw/zinc/19/42/18/557194218.db2.gz LGUKILDMNVBFID-VZCXRCSSSA-N 0 0 449.326 3.624 50 0 IHAARN O=C(COc1cccc(N2CCCC2=O)c1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025145987 557196450 /nfs/dbraw/zinc/19/64/50/557196450.db2.gz CPKMUTRQOQLNPX-AREMUKBSSA-N 0 0 440.503 3.974 50 0 IHAARN Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C3CC3)CC2)c(C)n1CCc1ccccc1 ZINC000025161741 557197560 /nfs/dbraw/zinc/19/75/60/557197560.db2.gz XAYDSHJNURMIHG-UHFFFAOYSA-N 0 0 436.552 3.722 50 0 IHAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cccc2ccccc21 ZINC000100876225 557197700 /nfs/dbraw/zinc/19/77/00/557197700.db2.gz AHPOOOODHZWUQW-VHXPQNKSSA-N 0 0 434.473 3.557 50 0 IHAARN CCOC(=O)c1ccc(Nc2nc3nonc3nc2Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000000793490 557200311 /nfs/dbraw/zinc/20/03/11/557200311.db2.gz YKEBMBYDPNVUPY-UHFFFAOYSA-N 0 0 448.439 3.853 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1)n1cncn1 ZINC000025294070 557203163 /nfs/dbraw/zinc/20/31/63/557203163.db2.gz PXJXYGRHXLVLCT-KRWDZBQOSA-N 0 0 439.475 3.961 50 0 IHAARN CCc1nc2ccccc2n1CC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000018012392 557209237 /nfs/dbraw/zinc/20/92/37/557209237.db2.gz DLMYBFLAXDSCFJ-UHFFFAOYSA-N 0 0 434.418 3.594 50 0 IHAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)CC3 ZINC000025453713 557210453 /nfs/dbraw/zinc/21/04/53/557210453.db2.gz DJHLUAGIPJWDID-XMMPIXPASA-N 0 0 443.503 3.803 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc2c(c1)OCO2 ZINC000010230842 557212735 /nfs/dbraw/zinc/21/27/35/557212735.db2.gz BDWCWWQLOJEKBJ-UHFFFAOYSA-N 0 0 436.415 3.842 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000000798658 557213588 /nfs/dbraw/zinc/21/35/88/557213588.db2.gz ODJCRSHKYDCDOK-UHFFFAOYSA-N 0 0 429.325 3.795 50 0 IHAARN O=S(=O)(c1ccc(-c2cs/c(=N/c3ccccc3)n2CCO)cc1)N1CCCCC1 ZINC000101025524 557214449 /nfs/dbraw/zinc/21/44/49/557214449.db2.gz ZBFUVRLGRUOYLJ-GHVJWSGMSA-N 0 0 443.594 3.616 50 0 IHAARN C=CC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000025572703 557215004 /nfs/dbraw/zinc/21/50/04/557215004.db2.gz CFRJRPXHSQQNSW-SNVBAGLBSA-N 0 0 431.570 3.734 50 0 IHAARN FC(F)Oc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000025572271 557215128 /nfs/dbraw/zinc/21/51/28/557215128.db2.gz PIKKJHHZXVGDGU-UHFFFAOYSA-N 0 0 435.496 3.574 50 0 IHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000025592619 557218085 /nfs/dbraw/zinc/21/80/85/557218085.db2.gz AAJQDFJXCSVCFV-UHFFFAOYSA-N 0 0 439.537 3.664 50 0 IHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000025607800 557218990 /nfs/dbraw/zinc/21/89/90/557218990.db2.gz MLUBWUIJIRBZCN-HNNXBMFYSA-N 0 0 444.520 3.672 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 ZINC000025653667 557220714 /nfs/dbraw/zinc/22/07/14/557220714.db2.gz WKDAHMOVFUVHLX-LJQANCHMSA-N 0 0 428.476 3.829 50 0 IHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000025717065 557223268 /nfs/dbraw/zinc/22/32/68/557223268.db2.gz URYVQNCTCAZALL-SFHVURJKSA-N 0 0 442.585 3.597 50 0 IHAARN CC(C)c1cccc(N2C[C@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)c1 ZINC000025761770 557224829 /nfs/dbraw/zinc/22/48/29/557224829.db2.gz OJJFHNJFULNWHA-HSZRJFAPSA-N 0 0 447.579 3.718 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000010812438 557225020 /nfs/dbraw/zinc/22/50/20/557225020.db2.gz FVIWAODBVQPRFA-HNNXBMFYSA-N 0 0 426.947 3.786 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2-c2ccccc2)N2CCOCC2)cc1 ZINC000025777423 557225443 /nfs/dbraw/zinc/22/54/43/557225443.db2.gz OAHZHDRFSQMGHK-RUZDIDTESA-N 0 0 446.547 3.931 50 0 IHAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1)[C@@H]1CCCO1 ZINC000025807174 557227165 /nfs/dbraw/zinc/22/71/65/557227165.db2.gz MKPQUVSMFCBCGO-IRLDBZIGSA-N 0 0 436.508 3.943 50 0 IHAARN COc1ccc(-c2nc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cs2)cc1OC ZINC000025844124 557228398 /nfs/dbraw/zinc/22/83/98/557228398.db2.gz PRAJNCIRXPTYFX-IBGZPJMESA-N 0 0 426.494 3.814 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc(NC(N)=O)cc3)cc2)c1 ZINC000025879489 557228996 /nfs/dbraw/zinc/22/89/96/557228996.db2.gz CRNWAHSICLGXJB-UHFFFAOYSA-N 0 0 439.493 3.814 50 0 IHAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025920642 557230407 /nfs/dbraw/zinc/23/04/07/557230407.db2.gz HWBNXOWFDOCGHM-UHFFFAOYSA-N 0 0 445.519 3.698 50 0 IHAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)CCCn3c(=O)oc4ccccc43)c2)c1C ZINC000025986988 557231597 /nfs/dbraw/zinc/23/15/97/557231597.db2.gz HYRVBMXMVUMDSP-UHFFFAOYSA-N 0 0 448.479 3.684 50 0 IHAARN Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000026018559 557232292 /nfs/dbraw/zinc/23/22/92/557232292.db2.gz FPJCUIGHUOIEKV-MRXNPFEDSA-N 0 0 435.505 3.599 50 0 IHAARN O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1coc(-c2cccs2)n1 ZINC000026065184 557233169 /nfs/dbraw/zinc/23/31/69/557233169.db2.gz RFZPBSFUDMVSAD-UHFFFAOYSA-N 0 0 428.558 3.677 50 0 IHAARN O=C(c1csc(-c2ccsc2)n1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000026113879 557234856 /nfs/dbraw/zinc/23/48/56/557234856.db2.gz ZGZZSILVQAMAQW-UHFFFAOYSA-N 0 0 439.609 3.516 50 0 IHAARN O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000026115285 557234921 /nfs/dbraw/zinc/23/49/21/557234921.db2.gz IYOLGQNKNJXUQU-UHFFFAOYSA-N 0 0 436.574 3.669 50 0 IHAARN CCOc1ccc2c(c1)sc1ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)n21 ZINC000098212022 557235448 /nfs/dbraw/zinc/23/54/48/557235448.db2.gz VAKHGSYIPYAORT-UHFFFAOYSA-N 0 0 438.889 3.933 50 0 IHAARN CN(c1ccc(-c2csc(NC(=O)C3=Cc4ccccc4OC3)n2)cc1)S(C)(=O)=O ZINC000018086937 557236105 /nfs/dbraw/zinc/23/61/05/557236105.db2.gz LETOHJUNOMBISD-UHFFFAOYSA-N 0 0 441.534 3.620 50 0 IHAARN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1Cl ZINC000018118468 557238323 /nfs/dbraw/zinc/23/83/23/557238323.db2.gz YJBMGDPGZIJORN-JQBYJRRVSA-N 0 0 428.875 3.877 50 0 IHAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3ccccn32)c1 ZINC000018124205 557239945 /nfs/dbraw/zinc/23/99/45/557239945.db2.gz YZLSITSTKOHEKG-UHFFFAOYSA-N 0 0 438.491 3.580 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000026464956 557242157 /nfs/dbraw/zinc/24/21/57/557242157.db2.gz DRBKYYJNYGVCJZ-YBEGLDIGSA-N 0 0 434.520 3.742 50 0 IHAARN O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC[C@@H]1COc2ccccc2O1 ZINC000026711165 557247123 /nfs/dbraw/zinc/24/71/23/557247123.db2.gz MUTIVNUJJMJHIJ-GOSISDBHSA-N 0 0 444.443 3.608 50 0 IHAARN O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC[C@H]1COc2ccccc2O1 ZINC000026711169 557247132 /nfs/dbraw/zinc/24/71/32/557247132.db2.gz MUTIVNUJJMJHIJ-SFHVURJKSA-N 0 0 444.443 3.608 50 0 IHAARN COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604418780 557250865 /nfs/dbraw/zinc/25/08/65/557250865.db2.gz CNGKYJYDNOYPIF-IBGZPJMESA-N 0 0 447.491 3.783 50 0 IHAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000026923078 557251307 /nfs/dbraw/zinc/25/13/07/557251307.db2.gz YZNHVROMKWHQIY-RDGATRHJSA-N 0 0 436.519 3.887 50 0 IHAARN CC(=O)Oc1cc2ccccc2cc1-c1nc2s/c(=C\c3ccc(C)cc3)c(=O)n2n1 ZINC000026966068 557252799 /nfs/dbraw/zinc/25/27/99/557252799.db2.gz VEGSRDDDQKZGQT-NHDPSOOVSA-N 0 0 427.485 3.753 50 0 IHAARN O=C(CSc1ccccn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000018241265 557253732 /nfs/dbraw/zinc/25/37/32/557253732.db2.gz OHISMFCKXQTPNY-UHFFFAOYSA-N 0 0 425.963 3.640 50 0 IHAARN CSCC[C@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101098320 557254949 /nfs/dbraw/zinc/25/49/49/557254949.db2.gz LZUWOZFMXDXUCZ-IJEWVQPXSA-N 0 0 431.583 3.556 50 0 IHAARN O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000027065107 557256126 /nfs/dbraw/zinc/25/61/26/557256126.db2.gz ZNZYRCHYZUVTMG-SFHVURJKSA-N 0 0 441.380 3.942 50 0 IHAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2ccc(F)cc2)c1 ZINC000101114058 557256554 /nfs/dbraw/zinc/25/65/54/557256554.db2.gz URBKKNGOBUZZAD-XAYXJRQQSA-N 0 0 432.455 3.853 50 0 IHAARN COc1cccc(CCn2c(=O)nc3ccccc3c2NC(=O)Nc2ccccc2F)c1 ZINC000101114062 557256599 /nfs/dbraw/zinc/25/65/99/557256599.db2.gz KZRNSWVGHIDPPB-XAYXJRQQSA-N 0 0 432.455 3.853 50 0 IHAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000027143929 557257894 /nfs/dbraw/zinc/25/78/94/557257894.db2.gz FUGMFJXVGWTVPZ-QGZVFWFLSA-N 0 0 443.853 3.609 50 0 IHAARN COc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3c3nnc4ccccn43)cs2)cc1OC ZINC000027160861 557258296 /nfs/dbraw/zinc/25/82/96/557258296.db2.gz ISRGLRCCUSFZLP-QGZVFWFLSA-N 0 0 449.536 3.776 50 0 IHAARN Cc1cc2nc(C)c(CCC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c(C)n2n1 ZINC000027181784 557258556 /nfs/dbraw/zinc/25/85/56/557258556.db2.gz HCWNHFZVZXWNMT-UHFFFAOYSA-N 0 0 431.496 3.749 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101249767 557264718 /nfs/dbraw/zinc/26/47/18/557264718.db2.gz RDKFKJJETCYGCY-SMIHKQSGSA-N 0 0 441.487 3.692 50 0 IHAARN COc1cc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)cc(OC)c1OC ZINC000101220183 557266027 /nfs/dbraw/zinc/26/60/27/557266027.db2.gz JGRYMUBONFJPIE-OAHLLOKOSA-N 0 0 444.289 3.517 50 0 IHAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 ZINC000032954484 557267622 /nfs/dbraw/zinc/26/76/22/557267622.db2.gz CRXMXGHOKCOJDS-UHFFFAOYSA-N 0 0 434.564 3.759 50 0 IHAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1 ZINC000100659472 557268795 /nfs/dbraw/zinc/26/87/95/557268795.db2.gz CPEZEKKRZZXPJI-WMZOPIPTSA-N 0 0 448.449 3.569 50 0 IHAARN O=C(c1ccccc1Cl)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027662883 557269224 /nfs/dbraw/zinc/26/92/24/557269224.db2.gz HZUVHBLSMNJWEM-NSHDSACASA-N 0 0 432.723 3.525 50 0 IHAARN O=C(NCCc1ccccc1)c1c2c(sc1NC(=O)[C@@H]1COc3ccccc3O1)CCC2 ZINC000027663643 557269714 /nfs/dbraw/zinc/26/97/14/557269714.db2.gz APPPDMUJRQHKQK-FQEVSTJZSA-N 0 0 448.544 3.988 50 0 IHAARN COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)cc1 ZINC000027663488 557269788 /nfs/dbraw/zinc/26/97/88/557269788.db2.gz LIXRLXRNFBUWGK-UHFFFAOYSA-N 0 0 426.494 3.786 50 0 IHAARN COc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000824543 557270038 /nfs/dbraw/zinc/27/00/38/557270038.db2.gz IKMDYBDHAJLBQA-UHFFFAOYSA-N 0 0 438.549 3.858 50 0 IHAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000027664164 557270231 /nfs/dbraw/zinc/27/02/31/557270231.db2.gz MBNYXWWYELYPEF-DEOSSOPVSA-N 0 0 441.443 3.962 50 0 IHAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(O)c12)c1ccccc1 ZINC000100742711 557273989 /nfs/dbraw/zinc/27/39/89/557273989.db2.gz POFLBRDUUZVHIQ-TZIWHRDSSA-N 0 0 429.863 3.957 50 0 aggregator IHAARN CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000027794498 557274765 /nfs/dbraw/zinc/27/47/65/557274765.db2.gz CURJCRNQZMIILC-UHFFFAOYSA-N 0 0 431.496 3.987 50 0 IHAARN CC(C)N1c2ccc(Br)cc2[C@H](Cc2nc3ccccc3c(=O)n2C)C1=O ZINC000101583436 557291107 /nfs/dbraw/zinc/29/11/07/557291107.db2.gz PYZDPEZMRVERAK-INIZCTEOSA-N 0 0 426.314 3.777 50 0 IHAARN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC1CCCCCC1 ZINC000101629279 557291854 /nfs/dbraw/zinc/29/18/54/557291854.db2.gz QHVBNYVKYULRHE-PMACEKPBSA-N 0 0 432.586 3.671 50 0 IHAARN O=C(NCCn1ncc2c1ncnc2N1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000011665959 557294464 /nfs/dbraw/zinc/29/44/64/557294464.db2.gz YNIYXSODDUORTC-UHFFFAOYSA-N 0 0 432.450 3.656 50 0 IHAARN O=C(CNC(=O)COc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000014076805 557299420 /nfs/dbraw/zinc/29/94/20/557299420.db2.gz HGFPJXZNTDMXKI-UHFFFAOYSA-N 0 0 443.297 3.521 50 0 IHAARN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](C)CC[C@@H]4C3=O)cc2)cc1 ZINC000102642527 557304546 /nfs/dbraw/zinc/30/45/46/557304546.db2.gz OZENKDBZZCUWAR-GQWLDOHISA-N 0 0 435.476 3.661 50 0 IHAARN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000102695217 557305461 /nfs/dbraw/zinc/30/54/61/557305461.db2.gz OHNHTPFJJGKPLR-LZLYRXPVSA-N 0 0 438.530 3.549 50 0 IHAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000014141970 557310509 /nfs/dbraw/zinc/31/05/09/557310509.db2.gz HYSJHRORLGEBHO-UHFFFAOYSA-N 0 0 437.503 3.533 50 0 IHAARN COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000832074 557312232 /nfs/dbraw/zinc/31/22/32/557312232.db2.gz BRVGCBBEULFFPX-UHFFFAOYSA-N 0 0 438.549 3.824 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000014179850 557313893 /nfs/dbraw/zinc/31/38/93/557313893.db2.gz YXKNKUKIQXMMMA-GOSISDBHSA-N 0 0 437.359 3.939 50 0 IHAARN Cc1sc2ncn(CCC(=O)N(C)Cc3nc4ccccc4n3C(F)F)c(=O)c2c1C ZINC000032753524 557314963 /nfs/dbraw/zinc/31/49/63/557314963.db2.gz QOINPVGSMSKPHD-UHFFFAOYSA-N 0 0 445.495 3.868 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000014201399 557317556 /nfs/dbraw/zinc/31/75/56/557317556.db2.gz ARNBTPHFYAHXEG-DEOSSOPVSA-N 0 0 428.536 3.836 50 0 IHAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)C1 ZINC000032944258 557317767 /nfs/dbraw/zinc/31/77/67/557317767.db2.gz PBMAKQQZXPHGSG-YXBWYFRISA-N 0 0 445.585 3.615 50 0 IHAARN CCCCOc1ccc(CNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000032973954 557319976 /nfs/dbraw/zinc/31/99/76/557319976.db2.gz AYEKEFVOGOBNDM-UHFFFAOYSA-N 0 0 444.597 3.973 50 0 IHAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)cc1 ZINC000033062796 557323354 /nfs/dbraw/zinc/32/33/54/557323354.db2.gz XHZDZYQADYKJDC-UHFFFAOYSA-N 0 0 433.917 3.885 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)C1 ZINC000033250710 557327279 /nfs/dbraw/zinc/32/72/79/557327279.db2.gz VBFXNWNGPGLNTF-XAZATZFJSA-N 0 0 449.548 3.608 50 0 IHAARN CC(C)CCNC(=O)[C@H]1CCCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)C1 ZINC000033302569 557331320 /nfs/dbraw/zinc/33/13/20/557331320.db2.gz LXWSJBPCSJNCMD-INIZCTEOSA-N 0 0 442.560 3.965 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCc4sccc4C3)nnc2N2CCCC2)cc1 ZINC000014306532 557333714 /nfs/dbraw/zinc/33/37/14/557333714.db2.gz CHDZJMIRFAINGR-UHFFFAOYSA-N 0 0 439.610 3.914 50 0 IHAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000033530661 557340226 /nfs/dbraw/zinc/34/02/26/557340226.db2.gz VTFGIOABZNTPQW-UHFFFAOYSA-N 0 0 443.506 3.630 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000023428185 557353897 /nfs/dbraw/zinc/35/38/97/557353897.db2.gz DDQYQVNVEJUFEM-UHFFFAOYSA-N 0 0 436.487 3.524 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000023435823 557354236 /nfs/dbraw/zinc/35/42/36/557354236.db2.gz KEWCDMVQNJYPHR-UHFFFAOYSA-N 0 0 433.555 3.959 50 0 IHAARN CS(=O)(=O)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023679944 557371466 /nfs/dbraw/zinc/37/14/66/557371466.db2.gz LNLANWFOHLZQMN-UHFFFAOYSA-N 0 0 434.561 3.638 50 0 IHAARN CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccccc3Cl)N12 ZINC000102745778 557377976 /nfs/dbraw/zinc/37/79/76/557377976.db2.gz CAAOLDAECIKTRN-LJQANCHMSA-N 0 0 449.960 3.631 50 0 IHAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2[C@@H]1c1cccs1 ZINC000102749195 557379226 /nfs/dbraw/zinc/37/92/26/557379226.db2.gz ZISRUBMONWWTML-GOSISDBHSA-N 0 0 429.523 3.796 50 0 IHAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000011691956 557385633 /nfs/dbraw/zinc/38/56/33/557385633.db2.gz HHJQIWBPCDOHAB-OAHLLOKOSA-N 0 0 435.915 3.929 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013955763 557397402 /nfs/dbraw/zinc/39/74/02/557397402.db2.gz OCTLHFYRVAEWDG-FUHWJXTLSA-N 0 0 429.590 3.575 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccccc1F ZINC000013955829 557397754 /nfs/dbraw/zinc/39/77/54/557397754.db2.gz WAULYYRPCPFOFV-UHFFFAOYSA-N 0 0 427.505 3.658 50 0 IHAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000004867170 557398947 /nfs/dbraw/zinc/39/89/47/557398947.db2.gz CGVMMKIJAUJMOU-UHFFFAOYSA-N 0 0 426.488 3.656 50 0 IHAARN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000408516274 557411852 /nfs/dbraw/zinc/41/18/52/557411852.db2.gz GJDVZVVKEPHOIN-SFHVURJKSA-N 0 0 437.500 3.509 50 0 IHAARN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)CCCNC(=O)c1ccsc1 ZINC000408517008 557412364 /nfs/dbraw/zinc/41/23/64/557412364.db2.gz LMYFCOGOSSTCSL-UHFFFAOYSA-N 0 0 428.963 3.732 50 0 IHAARN O=S(=O)(c1cccc2ncccc21)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000408518420 557412738 /nfs/dbraw/zinc/41/27/38/557412738.db2.gz GMTSWTAQVCVEEA-OAHLLOKOSA-N 0 0 448.342 3.767 50 0 IHAARN Cc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)cc1F ZINC000004956463 557415336 /nfs/dbraw/zinc/41/53/36/557415336.db2.gz DMKRDMBWBDUBMG-UHFFFAOYSA-N 0 0 427.520 3.577 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 ZINC000014068028 557419935 /nfs/dbraw/zinc/41/99/35/557419935.db2.gz TVSPISAPKPOWFX-UHFFFAOYSA-N 0 0 431.492 3.908 50 0 IHAARN COc1ccc(NC(=O)c2ccc(N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000103292102 557433509 /nfs/dbraw/zinc/43/35/09/557433509.db2.gz DJTHEBNQHWFBNU-JOCHJYFZSA-N 0 0 445.475 3.700 50 0 IHAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc(F)c3)N12 ZINC000100942628 557454897 /nfs/dbraw/zinc/45/48/97/557454897.db2.gz OOCYOQAFGLNYRA-HXUWFJFHSA-N 0 0 447.532 3.505 50 0 IHAARN O=S(=O)(c1cccc(CSc2ncc(-c3ccc(F)cc3)o2)c1)N1CCOCC1 ZINC000014803629 557457258 /nfs/dbraw/zinc/45/72/58/557457258.db2.gz CHOMQAUTEUBQCV-UHFFFAOYSA-N 0 0 434.514 3.794 50 0 IHAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000014804888 557457296 /nfs/dbraw/zinc/45/72/96/557457296.db2.gz BNJOBRSHWQHHPG-INIZCTEOSA-N 0 0 432.876 3.883 50 0 IHAARN CCOc1ccc(CN(C(=O)c2cccc(C)c2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000101878106 557457620 /nfs/dbraw/zinc/45/76/20/557457620.db2.gz SFGLYKNHNZCQDO-UHFFFAOYSA-N 0 0 431.496 3.589 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000051316440 557464353 /nfs/dbraw/zinc/46/43/53/557464353.db2.gz VCRKQMZHVHQWLP-UHFFFAOYSA-N 0 0 449.536 3.855 50 0 IHAARN COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NC3CC3)[C@@H]2C1 ZINC000104917164 557465181 /nfs/dbraw/zinc/46/51/81/557465181.db2.gz SMWNNDMTVRZQQC-NQIIRXRSSA-N 0 0 445.485 3.860 50 0 IHAARN C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000105702944 557509972 /nfs/dbraw/zinc/50/99/72/557509972.db2.gz HLOGUQHTYWHEKH-XQQFMLRXSA-N 0 0 429.468 3.546 50 0 IHAARN CC(=O)Nc1cccc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)c1 ZINC000046915899 557514081 /nfs/dbraw/zinc/51/40/81/557514081.db2.gz VTRCEYFXTCCQFL-UHFFFAOYSA-N 0 0 427.508 3.605 50 0 IHAARN O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000047146342 557517052 /nfs/dbraw/zinc/51/70/52/557517052.db2.gz RUZGNJZSHIOIHH-UHFFFAOYSA-N 0 0 430.892 3.751 50 0 IHAARN Cc1ccc(C)c(C(=O)COC(=O)[C@@H](NS(=O)(=O)C=Cc2ccccc2)C(C)C)c1 ZINC000003364451 557526413 /nfs/dbraw/zinc/52/64/13/557526413.db2.gz UJRCMNNNRFAABA-GNNUASRNSA-N 0 0 429.538 3.644 50 0 IHAARN O=C(/C=C/c1ccc(Br)o1)OCc1nc2ccc(Cl)cc2n1CCO ZINC000003430257 557527994 /nfs/dbraw/zinc/52/79/94/557527994.db2.gz JWAXXSBVKSWOBX-ZZXKWVIFSA-N 0 0 425.666 3.794 50 0 IHAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NCCC1=CCCCC1 ZINC000045960700 557554608 /nfs/dbraw/zinc/55/46/08/557554608.db2.gz DPHSNANBWRXATF-UHFFFAOYSA-N 0 0 441.597 3.758 50 0 IHAARN CCc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N(CC)CC)cc21 ZINC000045960795 557554854 /nfs/dbraw/zinc/55/48/54/557554854.db2.gz BGBUITKTUORVRQ-UHFFFAOYSA-N 0 0 425.554 3.808 50 0 IHAARN CC(C)(C)c1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000045961395 557555092 /nfs/dbraw/zinc/55/50/92/557555092.db2.gz UYWKRJACNPXZTC-UHFFFAOYSA-N 0 0 448.548 3.811 50 0 IHAARN Cc1cccc(NC(=O)N2CCC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c1 ZINC000040146591 557703133 /nfs/dbraw/zinc/70/31/33/557703133.db2.gz WTSNKOPFBQVMOT-UHFFFAOYSA-N 0 0 448.567 3.660 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1 ZINC000040267651 557708388 /nfs/dbraw/zinc/70/83/88/557708388.db2.gz KPVHZFINMZMQQT-UHFFFAOYSA-N 0 0 435.505 3.506 50 0 IHAARN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000225444604 557723506 /nfs/dbraw/zinc/72/35/06/557723506.db2.gz NGCSJTNRFFGLEI-ZIAGYGMSSA-N 0 0 426.738 3.837 50 0 IHAARN COc1ccccc1C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccco1 ZINC000225518707 557734399 /nfs/dbraw/zinc/73/43/99/557734399.db2.gz ZYANVAPPKOXNBO-LJQANCHMSA-N 0 0 439.493 3.651 50 0 IHAARN Cc1cc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000225532855 557737547 /nfs/dbraw/zinc/73/75/47/557737547.db2.gz NYNRGYDSDATADP-MRDQGFSESA-N 0 0 444.535 3.699 50 0 IHAARN Cc1c(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cnn1C(F)F ZINC000040454466 557737576 /nfs/dbraw/zinc/73/75/76/557737576.db2.gz QPLHPUGTDAHVRK-KRWDZBQOSA-N 0 0 445.495 3.584 50 0 IHAARN CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ncccc1C ZINC000225595864 557749436 /nfs/dbraw/zinc/74/94/36/557749436.db2.gz VMLFHVBLWGUQDI-UHFFFAOYSA-N 0 0 429.586 3.940 50 0 IHAARN CCn1ccnc1CN(C(=O)C1=CCCCO1)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225668980 557760141 /nfs/dbraw/zinc/76/01/41/557760141.db2.gz FACXNKPKNPOQCL-IBGZPJMESA-N 0 0 444.576 3.716 50 0 IHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)ccc1C ZINC000225727779 557769593 /nfs/dbraw/zinc/76/95/93/557769593.db2.gz AQONACAUCWPLRP-VXKWHMMOSA-N 0 0 432.586 3.514 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)C3(c4cccc(Br)c4)CC(=O)C3)cc2)CCO1 ZINC000225808616 557779584 /nfs/dbraw/zinc/77/95/84/557779584.db2.gz UQMHLKAVCSCLJT-OAHLLOKOSA-N 0 0 443.341 3.914 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(Cl)c2)[C@@H](c2ccncc2)C1 ZINC000225844794 557784491 /nfs/dbraw/zinc/78/44/91/557784491.db2.gz NJVSHGJBZXOJQT-HXUWFJFHSA-N 0 0 444.963 3.645 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1C ZINC000041024930 557805639 /nfs/dbraw/zinc/80/56/39/557805639.db2.gz CYLFLSLTHDSGGT-IBGZPJMESA-N 0 0 439.537 3.544 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000024987631 557828988 /nfs/dbraw/zinc/82/89/88/557828988.db2.gz NNMWGUOZNTZJDC-SFHVURJKSA-N 0 0 429.977 3.615 50 0 IHAARN O=C(Nc1cc(F)cc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000024991151 557830643 /nfs/dbraw/zinc/83/06/43/557830643.db2.gz WYPFQRRFHQPJLR-LJQANCHMSA-N 0 0 434.439 3.632 50 0 IHAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC1CC[NH+](Cc3ccccc3F)CC1)c2=O ZINC000012415771 557835586 /nfs/dbraw/zinc/83/55/86/557835586.db2.gz XTMKMDAXUUKRJE-UHFFFAOYSA-N 0 0 441.528 3.523 50 0 IHAARN CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccccc2Br)NC(=O)N1 ZINC000000863155 557836543 /nfs/dbraw/zinc/83/65/43/557836543.db2.gz OQXWAEMCGAXMOH-NSHDSACASA-N 0 0 443.166 3.818 50 0 IHAARN CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000869508 557840457 /nfs/dbraw/zinc/84/04/57/557840457.db2.gz AJGDPWOLYLNIOF-UHFFFAOYSA-N 0 0 445.928 3.968 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1C ZINC000239009519 557842424 /nfs/dbraw/zinc/84/24/24/557842424.db2.gz ATHCHAZVWVEPPU-YPAWHYETSA-N 0 0 437.515 3.723 50 0 IHAARN CCOC(=O)[C@H]1CCCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)C1 ZINC000239339096 557844065 /nfs/dbraw/zinc/84/40/65/557844065.db2.gz LRMBMBPGFKLKDE-RDPSFJRHSA-N 0 0 446.551 3.998 50 0 IHAARN O=S(=O)(NCc1nccn1-c1ccccc1)c1ccc(Br)cc1Cl ZINC000239619495 557844836 /nfs/dbraw/zinc/84/48/36/557844836.db2.gz BFADQULNHFYSJA-UHFFFAOYSA-N 0 0 426.723 3.767 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)COC[C@H]1CCOC1)CC(C)(C)O2 ZINC000240744116 557845699 /nfs/dbraw/zinc/84/56/99/557845699.db2.gz HUQKFXGEFMZWGM-MAUKXSAKSA-N 0 0 434.533 3.805 50 0 IHAARN COc1cccc(NC(=O)N2CCO[C@H](CN(CC3CC3)C(=O)c3cccc(F)c3)C2)c1 ZINC000034692357 557849045 /nfs/dbraw/zinc/84/90/45/557849045.db2.gz SRJPYQDDGCHEDN-QFIPXVFZSA-N 0 0 441.503 3.619 50 0 IHAARN CCc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294792 557850023 /nfs/dbraw/zinc/85/00/23/557850023.db2.gz AHHPOYJXGWZWQZ-KYCQWFEFSA-N 0 0 432.557 3.972 50 0 IHAARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4OC)cc3n2)cc1 ZINC000000882208 557853270 /nfs/dbraw/zinc/85/32/70/557853270.db2.gz SLUNSPUKKQZARR-UHFFFAOYSA-N 0 0 433.493 3.565 50 0 IHAARN CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000000886526 557855548 /nfs/dbraw/zinc/85/55/48/557855548.db2.gz DDZNHRKTBNQKFB-UHFFFAOYSA-N 0 0 429.498 3.615 50 0 IHAARN COc1ccc(-c2noc(COC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)n2)cc1OC ZINC000018746845 557855765 /nfs/dbraw/zinc/85/57/65/557855765.db2.gz UDLWDKZXLKKOCH-IBGZPJMESA-N 0 0 449.463 3.761 50 0 IHAARN O=C(CCC(=O)N1CCN(Cc2ccc(Br)s2)CC1)c1cccs1 ZINC000018826474 557860712 /nfs/dbraw/zinc/86/07/12/557860712.db2.gz UVBGMXWYKUINIZ-UHFFFAOYSA-N 0 0 427.389 3.879 50 0 IHAARN CN(C)c1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)NC(C)(C)C)cc3s2)c1 ZINC000000937614 562919680 /nfs/dbraw/zinc/91/96/80/562919680.db2.gz OURXMEHVYKBFAF-UHFFFAOYSA-N 0 0 432.571 3.691 50 0 IHAARN CCOc1ccc(-n2c(=O)c3c(nc2SCc2ccc(C(=O)OC)o2)CCS3)cc1 ZINC000002459473 562928017 /nfs/dbraw/zinc/92/80/17/562928017.db2.gz UJMRSCBULSTLMM-UHFFFAOYSA-N 0 0 444.534 3.951 50 0 IHAARN O=C(NC1CCCC1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000002469077 562928090 /nfs/dbraw/zinc/92/80/90/562928090.db2.gz VRHJVDKHOWVPCI-INIZCTEOSA-N 0 0 443.388 3.589 50 0 IHAARN O=C(NC1CCCC1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000002469078 562928098 /nfs/dbraw/zinc/92/80/98/562928098.db2.gz VRHJVDKHOWVPCI-MRXNPFEDSA-N 0 0 443.388 3.589 50 0 IHAARN O=c1c2ccccc2nnn1CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000002661724 562929656 /nfs/dbraw/zinc/92/96/56/562929656.db2.gz JAJRLWYJKXCGAY-UHFFFAOYSA-N 0 0 432.534 3.910 50 0 IHAARN Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)n21 ZINC000002947890 562931019 /nfs/dbraw/zinc/93/10/19/562931019.db2.gz YLPWAELCMDZHCQ-SECBINFHSA-N 0 0 436.340 3.853 50 0 IHAARN Cc1ccc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003237826 562933167 /nfs/dbraw/zinc/93/31/67/562933167.db2.gz SFZOLJMMKXLBIZ-UHFFFAOYSA-N 0 0 429.538 3.528 50 0 IHAARN COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)oc1ccccc12 ZINC000003240355 562933209 /nfs/dbraw/zinc/93/32/09/562933209.db2.gz LMIPZILHOJAVAV-UHFFFAOYSA-N 0 0 432.432 3.506 50 0 IHAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000003356614 562934758 /nfs/dbraw/zinc/93/47/58/562934758.db2.gz LVPVZBKASZMZOY-UHFFFAOYSA-N 0 0 430.508 3.756 50 0 IHAARN CCCCN(C(=O)CSc1c(C)c(C)cc(C)c1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003411570 562935386 /nfs/dbraw/zinc/93/53/86/562935386.db2.gz GZCOJQQLBUFQPX-UHFFFAOYSA-N 0 0 446.617 3.688 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CC(=O)Nc1ccccc1Br ZINC000003435116 562935810 /nfs/dbraw/zinc/93/58/10/562935810.db2.gz CYDDWXLHEVNKJP-JTQLQIEISA-N 0 0 444.251 3.764 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630466 562936993 /nfs/dbraw/zinc/93/69/93/562936993.db2.gz DWBQWYOYMFYVRN-CUJSYCCXSA-N 0 0 426.513 3.538 50 0 IHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N(C)Cc4ccccc4)cc3[nH]c2=S)cc1 ZINC000003630345 562937034 /nfs/dbraw/zinc/93/70/34/562937034.db2.gz NPHOTJLIHSLGGB-UHFFFAOYSA-N 0 0 431.517 3.955 50 0 IHAARN C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1 ZINC000004003633 562940531 /nfs/dbraw/zinc/94/05/31/562940531.db2.gz HUYDUQHAOMXYAB-JPYJTQIMSA-N 0 0 439.519 3.782 50 0 IHAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)NCc1cccnc1 ZINC000004035061 562941090 /nfs/dbraw/zinc/94/10/90/562941090.db2.gz WYRKBWWCGRVROM-UHFFFAOYSA-N 0 0 427.526 3.631 50 0 IHAARN CCc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1 ZINC000006530892 562947199 /nfs/dbraw/zinc/94/71/99/562947199.db2.gz DHYKSQOZAKNFFG-UHFFFAOYSA-N 0 0 439.566 3.533 50 0 IHAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000006577929 562947961 /nfs/dbraw/zinc/94/79/61/562947961.db2.gz AGWZSKHLQFXAAY-UHFFFAOYSA-N 0 0 439.537 3.591 50 0 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/nfs/dbraw/zinc/95/19/19/562951919.db2.gz WCMIDJJZZSORDI-OAHLLOKOSA-N 0 0 432.973 3.939 50 0 IHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C(C)C)cc1 ZINC000008596980 562953882 /nfs/dbraw/zinc/95/38/82/562953882.db2.gz CGKUAZCQWGUOTP-UHFFFAOYSA-N 0 0 441.553 3.927 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2nsc3ccccc32)CC1 ZINC000008599171 562954640 /nfs/dbraw/zinc/95/46/40/562954640.db2.gz QYKAFJANIHZVPE-UHFFFAOYSA-N 0 0 437.521 3.964 50 0 IHAARN COc1ccc(CC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008601355 562955280 /nfs/dbraw/zinc/95/52/80/562955280.db2.gz FKUOGXBUMCFHAR-HXUWFJFHSA-N 0 0 433.526 3.770 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1 ZINC000008601468 562955352 /nfs/dbraw/zinc/95/53/52/562955352.db2.gz RBSKPVFWMXZGJE-UHFFFAOYSA-N 0 0 442.566 3.686 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000008601672 562955525 /nfs/dbraw/zinc/95/55/25/562955525.db2.gz ROFGKUHLAPWIOW-UHFFFAOYSA-N 0 0 445.526 3.930 50 0 IHAARN CCSc1nn(CC(=O)Nc2cccc(CC)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000008602970 562955886 /nfs/dbraw/zinc/95/58/86/562955886.db2.gz SRJDWFSLGAFQGA-UHFFFAOYSA-N 0 0 444.582 3.611 50 0 IHAARN CCCCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2=O)s1 ZINC000008606950 562957162 /nfs/dbraw/zinc/95/71/62/562957162.db2.gz XVSGCRMQPYHQFA-UHFFFAOYSA-N 0 0 442.541 3.835 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)CCCN2c3cc(-c4cccn4C)nn3CCC2=O)cc1 ZINC000008609617 562957924 /nfs/dbraw/zinc/95/79/24/562957924.db2.gz VUWLBXCXFYNACP-UHFFFAOYSA-N 0 0 449.555 3.509 50 0 IHAARN CCc1nn(CCCC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc3occc3n21 ZINC000008609873 562957989 /nfs/dbraw/zinc/95/79/89/562957989.db2.gz MVEHDIPCMGDXNV-UHFFFAOYSA-N 0 0 436.512 3.688 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1F ZINC000008610158 562958106 /nfs/dbraw/zinc/95/81/06/562958106.db2.gz FIOWERHXQQVUAU-UHFFFAOYSA-N 0 0 428.489 3.692 50 0 IHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000008612281 562959166 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O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCc1cccc(Br)c1 ZINC000009115016 562967096 /nfs/dbraw/zinc/96/70/96/562967096.db2.gz MOWSRLDFLABAGQ-UHFFFAOYSA-N 0 0 439.313 3.508 50 0 IHAARN COc1ccc(OC)c(CCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)c1 ZINC000009115143 562967098 /nfs/dbraw/zinc/96/70/98/562967098.db2.gz IXJDFHXUNVVNFD-UHFFFAOYSA-N 0 0 442.537 3.610 50 0 IHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000009139492 562967740 /nfs/dbraw/zinc/96/77/40/562967740.db2.gz CCKYAPJPGNITJK-UHFFFAOYSA-N 0 0 433.533 3.966 50 0 IHAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000009291305 562968988 /nfs/dbraw/zinc/96/89/88/562968988.db2.gz MSFNKZKSAFAYQP-GJZGRUSLSA-N 0 0 427.975 3.693 50 0 IHAARN CCOc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)cc1 ZINC000009407320 562970206 /nfs/dbraw/zinc/97/02/06/562970206.db2.gz FIQDKZWUJVDDDP-UHFFFAOYSA-N 0 0 439.556 3.529 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000009491474 562972095 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COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000009632674 562974497 /nfs/dbraw/zinc/97/44/97/562974497.db2.gz OTXCVGKZDOCBAO-UHFFFAOYSA-N 0 0 430.551 3.577 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000009673329 562975249 /nfs/dbraw/zinc/97/52/49/562975249.db2.gz KVBBYHPAYRZSOB-NHCUHLMSSA-N 0 0 440.590 3.832 50 0 IHAARN O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc2c(c1)OCO2 ZINC000009738777 562976290 /nfs/dbraw/zinc/97/62/90/562976290.db2.gz GPABSPWKPWRILU-UHFFFAOYSA-N 0 0 431.477 3.789 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009780559 562976829 /nfs/dbraw/zinc/97/68/29/562976829.db2.gz QNPJJMCBIHSOOW-UHFFFAOYSA-N 0 0 432.505 3.899 50 0 IHAARN CC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009779334 562976835 /nfs/dbraw/zinc/97/68/35/562976835.db2.gz ZSHNKRAPDWTQBN-UHFFFAOYSA-N 0 0 444.553 3.862 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000009781603 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IHAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943080 563019879 /nfs/dbraw/zinc/01/98/79/563019879.db2.gz PJFIRNYGRIFIOY-FQEVSTJZSA-N 0 0 431.496 3.797 50 0 IHAARN O=C(CSC(=S)N1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000039959680 563099264 /nfs/dbraw/zinc/09/92/64/563099264.db2.gz GCWSFTRKSPNNTC-KRWDZBQOSA-N 0 0 431.608 3.776 50 0 IHAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000033378840 568618989 /nfs/dbraw/zinc/61/89/89/568618989.db2.gz NOTKWUXACCRVJV-UHFFFAOYSA-N 0 0 434.515 3.794 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 ZINC000018410919 568624641 /nfs/dbraw/zinc/62/46/41/568624641.db2.gz HXGCFWPGADJFRW-MCMMXHMISA-N 0 0 425.872 3.731 50 0 IHAARN Cc1nc(N2CCN(C(=O)c3ccc(Br)s3)CC2)cc(C(F)(F)F)n1 ZINC000585149312 568627172 /nfs/dbraw/zinc/62/71/72/568627172.db2.gz JCRYIHWIYLQDQM-UHFFFAOYSA-N 0 0 435.269 3.590 50 0 IHAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000585150139 568627607 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444.720 3.540 50 0 IHAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000254478424 568644557 /nfs/dbraw/zinc/64/45/57/568644557.db2.gz FPDXMWHJGOCDQJ-QIGKIJSQSA-N 0 0 436.633 3.927 50 0 IHAARN CC(C)(C)c1cc(NC(=O)CSc2ccccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000025160173 568645582 /nfs/dbraw/zinc/64/55/82/568645582.db2.gz OFYCBCRZVHHKTG-ZDUSSCGKSA-N 0 0 442.006 3.924 50 0 IHAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)OCc3ccccc3)c(=O)c12 ZINC000000955587 568645877 /nfs/dbraw/zinc/64/58/77/568645877.db2.gz GABIVUMQYQEJKQ-UHFFFAOYSA-N 0 0 433.489 3.762 50 0 IHAARN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 ZINC000025265738 568649820 /nfs/dbraw/zinc/64/98/20/568649820.db2.gz VLDURPZQNAXGHE-NRFANRHFSA-N 0 0 443.547 3.830 50 0 IHAARN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000001015627 568652135 /nfs/dbraw/zinc/65/21/35/568652135.db2.gz SUHPNXACCYLFCY-UHFFFAOYSA-N 0 0 446.931 3.986 50 0 IHAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2ccccc2c1 ZINC000001096066 568658578 /nfs/dbraw/zinc/65/85/78/568658578.db2.gz JLPHIOGYUHJKJL-UHFFFAOYSA-N 0 0 433.274 3.966 50 0 IHAARN COc1ccc(CCNC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1OC ZINC000001098139 568658881 /nfs/dbraw/zinc/65/88/81/568658881.db2.gz LBUUNLRWNNQSGS-LJQANCHMSA-N 0 0 446.809 3.886 50 0 IHAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015175434 568731825 /nfs/dbraw/zinc/73/18/25/568731825.db2.gz BWKUMPYNAMVUIZ-VOTSOKGWSA-N 0 0 426.900 3.637 50 0 IHAARN C[C@@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000003228147 568743393 /nfs/dbraw/zinc/74/33/93/568743393.db2.gz GWNUMCUOLSFEOH-INIZCTEOSA-N 0 0 444.443 3.645 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O ZINC000003270134 568744628 /nfs/dbraw/zinc/74/46/28/568744628.db2.gz WTMUBYSKQURACI-OAQYLSRUSA-N 0 0 434.323 3.553 50 0 IHAARN COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043962050 568744646 /nfs/dbraw/zinc/74/46/46/568744646.db2.gz RYFAXFMXOMDYQD-UHFFFAOYSA-N 0 0 443.978 3.633 50 0 IHAARN O=S(=O)(c1cccc(-c2nnc(SC/C=C/c3ccccc3)o2)c1)N1CCOCC1 ZINC000003346684 568746650 /nfs/dbraw/zinc/74/66/50/568746650.db2.gz ZBFJHGKZAAXQPH-VMPITWQZSA-N 0 0 443.550 3.563 50 0 IHAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)s1 ZINC000003425832 568748942 /nfs/dbraw/zinc/74/89/42/568748942.db2.gz NPBQLBMSIGNINK-UHFFFAOYSA-N 0 0 426.869 3.858 50 0 IHAARN CC(=O)c1sc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc(=O)c2c1C ZINC000003448998 568749545 /nfs/dbraw/zinc/74/95/45/568749545.db2.gz YATXNFLOZDLXEU-UHFFFAOYSA-N 0 0 442.478 3.567 50 0 IHAARN COCCn1c(SCc2ccc(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3 ZINC000003457009 568749882 /nfs/dbraw/zinc/74/98/82/568749882.db2.gz ZFVMPJGQHQLOSZ-UHFFFAOYSA-N 0 0 434.539 3.655 50 0 IHAARN CSc1cccc(NC(=O)COC(=O)c2ccccc2I)c1 ZINC000003567354 568750711 /nfs/dbraw/zinc/75/07/11/568750711.db2.gz VAJPHMNJGGRMSH-UHFFFAOYSA-N 0 0 427.263 3.809 50 0 IHAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 ZINC000003606812 568751273 /nfs/dbraw/zinc/75/12/73/568751273.db2.gz RKJNEQYVQKRXFS-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN COc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000003654305 568752945 /nfs/dbraw/zinc/75/29/45/568752945.db2.gz PNEFIWVNMPKWBS-UHFFFAOYSA-N 0 0 441.486 3.899 50 0 IHAARN CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000003765128 568754433 /nfs/dbraw/zinc/75/44/33/568754433.db2.gz ARHSAMZKKXPMIN-QHCPKHFHSA-N 0 0 429.520 3.805 50 0 IHAARN c1ccc(CC2CCN(c3nc4nonc4nc3Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000003771946 568754608 /nfs/dbraw/zinc/75/46/08/568754608.db2.gz DERDIINQSQFMJW-UHFFFAOYSA-N 0 0 430.468 3.944 50 0 IHAARN O=C(Cc1cccc(F)c1F)N1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000299764479 568756276 /nfs/dbraw/zinc/75/62/76/568756276.db2.gz HIYWADNMCHSNKL-UHFFFAOYSA-N 0 0 426.385 3.787 50 0 IHAARN COc1cc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc(OC)c1O ZINC000299774798 568756813 /nfs/dbraw/zinc/75/68/13/568756813.db2.gz HWTOYKOABYFOIZ-MOPGFXCFSA-N 0 0 448.560 3.808 50 0 IHAARN COc1ccc(CCNc2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cn2)cc1 ZINC000073658904 568758326 /nfs/dbraw/zinc/75/83/26/568758326.db2.gz NOSYMUMYDSINEJ-UHFFFAOYSA-N 0 0 428.533 3.988 50 0 IHAARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004027456 568758764 /nfs/dbraw/zinc/75/87/64/568758764.db2.gz BNPNBAWUHPQBIR-NZOQOVMFSA-N 0 0 426.509 3.649 50 0 biogenic IHAARN COC(=O)c1cn([C@@H](Cc2nc3ccccc3[nH]2)c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587231 568760391 /nfs/dbraw/zinc/76/03/91/568760391.db2.gz DRQZOODYRSZDOW-IBGZPJMESA-N 0 0 447.882 3.825 50 0 IHAARN O=C(Nc1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015436025 568762130 /nfs/dbraw/zinc/76/21/30/568762130.db2.gz VSKMIRGIOZRKMA-UHFFFAOYSA-N 0 0 432.299 3.897 50 0 IHAARN Cc1ccccc1NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263616385 568776586 /nfs/dbraw/zinc/77/65/86/568776586.db2.gz IJZLYKYYONOXQP-QHCPKHFHSA-N 0 0 444.535 3.954 50 0 IHAARN C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3)C(=O)Nc1ccccc1 ZINC000001295228 568778615 /nfs/dbraw/zinc/77/86/15/568778615.db2.gz MAGQQRNLACSGMW-LBPRGKRZSA-N 0 0 429.567 3.966 50 0 IHAARN COc1ccc(-n2cnnc2SCC(=O)NCCSc2ccc(C)c(C)c2)cc1 ZINC000025754061 568779176 /nfs/dbraw/zinc/77/91/76/568779176.db2.gz JSISPFFIYALNIV-UHFFFAOYSA-N 0 0 428.583 3.893 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)s1 ZINC000025777865 568779703 /nfs/dbraw/zinc/77/97/03/568779703.db2.gz HSKNYVZKLBZKBO-UHFFFAOYSA-N 0 0 441.578 3.947 50 0 IHAARN O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000019172788 568782844 /nfs/dbraw/zinc/78/28/44/568782844.db2.gz ORAGLOOZRWYGIC-PPJWLVRDSA-N 0 0 427.479 3.888 50 0 IHAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000223231117 568786328 /nfs/dbraw/zinc/78/63/28/568786328.db2.gz WXIRBSCBESFBFJ-UHFFFAOYSA-N 0 0 431.489 3.808 50 0 IHAARN CCOc1ccc(-c2nc3s/c(=C/c4ccccc4Br)c(=O)n3n2)cc1 ZINC000016730801 568792516 /nfs/dbraw/zinc/79/25/16/568792516.db2.gz RCRBPRNWKYKVHB-LFIBNONCSA-N 0 0 428.311 3.527 50 0 IHAARN O=C(Cn1cc(I)cn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001432673 568795249 /nfs/dbraw/zinc/79/52/49/568795249.db2.gz KKKXMWYGNRPYFG-UHFFFAOYSA-N 0 0 429.567 3.799 50 0 IHAARN CCOc1ccc([C@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1OCC ZINC000012752725 568795660 /nfs/dbraw/zinc/79/56/60/568795660.db2.gz HTMVDEQBCOVMTJ-AWEZNQCLSA-N 0 0 449.345 3.854 50 0 IHAARN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCCO1 ZINC000084199865 568796020 /nfs/dbraw/zinc/79/60/20/568796020.db2.gz BDQWOFSIWSYJCH-SFHVURJKSA-N 0 0 428.489 3.624 50 0 IHAARN O=S(=O)(N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1 ZINC000084380048 568797631 /nfs/dbraw/zinc/79/76/31/568797631.db2.gz CHWLZFUKCAVWFU-CQSZACIVSA-N 0 0 439.864 3.556 50 0 IHAARN O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000084501677 568798198 /nfs/dbraw/zinc/79/81/98/568798198.db2.gz GAANIQQBIOEQIY-IBGZPJMESA-N 0 0 447.359 3.625 50 0 IHAARN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000084578840 568798838 /nfs/dbraw/zinc/79/88/38/568798838.db2.gz PIBWENBSGSXRQX-SFHVURJKSA-N 0 0 432.442 3.996 50 0 IHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000015584359 568799040 /nfs/dbraw/zinc/79/90/40/568799040.db2.gz JTAKMCCVLUGHHX-OAGGEKHMSA-N 0 0 448.972 3.729 50 0 IHAARN O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000084613410 568799117 /nfs/dbraw/zinc/79/91/17/568799117.db2.gz MFQMDRLAUXDXTR-MRXNPFEDSA-N 0 0 429.362 3.694 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000084774004 568801235 /nfs/dbraw/zinc/80/12/35/568801235.db2.gz LROAHZZMBHUNIR-QGZVFWFLSA-N 0 0 436.961 3.664 50 0 IHAARN CCOC(=O)[C@@H](CNC(=O)c1cnc(C)c(Br)c1Cl)Cc1ccccc1 ZINC000084791190 568801352 /nfs/dbraw/zinc/80/13/52/568801352.db2.gz KLIYOVOYRYZWIK-CQSZACIVSA-N 0 0 439.737 3.958 50 0 IHAARN COc1cc(CNc2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)ccc1OC(C)C ZINC000015669014 568801795 /nfs/dbraw/zinc/80/17/95/568801795.db2.gz JIZLJUGRWHGGMK-UHFFFAOYSA-N 0 0 433.512 3.725 50 0 IHAARN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(c2ccccc2F)CC1 ZINC000015681556 568806632 /nfs/dbraw/zinc/80/66/32/568806632.db2.gz CYKBRGSXRXSXTO-UHFFFAOYSA-N 0 0 433.462 3.904 50 0 IHAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1ccccc1 ZINC000015722237 568812133 /nfs/dbraw/zinc/81/21/33/568812133.db2.gz XKGHEBLFVAQNMR-UHFFFAOYSA-N 0 0 425.554 3.522 50 0 IHAARN CCN(Cc1ccccc1)C(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015726721 568812461 /nfs/dbraw/zinc/81/24/61/568812461.db2.gz RBXOWANTNWEBAG-HZPDHXFCSA-N 0 0 446.594 3.578 50 0 IHAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000015727960 568812825 /nfs/dbraw/zinc/81/28/25/568812825.db2.gz RUFLQBHJFCWDGW-UHFFFAOYSA-N 0 0 443.459 3.876 50 0 IHAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000015732589 568815401 /nfs/dbraw/zinc/81/54/01/568815401.db2.gz NJZOZALWOQRYEM-UHFFFAOYSA-N 0 0 435.509 3.523 50 0 IHAARN O=C(NCCc1nc2ccccc2[nH]1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734869 568816390 /nfs/dbraw/zinc/81/63/90/568816390.db2.gz YAHXYQRUIWKZSY-UHFFFAOYSA-N 0 0 432.553 3.657 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c1 ZINC000015735986 568817091 /nfs/dbraw/zinc/81/70/91/568817091.db2.gz KCLVLIRGDJBLSY-UHFFFAOYSA-N 0 0 447.539 3.953 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C ZINC000015768893 568822166 /nfs/dbraw/zinc/82/21/66/568822166.db2.gz LLHAZSXWFZPOLT-KRWDZBQOSA-N 0 0 440.565 3.794 50 0 IHAARN COc1ccc(CC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015780735 568825182 /nfs/dbraw/zinc/82/51/82/568825182.db2.gz HMWUGSATOPSXLM-OAQYLSRUSA-N 0 0 445.562 3.639 50 0 IHAARN Cc1[nH]c(C(=O)NCc2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000085598150 568827479 /nfs/dbraw/zinc/82/74/79/568827479.db2.gz IBVAJODRVLKRNN-UHFFFAOYSA-N 0 0 447.601 3.769 50 0 IHAARN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000014154027 568828756 /nfs/dbraw/zinc/82/87/56/568828756.db2.gz IQNUMQFMYQUUTJ-UHFFFAOYSA-N 0 0 439.537 3.517 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(OC)c1 ZINC000085649346 568830755 /nfs/dbraw/zinc/83/07/55/568830755.db2.gz SVUMEOXPBKYEKD-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(F)c(Cl)c4)CC3)ccc2=O)cc1 ZINC000085654104 568832452 /nfs/dbraw/zinc/83/24/52/568832452.db2.gz HSSFTUOBVUXBII-UHFFFAOYSA-N 0 0 440.906 3.686 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4cccc(Cl)c4)CC3)ccc2=O)cc1C ZINC000085653857 568832517 /nfs/dbraw/zinc/83/25/17/568832517.db2.gz WAKOBYGDSDTJAK-UHFFFAOYSA-N 0 0 436.943 3.855 50 0 IHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cc(Br)ccc3OC)N2C1=O ZINC000001019866 568838201 /nfs/dbraw/zinc/83/82/01/568838201.db2.gz GSDZNLHIGOLTGL-HIFRSBDPSA-N 0 0 439.331 3.669 50 0 IHAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104917067 568839156 /nfs/dbraw/zinc/83/91/56/568839156.db2.gz NHTMUPWSDQXLJY-TZIWHRDSSA-N 0 0 433.449 3.991 50 0 IHAARN COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)N1CCc2ccccc21 ZINC000015823983 568840394 /nfs/dbraw/zinc/84/03/94/568840394.db2.gz KVGHYBMJLYIVQT-UHFFFAOYSA-N 0 0 428.539 3.511 50 0 IHAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc(C)cc1 ZINC000015832880 568842240 /nfs/dbraw/zinc/84/22/40/568842240.db2.gz WLOQZSGRBMAWLU-OAQYLSRUSA-N 0 0 427.526 3.974 50 0 IHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OCc2ccc(F)cc2)c1 ZINC000025694990 568842755 /nfs/dbraw/zinc/84/27/55/568842755.db2.gz QSPDPPXVCQCDHT-UHFFFAOYSA-N 0 0 425.456 3.986 50 0 IHAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)C1=O ZINC000015843023 568844682 /nfs/dbraw/zinc/84/46/82/568844682.db2.gz WBAIBKJQXRRKQE-GOSISDBHSA-N 0 0 434.517 3.846 50 0 IHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000006144257 568846063 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CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000012940730 568869833 /nfs/dbraw/zinc/86/98/33/568869833.db2.gz HLWMBEXPVGQRTC-CYBMUJFWSA-N 0 0 446.385 3.673 50 0 IHAARN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000012942163 568870059 /nfs/dbraw/zinc/87/00/59/568870059.db2.gz VCZXQYSEHBMNNU-UHFFFAOYSA-N 0 0 449.619 3.894 50 0 IHAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCSc1ccc(Br)cc1 ZINC000012946792 568871225 /nfs/dbraw/zinc/87/12/25/568871225.db2.gz UKPGSOFQSUILHU-CQSZACIVSA-N 0 0 437.359 3.972 50 0 IHAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000012947428 568871464 /nfs/dbraw/zinc/87/14/64/568871464.db2.gz VVQUABZZHXFVNA-UHFFFAOYSA-N 0 0 446.956 3.989 50 0 IHAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000016227191 568873461 /nfs/dbraw/zinc/87/34/61/568873461.db2.gz ZROJTIFPBWVXCX-VWLOTQADSA-N 0 0 435.451 3.850 50 0 IHAARN Cc1cc(C)n([C@H](CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2cccs2)n1 ZINC000575610195 568878975 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CC(C)CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000013001515 568898865 /nfs/dbraw/zinc/89/88/65/568898865.db2.gz ACNQZFFYOBYCSN-AWEZNQCLSA-N 0 0 431.396 3.788 50 0 IHAARN Cc1cccc(C)c1-n1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc2c1=O ZINC000013007886 568899456 /nfs/dbraw/zinc/89/94/56/568899456.db2.gz YOYNNYOEVNUNKR-HNNXBMFYSA-N 0 0 447.568 3.689 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000013009562 568899964 /nfs/dbraw/zinc/89/99/64/568899964.db2.gz NUPUDJHLIOSETP-UHFFFAOYSA-N 0 0 434.468 3.759 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(I)cc1 ZINC000013012080 568901064 /nfs/dbraw/zinc/90/10/64/568901064.db2.gz ZQKYUQZEIMRRHG-ZDUSSCGKSA-N 0 0 432.265 3.705 50 0 IHAARN CC[C@H](C)NC(=O)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccco1 ZINC000013015744 568901584 /nfs/dbraw/zinc/90/15/84/568901584.db2.gz DKZSCZZLERAGOG-CCRNYGKSSA-N 0 0 427.526 3.675 50 0 IHAARN COC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 ZINC000013022121 568902259 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O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1S(=O)(=O)c1ccccc1 ZINC000064558114 568932045 /nfs/dbraw/zinc/93/20/45/568932045.db2.gz BJRBPZDJDRTOMI-NRFANRHFSA-N 0 0 449.484 3.742 50 0 IHAARN Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)cc1 ZINC000064566023 568932792 /nfs/dbraw/zinc/93/27/92/568932792.db2.gz PDQJCMZOQKOKJN-UHFFFAOYSA-N 0 0 439.581 3.809 50 0 IHAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000064566139 568932969 /nfs/dbraw/zinc/93/29/69/568932969.db2.gz FRAUANZKZCPZDM-UHFFFAOYSA-N 0 0 435.434 3.543 50 0 IHAARN Cc1ccc(C(=O)N2CCc3c(c(-c4nc(Cc5ccccc5)no4)nn3C)C2)c(C)c1 ZINC000064566218 568933174 /nfs/dbraw/zinc/93/31/74/568933174.db2.gz QAYFSVZXTFOVAO-UHFFFAOYSA-N 0 0 427.508 3.876 50 0 IHAARN COc1ccccc1-n1ccn2c(SCC(=O)c3cccc(Cl)c3)nnc2c1=O ZINC000064593227 568935750 /nfs/dbraw/zinc/93/57/50/568935750.db2.gz QAFUUSSPMYYSCW-UHFFFAOYSA-N 0 0 426.885 3.517 50 0 IHAARN Cc1c(Cl)cccc1-n1ccn2c(SCC(=O)c3ccc(F)cc3)nnc2c1=O ZINC000064593727 568935990 /nfs/dbraw/zinc/93/59/90/568935990.db2.gz AXJITALEPHSWMT-UHFFFAOYSA-N 0 0 428.876 3.956 50 0 IHAARN COc1cccc(-n2ccn3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)c1 ZINC000064593638 568936022 /nfs/dbraw/zinc/93/60/22/568936022.db2.gz NPIWOOLPFNTBAZ-INIZCTEOSA-N 0 0 434.521 3.869 50 0 IHAARN Cc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2=O)cc1C ZINC000064593594 568936038 /nfs/dbraw/zinc/93/60/38/568936038.db2.gz FLCROIUTSIHBMP-UHFFFAOYSA-N 0 0 439.928 3.881 50 0 IHAARN COc1ccc2c(C)c(CCC(=O)NC(C)(C)C(=O)NCC3CCCCC3)c(=O)oc2c1 ZINC000089568293 568937798 /nfs/dbraw/zinc/93/77/98/568937798.db2.gz JKUDUWISIBOWTL-UHFFFAOYSA-N 0 0 442.556 3.634 50 0 IHAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)N3CCc4ccccc43)n2)cc1 ZINC000064605004 568939085 /nfs/dbraw/zinc/93/90/85/568939085.db2.gz JBBMYLIZBMVBIT-INIZCTEOSA-N 0 0 430.508 3.581 50 0 IHAARN O=S(=O)(NCc1cccn1Cc1ccccc1F)c1ccc(Br)s1 ZINC000064665079 568942662 /nfs/dbraw/zinc/94/26/62/568942662.db2.gz ZVCSUGPNEDVESK-UHFFFAOYSA-N 0 0 429.336 3.978 50 0 IHAARN Cc1nc(SCc2ccc(C(=O)NCc3ccco3)cc2)nc(N2CCOCC2)c1C ZINC000036064071 568944758 /nfs/dbraw/zinc/94/47/58/568944758.db2.gz CRFURJJOJDUFMI-UHFFFAOYSA-N 0 0 438.553 3.745 50 0 IHAARN O=C(c1nc(-c2ccc(N3CCOCC3)cc2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000064746469 568949550 /nfs/dbraw/zinc/94/95/50/568949550.db2.gz HIZUAYIWBNNGEI-UHFFFAOYSA-N 0 0 432.524 3.668 50 0 IHAARN O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn21)Nc1ccc2c(c1)OCCO2 ZINC000064759266 568951774 /nfs/dbraw/zinc/95/17/74/568951774.db2.gz VUUSYCDOKCACGB-UHFFFAOYSA-N 0 0 433.443 3.747 50 0 IHAARN Cc1csc2nc(COc3ccccc3NC(=O)COc3ccc(C)cc3)cc(=O)n12 ZINC000064775669 568954715 /nfs/dbraw/zinc/95/47/15/568954715.db2.gz KXDRQTSSWRUOGV-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN O=S(=O)(c1ccc(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000036115792 568955605 /nfs/dbraw/zinc/95/56/05/568955605.db2.gz ORWRDIRIKRHISH-QPJJXVBHSA-N 0 0 427.389 3.530 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000036118427 568955959 /nfs/dbraw/zinc/95/59/59/568955959.db2.gz KBEZJIGBJXVAFV-ZMPRRUGASA-N 0 0 438.547 3.943 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120763 568957453 /nfs/dbraw/zinc/95/74/53/568957453.db2.gz CUUXQHKEGAIXBW-FQEVSTJZSA-N 0 0 448.560 3.523 50 0 IHAARN CN(C(=O)CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)C1CCCCC1 ZINC000064792613 568959425 /nfs/dbraw/zinc/95/94/25/568959425.db2.gz BKVIMLSJNGBJFB-QHCPKHFHSA-N 0 0 428.540 3.915 50 0 IHAARN COc1cccc(NC(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)c1 ZINC000064792499 568959428 /nfs/dbraw/zinc/95/94/28/568959428.db2.gz XQUWCVXYLVUIKF-QHCPKHFHSA-N 0 0 438.491 3.771 50 0 IHAARN O=C(CN1c2nnnn2[C@@H](c2ccc(Cl)cc2)C=C1c1ccccc1)Nc1nccs1 ZINC000064793756 568959745 /nfs/dbraw/zinc/95/97/45/568959745.db2.gz UFUVDHMVPRAJAK-GOSISDBHSA-N 0 0 449.927 3.872 50 0 IHAARN CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146401 568962741 /nfs/dbraw/zinc/96/27/41/568962741.db2.gz JQEZIMAUEPLQFF-GOTSBHOMSA-N 0 0 432.511 3.994 50 0 IHAARN O=C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)NCc1ccccc1Cl ZINC000064814480 568964010 /nfs/dbraw/zinc/96/40/10/568964010.db2.gz UKEDGQRMYMFKKK-UHFFFAOYSA-N 0 0 425.794 3.796 50 0 IHAARN O=C(NCCc1ccccc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819175 568965977 /nfs/dbraw/zinc/96/59/77/568965977.db2.gz CWYPAUXZAWFTRU-UHFFFAOYSA-N 0 0 429.446 3.723 50 0 IHAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCC1)C(=O)N2Cc1ccccc1F ZINC000036165886 568968335 /nfs/dbraw/zinc/96/83/35/568968335.db2.gz VLCPNSLBAWCDPU-HSZRJFAPSA-N 0 0 426.513 3.909 50 0 IHAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000064835600 568968869 /nfs/dbraw/zinc/96/88/69/568968869.db2.gz GTRKDWMTHYNTRC-UHFFFAOYSA-N 0 0 425.554 3.773 50 0 IHAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842342 568970770 /nfs/dbraw/zinc/97/07/70/568970770.db2.gz UDVCCGNFAUTBKN-IBGZPJMESA-N 0 0 448.479 3.967 50 0 IHAARN COc1ccc(-c2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c3noc(C)c32)cc1 ZINC000064842558 568970793 /nfs/dbraw/zinc/97/07/93/568970793.db2.gz AZOGTDVCIYRZES-UHFFFAOYSA-N 0 0 442.834 3.800 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036208450 568973417 /nfs/dbraw/zinc/97/34/17/568973417.db2.gz DWDGXKCNGANBFV-HRAATJIYSA-N 0 0 433.568 3.514 50 0 IHAARN Cc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)NCC(C)C)CC2)c1 ZINC000036208614 568973600 /nfs/dbraw/zinc/97/36/00/568973600.db2.gz AHVPMKNEHWNOOK-XMMPIXPASA-N 0 0 449.595 3.726 50 0 IHAARN CC(C)CC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000036209060 568973613 /nfs/dbraw/zinc/97/36/13/568973613.db2.gz GIDBHNHCYHJXNJ-LAUBAEHRSA-N 0 0 433.618 3.532 50 0 IHAARN C[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036209130 568973616 /nfs/dbraw/zinc/97/36/16/568973616.db2.gz XOIMUCBQFOWVDQ-UTKZUKDTSA-N 0 0 445.629 3.676 50 0 IHAARN COc1ccc(CNC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867131 568975009 /nfs/dbraw/zinc/97/50/09/568975009.db2.gz NWBVGBOHRQGATG-UHFFFAOYSA-N 0 0 442.537 3.756 50 0 IHAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036210795 568975278 /nfs/dbraw/zinc/97/52/78/568975278.db2.gz QVAUWRPWUXQPKW-HYBUGGRVSA-N 0 0 449.595 3.807 50 0 IHAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2N1 ZINC000064869290 568975686 /nfs/dbraw/zinc/97/56/86/568975686.db2.gz DIZLRAWLKUTELQ-UHFFFAOYSA-N 0 0 427.888 3.883 50 0 IHAARN COC(=O)CC1=CC(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2cc(C)c(C)cc2N1 ZINC000064869426 568975955 /nfs/dbraw/zinc/97/59/55/568975955.db2.gz KIWNYJOWZQGACT-IBGZPJMESA-N 0 0 449.551 3.646 50 0 IHAARN CCOc1ccc(NC(=O)CN2c3cc(C)c(C)cc3NC(CC(=O)OC)=CC2=O)cc1 ZINC000064869407 568976044 /nfs/dbraw/zinc/97/60/44/568976044.db2.gz ZCWMLUXBBNMRQM-UHFFFAOYSA-N 0 0 437.496 3.546 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036212331 568976234 /nfs/dbraw/zinc/97/62/34/568976234.db2.gz CXDAGROAFRRLPC-NRFANRHFSA-N 0 0 441.597 3.576 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036212833 568976679 /nfs/dbraw/zinc/97/66/79/568976679.db2.gz OICRJAPXRHCRDF-DEOSSOPVSA-N 0 0 449.595 3.823 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000036213097 568976777 /nfs/dbraw/zinc/97/67/77/568976777.db2.gz GDLJJZWUIYCYDN-UWJYYQICSA-N 0 0 441.597 3.622 50 0 IHAARN CCc1nc2ccccc2c(=O)n1Cc1noc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000064867552 568977133 /nfs/dbraw/zinc/97/71/33/568977133.db2.gz IQSAZKJVCYLZGI-QGZVFWFLSA-N 0 0 443.507 3.528 50 0 IHAARN CCc1nnc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n12 ZINC000064871596 568977767 /nfs/dbraw/zinc/97/77/67/568977767.db2.gz ZPSMLQRAXUEZAK-UHFFFAOYSA-N 0 0 449.820 3.918 50 0 IHAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000006766296 568978762 /nfs/dbraw/zinc/97/87/62/568978762.db2.gz LBDJTYRQWMRNLB-HXUWFJFHSA-N 0 0 426.586 3.840 50 0 IHAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036252342 568984035 /nfs/dbraw/zinc/98/40/35/568984035.db2.gz KHDXUUJIHNRFBP-VWNXMTODSA-N 0 0 435.568 3.790 50 0 IHAARN O=C(NCc1ccc(F)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036253242 568984224 /nfs/dbraw/zinc/98/42/24/568984224.db2.gz CGAXAANTWISHQP-HSZRJFAPSA-N 0 0 441.522 3.598 50 0 IHAARN O=C(NCCc1ccccc1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252971 568984341 /nfs/dbraw/zinc/98/43/41/568984341.db2.gz DJHLMXSYGZWXMX-DEOSSOPVSA-N 0 0 437.559 3.501 50 0 IHAARN O=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036254838 568984815 /nfs/dbraw/zinc/98/48/15/568984815.db2.gz VINQTVTZJYBOFP-HSZRJFAPSA-N 0 0 441.522 3.598 50 0 IHAARN CCc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)ccc2=O)cc1 ZINC000064928332 568987407 /nfs/dbraw/zinc/98/74/07/568987407.db2.gz AFAPNQRVNDFTSK-HSZRJFAPSA-N 0 0 444.579 3.760 50 0 IHAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000064928377 568987627 /nfs/dbraw/zinc/98/76/27/568987627.db2.gz PEVWDIVQZKRXDE-OAHLLOKOSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928513 568987676 /nfs/dbraw/zinc/98/76/76/568987676.db2.gz UORHYXWFNUPIPM-QGZVFWFLSA-N 0 0 440.906 3.558 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930013 568988480 /nfs/dbraw/zinc/98/84/80/568988480.db2.gz OXZOOLQLNZXRFO-KRWDZBQOSA-N 0 0 426.473 3.915 50 0 IHAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O ZINC000064942377 568991278 /nfs/dbraw/zinc/99/12/78/568991278.db2.gz YYEIRFUZNGABIN-UHFFFAOYSA-N 0 0 436.537 3.747 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064941682 568991319 /nfs/dbraw/zinc/99/13/19/568991319.db2.gz ZUIAIHIUIXVGGV-QGZVFWFLSA-N 0 0 446.529 3.764 50 0 IHAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1OC ZINC000064942664 568992258 /nfs/dbraw/zinc/99/22/58/568992258.db2.gz WYFNYXZJUNBPHQ-UHFFFAOYSA-N 0 0 432.885 3.837 50 0 IHAARN O=C(NCCc1cccs1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681230 568992759 /nfs/dbraw/zinc/99/27/59/568992759.db2.gz PHGFSPGRYPBWEN-UHFFFAOYSA-N 0 0 446.507 3.871 50 0 IHAARN COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c1 ZINC000064944254 568993201 /nfs/dbraw/zinc/99/32/01/568993201.db2.gz YSSLNYUOIKAMEB-UHFFFAOYSA-N 0 0 443.598 3.884 50 0 IHAARN CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)NCc3ccco3)c2s1 ZINC000064944501 568993464 /nfs/dbraw/zinc/99/34/64/568993464.db2.gz YQHMMQOZIJNXNE-UHFFFAOYSA-N 0 0 425.539 3.724 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1F ZINC000064945205 568993467 /nfs/dbraw/zinc/99/34/67/568993467.db2.gz YGCMWJGMFYUALJ-UHFFFAOYSA-N 0 0 426.473 3.996 50 0 IHAARN C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)Nc5ccc(F)c(Cl)c5)nc4c23)C1 ZINC000064945943 568994093 /nfs/dbraw/zinc/99/40/93/568994093.db2.gz ZBAWVFIKNLRFFD-JTQLQIEISA-N 0 0 445.907 3.662 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1C ZINC000064950634 568995629 /nfs/dbraw/zinc/99/56/29/568995629.db2.gz XFQYFHIBUHVDSX-UHFFFAOYSA-N 0 0 445.560 3.533 50 0 IHAARN Cc1ccccc1C(=O)N1CCN([C@H](C(=O)Nc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000036311944 568997323 /nfs/dbraw/zinc/99/73/23/568997323.db2.gz ICCKDBPGORNXTL-DEOSSOPVSA-N 0 0 449.551 3.679 50 0 IHAARN O=C(Nc1cccc(F)c1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311885 568997393 /nfs/dbraw/zinc/99/73/93/568997393.db2.gz UCPFYMJAKQLOGM-JOCHJYFZSA-N 0 0 427.495 3.920 50 0 IHAARN Cc1cccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(C)(C)C)ccc4o3)CC2)c1 ZINC000064957226 568999448 /nfs/dbraw/zinc/99/94/48/568999448.db2.gz DQSPFBNTQUKGSB-UHFFFAOYSA-N 0 0 427.570 3.940 50 0 IHAARN CC(C)(C)c1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2c1 ZINC000064957213 568999477 /nfs/dbraw/zinc/99/94/77/568999477.db2.gz XFNXSMBXXSXSGT-UHFFFAOYSA-N 0 0 431.533 3.771 50 0 IHAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959194 568999838 /nfs/dbraw/zinc/99/98/38/568999838.db2.gz PXVVHUKMNDDZDW-INIZCTEOSA-N 0 0 432.476 3.866 50 0 IHAARN Cc1cccc(CN2CCCn3nc(C(=O)N[C@@H](C)CCc4ccccc4)cc3C2=O)c1 ZINC000064959746 569000020 /nfs/dbraw/zinc/00/00/20/569000020.db2.gz JMYRBRLTYRPMDT-FQEVSTJZSA-N 0 0 430.552 3.989 50 0 IHAARN CN(Cc1ccccc1)C(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000064971515 569076768 /nfs/dbraw/zinc/07/67/68/569076768.db2.gz IXHNTMBTLIRYCD-UHFFFAOYSA-N 0 0 446.482 3.869 50 0 IHAARN CCOc1cc(C(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc(OCC)c1OCC ZINC000064977992 569077757 /nfs/dbraw/zinc/07/77/57/569077757.db2.gz BZEWXPKPNWZZMX-UHFFFAOYSA-N 0 0 426.513 3.722 50 0 IHAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000036342225 569079929 /nfs/dbraw/zinc/07/99/29/569079929.db2.gz WMLMNIVHGRWEHE-JOCHJYFZSA-N 0 0 438.959 3.523 50 0 IHAARN CCC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000064986196 569081904 /nfs/dbraw/zinc/08/19/04/569081904.db2.gz KEQTXUYEFOUTME-QRWLVFNGSA-N 0 0 436.961 3.910 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 ZINC000064985611 569081981 /nfs/dbraw/zinc/08/19/81/569081981.db2.gz RGSMJYKRVTWYJP-NRFANRHFSA-N 0 0 430.570 3.857 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985653 569082012 /nfs/dbraw/zinc/08/20/12/569082012.db2.gz ZQUFPWVNNGDUSP-FQEVSTJZSA-N 0 0 428.897 3.935 50 0 IHAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCCC3)Oc3ccc(C)cc32)cc1 ZINC000064985780 569082083 /nfs/dbraw/zinc/08/20/83/569082083.db2.gz QIMJNAQZEKPVAI-QFIPXVFZSA-N 0 0 428.554 3.709 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(C)cc3)Oc3ccccc32)cc1 ZINC000064986230 569082375 /nfs/dbraw/zinc/08/23/75/569082375.db2.gz COXGNOSFZRBOTD-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 ZINC000064986226 569082376 /nfs/dbraw/zinc/08/23/76/569082376.db2.gz GDMRKYUHYABUQW-QFIPXVFZSA-N 0 0 438.505 3.599 50 0 IHAARN CC1(C)CC(=O)c2cnc3c(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cnn3c2C1 ZINC000064987397 569082439 /nfs/dbraw/zinc/08/24/39/569082439.db2.gz LEKHTCJWQZDUBJ-UHFFFAOYSA-N 0 0 437.931 3.500 50 0 IHAARN COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)c1 ZINC000064988879 569082932 /nfs/dbraw/zinc/08/29/32/569082932.db2.gz DSJGVLFUIZZIEB-UHFFFAOYSA-N 0 0 436.556 3.615 50 0 IHAARN O=C([O-])[C@@H](c1c[nH]c2cc(CO)ccc21)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000036353596 569084094 /nfs/dbraw/zinc/08/40/94/569084094.db2.gz QJSDHHPRZJFUDN-OAQYLSRUSA-N 0 0 448.350 3.911 50 0 IHAARN CSc1cccc(NC(=O)NCc2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064991519 569084567 /nfs/dbraw/zinc/08/45/67/569084567.db2.gz RHMXIHRMCPNMRY-UHFFFAOYSA-N 0 0 443.510 3.563 50 0 IHAARN CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3OCC)no2)c1=O ZINC000064998973 569085660 /nfs/dbraw/zinc/08/56/60/569085660.db2.gz BYVKTCTVXLYWJW-UHFFFAOYSA-N 0 0 434.496 3.850 50 0 IHAARN CCOC(=O)N1CCN(C(=O)c2ccc(COc3ccc(OC(F)(F)F)cc3)o2)CC1 ZINC000036360481 569086381 /nfs/dbraw/zinc/08/63/81/569086381.db2.gz FYSXKNJQWIRLBG-UHFFFAOYSA-N 0 0 442.390 3.672 50 0 IHAARN COc1cccc(NC(=O)N2CCN(c3cc(-c4ccc(OC)c(OC)c4)ncn3)CC2)c1 ZINC000065007941 569087402 /nfs/dbraw/zinc/08/74/02/569087402.db2.gz QSWBHCQSGKOSNO-UHFFFAOYSA-N 0 0 449.511 3.524 50 0 IHAARN COCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006994 569087517 /nfs/dbraw/zinc/08/75/17/569087517.db2.gz QTUCOGBWZUYJAB-AWEZNQCLSA-N 0 0 433.549 3.509 50 0 IHAARN COCCNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000065008924 569087866 /nfs/dbraw/zinc/08/78/66/569087866.db2.gz SLLKIZPUWMPUHQ-UHFFFAOYSA-N 0 0 425.963 3.702 50 0 IHAARN Cc1c(S(=O)(=O)N2CCOCC2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008941 569087909 /nfs/dbraw/zinc/08/79/09/569087909.db2.gz PVZAOMFHPNFWPF-UHFFFAOYSA-N 0 0 437.974 3.798 50 0 IHAARN CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000036370445 569088726 /nfs/dbraw/zinc/08/87/26/569088726.db2.gz WRSLWJOBTJUQPZ-PKOBYXMFSA-N 0 0 442.585 3.986 50 0 IHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)c(OC)c1 ZINC000065023753 569089431 /nfs/dbraw/zinc/08/94/31/569089431.db2.gz WQNJNZSREGLTLL-FQEVSTJZSA-N 0 0 432.524 3.694 50 0 IHAARN O=C(Nc1ccc(C2(C(=O)N3CCN(c4ccccn4)CC3)CCCCC2)cc1)C1CC1 ZINC000065027475 569090257 /nfs/dbraw/zinc/09/02/57/569090257.db2.gz LXJOJXSRJMUMMP-UHFFFAOYSA-N 0 0 432.568 3.981 50 0 IHAARN Cc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1F ZINC000065025849 569090846 /nfs/dbraw/zinc/09/08/46/569090846.db2.gz QWWPBLHDVPTGHW-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)c1 ZINC000065034543 569092107 /nfs/dbraw/zinc/09/21/07/569092107.db2.gz LYQZWACUKXIBEC-UHFFFAOYSA-N 0 0 431.945 3.693 50 0 IHAARN Cc1ccc2ncn(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)c(=O)c2c1 ZINC000065034758 569092285 /nfs/dbraw/zinc/09/22/85/569092285.db2.gz PBSCZPKODRQPIN-UHFFFAOYSA-N 0 0 425.554 3.854 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)c(OC)c4)C3)n[nH]2)cc1 ZINC000169753917 569093740 /nfs/dbraw/zinc/09/37/40/569093740.db2.gz SUWBNGKZZUYRCY-GOSISDBHSA-N 0 0 436.512 3.501 50 0 IHAARN C[C@@H](NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1)c1ccccc1 ZINC000169760238 569094597 /nfs/dbraw/zinc/09/45/97/569094597.db2.gz QLBILUDAKAWVAN-GOSISDBHSA-N 0 0 426.520 3.914 50 0 IHAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)C(C)C)c1 ZINC000006873519 569094846 /nfs/dbraw/zinc/09/48/46/569094846.db2.gz XZKVTEHUHMQJDS-FQEVSTJZSA-N 0 0 426.513 3.890 50 0 IHAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000065060217 569095751 /nfs/dbraw/zinc/09/57/51/569095751.db2.gz UYHRGHNWHUPDMK-UHFFFAOYSA-N 0 0 447.557 3.777 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)cc1 ZINC000065059254 569095927 /nfs/dbraw/zinc/09/59/27/569095927.db2.gz XQZTYQMEPYJBAO-XMMPIXPASA-N 0 0 444.597 3.926 50 0 IHAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(C)cc3)C2)c1 ZINC000065059035 569095997 /nfs/dbraw/zinc/09/59/97/569095997.db2.gz UJFJQPWFLYAJHJ-XMMPIXPASA-N 0 0 425.529 3.963 50 0 IHAARN COc1cc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OC)c1 ZINC000065059083 569095999 /nfs/dbraw/zinc/09/59/99/569095999.db2.gz HBBJZMFZCYFDIX-DEOSSOPVSA-N 0 0 425.529 3.963 50 0 IHAARN CC(C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059702 569096160 /nfs/dbraw/zinc/09/61/60/569096160.db2.gz UMVPEIXDPJCSBA-UHFFFAOYSA-N 0 0 429.473 3.952 50 0 IHAARN Cc1nc(CSCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000036397209 569100124 /nfs/dbraw/zinc/10/01/24/569100124.db2.gz CPBKCVJZPUFEMP-SFHVURJKSA-N 0 0 426.007 3.528 50 0 IHAARN Cc1ccc(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1 ZINC000036390337 569096562 /nfs/dbraw/zinc/09/65/62/569096562.db2.gz MKEZJFDCWSYCRX-UHFFFAOYSA-N 0 0 425.598 3.795 50 0 IHAARN O=C(NCc1ccccc1Cn1cccn1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000036390836 569097409 /nfs/dbraw/zinc/09/74/09/569097409.db2.gz WNMRRNRGNJDLCE-UHFFFAOYSA-N 0 0 440.482 3.977 50 0 IHAARN Fc1ccc(OCc2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)cc1 ZINC000169769168 569098073 /nfs/dbraw/zinc/09/80/73/569098073.db2.gz PGPRRPUYAKPESX-QGZVFWFLSA-N 0 0 427.823 3.971 50 0 IHAARN COc1cc(OC)cc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1 ZINC000169769269 569098100 /nfs/dbraw/zinc/09/81/00/569098100.db2.gz CTZDDGZQRBJRBN-GOSISDBHSA-N 0 0 439.859 3.937 50 0 IHAARN Cc1cn2nc(C(=O)NCc3ccccc3C(F)(F)F)cc2c(N2CCSCC2)n1 ZINC000169768831 569098134 /nfs/dbraw/zinc/09/81/34/569098134.db2.gz PTQBLHPXHJICBA-UHFFFAOYSA-N 0 0 435.475 3.540 50 0 IHAARN CCOc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000036393460 569098395 /nfs/dbraw/zinc/09/83/95/569098395.db2.gz RCXSUPGZHNFEPG-ZDUSSCGKSA-N 0 0 425.934 3.984 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1 ZINC000036395513 569098838 /nfs/dbraw/zinc/09/88/38/569098838.db2.gz HLZFNFZMJVMSHV-SFHVURJKSA-N 0 0 425.492 3.911 50 0 IHAARN CCc1ccc(-n2c(CN3CCN(C(=O)NC4CCCC4)CC3)nc3cccnc32)cc1 ZINC000065075338 569099670 /nfs/dbraw/zinc/09/96/70/569099670.db2.gz DERVDVOFSXIPTD-UHFFFAOYSA-N 0 0 432.572 3.753 50 0 IHAARN Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1Cl ZINC000065075677 569099708 /nfs/dbraw/zinc/09/97/08/569099708.db2.gz LTISSNYWPGDEOR-UHFFFAOYSA-N 0 0 440.935 3.887 50 0 IHAARN O=C(NCCn1nnc2cc(C(=O)NC3CCCC3)ccc21)Nc1ccc(Cl)cc1 ZINC000065075675 569099753 /nfs/dbraw/zinc/09/97/53/569099753.db2.gz CQMBIFIPXLOPPH-UHFFFAOYSA-N 0 0 426.908 3.579 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077341 569100231 /nfs/dbraw/zinc/10/02/31/569100231.db2.gz RMLBOHMASAJEHS-AWEZNQCLSA-N 0 0 448.566 3.711 50 0 IHAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000065077810 569100658 /nfs/dbraw/zinc/10/06/58/569100658.db2.gz MCNIOTMJIAUFNU-AWEZNQCLSA-N 0 0 432.567 3.874 50 0 IHAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)ccc2S1 ZINC000065078071 569100816 /nfs/dbraw/zinc/10/08/16/569100816.db2.gz JWQFUSREIZGFBU-LBPRGKRZSA-N 0 0 438.958 3.965 50 0 IHAARN Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4Cl)ccn3n2)c1 ZINC000169775791 569101874 /nfs/dbraw/zinc/10/18/74/569101874.db2.gz FDEKCPUPGZDAFL-UHFFFAOYSA-N 0 0 434.927 3.792 50 0 IHAARN O=C(c1cccc2[nH]ccc21)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169778075 569102612 /nfs/dbraw/zinc/10/26/12/569102612.db2.gz VDTUATBFRWUXNF-INIZCTEOSA-N 0 0 425.452 3.564 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065099794 569104813 /nfs/dbraw/zinc/10/48/13/569104813.db2.gz OBLVPUSDQZWOKJ-UHFFFAOYSA-N 0 0 446.414 3.680 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccc(C)cc3)n2C)cc1 ZINC000065099362 569105083 /nfs/dbraw/zinc/10/50/83/569105083.db2.gz LHGNKUNBLXMKKV-UHFFFAOYSA-N 0 0 448.552 3.930 50 0 IHAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065099779 569105304 /nfs/dbraw/zinc/10/53/04/569105304.db2.gz VCBOPMNXCITAGX-UHFFFAOYSA-N 0 0 446.536 3.692 50 0 IHAARN Cc1ccccc1CNC(=O)[C@H](C)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000006901536 569105729 /nfs/dbraw/zinc/10/57/29/569105729.db2.gz XLUDBKFGVRKUJV-SFHVURJKSA-N 0 0 425.554 3.612 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CCCC2)c1=O ZINC000065101515 569105808 /nfs/dbraw/zinc/10/58/08/569105808.db2.gz BQGVZLRBJFHLFB-UHFFFAOYSA-N 0 0 446.551 3.589 50 0 IHAARN COc1cccc(CC(=O)N2CCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)CC2)c1 ZINC000065111514 569105983 /nfs/dbraw/zinc/10/59/83/569105983.db2.gz QAMPAMNSQWJOSF-UHFFFAOYSA-N 0 0 434.496 3.652 50 0 IHAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)n2)cc1 ZINC000065111492 569106409 /nfs/dbraw/zinc/10/64/09/569106409.db2.gz FSAGVZLBZVACSA-UHFFFAOYSA-N 0 0 426.423 3.993 50 0 IHAARN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)NC2CCC(C)CC2)c1 ZINC000065116202 569107123 /nfs/dbraw/zinc/10/71/23/569107123.db2.gz LAZNOAXHHIAGNC-UHFFFAOYSA-N 0 0 435.546 3.728 50 0 IHAARN Cc1nc(-c2csc(S(=O)(=O)N3CCCC3)c2)sc1C(=O)N1CCCCC1 ZINC000065117110 569107491 /nfs/dbraw/zinc/10/74/91/569107491.db2.gz KWOBRNLIHFXHOC-UHFFFAOYSA-N 0 0 425.601 3.591 50 0 IHAARN COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)no2)c1 ZINC000065112195 569108010 /nfs/dbraw/zinc/10/80/10/569108010.db2.gz NBSADCHOUBXPAT-UHFFFAOYSA-N 0 0 441.509 3.516 50 0 IHAARN COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)n2)c1 ZINC000065129580 569108783 /nfs/dbraw/zinc/10/87/83/569108783.db2.gz RHBZJROVYKAFQO-UHFFFAOYSA-N 0 0 430.342 3.857 50 0 IHAARN Cc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)cc1F ZINC000065131256 569109378 /nfs/dbraw/zinc/10/93/78/569109378.db2.gz MQXKVEKPRPFAEX-UHFFFAOYSA-N 0 0 442.516 3.747 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O ZINC000065151065 569111649 /nfs/dbraw/zinc/11/16/49/569111649.db2.gz HNLORDWHLFWKCR-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN CN(C)c1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065154300 569112237 /nfs/dbraw/zinc/11/22/37/569112237.db2.gz DNSPCZUUTXCQHE-UHFFFAOYSA-N 0 0 429.480 3.634 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2[C@@](O)(c2ccc(C)cc2)C1=O ZINC000065155091 569112296 /nfs/dbraw/zinc/11/22/96/569112296.db2.gz SZTFBFSBOSULAJ-DEOSSOPVSA-N 0 0 436.895 3.878 50 0 IHAARN CCOc1ccccc1NC(=O)CN1c2ccccc2[C@@](O)(c2cccc(Cl)c2)C1=O ZINC000065155546 569112440 /nfs/dbraw/zinc/11/24/40/569112440.db2.gz HRFPUPCZCPCDII-DEOSSOPVSA-N 0 0 436.895 3.960 50 0 IHAARN COc1cccc(CNC(=O)[C@@H]2c3ccccc3CC(=O)N2Cc2ccccc2)c1OC ZINC000065170105 569112689 /nfs/dbraw/zinc/11/26/89/569112689.db2.gz GMXFZZDYEWNUIP-DEOSSOPVSA-N 0 0 430.504 3.646 50 0 IHAARN Cc1ccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)c3ncccc3S2(=O)=O)cc1 ZINC000065183475 569113984 /nfs/dbraw/zinc/11/39/84/569113984.db2.gz VYLNHNUNFSDIJQ-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)cc1 ZINC000065178631 569114498 /nfs/dbraw/zinc/11/44/98/569114498.db2.gz QRHBOEKCFZZETB-HXUWFJFHSA-N 0 0 435.568 3.920 50 0 IHAARN O=C(COc1ccc(F)cc1)N1CCC[C@H](COc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000065178884 569114581 /nfs/dbraw/zinc/11/45/81/569114581.db2.gz RNEDEQUSINKZGI-IBGZPJMESA-N 0 0 440.515 3.758 50 0 IHAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000065199044 569115054 /nfs/dbraw/zinc/11/50/54/569115054.db2.gz DGVQDEJTSNTJPV-UHFFFAOYSA-N 0 0 442.884 3.507 50 0 IHAARN Cc1nc2cc(N3C[C@H](C(=O)NCc4ccc(Br)cc4)CC3=O)ccc2o1 ZINC000065195796 569115560 /nfs/dbraw/zinc/11/55/60/569115560.db2.gz LFGAACDRYTYQAH-CQSZACIVSA-N 0 0 428.286 3.568 50 0 IHAARN O=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)[C@H]1COc2ccccc2O1 ZINC000065196008 569115617 /nfs/dbraw/zinc/11/56/17/569115617.db2.gz STPVDEFELPOKRI-OAHLLOKOSA-N 0 0 425.491 3.983 50 0 IHAARN Cn1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210849 569116349 /nfs/dbraw/zinc/11/63/49/569116349.db2.gz ZNYDRTVNJGBGJH-UHFFFAOYSA-N 0 0 430.552 3.672 50 0 IHAARN COc1cccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c1OC ZINC000065210042 569116542 /nfs/dbraw/zinc/11/65/42/569116542.db2.gz BBIZNRXBZMWCDP-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN CCc1nn2c(nc(-c3ccccc3)c2CNS(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000065217390 569117169 /nfs/dbraw/zinc/11/71/69/569117169.db2.gz KSZMWMRZOWQSFT-UHFFFAOYSA-N 0 0 430.530 3.946 50 0 IHAARN CCOC(=O)CC1(NC(=O)N2CCCn3nc(-c4ccncc4)cc3C2)CCCCC1 ZINC000065225543 569117884 /nfs/dbraw/zinc/11/78/84/569117884.db2.gz OTWAWHLUMQXGBH-UHFFFAOYSA-N 0 0 425.533 3.517 50 0 IHAARN COc1cccc(NC(=O)Cn2c(C)ncc(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000065232510 569119094 /nfs/dbraw/zinc/11/90/94/569119094.db2.gz AVYAMTQRLZMMPP-UHFFFAOYSA-N 0 0 432.505 3.990 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)ncc(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000065232513 569119123 /nfs/dbraw/zinc/11/91/23/569119123.db2.gz OZZCDSXVHNWROU-UHFFFAOYSA-N 0 0 432.505 3.990 50 0 IHAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)NCc1ccc(C)cc1)CC2 ZINC000065235514 569119197 /nfs/dbraw/zinc/11/91/97/569119197.db2.gz GERATYRFXPHLJG-UHFFFAOYSA-N 0 0 426.948 3.920 50 0 biogenic IHAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCCCC5)n4)ccn3n2)cc1 ZINC000065235815 569119372 /nfs/dbraw/zinc/11/93/72/569119372.db2.gz SHCCFAZKLFMFGF-UHFFFAOYSA-N 0 0 432.528 3.669 50 0 IHAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(C)cc5C)cc4c3=O)no2)cc1 ZINC000065235778 569119407 /nfs/dbraw/zinc/11/94/07/569119407.db2.gz MVARZDITHYDFCR-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN C=C1C(N2CCC(NC(=O)[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000065239248 569120206 /nfs/dbraw/zinc/12/02/06/569120206.db2.gz GIXLJXJNVUAVKI-INIZCTEOSA-N 0 0 431.602 3.910 50 0 IHAARN C=C1C(N2CCCN(C(=O)CC3CCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239498 569120625 /nfs/dbraw/zinc/12/06/25/569120625.db2.gz YRDMFDDUJCPCIM-UHFFFAOYSA-N 0 0 443.613 3.891 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000036594054 569121241 /nfs/dbraw/zinc/12/12/41/569121241.db2.gz HXWKSCDWFYEPNF-HRAATJIYSA-N 0 0 447.564 3.943 50 0 IHAARN CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000065242420 569121446 /nfs/dbraw/zinc/12/14/46/569121446.db2.gz RSWAFNYZROGYSQ-QGZVFWFLSA-N 0 0 427.549 3.951 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCCC5)o4)o3)CC2)c1 ZINC000065246488 569121843 /nfs/dbraw/zinc/12/18/43/569121843.db2.gz JTFFIFMMBSXOTM-UHFFFAOYSA-N 0 0 442.541 3.807 50 0 IHAARN O=C(Nc1ccc(Br)cn1)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000036615430 569122522 /nfs/dbraw/zinc/12/25/22/569122522.db2.gz HRFWBTWJZGAATA-ZDUSSCGKSA-N 0 0 425.080 3.738 50 0 IHAARN Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613331 569123808 /nfs/dbraw/zinc/12/38/08/569123808.db2.gz CPFWKTPGNNTCJK-UHFFFAOYSA-N 0 0 434.427 3.529 50 0 IHAARN O=C(Cc1ccc(Cl)cc1)N1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065258084 569124353 /nfs/dbraw/zinc/12/43/53/569124353.db2.gz CFRGCUJUTOPXTA-UHFFFAOYSA-N 0 0 437.931 3.944 50 0 IHAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)COc4coc(C)cc4=O)n3)c2c1 ZINC000524732841 569126882 /nfs/dbraw/zinc/12/68/82/569126882.db2.gz SPOKFNSFAGNKRY-UHFFFAOYSA-N 0 0 425.466 3.888 50 0 IHAARN COc1ccc(-c2cc3n(n2)CCCN(S(=O)(=O)c2ccccc2Cl)C3)cc1OC ZINC000065270351 569128020 /nfs/dbraw/zinc/12/80/20/569128020.db2.gz VUDUONRZVXOPBO-UHFFFAOYSA-N 0 0 447.944 3.815 50 0 IHAARN COc1ccc([C@@H](CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc32)cc1 ZINC000524735524 569128127 /nfs/dbraw/zinc/12/81/27/569128127.db2.gz HUMKLFGNQDBPJX-HXUWFJFHSA-N 0 0 431.492 3.500 50 0 IHAARN C=C1C(N2CCC(NC(=O)Nc3ccccc3F)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271819 569128613 /nfs/dbraw/zinc/12/86/13/569128613.db2.gz GGLXKBOWECVSJV-UHFFFAOYSA-N 0 0 442.516 3.585 50 0 IHAARN COCCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1 ZINC000065272057 569128902 /nfs/dbraw/zinc/12/89/02/569128902.db2.gz PUWCIROXAVVODP-UHFFFAOYSA-N 0 0 428.533 3.867 50 0 IHAARN CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)C3)CC1 ZINC000065272643 569129070 /nfs/dbraw/zinc/12/90/70/569129070.db2.gz TZDIRKYZRHUSAF-QGZVFWFLSA-N 0 0 440.565 3.770 50 0 IHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)c1 ZINC000065273588 569129732 /nfs/dbraw/zinc/12/97/32/569129732.db2.gz MFRKXUBCWAEETE-GOSISDBHSA-N 0 0 440.613 3.808 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000065291958 569130574 /nfs/dbraw/zinc/13/05/74/569130574.db2.gz WSGFMWWUVAHFGB-HXUWFJFHSA-N 0 0 428.504 3.843 50 0 IHAARN CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)c1 ZINC000036674892 569132274 /nfs/dbraw/zinc/13/22/74/569132274.db2.gz RMABCRQRUKJJGH-UHFFFAOYSA-N 0 0 445.610 3.915 50 0 IHAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccn4)s3)c2C)cc1 ZINC000065305022 569132918 /nfs/dbraw/zinc/13/29/18/569132918.db2.gz KPAOORQKVGHLKN-UHFFFAOYSA-N 0 0 434.525 3.731 50 0 IHAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)cc1 ZINC000065312404 569133769 /nfs/dbraw/zinc/13/37/69/569133769.db2.gz AJRPWFIAMCALJB-KRWDZBQOSA-N 0 0 427.936 3.703 50 0 IHAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)c4cccnc4)CC3)sc12 ZINC000065314709 569135639 /nfs/dbraw/zinc/13/56/39/569135639.db2.gz ILOGKRDUKVRIGX-UHFFFAOYSA-N 0 0 432.553 3.893 50 0 IHAARN Cc1ccc(-c2ncc3c(ncnc3SCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000065320930 569136376 /nfs/dbraw/zinc/13/63/76/569136376.db2.gz ZAQSOZXDDSHZBG-UHFFFAOYSA-N 0 0 445.504 3.532 50 0 IHAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F ZINC000065562560 569139276 /nfs/dbraw/zinc/13/92/76/569139276.db2.gz QASOAMNKNIBUBX-WBMJQRKESA-N 0 0 431.842 3.987 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000239611973 569139668 /nfs/dbraw/zinc/13/96/68/569139668.db2.gz FGKLNTDXZIIRQO-UHFFFAOYSA-N 0 0 437.443 3.589 50 0 IHAARN O=C(NCc1nnc(-c2ccccc2)[nH]1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000065589248 569139969 /nfs/dbraw/zinc/13/99/69/569139969.db2.gz QLRVZFFGLVRVKV-UHFFFAOYSA-N 0 0 425.514 3.510 50 0 IHAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3ccco3)cc2)co1 ZINC000240067751 569140592 /nfs/dbraw/zinc/14/05/92/569140592.db2.gz SAOBXMGXGPIXCC-FQEVSTJZSA-N 0 0 430.507 3.519 50 0 IHAARN Cc1cccc2c(=O)n(CCC(=O)NCc3cc4cc(Br)ccc4[nH]3)cnc12 ZINC000170596831 569141905 /nfs/dbraw/zinc/14/19/05/569141905.db2.gz QRBQPTQAFMYREZ-UHFFFAOYSA-N 0 0 439.313 3.655 50 0 IHAARN CCOC(=O)[C@@H](NC(=O)c1ccc(F)cc1F)c1c(C)nn(Cc2ccccc2)c1C ZINC000170597423 569142038 /nfs/dbraw/zinc/14/20/38/569142038.db2.gz WLWMXZMEUAELNP-NRFANRHFSA-N 0 0 427.451 3.861 50 0 IHAARN COc1cccc([C@H](NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)c2ccccn2)c1 ZINC000170598380 569142445 /nfs/dbraw/zinc/14/24/45/569142445.db2.gz PSMCQHYMRJHEAE-QFIPXVFZSA-N 0 0 445.548 3.852 50 0 IHAARN COc1ccc(Br)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000170601279 569143152 /nfs/dbraw/zinc/14/31/52/569143152.db2.gz CGKSMNLAOPQYHD-BLLLJJGKSA-N 0 0 427.339 3.976 50 0 IHAARN CCOC(=O)c1csc(CCNC(=O)c2cc3sc(N(CC)CC)nc3s2)n1 ZINC000170605393 569143713 /nfs/dbraw/zinc/14/37/13/569143713.db2.gz LFDIJDHQTGUPNN-UHFFFAOYSA-N 0 0 438.600 3.810 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCn2c(Cc3ccc(F)cc3)nc3ccccc32)C1 ZINC000037263826 569144078 /nfs/dbraw/zinc/14/40/78/569144078.db2.gz KVVJWMCCQJEVSH-LJQANCHMSA-N 0 0 437.515 3.958 50 0 IHAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)OC(C)(C)C)C1 ZINC000170607581 569144186 /nfs/dbraw/zinc/14/41/86/569144186.db2.gz GCUPJYBUWHDRGZ-CHWSQXEVSA-N 0 0 427.588 3.592 50 0 IHAARN Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c2ccc(Br)cc2n1 ZINC000170620686 569147917 /nfs/dbraw/zinc/14/79/17/569147917.db2.gz WUKXKPNHLNOJJN-UHFFFAOYSA-N 0 0 442.361 3.986 50 0 IHAARN CC(C)[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nc(C2CC2)no1 ZINC000170626267 569148648 /nfs/dbraw/zinc/14/86/48/569148648.db2.gz ICSPOGQOMFJUAM-INIZCTEOSA-N 0 0 431.290 3.678 50 0 IHAARN CCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)cc1 ZINC000009869854 569149360 /nfs/dbraw/zinc/14/93/60/569149360.db2.gz LPOLAICDTWRIOL-UHFFFAOYSA-N 0 0 425.514 3.693 50 0 IHAARN CCOc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1 ZINC000009883351 569149943 /nfs/dbraw/zinc/14/99/43/569149943.db2.gz LWDIYQXCMUCHTO-UHFFFAOYSA-N 0 0 441.402 3.925 50 0 IHAARN CCCCn1nnnc1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009909777 569150300 /nfs/dbraw/zinc/15/03/00/569150300.db2.gz DFTADENNAAZTCF-UHFFFAOYSA-N 0 0 435.513 3.742 50 0 IHAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000010025273 569151565 /nfs/dbraw/zinc/15/15/65/569151565.db2.gz AECXIYVMYPQEML-QFBILLFUSA-N 0 0 433.599 3.697 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010028517 569151790 /nfs/dbraw/zinc/15/17/90/569151790.db2.gz RFIFKUUCTYHGKY-UHFFFAOYSA-N 0 0 436.375 3.660 50 0 IHAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000010027622 569151794 /nfs/dbraw/zinc/15/17/94/569151794.db2.gz PPBRANSGAQEWGJ-UHFFFAOYSA-N 0 0 433.512 3.755 50 0 IHAARN Cc1ccnn1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000010029386 569151952 /nfs/dbraw/zinc/15/19/52/569151952.db2.gz PSJUHZGZFOUDJT-UHFFFAOYSA-N 0 0 438.553 3.998 50 0 IHAARN CCCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000010088220 569152705 /nfs/dbraw/zinc/15/27/05/569152705.db2.gz OHTISHAYVXCNRP-UHFFFAOYSA-N 0 0 435.347 3.598 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1 ZINC000010386055 569154510 /nfs/dbraw/zinc/15/45/10/569154510.db2.gz XZXWEYBZHORNGM-UHFFFAOYSA-N 0 0 440.956 3.736 50 0 IHAARN CCn1nc(C)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)c(OC)ccc2OC ZINC000013699903 569156661 /nfs/dbraw/zinc/15/66/61/569156661.db2.gz KIKHSSNITJGXIZ-AWEZNQCLSA-N 0 0 430.530 3.664 50 0 IHAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)[C@@H](C)Oc4ccccc4F)c3)cn2n1 ZINC000013710487 569156802 /nfs/dbraw/zinc/15/68/02/569156802.db2.gz WAFSCPHRMJNKTG-CQSZACIVSA-N 0 0 436.443 3.959 50 0 IHAARN C[C@H](Oc1ccc(F)cc1)C(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000013801631 569157098 /nfs/dbraw/zinc/15/70/98/569157098.db2.gz FUQOQZAOQZOXOY-HNNXBMFYSA-N 0 0 429.879 3.677 50 0 IHAARN CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014250445 569158422 /nfs/dbraw/zinc/15/84/22/569158422.db2.gz FXDUBHUJFLCXDB-UHFFFAOYSA-N 0 0 426.338 3.648 50 0 IHAARN O=C(Nc1nc2c(s1)CCCCC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014554349 569159303 /nfs/dbraw/zinc/15/93/03/569159303.db2.gz HWQVSDITKLBEQZ-UHFFFAOYSA-N 0 0 437.562 3.591 50 0 IHAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000014595130 569159355 /nfs/dbraw/zinc/15/93/55/569159355.db2.gz OVLSNBMIEWCUCP-MRXNPFEDSA-N 0 0 448.475 3.635 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccncc3Cl)CC2)c(Br)c1 ZINC000089610905 569160005 /nfs/dbraw/zinc/16/00/05/569160005.db2.gz NNPGNMHDRSVAHO-AWEZNQCLSA-N 0 0 437.769 3.955 50 0 IHAARN Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCN(c4nccn5cnnc45)C3)c(F)c2)cc1 ZINC000089641036 569160247 /nfs/dbraw/zinc/16/02/47/569160247.db2.gz VWRJBVGJMRUMQV-GOSISDBHSA-N 0 0 444.514 3.885 50 0 IHAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000089646710 569160354 /nfs/dbraw/zinc/16/03/54/569160354.db2.gz DYLUTVVBTSPPRQ-UHFFFAOYSA-N 0 0 426.448 3.830 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000089646978 569160478 /nfs/dbraw/zinc/16/04/78/569160478.db2.gz GZSZQXANMYFHPK-UHFFFAOYSA-N 0 0 428.963 3.624 50 0 IHAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000016842281 569163462 /nfs/dbraw/zinc/16/34/62/569163462.db2.gz QECXUVJSPPRBDI-UHFFFAOYSA-N 0 0 441.484 3.969 50 0 IHAARN Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccc[nH]c4=O)n3)nc21 ZINC000016851242 569165020 /nfs/dbraw/zinc/16/50/20/569165020.db2.gz LGWBZPAVNXDTBI-UHFFFAOYSA-N 0 0 439.522 3.573 50 0 IHAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[N@H+](Cc1ccco1)C1CCCC1)c2=O ZINC000016942376 569166836 /nfs/dbraw/zinc/16/68/36/569166836.db2.gz LNJRMDYAEXXLFW-UHFFFAOYSA-N 0 0 427.526 3.510 50 0 IHAARN COc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c(OC)c1 ZINC000016944555 569166922 /nfs/dbraw/zinc/16/69/22/569166922.db2.gz JSEXOEKALFYOPT-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN C[C@H](OC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)c1cccnc1 ZINC000089910065 569167462 /nfs/dbraw/zinc/16/74/62/569167462.db2.gz KAZYHXBWMUIHFW-LBPRGKRZSA-N 0 0 441.347 3.839 50 0 IHAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(Cl)c1)[nH]c2=O ZINC000016974301 569168674 /nfs/dbraw/zinc/16/86/74/569168674.db2.gz GGSFJXAHRQFNTB-UHFFFAOYSA-N 0 0 441.900 3.914 50 0 IHAARN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC(c1ccccc1)c1ccccc1 ZINC000016991497 569169540 /nfs/dbraw/zinc/16/95/40/569169540.db2.gz GRWPAAAAMZSZKU-UHFFFAOYSA-N 0 0 427.508 3.515 50 0 IHAARN COc1cc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc(OC)c1OC ZINC000017013200 569170757 /nfs/dbraw/zinc/17/07/57/569170757.db2.gz JSHUPYTYPHEWML-UHFFFAOYSA-N 0 0 437.500 3.873 50 0 IHAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2cccs2)cc1 ZINC000017043046 569171369 /nfs/dbraw/zinc/17/13/69/569171369.db2.gz SXQUPWHTHBJWCX-FQEVSTJZSA-N 0 0 448.610 3.527 50 0 IHAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N[C@H](C)c2ccccc2)cc1 ZINC000017051130 569171900 /nfs/dbraw/zinc/17/19/00/569171900.db2.gz ZCNQHQVMGBQEPP-CQSZACIVSA-N 0 0 436.580 3.861 50 0 IHAARN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1 ZINC000017112854 569174006 /nfs/dbraw/zinc/17/40/06/569174006.db2.gz UVQFDSAPQZMGNS-UHFFFAOYSA-N 0 0 448.610 3.699 50 0 IHAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000017135506 569174380 /nfs/dbraw/zinc/17/43/80/569174380.db2.gz BHVZQQAXOPZBSU-UHFFFAOYSA-N 0 0 442.562 3.937 50 0 IHAARN O=C(Nc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000017155820 569174989 /nfs/dbraw/zinc/17/49/89/569174989.db2.gz BKBBQHJOOPBKTP-UHFFFAOYSA-N 0 0 430.867 3.598 50 0 IHAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccc2c(c1)OCO2 ZINC000017155574 569175018 /nfs/dbraw/zinc/17/50/18/569175018.db2.gz SSDOGGTZTTXNPS-UHFFFAOYSA-N 0 0 429.885 3.636 50 0 IHAARN NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4cccc(Cl)c4)c3n2)CC1 ZINC000017170648 569175219 /nfs/dbraw/zinc/17/52/19/569175219.db2.gz SMIVTLQMUHMAJH-UHFFFAOYSA-N 0 0 438.915 3.607 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1ccc(F)cc1 ZINC000017189926 569175622 /nfs/dbraw/zinc/17/56/22/569175622.db2.gz DKOVVFCNRZQGJV-UHFFFAOYSA-N 0 0 427.526 3.810 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)N1CCCCCC1 ZINC000017178999 569175636 /nfs/dbraw/zinc/17/56/36/569175636.db2.gz WWSMQMZSRTZYCC-UHFFFAOYSA-N 0 0 429.611 3.629 50 0 IHAARN O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000017191262 569175748 /nfs/dbraw/zinc/17/57/48/569175748.db2.gz VUCUNLRIZCUHPF-UHFFFAOYSA-N 0 0 446.525 3.768 50 0 IHAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1Cl ZINC000001051385 569176468 /nfs/dbraw/zinc/17/64/68/569176468.db2.gz MKIBAZIWFDKHPF-UHFFFAOYSA-N 0 0 440.949 3.609 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001079037 569176716 /nfs/dbraw/zinc/17/67/16/569176716.db2.gz RDEAFSMGJPWJNV-INIZCTEOSA-N 0 0 428.485 3.710 50 0 IHAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170636967 569178304 /nfs/dbraw/zinc/17/83/04/569178304.db2.gz TVVXSNKXYHGULA-AQNXPRMDSA-N 0 0 432.517 3.512 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2sc(C)c(C)c2c1=O ZINC000002351861 569180793 /nfs/dbraw/zinc/18/07/93/569180793.db2.gz XLFQPWPJXQGIGI-UHFFFAOYSA-N 0 0 431.539 3.612 50 0 IHAARN CCCc1cc2c(cc1OS(C)(=O)=O)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002107428 569181253 /nfs/dbraw/zinc/18/12/53/569181253.db2.gz ZQEJJFCCIIFVLL-UHFFFAOYSA-N 0 0 430.478 3.912 50 0 biogenic IHAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002109682 569181819 /nfs/dbraw/zinc/18/18/19/569181819.db2.gz IWUZQZGLZRNHSL-OYLFLEFRSA-N 0 0 445.943 3.858 50 0 biogenic IHAARN Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002111936 569182100 /nfs/dbraw/zinc/18/21/00/569182100.db2.gz SCAYQZCNHCNDIC-CRICUBBOSA-N 0 0 425.525 3.513 50 0 biogenic IHAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000002116481 569182467 /nfs/dbraw/zinc/18/24/67/569182467.db2.gz SPEZJZNDUGDVFQ-AHEVQNHNSA-N 0 0 429.479 3.905 50 0 IHAARN CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC000252467286 569184817 /nfs/dbraw/zinc/18/48/17/569184817.db2.gz AHDAFKXNRDYJGW-FKBYEOEOSA-N 0 0 427.589 3.805 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)OC ZINC000002132502 569185042 /nfs/dbraw/zinc/18/50/42/569185042.db2.gz BTYHVYXEVYVEEP-CKNGIIGNSA-N 0 0 437.492 3.931 50 0 biogenic IHAARN O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000252484349 569186456 /nfs/dbraw/zinc/18/64/56/569186456.db2.gz FUQYBKCKNHBFFY-OAHLLOKOSA-N 0 0 426.567 3.538 50 0 IHAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002149717 569187191 /nfs/dbraw/zinc/18/71/91/569187191.db2.gz VXCWXUXNEJNGGD-GOSISDBHSA-N 0 0 443.521 3.771 50 0 biogenic IHAARN COCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002152797 569187447 /nfs/dbraw/zinc/18/74/47/569187447.db2.gz MUISXJHOTMYOAH-NZQKXSOJSA-N 0 0 437.927 3.543 50 0 biogenic IHAARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000017520412 569189641 /nfs/dbraw/zinc/18/96/41/569189641.db2.gz HERGBDJHOXDBQK-UHFFFAOYSA-N 0 0 425.535 3.755 50 0 IHAARN CC(C)[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000252533141 569189670 /nfs/dbraw/zinc/18/96/70/569189670.db2.gz FYVVVLPHKKOYKC-HSZRJFAPSA-N 0 0 431.540 3.920 50 0 IHAARN CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000252538802 569190160 /nfs/dbraw/zinc/19/01/60/569190160.db2.gz NIGKAFULWBVKMN-WOJBJXKFSA-N 0 0 433.512 3.947 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1Cl ZINC000007604606 569191963 /nfs/dbraw/zinc/19/19/63/569191963.db2.gz JHCDGEJKSMWVLZ-MRXNPFEDSA-N 0 0 428.982 3.542 50 0 IHAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@@H]3CCCO3)C(=O)C(C)C)cc2)cc1 ZINC000037400241 569194886 /nfs/dbraw/zinc/19/48/86/569194886.db2.gz VVUMWKDFJAEOGE-NRFANRHFSA-N 0 0 447.553 3.627 50 0 IHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3n([C@H](C)C(=O)NCc3ccco3)c2=O)c1 ZINC000037423760 569195462 /nfs/dbraw/zinc/19/54/62/569195462.db2.gz MDRRWHWOPBZSGE-OAHLLOKOSA-N 0 0 437.883 3.585 50 0 IHAARN O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000037447565 569197112 /nfs/dbraw/zinc/19/71/12/569197112.db2.gz BGLOFUAWXWQUFM-UVFQYZLESA-N 0 0 444.354 3.630 50 0 biogenic IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000037470620 569197381 /nfs/dbraw/zinc/19/73/81/569197381.db2.gz SYRSRFSMSANKPI-PKTZIBPZSA-N 0 0 449.482 3.724 50 0 IHAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCOCC3)c2Oc2ccc(F)cc2)cc1 ZINC000037546943 569199726 /nfs/dbraw/zinc/19/97/26/569199726.db2.gz VDCDCMHEPXRFNB-UHFFFAOYSA-N 0 0 439.487 3.912 50 0 IHAARN COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000037556907 569200704 /nfs/dbraw/zinc/20/07/04/569200704.db2.gz UWLALWXYOLYCSF-UHFFFAOYSA-N 0 0 444.531 3.944 50 0 IHAARN CCOC(=O)C1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)CC)c2)CC1 ZINC000037600533 569202272 /nfs/dbraw/zinc/20/22/72/569202272.db2.gz VPVZHRCYIBAJTE-UHFFFAOYSA-N 0 0 436.552 3.974 50 0 IHAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000195545999 569204358 /nfs/dbraw/zinc/20/43/58/569204358.db2.gz CODOVNOUHLWOIS-DENIHFKCSA-N 0 0 431.458 3.908 50 0 IHAARN CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252675847 569210307 /nfs/dbraw/zinc/21/03/07/569210307.db2.gz VGPMBGLFJOPDLY-NVXWUHKLSA-N 0 0 427.364 3.892 50 0 IHAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002249945 569214895 /nfs/dbraw/zinc/21/48/95/569214895.db2.gz MJDPHXYKKGQWQA-LJQANCHMSA-N 0 0 436.895 3.726 50 0 IHAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccccc4Br)c(=O)n3n2)cc1 ZINC000002259413 569215495 /nfs/dbraw/zinc/21/54/95/569215495.db2.gz NWZVZSHCZJRDMG-ATVHPVEESA-N 0 0 442.338 3.917 50 0 IHAARN O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc(Br)o1 ZINC000027500236 569216464 /nfs/dbraw/zinc/21/64/64/569216464.db2.gz FENPAMXIRXIEBT-XFFZJAGNSA-N 0 0 444.022 3.991 50 0 IHAARN CCC[C@]12C[C@H](OC1=O)[C@H]1[C@H](CC=C3CC4(CC[C@@]31C)OCCO4)[C@@]2(O)/C=C/OCC ZINC000005952196 569256646 /nfs/dbraw/zinc/25/66/46/569256646.db2.gz NCVXCIWMIWHNSZ-ROXZNCNESA-N 0 0 432.557 3.879 50 0 IHAARN O=S(=O)(c1c2nonc2ccc1N1CCc2ccccc2C1)N1CCc2ccccc2C1 ZINC000035606317 569257627 /nfs/dbraw/zinc/25/76/27/569257627.db2.gz HUNPLMVHFPXSTO-UHFFFAOYSA-N 0 0 446.532 3.533 50 0 IHAARN CCOc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1F ZINC000253405813 569265352 /nfs/dbraw/zinc/26/53/52/569265352.db2.gz TUVAFMLXYODXHR-GOSISDBHSA-N 0 0 427.544 3.562 50 0 IHAARN O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000253408262 569265381 /nfs/dbraw/zinc/26/53/81/569265381.db2.gz XJYXYWIIMVMLKR-MISYRCLQSA-N 0 0 441.471 3.987 50 0 IHAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NCCCc3nc4ccccc4n3C)ccc12 ZINC000253409572 569265577 /nfs/dbraw/zinc/26/55/77/569265577.db2.gz MAXLGKMDIRAHQI-UHFFFAOYSA-N 0 0 433.508 3.733 50 0 biogenic IHAARN COc1ccc(CNn2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000027531456 569266109 /nfs/dbraw/zinc/26/61/09/569266109.db2.gz ZYLHMRXWRLZRIL-UHFFFAOYSA-N 0 0 447.491 3.842 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)cc1 ZINC000106183713 569272155 /nfs/dbraw/zinc/27/21/55/569272155.db2.gz QBHFPDIZTXWYSJ-SJORKVTESA-N 0 0 446.598 3.858 50 0 IHAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000002329000 569274449 /nfs/dbraw/zinc/27/44/49/569274449.db2.gz ZGHJNPVJWXZCOR-GOSISDBHSA-N 0 0 429.524 3.708 50 0 IHAARN CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 ZINC000002349415 569282227 /nfs/dbraw/zinc/28/22/27/569282227.db2.gz XWFHKRLVJYFUTE-OAHLLOKOSA-N 0 0 426.222 3.900 50 0 IHAARN Cc1nc(N2CCC(NS(=O)(=O)c3cccc(Cl)c3C)CC2)cc(C(F)(F)F)n1 ZINC000253472777 569282816 /nfs/dbraw/zinc/28/28/16/569282816.db2.gz PIKRYRLXSBXBFV-UHFFFAOYSA-N 0 0 448.898 3.713 50 0 IHAARN O=C(Nc1ccc(I)cc1Cl)c1cnc(C2OCCO2)s1 ZINC000253630152 569284454 /nfs/dbraw/zinc/28/44/54/569284454.db2.gz QGWQUGKWJKKKSF-UHFFFAOYSA-N 0 0 436.658 3.699 50 0 IHAARN Cc1ccc(-c2nn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c(=O)c3ccccc32)cc1 ZINC000002368599 569288703 /nfs/dbraw/zinc/28/87/03/569288703.db2.gz RTVSPSFVBOWYSM-UHFFFAOYSA-N 0 0 440.503 3.712 50 0 IHAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002377504 569289507 /nfs/dbraw/zinc/28/95/07/569289507.db2.gz HMZLCJODXXJYBF-UTKZUKDTSA-N 0 0 433.460 3.612 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1nnnn1-c1ccccc1 ZINC000008825664 569290886 /nfs/dbraw/zinc/29/08/86/569290886.db2.gz DEDBERWBUNMROM-VAWYXSNFSA-N 0 0 438.850 3.706 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000009445825 569296450 /nfs/dbraw/zinc/29/64/50/569296450.db2.gz DKMLIUITGDBDJR-UHFFFAOYSA-N 0 0 430.555 3.878 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)cc2C[C@@H]1C ZINC000009677096 569297692 /nfs/dbraw/zinc/29/76/92/569297692.db2.gz DIHAOONOLDDKRY-HNNXBMFYSA-N 0 0 432.517 3.624 50 0 IHAARN O=c1/c(=C/c2ccc(-c3nc4ccccc4s3)o2)sc2nc(-c3ccncc3)nn12 ZINC000002393054 569297995 /nfs/dbraw/zinc/29/79/95/569297995.db2.gz GMKPMJXUVHHDQP-BOPFTXTBSA-N 0 0 429.486 3.630 50 0 IHAARN O=C(N[C@]1(C(F)(F)F)N=C(SCc2ccccc2)NC1=O)c1cccc(Cl)c1 ZINC000002439065 569303996 /nfs/dbraw/zinc/30/39/96/569303996.db2.gz HXYUHJCSAULELI-KRWDZBQOSA-N 0 0 427.835 3.748 50 0 IHAARN COC(=O)C(C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000002439910 569304010 /nfs/dbraw/zinc/30/40/10/569304010.db2.gz WRXVDLGAJSUFNI-IERDGZPVSA-N 0 0 442.508 3.885 50 0 IHAARN CC1(C)c2ccccc2N2CC(=O)N(CC(=O)Nc3ccc(Br)cc3)[C@]21C ZINC000002440911 569304117 /nfs/dbraw/zinc/30/41/17/569304117.db2.gz PWXGFGMQBAEHLJ-NRFANRHFSA-N 0 0 428.330 3.744 50 0 IHAARN COc1ccccc1N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000082055908 569304786 /nfs/dbraw/zinc/30/47/86/569304786.db2.gz ZQYMIEXDLMJJBA-UHFFFAOYSA-N 0 0 444.510 3.856 50 0 IHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 ZINC000012983248 569305797 /nfs/dbraw/zinc/30/57/97/569305797.db2.gz SBLLWHCUPHKUNN-LJQANCHMSA-N 0 0 442.581 3.696 50 0 IHAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)ccc1OC ZINC000013015102 569307010 /nfs/dbraw/zinc/30/70/10/569307010.db2.gz IYSSIFNFBRGCKJ-HSZRJFAPSA-N 0 0 438.549 3.740 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000013041273 569308154 /nfs/dbraw/zinc/30/81/54/569308154.db2.gz WVEXLOHTGGHTSU-VWLOTQADSA-N 0 0 431.492 3.996 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc3ncsc3c1)CCC2 ZINC000013068273 569308760 /nfs/dbraw/zinc/30/87/60/569308760.db2.gz XZGRATLNMJRWBD-UHFFFAOYSA-N 0 0 430.507 3.819 50 0 IHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096366 569309578 /nfs/dbraw/zinc/30/95/78/569309578.db2.gz VVMOMEBYGVQMAO-OXQOHEQNSA-N 0 0 444.553 3.957 50 0 IHAARN COc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc(OC)c1OC ZINC000013097969 569309822 /nfs/dbraw/zinc/30/98/22/569309822.db2.gz GCJPOZDNSFXBQV-UHFFFAOYSA-N 0 0 426.513 3.956 50 0 IHAARN Cc1ccc(C(O)=C2[C@@H](c3ccc(Cl)cc3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013109398 569310231 /nfs/dbraw/zinc/31/02/31/569310231.db2.gz CXTLQMTZCXJYPB-DAYGRLMNSA-N 0 0 428.863 3.917 50 0 IHAARN COc1cc(C(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OC)c1OC ZINC000013356474 569313677 /nfs/dbraw/zinc/31/36/77/569313677.db2.gz HDACBKRPFMQYIR-RUZDIDTESA-N 0 0 440.540 3.580 50 0 IHAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359827 569313854 /nfs/dbraw/zinc/31/38/54/569313854.db2.gz LRYPHWFJWDJJIW-UHFFFAOYSA-N 0 0 425.485 3.899 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2C[C@H]1C ZINC000013365862 569314216 /nfs/dbraw/zinc/31/42/16/569314216.db2.gz XSIDMWBBFGAEJK-QGZVFWFLSA-N 0 0 428.554 3.794 50 0 IHAARN COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1 ZINC000013368313 569314623 /nfs/dbraw/zinc/31/46/23/569314623.db2.gz BDTDFQJRWLYHSJ-UHFFFAOYSA-N 0 0 448.504 3.868 50 0 IHAARN CCC[C@@H](C(=O)N1CCC(F)(c2ccccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328591651 569317059 /nfs/dbraw/zinc/31/70/59/569317059.db2.gz GHSGPSSZMAERHY-IBGZPJMESA-N 0 0 448.583 3.590 50 0 IHAARN CC(C)(C)[C@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O ZINC000328593113 569317320 /nfs/dbraw/zinc/31/73/20/569317320.db2.gz BJVCPPJUVVUHBJ-DYVFJYSZSA-N 0 0 430.555 3.658 50 0 IHAARN COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000078822314 569319409 /nfs/dbraw/zinc/31/94/09/569319409.db2.gz UJLIRIJNXPWUOV-RDPSFJRHSA-N 0 0 426.557 3.696 50 0 IHAARN COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000078822327 569319465 /nfs/dbraw/zinc/31/94/65/569319465.db2.gz UJLIRIJNXPWUOV-YKSBVNFPSA-N 0 0 426.557 3.696 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1[S@](C)=O ZINC000078899480 569320108 /nfs/dbraw/zinc/32/01/08/569320108.db2.gz PPRYZZXXSPCNCJ-DEXQXJORSA-N 0 0 434.583 3.548 50 0 IHAARN O=C(CCCNC(=O)OCc1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000078975711 569321134 /nfs/dbraw/zinc/32/11/34/569321134.db2.gz JCBBBJPSOBWUPY-VWNXMTODSA-N 0 0 432.524 3.935 50 0 IHAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000079025196 569322841 /nfs/dbraw/zinc/32/28/41/569322841.db2.gz ZEAGDRDMXYQKRN-OAHLLOKOSA-N 0 0 433.487 3.756 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c(C)c1 ZINC000019597786 569322957 /nfs/dbraw/zinc/32/29/57/569322957.db2.gz HUCCPZNELNCFLT-UHFFFAOYSA-N 0 0 442.512 3.849 50 0 IHAARN Cc1cc2nc(-c3ccc(CNC(=O)Cn4cnc5ccccc5c4=O)cc3)[nH]c2cc1C ZINC000079051497 569323304 /nfs/dbraw/zinc/32/33/04/569323304.db2.gz VLXPDZRYGJIDQU-UHFFFAOYSA-N 0 0 437.503 3.873 50 0 IHAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccc(Br)cc3)ncn2)C1 ZINC000079055815 569323688 /nfs/dbraw/zinc/32/36/88/569323688.db2.gz ZGHKITDIFVGDOQ-CQSZACIVSA-N 0 0 433.306 3.713 50 0 IHAARN CC(C)[C@@H](NC(=O)CS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000079111575 569326208 /nfs/dbraw/zinc/32/62/08/569326208.db2.gz OXZGJRIJGROQDN-OAQYLSRUSA-N 0 0 437.945 3.789 50 0 IHAARN O=C(Nc1cc(Br)cnc1Br)c1ccc(N2CCCC2=O)cc1 ZINC000079110677 569326212 /nfs/dbraw/zinc/32/62/12/569326212.db2.gz ZJACCZCOIHMJJQ-UHFFFAOYSA-N 0 0 439.107 3.986 50 0 IHAARN COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccccn4)cc3)c(=O)oc21 ZINC000079193110 569328286 /nfs/dbraw/zinc/32/82/86/569328286.db2.gz JEQZLHIZJSKSBZ-UHFFFAOYSA-N 0 0 430.460 3.601 50 0 biogenic IHAARN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019792209 569329391 /nfs/dbraw/zinc/32/93/91/569329391.db2.gz BBMMAWZHYVUTCH-UHFFFAOYSA-N 0 0 426.358 3.917 50 0 IHAARN CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)cc21 ZINC000019796483 569329540 /nfs/dbraw/zinc/32/95/40/569329540.db2.gz PDPXBYDXAUDKEH-UHFFFAOYSA-N 0 0 439.493 3.825 50 0 IHAARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1cccc(C)n1)C(F)(F)F ZINC000019944186 569332177 /nfs/dbraw/zinc/33/21/77/569332177.db2.gz MSMOACKMTDEWCR-INIZCTEOSA-N 0 0 436.217 3.970 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1 ZINC000020116378 569335101 /nfs/dbraw/zinc/33/51/01/569335101.db2.gz LFSXZZZOKXLUGF-IBGZPJMESA-N 0 0 430.551 3.675 50 0 IHAARN O=S(=O)(c1c(F)cccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826914 569353833 /nfs/dbraw/zinc/35/38/33/569353833.db2.gz RGAWFDBVTZYWHC-UHFFFAOYSA-N 0 0 432.496 3.857 50 0 IHAARN COc1ccc(Br)c(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)c1 ZINC000390829987 569354160 /nfs/dbraw/zinc/35/41/60/569354160.db2.gz HYCSZYWSBXOVIR-MRXNPFEDSA-N 0 0 444.372 3.521 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390830020 569354191 /nfs/dbraw/zinc/35/41/91/569354191.db2.gz IEZWJXDQVVSUHW-GOSISDBHSA-N 0 0 429.435 3.775 50 0 IHAARN O=C(c1cc(Br)cs1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390831862 569354395 /nfs/dbraw/zinc/35/43/95/569354395.db2.gz VNXSBCIRQIYKGB-UHFFFAOYSA-N 0 0 428.373 3.730 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCCC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208780 569355993 /nfs/dbraw/zinc/35/59/93/569355993.db2.gz AIKGQVKZHWQDRJ-RPWUZVMVSA-N 0 0 434.536 3.943 50 0 IHAARN COC(CNC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O)OC ZINC000020237575 569357494 /nfs/dbraw/zinc/35/74/94/569357494.db2.gz LCSCJLOIGNEEFL-JTSKRJEESA-N 0 0 442.581 3.682 50 0 IHAARN COc1ccccc1CNC(=O)C[S@@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000020241645 569358052 /nfs/dbraw/zinc/35/80/52/569358052.db2.gz NMZLZLBNQVFWPH-GDLZYMKVSA-N 0 0 432.929 3.877 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)cc2s1 ZINC000020326175 569360475 /nfs/dbraw/zinc/36/04/75/569360475.db2.gz OPURKNKTHZVBRB-XOBRGWDASA-N 0 0 431.583 3.785 50 0 IHAARN CCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1 ZINC000020354902 569361042 /nfs/dbraw/zinc/36/10/42/569361042.db2.gz QCIUUKXWUPSDBI-UHFFFAOYSA-N 0 0 435.480 3.786 50 0 IHAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000020381499 569362653 /nfs/dbraw/zinc/36/26/53/569362653.db2.gz DFHOXHTVJUMLGU-UHFFFAOYSA-N 0 0 443.956 3.731 50 0 IHAARN COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)cs2)c1 ZINC000095381659 569363241 /nfs/dbraw/zinc/36/32/41/569363241.db2.gz QEVGWBDDEQOJCZ-UHFFFAOYSA-N 0 0 436.581 3.883 50 0 IHAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(Br)cc1O ZINC000095381832 569363242 /nfs/dbraw/zinc/36/32/42/569363242.db2.gz VGWDFXACJVBKKS-BLVKFPJESA-N 0 0 433.302 3.909 50 0 IHAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5n[nH]cc5C4)c23)c1 ZINC000095385742 569363373 /nfs/dbraw/zinc/36/33/73/569363373.db2.gz DQAJPHVWSZJXDX-UHFFFAOYSA-N 0 0 438.582 3.538 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000095398234 569363643 /nfs/dbraw/zinc/36/36/43/569363643.db2.gz ZBVDFDBQCXLTSM-PXNSSMCTSA-N 0 0 439.508 3.649 50 0 IHAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000095398237 569363699 /nfs/dbraw/zinc/36/36/99/569363699.db2.gz ZBVDFDBQCXLTSM-YLJYHZDGSA-N 0 0 439.508 3.649 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c1 ZINC000020417497 569365028 /nfs/dbraw/zinc/36/50/28/569365028.db2.gz ZPAWZKAZSXDOQS-UHFFFAOYSA-N 0 0 446.482 3.844 50 0 IHAARN Cc1c2cnn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417529 569365073 /nfs/dbraw/zinc/36/50/73/569365073.db2.gz GFDOQKCMSYVIES-XCGNWRKASA-N 0 0 438.547 3.943 50 0 IHAARN Cn1nc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1Br ZINC000095441887 569366729 /nfs/dbraw/zinc/36/67/29/569366729.db2.gz CYTNRHQFVRHPFL-UHFFFAOYSA-N 0 0 426.274 3.662 50 0 IHAARN COC(=O)c1cccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000095454272 569368396 /nfs/dbraw/zinc/36/83/96/569368396.db2.gz ZEBJBDWFBTYSFM-JOCHJYFZSA-N 0 0 444.531 3.838 50 0 IHAARN Cc1cc(Oc2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3OC(C)C)cc2)n[nH]1 ZINC000095461547 569369853 /nfs/dbraw/zinc/36/98/53/569369853.db2.gz UVBRLWPMWFGKGQ-UHFFFAOYSA-N 0 0 429.498 3.953 50 0 IHAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(C)CCNC(=O)N(C)C ZINC000095467773 569371174 /nfs/dbraw/zinc/37/11/74/569371174.db2.gz VDZJQSHJZGYDOM-UHFFFAOYSA-N 0 0 432.783 3.903 50 0 IHAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482290 569374347 /nfs/dbraw/zinc/37/43/47/569374347.db2.gz JDNAZPCUFGPLGB-QGZVFWFLSA-N 0 0 446.301 3.982 50 0 IHAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3)c(Cl)c2)S1 ZINC000020895880 569374996 /nfs/dbraw/zinc/37/49/96/569374996.db2.gz KVDAWOAYODJSIJ-LJQANCHMSA-N 0 0 433.917 3.799 50 0 IHAARN O=S(=O)(NC1CC1)c1cccc(NCc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000095945445 569375878 /nfs/dbraw/zinc/37/58/78/569375878.db2.gz FTUIWGDZWOOLMQ-UHFFFAOYSA-N 0 0 447.358 3.892 50 0 IHAARN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000095946842 569376192 /nfs/dbraw/zinc/37/61/92/569376192.db2.gz NCLSJQXEYCLMND-UHFFFAOYSA-N 0 0 445.571 3.543 50 0 IHAARN CC(C)Cn1ncc2cc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 ZINC000095958253 569376982 /nfs/dbraw/zinc/37/69/82/569376982.db2.gz BCRYTILPTLAKFG-SJORKVTESA-N 0 0 429.565 3.853 50 0 IHAARN Cc1cc(C)n2nc(CCCOC(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)nc2n1 ZINC000095997396 569378947 /nfs/dbraw/zinc/37/89/47/569378947.db2.gz KFBYRZVAXLDISG-UHFFFAOYSA-N 0 0 439.516 3.659 50 0 IHAARN CS(=O)(=O)c1ccc(OCCCC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC000096005876 569379354 /nfs/dbraw/zinc/37/93/54/569379354.db2.gz VVUYXWNEWOALGV-FQEVSTJZSA-N 0 0 441.471 3.769 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCOc4ccccc43)nnc2N2CCCC2)cc1 ZINC000028034160 569380290 /nfs/dbraw/zinc/38/02/90/569380290.db2.gz AIOJDCKWAPKVKY-HXUWFJFHSA-N 0 0 449.580 3.908 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000096024327 569380559 /nfs/dbraw/zinc/38/05/59/569380559.db2.gz XIXKTJDZVZEPRR-UHFFFAOYSA-N 0 0 439.522 3.743 50 0 IHAARN CCSc1ccccc1N1CCN(CCCN2C(=O)C[C@@H](c3ccccc3)C2=O)CC1 ZINC000096027640 569380816 /nfs/dbraw/zinc/38/08/16/569380816.db2.gz BOVOWVZVCDDVIA-NRFANRHFSA-N 0 0 437.609 3.853 50 0 IHAARN COc1cccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)c1OC ZINC000096096999 569381469 /nfs/dbraw/zinc/38/14/69/569381469.db2.gz ATRGQCWJDANLJP-UHFFFAOYSA-N 0 0 436.306 3.937 50 0 IHAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102939 569381853 /nfs/dbraw/zinc/38/18/53/569381853.db2.gz LKXVMAAMOFQFDJ-UHFFFAOYSA-N 0 0 441.329 3.773 50 0 IHAARN Cc1ccc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000096105494 569382415 /nfs/dbraw/zinc/38/24/15/569382415.db2.gz HBELQPQNWAJYSU-UHFFFAOYSA-N 0 0 425.916 3.684 50 0 IHAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115636 569383262 /nfs/dbraw/zinc/38/32/62/569383262.db2.gz JIJYTRYAFQRIFH-HNNXBMFYSA-N 0 0 439.427 3.952 50 0 biogenic IHAARN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)c1 ZINC000096119625 569384642 /nfs/dbraw/zinc/38/46/42/569384642.db2.gz KSPKQVSHKHVSIF-UHFFFAOYSA-N 0 0 434.477 3.726 50 0 IHAARN Brc1ccccc1-c1nnc(CN2CCN(CCOc3ccccc3)CC2)o1 ZINC000096125827 569385756 /nfs/dbraw/zinc/38/57/56/569385756.db2.gz ZMOLUYYBTZHQTL-UHFFFAOYSA-N 0 0 443.345 3.696 50 0 IHAARN Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000096126919 569385762 /nfs/dbraw/zinc/38/57/62/569385762.db2.gz ORFXRLZDZCNUJR-FQEVSTJZSA-N 0 0 425.916 3.631 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccc(F)cc1)C2 ZINC000096193766 569386184 /nfs/dbraw/zinc/38/61/84/569386184.db2.gz WSQNKYKLMOSVON-UHFFFAOYSA-N 0 0 444.466 3.925 50 0 IHAARN COCCCN(C(=O)c1ccccc1Cl)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000096210560 569386426 /nfs/dbraw/zinc/38/64/26/569386426.db2.gz WXIXVOSGZFAJFN-OAHLLOKOSA-N 0 0 434.920 3.822 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000096211198 569386583 /nfs/dbraw/zinc/38/65/83/569386583.db2.gz FMYNLTFHFRXXEQ-PKTZIBPZSA-N 0 0 432.586 3.626 50 0 IHAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)C=C2 ZINC000096231734 569387590 /nfs/dbraw/zinc/38/75/90/569387590.db2.gz IQLGFJDMFBQWQE-UHFFFAOYSA-N 0 0 446.956 3.621 50 0 IHAARN Cc1ccc2nc(-c3ccco3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 ZINC000096288705 569390453 /nfs/dbraw/zinc/39/04/53/569390453.db2.gz CDGZTIDOPXMBSC-UHFFFAOYSA-N 0 0 434.521 3.709 50 0 IHAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2N1C[C@@H]1CCCO1 ZINC000096293379 569391557 /nfs/dbraw/zinc/39/15/57/569391557.db2.gz IADKWHJJLYNADC-KRWDZBQOSA-N 0 0 427.526 3.744 50 0 IHAARN O=C(Nc1cc(F)cc(F)c1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1 ZINC000096309110 569392264 /nfs/dbraw/zinc/39/22/64/569392264.db2.gz YWUMQKYEHWOYCH-UHFFFAOYSA-N 0 0 426.427 3.641 50 0 IHAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2ccccc2F)CC1 ZINC000096316808 569392835 /nfs/dbraw/zinc/39/28/35/569392835.db2.gz MWFYGNSJXNSVBN-UHFFFAOYSA-N 0 0 448.608 3.754 50 0 IHAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc(OC)cc1 ZINC000096317412 569393403 /nfs/dbraw/zinc/39/34/03/569393403.db2.gz WLIQNQBBKZECEJ-UHFFFAOYSA-N 0 0 446.551 3.558 50 0 IHAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)ccc2=O)cc1C ZINC000096324203 569395720 /nfs/dbraw/zinc/39/57/20/569395720.db2.gz MUKATUGYWQBSHQ-UHFFFAOYSA-N 0 0 440.906 3.604 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000096324639 569396023 /nfs/dbraw/zinc/39/60/23/569396023.db2.gz OUJIZPNUWHJCKV-OAHLLOKOSA-N 0 0 439.903 3.625 50 0 IHAARN COc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1Cl ZINC000096331228 569396288 /nfs/dbraw/zinc/39/62/88/569396288.db2.gz OSIKHMZQMZQSHN-UHFFFAOYSA-N 0 0 427.975 3.968 50 0 IHAARN CN(C)c1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccc(F)cc5)no4)nn3C)C2)cc1 ZINC000096331459 569396334 /nfs/dbraw/zinc/39/63/34/569396334.db2.gz DBEKEKPCBRVXMB-UHFFFAOYSA-N 0 0 446.486 3.541 50 0 IHAARN COc1ccc([C@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1O ZINC000096336017 569396728 /nfs/dbraw/zinc/39/67/28/569396728.db2.gz ZALLGLVRKPITCR-AZUAARDMSA-N 0 0 427.840 3.847 50 0 IHAARN CC[C@@H](C(=O)NCCc1c[nH]c2ccc(C)cc12)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000096355829 569397404 /nfs/dbraw/zinc/39/74/04/569397404.db2.gz RMLVQPRMKZTMPN-QFIPXVFZSA-N 0 0 441.535 3.988 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000096358579 569397493 /nfs/dbraw/zinc/39/74/93/569397493.db2.gz QPXJWRYHGZRNHY-UHFFFAOYSA-N 0 0 429.307 3.502 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000096371205 569397795 /nfs/dbraw/zinc/39/77/95/569397795.db2.gz GRFYOSKRRAHOCG-SFHVURJKSA-N 0 0 435.954 3.730 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(CCNC(=O)C4CC4)cs3)C2)c(C)c1 ZINC000096373207 569398051 /nfs/dbraw/zinc/39/80/51/569398051.db2.gz IXIZUURMIXFSOW-KRWDZBQOSA-N 0 0 427.570 3.549 50 0 IHAARN CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000096374780 569398231 /nfs/dbraw/zinc/39/82/31/569398231.db2.gz JPIMKQQJTZKJAM-UHFFFAOYSA-N 0 0 439.574 3.717 50 0 IHAARN COc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000096386957 569398770 /nfs/dbraw/zinc/39/87/70/569398770.db2.gz VQJDALNBPACSCG-FQEVSTJZSA-N 0 0 431.492 3.815 50 0 IHAARN CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccccc3Cl)CC1)C2 ZINC000096398269 569399567 /nfs/dbraw/zinc/39/95/67/569399567.db2.gz LXXPZJCKGUSOEI-HNNXBMFYSA-N 0 0 431.989 3.557 50 0 IHAARN COc1cc(-c2c(C)[nH]nc2NC(=O)COc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000096398955 569399835 /nfs/dbraw/zinc/39/98/35/569399835.db2.gz IWWGKTYSMININD-UHFFFAOYSA-N 0 0 433.411 3.707 50 0 IHAARN CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1OC ZINC000096437978 569400667 /nfs/dbraw/zinc/40/06/67/569400667.db2.gz IJCABSHIDPGDTF-BGYRXZFFSA-N 0 0 444.572 3.788 50 0 IHAARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000097037959 569402993 /nfs/dbraw/zinc/40/29/93/569402993.db2.gz IMFBDUBBDILZSX-GOSISDBHSA-N 0 0 448.571 3.627 50 0 IHAARN CC(C)C(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)C(C)C ZINC000002458606 569403437 /nfs/dbraw/zinc/40/34/37/569403437.db2.gz ZEPNACXPVZKECV-UHFFFAOYSA-N 0 0 428.904 3.922 50 0 IHAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCc2ccccc21 ZINC000002459450 569403449 /nfs/dbraw/zinc/40/34/49/569403449.db2.gz ANWAMTYWPVMWHX-UHFFFAOYSA-N 0 0 435.574 3.952 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225742943 569407906 /nfs/dbraw/zinc/40/79/06/569407906.db2.gz USMBTFWFHDMZGA-UHFFFAOYSA-N 0 0 443.473 3.518 50 0 IHAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000225744397 569407963 /nfs/dbraw/zinc/40/79/63/569407963.db2.gz JFXAGZDQKIMBPW-UHFFFAOYSA-N 0 0 436.903 3.869 50 0 IHAARN O=C(c1ccccc1Br)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225819832 569409011 /nfs/dbraw/zinc/40/90/11/569409011.db2.gz XKMZHVOAFYRJFV-UHFFFAOYSA-N 0 0 442.313 3.523 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002617748 569410355 /nfs/dbraw/zinc/41/03/55/569410355.db2.gz HKODMIZPNLALOC-IBGZPJMESA-N 0 0 438.698 3.979 50 0 IHAARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002631424 569412464 /nfs/dbraw/zinc/41/24/64/569412464.db2.gz NNNCXHMWIPNPSW-UHFFFAOYSA-N 0 0 439.921 3.862 50 0 IHAARN C[C@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002641366 569413827 /nfs/dbraw/zinc/41/38/27/569413827.db2.gz JPBKBZZCVYUFSR-LJQANCHMSA-N 0 0 427.504 3.529 50 0 IHAARN COC[C@H](C)n1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O ZINC000002644705 569414047 /nfs/dbraw/zinc/41/40/47/569414047.db2.gz HEQNTBGJFLLUCZ-LBPRGKRZSA-N 0 0 427.526 3.726 50 0 IHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nnc2nc(C)cc(C)n21 ZINC000002644170 569414052 /nfs/dbraw/zinc/41/40/52/569414052.db2.gz HHBASQRJSKOKQK-UHFFFAOYSA-N 0 0 433.559 3.834 50 0 IHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1 ZINC000215727438 569414276 /nfs/dbraw/zinc/41/42/76/569414276.db2.gz GGJRTXSAUCMMRQ-HXUWFJFHSA-N 0 0 446.334 3.650 50 0 IHAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(Br)s2)cs1 ZINC000002649214 569414486 /nfs/dbraw/zinc/41/44/86/569414486.db2.gz LKQANBINDUMPNB-UHFFFAOYSA-N 0 0 441.353 3.979 50 0 IHAARN C[C@@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 ZINC000002649668 569414616 /nfs/dbraw/zinc/41/46/16/569414616.db2.gz BPVNUGGHFHDKNR-NIYFSFCBSA-N 0 0 427.504 3.554 50 0 IHAARN CC(C)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000002656425 569415504 /nfs/dbraw/zinc/41/55/04/569415504.db2.gz VOXFJMYRQXUCRJ-UHFFFAOYSA-N 0 0 438.933 3.509 50 0 IHAARN CCOC(=O)c1[nH]c(COC(=O)CCc2nc3ccccc3s2)c(C(=O)OCC)c1C ZINC000002660463 569416086 /nfs/dbraw/zinc/41/60/86/569416086.db2.gz YHQHNDLOMVLERQ-UHFFFAOYSA-N 0 0 444.509 3.962 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000002664811 569416510 /nfs/dbraw/zinc/41/65/10/569416510.db2.gz HMPVXOIJWBSSNF-UHFFFAOYSA-N 0 0 446.912 3.529 50 0 IHAARN CCOC(=O)[C@@H](CC)Sc1nnc(CSc2ncccn2)n1-c1ccc(F)cc1 ZINC000002706168 569417478 /nfs/dbraw/zinc/41/74/78/569417478.db2.gz WDFUUPFRMDDVIQ-OAHLLOKOSA-N 0 0 433.534 3.923 50 0 IHAARN CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C(=O)NC2CCCC2)n1 ZINC000002728483 569418722 /nfs/dbraw/zinc/41/87/22/569418722.db2.gz DVXOLXTXQSOMPC-UHFFFAOYSA-N 0 0 440.935 3.726 50 0 IHAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002804460 569422559 /nfs/dbraw/zinc/42/25/59/569422559.db2.gz ZTKWQFSILYUOLC-LBPRGKRZSA-N 0 0 426.406 3.791 50 0 IHAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000002804459 569422575 /nfs/dbraw/zinc/42/25/75/569422575.db2.gz ZTKWQFSILYUOLC-GFCCVEGCSA-N 0 0 426.406 3.791 50 0 IHAARN Cc1nn([C@@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Br ZINC000002808951 569422791 /nfs/dbraw/zinc/42/27/91/569422791.db2.gz FWJVCJZZKGIVDR-ZDUSSCGKSA-N 0 0 437.305 3.648 50 0 IHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000002853181 569423681 /nfs/dbraw/zinc/42/36/81/569423681.db2.gz GBRSEZYQULCRFR-UHFFFAOYSA-N 0 0 436.839 3.772 50 0 IHAARN Cc1nnc2nc(SCC(=O)N3CCC(C)CC3)n(-c3ccc(C)c(Cl)c3)c(N)c1-2 ZINC000002926998 569425760 /nfs/dbraw/zinc/42/57/60/569425760.db2.gz TZKAPBFQYHRLCN-UHFFFAOYSA-N 0 0 444.992 3.849 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccccc2C)cc1 ZINC000002926967 569425761 /nfs/dbraw/zinc/42/57/61/569425761.db2.gz IIXQHEUTXVKHMX-UHFFFAOYSA-N 0 0 448.552 3.974 50 0 IHAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945186 569427949 /nfs/dbraw/zinc/42/79/49/569427949.db2.gz GLWYKFIBVPVDOM-QFIPXVFZSA-N 0 0 439.943 3.992 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000056945490 569427957 /nfs/dbraw/zinc/42/79/57/569427957.db2.gz HNZVIRXUGXIGKZ-FQEVSTJZSA-N 0 0 429.442 3.990 50 0 IHAARN Cc1ccsc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000029236902 569429136 /nfs/dbraw/zinc/42/91/36/569429136.db2.gz PAEFBNZXJWHFPS-UHFFFAOYSA-N 0 0 432.611 3.652 50 0 IHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000057054112 569429399 /nfs/dbraw/zinc/42/93/99/569429399.db2.gz ORYGXCSBPGCFBA-INIZCTEOSA-N 0 0 438.503 3.551 50 0 IHAARN COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000057122063 569429536 /nfs/dbraw/zinc/42/95/36/569429536.db2.gz FSXFFARJUOASMZ-HOSQHVHZSA-N 0 0 425.916 3.927 50 0 IHAARN O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1ccccc1F ZINC000227151713 569431601 /nfs/dbraw/zinc/43/16/01/569431601.db2.gz PLIZRDXTVSHNFK-UHFFFAOYSA-N 0 0 432.293 3.902 50 0 IHAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)c1C ZINC000057381108 569432817 /nfs/dbraw/zinc/43/28/17/569432817.db2.gz IDEONCSVLBJGPV-UHFFFAOYSA-N 0 0 447.535 3.872 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1 ZINC000002972233 569433476 /nfs/dbraw/zinc/43/34/76/569433476.db2.gz ATHHPUNDLOQOBQ-UHFFFAOYSA-N 0 0 429.586 3.922 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)NCc2ccco2)c1 ZINC000057426141 569434497 /nfs/dbraw/zinc/43/44/97/569434497.db2.gz MVFKMUSFICWYSK-UHFFFAOYSA-N 0 0 441.534 3.516 50 0 IHAARN COc1cccc(Cn2c(=O)c3sccc3nc2SCC(=O)N2CCC[C@@H](C)C2)c1 ZINC000057426177 569434501 /nfs/dbraw/zinc/43/45/01/569434501.db2.gz HFMBAEHSPDXHBT-OAHLLOKOSA-N 0 0 443.594 3.866 50 0 IHAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 ZINC000057426577 569434639 /nfs/dbraw/zinc/43/46/39/569434639.db2.gz VAIPEACNPPMBMI-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1C ZINC000057426988 569434732 /nfs/dbraw/zinc/43/47/32/569434732.db2.gz YGKCWGKQQHQVNS-UHFFFAOYSA-N 0 0 433.533 3.837 50 0 IHAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CS(=O)(=O)C3)cc1 ZINC000003009404 569435256 /nfs/dbraw/zinc/43/52/56/569435256.db2.gz JPDUNOWYUCTSGV-UHFFFAOYSA-N 0 0 439.537 3.859 50 0 IHAARN COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 ZINC000003008489 569435277 /nfs/dbraw/zinc/43/52/77/569435277.db2.gz WEAOUCJBTLDTNV-UHFFFAOYSA-N 0 0 431.901 3.523 50 0 IHAARN CCOCCOC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O ZINC000057466496 569435536 /nfs/dbraw/zinc/43/55/36/569435536.db2.gz GWNRLWJREMEVEH-UHFFFAOYSA-N 0 0 448.441 3.976 50 0 IHAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCCc3ccccc3)c2)cc1 ZINC000003022496 569435973 /nfs/dbraw/zinc/43/59/73/569435973.db2.gz BALYNNYAJFHFAU-UHFFFAOYSA-N 0 0 442.512 3.998 50 0 IHAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1 ZINC000003024624 569436232 /nfs/dbraw/zinc/43/62/32/569436232.db2.gz PHYNWHIXTLKSTG-UHFFFAOYSA-N 0 0 426.469 3.838 50 0 IHAARN CN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccccc2F)c1=O)c1cccc(Cl)c1 ZINC000057490600 569437193 /nfs/dbraw/zinc/43/71/93/569437193.db2.gz JKTFKJZFXFAYHC-UHFFFAOYSA-N 0 0 443.887 3.669 50 0 IHAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000057491363 569437297 /nfs/dbraw/zinc/43/72/97/569437297.db2.gz HNBPLVURSIXKOY-UHFFFAOYSA-N 0 0 441.896 3.515 50 0 IHAARN O=C(Cn1c2ccsc2c(=O)n(-c2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1F ZINC000057491491 569437377 /nfs/dbraw/zinc/43/73/77/569437377.db2.gz LBWDSWJXRBZJEO-UHFFFAOYSA-N 0 0 447.850 3.784 50 0 IHAARN CCN(C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)c(C)c2)c1=O)c1ccccc1 ZINC000057494308 569437662 /nfs/dbraw/zinc/43/76/62/569437662.db2.gz WWXLTNFMKGANER-UHFFFAOYSA-N 0 0 437.496 3.715 50 0 IHAARN CC[C@@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1O ZINC000003031968 569437771 /nfs/dbraw/zinc/43/77/71/569437771.db2.gz WEBFOPHJLJGZAX-CYBMUJFWSA-N 0 0 447.944 3.535 50 0 IHAARN Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc32)c(C)c1 ZINC000057506921 569438237 /nfs/dbraw/zinc/43/82/37/569438237.db2.gz LWILTQPMSLKLMX-UHFFFAOYSA-N 0 0 429.571 3.579 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)c1 ZINC000057510455 569438385 /nfs/dbraw/zinc/43/83/85/569438385.db2.gz IOTYVLYVCWNKAO-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000003044348 569438579 /nfs/dbraw/zinc/43/85/79/569438579.db2.gz RPTUKOBBKORXJK-UHFFFAOYSA-N 0 0 433.439 3.536 50 0 IHAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230128745 569438805 /nfs/dbraw/zinc/43/88/05/569438805.db2.gz KIYNVMNNNAGPRD-AHWVRZQESA-N 0 0 427.548 3.879 50 0 IHAARN O=C(C(=O)N1CCOCC1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000003048703 569438882 /nfs/dbraw/zinc/43/88/82/569438882.db2.gz KTFYHHINMJJUGS-UHFFFAOYSA-N 0 0 437.805 3.739 50 0 IHAARN CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc3n21 ZINC000057522594 569439011 /nfs/dbraw/zinc/43/90/11/569439011.db2.gz ONUUOQUFQLLSQZ-UHFFFAOYSA-N 0 0 440.301 3.569 50 0 IHAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Br)cc1F ZINC000057521859 569439022 /nfs/dbraw/zinc/43/90/22/569439022.db2.gz WLQOKSXSEPGPLP-UHFFFAOYSA-N 0 0 439.310 3.685 50 0 IHAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000057522079 569439028 /nfs/dbraw/zinc/43/90/28/569439028.db2.gz KYLZNQTXOOIOBJ-UHFFFAOYSA-N 0 0 435.347 3.855 50 0 IHAARN CCc1cc(=O)n(CC(=O)Nc2ccc(C(=O)OC)cc2)c(-c2cccc(Cl)c2)n1 ZINC000057527751 569439169 /nfs/dbraw/zinc/43/91/69/569439169.db2.gz KEMCGMLYBKFKHQ-UHFFFAOYSA-N 0 0 425.872 3.551 50 0 IHAARN COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C)nc1-c1cccc(Cl)c1 ZINC000057527000 569439185 /nfs/dbraw/zinc/43/91/85/569439185.db2.gz ULUOXKHZWJSCEJ-UHFFFAOYSA-N 0 0 446.290 3.951 50 0 IHAARN COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C(O)c1ccccc1 ZINC000057531282 569439454 /nfs/dbraw/zinc/43/94/54/569439454.db2.gz CAPYRYAACVZIHP-DXIQSLLYSA-N 0 0 444.409 3.952 50 0 IHAARN COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)sc2c1 ZINC000003208299 569441734 /nfs/dbraw/zinc/44/17/34/569441734.db2.gz XXFYJWYFTNCVFM-UHFFFAOYSA-N 0 0 431.539 3.732 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccncc1 ZINC000003221129 569441957 /nfs/dbraw/zinc/44/19/57/569441957.db2.gz LSMNQEBJZMLKLZ-UHFFFAOYSA-N 0 0 439.541 3.700 50 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O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003313535 569445610 /nfs/dbraw/zinc/44/56/10/569445610.db2.gz LCFTVIWAOMNTOV-INIZCTEOSA-N 0 0 436.942 3.846 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000058066136 569446487 /nfs/dbraw/zinc/44/64/87/569446487.db2.gz VCAFKOXPMAUIMN-UHFFFAOYSA-N 0 0 432.524 3.973 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)Cc1coc3cc(OC)ccc13)CCC2 ZINC000003333222 569446544 /nfs/dbraw/zinc/44/65/44/569446544.db2.gz YMQJRIVPXBJIIB-UHFFFAOYSA-N 0 0 443.477 3.503 50 0 IHAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)CCc3ccccc3)nc2c1 ZINC000003332963 569446556 /nfs/dbraw/zinc/44/65/56/569446556.db2.gz XRNJIHBLJNFBTJ-OAHLLOKOSA-N 0 0 432.567 3.851 50 0 IHAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(OC(F)F)cc1 ZINC000003332929 569446563 /nfs/dbraw/zinc/44/65/63/569446563.db2.gz CPTZQCBPVOGTHB-SFHVURJKSA-N 0 0 443.402 3.648 50 0 IHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Br)s1 ZINC000003336669 569446634 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434.536 3.691 50 0 IHAARN COc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000008132735 569462261 /nfs/dbraw/zinc/46/22/61/569462261.db2.gz DNMRWDXJIFDNDT-IRXDYDNUSA-N 0 0 431.606 3.828 50 0 IHAARN Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)c(Br)c3)no2)n[nH]1 ZINC000067207868 569464721 /nfs/dbraw/zinc/46/47/21/569464721.db2.gz JSGPCDZHFMCJQF-UHFFFAOYSA-N 0 0 445.252 3.777 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc43)cc2c1=O ZINC000067208608 569464782 /nfs/dbraw/zinc/46/47/82/569464782.db2.gz VOMBGUTUFGBWED-UHFFFAOYSA-N 0 0 439.475 3.667 50 0 IHAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1C ZINC000067218313 569464978 /nfs/dbraw/zinc/46/49/78/569464978.db2.gz PRDDEESATLIFIY-UHFFFAOYSA-N 0 0 445.544 3.810 50 0 IHAARN CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 ZINC000067226127 569465188 /nfs/dbraw/zinc/46/51/88/569465188.db2.gz MNTNGEZZTZNTRO-HNNXBMFYSA-N 0 0 425.558 3.851 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccccc3Cl)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236210 569465362 /nfs/dbraw/zinc/46/53/62/569465362.db2.gz YSPFUECZKUPODP-UHFFFAOYSA-N 0 0 442.928 3.736 50 0 IHAARN COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067237144 569465481 /nfs/dbraw/zinc/46/54/81/569465481.db2.gz JGCQTYWHHFAKIH-UHFFFAOYSA-N 0 0 448.548 3.748 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccc(F)c(Cl)c3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237871 569465529 /nfs/dbraw/zinc/46/55/29/569465529.db2.gz CYICWRPPFJIXLK-UHFFFAOYSA-N 0 0 436.940 3.890 50 0 IHAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(=O)OCC ZINC000067238395 569465608 /nfs/dbraw/zinc/46/56/08/569465608.db2.gz OEXVXNHIJFQKGL-UHFFFAOYSA-N 0 0 442.541 3.741 50 0 IHAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)NCc1ccccc1 ZINC000038654173 569465800 /nfs/dbraw/zinc/46/58/00/569465800.db2.gz NRGFVSXRGGEVEA-UHFFFAOYSA-N 0 0 446.532 3.804 50 0 IHAARN O=C1CCCN1CCCn1c(=O)c2ccccc2nc1SCc1cc(F)cc(F)c1 ZINC000067258576 569466144 /nfs/dbraw/zinc/46/61/44/569466144.db2.gz VLEAIVFDSDBBJL-UHFFFAOYSA-N 0 0 429.492 3.980 50 0 IHAARN CN1c2ccc(Cl)cc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O ZINC000067260106 569466301 /nfs/dbraw/zinc/46/63/01/569466301.db2.gz ARCFQCJFEGUXIB-UHFFFAOYSA-N 0 0 447.925 3.957 50 0 IHAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000067288352 569467440 /nfs/dbraw/zinc/46/74/40/569467440.db2.gz HSADDVHSVPFWJW-UHFFFAOYSA-N 0 0 425.872 3.701 50 0 IHAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCCc4ccccc4)c3)n2)c1 ZINC000067289574 569467516 /nfs/dbraw/zinc/46/75/16/569467516.db2.gz AQHFKUPGHUUYKN-UHFFFAOYSA-N 0 0 428.492 3.623 50 0 IHAARN CC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1 ZINC000067289594 569467519 /nfs/dbraw/zinc/46/75/19/569467519.db2.gz LFNLCBWAHKOWGD-UHFFFAOYSA-N 0 0 428.448 3.715 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(OC)c(F)c1 ZINC000067290933 569467682 /nfs/dbraw/zinc/46/76/82/569467682.db2.gz CTFFVLQOSQAKKV-UHFFFAOYSA-N 0 0 445.516 3.702 50 0 IHAARN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[n-]c(=O)c2C1 ZINC000067291911 569467708 /nfs/dbraw/zinc/46/77/08/569467708.db2.gz WPBZNKDTMZCVKC-UHFFFAOYSA-N 0 0 426.464 3.700 50 0 IHAARN CCOc1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 ZINC000067317877 569468489 /nfs/dbraw/zinc/46/84/89/569468489.db2.gz CJALKDDDMSFWIA-UHFFFAOYSA-N 0 0 430.464 3.966 50 0 IHAARN COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1OC ZINC000067319384 569468523 /nfs/dbraw/zinc/46/85/23/569468523.db2.gz YNBREZQSQRPVJK-AWEZNQCLSA-N 0 0 444.557 3.601 50 0 IHAARN Cc1cc2nc(SCC(=O)NCc3ccccc3F)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319576 569468560 /nfs/dbraw/zinc/46/85/60/569468560.db2.gz NSKMJMIXGAMMBQ-UHFFFAOYSA-N 0 0 436.512 3.878 50 0 IHAARN Cc1ccc([C@@H](C)NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000067319622 569468582 /nfs/dbraw/zinc/46/85/82/569468582.db2.gz MPQJMZRNNOTNLS-GOSISDBHSA-N 0 0 447.564 3.845 50 0 IHAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2OC)c1C ZINC000067322148 569468664 /nfs/dbraw/zinc/46/86/64/569468664.db2.gz ZHATZPCRWXIAPS-UHFFFAOYSA-N 0 0 427.892 3.702 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000067323421 569468772 /nfs/dbraw/zinc/46/87/72/569468772.db2.gz VWHSADXYAXJHNP-UHFFFAOYSA-N 0 0 447.417 3.895 50 0 IHAARN CCOc1ccccc1-c1noc(-c2ccc3c(c2)[nH]c(=O)n(Cc2ccccc2)c3=O)n1 ZINC000067341495 569469039 /nfs/dbraw/zinc/46/90/39/569469039.db2.gz OCUZJFVNIKFGPI-UHFFFAOYSA-N 0 0 440.459 3.854 50 0 IHAARN Cc1cc(C)n2nc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nc2n1 ZINC000008621875 569469467 /nfs/dbraw/zinc/46/94/67/569469467.db2.gz KXGHOLBIDABRMC-INIZCTEOSA-N 0 0 429.933 3.708 50 0 IHAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2C1 ZINC000038944986 569469627 /nfs/dbraw/zinc/46/96/27/569469627.db2.gz HHPMNYKQLUQIOD-UHFFFAOYSA-N 0 0 428.510 3.792 50 0 IHAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000008661461 569469838 /nfs/dbraw/zinc/46/98/38/569469838.db2.gz YEMMZBVMRWFBQC-RPWUZVMVSA-N 0 0 434.536 3.799 50 0 IHAARN COc1ccc(-n2nnnc2SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000008704693 569470311 /nfs/dbraw/zinc/47/03/11/569470311.db2.gz XGFDHRKIUZKOQL-UHFFFAOYSA-N 0 0 445.504 3.898 50 0 IHAARN Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000008705734 569470434 /nfs/dbraw/zinc/47/04/34/569470434.db2.gz CSKCKZJMMCGAPD-VWLOTQADSA-N 0 0 447.560 3.824 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 ZINC000008707421 569470614 /nfs/dbraw/zinc/47/06/14/569470614.db2.gz RMMITGYKKLJSDN-QGZVFWFLSA-N 0 0 447.491 3.600 50 0 IHAARN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1-c1cc(C)ccc1C ZINC000008709577 569470831 /nfs/dbraw/zinc/47/08/31/569470831.db2.gz ASUQGQAOIYIFEM-KRWDZBQOSA-N 0 0 447.568 3.743 50 0 IHAARN COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008719104 569471363 /nfs/dbraw/zinc/47/13/63/569471363.db2.gz YFOLKIGUROWNRM-GKVSMKOHSA-N 0 0 437.540 3.669 50 0 IHAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC000008721215 569471677 /nfs/dbraw/zinc/47/16/77/569471677.db2.gz DENQTZYNBNFXJT-KRWDZBQOSA-N 0 0 439.589 3.646 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)CSc2nccn2-c2ccccc2C)cc1 ZINC000008724488 569472036 /nfs/dbraw/zinc/47/20/36/569472036.db2.gz QTYQPNRYQYJXQG-QGZVFWFLSA-N 0 0 439.537 3.530 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000008728341 569472388 /nfs/dbraw/zinc/47/23/88/569472388.db2.gz UMSNCVRVVBIZDW-QHCPKHFHSA-N 0 0 427.504 3.793 50 0 IHAARN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCC1 ZINC000008729288 569472448 /nfs/dbraw/zinc/47/24/48/569472448.db2.gz PHIKMAIBINNGEI-UHFFFAOYSA-N 0 0 449.960 3.716 50 0 IHAARN COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000008748537 569473249 /nfs/dbraw/zinc/47/32/49/569473249.db2.gz OOXTXDPXRPSZOM-UHFFFAOYSA-N 0 0 431.330 3.786 50 0 IHAARN O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000008768766 569475005 /nfs/dbraw/zinc/47/50/05/569475005.db2.gz ZUFTUVBRBRTPHY-UHFFFAOYSA-N 0 0 427.295 3.771 50 0 IHAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008774281 569475286 /nfs/dbraw/zinc/47/52/86/569475286.db2.gz XABQWTMQBWAVDW-QGZVFWFLSA-N 0 0 449.985 3.761 50 0 IHAARN Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000008772322 569475290 /nfs/dbraw/zinc/47/52/90/569475290.db2.gz ZOSRLCWSISIVHR-UHFFFAOYSA-N 0 0 438.505 3.948 50 0 IHAARN O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000008776957 569475390 /nfs/dbraw/zinc/47/53/90/569475390.db2.gz ARMVZEGWYNWXDR-UHFFFAOYSA-N 0 0 426.650 3.669 50 0 IHAARN Cc1c(O[C@H](C)C(=O)NCCCn2ccnc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000008789969 569475982 /nfs/dbraw/zinc/47/59/82/569475982.db2.gz ARKLPJSRNDBHEO-GOSISDBHSA-N 0 0 431.492 3.939 50 0 biogenic IHAARN COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c1 ZINC000008834556 569477981 /nfs/dbraw/zinc/47/79/81/569477981.db2.gz VPLXDXVYKOKAEI-UHFFFAOYSA-N 0 0 443.463 3.696 50 0 IHAARN COc1cc(NC(=O)NC[C@@H]2CN(c3cccc(Cl)c3)C(=O)O2)cc(OC)c1OC ZINC000008839552 569478317 /nfs/dbraw/zinc/47/83/17/569478317.db2.gz YCRUTPFINWBMMC-OAHLLOKOSA-N 0 0 435.864 3.513 50 0 IHAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008845451 569478834 /nfs/dbraw/zinc/47/88/34/569478834.db2.gz VZTWLHWQDFFNOC-QHCPKHFHSA-N 0 0 437.496 3.771 50 0 IHAARN COCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000008845399 569478838 /nfs/dbraw/zinc/47/88/38/569478838.db2.gz XYJYNKAXPJDLSJ-OAQYLSRUSA-N 0 0 443.887 3.650 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c2cccnc12 ZINC000008856175 569479727 /nfs/dbraw/zinc/47/97/27/569479727.db2.gz OBXKZGKJDIZPCZ-UHFFFAOYSA-N 0 0 439.537 3.591 50 0 IHAARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1Cl ZINC000008856566 569479824 /nfs/dbraw/zinc/47/98/24/569479824.db2.gz OWMULUSWLJRPAP-KRWDZBQOSA-N 0 0 425.934 3.938 50 0 IHAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008860818 569479955 /nfs/dbraw/zinc/47/99/55/569479955.db2.gz RNTYEZJPKFVVMH-UHFFFAOYSA-N 0 0 447.516 3.642 50 0 IHAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008861729 569480054 /nfs/dbraw/zinc/48/00/54/569480054.db2.gz BICQLRQIBCPQQH-AWEZNQCLSA-N 0 0 439.468 3.712 50 0 IHAARN COc1ccc(N2C[C@H](CNC(=O)NCc3cccc4ccccc43)OC2=O)cc1OC ZINC000008868442 569480376 /nfs/dbraw/zinc/48/03/76/569480376.db2.gz HVZYMIVMNRMDFQ-IBGZPJMESA-N 0 0 435.480 3.682 50 0 IHAARN NS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000039558238 569481720 /nfs/dbraw/zinc/48/17/20/569481720.db2.gz AILBGARCSQNRGD-UHFFFAOYSA-N 0 0 425.388 3.833 50 0 IHAARN CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000039563938 569481774 /nfs/dbraw/zinc/48/17/74/569481774.db2.gz GRPSIRQBMUYFPE-UHFFFAOYSA-N 0 0 429.586 3.680 50 0 IHAARN COc1ccc(C(=O)N[C@@H](C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)C(C)C)cc1 ZINC000039656648 569481828 /nfs/dbraw/zinc/48/18/28/569481828.db2.gz FKTIQGUASOCWQU-JOCHJYFZSA-N 0 0 437.492 3.916 50 0 IHAARN O=C(COCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000039969199 569482112 /nfs/dbraw/zinc/48/21/12/569482112.db2.gz VTRWJARSYNPBMI-UHFFFAOYSA-N 0 0 442.107 3.805 50 0 IHAARN COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)sc1-2 ZINC000039975825 569482137 /nfs/dbraw/zinc/48/21/37/569482137.db2.gz UPXRPUVFLLXKME-UHFFFAOYSA-N 0 0 428.535 3.730 50 0 IHAARN C[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000039996790 569482400 /nfs/dbraw/zinc/48/24/00/569482400.db2.gz ZUIFIPPGXBKNSW-UHFFFAOYSA-N 0 0 433.883 3.911 50 0 IHAARN COc1cc2c(cc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c3ccccc31)oc1ccccc12 ZINC000040009501 569482486 /nfs/dbraw/zinc/48/24/86/569482486.db2.gz XNNUZBNZHBWPIY-CYBMUJFWSA-N 0 0 449.488 3.660 50 0 IHAARN O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1 ZINC000040017849 569482629 /nfs/dbraw/zinc/48/26/29/569482629.db2.gz RPBMUVTWPBTKKB-LJQANCHMSA-N 0 0 425.554 3.948 50 0 IHAARN O=C(CCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040025008 569482785 /nfs/dbraw/zinc/48/27/85/569482785.db2.gz PKUFXQPWEUFDLE-UHFFFAOYSA-N 0 0 441.531 3.704 50 0 IHAARN CN(C)C(=O)COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000040039508 569483311 /nfs/dbraw/zinc/48/33/11/569483311.db2.gz PYNLTZRAHOKDES-UHFFFAOYSA-N 0 0 435.505 3.953 50 0 IHAARN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1nc(-c2cccnc2)no1 ZINC000040040818 569483538 /nfs/dbraw/zinc/48/35/38/569483538.db2.gz POIXJUAFJZMMFS-GFCCVEGCSA-N 0 0 443.916 3.995 50 0 IHAARN COc1ccc(OCc2nnc(SCc3nnc(C)o3)n2-c2ccccc2F)cc1 ZINC000008899713 569484094 /nfs/dbraw/zinc/48/40/94/569484094.db2.gz OIBRJVLMCNVZGS-UHFFFAOYSA-N 0 0 427.461 3.978 50 0 IHAARN Cc1ccc(C)c(-c2nn(CN(C)Cc3ccc(C(N)=O)cc3)c(=O)c3ccccc32)c1 ZINC000040061166 569484836 /nfs/dbraw/zinc/48/48/36/569484836.db2.gz KFUDWFHMAKSAQB-UHFFFAOYSA-N 0 0 426.520 3.869 50 0 IHAARN COCCNc1nn(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)c(=S)s1 ZINC000040061178 569484875 /nfs/dbraw/zinc/48/48/75/569484875.db2.gz FZAKTSWDVXRYSX-AWEZNQCLSA-N 0 0 428.027 3.722 50 0 IHAARN COc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008915149 569485515 /nfs/dbraw/zinc/48/55/15/569485515.db2.gz PHVAJCWFVMQZDY-IBGZPJMESA-N 0 0 427.522 3.508 50 0 IHAARN CCCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008915741 569485595 /nfs/dbraw/zinc/48/55/95/569485595.db2.gz KJJQXPWFGNOOHL-IBGZPJMESA-N 0 0 431.554 3.704 50 0 IHAARN Cc1cc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)no1 ZINC000040073925 569486217 /nfs/dbraw/zinc/48/62/17/569486217.db2.gz LQQCSOIXAWWWQV-UHFFFAOYSA-N 0 0 427.892 3.719 50 0 IHAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008919024 569486393 /nfs/dbraw/zinc/48/63/93/569486393.db2.gz CIUSDSIIEPFPOQ-AREMUKBSSA-N 0 0 447.487 3.720 50 0 IHAARN CCOC(=O)c1cc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc2s1 ZINC000040082380 569486687 /nfs/dbraw/zinc/48/66/87/569486687.db2.gz SCDINHBXEZQOKG-UHFFFAOYSA-N 0 0 443.525 3.661 50 0 IHAARN CC1=CC2=N[C@@](Cc3ccc(Br)cc3)(NC(=O)c3ccccc3)C(=O)N2C=C1 ZINC000008931967 569487609 /nfs/dbraw/zinc/48/76/09/569487609.db2.gz GLGSHOBOEMZLKB-QFIPXVFZSA-N 0 0 436.309 3.832 50 0 IHAARN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008941652 569488647 /nfs/dbraw/zinc/48/86/47/569488647.db2.gz DASLVQGSBHLLNC-CYBMUJFWSA-N 0 0 435.318 3.688 50 0 IHAARN CS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cc1 ZINC000040110680 569488757 /nfs/dbraw/zinc/48/87/57/569488757.db2.gz LKVJKSCQXXZXTA-UHFFFAOYSA-N 0 0 426.441 3.807 50 0 IHAARN CSc1nc2c(cnn2CCNC(=O)c2cccc3ccccc32)c(N2CCCC2)n1 ZINC000008946653 569489148 /nfs/dbraw/zinc/48/91/48/569489148.db2.gz AFZXMRVSORHJFY-UHFFFAOYSA-N 0 0 432.553 3.732 50 0 IHAARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O ZINC000040116844 569489279 /nfs/dbraw/zinc/48/92/79/569489279.db2.gz MLGPPFZDOCDAEP-FQEVSTJZSA-N 0 0 425.451 3.702 50 0 IHAARN C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000040116673 569489323 /nfs/dbraw/zinc/48/93/23/569489323.db2.gz IPTHYAQDAMPTGM-SFHVURJKSA-N 0 0 425.794 3.765 50 0 IHAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)c1nnnn1-c1ccccc1 ZINC000040127306 569489706 /nfs/dbraw/zinc/48/97/06/569489706.db2.gz MBPYHPFBQWYNCV-CYBMUJFWSA-N 0 0 427.921 3.877 50 0 IHAARN O=C(CCS(=O)(=O)C1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000040128995 569489815 /nfs/dbraw/zinc/48/98/15/569489815.db2.gz SLSQBYDUTKHBEU-UHFFFAOYSA-N 0 0 429.564 3.656 50 0 IHAARN COc1cc(OC)c(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1OC ZINC000040139109 569490826 /nfs/dbraw/zinc/49/08/26/569490826.db2.gz UKQDPWMGQNORMP-UHFFFAOYSA-N 0 0 447.919 3.664 50 0 IHAARN O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000008965731 569491498 /nfs/dbraw/zinc/49/14/98/569491498.db2.gz GKFHMXRNZLSQLD-UHFFFAOYSA-N 0 0 431.477 3.595 50 0 IHAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccn(-c2ccccc2F)n1 ZINC000040150157 569493186 /nfs/dbraw/zinc/49/31/86/569493186.db2.gz MTQWICKHBXODAJ-LBPRGKRZSA-N 0 0 436.256 3.997 50 0 IHAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)c2)n1 ZINC000040151987 569493342 /nfs/dbraw/zinc/49/33/42/569493342.db2.gz CXVYWQWTNOEWIR-UHFFFAOYSA-N 0 0 446.536 3.868 50 0 IHAARN COc1ccc(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1OC ZINC000040155250 569493863 /nfs/dbraw/zinc/49/38/63/569493863.db2.gz VIOMGVLOKDZGHR-UHFFFAOYSA-N 0 0 448.357 3.873 50 0 IHAARN CN(CCCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1F ZINC000040156988 569494222 /nfs/dbraw/zinc/49/42/22/569494222.db2.gz LVJHOVKBNFBAEL-UHFFFAOYSA-N 0 0 425.548 3.640 50 0 IHAARN COc1cccc(NC(=S)N2CCN(C(=S)Nc3cccc(OC)c3)[C@@H](C)C2)c1 ZINC000040161431 569495216 /nfs/dbraw/zinc/49/52/16/569495216.db2.gz MWAAZYZAYUOLHZ-HNNXBMFYSA-N 0 0 430.599 3.804 50 0 IHAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000008992254 569495395 /nfs/dbraw/zinc/49/53/95/569495395.db2.gz GTZJSVYDWGHYMA-HOTGVXAUSA-N 0 0 437.492 3.792 50 0 biogenic IHAARN COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000008993703 569495490 /nfs/dbraw/zinc/49/54/90/569495490.db2.gz CJHSZVNXWJOPER-FQEVSTJZSA-N 0 0 433.888 3.538 50 0 IHAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2Cl)CC1 ZINC000244955833 569496554 /nfs/dbraw/zinc/49/65/54/569496554.db2.gz GBRXYRQVRMZAHQ-UHFFFAOYSA-N 0 0 436.839 3.866 50 0 IHAARN O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000244970216 569496631 /nfs/dbraw/zinc/49/66/31/569496631.db2.gz HOHPZOXDUYAXOE-MRXNPFEDSA-N 0 0 442.899 3.543 50 0 IHAARN O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000244970215 569496637 /nfs/dbraw/zinc/49/66/37/569496637.db2.gz HOHPZOXDUYAXOE-INIZCTEOSA-N 0 0 442.899 3.543 50 0 IHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000245020843 569496985 /nfs/dbraw/zinc/49/69/85/569496985.db2.gz MJXDTPRSWQDOHZ-MRXNPFEDSA-N 0 0 438.427 3.975 50 0 IHAARN CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(OC)c(OC)c3)c(=O)n21 ZINC000009029135 569497009 /nfs/dbraw/zinc/49/70/09/569497009.db2.gz DLDCWJVLOGWWFI-UHFFFAOYSA-N 0 0 439.493 3.968 50 0 IHAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC(C)C ZINC000040268420 569497499 /nfs/dbraw/zinc/49/74/99/569497499.db2.gz MPZITJKGAMXOHO-INIZCTEOSA-N 0 0 447.499 3.785 50 0 IHAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000040268609 569497541 /nfs/dbraw/zinc/49/75/41/569497541.db2.gz ATGWAHWFXGRSNS-IBGZPJMESA-N 0 0 449.349 3.563 50 0 IHAARN O=C(NCCCN1CCCC1=O)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000009052451 569498745 /nfs/dbraw/zinc/49/87/45/569498745.db2.gz UCFFFWSOCMNHQC-UHFFFAOYSA-N 0 0 436.943 3.994 50 0 IHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009052570 569498749 /nfs/dbraw/zinc/49/87/49/569498749.db2.gz XUGBNKQSARVFSD-HNNXBMFYSA-N 0 0 429.567 3.914 50 0 IHAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009056854 569499130 /nfs/dbraw/zinc/49/91/30/569499130.db2.gz PRQFCFDYYWGCGJ-UHFFFAOYSA-N 0 0 435.505 3.786 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000009057951 569499188 /nfs/dbraw/zinc/49/91/88/569499188.db2.gz VPXPNJKCWRHERV-SFHVURJKSA-N 0 0 437.565 3.774 50 0 IHAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccccc4nc3C(=O)N2Cc2ccco2)[C@H]1C ZINC000245228490 569499742 /nfs/dbraw/zinc/49/97/42/569499742.db2.gz AHPKAUWVZNSKBX-UMZZSBATSA-N 0 0 434.540 3.985 50 0 IHAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000009077597 569500335 /nfs/dbraw/zinc/50/03/35/569500335.db2.gz ZZEFRUUZWKWCNT-UZYVYHOESA-N 0 0 425.293 3.932 50 0 IHAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245237698 569500463 /nfs/dbraw/zinc/50/04/63/569500463.db2.gz RVEDZZUDBQELOL-VKJFTORMSA-N 0 0 441.494 3.943 50 0 IHAARN COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(F)cc4)c(=O)n3n2)c1 ZINC000069321287 569500523 /nfs/dbraw/zinc/50/05/23/569500523.db2.gz OUUDUYLMXVACPU-UHFFFAOYSA-N 0 0 428.423 3.742 50 0 IHAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000009093676 569501221 /nfs/dbraw/zinc/50/12/21/569501221.db2.gz MFEABFBRASXIAD-UHFFFAOYSA-N 0 0 445.495 3.929 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094878 569501304 /nfs/dbraw/zinc/50/13/04/569501304.db2.gz YBSFIENUJYEZES-HXUWFJFHSA-N 0 0 444.940 3.877 50 0 IHAARN O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 ZINC000009100985 569501744 /nfs/dbraw/zinc/50/17/44/569501744.db2.gz HEOBGJJFJAQKJP-FQEVSTJZSA-N 0 0 427.451 3.697 50 0 IHAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 ZINC000009106838 569501829 /nfs/dbraw/zinc/50/18/29/569501829.db2.gz XSQCYCCDTYFOGK-SFHVURJKSA-N 0 0 439.555 3.689 50 0 IHAARN CCc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC(C)C)C(=O)CO3)cc1 ZINC000040411195 569502104 /nfs/dbraw/zinc/50/21/04/569502104.db2.gz DHONLLOPCHBNIH-UHFFFAOYSA-N 0 0 438.524 3.541 50 0 IHAARN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000069372448 569503225 /nfs/dbraw/zinc/50/32/25/569503225.db2.gz OLMQMOIYTQOTPY-SFHVURJKSA-N 0 0 430.277 3.773 50 0 IHAARN Cc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000040428107 569503231 /nfs/dbraw/zinc/50/32/31/569503231.db2.gz PWZRSMTXFMMKFV-UHFFFAOYSA-N 0 0 436.986 3.909 50 0 IHAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(Cl)cc1 ZINC000009118364 569503320 /nfs/dbraw/zinc/50/33/20/569503320.db2.gz CZJGEOQLTVWYBH-UHFFFAOYSA-N 0 0 443.956 3.884 50 0 IHAARN CCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1 ZINC000245326995 569503702 /nfs/dbraw/zinc/50/37/02/569503702.db2.gz HRMRASBWPGZQAK-VQTJNVASSA-N 0 0 438.952 3.800 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000009120300 569503814 /nfs/dbraw/zinc/50/38/14/569503814.db2.gz QQYCTZKAMWMWAE-UHFFFAOYSA-N 0 0 444.336 3.956 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000009126025 569504794 /nfs/dbraw/zinc/50/47/94/569504794.db2.gz UZRUCVLGWLUFDQ-HXUWFJFHSA-N 0 0 448.523 3.911 50 0 IHAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000009126707 569505006 /nfs/dbraw/zinc/50/50/06/569505006.db2.gz OJIZKDRSZGBEAK-UHFFFAOYSA-N 0 0 449.536 3.755 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3nnc(-c4ccccc4C)n3)[C@@H](c3ccco3)C2)cc1 ZINC000009127746 569505247 /nfs/dbraw/zinc/50/52/47/569505247.db2.gz KJSPLBITKVEIRH-OAQYLSRUSA-N 0 0 426.480 3.928 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc3nc(C)cc(C)n31)CCCCC2 ZINC000009127985 569505351 /nfs/dbraw/zinc/50/53/51/569505351.db2.gz GLZIVRDLMKTNSS-UHFFFAOYSA-N 0 0 445.570 3.589 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000009128444 569505410 /nfs/dbraw/zinc/50/54/10/569505410.db2.gz DNKXIHPALZSUOK-UHFFFAOYSA-N 0 0 430.526 3.663 50 0 IHAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1Cc1ccco1 ZINC000009129349 569505717 /nfs/dbraw/zinc/50/57/17/569505717.db2.gz QMOMYSQRRPKUHC-QHCPKHFHSA-N 0 0 437.521 3.774 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1 ZINC000009129262 569505726 /nfs/dbraw/zinc/50/57/26/569505726.db2.gz FJEJGTRWVCEKLJ-UHFFFAOYSA-N 0 0 427.425 3.939 50 0 IHAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009132157 569506912 /nfs/dbraw/zinc/50/69/12/569506912.db2.gz KIBLNFSJPVDNHH-INIZCTEOSA-N 0 0 435.505 3.779 50 0 IHAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 ZINC000009131613 569506945 /nfs/dbraw/zinc/50/69/45/569506945.db2.gz SHONGUMZEZWPRQ-MRXNPFEDSA-N 0 0 439.468 3.990 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009138241 569507158 /nfs/dbraw/zinc/50/71/58/569507158.db2.gz IPGLGBLDPZFALY-UHFFFAOYSA-N 0 0 431.945 3.578 50 0 IHAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)c(OC)c1)n2CC ZINC000009138796 569507195 /nfs/dbraw/zinc/50/71/95/569507195.db2.gz RUDJDLSMHMYCTO-UHFFFAOYSA-N 0 0 443.525 3.981 50 0 IHAARN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)nc2N)cc1 ZINC000009152148 569507745 /nfs/dbraw/zinc/50/77/45/569507745.db2.gz HRXYLYQNNSDOLE-UHFFFAOYSA-N 0 0 442.566 3.548 50 0 IHAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009152763 569507876 /nfs/dbraw/zinc/50/78/76/569507876.db2.gz UVUZLGXHTHDIBX-VXGBXAGGSA-N 0 0 438.958 3.964 50 0 IHAARN Cc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1F ZINC000009152877 569507946 /nfs/dbraw/zinc/50/79/46/569507946.db2.gz UZFMLFMPCLMHMX-CHWSQXEVSA-N 0 0 436.530 3.758 50 0 IHAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1 ZINC000009153204 569507996 /nfs/dbraw/zinc/50/79/96/569507996.db2.gz IMLOWZJKJHHMQZ-UHFFFAOYSA-N 0 0 447.516 3.557 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 ZINC000009157104 569508412 /nfs/dbraw/zinc/50/84/12/569508412.db2.gz WVIRALMKVZHDJW-UHFFFAOYSA-N 0 0 432.571 3.530 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2OCC(C)(C)C1=O ZINC000009167608 569508984 /nfs/dbraw/zinc/50/89/84/569508984.db2.gz UXJDASBYBNOCLA-UHFFFAOYSA-N 0 0 436.505 3.797 50 0 IHAARN O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000009171396 569509410 /nfs/dbraw/zinc/50/94/10/569509410.db2.gz FOZNRUBLBFCBPO-KRWDZBQOSA-N 0 0 449.985 3.529 50 0 IHAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173653 569509667 /nfs/dbraw/zinc/50/96/67/569509667.db2.gz FRXSHFFBKWCHGD-UHFFFAOYSA-N 0 0 431.514 3.583 50 0 IHAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000009180863 569509785 /nfs/dbraw/zinc/50/97/85/569509785.db2.gz GYODCSONNXFPAS-UHFFFAOYSA-N 0 0 441.886 3.917 50 0 IHAARN Cc1ccc(Nc2nc(Oc3ccc(=O)n(-c4ccccc4)n3)nc(N(C)C)n2)cc1C ZINC000009185209 569510048 /nfs/dbraw/zinc/51/00/48/569510048.db2.gz GNDOTUYDWAPMQN-UHFFFAOYSA-N 0 0 429.484 3.636 50 0 IHAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1OC ZINC000009186661 569510236 /nfs/dbraw/zinc/51/02/36/569510236.db2.gz IHUCTIGFIGRWBE-INIZCTEOSA-N 0 0 438.347 3.945 50 0 IHAARN Cc1ccccc1NC(=O)Cn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000009193568 569510874 /nfs/dbraw/zinc/51/08/74/569510874.db2.gz RRHCUSZBLYDXNR-UHFFFAOYSA-N 0 0 434.521 3.805 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1Cl ZINC000009193462 569510896 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0 IHAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000009212155 569511976 /nfs/dbraw/zinc/51/19/76/569511976.db2.gz LWIZQCLTSXBCGW-UHFFFAOYSA-N 0 0 447.516 3.949 50 0 IHAARN CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccccc1 ZINC000009216168 569512129 /nfs/dbraw/zinc/51/21/29/569512129.db2.gz KFOUIBDGPFVYRA-LJQANCHMSA-N 0 0 428.448 3.858 50 0 IHAARN COc1ccc2nc(NC(=O)[C@@H](CCSC)NC(=O)COc3ccccc3)sc2c1 ZINC000009218628 569512364 /nfs/dbraw/zinc/51/23/64/569512364.db2.gz DGFVSYDAMAFZJE-QGZVFWFLSA-N 0 0 445.566 3.560 50 0 IHAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N(c1ccccc1)C1CCCCC1 ZINC000009218850 569512442 /nfs/dbraw/zinc/51/24/42/569512442.db2.gz UECUYOSVTTVJRW-UHFFFAOYSA-N 0 0 427.508 3.948 50 0 IHAARN CCSc1nnc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)s1 ZINC000009218734 569512443 /nfs/dbraw/zinc/51/24/43/569512443.db2.gz CHMKFLLWIVKNRR-UHFFFAOYSA-N 0 0 426.523 3.818 50 0 IHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009223260 569512911 /nfs/dbraw/zinc/51/29/11/569512911.db2.gz YPRKIKWFQNKUFU-LJQANCHMSA-N 0 0 445.519 3.689 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000009224001 569513041 /nfs/dbraw/zinc/51/30/41/569513041.db2.gz UIDVPTGRHWOBOO-UHFFFAOYSA-N 0 0 445.566 3.847 50 0 IHAARN Cc1cccc(C)c1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000009226348 569513303 /nfs/dbraw/zinc/51/33/03/569513303.db2.gz BRMYDBOYOGWNND-LSDHHAIUSA-N 0 0 432.567 3.785 50 0 IHAARN COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 ZINC000009238861 569514390 /nfs/dbraw/zinc/51/43/90/569514390.db2.gz ABUSZXOLQFQYOF-WOJBJXKFSA-N 0 0 447.520 3.622 50 0 IHAARN O=C(CSc1nnc2ccc(-c3cccnc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000009241417 569514723 /nfs/dbraw/zinc/51/47/23/569514723.db2.gz OTOXXJYCOZJZHX-UHFFFAOYSA-N 0 0 430.415 3.936 50 0 IHAARN O=C(OCc1nc2c3ccccc3oc2c(=O)[nH]1)C(O)(c1ccccc1)c1ccccc1 ZINC000009245324 569515276 /nfs/dbraw/zinc/51/52/76/569515276.db2.gz SKWSBSWBCWGNGN-UHFFFAOYSA-N 0 0 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ZINC000009317437 569522359 /nfs/dbraw/zinc/52/23/59/569522359.db2.gz KJDRNYKAXZSMLA-UHFFFAOYSA-N 0 0 444.793 3.965 50 0 IHAARN Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1nc[nH]n1 ZINC000009336611 569523455 /nfs/dbraw/zinc/52/34/55/569523455.db2.gz LHAUFGSJKXTGHW-CYBMUJFWSA-N 0 0 442.476 3.849 50 0 IHAARN CCOC(=O)c1c(C)c(C)n(Cc2cccs2)c1NC(=O)COC(=O)c1ccco1 ZINC000009337702 569523565 /nfs/dbraw/zinc/52/35/65/569523565.db2.gz VLTSFGSDWBDLBD-UHFFFAOYSA-N 0 0 430.482 3.780 50 0 IHAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3Cc2ccc(F)cc2)CO1 ZINC000009344422 569524044 /nfs/dbraw/zinc/52/40/44/569524044.db2.gz CFRSMLKCXYLCJE-UHFFFAOYSA-N 0 0 437.496 3.648 50 0 IHAARN COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009345195 569524106 /nfs/dbraw/zinc/52/41/06/569524106.db2.gz FKSUJFOKSWIKOM-GOSISDBHSA-N 0 0 427.522 3.888 50 0 IHAARN COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)c(OC)c1 ZINC000009364078 569526003 /nfs/dbraw/zinc/52/60/03/569526003.db2.gz 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ZINC000070012691 569528503 /nfs/dbraw/zinc/52/85/03/569528503.db2.gz SMSOCNIRGXPBPJ-UHFFFAOYSA-N 0 0 436.459 3.709 50 0 IHAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009387936 569528535 /nfs/dbraw/zinc/52/85/35/569528535.db2.gz CBXKOHCOJNDAIA-UHFFFAOYSA-N 0 0 443.503 3.761 50 0 IHAARN CCOc1ccc2nc(NC(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)sc2c1 ZINC000070014864 569528545 /nfs/dbraw/zinc/52/85/45/569528545.db2.gz GKKLLFHSMMZKBM-UHFFFAOYSA-N 0 0 430.530 3.524 50 0 IHAARN CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000009391061 569528860 /nfs/dbraw/zinc/52/88/60/569528860.db2.gz KSKAFPNLVDEWJE-UHFFFAOYSA-N 0 0 440.550 3.871 50 0 IHAARN CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccco3)C2)c1 ZINC000009392198 569529066 /nfs/dbraw/zinc/52/90/66/569529066.db2.gz KQZVXXKRXKHSEI-IBGZPJMESA-N 0 0 427.457 3.782 50 0 IHAARN COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 ZINC000009392192 569529113 /nfs/dbraw/zinc/52/91/13/569529113.db2.gz 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CCOc1cc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000009408918 569530756 /nfs/dbraw/zinc/53/07/56/569530756.db2.gz ZIMZOJXVKKUDFO-WNSKOXEYSA-N 0 0 435.480 3.611 50 0 IHAARN C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009411835 569531556 /nfs/dbraw/zinc/53/15/56/569531556.db2.gz DOXZFYWANCGAOT-CQSZACIVSA-N 0 0 441.475 3.929 50 0 IHAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000009412835 569531632 /nfs/dbraw/zinc/53/16/32/569531632.db2.gz GJXKIWDOFCLCHN-IBGZPJMESA-N 0 0 435.249 3.674 50 0 IHAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000009413455 569531745 /nfs/dbraw/zinc/53/17/45/569531745.db2.gz KSIYZHWVBSMMIL-LJQANCHMSA-N 0 0 442.585 3.562 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 ZINC000009415053 569532145 /nfs/dbraw/zinc/53/21/45/569532145.db2.gz DDHZKGNTVAFVQV-UHFFFAOYSA-N 0 0 436.472 3.620 50 0 IHAARN COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(F)cc4)nn32)cc1OC ZINC000009415403 569532224 /nfs/dbraw/zinc/53/22/24/569532224.db2.gz HYBWBVGIDUFVHK-UHFFFAOYSA-N 0 0 439.472 3.678 50 0 IHAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c3=O)cc1C ZINC000009416552 569532318 /nfs/dbraw/zinc/53/23/18/569532318.db2.gz UNJVGGUISBTAMZ-UHFFFAOYSA-N 0 0 441.413 3.857 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009416791 569532363 /nfs/dbraw/zinc/53/23/63/569532363.db2.gz YHDPPYCQJKTCLW-UHFFFAOYSA-N 0 0 437.588 3.542 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009417680 569532408 /nfs/dbraw/zinc/53/24/08/569532408.db2.gz RRVJKALVEZOEJY-UHFFFAOYSA-N 0 0 443.507 3.870 50 0 IHAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009419009 569532495 /nfs/dbraw/zinc/53/24/95/569532495.db2.gz PMVAPMFIEZMHPV-KRWDZBQOSA-N 0 0 436.295 3.841 50 0 IHAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)cc1 ZINC000009421690 569532772 /nfs/dbraw/zinc/53/27/72/569532772.db2.gz LNLFSWHKAVAWIP-UHFFFAOYSA-N 0 0 449.536 3.990 50 0 IHAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009427710 569533413 /nfs/dbraw/zinc/53/34/13/569533413.db2.gz JRVAOFQTMWJHTI-UHFFFAOYSA-N 0 0 427.416 3.991 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N(CC)c3ccccc3)cc2NC1=O ZINC000009430020 569533823 /nfs/dbraw/zinc/53/38/23/569533823.db2.gz WPYVESLIKHPRIR-GOSISDBHSA-N 0 0 432.567 3.726 50 0 IHAARN CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cc(F)ccc3F)cc2NC1=O ZINC000009429948 569533843 /nfs/dbraw/zinc/53/38/43/569533843.db2.gz VGDALGRZLXQASA-MRXNPFEDSA-N 0 0 440.493 3.590 50 0 IHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CC)S2 ZINC000009430214 569533951 /nfs/dbraw/zinc/53/39/51/569533951.db2.gz PTSYZUSYOGUYET-GOSISDBHSA-N 0 0 448.566 3.711 50 0 IHAARN Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2s1 ZINC000009440164 569535172 /nfs/dbraw/zinc/53/51/72/569535172.db2.gz LDNAEJSIUPQGLT-UHFFFAOYSA-N 0 0 433.530 3.783 50 0 IHAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000009441368 569535353 /nfs/dbraw/zinc/53/53/53/569535353.db2.gz UAAZODLOVPWVQC-SFHVURJKSA-N 0 0 446.301 3.733 50 0 IHAARN CCn1nnc2cc(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000009442508 569535530 /nfs/dbraw/zinc/53/55/30/569535530.db2.gz OSFXOGNQWTUZSA-UHFFFAOYSA-N 0 0 428.492 3.837 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C ZINC000009453787 569536654 /nfs/dbraw/zinc/53/66/54/569536654.db2.gz INPITBQTRGNPKE-LJQANCHMSA-N 0 0 443.594 3.945 50 0 IHAARN CCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009459818 569536862 /nfs/dbraw/zinc/53/68/62/569536862.db2.gz LVEYDWIQFNMLGY-HXUWFJFHSA-N 0 0 431.554 3.704 50 0 IHAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cncn2-c2ccccc2)c1C ZINC000009463356 569537401 /nfs/dbraw/zinc/53/74/01/569537401.db2.gz WFQPPLZFGTYBQL-NRFANRHFSA-N 0 0 432.524 3.749 50 0 IHAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009467777 569538462 /nfs/dbraw/zinc/53/84/62/569538462.db2.gz CAKQOFULSFIFCQ-UHFFFAOYSA-N 0 0 431.514 3.986 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009478433 569539364 /nfs/dbraw/zinc/53/93/64/569539364.db2.gz QOCBXDQDYBSXRK-ZLOXQWCVSA-N 0 0 441.915 3.632 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)n(-c2ccccc2)n1 ZINC000009480953 569539409 /nfs/dbraw/zinc/53/94/09/569539409.db2.gz XYUGEQSAELGCPQ-SFHVURJKSA-N 0 0 449.492 3.807 50 0 IHAARN COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000009480122 569539427 /nfs/dbraw/zinc/53/94/27/569539427.db2.gz VHLWVUYEBDYEGG-SNVBAGLBSA-N 0 0 427.787 3.912 50 0 IHAARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(OCC)ccc1OCC)c1ccc(C)cc1 ZINC000009489390 569539985 /nfs/dbraw/zinc/53/99/85/569539985.db2.gz RNIAVFSNBKXXBK-IBGZPJMESA-N 0 0 435.542 3.765 50 0 IHAARN Cc1csc(N(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2)n1 ZINC000009491418 569540320 /nfs/dbraw/zinc/54/03/20/569540320.db2.gz JMNNHFKJOBRMOY-INIZCTEOSA-N 0 0 435.505 3.941 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000009491432 569540376 /nfs/dbraw/zinc/54/03/76/569540376.db2.gz MEDMVSNHCROBSG-UHFFFAOYSA-N 0 0 430.448 3.997 50 0 IHAARN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000009492277 569540583 /nfs/dbraw/zinc/54/05/83/569540583.db2.gz DFRJQWNPPCYYOW-UHFFFAOYSA-N 0 0 442.581 3.575 50 0 IHAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)CC1)C(c1ccccc1)c1ccccc1 ZINC000009493554 569540737 /nfs/dbraw/zinc/54/07/37/569540737.db2.gz ZCBCDKSYFABXOM-VWLOTQADSA-N 0 0 440.543 3.738 50 0 IHAARN COc1ccc(Cc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)o2)cc1 ZINC000009495392 569541058 /nfs/dbraw/zinc/54/10/58/569541058.db2.gz ASQKVNSFSNJAQV-AWEZNQCLSA-N 0 0 438.509 3.525 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000009498038 569541307 /nfs/dbraw/zinc/54/13/07/569541307.db2.gz AOZPETHWAAQRAF-UHFFFAOYSA-N 0 0 427.865 3.978 50 0 IHAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 ZINC000009499863 569541490 /nfs/dbraw/zinc/54/14/90/569541490.db2.gz BNTWXXRQAIHRFR-UHFFFAOYSA-N 0 0 426.567 3.876 50 0 IHAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 ZINC000009500434 569541552 /nfs/dbraw/zinc/54/15/52/569541552.db2.gz VCKITDYRWPUQDN-OAHLLOKOSA-N 0 0 437.447 3.882 50 0 IHAARN COc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2)cc1Cl ZINC000009507266 569542001 /nfs/dbraw/zinc/54/20/01/569542001.db2.gz NULWJIJFWFOIPJ-UHFFFAOYSA-N 0 0 442.928 3.837 50 0 IHAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009514421 569543215 /nfs/dbraw/zinc/54/32/15/569543215.db2.gz UYQBWWQNBNEZNU-UHFFFAOYSA-N 0 0 435.505 3.632 50 0 IHAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc2c(c1)NC(=O)CS2 ZINC000009514466 569543225 /nfs/dbraw/zinc/54/32/25/569543225.db2.gz UWRUVNFLKBDXNV-UHFFFAOYSA-N 0 0 436.518 3.991 50 0 IHAARN Cc1csc(CC(=O)N2CCN(C(=O)COc3ccc(Cl)c4ccccc34)CC2)n1 ZINC000009516918 569543597 /nfs/dbraw/zinc/54/35/97/569543597.db2.gz UTJPZPGTAUSMPX-UHFFFAOYSA-N 0 0 443.956 3.550 50 0 IHAARN Cc1cc2cc(CNC(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)ccc2[nH]1 ZINC000009518882 569544174 /nfs/dbraw/zinc/54/41/74/569544174.db2.gz RSXASRKDCLYRLK-UHFFFAOYSA-N 0 0 442.519 3.553 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000009518875 569544196 /nfs/dbraw/zinc/54/41/96/569544196.db2.gz SHIPBLMWFUTOEJ-UHFFFAOYSA-N 0 0 439.899 3.747 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 ZINC000009530121 569544975 /nfs/dbraw/zinc/54/49/75/569544975.db2.gz QVRQOKDBTAAEFC-DLBZAZTESA-N 0 0 435.958 3.581 50 0 IHAARN CSc1nnc(CCCNC(=O)c2cc(=O)c3cc(C)ccc3o2)n1C1CCCC1 ZINC000009533050 569545429 /nfs/dbraw/zinc/54/54/29/569545429.db2.gz WXGCBVADRPLJTC-UHFFFAOYSA-N 0 0 426.542 3.893 50 0 IHAARN O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)NC1CCCCCC1 ZINC000009540539 569545864 /nfs/dbraw/zinc/54/58/64/569545864.db2.gz KMHCZNHHUSTUTR-QHCPKHFHSA-N 0 0 434.536 3.636 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000009547929 569546435 /nfs/dbraw/zinc/54/64/35/569546435.db2.gz DQKODLIQUMEHNP-UHFFFAOYSA-N 0 0 440.297 3.870 50 0 IHAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc(=O)c2ccccc2o1 ZINC000009562753 569547309 /nfs/dbraw/zinc/54/73/09/569547309.db2.gz LZQWRDSSKCIDGA-UHFFFAOYSA-N 0 0 446.912 3.873 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)NC[C@H]1CCCO1 ZINC000009568871 569547433 /nfs/dbraw/zinc/54/74/33/569547433.db2.gz AHVZRTOQVTZULT-QGZVFWFLSA-N 0 0 446.956 3.564 50 0 IHAARN Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)c1 ZINC000009569090 569547559 /nfs/dbraw/zinc/54/75/59/569547559.db2.gz MNRWQKBVSDGQPE-UHFFFAOYSA-N 0 0 439.928 3.717 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(Cl)cc1 ZINC000009569575 569547580 /nfs/dbraw/zinc/54/75/80/569547580.db2.gz ZILGOCOHQZUNFK-UHFFFAOYSA-N 0 0 436.921 3.771 50 0 IHAARN CN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000009579918 569548643 /nfs/dbraw/zinc/54/86/43/569548643.db2.gz DYMQYLOOZAGAME-KBMIEXCESA-N 0 0 431.492 3.736 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)OCn3nnc4ccccc4c3=O)c2oc1-c1ccccc1 ZINC000009579996 569548681 /nfs/dbraw/zinc/54/86/81/569548681.db2.gz SYTOMTPNLSWOJS-UHFFFAOYSA-N 0 0 439.427 3.688 50 0 IHAARN Cc1cc(S(=O)(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c(Cl)cc1Cl ZINC000070638458 569549037 /nfs/dbraw/zinc/54/90/37/569549037.db2.gz ATVUZUWAQUTGBN-UHFFFAOYSA-N 0 0 446.381 3.854 50 0 IHAARN Cc1ccc(NC(=O)CN(c2ccnn2C(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000009582505 569549231 /nfs/dbraw/zinc/54/92/31/569549231.db2.gz CXDOOPCIGACXED-UHFFFAOYSA-N 0 0 426.542 3.915 50 0 IHAARN COc1ccc([C@@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)cc1OC(C)=O ZINC000009586230 569549682 /nfs/dbraw/zinc/54/96/82/569549682.db2.gz PREOCOJGFRFMBM-IBGZPJMESA-N 0 0 433.258 3.622 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000009591898 569550217 /nfs/dbraw/zinc/55/02/17/569550217.db2.gz HBSYJAYRMYIYAN-UHFFFAOYSA-N 0 0 440.503 3.790 50 0 IHAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000009593963 569550531 /nfs/dbraw/zinc/55/05/31/569550531.db2.gz UYBUAWCLIDBNKF-UXHICEINSA-N 0 0 431.521 3.922 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(NCc3ccco3)s2)n1 ZINC000009593865 569550536 /nfs/dbraw/zinc/55/05/36/569550536.db2.gz VXYMIOJABHLCBG-UHFFFAOYSA-N 0 0 426.531 3.855 50 0 IHAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 ZINC000009597046 569550800 /nfs/dbraw/zinc/55/08/00/569550800.db2.gz QAZSBLDUSPKPJB-UHFFFAOYSA-N 0 0 449.303 3.926 50 0 IHAARN Cc1cccc(Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccccc3)c2=O)c1 ZINC000009598955 569551124 /nfs/dbraw/zinc/55/11/24/569551124.db2.gz CUXOMCVXKDJJLW-UHFFFAOYSA-N 0 0 447.560 3.678 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccccn2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 ZINC000009601975 569551664 /nfs/dbraw/zinc/55/16/64/569551664.db2.gz ZAOIXYRVHLSEPD-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccncc1 ZINC000009602038 569551673 /nfs/dbraw/zinc/55/16/73/569551673.db2.gz HOAHYVCWNCPCGZ-HXUWFJFHSA-N 0 0 428.452 3.869 50 0 IHAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000009602518 569551712 /nfs/dbraw/zinc/55/17/12/569551712.db2.gz ZUMXEDNOIQXZHY-BKMJKUGQSA-N 0 0 427.504 3.801 50 0 IHAARN NC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000009609350 569552299 /nfs/dbraw/zinc/55/22/99/569552299.db2.gz QQHZJAOFGKXPKO-IBGZPJMESA-N 0 0 449.561 3.948 50 0 IHAARN COc1ccc(N2Cc3cccc(C(=O)NCCc4ccc(OC)cc4OC)c3C2=O)cc1 ZINC000009609939 569552462 /nfs/dbraw/zinc/55/24/62/569552462.db2.gz JLELWNZEBSTZCF-UHFFFAOYSA-N 0 0 446.503 3.845 50 0 biogenic IHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc3cccs3)cc2s1 ZINC000009610903 569552689 /nfs/dbraw/zinc/55/26/89/569552689.db2.gz MTWAQNSCAONQQI-KRWDZBQOSA-N 0 0 437.612 3.676 50 0 IHAARN COc1ccc(OC)c(CNC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1 ZINC000009611540 569552759 /nfs/dbraw/zinc/55/27/59/569552759.db2.gz LONCFCBECIOVIK-UHFFFAOYSA-N 0 0 436.537 3.807 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000009614158 569553057 /nfs/dbraw/zinc/55/30/57/569553057.db2.gz MBZGFSIBUODKMY-UHFFFAOYSA-N 0 0 437.525 3.889 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 ZINC000009626112 569553565 /nfs/dbraw/zinc/55/35/65/569553565.db2.gz KMUYSUBSQRWKSL-UHFFFAOYSA-N 0 0 445.545 3.746 50 0 IHAARN O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1c2ccccc2Oc2ccccc21 ZINC000009630572 569553655 /nfs/dbraw/zinc/55/36/55/569553655.db2.gz ZIGOEUXUOPGGSO-MRXNPFEDSA-N 0 0 442.471 3.617 50 0 IHAARN Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1Cc1ccco1 ZINC000009631068 569553731 /nfs/dbraw/zinc/55/37/31/569553731.db2.gz ISLUQGZTZMHYQL-UHFFFAOYSA-N 0 0 433.464 3.655 50 0 IHAARN Cn1ccnc1[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000009637878 569554925 /nfs/dbraw/zinc/55/49/25/569554925.db2.gz RJQKJWGYAAWRHL-XMMPIXPASA-N 0 0 425.488 3.936 50 0 IHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)=O)cc3)c2C(=O)OC)C1 ZINC000009639043 569555077 /nfs/dbraw/zinc/55/50/77/569555077.db2.gz ASEVCFBUKIHRSO-UHFFFAOYSA-N 0 0 430.482 3.504 50 0 IHAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009639374 569555141 /nfs/dbraw/zinc/55/51/41/569555141.db2.gz KAQYXCLMNRSAJW-NRFANRHFSA-N 0 0 434.517 3.692 50 0 IHAARN CCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 ZINC000009640966 569555532 /nfs/dbraw/zinc/55/55/32/569555532.db2.gz CNFKTWYLEGCIOS-UHFFFAOYSA-N 0 0 427.530 3.506 50 0 IHAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)N1CCC2(CC1)OCCO2 ZINC000009642961 569555884 /nfs/dbraw/zinc/55/58/84/569555884.db2.gz NDCPWOFLODGGMZ-UHFFFAOYSA-N 0 0 449.551 3.969 50 0 biogenic IHAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000009646017 569556186 /nfs/dbraw/zinc/55/61/86/569556186.db2.gz OUKJRMLZUNGCOL-LBPRGKRZSA-N 0 0 442.566 3.649 50 0 IHAARN Nc1nc(N)nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)n1 ZINC000009645852 569556231 /nfs/dbraw/zinc/55/62/31/569556231.db2.gz WTXRRWFDCZHOEC-UHFFFAOYSA-N 0 0 431.447 3.745 50 0 IHAARN CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 ZINC000009647574 569556454 /nfs/dbraw/zinc/55/64/54/569556454.db2.gz SMPDSUJLCHAFTL-ZSOFBXJNSA-N 0 0 436.350 3.517 50 0 IHAARN CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 ZINC000009647571 569556458 /nfs/dbraw/zinc/55/64/58/569556458.db2.gz SMPDSUJLCHAFTL-RISOHXOYSA-N 0 0 436.350 3.517 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000009659198 569556614 /nfs/dbraw/zinc/55/66/14/569556614.db2.gz VSFXCMHOQHHSAY-UHFFFAOYSA-N 0 0 441.509 3.911 50 0 IHAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000009660334 569556759 /nfs/dbraw/zinc/55/67/59/569556759.db2.gz VNTGUSAOUBWUGC-UHFFFAOYSA-N 0 0 425.313 3.790 50 0 IHAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1C ZINC000009660336 569556784 /nfs/dbraw/zinc/55/67/84/569556784.db2.gz MOFWFHGKGNZRDS-UHFFFAOYSA-N 0 0 432.249 3.703 50 0 IHAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000009660367 569556792 /nfs/dbraw/zinc/55/67/92/569556792.db2.gz PCJRLJUPAYCVKN-UHFFFAOYSA-N 0 0 429.908 3.666 50 0 IHAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661209 569557022 /nfs/dbraw/zinc/55/70/22/569557022.db2.gz DONAMHJSIPQIIT-UHFFFAOYSA-N 0 0 449.396 3.979 50 0 IHAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O ZINC000009663362 569557172 /nfs/dbraw/zinc/55/71/72/569557172.db2.gz UXKQQTOBHDLWHI-VWLOTQADSA-N 0 0 430.460 3.651 50 0 IHAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009662849 569557196 /nfs/dbraw/zinc/55/71/96/569557196.db2.gz LGBIXWVYWOMKKK-UHFFFAOYSA-N 0 0 430.851 3.718 50 0 IHAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000009665042 569557545 /nfs/dbraw/zinc/55/75/45/569557545.db2.gz QWOBYFIOFGMOAH-GFCCVEGCSA-N 0 0 432.527 3.809 50 0 IHAARN CC1(C)NC(=O)N(CCCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O ZINC000009666876 569557789 /nfs/dbraw/zinc/55/77/89/569557789.db2.gz XGRNDFXHVGOJCE-UHFFFAOYSA-N 0 0 426.542 3.738 50 0 IHAARN O=C(CSc1ccc2ccccc2c1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009666786 569557795 /nfs/dbraw/zinc/55/77/95/569557795.db2.gz YFPJHKFSQJQVJQ-HSZRJFAPSA-N 0 0 448.544 3.585 50 0 IHAARN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCC1 ZINC000009667895 569557830 /nfs/dbraw/zinc/55/78/30/569557830.db2.gz BDHSISXSQWWVLH-UHFFFAOYSA-N 0 0 442.459 3.944 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1Cl ZINC000009669062 569558032 /nfs/dbraw/zinc/55/80/32/569558032.db2.gz LDKUNQSJYGKPFH-UHFFFAOYSA-N 0 0 445.928 3.539 50 0 IHAARN Nc1nc(COC(=O)c2cccc(NC(=O)c3cccs3)c2)nc(Nc2ccccc2)n1 ZINC000009669486 569558065 /nfs/dbraw/zinc/55/80/65/569558065.db2.gz CSRLCEMJBDLUAL-UHFFFAOYSA-N 0 0 446.492 3.868 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000009669986 569558244 /nfs/dbraw/zinc/55/82/44/569558244.db2.gz DUWSVSLEIMWRLI-ZDUSSCGKSA-N 0 0 429.567 3.556 50 0 IHAARN COc1cc(OC)c(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)cc1Cl ZINC000009671229 569558526 /nfs/dbraw/zinc/55/85/26/569558526.db2.gz NDWLVKBUCGFKSD-WCQYABFASA-N 0 0 438.858 3.866 50 0 IHAARN O=C(NCc1cccs1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009671395 569558572 /nfs/dbraw/zinc/55/85/72/569558572.db2.gz DSEJFKFNIPPCKC-UHFFFAOYSA-N 0 0 444.534 3.640 50 0 IHAARN Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)cc2s1 ZINC000009683333 569560388 /nfs/dbraw/zinc/56/03/88/569560388.db2.gz DQJBGJJLMALORK-UHFFFAOYSA-N 0 0 443.594 3.854 50 0 IHAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)n1 ZINC000009684604 569560590 /nfs/dbraw/zinc/56/05/90/569560590.db2.gz KVWRRKXFXAWMBR-UHFFFAOYSA-N 0 0 446.554 3.594 50 0 IHAARN Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000009686122 569560678 /nfs/dbraw/zinc/56/06/78/569560678.db2.gz FDYATKNMCWIXEQ-UHFFFAOYSA-N 0 0 426.476 3.800 50 0 IHAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)N[C@@H](C)CCc1ccccc1)C(=O)CS2 ZINC000009687004 569560768 /nfs/dbraw/zinc/56/07/68/569560768.db2.gz SMHGUNHIYWLQOF-KRWDZBQOSA-N 0 0 434.565 3.757 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000009704073 569561417 /nfs/dbraw/zinc/56/14/17/569561417.db2.gz BMEADLZCLPEFBN-UHFFFAOYSA-N 0 0 428.872 3.539 50 0 IHAARN Cc1ccc(S(=O)(=O)CC(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)cc1 ZINC000009708058 569561784 /nfs/dbraw/zinc/56/17/84/569561784.db2.gz OMMWKOHTUHYDCZ-UHFFFAOYSA-N 0 0 445.610 3.590 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708307 569561875 /nfs/dbraw/zinc/56/18/75/569561875.db2.gz PWOZLMSJFOUCHV-HXUWFJFHSA-N 0 0 435.549 3.924 50 0 IHAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009708716 569561955 /nfs/dbraw/zinc/56/19/55/569561955.db2.gz ZGROMMOJBJJHNN-IBGZPJMESA-N 0 0 427.863 3.931 50 0 IHAARN CC(=O)N1CCC(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000009711944 569562150 /nfs/dbraw/zinc/56/21/50/569562150.db2.gz VAZBSAHLIFYAOR-QHCPKHFHSA-N 0 0 432.568 3.741 50 0 IHAARN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009712500 569562275 /nfs/dbraw/zinc/56/22/75/569562275.db2.gz AMQJEEQVYUKHEY-OAQYLSRUSA-N 0 0 434.533 3.599 50 0 IHAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000009714899 569562922 /nfs/dbraw/zinc/56/29/22/569562922.db2.gz YWJJXGABPBIFOF-UHFFFAOYSA-N 0 0 435.461 3.585 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000009715916 569563148 /nfs/dbraw/zinc/56/31/48/569563148.db2.gz MSRHWDFYXDXWSU-QGZVFWFLSA-N 0 0 441.557 3.552 50 0 IHAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009720794 569563336 /nfs/dbraw/zinc/56/33/36/569563336.db2.gz ZCXSSFIKVIAKNL-UHFFFAOYSA-N 0 0 445.343 3.850 50 0 IHAARN Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1F ZINC000009721838 569563417 /nfs/dbraw/zinc/56/34/17/569563417.db2.gz ZEYFXBUUVKIXNV-HNNXBMFYSA-N 0 0 444.528 3.624 50 0 IHAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)n2)cc1 ZINC000009722941 569563474 /nfs/dbraw/zinc/56/34/74/569563474.db2.gz XZXHFNRHEYLZFW-DEOSSOPVSA-N 0 0 428.448 3.866 50 0 IHAARN O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1cc(Br)ccc1Cl ZINC000070926168 569563516 /nfs/dbraw/zinc/56/35/16/569563516.db2.gz GBSGBAHENWZABV-UHFFFAOYSA-N 0 0 436.737 3.780 50 0 IHAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C(C)C)cc1 ZINC000009723267 569563595 /nfs/dbraw/zinc/56/35/95/569563595.db2.gz WQAABJLHGXEEAU-UHFFFAOYSA-N 0 0 440.569 3.662 50 0 IHAARN CC[C@@H](C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000009726265 569563864 /nfs/dbraw/zinc/56/38/64/569563864.db2.gz VQKOJRVCEOBHMH-MRXNPFEDSA-N 0 0 447.601 3.503 50 0 IHAARN Cc1nc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C ZINC000009729771 569564300 /nfs/dbraw/zinc/56/43/00/569564300.db2.gz SZYNCZIGQSLBOK-FQEVSTJZSA-N 0 0 447.626 3.927 50 0 IHAARN CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009739166 569564955 /nfs/dbraw/zinc/56/49/55/569564955.db2.gz MVCRTOBUDFQQGT-MRXNPFEDSA-N 0 0 441.601 3.809 50 0 IHAARN CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2ccc(Cl)cc2Cl)nc3C(N)=O)cc1 ZINC000009739060 569564986 /nfs/dbraw/zinc/56/49/86/569564986.db2.gz MBLUXDWWDCRFQY-UHFFFAOYSA-N 0 0 444.278 3.580 50 0 IHAARN CCOc1ccc2nc(NC(=O)CSc3nnnn3Cc3cccs3)sc2c1 ZINC000009740871 569565183 /nfs/dbraw/zinc/56/51/83/569565183.db2.gz FUGKQCBJVCMCHM-UHFFFAOYSA-N 0 0 432.556 3.522 50 0 IHAARN Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)ccc1F ZINC000009741708 569565293 /nfs/dbraw/zinc/56/52/93/569565293.db2.gz CJMWGXPOAYBOIL-LJQANCHMSA-N 0 0 439.555 3.689 50 0 IHAARN Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2cccs2)cc1 ZINC000009742606 569565429 /nfs/dbraw/zinc/56/54/29/569565429.db2.gz VNLIKRWZURGPPT-MRXNPFEDSA-N 0 0 427.594 3.612 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(NCc3ccco3)nn21 ZINC000009744472 569565588 /nfs/dbraw/zinc/56/55/88/569565588.db2.gz LTWDMQRBMRJLIO-UHFFFAOYSA-N 0 0 426.864 3.563 50 0 IHAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000009761767 569566330 /nfs/dbraw/zinc/56/63/30/569566330.db2.gz PXJLKKXCNDHYMT-UHFFFAOYSA-N 0 0 449.507 3.660 50 0 IHAARN O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000071002979 569566567 /nfs/dbraw/zinc/56/65/67/569566567.db2.gz YFHVSCVWMJLLHS-UHFFFAOYSA-N 0 0 444.417 3.606 50 0 IHAARN O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009764403 569566763 /nfs/dbraw/zinc/56/67/63/569566763.db2.gz WGIFTAYATGWLIM-OLZOCXBDSA-N 0 0 438.899 3.676 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1C)c1ccccc1 ZINC000009764481 569566772 /nfs/dbraw/zinc/56/67/72/569566772.db2.gz XNLINVGGGVTDNJ-OAHLLOKOSA-N 0 0 435.553 3.914 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1C)c1ccccc1 ZINC000009764479 569566782 /nfs/dbraw/zinc/56/67/82/569566782.db2.gz XNLINVGGGVTDNJ-HNNXBMFYSA-N 0 0 435.553 3.914 50 0 IHAARN COc1cccc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778816 569567312 /nfs/dbraw/zinc/56/73/12/569567312.db2.gz OYHOSWFJEZDWDS-FCHUYYIVSA-N 0 0 430.435 3.895 50 0 IHAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009783171 569567799 /nfs/dbraw/zinc/56/77/99/569567799.db2.gz AQQVVPMWGLYULB-UHFFFAOYSA-N 0 0 441.538 3.816 50 0 IHAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccccc1Br ZINC000009794124 569568367 /nfs/dbraw/zinc/56/83/67/569568367.db2.gz RVOREVWRODZYGB-UHFFFAOYSA-N 0 0 426.361 3.758 50 0 IHAARN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000009805350 569568648 /nfs/dbraw/zinc/56/86/48/569568648.db2.gz NVFZULUAGGZWOF-LJQANCHMSA-N 0 0 438.549 3.730 50 0 IHAARN COCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000009805754 569568852 /nfs/dbraw/zinc/56/88/52/569568852.db2.gz OTWCQWWKPHNRNU-UHFFFAOYSA-N 0 0 443.594 3.571 50 0 IHAARN C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 ZINC000009814320 569569148 /nfs/dbraw/zinc/56/91/48/569569148.db2.gz SGOGHVPDIXZLJA-OAHLLOKOSA-N 0 0 436.537 3.885 50 0 IHAARN CCc1ccc(-c2ccc3nnc(SCC(=O)NCCc4ccccc4OC)n3n2)cc1 ZINC000009829114 569569981 /nfs/dbraw/zinc/56/99/81/569569981.db2.gz KJNZZTINAOWJGO-UHFFFAOYSA-N 0 0 447.564 3.813 50 0 IHAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000009833507 569570316 /nfs/dbraw/zinc/57/03/16/569570316.db2.gz ZDKAALZAQLFIOW-AWEZNQCLSA-N 0 0 439.541 3.959 50 0 IHAARN COc1ccccc1C(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O ZINC000009836645 569570731 /nfs/dbraw/zinc/57/07/31/569570731.db2.gz UCZLYDKFKOLYKX-UHFFFAOYSA-N 0 0 434.879 3.756 50 0 IHAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000009844298 569570916 /nfs/dbraw/zinc/57/09/16/569570916.db2.gz ZWQUNGMRVSHIFX-UHFFFAOYSA-N 0 0 431.414 3.758 50 0 IHAARN COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009847017 569571058 /nfs/dbraw/zinc/57/10/58/569571058.db2.gz XCHJFJAWIDKECW-UHFFFAOYSA-N 0 0 434.533 3.869 50 0 IHAARN Fc1cccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)c1 ZINC000009847298 569571104 /nfs/dbraw/zinc/57/11/04/569571104.db2.gz GKYYEQMRDDHCGQ-UHFFFAOYSA-N 0 0 444.517 3.647 50 0 IHAARN CCc1nn(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(=O)c2cc3sccc3n21 ZINC000009848525 569571249 /nfs/dbraw/zinc/57/12/49/569571249.db2.gz RAPHYDSEQSFLRG-UHFFFAOYSA-N 0 0 446.916 3.582 50 0 IHAARN O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc2c(c1)CCCC2 ZINC000009852920 569571445 /nfs/dbraw/zinc/57/14/45/569571445.db2.gz UAOBUGZVLZGBJZ-UHFFFAOYSA-N 0 0 427.501 3.519 50 0 IHAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000009855509 569571473 /nfs/dbraw/zinc/57/14/73/569571473.db2.gz UMQKVLOYKQUCEX-UHFFFAOYSA-N 0 0 440.455 3.642 50 0 IHAARN CCOc1ccc(N(CC)C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)cc1 ZINC000009860798 569571857 /nfs/dbraw/zinc/57/18/57/569571857.db2.gz DYUMJXAYZNGJMF-UHFFFAOYSA-N 0 0 442.519 3.834 50 0 IHAARN COc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000009860800 569571889 /nfs/dbraw/zinc/57/18/89/569571889.db2.gz BEIXPNQZDCYQOR-UHFFFAOYSA-N 0 0 448.910 3.707 50 0 IHAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCCOc2ccc(F)cc2)cc1OC ZINC000009873601 569572559 /nfs/dbraw/zinc/57/25/59/569572559.db2.gz JWUBEEQPSCBRKP-UHFFFAOYSA-N 0 0 429.400 3.924 50 0 IHAARN COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C2CC2)cc1 ZINC000009888715 569572893 /nfs/dbraw/zinc/57/28/93/569572893.db2.gz XJDHLSCBRNWVIQ-UHFFFAOYSA-N 0 0 442.581 3.921 50 0 IHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC(C)C)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936530 569573788 /nfs/dbraw/zinc/57/37/88/569573788.db2.gz VNTNFCLTJKCLKO-RTWAWAEBSA-N 0 0 428.554 3.861 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)NC(C)C)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936527 569573828 /nfs/dbraw/zinc/57/38/28/569573828.db2.gz VNTNFCLTJKCLKO-LEWJYISDSA-N 0 0 428.554 3.861 50 0 IHAARN O=C(NCc1cccs1)c1ccc2c(c1)nc1sc(NCc3ccccc3)nn1c2=O ZINC000009939893 569573901 /nfs/dbraw/zinc/57/39/01/569573901.db2.gz VLIMUJPUIREBTO-UHFFFAOYSA-N 0 0 447.545 3.908 50 0 IHAARN CC(C)NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000009946372 569574129 /nfs/dbraw/zinc/57/41/29/569574129.db2.gz YEZVYHUWINKGDX-UHFFFAOYSA-N 0 0 441.523 3.889 50 0 IHAARN CCc1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000009950024 569574323 /nfs/dbraw/zinc/57/43/23/569574323.db2.gz MZMPMJQQOXOLDW-UHFFFAOYSA-N 0 0 440.569 3.720 50 0 IHAARN COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000009958947 569574955 /nfs/dbraw/zinc/57/49/55/569574955.db2.gz XJLKWOKQSNFSGA-UHFFFAOYSA-N 0 0 445.435 3.679 50 0 IHAARN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)o2)cc1 ZINC000009959313 569575128 /nfs/dbraw/zinc/57/51/28/569575128.db2.gz JWWXGBOYDDXMBK-UHFFFAOYSA-N 0 0 431.404 3.995 50 0 IHAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000071327395 569575257 /nfs/dbraw/zinc/57/52/57/569575257.db2.gz AZGDPNSLVQNIRE-UHFFFAOYSA-N 0 0 427.892 3.838 50 0 IHAARN COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1 ZINC000071327353 569575269 /nfs/dbraw/zinc/57/52/69/569575269.db2.gz BRHYNXZXRNWBAF-UHFFFAOYSA-N 0 0 434.283 3.793 50 0 IHAARN CCCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCN(C(=O)OCC)C3 ZINC000009960247 569575396 /nfs/dbraw/zinc/57/53/96/569575396.db2.gz ZFPSUGSYHQSARC-UHFFFAOYSA-N 0 0 447.944 3.792 50 0 IHAARN Cn1c(Cl)cnc1CSc1nnc(-c2ccc3c(c2)nc2n(c3=O)CCCCC2)o1 ZINC000009960392 569575429 /nfs/dbraw/zinc/57/54/29/569575429.db2.gz YHWPAEZNKCBKAU-UHFFFAOYSA-N 0 0 442.932 3.852 50 0 IHAARN Cn1c2nc(Sc3nc4ccccc4s3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000009969564 569576122 /nfs/dbraw/zinc/57/61/22/569576122.db2.gz DWXHHYFLKDQRHH-UHFFFAOYSA-N 0 0 449.561 3.817 50 0 IHAARN Cc1cc2c(nc(SCC(=O)Nc3ccc(O)cc3)n(Cc3ccco3)c2=O)s1 ZINC000009970684 569576236 /nfs/dbraw/zinc/57/62/36/569576236.db2.gz NGWMJONWEJWHMI-UHFFFAOYSA-N 0 0 427.507 3.844 50 0 IHAARN Cc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)Cc3nc(N)n[nH]3)CCCCC2)cc1 ZINC000009971748 569576326 /nfs/dbraw/zinc/57/63/26/569576326.db2.gz RRSWONUBZJMONI-UHFFFAOYSA-N 0 0 446.555 3.608 50 0 IHAARN CCc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009972185 569576377 /nfs/dbraw/zinc/57/63/77/569576377.db2.gz XCRDIZDEHKFLOY-IBGZPJMESA-N 0 0 435.973 3.806 50 0 IHAARN O=C(Nc1ccc(Br)cn1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009986859 569576806 /nfs/dbraw/zinc/57/68/06/569576806.db2.gz FVQNZKHEQFXGLB-UHFFFAOYSA-N 0 0 435.281 3.855 50 0 IHAARN O=C(Nc1ccc(I)cc1C(=O)N1CCCCC1)c1cccnc1 ZINC000010037863 569577500 /nfs/dbraw/zinc/57/75/00/569577500.db2.gz WMXGIGHMQAEROS-UHFFFAOYSA-N 0 0 435.265 3.565 50 0 IHAARN COc1cccc(-n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nc3ccccc3c2=O)c1 ZINC000010084604 569577683 /nfs/dbraw/zinc/57/76/83/569577683.db2.gz KFDQNQVMDSBRNA-IAGOWNOFSA-N 0 0 437.565 3.991 50 0 IHAARN COc1cccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3ccccc3c2=O)c1 ZINC000010084597 569577731 /nfs/dbraw/zinc/57/77/31/569577731.db2.gz KFDQNQVMDSBRNA-IRXDYDNUSA-N 0 0 437.565 3.991 50 0 IHAARN Cc1c(C)n([C@@H](C)c2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n12 ZINC000010104197 569577864 /nfs/dbraw/zinc/57/78/64/569577864.db2.gz OMKOPAVZLVXRML-IBGZPJMESA-N 0 0 441.535 3.618 50 0 IHAARN CSc1nc2nc(C)c(CC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c(C)n2n1 ZINC000010109528 569577925 /nfs/dbraw/zinc/57/79/25/569577925.db2.gz PXTLXNPYGNWTIR-MRXNPFEDSA-N 0 0 438.582 3.979 50 0 IHAARN CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1 ZINC000010131934 569578071 /nfs/dbraw/zinc/57/80/71/569578071.db2.gz MJMUGSIOBATYRH-UHFFFAOYSA-N 0 0 426.270 3.514 50 0 IHAARN CSc1ccc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000010187259 569578580 /nfs/dbraw/zinc/57/85/80/569578580.db2.gz QJZGZOULRAJVHT-ZDUSSCGKSA-N 0 0 439.609 3.872 50 0 IHAARN COc1ccc(Cc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1 ZINC000010212891 569578960 /nfs/dbraw/zinc/57/89/60/569578960.db2.gz ILACRUQTXQKVNY-UHFFFAOYSA-N 0 0 448.928 3.597 50 0 IHAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)cc1 ZINC000010214370 569579176 /nfs/dbraw/zinc/57/91/76/569579176.db2.gz KXGXRYILAGWINU-QFIPXVFZSA-N 0 0 435.524 3.976 50 0 IHAARN COc1cc(Br)c(CCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1OC ZINC000010227973 569579309 /nfs/dbraw/zinc/57/93/09/569579309.db2.gz YSFOSLGNNSDIDI-UHFFFAOYSA-N 0 0 448.292 3.968 50 0 IHAARN Cc1cn2c3c(nc2n1-c1cccc(C)c1C)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000010271826 569579991 /nfs/dbraw/zinc/57/99/91/569579991.db2.gz RRJHIJQLYBQNKG-UKTHLTGXSA-N 0 0 439.519 3.777 50 0 IHAARN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 ZINC000010298188 569580612 /nfs/dbraw/zinc/58/06/12/569580612.db2.gz QNDKWSDEUDNYTH-MRXNPFEDSA-N 0 0 430.230 3.976 50 0 IHAARN COc1ccccc1CNC(=O)c1cnn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)c1C ZINC000071768639 569580782 /nfs/dbraw/zinc/58/07/82/569580782.db2.gz BRIPCYPSPOTRPN-UHFFFAOYSA-N 0 0 446.511 3.862 50 0 IHAARN CCOc1ccc(-c2ccc(OCCNC(=O)COc3ccc(Cl)cc3)nn2)cc1 ZINC000010336112 569581076 /nfs/dbraw/zinc/58/10/76/569581076.db2.gz YHXQCSMHAWMBLC-UHFFFAOYSA-N 0 0 427.888 3.770 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(cccc4C)s3)CC2)cc1 ZINC000010337645 569581393 /nfs/dbraw/zinc/58/13/93/569581393.db2.gz NRFIBHICLOZUDA-UHFFFAOYSA-N 0 0 445.566 3.653 50 0 IHAARN CC1(C)Cc2nc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)sc2C(=O)C1 ZINC000071800132 569581569 /nfs/dbraw/zinc/58/15/69/569581569.db2.gz NIGIFRPFMOLRKE-MRXNPFEDSA-N 0 0 425.554 3.718 50 0 IHAARN Cc1nc2cc(F)cc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)c2nc1C ZINC000071831424 569582090 /nfs/dbraw/zinc/58/20/90/569582090.db2.gz SNGBUUGUXVZPOY-UHFFFAOYSA-N 0 0 446.276 3.849 50 0 IHAARN CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Br)cc21 ZINC000010434504 569582153 /nfs/dbraw/zinc/58/21/53/569582153.db2.gz GJUXROHLYOUHSK-IBGZPJMESA-N 0 0 438.705 3.695 50 0 IHAARN O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000071282665 569583550 /nfs/dbraw/zinc/58/35/50/569583550.db2.gz ATHISIDYELEGFZ-UHFFFAOYSA-N 0 0 438.431 3.659 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1 ZINC000036051214 569583603 /nfs/dbraw/zinc/58/36/03/569583603.db2.gz RUMIWYVWJBWKSM-UHFFFAOYSA-N 0 0 434.540 3.980 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1 ZINC000036601978 569584115 /nfs/dbraw/zinc/58/41/15/569584115.db2.gz DJHHQPKYXQKXAU-HXUWFJFHSA-N 0 0 435.505 3.585 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(C(=O)OC)c(-c3ccccc3)s2)c1C ZINC000095475036 569584226 /nfs/dbraw/zinc/58/42/26/569584226.db2.gz FLLBOIRQHSDULG-UHFFFAOYSA-N 0 0 427.482 3.971 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077158607 569585690 /nfs/dbraw/zinc/58/56/90/569585690.db2.gz UHLIUOUDPDTKKJ-UHFFFAOYSA-N 0 0 446.580 3.564 50 0 IHAARN O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177468 569585774 /nfs/dbraw/zinc/58/57/74/569585774.db2.gz VIWXZNXCSNJYLZ-LIRRHRJNSA-N 0 0 425.485 3.890 50 0 IHAARN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)c1cccs1 ZINC000077192090 569586021 /nfs/dbraw/zinc/58/60/21/569586021.db2.gz SJOOSNLPYGHRQV-UHFFFAOYSA-N 0 0 426.479 3.903 50 0 IHAARN COC(=O)N1CCc2ccc(Br)cc2[C@@H]1C(=O)Nc1cccc(C(C)=O)c1 ZINC000077200082 569586334 /nfs/dbraw/zinc/58/63/34/569586334.db2.gz GVJBPOIJDHHMAS-GOSISDBHSA-N 0 0 431.286 3.956 50 0 IHAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 ZINC000077200776 569586554 /nfs/dbraw/zinc/58/65/54/569586554.db2.gz ZRTOCSWMKNLFEW-UHFFFAOYSA-N 0 0 442.459 3.935 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000021783049 569587150 /nfs/dbraw/zinc/58/71/50/569587150.db2.gz RZYXEPVQFYQLFM-MENZVKOBSA-N 0 0 442.515 3.752 50 0 IHAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034710670 569587567 /nfs/dbraw/zinc/58/75/67/569587567.db2.gz RADFNPMGCZGDQH-MOPGFXCFSA-N 0 0 443.544 3.528 50 0 IHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C1CC1 ZINC000036123630 569587881 /nfs/dbraw/zinc/58/78/81/569587881.db2.gz RSCUFMNBPIYAJF-FQEVSTJZSA-N 0 0 445.560 3.976 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)NCC ZINC000036122999 569587889 /nfs/dbraw/zinc/58/78/89/569587889.db2.gz UXOAYCMRZBTOJP-SFHVURJKSA-N 0 0 433.549 3.834 50 0 IHAARN O=C(CN(C(=O)C1CC1)C1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036120953 569587891 /nfs/dbraw/zinc/58/78/91/569587891.db2.gz CBUDQKISYJJUAT-HXUWFJFHSA-N 0 0 428.529 3.793 50 0 IHAARN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000003799118 291369970 /nfs/dbraw/zinc/36/99/70/291369970.db2.gz YEFOAORQXAOVJQ-RZFZLAGVSA-N 0 0 432.513 3.891 50 0 biogenic,in-vitro IHAARN O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1cccs1 ZINC000000629164 193862799 /nfs/dbraw/zinc/86/27/99/193862799.db2.gz KYAFIOQNBFGJRF-UHFFFAOYSA-N 0 0 428.105 3.866 50 0 IHAARN Cc1nn(C)cc1CNC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000000647153 193870619 /nfs/dbraw/zinc/87/06/19/193870619.db2.gz XUVGWVCFQXCKRE-MSOLQXFVSA-N 0 0 432.450 3.824 50 0 IHAARN O=C(c1c(F)cccc1F)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000009834058 193900716 /nfs/dbraw/zinc/90/07/16/193900716.db2.gz OPGYWPMYJMYEBS-ZDUSSCGKSA-N 0 0 428.254 3.685 50 0 IHAARN CCOc1ccc(CCNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1OCC ZINC000009834174 193901052 /nfs/dbraw/zinc/90/10/52/193901052.db2.gz AGDVFDZLAHBLCN-UHFFFAOYSA-N 0 0 435.524 3.907 50 0 IHAARN COCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1F ZINC000009834558 193901392 /nfs/dbraw/zinc/90/13/92/193901392.db2.gz VUYAIURAVTWKOK-UHFFFAOYSA-N 0 0 427.457 3.659 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000051357828 193925854 /nfs/dbraw/zinc/92/58/54/193925854.db2.gz CCBMROFIQWXQES-UHFFFAOYSA-N 0 0 431.467 3.552 50 0 IHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000000629081 132228177 /nfs/dbraw/zinc/22/81/77/132228177.db2.gz MDXLDKCBVRAXLR-NRFANRHFSA-N 0 0 435.505 3.540 50 0 IHAARN C[C@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000009519080 132232935 /nfs/dbraw/zinc/23/29/35/132232935.db2.gz XNXOWZKFFHLGHK-MRXNPFEDSA-N 0 0 449.942 3.581 50 0 IHAARN Cc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000009519321 132233215 /nfs/dbraw/zinc/23/32/15/132233215.db2.gz NGGUDMLECTUNQK-SFHVURJKSA-N 0 0 443.551 3.626 50 0 IHAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009635490 132234453 /nfs/dbraw/zinc/23/44/53/132234453.db2.gz LPGYRVKBOJOJMI-FQEVSTJZSA-N 0 0 435.902 3.721 50 0 IHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000009573262 132236042 /nfs/dbraw/zinc/23/60/42/132236042.db2.gz LIBQRGIUFAPCBI-UHFFFAOYSA-N 0 0 431.496 3.528 50 0 IHAARN Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1Br ZINC000009708653 132236878 /nfs/dbraw/zinc/23/68/78/132236878.db2.gz KAVXNZXPMWYSLW-UHFFFAOYSA-N 0 0 435.343 3.784 50 0 IHAARN Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000010220729 132243817 /nfs/dbraw/zinc/24/38/17/132243817.db2.gz VFQZEMQBDJSLKL-UHFFFAOYSA-N 0 0 433.533 3.904 50 0 IHAARN CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c32)C[C@](C)(CC)OC4)CC1 ZINC000002333415 132252251 /nfs/dbraw/zinc/25/22/51/132252251.db2.gz RRICBHIBAGMKOT-FQEVSTJZSA-N 0 0 436.603 3.933 50 0 IHAARN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000002434169 132254342 /nfs/dbraw/zinc/25/43/42/132254342.db2.gz ZSKFQBBGMQWKMR-UHFFFAOYSA-N 0 0 427.574 3.653 50 0 IHAARN O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(c2ccccc2)CC1 ZINC000002466603 132254716 /nfs/dbraw/zinc/25/47/16/132254716.db2.gz SXJBAPHYDBAHFW-CLJLJLNGSA-N 0 0 437.543 3.872 50 0 IHAARN O=C(N[C@H](n1cnc2c1ncnc2N1CCCCC1)C(Cl)(Cl)Cl)c1ccco1 ZINC000002675011 132256084 /nfs/dbraw/zinc/25/60/84/132256084.db2.gz RAWUNBOYWDOVKU-MRXNPFEDSA-N 0 0 443.722 3.708 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1 ZINC000002862348 132257789 /nfs/dbraw/zinc/25/77/89/132257789.db2.gz RPQUAINZBSMDCK-UHFFFAOYSA-N 0 0 427.551 3.511 50 0 aggregator IHAARN O=C([C@H]1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003026078 132260633 /nfs/dbraw/zinc/26/06/33/132260633.db2.gz QAVZCCLTOANXKU-HXUWFJFHSA-N 0 0 432.351 3.833 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2c3ccccc3O/C(=C/c3cccc(C)c3)C2=O)C1 ZINC000003061587 132261543 /nfs/dbraw/zinc/26/15/43/132261543.db2.gz VDDAGYXOQLWHAM-KMUCBOENSA-N 0 0 448.519 3.563 50 0 IHAARN Cc1sc2nc(CN3CCCCC3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C ZINC000003330369 132263935 /nfs/dbraw/zinc/26/39/35/132263935.db2.gz ZRMUKHFWAGLHSE-UHFFFAOYSA-N 0 0 439.585 3.849 50 0 IHAARN COc1ccc([C@@H]2[C@@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003368206 132264629 /nfs/dbraw/zinc/26/46/29/132264629.db2.gz WUUMIRJQUIKVGI-WMZHIEFXSA-N 0 0 425.481 3.629 50 0 IHAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000003445059 132265641 /nfs/dbraw/zinc/26/56/41/132265641.db2.gz TWUCMHJWFKCPDB-UHFFFAOYSA-N 0 0 425.710 3.957 50 0 IHAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2C1 ZINC000003536609 132265966 /nfs/dbraw/zinc/26/59/66/132265966.db2.gz KAVPQKCHIGOVLB-HNNXBMFYSA-N 0 0 429.476 3.502 50 0 IHAARN COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccccc2Cl)c1 ZINC000003665816 132267328 /nfs/dbraw/zinc/26/73/28/132267328.db2.gz RVPIMCYNTCBPAV-HSZRJFAPSA-N 0 0 437.883 3.862 50 0 IHAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000004680410 132272615 /nfs/dbraw/zinc/27/26/15/132272615.db2.gz GQKYRYULAUMKPA-NXHRZFHOSA-N 0 0 425.529 3.928 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1OC ZINC000006697910 132278284 /nfs/dbraw/zinc/27/82/84/132278284.db2.gz HMSQWZOJVFELMO-UHFFFAOYSA-N 0 0 425.529 3.651 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)[C@@H](C(C)C)C(=O)N4)CC2)c1C ZINC000008597911 132285550 /nfs/dbraw/zinc/28/55/50/132285550.db2.gz CCYAKUNALDXPHL-JOCHJYFZSA-N 0 0 427.570 3.506 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc1OC ZINC000008601018 132286371 /nfs/dbraw/zinc/28/63/71/132286371.db2.gz NIDKVWLWGUKBGJ-UHFFFAOYSA-N 0 0 430.526 3.584 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000008604466 132287038 /nfs/dbraw/zinc/28/70/38/132287038.db2.gz LXETXFJXCPBIEP-UHFFFAOYSA-N 0 0 433.903 3.799 50 0 IHAARN O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)N1CCN(c2ccccc2)CC1 ZINC000008672187 132289893 /nfs/dbraw/zinc/28/98/93/132289893.db2.gz JPHPOLLZIGHVIP-KGENOOAVSA-N 0 0 446.532 3.553 50 0 IHAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000008828531 132295437 /nfs/dbraw/zinc/29/54/37/132295437.db2.gz YRINZYHVELQNSC-UHFFFAOYSA-N 0 0 440.551 3.690 50 0 IHAARN CCCCN1c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2CCC1=O ZINC000008840773 132295933 /nfs/dbraw/zinc/29/59/33/132295933.db2.gz ORNTUQKUHNSDAQ-UHFFFAOYSA-N 0 0 429.542 3.915 50 0 IHAARN COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc32)cc1 ZINC000009074324 132302080 /nfs/dbraw/zinc/30/20/80/132302080.db2.gz IPQQLOUZUYEXIE-UHFFFAOYSA-N 0 0 431.475 3.638 50 0 IHAARN Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(C)c(C)c3)n(C)c2=O)c1 ZINC000009089078 132302404 /nfs/dbraw/zinc/30/24/04/132302404.db2.gz QTPBEVBUYSNTHQ-QGZVFWFLSA-N 0 0 443.551 3.658 50 0 IHAARN Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000009096444 132302851 /nfs/dbraw/zinc/30/28/51/132302851.db2.gz NOJCJYGXCUNKNH-QGZVFWFLSA-N 0 0 432.499 3.869 50 0 IHAARN O=C(c1ccc(C[S@](=O)c2ccccc2Cl)o1)N1CCN(c2ccccn2)CC1 ZINC000009115522 132303591 /nfs/dbraw/zinc/30/35/91/132303591.db2.gz DJUKKYRXIRWOML-GDLZYMKVSA-N 0 0 429.929 3.598 50 0 IHAARN Cc1cccc(N2N=C(C(=O)N3CCc4cc5c(cc4[C@H]3C)OCCCO5)CCC2=O)c1 ZINC000009130485 132305945 /nfs/dbraw/zinc/30/59/45/132305945.db2.gz KUJTZXNCPDBPTO-QGZVFWFLSA-N 0 0 433.508 3.785 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2c(C)noc2C)c1 ZINC000009222180 132309455 /nfs/dbraw/zinc/30/94/55/132309455.db2.gz IETYQHSQNBUCTC-UHFFFAOYSA-N 0 0 434.562 3.565 50 0 IHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1C[C@H](CC)Oc2ccc(Cl)cc21 ZINC000009226538 132309927 /nfs/dbraw/zinc/30/99/27/132309927.db2.gz HTKLDMZLAIITLV-AWEZNQCLSA-N 0 0 426.922 3.828 50 0 IHAARN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(Cl)cc2)c4=O)c1 ZINC000009280926 132312225 /nfs/dbraw/zinc/31/22/25/132312225.db2.gz YNNPVAUUPXPILW-UHFFFAOYSA-N 0 0 449.942 3.757 50 0 IHAARN O=C(CCC(=O)N1CCOc2ccccc21)Nc1c(F)cc(F)cc1Br ZINC000009287169 132312641 /nfs/dbraw/zinc/31/26/41/132312641.db2.gz DQNLGFFBRKEHRA-UHFFFAOYSA-N 0 0 425.229 3.872 50 0 IHAARN Cc1oc2cc3oc(=O)c(CC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc2c1C ZINC000009341414 132314091 /nfs/dbraw/zinc/31/40/91/132314091.db2.gz INUZFJIZEDAWLT-UHFFFAOYSA-N 0 0 431.492 3.751 50 0 IHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cncn1-c1ccccc1 ZINC000009349919 132314231 /nfs/dbraw/zinc/31/42/31/132314231.db2.gz ASGKZCIKRWQZQD-UHFFFAOYSA-N 0 0 436.512 3.759 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000009406022 132315432 /nfs/dbraw/zinc/31/54/32/132315432.db2.gz NHCKWKPTVUIODF-HXUWFJFHSA-N 0 0 437.540 3.821 50 0 IHAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009436284 132317678 /nfs/dbraw/zinc/31/76/78/132317678.db2.gz BOPJTDQXMGRVKS-UHFFFAOYSA-N 0 0 429.879 4.000 50 0 IHAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000009436331 132317694 /nfs/dbraw/zinc/31/76/94/132317694.db2.gz XZXICXAYHSIWGE-UHFFFAOYSA-N 0 0 429.879 4.000 50 0 IHAARN CCN1C[C@H](CN(C)C(=O)Cn2c3ccccc3nc2-c2cscn2)Oc2ccccc21 ZINC000009467060 132318362 /nfs/dbraw/zinc/31/83/62/132318362.db2.gz BXKFFZPKUUSFQZ-KRWDZBQOSA-N 0 0 447.564 3.906 50 0 IHAARN O=C(CSc1nnc(CN2CCCC2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009464698 132318369 /nfs/dbraw/zinc/31/83/69/132318369.db2.gz YDYGXRTYYAFKQJ-LJQANCHMSA-N 0 0 436.537 3.924 50 0 IHAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009467136 132318427 /nfs/dbraw/zinc/31/84/27/132318427.db2.gz QZPZFMVAENFFTK-CQSZACIVSA-N 0 0 428.489 3.832 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000009471641 132318987 /nfs/dbraw/zinc/31/89/87/132318987.db2.gz XACRENRNMONRRN-UHFFFAOYSA-N 0 0 445.519 3.919 50 0 IHAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000009528777 132320580 /nfs/dbraw/zinc/32/05/80/132320580.db2.gz FMCHRHYBMGKQLL-GOSISDBHSA-N 0 0 444.329 3.699 50 0 IHAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009584141 132322395 /nfs/dbraw/zinc/32/23/95/132322395.db2.gz DNLOIOSEMOCZTC-UHFFFAOYSA-N 0 0 434.467 3.911 50 0 IHAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000009588669 132322528 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IHAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 ZINC000012545865 519746279 /nfs/dbraw/zinc/74/62/79/519746279.db2.gz RLBOFCBVLFXTET-OAHLLOKOSA-N 0 0 426.492 3.580 50 0 IHAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccccc4F)CC3)cc2s1 ZINC000021353035 519753206 /nfs/dbraw/zinc/75/32/06/519753206.db2.gz YZUBCJZSMDLTHJ-UHFFFAOYSA-N 0 0 426.517 3.675 50 0 IHAARN CC(=O)Oc1c(Br)cc(Cl)cc1C1=NN(C(C)=O)[C@@H](c2ccncc2)O1 ZINC000021092594 519758503 /nfs/dbraw/zinc/75/85/03/519758503.db2.gz RMKHPCWSSXHPTO-QGZVFWFLSA-N 0 0 438.665 3.662 50 0 IHAARN CC(=O)Oc1ccccc1C(=O)OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000015669473 519759659 /nfs/dbraw/zinc/75/96/59/519759659.db2.gz JNCPLGYFTBMJNF-UHFFFAOYSA-N 0 0 449.484 3.972 50 0 IHAARN CC(C)OCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021861166 519762707 /nfs/dbraw/zinc/76/27/07/519762707.db2.gz GBKVCRXMIAHYJT-XHNVNVPESA-N 0 0 440.588 3.761 50 0 IHAARN CC(C)OCCCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000020937393 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CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(S(=O)(=O)c1ccccc1C)CC2 ZINC000020920913 520800165 /nfs/dbraw/zinc/80/01/65/520800165.db2.gz QNNKOIHSTWRODV-IBGZPJMESA-N 0 0 447.553 3.644 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2noc3c2COc2ccccc2-3)cc1 ZINC000020484772 520802427 /nfs/dbraw/zinc/80/24/27/520802427.db2.gz LROVHZLIKKKDHO-UHFFFAOYSA-N 0 0 427.482 3.517 50 0 IHAARN CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000012872168 520862461 /nfs/dbraw/zinc/86/24/61/520862461.db2.gz XDLDKIQKOYLZFA-UHFFFAOYSA-N 0 0 442.512 3.746 50 0 IHAARN CCCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000012682487 520871985 /nfs/dbraw/zinc/87/19/85/520871985.db2.gz IJZGRVTYMFCXSR-UHFFFAOYSA-N 0 0 432.542 3.911 50 0 IHAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccccc1Cl ZINC000012413288 520888679 /nfs/dbraw/zinc/88/86/79/520888679.db2.gz LQUALTJKQCBKHN-INIZCTEOSA-N 0 0 432.325 3.975 50 0 IHAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC ZINC000016753624 520899460 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CCOc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1OCC ZINC000021159170 520951486 /nfs/dbraw/zinc/95/14/86/520951486.db2.gz OGXKXQLQORDAON-LJQANCHMSA-N 0 0 436.556 3.936 50 0 IHAARN CCOc1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012784508 520959695 /nfs/dbraw/zinc/95/96/95/520959695.db2.gz UROAHDAJYIGTLJ-UHFFFAOYSA-N 0 0 425.554 3.784 50 0 IHAARN CCOc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1OC ZINC000020988069 520983687 /nfs/dbraw/zinc/98/36/87/520983687.db2.gz PLQLRKCZCXKHIB-IBGZPJMESA-N 0 0 437.540 3.506 50 0 IHAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1 ZINC000035325315 521028167 /nfs/dbraw/zinc/02/81/67/521028167.db2.gz UVLZKVXYKYVTJC-KRWDZBQOSA-N 0 0 449.548 3.646 50 0 IHAARN CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC000020562822 521033333 /nfs/dbraw/zinc/03/33/33/521033333.db2.gz ZBPFKDCGENMLIC-PMACEKPBSA-N 0 0 445.629 3.957 50 0 IHAARN CCOC(=O)[C@@H](C)Oc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(C)nc12 ZINC000035924584 521034457 /nfs/dbraw/zinc/03/44/57/521034457.db2.gz ZEXYXQAEWTUULH-GOSISDBHSA-N 0 0 446.507 3.803 50 0 IHAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4cccc(OC)c4)nnc32)cc1 ZINC000017307746 521043139 /nfs/dbraw/zinc/04/31/39/521043139.db2.gz BAZMHQJAWGQLPD-UHFFFAOYSA-N 0 0 425.514 3.568 50 0 IHAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2F)cc1 ZINC000012285412 521070897 /nfs/dbraw/zinc/07/08/97/521070897.db2.gz VEFWQFRQBFRZDT-FQEVSTJZSA-N 0 0 443.544 3.613 50 0 IHAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1 ZINC000035961909 521087085 /nfs/dbraw/zinc/08/70/85/521087085.db2.gz FHKDNWNHPXYIBT-QHCPKHFHSA-N 0 0 437.540 3.566 50 0 IHAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002149756 521104957 /nfs/dbraw/zinc/10/49/57/521104957.db2.gz CUOGZIDNRDHEQK-LJQANCHMSA-N 0 0 429.494 3.544 50 0 biogenic IHAARN CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1S(=O)(=O)N(C)C ZINC000012690129 521115575 /nfs/dbraw/zinc/11/55/75/521115575.db2.gz PIPBIILLFVRYDC-UHFFFAOYSA-N 0 0 432.473 3.987 50 0 IHAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000011879242 521180544 /nfs/dbraw/zinc/18/05/44/521180544.db2.gz JVDDIZLDKKXSGF-XMMPIXPASA-N 0 0 439.462 3.936 50 0 IHAARN CCOc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1OCC ZINC000022405847 521191438 /nfs/dbraw/zinc/19/14/38/521191438.db2.gz BNMXUDWHCROXEK-UHFFFAOYSA-N 0 0 427.526 3.838 50 0 IHAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCc2ccco2)CC1 ZINC000033069370 521193956 /nfs/dbraw/zinc/19/39/56/521193956.db2.gz MPEQFPLEKGFROA-UHFFFAOYSA-N 0 0 449.555 3.698 50 0 IHAARN CCOc1ccc([C@@H](CC(=O)NCc2ccccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530577 521225537 /nfs/dbraw/zinc/22/55/37/521225537.db2.gz JJJPNTNMSXTUAC-JOCHJYFZSA-N 0 0 445.519 3.893 50 0 IHAARN CCOc1ccc([C@@H]2OCCn3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000035373193 521245232 /nfs/dbraw/zinc/24/52/32/521245232.db2.gz ZLDWGHRJCXQEEC-DEOSSOPVSA-N 0 0 445.519 3.532 50 0 IHAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1OC ZINC000021523784 521248884 /nfs/dbraw/zinc/24/88/84/521248884.db2.gz CPTWACCQYJEBJY-FQEVSTJZSA-N 0 0 439.541 3.770 50 0 IHAARN CCOc1ccc([C@H](CNC(=O)c2nccnc2N)c2c[nH]c3ccccc32)cc1OC ZINC000021407557 521263528 /nfs/dbraw/zinc/26/35/28/521263528.db2.gz QGMPKMOCGASVET-KRWDZBQOSA-N 0 0 431.496 3.509 50 0 IHAARN CCCCc1nnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 ZINC000023363848 521321185 /nfs/dbraw/zinc/32/11/85/521321185.db2.gz CDMYVDRTNSZVNM-UHFFFAOYSA-N 0 0 427.456 3.525 50 0 IHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000022983664 521325299 /nfs/dbraw/zinc/32/52/99/521325299.db2.gz ABXPPQMLJINPPF-JOCHJYFZSA-N 0 0 447.457 3.825 50 0 IHAARN CCCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000023010993 521388646 /nfs/dbraw/zinc/38/86/46/521388646.db2.gz KHRYTJWMGQZNBX-UHFFFAOYSA-N 0 0 437.540 3.511 50 0 IHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000011914113 521391413 /nfs/dbraw/zinc/39/14/13/521391413.db2.gz FLYNJWRSQKJCJV-UHFFFAOYSA-N 0 0 431.901 3.993 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cc(C)on3)o1)CCCC2 ZINC000016448231 521416824 /nfs/dbraw/zinc/41/68/24/521416824.db2.gz UZASATZCZDVSDX-UHFFFAOYSA-N 0 0 448.526 3.881 50 0 IHAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=S)NC1CC1 ZINC000036040645 521431963 /nfs/dbraw/zinc/43/19/63/521431963.db2.gz ICVXLOMVGFLAJF-UHFFFAOYSA-N 0 0 448.658 3.680 50 0 IHAARN CCOc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(OC)cc3)n2)c1C ZINC000020597803 521445501 /nfs/dbraw/zinc/44/55/01/521445501.db2.gz NQAWHAQSVJAEGH-UHFFFAOYSA-N 0 0 436.497 3.754 50 0 IHAARN CCN(Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012555482 521469875 /nfs/dbraw/zinc/46/98/75/521469875.db2.gz NTGRBXIHUWBOKN-HXUWFJFHSA-N 0 0 442.610 3.845 50 0 IHAARN CCOc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000033011799 521492525 /nfs/dbraw/zinc/49/25/25/521492525.db2.gz VLLJOVZASTZTKN-UHFFFAOYSA-N 0 0 442.566 3.906 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)cnn32)cc1 ZINC000020738625 521509183 /nfs/dbraw/zinc/50/91/83/521509183.db2.gz VGJGSKNKSIMZNW-IBGZPJMESA-N 0 0 434.452 3.907 50 0 IHAARN CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C2 ZINC000035457134 521539362 /nfs/dbraw/zinc/53/93/62/521539362.db2.gz GVKWSMHTLJTZAJ-UHFFFAOYSA-N 0 0 434.515 3.532 50 0 IHAARN CCCc1nc2cccnc2n1C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000012240410 521544493 /nfs/dbraw/zinc/54/44/93/521544493.db2.gz RYQMBFXZYFOQHN-UHFFFAOYSA-N 0 0 431.540 3.988 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000016156362 521550243 /nfs/dbraw/zinc/55/02/43/521550243.db2.gz GUZQJKGPLGMKQD-UHFFFAOYSA-N 0 0 445.324 3.575 50 0 IHAARN CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013007211 521562192 /nfs/dbraw/zinc/56/21/92/521562192.db2.gz ZEIYQBQPIKTPDY-UHFFFAOYSA-N 0 0 432.542 3.668 50 0 IHAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3Br)cc2)c1N ZINC000021115227 521578937 /nfs/dbraw/zinc/57/89/37/521578937.db2.gz LPNKJHUNTZIZIH-UHFFFAOYSA-N 0 0 429.274 3.646 50 0 IHAARN CCCn1c(=O)c2nn(CC)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000033268101 521617170 /nfs/dbraw/zinc/61/71/70/521617170.db2.gz MXGAUDYPGHRFOM-UHFFFAOYSA-N 0 0 439.463 3.773 50 0 IHAARN CCN1CCN(C(=O)CCN(c2nc(-c3cccs3)nc3ccccc32)C2CC2)CC1 ZINC000036000729 521662324 /nfs/dbraw/zinc/66/23/24/521662324.db2.gz JWJSGKWALIFECT-UHFFFAOYSA-N 0 0 435.597 3.881 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cccc(Cl)c3Cl)ccc21 ZINC000021946711 521667746 /nfs/dbraw/zinc/66/77/46/521667746.db2.gz VOKRZGDXKOOOSG-UHFFFAOYSA-N 0 0 442.320 3.745 50 0 IHAARN CCS(=O)(=O)N1CCc2cc(C3=NNC(=Nc4ccc(C)c(C)c4)SC3)ccc21 ZINC000012592754 521668488 /nfs/dbraw/zinc/66/84/88/521668488.db2.gz VGQRCIPOECARLW-UHFFFAOYSA-N 0 0 428.583 3.935 50 0 IHAARN CCOCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021856135 521705954 /nfs/dbraw/zinc/70/59/54/521705954.db2.gz FSCKBDADVWNVEH-VWLOTQADSA-N 0 0 441.572 3.740 50 0 IHAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000021657805 521731011 /nfs/dbraw/zinc/73/10/11/521731011.db2.gz CFEWFCHYZDKDGQ-UHFFFAOYSA-N 0 0 439.946 3.605 50 0 IHAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC ZINC000035948953 521739146 /nfs/dbraw/zinc/73/91/46/521739146.db2.gz OJDNXNSKSJFNHF-LJQANCHMSA-N 0 0 428.920 3.688 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccccc3F)o2)c1C ZINC000012278545 521750124 /nfs/dbraw/zinc/75/01/24/521750124.db2.gz JJYMZWCHRHHVCL-AWEZNQCLSA-N 0 0 442.443 3.959 50 0 IHAARN COC(=O)c1c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)sc2c1CCC2 ZINC000012616648 521765705 /nfs/dbraw/zinc/76/57/05/521765705.db2.gz WEVUDNVYPPAHTA-UHFFFAOYSA-N 0 0 427.400 3.838 50 0 IHAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(C(F)(F)F)n1C)CCCCC2 ZINC000021151825 521783589 /nfs/dbraw/zinc/78/35/89/521783589.db2.gz PCQJNIAAZTXJJT-UHFFFAOYSA-N 0 0 448.492 3.682 50 0 IHAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(C(C)=O)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888971 521792272 /nfs/dbraw/zinc/79/22/72/521792272.db2.gz CIFLTBBLBAMBHY-NRFANRHFSA-N 0 0 447.535 3.672 50 0 IHAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NC(C)C)n3c2=O)cc1C ZINC000035911796 521804613 /nfs/dbraw/zinc/80/46/13/521804613.db2.gz SUHGFKGSBGINAD-UHFFFAOYSA-N 0 0 449.580 3.855 50 0 IHAARN CC[C@@H](C(=O)NCc1ccccc1F)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563816 521854209 /nfs/dbraw/zinc/85/42/09/521854209.db2.gz FVRNYIPNWVKTDL-NRFANRHFSA-N 0 0 447.514 3.914 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012769821 521861934 /nfs/dbraw/zinc/86/19/34/521861934.db2.gz YASHJVFIRBNXGF-UHFFFAOYSA-N 0 0 448.489 3.976 50 0 IHAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000012556242 521863807 /nfs/dbraw/zinc/86/38/07/521863807.db2.gz PALXPLGOONPYCK-GOSISDBHSA-N 0 0 442.991 3.510 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccc(C)c(Cl)c2)CC1 ZINC000012765549 521868122 /nfs/dbraw/zinc/86/81/22/521868122.db2.gz PFJBGEGMRRVQAQ-UHFFFAOYSA-N 0 0 427.976 3.926 50 0 IHAARN COCC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000012447571 521873515 /nfs/dbraw/zinc/87/35/15/521873515.db2.gz CXSLHXCHSLKWLQ-NRFANRHFSA-N 0 0 433.618 3.699 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000012730499 521986816 /nfs/dbraw/zinc/98/68/16/521986816.db2.gz XNMFYEVXOQSZPO-UHFFFAOYSA-N 0 0 445.629 3.626 50 0 IHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012852213 522043926 /nfs/dbraw/zinc/04/39/26/522043926.db2.gz XRBOHEJCAXBAOG-ZWKOTPCHSA-N 0 0 447.576 3.673 50 0 IHAARN CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012459001 522103389 /nfs/dbraw/zinc/10/33/89/522103389.db2.gz FOICMFTXEHDXHO-HNNXBMFYSA-N 0 0 439.503 3.822 50 0 IHAARN COC(=O)c1ccc(OC)c(Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)c1 ZINC000023126643 522138590 /nfs/dbraw/zinc/13/85/90/522138590.db2.gz KMTUAYCUCWGPTG-UHFFFAOYSA-N 0 0 436.489 3.977 50 0 IHAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)ccc1OC(F)F ZINC000018948211 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429.904 3.548 50 0 IHAARN COc1cc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)ccc1OCc1ccccc1 ZINC000012767779 522346855 /nfs/dbraw/zinc/34/68/55/522346855.db2.gz UNHMCXRQYWNSRT-UHFFFAOYSA-N 0 0 433.508 3.715 50 0 IHAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O ZINC000012538163 522432118 /nfs/dbraw/zinc/43/21/18/522432118.db2.gz BHYNISNZYVEFRQ-WOJBJXKFSA-N 0 0 435.568 3.910 50 0 IHAARN COc1cc(CNC(=O)c2sc3ncnc(N4CCCC4)c3c2C)cc(OC)c1OC ZINC000021115921 522440626 /nfs/dbraw/zinc/44/06/26/522440626.db2.gz SQGLREDYZQUMEA-UHFFFAOYSA-N 0 0 442.541 3.556 50 0 IHAARN CCc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000036001937 522468253 /nfs/dbraw/zinc/46/82/53/522468253.db2.gz INONMLFXGLCQCF-UHFFFAOYSA-N 0 0 444.514 3.788 50 0 IHAARN COc1cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1OC(F)F ZINC000012636299 522500207 /nfs/dbraw/zinc/50/02/07/522500207.db2.gz NQLPRPOTTXMIBA-UHFFFAOYSA-N 0 0 430.498 3.768 50 0 IHAARN COc1cc(C[C@]2(CCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CCC(=O)N2)ccc1F ZINC000012156356 522502959 /nfs/dbraw/zinc/50/29/59/522502959.db2.gz XYBUGXMRQPHXFY-KBMIEXCESA-N 0 0 442.506 3.961 50 0 IHAARN COc1cc(C[C@]2(CCC(=O)NCC3C4CC5CC(C4)CC3C5)CCC(=O)N2)ccc1F ZINC000012097235 522505168 /nfs/dbraw/zinc/50/51/68/522505168.db2.gz UPPMGDDNBCAREW-YHCAVRNUSA-N 0 0 442.575 3.994 50 0 IHAARN CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)CC(=O)Nc1cccc(F)c1 ZINC000012797195 522523911 /nfs/dbraw/zinc/52/39/11/522523911.db2.gz VYMVVEWAOCPJTM-UHFFFAOYSA-N 0 0 434.443 3.736 50 0 IHAARN CCc1nc2sc([C@@H](c3ccc(CC)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854099 522535489 /nfs/dbraw/zinc/53/54/89/522535489.db2.gz BCOMNIWIEYXZGP-GOSISDBHSA-N 0 0 428.558 3.550 50 0 IHAARN CCc1nc2sc([C@H](c3ccccc3Cl)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854035 522538384 /nfs/dbraw/zinc/53/83/84/522538384.db2.gz KZNSGDAMQCHPPJ-INIZCTEOSA-N 0 0 434.949 3.641 50 0 IHAARN COc1cc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc(OC)c1 ZINC000012440895 522653834 /nfs/dbraw/zinc/65/38/34/522653834.db2.gz KXGBNASWUJUWOG-UHFFFAOYSA-N 0 0 427.888 4.000 50 0 IHAARN COc1cc(NC(=O)CSc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc(OC)c1 ZINC000012902361 522667608 /nfs/dbraw/zinc/66/76/08/522667608.db2.gz POHPRTUEXRXFIP-UHFFFAOYSA-N 0 0 444.553 3.780 50 0 IHAARN CCc1nn([C@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc3occc3n21 ZINC000020863299 522703644 /nfs/dbraw/zinc/70/36/44/522703644.db2.gz FKLOYUIVIWJKBX-GOSISDBHSA-N 0 0 436.512 3.859 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1N1CCCC1=O ZINC000012508620 522756811 /nfs/dbraw/zinc/75/68/11/522756811.db2.gz CRYARHFNHDLAKX-UHFFFAOYSA-N 0 0 430.404 3.521 50 0 IHAARN COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1 ZINC000033293752 522788286 /nfs/dbraw/zinc/78/82/86/522788286.db2.gz ORKPWFBDNWEFJZ-VCHYOVAHSA-N 0 0 446.456 3.527 50 0 IHAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000033124770 522868937 /nfs/dbraw/zinc/86/89/37/522868937.db2.gz HKCMBZHATCEPER-KRWDZBQOSA-N 0 0 446.276 3.930 50 0 IHAARN COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)cc1C ZINC000012420588 522895726 /nfs/dbraw/zinc/89/57/26/522895726.db2.gz CVSFLKGCNRZPDE-UHFFFAOYSA-N 0 0 444.475 3.542 50 0 IHAARN COCc1c(C(=O)NCc2cccc(F)c2)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000012245088 522898983 /nfs/dbraw/zinc/89/89/83/522898983.db2.gz HDHFTQVUQAGETJ-UHFFFAOYSA-N 0 0 447.470 3.553 50 0 IHAARN COC(=O)CCCCC(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 ZINC000022648671 522974135 /nfs/dbraw/zinc/97/41/35/522974135.db2.gz MKJDYKBUEAVDJM-UHFFFAOYSA-N 0 0 438.572 3.823 50 0 IHAARN COc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)N3CCCCCC3)CC1)O[C@@H](C)C2 ZINC000012899215 522995801 /nfs/dbraw/zinc/99/58/01/522995801.db2.gz OTNIHCOGYXLSMP-DVBCCOPCSA-N 0 0 426.557 3.673 50 0 IHAARN COC(=O)CCCNc1nc(CN2CCN(c3cccc(C)c3C)CC2)nc2ccccc21 ZINC000020455829 523031702 /nfs/dbraw/zinc/03/17/02/523031702.db2.gz XYZWCIFVVQYROU-UHFFFAOYSA-N 0 0 447.583 3.934 50 0 IHAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012767338 523054071 /nfs/dbraw/zinc/05/40/71/523054071.db2.gz CQXVAOLRWIZISK-HXUWFJFHSA-N 0 0 449.473 3.646 50 0 IHAARN COc1ccc(-c2cc(C(=O)NC(C)(C)CC(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011997038 523094450 /nfs/dbraw/zinc/09/44/50/523094450.db2.gz LMUVPPNSHPLXQU-KRWDZBQOSA-N 0 0 447.601 3.863 50 0 IHAARN COC(=O)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021892633 523095949 /nfs/dbraw/zinc/09/59/49/523095949.db2.gz PLUOJKNOEFIMHT-XMMPIXPASA-N 0 0 449.507 3.672 50 0 IHAARN CCn1c(=O)c2c3c(sc2nc1SCc1nnnn1-c1ccccc1)C[C@@H](C)CC3 ZINC000017654805 523107549 /nfs/dbraw/zinc/10/75/49/523107549.db2.gz MPBVACDOSROCEG-ZDUSSCGKSA-N 0 0 438.582 3.871 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(F)ccc3F)n2)cc1 ZINC000015670242 523157870 /nfs/dbraw/zinc/15/78/70/523157870.db2.gz DSIYFTZZNHBSTO-QGZVFWFLSA-N 0 0 448.433 3.794 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC3)cc1 ZINC000035480503 523226919 /nfs/dbraw/zinc/22/69/19/523226919.db2.gz PECGIZNRDXUYMC-UHFFFAOYSA-N 0 0 443.550 3.524 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccoc1C ZINC000012569393 523226893 /nfs/dbraw/zinc/22/68/93/523226893.db2.gz VMJJEIBRLOQXRS-UHFFFAOYSA-N 0 0 443.920 3.831 50 0 IHAARN CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2c3ccccc3[nH]c2c1=O ZINC000022627969 523229614 /nfs/dbraw/zinc/22/96/14/523229614.db2.gz VPHPZBYBYZXSRS-UHFFFAOYSA-N 0 0 435.509 3.587 50 0 IHAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287500 523229673 /nfs/dbraw/zinc/22/96/73/523229673.db2.gz KDNBUPZVXUIELZ-UHFFFAOYSA-N 0 0 436.537 3.956 50 0 IHAARN CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC[C@@H]2c2ccccn2)nn1 ZINC000012164736 523253849 /nfs/dbraw/zinc/25/38/49/523253849.db2.gz SACOQNABIMKMET-OAQYLSRUSA-N 0 0 435.503 3.780 50 0 IHAARN CCn1c2c(nc(CCC(=O)Nc3ccccc3OC)c1=O)c(C)nn2-c1ccc(C)cc1 ZINC000021641035 523255100 /nfs/dbraw/zinc/25/51/00/523255100.db2.gz FACZIYNCKXRESB-UHFFFAOYSA-N 0 0 445.523 3.799 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2-n2cccc2)cc1 ZINC000015881904 523260486 /nfs/dbraw/zinc/26/04/86/523260486.db2.gz VRHAZZDUCGRRKJ-UHFFFAOYSA-N 0 0 435.509 3.806 50 0 IHAARN COc1ccc(-c2noc(CN(C(=O)c3c(OC)cccc3OC)C(C)C)n2)cc1OC ZINC000012654599 523284115 /nfs/dbraw/zinc/28/41/15/523284115.db2.gz OSKQWXYLZGQKBC-UHFFFAOYSA-N 0 0 441.484 3.822 50 0 IHAARN COc1ccc(-c2noc(CN3CCCN(c4ccc(F)cc4)CC3)n2)c(OC)c1OC ZINC000012437867 523287222 /nfs/dbraw/zinc/28/72/22/523287222.db2.gz FRDMIPCYAGKMPB-UHFFFAOYSA-N 0 0 442.491 3.614 50 0 IHAARN COc1ccc(-c2noc(CN3CCN(C(=O)C4(c5ccccc5)CCC4)CC3)n2)cc1 ZINC000012792822 523288211 /nfs/dbraw/zinc/28/82/11/523288211.db2.gz YPHGAJRHIVSPSX-UHFFFAOYSA-N 0 0 432.524 3.511 50 0 IHAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)cc2C1=O ZINC000021828027 523294137 /nfs/dbraw/zinc/29/41/37/523294137.db2.gz XTRQBRGMWJDRKF-UHFFFAOYSA-N 0 0 449.532 3.927 50 0 IHAARN COc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C)n2)c(OC)c1 ZINC000012914335 523295212 /nfs/dbraw/zinc/29/52/12/523295212.db2.gz WFBIDRZDUXIELD-UHFFFAOYSA-N 0 0 427.461 3.981 50 0 IHAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)n2)cc1OC ZINC000020847884 523298648 /nfs/dbraw/zinc/29/86/48/523298648.db2.gz HHTZXHOMXXTLOB-UHFFFAOYSA-N 0 0 426.448 3.748 50 0 IHAARN COCCCN1COc2ccc3c(C)c(-c4ccc(OC)c(OC)c4)c(=O)oc3c2C1 ZINC000012442411 523305219 /nfs/dbraw/zinc/30/52/19/523305219.db2.gz PWSMXYJRHCWWAL-UHFFFAOYSA-N 0 0 425.481 3.974 50 0 biogenic IHAARN COc1ccc(-c2nonc2NC(=O)C2=C(c3ccccc3)SCCO2)cc1OC ZINC000020745223 523307332 /nfs/dbraw/zinc/30/73/32/523307332.db2.gz JHMVKBJYTRGZIO-UHFFFAOYSA-N 0 0 425.466 3.825 50 0 IHAARN CN(Cc1ccccc1)C(=O)C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021109429 523333107 /nfs/dbraw/zinc/33/31/07/523333107.db2.gz VOYBRQKADREYSF-WJOKGBTCSA-N 0 0 432.549 3.570 50 0 IHAARN COc1ccc(-n2cnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)cc1 ZINC000012514682 523340172 /nfs/dbraw/zinc/34/01/72/523340172.db2.gz CKVDWPSAJVLXDP-IBGZPJMESA-N 0 0 430.530 3.781 50 0 IHAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)c2ccccc2O1 ZINC000020489438 523392847 /nfs/dbraw/zinc/39/28/47/523392847.db2.gz KLUKHWPVWJSJNX-HXUWFJFHSA-N 0 0 437.540 3.821 50 0 IHAARN CN(Cc1ccco1)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012133119 523433300 /nfs/dbraw/zinc/43/33/00/523433300.db2.gz ZHVSSSOKOPJDNX-UHFFFAOYSA-N 0 0 443.463 3.801 50 0 IHAARN CN(Cc1ccnc2ccccc12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012434708 523453663 /nfs/dbraw/zinc/45/36/63/523453663.db2.gz QVGYTQROSNLZKA-UHFFFAOYSA-N 0 0 440.463 3.655 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(C)cc4)CC3)ccc21 ZINC000021053754 523493331 /nfs/dbraw/zinc/49/33/31/523493331.db2.gz RMDHFGHNWXLCSU-UHFFFAOYSA-N 0 0 439.581 3.687 50 0 IHAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)ccc21 ZINC000021053733 523494793 /nfs/dbraw/zinc/49/47/93/523494793.db2.gz VVWDHIRRHIPJJS-UHFFFAOYSA-N 0 0 431.602 3.901 50 0 IHAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Br)cc1 ZINC000035145919 523541900 /nfs/dbraw/zinc/54/19/00/523541900.db2.gz OVQMQNOLERFVLQ-UHFFFAOYSA-N 0 0 442.722 3.973 50 0 IHAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000041097966 523567573 /nfs/dbraw/zinc/56/75/73/523567573.db2.gz KXGSRTPKDUFEGG-OAHLLOKOSA-N 0 0 425.913 3.879 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1)C(=O)C1CC1 ZINC000035949394 523650956 /nfs/dbraw/zinc/65/09/56/523650956.db2.gz AKUXMNRZTKUUTQ-DEOSSOPVSA-N 0 0 433.552 3.866 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F)C(=O)C(C)C ZINC000035946689 523651364 /nfs/dbraw/zinc/65/13/64/523651364.db2.gz GEJSPXJWEBPJRP-QFIPXVFZSA-N 0 0 443.494 3.774 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1)C(=O)C1CCC1 ZINC000035947106 523651475 /nfs/dbraw/zinc/65/14/75/523651475.db2.gz FLHUPLQEKZKYIJ-HSZRJFAPSA-N 0 0 437.515 3.779 50 0 IHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(=O)C(C)C ZINC000035947738 523651703 /nfs/dbraw/zinc/65/17/03/523651703.db2.gz GXXVCSBLEATFBR-HSZRJFAPSA-N 0 0 437.540 3.504 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000035946653 523652556 /nfs/dbraw/zinc/65/25/56/523652556.db2.gz UONGFQLTXNFXBX-HXUWFJFHSA-N 0 0 443.569 3.565 50 0 IHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)C1CC1 ZINC000035948539 523655316 /nfs/dbraw/zinc/65/53/16/523655316.db2.gz UMGRLFVIAZYBFK-KRWDZBQOSA-N 0 0 431.583 3.681 50 0 IHAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000009818057 523657845 /nfs/dbraw/zinc/65/78/45/523657845.db2.gz KCTPYVWRBRDFMO-BQYQJAHWSA-N 0 0 444.915 3.812 50 0 IHAARN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000036616585 523671125 /nfs/dbraw/zinc/67/11/25/523671125.db2.gz DZXWENJXLCYYRE-UHFFFAOYSA-N 0 0 429.406 3.920 50 0 IHAARN COc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012385253 523711019 /nfs/dbraw/zinc/71/10/19/523711019.db2.gz OGLVTTUVAJVCRH-RUZDIDTESA-N 0 0 438.568 3.991 50 0 IHAARN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)NC(C)(C)C ZINC000032983409 523734340 /nfs/dbraw/zinc/73/43/40/523734340.db2.gz CRGXJLCJUPIELT-GFCCVEGCSA-N 0 0 426.485 3.541 50 0 IHAARN CN1C2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2cccc(OCc3ccccc3)c2)NC1=O ZINC000035834700 523739007 /nfs/dbraw/zinc/73/90/07/523739007.db2.gz FFVXENGAGFPEIH-QHCPKHFHSA-N 0 0 429.476 3.851 50 0 IHAARN COc1ccc(C(=O)Nc2cnc3oc(-c4ccc(C(C)C)cc4)nn3c2=O)cc1OC ZINC000021724117 523761084 /nfs/dbraw/zinc/76/10/84/523761084.db2.gz DQWICMIBVDVWIT-UHFFFAOYSA-N 0 0 434.452 3.742 50 0 IHAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908253 523820853 /nfs/dbraw/zinc/82/08/53/523820853.db2.gz VUOYMOXLMPUBIW-OAQYLSRUSA-N 0 0 449.576 3.919 50 0 IHAARN COc1ccc(C)cc1NC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000021645577 523823542 /nfs/dbraw/zinc/82/35/42/523823542.db2.gz PLVVTUARQLVROV-UHFFFAOYSA-N 0 0 443.507 3.734 50 0 IHAARN CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000022914639 523863571 /nfs/dbraw/zinc/86/35/71/523863571.db2.gz LAOGBMMQGHSJGP-UHFFFAOYSA-N 0 0 439.947 3.709 50 0 IHAARN CCc1ccc(-n2ncc3c2ncn(Cc2nc(-c4ccc(Cl)cc4)no2)c3=O)cc1 ZINC000033293098 523869283 /nfs/dbraw/zinc/86/92/83/523869283.db2.gz VQHPPQAWVVYYPI-UHFFFAOYSA-N 0 0 432.871 3.896 50 0 IHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3nc4ccccc4o3)C2=O)cc1 ZINC000012758220 523869571 /nfs/dbraw/zinc/86/95/71/523869571.db2.gz YOKQSPYKBWBXSN-UHFFFAOYSA-N 0 0 443.459 3.841 50 0 IHAARN COc1ccc(CC(=O)NC(=S)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000012293036 523898228 /nfs/dbraw/zinc/89/82/28/523898228.db2.gz XAVGRQUIQMDYSL-UHFFFAOYSA-N 0 0 439.581 3.838 50 0 IHAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)S2(=O)=O)cc1 ZINC000035504332 523902200 /nfs/dbraw/zinc/90/22/00/523902200.db2.gz NRMZQRKHJJRDPQ-UHFFFAOYSA-N 0 0 426.538 3.914 50 0 IHAARN COc1ccc(CCC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000035552952 523918252 /nfs/dbraw/zinc/91/82/52/523918252.db2.gz QBHWJLVXOFBSII-UHFFFAOYSA-N 0 0 432.524 3.904 50 0 IHAARN CCc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000018350819 523919254 /nfs/dbraw/zinc/91/92/54/523919254.db2.gz AMMCLKQMKUJUEB-AREMUKBSSA-N 0 0 435.568 3.972 50 0 IHAARN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1CCc1ccc(Cl)cc1 ZINC000035405790 523922330 /nfs/dbraw/zinc/92/23/30/523922330.db2.gz XHUNLATZLSHQNQ-QFIPXVFZSA-N 0 0 445.972 3.576 50 0 IHAARN CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)COCc1ccccc1 ZINC000035766949 523925613 /nfs/dbraw/zinc/92/56/13/523925613.db2.gz NXPGFGVYSFQFOM-REWPJTCUSA-N 0 0 442.556 3.631 50 0 IHAARN COCCNC(=O)c1cccc(CSc2nc(COC)cc(N3CCCC[C@@H]3C)n2)c1 ZINC000036061618 523927389 /nfs/dbraw/zinc/92/73/89/523927389.db2.gz KYIMCZYJXGOABM-KRWDZBQOSA-N 0 0 444.601 3.670 50 0 IHAARN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012281538 523951976 /nfs/dbraw/zinc/95/19/76/523951976.db2.gz AGFJPJMGHFYIED-SFTDATJTSA-N 0 0 426.582 3.849 50 0 IHAARN COc1ccc(CCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000012854149 523956527 /nfs/dbraw/zinc/95/65/27/523956527.db2.gz AIPRXQTUQHFFRI-UHFFFAOYSA-N 0 0 438.549 3.558 50 0 IHAARN CCc1ccc(N2C[C@H](C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000021600983 523964591 /nfs/dbraw/zinc/96/45/91/523964591.db2.gz RHMWNJIFCCSWJF-GCJKJVERSA-N 0 0 436.943 3.895 50 0 IHAARN COc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)c(OC)c1 ZINC000021529981 523968539 /nfs/dbraw/zinc/96/85/39/523968539.db2.gz FXTGEBGBEWEGGM-UHFFFAOYSA-N 0 0 435.524 3.603 50 0 IHAARN CN(C)C(=O)CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC000012223949 523973990 /nfs/dbraw/zinc/97/39/90/523973990.db2.gz UGGVNSSFCFVJSU-FQEVSTJZSA-N 0 0 441.503 3.806 50 0 IHAARN CN(C)C(=O)CSc1ccccc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000012684859 523996873 /nfs/dbraw/zinc/99/68/73/523996873.db2.gz JKBZLXUPJSIEJA-UHFFFAOYSA-N 0 0 437.517 3.819 50 0 IHAARN CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 ZINC000012795984 524005314 /nfs/dbraw/zinc/00/53/14/524005314.db2.gz MOBKGTHGRRDXOU-UHFFFAOYSA-N 0 0 428.554 3.679 50 0 IHAARN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4nccs4)CC3)C2=O)cc1 ZINC000014747401 524019366 /nfs/dbraw/zinc/01/93/66/524019366.db2.gz ZREJVUQOPLQRHQ-UHFFFAOYSA-N 0 0 442.585 3.607 50 0 IHAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036003865 524022887 /nfs/dbraw/zinc/02/28/87/524022887.db2.gz OWJCBTLCGMYAPW-KRWDZBQOSA-N 0 0 434.558 3.645 50 0 IHAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)c2ccco2)cc1 ZINC000036048247 524038809 /nfs/dbraw/zinc/03/88/09/524038809.db2.gz IDQBSDBSYSHHOU-NRFANRHFSA-N 0 0 436.508 3.835 50 0 IHAARN COc1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000032995409 524047647 /nfs/dbraw/zinc/04/76/47/524047647.db2.gz KDCJYARDBGHFGH-UHFFFAOYSA-N 0 0 428.489 3.577 50 0 IHAARN COc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000035561948 524062142 /nfs/dbraw/zinc/06/21/42/524062142.db2.gz SWHAFSBIFAJTMZ-KRWDZBQOSA-N 0 0 449.551 3.990 50 0 IHAARN CNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000012553118 524078230 /nfs/dbraw/zinc/07/82/30/524078230.db2.gz CLGMNXSSZOIVAG-OAQYLSRUSA-N 0 0 432.480 3.556 50 0 IHAARN COc1cccc([C@@H](C)NC(=O)c2cn(CC3CCCCC3)cc(C(=O)N(C)C)c2=O)c1 ZINC000014993346 524089246 /nfs/dbraw/zinc/08/92/46/524089246.db2.gz IQYYQWCVXVNFTP-QGZVFWFLSA-N 0 0 439.556 3.630 50 0 IHAARN Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000035178771 524105498 /nfs/dbraw/zinc/10/54/98/524105498.db2.gz URHCMVTZJVTWDM-QHCPKHFHSA-N 0 0 429.520 3.869 50 0 IHAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000012856847 524126252 /nfs/dbraw/zinc/12/62/52/524126252.db2.gz BUEPDSHICQIIAM-UHFFFAOYSA-N 0 0 437.569 3.565 50 0 IHAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccccc5C)CC4)nn32)c1 ZINC000033260256 524127251 /nfs/dbraw/zinc/12/72/51/524127251.db2.gz NUMPARPZZWBVME-UHFFFAOYSA-N 0 0 440.551 3.941 50 0 IHAARN Cc1ccc(C)c(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)c1 ZINC000020981300 524155850 /nfs/dbraw/zinc/15/58/50/524155850.db2.gz RZODHLUIKSOLPJ-JOCHJYFZSA-N 0 0 443.569 3.520 50 0 IHAARN COc1ccc(C[C@]2(CCC(=O)N(C)Cc3c(C)n[nH]c3C)CCC(=O)N2)c2ccccc12 ZINC000014982996 524157616 /nfs/dbraw/zinc/15/76/16/524157616.db2.gz BTADZGBJBFZIGM-AREMUKBSSA-N 0 0 448.567 3.818 50 0 IHAARN Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000012683464 524191130 /nfs/dbraw/zinc/19/11/30/524191130.db2.gz SEDKHXNZLBDNHE-UHFFFAOYSA-N 0 0 429.687 3.867 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000021579816 524194860 /nfs/dbraw/zinc/19/48/60/524194860.db2.gz BMMLMKBQJPUSSZ-UHFFFAOYSA-N 0 0 441.837 3.812 50 0 IHAARN C[C@@H](C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937588 524209611 /nfs/dbraw/zinc/20/96/11/524209611.db2.gz VPGNIBNLKXJDSJ-KRWDZBQOSA-N 0 0 443.544 3.832 50 0 IHAARN Cc1ccc(C)n1-c1nn(CC(=O)NCc2ccc3c(c2)OCO3)c2nc(C)cc(C)c12 ZINC000015735944 524222059 /nfs/dbraw/zinc/22/20/59/524222059.db2.gz LFDKPHFSSMNSJZ-UHFFFAOYSA-N 0 0 431.496 3.501 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000012371147 524227833 /nfs/dbraw/zinc/22/78/33/524227833.db2.gz OHIZWTFQEFBXCZ-UHFFFAOYSA-N 0 0 441.900 3.502 50 0 biogenic,in-vitro IHAARN Cc1ccc(CC(=O)N(C)CCc2noc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)cc1 ZINC000033273645 524244843 /nfs/dbraw/zinc/24/48/43/524244843.db2.gz CFHSQTSNSBIHDJ-UHFFFAOYSA-N 0 0 446.551 3.915 50 0 IHAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012549913 524262834 /nfs/dbraw/zinc/26/28/34/524262834.db2.gz KQTLASXLCDOGMH-HNNXBMFYSA-N 0 0 435.446 3.626 50 0 IHAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NC4CCCC4)c3c2=O)cc1 ZINC000035400066 524263860 /nfs/dbraw/zinc/26/38/60/524263860.db2.gz MVTVTVUTWQZYLI-UHFFFAOYSA-N 0 0 444.535 3.775 50 0 IHAARN COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)on1 ZINC000012767561 524268205 /nfs/dbraw/zinc/26/82/05/524268205.db2.gz OUNIPBUZZFTXPA-UHFFFAOYSA-N 0 0 447.944 3.510 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000013006474 524275627 /nfs/dbraw/zinc/27/56/27/524275627.db2.gz RCCOPHGYTOPUTF-SFHVURJKSA-N 0 0 429.948 3.507 50 0 IHAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1cc(C)on1)nnc2C(C)C ZINC000023137900 524308728 /nfs/dbraw/zinc/30/87/28/524308728.db2.gz ABUOLEULPCZILK-UHFFFAOYSA-N 0 0 438.513 3.975 50 0 IHAARN COc1ccccc1C(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c21 ZINC000012555073 524355874 /nfs/dbraw/zinc/35/58/74/524355874.db2.gz UGSZBWYMAIWETN-UHFFFAOYSA-N 0 0 425.510 3.646 50 0 IHAARN C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000012851335 524356668 /nfs/dbraw/zinc/35/66/68/524356668.db2.gz XOWPDZVOYUWAEO-KRWDZBQOSA-N 0 0 433.474 3.982 50 0 IHAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000020820166 524357487 /nfs/dbraw/zinc/35/74/87/524357487.db2.gz VAFWURYGRHLKGY-CALCHBBNSA-N 0 0 436.508 3.549 50 0 IHAARN COc1ccc(N(CC(F)(F)F)C(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328383 524365754 /nfs/dbraw/zinc/36/57/54/524365754.db2.gz MAQDCAGSYFSSGU-KRWDZBQOSA-N 0 0 449.473 3.941 50 0 IHAARN COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000012685326 524368807 /nfs/dbraw/zinc/36/88/07/524368807.db2.gz BIBIAQOIKRTSPA-UHFFFAOYSA-N 0 0 441.553 3.935 50 0 IHAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)C1 ZINC000020602008 524373594 /nfs/dbraw/zinc/37/35/94/524373594.db2.gz QXKCDNNNAIYTPF-GOSISDBHSA-N 0 0 446.294 3.774 50 0 IHAARN COc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000035558415 524398773 /nfs/dbraw/zinc/39/87/73/524398773.db2.gz CCUMWVOXULMHBO-AREMUKBSSA-N 0 0 430.504 3.982 50 0 IHAARN Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020581579 524411248 /nfs/dbraw/zinc/41/12/48/524411248.db2.gz RPAQFZZWAXYVRF-RTBURBONSA-N 0 0 438.471 3.930 50 0 IHAARN Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1 ZINC000017010569 524416031 /nfs/dbraw/zinc/41/60/31/524416031.db2.gz LNSYYVXDAUGPPC-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(CN3C[C@@H](c4ccccc4)CC3=O)n2C)c1 ZINC000012445737 524421677 /nfs/dbraw/zinc/42/16/77/524421677.db2.gz JGSOEXPEKWNXQT-IBGZPJMESA-N 0 0 449.580 3.679 50 0 IHAARN Cc1cc(C)cc(OCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000012445739 524440236 /nfs/dbraw/zinc/44/02/36/524440236.db2.gz DDCYIMUBXHIZFE-PSWAGMNNSA-N 0 0 438.568 3.922 50 0 IHAARN COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC ZINC000020746126 524476134 /nfs/dbraw/zinc/47/61/34/524476134.db2.gz GCIULFBUCXMCFU-UHFFFAOYSA-N 0 0 425.460 3.628 50 0 IHAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2)n1 ZINC000012932057 524480130 /nfs/dbraw/zinc/48/01/30/524480130.db2.gz VWOPCWTVVQNIIO-UHFFFAOYSA-N 0 0 445.567 3.502 50 0 IHAARN COc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 ZINC000008432217 524481583 /nfs/dbraw/zinc/48/15/83/524481583.db2.gz GYHPUEIGMMJWDZ-UHFFFAOYSA-N 0 0 448.541 3.812 50 0 IHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(OC)c1 ZINC000035480423 524482448 /nfs/dbraw/zinc/48/24/48/524482448.db2.gz KVOQAUKWKKVBRH-UHFFFAOYSA-N 0 0 444.509 3.778 50 0 IHAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)NC3CCCCC3)c3ccccc32)C[C@H](C)O1 ZINC000017246615 524489355 /nfs/dbraw/zinc/48/93/55/524489355.db2.gz OPXVKFBFANXIDI-ROUUACIJSA-N 0 0 443.613 3.818 50 0 IHAARN COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1Cl ZINC000002979138 524490930 /nfs/dbraw/zinc/49/09/30/524490930.db2.gz GDHBQZFJMQSMSP-UHFFFAOYSA-N 0 0 447.738 3.516 50 0 IHAARN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012782865 524533462 /nfs/dbraw/zinc/53/34/62/524533462.db2.gz JRDHZEQHJNKQSP-GHTZIAJQSA-N 0 0 439.556 3.858 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nc5cccnc5s4)CC3)CC2)c1C ZINC000020996235 524543737 /nfs/dbraw/zinc/54/37/37/524543737.db2.gz LQNVXVKOSXOISN-UHFFFAOYSA-N 0 0 435.597 3.873 50 0 IHAARN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021157013 524544856 /nfs/dbraw/zinc/54/48/56/524544856.db2.gz CZPFUUHNCHUNBS-DEOSSOPVSA-N 0 0 434.561 3.735 50 0 IHAARN COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2cccc(C)c2)C3)CC1 ZINC000034898632 524552249 /nfs/dbraw/zinc/55/22/49/524552249.db2.gz JNXLDYYIXARSLB-OAQYLSRUSA-N 0 0 430.552 3.893 50 0 IHAARN Cc1ccc(CNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)o1 ZINC000035458946 524564221 /nfs/dbraw/zinc/56/42/21/524564221.db2.gz RFAPXNNZMLTFNC-HSZRJFAPSA-N 0 0 443.503 3.669 50 0 IHAARN Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)c1C ZINC000012763898 524586856 /nfs/dbraw/zinc/58/68/56/524586856.db2.gz MZCFVWSOJHBVCA-UHFFFAOYSA-N 0 0 443.960 3.601 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC(F)F)cc1 ZINC000012289287 524587803 /nfs/dbraw/zinc/58/78/03/524587803.db2.gz VOGOUAOYRZXLDN-GOSISDBHSA-N 0 0 427.411 3.816 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2ccccc2nc(-c2ccccc2NC(C)=O)c1=O ZINC000020899521 524604702 /nfs/dbraw/zinc/60/47/02/524604702.db2.gz OKBHGNRCXVFULQ-UHFFFAOYSA-N 0 0 442.475 3.669 50 0 IHAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000024672538 524611355 /nfs/dbraw/zinc/61/13/55/524611355.db2.gz KGRCJBMOXZHYLE-QFIPXVFZSA-N 0 0 435.549 3.895 50 0 IHAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cccc(NC(C)=O)c2)cs1 ZINC000015880771 524617331 /nfs/dbraw/zinc/61/73/31/524617331.db2.gz PEJQDWCWUOYLBA-UHFFFAOYSA-N 0 0 439.497 3.935 50 0 IHAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)cc1OC ZINC000021872351 524632818 /nfs/dbraw/zinc/63/28/18/524632818.db2.gz DZSFRZZJHDKRDA-UHFFFAOYSA-N 0 0 435.505 3.990 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)cc1 ZINC000012557112 524637004 /nfs/dbraw/zinc/63/70/04/524637004.db2.gz SRMYGABNNCVRAC-HNNXBMFYSA-N 0 0 426.494 3.802 50 0 IHAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)NCc4ccccc4)n3c2)c1 ZINC000033284348 524662402 /nfs/dbraw/zinc/66/24/02/524662402.db2.gz QENHXZCWHSWQDL-UHFFFAOYSA-N 0 0 431.521 3.699 50 0 IHAARN COc1ccc(NC(=O)c2sc(C)nc2-c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000012898684 524662311 /nfs/dbraw/zinc/66/23/11/524662311.db2.gz PKLUXQKRLMYTAY-UHFFFAOYSA-N 0 0 431.539 3.630 50 0 IHAARN Cc1ccc(Cl)cc1N(C)C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574334 524726419 /nfs/dbraw/zinc/72/64/19/524726419.db2.gz GRMICNXHXQGIGI-UHFFFAOYSA-N 0 0 426.835 3.815 50 0 IHAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1C(=O)NCc1cccnc1 ZINC000036055128 524758622 /nfs/dbraw/zinc/75/86/22/524758622.db2.gz RPDBABPABFTZOT-GOTSBHOMSA-N 0 0 429.520 3.571 50 0 IHAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCc3ccccn3)c2=O)cc1 ZINC000033006712 524770267 /nfs/dbraw/zinc/77/02/67/524770267.db2.gz DSJUAGKEODDLAW-UHFFFAOYSA-N 0 0 430.533 3.557 50 0 IHAARN Cc1cccc(Oc2nc3ccccc3n3c2nn(CC(=O)NCCC(C)C)c3=O)c1C ZINC000035425309 524788645 /nfs/dbraw/zinc/78/86/45/524788645.db2.gz KLPMVTCPBAPTOD-UHFFFAOYSA-N 0 0 433.512 3.616 50 0 IHAARN COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000022913010 524827413 /nfs/dbraw/zinc/82/74/13/524827413.db2.gz ZYVKNTDBBOJFBW-UHFFFAOYSA-N 0 0 438.355 3.767 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3cc(OC)ccc3OC)nc2)c1 ZINC000017101301 524865295 /nfs/dbraw/zinc/86/52/95/524865295.db2.gz JZQHXELAOJQVGC-UHFFFAOYSA-N 0 0 437.452 3.621 50 0 IHAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000035672068 524875687 /nfs/dbraw/zinc/87/56/87/524875687.db2.gz GPTOXDAOOPUAPX-UHFFFAOYSA-N 0 0 443.525 3.631 50 0 IHAARN COc1cn(-c2ccccc2)nc1C(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000011918773 524886366 /nfs/dbraw/zinc/88/63/66/524886366.db2.gz AXEKJQMUFFYRSK-UHFFFAOYSA-N 0 0 449.507 3.836 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NC(C)C)c1 ZINC000036045390 524896952 /nfs/dbraw/zinc/89/69/52/524896952.db2.gz WLTIMCXKSCMXKW-VQTJNVASSA-N 0 0 430.932 3.738 50 0 IHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000036059416 524897740 /nfs/dbraw/zinc/89/77/40/524897740.db2.gz XUDFUQKWTLRLPV-GOTSBHOMSA-N 0 0 436.552 3.881 50 0 IHAARN COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c1 ZINC000035142816 524913105 /nfs/dbraw/zinc/91/31/05/524913105.db2.gz RCYIHEJNXCGACT-MRXNPFEDSA-N 0 0 444.281 3.798 50 0 IHAARN COc1ccc(OC)c([C@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036059519 524914766 /nfs/dbraw/zinc/91/47/66/524914766.db2.gz ZTCNLZVJXVGWGD-PKTZIBPZSA-N 0 0 438.568 3.951 50 0 IHAARN C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000016108746 524926090 /nfs/dbraw/zinc/92/60/90/524926090.db2.gz BUDDYFGUDOLLTH-ZDUSSCGKSA-N 0 0 438.343 3.693 50 0 IHAARN Cc1cccc2c(C)cc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nc12 ZINC000012568886 524929166 /nfs/dbraw/zinc/92/91/66/524929166.db2.gz LJIQFEGVXASICJ-SFHVURJKSA-N 0 0 432.611 3.902 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000033268477 524986954 /nfs/dbraw/zinc/98/69/54/524986954.db2.gz DFQWZQKWPNQFEH-UHFFFAOYSA-N 0 0 437.880 3.716 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000012632677 525000103 /nfs/dbraw/zinc/00/01/03/525000103.db2.gz CGDSBCXGAQETDO-UHFFFAOYSA-N 0 0 447.738 3.614 50 0 IHAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000012697447 525016691 /nfs/dbraw/zinc/01/66/91/525016691.db2.gz KLVUCTZWIAAKSZ-UHFFFAOYSA-N 0 0 437.930 3.833 50 0 IHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000012560477 525044229 /nfs/dbraw/zinc/04/42/29/525044229.db2.gz QVBFRXBASPNMDB-UHFFFAOYSA-N 0 0 437.521 3.507 50 0 IHAARN Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1Br ZINC000012809897 525051149 /nfs/dbraw/zinc/05/11/49/525051149.db2.gz ZPVXMXGHFGDXAS-UHFFFAOYSA-N 0 0 444.373 3.724 50 0 IHAARN Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCCC1 ZINC000023114167 525069683 /nfs/dbraw/zinc/06/96/83/525069683.db2.gz BVRRLYNKSUVASQ-UHFFFAOYSA-N 0 0 438.496 3.855 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1Br ZINC000012550074 525070930 /nfs/dbraw/zinc/07/09/30/525070930.db2.gz FTRHYCDQBWRDED-ZDUSSCGKSA-N 0 0 436.331 3.683 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1Br ZINC000012550075 525074535 /nfs/dbraw/zinc/07/45/35/525074535.db2.gz FTRHYCDQBWRDED-CYBMUJFWSA-N 0 0 436.331 3.683 50 0 IHAARN Cc1ccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc1 ZINC000033301357 525075686 /nfs/dbraw/zinc/07/56/86/525075686.db2.gz MCUXKACNEMCVQJ-UHFFFAOYSA-N 0 0 437.544 3.982 50 0 IHAARN Cc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)c(C)c1 ZINC000012494454 525083427 /nfs/dbraw/zinc/08/34/27/525083427.db2.gz PNDIURFMTSMDDY-UHFFFAOYSA-N 0 0 428.587 3.862 50 0 IHAARN C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000016046251 525086233 /nfs/dbraw/zinc/08/62/33/525086233.db2.gz KRAODQSKMTWWES-CYBMUJFWSA-N 0 0 435.596 3.693 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3c(c(=O)n4nc(-c5ccccc5)nc42)CCC3)cc1Cl ZINC000021807677 525099211 /nfs/dbraw/zinc/09/92/11/525099211.db2.gz YOUXIIKHKBOSPS-UHFFFAOYSA-N 0 0 433.899 3.647 50 0 IHAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)/C=C/c1ccc(C(N)=O)cc1)OCCO3 ZINC000024749226 525116656 /nfs/dbraw/zinc/11/66/56/525116656.db2.gz DWMJAKDZAHTGKX-NADMHLTPSA-N 0 0 432.520 3.985 50 0 IHAARN Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000012921492 525132982 /nfs/dbraw/zinc/13/29/82/525132982.db2.gz NVHJKHIXNGVITF-UHFFFAOYSA-N 0 0 446.338 3.997 50 0 IHAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(S(C)(=O)=O)cc1 ZINC000012559692 525140624 /nfs/dbraw/zinc/14/06/24/525140624.db2.gz IHTPQBSMQHXNHA-OAHLLOKOSA-N 0 0 439.562 3.886 50 0 IHAARN C[C@@H](NC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)c1ccccc1 ZINC000033068546 525141495 /nfs/dbraw/zinc/14/14/95/525141495.db2.gz MOYUZNNVPSPNEO-QGZVFWFLSA-N 0 0 447.922 3.742 50 0 IHAARN CS(=O)(=O)N1CCc2cc(C(=O)OCc3ncc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000021490112 525186147 /nfs/dbraw/zinc/18/61/47/525186147.db2.gz YKUSXTYVFLDYBK-UHFFFAOYSA-N 0 0 432.885 3.674 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)N2CCOCC2)cc1 ZINC000012926366 525187075 /nfs/dbraw/zinc/18/70/75/525187075.db2.gz GLKNLIUIDQUHJL-RUZDIDTESA-N 0 0 433.552 3.859 50 0 IHAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021856883 525196689 /nfs/dbraw/zinc/19/66/89/525196689.db2.gz VJRSVDNPEWQVBV-AREMUKBSSA-N 0 0 445.519 3.844 50 0 IHAARN Cc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)c(Br)c1 ZINC000012909799 525211454 /nfs/dbraw/zinc/21/14/54/525211454.db2.gz WJFSULMBEUNJPQ-AWEZNQCLSA-N 0 0 436.375 3.604 50 0 IHAARN Cc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000021535822 525217058 /nfs/dbraw/zinc/21/70/58/525217058.db2.gz CAZATPOTIFWLDC-NRFANRHFSA-N 0 0 443.569 3.602 50 0 IHAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000012728609 525217174 /nfs/dbraw/zinc/21/71/74/525217174.db2.gz GWPMJQLTLKLIGG-UHFFFAOYSA-N 0 0 439.522 3.620 50 0 IHAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1cccc2ccccc21 ZINC000012688402 525217428 /nfs/dbraw/zinc/21/74/28/525217428.db2.gz DMWFIZKNKPBENR-HNNXBMFYSA-N 0 0 446.536 3.585 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1 ZINC000012521279 525220380 /nfs/dbraw/zinc/22/03/80/525220380.db2.gz VLWSNLHDWWXUCK-SCLBCKFNSA-N 0 0 442.459 3.804 50 0 IHAARN CS(=O)(=O)Nc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000012548659 525223422 /nfs/dbraw/zinc/22/34/22/525223422.db2.gz IIWNEJOHKUYVLX-UHFFFAOYSA-N 0 0 446.532 3.841 50 0 IHAARN Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)no1 ZINC000012135773 525230007 /nfs/dbraw/zinc/23/00/07/525230007.db2.gz VQRHPSFVGKZRBA-INIZCTEOSA-N 0 0 426.546 3.669 50 0 IHAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012757831 525243187 /nfs/dbraw/zinc/24/31/87/525243187.db2.gz CIKBHLFFYCMSJQ-QHCPKHFHSA-N 0 0 442.581 3.768 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)NCCC(C)C)c(OC)c1 ZINC000036061993 525256785 /nfs/dbraw/zinc/25/67/85/525256785.db2.gz BGNKJGJOVTXKJS-OALUTQOASA-N 0 0 430.570 3.783 50 0 IHAARN COc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012880671 525256984 /nfs/dbraw/zinc/25/69/84/525256984.db2.gz QHAKCBXNRUCPEX-FNZWTVRRSA-N 0 0 431.536 3.864 50 0 biogenic IHAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CSc2nc3ccccc3s2)n1 ZINC000012682416 525274007 /nfs/dbraw/zinc/27/40/07/525274007.db2.gz BZBYXYSWOPSGSO-UHFFFAOYSA-N 0 0 438.538 3.951 50 0 IHAARN C[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000009765565 525281004 /nfs/dbraw/zinc/28/10/04/525281004.db2.gz DQLIKKANESXBIC-SJORKVTESA-N 0 0 433.533 3.658 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)ccc2C)cc1 ZINC000012761205 525296257 /nfs/dbraw/zinc/29/62/57/525296257.db2.gz OUTYTCZQUORLJQ-FQEVSTJZSA-N 0 0 441.553 3.730 50 0 IHAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)o1 ZINC000020240598 525325070 /nfs/dbraw/zinc/32/50/70/525325070.db2.gz PXJLPEJGXVPWRQ-UHFFFAOYSA-N 0 0 438.549 3.520 50 0 IHAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000022193782 525346746 /nfs/dbraw/zinc/34/67/46/525346746.db2.gz NWCWLMRJOFXQDB-SFHVURJKSA-N 0 0 433.888 3.933 50 0 IHAARN C[C@@H]1C[C@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 ZINC000014596053 525388512 /nfs/dbraw/zinc/38/85/12/525388512.db2.gz ZHJYMKWQVDQBHK-GASCZTMLSA-N 0 0 442.541 3.788 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1C ZINC000012747185 525390972 /nfs/dbraw/zinc/39/09/72/525390972.db2.gz KFQSYBBONUJLHZ-UHFFFAOYSA-N 0 0 428.554 3.644 50 0 IHAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000021770493 525398046 /nfs/dbraw/zinc/39/80/46/525398046.db2.gz QZOIOKVALFHIAC-UHFFFAOYSA-N 0 0 431.539 3.532 50 0 IHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCC2CC2)c(OC)c1 ZINC000036061937 525422564 /nfs/dbraw/zinc/42/25/64/525422564.db2.gz ZXKSDACQDZXVSW-WOJBJXKFSA-N 0 0 442.943 3.739 50 0 IHAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C ZINC000012768393 525428228 /nfs/dbraw/zinc/42/82/28/525428228.db2.gz UQPDHNKJBKMEIR-UHFFFAOYSA-N 0 0 433.917 3.831 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012683580 525439192 /nfs/dbraw/zinc/43/91/92/525439192.db2.gz JJQBFNOSOXIFGQ-LJQANCHMSA-N 0 0 439.581 3.753 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)c3ccncc3)CC2)cc1 ZINC000012822214 525519979 /nfs/dbraw/zinc/51/99/79/525519979.db2.gz YQYXOVMTXAEEIC-XMMPIXPASA-N 0 0 449.576 3.697 50 0 IHAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2oc1-c1ccccc1 ZINC000012541912 525524343 /nfs/dbraw/zinc/52/43/43/525524343.db2.gz GFLQKRWRAKSXNR-IYBDPMFKSA-N 0 0 435.476 3.561 50 0 IHAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021157030 525559651 /nfs/dbraw/zinc/55/96/51/525559651.db2.gz LAXGCZZHWMCWPI-HSZRJFAPSA-N 0 0 438.524 3.566 50 0 IHAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012906667 525578494 /nfs/dbraw/zinc/57/84/94/525578494.db2.gz VDKLHNLYQYOSAX-QGZVFWFLSA-N 0 0 440.487 3.888 50 0 IHAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000012528364 525582300 /nfs/dbraw/zinc/58/23/00/525582300.db2.gz RCQQOEJVIGCUKE-UHFFFAOYSA-N 0 0 429.446 3.553 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000023043520 525586757 /nfs/dbraw/zinc/58/67/57/525586757.db2.gz HKOATAPKYFIFGB-OAHLLOKOSA-N 0 0 444.582 3.510 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000012762243 525593336 /nfs/dbraw/zinc/59/33/36/525593336.db2.gz NLFYBTLLXYUERB-VQTJNVASSA-N 0 0 432.973 3.792 50 0 IHAARN COc1ccc2c(c1)c1nc(SCC(=O)Nc3cccc(C)c3C)n(C)c(=O)c1n2C ZINC000033287713 525604716 /nfs/dbraw/zinc/60/47/16/525604716.db2.gz OQLLDHABZLTDAH-UHFFFAOYSA-N 0 0 436.537 3.781 50 0 IHAARN COc1ccc2c(c1)n(CC(=O)Nc1ccc(F)c(F)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535244 525607287 /nfs/dbraw/zinc/60/72/87/525607287.db2.gz WNNVXUMEMKFAAU-UHFFFAOYSA-N 0 0 449.413 3.553 50 0 IHAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 ZINC000035396712 525630599 /nfs/dbraw/zinc/63/05/99/525630599.db2.gz CINGTNBSKCWFNK-UHFFFAOYSA-N 0 0 438.549 3.862 50 0 IHAARN COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(Br)cc3)ccc2c1 ZINC000021123758 525632039 /nfs/dbraw/zinc/63/20/39/525632039.db2.gz QNIGUGJFEPFCTB-UHFFFAOYSA-N 0 0 427.298 3.657 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000012908225 525638948 /nfs/dbraw/zinc/63/89/48/525638948.db2.gz WJGWFEHJXWNOIH-UHFFFAOYSA-N 0 0 436.537 3.783 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000012916198 525639222 /nfs/dbraw/zinc/63/92/22/525639222.db2.gz ZIFHWAYWIQFFEG-UHFFFAOYSA-N 0 0 441.406 3.994 50 0 IHAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccnc1)C3=O ZINC000021855931 525643342 /nfs/dbraw/zinc/64/33/42/525643342.db2.gz AASPSCUDFKLYAM-SANMLTNESA-N 0 0 446.551 3.909 50 0 IHAARN Cc1ccc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000012867076 525646503 /nfs/dbraw/zinc/64/65/03/525646503.db2.gz SPLDKJRCWNKPNW-UHFFFAOYSA-N 0 0 432.611 3.887 50 0 IHAARN COc1ccc2nc(N(CCn3cccn3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000022602991 525669348 /nfs/dbraw/zinc/66/93/48/525669348.db2.gz ZTNIHLANQRKUFC-UHFFFAOYSA-N 0 0 436.493 3.620 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)cc1 ZINC000033309381 525674617 /nfs/dbraw/zinc/67/46/17/525674617.db2.gz WXUORRXTYJODTA-UHFFFAOYSA-N 0 0 443.891 3.782 50 0 IHAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCCc3ccccc3Cl)c(=O)c12 ZINC000020947183 525678593 /nfs/dbraw/zinc/67/85/93/525678593.db2.gz LQLGFRJQPJFDMY-UHFFFAOYSA-N 0 0 434.927 3.816 50 0 IHAARN Cc1cc2occ(CC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2cc1C(C)C ZINC000036719320 525696697 /nfs/dbraw/zinc/69/66/97/525696697.db2.gz BXPMLIPWWACSMQ-UHFFFAOYSA-N 0 0 425.529 3.778 50 0 IHAARN COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)c1 ZINC000036002397 525703680 /nfs/dbraw/zinc/70/36/80/525703680.db2.gz IEEGYVPXJUSXSV-JOCHJYFZSA-N 0 0 433.508 3.704 50 0 IHAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000041252825 525745842 /nfs/dbraw/zinc/74/58/42/525745842.db2.gz WJGCVAWLEICIDS-UHFFFAOYSA-N 0 0 430.552 3.574 50 0 IHAARN Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N2CCOCC2)o1 ZINC000012623088 525761663 /nfs/dbraw/zinc/76/16/63/525761663.db2.gz CPEHIKNYQCLRDZ-LJQANCHMSA-N 0 0 429.517 3.738 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc1C ZINC000022384010 525767345 /nfs/dbraw/zinc/76/73/45/525767345.db2.gz OZHIWXDTZVVNKU-QGZVFWFLSA-N 0 0 441.553 3.758 50 0 IHAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)c23)cc1 ZINC000022018460 525787030 /nfs/dbraw/zinc/78/70/30/525787030.db2.gz BDWFYLYDNSFSKS-UHFFFAOYSA-N 0 0 445.504 3.632 50 0 IHAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000021863885 525790306 /nfs/dbraw/zinc/79/03/06/525790306.db2.gz UQEVOMJNZHFTHL-VWLOTQADSA-N 0 0 447.491 3.955 50 0 IHAARN COc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000035483385 525801777 /nfs/dbraw/zinc/80/17/77/525801777.db2.gz JTTQOABTTMODII-KRWDZBQOSA-N 0 0 426.473 3.915 50 0 IHAARN COc1cccc(C(=O)NCCc2nnc(SCc3cccc(Cl)c3)n2C)c1OC ZINC000012326943 525819326 /nfs/dbraw/zinc/81/93/26/525819326.db2.gz LMYPRTXNCIDBKR-UHFFFAOYSA-N 0 0 446.960 3.751 50 0 IHAARN COc1cccc(C(=O)NCCNc2nc(C)nc3c2c(C)nn3-c2ccccc2C)c1 ZINC000036019674 525819684 /nfs/dbraw/zinc/81/96/84/525819684.db2.gz OEFSHSHSRMDSBY-UHFFFAOYSA-N 0 0 430.512 3.591 50 0 IHAARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC[C@@H]4CCCO4)n32)cc1 ZINC000012462062 525825069 /nfs/dbraw/zinc/82/50/69/525825069.db2.gz IVPJDOKMWPSRPH-KRWDZBQOSA-N 0 0 433.537 3.640 50 0 IHAARN Cc1c(NC(=O)CSc2nccn2-c2cccc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000012627554 525835573 /nfs/dbraw/zinc/83/55/73/525835573.db2.gz AZRILKHVAHHHCR-UHFFFAOYSA-N 0 0 433.537 3.709 50 0 IHAARN Cc1ccsc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000035673220 525844804 /nfs/dbraw/zinc/84/48/04/525844804.db2.gz NUOIXGLQRILOEY-UHFFFAOYSA-N 0 0 443.546 3.992 50 0 IHAARN Cc1ccc(-c2noc(C3CCN(C(=O)[C@H](NC(=O)c4ccco4)C(C)C)CC3)n2)cc1 ZINC000035375785 525875738 /nfs/dbraw/zinc/87/57/38/525875738.db2.gz VJQDFXZNKAWASS-HXUWFJFHSA-N 0 0 436.512 3.799 50 0 IHAARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4Br)CC3)n2)cc1 ZINC000012748928 525877457 /nfs/dbraw/zinc/87/74/57/525877457.db2.gz IFKNOCJDNGPYSO-UHFFFAOYSA-N 0 0 441.329 3.766 50 0 IHAARN C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000016695574 525887647 /nfs/dbraw/zinc/88/76/47/525887647.db2.gz NFEIIICLBGHDHI-GOSISDBHSA-N 0 0 446.503 3.879 50 0 IHAARN Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)cc1C ZINC000012588532 525892818 /nfs/dbraw/zinc/89/28/18/525892818.db2.gz FUBSIMYTBDEBSI-FQEVSTJZSA-N 0 0 442.610 3.764 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000012140748 525893643 /nfs/dbraw/zinc/89/36/43/525893643.db2.gz PPHOWYRLFSSSFV-UHFFFAOYSA-N 0 0 431.492 3.656 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc4C3)nnc2N2CCCC2)cc1 ZINC000012543198 525897546 /nfs/dbraw/zinc/89/75/46/525897546.db2.gz AAMUGAOWOIGKLN-UHFFFAOYSA-N 0 0 433.581 3.853 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nc3c2nc[nH]c3=O)cc1 ZINC000012462131 525900181 /nfs/dbraw/zinc/90/01/81/525900181.db2.gz GMBIVPHMCZJZKM-UHFFFAOYSA-N 0 0 425.901 3.801 50 0 biogenic,in-vitro IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)c1 ZINC000009211074 534891866 /nfs/dbraw/zinc/89/18/66/534891866.db2.gz XWHGRFHJQJSVKS-GOSISDBHSA-N 0 0 432.528 3.610 50 0 IHAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc4c3OCCO4)ccc2=O)cc1C ZINC000033039777 525930771 /nfs/dbraw/zinc/93/07/71/525930771.db2.gz NFNATTZDDVNWNT-INIZCTEOSA-N 0 0 437.521 3.740 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000036002005 525933923 /nfs/dbraw/zinc/93/39/23/525933923.db2.gz YGJUOJYZPKKANE-UHFFFAOYSA-N 0 0 444.514 3.924 50 0 IHAARN Cc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036001984 525934870 /nfs/dbraw/zinc/93/48/70/525934870.db2.gz CKGAJZCNRBDFNK-UHFFFAOYSA-N 0 0 430.487 3.534 50 0 IHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)NCc3ccco3)C1)nnc2C ZINC000020564804 525938668 /nfs/dbraw/zinc/93/86/68/525938668.db2.gz LXGYSEBVBVLXQD-GOSISDBHSA-N 0 0 430.512 3.558 50 0 IHAARN Cc1cn2c(nc(COc3cc(NC(=O)COc4ccccc4)ccc3C)cc2=O)s1 ZINC000041077357 525941877 /nfs/dbraw/zinc/94/18/77/525941877.db2.gz QFGQXPVNCXTWKV-UHFFFAOYSA-N 0 0 435.505 3.969 50 0 IHAARN Cc1cn2c(nc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2=O)s1 ZINC000020858811 525942795 /nfs/dbraw/zinc/94/27/95/525942795.db2.gz POQVQCYVKSFKGJ-UHFFFAOYSA-N 0 0 430.580 3.544 50 0 IHAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCN1CCOCC1)occ3C(C)(C)C ZINC000020548871 525964120 /nfs/dbraw/zinc/96/41/20/525964120.db2.gz QYWOXBUTLFTTGD-UHFFFAOYSA-N 0 0 440.540 3.526 50 0 IHAARN Cc1c2cnn(CC(=O)NCCc3ccccc3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866860 525992854 /nfs/dbraw/zinc/99/28/54/525992854.db2.gz CROVDLTZSKPCJA-UHFFFAOYSA-N 0 0 448.954 3.875 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000012796249 526002354 /nfs/dbraw/zinc/00/23/54/526002354.db2.gz URHZRHGXXYUEQJ-LSDHHAIUSA-N 0 0 434.521 3.665 50 0 IHAARN COc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033141730 526008475 /nfs/dbraw/zinc/00/84/75/526008475.db2.gz JFLCOYZQSKMWSN-UHFFFAOYSA-N 0 0 430.551 3.820 50 0 IHAARN C[C@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NC[C@H]1CCCO1 ZINC000021727020 526016838 /nfs/dbraw/zinc/01/68/38/526016838.db2.gz ANMOACWKOCKPHO-DOTOQJQBSA-N 0 0 433.537 3.720 50 0 IHAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000015095865 526040124 /nfs/dbraw/zinc/04/01/24/526040124.db2.gz IPWNRQFQDQDYKR-CQSZACIVSA-N 0 0 428.418 3.855 50 0 IHAARN Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)c2C)no1 ZINC000012854308 526070325 /nfs/dbraw/zinc/07/03/25/526070325.db2.gz GHOPOUQYQARHOT-RUZDIDTESA-N 0 0 446.507 3.747 50 0 IHAARN Cc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020614785 526089721 /nfs/dbraw/zinc/08/97/21/526089721.db2.gz SSBMSCUXZLORGJ-UHFFFAOYSA-N 0 0 442.581 3.574 50 0 IHAARN CSc1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000035402619 526112016 /nfs/dbraw/zinc/11/20/16/526112016.db2.gz CFOLUBGIDSVBCF-UHFFFAOYSA-N 0 0 441.578 3.722 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCCCC2)c(CC2CCCC2)n1CCCN1CCCC1=O ZINC000015072862 526125961 /nfs/dbraw/zinc/12/59/61/526125961.db2.gz RDNRBVDGDFKPAQ-UHFFFAOYSA-N 0 0 427.589 3.528 50 0 IHAARN Cc1ccc2c(COC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)cc(=O)oc2c1C ZINC000020921592 526132405 /nfs/dbraw/zinc/13/24/05/526132405.db2.gz JIGDQRTXEHYKOQ-SFHVURJKSA-N 0 0 428.872 3.906 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2nc(CN3CCCCC3)cs2)nn1-c1ccccc1Cl ZINC000022289960 526132658 /nfs/dbraw/zinc/13/26/58/526132658.db2.gz JLBSNRNPOTTXEC-UHFFFAOYSA-N 0 0 443.960 3.889 50 0 IHAARN Cc1cc(=O)c(C(=O)Nc2nc(CN3CCCCC3)cs2)nn1-c1ccc(Cl)cc1 ZINC000022290007 526132817 /nfs/dbraw/zinc/13/28/17/526132817.db2.gz UGXSJUHYKLCZFS-UHFFFAOYSA-N 0 0 443.960 3.889 50 0 IHAARN COc1cccc(N2CCN(C(=O)c3cnc(SC)n3-c3ccc(F)cc3)CC2)c1 ZINC000024576830 526152765 /nfs/dbraw/zinc/15/27/65/526152765.db2.gz WMSKEKPWEURINR-UHFFFAOYSA-N 0 0 426.517 3.704 50 0 IHAARN COc1cccc(N2C[C@@H]3C[C@@H](c4cc(OC)c(OC)cc4OC)N4CCC[C@@]34C2=O)c1 ZINC000012594695 526163022 /nfs/dbraw/zinc/16/30/22/526163022.db2.gz PYXGZHGDPQKDMJ-BLRRAGTOSA-N 0 0 438.524 3.663 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000012788533 526169309 /nfs/dbraw/zinc/16/93/09/526169309.db2.gz LANVABHOUMWOHK-UHFFFAOYSA-N 0 0 444.333 3.760 50 0 IHAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012926357 526173244 /nfs/dbraw/zinc/17/32/44/526173244.db2.gz OOENDFCEKSUTBR-ZDUSSCGKSA-N 0 0 431.286 3.520 50 0 IHAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 ZINC000012862239 526174366 /nfs/dbraw/zinc/17/43/66/526174366.db2.gz JIUGLYKSWGJQNA-UHFFFAOYSA-N 0 0 425.510 3.750 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000035535281 526184792 /nfs/dbraw/zinc/18/47/92/526184792.db2.gz ZIHLLBXLODGLFK-UHFFFAOYSA-N 0 0 447.878 3.928 50 0 IHAARN COc1cccc(OC)c1C(=O)N1CCOc2c(cc(-c3nc(C)cnc3C)cc2OC)C1 ZINC000012098906 526214325 /nfs/dbraw/zinc/21/43/25/526214325.db2.gz NFDXFMFHDBWJQG-UHFFFAOYSA-N 0 0 449.507 3.821 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)cc1 ZINC000021797066 526220930 /nfs/dbraw/zinc/22/09/30/526220930.db2.gz BMAATCWOGPHXDE-UHFFFAOYSA-N 0 0 431.496 3.920 50 0 IHAARN CSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 ZINC000041156877 526221759 /nfs/dbraw/zinc/22/17/59/526221759.db2.gz FRUWYQSYVKOWAI-KRWDZBQOSA-N 0 0 444.919 3.971 50 0 IHAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1 ZINC000022604704 526242187 /nfs/dbraw/zinc/24/21/87/526242187.db2.gz HDZIMQYRDSSZSI-OAQYLSRUSA-N 0 0 443.547 3.921 50 0 IHAARN Cc1ccc2nc(COc3ccccc3NC(=O)COc3ccccc3F)cc(=O)n2c1 ZINC000021100419 526250415 /nfs/dbraw/zinc/25/04/15/526250415.db2.gz OWGSXXYPFZPFCL-UHFFFAOYSA-N 0 0 433.439 3.739 50 0 IHAARN Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012924067 526268580 /nfs/dbraw/zinc/26/85/80/526268580.db2.gz DLHWWRJDUUFMAV-UHFFFAOYSA-N 0 0 432.590 3.683 50 0 IHAARN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022791636 526287471 /nfs/dbraw/zinc/28/74/71/526287471.db2.gz GMWYWPYJWLHWKB-DEOSSOPVSA-N 0 0 446.547 3.640 50 0 IHAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@H](CC(C)C)N3CCOCC3)cc12 ZINC000012869746 526295920 /nfs/dbraw/zinc/29/59/20/526295920.db2.gz SJDQYSHIFNXJCW-FQEVSTJZSA-N 0 0 440.613 3.931 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cn1c(=O)oc2ccccc21 ZINC000023731726 526297020 /nfs/dbraw/zinc/29/70/20/526297020.db2.gz QXOKOGLGIIOOAP-UHFFFAOYSA-N 0 0 438.915 3.768 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O)c1ccccc1O ZINC000035104227 526299786 /nfs/dbraw/zinc/29/97/86/526299786.db2.gz BEMXSROUAMVZKP-LFIBNONCSA-N 0 0 447.310 3.621 50 0 IHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1ccc(Cl)cc1F ZINC000012787321 526300624 /nfs/dbraw/zinc/30/06/24/526300624.db2.gz ZIBSWDJAIYQQMR-IUXPMGMMSA-N 0 0 448.859 3.674 50 0 IHAARN Cc1nn2c(nc(C)cc2N2CCN(c3nc(C)cc(C)n3)CC2)c1-c1ccc(F)cc1 ZINC000021798783 526311488 /nfs/dbraw/zinc/31/14/88/526311488.db2.gz YFQIMVZKBIJYHJ-UHFFFAOYSA-N 0 0 431.519 3.886 50 0 IHAARN Cc1nn2c(ncc3c2ccn(-c2ncccn2)c3=O)c1-c1ccc(Br)cc1 ZINC000020730262 526313080 /nfs/dbraw/zinc/31/30/80/526313080.db2.gz ZEOWOGPUQZHXOC-UHFFFAOYSA-N 0 0 433.269 3.561 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1C(F)(F)F ZINC000012443210 526359901 /nfs/dbraw/zinc/35/99/01/526359901.db2.gz NNQFRDMMLSBTSI-UHFFFAOYSA-N 0 0 427.386 3.619 50 0 IHAARN Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)s1 ZINC000012644626 526368518 /nfs/dbraw/zinc/36/85/18/526368518.db2.gz BQONGAMZTIYIPC-UHFFFAOYSA-N 0 0 427.493 3.954 50 0 IHAARN Oc1ccccc1Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 ZINC000022339869 526375629 /nfs/dbraw/zinc/37/56/29/526375629.db2.gz WRWKCOYVSHEBSI-UHFFFAOYSA-N 0 0 432.406 3.920 50 0 IHAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000012586830 526376119 /nfs/dbraw/zinc/37/61/19/526376119.db2.gz NCKLORVDJMHZPX-UHFFFAOYSA-N 0 0 440.931 3.532 50 0 IHAARN O=C(CCC1CCCC1)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012298134 526401655 /nfs/dbraw/zinc/40/16/55/526401655.db2.gz SEMXARZFTNLSJO-QFIPXVFZSA-N 0 0 426.605 3.719 50 0 IHAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000021863958 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O=C(NC(=S)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000000712173 555547525 /nfs/dbraw/zinc/54/75/25/555547525.db2.gz NCDOOVAFYKWWGF-UHFFFAOYSA-N 0 0 444.560 3.927 50 0 IHAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000000723881 555550804 /nfs/dbraw/zinc/55/08/04/555550804.db2.gz ZAWAAHYJCANNGZ-FQEVSTJZSA-N 0 0 440.521 3.613 50 0 IHAARN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c(OC)c1 ZINC000000806262 555559889 /nfs/dbraw/zinc/55/98/89/555559889.db2.gz AKOOAVRZBUEESK-JOCHJYFZSA-N 0 0 434.448 3.735 50 0 IHAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000000813917 555561088 /nfs/dbraw/zinc/56/10/88/555561088.db2.gz KNZATOSZNPNXDE-UHFFFAOYSA-N 0 0 441.538 3.743 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 ZINC000000816026 555562499 /nfs/dbraw/zinc/56/24/99/555562499.db2.gz JOUOINQMQDWZPJ-UHFFFAOYSA-N 0 0 441.455 3.556 50 0 IHAARN O=C(N/C(C(=O)N1CCOCC1)=C(\Sc1ccccn1)c1ccccc1)c1ccccc1 ZINC000000820644 555563502 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IHAARN CCC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000842630 555568177 /nfs/dbraw/zinc/56/81/77/555568177.db2.gz OOLKYWSTWDQFQK-GOSISDBHSA-N 0 0 429.314 3.562 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1OC ZINC000000844992 555568972 /nfs/dbraw/zinc/56/89/72/555568972.db2.gz YFPJQGUXUKHYHG-UHFFFAOYSA-N 0 0 446.385 3.955 50 0 IHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3n2)cc1 ZINC000000845013 555569036 /nfs/dbraw/zinc/56/90/36/555569036.db2.gz VSQRYFNZLRXSRT-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000000862836 555572981 /nfs/dbraw/zinc/57/29/81/555572981.db2.gz HQKPOPNVDVQWDE-GOSISDBHSA-N 0 0 431.876 3.632 50 0 IHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000000862837 555572990 /nfs/dbraw/zinc/57/29/90/555572990.db2.gz HQKPOPNVDVQWDE-SFHVURJKSA-N 0 0 431.876 3.632 50 0 IHAARN COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000000864523 555573209 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Cc1ccc(CN(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000920770 555584664 /nfs/dbraw/zinc/58/46/64/555584664.db2.gz BYWQPIJCMMLVQP-UHFFFAOYSA-N 0 0 443.956 3.551 50 0 IHAARN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000009664455 555585583 /nfs/dbraw/zinc/58/55/83/555585583.db2.gz IDKZFUYRFQMGNB-UHFFFAOYSA-N 0 0 444.553 3.664 50 0 IHAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000937012 555585992 /nfs/dbraw/zinc/58/59/92/555585992.db2.gz UPHAAEMAGYEKRO-UHFFFAOYSA-N 0 0 439.423 3.970 50 0 IHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C=Cc3ccccn3)c2)C1=O ZINC000009672433 555587059 /nfs/dbraw/zinc/58/70/59/555587059.db2.gz IZBSOIMFWUUUBS-AKNQKSQZSA-N 0 0 426.476 3.658 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCc1nnc(-c2ccccc2Br)o1 ZINC000009588320 555592046 /nfs/dbraw/zinc/59/20/46/555592046.db2.gz QEAOPCVLAYMSHH-SOFGYWHQSA-N 0 0 429.226 3.984 50 0 IHAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000000980497 555593337 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50 0 IHAARN Cc1nc(C(=O)NCc2cc(F)cc3c2OCOC3)sc1-c1ccc2c(c1)CCO2 ZINC000001030977 555605653 /nfs/dbraw/zinc/60/56/53/555605653.db2.gz DIDBUBMBWAMQKK-UHFFFAOYSA-N 0 0 426.469 3.989 50 0 IHAARN CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2oc1=O ZINC000001040715 555609593 /nfs/dbraw/zinc/60/95/93/555609593.db2.gz JEDUWQLGKBWCIG-UHFFFAOYSA-N 0 0 427.265 3.859 50 0 IHAARN CCOC(=O)Cc1nn(Cc2nc(-c3ccc(F)c(F)c3)cs2)c(=O)c2ccccc12 ZINC000001046834 555611221 /nfs/dbraw/zinc/61/12/21/555611221.db2.gz MMZAFWRLFPFTIR-UHFFFAOYSA-N 0 0 441.459 3.952 50 0 IHAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 ZINC000001051573 555613361 /nfs/dbraw/zinc/61/33/61/555613361.db2.gz YDOALASKYZYXEP-AWEZNQCLSA-N 0 0 425.348 3.859 50 0 IHAARN CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccc(C)cc1 ZINC000001053062 555613949 /nfs/dbraw/zinc/61/39/49/555613949.db2.gz JIANQYICAZESMO-NRFANRHFSA-N 0 0 449.598 3.648 50 0 IHAARN CCOC(=O)C1=C(CSc2ccccc2C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001069330 555620296 /nfs/dbraw/zinc/62/02/96/555620296.db2.gz VROAMSDLTHHURY-FQEVSTJZSA-N 0 0 426.494 3.687 50 0 IHAARN CCN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000001076882 555624602 /nfs/dbraw/zinc/62/46/02/555624602.db2.gz KYMNYUMQAYQYEL-UHFFFAOYSA-N 0 0 429.311 3.546 50 0 IHAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 ZINC000001077493 555624981 /nfs/dbraw/zinc/62/49/81/555624981.db2.gz CWIOXUIIEHWTNH-UHFFFAOYSA-N 0 0 438.738 3.806 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(Cl)c2)n1C ZINC000001111642 555631959 /nfs/dbraw/zinc/63/19/59/555631959.db2.gz XHZBMLBQWCQDKX-UHFFFAOYSA-N 0 0 443.960 3.692 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000001114158 555633471 /nfs/dbraw/zinc/63/34/71/555633471.db2.gz BGJQSUNPRDGVRD-WUXMJOGZSA-N 0 0 430.526 3.878 50 0 IHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)Nc1ccccc1C(N)=O ZINC000001115997 555634493 /nfs/dbraw/zinc/63/44/93/555634493.db2.gz GSORPTKALAYONS-UHFFFAOYSA-N 0 0 432.864 3.668 50 0 IHAARN CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001119761 555636954 /nfs/dbraw/zinc/63/69/54/555636954.db2.gz VOVPFKTZCQYZEL-UHFFFAOYSA-N 0 0 436.961 3.947 50 0 IHAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001120045 555637362 /nfs/dbraw/zinc/63/73/62/555637362.db2.gz XNJIDRMJGPGSME-UHFFFAOYSA-N 0 0 425.535 3.543 50 0 IHAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 ZINC000001127044 555641644 /nfs/dbraw/zinc/64/16/44/555641644.db2.gz NVURRBZEZMTTCS-UHFFFAOYSA-N 0 0 441.867 3.782 50 0 IHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(I)cc2)NC(=O)N1 ZINC000001132318 555645086 /nfs/dbraw/zinc/64/50/86/555645086.db2.gz RGCHYOBVMJTHAL-INIZCTEOSA-N 0 0 433.249 3.558 50 0 IHAARN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000001132905 555645676 /nfs/dbraw/zinc/64/56/76/555645676.db2.gz VAZKRISBOUWOMS-UHFFFAOYSA-N 0 0 434.974 3.998 50 0 IHAARN CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000001138448 555648441 /nfs/dbraw/zinc/64/84/41/555648441.db2.gz HRQIRJMZMWKSBD-UHFFFAOYSA-N 0 0 448.850 3.966 50 0 IHAARN COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1ccc(OC)c(Br)c1 ZINC000001140644 555649718 /nfs/dbraw/zinc/64/97/18/555649718.db2.gz JIZDQTRBCUVBQX-UHFFFAOYSA-N 0 0 438.318 3.627 50 0 IHAARN COc1ccc(-n2c(=O)c(C(=O)NCCc3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001149072 555655307 /nfs/dbraw/zinc/65/53/07/555655307.db2.gz AZFFXRZMMCJRRD-UHFFFAOYSA-N 0 0 444.531 3.974 50 0 IHAARN O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000001149992 555655861 /nfs/dbraw/zinc/65/58/61/555655861.db2.gz ZEMKSKRKSQISOI-UHFFFAOYSA-N 0 0 429.863 3.878 50 0 IHAARN COC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001151076 555656375 /nfs/dbraw/zinc/65/63/75/555656375.db2.gz FDFGTTHJQRYWDG-UHFFFAOYSA-N 0 0 444.553 3.744 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(C)c(C)c3)S2)cc1 ZINC000001153114 555657473 /nfs/dbraw/zinc/65/74/73/555657473.db2.gz LIMSSFOFKIBEHG-GOSISDBHSA-N 0 0 425.510 3.919 50 0 IHAARN CN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000001157116 555659543 /nfs/dbraw/zinc/65/95/43/555659543.db2.gz FVSMCUCAYZGBAY-UHFFFAOYSA-N 0 0 437.359 3.900 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001157411 555659858 /nfs/dbraw/zinc/65/98/58/555659858.db2.gz VKRHCYROFVQHSM-HSZRJFAPSA-N 0 0 446.528 3.579 50 0 aggregator IHAARN O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000001161990 555662374 /nfs/dbraw/zinc/66/23/74/555662374.db2.gz FPVFKBQQYCSTDR-UHFFFAOYSA-N 0 0 447.476 3.914 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)ccc1Br ZINC000001168959 555665672 /nfs/dbraw/zinc/66/56/72/555665672.db2.gz IZSVUEYGMDFRPY-GOSISDBHSA-N 0 0 431.286 3.786 50 0 IHAARN COc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001175690 555669435 /nfs/dbraw/zinc/66/94/35/555669435.db2.gz IRADWQNDIJFNCK-UHFFFAOYSA-N 0 0 438.549 3.511 50 0 IHAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)nc2c3cccnc3sc2c1=O ZINC000046153616 555672203 /nfs/dbraw/zinc/67/22/03/555672203.db2.gz SSXGRIZFDFOILT-UHFFFAOYSA-N 0 0 428.901 3.924 50 0 IHAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000001182403 555672502 /nfs/dbraw/zinc/67/25/02/555672502.db2.gz OFMYEUADOYNAGI-SFHVURJKSA-N 0 0 433.936 3.868 50 0 IHAARN CSc1nnc2c(n1)O[C@@H](c1ccc(I)o1)Nc1ccccc1-2 ZINC000001199598 555677861 /nfs/dbraw/zinc/67/78/61/555677861.db2.gz YFRNFCNXGDSRFI-ZDUSSCGKSA-N 0 0 438.250 3.961 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001204627 555679986 /nfs/dbraw/zinc/67/99/86/555679986.db2.gz NQBJFCRCGSYPRI-UHFFFAOYSA-N 0 0 438.505 3.941 50 0 IHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1OC ZINC000001215856 555683969 /nfs/dbraw/zinc/68/39/69/555683969.db2.gz MAISDXXPGFINCW-HXUWFJFHSA-N 0 0 438.505 3.664 50 0 IHAARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000001232151 555686966 /nfs/dbraw/zinc/68/69/66/555686966.db2.gz DDKNMFRRSRWRSY-HNNXBMFYSA-N 0 0 432.760 3.734 50 0 IHAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)C(=O)NC3CCCC3)c2)c1 ZINC000010191097 555691851 /nfs/dbraw/zinc/69/18/51/555691851.db2.gz MRIOFGCQAXODQT-QGZVFWFLSA-N 0 0 444.553 3.708 50 0 IHAARN COc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(F)cc3)n2)cc1OC ZINC000010537136 555693669 /nfs/dbraw/zinc/69/36/69/555693669.db2.gz PSQHPUKGTLLENH-UHFFFAOYSA-N 0 0 449.504 3.740 50 0 IHAARN O=c1n(Cc2cccc(F)c2)n(Cc2cccc(F)c2)c(=O)n1-c1cccc(Cl)c1 ZINC000001423963 555695685 /nfs/dbraw/zinc/69/56/85/555695685.db2.gz GBOFWFOVZUEJSN-UHFFFAOYSA-N 0 0 427.838 3.829 50 0 IHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001458425 555700258 /nfs/dbraw/zinc/70/02/58/555700258.db2.gz LEMUJQKQJCOLGK-NRFANRHFSA-N 0 0 444.572 3.708 50 0 IHAARN CCCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 ZINC000001903580 555723599 /nfs/dbraw/zinc/72/35/99/555723599.db2.gz SRNDCYVUIKOJDO-SFHVURJKSA-N 0 0 434.521 3.727 50 0 IHAARN O=S(=O)(c1c[nH]c2ncccc12)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889620 555726033 /nfs/dbraw/zinc/72/60/33/555726033.db2.gz UFUYSFJSJBGSGX-KRWDZBQOSA-N 0 0 435.509 3.571 50 0 IHAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I ZINC000002070849 555734892 /nfs/dbraw/zinc/73/48/92/555734892.db2.gz XNZSWJNNEQKBEI-HNNXBMFYSA-N 0 0 428.270 3.605 50 0 IHAARN NC(=O)c1cnc(N2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c(Cl)c1 ZINC000071890507 555745932 /nfs/dbraw/zinc/74/59/32/555745932.db2.gz BMFXYSMXQNXPFM-HNNXBMFYSA-N 0 0 427.867 3.797 50 0 IHAARN COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000002128684 555746283 /nfs/dbraw/zinc/74/62/83/555746283.db2.gz ITYDSLDUEUPCJX-UHFFFAOYSA-N 0 0 432.933 3.984 50 0 IHAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 ZINC000002207824 555758050 /nfs/dbraw/zinc/75/80/50/555758050.db2.gz UNDPTXYXPCWRMM-UHFFFAOYSA-N 0 0 443.488 3.876 50 0 IHAARN COc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(C)cc2)c1 ZINC000002229750 555760289 /nfs/dbraw/zinc/76/02/89/555760289.db2.gz QVDCJBZCJYKJGI-UHFFFAOYSA-N 0 0 432.509 3.772 50 0 IHAARN CN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S ZINC000002239130 555761247 /nfs/dbraw/zinc/76/12/47/555761247.db2.gz PWRUUTYEWWIMCO-KRWDZBQOSA-N 0 0 436.364 3.992 50 0 IHAARN O=C(CNC(=O)c1ccc(Br)o1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000002268577 555764070 /nfs/dbraw/zinc/76/40/70/555764070.db2.gz VOHZKNYJYUZENN-HXUWFJFHSA-N 0 0 442.265 3.939 50 0 IHAARN COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(C)cc2)cc1 ZINC000002340248 555770149 /nfs/dbraw/zinc/77/01/49/555770149.db2.gz ZDFFEWHBYQRPMF-UHFFFAOYSA-N 0 0 432.509 3.772 50 0 IHAARN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccncc1 ZINC000002355917 555771502 /nfs/dbraw/zinc/77/15/02/555771502.db2.gz VFHQBBOOGRORQV-UHFFFAOYSA-N 0 0 440.273 3.649 50 0 IHAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002374349 555773679 /nfs/dbraw/zinc/77/36/79/555773679.db2.gz ZWVQZNRXYWNFSL-CQSZACIVSA-N 0 0 431.496 3.861 50 0 IHAARN COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 ZINC000002389045 555774897 /nfs/dbraw/zinc/77/48/97/555774897.db2.gz DSJWWYGLZBFEEN-CQSZACIVSA-N 0 0 442.796 3.849 50 0 IHAARN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002473034 555783143 /nfs/dbraw/zinc/78/31/43/555783143.db2.gz OAVZHJPJKVQRTE-QGHHPUGFSA-N 0 0 439.306 3.785 50 0 IHAARN O=C(C[C@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1cc2ccccc2oc1=O ZINC000002463857 555783212 /nfs/dbraw/zinc/78/32/12/555783212.db2.gz CMNAYBYWSOAUEH-SANMLTNESA-N 0 0 425.440 3.800 50 0 IHAARN O=C(Nc1cccc(F)c1)c1coc(CN2CCN(Cc3ccc(F)c(F)c3)CC2)n1 ZINC000034678074 555796513 /nfs/dbraw/zinc/79/65/13/555796513.db2.gz RCVOPXLVVDBOOP-UHFFFAOYSA-N 0 0 430.430 3.662 50 0 IHAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccccc4F)CC3)n2)cc1F ZINC000034678271 555797213 /nfs/dbraw/zinc/79/72/13/555797213.db2.gz CSIIDHIEEDNRKO-UHFFFAOYSA-N 0 0 426.467 3.831 50 0 IHAARN Cc1ccccc1Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(F)c1 ZINC000034693526 555808060 /nfs/dbraw/zinc/80/80/60/555808060.db2.gz QQFZKDBSRLIPFQ-UHFFFAOYSA-N 0 0 440.478 3.893 50 0 IHAARN CCn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccccc2OC)c1=O ZINC000034694822 555809712 /nfs/dbraw/zinc/80/97/12/555809712.db2.gz RMRXLYFAYTUWCR-UHFFFAOYSA-N 0 0 445.306 3.733 50 0 IHAARN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000034680592 555813461 /nfs/dbraw/zinc/81/34/61/555813461.db2.gz NRADXUYSXSWQAK-UHFFFAOYSA-N 0 0 434.927 3.879 50 0 IHAARN O=C(c1ccoc1)N1CCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC1 ZINC000034706545 555821614 /nfs/dbraw/zinc/82/16/14/555821614.db2.gz PUANFJRPBMGGRN-UHFFFAOYSA-N 0 0 430.493 3.561 50 0 IHAARN O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000002816780 555828755 /nfs/dbraw/zinc/82/87/55/555828755.db2.gz PNPRKQFGNGQFGJ-UHFFFAOYSA-N 0 0 434.366 3.976 50 0 IHAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000002816894 555828773 /nfs/dbraw/zinc/82/87/73/555828773.db2.gz ZGNYRHYWWZYEPE-YBEGLDIGSA-N 0 0 438.914 3.645 50 0 IHAARN Cc1nnc2c3ccc(Cl)cc3nc(N3CCCN(C(=O)c4ccc(C)cc4)CC3)n12 ZINC000034700083 555837285 /nfs/dbraw/zinc/83/72/85/555837285.db2.gz QOBWZEQMALHXCL-UHFFFAOYSA-N 0 0 434.931 3.900 50 0 IHAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002845675 555837324 /nfs/dbraw/zinc/83/73/24/555837324.db2.gz OADUNMJQSVXQRF-UHFFFAOYSA-N 0 0 437.342 3.968 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000002852562 555840205 /nfs/dbraw/zinc/84/02/05/555840205.db2.gz OOUKUYXMCYECCK-UHFFFAOYSA-N 0 0 438.505 3.692 50 0 IHAARN O=C1c2ccccc2C(=O)N1Cc1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000002855478 555841347 /nfs/dbraw/zinc/84/13/47/555841347.db2.gz XJFLDBXGJIUXRA-UHFFFAOYSA-N 0 0 426.881 3.937 50 0 IHAARN O=C(c1ccco1)N1CCN(C(=S)Nc2ccc(Br)cc2Cl)CC1 ZINC000002856020 555841609 /nfs/dbraw/zinc/84/16/09/555841609.db2.gz XHRBQUONNJYODR-UHFFFAOYSA-N 0 0 428.739 3.850 50 0 IHAARN Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n23)cc1 ZINC000002859687 555843857 /nfs/dbraw/zinc/84/38/57/555843857.db2.gz OYYHSCFGVSMDJW-UHFFFAOYSA-N 0 0 438.534 3.903 50 0 IHAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000002874403 555851347 /nfs/dbraw/zinc/85/13/47/555851347.db2.gz PEEROKBAFPSORK-MSOLQXFVSA-N 0 0 445.585 3.625 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(SC)c3)C2)cc1C ZINC000002881848 555855982 /nfs/dbraw/zinc/85/59/82/555855982.db2.gz NERKJZSHQJZEOA-INIZCTEOSA-N 0 0 434.583 3.765 50 0 IHAARN CC(C)Oc1ccc(Cc2nnc(SCC(N)=O)n2Cc2ccccc2)cc1Cl ZINC000002883065 555856562 /nfs/dbraw/zinc/85/65/62/555856562.db2.gz XXQPXQKRPAFAMR-UHFFFAOYSA-N 0 0 430.961 3.935 50 0 IHAARN Cc1ccc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000002883149 555856603 /nfs/dbraw/zinc/85/66/03/555856603.db2.gz IOLGOLFCDMSUEG-HXUWFJFHSA-N 0 0 428.598 3.939 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCCC(=O)Nc2ccccc2)n1C ZINC000002886316 555857993 /nfs/dbraw/zinc/85/79/93/555857993.db2.gz BNOSXXLSYUNFHO-CQSZACIVSA-N 0 0 427.505 3.566 50 0 IHAARN COCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002907557 555861561 /nfs/dbraw/zinc/86/15/61/555861561.db2.gz PTNANGOACPRZMY-UHFFFAOYSA-N 0 0 438.549 3.767 50 0 IHAARN CC[C@@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000002962617 555867915 /nfs/dbraw/zinc/86/79/15/555867915.db2.gz VWSZQOZCIIIWEG-CQSZACIVSA-N 0 0 425.348 3.559 50 0 IHAARN Cc1cccc(C)c1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000002978527 555870611 /nfs/dbraw/zinc/87/06/11/555870611.db2.gz ZTZBWHWMQJIWDW-UHFFFAOYSA-N 0 0 425.348 3.779 50 0 IHAARN Cc1c(NC(=O)OCCNC(=O)COc2cc(Cl)ccc2C)sc(=S)n1C ZINC000002998183 555876629 /nfs/dbraw/zinc/87/66/29/555876629.db2.gz CYIZPPRPVXNVMZ-UHFFFAOYSA-N 0 0 429.951 3.830 50 0 IHAARN O=C(NCCOc1ccccc1F)c1cccc(C(=O)NCCOc2ccccc2F)c1 ZINC000003100978 555886726 /nfs/dbraw/zinc/88/67/26/555886726.db2.gz DIZQXIVZXCGWPA-UHFFFAOYSA-N 0 0 440.446 3.582 50 0 IHAARN CN(C)C(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003130741 555890241 /nfs/dbraw/zinc/89/02/41/555890241.db2.gz JSKJDSKKHPNBJZ-SECBINFHSA-N 0 0 448.601 3.703 50 0 IHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1 ZINC000003185187 555895363 /nfs/dbraw/zinc/89/53/63/555895363.db2.gz FMGIOSGEVYOHJN-UHFFFAOYSA-N 0 0 429.325 3.575 50 0 IHAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O ZINC000034811257 555909071 /nfs/dbraw/zinc/90/90/71/555909071.db2.gz YSFSQZJVAXBXIC-UHFFFAOYSA-N 0 0 446.404 3.627 50 0 IHAARN Cc1cccc2c1NC1(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC1)NC2=O ZINC000034812130 555909794 /nfs/dbraw/zinc/90/97/94/555909794.db2.gz UKBSVGVTJSJUHC-UHFFFAOYSA-N 0 0 440.352 3.638 50 0 IHAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(SC)cc4)CC3)no2)cc1 ZINC000034904874 555919302 /nfs/dbraw/zinc/91/93/02/555919302.db2.gz QVTJOHJZHHSKHZ-UHFFFAOYSA-N 0 0 439.541 3.817 50 0 IHAARN O=C(NCCCNC(=O)c1cccc(F)c1)c1csc(COc2ccccc2F)n1 ZINC000034905913 555920009 /nfs/dbraw/zinc/92/00/09/555920009.db2.gz PMLCOVFCNMSPTI-UHFFFAOYSA-N 0 0 431.464 3.550 50 0 IHAARN CSc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000003366461 555927576 /nfs/dbraw/zinc/92/75/76/555927576.db2.gz SKIVBWAMWXPMFM-RGEXLXHISA-N 0 0 441.578 3.941 50 0 IHAARN CCOC(=O)CNC(=O)N(Cc1cc(-c2cccc(OC)c2)on1)Cc1ccc(F)cc1 ZINC000034922417 555932573 /nfs/dbraw/zinc/93/25/73/555932573.db2.gz FBPUSXWQBLJKDU-UHFFFAOYSA-N 0 0 441.459 3.764 50 0 IHAARN COc1ccc(O[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003653552 555944249 /nfs/dbraw/zinc/94/42/49/555944249.db2.gz KZJKNUIKFKVUTB-ZEQRLZLVSA-N 0 0 447.443 3.684 50 0 IHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000004738778 556009172 /nfs/dbraw/zinc/00/91/72/556009172.db2.gz OJFZJMLGISYQKS-FQEVSTJZSA-N 0 0 425.485 3.526 50 0 IHAARN COc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2c1 ZINC000004757478 556010038 /nfs/dbraw/zinc/01/00/38/556010038.db2.gz IUCIQXNZEVKJKJ-HNNXBMFYSA-N 0 0 425.510 3.566 50 0 IHAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OCC ZINC000006601849 556097728 /nfs/dbraw/zinc/09/77/28/556097728.db2.gz WJNUFBHTGWBBFA-UHFFFAOYSA-N 0 0 432.542 3.911 50 0 IHAARN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000006631515 556099249 /nfs/dbraw/zinc/09/92/49/556099249.db2.gz GWZUZPKJDJKHQP-HNNXBMFYSA-N 0 0 430.888 3.582 50 0 IHAARN COc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000010586794 556115479 /nfs/dbraw/zinc/11/54/79/556115479.db2.gz ISZLEUVCXIYYLM-UHFFFAOYSA-N 0 0 441.505 3.886 50 0 IHAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)cc1 ZINC000002719743 556131915 /nfs/dbraw/zinc/13/19/15/556131915.db2.gz QIMRTPBHSOOLGI-UHFFFAOYSA-N 0 0 439.562 3.929 50 0 IHAARN O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)Nc1ccccc1 ZINC000002733846 556135137 /nfs/dbraw/zinc/13/51/37/556135137.db2.gz GEYBJEUITZCSFV-UHFFFAOYSA-N 0 0 439.928 3.677 50 0 IHAARN COc1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC000002775698 556140406 /nfs/dbraw/zinc/14/04/06/556140406.db2.gz WWEJMBMDGGGUMZ-UHFFFAOYSA-N 0 0 445.342 3.829 50 0 IHAARN NC(=O)c1c2c(sc1NC(=O)c1cnn3c1nc(C1CC1)cc3C(F)F)CCCC2 ZINC000002778191 556141049 /nfs/dbraw/zinc/14/10/49/556141049.db2.gz JQJYYACKDXFMJQ-UHFFFAOYSA-N 0 0 431.468 3.836 50 0 IHAARN Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1Cl ZINC000002778881 556141292 /nfs/dbraw/zinc/14/12/92/556141292.db2.gz NOJMBVPVYJXRLM-JTQLQIEISA-N 0 0 433.965 3.518 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)N[C@@H](Cn3cccn3)C(C)(C)C)o2)c(C)c1Br ZINC000002780571 556141614 /nfs/dbraw/zinc/14/16/14/556141614.db2.gz GZEDBDHUGXLXFF-KRWDZBQOSA-N 0 0 448.365 3.945 50 0 IHAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000002973349 556152421 /nfs/dbraw/zinc/15/24/21/556152421.db2.gz DQIWSOVEYFDYJM-UHFFFAOYSA-N 0 0 445.972 3.885 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 ZINC000003008970 556155141 /nfs/dbraw/zinc/15/51/41/556155141.db2.gz NHSWJWQATPNNAH-UHFFFAOYSA-N 0 0 431.901 3.605 50 0 IHAARN NS(=O)(=O)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000008432777 556172031 /nfs/dbraw/zinc/17/20/31/556172031.db2.gz GCKFBNOIIDGVKA-UHFFFAOYSA-N 0 0 425.579 3.843 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(=O)OCC ZINC000008443704 556178415 /nfs/dbraw/zinc/17/84/15/556178415.db2.gz SGKIMLSEFZGLIW-UHFFFAOYSA-N 0 0 426.469 3.788 50 0 IHAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1cccnc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000008449604 556180759 /nfs/dbraw/zinc/18/07/59/556180759.db2.gz APYWSEPQFKBQQR-ISQHLFTMSA-N 0 0 445.316 3.980 50 0 IHAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000008599828 556190993 /nfs/dbraw/zinc/19/09/93/556190993.db2.gz KGQLDMVFEHYSJF-HXUWFJFHSA-N 0 0 443.459 3.782 50 0 IHAARN CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000008613969 556192260 /nfs/dbraw/zinc/19/22/60/556192260.db2.gz NJFHSAYIXSAFQX-UHFFFAOYSA-N 0 0 438.487 3.948 50 0 IHAARN CCOC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3N2C(=O)OCc2ccccc2)CC1 ZINC000008636560 556194419 /nfs/dbraw/zinc/19/44/19/556194419.db2.gz SPVOLDHMHVNGRC-JOCHJYFZSA-N 0 0 436.508 3.556 50 0 IHAARN O=C1COc2ccc(S(=O)(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)cc2N1 ZINC000008706625 556201083 /nfs/dbraw/zinc/20/10/83/556201083.db2.gz WMQXPEABVWPPRZ-UHFFFAOYSA-N 0 0 426.498 3.673 50 0 IHAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000008741207 556207049 /nfs/dbraw/zinc/20/70/49/556207049.db2.gz DHPWROOWSNOBHW-YCAMKHIRSA-N 0 0 435.483 3.715 50 0 IHAARN O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCC(=O)CC1 ZINC000008744965 556208815 /nfs/dbraw/zinc/20/88/15/556208815.db2.gz HNKHGWNFZXWXRH-UHFFFAOYSA-N 0 0 448.544 3.887 50 0 IHAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000008873543 556229912 /nfs/dbraw/zinc/22/99/12/556229912.db2.gz YDMRHDOXVOGOFL-NRFANRHFSA-N 0 0 426.563 3.526 50 0 IHAARN Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009030950 556241613 /nfs/dbraw/zinc/24/16/13/556241613.db2.gz OYIRHAHPLAHXFI-UHFFFAOYSA-N 0 0 436.871 3.903 50 0 IHAARN COc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000009058573 556243505 /nfs/dbraw/zinc/24/35/05/556243505.db2.gz WCLXRYKKAYWDDW-OAHLLOKOSA-N 0 0 434.315 3.896 50 0 IHAARN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)c1 ZINC000009094744 556246103 /nfs/dbraw/zinc/24/61/03/556246103.db2.gz UMAIYXULBMKKPL-UHFFFAOYSA-N 0 0 429.444 3.927 50 0 IHAARN Cn1c(CCNC(=O)C2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009123985 556248213 /nfs/dbraw/zinc/24/82/13/556248213.db2.gz QTFRGLVDXNULBZ-UHFFFAOYSA-N 0 0 434.540 3.830 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000009128800 556248545 /nfs/dbraw/zinc/24/85/45/556248545.db2.gz BALLBUFABSMGDX-RUZDIDTESA-N 0 0 433.435 3.604 50 0 IHAARN COc1cc(OC)cc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 ZINC000009199747 556257447 /nfs/dbraw/zinc/25/74/47/556257447.db2.gz SIMSTMFAZMKWLK-HNNXBMFYSA-N 0 0 438.509 3.637 50 0 IHAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009236696 556264111 /nfs/dbraw/zinc/26/41/11/556264111.db2.gz WWTMXZWPJKGCPG-ZWKOTPCHSA-N 0 0 429.933 3.955 50 0 IHAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 ZINC000009237657 556264461 /nfs/dbraw/zinc/26/44/61/556264461.db2.gz GSFIYJRYAKUIHT-CVEARBPZSA-N 0 0 448.321 3.886 50 0 IHAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1Cl ZINC000009238587 556264671 /nfs/dbraw/zinc/26/46/71/556264671.db2.gz CMCAZZGIYRUFJO-MSOLQXFVSA-N 0 0 445.932 3.655 50 0 IHAARN COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 ZINC000009238635 556265052 /nfs/dbraw/zinc/26/50/52/556265052.db2.gz BKCSINXPPDCJJA-MSOLQXFVSA-N 0 0 445.932 3.655 50 0 IHAARN CCOc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1O ZINC000009260545 556268291 /nfs/dbraw/zinc/26/82/91/556268291.db2.gz XGIWLNCYOHOOQR-OVCLIPMQSA-N 0 0 435.249 3.785 50 0 IHAARN COc1ccc(CNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000009305618 556276541 /nfs/dbraw/zinc/27/65/41/556276541.db2.gz LRXKHTAKPHODRO-UHFFFAOYSA-N 0 0 428.510 3.703 50 0 IHAARN COc1ccc(-c2cc3ccc(OCC(=O)NCc4ccncc4)cc3oc2=O)cc1OC ZINC000013691607 556281005 /nfs/dbraw/zinc/28/10/05/556281005.db2.gz YZWZXYGTSPGTQN-UHFFFAOYSA-N 0 0 446.459 3.567 50 0 IHAARN O=C1NC(=Cc2ccc(O)c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000009323335 556281419 /nfs/dbraw/zinc/28/14/19/556281419.db2.gz JLIFDZOKXYXOKA-NTUHNPAUSA-N 0 0 440.624 3.748 50 0 IHAARN COc1ccc(C(=O)C[C@]2(NC(C)=O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000009341118 556283417 /nfs/dbraw/zinc/28/34/17/556283417.db2.gz KLIMSIJWWXVTSR-SANMLTNESA-N 0 0 428.488 3.846 50 0 IHAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 ZINC000009410672 556288428 /nfs/dbraw/zinc/28/84/28/556288428.db2.gz TZBVTOJRWCGAKK-SJLPKXTDSA-N 0 0 448.449 3.569 50 0 IHAARN COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3cccnc3)c2N1 ZINC000009411094 556288835 /nfs/dbraw/zinc/28/88/35/556288835.db2.gz FDISIYUGWSPMCE-SJLPKXTDSA-N 0 0 431.418 3.877 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013720643 556289702 /nfs/dbraw/zinc/28/97/02/556289702.db2.gz MTNJPPXZLVWLOU-HNNXBMFYSA-N 0 0 443.916 3.754 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013720640 556289765 /nfs/dbraw/zinc/28/97/65/556289765.db2.gz MTNJPPXZLVWLOU-OAHLLOKOSA-N 0 0 443.916 3.754 50 0 IHAARN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000009426503 556290171 /nfs/dbraw/zinc/29/01/71/556290171.db2.gz GOIQPODCOCLKQX-QGZVFWFLSA-N 0 0 436.537 3.632 50 0 IHAARN COc1cc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC ZINC000013724315 556292195 /nfs/dbraw/zinc/29/21/95/556292195.db2.gz JNTUUGOMPOOCKI-UHFFFAOYSA-N 0 0 442.493 3.788 50 0 IHAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000013727306 556293885 /nfs/dbraw/zinc/29/38/85/556293885.db2.gz QROBQRGOGCQFFM-UHFFFAOYSA-N 0 0 439.449 3.546 50 0 IHAARN Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000013728153 556294191 /nfs/dbraw/zinc/29/41/91/556294191.db2.gz POJNUUABXRJKEI-UHFFFAOYSA-N 0 0 433.899 3.847 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cc2csc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000013730792 556295519 /nfs/dbraw/zinc/29/55/19/556295519.db2.gz VILBETNTLJRINU-UHFFFAOYSA-N 0 0 442.493 3.804 50 0 IHAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000013735600 556297426 /nfs/dbraw/zinc/29/74/26/556297426.db2.gz KMUKZFFGHXCVDS-GOSISDBHSA-N 0 0 435.524 3.995 50 0 IHAARN CCCCCn1c(-c2ccc(Cl)cc2Cl)cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000013758083 556301224 /nfs/dbraw/zinc/30/12/24/556301224.db2.gz CUHOTJSAMAMDPN-UHFFFAOYSA-N 0 0 434.327 3.850 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C ZINC000032741870 556303761 /nfs/dbraw/zinc/30/37/61/556303761.db2.gz WXFOCYLBVHBVPN-INIZCTEOSA-N 0 0 427.574 3.924 50 0 IHAARN O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000013770598 556305186 /nfs/dbraw/zinc/30/51/86/556305186.db2.gz BNYUVGKYJWFGBL-FQEVSTJZSA-N 0 0 443.441 3.860 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)cc1C ZINC000009831008 556312322 /nfs/dbraw/zinc/31/23/22/556312322.db2.gz UWPYVYCRTAFLCV-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000032747606 556316583 /nfs/dbraw/zinc/31/65/83/556316583.db2.gz UJNGCRHGNXFVMP-UHFFFAOYSA-N 0 0 443.503 3.943 50 0 IHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 ZINC000009933956 556317198 /nfs/dbraw/zinc/31/71/98/556317198.db2.gz LYNRTTQXBQVVOT-OAQYLSRUSA-N 0 0 433.464 3.963 50 0 IHAARN COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013858020 556321612 /nfs/dbraw/zinc/32/16/12/556321612.db2.gz WMJBUZKHJCXTNI-UHFFFAOYSA-N 0 0 434.583 3.909 50 0 IHAARN CC1CCN(C(=O)c2cc(I)ccc2NC(=O)c2cccnc2)CC1 ZINC000010037869 556323112 /nfs/dbraw/zinc/32/31/12/556323112.db2.gz KRFRBCORUSJVIH-UHFFFAOYSA-N 0 0 449.292 3.811 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032778079 556331203 /nfs/dbraw/zinc/33/12/03/556331203.db2.gz GICCRKIJCXXHMV-UHFFFAOYSA-N 0 0 434.584 3.944 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000032772827 556335469 /nfs/dbraw/zinc/33/54/69/556335469.db2.gz WVEXKPRXFSSYRA-AVYPCKFXSA-N 0 0 425.485 3.686 50 0 IHAARN COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000013942623 556340006 /nfs/dbraw/zinc/34/00/06/556340006.db2.gz GRZSMUOAWZPIBM-GRSHGNNSSA-N 0 0 442.493 3.696 50 0 IHAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1C ZINC000013942535 556340013 /nfs/dbraw/zinc/34/00/13/556340013.db2.gz LEGUKXCAHFSGIB-HNNXBMFYSA-N 0 0 436.493 3.656 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000013949219 556344117 /nfs/dbraw/zinc/34/41/17/556344117.db2.gz IAXIVAWACQTDAH-CALCHBBNSA-N 0 0 436.599 3.771 50 0 IHAARN COC(=O)[C@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000013955626 556344797 /nfs/dbraw/zinc/34/47/97/556344797.db2.gz UOXXBXZFBJUJPO-LADGPHEKSA-N 0 0 447.535 3.807 50 0 IHAARN Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@H](c1c(Br)cnn1C)NC3=O ZINC000013958205 556345604 /nfs/dbraw/zinc/34/56/04/556345604.db2.gz DHNOKZVGVOAOOT-LBPRGKRZSA-N 0 0 446.252 3.974 50 0 IHAARN O=C(Cn1c2ccccc2nc1SCCOc1ccc(Cl)cc1)N1CCOCC1 ZINC000011667506 556346429 /nfs/dbraw/zinc/34/64/29/556346429.db2.gz FOKFXFRBSLFQML-UHFFFAOYSA-N 0 0 431.945 3.720 50 0 IHAARN CCCC[C@H](CC(=O)OCC)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011760350 556349321 /nfs/dbraw/zinc/34/93/21/556349321.db2.gz HZDLYRJDXRNXET-HXUWFJFHSA-N 0 0 444.572 3.708 50 0 IHAARN O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCc1ccc(F)cc1 ZINC000014008814 556353823 /nfs/dbraw/zinc/35/38/23/556353823.db2.gz WNTIVQBENPGTEZ-UHFFFAOYSA-N 0 0 436.483 3.719 50 0 IHAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C(=O)NC4CC4)cc3c2C1 ZINC000014021348 556356731 /nfs/dbraw/zinc/35/67/31/556356731.db2.gz RPQOUCWFGULNFA-OAHLLOKOSA-N 0 0 445.519 3.980 50 0 IHAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)c1 ZINC000011817624 556360068 /nfs/dbraw/zinc/36/00/68/556360068.db2.gz OOZCNYRLQIFUKE-KRWDZBQOSA-N 0 0 434.533 3.962 50 0 IHAARN COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000014086379 556364799 /nfs/dbraw/zinc/36/47/99/556364799.db2.gz FPWYRHYITULJGF-UHFFFAOYSA-N 0 0 425.514 3.843 50 0 IHAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000011844071 556367135 /nfs/dbraw/zinc/36/71/35/556367135.db2.gz SQZDORODAIXDKK-FQEVSTJZSA-N 0 0 441.535 3.871 50 0 IHAARN COc1cc(CCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000014100986 556367865 /nfs/dbraw/zinc/36/78/65/556367865.db2.gz DPCVFNMNAORRQH-UHFFFAOYSA-N 0 0 449.569 3.755 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2N)cc1 ZINC000014125642 556373528 /nfs/dbraw/zinc/37/35/28/556373528.db2.gz NVYOIMWMZZCNCI-OAHLLOKOSA-N 0 0 437.569 3.516 50 0 IHAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000014129077 556374289 /nfs/dbraw/zinc/37/42/89/556374289.db2.gz XRSGIPVNERVCEC-UHFFFAOYSA-N 0 0 425.492 3.536 50 0 IHAARN O=C(Nc1cnn(-c2ccc(C(=O)N3CCOc4ccccc4C3)cc2)c1)c1cccnc1 ZINC000011911247 556375263 /nfs/dbraw/zinc/37/52/63/556375263.db2.gz VXTLTRXXOSHCFE-UHFFFAOYSA-N 0 0 439.475 3.554 50 0 IHAARN CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014155828 556377529 /nfs/dbraw/zinc/37/75/29/556377529.db2.gz SXHMIPFPMZVXIU-UHFFFAOYSA-N 0 0 428.485 3.809 50 0 IHAARN Cc1ccc(C2=NN(C(=O)Cn3cc(Br)ccc3=O)[C@@H](c3cccs3)C2)o1 ZINC000014142406 556377577 /nfs/dbraw/zinc/37/75/77/556377577.db2.gz ZEXBNOXIHCPEFF-OAHLLOKOSA-N 0 0 446.326 3.952 50 0 IHAARN Cc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014165720 556379350 /nfs/dbraw/zinc/37/93/50/556379350.db2.gz MXODLRCZUNBGBI-UHFFFAOYSA-N 0 0 426.513 3.688 50 0 IHAARN Cc1nc(CNC(=O)c2cc(COc3cccc4cccnc43)on2)nc2c1CCCC2 ZINC000011945268 556379926 /nfs/dbraw/zinc/37/99/26/556379926.db2.gz OVFCJEGFZUIXJB-UHFFFAOYSA-N 0 0 429.480 3.709 50 0 IHAARN c1ccc(-c2nc3c(c(N4CCN(Cc5ccc6c(c5)OCCO6)CC4)n2)CCC3)cc1 ZINC000011949860 556380233 /nfs/dbraw/zinc/38/02/33/556380233.db2.gz ROFDKJCRNJJGAQ-UHFFFAOYSA-N 0 0 428.536 3.726 50 0 IHAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCN3CCOCC3)cc12 ZINC000014171267 556381577 /nfs/dbraw/zinc/38/15/77/556381577.db2.gz CRRTWFHQKYFFJS-UHFFFAOYSA-N 0 0 432.977 3.560 50 0 IHAARN COc1cc(Br)c(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1OC ZINC000014181343 556382538 /nfs/dbraw/zinc/38/25/38/556382538.db2.gz URXVYEXAXXHSPD-UHFFFAOYSA-N 0 0 449.345 3.723 50 0 IHAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)o1 ZINC000014183940 556383765 /nfs/dbraw/zinc/38/37/65/556383765.db2.gz ULFWGRRFFPTWAZ-UHFFFAOYSA-N 0 0 445.368 3.954 50 0 IHAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 ZINC000014184776 556384753 /nfs/dbraw/zinc/38/47/53/556384753.db2.gz ZCZYVPOFCSORIU-UHFFFAOYSA-N 0 0 433.508 3.564 50 0 IHAARN COc1ccc(CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C2CC2)cc1 ZINC000014190328 556387672 /nfs/dbraw/zinc/38/76/72/556387672.db2.gz DOGUKURQMDVZPC-UHFFFAOYSA-N 0 0 448.610 3.665 50 0 IHAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014200815 556391424 /nfs/dbraw/zinc/39/14/24/556391424.db2.gz CMJXKCOBLDELLV-FQEVSTJZSA-N 0 0 426.476 3.846 50 0 IHAARN CCn1c(=S)n(CN2CCc3sccc3[C@H]2c2ccccc2)nc1N1CCOCC1 ZINC000014201259 556391650 /nfs/dbraw/zinc/39/16/50/556391650.db2.gz RPYFQFAEQNWEIZ-HXUWFJFHSA-N 0 0 441.626 3.937 50 0 IHAARN Fc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2CCN2CCOCC2)cc1 ZINC000014201372 556391675 /nfs/dbraw/zinc/39/16/75/556391675.db2.gz OZSVYCKWOSYDSQ-UHFFFAOYSA-N 0 0 439.516 3.850 50 0 IHAARN COc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)CCC[C@H]2N3)cc1 ZINC000032818820 556393723 /nfs/dbraw/zinc/39/37/23/556393723.db2.gz QJIHSAQIHXCLAB-ZPMCFJSWSA-N 0 0 434.496 3.724 50 0 IHAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 ZINC000012062096 556395161 /nfs/dbraw/zinc/39/51/61/556395161.db2.gz QADMEUCODMSIJP-LJQANCHMSA-N 0 0 446.551 3.824 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@@H](C)O1 ZINC000014227680 556395491 /nfs/dbraw/zinc/39/54/91/556395491.db2.gz LBOACQLDQCQJGL-IAGOWNOFSA-N 0 0 446.594 3.627 50 0 IHAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 ZINC000014228832 556396060 /nfs/dbraw/zinc/39/60/60/556396060.db2.gz RZNVTRBIOBNCOX-UHFFFAOYSA-N 0 0 430.551 3.788 50 0 IHAARN O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012073098 556396373 /nfs/dbraw/zinc/39/63/73/556396373.db2.gz ZTTZYQRUEXFSFK-UHFFFAOYSA-N 0 0 426.601 3.913 50 0 IHAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 ZINC000032810822 556397552 /nfs/dbraw/zinc/39/75/52/556397552.db2.gz DZCVXGGNTWYKIO-FZKQIMNGSA-N 0 0 425.341 3.631 50 0 IHAARN CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1Cl ZINC000014232110 556398173 /nfs/dbraw/zinc/39/81/73/556398173.db2.gz RQLGZAGQOOJGLD-UHFFFAOYSA-N 0 0 433.711 3.537 50 0 IHAARN COC[C@@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccccn1)Sc1ccccc1-2 ZINC000012079517 556398251 /nfs/dbraw/zinc/39/82/51/556398251.db2.gz MEYHZHZJZHLGBH-IVZQSRNASA-N 0 0 435.549 3.695 50 0 IHAARN COC[C@H](C)NC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccccn1)Sc1ccccc1-2 ZINC000012079518 556398287 /nfs/dbraw/zinc/39/82/87/556398287.db2.gz MEYHZHZJZHLGBH-OYHNWAKOSA-N 0 0 435.549 3.695 50 0 IHAARN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)oc21 ZINC000032814208 556399444 /nfs/dbraw/zinc/39/94/44/556399444.db2.gz VRYCBSXSINBDTH-OAHLLOKOSA-N 0 0 428.510 3.998 50 0 IHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@H](C)O1 ZINC000014240865 556401274 /nfs/dbraw/zinc/40/12/74/556401274.db2.gz CZUZQERKCQBADL-CALCHBBNSA-N 0 0 446.594 3.627 50 0 IHAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000014240924 556401446 /nfs/dbraw/zinc/40/14/46/556401446.db2.gz XEBVWEJWOUGTIK-UHFFFAOYSA-N 0 0 445.567 3.674 50 0 IHAARN Cc1sc2ncnc(N3CCC(C(=O)O[C@H](C)C(=O)N4CCC(C)CC4)CC3)c2c1C ZINC000014247813 556407502 /nfs/dbraw/zinc/40/75/02/556407502.db2.gz SBWSUIMLOOSTBC-MRXNPFEDSA-N 0 0 444.601 3.715 50 0 IHAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@H](C(=O)Nc3ccccc3)C1)C2=O ZINC000014254039 556410076 /nfs/dbraw/zinc/41/00/76/556410076.db2.gz LYMFEOTYEZFKAH-ONSGGECDSA-N 0 0 440.588 3.822 50 0 IHAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)C2)cc1 ZINC000032824620 556410126 /nfs/dbraw/zinc/41/01/26/556410126.db2.gz KNVGKLHWFSTEAE-HXUWFJFHSA-N 0 0 446.551 3.521 50 0 IHAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 ZINC000014254872 556410397 /nfs/dbraw/zinc/41/03/97/556410397.db2.gz GZDIMXNLKIUSCQ-GOSISDBHSA-N 0 0 439.364 3.731 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000032652428 556413487 /nfs/dbraw/zinc/41/34/87/556413487.db2.gz UUACVICJUIDUTL-UHFFFAOYSA-N 0 0 437.403 3.881 50 0 IHAARN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc(O)cc1 ZINC000032655262 556413975 /nfs/dbraw/zinc/41/39/75/556413975.db2.gz GBAXZZYHEOPHEP-GOSISDBHSA-N 0 0 435.505 3.772 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000014361439 556414736 /nfs/dbraw/zinc/41/47/36/556414736.db2.gz WSCFZZYDZKCTST-UHFFFAOYSA-N 0 0 436.599 3.977 50 0 IHAARN O=C(CSCc1ccc(Cl)s1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000032674425 556415346 /nfs/dbraw/zinc/41/53/46/556415346.db2.gz IEZNAXUHMROOTF-UHFFFAOYSA-N 0 0 444.003 3.744 50 0 IHAARN O=C(Nc1cc(Cl)ccc1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195547 556415977 /nfs/dbraw/zinc/41/59/77/556415977.db2.gz FQYKDPLXKLZQNZ-HNNXBMFYSA-N 0 0 441.890 3.770 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000032836926 556418579 /nfs/dbraw/zinc/41/85/79/556418579.db2.gz GNRKLMQIDLIHIX-UHFFFAOYSA-N 0 0 442.943 3.986 50 0 IHAARN O=C(CCCOc1ccc(F)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012972217 556419132 /nfs/dbraw/zinc/41/91/32/556419132.db2.gz WJCRKRSGQANSBP-UHFFFAOYSA-N 0 0 427.472 3.877 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)s1 ZINC000012973183 556419701 /nfs/dbraw/zinc/41/97/01/556419701.db2.gz ULQBHKBYYPOUKH-UHFFFAOYSA-N 0 0 442.562 3.996 50 0 IHAARN C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Br)cc1 ZINC000012980071 556423888 /nfs/dbraw/zinc/42/38/88/556423888.db2.gz XTPKEOOZHFKXIE-ZDUSSCGKSA-N 0 0 445.338 3.988 50 0 IHAARN Cc1ccc(CN2C[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2=O)cc1 ZINC000012979940 556423895 /nfs/dbraw/zinc/42/38/95/556423895.db2.gz SFZMEKWEJBFHOW-MRXNPFEDSA-N 0 0 448.350 3.747 50 0 IHAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)OC)cnc2n1C[C@@H]1CCCO1 ZINC000014541542 556425809 /nfs/dbraw/zinc/42/58/09/556425809.db2.gz FPKYYQSNHKMHRU-PBHICJAKSA-N 0 0 446.548 3.576 50 0 IHAARN CCC(=O)Nc1ccc2nnc(-c3ccc(C(=O)NCc4cc(F)ccc4F)cc3)n2c1 ZINC000065209837 556426799 /nfs/dbraw/zinc/42/67/99/556426799.db2.gz BLTYDFKCYCLWAU-UHFFFAOYSA-N 0 0 435.434 3.953 50 0 IHAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC000012987857 556427800 /nfs/dbraw/zinc/42/78/00/556427800.db2.gz FUEFPIFLZQTTMC-UHFFFAOYSA-N 0 0 443.544 3.719 50 0 IHAARN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032843279 556428360 /nfs/dbraw/zinc/42/83/60/556428360.db2.gz XMSNOZBJEWQKIQ-YVWKXTFCSA-N 0 0 444.626 3.728 50 0 IHAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1 ZINC000012993053 556429245 /nfs/dbraw/zinc/42/92/45/556429245.db2.gz YDRSMTOMIOMCQB-UHFFFAOYSA-N 0 0 437.546 3.656 50 0 IHAARN C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O ZINC000012993568 556429357 /nfs/dbraw/zinc/42/93/57/556429357.db2.gz ZLCHLAISLNJNQV-LBPRGKRZSA-N 0 0 427.353 3.976 50 0 IHAARN COC[C@H]1Cc2cc3c(c(OC)c2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1COC)OCO3 ZINC000014614015 556429912 /nfs/dbraw/zinc/42/99/12/556429912.db2.gz LHQDZANQXMRHIV-LZJOCLMNSA-N 0 0 430.497 3.654 50 0 biogenic,in-vitro IHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000012995841 556431166 /nfs/dbraw/zinc/43/11/66/556431166.db2.gz JWDQLPBKLDBRSO-MRXNPFEDSA-N 0 0 438.336 3.860 50 0 IHAARN COC(=O)c1ccc(C)c(NC(=O)COc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000012996738 556431330 /nfs/dbraw/zinc/43/13/30/556431330.db2.gz AURJKZCCCZQPQA-UHFFFAOYSA-N 0 0 434.496 3.784 50 0 IHAARN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000012999383 556432616 /nfs/dbraw/zinc/43/26/16/556432616.db2.gz BKLSUCPHKHKHNN-QZTJIDSGSA-N 0 0 448.610 3.914 50 0 IHAARN CCCCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(F)c2)n1 ZINC000027813007 556433264 /nfs/dbraw/zinc/43/32/64/556433264.db2.gz KOYGEJLKFUWXNN-CQSZACIVSA-N 0 0 432.525 3.822 50 0 IHAARN Cc1csc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000013005757 556434820 /nfs/dbraw/zinc/43/48/20/556434820.db2.gz RDDROXGIFIUAID-AWEZNQCLSA-N 0 0 425.601 3.745 50 0 IHAARN COC(=O)c1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000014708318 556435116 /nfs/dbraw/zinc/43/51/16/556435116.db2.gz VUGQLDRYBLJEPS-UHFFFAOYSA-N 0 0 443.452 3.657 50 0 IHAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000027942757 556435872 /nfs/dbraw/zinc/43/58/72/556435872.db2.gz PLEZMKBCQJVJRO-AWEZNQCLSA-N 0 0 427.975 3.733 50 0 IHAARN COc1ccc([C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)c2c[nH]c3ccccc32)cc1 ZINC000027945616 556435968 /nfs/dbraw/zinc/43/59/68/556435968.db2.gz FYEXMEYFHAOOFT-QGZVFWFLSA-N 0 0 444.944 3.674 50 0 IHAARN O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000027984932 556438780 /nfs/dbraw/zinc/43/87/80/556438780.db2.gz SXAGDUDQGKHEKV-UHFFFAOYSA-N 0 0 436.493 3.679 50 0 IHAARN O=C(c1cncs1)N1CCc2c(cc(-c3ccccc3F)c(=O)n2Cc2ccncc2)C1 ZINC000014741008 556438854 /nfs/dbraw/zinc/43/88/54/556438854.db2.gz PYKRFMKHESFCAT-UHFFFAOYSA-N 0 0 446.507 3.753 50 0 IHAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H](C)O1 ZINC000027991255 556440006 /nfs/dbraw/zinc/44/00/06/556440006.db2.gz TVIRWQWGUJCZCJ-HDICACEKSA-N 0 0 444.535 3.863 50 0 IHAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000013028184 556441240 /nfs/dbraw/zinc/44/12/40/556441240.db2.gz UJOMOOOYYCIXAS-UHFFFAOYSA-N 0 0 442.512 3.932 50 0 IHAARN O=C(CSc1ccncc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000027999998 556441334 /nfs/dbraw/zinc/44/13/34/556441334.db2.gz PWSZBKFORDYASM-UHFFFAOYSA-N 0 0 431.561 3.677 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 ZINC000028107567 556444029 /nfs/dbraw/zinc/44/40/29/556444029.db2.gz ACTDXXBDFGMSGN-UHFFFAOYSA-N 0 0 425.514 3.551 50 0 IHAARN C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CCCC1 ZINC000014753584 556444486 /nfs/dbraw/zinc/44/44/86/556444486.db2.gz UCTUZDRXYNTOJG-MRXNPFEDSA-N 0 0 428.554 3.856 50 0 IHAARN O=C(NCc1ccccc1Cn1ccnc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000032859997 556446491 /nfs/dbraw/zinc/44/64/91/556446491.db2.gz OLWFJXYDGPBBLQ-UHFFFAOYSA-N 0 0 435.487 3.561 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)n(-c2ccc(C)cc2)n1 ZINC000013040921 556446931 /nfs/dbraw/zinc/44/69/31/556446931.db2.gz IXKBAJHGQPIOJA-UHFFFAOYSA-N 0 0 440.554 3.959 50 0 IHAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1nnc(C2CC2)s1 ZINC000013041460 556447588 /nfs/dbraw/zinc/44/75/88/556447588.db2.gz ZFXIDYVGFBNFSZ-UHFFFAOYSA-N 0 0 434.587 3.552 50 0 IHAARN CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccccc3Cl)o2)n1 ZINC000028287726 556447978 /nfs/dbraw/zinc/44/79/78/556447978.db2.gz XWNQGXBMPCGSJV-UHFFFAOYSA-N 0 0 443.710 3.793 50 0 IHAARN COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)N(C)C ZINC000028288230 556448174 /nfs/dbraw/zinc/44/81/74/556448174.db2.gz KIARAHVMZVSZIX-INIZCTEOSA-N 0 0 445.313 3.597 50 0 IHAARN COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028290619 556449818 /nfs/dbraw/zinc/44/98/18/556449818.db2.gz BLKGCIIHAWPROQ-OAQYLSRUSA-N 0 0 426.557 3.561 50 0 IHAARN COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1 ZINC000013059750 556450395 /nfs/dbraw/zinc/45/03/95/556450395.db2.gz NBXQZIQUHQYXJS-IYBDPMFKSA-N 0 0 445.537 3.784 50 0 IHAARN O=C(COc1cccc2nsnc21)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000028293259 556451003 /nfs/dbraw/zinc/45/10/03/556451003.db2.gz HZXBNBQJNRGJCW-UHFFFAOYSA-N 0 0 433.515 3.992 50 0 IHAARN Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000014870098 556452233 /nfs/dbraw/zinc/45/22/33/556452233.db2.gz IYTJVZYQKLXTMQ-UHFFFAOYSA-N 0 0 437.370 3.661 50 0 IHAARN Cc1nc(CN(C)C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)cs1 ZINC000014878914 556452339 /nfs/dbraw/zinc/45/23/39/556452339.db2.gz LVELDJXFWFWFSY-HSZRJFAPSA-N 0 0 443.544 3.579 50 0 IHAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000014881478 556453763 /nfs/dbraw/zinc/45/37/63/556453763.db2.gz OHGMMTKYISHJSI-RDPSFJRHSA-N 0 0 426.944 3.774 50 0 IHAARN C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 ZINC000014881759 556453911 /nfs/dbraw/zinc/45/39/11/556453911.db2.gz NHJHKLDBEFKSIR-GOSISDBHSA-N 0 0 437.975 3.800 50 0 IHAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000013095334 556456285 /nfs/dbraw/zinc/45/62/85/556456285.db2.gz YQBUSTJGURRCHS-PMACEKPBSA-N 0 0 444.572 3.788 50 0 IHAARN Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000032869626 556457879 /nfs/dbraw/zinc/45/78/79/556457879.db2.gz IHSXHQWJOOSVHX-UHFFFAOYSA-N 0 0 427.322 3.899 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)c1cccs1)CC2 ZINC000072277288 556458125 /nfs/dbraw/zinc/45/81/25/556458125.db2.gz XETZNWXOCGNDMB-OAQYLSRUSA-N 0 0 442.562 3.731 50 0 IHAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000014932431 556459054 /nfs/dbraw/zinc/45/90/54/556459054.db2.gz WRHVAYBLEKLFBC-UHFFFAOYSA-N 0 0 434.521 3.929 50 0 IHAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000028692061 556459149 /nfs/dbraw/zinc/45/91/49/556459149.db2.gz GNTGUKAUZDKTRR-UHFFFAOYSA-N 0 0 436.581 3.979 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)C[C@H](C)O1 ZINC000013098637 556459167 /nfs/dbraw/zinc/45/91/67/556459167.db2.gz DNBDNDGABQLVKI-GASCZTMLSA-N 0 0 444.507 3.940 50 0 IHAARN Cc1cc(=O)n2nc(CN(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)sc2n1 ZINC000028728483 556459904 /nfs/dbraw/zinc/45/99/04/556459904.db2.gz BZKVEAZMJAMLGW-UHFFFAOYSA-N 0 0 442.548 3.944 50 0 IHAARN Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c(C)n1-c1nccs1 ZINC000013100896 556460450 /nfs/dbraw/zinc/46/04/50/556460450.db2.gz NRRBWROFHNZOMD-UHFFFAOYSA-N 0 0 447.516 3.860 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000013109942 556463665 /nfs/dbraw/zinc/46/36/65/556463665.db2.gz AXWCRMXEOLJAND-UHFFFAOYSA-N 0 0 439.562 3.680 50 0 IHAARN Cc1cccc(Cc2nnc(CCC(=O)N3CCC([C@H](O)c4cccs4)CC3)o2)c1 ZINC000014963593 556465120 /nfs/dbraw/zinc/46/51/20/556465120.db2.gz XKRFHZHVWZQAOV-QHCPKHFHSA-N 0 0 425.554 3.935 50 0 IHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000029083679 556466975 /nfs/dbraw/zinc/46/69/75/556466975.db2.gz VILWYPWLAVTYPT-SFHVURJKSA-N 0 0 435.590 3.510 50 0 IHAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000013117709 556470723 /nfs/dbraw/zinc/47/07/23/556470723.db2.gz URTYTSAPEOMJCQ-KRWDZBQOSA-N 0 0 444.553 3.514 50 0 IHAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000013121299 556473847 /nfs/dbraw/zinc/47/38/47/556473847.db2.gz ZTBYAQSMYLYHMT-UHFFFAOYSA-N 0 0 426.476 3.678 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nc2n(n1)[C@H](C(F)F)C[C@H](C)N2 ZINC000013124661 556475043 /nfs/dbraw/zinc/47/50/43/556475043.db2.gz NVXPFZDIDLVPDC-LRDDRELGSA-N 0 0 429.475 3.711 50 0 IHAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nc2n(n1)[C@H](C(F)F)C[C@@H](C)N2 ZINC000013124660 556475113 /nfs/dbraw/zinc/47/51/13/556475113.db2.gz NVXPFZDIDLVPDC-WBMJQRKESA-N 0 0 429.475 3.711 50 0 IHAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(OC)cc1)N2 ZINC000013127243 556476074 /nfs/dbraw/zinc/47/60/74/556476074.db2.gz IVTWYJRMCCRDBE-QZTJIDSGSA-N 0 0 427.892 3.671 50 0 IHAARN CC[C@H](COC)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000014993710 556476449 /nfs/dbraw/zinc/47/64/49/556476449.db2.gz PUITVPYFABXGKL-LJQANCHMSA-N 0 0 431.540 3.850 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000029481820 556476601 /nfs/dbraw/zinc/47/66/01/556476601.db2.gz DESLBESSUYCITQ-OAHLLOKOSA-N 0 0 443.594 3.836 50 0 IHAARN CCOC(=O)C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)c1cccc(Br)c1 ZINC000072289695 556484532 /nfs/dbraw/zinc/48/45/32/556484532.db2.gz YMGOWFVOAGEOTC-MRXNPFEDSA-N 0 0 435.274 3.791 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1C ZINC000013137934 556484760 /nfs/dbraw/zinc/48/47/60/556484760.db2.gz MOHYGUXLBXFFKO-UHFFFAOYSA-N 0 0 443.396 3.996 50 0 IHAARN CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1cccc(C)c1)CC(C)(C)OC3 ZINC000013138552 556485388 /nfs/dbraw/zinc/48/53/88/556485388.db2.gz NNCCEFCGRPXGCY-UHFFFAOYSA-N 0 0 438.553 3.702 50 0 IHAARN COc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl ZINC000029895842 556485874 /nfs/dbraw/zinc/48/58/74/556485874.db2.gz VEAYJGHPBUJHFO-LAUBAEHRSA-N 0 0 444.915 3.830 50 0 IHAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000029900418 556486228 /nfs/dbraw/zinc/48/62/28/556486228.db2.gz UBJQQCOXLZRTHA-IBGZPJMESA-N 0 0 429.476 3.572 50 0 IHAARN O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000029962674 556487635 /nfs/dbraw/zinc/48/76/35/556487635.db2.gz RCIMJMYXNVPFON-NRFANRHFSA-N 0 0 447.608 3.766 50 0 IHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013145508 556487815 /nfs/dbraw/zinc/48/78/15/556487815.db2.gz URFRVXZQFJAWOL-AWEZNQCLSA-N 0 0 441.871 3.806 50 0 IHAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 ZINC000029983393 556487908 /nfs/dbraw/zinc/48/79/08/556487908.db2.gz DHESFAPRIWOADX-OAHLLOKOSA-N 0 0 437.525 3.777 50 0 IHAARN Cn1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1=O ZINC000030180691 556491400 /nfs/dbraw/zinc/49/14/00/556491400.db2.gz JQTGRJGQDFZEGD-UHFFFAOYSA-N 0 0 427.957 3.725 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](CCSc2nnnn2C2CC2)c2ccccc2)cc1 ZINC000030341907 556493034 /nfs/dbraw/zinc/49/30/34/556493034.db2.gz BZYWCTVKGIFUOY-LJQANCHMSA-N 0 0 429.571 3.518 50 0 IHAARN O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)N1CCCC[C@H]1c1cccnc1 ZINC000015068794 556494582 /nfs/dbraw/zinc/49/45/82/556494582.db2.gz QZLZUWQNVPPIPT-NBGIEHNGSA-N 0 0 435.524 3.536 50 0 IHAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 ZINC000015070977 556495882 /nfs/dbraw/zinc/49/58/82/556495882.db2.gz LYKGGVPNJTUEKU-QFIPXVFZSA-N 0 0 441.539 3.659 50 0 IHAARN CCc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(OC)cc2C)C1 ZINC000015070988 556495897 /nfs/dbraw/zinc/49/58/97/556495897.db2.gz GJAJATFKUYJFMV-IBGZPJMESA-N 0 0 426.561 3.810 50 0 IHAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000030549815 556497623 /nfs/dbraw/zinc/49/76/23/556497623.db2.gz AVLQTWFXZNKLMD-ZDUSSCGKSA-N 0 0 440.537 3.573 50 0 IHAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Nc4ncccn4)c3)n2)o1 ZINC000030578257 556498434 /nfs/dbraw/zinc/49/84/34/556498434.db2.gz XYQKSIWDHOXVIG-UHFFFAOYSA-N 0 0 434.481 3.825 50 0 IHAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000015078495 556499958 /nfs/dbraw/zinc/49/99/58/556499958.db2.gz XLVITAXRTXXTFP-VWLOTQADSA-N 0 0 437.515 3.821 50 0 IHAARN Cc1cc(=O)c(C(=O)N2CCn3c4ccccc4nc32)nn1-c1cccc(C(F)(F)F)c1 ZINC000030661392 556501062 /nfs/dbraw/zinc/50/10/62/556501062.db2.gz GQKHEHOYHKIOJO-UHFFFAOYSA-N 0 0 439.397 3.570 50 0 IHAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000030704724 556502382 /nfs/dbraw/zinc/50/23/82/556502382.db2.gz GZBZVQFGZGWRTM-HXUWFJFHSA-N 0 0 441.478 3.742 50 0 IHAARN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1)c1ccccc1F ZINC000032711096 556502808 /nfs/dbraw/zinc/50/28/08/556502808.db2.gz YDCDCPBCQFGBOD-UHFFFAOYSA-N 0 0 426.879 3.904 50 0 IHAARN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 ZINC000013402852 556504478 /nfs/dbraw/zinc/50/44/78/556504478.db2.gz HERSRDXKQWQEMF-UHFFFAOYSA-N 0 0 426.513 3.821 50 0 IHAARN CC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000013468478 556507607 /nfs/dbraw/zinc/50/76/07/556507607.db2.gz NZSHAVJSBHJRRK-CQSZACIVSA-N 0 0 434.732 3.895 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([S@](=O)C(C)C)cc3)CC2)cc1F ZINC000072294501 556508630 /nfs/dbraw/zinc/50/86/30/556508630.db2.gz GYACFBLHKVVMQX-HKBQPEDESA-N 0 0 444.572 3.819 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)o2)cc1 ZINC000032883724 556509539 /nfs/dbraw/zinc/50/95/39/556509539.db2.gz PHWQKNJUEPBPQC-UHFFFAOYSA-N 0 0 425.510 3.761 50 0 IHAARN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc(OC)cc1 ZINC000030854650 556509876 /nfs/dbraw/zinc/50/98/76/556509876.db2.gz LAHAXEGJQKDWJR-NRFANRHFSA-N 0 0 446.569 3.760 50 0 IHAARN COc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1OC ZINC000015209086 556511112 /nfs/dbraw/zinc/51/11/12/556511112.db2.gz PIHDZIGGQYATPH-UHFFFAOYSA-N 0 0 440.569 3.642 50 0 IHAARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000015223450 556512191 /nfs/dbraw/zinc/51/21/91/556512191.db2.gz OYOFDPDPDUNBEF-ORAYPTAESA-N 0 0 449.334 3.849 50 0 IHAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nnc(C)n1-c1ccc(C)cc1 ZINC000015233871 556512910 /nfs/dbraw/zinc/51/29/10/556512910.db2.gz OTMOCKXRBNSDLR-IBGZPJMESA-N 0 0 427.526 3.627 50 0 IHAARN CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000013533392 556512947 /nfs/dbraw/zinc/51/29/47/556512947.db2.gz ASIINCPGMBLXNO-UHFFFAOYSA-N 0 0 437.496 3.613 50 0 IHAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3c2=O)cc1 ZINC000013550649 556514901 /nfs/dbraw/zinc/51/49/01/556514901.db2.gz YXMJNLVBOXLTFW-IBGZPJMESA-N 0 0 439.464 3.576 50 0 IHAARN CSCC[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000030911527 556515010 /nfs/dbraw/zinc/51/50/10/556515010.db2.gz STHSOSLLIVMYIU-FQEVSTJZSA-N 0 0 435.553 3.664 50 0 IHAARN COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000030902151 556515042 /nfs/dbraw/zinc/51/50/42/556515042.db2.gz GEFFHEXNJVANFQ-NRFANRHFSA-N 0 0 441.491 3.865 50 0 IHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cn3ccccc3n2)c1 ZINC000032896028 556515891 /nfs/dbraw/zinc/51/58/91/556515891.db2.gz RIEQFXZYUPQCCH-KRWDZBQOSA-N 0 0 447.516 3.831 50 0 IHAARN CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032719006 556518540 /nfs/dbraw/zinc/51/85/40/556518540.db2.gz GNWKFCYUHKGJSL-UHFFFAOYSA-N 0 0 432.361 3.883 50 0 IHAARN CSc1nc(C)c(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)s1 ZINC000032891594 556519140 /nfs/dbraw/zinc/51/91/40/556519140.db2.gz ZBSTZKKTLBIAJU-UHFFFAOYSA-N 0 0 442.404 3.884 50 0 IHAARN O=C(NCCCCOc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000011080419 556521186 /nfs/dbraw/zinc/52/11/86/556521186.db2.gz DYWGZRHNRDWGAA-UHFFFAOYSA-N 0 0 438.549 3.754 50 0 IHAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2nc(-c3cccs3)no2)C(C)(C)C1 ZINC000072298157 556521638 /nfs/dbraw/zinc/52/16/38/556521638.db2.gz MAELTMLFBSTGCR-UHFFFAOYSA-N 0 0 434.562 3.979 50 0 IHAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@H](C)n3nc(C)cc3C)c(F)c2)n1 ZINC000072300840 556523538 /nfs/dbraw/zinc/52/35/38/556523538.db2.gz JQRYQZDEEMTBRP-MSOLQXFVSA-N 0 0 440.523 3.876 50 0 IHAARN CN(C)c1ccc([C@H](CNC(=O)[C@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000072300994 556523943 /nfs/dbraw/zinc/52/39/43/556523943.db2.gz MDOHRWBLNHMQOL-OZXSUGGESA-N 0 0 446.595 3.593 50 0 IHAARN Cc1c2ccc(OCC(=O)NC[C@H](O)c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000013574707 556524604 /nfs/dbraw/zinc/52/46/04/556524604.db2.gz WZEYHIONASGDFK-DEOSSOPVSA-N 0 0 443.499 3.921 50 0 IHAARN CCOc1ccccc1NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000013576574 556526268 /nfs/dbraw/zinc/52/62/68/556526268.db2.gz IBYQUUHGGVHANS-NRFANRHFSA-N 0 0 435.524 3.973 50 0 IHAARN CC(=O)c1cnn(-c2cc(Oc3ccc(S(=O)(=O)c4ccccc4)cc3)ncn2)c1C ZINC000013577079 556526482 /nfs/dbraw/zinc/52/64/82/556526482.db2.gz RESHLFSTONTCKY-UHFFFAOYSA-N 0 0 434.477 3.798 50 0 IHAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015422952 556527114 /nfs/dbraw/zinc/52/71/14/556527114.db2.gz NSFLITKNFKBNRQ-UHFFFAOYSA-N 0 0 449.580 3.641 50 0 IHAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(C)cc2)no1 ZINC000015449515 556528902 /nfs/dbraw/zinc/52/89/02/556528902.db2.gz PTKILRALUKIBIU-IBGZPJMESA-N 0 0 437.496 3.725 50 0 IHAARN O=C1c2ccccc2N[C@H](c2cc3c(c(Br)c2)OCO3)N1C[C@H]1CCCO1 ZINC000015503800 556531713 /nfs/dbraw/zinc/53/17/13/556531713.db2.gz BOHMAYFVEBJQKT-YJYMSZOUSA-N 0 0 431.286 3.923 50 0 IHAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000032901032 556535349 /nfs/dbraw/zinc/53/53/49/556535349.db2.gz XJSYHUQBBRUDHO-UHFFFAOYSA-N 0 0 426.885 3.768 50 0 IHAARN CSCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 ZINC000032900967 556535382 /nfs/dbraw/zinc/53/53/82/556535382.db2.gz IRQFNSAFRUTZOZ-MAUKXSAKSA-N 0 0 426.542 3.619 50 0 IHAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000015611876 556537983 /nfs/dbraw/zinc/53/79/83/556537983.db2.gz WLTSPHGLCSKWSE-JOCHJYFZSA-N 0 0 441.553 3.618 50 0 IHAARN CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cc2C1=O ZINC000015622167 556538923 /nfs/dbraw/zinc/53/89/23/556538923.db2.gz IETIGBIRRSHRAB-UHFFFAOYSA-N 0 0 435.524 3.719 50 0 IHAARN COCCn1c(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nnc1-c1ccccc1 ZINC000032721563 556547266 /nfs/dbraw/zinc/54/72/66/556547266.db2.gz VHVVZHXNGWLMGB-CQSZACIVSA-N 0 0 442.507 3.873 50 0 IHAARN COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000072303543 556547441 /nfs/dbraw/zinc/54/74/41/556547441.db2.gz OMIYCFHPFMGADQ-OXQOHEQNSA-N 0 0 436.512 3.685 50 0 IHAARN CC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2s1 ZINC000032959504 556549842 /nfs/dbraw/zinc/54/98/42/556549842.db2.gz CZAWFXUICWBELO-UHFFFAOYSA-N 0 0 428.945 3.799 50 0 IHAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015796753 556552215 /nfs/dbraw/zinc/55/22/15/556552215.db2.gz BTDLIEWMPNFRMT-CVDCTZTESA-N 0 0 441.597 3.506 50 0 IHAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115326 556554898 /nfs/dbraw/zinc/55/48/98/556554898.db2.gz CKLOACJVXXGHNV-OAQYLSRUSA-N 0 0 442.581 3.767 50 0 IHAARN Cc1nc(C)c(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)o2)s1 ZINC000032905937 556556940 /nfs/dbraw/zinc/55/69/40/556556940.db2.gz LQXHQSFGQHTXHT-SNVBAGLBSA-N 0 0 432.527 3.551 50 0 IHAARN COc1ccc2nc(C[C@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 ZINC000013681493 556557005 /nfs/dbraw/zinc/55/70/05/556557005.db2.gz STZZSGYDVYDBBB-GMAHTHKFSA-N 0 0 426.538 3.548 50 0 IHAARN COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccccc5)C4)nccn3n2)c1 ZINC000033266435 556557556 /nfs/dbraw/zinc/55/75/56/556557556.db2.gz MPCSDRSAIDIJSC-OAQYLSRUSA-N 0 0 441.535 3.938 50 0 IHAARN COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274733 556559190 /nfs/dbraw/zinc/55/91/90/556559190.db2.gz IULYIRDHOCLRKJ-UHFFFAOYSA-N 0 0 430.570 3.597 50 0 IHAARN O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306973 556560772 /nfs/dbraw/zinc/56/07/72/556560772.db2.gz GCWZZKRFZXRRFB-HRFSGMKKSA-N 0 0 449.414 3.651 50 0 IHAARN O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032907972 556563859 /nfs/dbraw/zinc/56/38/59/556563859.db2.gz AABHVWNSXAZVKQ-KROKWJMESA-N 0 0 432.568 3.696 50 0 IHAARN CC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)CC1 ZINC000015949235 556568860 /nfs/dbraw/zinc/56/88/60/556568860.db2.gz XTWVREIKTHTKJV-UHFFFAOYSA-N 0 0 441.597 3.506 50 0 IHAARN CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000072309197 556569669 /nfs/dbraw/zinc/56/96/69/556569669.db2.gz VNIKMSSVEYPXMK-UHFFFAOYSA-N 0 0 426.542 3.563 50 0 IHAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 ZINC000015999061 556572382 /nfs/dbraw/zinc/57/23/82/556572382.db2.gz GNLHLFDVWOHLNE-SWLSCSKDSA-N 0 0 427.498 3.795 50 0 IHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)NCC(=O)c3ccccc3)cc12 ZINC000002814365 556575062 /nfs/dbraw/zinc/57/50/62/556575062.db2.gz AODINXSCASXLNZ-UHFFFAOYSA-N 0 0 434.546 3.883 50 0 IHAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccco2)cc1)c1ccccc1 ZINC000002991479 556578566 /nfs/dbraw/zinc/57/85/66/556578566.db2.gz HTJGUCZNRITVAK-UHFFFAOYSA-N 0 0 444.578 3.909 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000016101855 556582984 /nfs/dbraw/zinc/58/29/84/556582984.db2.gz VSJYJVLMKVFIJU-UHFFFAOYSA-N 0 0 447.564 3.787 50 0 IHAARN NC(=O)[C@H]1CCCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000034891228 556586105 /nfs/dbraw/zinc/58/61/05/556586105.db2.gz KMVNPNULZZJUFA-BTYIYWSLSA-N 0 0 431.330 3.754 50 0 IHAARN CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016225441 556592419 /nfs/dbraw/zinc/59/24/19/556592419.db2.gz SUOQRPUVTNAGBG-UHFFFAOYSA-N 0 0 439.430 3.942 50 0 IHAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000016248524 556594212 /nfs/dbraw/zinc/59/42/12/556594212.db2.gz SSEPJDBFHOWHFE-UHFFFAOYSA-N 0 0 443.956 3.827 50 0 IHAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NC[C@@H]2CCCO2)c1 ZINC000032974991 556596787 /nfs/dbraw/zinc/59/67/87/556596787.db2.gz UAHGPYCWPADYKK-NRFANRHFSA-N 0 0 435.524 3.784 50 0 IHAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@H]1c1ccccc1 ZINC000036358280 556597357 /nfs/dbraw/zinc/59/73/57/556597357.db2.gz ZBOFSXWQFDNKRP-DNQXCXABSA-N 0 0 437.503 3.876 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 ZINC000100861242 556598101 /nfs/dbraw/zinc/59/81/01/556598101.db2.gz BEJPIPXWCKKNEN-ZMCBVEOSSA-N 0 0 447.557 3.683 50 0 IHAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCc3c(C)noc3C)cc2NC1=O ZINC000032983717 556602360 /nfs/dbraw/zinc/60/23/60/556602360.db2.gz KTHOLUHWDJHHQQ-XKZIYDEJSA-N 0 0 433.464 3.645 50 0 IHAARN Cc1ccc(-c2ncc(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)s2)c(C)c1 ZINC000060275897 556605539 /nfs/dbraw/zinc/60/55/39/556605539.db2.gz XJJZPBKTQOBOFV-UHFFFAOYSA-N 0 0 448.592 3.896 50 0 IHAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc21 ZINC000032986654 556606461 /nfs/dbraw/zinc/60/64/61/556606461.db2.gz ZLIXMIQCUABXAJ-UHFFFAOYSA-N 0 0 433.508 3.647 50 0 IHAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000032987430 556607444 /nfs/dbraw/zinc/60/74/44/556607444.db2.gz LTZYQXMIESEKJE-UHFFFAOYSA-N 0 0 430.917 3.585 50 0 IHAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1)c1cccs1 ZINC000016430583 556607493 /nfs/dbraw/zinc/60/74/93/556607493.db2.gz VXLVIJRCXZXLOY-UHFFFAOYSA-N 0 0 439.518 3.898 50 0 IHAARN COc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495064 556608729 /nfs/dbraw/zinc/60/87/29/556608729.db2.gz TWZKHVKUJCFQSQ-LLVKDONJSA-N 0 0 438.303 3.547 50 0 IHAARN COc1ccc(Br)cc1COC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000016465671 556609725 /nfs/dbraw/zinc/60/97/25/556609725.db2.gz AXMYHWQJGKGOQJ-UHFFFAOYSA-N 0 0 434.286 3.707 50 0 IHAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)cc1 ZINC000038487118 556612852 /nfs/dbraw/zinc/61/28/52/556612852.db2.gz TXLRJPDMNPWAFT-UHFFFAOYSA-N 0 0 449.488 3.559 50 0 IHAARN CC(C)(C)OC(=O)N1CC[C@@H](COc2cnc(Cl)c(I)c2)C1 ZINC000038534078 556613696 /nfs/dbraw/zinc/61/36/96/556613696.db2.gz YNHFHKOVLUOVIG-SNVBAGLBSA-N 0 0 438.693 3.975 50 0 IHAARN CCOc1ccccc1N(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(SC)cc1 ZINC000016610275 556617533 /nfs/dbraw/zinc/61/75/33/556617533.db2.gz MYJBYZZOACMWKL-MRXNPFEDSA-N 0 0 436.599 3.917 50 0 IHAARN CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000033655638 556618617 /nfs/dbraw/zinc/61/86/17/556618617.db2.gz ZWSIPGSLOZYICS-RIYZIHGNSA-N 0 0 444.553 3.920 50 0 IHAARN O=C(Nc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000016652561 556621006 /nfs/dbraw/zinc/62/10/06/556621006.db2.gz CZHHYOJAWRDPDE-UHFFFAOYSA-N 0 0 428.341 3.569 50 0 IHAARN COc1ccccc1N1CN(C[C@@H]2CCCO2)Cn2c(=O)c(Cc3ccccc3)c(C)nc21 ZINC000038830127 556621216 /nfs/dbraw/zinc/62/12/16/556621216.db2.gz HUTPZHYPEXZLSV-NRFANRHFSA-N 0 0 446.551 3.699 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)OCc2ccc(-n3cccn3)cc2)c1=O ZINC000016673926 556622077 /nfs/dbraw/zinc/62/20/77/556622077.db2.gz RAFRIYBVXBBJQI-UHFFFAOYSA-N 0 0 445.504 3.552 50 0 IHAARN CCOc1ccc(-c2nc(COC(=O)c3cccc(-n4cnnn4)c3)cs2)cc1OC ZINC000016684987 556625496 /nfs/dbraw/zinc/62/54/96/556625496.db2.gz LIZFBZXSPKLJRW-UHFFFAOYSA-N 0 0 437.481 3.550 50 0 IHAARN CCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)o1 ZINC000097937977 556627366 /nfs/dbraw/zinc/62/73/66/556627366.db2.gz BGNFETZGFZFMLQ-UHFFFAOYSA-N 0 0 442.907 3.710 50 0 IHAARN COCc1nn2c(ncc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccccc1 ZINC000040396400 556639073 /nfs/dbraw/zinc/63/90/73/556639073.db2.gz FRAAATNVAVJBRC-UHFFFAOYSA-N 0 0 426.476 3.915 50 0 IHAARN O=C(COc1ccccc1)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397357 556639565 /nfs/dbraw/zinc/63/95/65/556639565.db2.gz FBBALPARWBNPGT-UHFFFAOYSA-N 0 0 445.866 3.514 50 0 IHAARN COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000409413439 556640764 /nfs/dbraw/zinc/64/07/64/556640764.db2.gz DIYYNKVBTADWLS-OAQYLSRUSA-N 0 0 446.503 3.987 50 0 IHAARN CC(C)c1cccc2c(O)c(C(=O)Nc3cccc(OCCN4CCOCC4)c3)cnc21 ZINC000409415109 556641685 /nfs/dbraw/zinc/64/16/85/556641685.db2.gz UAQYDXRUWLPWQU-UHFFFAOYSA-N 0 0 435.524 3.615 50 0 IHAARN C[C@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726595 556647376 /nfs/dbraw/zinc/64/73/76/556647376.db2.gz YERLXMLWKMAWHL-HNNXBMFYSA-N 0 0 429.611 3.869 50 0 IHAARN COc1ccc(-c2cc3c4nnc(SCC(=O)N(C)c5ccccc5)n4ccn3n2)cc1 ZINC000038486998 556647933 /nfs/dbraw/zinc/64/79/33/556647933.db2.gz UGERLDPTCQVSNK-UHFFFAOYSA-N 0 0 444.520 3.808 50 0 IHAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000016903068 556648843 /nfs/dbraw/zinc/64/88/43/556648843.db2.gz JDNPASRPBICMKE-ROUUACIJSA-N 0 0 437.540 3.599 50 0 IHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751583 556650896 /nfs/dbraw/zinc/65/08/96/556650896.db2.gz IEADJZDKGPQFCO-CQSZACIVSA-N 0 0 443.550 3.558 50 0 IHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751582 556650912 /nfs/dbraw/zinc/65/09/12/556650912.db2.gz IEADJZDKGPQFCO-AWEZNQCLSA-N 0 0 443.550 3.558 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000017011460 556652751 /nfs/dbraw/zinc/65/27/51/556652751.db2.gz LWCMZULXODYSHX-UHFFFAOYSA-N 0 0 444.940 3.898 50 0 IHAARN CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 ZINC000011758481 556652996 /nfs/dbraw/zinc/65/29/96/556652996.db2.gz KFPWDVVBSFFOEU-UHFFFAOYSA-N 0 0 438.488 3.538 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)cc1C ZINC000038652217 556653654 /nfs/dbraw/zinc/65/36/54/556653654.db2.gz ZRHYFTJLYIQAKB-UHFFFAOYSA-N 0 0 446.898 3.720 50 0 IHAARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1 ZINC000017056378 556654753 /nfs/dbraw/zinc/65/47/53/556654753.db2.gz GMYAYVXAEFEXDN-IBGZPJMESA-N 0 0 437.525 3.945 50 0 IHAARN Cc1ccc(C)c(N2CCN(C(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)c1 ZINC000033005488 556654996 /nfs/dbraw/zinc/65/49/96/556654996.db2.gz GIILOUMYMLPZRC-UHFFFAOYSA-N 0 0 432.568 3.678 50 0 IHAARN O=C(c1cc(-c2cccnc2)on1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000032926788 556655701 /nfs/dbraw/zinc/65/57/01/556655701.db2.gz BOKIUTFXTMMOQB-UHFFFAOYSA-N 0 0 431.521 3.818 50 0 IHAARN O=C(NCCN1CCCS1(=O)=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000061597783 556657795 /nfs/dbraw/zinc/65/77/95/556657795.db2.gz NNOYHQHFQUWMBX-UHFFFAOYSA-N 0 0 427.762 3.627 50 0 IHAARN COc1ccccc1CNC(=O)CSc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000033011746 556659634 /nfs/dbraw/zinc/65/96/34/556659634.db2.gz GUYIAAPGXDFYPS-UHFFFAOYSA-N 0 0 428.539 3.516 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000017096255 556660001 /nfs/dbraw/zinc/66/00/01/556660001.db2.gz OBUSWCIEJFNAOC-AWEZNQCLSA-N 0 0 428.963 3.561 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000017096654 556660509 /nfs/dbraw/zinc/66/05/09/556660509.db2.gz MJHGYZJORHRGEQ-UHFFFAOYSA-N 0 0 429.611 3.928 50 0 IHAARN COc1cccc(CNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)c1 ZINC000033012119 556660749 /nfs/dbraw/zinc/66/07/49/556660749.db2.gz JGDRGBLPBWCTGO-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN CCC[C@H](C)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC000248092833 556662454 /nfs/dbraw/zinc/66/24/54/556662454.db2.gz HJZOANJVZHTLCR-SGXKBVARSA-N 0 0 428.554 3.999 50 0 IHAARN Cc1cc(C)n2nc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)nc2n1 ZINC000033014213 556664407 /nfs/dbraw/zinc/66/44/07/556664407.db2.gz SCFOUVBTSIVZMY-UHFFFAOYSA-N 0 0 445.907 3.929 50 0 IHAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c12 ZINC000043727703 556665013 /nfs/dbraw/zinc/66/50/13/556665013.db2.gz GMVMGZOPDKZQCA-UHFFFAOYSA-N 0 0 435.528 3.637 50 0 IHAARN CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)c(C(=O)NC2CCCC2)n1 ZINC000017101549 556666112 /nfs/dbraw/zinc/66/61/12/556666112.db2.gz PDONRKRQENWNCK-UHFFFAOYSA-N 0 0 437.548 3.770 50 0 IHAARN COc1ccc(CCC(=O)NC2CCC(NC(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC000017102645 556666738 /nfs/dbraw/zinc/66/67/38/556666738.db2.gz CNQOEVRJHWREGY-UHFFFAOYSA-N 0 0 438.568 3.813 50 0 IHAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000011866919 556667038 /nfs/dbraw/zinc/66/70/38/556667038.db2.gz WFOZOWBLYQCZSL-CLOONOSVSA-N 0 0 427.541 3.976 50 0 IHAARN Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc12 ZINC000017107775 556667590 /nfs/dbraw/zinc/66/75/90/556667590.db2.gz CKGBMRLMBSZSQP-CQSZACIVSA-N 0 0 440.525 3.593 50 0 IHAARN CCn1c(CSc2nnc3n2CCCN3)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000017173083 556671436 /nfs/dbraw/zinc/67/14/36/556671436.db2.gz DPPOWOFBVWLZIZ-UHFFFAOYSA-N 0 0 449.993 3.626 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1Cl ZINC000011906513 556671658 /nfs/dbraw/zinc/67/16/58/556671658.db2.gz YCKJLOBMXPPMTI-UHFFFAOYSA-N 0 0 443.912 3.747 50 0 IHAARN Cc1nc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc1C(=O)OCC(C)C ZINC000011916028 556673032 /nfs/dbraw/zinc/67/30/32/556673032.db2.gz ISVLDJUEVZZBFC-UHFFFAOYSA-N 0 0 443.481 3.943 50 0 IHAARN COc1ccc(N2C(=O)C[C@H](N3CCc4c5cc(Cl)ccc5[nH]c4C3)C2=O)c(OC)c1 ZINC000100792626 556673231 /nfs/dbraw/zinc/67/32/31/556673231.db2.gz HDEMSMVOVFCRIO-FQEVSTJZSA-N 0 0 439.899 3.529 50 0 biogenic IHAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000011914671 556673867 /nfs/dbraw/zinc/67/38/67/556673867.db2.gz FRLIISOOOPBPAU-SFHVURJKSA-N 0 0 448.903 3.964 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c(OC)c1 ZINC000011918718 556675073 /nfs/dbraw/zinc/67/50/73/556675073.db2.gz UGIWMPGMARTSGT-UHFFFAOYSA-N 0 0 437.471 3.967 50 0 IHAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(OC)c1 ZINC000011918730 556675087 /nfs/dbraw/zinc/67/50/87/556675087.db2.gz PZCIXPPOPALZIC-UHFFFAOYSA-N 0 0 425.481 3.803 50 0 IHAARN NC(=O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 ZINC000032931350 556675446 /nfs/dbraw/zinc/67/54/46/556675446.db2.gz ALMYTKKSDJYKRB-UHFFFAOYSA-N 0 0 426.270 3.665 50 0 IHAARN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000011981012 556678078 /nfs/dbraw/zinc/67/80/78/556678078.db2.gz FKWSQKGFYQCOMG-UHFFFAOYSA-N 0 0 433.533 3.574 50 0 IHAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)cc2F)n1 ZINC000012007993 556680695 /nfs/dbraw/zinc/68/06/95/556680695.db2.gz XGDYCWNAOPMQKM-UHFFFAOYSA-N 0 0 425.395 3.870 50 0 IHAARN CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c(F)c1 ZINC000060324056 556685857 /nfs/dbraw/zinc/68/58/57/556685857.db2.gz XXWGWRXDCHQBAN-UHFFFAOYSA-N 0 0 448.541 3.635 50 0 IHAARN Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1C ZINC000018247593 556688176 /nfs/dbraw/zinc/68/81/76/556688176.db2.gz JIDICQFXFCGUHH-HMYFDTNDSA-N 0 0 425.525 3.763 50 0 IHAARN C[C@H](CC(=O)NCCC1=CCCCC1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005523 556689608 /nfs/dbraw/zinc/68/96/08/556689608.db2.gz CNTRHPPRWUWWTI-KRWDZBQOSA-N 0 0 437.519 3.595 50 0 IHAARN COc1ccc([C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(C)C)cc1OC ZINC000252480698 556689907 /nfs/dbraw/zinc/68/99/07/556689907.db2.gz CDLHOXWTIHKOIK-XMSQKQJNSA-N 0 0 439.512 3.627 50 0 IHAARN CC(C)c1nc(-c2cccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)c2)n[nH]1 ZINC000252527655 556690812 /nfs/dbraw/zinc/69/08/12/556690812.db2.gz DCEKFIVAXIBDFE-GOSISDBHSA-N 0 0 432.484 3.714 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(C)s2)c1 ZINC000010647679 556691077 /nfs/dbraw/zinc/69/10/77/556691077.db2.gz LWODOZUGPNYZAX-UHFFFAOYSA-N 0 0 444.962 3.536 50 0 IHAARN CCc1ccc(C2=NN(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)C(=O)CC2)cc1 ZINC000013543603 556696199 /nfs/dbraw/zinc/69/61/99/556696199.db2.gz WAPUUGRUEIYXLZ-KRWDZBQOSA-N 0 0 435.524 3.614 50 0 IHAARN CCOC(=O)[C@H](NC(=O)c1csc(Cl)n1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000253425882 556697332 /nfs/dbraw/zinc/69/73/32/556697332.db2.gz FFRPVZHAIARGHR-MRXNPFEDSA-N 0 0 436.896 3.772 50 0 IHAARN O=C(Cn1cnc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(Br)cc1 ZINC000033026286 556703178 /nfs/dbraw/zinc/70/31/78/556703178.db2.gz KUJLFPMWDBCRTN-UHFFFAOYSA-N 0 0 434.681 3.585 50 0 IHAARN O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1 ZINC000001234841 556717994 /nfs/dbraw/zinc/71/79/94/556717994.db2.gz AEXSGQCJXCUMCT-VVBFCDGFSA-N 0 0 440.253 3.820 50 0 IHAARN CC[C@H](NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc(Br)cc1 ZINC000011132871 556718044 /nfs/dbraw/zinc/71/80/44/556718044.db2.gz UQQHUTPMDSWYPT-ONYGOOLBSA-N 0 0 436.346 3.955 50 0 IHAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138557320 556718741 /nfs/dbraw/zinc/71/87/41/556718741.db2.gz QHWCEOJNUJKGCS-YQVWRLOYSA-N 0 0 432.307 3.538 50 0 IHAARN Cc1ccc(Cl)cc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000033037532 556722715 /nfs/dbraw/zinc/72/27/15/556722715.db2.gz BPSJXZPKRCOFBT-UHFFFAOYSA-N 0 0 437.931 3.939 50 0 IHAARN COc1ccc(CCn2cc(C(=O)N[C@H]3CCOC(C)(C)C3)c3ccccc3c2=O)cc1 ZINC000072325392 556723650 /nfs/dbraw/zinc/72/36/50/556723650.db2.gz HGHOPAFEWIOOHO-IBGZPJMESA-N 0 0 434.536 3.940 50 0 biogenic IHAARN COc1ccccc1NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000061717427 556723978 /nfs/dbraw/zinc/72/39/78/556723978.db2.gz FLCSEIMPRYJEKF-UHFFFAOYSA-N 0 0 428.496 3.655 50 0 IHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000033040278 556732013 /nfs/dbraw/zinc/73/20/13/556732013.db2.gz OVKUMFSBRGBRNM-MSOLQXFVSA-N 0 0 447.576 3.673 50 0 IHAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 ZINC000019296754 556734564 /nfs/dbraw/zinc/73/45/64/556734564.db2.gz USSPFKVDEFFJCK-WIOPSUGQSA-N 0 0 445.544 3.656 50 0 IHAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3nccc4ccccc43)C2)CC1 ZINC000055108896 556735018 /nfs/dbraw/zinc/73/50/18/556735018.db2.gz GEWRQBVODAJOEM-NRFANRHFSA-N 0 0 430.552 3.670 50 0 IHAARN Cc1cccn2c(=O)cc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)nc12 ZINC000019299012 556735189 /nfs/dbraw/zinc/73/51/89/556735189.db2.gz FNRUKNVFLPHYAT-UHFFFAOYSA-N 0 0 432.553 3.866 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000019309313 556735305 /nfs/dbraw/zinc/73/53/05/556735305.db2.gz RIWUPEWXZNWTPZ-UHFFFAOYSA-N 0 0 433.986 3.970 50 0 IHAARN O=C(c1scc2c1OCCO2)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055309424 556740088 /nfs/dbraw/zinc/74/00/88/556740088.db2.gz XCHIYDBQCPQHBS-GOSISDBHSA-N 0 0 447.988 3.600 50 0 IHAARN O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@H]1c1nccs1 ZINC000055575285 556742548 /nfs/dbraw/zinc/74/25/48/556742548.db2.gz PIWSCXOWOLRHRG-IBGZPJMESA-N 0 0 441.532 3.570 50 0 IHAARN CO[C@H]1CCCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000055575751 556742867 /nfs/dbraw/zinc/74/28/67/556742867.db2.gz GANDASARPSYVPU-FQEVSTJZSA-N 0 0 438.959 3.797 50 0 IHAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(Cc4nonc4C)CC3)ccc21 ZINC000057986883 556750415 /nfs/dbraw/zinc/75/04/15/556750415.db2.gz PUYXNCIFLZCOPG-SFHVURJKSA-N 0 0 446.555 3.651 50 0 IHAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccccc1C ZINC000057993764 556751512 /nfs/dbraw/zinc/75/15/12/556751512.db2.gz RVSDIASYYDHNSD-UHFFFAOYSA-N 0 0 439.537 3.748 50 0 IHAARN O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057996054 556751593 /nfs/dbraw/zinc/75/15/93/556751593.db2.gz OQQWNBZCIFTTQB-KRWDZBQOSA-N 0 0 439.947 3.796 50 0 IHAARN O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057996051 556751658 /nfs/dbraw/zinc/75/16/58/556751658.db2.gz OQQWNBZCIFTTQB-QGZVFWFLSA-N 0 0 439.947 3.796 50 0 IHAARN CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000058003556 556752091 /nfs/dbraw/zinc/75/20/91/556752091.db2.gz AIOKFQFUEDMZGN-UHFFFAOYSA-N 0 0 432.929 3.951 50 0 IHAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCCNc1ncnc2sccc21 ZINC000058005492 556752706 /nfs/dbraw/zinc/75/27/06/556752706.db2.gz WAPYVFXDEXHSJN-UHFFFAOYSA-N 0 0 442.495 3.543 50 0 IHAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC000058086689 556757370 /nfs/dbraw/zinc/75/73/70/556757370.db2.gz CWHHAYSUUPTBDL-INIZCTEOSA-N 0 0 442.516 3.635 50 0 IHAARN COc1cc2c(cc1OC)C(=O)N[C@@]1(N2)c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000058157420 556763012 /nfs/dbraw/zinc/76/30/12/556763012.db2.gz YFORYCLYGDCMQU-DEOSSOPVSA-N 0 0 449.894 3.912 50 0 IHAARN COc1cccc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)n2)c1 ZINC000062006941 556765076 /nfs/dbraw/zinc/76/50/76/556765076.db2.gz UCJTXFIKFIVFOF-UHFFFAOYSA-N 0 0 426.904 3.687 50 0 IHAARN O=C(c1cc2ccccc2[nH]1)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 ZINC000062007400 556765761 /nfs/dbraw/zinc/76/57/61/556765761.db2.gz AIDDJLWHYAOIII-UHFFFAOYSA-N 0 0 429.480 3.639 50 0 IHAARN Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCOCC3)ccc21 ZINC000034107155 556767745 /nfs/dbraw/zinc/76/77/45/556767745.db2.gz WOODERVCXQCPRD-PTGBLXJZSA-N 0 0 439.515 3.961 50 0 IHAARN Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)[C@H](c3ccco3)C2)cc1 ZINC000058170541 556768043 /nfs/dbraw/zinc/76/80/43/556768043.db2.gz PEENFIRLTZUOAD-QHCPKHFHSA-N 0 0 444.535 3.794 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000019485594 556768316 /nfs/dbraw/zinc/76/83/16/556768316.db2.gz ZOYJCVVQXYHTSO-CYBMUJFWSA-N 0 0 440.477 3.943 50 0 IHAARN Cc1cc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1Br ZINC000010657323 556768453 /nfs/dbraw/zinc/76/84/53/556768453.db2.gz ZTLXTOZOVJTCQY-UHFFFAOYSA-N 0 0 434.319 3.547 50 0 IHAARN CC(=O)N1c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccncc3)cc2C[C@H]1C ZINC000058218364 556772879 /nfs/dbraw/zinc/77/28/79/556772879.db2.gz BGAFWIIEVBXAND-LJQANCHMSA-N 0 0 449.576 3.813 50 0 IHAARN Cc1sc(=O)n(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(F)cc1 ZINC000058292311 556777723 /nfs/dbraw/zinc/77/77/23/556777723.db2.gz TWKYYBJIYUPBKM-UHFFFAOYSA-N 0 0 449.548 3.540 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COCC(F)(F)F)c2)cc1 ZINC000058291618 556777732 /nfs/dbraw/zinc/77/77/32/556777732.db2.gz HLRHWYGDBMBWSH-OAHLLOKOSA-N 0 0 444.475 3.801 50 0 IHAARN Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)c(C)o1 ZINC000058292451 556778018 /nfs/dbraw/zinc/77/80/18/556778018.db2.gz UJBNAOANEDSKFI-PEBXRYMYSA-N 0 0 427.526 3.581 50 0 IHAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@H]4CCCO4)o3)s2)c1C ZINC000058305022 556778833 /nfs/dbraw/zinc/77/88/33/556778833.db2.gz NUDRWWMOTBSLBY-CYBMUJFWSA-N 0 0 432.531 3.864 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3nc4ccccc4s3)n2c1 ZINC000011179355 556779051 /nfs/dbraw/zinc/77/90/51/556779051.db2.gz BFXKXNPWISNXBG-UHFFFAOYSA-N 0 0 433.584 3.662 50 0 IHAARN O=S(=O)(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1F ZINC000058307371 556779295 /nfs/dbraw/zinc/77/92/95/556779295.db2.gz ISEQJTGZPNHBCC-LBPRGKRZSA-N 0 0 431.302 3.532 50 0 IHAARN CC[C@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C)N1CCOCC1 ZINC000058405254 556785798 /nfs/dbraw/zinc/78/57/98/556785798.db2.gz GGHXKRDKCXAJAU-XHNVNVPESA-N 0 0 444.620 3.736 50 0 IHAARN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccccc1 ZINC000019534898 556793954 /nfs/dbraw/zinc/79/39/54/556793954.db2.gz AANRBFYENZJEQU-UHFFFAOYSA-N 0 0 448.479 3.959 50 0 IHAARN COc1ccc(CCC(=O)Nc2ccc(-n3cc(Br)cn3)nc2)cc1OC ZINC000072401738 556799500 /nfs/dbraw/zinc/79/95/00/556799500.db2.gz SYNIZWMBQQTLBI-UHFFFAOYSA-N 0 0 431.290 3.618 50 0 IHAARN COC(=O)CCCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000060126383 556806930 /nfs/dbraw/zinc/80/69/30/556806930.db2.gz MIGKIUREQUTIQA-UHFFFAOYSA-N 0 0 434.418 3.755 50 0 IHAARN CCn1c(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)nc2cc(F)ccc21 ZINC000060375413 556807847 /nfs/dbraw/zinc/80/78/47/556807847.db2.gz MMFJYXSPWXTWBV-UHFFFAOYSA-N 0 0 432.446 3.755 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000003357124 556811625 /nfs/dbraw/zinc/81/16/25/556811625.db2.gz ZOLQYVMHGXDMLD-UHFFFAOYSA-N 0 0 437.543 3.772 50 0 IHAARN COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F ZINC000003333268 556812406 /nfs/dbraw/zinc/81/24/06/556812406.db2.gz DEOLGYONSFHJEP-UHFFFAOYSA-N 0 0 428.485 3.664 50 0 IHAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 ZINC000072402392 556815652 /nfs/dbraw/zinc/81/56/52/556815652.db2.gz BSJHCMAEYQYJBZ-DEOSSOPVSA-N 0 0 446.595 3.939 50 0 IHAARN COc1ccc(-c2nc(Cn3cnc4nc5c(cc4c3=O)C[C@H](C)CC5)c(C)o2)cc1OC ZINC000033059717 556816271 /nfs/dbraw/zinc/81/62/71/556816271.db2.gz DIRJRDQRNDXOJI-CQSZACIVSA-N 0 0 446.507 3.945 50 0 IHAARN CCc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000033062752 556817428 /nfs/dbraw/zinc/81/74/28/556817428.db2.gz ZOKKFMLFRSNLEB-UHFFFAOYSA-N 0 0 447.944 3.508 50 0 IHAARN CC(C)CCNC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063378 556818787 /nfs/dbraw/zinc/81/87/87/556818787.db2.gz XBKIKVLKROSWEC-SFHVURJKSA-N 0 0 441.475 3.884 50 0 IHAARN Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 ZINC000033068148 556820838 /nfs/dbraw/zinc/82/08/38/556820838.db2.gz SQHQPCOBUVWBDG-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN Cc1ccc2nc(COc3cccc(NC(=O)COc4ccccc4C)c3)cc(=O)n2c1 ZINC000033068147 556820914 /nfs/dbraw/zinc/82/09/14/556820914.db2.gz WWFLRMJSYYWPIL-UHFFFAOYSA-N 0 0 429.476 3.908 50 0 IHAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206670473 556827429 /nfs/dbraw/zinc/82/74/29/556827429.db2.gz ICXCTIACGSAUFO-AEFFLSMTSA-N 0 0 427.545 3.704 50 0 IHAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)cc1 ZINC000064983988 556829955 /nfs/dbraw/zinc/82/99/55/556829955.db2.gz PPDXGSYPTKYBPM-NRFANRHFSA-N 0 0 444.553 3.747 50 0 IHAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)cc1 ZINC000064983986 556830017 /nfs/dbraw/zinc/83/00/17/556830017.db2.gz PPDXGSYPTKYBPM-OAQYLSRUSA-N 0 0 444.553 3.747 50 0 IHAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C ZINC000019636439 556835348 /nfs/dbraw/zinc/83/53/48/556835348.db2.gz IFBSSBADDKPCFT-UHFFFAOYSA-N 0 0 442.541 3.801 50 0 IHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(Cl)ccc3OC)C2=O)cc1 ZINC000096551182 556836258 /nfs/dbraw/zinc/83/62/58/556836258.db2.gz NTAQJYPIUSTNJE-WOJGMQOQSA-N 0 0 446.912 3.824 50 0 IHAARN COC(=O)c1c(NC(=S)N2CCN(c3cccc(O)c3)CC2)sc2c1CC[C@@H](C)C2 ZINC000019643958 556838805 /nfs/dbraw/zinc/83/88/05/556838805.db2.gz XWUUQXOEHVIPEC-CQSZACIVSA-N 0 0 445.610 3.884 50 0 IHAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000019683181 556841857 /nfs/dbraw/zinc/84/18/57/556841857.db2.gz QZOYQPBYEIQASW-UHFFFAOYSA-N 0 0 437.473 3.579 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000011214922 556842929 /nfs/dbraw/zinc/84/29/29/556842929.db2.gz AFHAYSOQSSSTSM-QHCPKHFHSA-N 0 0 440.565 3.557 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nc(C)n2)n1 ZINC000067602002 556843307 /nfs/dbraw/zinc/84/33/07/556843307.db2.gz AUCNDHSFAQTIFQ-UHFFFAOYSA-N 0 0 439.951 3.903 50 0 IHAARN CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(Cl)c1)S(C)(=O)=O ZINC000067622731 556844967 /nfs/dbraw/zinc/84/49/67/556844967.db2.gz RMWMRWMDELDNTE-UHFFFAOYSA-N 0 0 449.960 3.614 50 0 IHAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ccccc3O)CC2)c1 ZINC000096793769 556845796 /nfs/dbraw/zinc/84/57/96/556845796.db2.gz NHNXLOVHLXEVKL-UHFFFAOYSA-N 0 0 444.535 3.714 50 0 IHAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N3CCCCCC3)c(O)c2c1 ZINC000004647455 556849261 /nfs/dbraw/zinc/84/92/61/556849261.db2.gz GKGAXSSVXPZTGO-UHFFFAOYSA-N 0 0 439.537 3.654 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000008848425 556850074 /nfs/dbraw/zinc/85/00/74/556850074.db2.gz GJGGBUQJKNKJBO-UHFFFAOYSA-N 0 0 448.430 3.527 50 0 IHAARN O=C(NCc1ccccc1F)C1CCN(c2nc3cc(Br)ccc3[nH]2)CC1 ZINC000033071251 556851417 /nfs/dbraw/zinc/85/14/17/556851417.db2.gz SGAUQUWDYXWWHN-UHFFFAOYSA-N 0 0 431.309 3.997 50 0 IHAARN O=C(C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000033071095 556851516 /nfs/dbraw/zinc/85/15/16/556851516.db2.gz RVXCHSLCHTYMDH-UHFFFAOYSA-N 0 0 437.975 3.777 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000033071229 556851606 /nfs/dbraw/zinc/85/16/06/556851606.db2.gz DSTZYFUHQNHZLN-UHFFFAOYSA-N 0 0 443.345 3.867 50 0 IHAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N(C)C)cc12 ZINC000033087840 556855452 /nfs/dbraw/zinc/85/54/52/556855452.db2.gz MFUVVXCOOKTYRW-HNNXBMFYSA-N 0 0 429.567 3.913 50 0 IHAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000033122432 556863322 /nfs/dbraw/zinc/86/33/22/556863322.db2.gz APKGPWISZFFPJZ-UHFFFAOYSA-N 0 0 427.448 3.680 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033125390 556866518 /nfs/dbraw/zinc/86/65/18/556866518.db2.gz NYDYFUWFAGNPAN-HNNXBMFYSA-N 0 0 427.888 3.917 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)c1 ZINC000033126658 556867406 /nfs/dbraw/zinc/86/74/06/556867406.db2.gz QGXSIZLTEVOWAO-UHFFFAOYSA-N 0 0 436.439 3.765 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(CCn2c3ncccc3nc2C(C)C)CC1 ZINC000033139839 556874969 /nfs/dbraw/zinc/87/49/69/556874969.db2.gz GFTQOYAAZUCULZ-UHFFFAOYSA-N 0 0 436.560 3.803 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(CCc2ccccc2)CC1 ZINC000011228656 556876242 /nfs/dbraw/zinc/87/62/42/556876242.db2.gz XXYKDMJGQDTTRP-UHFFFAOYSA-N 0 0 440.609 3.959 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000033141756 556877920 /nfs/dbraw/zinc/87/79/20/556877920.db2.gz XLRROWOYIOOMBF-UHFFFAOYSA-N 0 0 430.551 3.820 50 0 IHAARN COc1cc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000033141781 556878251 /nfs/dbraw/zinc/87/82/51/556878251.db2.gz MNBIRPNCWDKZPX-UHFFFAOYSA-N 0 0 432.523 3.843 50 0 IHAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nc2cccnc21 ZINC000033170379 556885716 /nfs/dbraw/zinc/88/57/16/556885716.db2.gz MPIRTVYNVNRJKT-UHFFFAOYSA-N 0 0 438.409 3.944 50 0 IHAARN COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000016032462 556892135 /nfs/dbraw/zinc/89/21/35/556892135.db2.gz SNTJTEVKGUJQCL-YNJKOYDBSA-N 0 0 440.540 3.716 50 0 biogenic IHAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000033251912 556892321 /nfs/dbraw/zinc/89/23/21/556892321.db2.gz XQDWGUNHWDRYQQ-SFHVURJKSA-N 0 0 427.353 3.853 50 0 IHAARN CCCCOC(=O)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000016041968 556893143 /nfs/dbraw/zinc/89/31/43/556893143.db2.gz CZEONOIBXLNPRL-FUHWJXTLSA-N 0 0 425.554 3.621 50 0 biogenic IHAARN COC(=O)c1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000033263693 556906963 /nfs/dbraw/zinc/90/69/63/556906963.db2.gz RMGVRZLFFFWKGZ-UHFFFAOYSA-N 0 0 429.480 3.630 50 0 IHAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019809772 556918512 /nfs/dbraw/zinc/91/85/12/556918512.db2.gz JBAXUKHYMJRXQT-QGZVFWFLSA-N 0 0 427.570 3.823 50 0 IHAARN CC(=O)Nc1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 ZINC000019821614 556924669 /nfs/dbraw/zinc/92/46/69/556924669.db2.gz ZAHSJTLXUPXVPQ-UHFFFAOYSA-N 0 0 428.427 3.501 50 0 IHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859944 556932460 /nfs/dbraw/zinc/93/24/60/556932460.db2.gz NLUPQYQZXIDGTF-ZDUSSCGKSA-N 0 0 428.888 3.799 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019860404 556932793 /nfs/dbraw/zinc/93/27/93/556932793.db2.gz JJCGGVIYNIKALT-GOSISDBHSA-N 0 0 434.945 3.723 50 0 IHAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 ZINC000019860743 556933140 /nfs/dbraw/zinc/93/31/40/556933140.db2.gz MPUGCYLAUSACEQ-QGZVFWFLSA-N 0 0 436.961 3.919 50 0 IHAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)sc(Br)c21 ZINC000019878312 556936115 /nfs/dbraw/zinc/93/61/15/556936115.db2.gz HHGAXJHAUDQBPU-UHFFFAOYSA-N 0 0 428.695 3.622 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000019897669 556940595 /nfs/dbraw/zinc/94/05/95/556940595.db2.gz ODHWQEDBLRKJMO-UHFFFAOYSA-N 0 0 438.477 3.875 50 0 IHAARN CC(=O)CSc1nnc([C@@H]2CC(c3ccc(Cl)cc3)=NNC2=O)n1-c1ccccc1 ZINC000019897575 556940648 /nfs/dbraw/zinc/94/06/48/556940648.db2.gz UHEINNIDVMIIIK-KRWDZBQOSA-N 0 0 439.928 3.610 50 0 IHAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)o1)N1CCN(C2CCCCC2)CC1 ZINC000033263894 556955446 /nfs/dbraw/zinc/95/54/46/556955446.db2.gz PNJVRZDRADGJIP-UHFFFAOYSA-N 0 0 433.452 3.592 50 0 IHAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000020002044 556957700 /nfs/dbraw/zinc/95/77/00/556957700.db2.gz SQUKZKTYJAQVML-ZDUSSCGKSA-N 0 0 426.420 3.548 50 0 IHAARN O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000020003694 556957740 /nfs/dbraw/zinc/95/77/40/556957740.db2.gz FQVFNIMKJVJIFX-UHFFFAOYSA-N 0 0 447.516 3.789 50 0 IHAARN CCc1ccc(OCc2ccc(C3N=NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000020028642 556967628 /nfs/dbraw/zinc/96/76/28/556967628.db2.gz AMQGSFKIBJKCJV-UHFFFAOYSA-N 0 0 428.558 3.691 50 0 IHAARN COc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000033266542 556977195 /nfs/dbraw/zinc/97/71/95/556977195.db2.gz PMLWCGSEWGZAAR-UHFFFAOYSA-N 0 0 447.564 3.999 50 0 IHAARN COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccco5)CC4)nccn3n2)c1 ZINC000033266712 556977972 /nfs/dbraw/zinc/97/79/72/556977972.db2.gz WRNABGSLUHGVNM-UHFFFAOYSA-N 0 0 431.496 3.531 50 0 IHAARN Cc1cccc(CN(Cc2ccccn2)C(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000097002649 556978549 /nfs/dbraw/zinc/97/85/49/556978549.db2.gz NFFXADJSKDKEPC-UHFFFAOYSA-N 0 0 442.313 3.704 50 0 IHAARN CCc1nc(SCC(=O)Nc2ncc(Br)cc2Br)[nH]c1C ZINC000020095076 556979188 /nfs/dbraw/zinc/97/91/88/556979188.db2.gz WHKDHMNLXGFAQW-UHFFFAOYSA-N 0 0 434.157 3.931 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033268488 556984019 /nfs/dbraw/zinc/98/40/19/556984019.db2.gz JHOSHNIGEBJPEC-HSZRJFAPSA-N 0 0 446.532 3.543 50 0 IHAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1 ZINC000033268475 556984097 /nfs/dbraw/zinc/98/40/97/556984097.db2.gz AQWFIBKRNFDSQL-UHFFFAOYSA-N 0 0 440.308 3.922 50 0 IHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[C@@H](c1cccnc1)N(C)C2=O ZINC000020113789 556986798 /nfs/dbraw/zinc/98/67/98/556986798.db2.gz AJQUPUDDSQWYMM-HKHQJRESSA-N 0 0 437.540 3.514 50 0 IHAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000020131483 556987860 /nfs/dbraw/zinc/98/78/60/556987860.db2.gz YDDCLIJSHIVCRX-UHFFFAOYSA-N 0 0 448.479 3.877 50 0 IHAARN CN1c2cc(C(=O)NCc3ccccc3Br)ccc2C(=O)N2CCCC[C@H]12 ZINC000097111066 556990109 /nfs/dbraw/zinc/99/01/09/556990109.db2.gz DSWQZPMPMCGPAT-LJQANCHMSA-N 0 0 428.330 3.781 50 0 IHAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(F)cc4C)CC3)c2c1 ZINC000020213154 556999064 /nfs/dbraw/zinc/99/90/64/556999064.db2.gz FIKQJLVORIKSGX-UHFFFAOYSA-N 0 0 437.515 3.559 50 0 IHAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020224056 557000720 /nfs/dbraw/zinc/00/07/20/557000720.db2.gz AASSAEMKHZWXDP-UHFFFAOYSA-N 0 0 440.274 3.918 50 0 IHAARN COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(C)c4)c3=O)n2)cc1OC ZINC000023125864 557007649 /nfs/dbraw/zinc/00/76/49/557007649.db2.gz QJNFIXNUFZSONS-UHFFFAOYSA-N 0 0 446.463 3.530 50 0 IHAARN Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000020356836 557010761 /nfs/dbraw/zinc/01/07/61/557010761.db2.gz BWWHUYVAZAIINX-UHFFFAOYSA-N 0 0 425.410 3.982 50 0 IHAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc(=O)oc2c1 ZINC000020407868 557013849 /nfs/dbraw/zinc/01/38/49/557013849.db2.gz SKOVQSRJEVWPOO-UHFFFAOYSA-N 0 0 425.916 3.511 50 0 IHAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCN1CCOCC1)c1ccccc1 ZINC000020418576 557014753 /nfs/dbraw/zinc/01/47/53/557014753.db2.gz GAEARGBIQYZGCY-UHFFFAOYSA-N 0 0 447.944 3.572 50 0 IHAARN O=C(CNc1ccc(OC(F)F)c(Cl)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011267016 557015255 /nfs/dbraw/zinc/01/52/55/557015255.db2.gz TWUKTNOCNZSYCP-HNNXBMFYSA-N 0 0 444.887 3.574 50 0 IHAARN Cc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)N4CCOCC4)cc(C)c23)c1 ZINC000045986570 557015864 /nfs/dbraw/zinc/01/58/64/557015864.db2.gz AIZZJDGSUIOCHF-UHFFFAOYSA-N 0 0 442.519 3.942 50 0 IHAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000023136987 557019198 /nfs/dbraw/zinc/01/91/98/557019198.db2.gz BRPNBPMAQJTIMF-KRWDZBQOSA-N 0 0 437.521 3.776 50 0 IHAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2SCc2ccsc2)cc1 ZINC000010707103 557019405 /nfs/dbraw/zinc/01/94/05/557019405.db2.gz YWEGZSMHGQWJIB-UHFFFAOYSA-N 0 0 432.592 3.759 50 0 IHAARN CCOC(=O)c1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)cc1 ZINC000032943585 557020579 /nfs/dbraw/zinc/02/05/79/557020579.db2.gz MEUQXQIFZCVRHE-UHFFFAOYSA-N 0 0 425.510 3.940 50 0 IHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc1Cl ZINC000032943901 557021625 /nfs/dbraw/zinc/02/16/25/557021625.db2.gz LABMIVJGHAIKID-NSHDSACASA-N 0 0 426.947 3.997 50 0 IHAARN O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NCCc1ccccc1 ZINC000023139676 557022372 /nfs/dbraw/zinc/02/23/72/557022372.db2.gz UMXZJJMTFJHLSL-UHFFFAOYSA-N 0 0 446.532 3.987 50 0 IHAARN COc1ccccc1N1CCN(c2c3c(nc4nc(-c5ccco5)nn42)CCCC3)CC1 ZINC000046022565 557022563 /nfs/dbraw/zinc/02/25/63/557022563.db2.gz QKTZDOWBDOEFIL-UHFFFAOYSA-N 0 0 430.512 3.598 50 0 IHAARN CCc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1 ZINC000010741135 557023219 /nfs/dbraw/zinc/02/32/19/557023219.db2.gz VFEQRAPWMARNQX-UHFFFAOYSA-N 0 0 442.585 3.738 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2c(C)nc3sccn32)n1C ZINC000023141454 557023531 /nfs/dbraw/zinc/02/35/31/557023531.db2.gz JJRKKLVFSYIDOX-UHFFFAOYSA-N 0 0 448.961 3.893 50 0 IHAARN O=C(Cc1cccc2ccccc21)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 ZINC000023139397 557023952 /nfs/dbraw/zinc/02/39/52/557023952.db2.gz HQPHDBAQSJVONK-UHFFFAOYSA-N 0 0 446.532 3.874 50 0 IHAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000046027734 557024026 /nfs/dbraw/zinc/02/40/26/557024026.db2.gz UJUMBLBMVWENAZ-UHFFFAOYSA-N 0 0 429.586 3.546 50 0 IHAARN COc1cc2ncn(CCCC(=O)N[C@@H]3CCSc4ccccc43)c(=O)c2cc1OC ZINC000010758062 557024656 /nfs/dbraw/zinc/02/46/56/557024656.db2.gz BZYYFFFVHXQVDM-QGZVFWFLSA-N 0 0 439.537 3.547 50 0 IHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCCn1cnc2c(C)cccc2c1=O ZINC000010764167 557025202 /nfs/dbraw/zinc/02/52/02/557025202.db2.gz DJRVEPOPGCMOEF-UHFFFAOYSA-N 0 0 443.551 3.663 50 0 IHAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1OC ZINC000046044133 557025509 /nfs/dbraw/zinc/02/55/09/557025509.db2.gz GIONSPLRBBLOBR-QGZVFWFLSA-N 0 0 430.932 3.568 50 0 biogenic IHAARN Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Br)c1 ZINC000010782040 557027130 /nfs/dbraw/zinc/02/71/30/557027130.db2.gz DZGPABHEFDOUKU-UHFFFAOYSA-N 0 0 431.330 3.557 50 0 IHAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(C(=O)OC)cc1 ZINC000010794836 557027249 /nfs/dbraw/zinc/02/72/49/557027249.db2.gz VCCPPBPYGWWRMN-UHFFFAOYSA-N 0 0 429.450 3.989 50 0 IHAARN Cc1ccccc1N(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)S(C)(=O)=O ZINC000010810984 557028686 /nfs/dbraw/zinc/02/86/86/557028686.db2.gz MWUVZAJMCHRQAH-UHFFFAOYSA-N 0 0 432.929 3.991 50 0 IHAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000010812434 557029373 /nfs/dbraw/zinc/02/93/73/557029373.db2.gz OFIROHSEXZJQRC-OAHLLOKOSA-N 0 0 426.947 3.786 50 0 IHAARN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010811720 557029387 /nfs/dbraw/zinc/02/93/87/557029387.db2.gz PZGYOMBVSHBMHS-ZDUSSCGKSA-N 0 0 436.892 3.722 50 0 IHAARN COC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046058738 557029582 /nfs/dbraw/zinc/02/95/82/557029582.db2.gz LIFBYFSDLPYRLF-OAHLLOKOSA-N 0 0 432.567 3.800 50 0 IHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000046074601 557030566 /nfs/dbraw/zinc/03/05/66/557030566.db2.gz WSQCRVGBEPBPOZ-KRWDZBQOSA-N 0 0 434.521 3.689 50 0 IHAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 ZINC000046074806 557030967 /nfs/dbraw/zinc/03/09/67/557030967.db2.gz ZLFSYMWSBYTTGM-AWEZNQCLSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017178165 557031263 /nfs/dbraw/zinc/03/12/63/557031263.db2.gz ORCMUVVGDLLPGZ-UHFFFAOYSA-N 0 0 439.471 3.514 50 0 IHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074906 557031485 /nfs/dbraw/zinc/03/14/85/557031485.db2.gz ZZDXYBFDQRDPSO-INIZCTEOSA-N 0 0 434.521 3.744 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2C[C@@H]1C ZINC000009676659 557031705 /nfs/dbraw/zinc/03/17/05/557031705.db2.gz FYTDPAKKBYMDPG-ZDUSSCGKSA-N 0 0 437.359 3.962 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1 ZINC000046075258 557031940 /nfs/dbraw/zinc/03/19/40/557031940.db2.gz TZEZVCYTVIAUPE-HNNXBMFYSA-N 0 0 438.484 3.574 50 0 IHAARN O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)N[C@@H](CO)Cc1ccccc1 ZINC000098037172 557033312 /nfs/dbraw/zinc/03/33/12/557033312.db2.gz VFDRAKWXEWCQRT-OAQYLSRUSA-N 0 0 429.472 3.559 50 0 IHAARN Nc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)nn1S(=O)(=O)c1ccc(F)cc1 ZINC000017191956 557037251 /nfs/dbraw/zinc/03/72/51/557037251.db2.gz DUBFBEOJZHPTOB-UHFFFAOYSA-N 0 0 437.452 3.728 50 0 IHAARN CCCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccccc1)n(CC)c(=O)n2CC ZINC000046145869 557044413 /nfs/dbraw/zinc/04/44/13/557044413.db2.gz JVHMZSBZKXTWNP-UHFFFAOYSA-N 0 0 429.542 3.804 50 0 IHAARN C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCCC2 ZINC000017286967 557044882 /nfs/dbraw/zinc/04/48/82/557044882.db2.gz HIWVCMGEOYDKOA-QGZVFWFLSA-N 0 0 446.517 3.979 50 0 IHAARN Cc1cc(CN2CCN([C@@H](C)c3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)no1 ZINC000022919675 557046700 /nfs/dbraw/zinc/04/67/00/557046700.db2.gz GSYKMZLIWIJSGQ-INIZCTEOSA-N 0 0 435.553 3.827 50 0 IHAARN CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)c1 ZINC000048230620 557048748 /nfs/dbraw/zinc/04/87/48/557048748.db2.gz QFPIGHKERUFOAS-UHFFFAOYSA-N 0 0 442.628 3.556 50 0 IHAARN COc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000017303991 557051704 /nfs/dbraw/zinc/05/17/04/557051704.db2.gz ZLPFSNSDTGYYCK-UHFFFAOYSA-N 0 0 434.427 3.980 50 0 IHAARN Cc1ccc([C@H]2[C@@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C ZINC000048251016 557051878 /nfs/dbraw/zinc/05/18/78/557051878.db2.gz WDHUKSGVZAOITP-BJKOFHAPSA-N 0 0 426.532 3.886 50 0 IHAARN C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@H](C)O1 ZINC000048252541 557052197 /nfs/dbraw/zinc/05/21/97/557052197.db2.gz AOFZPKMJWZSDCW-KDURUIRLSA-N 0 0 434.544 3.604 50 0 IHAARN CC(C)(C)c1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000048290834 557055434 /nfs/dbraw/zinc/05/54/34/557055434.db2.gz XSQQENYVTCODAS-NRFANRHFSA-N 0 0 436.531 3.792 50 0 IHAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000010880730 557057072 /nfs/dbraw/zinc/05/70/72/557057072.db2.gz BDHPTRSIUHBKGF-UHFFFAOYSA-N 0 0 449.536 3.893 50 0 IHAARN CCOc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1OCC ZINC000017319741 557057943 /nfs/dbraw/zinc/05/79/43/557057943.db2.gz NABLGJCUHNMBJG-UHFFFAOYSA-N 0 0 447.294 3.889 50 0 IHAARN Cc1ccc(Cn2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1 ZINC000023022105 557058037 /nfs/dbraw/zinc/05/80/37/557058037.db2.gz COONSKOAEHEYJZ-UHFFFAOYSA-N 0 0 436.577 3.848 50 0 IHAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccccc2)cn3C2CC2)CC1 ZINC000051364276 557058129 /nfs/dbraw/zinc/05/81/29/557058129.db2.gz XADGEOBHMCRTKW-UHFFFAOYSA-N 0 0 449.526 3.974 50 0 IHAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000048285971 557058160 /nfs/dbraw/zinc/05/81/60/557058160.db2.gz WCOKMAPTKMYUEL-GFCCVEGCSA-N 0 0 445.162 3.862 50 0 IHAARN O=C1OCCN1CCCSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000048304316 557059173 /nfs/dbraw/zinc/05/91/73/557059173.db2.gz HAPNOIKEJGJBQS-UHFFFAOYSA-N 0 0 447.463 3.922 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CN(Cc2ccccc2)CC3)cc1 ZINC000033277336 557059285 /nfs/dbraw/zinc/05/92/85/557059285.db2.gz FCLMWNUDQBTLRE-UHFFFAOYSA-N 0 0 430.552 3.872 50 0 IHAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)NCCCc2ccccc2)c3=O)cc1 ZINC000033277717 557059581 /nfs/dbraw/zinc/05/95/81/557059581.db2.gz DRLUNJHQGVYUMZ-UHFFFAOYSA-N 0 0 430.508 3.753 50 0 IHAARN CCOc1ccc(CNC(=O)CCn2cnc3c(-c4ccc(CC)cc4)noc3c2=O)cc1 ZINC000033277778 557059817 /nfs/dbraw/zinc/05/98/17/557059817.db2.gz KHEGSGPRVPYZJG-UHFFFAOYSA-N 0 0 446.507 3.719 50 0 IHAARN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000048309978 557060174 /nfs/dbraw/zinc/06/01/74/557060174.db2.gz ADARYENVURAAQK-QFIPXVFZSA-N 0 0 433.508 3.635 50 0 IHAARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000048310261 557060546 /nfs/dbraw/zinc/06/05/46/557060546.db2.gz JBSYGMMFFQJWOJ-UHFFFAOYSA-N 0 0 436.487 3.853 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc(C)n2)c1C ZINC000082230463 557061515 /nfs/dbraw/zinc/06/15/15/557061515.db2.gz SJKCQQWMOVWQQF-UHFFFAOYSA-N 0 0 444.461 3.569 50 0 IHAARN CC(=O)NC1(c2noc(CCC(=O)NCCCSc3ccccc3)n2)CCCCCC1 ZINC000048299310 557061647 /nfs/dbraw/zinc/06/16/47/557061647.db2.gz SLDNRTFVKTWLIF-UHFFFAOYSA-N 0 0 444.601 3.986 50 0 IHAARN CCCCc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 ZINC000048299943 557061746 /nfs/dbraw/zinc/06/17/46/557061746.db2.gz MQTZTFLGFVXFEL-JOCHJYFZSA-N 0 0 436.531 3.837 50 0 IHAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4cccc5ccccc54)CC3)nc(C)n2)c1C ZINC000082230592 557061915 /nfs/dbraw/zinc/06/19/15/557061915.db2.gz MCMSAHYSAWPFQV-UHFFFAOYSA-N 0 0 426.524 3.703 50 0 IHAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2C1=O ZINC000017357727 557063447 /nfs/dbraw/zinc/06/34/47/557063447.db2.gz CTEFFODQIGOCOT-UHFFFAOYSA-N 0 0 439.515 3.754 50 0 IHAARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000048302543 557063604 /nfs/dbraw/zinc/06/36/04/557063604.db2.gz RABRVWBYVFLKCB-IBGZPJMESA-N 0 0 426.479 3.994 50 0 IHAARN C[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc21 ZINC000048324004 557064966 /nfs/dbraw/zinc/06/49/66/557064966.db2.gz WRVBZDRPIZVOMI-HNNXBMFYSA-N 0 0 432.351 3.729 50 0 IHAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)CC2=O)cc1 ZINC000033281790 557067427 /nfs/dbraw/zinc/06/74/27/557067427.db2.gz PBJBIHXOSQUYEO-IBGZPJMESA-N 0 0 446.507 3.504 50 0 IHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000048313524 557067554 /nfs/dbraw/zinc/06/75/54/557067554.db2.gz DCDDIYRYALKSPF-HXUWFJFHSA-N 0 0 427.526 3.666 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c(OC)c1 ZINC000033290503 557068918 /nfs/dbraw/zinc/06/89/18/557068918.db2.gz YSKWNAQJGOCTSG-QGZVFWFLSA-N 0 0 446.507 3.926 50 0 IHAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4OC)c3N)c(C)o2)cc1 ZINC000033291740 557069722 /nfs/dbraw/zinc/06/97/22/557069722.db2.gz OTJDLYDRUZSADM-UHFFFAOYSA-N 0 0 448.483 3.532 50 0 IHAARN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000048341465 557070974 /nfs/dbraw/zinc/07/09/74/557070974.db2.gz IUTALPROXDALAL-IBGZPJMESA-N 0 0 426.590 3.910 50 0 IHAARN COc1ccc(-c2csc(NC(=O)c3csc(-c4cnn(C)c4)n3)n2)c(OC)c1 ZINC000048343109 557071146 /nfs/dbraw/zinc/07/11/46/557071146.db2.gz HDFYMURORHHYKV-UHFFFAOYSA-N 0 0 427.511 3.937 50 0 IHAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000048345669 557071939 /nfs/dbraw/zinc/07/19/39/557071939.db2.gz ZSLJSPBNVDKMRO-SNVBAGLBSA-N 0 0 446.308 3.606 50 0 IHAARN O=C(Nc1cccc(-n2cnnn2)c1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000048356514 557073300 /nfs/dbraw/zinc/07/33/00/557073300.db2.gz AEUQCICIJQRJGR-UHFFFAOYSA-N 0 0 433.781 3.773 50 0 IHAARN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc21 ZINC000010889848 557075012 /nfs/dbraw/zinc/07/50/12/557075012.db2.gz UYWGVUHYODDDFH-KRWDZBQOSA-N 0 0 444.578 3.763 50 0 IHAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000023257520 557079922 /nfs/dbraw/zinc/07/99/22/557079922.db2.gz UXGDXHGLGMPBEO-BTYIYWSLSA-N 0 0 439.025 3.613 50 0 IHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)CC1CCCC1)CC2 ZINC000072280530 557082205 /nfs/dbraw/zinc/08/22/05/557082205.db2.gz WFTOXFVPHVZBQY-XMMPIXPASA-N 0 0 442.581 3.936 50 0 IHAARN C[C@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000011309539 557082492 /nfs/dbraw/zinc/08/24/92/557082492.db2.gz VANPONMSLNQVJH-MNOVXSKESA-N 0 0 428.543 3.591 50 0 IHAARN COc1cccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)cc4)ncn3)CC2)c1 ZINC000033301424 557083036 /nfs/dbraw/zinc/08/30/36/557083036.db2.gz JLMOTHMCXCBNBS-UHFFFAOYSA-N 0 0 449.580 3.851 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CC)c(=O)c32)cc1 ZINC000048989548 557083449 /nfs/dbraw/zinc/08/34/49/557083449.db2.gz ASVVTJCIMCNLTK-UHFFFAOYSA-N 0 0 444.491 3.700 50 0 IHAARN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023315434 557083847 /nfs/dbraw/zinc/08/38/47/557083847.db2.gz MRAWUGNWSIDRGK-IBGZPJMESA-N 0 0 442.943 3.630 50 0 IHAARN Cc1ccc(Cn2c(=O)c3sccc3nc2N2CCC(C(=O)NCC3CC3)CC2)cc1 ZINC000033302466 557083954 /nfs/dbraw/zinc/08/39/54/557083954.db2.gz SZVLZRULYVQVGL-UHFFFAOYSA-N 0 0 436.581 3.557 50 0 IHAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)NC2CCCCCCC2)c(=O)n3C(C)C)no1 ZINC000033306786 557084554 /nfs/dbraw/zinc/08/45/54/557084554.db2.gz GRMOCWAUWIGNHK-UHFFFAOYSA-N 0 0 425.533 3.971 50 0 IHAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756644 557084961 /nfs/dbraw/zinc/08/49/61/557084961.db2.gz QCFULWBMHFQTRJ-HYBUGGRVSA-N 0 0 438.524 3.819 50 0 IHAARN COc1cc(NC(=O)Cn2c3ccc(Cl)cc3c(=O)n2C(C)(C)C)cc(OC)c1OC ZINC000049007340 557085626 /nfs/dbraw/zinc/08/56/26/557085626.db2.gz OQMDEYMBQDCNNJ-UHFFFAOYSA-N 0 0 447.919 3.876 50 0 IHAARN O=C(CC[C@@H]1CCCN(C(=O)c2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000023339861 557086084 /nfs/dbraw/zinc/08/60/84/557086084.db2.gz LLXGJUOJDSUJFO-NRFANRHFSA-N 0 0 425.598 3.725 50 0 IHAARN Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)NCc1cccc(C)c1 ZINC000033308083 557087883 /nfs/dbraw/zinc/08/78/83/557087883.db2.gz QFDLWFOUJJEKNN-UHFFFAOYSA-N 0 0 433.537 3.733 50 0 IHAARN O=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCC2(CC1)OCCO2 ZINC000049032334 557089611 /nfs/dbraw/zinc/08/96/11/557089611.db2.gz NMUXGCNVZOBJLQ-UHFFFAOYSA-N 0 0 426.494 3.961 50 0 IHAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCCC1)NCc1cccc(Cl)c1 ZINC000033308770 557089802 /nfs/dbraw/zinc/08/98/02/557089802.db2.gz LBHKIJRUGPVNOP-UHFFFAOYSA-N 0 0 430.961 3.808 50 0 IHAARN CN(Cc1ccccc1N1CCOCC1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000023392438 557090184 /nfs/dbraw/zinc/09/01/84/557090184.db2.gz XRMWXYLGWBVPRS-UHFFFAOYSA-N 0 0 437.462 3.806 50 0 IHAARN CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1 ZINC000049002547 557090267 /nfs/dbraw/zinc/09/02/67/557090267.db2.gz GUJUGAASVCSUNI-UHFFFAOYSA-N 0 0 430.464 3.911 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000011328345 557091278 /nfs/dbraw/zinc/09/12/78/557091278.db2.gz PZDIARXKCAIKNN-UHFFFAOYSA-N 0 0 445.260 3.915 50 0 IHAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(F)c1 ZINC000023411345 557091355 /nfs/dbraw/zinc/09/13/55/557091355.db2.gz IGOLCCRARKJPBP-NRFANRHFSA-N 0 0 429.455 3.996 50 0 IHAARN CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)C1 ZINC000033310237 557093580 /nfs/dbraw/zinc/09/35/80/557093580.db2.gz IJXWAILWAGVESK-INIZCTEOSA-N 0 0 439.516 3.719 50 0 IHAARN O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccc(Cl)cc1 ZINC000049406215 557095090 /nfs/dbraw/zinc/09/50/90/557095090.db2.gz LRKVYFWNSFMNMP-UHFFFAOYSA-N 0 0 444.322 3.609 50 0 IHAARN COc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2Cc1ccccc1Cl ZINC000033311855 557095286 /nfs/dbraw/zinc/09/52/86/557095286.db2.gz ZQXGPTNOZVZBPZ-UHFFFAOYSA-N 0 0 435.871 3.801 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033311393 557095490 /nfs/dbraw/zinc/09/54/90/557095490.db2.gz YQALLXAXIUCHHW-OAQYLSRUSA-N 0 0 436.552 3.791 50 0 IHAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)ncn2)c1 ZINC000049402022 557097338 /nfs/dbraw/zinc/09/73/38/557097338.db2.gz VHUREYKDJKUHEQ-IBGZPJMESA-N 0 0 426.586 3.756 50 0 IHAARN Cc1ccc2c(c1)N(Cc1cccc(F)c1)N=C(C(=O)N1CCCCCC1)S2(=O)=O ZINC000049402725 557098235 /nfs/dbraw/zinc/09/82/35/557098235.db2.gz NFRIEKWTHPXEPH-UHFFFAOYSA-N 0 0 429.517 3.644 50 0 IHAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCC(C)CC2)CC1=O ZINC000033317560 557099346 /nfs/dbraw/zinc/09/93/46/557099346.db2.gz AKGWTBREYBAVKG-LJQANCHMSA-N 0 0 446.551 3.824 50 0 IHAARN CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000049406028 557101278 /nfs/dbraw/zinc/10/12/78/557101278.db2.gz IVVJSPVESNKHHA-UHFFFAOYSA-N 0 0 449.530 3.739 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000023627030 557101534 /nfs/dbraw/zinc/10/15/34/557101534.db2.gz HENIDIUTLZBLGZ-UHFFFAOYSA-N 0 0 445.317 3.529 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621401 557102876 /nfs/dbraw/zinc/10/28/76/557102876.db2.gz IWSOJLFJRAKDAT-HXUWFJFHSA-N 0 0 439.556 3.674 50 0 IHAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c(C)c1C(=O)OC(C)C ZINC000085621427 557102942 /nfs/dbraw/zinc/10/29/42/557102942.db2.gz PVNOYCFYFIVMGY-PXNSSMCTSA-N 0 0 439.556 3.926 50 0 IHAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000049408390 557103065 /nfs/dbraw/zinc/10/30/65/557103065.db2.gz ZWAXSMLAIOGPSY-UHFFFAOYSA-N 0 0 442.884 3.507 50 0 IHAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000049408572 557103334 /nfs/dbraw/zinc/10/33/34/557103334.db2.gz YAYUUGGLNAMAST-UHFFFAOYSA-N 0 0 436.390 3.681 50 0 IHAARN CC(C)(C)C1CCC(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000011342738 557103518 /nfs/dbraw/zinc/10/35/18/557103518.db2.gz VNVDSLGZQFLYGT-AFMYVXGZSA-N 0 0 435.586 3.602 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C ZINC000017659118 557105573 /nfs/dbraw/zinc/10/55/73/557105573.db2.gz GBTVKWVBUHTWBF-WFASDCNBSA-N 0 0 443.481 3.677 50 0 IHAARN Cc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1C ZINC000049411510 557106626 /nfs/dbraw/zinc/10/66/26/557106626.db2.gz KWQOCBMXZVLWFQ-UHFFFAOYSA-N 0 0 440.500 3.576 50 0 IHAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325698 557107819 /nfs/dbraw/zinc/10/78/19/557107819.db2.gz QYDNZJQGHLICBN-IBGZPJMESA-N 0 0 441.528 3.596 50 0 IHAARN C[C@@H]1C[C@H](C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)C1 ZINC000049421539 557108085 /nfs/dbraw/zinc/10/80/85/557108085.db2.gz JXJWNUYMBBNJTQ-IYBDPMFKSA-N 0 0 428.529 3.993 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 ZINC000585148045 557108656 /nfs/dbraw/zinc/10/86/56/557108656.db2.gz MWGASTNMILSNNZ-ZDUSSCGKSA-N 0 0 436.942 3.927 50 0 IHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN(C)CCOc1ccc(Br)cc1 ZINC000049574107 557113832 /nfs/dbraw/zinc/11/38/32/557113832.db2.gz PLXZUNXOPCPRCZ-UHFFFAOYSA-N 0 0 449.345 3.537 50 0 IHAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cncc(Br)c1 ZINC000049524329 557114473 /nfs/dbraw/zinc/11/44/73/557114473.db2.gz MUCFGKLCALFYEK-INIZCTEOSA-N 0 0 430.302 3.874 50 0 IHAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(Cn2ccnc2)cc1 ZINC000049524333 557114524 /nfs/dbraw/zinc/11/45/24/557114524.db2.gz LJIIUJSPBOOVLY-NRFANRHFSA-N 0 0 430.508 3.961 50 0 IHAARN CCc1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C(C)C)cc1 ZINC000023767363 557115383 /nfs/dbraw/zinc/11/53/83/557115383.db2.gz CRXAXCPJUQFPJL-GOSISDBHSA-N 0 0 439.375 3.786 50 0 IHAARN O=C(c1ccccc1Cl)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000023795818 557116395 /nfs/dbraw/zinc/11/63/95/557116395.db2.gz UXSCTADTXVSRNM-UHFFFAOYSA-N 0 0 425.685 3.840 50 0 IHAARN COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000001133516 557119283 /nfs/dbraw/zinc/11/92/83/557119283.db2.gz VGZUJZOVKVKCKI-UHFFFAOYSA-N 0 0 444.484 3.677 50 0 IHAARN CCCOc1c(Br)cc(C(=O)N2CCCc3cc(C(N)=O)ccc32)cc1OC ZINC000095941675 557122683 /nfs/dbraw/zinc/12/26/83/557122683.db2.gz CMOVVKLIEQODCV-UHFFFAOYSA-N 0 0 447.329 3.938 50 0 IHAARN COc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1 ZINC000023883024 557123386 /nfs/dbraw/zinc/12/33/86/557123386.db2.gz LXXHOHFBBJLLRT-VWLOTQADSA-N 0 0 433.552 3.592 50 0 IHAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000023247712 557124409 /nfs/dbraw/zinc/12/44/09/557124409.db2.gz YXENYMQLCKITOR-HXUWFJFHSA-N 0 0 436.600 3.603 50 0 IHAARN CCCC[C@H](CC)CNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(OC)cc1)c2=O ZINC000004791493 557124459 /nfs/dbraw/zinc/12/44/59/557124459.db2.gz NVDXIALPFYFQHO-KRWDZBQOSA-N 0 0 437.540 3.693 50 0 IHAARN CCCC[C@@H](CC)CNC(=O)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(OC)cc1)c2=O ZINC000004791490 557124479 /nfs/dbraw/zinc/12/44/79/557124479.db2.gz NVDXIALPFYFQHO-QGZVFWFLSA-N 0 0 437.540 3.693 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3coc(-c4cccs4)n3)CC2)c(C)c1 ZINC000023909271 557125485 /nfs/dbraw/zinc/12/54/85/557125485.db2.gz KUGPEIKTXOXEOX-UHFFFAOYSA-N 0 0 431.583 3.835 50 0 IHAARN COc1ccc([C@@H](CNC(=O)c2csc(-c3ccsc3)n2)N2CCOCC2)cc1 ZINC000023935325 557126287 /nfs/dbraw/zinc/12/62/87/557126287.db2.gz DDGHIAXNNVWOQU-LJQANCHMSA-N 0 0 429.567 3.684 50 0 IHAARN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017859388 557126535 /nfs/dbraw/zinc/12/65/35/557126535.db2.gz IYRVNKAGCDPRBN-ZRBLBEILSA-N 0 0 445.450 3.835 50 0 IHAARN Cc1nc(COc2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cs1 ZINC000023989948 557130228 /nfs/dbraw/zinc/13/02/28/557130228.db2.gz CEQOGGRWHHAZDY-UHFFFAOYSA-N 0 0 449.576 3.923 50 0 IHAARN O=C(CSc1ncnc2sccc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023995591 557131106 /nfs/dbraw/zinc/13/11/06/557131106.db2.gz JAHUUNQUBDVXLE-UHFFFAOYSA-N 0 0 425.004 3.843 50 0 IHAARN Cn1c2nc(Oc3ccccc3Cl)n(Cc3ccc(F)cc3Cl)c2c(=O)n(C)c1=O ZINC000000666997 557132269 /nfs/dbraw/zinc/13/22/69/557132269.db2.gz GYTFHYRPMNUSAT-UHFFFAOYSA-N 0 0 449.269 3.720 50 0 IHAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000674064 557133387 /nfs/dbraw/zinc/13/33/87/557133387.db2.gz JMNXXKIBCKQRND-UHFFFAOYSA-N 0 0 434.447 3.757 50 0 IHAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000017967591 557134093 /nfs/dbraw/zinc/13/40/93/557134093.db2.gz ANGLLMQXUZNGGH-UHFFFAOYSA-N 0 0 427.353 3.978 50 0 IHAARN CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000024776670 557137913 /nfs/dbraw/zinc/13/79/13/557137913.db2.gz ITCLMJNXGYYVCY-UHFFFAOYSA-N 0 0 439.947 3.709 50 0 IHAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024778370 557138235 /nfs/dbraw/zinc/13/82/35/557138235.db2.gz QGQHIXGWRKXTLG-UHFFFAOYSA-N 0 0 442.880 3.620 50 0 IHAARN Cc1cccc(-n2c(SCCS(=O)(=O)c3ccccc3)nc3ccccc3c2=O)n1 ZINC000011396400 557139728 /nfs/dbraw/zinc/13/97/28/557139728.db2.gz RSFVVUICPOGSSA-UHFFFAOYSA-N 0 0 437.546 3.655 50 0 IHAARN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000024193005 557140468 /nfs/dbraw/zinc/14/04/68/557140468.db2.gz KOYSGYVSBDTDKX-IBGZPJMESA-N 0 0 448.972 3.727 50 0 IHAARN CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000091350963 557141297 /nfs/dbraw/zinc/14/12/97/557141297.db2.gz CDWBXUFFJAIQEH-DEOSSOPVSA-N 0 0 427.548 3.750 50 0 IHAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)nc1C ZINC000011402625 557142314 /nfs/dbraw/zinc/14/23/14/557142314.db2.gz LNJXRYVUCSWMBN-UHFFFAOYSA-N 0 0 431.543 3.637 50 0 IHAARN Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1NC(=O)c1ccco1 ZINC000024300531 557143533 /nfs/dbraw/zinc/14/35/33/557143533.db2.gz GISNQKHPHLRVIW-UHFFFAOYSA-N 0 0 445.519 3.733 50 0 IHAARN CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)S(=O)(=O)c1cccs1 ZINC000024442172 557147009 /nfs/dbraw/zinc/14/70/09/557147009.db2.gz HWJLDRUVKGLIDS-UHFFFAOYSA-N 0 0 432.489 3.579 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCc3ccnc(N4CCCC4)c3)CCCC2)c1 ZINC000024442224 557147077 /nfs/dbraw/zinc/14/70/77/557147077.db2.gz RZCKWRYXDWKUIK-UHFFFAOYSA-N 0 0 441.597 3.702 50 0 IHAARN COc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc(Cl)c1OCC(N)=O ZINC000024472726 557148158 /nfs/dbraw/zinc/14/81/58/557148158.db2.gz OBUHBKFSQRIDJJ-UHFFFAOYSA-N 0 0 442.821 3.825 50 0 IHAARN CC(=O)N(c1nc(COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cs1)c1cccc(C)c1 ZINC000024488316 557148497 /nfs/dbraw/zinc/14/84/97/557148497.db2.gz UJKKKUZQHHPIDW-UHFFFAOYSA-N 0 0 449.488 3.719 50 0 IHAARN COc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)cn1 ZINC000024528640 557150386 /nfs/dbraw/zinc/15/03/86/557150386.db2.gz VXFGWLZWZDHSTN-OAHLLOKOSA-N 0 0 439.585 3.664 50 0 IHAARN O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000011455822 557150747 /nfs/dbraw/zinc/15/07/47/557150747.db2.gz BXEIIPHNKHSVEY-UHFFFAOYSA-N 0 0 449.397 3.914 50 0 IHAARN CCOC(=O)C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)c1cccc(Br)c1 ZINC000072289694 557151566 /nfs/dbraw/zinc/15/15/66/557151566.db2.gz YMGOWFVOAGEOTC-INIZCTEOSA-N 0 0 435.274 3.791 50 0 IHAARN Cc1ccc2oc(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)cc(=O)c2c1 ZINC000024601235 557152491 /nfs/dbraw/zinc/15/24/91/557152491.db2.gz ZGPLAFAATQHIPJ-UHFFFAOYSA-N 0 0 447.354 3.883 50 0 IHAARN COc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc(OC)c1OC(C)=O ZINC000000726908 557152752 /nfs/dbraw/zinc/15/27/52/557152752.db2.gz WIIHJZXGPFGVGT-NVNXTCNLSA-N 0 0 446.253 3.736 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1)C1CC1 ZINC000024601801 557152873 /nfs/dbraw/zinc/15/28/73/557152873.db2.gz XYTCSPYURRWVMW-UHFFFAOYSA-N 0 0 448.386 3.817 50 0 IHAARN O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000043957278 557154107 /nfs/dbraw/zinc/15/41/07/557154107.db2.gz KXKSNKYQOHFAHY-UHFFFAOYSA-N 0 0 442.459 3.895 50 0 IHAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC000024624592 557156440 /nfs/dbraw/zinc/15/64/40/557156440.db2.gz FOUVEIMSCYBBCN-UHFFFAOYSA-N 0 0 449.514 3.869 50 0 IHAARN Cc1nn(C)c(C)c1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000010952302 557157363 /nfs/dbraw/zinc/15/73/63/557157363.db2.gz KBHNIBFVWLRSPY-GOSISDBHSA-N 0 0 440.887 3.818 50 0 IHAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)o1 ZINC000010954938 557157697 /nfs/dbraw/zinc/15/76/97/557157697.db2.gz ZJERFRSTGPBPQH-LHSJRXKWSA-N 0 0 433.420 3.972 50 0 IHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000011528214 557159913 /nfs/dbraw/zinc/15/99/13/557159913.db2.gz UNGSLDMKAJVONW-UHFFFAOYSA-N 0 0 430.867 3.601 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004816155 557160317 /nfs/dbraw/zinc/16/03/17/557160317.db2.gz HDEGFTGIXYLFDK-FUHWJXTLSA-N 0 0 429.590 3.575 50 0 IHAARN O=C(COC(=O)CSc1cccc2cccc(Cl)c21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000024746846 557161450 /nfs/dbraw/zinc/16/14/50/557161450.db2.gz PCDYUFWECVEAMR-UHFFFAOYSA-N 0 0 441.896 3.937 50 0 IHAARN COc1cc(Br)c(OC)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 ZINC000024841938 557167998 /nfs/dbraw/zinc/16/79/98/557167998.db2.gz ZJYNEZBRYIKVCF-UHFFFAOYSA-N 0 0 444.289 3.707 50 0 IHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000024791694 557168015 /nfs/dbraw/zinc/16/80/15/557168015.db2.gz MQJKVICBYQTVQB-JKSUJKDBSA-N 0 0 430.526 3.634 50 0 IHAARN CC(C)c1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)n2)cc1 ZINC000024831793 557170562 /nfs/dbraw/zinc/17/05/62/557170562.db2.gz MQXVQMTVYCNFPB-UHFFFAOYSA-N 0 0 448.556 3.621 50 0 IHAARN COc1ccc(-c2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)sc2C)cc1 ZINC000024834166 557171602 /nfs/dbraw/zinc/17/16/02/557171602.db2.gz QTKKVFANPDQFLV-GFCCVEGCSA-N 0 0 449.529 3.572 50 0 IHAARN COc1cc(OC)cc(-c2nnc(SCCCN3C(=O)c4ccccc4C3=O)o2)c1 ZINC000024845193 557174205 /nfs/dbraw/zinc/17/42/05/557174205.db2.gz LOBMDOFEMNJCSB-UHFFFAOYSA-N 0 0 425.466 3.532 50 0 IHAARN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)CC2=O)cc1 ZINC000024897041 557177709 /nfs/dbraw/zinc/17/77/09/557177709.db2.gz IKWZJVZGUSTKTP-GOSISDBHSA-N 0 0 444.491 3.724 50 0 IHAARN Cc1noc(C)c1CCC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024920087 557178691 /nfs/dbraw/zinc/17/86/91/557178691.db2.gz SXTYIPFEAZREBJ-UHFFFAOYSA-N 0 0 428.533 3.831 50 0 IHAARN CCOc1ncccc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024921377 557179019 /nfs/dbraw/zinc/17/90/19/557179019.db2.gz DHZDWYLEYQISLC-UHFFFAOYSA-N 0 0 426.517 3.701 50 0 IHAARN O=C(Nc1nnc(-c2ccco2)s1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000024927993 557180361 /nfs/dbraw/zinc/18/03/61/557180361.db2.gz MOOFGDOTYWOUAI-JTQLQIEISA-N 0 0 433.287 3.552 50 0 IHAARN O=C(c1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)N1CCCC1 ZINC000024933517 557181117 /nfs/dbraw/zinc/18/11/17/557181117.db2.gz KEXCKUWVTCCPCE-UHFFFAOYSA-N 0 0 445.610 3.785 50 0 IHAARN COc1cccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(SC)cc3)C2=O)c1 ZINC000097986178 557182673 /nfs/dbraw/zinc/18/26/73/557182673.db2.gz RXWZWZLLSXJDRC-CPNJWEJPSA-N 0 0 442.562 3.812 50 0 IHAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000024968844 557183355 /nfs/dbraw/zinc/18/33/55/557183355.db2.gz FSSABOCVNKPYTB-UHFFFAOYSA-N 0 0 429.524 3.513 50 0 IHAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1OC ZINC000009289927 557183551 /nfs/dbraw/zinc/18/35/51/557183551.db2.gz UHTVDGNYKAYAFD-GFCCVEGCSA-N 0 0 433.559 3.692 50 0 IHAARN COc1ccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000096211271 557183678 /nfs/dbraw/zinc/18/36/78/557183678.db2.gz HZCDWGQJJUKWEK-BJKOFHAPSA-N 0 0 449.595 3.550 50 0 IHAARN CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009263030 557184621 /nfs/dbraw/zinc/18/46/21/557184621.db2.gz FFRBCFOXXIHEPG-UHFFFAOYSA-N 0 0 428.489 3.602 50 0 IHAARN CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000009263553 557184926 /nfs/dbraw/zinc/18/49/26/557184926.db2.gz ZUOHDVIAJMRBPY-UHFFFAOYSA-N 0 0 434.468 3.895 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009263709 557184953 /nfs/dbraw/zinc/18/49/53/557184953.db2.gz YIWVCPUWVHREJQ-UHFFFAOYSA-N 0 0 449.580 3.777 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(C)c3n2C)cc1 ZINC000100821276 557187832 /nfs/dbraw/zinc/18/78/32/557187832.db2.gz UCKNUYBOERWXDS-DQRAZIAOSA-N 0 0 431.583 3.710 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Cl)cc(Cl)c3n2C)cc1 ZINC000100823860 557188880 /nfs/dbraw/zinc/18/88/80/557188880.db2.gz WJTKOSSPHFRLAZ-JZJYNLBNSA-N 0 0 444.365 3.538 50 0 IHAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cccc(O)c1 ZINC000009426862 557188953 /nfs/dbraw/zinc/18/89/53/557188953.db2.gz ZWVVNKDMELQUIE-UHFFFAOYSA-N 0 0 439.541 3.532 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)o2)c1 ZINC000025012422 557189322 /nfs/dbraw/zinc/18/93/22/557189322.db2.gz BMZPQXUTGIHDCV-UHFFFAOYSA-N 0 0 425.938 3.816 50 0 IHAARN COc1ccc(CNC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC ZINC000025065313 557193912 /nfs/dbraw/zinc/19/39/12/557193912.db2.gz QFHBHXXTXASZOA-AWEZNQCLSA-N 0 0 431.920 3.601 50 0 IHAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025153583 557197302 /nfs/dbraw/zinc/19/73/02/557197302.db2.gz YNSSKMMLRLLOAJ-KRWDZBQOSA-N 0 0 445.519 3.928 50 0 IHAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)COc1ccc(Cl)cc1Cl ZINC000100876291 557197619 /nfs/dbraw/zinc/19/76/19/557197619.db2.gz VCCIZSZXTLANRP-UZYVYHOESA-N 0 0 425.293 3.689 50 0 IHAARN O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000100880453 557198203 /nfs/dbraw/zinc/19/82/03/557198203.db2.gz RYWKVBRCRCUFRT-HIFRSBDPSA-N 0 0 439.187 3.760 50 0 IHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3c(CC)cccc3CC)c(=O)c2c1C ZINC000000791145 557198639 /nfs/dbraw/zinc/19/86/39/557198639.db2.gz VZENPYNAZFYYLF-UHFFFAOYSA-N 0 0 427.526 3.707 50 0 IHAARN COc1ccccc1NC(=O)c1sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c2c1C ZINC000000791237 557198942 /nfs/dbraw/zinc/19/89/42/557198942.db2.gz XTAJMAZGUAYSHC-CYBMUJFWSA-N 0 0 429.498 3.540 50 0 IHAARN Cc1ccc(N2C(=O)C[C@H](N3O[C@@](O)(c4ccccc4)C[C@H]3c3ccccc3)C2=O)cc1 ZINC000100899127 557199272 /nfs/dbraw/zinc/19/92/72/557199272.db2.gz MCNZCLWFSJUCRG-JCYRPKCISA-N 0 0 428.488 3.851 50 0 IHAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000025238970 557200876 /nfs/dbraw/zinc/20/08/76/557200876.db2.gz OOSYNHOPFVVDAR-UHFFFAOYSA-N 0 0 428.485 3.706 50 0 IHAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000025291461 557203251 /nfs/dbraw/zinc/20/32/51/557203251.db2.gz BWDWAJPGRBKVTD-UHFFFAOYSA-N 0 0 435.911 3.733 50 0 IHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)NCC3CC3)=CSC2=N1 ZINC000100944445 557203375 /nfs/dbraw/zinc/20/33/75/557203375.db2.gz WLYGHPXQUHHAAU-NRFANRHFSA-N 0 0 441.553 3.750 50 0 IHAARN CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@H]1c1cccs1 ZINC000024901052 557207887 /nfs/dbraw/zinc/20/78/87/557207887.db2.gz PCFCDBCPXVNKDM-LBPRGKRZSA-N 0 0 442.613 3.675 50 0 IHAARN O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011613665 557209942 /nfs/dbraw/zinc/20/99/42/557209942.db2.gz AHTZYSWNOGZQMR-UHFFFAOYSA-N 0 0 430.457 3.622 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000025466300 557211401 /nfs/dbraw/zinc/21/14/01/557211401.db2.gz XRBPZTFUJIEHBI-DEOSSOPVSA-N 0 0 432.545 3.973 50 0 IHAARN CN(Cc1c(F)cccc1Cl)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=S ZINC000025469930 557211885 /nfs/dbraw/zinc/21/18/85/557211885.db2.gz LBQXGBAYYIZGIE-UHFFFAOYSA-N 0 0 429.970 3.884 50 0 IHAARN Cc1ccccc1CC(=O)N1CCc2c(sc3[nH]c(=O)n(C4CCCCC4)c(=O)c32)C1 ZINC000023309850 557212016 /nfs/dbraw/zinc/21/20/16/557212016.db2.gz MKAKOFHYEZEATF-UHFFFAOYSA-N 0 0 437.565 3.692 50 0 IHAARN O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000025494280 557212136 /nfs/dbraw/zinc/21/21/36/557212136.db2.gz OZHVEMWBCUEIKC-MRXNPFEDSA-N 0 0 436.249 3.661 50 0 IHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC)s2)cc1 ZINC000011617392 557213043 /nfs/dbraw/zinc/21/30/43/557213043.db2.gz USTOMXPEBOFZHI-UHFFFAOYSA-N 0 0 428.605 3.713 50 0 IHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nc1)c1ccco1 ZINC000023317547 557216335 /nfs/dbraw/zinc/21/63/35/557216335.db2.gz XMTQUBHCMASTIP-UHFFFAOYSA-N 0 0 428.851 3.682 50 0 IHAARN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000025644822 557220340 /nfs/dbraw/zinc/22/03/40/557220340.db2.gz FSTJESULBGCCSD-UHFFFAOYSA-N 0 0 426.538 3.580 50 0 IHAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000010996398 557220979 /nfs/dbraw/zinc/22/09/79/557220979.db2.gz BNTTWKDDPVKSFO-UHFFFAOYSA-N 0 0 435.484 3.846 50 0 IHAARN Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4cccs4)CC3)cs2)cc1 ZINC000025686593 557222005 /nfs/dbraw/zinc/22/20/05/557222005.db2.gz ATRNLKRZWOTQGR-UHFFFAOYSA-N 0 0 434.612 3.763 50 0 IHAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000032949310 557222335 /nfs/dbraw/zinc/22/23/35/557222335.db2.gz UBDXGYSPCDMDEZ-QFIPXVFZSA-N 0 0 446.503 3.966 50 0 IHAARN COc1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1F ZINC000025720629 557223646 /nfs/dbraw/zinc/22/36/46/557223646.db2.gz OXSIXPCNXQNEOR-UHFFFAOYSA-N 0 0 443.544 3.559 50 0 IHAARN Cc1cc(=O)n2nc(CSc3nc4ccc(Cl)cc4c(=O)n3CC(C)C)sc2n1 ZINC000025726235 557223651 /nfs/dbraw/zinc/22/36/51/557223651.db2.gz ZDTTVWYSAQILFL-UHFFFAOYSA-N 0 0 447.973 3.771 50 0 IHAARN O=S(=O)(NCCn1c(CCc2ccccc2)nc2cccnc21)c1ccc(Cl)cc1 ZINC000032949702 557228683 /nfs/dbraw/zinc/22/86/83/557228683.db2.gz QDIIKMJNLSLVQO-UHFFFAOYSA-N 0 0 440.956 3.848 50 0 IHAARN COc1ccc(OC)c(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)c1 ZINC000000809742 557228906 /nfs/dbraw/zinc/22/89/06/557228906.db2.gz WCJZSQLDOJOBAH-UHFFFAOYSA-N 0 0 432.476 3.934 50 0 IHAARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000011480252 557229369 /nfs/dbraw/zinc/22/93/69/557229369.db2.gz MNJYXTFTFRNSOD-QGZVFWFLSA-N 0 0 447.491 3.767 50 0 IHAARN C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C ZINC000025944873 557230615 /nfs/dbraw/zinc/23/06/15/557230615.db2.gz IFACDECLFLQXPL-IAGOWNOFSA-N 0 0 437.569 3.978 50 0 IHAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1C ZINC000011696301 557233117 /nfs/dbraw/zinc/23/31/17/557233117.db2.gz OXQYBMXXRDYYAU-UHFFFAOYSA-N 0 0 441.534 3.849 50 0 IHAARN C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 ZINC000026069447 557233724 /nfs/dbraw/zinc/23/37/24/557233724.db2.gz CWVHQSWFGOWVMF-RDPSFJRHSA-N 0 0 432.549 3.610 50 0 IHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000026092630 557234249 /nfs/dbraw/zinc/23/42/49/557234249.db2.gz VHVLDOKSQKZODL-UHFFFAOYSA-N 0 0 431.540 3.643 50 0 IHAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026121734 557235188 /nfs/dbraw/zinc/23/51/88/557235188.db2.gz ILWJDQDDWZKTMB-UHFFFAOYSA-N 0 0 428.920 3.559 50 0 IHAARN O=C(Cc1ccccc1Br)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098211783 557235529 /nfs/dbraw/zinc/23/55/29/557235529.db2.gz GXXBWNCXNBQTNP-UHFFFAOYSA-N 0 0 443.320 3.870 50 0 IHAARN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 ZINC000018083868 557235630 /nfs/dbraw/zinc/23/56/30/557235630.db2.gz ZDRCBZPAAYSZIP-INIZCTEOSA-N 0 0 448.548 3.942 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1 ZINC000032950554 557236396 /nfs/dbraw/zinc/23/63/96/557236396.db2.gz FBLWJWLHVSOVQB-UHFFFAOYSA-N 0 0 428.558 3.664 50 0 IHAARN Cc1cc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)n1C(C)C ZINC000032950483 557236850 /nfs/dbraw/zinc/23/68/50/557236850.db2.gz WUEUESOYXWJQOH-UHFFFAOYSA-N 0 0 426.922 3.538 50 0 IHAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000026263501 557238292 /nfs/dbraw/zinc/23/82/92/557238292.db2.gz LVAICZKMWHPGRN-UHFFFAOYSA-N 0 0 439.493 3.552 50 0 IHAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000026461404 557241883 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O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000026798154 557249181 /nfs/dbraw/zinc/24/91/81/557249181.db2.gz HCGKHHMJKGLFRK-UHFFFAOYSA-N 0 0 429.476 3.936 50 0 IHAARN O=S(=O)(c1ccc2c(c1)CCN2Cc1nccn1Cc1ccccc1)N1CCCCC1 ZINC000026909601 557250919 /nfs/dbraw/zinc/25/09/19/557250919.db2.gz SRQMJXFWCHBVNV-UHFFFAOYSA-N 0 0 436.581 3.669 50 0 IHAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCC(=O)NC1CCCC1 ZINC000032952582 557251304 /nfs/dbraw/zinc/25/13/04/557251304.db2.gz ZARXMFUBGHIVJM-UHFFFAOYSA-N 0 0 432.596 3.666 50 0 IHAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cccc2cccnc21 ZINC000604419671 557251949 /nfs/dbraw/zinc/25/19/49/557251949.db2.gz RKCOQEGUUXYPKX-DEOSSOPVSA-N 0 0 434.455 3.988 50 0 IHAARN Cc1ccc(C2=C(NC(=O)c3ccc(Cl)cc3)SC3=NC(=O)C(C)(C)NN32)cc1 ZINC000026963912 557252856 /nfs/dbraw/zinc/25/28/56/557252856.db2.gz XAIARTOEWGBOPY-UHFFFAOYSA-N 0 0 426.929 3.933 50 0 IHAARN O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100271371 557256178 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C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000102253928 557316520 /nfs/dbraw/zinc/31/65/20/557316520.db2.gz DKTDSSVMVIQESN-IXDOHACOSA-N 0 0 442.025 3.820 50 0 IHAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C=Cc4ccccn4)c3)C2=O)cc1 ZINC000032976409 557319987 /nfs/dbraw/zinc/31/99/87/557319987.db2.gz SMHSUPNBBNKCDL-XZXPPUMWSA-N 0 0 440.503 3.966 50 0 IHAARN CCCc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)s1 ZINC000033022707 557321220 /nfs/dbraw/zinc/32/12/20/557321220.db2.gz RLUHUFQTARTYRN-UHFFFAOYSA-N 0 0 435.553 3.705 50 0 IHAARN Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc32)c(C)c1 ZINC000014228007 557326737 /nfs/dbraw/zinc/32/67/37/557326737.db2.gz BXWIXRTXEMKGPZ-LJQANCHMSA-N 0 0 431.536 3.567 50 0 IHAARN Cc1nn(C)c2c1ccnc2N1CCC[C@@H](C(=O)NCc2cccc(Br)c2)C1 ZINC000033173327 557327159 /nfs/dbraw/zinc/32/71/59/557327159.db2.gz ZPFVAOGXEHWSTN-MRXNPFEDSA-N 0 0 442.361 3.572 50 0 IHAARN Cc1cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)no2)no1 ZINC000033270908 557328628 /nfs/dbraw/zinc/32/86/28/557328628.db2.gz NALJGHWMPNMLJT-UHFFFAOYSA-N 0 0 445.892 3.668 50 0 IHAARN O=C(Cn1nc2c(Sc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1 ZINC000033262553 557330148 /nfs/dbraw/zinc/33/01/48/557330148.db2.gz GPCLIGXQLFJGQB-UHFFFAOYSA-N 0 0 445.479 3.973 50 0 IHAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)N[C@@H](C)CCc2ccccc2)c3=O)cc1 ZINC000033300057 557330999 /nfs/dbraw/zinc/33/09/99/557330999.db2.gz XNFBEWYBLGLUHR-KRWDZBQOSA-N 0 0 432.549 3.966 50 0 IHAARN Cc1cc(C)cc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)c1 ZINC000033300829 557331054 /nfs/dbraw/zinc/33/10/54/557331054.db2.gz HMRTVQYTJOZGKQ-UHFFFAOYSA-N 0 0 439.570 3.682 50 0 IHAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000102529252 557340216 /nfs/dbraw/zinc/34/02/16/557340216.db2.gz HEIPELUEKPAXKJ-UHFFFAOYSA-N 0 0 427.460 3.954 50 0 IHAARN C[C@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000011683094 557365816 /nfs/dbraw/zinc/36/58/16/557365816.db2.gz ZDLHBKGZGXGALN-JTQLQIEISA-N 0 0 426.483 3.726 50 0 IHAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1sc(-c2ccccc2)nc1C ZINC000023893076 557378825 /nfs/dbraw/zinc/37/88/25/557378825.db2.gz MLJJICOZCZFMEQ-UHFFFAOYSA-N 0 0 436.537 3.708 50 0 IHAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000024012997 557390932 /nfs/dbraw/zinc/39/09/32/557390932.db2.gz KAZCHHAKHBKRKO-UHFFFAOYSA-N 0 0 442.928 3.908 50 0 IHAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccc(F)cc1F ZINC000011693928 557391902 /nfs/dbraw/zinc/39/19/02/557391902.db2.gz UNQFZZCDWPALIZ-UHFFFAOYSA-N 0 0 429.814 3.532 50 0 IHAARN COc1ccc(NC(=O)Nc2snnc2C(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000033436152 557397630 /nfs/dbraw/zinc/39/76/30/557397630.db2.gz MGQBFKQMRABGOE-KRWDZBQOSA-N 0 0 438.513 3.953 50 0 IHAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1c(F)cccc1F ZINC000013956593 557398572 /nfs/dbraw/zinc/39/85/72/557398572.db2.gz ORDPXEVOXACXGI-UHFFFAOYSA-N 0 0 445.495 3.797 50 0 IHAARN CCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000004920595 557408831 /nfs/dbraw/zinc/40/88/31/557408831.db2.gz MZDCEOBMOXPKAG-GOSISDBHSA-N 0 0 433.593 3.841 50 0 IHAARN COc1ccc(CC(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C(C)C)cc1 ZINC000004943593 557413054 /nfs/dbraw/zinc/41/30/54/557413054.db2.gz BYLCWUWRXHOQDY-UHFFFAOYSA-N 0 0 425.485 3.742 50 0 IHAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@@H]2C=Cc3ccc4cccnc4c3N21 ZINC000103460884 557437657 /nfs/dbraw/zinc/43/76/57/557437657.db2.gz NSYYOCZKQDTUGG-UGNRZPKXSA-N 0 0 431.536 3.834 50 0 IHAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)N2C1=O ZINC000103871466 557442117 /nfs/dbraw/zinc/44/21/17/557442117.db2.gz HSJZPQWHEUGUNT-ULMVMLMRSA-N 0 0 426.586 3.929 50 0 IHAARN CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccs1 ZINC000014793199 557455318 /nfs/dbraw/zinc/45/53/18/557455318.db2.gz VNUIEFGINRDQCZ-UHFFFAOYSA-N 0 0 431.543 3.724 50 0 IHAARN COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2cccc(Br)c2)c1C ZINC000051317581 557468983 /nfs/dbraw/zinc/46/89/83/557468983.db2.gz HXCMBQBMMCDWPT-UHFFFAOYSA-N 0 0 435.709 3.930 50 0 IHAARN NC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000136522247 557492202 /nfs/dbraw/zinc/49/22/02/557492202.db2.gz ZKGGZPSSIUKGJH-UHFFFAOYSA-N 0 0 425.192 3.568 50 0 IHAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000018367787 557498904 /nfs/dbraw/zinc/49/89/04/557498904.db2.gz WNGDCQDLCBCMLG-UHFFFAOYSA-N 0 0 433.537 3.654 50 0 IHAARN Cc1ccc([C@H](NC(=O)Cn2c3ccccc3nc2S(C)(=O)=O)c2cccs2)cc1 ZINC000018380941 557499972 /nfs/dbraw/zinc/49/99/72/557499972.db2.gz GAYKUYWHTYYAKK-NRFANRHFSA-N 0 0 439.562 3.716 50 0 IHAARN COC(=O)c1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1 ZINC000046913316 557513329 /nfs/dbraw/zinc/51/33/29/557513329.db2.gz XOFRHDZCRWABOT-UHFFFAOYSA-N 0 0 433.443 3.846 50 0 IHAARN CSc1nn(CC(=O)Nc2ccccc2F)c(N)c1-c1nc(-c2cccc(C)c2)no1 ZINC000046914640 557513836 /nfs/dbraw/zinc/51/38/36/557513836.db2.gz LKRFUBIKZXGHDB-UHFFFAOYSA-N 0 0 438.488 3.990 50 0 IHAARN Cc1c2c(nn1C)n(CCC(=O)Nc1ncc(Cl)cc1Cl)c(=O)cc2C(F)(F)F ZINC000036621453 557517264 /nfs/dbraw/zinc/51/72/64/557517264.db2.gz XGEPPLPYGUXOBO-UHFFFAOYSA-N 0 0 448.232 3.793 50 0 IHAARN NC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000107347421 557535574 /nfs/dbraw/zinc/53/55/74/557535574.db2.gz ODRWANFPVPQWFE-IIAWOOMASA-N 0 0 441.247 3.914 50 0 IHAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000044803552 557537096 /nfs/dbraw/zinc/53/70/96/557537096.db2.gz SOCCPNAXAPLHQO-MRXNPFEDSA-N 0 0 436.512 3.901 50 0 IHAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1OC ZINC000045702744 557545328 /nfs/dbraw/zinc/54/53/28/557545328.db2.gz QJZVZHBAIRAQSB-QAPCUYQASA-N 0 0 430.932 3.626 50 0 IHAARN O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)cc1 ZINC000045901639 557546685 /nfs/dbraw/zinc/54/66/85/557546685.db2.gz QBRKFFSNCYZRQW-IBGZPJMESA-N 0 0 434.496 3.546 50 0 IHAARN CCOCCOC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1 ZINC000045901283 557546742 /nfs/dbraw/zinc/54/67/42/557546742.db2.gz DLFKXKJNDCRITJ-UHFFFAOYSA-N 0 0 434.540 3.767 50 0 IHAARN CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)nn2)cc1 ZINC000045921750 557547624 /nfs/dbraw/zinc/54/76/24/557547624.db2.gz AEQQNXNHJWCZJD-UHFFFAOYSA-N 0 0 426.586 3.826 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nc2ccc(SC3CCCCC3)nn2c1=O ZINC000045922720 557547849 /nfs/dbraw/zinc/54/78/49/557547849.db2.gz KMJJSYVSEPIIIG-UHFFFAOYSA-N 0 0 425.558 3.825 50 0 IHAARN CCc1cccc(C)c1NC(=O)CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21 ZINC000045938916 557548217 /nfs/dbraw/zinc/54/82/17/557548217.db2.gz RFEGGYGIPYRDRM-UHFFFAOYSA-N 0 0 425.539 3.748 50 0 IHAARN O=C(Cn1cnc2c(sc3cccc(Cl)c32)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000045942891 557552199 /nfs/dbraw/zinc/55/21/99/557552199.db2.gz UMYZBTPBSTZQFF-UHFFFAOYSA-N 0 0 427.869 3.675 50 0 IHAARN COc1cc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc(OC)c1 ZINC000045942881 557552214 /nfs/dbraw/zinc/55/22/14/557552214.db2.gz RSLFTRMECGUPKZ-UHFFFAOYSA-N 0 0 429.885 3.921 50 0 IHAARN CCc1ccccc1NC(=O)CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21 ZINC000045960625 557554548 /nfs/dbraw/zinc/55/45/48/557554548.db2.gz QHAVJZMSWHLPAQ-UHFFFAOYSA-N 0 0 437.565 3.953 50 0 IHAARN CCCn1c2ccc(NC(=O)c3cc(OC)c(OC(=O)OCC)c(OC)c3)cc2oc1=O ZINC000045960988 557555063 /nfs/dbraw/zinc/55/50/63/557555063.db2.gz ZVHGCTFHUQQQGS-UHFFFAOYSA-N 0 0 444.440 3.809 50 0 IHAARN Cc1ccc(-c2cc3c(=O)[nH]nc(SCc4ccc(N5CCCC5=O)cc4)n3n2)cc1 ZINC000045971935 557555517 /nfs/dbraw/zinc/55/55/17/557555517.db2.gz ZWSOQODSJLVHQS-UHFFFAOYSA-N 0 0 431.521 3.812 50 0 IHAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCC3=CCCCC3)CC2)c1C ZINC000045973958 557555753 /nfs/dbraw/zinc/55/57/53/557555753.db2.gz GYEJMMVVKNUSIN-UHFFFAOYSA-N 0 0 429.561 3.667 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000225547146 557740012 /nfs/dbraw/zinc/74/00/12/557740012.db2.gz FFHNARIXMAWRFO-HXUWFJFHSA-N 0 0 425.510 3.779 50 0 IHAARN O=C(Nc1cc(Cl)cc2[nH]cnc21)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000225571578 557744644 /nfs/dbraw/zinc/74/46/44/557744644.db2.gz WUNORNKHTFGPRC-UHFFFAOYSA-N 0 0 437.864 3.846 50 0 IHAARN COc1cccc2sc(NC(=O)c3cccc(NN4C(=O)[C@H]5CC=CC[C@@H]5C4=O)c3)nc21 ZINC000225579803 557746309 /nfs/dbraw/zinc/74/63/09/557746309.db2.gz ISYXAVFHASVPEE-HOTGVXAUSA-N 0 0 448.504 3.835 50 0 IHAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000225612647 557752038 /nfs/dbraw/zinc/75/20/38/557752038.db2.gz TVNXOWAULKEXQH-GOSISDBHSA-N 0 0 430.867 3.600 50 0 IHAARN Cc1ccc(C)c(OCC(=O)NC[C@]2(C)CCN(C(=O)COc3cc(C)ccc3C)C2)c1 ZINC000225669596 557760314 /nfs/dbraw/zinc/76/03/14/557760314.db2.gz GEGDKLJENTUJBG-SANMLTNESA-N 0 0 438.568 3.733 50 0 IHAARN COCCNC(=O)c1ccccc1CSc1nnc(COC)n1-c1cccc(Cl)c1 ZINC000096290729 557773958 /nfs/dbraw/zinc/77/39/58/557773958.db2.gz FYIQFIMWFPHWSR-UHFFFAOYSA-N 0 0 446.960 3.736 50 0 IHAARN COc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000843971 557811540 /nfs/dbraw/zinc/81/15/40/557811540.db2.gz LHXARFWOFUBLHI-OVKIHRCZSA-N 0 0 438.483 3.526 50 0 IHAARN CC(C)Nc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Br)cc2)n1 ZINC000000852959 557831042 /nfs/dbraw/zinc/83/10/42/557831042.db2.gz UNJQJQJHKFFNIG-UHFFFAOYSA-N 0 0 434.342 3.641 50 0 IHAARN COc1ccc(CCNS(=O)(=O)c2cc(C)c(C)cc2Br)cc1OC ZINC000230517185 557835330 /nfs/dbraw/zinc/83/53/30/557835330.db2.gz SBZGUNQQROLWJK-UHFFFAOYSA-N 0 0 428.348 3.604 50 0 IHAARN O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000866124 557839494 /nfs/dbraw/zinc/83/94/94/557839494.db2.gz ICVNKBWPQVVXBS-UHFFFAOYSA-N 0 0 437.359 3.554 50 0 IHAARN O=S(=O)(NC[C@H](c1ccc(F)cc1F)N1CCCC1)c1ccc(Br)cc1 ZINC000238950185 557842043 /nfs/dbraw/zinc/84/20/43/557842043.db2.gz WWWJSGIZGWSKTM-GOSISDBHSA-N 0 0 445.329 3.843 50 0 IHAARN Fc1cccnc1OC1CCN(c2nnc(-c3ccco3)n2C[C@H]2CCCCO2)CC1 ZINC000239619570 557844814 /nfs/dbraw/zinc/84/48/14/557844814.db2.gz BFOQWJMRDYNZBU-QGZVFWFLSA-N 0 0 427.480 3.689 50 0 IHAARN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)COC[C@H]1CCOC1)CC(C)(C)O2 ZINC000240744118 557845783 /nfs/dbraw/zinc/84/57/83/557845783.db2.gz HUQKFXGEFMZWGM-YJBOKZPZSA-N 0 0 434.533 3.805 50 0 IHAARN CCOc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245297654 557849994 /nfs/dbraw/zinc/84/99/94/557849994.db2.gz WBBRMPQIPUIEHF-KYCQWFEFSA-N 0 0 448.556 3.809 50 0 IHAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000018659903 557853718 /nfs/dbraw/zinc/85/37/18/557853718.db2.gz SQDLERDSNCYPKR-UHFFFAOYSA-N 0 0 427.416 3.649 50 0 IHAARN C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018759526 557856670 /nfs/dbraw/zinc/85/66/70/557856670.db2.gz NBHOSQHFOCXAKK-HYMXPIOVSA-N 0 0 448.654 3.610 50 0 IHAARN C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388638 562921569 /nfs/dbraw/zinc/92/15/69/562921569.db2.gz MJIOXURBVHAXRI-QGZVFWFLSA-N 0 0 435.851 3.663 50 0 IHAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1 ZINC000002227280 562926426 /nfs/dbraw/zinc/92/64/26/562926426.db2.gz SZGZLAHRMIFTES-SFHVURJKSA-N 0 0 443.525 3.852 50 0 aggregator IHAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 ZINC000002369548 562927196 /nfs/dbraw/zinc/92/71/96/562927196.db2.gz GHKUFNACNMLVAG-UHFFFAOYSA-N 0 0 426.926 3.829 50 0 IHAARN CC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 ZINC000002625103 562928649 /nfs/dbraw/zinc/92/86/49/562928649.db2.gz MQLOSKAKPDRCEF-CQSZACIVSA-N 0 0 441.532 3.962 50 0 IHAARN CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000002690516 562929758 /nfs/dbraw/zinc/92/97/58/562929758.db2.gz SGYBSBHOJPKVGG-UHFFFAOYSA-N 0 0 429.505 3.747 50 0 IHAARN CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002674098 562929799 /nfs/dbraw/zinc/92/97/99/562929799.db2.gz KOTQDXOXUNHJPR-TWHPPBISSA-N 0 0 435.517 3.591 50 0 IHAARN C[C@@H](C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O ZINC000003258344 562933413 /nfs/dbraw/zinc/93/34/13/562933413.db2.gz ZZVASJSHDOGXPS-KRWDZBQOSA-N 0 0 445.519 3.614 50 0 IHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003294440 562933838 /nfs/dbraw/zinc/93/38/38/562933838.db2.gz QJVACEXTVFEVEB-UHFFFAOYSA-N 0 0 440.521 3.691 50 0 aggregator IHAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000003347450 562934630 /nfs/dbraw/zinc/93/46/30/562934630.db2.gz CRHQHLMRJUQWJD-MRXNPFEDSA-N 0 0 442.541 3.957 50 0 IHAARN Cc1cccc2sc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)nc21 ZINC000003457889 562936107 /nfs/dbraw/zinc/93/61/07/562936107.db2.gz OFKUSDQIJPNAOL-UHFFFAOYSA-N 0 0 444.582 3.708 50 0 IHAARN CCOc1ccc(Br)cc1[C@@H]1c2ccc(N(C)C)cc2OC(N)=C1C(=O)OC ZINC000003628344 562936908 /nfs/dbraw/zinc/93/69/08/562936908.db2.gz IOPHSCFJTQNVKJ-SFHVURJKSA-N 0 0 447.329 3.781 50 0 IHAARN Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1C ZINC000004061576 562941492 /nfs/dbraw/zinc/94/14/92/562941492.db2.gz RDTQUASSWSNUPV-UHFFFAOYSA-N 0 0 425.554 3.591 50 0 aggregator IHAARN CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1OCC ZINC000004167057 562942465 /nfs/dbraw/zinc/94/24/65/562942465.db2.gz VNNFNQYJVBIDAE-OAQYLSRUSA-N 0 0 439.556 3.548 50 0 IHAARN CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)C(C)C ZINC000005984148 562945593 /nfs/dbraw/zinc/94/55/93/562945593.db2.gz NOEGSCORQNNDKH-UHFFFAOYSA-N 0 0 429.542 3.651 50 0 IHAARN Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000006528522 562947034 /nfs/dbraw/zinc/94/70/34/562947034.db2.gz HJJMOBJKJOCSGF-UHFFFAOYSA-N 0 0 438.484 3.702 50 0 IHAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)cc1OCC ZINC000006578011 562948027 /nfs/dbraw/zinc/94/80/27/562948027.db2.gz STGPHPQFYSSSSC-HKBQPEDESA-N 0 0 439.537 3.993 50 0 IHAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000006931486 562948589 /nfs/dbraw/zinc/94/85/89/562948589.db2.gz XFMLFDIQPNZORB-UHFFFAOYSA-N 0 0 425.554 3.868 50 0 IHAARN CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000006940729 562948626 /nfs/dbraw/zinc/94/86/26/562948626.db2.gz GVBHHWBHTLZXFM-VQTJNVASSA-N 0 0 425.573 3.872 50 0 IHAARN COc1cc(-c2nnc(SCC3(c4ccccc4)OCCO3)o2)cc(OC)c1OC ZINC000008411486 562949363 /nfs/dbraw/zinc/94/93/63/562949363.db2.gz QEZJXBJOFQPLSQ-UHFFFAOYSA-N 0 0 430.482 3.754 50 0 IHAARN COC(=O)c1cc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)cc(C(=O)OC)c1 ZINC000008587840 562950476 /nfs/dbraw/zinc/95/04/76/562950476.db2.gz BEQRUZCPPYAXHM-UHFFFAOYSA-N 0 0 437.477 3.518 50 0 IHAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@H](C)C(=O)NCc1ccccc1C)nc2C ZINC000008593423 562952686 /nfs/dbraw/zinc/95/26/86/562952686.db2.gz IKCRYLPVGBHNSV-LJQANCHMSA-N 0 0 429.524 3.693 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000008593427 562952705 /nfs/dbraw/zinc/95/27/05/562952705.db2.gz DVGJOEJRQKUBHS-UHFFFAOYSA-N 0 0 427.504 3.607 50 0 IHAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N[C@H](C)CC)c2=O)CCCC4)cc1 ZINC000008593375 562952709 /nfs/dbraw/zinc/95/27/09/562952709.db2.gz XRVHBGHBSNQDBE-OAHLLOKOSA-N 0 0 439.581 3.570 50 0 IHAARN Cc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 ZINC000008593898 562952937 /nfs/dbraw/zinc/95/29/37/562952937.db2.gz INXRHFFILFANMV-UHFFFAOYSA-N 0 0 439.581 3.687 50 0 IHAARN Cc1ccc(NC(=O)Cn2c(-c3ccc4c(c3)OCO4)cn(-c3ccccc3)c2=O)cc1 ZINC000008595070 562953217 /nfs/dbraw/zinc/95/32/17/562953217.db2.gz JEIOVKFDFKHYRX-UHFFFAOYSA-N 0 0 427.460 3.982 50 0 aggregator IHAARN CCN1c2cc(C(=O)NCc3ccc(OC)cc3)ccc2[S@](=O)c2ccccc2C1=O ZINC000008597293 562953966 /nfs/dbraw/zinc/95/39/66/562953966.db2.gz UFOYCFLCNQFALX-HKBQPEDESA-N 0 0 434.517 3.772 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000008601837 562955673 /nfs/dbraw/zinc/95/56/73/562955673.db2.gz KUSPASLHVJHYND-HXUWFJFHSA-N 0 0 433.551 3.698 50 0 IHAARN Cc1nn(CCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000008608028 562957431 /nfs/dbraw/zinc/95/74/31/562957431.db2.gz UCHHMNOFZZCGQS-UHFFFAOYSA-N 0 0 438.981 3.665 50 0 IHAARN Cc1ccc(CCNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 ZINC000008611815 562958781 /nfs/dbraw/zinc/95/87/81/562958781.db2.gz XHJUGOCXLKUXND-UHFFFAOYSA-N 0 0 439.581 3.634 50 0 IHAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000008612021 562958948 /nfs/dbraw/zinc/95/89/48/562958948.db2.gz XRXDUBFLHXRZMO-GFCCVEGCSA-N 0 0 440.978 3.525 50 0 IHAARN Cc1ccsc1CN(C(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008612035 562958949 /nfs/dbraw/zinc/95/89/49/562958949.db2.gz QWDCLXAIQKGWRV-HNNXBMFYSA-N 0 0 428.373 3.649 50 0 IHAARN C[C@@H](NC(=O)CSc1n[nH]c(-c2ccccc2Cl)n1)c1nc2ccccc2n1C ZINC000008614460 562959685 /nfs/dbraw/zinc/95/96/85/562959685.db2.gz LGDDMLCDEBUKOR-GFCCVEGCSA-N 0 0 426.933 3.981 50 0 IHAARN CCOc1ccc(CCNC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1OCC ZINC000008619546 562959895 /nfs/dbraw/zinc/95/98/95/562959895.db2.gz IVRURWPYHYLXPZ-UHFFFAOYSA-N 0 0 426.542 3.720 50 0 IHAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1 ZINC000008620318 562960009 /nfs/dbraw/zinc/96/00/09/562960009.db2.gz YWWWPPBIRZAUFZ-OAHLLOKOSA-N 0 0 427.530 3.514 50 0 IHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccccc4)cc3N)cc2c1C ZINC000008671737 562960930 /nfs/dbraw/zinc/96/09/30/562960930.db2.gz AQCBYRHJQXOPST-UHFFFAOYSA-N 0 0 425.466 3.601 50 0 aggregator IHAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000008728541 562963829 /nfs/dbraw/zinc/96/38/29/562963829.db2.gz FKBCRVPUHQOEAB-QHCPKHFHSA-N 0 0 440.931 3.736 50 0 IHAARN COc1cccc(CNC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)c1 ZINC000008791494 562964245 /nfs/dbraw/zinc/96/42/45/562964245.db2.gz ONJGGHDJNTVGQI-UHFFFAOYSA-N 0 0 437.492 3.909 50 0 biogenic IHAARN CCOc1ccc(CCNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1OCC ZINC000009004870 562966595 /nfs/dbraw/zinc/96/65/95/562966595.db2.gz LMAWUYPMRDDXEO-UHFFFAOYSA-N 0 0 430.570 3.823 50 0 IHAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccnc1)NC(=O)c1ccccc1F ZINC000009075700 562966909 /nfs/dbraw/zinc/96/69/09/562966909.db2.gz QSYOBXFSZWXOJR-OEAKJJBVSA-N 0 0 428.467 3.832 50 0 IHAARN CNS(=O)(=O)c1ccc(CNc2ncnc3cc(-c4ccc(OC)cc4)sc32)s1 ZINC000009216694 562968256 /nfs/dbraw/zinc/96/82/56/562968256.db2.gz YJIZHXKJHLSNJU-UHFFFAOYSA-N 0 0 446.579 3.949 50 0 IHAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000009352854 562969520 /nfs/dbraw/zinc/96/95/20/562969520.db2.gz VOANQIUDSSRLQH-IAGOWNOFSA-N 0 0 434.492 3.703 50 0 IHAARN CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3F)C2)cc1 ZINC000009392149 562969804 /nfs/dbraw/zinc/96/98/04/562969804.db2.gz DZSLYVYLKSVYTN-LJQANCHMSA-N 0 0 427.457 3.782 50 0 IHAARN COc1ccc(OCCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000009485827 562971844 /nfs/dbraw/zinc/97/18/44/562971844.db2.gz AXHRGFWLWQJHEW-UHFFFAOYSA-N 0 0 437.496 3.839 50 0 IHAARN O=S(=O)(c1ccc(SCCOc2ccc(Br)cc2)nc1)N1CCCC1 ZINC000009986343 562978248 /nfs/dbraw/zinc/97/82/48/562978248.db2.gz VQLPIEADKGAQKK-UHFFFAOYSA-N 0 0 443.388 3.800 50 0 IHAARN CCOc1ccccc1NC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O ZINC000010166353 562978507 /nfs/dbraw/zinc/97/85/07/562978507.db2.gz FMVWUSGMERMUCL-UHFFFAOYSA-N 0 0 434.492 3.614 50 0 IHAARN COc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1 ZINC000012875017 562983398 /nfs/dbraw/zinc/98/33/98/562983398.db2.gz CGYXSTLXJKZYQJ-HSZRJFAPSA-N 0 0 432.520 3.704 50 0 IHAARN Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000013023635 562984247 /nfs/dbraw/zinc/98/42/47/562984247.db2.gz UQCKZBQBIDWGPV-UHFFFAOYSA-N 0 0 425.554 3.932 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000015082519 563017549 /nfs/dbraw/zinc/01/75/49/563017549.db2.gz BBDXEWCTPOLFEQ-GFCCVEGCSA-N 0 0 433.555 3.879 50 0 IHAARN COc1ccc(-n2ncc(C(=O)NC3CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000015936390 563018814 /nfs/dbraw/zinc/01/88/14/563018814.db2.gz RINQAXPEXCUNDN-UHFFFAOYSA-N 0 0 440.544 3.888 50 0 IHAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000015942249 563019572 /nfs/dbraw/zinc/01/95/72/563019572.db2.gz NQMFFBZZXYKGBC-IYBDPMFKSA-N 0 0 438.553 3.983 50 0 IHAARN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023989525 563027335 /nfs/dbraw/zinc/02/73/35/563027335.db2.gz XLHHEVGGJMLPCX-MAIVGLDJSA-N 0 0 433.596 3.960 50 0 IHAARN COC(=O)c1sc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c(C(=O)OC)c1C ZINC000018935297 568627285 /nfs/dbraw/zinc/62/72/85/568627285.db2.gz AZPITVXHYXWWTQ-INIZCTEOSA-N 0 0 430.526 3.578 50 0 IHAARN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1ccccc1N1CCOCC1 ZINC000015039123 568634362 /nfs/dbraw/zinc/63/43/62/568634362.db2.gz FYWOKMLNFQAQFU-MRXNPFEDSA-N 0 0 432.362 3.745 50 0 IHAARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000000990733 568648545 /nfs/dbraw/zinc/64/85/45/568648545.db2.gz DKSYLMNUKVZISR-UHFFFAOYSA-N 0 0 427.176 3.703 50 0 IHAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000999410 568649537 /nfs/dbraw/zinc/64/95/37/568649537.db2.gz BUTVTMFODWBBTQ-PBHICJAKSA-N 0 0 436.438 3.759 50 0 IHAARN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 ZINC000025265744 568649841 /nfs/dbraw/zinc/64/98/41/568649841.db2.gz VLDURPZQNAXGHE-OAQYLSRUSA-N 0 0 443.547 3.830 50 0 IHAARN COc1ccc(CNC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1 ZINC000001009431 568651244 /nfs/dbraw/zinc/65/12/44/568651244.db2.gz ZQIXPHJLGLEQLE-UHFFFAOYSA-N 0 0 427.386 3.749 50 0 IHAARN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccncc1 ZINC000025379674 568655268 /nfs/dbraw/zinc/65/52/68/568655268.db2.gz SNOHCDRJPFZKMO-HNNXBMFYSA-N 0 0 429.929 3.705 50 0 IHAARN COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)cc1 ZINC000001073112 568657756 /nfs/dbraw/zinc/65/77/56/568657756.db2.gz GVSUDVYZGNNWLI-UHFFFAOYSA-N 0 0 428.432 3.905 50 0 IHAARN Cc1c(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001103529 568660227 /nfs/dbraw/zinc/66/02/27/568660227.db2.gz CBXOYCOCIJEOIZ-KRWDZBQOSA-N 0 0 443.718 3.616 50 0 IHAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000001104410 568660633 /nfs/dbraw/zinc/66/06/33/568660633.db2.gz HDSLFEYMDDAGJW-QFIPXVFZSA-N 0 0 448.548 3.904 50 0 IHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000025605820 568737294 /nfs/dbraw/zinc/73/72/94/568737294.db2.gz BVROHJAXURNDQK-UHFFFAOYSA-N 0 0 436.459 3.704 50 0 IHAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3N2)cc1 ZINC000001213670 568739230 /nfs/dbraw/zinc/73/92/30/568739230.db2.gz LHEKNYLVFFSNSD-LSDHHAIUSA-N 0 0 441.885 3.893 50 0 IHAARN CSc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000031582251 568740602 /nfs/dbraw/zinc/74/06/02/568740602.db2.gz XKCAVKOQBNFTCR-UHFFFAOYSA-N 0 0 447.445 3.739 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3OC)nc2c1 ZINC000003266994 568744509 /nfs/dbraw/zinc/74/45/09/568744509.db2.gz XRBKYUCAZFFNTR-UHFFFAOYSA-N 0 0 449.554 3.598 50 0 IHAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)c2ccc(Br)o2)CC1 ZINC000044004909 568745663 /nfs/dbraw/zinc/74/56/63/568745663.db2.gz YAWLEFDERHFDSS-UHFFFAOYSA-N 0 0 436.306 3.725 50 0 IHAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 ZINC000044169519 568749153 /nfs/dbraw/zinc/74/91/53/568749153.db2.gz ZTPNOBOCDUFKPV-UHFFFAOYSA-N 0 0 436.449 3.929 50 0 IHAARN COc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)n1 ZINC000044166455 568749254 /nfs/dbraw/zinc/74/92/54/568749254.db2.gz VNROSRXMPWXJPD-UHFFFAOYSA-N 0 0 427.464 3.887 50 0 IHAARN Cc1cc(OCC(=O)NCc2ccccc2Br)nc(N2CCCCCC2)n1 ZINC000044170247 568749330 /nfs/dbraw/zinc/74/93/30/568749330.db2.gz RCKMWTFROWUUJV-UHFFFAOYSA-N 0 0 433.350 3.623 50 0 IHAARN CSc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 ZINC000044170485 568749427 /nfs/dbraw/zinc/74/94/27/568749427.db2.gz UOJKIKZPMWGRML-UHFFFAOYSA-N 0 0 434.456 3.517 50 0 IHAARN Cc1oc(-c2ccccc2NS(=O)(=O)Cc2ccccc2)nc1CNC(=O)C(C)C ZINC000299756542 568755433 /nfs/dbraw/zinc/75/54/33/568755433.db2.gz GPKLTDYGXBHQKJ-UHFFFAOYSA-N 0 0 427.526 3.864 50 0 IHAARN COCc1c(C(=O)N(C)[C@@H](C)c2nc(C)cs2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299760272 568755757 /nfs/dbraw/zinc/75/57/57/568755757.db2.gz PLVDQVAGJNYFFW-AWEZNQCLSA-N 0 0 438.513 3.667 50 0 IHAARN Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccco2)CC(=O)N(Cc2ccccc2)C1=O ZINC000299768436 568756388 /nfs/dbraw/zinc/75/63/88/568756388.db2.gz VJCHGTRKMYZKKU-AREMUKBSSA-N 0 0 430.504 3.834 50 0 IHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015344466 568758336 /nfs/dbraw/zinc/75/83/36/568758336.db2.gz VKQHOABFAWMYOJ-UHFFFAOYSA-N 0 0 448.588 3.946 50 0 IHAARN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O)Nc1ccccc1F ZINC000031944887 568759912 /nfs/dbraw/zinc/75/99/12/568759912.db2.gz USROBXIWJTVBRX-XDHOZWIPSA-N 0 0 437.452 3.997 50 0 IHAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1 ZINC000015391313 568761574 /nfs/dbraw/zinc/76/15/74/568761574.db2.gz TXDZRFYJLBXREJ-QGZVFWFLSA-N 0 0 426.991 3.694 50 0 IHAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCC[C@@H](C)C4)nc23)cc1 ZINC000263615089 568775842 /nfs/dbraw/zinc/77/58/42/568775842.db2.gz AMSCGOWHXOWYEH-CQSZACIVSA-N 0 0 441.582 3.971 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 ZINC000263617137 568777093 /nfs/dbraw/zinc/77/70/93/568777093.db2.gz MFKUUUDPQDLJTA-UHFFFAOYSA-N 0 0 429.476 3.819 50 0 IHAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000263619393 568777635 /nfs/dbraw/zinc/77/76/35/568777635.db2.gz YNKZOJSUJBNHNU-UHFFFAOYSA-N 0 0 430.439 3.806 50 0 IHAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4Br)c3CO2)cc1 ZINC000263618781 568777651 /nfs/dbraw/zinc/77/76/51/568777651.db2.gz VNGPAJBMDWWHDV-SFHVURJKSA-N 0 0 443.301 3.881 50 0 IHAARN CCc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(Br)cc2)C3)cc1 ZINC000263619638 568778426 /nfs/dbraw/zinc/77/84/26/568778426.db2.gz ZSTJXYPUVKLBAT-LJQANCHMSA-N 0 0 441.329 3.805 50 0 IHAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)N[C@@H](C)CCc4ccccc4)n3)ccc12 ZINC000032103351 568780816 /nfs/dbraw/zinc/78/08/16/568780816.db2.gz PUEQVPGXERKEBB-INIZCTEOSA-N 0 0 433.464 3.815 50 0 biogenic IHAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 ZINC000019171918 568782322 /nfs/dbraw/zinc/78/23/22/568782322.db2.gz RZUJMYKUMLGNIH-XFAFFCHDSA-N 0 0 439.515 3.758 50 0 IHAARN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)s1 ZINC000083830235 568782825 /nfs/dbraw/zinc/78/28/25/568782825.db2.gz YIKVXTFETBJIKU-LLVKDONJSA-N 0 0 426.468 3.978 50 0 IHAARN COC(=O)c1c(I)c2ccccc2n1C(=O)c1cccc(OC)c1 ZINC000001395252 568785910 /nfs/dbraw/zinc/78/59/10/568785910.db2.gz MCAHXPVJKYBXKD-UHFFFAOYSA-N 0 0 435.217 3.730 50 0 IHAARN CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)c1 ZINC000083987660 568788731 /nfs/dbraw/zinc/78/87/31/568788731.db2.gz QMHHMBPNJJKXAA-UHFFFAOYSA-N 0 0 448.298 3.687 50 0 IHAARN CCOC(=O)c1csc(-n2nc(-c3ccc(Br)cc3)cc2NC(C)=O)n1 ZINC000001415828 568790624 /nfs/dbraw/zinc/79/06/24/568790624.db2.gz ZUSIYGQYNQDMBA-UHFFFAOYSA-N 0 0 435.303 3.893 50 0 IHAARN O=C(c1csc(-c2cccs2)n1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025905726 568791251 /nfs/dbraw/zinc/79/12/51/568791251.db2.gz XDAMRIAAZKXLCA-UHFFFAOYSA-N 0 0 439.609 3.516 50 0 IHAARN O=S(=O)(N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1 ZINC000084380051 568797609 /nfs/dbraw/zinc/79/76/09/568797609.db2.gz CHWLZFUKCAVWFU-AWEZNQCLSA-N 0 0 439.864 3.556 50 0 IHAARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnc(SC)n2-c2ccccc2)c1 ZINC000015598616 568799306 /nfs/dbraw/zinc/79/93/06/568799306.db2.gz COAOHQQNHIGKOH-UHFFFAOYSA-N 0 0 444.582 3.925 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C ZINC000015601090 568799421 /nfs/dbraw/zinc/79/94/21/568799421.db2.gz NHOXCRMCHDEVJE-UHFFFAOYSA-N 0 0 436.493 3.526 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3C)CC2)cc1 ZINC000015655447 568801035 /nfs/dbraw/zinc/80/10/35/568801035.db2.gz PNGTUOISKFIKIE-UHFFFAOYSA-N 0 0 435.929 3.857 50 0 IHAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000015669363 568801901 /nfs/dbraw/zinc/80/19/01/568801901.db2.gz FKNIVRHOROOIIK-UHFFFAOYSA-N 0 0 431.464 3.703 50 0 IHAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 ZINC000015670092 568802163 /nfs/dbraw/zinc/80/21/63/568802163.db2.gz SZUQLJPWAXUGLQ-IBGZPJMESA-N 0 0 426.480 3.824 50 0 IHAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3F)n2)cc1 ZINC000015670240 568802173 /nfs/dbraw/zinc/80/21/73/568802173.db2.gz CABCUEKSFCRSBE-QGZVFWFLSA-N 0 0 448.433 3.794 50 0 IHAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000015675499 568804001 /nfs/dbraw/zinc/80/40/01/568804001.db2.gz BEAIPNCSPVJGQR-MHECFPHRSA-N 0 0 427.545 3.857 50 0 IHAARN O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1cccs1 ZINC000015722380 568812091 /nfs/dbraw/zinc/81/20/91/568812091.db2.gz WZSJKBLVQKMQQD-UHFFFAOYSA-N 0 0 445.610 3.974 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c(C)c1 ZINC000015725873 568812341 /nfs/dbraw/zinc/81/23/41/568812341.db2.gz RYVQVYAJCJSBTD-UHFFFAOYSA-N 0 0 435.977 3.656 50 0 IHAARN CCCN(CCC)C(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726416 568812547 /nfs/dbraw/zinc/81/25/47/568812547.db2.gz ISIBUSMCKKLLJD-UHFFFAOYSA-N 0 0 430.549 3.614 50 0 IHAARN CC(C)C(=O)Nc1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 ZINC000032534775 568812641 /nfs/dbraw/zinc/81/26/41/568812641.db2.gz NBHMJJRVWFKZMH-UHFFFAOYSA-N 0 0 441.534 3.749 50 0 IHAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)Nc1ccc(Br)cc1C ZINC000015727643 568812711 /nfs/dbraw/zinc/81/27/11/568812711.db2.gz OLDPAXNGKZBMOX-UHFFFAOYSA-N 0 0 431.290 3.691 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000085413715 568818703 /nfs/dbraw/zinc/81/87/03/568818703.db2.gz ZXSALKBICOOSPM-RBBKRZOGSA-N 0 0 440.423 3.741 50 0 IHAARN O=C(NCCOc1ccccc1)c1cc(Br)ccc1I ZINC000025983469 568819003 /nfs/dbraw/zinc/81/90/03/568819003.db2.gz SKOOFVKDBFUFDE-UHFFFAOYSA-N 0 0 446.082 3.863 50 0 IHAARN CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000015771577 568822517 /nfs/dbraw/zinc/82/25/17/568822517.db2.gz FQEXEFONBNNHRL-UHFFFAOYSA-N 0 0 428.514 3.760 50 0 IHAARN Cc1csc2nc(COC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc(=O)n12 ZINC000015772057 568822656 /nfs/dbraw/zinc/82/26/56/568822656.db2.gz RGRSZZTUCMFEQG-UHFFFAOYSA-N 0 0 433.489 3.982 50 0 IHAARN CCOc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000015774042 568823155 /nfs/dbraw/zinc/82/31/55/568823155.db2.gz XXWKGKLEUVQPKZ-QFIPXVFZSA-N 0 0 430.504 3.982 50 0 IHAARN O=C(CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21)NCc1ccc(F)cc1 ZINC000015776524 568823911 /nfs/dbraw/zinc/82/39/11/568823911.db2.gz KYHZKYMWNRLRDF-UHFFFAOYSA-N 0 0 438.894 3.778 50 0 IHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CCCOc1ccccc1OCC ZINC000006095153 568824571 /nfs/dbraw/zinc/82/45/71/568824571.db2.gz QEQZVJOAUKYSTN-UHFFFAOYSA-N 0 0 431.558 3.894 50 0 IHAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(OC)c2)c2cccs2)cc1 ZINC000015780885 568825164 /nfs/dbraw/zinc/82/51/64/568825164.db2.gz GLGWBVMSQRAJJZ-HXUWFJFHSA-N 0 0 431.535 3.710 50 0 IHAARN CCOc1ccccc1C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015781109 568825550 /nfs/dbraw/zinc/82/55/50/568825550.db2.gz YJECUMQVBHRBIM-OAQYLSRUSA-N 0 0 429.494 3.632 50 0 IHAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000015781380 568825774 /nfs/dbraw/zinc/82/57/74/568825774.db2.gz NFDCUYPTUPHKHP-UHFFFAOYSA-N 0 0 436.599 3.905 50 0 IHAARN COc1ccc(CC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781236 568825809 /nfs/dbraw/zinc/82/58/09/568825809.db2.gz NCPONRRRWRBLGT-OAQYLSRUSA-N 0 0 431.485 3.610 50 0 IHAARN Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015783797 568826527 /nfs/dbraw/zinc/82/65/27/568826527.db2.gz NSLIIMMEQMANSE-UHFFFAOYSA-N 0 0 434.514 3.550 50 0 IHAARN COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)c1 ZINC000085601859 568827200 /nfs/dbraw/zinc/82/72/00/568827200.db2.gz AZQNCKFQEWWIOL-UHFFFAOYSA-N 0 0 440.459 3.772 50 0 IHAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)ccc21 ZINC000015784360 568827383 /nfs/dbraw/zinc/82/73/83/568827383.db2.gz ARUWPDKDFXZJRB-LJQANCHMSA-N 0 0 431.602 3.808 50 0 IHAARN Cc1ccc(-c2cc3c4nn(CC(=O)Nc5c(C)cc(C)cc5C)c(=O)n4ccn3n2)cc1 ZINC000085643092 568829460 /nfs/dbraw/zinc/82/94/60/568829460.db2.gz VKXNCNDJWCNJGR-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN Cc1ccc(N2C[C@H](c3nnc(SCC(=O)Nc4cccc(F)c4)o3)CC2=O)cc1 ZINC000015785005 568829869 /nfs/dbraw/zinc/82/98/69/568829869.db2.gz MTTTTZPXOVOAGI-CQSZACIVSA-N 0 0 426.473 3.768 50 0 IHAARN Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(C)c(F)c4)CC3)ccc2=O)cc1C ZINC000085653923 568832532 /nfs/dbraw/zinc/83/25/32/568832532.db2.gz NIYKNYCHZOCHRE-UHFFFAOYSA-N 0 0 434.515 3.649 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc[nH]c2=O)n1C[C@@H]1CCCO1 ZINC000085704133 568835447 /nfs/dbraw/zinc/83/54/47/568835447.db2.gz WGPSLCYIDPUHRB-INIZCTEOSA-N 0 0 437.525 3.863 50 0 IHAARN C[C@H](NC(=O)CN1c2ccccc2N(C(=O)NCc2ccccc2)CC1=O)c1ccccc1 ZINC000015787049 568836477 /nfs/dbraw/zinc/83/64/77/568836477.db2.gz HSFPDFACXCQYOG-IBGZPJMESA-N 0 0 442.519 3.627 50 0 IHAARN CCOC(=O)c1c2c(sc1/N=c1\oc3c(cccc3OC)cc1C(N)=O)CCCC2 ZINC000001513010 568837962 /nfs/dbraw/zinc/83/79/62/568837962.db2.gz YLZKAKIJUVNBPU-GFMRDNFCSA-N 0 0 426.494 3.890 50 0 IHAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3ccnn3C)CC(=O)O4)c2=O)cc1 ZINC000085878143 568838791 /nfs/dbraw/zinc/83/87/91/568838791.db2.gz YLYCKDFZQIHLPE-OAHLLOKOSA-N 0 0 432.432 3.652 50 0 biogenic IHAARN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100675445 568838965 /nfs/dbraw/zinc/83/89/65/568838965.db2.gz SCVHLNZCSIMTDW-JJRVBVJISA-N 0 0 443.219 3.553 50 0 IHAARN CCc1cccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c1 ZINC000015827404 568840843 /nfs/dbraw/zinc/84/08/43/568840843.db2.gz UBJCNINHMNNIJA-UHFFFAOYSA-N 0 0 449.532 3.701 50 0 IHAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)N1CCCCCC1 ZINC000015827225 568840909 /nfs/dbraw/zinc/84/09/09/568840909.db2.gz HPLAIBJHUHTYFZ-UHFFFAOYSA-N 0 0 443.594 3.887 50 0 IHAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c2ccccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000015829329 568841231 /nfs/dbraw/zinc/84/12/31/568841231.db2.gz AFWRETIDDAKVEZ-LJQANCHMSA-N 0 0 431.492 3.662 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1c2ccccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000015829307 568841239 /nfs/dbraw/zinc/84/12/39/568841239.db2.gz RSDKFZGRFMQOJR-IBGZPJMESA-N 0 0 431.492 3.662 50 0 IHAARN CCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(-c4ccccc4)cc3)N3N=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000249693941 568843954 /nfs/dbraw/zinc/84/39/54/568843954.db2.gz OGSVCVZBYHYNOJ-FQUZAXHOSA-N 0 0 449.510 3.930 50 0 IHAARN Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 ZINC000006142358 568845435 /nfs/dbraw/zinc/84/54/35/568845435.db2.gz BUJCHVLKNJBRLM-DHIUTWEWSA-N 0 0 449.528 3.664 50 0 IHAARN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCCCC1 ZINC000006152491 568847614 /nfs/dbraw/zinc/84/76/14/568847614.db2.gz QGUQALIGLJCSSE-UHFFFAOYSA-N 0 0 442.566 3.940 50 0 IHAARN COCCCNC(=O)CSc1nc2ccccc2c(Nc2cc(OC)cc(OC)c2)n1 ZINC000002949085 568848673 /nfs/dbraw/zinc/84/86/73/568848673.db2.gz YSAWKNWMQYYRBN-UHFFFAOYSA-N 0 0 442.541 3.635 50 0 IHAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1OC ZINC000015865429 568850109 /nfs/dbraw/zinc/85/01/09/568850109.db2.gz UECUIRYNLQELBP-UHFFFAOYSA-N 0 0 445.475 3.851 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(CN(C[C@@H]2CCCO2)C(=O)Cc2cccc(OC)c2)c1C ZINC000015865640 568850606 /nfs/dbraw/zinc/85/06/06/568850606.db2.gz NLIXBZSEFBKKHE-FQEVSTJZSA-N 0 0 428.529 3.567 50 0 IHAARN COC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000015882811 568857410 /nfs/dbraw/zinc/85/74/10/568857410.db2.gz WGYHZELVMQHDGZ-UHFFFAOYSA-N 0 0 430.382 3.954 50 0 IHAARN O=C(N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2ccccc2)CCOCC1 ZINC000575414663 568862472 /nfs/dbraw/zinc/86/24/72/568862472.db2.gz IANMBOWHIYJXSW-NRFANRHFSA-N 0 0 447.984 3.777 50 0 IHAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)NC[C@H]1CCCO1 ZINC000016220321 568873478 /nfs/dbraw/zinc/87/34/78/568873478.db2.gz UWPKTHBEIKCKGQ-MRXNPFEDSA-N 0 0 439.990 3.915 50 0 IHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C ZINC000575611456 568878979 /nfs/dbraw/zinc/87/89/79/568878979.db2.gz FTJNGLTVTVZLGM-SECBINFHSA-N 0 0 448.303 3.669 50 0 IHAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 ZINC000575619293 568882701 /nfs/dbraw/zinc/88/27/01/568882701.db2.gz CWGFRBYPGFSQKZ-GFCCVEGCSA-N 0 0 429.361 3.838 50 0 IHAARN Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3Br)Cc3ccccc32)cn1 ZINC000575620117 568882884 /nfs/dbraw/zinc/88/28/84/568882884.db2.gz QIMSBFQRVPSQDJ-QGZVFWFLSA-N 0 0 432.343 3.519 50 0 IHAARN CCc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccc(C)c3)nn12 ZINC000009569103 568883940 /nfs/dbraw/zinc/88/39/40/568883940.db2.gz ORFSOSAHSSDIHH-UHFFFAOYSA-N 0 0 433.537 3.626 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000222099423 568884962 /nfs/dbraw/zinc/88/49/62/568884962.db2.gz GRDKKWFQNXNNII-YFZFPPMRSA-N 0 0 448.922 3.985 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000090582781 568888247 /nfs/dbraw/zinc/88/82/47/568888247.db2.gz PYUSWPYVUJEIFP-UHFFFAOYSA-N 0 0 446.916 3.647 50 0 IHAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C[C@@H]1CSc2ncc(C)c(=O)n21 ZINC000090593255 568888966 /nfs/dbraw/zinc/88/89/66/568888966.db2.gz OYELRCJCFHWUFA-CYBMUJFWSA-N 0 0 446.985 3.990 50 0 IHAARN Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000090608237 568891060 /nfs/dbraw/zinc/89/10/60/568891060.db2.gz KWJLOPLOYHBKQR-UHFFFAOYSA-N 0 0 435.493 3.512 50 0 IHAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013101562 568893017 /nfs/dbraw/zinc/89/30/17/568893017.db2.gz LGPHTHRYCIVCOV-PKNBQFBNSA-N 0 0 442.537 3.674 50 0 IHAARN CCOC(=O)Cc1csc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1 ZINC000012983022 568894777 /nfs/dbraw/zinc/89/47/77/568894777.db2.gz QBEPBLQSLVCVPR-UHFFFAOYSA-N 0 0 428.963 3.532 50 0 IHAARN O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4Cl)N4CCCC4)c3=O)c2N1 ZINC000035671292 568897292 /nfs/dbraw/zinc/89/72/92/568897292.db2.gz UOTNQGSEQYHAOI-CQSZACIVSA-N 0 0 446.985 3.993 50 0 IHAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000013004149 568898970 /nfs/dbraw/zinc/89/89/70/568898970.db2.gz MKGSAGVKUAVVNO-LJQANCHMSA-N 0 0 443.975 3.815 50 0 IHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1I ZINC000013005166 568899107 /nfs/dbraw/zinc/89/91/07/568899107.db2.gz PNFQEFMSJXJQRE-QGZVFWFLSA-N 0 0 434.277 3.843 50 0 IHAARN Cc1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)ccc1F ZINC000013010420 568899979 /nfs/dbraw/zinc/89/99/79/568899979.db2.gz ULCGPXYPBBUQDW-UHFFFAOYSA-N 0 0 431.316 3.812 50 0 IHAARN CNS(=O)(=O)c1ccc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000013023848 568902626 /nfs/dbraw/zinc/90/26/26/568902626.db2.gz KUJHQIAAIZEEKJ-UHFFFAOYSA-N 0 0 430.614 3.801 50 0 IHAARN O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000016481394 568909841 /nfs/dbraw/zinc/90/98/41/568909841.db2.gz FLXNPXLOOYRYSY-LJQANCHMSA-N 0 0 436.537 3.547 50 0 IHAARN CCSc1cc(C(=O)NCC(C)(C)N(C)C(=O)c2ccnc(SCC)c2)ccn1 ZINC000089275293 568910071 /nfs/dbraw/zinc/91/00/71/568910071.db2.gz HCTTWDUOSAKEGK-UHFFFAOYSA-N 0 0 432.615 3.981 50 0 IHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000245256059 568913750 /nfs/dbraw/zinc/91/37/50/568913750.db2.gz NBWZDHAQUVLXRT-WGSAOQKQSA-N 0 0 431.577 3.675 50 0 IHAARN C[C@@H]1[C@@H](c2ccccc2)OCCN1C(=O)CCC(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C ZINC000252428667 568919660 /nfs/dbraw/zinc/91/96/60/568919660.db2.gz TVNQPXYDUXKBNI-JHESGUABSA-N 0 0 436.552 3.744 50 0 IHAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000089331160 568920543 /nfs/dbraw/zinc/92/05/43/568920543.db2.gz KRZYWOGYCWLPTQ-UHFFFAOYSA-N 0 0 448.544 3.703 50 0 IHAARN COc1ccc(CN(C)S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000089356024 568921217 /nfs/dbraw/zinc/92/12/17/568921217.db2.gz UMXFJCKPKWWLLD-UHFFFAOYSA-N 0 0 446.569 3.506 50 0 IHAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O ZINC000001917051 568922659 /nfs/dbraw/zinc/92/26/59/568922659.db2.gz NWXGGAGVAJEKAN-SFHVURJKSA-N 0 0 448.397 3.508 50 0 IHAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000001916999 568922679 /nfs/dbraw/zinc/92/26/79/568922679.db2.gz HQGLKKCYCDJLHK-SFHVURJKSA-N 0 0 428.872 3.533 50 0 IHAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001942328 568923642 /nfs/dbraw/zinc/92/36/42/568923642.db2.gz WLYSWIDUPGEORI-UHFFFAOYSA-N 0 0 444.443 3.681 50 0 IHAARN CCN1C(=S)N[C@@H](c2cccc(NC(=O)NCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000016611176 568925794 /nfs/dbraw/zinc/92/57/94/568925794.db2.gz BTTYNRPWWJAGCW-FQEVSTJZSA-N 0 0 438.553 3.706 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035828283 568927927 /nfs/dbraw/zinc/92/79/27/568927927.db2.gz IYERFPXIFJOEGP-RQVMVGKASA-N 0 0 429.879 3.758 50 0 IHAARN COc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000031133185 568928068 /nfs/dbraw/zinc/92/80/68/568928068.db2.gz CONYPINSCZFYRG-UHFFFAOYSA-N 0 0 442.313 3.537 50 0 IHAARN CC(C)NC(=O)N1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064450980 568928972 /nfs/dbraw/zinc/92/89/72/568928972.db2.gz AOZZLDJPKSDKKJ-UHFFFAOYSA-N 0 0 441.605 3.908 50 0 IHAARN CCCCNC(=O)N1CCCN(c2nc(CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925640 568931528 /nfs/dbraw/zinc/93/15/28/568931528.db2.gz ZMSNORHSWUZIOZ-UHFFFAOYSA-N 0 0 435.576 3.790 50 0 IHAARN Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C ZINC000013102446 568931634 /nfs/dbraw/zinc/93/16/34/568931634.db2.gz PFKUUYUYIGWWDL-UHFFFAOYSA-N 0 0 446.569 3.974 50 0 IHAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)CCc1ccccc1)C2 ZINC000064566233 568933156 /nfs/dbraw/zinc/93/31/56/568933156.db2.gz IUVYUQOAPHDJLN-UHFFFAOYSA-N 0 0 427.508 3.578 50 0 IHAARN CSc1ccc(CNC(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)cc1 ZINC000064567216 568933375 /nfs/dbraw/zinc/93/33/75/568933375.db2.gz GNVQULJUBPPVBJ-UHFFFAOYSA-N 0 0 449.576 3.828 50 0 IHAARN COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)s1 ZINC000064579674 568934189 /nfs/dbraw/zinc/93/41/89/568934189.db2.gz RGGSSRCCJNAEFV-UHFFFAOYSA-N 0 0 437.481 3.727 50 0 IHAARN COc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 ZINC000064593255 568935772 /nfs/dbraw/zinc/93/57/72/568935772.db2.gz ZSZIPWMGHCMWPD-MRXNPFEDSA-N 0 0 434.521 3.869 50 0 IHAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 ZINC000064593614 568936105 /nfs/dbraw/zinc/93/61/05/568936105.db2.gz GBIGFCVJQQOKFP-INIZCTEOSA-N 0 0 449.536 3.625 50 0 IHAARN O=C(CSc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12)c1ccccc1 ZINC000064593848 568936185 /nfs/dbraw/zinc/93/61/85/568936185.db2.gz TWSBAKOLLZQJHQ-UHFFFAOYSA-N 0 0 441.310 3.618 50 0 IHAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c(Cl)cc1O2 ZINC000064604718 568938907 /nfs/dbraw/zinc/93/89/07/568938907.db2.gz ZZXUACKFTXPPJL-BETUJISGSA-N 0 0 436.917 3.804 50 0 IHAARN Cc1ccccc1NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCOCC4)c3c2)CC1 ZINC000064612070 568941812 /nfs/dbraw/zinc/94/18/12/568941812.db2.gz INOQDXXKEMAQMT-UHFFFAOYSA-N 0 0 447.539 3.527 50 0 IHAARN Cc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000064675915 568943827 /nfs/dbraw/zinc/94/38/27/568943827.db2.gz YOOVXULYSDEWMN-CYBMUJFWSA-N 0 0 430.979 3.656 50 0 IHAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)NC(C)C)C3CC3)n2CC(C)C)c1 ZINC000036040483 568943923 /nfs/dbraw/zinc/94/39/23/568943923.db2.gz YRNZEONNEVIJMM-UHFFFAOYSA-N 0 0 446.617 3.904 50 0 IHAARN Cc1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1Cl ZINC000064710053 568944618 /nfs/dbraw/zinc/94/46/18/568944618.db2.gz FIGOQAMXZWEGJY-UHFFFAOYSA-N 0 0 425.901 3.643 50 0 IHAARN Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(C)cc4Cl)c(=O)n3n2)cc1 ZINC000064710188 568944686 /nfs/dbraw/zinc/94/46/86/568944686.db2.gz FPOAIORIUZYULY-UHFFFAOYSA-N 0 0 439.928 3.951 50 0 IHAARN CN(CC(=O)NCc1cccnc1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704321 568944697 /nfs/dbraw/zinc/94/46/97/568944697.db2.gz WNJWVNIYFXAMFF-UHFFFAOYSA-N 0 0 449.584 3.816 50 0 IHAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036083493 568947215 /nfs/dbraw/zinc/94/72/15/568947215.db2.gz HSKBYUSWINSGOE-HXUWFJFHSA-N 0 0 432.423 3.566 50 0 IHAARN O=C(NCc1ccc(Br)cc1)c1nnn(Cc2ccccc2)c1-n1cccc1 ZINC000064744092 568948844 /nfs/dbraw/zinc/94/88/44/568948844.db2.gz ZRBRCYDPLUNRHJ-UHFFFAOYSA-N 0 0 436.313 3.810 50 0 IHAARN COc1ccc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1OC ZINC000064746858 568949626 /nfs/dbraw/zinc/94/96/26/568949626.db2.gz CFEPGQUYLMKZHF-UHFFFAOYSA-N 0 0 438.509 3.587 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000064746890 568949635 /nfs/dbraw/zinc/94/96/35/568949635.db2.gz RZTDAWZDDZJOGE-UHFFFAOYSA-N 0 0 440.956 3.944 50 0 IHAARN COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000064759131 568951816 /nfs/dbraw/zinc/95/18/16/568951816.db2.gz BEZPIAIFCYYAOU-UHFFFAOYSA-N 0 0 445.479 3.617 50 0 IHAARN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103747 568952974 /nfs/dbraw/zinc/95/29/74/568952974.db2.gz RAENQJLJTFNQKO-IBGZPJMESA-N 0 0 431.529 3.611 50 0 IHAARN COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C1CC1 ZINC000036118750 568956136 /nfs/dbraw/zinc/95/61/36/568956136.db2.gz MSZXKNWDEXBNIN-FQEVSTJZSA-N 0 0 442.581 3.507 50 0 IHAARN COCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119714 568956775 /nfs/dbraw/zinc/95/67/75/568956775.db2.gz MKMKOVMFWWJUSR-NRFANRHFSA-N 0 0 444.597 3.774 50 0 IHAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119524 568956841 /nfs/dbraw/zinc/95/68/41/568956841.db2.gz IEAASSLULZMBGZ-OAQYLSRUSA-N 0 0 444.597 3.774 50 0 IHAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000036120072 568956935 /nfs/dbraw/zinc/95/69/35/568956935.db2.gz SQYXNKWYFHOPMI-IRLDBZIGSA-N 0 0 442.581 3.589 50 0 IHAARN CCCC(=O)N1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789621 568957110 /nfs/dbraw/zinc/95/71/10/568957110.db2.gz YFLYPGFKUIJOER-UHFFFAOYSA-N 0 0 439.537 3.623 50 0 IHAARN CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O ZINC000064791409 568957669 /nfs/dbraw/zinc/95/76/69/568957669.db2.gz BERYOVQWIGJNTC-UHFFFAOYSA-N 0 0 444.466 3.727 50 0 IHAARN CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036123403 568958732 /nfs/dbraw/zinc/95/87/32/568958732.db2.gz WJFYWTVYDKHYEF-FQEVSTJZSA-N 0 0 445.560 3.834 50 0 IHAARN COc1ccc(CN(C(=O)c2cccc(Cl)c2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791872 568958986 /nfs/dbraw/zinc/95/89/86/568958986.db2.gz YAVFBYQBKLZQDY-UHFFFAOYSA-N 0 0 437.887 3.543 50 0 IHAARN Cc1cc(Nc2ccc(C(=O)NCc3cccnc3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791502 568959097 /nfs/dbraw/zinc/95/90/97/568959097.db2.gz DWZUFBGHVHXFQN-UHFFFAOYSA-N 0 0 436.479 3.563 50 0 IHAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1 ZINC000064792818 568959366 /nfs/dbraw/zinc/95/93/66/568959366.db2.gz SEBHCXGSXHTRFW-QHCPKHFHSA-N 0 0 428.540 3.881 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)NCc1ccco1 ZINC000064793743 568959714 /nfs/dbraw/zinc/95/97/14/568959714.db2.gz ONGWFNRJSWLVNK-NRFANRHFSA-N 0 0 446.898 3.686 50 0 IHAARN O=C(CN1c2nnnn2[C@H](c2ccc(Cl)cc2)C=C1c1ccccc1)Nc1nccs1 ZINC000064793759 568959787 /nfs/dbraw/zinc/95/97/87/568959787.db2.gz UFUVDHMVPRAJAK-SFHVURJKSA-N 0 0 449.927 3.872 50 0 IHAARN COCCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1sc2ncccc2c1N ZINC000064794342 568959941 /nfs/dbraw/zinc/95/99/41/568959941.db2.gz ISOMGNVWOVXNGI-UHFFFAOYSA-N 0 0 441.538 3.804 50 0 IHAARN CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1sc2ncccc2c1N ZINC000064794174 568959948 /nfs/dbraw/zinc/95/99/48/568959948.db2.gz ARDICJCEWURACO-UHFFFAOYSA-N 0 0 442.545 3.705 50 0 IHAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)Cc2cccs2)c1 ZINC000006722012 568962978 /nfs/dbraw/zinc/96/29/78/568962978.db2.gz CSUAXWFIZKYXTK-LJQANCHMSA-N 0 0 429.586 3.913 50 0 IHAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2oc1=O ZINC000064818907 568965693 /nfs/dbraw/zinc/96/56/93/568965693.db2.gz MZXCIVPMVQGWKG-UHFFFAOYSA-N 0 0 440.477 3.502 50 0 IHAARN Cc1ccc(C(=O)NCC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000064818321 568966362 /nfs/dbraw/zinc/96/63/62/568966362.db2.gz OJPBMWMIZZSXJY-UHFFFAOYSA-N 0 0 438.915 3.834 50 0 IHAARN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1C ZINC000036159338 568967033 /nfs/dbraw/zinc/96/70/33/568967033.db2.gz KOVAHMUNSYSFBQ-KRWDZBQOSA-N 0 0 441.597 3.824 50 0 IHAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000064835719 568968992 /nfs/dbraw/zinc/96/89/92/568968992.db2.gz PZYDOMHWEPNLNR-UHFFFAOYSA-N 0 0 425.554 3.606 50 0 IHAARN Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838516 568970099 /nfs/dbraw/zinc/97/00/99/568970099.db2.gz RLSDVTYUICOZOY-UHFFFAOYSA-N 0 0 448.903 3.729 50 0 IHAARN Cc1ccc(S(=O)(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)cc1C ZINC000064841521 568970311 /nfs/dbraw/zinc/97/03/11/568970311.db2.gz MFLFHHCPARFIJS-UHFFFAOYSA-N 0 0 435.933 3.782 50 0 IHAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842598 568970916 /nfs/dbraw/zinc/97/09/16/568970916.db2.gz JHPXYSUMQHIULG-FQEVSTJZSA-N 0 0 446.507 3.944 50 0 IHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1OC ZINC000064844488 568971817 /nfs/dbraw/zinc/97/18/17/568971817.db2.gz CHCMBCCRIMVIHL-HXUWFJFHSA-N 0 0 432.524 3.694 50 0 IHAARN COC[C@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036207163 568973162 /nfs/dbraw/zinc/97/31/62/568973162.db2.gz UIYMYELRBGAHQZ-MRXNPFEDSA-N 0 0 445.585 3.516 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036208559 568973428 /nfs/dbraw/zinc/97/34/28/568973428.db2.gz ZXGZZBRGFCXDGN-QHCPKHFHSA-N 0 0 439.600 3.535 50 0 IHAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036209636 568974090 /nfs/dbraw/zinc/97/40/90/568974090.db2.gz UHQFVIHGKIZQOZ-LAUBAEHRSA-N 0 0 441.597 3.560 50 0 IHAARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)n(C)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000064865955 568974244 /nfs/dbraw/zinc/97/42/44/568974244.db2.gz PISOYMNGRNPODB-MRXNPFEDSA-N 0 0 429.586 3.798 50 0 IHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210084 568974499 /nfs/dbraw/zinc/97/44/99/568974499.db2.gz NEWBLFGFZCWSFU-KKSFZXQISA-N 0 0 448.007 3.782 50 0 IHAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)N(C)c1cccc(C)c1 ZINC000064866668 568974655 /nfs/dbraw/zinc/97/46/55/568974655.db2.gz KWWFPGSHWBNDMB-UHFFFAOYSA-N 0 0 428.510 3.794 50 0 IHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccs2)CC1 ZINC000036210635 568975025 /nfs/dbraw/zinc/97/50/25/568975025.db2.gz DIUDZNFVNFGJSU-LAUBAEHRSA-N 0 0 441.597 3.622 50 0 IHAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210784 568975188 /nfs/dbraw/zinc/97/51/88/568975188.db2.gz RSRWKZQHVBHUSB-CVDCTZTESA-N 0 0 429.605 3.539 50 0 IHAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1 ZINC000036210853 568975362 /nfs/dbraw/zinc/97/53/62/568975362.db2.gz BVAVZKRKZOHZRK-XMMPIXPASA-N 0 0 447.579 3.577 50 0 IHAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccccc2C)CC3)cc1OC ZINC000064868357 568975423 /nfs/dbraw/zinc/97/54/23/568975423.db2.gz QCUBPDSQITUBKQ-UHFFFAOYSA-N 0 0 430.551 3.883 50 0 IHAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000036212212 568976018 /nfs/dbraw/zinc/97/60/18/568976018.db2.gz JQCROLPFJKSAPA-DEOSSOPVSA-N 0 0 447.579 3.577 50 0 IHAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(OC)ccc2OC)=Nc2ccccc2N1 ZINC000064869477 568976074 /nfs/dbraw/zinc/97/60/74/568976074.db2.gz UQISLCCNLKMFRA-UHFFFAOYSA-N 0 0 441.509 3.978 50 0 IHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000036212855 568976675 /nfs/dbraw/zinc/97/66/75/568976675.db2.gz XOZZMOYIYPFQIR-DEOSSOPVSA-N 0 0 449.595 3.823 50 0 IHAARN CCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCC2CC2)c1 ZINC000036219181 568977745 /nfs/dbraw/zinc/97/77/45/568977745.db2.gz HDEUROJLLPMJNP-DHIUTWEWSA-N 0 0 435.524 3.932 50 0 IHAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000064871913 568977928 /nfs/dbraw/zinc/97/79/28/568977928.db2.gz FYAMUYWEOVDBKP-UHFFFAOYSA-N 0 0 444.534 3.905 50 0 IHAARN COc1ccccc1NC(=O)Cn1c2ccccc2n2c(-c3ccc(C)cc3)nnc2c1=O ZINC000064871758 568977932 /nfs/dbraw/zinc/97/79/32/568977932.db2.gz SGKAIKDWMPRFEE-UHFFFAOYSA-N 0 0 439.475 3.667 50 0 IHAARN Cc1ccc(-c2nnc3c(=O)n(CC(=O)Nc4ccc(F)cc4)c4ccccc4n23)cc1 ZINC000064871762 568977957 /nfs/dbraw/zinc/97/79/57/568977957.db2.gz MEUCRFVXEJVDCD-UHFFFAOYSA-N 0 0 427.439 3.797 50 0 IHAARN COc1ccc(Cc2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4CC(C)C)no2)cc1Cl ZINC000064890946 568980947 /nfs/dbraw/zinc/98/09/47/568980947.db2.gz LUEKCXVDBDWDHY-UHFFFAOYSA-N 0 0 440.887 3.649 50 0 IHAARN O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036251758 568984098 /nfs/dbraw/zinc/98/40/98/568984098.db2.gz CEIOSZXTYOZPNO-NRFANRHFSA-N 0 0 429.948 3.566 50 0 IHAARN CCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036251015 568984584 /nfs/dbraw/zinc/98/45/84/568984584.db2.gz HMJHGMIWVWACPA-IBGZPJMESA-N 0 0 426.388 3.788 50 0 IHAARN O=C(NCC1CC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036254528 568984807 /nfs/dbraw/zinc/98/48/07/568984807.db2.gz YHOMKUKRJOPTQV-HXUWFJFHSA-N 0 0 438.399 3.836 50 0 IHAARN O=C(NCC1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255143 568985040 /nfs/dbraw/zinc/98/50/40/568985040.db2.gz YMFHACJJJTZOOA-QHCPKHFHSA-N 0 0 429.580 3.839 50 0 IHAARN COc1ccccc1C(=O)N1CCN([C@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1 ZINC000036255336 568985054 /nfs/dbraw/zinc/98/50/54/568985054.db2.gz OEOYSOXSMQHSMD-VWLOTQADSA-N 0 0 449.595 3.637 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000064924560 568986185 /nfs/dbraw/zinc/98/61/85/568986185.db2.gz BYCHDQSXXRZCJG-UHFFFAOYSA-N 0 0 426.471 3.729 50 0 IHAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NC[C@H](C)c1ccccc1 ZINC000064924548 568986204 /nfs/dbraw/zinc/98/62/04/568986204.db2.gz BIUSUASQBQLGSV-SFHVURJKSA-N 0 0 432.572 3.732 50 0 IHAARN Cc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4ccc(C)c(Cl)c4)n3)CC2)o1 ZINC000064927878 568986783 /nfs/dbraw/zinc/98/67/83/568986783.db2.gz ICSSUTCAJLOHAF-UHFFFAOYSA-N 0 0 440.931 3.629 50 0 IHAARN O=C(Nc1ccccc1Cl)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927552 568987319 /nfs/dbraw/zinc/98/73/19/568987319.db2.gz FRZMCJZUDBQYEQ-UHFFFAOYSA-N 0 0 426.879 3.880 50 0 IHAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928500 568987575 /nfs/dbraw/zinc/98/75/75/568987575.db2.gz IHCZRAYUTIBHST-KRWDZBQOSA-N 0 0 440.906 3.558 50 0 IHAARN Cc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(=O)n(-c4cccc(Cl)c4)n3)C2)c1 ZINC000064928826 568987759 /nfs/dbraw/zinc/98/77/59/568987759.db2.gz ZABDMCRQVAJVGW-IBGZPJMESA-N 0 0 436.943 3.727 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064929198 568987957 /nfs/dbraw/zinc/98/79/57/568987957.db2.gz UEYLKPKUZYLADU-UHFFFAOYSA-N 0 0 440.544 3.917 50 0 IHAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930012 568988462 /nfs/dbraw/zinc/98/84/62/568988462.db2.gz OXZOOLQLNZXRFO-QGZVFWFLSA-N 0 0 426.473 3.915 50 0 IHAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000064930151 568988488 /nfs/dbraw/zinc/98/84/88/568988488.db2.gz BOCONZRRWJOOTB-SFHVURJKSA-N 0 0 438.509 3.785 50 0 IHAARN Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 ZINC000064930271 568988691 /nfs/dbraw/zinc/98/86/91/568988691.db2.gz ZWGBAMNHPFCGOY-INIZCTEOSA-N 0 0 436.493 3.805 50 0 IHAARN CCOCCCNC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930467 568988871 /nfs/dbraw/zinc/98/88/71/568988871.db2.gz ZJQXPXWLXGFPEV-HNNXBMFYSA-N 0 0 437.953 3.717 50 0 IHAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2S(=O)(=O)c2cccs2)s1 ZINC000064930926 568989200 /nfs/dbraw/zinc/98/92/00/568989200.db2.gz ISTAASVEJSIGND-ZDUSSCGKSA-N 0 0 438.531 3.517 50 0 IHAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)s2)cc1 ZINC000064940893 568989489 /nfs/dbraw/zinc/98/94/89/568989489.db2.gz QCMWRLUBRUXTRU-KRWDZBQOSA-N 0 0 428.539 3.625 50 0 IHAARN Cc1cc2nc3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n3c2cc1C ZINC000006794172 568989997 /nfs/dbraw/zinc/98/99/97/568989997.db2.gz XAPSNQMIGCAGJR-UBKPWBPPSA-N 0 0 429.295 3.565 50 0 IHAARN COc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)cc1 ZINC000169681104 568991487 /nfs/dbraw/zinc/99/14/87/568991487.db2.gz GIHLUSLJGNKSIP-UHFFFAOYSA-N 0 0 438.487 3.636 50 0 IHAARN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NS(=O)(=O)c1ccccc1)C(C)C ZINC000169681027 568991518 /nfs/dbraw/zinc/99/15/18/568991518.db2.gz FMYNLTFHFRXXEQ-GOTSBHOMSA-N 0 0 432.586 3.626 50 0 IHAARN COc1cccc(Cn2c3cc(C(=O)NCc4ccc(C)o4)ccc3n3nccc3c2=O)c1 ZINC000169681133 568991716 /nfs/dbraw/zinc/99/17/16/568991716.db2.gz FJDONNAPOZTZDA-UHFFFAOYSA-N 0 0 442.475 3.538 50 0 IHAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000169681414 568992232 /nfs/dbraw/zinc/99/22/32/568992232.db2.gz LLEKRQUQGDDCLN-SFHVURJKSA-N 0 0 439.556 3.755 50 0 IHAARN COc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)c1 ZINC000064942710 568992243 /nfs/dbraw/zinc/99/22/43/568992243.db2.gz AHIBAHJFPSYNFH-UHFFFAOYSA-N 0 0 447.310 3.938 50 0 IHAARN O=c1n(Cc2ccc(Cl)cc2)nc2n1c1ccsc1c(=O)n2CCc1ccccc1 ZINC000064946321 568994356 /nfs/dbraw/zinc/99/43/56/568994356.db2.gz KQEBGAAIQRIURQ-UHFFFAOYSA-N 0 0 436.924 3.817 50 0 IHAARN Cc1ccc(NC(=O)N2CCN([C@@H](C(=O)N(C)Cc3ccco3)C3CCCC3)CC2)cc1 ZINC000036310945 568996885 /nfs/dbraw/zinc/99/68/85/568996885.db2.gz XZFXPDYEXCIEOS-HSZRJFAPSA-N 0 0 438.572 3.955 50 0 IHAARN Cc1cccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc4c(c3)OCO4)C3CCCC3)CC2)c1 ZINC000036311967 568997362 /nfs/dbraw/zinc/99/73/62/568997362.db2.gz MCVGGORYLDIEMN-XMMPIXPASA-N 0 0 449.551 3.679 50 0 IHAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312517 568997788 /nfs/dbraw/zinc/99/77/88/568997788.db2.gz IDSFQAPBIZXSKT-UHFFFAOYSA-N 0 0 440.588 3.649 50 0 IHAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(C)c4)c(=O)[nH]c3C2)cc1OC ZINC000064959195 568999840 /nfs/dbraw/zinc/99/98/40/568999840.db2.gz PXVVHUKMNDDZDW-MRXNPFEDSA-N 0 0 432.476 3.866 50 0 IHAARN Cc1cccc(CN2CCCn3nc(C(=O)NCc4ccc(OC(C)C)cc4)cc3C2=O)c1 ZINC000064959790 569000070 /nfs/dbraw/zinc/00/00/70/569000070.db2.gz FIPSYLVVIHECNS-UHFFFAOYSA-N 0 0 446.551 3.955 50 0 IHAARN Cc1cccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@H]3C2=O)c1 ZINC000064966771 569001546 /nfs/dbraw/zinc/00/15/46/569001546.db2.gz XEWZMJOWRXUMKM-QFIPXVFZSA-N 0 0 446.551 3.575 50 0 IHAARN Cc1cccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3N3CCCC[C@@H]3C2=O)c1 ZINC000064966770 569001624 /nfs/dbraw/zinc/00/16/24/569001624.db2.gz XEWZMJOWRXUMKM-JOCHJYFZSA-N 0 0 446.551 3.575 50 0 IHAARN O=C(NCc1ccccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000064972099 569076741 /nfs/dbraw/zinc/07/67/41/569076741.db2.gz OJVDNVGJNMCRKD-JOCHJYFZSA-N 0 0 440.952 3.772 50 0 IHAARN CCc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000064972446 569076885 /nfs/dbraw/zinc/07/68/85/569076885.db2.gz HJAFLMWLTDKKBV-RUZDIDTESA-N 0 0 448.588 3.989 50 0 IHAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2F)c1 ZINC000064972421 569076899 /nfs/dbraw/zinc/07/68/99/569076899.db2.gz LBFWZSLSUJWACX-HSZRJFAPSA-N 0 0 438.524 3.566 50 0 IHAARN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000064972394 569076913 /nfs/dbraw/zinc/07/69/13/569076913.db2.gz QDKMNEUCWCKTSL-XMMPIXPASA-N 0 0 434.561 3.735 50 0 IHAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)C(=O)N1CCCCC1 ZINC000064972580 569077000 /nfs/dbraw/zinc/07/70/00/569077000.db2.gz LOQXXOZXNLCCTE-OAHLLOKOSA-N 0 0 436.537 3.679 50 0 IHAARN CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064976960 569077345 /nfs/dbraw/zinc/07/73/45/569077345.db2.gz TZKKXCKFQGAVSW-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 IHAARN COc1ccc(-n2cc(C(=O)Oc3cccnc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000064977167 569077448 /nfs/dbraw/zinc/07/74/48/569077448.db2.gz YMESRXQFMQBDNY-UHFFFAOYSA-N 0 0 432.432 3.631 50 0 IHAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000064977636 569077472 /nfs/dbraw/zinc/07/74/72/569077472.db2.gz UAZBCEMFWBXWSW-UHFFFAOYSA-N 0 0 427.871 3.599 50 0 IHAARN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1OC ZINC000064978221 569077709 /nfs/dbraw/zinc/07/77/09/569077709.db2.gz NVFVSRJJDYZORQ-UHFFFAOYSA-N 0 0 434.467 3.976 50 0 IHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000064977926 569077863 /nfs/dbraw/zinc/07/78/63/569077863.db2.gz ZHWAJTYZNMRAID-UHFFFAOYSA-N 0 0 437.569 3.656 50 0 IHAARN Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006825128 569078146 /nfs/dbraw/zinc/07/81/46/569078146.db2.gz ANYNUAYZGOSFKZ-BFIDETRKSA-N 0 0 425.525 3.511 50 0 biogenic IHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)C1 ZINC000036341567 569079383 /nfs/dbraw/zinc/07/93/83/569079383.db2.gz RAAABUKBLQOBPM-OFNKIYASSA-N 0 0 437.515 3.779 50 0 IHAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C(N)=O)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036342718 569079498 /nfs/dbraw/zinc/07/94/98/569079498.db2.gz DFRWVOWARASOMR-RUZDIDTESA-N 0 0 446.595 3.795 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036345202 569080612 /nfs/dbraw/zinc/08/06/12/569080612.db2.gz VJPAIHUPQGVYAU-HSZRJFAPSA-N 0 0 437.515 3.779 50 0 IHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036345536 569080660 /nfs/dbraw/zinc/08/06/60/569080660.db2.gz HUQUNXZCNFMULZ-XMMPIXPASA-N 0 0 433.552 3.948 50 0 IHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000064985270 569081848 /nfs/dbraw/zinc/08/18/48/569081848.db2.gz IPGRVDXNPGNHCL-HXUWFJFHSA-N 0 0 428.897 3.935 50 0 IHAARN O=C(Nc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000064985655 569082000 /nfs/dbraw/zinc/08/20/00/569082000.db2.gz ZQUFPWVNNGDUSP-HXUWFJFHSA-N 0 0 428.897 3.935 50 0 IHAARN CCN(C)S(=O)(=O)c1cc2c(cc1N1CCC(C)CC1)Oc1ccccc1NC2=O ZINC000064986658 569082221 /nfs/dbraw/zinc/08/22/21/569082221.db2.gz SGPUXIHNYYDRDY-UHFFFAOYSA-N 0 0 429.542 3.921 50 0 IHAARN CCN(C)S(=O)(=O)c1cc2c(cc1Oc1cccnc1)Oc1ccccc1NC2=O ZINC000064986652 569082263 /nfs/dbraw/zinc/08/22/63/569082263.db2.gz OYGCDDHQQGMFCE-UHFFFAOYSA-N 0 0 425.466 3.872 50 0 IHAARN CCOc1ccccc1NC(=O)NCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000064991346 569083565 /nfs/dbraw/zinc/08/35/65/569083565.db2.gz XWAPPOPBUBZQOG-UHFFFAOYSA-N 0 0 427.486 3.519 50 0 IHAARN CC(C)c1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064991771 569084754 /nfs/dbraw/zinc/08/47/54/569084754.db2.gz OKJZOLKHPNLXRQ-UHFFFAOYSA-N 0 0 434.518 3.531 50 0 IHAARN Cc1ccc(-c2noc(-c3cccn(CC(=O)N4CCCc5ccccc54)c3=O)n2)cc1 ZINC000064998737 569085527 /nfs/dbraw/zinc/08/55/27/569085527.db2.gz BKIGYEGEBCLKPU-UHFFFAOYSA-N 0 0 426.476 3.853 50 0 IHAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 ZINC000064999198 569085693 /nfs/dbraw/zinc/08/56/93/569085693.db2.gz GTBQODNHMBNOPT-UHFFFAOYSA-N 0 0 439.468 3.920 50 0 IHAARN COCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000065006521 569087533 /nfs/dbraw/zinc/08/75/33/569087533.db2.gz SLUSQBSDILWHKY-INIZCTEOSA-N 0 0 429.586 3.678 50 0 IHAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(-c3cccc(OC)c3)ncn2)CC1 ZINC000065007706 569087785 /nfs/dbraw/zinc/08/77/85/569087785.db2.gz JWFGECOPDUOSOD-UHFFFAOYSA-N 0 0 433.512 3.905 50 0 IHAARN Cc1ccc(-c2ccc(NC3CCCCCCC3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000065009386 569087986 /nfs/dbraw/zinc/08/79/86/569087986.db2.gz HLIXIDPIYXIRBG-UHFFFAOYSA-N 0 0 444.601 3.998 50 0 IHAARN COc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009581 569088000 /nfs/dbraw/zinc/08/80/00/569088000.db2.gz LAXKRLJPIMWXCY-UHFFFAOYSA-N 0 0 428.489 3.819 50 0 IHAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc(OC)c1 ZINC000065020991 569088687 /nfs/dbraw/zinc/08/86/87/569088687.db2.gz ITKBOHMLTLEOET-UHFFFAOYSA-N 0 0 432.542 3.785 50 0 IHAARN COc1ccc(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c(OC)c1 ZINC000065023937 569089432 /nfs/dbraw/zinc/08/94/32/569089432.db2.gz UIPIFDUMVJESSI-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c1 ZINC000065023922 569089516 /nfs/dbraw/zinc/08/95/16/569089516.db2.gz CGOUMYALUZTLSZ-UHFFFAOYSA-N 0 0 432.524 3.694 50 0 IHAARN CCOc1ccccc1CNC(=O)COc1ncnc2onc(-c3ccc(C)c(C)c3)c21 ZINC000065024880 569089694 /nfs/dbraw/zinc/08/96/94/569089694.db2.gz BVLVVTJCCJINEY-UHFFFAOYSA-N 0 0 432.480 3.996 50 0 IHAARN Cc1ccc(CNC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000065025868 569090868 /nfs/dbraw/zinc/09/08/68/569090868.db2.gz NOTBJPOQAAEKNS-UHFFFAOYSA-N 0 0 433.581 3.520 50 0 IHAARN CCc1cccc(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1 ZINC000065030751 569091358 /nfs/dbraw/zinc/09/13/58/569091358.db2.gz DNMIHZRNJHDKTM-UHFFFAOYSA-N 0 0 437.569 3.711 50 0 IHAARN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065035651 569092314 /nfs/dbraw/zinc/09/23/14/569092314.db2.gz OHAWPZBZDPZZIQ-UHFFFAOYSA-N 0 0 431.471 3.693 50 0 IHAARN CC(C)Cn1c2nnc(CCCC(=O)N[C@@H]3CCCC[C@@H]3C)n2c2ccsc2c1=O ZINC000006868483 569092793 /nfs/dbraw/zinc/09/27/93/569092793.db2.gz PLELETOIYKGOAX-JKSUJKDBSA-N 0 0 429.590 3.779 50 0 IHAARN COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)n2N)c1 ZINC000036385454 569092960 /nfs/dbraw/zinc/09/29/60/569092960.db2.gz LVBDFRAGZDWISB-AYOQOUSVSA-N 0 0 448.589 3.676 50 0 IHAARN CCCCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000169752371 569093142 /nfs/dbraw/zinc/09/31/42/569093142.db2.gz OTTYEAQHFAZLCZ-UHFFFAOYSA-N 0 0 448.498 3.776 50 0 IHAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(OC(F)(F)F)cc1 ZINC000169752394 569093267 /nfs/dbraw/zinc/09/32/67/569093267.db2.gz NFGRPOYOQVKEJU-UHFFFAOYSA-N 0 0 433.361 3.741 50 0 IHAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(Br)cc4)C3)n[nH]2)cc1 ZINC000169753972 569093704 /nfs/dbraw/zinc/09/37/04/569093704.db2.gz XULJLSCADLTNQQ-KRWDZBQOSA-N 0 0 441.329 3.857 50 0 IHAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4c[nH]c5ccccc45)C3)n[nH]2)cc1 ZINC000169753893 569093750 /nfs/dbraw/zinc/09/37/50/569093750.db2.gz GTOJCYHIFDFFAC-LJQANCHMSA-N 0 0 429.524 3.894 50 0 IHAARN O=C(CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O)Nc1ccc(Cl)cc1 ZINC000169758039 569094223 /nfs/dbraw/zinc/09/42/23/569094223.db2.gz QNOSKWGCKRHYJU-GOSISDBHSA-N 0 0 432.263 3.509 50 0 IHAARN CCN(C(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccccc2Cl)NC1=O)c1cccc(C)c1 ZINC000169758018 569094267 /nfs/dbraw/zinc/09/42/67/569094267.db2.gz VVEPAMNQFMXHJE-NRFANRHFSA-N 0 0 439.899 3.579 50 0 IHAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)n2)c(OC)c1 ZINC000169758232 569094394 /nfs/dbraw/zinc/09/43/94/569094394.db2.gz JVXNBDOSHPKUQS-SFHVURJKSA-N 0 0 439.859 3.937 50 0 IHAARN COc1ccccc1OCCNC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169760314 569094585 /nfs/dbraw/zinc/09/45/85/569094585.db2.gz CWXPGAAQNXBCFT-NRFANRHFSA-N 0 0 427.888 3.625 50 0 IHAARN COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)N(C(=O)Nc1ccccc1)CC2 ZINC000006870804 569094687 /nfs/dbraw/zinc/09/46/87/569094687.db2.gz PGGMUQWJCOWZFM-FQEVSTJZSA-N 0 0 425.529 3.997 50 0 IHAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)COc3ccc(Cl)cc3)C2)c1 ZINC000065058312 569095584 /nfs/dbraw/zinc/09/55/84/569095584.db2.gz GMILGPYQSRTXHB-QHCPKHFHSA-N 0 0 430.932 3.673 50 0 IHAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000065060194 569095830 /nfs/dbraw/zinc/09/58/30/569095830.db2.gz NVAMZIBSZLQKSX-UHFFFAOYSA-N 0 0 435.615 3.766 50 0 IHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c(C)c1 ZINC000065059462 569096081 /nfs/dbraw/zinc/09/60/81/569096081.db2.gz TUQVCIBUANJCGG-HSZRJFAPSA-N 0 0 432.561 3.858 50 0 IHAARN C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062233 569096817 /nfs/dbraw/zinc/09/68/17/569096817.db2.gz ROBUTSHAFJOXSD-CYBMUJFWSA-N 0 0 444.981 3.894 50 0 IHAARN CCN1c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000169766633 569097171 /nfs/dbraw/zinc/09/71/71/569097171.db2.gz RFMGIERERFGULA-XMMPIXPASA-N 0 0 432.568 3.750 50 0 IHAARN CCCOc1ccc(CNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)cc1 ZINC000065062642 569097203 /nfs/dbraw/zinc/09/72/03/569097203.db2.gz OPWBWXQRMGCESC-UHFFFAOYSA-N 0 0 438.553 3.761 50 0 IHAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)[C@H]3CCCCCN3C4=O)CC2)cc1 ZINC000169766521 569097574 /nfs/dbraw/zinc/09/75/74/569097574.db2.gz TUSXJTLUYGZEJX-XMMPIXPASA-N 0 0 432.568 3.750 50 0 IHAARN CCN1c2cc(C(=O)NCc3nc4ccccc4n3C)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766372 569097576 /nfs/dbraw/zinc/09/75/76/569097576.db2.gz NKTXDLNVJPTMRE-QHCPKHFHSA-N 0 0 431.540 3.686 50 0 IHAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000065074951 569099307 /nfs/dbraw/zinc/09/93/07/569099307.db2.gz XMYOCYXNJPMQMY-SANMLTNESA-N 0 0 430.504 3.982 50 0 IHAARN COC(=O)c1cc(NC(=O)c2c3c(nn2-c2ccccc2)CCCC3)cc(C(=O)OC)c1 ZINC000036396575 569099876 /nfs/dbraw/zinc/09/98/76/569099876.db2.gz ZQHQLSQUPSHMAA-UHFFFAOYSA-N 0 0 433.464 3.577 50 0 IHAARN C[C@H](CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000065077226 569100149 /nfs/dbraw/zinc/10/01/49/569100149.db2.gz IUFPAJNIOCJEDE-LLVKDONJSA-N 0 0 440.493 3.590 50 0 IHAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccc(Cl)cc1F ZINC000065077173 569100217 /nfs/dbraw/zinc/10/02/17/569100217.db2.gz CHYVWTIQLMAPIK-UHFFFAOYSA-N 0 0 442.921 3.716 50 0 IHAARN Cc1ccc(N(C)C(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000065077510 569100310 /nfs/dbraw/zinc/10/03/10/569100310.db2.gz PRMQRCGYLRGBHT-HNNXBMFYSA-N 0 0 432.567 3.645 50 0 IHAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc2S1 ZINC000065077747 569100674 /nfs/dbraw/zinc/10/06/74/569100674.db2.gz CETOHANMGMYBDD-GFCCVEGCSA-N 0 0 438.958 3.965 50 0 IHAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065078059 569100706 /nfs/dbraw/zinc/10/07/06/569100706.db2.gz SSOBIISNKJGSJF-CQSZACIVSA-N 0 0 448.566 3.629 50 0 IHAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000065078048 569100708 /nfs/dbraw/zinc/10/07/08/569100708.db2.gz NNZTWWUUDXGKGA-CYBMUJFWSA-N 0 0 436.530 3.759 50 0 IHAARN CCCCNC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)C1 ZINC000065080651 569101112 /nfs/dbraw/zinc/10/11/12/569101112.db2.gz RYUYGFBAZQTNME-INIZCTEOSA-N 0 0 427.574 3.932 50 0 IHAARN CCOCCCNC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(F)c2)C1 ZINC000065081166 569101173 /nfs/dbraw/zinc/10/11/73/569101173.db2.gz XCPLOMPJXQDFPI-MRXNPFEDSA-N 0 0 445.564 3.689 50 0 IHAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000169775286 569101691 /nfs/dbraw/zinc/10/16/91/569101691.db2.gz NSGSYACJRXQVGZ-JOCHJYFZSA-N 0 0 448.498 3.785 50 0 IHAARN O=C(c1ccc(F)c(F)c1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777572 569103049 /nfs/dbraw/zinc/10/30/49/569103049.db2.gz SHLDESHDAXWDKF-UHFFFAOYSA-N 0 0 436.422 3.751 50 0 IHAARN COc1ccc(Cl)cc1C(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1 ZINC000169780926 569103123 /nfs/dbraw/zinc/10/31/23/569103123.db2.gz HWUCHTHTLWWTHF-UHFFFAOYSA-N 0 0 430.896 3.591 50 0 IHAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1OC ZINC000169779602 569103348 /nfs/dbraw/zinc/10/33/48/569103348.db2.gz WOXKFTPHMKHAJI-JOCHJYFZSA-N 0 0 441.915 3.798 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1N(C)C ZINC000006899788 569103401 /nfs/dbraw/zinc/10/34/01/569103401.db2.gz FMAURPVSWQVKRV-INIZCTEOSA-N 0 0 427.570 3.940 50 0 IHAARN Cc1ccc(-c2noc(-c3nnc(SCC(=O)NCCCc4ccccc4)n3C)n2)cc1 ZINC000065099975 569104774 /nfs/dbraw/zinc/10/47/74/569104774.db2.gz GUDXYESFHNARHD-UHFFFAOYSA-N 0 0 448.552 3.682 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100012 569104887 /nfs/dbraw/zinc/10/48/87/569104887.db2.gz NLFHNAGRVRGPPM-UHFFFAOYSA-N 0 0 428.424 3.541 50 0 IHAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1nc(-c2ccccc2)no1 ZINC000065100085 569104893 /nfs/dbraw/zinc/10/48/93/569104893.db2.gz PKQBFEQARKRALK-UHFFFAOYSA-N 0 0 426.889 3.916 50 0 IHAARN COc1cccc(-c2nn(C)cc2-c2nnc(SCC(=O)N(C)c3ccccc3)n2C)c1 ZINC000065099145 569105087 /nfs/dbraw/zinc/10/50/87/569105087.db2.gz XEGOVUYPQNQRBC-UHFFFAOYSA-N 0 0 448.552 3.646 50 0 IHAARN COc1ccccc1NC(=O)CSc1nnc(-c2cn(C)nc2-c2ccccc2)n1C ZINC000065099515 569105180 /nfs/dbraw/zinc/10/51/80/569105180.db2.gz XZRGBVQZRRBZLO-UHFFFAOYSA-N 0 0 434.525 3.622 50 0 IHAARN CCCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000065101457 569105379 /nfs/dbraw/zinc/10/53/79/569105379.db2.gz MNZDOJXKKCOHBB-UHFFFAOYSA-N 0 0 434.540 3.617 50 0 IHAARN Cc1cccc(NC(=O)Cn2c(=O)nc(NCc3ccc4c(c3)OCO4)c3ccccc32)c1 ZINC000065101944 569106018 /nfs/dbraw/zinc/10/60/18/569106018.db2.gz VWPQBGWCIKNISR-UHFFFAOYSA-N 0 0 442.475 3.684 50 0 IHAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000065116569 569107328 /nfs/dbraw/zinc/10/73/28/569107328.db2.gz GVHSMXUBPRHBFV-UHFFFAOYSA-N 0 0 446.554 3.760 50 0 IHAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(F)ccc3C)c2c1=O ZINC000065113558 569108436 /nfs/dbraw/zinc/10/84/36/569108436.db2.gz QUJWIOLFTOJJOA-UHFFFAOYSA-N 0 0 448.498 3.988 50 0 IHAARN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1 ZINC000065130154 569109023 /nfs/dbraw/zinc/10/90/23/569109023.db2.gz XVCHJQYASMDESB-UHFFFAOYSA-N 0 0 433.895 3.968 50 0 IHAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)n2)c1 ZINC000065131017 569109264 /nfs/dbraw/zinc/10/92/64/569109264.db2.gz FSPWHXDWVDIDJX-FQEVSTJZSA-N 0 0 447.539 3.619 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(C)c(C)c3)nn2)C1 ZINC000065131991 569109659 /nfs/dbraw/zinc/10/96/59/569109659.db2.gz ZNOXLEJJUNMLJW-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN CCCNC(=O)[C@@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(CC)cc3)nn2)C1 ZINC000065131957 569109748 /nfs/dbraw/zinc/10/97/48/569109748.db2.gz HWVUTGRVGUYHFQ-GOSISDBHSA-N 0 0 441.601 3.512 50 0 IHAARN CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3cc(C)ccc3C)nn2)C1 ZINC000065132125 569109778 /nfs/dbraw/zinc/10/97/78/569109778.db2.gz RACWBLRVDALORT-SFHVURJKSA-N 0 0 441.601 3.567 50 0 IHAARN Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1S(=O)(=O)N(C)C ZINC000065138367 569110707 /nfs/dbraw/zinc/11/07/07/569110707.db2.gz PDXFTYBDYINWBN-UHFFFAOYSA-N 0 0 446.960 3.704 50 0 IHAARN COc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)oc(=O)n5C(C)C)no3)CC2=O)cc1 ZINC000065138363 569110709 /nfs/dbraw/zinc/11/07/09/569110709.db2.gz AXWJOJCXQHFFEW-OAHLLOKOSA-N 0 0 434.452 3.755 50 0 IHAARN CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006931128 569110885 /nfs/dbraw/zinc/11/08/85/569110885.db2.gz UMDXTUNHUGDGGV-UHFFFAOYSA-N 0 0 429.586 3.674 50 0 IHAARN COc1ccc(CC(=O)N2CCC[C@@H](c3noc(-c4ccc(F)cc4)n3)C2)cc1OC ZINC000065149444 569110949 /nfs/dbraw/zinc/11/09/49/569110949.db2.gz NLBNXAOAXHRCCQ-QGZVFWFLSA-N 0 0 425.460 3.842 50 0 IHAARN Cc1cccc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)c1 ZINC000065150979 569111609 /nfs/dbraw/zinc/11/16/09/569111609.db2.gz AOPRUGMEJUXPBR-UHFFFAOYSA-N 0 0 439.928 3.784 50 0 IHAARN Cc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)NC4CCCCC4)n3)CC2)c1 ZINC000065151393 569111777 /nfs/dbraw/zinc/11/17/77/569111777.db2.gz SVSCJKGLGXLMLF-UHFFFAOYSA-N 0 0 439.629 3.961 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21 ZINC000065155248 569112427 /nfs/dbraw/zinc/11/24/27/569112427.db2.gz FLVNDJZCVKFVMU-HSZRJFAPSA-N 0 0 440.858 3.709 50 0 IHAARN O=S(=O)(c1ccc(Br)cc1)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065169261 569112657 /nfs/dbraw/zinc/11/26/57/569112657.db2.gz DJGVJCLRWXYBOR-UHFFFAOYSA-N 0 0 430.327 3.653 50 0 IHAARN Cc1ccccc1CNC(=O)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000065183483 569113927 /nfs/dbraw/zinc/11/39/27/569113927.db2.gz OSYYCUXTHQUQIO-UHFFFAOYSA-N 0 0 440.912 3.599 50 0 IHAARN COc1cccc(CC(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCC4)cc3)C2)c1 ZINC000065178644 569114524 /nfs/dbraw/zinc/11/45/24/569114524.db2.gz VGYDPMMNXZHWJU-NRFANRHFSA-N 0 0 436.552 3.791 50 0 IHAARN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000065194092 569114771 /nfs/dbraw/zinc/11/47/71/569114771.db2.gz VORYPUOLYITIPN-UHFFFAOYSA-N 0 0 428.558 3.644 50 0 IHAARN CC(C)Oc1ccc(-c2noc(Cn3ccn(-c4ccc(Cl)cc4)c(=O)c3=O)n2)cc1 ZINC000065198511 569114938 /nfs/dbraw/zinc/11/49/38/569114938.db2.gz TVOARKRKMUGMLZ-UHFFFAOYSA-N 0 0 438.871 3.538 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c(F)c1 ZINC000065195616 569115541 /nfs/dbraw/zinc/11/55/41/569115541.db2.gz OAFCFGUOGRGSGE-GOSISDBHSA-N 0 0 435.499 3.815 50 0 IHAARN Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CCC2)C1 ZINC000065195611 569115588 /nfs/dbraw/zinc/11/55/88/569115588.db2.gz MSTJUNWSBSRSKK-SFHVURJKSA-N 0 0 435.499 3.815 50 0 IHAARN O=C(CSc1ncccc1-c1nc(-c2ccccc2)no1)NCc1ccc2c(c1)OCO2 ZINC000065196084 569115602 /nfs/dbraw/zinc/11/56/02/569115602.db2.gz PLXJAWAOAJFMPG-UHFFFAOYSA-N 0 0 446.488 3.936 50 0 IHAARN O=C(N[C@@H](c1nnc(N2CCCC2)o1)c1ccccc1)c1ccc(Br)cc1 ZINC000065209414 569116063 /nfs/dbraw/zinc/11/60/63/569116063.db2.gz PYACQWZXVRTRJJ-QGZVFWFLSA-N 0 0 427.302 3.952 50 0 IHAARN CC(C)c1nc(-c2cccnc2SCC(=O)N2CCN(Cc3ccccc3)CC2)no1 ZINC000065211370 569116442 /nfs/dbraw/zinc/11/64/42/569116442.db2.gz BAPQJVFXYUWGOC-UHFFFAOYSA-N 0 0 437.569 3.692 50 0 IHAARN Cc1ccccc1N1CCN(C(=O)CSc2ncccc2-c2noc(C3CC3)n2)CC1 ZINC000065211395 569116481 /nfs/dbraw/zinc/11/64/81/569116481.db2.gz HVSYTMMCWCPAMS-UHFFFAOYSA-N 0 0 435.553 3.758 50 0 IHAARN CCCn1cc(C2=CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c2cccnc21 ZINC000065211856 569116559 /nfs/dbraw/zinc/11/65/59/569116559.db2.gz UVONBUJDUNLNLW-UHFFFAOYSA-N 0 0 438.553 3.883 50 0 IHAARN COC(=O)c1ccccc1NC(=O)Cn1ccc2ccn(Cc3ccccc3C)c2c1=O ZINC000065220290 569117233 /nfs/dbraw/zinc/11/72/33/569117233.db2.gz VOGUMEMEWVMBTJ-UHFFFAOYSA-N 0 0 429.476 3.585 50 0 IHAARN CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)no1 ZINC000065227732 569117527 /nfs/dbraw/zinc/11/75/27/569117527.db2.gz OSTVFHMAUGLITM-INIZCTEOSA-N 0 0 425.920 3.880 50 0 IHAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)c1 ZINC000065227985 569117605 /nfs/dbraw/zinc/11/76/05/569117605.db2.gz DQQFEPYARPGFAW-IBGZPJMESA-N 0 0 447.539 3.941 50 0 IHAARN CCOC(=O)C1CCC(CNC(=O)N2CCCn3nc(-c4cccs4)cc3C2)CC1 ZINC000065225601 569117837 /nfs/dbraw/zinc/11/78/37/569117837.db2.gz ZWHCEMAAIMADGJ-UHFFFAOYSA-N 0 0 430.574 3.896 50 0 IHAARN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)o2)cc1 ZINC000065229537 569118105 /nfs/dbraw/zinc/11/81/05/569118105.db2.gz NOWKUKUWXOPZCY-UHFFFAOYSA-N 0 0 449.530 3.749 50 0 IHAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4nnc(-c5ccccc5)o4)CC3)CC2)c1C ZINC000065229376 569118133 /nfs/dbraw/zinc/11/81/33/569118133.db2.gz CMQWNEALZCHOSE-UHFFFAOYSA-N 0 0 445.567 3.919 50 0 IHAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c1 ZINC000065229556 569118137 /nfs/dbraw/zinc/11/81/37/569118137.db2.gz YKELRQSFAHGGNH-UHFFFAOYSA-N 0 0 436.512 3.595 50 0 IHAARN COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000065229707 569118266 /nfs/dbraw/zinc/11/82/66/569118266.db2.gz ZMDSHVRWUOWUPS-UHFFFAOYSA-N 0 0 426.904 3.931 50 0 IHAARN COc1cccc([C@H](C)NC(=O)Cn2cncc(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000065232487 569119115 /nfs/dbraw/zinc/11/91/15/569119115.db2.gz VYEJZXWUBVOSRH-INIZCTEOSA-N 0 0 446.532 3.920 50 0 IHAARN COc1ccc(C)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2C ZINC000065235554 569119212 /nfs/dbraw/zinc/11/92/12/569119212.db2.gz OKZKAQNNRDERFR-UHFFFAOYSA-N 0 0 428.920 3.861 50 0 biogenic IHAARN CCc1csc(-c2ccc(N3CCN(C(=O)c4ccc(OC)c(F)c4)CC3)nc2)n1 ZINC000065240764 569120894 /nfs/dbraw/zinc/12/08/94/569120894.db2.gz UAXGFDVSGXKTFA-UHFFFAOYSA-N 0 0 426.517 3.878 50 0 IHAARN Cc1cccc(N2CCN(C(=O)CC[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)CC2)c1 ZINC000065245285 569121487 /nfs/dbraw/zinc/12/14/87/569121487.db2.gz PFCBZBKCYGBMBE-OAQYLSRUSA-N 0 0 448.615 3.705 50 0 IHAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000036601969 569121784 /nfs/dbraw/zinc/12/17/84/569121784.db2.gz QXRIMOQDJPEFPI-IIBYNOLFSA-N 0 0 447.564 3.943 50 0 IHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nnc(C5CCCC5)o4)co3)CC2)c1 ZINC000065246702 569121966 /nfs/dbraw/zinc/12/19/66/569121966.db2.gz FWWDJEYSJVEVIP-UHFFFAOYSA-N 0 0 442.541 3.807 50 0 IHAARN Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000065251211 569122307 /nfs/dbraw/zinc/12/23/07/569122307.db2.gz YVCYQYUPHUUFLA-UHFFFAOYSA-N 0 0 426.480 3.702 50 0 IHAARN Cc1noc(-c2ccc(-n3ncc(C(=O)N4CC=C(c5ccccc5)CC4)c3C)nc2)n1 ZINC000065251416 569122339 /nfs/dbraw/zinc/12/23/39/569122339.db2.gz OFADAYPNFXWGBT-UHFFFAOYSA-N 0 0 426.480 3.864 50 0 IHAARN Cc1c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c(=O)n(-c2ccccc2)n1C ZINC000036616219 569122752 /nfs/dbraw/zinc/12/27/52/569122752.db2.gz SWELVQQHMHYJEX-UHFFFAOYSA-N 0 0 438.491 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1 ZINC000013129405 569125328 /nfs/dbraw/zinc/12/53/28/569125328.db2.gz YPBPWPPEAWOCPY-JOCHJYFZSA-N 0 0 425.506 3.967 50 0 IHAARN COc1cccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)c1OC ZINC000065265964 569127241 /nfs/dbraw/zinc/12/72/41/569127241.db2.gz AHIBMTDAJSKKKG-VWLOTQADSA-N 0 0 436.556 3.510 50 0 IHAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000524735608 569128174 /nfs/dbraw/zinc/12/81/74/569128174.db2.gz NCNANDITVUAECD-QFIPXVFZSA-N 0 0 427.545 3.891 50 0 IHAARN O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000036636412 569128252 /nfs/dbraw/zinc/12/82/52/569128252.db2.gz CDLUAPYDBPRUJO-FUHWJXTLSA-N 0 0 426.900 3.828 50 0 IHAARN COc1ccc(NC(=O)N(C)c2nc3c(s2)CN(Cc2ccccc2)C3=O)cc1OC ZINC000065273954 569128297 /nfs/dbraw/zinc/12/82/97/569128297.db2.gz JPAJHCMEPMEGPU-UHFFFAOYSA-N 0 0 438.509 3.985 50 0 IHAARN Cc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)cc1C ZINC000065273638 569129868 /nfs/dbraw/zinc/12/98/68/569129868.db2.gz WFPUFXWZKHDRQR-GOSISDBHSA-N 0 0 440.613 3.808 50 0 IHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000065289714 569130755 /nfs/dbraw/zinc/13/07/55/569130755.db2.gz XVCPZVFCPGKDOH-IBGZPJMESA-N 0 0 440.540 3.570 50 0 IHAARN COCCn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000065293007 569130887 /nfs/dbraw/zinc/13/08/87/569130887.db2.gz JBXNVWRDIZVPLA-QGZVFWFLSA-N 0 0 442.585 3.553 50 0 IHAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3cc(F)cc(F)c3)sc12 ZINC000065294074 569131199 /nfs/dbraw/zinc/13/11/99/569131199.db2.gz KHFOBJWXPFHONE-UHFFFAOYSA-N 0 0 427.480 3.821 50 0 IHAARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1 ZINC000065298557 569131998 /nfs/dbraw/zinc/13/19/98/569131998.db2.gz GFXIDRDVABZARN-HXUWFJFHSA-N 0 0 427.932 3.917 50 0 biogenic IHAARN O=C(Cc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000065307582 569132412 /nfs/dbraw/zinc/13/24/12/569132412.db2.gz MPSJPVOZQVKSLF-QHCPKHFHSA-N 0 0 444.510 3.657 50 0 IHAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3cccc(CC)c3)nn2)CC1 ZINC000065315293 569134034 /nfs/dbraw/zinc/13/40/34/569134034.db2.gz XGXXYWZSYRXLBC-UHFFFAOYSA-N 0 0 441.601 3.512 50 0 IHAARN CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1 ZINC000036704664 569134186 /nfs/dbraw/zinc/13/41/86/569134186.db2.gz WVKDOXIETDZLKF-UHFFFAOYSA-N 0 0 425.457 3.903 50 0 IHAARN O=C(c1ccc2nsnc2c1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000036704701 569134255 /nfs/dbraw/zinc/13/42/55/569134255.db2.gz KKHSCGWGFKDSAR-UHFFFAOYSA-N 0 0 439.541 3.912 50 0 IHAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1C ZINC000065318844 569134492 /nfs/dbraw/zinc/13/44/92/569134492.db2.gz ZDRREVNPDJDVCD-UHFFFAOYSA-N 0 0 440.525 3.699 50 0 IHAARN Cc1ccc(NC(=O)CSc2nc3nc(N4CCCCC4)sc3c(=O)n2C)c(C)c1 ZINC000065319469 569134928 /nfs/dbraw/zinc/13/49/28/569134928.db2.gz XRQSUSDVPUUVAS-UHFFFAOYSA-N 0 0 443.598 3.728 50 0 IHAARN Cc1ccc(CNC(=O)NCCC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000065315118 569135754 /nfs/dbraw/zinc/13/57/54/569135754.db2.gz CMKCAEOJPUBAAP-UHFFFAOYSA-N 0 0 429.586 3.594 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1NC(=O)c1ccccc1F ZINC000036709576 569135819 /nfs/dbraw/zinc/13/58/19/569135819.db2.gz XSTNZBSLIQKDMT-UHFFFAOYSA-N 0 0 426.469 3.881 50 0 IHAARN CCn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(C)cc1C ZINC000065319833 569136012 /nfs/dbraw/zinc/13/60/12/569136012.db2.gz DZPPPAVUCHESKV-UHFFFAOYSA-N 0 0 443.598 3.821 50 0 IHAARN O=C(CSCc1ccccc1)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 ZINC000036709920 569136113 /nfs/dbraw/zinc/13/61/13/569136113.db2.gz JFMKEGXRGZWXQI-UHFFFAOYSA-N 0 0 430.624 3.633 50 0 IHAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 ZINC000007287484 569138668 /nfs/dbraw/zinc/13/86/68/569138668.db2.gz QLOFPBQIQDUCBK-UHFFFAOYSA-N 0 0 425.554 3.574 50 0 IHAARN Cc1nc(COc2cccc(C(=O)OCC(=O)N(C)Cc3ccccc3F)c2)cs1 ZINC000036883354 569138709 /nfs/dbraw/zinc/13/87/09/569138709.db2.gz NKCOBGKGZKNFJI-UHFFFAOYSA-N 0 0 428.485 3.985 50 0 IHAARN COCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000065532340 569139405 /nfs/dbraw/zinc/13/94/05/569139405.db2.gz QPYMTOANEXMUEM-IBGZPJMESA-N 0 0 425.286 3.716 50 0 IHAARN CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc(F)cc3Cl)c(=O)n2n1 ZINC000065535045 569139506 /nfs/dbraw/zinc/13/95/06/569139506.db2.gz ASJPGFWDIXHJGM-UHFFFAOYSA-N 0 0 430.867 3.855 50 0 IHAARN CC(C)(C)OC(=O)NCCCOC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC000065538940 569139509 /nfs/dbraw/zinc/13/95/09/569139509.db2.gz ZZOVQIUHZKARHU-UHFFFAOYSA-N 0 0 437.493 3.535 50 0 IHAARN CCn1c(SCC(=O)N[C@](C)(C(=O)OC)c2ccccc2)nnc1-c1ccccc1C ZINC000065589180 569139913 /nfs/dbraw/zinc/13/99/13/569139913.db2.gz OTNGTKLTXZDOOX-QHCPKHFHSA-N 0 0 438.553 3.570 50 0 IHAARN CC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000170595206 569141430 /nfs/dbraw/zinc/14/14/30/569141430.db2.gz MVYPPLVKFOEXJS-CQSZACIVSA-N 0 0 443.935 3.606 50 0 IHAARN Cc1cc(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000170596513 569142160 /nfs/dbraw/zinc/14/21/60/569142160.db2.gz IFNNCVHTFTXKEJ-CYBMUJFWSA-N 0 0 435.450 3.990 50 0 IHAARN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 ZINC000170615024 569146528 /nfs/dbraw/zinc/14/65/28/569146528.db2.gz REQFSQPEMMSFAC-UHFFFAOYSA-N 0 0 432.586 3.902 50 0 IHAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000170616351 569146603 /nfs/dbraw/zinc/14/66/03/569146603.db2.gz JQICSIJGFOGOFL-LBPRGKRZSA-N 0 0 436.331 3.887 50 0 IHAARN Brc1ccccc1CN1CCC([NH2+]Cc2ccc(CN3CCOCC3)o2)CC1 ZINC000170616017 569146787 /nfs/dbraw/zinc/14/67/87/569146787.db2.gz JNYOTOSEELZYDH-UHFFFAOYSA-N 0 0 448.405 3.629 50 0 IHAARN Cc1c2nnc(C(F)(F)F)n2nc(N2CCN(c3cncc4ccccc43)CC2)c1C ZINC000170619672 569147579 /nfs/dbraw/zinc/14/75/79/569147579.db2.gz WRXILWMKNDYVAX-UHFFFAOYSA-N 0 0 427.434 3.635 50 0 IHAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009757780 569148983 /nfs/dbraw/zinc/14/89/83/569148983.db2.gz MHGDZUSNDZGFRK-FQEVSTJZSA-N 0 0 433.961 3.507 50 0 IHAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009757779 569149043 /nfs/dbraw/zinc/14/90/43/569149043.db2.gz MHGDZUSNDZGFRK-HXUWFJFHSA-N 0 0 433.961 3.507 50 0 IHAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc(O)cc1O ZINC000009881181 569149465 /nfs/dbraw/zinc/14/94/65/569149465.db2.gz VYRMVCANXDBPSX-UHFFFAOYSA-N 0 0 442.516 3.779 50 0 IHAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1ccccc1=O ZINC000009883172 569149903 /nfs/dbraw/zinc/14/99/03/569149903.db2.gz LPIHUBTXJYYKSC-UHFFFAOYSA-N 0 0 435.480 3.537 50 0 IHAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnn(Cc2ccccc2)c1 ZINC000009883728 569150152 /nfs/dbraw/zinc/15/01/52/569150152.db2.gz ADYNYFRMMHGHCH-UHFFFAOYSA-N 0 0 438.553 3.748 50 0 IHAARN O=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1nc2ccccc2[nH]1 ZINC000009884181 569150322 /nfs/dbraw/zinc/15/03/22/569150322.db2.gz CZDSOLWWTXWHIA-SFHVURJKSA-N 0 0 438.919 3.994 50 0 IHAARN O=C(Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1CO)Nc1ccc2cc[nH]c2c1 ZINC000071284330 569150746 /nfs/dbraw/zinc/15/07/46/569150746.db2.gz DHVPEEFDFJHLBW-UHFFFAOYSA-N 0 0 437.883 3.693 50 0 IHAARN CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccoc1C ZINC000010028564 569151800 /nfs/dbraw/zinc/15/18/00/569151800.db2.gz VMIQISPCTCQLRT-UHFFFAOYSA-N 0 0 425.514 3.724 50 0 IHAARN Cc1ccc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C(C)C)cc1 ZINC000010027798 569151819 /nfs/dbraw/zinc/15/18/19/569151819.db2.gz YGDKTZUNFVKQEN-QFIPXVFZSA-N 0 0 436.556 3.562 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)n1 ZINC000010036776 569151916 /nfs/dbraw/zinc/15/19/16/569151916.db2.gz YJRYGNACZHHWCL-INIZCTEOSA-N 0 0 449.496 3.694 50 0 IHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1nnc(C(F)(F)F)s1 ZINC000010059420 569152178 /nfs/dbraw/zinc/15/21/78/569152178.db2.gz GKHGERYIESDKLL-UHFFFAOYSA-N 0 0 436.415 3.779 50 0 IHAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(Br)cc1 ZINC000010216898 569153266 /nfs/dbraw/zinc/15/32/66/569153266.db2.gz BRTSFVDKTLNPTL-UHFFFAOYSA-N 0 0 434.359 3.640 50 0 IHAARN O=C(Nc1ccc2scnc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010217671 569153395 /nfs/dbraw/zinc/15/33/95/569153395.db2.gz AVSLXRHANVOQBB-LBPRGKRZSA-N 0 0 427.960 3.803 50 0 IHAARN CCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217758 569153396 /nfs/dbraw/zinc/15/33/96/569153396.db2.gz OZIITMQIDHQDAT-UHFFFAOYSA-N 0 0 428.916 3.911 50 0 IHAARN COc1cc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2cc1OC ZINC000010219013 569153604 /nfs/dbraw/zinc/15/36/04/569153604.db2.gz DOKFNBPRUTWXBS-UHFFFAOYSA-N 0 0 438.502 3.645 50 0 IHAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000010219007 569153634 /nfs/dbraw/zinc/15/36/34/569153634.db2.gz BCNDXJHVILTVDN-UHFFFAOYSA-N 0 0 443.500 3.947 50 0 IHAARN COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000010219468 569153709 /nfs/dbraw/zinc/15/37/09/569153709.db2.gz PNBXKEKFZALBOW-UHFFFAOYSA-N 0 0 444.534 3.824 50 0 IHAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000010219294 569153748 /nfs/dbraw/zinc/15/37/48/569153748.db2.gz UMLXXFQGYUUELI-UHFFFAOYSA-N 0 0 428.944 3.946 50 0 IHAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)C(=O)N1CCCC1 ZINC000071819793 569154681 /nfs/dbraw/zinc/15/46/81/569154681.db2.gz QRIIMHWVLHKDGS-UHFFFAOYSA-N 0 0 432.249 3.957 50 0 IHAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000010460820 569154786 /nfs/dbraw/zinc/15/47/86/569154786.db2.gz VLCVMSPFPWQZDO-UHFFFAOYSA-N 0 0 441.915 3.581 50 0 IHAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccccc1Cl ZINC000013572291 569155761 /nfs/dbraw/zinc/15/57/61/569155761.db2.gz OAGONESMOARMDR-KGLIPLIRSA-N 0 0 433.986 3.578 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696189 569156585 /nfs/dbraw/zinc/15/65/85/569156585.db2.gz SKYDFMIJSPNQQC-UHFFFAOYSA-N 0 0 441.534 3.710 50 0 IHAARN COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)c1 ZINC000013659175 569156587 /nfs/dbraw/zinc/15/65/87/569156587.db2.gz VTMWQWQOGQENER-UHFFFAOYSA-N 0 0 438.915 3.777 50 0 IHAARN Cc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000013854975 569157304 /nfs/dbraw/zinc/15/73/04/569157304.db2.gz DKRSOFDCCULORZ-UHFFFAOYSA-N 0 0 437.446 3.685 50 0 IHAARN C[C@@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000014171090 569157928 /nfs/dbraw/zinc/15/79/28/569157928.db2.gz VQSRDBGXYVSVMU-CRAIPNDOSA-N 0 0 448.504 3.876 50 0 IHAARN Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)cc1 ZINC000251449584 569158903 /nfs/dbraw/zinc/15/89/03/569158903.db2.gz CFXKFDBVNRLNNP-ZLNRFVROSA-N 0 0 443.478 3.702 50 0 IHAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)ccc1OC(C)C ZINC000014625722 569159610 /nfs/dbraw/zinc/15/96/10/569159610.db2.gz SUAARZIPXSEDGZ-MOSHPQCFSA-N 0 0 440.521 3.949 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000089781040 569163016 /nfs/dbraw/zinc/16/30/16/569163016.db2.gz PHTGNKBIXLQHLA-FGZHOGPDSA-N 0 0 429.561 3.895 50 0 IHAARN O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000089787575 569163078 /nfs/dbraw/zinc/16/30/78/569163078.db2.gz SAPCPGVOUUOALM-CYBMUJFWSA-N 0 0 444.297 3.695 50 0 IHAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000016847939 569164172 /nfs/dbraw/zinc/16/41/72/569164172.db2.gz ITUWIGPCKATFJN-MRXNPFEDSA-N 0 0 449.985 3.907 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000016850428 569164652 /nfs/dbraw/zinc/16/46/52/569164652.db2.gz DPFCCVOVVWZCPV-INIZCTEOSA-N 0 0 443.594 3.970 50 0 IHAARN C[C@H](CCc1ccccc1)NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 ZINC000016851346 569165023 /nfs/dbraw/zinc/16/50/23/569165023.db2.gz FESXVNTWMQNZQT-MRXNPFEDSA-N 0 0 425.529 3.881 50 0 IHAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)NC1CCCCCCC1 ZINC000089830209 569165435 /nfs/dbraw/zinc/16/54/35/569165435.db2.gz FDNDMGCLNGDQRV-UHFFFAOYSA-N 0 0 447.579 3.992 50 0 IHAARN COc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)nc1I ZINC000089887907 569166709 /nfs/dbraw/zinc/16/67/09/569166709.db2.gz WLPVEFJCCUHZHG-UHFFFAOYSA-N 0 0 440.281 3.550 50 0 IHAARN COc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000016944597 569166908 /nfs/dbraw/zinc/16/69/08/569166908.db2.gz MGQRHHXMWXCAMT-OAHLLOKOSA-N 0 0 441.427 3.680 50 0 IHAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccccc4)nc3SC)n2)cc1 ZINC000016954847 569167612 /nfs/dbraw/zinc/16/76/12/569167612.db2.gz RULLXOCFXRVBED-UHFFFAOYSA-N 0 0 436.497 3.552 50 0 IHAARN Cc1nn(C(=O)c2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000016976272 569168825 /nfs/dbraw/zinc/16/88/25/569168825.db2.gz ROYOTJNCWHFIBI-UHFFFAOYSA-N 0 0 440.363 3.516 50 0 IHAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000016980815 569169168 /nfs/dbraw/zinc/16/91/68/569169168.db2.gz HKEAPTWATOHTTI-UHFFFAOYSA-N 0 0 433.434 3.779 50 0 IHAARN CCOC(=O)CN(Cc1cc(=O)n2ccccc2n1)[C@H](C)c1cccc(Br)c1 ZINC000089983744 569170002 /nfs/dbraw/zinc/17/00/02/569170002.db2.gz GPVFIWPMPRJNLL-OAHLLOKOSA-N 0 0 444.329 3.583 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Oc2ccc(Cl)c3ccccc23)cc1 ZINC000014739873 569170763 /nfs/dbraw/zinc/17/07/63/569170763.db2.gz VVBOAIBDTZVSBM-UHFFFAOYSA-N 0 0 446.912 3.678 50 0 IHAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000037355915 569171141 /nfs/dbraw/zinc/17/11/41/569171141.db2.gz HEJDFQZVRXLFIP-HNNXBMFYSA-N 0 0 442.441 3.966 50 0 IHAARN Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C ZINC000017053300 569171972 /nfs/dbraw/zinc/17/19/72/569171972.db2.gz DCJPBRKAIYQCOR-MRXNPFEDSA-N 0 0 446.554 3.597 50 0 IHAARN Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C ZINC000017053103 569172045 /nfs/dbraw/zinc/17/20/45/569172045.db2.gz DLWCFLQRHOQWOA-UHFFFAOYSA-N 0 0 430.530 3.735 50 0 IHAARN O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(Cl)c1 ZINC000017150016 569174967 /nfs/dbraw/zinc/17/49/67/569174967.db2.gz LGYHHWDDSYYEHV-UHFFFAOYSA-N 0 0 436.921 3.771 50 0 IHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1 ZINC000000894699 569176292 /nfs/dbraw/zinc/17/62/92/569176292.db2.gz YDAQDVGUUABTPR-UHFFFAOYSA-N 0 0 440.525 3.610 50 0 IHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000017270192 569176964 /nfs/dbraw/zinc/17/69/64/569176964.db2.gz LCMUNQYVVRKYHB-UHFFFAOYSA-N 0 0 433.555 3.978 50 0 IHAARN COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002072087 569177001 /nfs/dbraw/zinc/17/70/01/569177001.db2.gz MKJPSPWANYVPCA-OQLLNIDSSA-N 0 0 438.914 3.563 50 0 IHAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)Nc1nccs1 ZINC000002876303 569177605 /nfs/dbraw/zinc/17/76/05/569177605.db2.gz GJNDCVRTVKVKRD-UHFFFAOYSA-N 0 0 444.563 3.775 50 0 IHAARN COCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002088245 569178444 /nfs/dbraw/zinc/17/84/44/569178444.db2.gz XSTPUQWYWMEPSR-UONOGXRCSA-N 0 0 447.255 3.682 50 0 IHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N23)c1 ZINC000002100437 569179709 /nfs/dbraw/zinc/17/97/09/569179709.db2.gz APWUDJAWEKHNEF-WIOPSUGQSA-N 0 0 429.520 3.804 50 0 biogenic IHAARN COc1ccc(C2=NO[C@H](C(=O)c3ccccc3)[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000002114950 569182356 /nfs/dbraw/zinc/18/23/56/569182356.db2.gz PCGRSFBRAKJUFB-ILBGXUMGSA-N 0 0 428.444 3.580 50 0 biogenic IHAARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000002116472 569182426 /nfs/dbraw/zinc/18/24/26/569182426.db2.gz SPEZJZNDUGDVFQ-ADVUTCEVSA-N 0 0 429.479 3.905 50 0 IHAARN COc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119405 569182791 /nfs/dbraw/zinc/18/27/91/569182791.db2.gz PNZVVNMGDOMIBA-WBVHZDCISA-N 0 0 431.286 3.636 50 0 biogenic IHAARN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002132315 569185038 /nfs/dbraw/zinc/18/50/38/569185038.db2.gz GJGJKMRTUVQHMH-QGZVFWFLSA-N 0 0 433.526 3.834 50 0 biogenic IHAARN COc1ccc(-c2csc(NC(=O)[C@H](Sc3nnnn3C)c3ccccc3)n2)cc1 ZINC000252489119 569186662 /nfs/dbraw/zinc/18/66/62/569186662.db2.gz JFYKEVQZOUBADK-QGZVFWFLSA-N 0 0 438.538 3.814 50 0 IHAARN CCCc1cc(=O)oc2c(C)c(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002152159 569187276 /nfs/dbraw/zinc/18/72/76/569187276.db2.gz QKHGTQSNSUIIFF-UHFFFAOYSA-N 0 0 443.521 3.636 50 0 biogenic IHAARN Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000002195138 569191302 /nfs/dbraw/zinc/19/13/02/569191302.db2.gz PHPLQFPFPFAINY-HNNXBMFYSA-N 0 0 435.915 3.777 50 0 IHAARN COCCN(Cc1cc(Cl)ccc1OS(C)(=O)=O)C(=O)c1ccccc1Cl ZINC000037423066 569195555 /nfs/dbraw/zinc/19/55/55/569195555.db2.gz ZSEFRPXPOPOAPN-UHFFFAOYSA-N 0 0 432.325 3.621 50 0 IHAARN CCNC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1 ZINC000037403382 569194894 /nfs/dbraw/zinc/19/48/94/569194894.db2.gz AEOJRLHNQBZVKS-UHFFFAOYSA-N 0 0 444.509 3.788 50 0 IHAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(=O)c2ccccc2F)ccc1OC ZINC000037400849 569195019 /nfs/dbraw/zinc/19/50/19/569195019.db2.gz CHUDTXJPWORGON-UHFFFAOYSA-N 0 0 447.484 3.998 50 0 IHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)cc1 ZINC000170688106 569195508 /nfs/dbraw/zinc/19/55/08/569195508.db2.gz VVRDEEXMFFSMMD-UHFFFAOYSA-N 0 0 444.479 3.644 50 0 IHAARN O=C(CCN(C(=O)c1csc(Nc2ccccc2Cl)n1)C1CC1)NC[C@@H]1CCCO1 ZINC000037427281 569195864 /nfs/dbraw/zinc/19/58/64/569195864.db2.gz VQKMQDJWCHPKRF-HNNXBMFYSA-N 0 0 448.976 3.830 50 0 IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)Nc1cccc(Cl)c1)C[C@H]1CSCN12 ZINC000037447573 569197126 /nfs/dbraw/zinc/19/71/26/569197126.db2.gz MZJFYNGCIICUDX-ZJBJCVSYSA-N 0 0 427.957 3.935 50 0 biogenic IHAARN CCN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)Nc1cccc(Cl)c1)C[C@H]1CSCN12 ZINC000037447577 569197179 /nfs/dbraw/zinc/19/71/79/569197179.db2.gz MZJFYNGCIICUDX-CECAUBDESA-N 0 0 427.957 3.935 50 0 biogenic IHAARN COC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252617459 569197836 /nfs/dbraw/zinc/19/78/36/569197836.db2.gz KTENBXQFCAFJKA-CNFATJJJSA-N 0 0 442.540 3.738 50 0 IHAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037526319 569199096 /nfs/dbraw/zinc/19/90/96/569199096.db2.gz LNLNTMVJQJCGFI-KRWDZBQOSA-N 0 0 447.576 3.549 50 0 IHAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N1CCOCC1 ZINC000037603059 569202472 /nfs/dbraw/zinc/20/24/72/569202472.db2.gz ODFVENRMSWZRPU-LOSJGSFVSA-N 0 0 448.563 3.587 50 0 IHAARN COc1ccc(/C=C/C(=O)N2C[C@H](C)N(C(=O)/C=C\c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000252625077 569203017 /nfs/dbraw/zinc/20/30/17/569203017.db2.gz QCJLCFDQRHLDBA-PIWSOGHCSA-N 0 0 434.536 3.878 50 0 IHAARN COc1ccc(/C=C\C(=O)N2C[C@H](C)N(C(=O)/C=C\c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000252625076 569203082 /nfs/dbraw/zinc/20/30/82/569203082.db2.gz QCJLCFDQRHLDBA-MSSNZXHYSA-N 0 0 434.536 3.878 50 0 IHAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)o2)cc1 ZINC000252670718 569209929 /nfs/dbraw/zinc/20/99/29/569209929.db2.gz LNIRKGOQIGTSCS-FSSWDIPSSA-N 0 0 429.520 3.856 50 0 IHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000015175572 569210541 /nfs/dbraw/zinc/21/05/41/569210541.db2.gz GBASOQKFEQCAOX-UHFFFAOYSA-N 0 0 437.315 3.730 50 0 IHAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 ZINC000002231596 569210620 /nfs/dbraw/zinc/21/06/20/569210620.db2.gz NQDWLJXYRCCWIN-IRXDYDNUSA-N 0 0 437.887 3.740 50 0 IHAARN NC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000252679553 569210689 /nfs/dbraw/zinc/21/06/89/569210689.db2.gz ODRWANFPVPQWFE-OFQRWUPVSA-N 0 0 441.247 3.914 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)cc1 ZINC000002233412 569210767 /nfs/dbraw/zinc/21/07/67/569210767.db2.gz DHAZXZSUYTZQSM-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN Cc1ccc(C)c(CS(=O)(=O)c2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1 ZINC000002410338 569211261 /nfs/dbraw/zinc/21/12/61/569211261.db2.gz MMLQDUHQUQBTLV-UHFFFAOYSA-N 0 0 437.562 3.898 50 0 IHAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007905025 569211308 /nfs/dbraw/zinc/21/13/08/569211308.db2.gz BUFLOIZMYAASNO-UHFFFAOYSA-N 0 0 425.558 3.894 50 0 IHAARN CN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccccc1 ZINC000002238952 569212862 /nfs/dbraw/zinc/21/28/62/569212862.db2.gz GGJHFTOTMWVTIK-HHHXNRCGSA-N 0 0 436.467 3.712 50 0 IHAARN Cc1cccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)c1 ZINC000002260448 569215729 /nfs/dbraw/zinc/21/57/29/569215729.db2.gz XCNQVQPHTOQOSF-UHFFFAOYSA-N 0 0 427.504 3.913 50 0 IHAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1N ZINC000002265192 569216140 /nfs/dbraw/zinc/21/61/40/569216140.db2.gz KEBQKYVBNBABPY-UHFFFAOYSA-N 0 0 432.347 3.769 50 0 IHAARN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000253433127 569269336 /nfs/dbraw/zinc/26/93/36/569269336.db2.gz SLYIYKUKHPONNR-AAEUAGOBSA-N 0 0 428.396 3.940 50 0 IHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000043735307 569257802 /nfs/dbraw/zinc/25/78/02/569257802.db2.gz ZRFGYEOLMPCITA-SDDDUWNISA-N 0 0 439.343 3.961 50 0 IHAARN COC(=O)C[C@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O ZINC000253397956 569264705 /nfs/dbraw/zinc/26/47/05/569264705.db2.gz BTWIHGAFUIOEQO-HXUWFJFHSA-N 0 0 431.492 3.676 50 0 biogenic IHAARN Cc1ccc(-c2nc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)cs2)c(C)c1 ZINC000253397641 569264777 /nfs/dbraw/zinc/26/47/77/569264777.db2.gz IQJJNCYNNJTJPO-UHFFFAOYSA-N 0 0 425.476 3.958 50 0 IHAARN O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000253408269 569265569 /nfs/dbraw/zinc/26/55/69/569265569.db2.gz XJYXYWIIMVMLKR-YZGWKJHDSA-N 0 0 441.471 3.987 50 0 IHAARN CS(=O)(=O)N1CC[C@@H](CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1 ZINC000253425813 569267218 /nfs/dbraw/zinc/26/72/18/569267218.db2.gz IUOGGRFMUMHAPA-QGZVFWFLSA-N 0 0 446.573 3.506 50 0 IHAARN O=C(NCc1ccccc1)NC(NC(=O)c1cccs1)(C(F)(F)F)C(F)(F)F ZINC000002349334 569282114 /nfs/dbraw/zinc/28/21/14/569282114.db2.gz ZLNWHWBALLDMQD-UHFFFAOYSA-N 0 0 425.354 3.798 50 0 IHAARN CC(C)n1c(CCCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000253535830 569284183 /nfs/dbraw/zinc/28/41/83/569284183.db2.gz GJRMLFJOGONTBI-HXUWFJFHSA-N 0 0 447.539 3.846 50 0 IHAARN O=C(Nc1cn2c(cccc2Br)n1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000253630174 569284448 /nfs/dbraw/zinc/28/44/48/569284448.db2.gz VGMSTPNAXBYHTG-IBGZPJMESA-N 0 0 427.302 3.789 50 0 IHAARN Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000002355672 569285845 /nfs/dbraw/zinc/28/58/45/569285845.db2.gz GINGTQMYYDIKDJ-UHFFFAOYSA-N 0 0 430.267 3.975 50 0 IHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000002359476 569286081 /nfs/dbraw/zinc/28/60/81/569286081.db2.gz ONPYTULOIBDXEF-UHFFFAOYSA-N 0 0 433.258 3.987 50 0 IHAARN COc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2n1 ZINC000002366242 569288434 /nfs/dbraw/zinc/28/84/34/569288434.db2.gz LKQRSZHTPZVPAL-BKUYFWCQSA-N 0 0 443.484 3.837 50 0 IHAARN CCCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC ZINC000002380789 569291753 /nfs/dbraw/zinc/29/17/53/569291753.db2.gz FFMFCBBDDOGTPD-SANMLTNESA-N 0 0 446.503 3.676 50 0 IHAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)n2N)cc1OC ZINC000002387189 569295232 /nfs/dbraw/zinc/29/52/32/569295232.db2.gz QYXULQIUDNUFRO-UHFFFAOYSA-N 0 0 447.948 3.677 50 0 IHAARN Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009721438 569297803 /nfs/dbraw/zinc/29/78/03/569297803.db2.gz DJLFXVUKXKEJQY-JXMROGBWSA-N 0 0 430.551 3.800 50 0 IHAARN CSc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000002394007 569298042 /nfs/dbraw/zinc/29/80/42/569298042.db2.gz MIXYMWXJLLYWPB-GDNBJRDFSA-N 0 0 430.352 3.850 50 0 IHAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(c4ccccc4)CC2)[C@@H]3CCC1 ZINC000055220739 569298677 /nfs/dbraw/zinc/29/86/77/569298677.db2.gz VXNXXHMIKHFYCZ-RUZDIDTESA-N 0 0 428.580 3.992 50 0 IHAARN O=C(Nc1ccc(Br)cc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000012995605 569306052 /nfs/dbraw/zinc/30/60/52/569306052.db2.gz GIOCHISGEKTIPX-UHFFFAOYSA-N 0 0 429.361 3.938 50 0 IHAARN CC(C)OCCCNC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc21 ZINC000002441204 569304119 /nfs/dbraw/zinc/30/41/19/569304119.db2.gz HVEIDHKZKCCYOH-UHFFFAOYSA-N 0 0 427.549 3.527 50 0 IHAARN COc1ccccc1CNC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000013028920 569307327 /nfs/dbraw/zinc/30/73/27/569307327.db2.gz FBWBDMGIGJDQPH-UHFFFAOYSA-N 0 0 447.578 3.802 50 0 IHAARN O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1C(F)(F)F ZINC000013036697 569307504 /nfs/dbraw/zinc/30/75/04/569307504.db2.gz YNTIJDAIUYZHHW-UHFFFAOYSA-N 0 0 433.777 3.638 50 0 IHAARN CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000013041575 569308095 /nfs/dbraw/zinc/30/80/95/569308095.db2.gz MBNKIEUPKBRBJM-UHFFFAOYSA-N 0 0 434.968 3.695 50 0 IHAARN CCCCn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2c1=O ZINC000013041432 569308185 /nfs/dbraw/zinc/30/81/85/569308185.db2.gz WTEQSZZJEWLALT-UHFFFAOYSA-N 0 0 438.959 3.808 50 0 IHAARN O=C(OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2)C1=COCCO1 ZINC000013070502 569308918 /nfs/dbraw/zinc/30/89/18/569308918.db2.gz HRMSJMHPWNBUPY-HXUWFJFHSA-N 0 0 433.254 3.988 50 0 IHAARN CC1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)oc2=S)CC1 ZINC000013072667 569309147 /nfs/dbraw/zinc/30/91/47/569309147.db2.gz VADZLPANOTXUFH-UHFFFAOYSA-N 0 0 436.603 3.737 50 0 IHAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000013112440 569310531 /nfs/dbraw/zinc/31/05/31/569310531.db2.gz WCDQVTYJXRQYRG-QGZVFWFLSA-N 0 0 432.542 3.584 50 0 IHAARN Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000013113077 569310657 /nfs/dbraw/zinc/31/06/57/569310657.db2.gz NUKUKHJBOYLWFX-UHFFFAOYSA-N 0 0 428.485 3.744 50 0 IHAARN Cc1cc(C)nc(SC2=C(Nc3ccccc3O)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000013149251 569312120 /nfs/dbraw/zinc/31/21/20/569312120.db2.gz MLDKLXCHSQEUEX-UHFFFAOYSA-N 0 0 446.532 3.826 50 0 IHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(CC(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013149735 569312265 /nfs/dbraw/zinc/31/22/65/569312265.db2.gz QSGUQAMJVDLCKG-SFHVURJKSA-N 0 0 435.524 3.867 50 0 IHAARN COc1ccc(CNC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000013165011 569312510 /nfs/dbraw/zinc/31/25/10/569312510.db2.gz XODQREGZQCWOKD-UHFFFAOYSA-N 0 0 433.537 3.972 50 0 IHAARN O=C(Nc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1)c1ccccc1Cl ZINC000013352132 569313312 /nfs/dbraw/zinc/31/33/12/569313312.db2.gz HTFUEPLAWWKZMV-UHFFFAOYSA-N 0 0 425.916 3.723 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2C[C@@H]1C ZINC000013365860 569314221 /nfs/dbraw/zinc/31/42/21/569314221.db2.gz XSIDMWBBFGAEJK-KRWDZBQOSA-N 0 0 428.554 3.794 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3C)cc2C[C@@H]1C ZINC000013365852 569314230 /nfs/dbraw/zinc/31/42/30/569314230.db2.gz NDMMHVYNPVGEIR-KRWDZBQOSA-N 0 0 428.554 3.794 50 0 IHAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1nccs1 ZINC000002461713 569316282 /nfs/dbraw/zinc/31/62/82/569316282.db2.gz PPIYPVRFRWPUHK-UHFFFAOYSA-N 0 0 429.498 3.698 50 0 IHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000078660892 569316745 /nfs/dbraw/zinc/31/67/45/569316745.db2.gz LWTGXGCDSLCNEG-HOCLYGCPSA-N 0 0 440.569 3.857 50 0 IHAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000328592892 569317287 /nfs/dbraw/zinc/31/72/87/569317287.db2.gz FEDHSCWQCBKDEV-IOASZLSFSA-N 0 0 432.546 3.789 50 0 IHAARN Ic1ccccc1-c1nnn(Cc2cc(-c3ccccc3)on2)n1 ZINC000328593252 569317292 /nfs/dbraw/zinc/31/72/92/569317292.db2.gz RGWRDUSGHIWBSO-UHFFFAOYSA-N 0 0 429.221 3.648 50 0 IHAARN Cc1cc(S(=O)(=O)N(C[C@H]2CCCO2)c2ccc(Br)cn2)c(C)s1 ZINC000328594205 569317543 /nfs/dbraw/zinc/31/75/43/569317543.db2.gz YTPZWFDDIDPYNT-CQSZACIVSA-N 0 0 431.377 3.897 50 0 IHAARN COC(=O)CN[C@H](c1ccccc1)c1cc(C)ccc1NS(=O)(=O)c1ccccc1C ZINC000328597986 569318116 /nfs/dbraw/zinc/31/81/16/569318116.db2.gz JYEGONLPWADUDH-XMMPIXPASA-N 0 0 438.549 3.956 50 0 IHAARN O=C(c1ccc(O)cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000078808797 569319209 /nfs/dbraw/zinc/31/92/09/569319209.db2.gz HQZHSTBSJROWHD-HXUWFJFHSA-N 0 0 448.441 3.991 50 0 IHAARN COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000078822332 569319415 /nfs/dbraw/zinc/31/94/15/569319415.db2.gz UJLIRIJNXPWUOV-GBXCKJPGSA-N 0 0 426.557 3.696 50 0 IHAARN O=C(NC[C@]1(O)CCSC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000078987156 569321342 /nfs/dbraw/zinc/32/13/42/569321342.db2.gz PMQLQGSGGYNFDQ-RUZDIDTESA-N 0 0 444.560 3.744 50 0 IHAARN CCOC(=O)C[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000078989213 569321478 /nfs/dbraw/zinc/32/14/78/569321478.db2.gz HXQMOJBZOPDXFF-QGZVFWFLSA-N 0 0 440.279 3.709 50 0 IHAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 ZINC000079001693 569321869 /nfs/dbraw/zinc/32/18/69/569321869.db2.gz DLCNYIVUBHSCMD-UHFFFAOYSA-N 0 0 430.570 3.530 50 0 IHAARN CCc1nc2cc(NC(=O)c3ccc4ncc(I)n4c3)ccc2o1 ZINC000079018177 569322235 /nfs/dbraw/zinc/32/22/35/569322235.db2.gz SNSMBTNRVDMSGL-UHFFFAOYSA-N 0 0 432.221 3.895 50 0 IHAARN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1 ZINC000079017754 569322238 /nfs/dbraw/zinc/32/22/38/569322238.db2.gz FBICZNDPZCQWQI-GOSISDBHSA-N 0 0 441.553 3.972 50 0 IHAARN CCOC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccc(Br)cc3)ncn2)C1 ZINC000079055808 569323621 /nfs/dbraw/zinc/32/36/21/569323621.db2.gz ZGHKITDIFVGDOQ-AWEZNQCLSA-N 0 0 433.306 3.713 50 0 IHAARN O=S1(=O)CC[C@H](Nc2ncnc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 ZINC000079109255 569326016 /nfs/dbraw/zinc/32/60/16/569326016.db2.gz SDASRWFORFLNDJ-KRWDZBQOSA-N 0 0 425.901 3.800 50 0 IHAARN CC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000079108518 569326069 /nfs/dbraw/zinc/32/60/69/569326069.db2.gz BYLONEAUOHPNPD-UIOOFZCWSA-N 0 0 446.595 3.958 50 0 IHAARN C[C@@H](N)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000019703152 569327252 /nfs/dbraw/zinc/32/72/52/569327252.db2.gz WRYJRJIDYVFXLV-SNVBAGLBSA-N 0 0 435.354 3.503 50 0 biogenic IHAARN Cc1ccc(S(=O)(=O)c2ncccc2CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000079483681 569331017 /nfs/dbraw/zinc/33/10/17/569331017.db2.gz CQSRGSGXBWBZLH-UHFFFAOYSA-N 0 0 425.529 3.684 50 0 IHAARN CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000020036731 569332783 /nfs/dbraw/zinc/33/27/83/569332783.db2.gz ONNUENNLLHDGNT-UHFFFAOYSA-N 0 0 436.961 3.843 50 0 IHAARN COc1ccc([C@H]2[C@H](C(=O)NCCC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104648 569334148 /nfs/dbraw/zinc/33/41/48/569334148.db2.gz UJXSQXJADGRHQF-PKTZIBPZSA-N 0 0 440.540 3.785 50 0 IHAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000020116436 569335129 /nfs/dbraw/zinc/33/51/29/569335129.db2.gz XCQKRLDOKFIEDZ-UHFFFAOYSA-N 0 0 446.370 3.788 50 0 IHAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000020136010 569335782 /nfs/dbraw/zinc/33/57/82/569335782.db2.gz BWCLJEPKVUTPMS-QZTJIDSGSA-N 0 0 438.572 3.603 50 0 IHAARN COc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2Cl)cc1OC ZINC000020152371 569336595 /nfs/dbraw/zinc/33/65/95/569336595.db2.gz MDECYUDCGALFCR-QHCPKHFHSA-N 0 0 430.932 3.597 50 0 IHAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccccc4-c4csc(C)n4)C3)ncn2)n1 ZINC000390826561 569353874 /nfs/dbraw/zinc/35/38/74/569353874.db2.gz NHBWECVADWNLQV-UHFFFAOYSA-N 0 0 445.552 3.786 50 0 IHAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cc1 ZINC000390831431 569354367 /nfs/dbraw/zinc/35/43/67/569354367.db2.gz RUIXRCHOVMMOGD-LJQANCHMSA-N 0 0 432.548 3.531 50 0 IHAARN CCN(CCCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)c1cccc(C)c1 ZINC000020179076 569354833 /nfs/dbraw/zinc/35/48/33/569354833.db2.gz FGJOFEWEKWLRGC-UHFFFAOYSA-N 0 0 442.991 3.919 50 0 IHAARN COCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(OC)c(OC)c1)S2 ZINC000020180258 569355053 /nfs/dbraw/zinc/35/50/53/569355053.db2.gz NRFUZVGXTVFSDN-BKUYFWCQSA-N 0 0 442.537 3.580 50 0 IHAARN CCOC(=O)C1=C(CN2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214292 569356494 /nfs/dbraw/zinc/35/64/94/569356494.db2.gz BWYPKTLLUSNBCF-WMZHIEFXSA-N 0 0 437.515 3.795 50 0 IHAARN COC(CNC(=O)[C@@H](C)[C@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O)OC ZINC000020237581 569357488 /nfs/dbraw/zinc/35/74/88/569357488.db2.gz LCSCJLOIGNEEFL-HTAPYJJXSA-N 0 0 442.581 3.682 50 0 IHAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)c1 ZINC000020241973 569358219 /nfs/dbraw/zinc/35/82/19/569358219.db2.gz KXMISFNZOIUNND-YZVOILCLSA-N 0 0 434.558 3.514 50 0 IHAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)cc1 ZINC000020355352 569361402 /nfs/dbraw/zinc/36/14/02/569361402.db2.gz CUHFDCAGFNMDOJ-PXLXIMEGSA-N 0 0 437.565 3.532 50 0 IHAARN Nc1cc(CCCNS(=O)(=O)c2ccc(Cl)c3ncccc23)nn1-c1ccccc1 ZINC000095348528 569361522 /nfs/dbraw/zinc/36/15/22/569361522.db2.gz AVRFELGTJDIMQK-UHFFFAOYSA-N 0 0 441.944 3.567 50 0 IHAARN CCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000095350308 569361831 /nfs/dbraw/zinc/36/18/31/569361831.db2.gz QWGIXMYSJJJHOD-GOSISDBHSA-N 0 0 432.590 3.984 50 0 IHAARN CCOC(=O)Nc1ccc2c(COC(=O)[C@](C)(O)[C@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000095407055 569364746 /nfs/dbraw/zinc/36/47/46/569364746.db2.gz PXYJHCBYBUCPGB-OYLFLEFRSA-N 0 0 439.464 3.959 50 0 IHAARN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000095432473 569366431 /nfs/dbraw/zinc/36/64/31/569366431.db2.gz RNMXDBLEJUHJQU-GCJKJVERSA-N 0 0 440.588 3.578 50 0 IHAARN Cc1ccc(-c2csc3ncn(CCC(=O)N4CCOc5ncc(C)cc54)c(=O)c23)cc1 ZINC000095445570 569367327 /nfs/dbraw/zinc/36/73/27/569367327.db2.gz OVHWIZQXRBAAPJ-UHFFFAOYSA-N 0 0 446.532 3.953 50 0 IHAARN O=C(Cc1cccc(F)c1)NCC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095453075 569368143 /nfs/dbraw/zinc/36/81/43/569368143.db2.gz BDIHNKLQUHEKAO-UHFFFAOYSA-N 0 0 438.330 3.530 50 0 IHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)cc2)c1 ZINC000095458559 569369188 /nfs/dbraw/zinc/36/91/88/569369188.db2.gz IFQDYAAKALJUCI-LJQANCHMSA-N 0 0 425.510 3.772 50 0 IHAARN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000095462026 569370071 /nfs/dbraw/zinc/37/00/71/569370071.db2.gz FPXQWGCPNKRUIX-OAQYLSRUSA-N 0 0 433.476 3.898 50 0 IHAARN COc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)c(NC(=O)C(C)(C)C)c1 ZINC000095466303 569370943 /nfs/dbraw/zinc/37/09/43/569370943.db2.gz AYAUOSXCQJXSPQ-UHFFFAOYSA-N 0 0 432.542 3.966 50 0 IHAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(I)cc1 ZINC000095471731 569371999 /nfs/dbraw/zinc/37/19/99/569371999.db2.gz ZFZZHZWUIBDANT-UHFFFAOYSA-N 0 0 439.640 3.925 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000095471334 569372009 /nfs/dbraw/zinc/37/20/09/569372009.db2.gz CRWQYMRQRZVRIK-HSZRJFAPSA-N 0 0 429.476 3.989 50 0 IHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nnc(CCCc3c[nH]c4ccccc34)[nH]2)c1C ZINC000095472393 569372134 /nfs/dbraw/zinc/37/21/34/569372134.db2.gz YGZHRJDZDLIZGJ-UHFFFAOYSA-N 0 0 434.500 3.835 50 0 IHAARN CC(C)n1cnc2ccc(NC(=O)CCCCCn3cnc4ccccc4c3=O)cc2c1=O ZINC000095473166 569372261 /nfs/dbraw/zinc/37/22/61/569372261.db2.gz SGFSEMKQIOSZCT-UHFFFAOYSA-N 0 0 445.523 3.886 50 0 IHAARN CC(C)c1sc(Br)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1 ZINC000095473306 569372368 /nfs/dbraw/zinc/37/23/68/569372368.db2.gz BWRYMGIZDRINFC-UHFFFAOYSA-N 0 0 448.390 3.878 50 0 IHAARN COc1ccc(C(=O)Oc2ccc([C@H]3SC(NC(C)=O)=NN3C(C)=O)cc2Cl)cc1 ZINC000020895850 569374959 /nfs/dbraw/zinc/37/49/59/569374959.db2.gz ZOZBQOCWBRGKFE-GOSISDBHSA-N 0 0 447.900 3.569 50 0 IHAARN CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Br)no2)o1 ZINC000095942964 569375568 /nfs/dbraw/zinc/37/55/68/569375568.db2.gz BAOVLPUABPKNBG-UHFFFAOYSA-N 0 0 426.292 3.836 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000095947784 569376435 /nfs/dbraw/zinc/37/64/35/569376435.db2.gz ZOLZPFPBFKWJTL-QFIPXVFZSA-N 0 0 434.565 3.663 50 0 IHAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000095992248 569378385 /nfs/dbraw/zinc/37/83/85/569378385.db2.gz QHONJENDZKVUQA-SFHVURJKSA-N 0 0 444.553 3.776 50 0 IHAARN Cc1cccc(-c2noc(SCC(=O)N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2)c1 ZINC000095993698 569378486 /nfs/dbraw/zinc/37/84/86/569378486.db2.gz IMPPEZDDMHEXQD-MRXNPFEDSA-N 0 0 432.546 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Cc1ccc(C)c(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(C)c5)c(=O)n4ccn3n2)c1 ZINC000096322562 569394733 /nfs/dbraw/zinc/39/47/33/569394733.db2.gz XUYXVAUYSQZVIZ-UHFFFAOYSA-N 0 0 440.507 3.683 50 0 IHAARN COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(SC)cc4)no3)n2)cc1OC ZINC000096322861 569394931 /nfs/dbraw/zinc/39/49/31/569394931.db2.gz GUKBVIVFQFEXQV-UHFFFAOYSA-N 0 0 436.493 3.748 50 0 IHAARN CC[C@H](C(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)c(C)c3)n2)CC1)c1ccccc1 ZINC000096324198 569395732 /nfs/dbraw/zinc/39/57/32/569395732.db2.gz PGLCKINWQGINFE-QHCPKHFHSA-N 0 0 430.552 3.692 50 0 IHAARN O=C(Cc1cccs1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000096327389 569396333 /nfs/dbraw/zinc/39/63/33/569396333.db2.gz XDJLOVWWLCVIHG-UHFFFAOYSA-N 0 0 432.343 3.519 50 0 IHAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Cl)c3C)CC2)nc2cccnc21 ZINC000096333191 569396505 /nfs/dbraw/zinc/39/65/05/569396505.db2.gz SEYCDVFJBRVTIA-UHFFFAOYSA-N 0 0 440.935 3.564 50 0 IHAARN COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 ZINC000096335787 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CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc3c(c2)OCO3)c1C ZINC000002929812 569426159 /nfs/dbraw/zinc/42/61/59/569426159.db2.gz KUCUNGMEXVYEBN-UHFFFAOYSA-N 0 0 438.455 3.824 50 0 IHAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000056907893 569427566 /nfs/dbraw/zinc/42/75/66/569427566.db2.gz YWKJCPHRYGULRL-UHFFFAOYSA-N 0 0 426.524 3.842 50 0 IHAARN COc1ccc(CNC(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC ZINC000056908024 569427642 /nfs/dbraw/zinc/42/76/42/569427642.db2.gz KNJUMADTJXZPPQ-UHFFFAOYSA-N 0 0 449.555 3.538 50 0 IHAARN Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)nnn1-c1nc2c(s1)CCCC2 ZINC000056933839 569427825 /nfs/dbraw/zinc/42/78/25/569427825.db2.gz QIXZRGIQUSWRTE-UHFFFAOYSA-N 0 0 442.976 3.527 50 0 IHAARN CCN1CCN(C(=O)N(Cc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000056964067 569428690 /nfs/dbraw/zinc/42/86/90/569428690.db2.gz NRKQIBNDYFQQQK-UHFFFAOYSA-N 0 0 429.586 3.560 50 0 IHAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000057050832 569429430 /nfs/dbraw/zinc/42/94/30/569429430.db2.gz QJMNIZBBXKQUGU-UHFFFAOYSA-N 0 0 444.894 3.508 50 0 IHAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000057122060 569429549 /nfs/dbraw/zinc/42/95/49/569429549.db2.gz FDSIIYLSNZHBJC-LZDDTZTRSA-N 0 0 441.915 3.628 50 0 IHAARN O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccccc1Cl ZINC000057135024 569429748 /nfs/dbraw/zinc/42/97/48/569429748.db2.gz SFOXWWFDSUYIOZ-UHFFFAOYSA-N 0 0 429.351 3.921 50 0 IHAARN CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 ZINC000057143018 569429767 /nfs/dbraw/zinc/42/97/67/569429767.db2.gz LQKGUSVLRJQKHZ-UHFFFAOYSA-N 0 0 437.492 3.958 50 0 IHAARN CCCOC(=O)c1ccc(Oc2coc3c(ccc4c3CN(CCOC)CO4)c2=O)cc1 ZINC000057160250 569429879 /nfs/dbraw/zinc/42/98/79/569429879.db2.gz QOGXCSFVGARRHR-UHFFFAOYSA-N 0 0 439.464 3.950 50 0 IHAARN CC(C)c1ccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)cc1 ZINC000029507842 569431294 /nfs/dbraw/zinc/43/12/94/569431294.db2.gz JFUVEQUOBHAYHB-UHFFFAOYSA-N 0 0 429.567 3.553 50 0 IHAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415469 569434025 /nfs/dbraw/zinc/43/40/25/569434025.db2.gz DYRKRALXMQZDAL-QHCPKHFHSA-N 0 0 437.540 3.779 50 0 IHAARN COc1ccccc1Cn1c(SCC(=O)NCCC(C)C)nc2ccsc2c1=O ZINC000057425598 569434397 /nfs/dbraw/zinc/43/43/97/569434397.db2.gz LVCUADTWXGASRE-UHFFFAOYSA-N 0 0 431.583 3.769 50 0 IHAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c1 ZINC000057426218 569434505 /nfs/dbraw/zinc/43/45/05/569434505.db2.gz IJLDGXAKJDLRJY-UHFFFAOYSA-N 0 0 433.555 3.862 50 0 IHAARN CCCCn1c(SCC(=O)NCc2cccc(OC)c2OC)nc2ccsc2c1=O ZINC000057426412 569434642 /nfs/dbraw/zinc/43/46/42/569434642.db2.gz UTSSWWMPURZYDO-UHFFFAOYSA-N 0 0 447.582 3.684 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccccc3F)c2=O)cc1C ZINC000057426796 569434678 /nfs/dbraw/zinc/43/46/78/569434678.db2.gz KWUCTISRJCXDHE-UHFFFAOYSA-N 0 0 437.496 3.668 50 0 IHAARN Cc1ccc(Cl)cc1-n1ncc2c1ncn(CC(=O)Nc1ccc(F)cc1Cl)c2=O ZINC000057428312 569434903 /nfs/dbraw/zinc/43/49/03/569434903.db2.gz BVEQEDNWZJRHAX-UHFFFAOYSA-N 0 0 446.269 3.975 50 0 IHAARN Cc1cc(F)ccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057429095 569435019 /nfs/dbraw/zinc/43/50/19/569435019.db2.gz PSWWZJWZNUNKAN-UHFFFAOYSA-N 0 0 445.422 3.578 50 0 IHAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccc(Cl)cc1Cl ZINC000003009293 569435294 /nfs/dbraw/zinc/43/52/94/569435294.db2.gz WKPLGHPTLQZDCJ-UHFFFAOYSA-N 0 0 440.283 3.999 50 0 IHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000057472839 569435641 /nfs/dbraw/zinc/43/56/41/569435641.db2.gz WXXFTZQDASRMJG-UHFFFAOYSA-N 0 0 433.895 3.812 50 0 IHAARN Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 ZINC000057473331 569435742 /nfs/dbraw/zinc/43/57/42/569435742.db2.gz GRVSNAMCJLOBAK-UHFFFAOYSA-N 0 0 437.496 3.554 50 0 IHAARN CCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2ccccc2c1=O ZINC000057476809 569435776 /nfs/dbraw/zinc/43/57/76/569435776.db2.gz LLLNCKMGNLZPCH-UHFFFAOYSA-N 0 0 425.510 3.714 50 0 IHAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3)n2)cc1OC ZINC000057487214 569436687 /nfs/dbraw/zinc/43/66/87/569436687.db2.gz RLWRYTJBHQTZQP-UHFFFAOYSA-N 0 0 436.443 3.678 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)cc1C ZINC000057491150 569437326 /nfs/dbraw/zinc/43/73/26/569437326.db2.gz SDJYSFMPVNXEMW-UHFFFAOYSA-N 0 0 441.459 3.748 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000057492310 569437425 /nfs/dbraw/zinc/43/74/25/569437425.db2.gz DEZOAYVCWGKVKZ-UHFFFAOYSA-N 0 0 433.533 3.802 50 0 IHAARN Cc1cccc(N(C)C(=O)Cn2c3ccsc3c(=O)n(-c3cc(C)ccc3C)c2=O)c1 ZINC000057492711 569437441 /nfs/dbraw/zinc/43/74/41/569437441.db2.gz FFYWYONUYIDVKK-UHFFFAOYSA-N 0 0 433.533 3.802 50 0 IHAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c(C)c1 ZINC000057492893 569437490 /nfs/dbraw/zinc/43/74/90/569437490.db2.gz FCSNOLOWMWLSJB-UHFFFAOYSA-N 0 0 437.565 3.837 50 0 IHAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000057493271 569437585 /nfs/dbraw/zinc/43/75/85/569437585.db2.gz RFIBUAWDGWKJIQ-UHFFFAOYSA-N 0 0 443.887 3.954 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)c(C)c2)c1=O ZINC000057494351 569437691 /nfs/dbraw/zinc/43/76/91/569437691.db2.gz VKYDENHBQMGNKP-UHFFFAOYSA-N 0 0 437.496 3.863 50 0 IHAARN COc1cccc(CNC(=O)CNC(=S)N(Cc2ccco2)Cc2ccc(C)cc2)c1 ZINC000003035528 569437957 /nfs/dbraw/zinc/43/79/57/569437957.db2.gz ZICIXTVGKCAMRN-UHFFFAOYSA-N 0 0 437.565 3.790 50 0 IHAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCc3ccccc3C2)n1 ZINC000057506404 569438241 /nfs/dbraw/zinc/43/82/41/569438241.db2.gz UWDVEUYBYJRWAH-UHFFFAOYSA-N 0 0 442.441 3.772 50 0 IHAARN COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000057511235 569438575 /nfs/dbraw/zinc/43/85/75/569438575.db2.gz ZDCWPAMETRPUHE-UHFFFAOYSA-N 0 0 430.464 3.829 50 0 IHAARN CCOc1ccc2sc(NC(=O)CSc3nc4cc(C)[nH]c4c(=O)n3CC)nc2c1 ZINC000057522100 569439027 /nfs/dbraw/zinc/43/90/27/569439027.db2.gz CDXKPUVHFKXUJS-UHFFFAOYSA-N 0 0 443.554 3.792 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057526694 569439112 /nfs/dbraw/zinc/43/91/12/569439112.db2.gz HCXAJQXAOIFWLI-UHFFFAOYSA-N 0 0 425.872 3.688 50 0 IHAARN CCN1CCC[C@H]1CNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000003061887 569439533 /nfs/dbraw/zinc/43/95/33/569439533.db2.gz AZEOVCGCXOXBNF-ZDUSSCGKSA-N 0 0 445.368 3.774 50 0 IHAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2Cl)C1 ZINC000030266019 569441345 /nfs/dbraw/zinc/44/13/45/569441345.db2.gz KSCNGRCDSWJTJF-HOTGVXAUSA-N 0 0 435.977 3.779 50 0 IHAARN COc1ccc(C)cc1C(=O)CCC(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000057816061 569441665 /nfs/dbraw/zinc/44/16/65/569441665.db2.gz FPGKDFINXDQUKP-UHFFFAOYSA-N 0 0 437.448 3.775 50 0 IHAARN COc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1OC ZINC000003226220 569442148 /nfs/dbraw/zinc/44/21/48/569442148.db2.gz YNXBHBFSAVFEHZ-UHFFFAOYSA-N 0 0 430.504 3.720 50 0 IHAARN COc1cc(CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000003251454 569442952 /nfs/dbraw/zinc/44/29/52/569442952.db2.gz SBXQEWNSKIPAAS-UHFFFAOYSA-N 0 0 441.402 3.846 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003252812 569442994 /nfs/dbraw/zinc/44/29/94/569442994.db2.gz WWHAHMZKMZBKQN-IBGZPJMESA-N 0 0 437.805 3.691 50 0 IHAARN O=C(NCCSCc1ccc(Br)s1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000030513034 569443049 /nfs/dbraw/zinc/44/30/49/569443049.db2.gz MHUVGXJEWWUQDV-CYBMUJFWSA-N 0 0 443.388 3.758 50 0 IHAARN COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000003256404 569443070 /nfs/dbraw/zinc/44/30/70/569443070.db2.gz JDELYQYXOXVPNT-UHFFFAOYSA-N 0 0 432.523 3.599 50 0 IHAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000003270510 569443563 /nfs/dbraw/zinc/44/35/63/569443563.db2.gz CFAWBPRSWMZCFO-UHFFFAOYSA-N 0 0 447.495 3.903 50 0 IHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc3ccccn31)CCCC2 ZINC000003281955 569443923 /nfs/dbraw/zinc/44/39/23/569443923.db2.gz UUGKRGGBCYJUCN-GFCCVEGCSA-N 0 0 430.555 3.966 50 0 IHAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(N2CCOCC2)cc1 ZINC000003286311 569444152 /nfs/dbraw/zinc/44/41/52/569444152.db2.gz NKNMQMBMXVSTLO-UHFFFAOYSA-N 0 0 445.545 3.988 50 0 IHAARN Cc1csc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003294180 569444526 /nfs/dbraw/zinc/44/45/26/569444526.db2.gz ARBSIHFLRVEFBX-GOSISDBHSA-N 0 0 447.969 3.859 50 0 IHAARN Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000003297298 569444823 /nfs/dbraw/zinc/44/48/23/569444823.db2.gz QKGJYTFRPUIKDA-UHFFFAOYSA-N 0 0 434.897 3.970 50 0 IHAARN O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Sc1ccccc1 ZINC000003306120 569445241 /nfs/dbraw/zinc/44/52/41/569445241.db2.gz GOWOTPMRQLLTMC-UHFFFAOYSA-N 0 0 445.504 3.673 50 0 IHAARN Cc1ccnc2nc(C(=O)OCC(=O)c3c4ccccc4n(C)c3-c3ccccc3)nn21 ZINC000003313306 569445577 /nfs/dbraw/zinc/44/55/77/569445577.db2.gz ZVXQGJSXBFJPAO-UHFFFAOYSA-N 0 0 425.448 3.631 50 0 IHAARN Cc1ccccc1-n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O ZINC000003321015 569445965 /nfs/dbraw/zinc/44/59/65/569445965.db2.gz DTSVLSSTTOSSST-UHFFFAOYSA-N 0 0 443.528 3.672 50 0 IHAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)NCC(F)(F)F ZINC000003322745 569446018 /nfs/dbraw/zinc/44/60/18/569446018.db2.gz OJLCWHSNXHSYRF-UHFFFAOYSA-N 0 0 440.516 3.944 50 0 IHAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 ZINC000003322362 569446041 /nfs/dbraw/zinc/44/60/41/569446041.db2.gz BOKTUQDNUHXLGI-OAHLLOKOSA-N 0 0 432.523 3.510 50 0 IHAARN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003324810 569446132 /nfs/dbraw/zinc/44/61/32/569446132.db2.gz RWMXMNFPOWNTKH-UHFFFAOYSA-N 0 0 437.517 3.654 50 0 IHAARN COc1ccc(C)cc1NC(=O)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000003334274 569446612 /nfs/dbraw/zinc/44/66/12/569446612.db2.gz CJBGKGCPBIUZNH-SFHVURJKSA-N 0 0 444.475 3.964 50 0 IHAARN C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccccc1 ZINC000003336981 569446686 /nfs/dbraw/zinc/44/66/86/569446686.db2.gz GNVYILPBSMMFLB-GOSISDBHSA-N 0 0 426.476 3.796 50 0 IHAARN Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc3c(c1)OCCO3)S2 ZINC000003337738 569446697 /nfs/dbraw/zinc/44/66/97/569446697.db2.gz PLWOBOHZWJEHQR-PKOBYXMFSA-N 0 0 428.901 3.653 50 0 IHAARN CC(=O)c1ccc(N([C@H](C)C(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003339111 569446764 /nfs/dbraw/zinc/44/67/64/569446764.db2.gz FNKWUMVYEUIBHG-GOSISDBHSA-N 0 0 428.554 3.794 50 0 IHAARN COc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1Br ZINC000003346283 569447101 /nfs/dbraw/zinc/44/71/01/569447101.db2.gz CVGCQBIDGXRUQG-UHFFFAOYSA-N 0 0 435.137 3.699 50 0 IHAARN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000003347877 569447186 /nfs/dbraw/zinc/44/71/86/569447186.db2.gz JCMRFAAUCHFSTC-AWEZNQCLSA-N 0 0 429.523 3.889 50 0 IHAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)c2ccc(F)c(F)c2)c1=O ZINC000003350084 569447307 /nfs/dbraw/zinc/44/73/07/569447307.db2.gz VLEMWCWIDQUVHS-UHFFFAOYSA-N 0 0 428.435 3.834 50 0 IHAARN CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000058105994 569447553 /nfs/dbraw/zinc/44/75/53/569447553.db2.gz QNTSYZZRVUHCEQ-INIZCTEOSA-N 0 0 427.339 3.878 50 0 IHAARN COCCn1cnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003355121 569447612 /nfs/dbraw/zinc/44/76/12/569447612.db2.gz AUUWGKLEIVZISY-UHFFFAOYSA-N 0 0 434.525 3.508 50 0 IHAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc12 ZINC000003358413 569447741 /nfs/dbraw/zinc/44/77/41/569447741.db2.gz ZABMCXFBJRHNAJ-UHFFFAOYSA-N 0 0 441.505 3.885 50 0 IHAARN CCOc1cc(C=Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc(Br)c1O ZINC000058129370 569448146 /nfs/dbraw/zinc/44/81/46/569448146.db2.gz SXERYEUAVLLQOP-QPJJXVBHSA-N 0 0 445.269 3.747 50 0 IHAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)n2N)cc1 ZINC000003366220 569448162 /nfs/dbraw/zinc/44/81/62/569448162.db2.gz RLAUUGNXJIYVJY-UHFFFAOYSA-N 0 0 442.854 3.765 50 0 IHAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2c3c(nc4ccccc42)CCC3)n1 ZINC000003368754 569448245 /nfs/dbraw/zinc/44/82/45/569448245.db2.gz SUZDMSPUHYBIAZ-UHFFFAOYSA-N 0 0 426.480 3.900 50 0 IHAARN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000003370294 569448297 /nfs/dbraw/zinc/44/82/97/569448297.db2.gz BFZGQKWDVSFDEN-HUUCEWRRSA-N 0 0 444.507 3.940 50 0 IHAARN COC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000058134149 569448389 /nfs/dbraw/zinc/44/83/89/569448389.db2.gz LIDGOOJWPPRQLH-SFHVURJKSA-N 0 0 435.307 3.952 50 0 IHAARN COC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000058134159 569448406 /nfs/dbraw/zinc/44/84/06/569448406.db2.gz LIDGOOJWPPRQLH-GOSISDBHSA-N 0 0 435.307 3.952 50 0 IHAARN CN(CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O ZINC000003382205 569448888 /nfs/dbraw/zinc/44/88/88/569448888.db2.gz IHVRABSMXRUNEH-IBGZPJMESA-N 0 0 431.895 3.571 50 0 IHAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1 ZINC000003383673 569448911 /nfs/dbraw/zinc/44/89/11/569448911.db2.gz QPGKRECVOLTPIV-LLVKDONJSA-N 0 0 441.958 3.725 50 0 IHAARN Fc1cccc(-c2noc([C@H]3CCCN(c4ccc5nnc(C(F)(F)F)n5n4)C3)n2)c1 ZINC000058159709 569449139 /nfs/dbraw/zinc/44/91/39/569449139.db2.gz MRGVDZKGFOEGIZ-LBPRGKRZSA-N 0 0 433.369 3.716 50 0 IHAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000003391993 569449328 /nfs/dbraw/zinc/44/93/28/569449328.db2.gz RPCXTBTYAZYHEC-XMMPIXPASA-N 0 0 434.561 3.993 50 0 IHAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3ccc(F)cc3s2)C(C)C)c1 ZINC000003393782 569449334 /nfs/dbraw/zinc/44/93/34/569449334.db2.gz VMMLVQSLARRBMU-SFHVURJKSA-N 0 0 431.489 3.846 50 0 IHAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003400245 569449625 /nfs/dbraw/zinc/44/96/25/569449625.db2.gz KMFITKPFWASKLS-UHFFFAOYSA-N 0 0 441.534 3.939 50 0 IHAARN COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(Cl)cc1 ZINC000003401927 569449817 /nfs/dbraw/zinc/44/98/17/569449817.db2.gz AVCGOTKBORTLKP-UHFFFAOYSA-N 0 0 444.944 3.547 50 0 IHAARN COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003402301 569449830 /nfs/dbraw/zinc/44/98/30/569449830.db2.gz FOUYTPONQWPSJP-UHFFFAOYSA-N 0 0 438.553 3.837 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccccc1Cl ZINC000003416622 569450269 /nfs/dbraw/zinc/45/02/69/569450269.db2.gz UHMFOSSVEIGVKC-UHFFFAOYSA-N 0 0 449.898 3.822 50 0 IHAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c(C)n1C1CC1 ZINC000003426088 569450535 /nfs/dbraw/zinc/45/05/35/569450535.db2.gz JUJHQNOUWXXTRY-UHFFFAOYSA-N 0 0 433.508 3.916 50 0 IHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc2ccccn21)c1ccccc1 ZINC000003430142 569450767 /nfs/dbraw/zinc/45/07/67/569450767.db2.gz WJCHCOIWRUHTPV-MRXNPFEDSA-N 0 0 431.521 3.951 50 0 IHAARN COc1cccc(-c2nnc(SCN3C(=O)c4ccccc4C3=O)n2Cc2ccco2)c1 ZINC000003439997 569451135 /nfs/dbraw/zinc/45/11/35/569451135.db2.gz ZWNXZWYYEUQLTB-UHFFFAOYSA-N 0 0 446.488 3.941 50 0 IHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000003442321 569451297 /nfs/dbraw/zinc/45/12/97/569451297.db2.gz MTXMITCVSHBMBX-UHFFFAOYSA-N 0 0 428.444 3.946 50 0 IHAARN O=C(CNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)N1CCc2ccccc21 ZINC000003445583 569451389 /nfs/dbraw/zinc/45/13/89/569451389.db2.gz VHMNEKNQWBEJHR-UHFFFAOYSA-N 0 0 429.476 3.711 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000003462320 569451932 /nfs/dbraw/zinc/45/19/32/569451932.db2.gz QNYMBIPXNSBZNA-UHFFFAOYSA-N 0 0 442.509 3.583 50 0 IHAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OC ZINC000003480483 569452329 /nfs/dbraw/zinc/45/23/29/569452329.db2.gz IUTNJTYXESUBQH-UHFFFAOYSA-N 0 0 438.549 3.836 50 0 IHAARN Cc1cc(C)cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1 ZINC000003494248 569452640 /nfs/dbraw/zinc/45/26/40/569452640.db2.gz PEYNUELBFVPDPU-UHFFFAOYSA-N 0 0 445.566 3.667 50 0 IHAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000003494281 569452650 /nfs/dbraw/zinc/45/26/50/569452650.db2.gz RHTHLHOUVJNUMC-UHFFFAOYSA-N 0 0 430.511 3.792 50 0 IHAARN CCOC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 ZINC000003502602 569452875 /nfs/dbraw/zinc/45/28/75/569452875.db2.gz LCMPAMGOIYXUDA-XDHOZWIPSA-N 0 0 426.494 3.744 50 0 IHAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O ZINC000003521729 569453220 /nfs/dbraw/zinc/45/32/20/569453220.db2.gz BKYFZDPBQOSUNU-LLVKDONJSA-N 0 0 440.916 3.745 50 0 IHAARN O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003556696 569453904 /nfs/dbraw/zinc/45/39/04/569453904.db2.gz LQIUBABYQHHYCF-UHFFFAOYSA-N 0 0 432.851 3.506 50 0 IHAARN O=C(OCc1nnc(-c2cccs2)o1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003555300 569453914 /nfs/dbraw/zinc/45/39/14/569453914.db2.gz UJGYFJMOWNEEQM-UHFFFAOYSA-N 0 0 435.417 3.544 50 0 IHAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000003565540 569454126 /nfs/dbraw/zinc/45/41/26/569454126.db2.gz KZKYWGSDOMESNT-UHFFFAOYSA-N 0 0 438.933 3.784 50 0 IHAARN Cc1cccn2c(=O)cc(CN(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc12 ZINC000031158397 569454155 /nfs/dbraw/zinc/45/41/55/569454155.db2.gz MODODKPURMWGKI-UHFFFAOYSA-N 0 0 438.837 3.746 50 0 IHAARN CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 ZINC000003609039 569454907 /nfs/dbraw/zinc/45/49/07/569454907.db2.gz QTWPKZSWTDCHPY-UHFFFAOYSA-N 0 0 434.568 3.728 50 0 IHAARN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)cc1OC ZINC000003629991 569455266 /nfs/dbraw/zinc/45/52/66/569455266.db2.gz PHADHJHVTZUZLO-UHFFFAOYSA-N 0 0 433.489 3.944 50 0 IHAARN Cc1cc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)n(-c2ccccc2)n1 ZINC000031741713 569457186 /nfs/dbraw/zinc/45/71/86/569457186.db2.gz ZHAOQCFUPDXCRY-OAHLLOKOSA-N 0 0 437.887 3.630 50 0 IHAARN CCC(N[C@H](C)CCC[NH+](CC)CC)=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000058886180 569457469 /nfs/dbraw/zinc/45/74/69/569457469.db2.gz PKLVJTXVSWQUDG-UOFXHNCJSA-N 0 0 442.604 3.959 50 0 IHAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@H]1c1cccnc1 ZINC000031939575 569458434 /nfs/dbraw/zinc/45/84/34/569458434.db2.gz SCVMUTSUPBXZEJ-NRFANRHFSA-N 0 0 425.485 3.999 50 0 IHAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCSCC3)nn1-c1ccccc1F)C2 ZINC000032070158 569459204 /nfs/dbraw/zinc/45/92/04/569459204.db2.gz FYOPPYVRHNTZSE-UHFFFAOYSA-N 0 0 439.512 3.789 50 0 IHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)cc1 ZINC000032102607 569460114 /nfs/dbraw/zinc/46/01/14/569460114.db2.gz TXSMBVILNXPFFV-SFHVURJKSA-N 0 0 434.452 3.907 50 0 IHAARN COC(=O)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000032104984 569460166 /nfs/dbraw/zinc/46/01/66/569460166.db2.gz GCWYZSBCJYROOV-HSZRJFAPSA-N 0 0 434.536 3.808 50 0 IHAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000059315010 569460853 /nfs/dbraw/zinc/46/08/53/569460853.db2.gz BWHUZRQILJVTSX-AWEZNQCLSA-N 0 0 430.501 3.559 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccc(F)cc2)cc1 ZINC000004209099 569460984 /nfs/dbraw/zinc/46/09/84/569460984.db2.gz IKZZMDAEPWGLJE-IBGZPJMESA-N 0 0 426.517 3.769 50 0 IHAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1 ZINC000032374105 569461456 /nfs/dbraw/zinc/46/14/56/569461456.db2.gz AAVQZEYUPGZWKN-CQSZACIVSA-N 0 0 429.767 3.967 50 0 IHAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 ZINC000038486340 569462738 /nfs/dbraw/zinc/46/27/38/569462738.db2.gz KRGKQHHONXPNKA-UHFFFAOYSA-N 0 0 446.536 3.788 50 0 IHAARN CCc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)cc1 ZINC000038487206 569462844 /nfs/dbraw/zinc/46/28/44/569462844.db2.gz DUTHZFKHCAOWCL-UHFFFAOYSA-N 0 0 440.507 3.629 50 0 IHAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000038487610 569462934 /nfs/dbraw/zinc/46/29/34/569462934.db2.gz OTNRNTYLVUOPKF-UHFFFAOYSA-N 0 0 444.926 3.945 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2Cl)o1 ZINC000038489249 569463097 /nfs/dbraw/zinc/46/30/97/569463097.db2.gz TYBVSDHPWSSVOI-UHFFFAOYSA-N 0 0 448.928 3.692 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)[nH]n2)c1 ZINC000038533609 569463203 /nfs/dbraw/zinc/46/32/03/569463203.db2.gz IUMPQTPQAUAHOW-UHFFFAOYSA-N 0 0 445.523 3.996 50 0 IHAARN CC(C)CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008396002 569463268 /nfs/dbraw/zinc/46/32/68/569463268.db2.gz OVMLFFWQRDETIX-UHFFFAOYSA-N 0 0 443.396 3.999 50 0 IHAARN COc1nn(C)cc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000038585905 569464188 /nfs/dbraw/zinc/46/41/88/569464188.db2.gz JYYGMJPAJAXFGD-UHFFFAOYSA-N 0 0 431.481 3.514 50 0 IHAARN c1ccc(Oc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000008442418 569464531 /nfs/dbraw/zinc/46/45/31/569464531.db2.gz CZMWKOJOPMSIKN-UHFFFAOYSA-N 0 0 445.527 3.547 50 0 IHAARN COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000067205505 569464620 /nfs/dbraw/zinc/46/46/20/569464620.db2.gz GCDXDHGMNWJTLX-UHFFFAOYSA-N 0 0 449.532 3.537 50 0 IHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000008454155 569465174 /nfs/dbraw/zinc/46/51/74/569465174.db2.gz ZOENROBWNOOKRU-OAHLLOKOSA-N 0 0 435.929 3.943 50 0 IHAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067239108 569465611 /nfs/dbraw/zinc/46/56/11/569465611.db2.gz CKZMFTVFIXZIOF-ZDUSSCGKSA-N 0 0 428.514 3.506 50 0 IHAARN Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)CCC5)nc23)c(C)c1 ZINC000067255725 569466028 /nfs/dbraw/zinc/46/60/28/569466028.db2.gz YLJYWMBYTIADFU-UHFFFAOYSA-N 0 0 445.548 3.786 50 0 IHAARN CCOc1ccccc1CNC(=O)c1nnn(-c2cccc(OC)c2)c1-c1ccncc1 ZINC000067261752 569466632 /nfs/dbraw/zinc/46/66/32/569466632.db2.gz SVWPGSLIWOEZCN-UHFFFAOYSA-N 0 0 429.480 3.667 50 0 IHAARN COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067298839 569468123 /nfs/dbraw/zinc/46/81/23/569468123.db2.gz XDHNZPMKDYQNGK-NOAXNCOGSA-N 0 0 428.872 3.942 50 0 IHAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO ZINC000067300542 569468206 /nfs/dbraw/zinc/46/82/06/569468206.db2.gz XBZBHCNVBZVCGE-UHFFFAOYSA-N 0 0 432.307 3.699 50 0 IHAARN CCN(CC)c1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c(C)c1 ZINC000067300433 569468212 /nfs/dbraw/zinc/46/82/12/569468212.db2.gz BMWLDUZQCUCFOU-UHFFFAOYSA-N 0 0 448.567 3.547 50 0 IHAARN Cc1ccccc1NC(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(C(F)(F)F)cc1 ZINC000067301253 569468255 /nfs/dbraw/zinc/46/82/55/569468255.db2.gz ACODAVKVPHRFSU-UHFFFAOYSA-N 0 0 445.441 3.719 50 0 IHAARN COc1cccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1OC ZINC000038736349 569468362 /nfs/dbraw/zinc/46/83/62/569468362.db2.gz ZSCAYMWMHLKGAW-UHFFFAOYSA-N 0 0 426.473 3.587 50 0 IHAARN Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1C ZINC000038736420 569468375 /nfs/dbraw/zinc/46/83/75/569468375.db2.gz AVBRTRVPKNQYHG-UHFFFAOYSA-N 0 0 437.500 3.511 50 0 IHAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1CCO ZINC000067316633 569468397 /nfs/dbraw/zinc/46/83/97/569468397.db2.gz RCZRSYKUGLWGTR-UHFFFAOYSA-N 0 0 449.404 3.550 50 0 IHAARN Cc1ccc([C@H](C)NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 ZINC000067319625 569468585 /nfs/dbraw/zinc/46/85/85/569468585.db2.gz MPQJMZRNNOTNLS-SFHVURJKSA-N 0 0 447.564 3.845 50 0 IHAARN COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000067322133 569468629 /nfs/dbraw/zinc/46/86/29/569468629.db2.gz JKURCLCIHOCQTR-UHFFFAOYSA-N 0 0 431.855 3.587 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 ZINC000067322144 569468690 /nfs/dbraw/zinc/46/86/90/569468690.db2.gz SARYMVIBKVZPAU-UHFFFAOYSA-N 0 0 443.891 3.538 50 0 IHAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1C ZINC000067322680 569468711 /nfs/dbraw/zinc/46/87/11/569468711.db2.gz LOHNBUCDXJWKHY-UHFFFAOYSA-N 0 0 425.514 3.598 50 0 IHAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 ZINC000067323399 569468784 /nfs/dbraw/zinc/46/87/84/569468784.db2.gz OSIVPCOPWQEGLD-UHFFFAOYSA-N 0 0 447.417 3.895 50 0 IHAARN CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1 ZINC000008628426 569469503 /nfs/dbraw/zinc/46/95/03/569469503.db2.gz BWGBIVCFLYGZQX-FCQUAONHSA-N 0 0 443.594 3.880 50 0 IHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 ZINC000008660844 569469739 /nfs/dbraw/zinc/46/97/39/569469739.db2.gz BOWAQYWLEYDANR-UHFFFAOYSA-N 0 0 436.603 3.668 50 0 IHAARN COc1ccc(C(C)=O)cc1CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 ZINC000008709335 569470787 /nfs/dbraw/zinc/47/07/87/569470787.db2.gz BLQSNYISOBMOQT-UHFFFAOYSA-N 0 0 438.553 3.916 50 0 IHAARN COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)Nc3ccccc3OC)cc2)c1 ZINC000008717309 569471106 /nfs/dbraw/zinc/47/11/06/569471106.db2.gz XIPUBHMJFAIUQC-UHFFFAOYSA-N 0 0 436.464 3.982 50 0 IHAARN CCCCn1c2nc(CSc3ncnc4sc(C)c(C)c43)n(CC)c2c(=O)[nH]c1=O ZINC000008725280 569472127 /nfs/dbraw/zinc/47/21/27/569472127.db2.gz XWSYTSTUVWIRSO-UHFFFAOYSA-N 0 0 444.586 3.620 50 0 IHAARN Cc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000008725576 569472147 /nfs/dbraw/zinc/47/21/47/569472147.db2.gz SXSLBZCUSJGEPU-FQEVSTJZSA-N 0 0 428.448 3.999 50 0 IHAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n2N)cc1 ZINC000008735298 569472656 /nfs/dbraw/zinc/47/26/56/569472656.db2.gz YCKGLNPMARSNSS-LLVKDONJSA-N 0 0 435.912 3.969 50 0 IHAARN COc1ccccc1NC(=O)Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21 ZINC000008752056 569473527 /nfs/dbraw/zinc/47/35/27/569473527.db2.gz OBURMPOKFSCBDA-YJYMSZOUSA-N 0 0 440.546 3.803 50 0 IHAARN CCc1cccc(CC)c1NC(=O)c1ccc(OC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008763860 569474510 /nfs/dbraw/zinc/47/45/10/569474510.db2.gz MCDJBKHDWNPHPW-MRXNPFEDSA-N 0 0 429.538 3.794 50 0 IHAARN Cc1cc(C(=O)Cn2nnc(-c3ccccc3Br)n2)c(C)n1-c1nccs1 ZINC000008768302 569474942 /nfs/dbraw/zinc/47/49/42/569474942.db2.gz AKYDBIIBQWPSHF-UHFFFAOYSA-N 0 0 443.330 3.850 50 0 IHAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)OCC(=O)c2ccc3c(c2)CCC3)c1=O ZINC000008780334 569475570 /nfs/dbraw/zinc/47/55/70/569475570.db2.gz BAMKAEOASYOLKP-UHFFFAOYSA-N 0 0 447.516 3.538 50 0 IHAARN Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)n2)c1 ZINC000008782572 569475819 /nfs/dbraw/zinc/47/58/19/569475819.db2.gz DRLGJQABDQMSIN-UHFFFAOYSA-N 0 0 443.813 3.867 50 0 IHAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C ZINC000008799554 569476480 /nfs/dbraw/zinc/47/64/80/569476480.db2.gz OFWLVVJEQURNRI-UHFFFAOYSA-N 0 0 442.471 3.895 50 0 IHAARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(CCc3ccc(C)cc3)C2)cc1OCC ZINC000008812716 569476600 /nfs/dbraw/zinc/47/66/00/569476600.db2.gz XUYNQAUVKZJZJK-QFIPXVFZSA-N 0 0 438.568 3.542 50 0 IHAARN COc1cc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(OC)c1OC ZINC000008824432 569477185 /nfs/dbraw/zinc/47/71/85/569477185.db2.gz DWHREFUOELYTAV-UHFFFAOYSA-N 0 0 441.509 3.976 50 0 IHAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008824804 569477223 /nfs/dbraw/zinc/47/72/23/569477223.db2.gz VVSHDHYGONDAOJ-NSHDSACASA-N 0 0 444.793 3.539 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CC(=O)O[C@@H](Cn3c4ccccc4c4ccccc43)C2)cc1 ZINC000008844669 569478627 /nfs/dbraw/zinc/47/86/27/569478627.db2.gz ZXYJHKWJTUNXSW-GOSISDBHSA-N 0 0 434.517 3.719 50 0 IHAARN O=C(CSc1nc(CC(=O)NCCc2ccccc2)cs1)Nc1ccc(F)cc1 ZINC000008851919 569479405 /nfs/dbraw/zinc/47/94/05/569479405.db2.gz PXVDDGVEGSHJCV-UHFFFAOYSA-N 0 0 429.542 3.914 50 0 IHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000008855985 569479739 /nfs/dbraw/zinc/47/97/39/569479739.db2.gz SSZDZISJNQCJMK-LLVKDONJSA-N 0 0 447.340 3.658 50 0 IHAARN Cc1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nn1-c1ccc(F)cc1 ZINC000008862160 569480089 /nfs/dbraw/zinc/48/00/89/569480089.db2.gz NPCJFMJQZCOERG-UHFFFAOYSA-N 0 0 431.475 3.952 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000008865147 569480184 /nfs/dbraw/zinc/48/01/84/569480184.db2.gz VFCFQDXTUFKZPA-UHFFFAOYSA-N 0 0 448.500 3.519 50 0 IHAARN CC(=O)Nc1nonc1N1C(=N)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000008867267 569480253 /nfs/dbraw/zinc/48/02/53/569480253.db2.gz YOSUNDFRZHWKBK-JDSIUFIHSA-N 0 0 429.845 3.997 50 0 IHAARN O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1cccs1 ZINC000008865835 569480269 /nfs/dbraw/zinc/48/02/69/569480269.db2.gz SSSCSOGOTIMMIM-UHFFFAOYSA-N 0 0 428.510 3.991 50 0 IHAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008879440 569481358 /nfs/dbraw/zinc/48/13/58/569481358.db2.gz VZEUMUAKTPQWSC-UHFFFAOYSA-N 0 0 444.944 3.622 50 0 IHAARN CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@@H]3C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000039414732 569481612 /nfs/dbraw/zinc/48/16/12/569481612.db2.gz YKXHUDXDHCUGIF-STZDCXSUSA-N 0 0 428.481 3.582 50 0 biogenic IHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000039588673 569481847 /nfs/dbraw/zinc/48/18/47/569481847.db2.gz RFNSETMBARZFQD-RUDMXATFSA-N 0 0 439.386 3.926 50 0 IHAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882751 569483013 /nfs/dbraw/zinc/48/30/13/569483013.db2.gz FBRONKRUOVPVOZ-UHFFFAOYSA-N 0 0 436.533 3.767 50 0 IHAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000040033475 569483084 /nfs/dbraw/zinc/48/30/84/569483084.db2.gz GZLCKVWMZZKPRA-UHFFFAOYSA-N 0 0 443.551 3.685 50 0 IHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(Cl)s3)C2)s1 ZINC000040047640 569483740 /nfs/dbraw/zinc/48/37/40/569483740.db2.gz KYKOMXCTEPZRCJ-CYBMUJFWSA-N 0 0 433.020 3.831 50 0 IHAARN O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008895560 569483789 /nfs/dbraw/zinc/48/37/89/569483789.db2.gz AATYVJNCGZTESZ-HNNXBMFYSA-N 0 0 437.543 3.803 50 0 IHAARN CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCCO2 ZINC000040049410 569483897 /nfs/dbraw/zinc/48/38/97/569483897.db2.gz FIYXAAPCHFJYJD-JOCHJYFZSA-N 0 0 432.467 3.760 50 0 IHAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccncc1)C(=O)N1CCc2ccccc21 ZINC000008901431 569484273 /nfs/dbraw/zinc/48/42/73/569484273.db2.gz IOJUEUMNDPPMJX-KRWDZBQOSA-N 0 0 442.544 3.910 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000008909556 569484748 /nfs/dbraw/zinc/48/47/48/569484748.db2.gz BADVFVMZHFWSPQ-UHFFFAOYSA-N 0 0 438.896 3.507 50 0 IHAARN O=C(NCc1ccccc1Br)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000008911604 569484928 /nfs/dbraw/zinc/48/49/28/569484928.db2.gz QALRDWMNCAJCTL-HNNXBMFYSA-N 0 0 446.374 3.624 50 0 IHAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C)CC2)c1 ZINC000040073266 569486093 /nfs/dbraw/zinc/48/60/93/569486093.db2.gz VDNRNRJOIWZRFM-UHFFFAOYSA-N 0 0 440.594 3.555 50 0 IHAARN CC[C@H](C)NC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918115 569486237 /nfs/dbraw/zinc/48/62/37/569486237.db2.gz KRWAWXQYQCTCSQ-MQNRADLISA-N 0 0 430.508 3.936 50 0 biogenic IHAARN CCCCNC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000008918430 569486301 /nfs/dbraw/zinc/48/63/01/569486301.db2.gz GWYKMIUTYFGXLW-VWLOTQADSA-N 0 0 430.508 3.938 50 0 biogenic IHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)o2)cc1 ZINC000008920222 569486505 /nfs/dbraw/zinc/48/65/05/569486505.db2.gz UIGAPDHEMHSFLF-UHFFFAOYSA-N 0 0 448.504 3.738 50 0 IHAARN CCOc1cc(CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F ZINC000040086159 569486669 /nfs/dbraw/zinc/48/66/69/569486669.db2.gz DUOQCBAZSDBBMI-CQSZACIVSA-N 0 0 427.492 3.666 50 0 IHAARN CSc1ncc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1-c1ccccc1 ZINC000040089580 569487155 /nfs/dbraw/zinc/48/71/55/569487155.db2.gz CSAUXBANQNWHTB-KRWDZBQOSA-N 0 0 426.586 3.705 50 0 IHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000040096792 569487573 /nfs/dbraw/zinc/48/75/73/569487573.db2.gz XJIQJBSUTHDKST-UHFFFAOYSA-N 0 0 426.542 3.789 50 0 IHAARN O=C(NCCc1ccc(-n2cccn2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103413 569488065 /nfs/dbraw/zinc/48/80/65/569488065.db2.gz URMFNNRVRIYYPV-UHFFFAOYSA-N 0 0 425.920 3.727 50 0 IHAARN Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)c1 ZINC000008937346 569488071 /nfs/dbraw/zinc/48/80/71/569488071.db2.gz SJVXJJCLEVUBEH-JOCHJYFZSA-N 0 0 431.439 3.619 50 0 IHAARN CC[C@@H](c1nnc(SCc2cc(=O)n3ccc(C)cc3n2)n1Cc1ccccc1)N(C)C ZINC000008941589 569488611 /nfs/dbraw/zinc/48/86/11/569488611.db2.gz AWIPDFMBYMLZJF-FQEVSTJZSA-N 0 0 448.596 3.948 50 0 IHAARN CCN(c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1)S(C)(=O)=O ZINC000008943733 569488836 /nfs/dbraw/zinc/48/88/36/569488836.db2.gz IBLWEHJUOPWTDD-UHFFFAOYSA-N 0 0 431.587 3.505 50 0 IHAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000040121962 569489600 /nfs/dbraw/zinc/48/96/00/569489600.db2.gz VEZHSGJCLYUKGU-MAUKXSAKSA-N 0 0 427.932 3.538 50 0 IHAARN O=C(CCc1ccc(F)c(F)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040122056 569489663 /nfs/dbraw/zinc/48/96/63/569489663.db2.gz INRYPCRGWXMELU-UHFFFAOYSA-N 0 0 426.385 3.901 50 0 IHAARN CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1F ZINC000040123073 569489687 /nfs/dbraw/zinc/48/96/87/569489687.db2.gz VPXYPKJSSCYAIQ-UHFFFAOYSA-N 0 0 426.517 3.583 50 0 IHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)cc(Br)c1 ZINC000040128320 569489779 /nfs/dbraw/zinc/48/97/79/569489779.db2.gz CXYSEKIKDRVZLC-UHFFFAOYSA-N 0 0 427.295 3.625 50 0 IHAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000069055329 569489965 /nfs/dbraw/zinc/48/99/65/569489965.db2.gz XIWGDCTZSSOIRY-IGMNZBQBSA-N 0 0 426.542 3.586 50 0 IHAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccccc1OCCC(N)=O ZINC000040139034 569490761 /nfs/dbraw/zinc/49/07/61/569490761.db2.gz BGJDXYUBSUWLGX-UHFFFAOYSA-N 0 0 433.468 3.779 50 0 IHAARN CCc1nn(CCCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2cc3occc3n21 ZINC000008965039 569491326 /nfs/dbraw/zinc/49/13/26/569491326.db2.gz KLISKOXINWLFIM-UHFFFAOYSA-N 0 0 428.876 3.886 50 0 IHAARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc(-c3ccccc3)nn1-c1ccccc1)C2=O ZINC000008965881 569491538 /nfs/dbraw/zinc/49/15/38/569491538.db2.gz XWPVCMMDZIFNPJ-UHFFFAOYSA-N 0 0 443.507 3.685 50 0 IHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000040140640 569491615 /nfs/dbraw/zinc/49/16/15/569491615.db2.gz LEXXHUNFADKYQO-UHFFFAOYSA-N 0 0 426.423 3.859 50 0 IHAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000008966022 569491672 /nfs/dbraw/zinc/49/16/72/569491672.db2.gz YFPVCAXMOSIUHS-QGZVFWFLSA-N 0 0 448.504 3.576 50 0 IHAARN O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008966214 569491724 /nfs/dbraw/zinc/49/17/24/569491724.db2.gz BXLYMHSUYNGCCS-MRXNPFEDSA-N 0 0 436.522 3.787 50 0 IHAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n1 ZINC000040141716 569491782 /nfs/dbraw/zinc/49/17/82/569491782.db2.gz SXHGIPNKHWHPLT-LLVKDONJSA-N 0 0 427.320 3.726 50 0 IHAARN COc1ccc(Oc2ccc(CNC(=O)c3nc(N4CCCC4)ncc3Cl)cn2)cc1 ZINC000040142410 569491833 /nfs/dbraw/zinc/49/18/33/569491833.db2.gz XBJIULZMLOINJL-UHFFFAOYSA-N 0 0 439.903 3.856 50 0 IHAARN C[C@@H](SCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000040144438 569492032 /nfs/dbraw/zinc/49/20/32/569492032.db2.gz FXEOHLJWELKSKF-MRXNPFEDSA-N 0 0 426.538 3.914 50 0 IHAARN CCOC(=O)N1CCC(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000040144699 569492043 /nfs/dbraw/zinc/49/20/43/569492043.db2.gz DEUWJCWCCQUFSI-UHFFFAOYSA-N 0 0 429.565 3.969 50 0 IHAARN O=C(Nc1nccs1)[C@H]1CCCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000040149249 569492441 /nfs/dbraw/zinc/49/24/41/569492441.db2.gz GTUSXVTVQSINFT-HNNXBMFYSA-N 0 0 441.586 3.576 50 0 IHAARN O=C(Nc1nccs1)[C@@H]1CCCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 ZINC000040149250 569492498 /nfs/dbraw/zinc/49/24/98/569492498.db2.gz GTUSXVTVQSINFT-OAHLLOKOSA-N 0 0 441.586 3.576 50 0 IHAARN O=C(Nc1cnccn1)C1CCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 ZINC000040155516 569493925 /nfs/dbraw/zinc/49/39/25/569493925.db2.gz IRXMTGDKODUQLX-UHFFFAOYSA-N 0 0 430.921 3.624 50 0 IHAARN CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000040156197 569494104 /nfs/dbraw/zinc/49/41/04/569494104.db2.gz QRIZLGAXQYWRKH-KSSFIOAISA-N 0 0 439.375 3.525 50 0 IHAARN NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000040158068 569494455 /nfs/dbraw/zinc/49/44/55/569494455.db2.gz PNZOQEWOMMOVGS-UHFFFAOYSA-N 0 0 427.504 3.755 50 0 IHAARN COC(=O)CN(Cc1ccccc1Cl)Cn1ncn(-c2ccccc2OC)c1=S ZINC000040158190 569494499 /nfs/dbraw/zinc/49/44/99/569494499.db2.gz CLVMNSRGKNMYEO-UHFFFAOYSA-N 0 0 432.933 3.698 50 0 IHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000009012646 569496571 /nfs/dbraw/zinc/49/65/71/569496571.db2.gz CPGPITOWQUKMRU-HXUWFJFHSA-N 0 0 441.553 3.761 50 0 IHAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000009019669 569496874 /nfs/dbraw/zinc/49/68/74/569496874.db2.gz MRIXZMITUCEVGP-DNVJHFABSA-N 0 0 430.460 3.755 50 0 IHAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000040266573 569497288 /nfs/dbraw/zinc/49/72/88/569497288.db2.gz NQLBAMGZOMNTJY-JOCHJYFZSA-N 0 0 427.888 3.676 50 0 IHAARN O=S(=O)(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Br)cc1 ZINC000009043427 569497838 /nfs/dbraw/zinc/49/78/38/569497838.db2.gz ASPQSALQXVJNJF-UHFFFAOYSA-N 0 0 428.695 3.631 50 0 IHAARN O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)N1CCN(c2ccccn2)CC1 ZINC000040283776 569497849 /nfs/dbraw/zinc/49/78/49/569497849.db2.gz OMDAIUROTLVIAL-UHFFFAOYSA-N 0 0 426.520 3.964 50 0 IHAARN Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1CCc1ccc(F)cc1 ZINC000009048653 569498549 /nfs/dbraw/zinc/49/85/49/569498549.db2.gz ZRFBVLKAPJMJSL-UHFFFAOYSA-N 0 0 442.531 3.909 50 0 IHAARN COC(=O)C1CCN(C(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)CC1 ZINC000009049881 569498591 /nfs/dbraw/zinc/49/85/91/569498591.db2.gz DRPMGAQWFPHFHR-UHFFFAOYSA-N 0 0 425.481 3.727 50 0 IHAARN CC(=O)Nc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)cc1 ZINC000040312733 569498944 /nfs/dbraw/zinc/49/89/44/569498944.db2.gz FCLVXHGZDMZYAF-RUZDIDTESA-N 0 0 448.523 3.609 50 0 biogenic IHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000009056722 569499072 /nfs/dbraw/zinc/49/90/72/569499072.db2.gz OFMJVIFFTWYLAM-AREMUKBSSA-N 0 0 439.471 3.515 50 0 IHAARN O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC(c1ccccc1)c1ccccc1 ZINC000009065883 569499663 /nfs/dbraw/zinc/49/96/63/569499663.db2.gz XYWOMBVFAQRVDI-SFHVURJKSA-N 0 0 443.503 3.857 50 0 IHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)NN(Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000245229288 569499911 /nfs/dbraw/zinc/49/99/11/569499911.db2.gz SOIABYWLHAPPRM-TZRRMPRUSA-N 0 0 427.504 3.705 50 0 IHAARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3N(C(C)=O)[C@@H](C)C2=S)S1 ZINC000009086578 569500675 /nfs/dbraw/zinc/50/06/75/569500675.db2.gz GJZPPRSSIHFLDU-JTQLQIEISA-N 0 0 449.575 3.826 50 0 IHAARN COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009094879 569501305 /nfs/dbraw/zinc/50/13/05/569501305.db2.gz YBSFIENUJYEZES-FQEVSTJZSA-N 0 0 444.940 3.877 50 0 IHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000009097181 569501552 /nfs/dbraw/zinc/50/15/52/569501552.db2.gz IDHICFIQNVLSLS-HNNXBMFYSA-N 0 0 432.505 3.955 50 0 IHAARN CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000245265730 569501827 /nfs/dbraw/zinc/50/18/27/569501827.db2.gz HLGFEKDHPNYQTH-TWHPPBISSA-N 0 0 435.517 3.591 50 0 IHAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccc(OC)cc3)o2)cc1 ZINC000009115745 569502829 /nfs/dbraw/zinc/50/28/29/569502829.db2.gz SXPCPRFLALJLEA-SSEXGKCCSA-N 0 0 427.522 3.967 50 0 IHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1Cl ZINC000009116512 569502926 /nfs/dbraw/zinc/50/29/26/569502926.db2.gz PYEXKTFPBLOIEK-UHFFFAOYSA-N 0 0 449.850 3.843 50 0 IHAARN O=c1c2oc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000009116570 569503005 /nfs/dbraw/zinc/50/30/05/569503005.db2.gz LNCZXTICMITZSZ-UHFFFAOYSA-N 0 0 444.418 3.874 50 0 IHAARN Cc1sc2nc(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C ZINC000009119614 569503552 /nfs/dbraw/zinc/50/35/52/569503552.db2.gz DOAKAYHUKYMERC-HOCLYGCPSA-N 0 0 435.615 3.966 50 0 IHAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1C ZINC000009125026 569504528 /nfs/dbraw/zinc/50/45/28/569504528.db2.gz ZPVDOYCABPACGO-AREMUKBSSA-N 0 0 433.552 3.938 50 0 IHAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009125436 569504617 /nfs/dbraw/zinc/50/46/17/569504617.db2.gz KCRDYUOLHMZWRS-UHFFFAOYSA-N 0 0 443.547 3.567 50 0 IHAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000009127642 569505200 /nfs/dbraw/zinc/50/52/00/569505200.db2.gz LVCYDCCWEDJHRG-UHFFFAOYSA-N 0 0 432.948 3.853 50 0 IHAARN O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)s1 ZINC000009128662 569505426 /nfs/dbraw/zinc/50/54/26/569505426.db2.gz RRIDXRXZUNFBFX-HXUWFJFHSA-N 0 0 449.370 3.761 50 0 IHAARN O=C(COC(=O)c1nn(-c2ccccc2)cc1O)NC(c1ccccc1)c1ccccc1 ZINC000009128463 569505447 /nfs/dbraw/zinc/50/54/47/569505447.db2.gz RRKXCCNSLWDPER-UHFFFAOYSA-N 0 0 427.460 3.641 50 0 IHAARN COc1ccc(-c2n[nH]c3c2CN(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC3)cc1 ZINC000009130667 569506132 /nfs/dbraw/zinc/50/61/32/569506132.db2.gz HDNLDWCRCOFWPV-BJMVGYQFSA-N 0 0 449.507 3.709 50 0 IHAARN CC(=O)N1c2cc(S(=O)(=O)Nc3cc(F)ccc3F)c(Br)cc2C[C@H]1C ZINC000040450558 569506311 /nfs/dbraw/zinc/50/63/11/569506311.db2.gz AFISXOYUVXUDJK-SECBINFHSA-N 0 0 445.285 3.826 50 0 IHAARN CN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450404 569506334 /nfs/dbraw/zinc/50/63/34/569506334.db2.gz WVNXSKWHIPJHHZ-UHFFFAOYSA-N 0 0 449.370 3.569 50 0 IHAARN CCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040450596 569506359 /nfs/dbraw/zinc/50/63/59/569506359.db2.gz FWEICYOALCFXQL-ZDUSSCGKSA-N 0 0 437.359 3.962 50 0 IHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000040478447 569506759 /nfs/dbraw/zinc/50/67/59/569506759.db2.gz CWYLRIKDTFWVOU-UHFFFAOYSA-N 0 0 427.504 3.721 50 0 IHAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000040484568 569506802 /nfs/dbraw/zinc/50/68/02/569506802.db2.gz XOHGJXNTLDSCDA-NRFANRHFSA-N 0 0 435.484 3.622 50 0 IHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1OC ZINC000040485024 569506811 /nfs/dbraw/zinc/50/68/11/569506811.db2.gz ODGTXBGTMYEAGL-SFHVURJKSA-N 0 0 425.876 3.876 50 0 IHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1OC ZINC000040485027 569506854 /nfs/dbraw/zinc/50/68/54/569506854.db2.gz ODGTXBGTMYEAGL-GOSISDBHSA-N 0 0 425.876 3.876 50 0 IHAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009132158 569506917 /nfs/dbraw/zinc/50/69/17/569506917.db2.gz KIBLNFSJPVDNHH-MRXNPFEDSA-N 0 0 435.505 3.779 50 0 IHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000009135323 569507076 /nfs/dbraw/zinc/50/70/76/569507076.db2.gz URMFRKAVPUWQRF-UHFFFAOYSA-N 0 0 447.834 3.933 50 0 IHAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1)OCC(=O)N2 ZINC000009151792 569507629 /nfs/dbraw/zinc/50/76/29/569507629.db2.gz CFWAGWFNCZARGN-HNNXBMFYSA-N 0 0 430.526 3.640 50 0 IHAARN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)C(=O)Nc1ccc(F)cc1 ZINC000009152088 569507766 /nfs/dbraw/zinc/50/77/66/569507766.db2.gz XEAGQJMZMMLERL-MRXNPFEDSA-N 0 0 446.529 3.540 50 0 IHAARN COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1ccccc1F)n2C ZINC000009153799 569508175 /nfs/dbraw/zinc/50/81/75/569508175.db2.gz PLXHBGJCWKBONN-UHFFFAOYSA-N 0 0 443.478 3.899 50 0 IHAARN Cn1c2nc3n(cc(-c4ccc5ccccc5c4)n3CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000009160788 569508637 /nfs/dbraw/zinc/50/86/37/569508637.db2.gz CYMPMXGVNGZQAD-UHFFFAOYSA-N 0 0 449.514 3.749 50 0 IHAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2OCC(C)(C)C1=O ZINC000009167426 569509032 /nfs/dbraw/zinc/50/90/32/569509032.db2.gz QFVHIPJWMZYIAT-UHFFFAOYSA-N 0 0 448.541 3.666 50 0 IHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000009172591 569509534 /nfs/dbraw/zinc/50/95/34/569509534.db2.gz VFCIJRXVSYNZJV-CQSZACIVSA-N 0 0 446.345 3.858 50 0 IHAARN Cc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000009187661 569510404 /nfs/dbraw/zinc/51/04/04/569510404.db2.gz BJDYCGFQEAKTFP-UHFFFAOYSA-N 0 0 445.519 3.782 50 0 IHAARN CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(SC)ns3)sc2c1 ZINC000009191422 569510614 /nfs/dbraw/zinc/51/06/14/569510614.db2.gz DQOVLTWMAYFYAJ-UHFFFAOYSA-N 0 0 426.570 3.777 50 0 IHAARN CCc1ccc(OCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)c(Br)c1 ZINC000009194194 569510910 /nfs/dbraw/zinc/51/09/10/569510910.db2.gz JBNLCSKATHEWOG-UHFFFAOYSA-N 0 0 446.301 3.765 50 0 IHAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccccc1 ZINC000009195199 569510988 /nfs/dbraw/zinc/51/09/88/569510988.db2.gz DWIMMGBGEPAKCI-UHFFFAOYSA-N 0 0 425.901 3.843 50 0 IHAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009203963 569511319 /nfs/dbraw/zinc/51/13/19/569511319.db2.gz HCDOWXVISWQENC-QFIPXVFZSA-N 0 0 448.610 3.607 50 0 IHAARN COc1ccc(OCc2nnc(S[C@@H]3C[C@@H](C)OC3=O)n2-c2ccccc2F)cc1 ZINC000009205388 569511372 /nfs/dbraw/zinc/51/13/72/569511372.db2.gz WMUGSACXVCHCSY-FZKQIMNGSA-N 0 0 429.473 3.790 50 0 IHAARN Cc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2N2CCCC2)cc1 ZINC000009208242 569511469 /nfs/dbraw/zinc/51/14/69/569511469.db2.gz HJOZHUDKBCBLNO-UHFFFAOYSA-N 0 0 446.580 3.905 50 0 IHAARN CCc1cccc(C)c1NC(=O)Cn1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N ZINC000009211583 569511824 /nfs/dbraw/zinc/51/18/24/569511824.db2.gz DYFOPPVDRWWUFO-UHFFFAOYSA-N 0 0 437.891 3.740 50 0 IHAARN Cc1c(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000069667426 569512283 /nfs/dbraw/zinc/51/22/83/569512283.db2.gz JTGOIVZDIVTFLF-ZDUSSCGKSA-N 0 0 434.418 3.822 50 0 IHAARN CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000009221151 569512588 /nfs/dbraw/zinc/51/25/88/569512588.db2.gz WDCLGLYUQWTYBO-FQEVSTJZSA-N 0 0 443.450 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CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(N)s1)C[C@@H](C)CC2 ZINC000009597098 569550880 /nfs/dbraw/zinc/55/08/80/569550880.db2.gz HVBAHOGBCKKYIM-IUCAKERBSA-N 0 0 426.589 3.603 50 0 IHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 ZINC000009600869 569551528 /nfs/dbraw/zinc/55/15/28/569551528.db2.gz FFMZBAWWXIOEOH-UHFFFAOYSA-N 0 0 438.549 3.905 50 0 IHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1ccncc1 ZINC000009602033 569551686 /nfs/dbraw/zinc/55/16/86/569551686.db2.gz IDUBBGLJOGONCG-NRFANRHFSA-N 0 0 439.479 3.671 50 0 IHAARN COc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3c(c2=O)SCC3)c1 ZINC000009602949 569551721 /nfs/dbraw/zinc/55/17/21/569551721.db2.gz DXGXRCXCTJHSSW-UHFFFAOYSA-N 0 0 439.562 3.929 50 0 IHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000009602503 569551744 /nfs/dbraw/zinc/55/17/44/569551744.db2.gz ZUMXEDNOIQXZHY-GJZUVCINSA-N 0 0 427.504 3.801 50 0 IHAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000009603206 569551779 /nfs/dbraw/zinc/55/17/79/569551779.db2.gz WPFQFPCVVKIAQP-UHFFFAOYSA-N 0 0 443.434 3.985 50 0 IHAARN COc1ccc(Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1Br ZINC000009608657 569552210 /nfs/dbraw/zinc/55/22/10/569552210.db2.gz UUUMMRIIKBRHSA-UHFFFAOYSA-N 0 0 430.306 3.549 50 0 IHAARN COC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C)C(C)C ZINC000009609454 569552327 /nfs/dbraw/zinc/55/23/27/569552327.db2.gz QFBMXUYHHPSRSF-QFIPXVFZSA-N 0 0 440.519 3.707 50 0 IHAARN COc1ccccc1NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000009610915 569552713 /nfs/dbraw/zinc/55/27/13/569552713.db2.gz JUSZLQDMAMDTBJ-GOSISDBHSA-N 0 0 447.582 3.945 50 0 IHAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000009619302 569553433 /nfs/dbraw/zinc/55/34/33/569553433.db2.gz CMGIXGCUDSOGSA-UHFFFAOYSA-N 0 0 429.904 3.813 50 0 IHAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)nn1 ZINC000009626859 569553544 /nfs/dbraw/zinc/55/35/44/569553544.db2.gz CNDLPLBVQUKAKM-UHFFFAOYSA-N 0 0 425.510 3.517 50 0 IHAARN COc1ccc(C(=O)Nc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)cc1 ZINC000009628058 569553595 /nfs/dbraw/zinc/55/35/95/569553595.db2.gz NNOWCBLEIFGDFT-UHFFFAOYSA-N 0 0 429.929 3.959 50 0 IHAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009631919 569553861 /nfs/dbraw/zinc/55/38/61/569553861.db2.gz NYPTVYSLBRQWAB-UHFFFAOYSA-N 0 0 442.566 3.556 50 0 IHAARN CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000009633163 569554174 /nfs/dbraw/zinc/55/41/74/569554174.db2.gz VYTDLJRQSLYKHR-FQEVSTJZSA-N 0 0 436.961 3.739 50 0 IHAARN CCn1c2ccccc2c(C(=O)COC(=O)CCC(=O)N2CCOCC2)c1-c1ccccc1 ZINC000009633174 569554182 /nfs/dbraw/zinc/55/41/82/569554182.db2.gz QUIAGGQXWDZAMM-UHFFFAOYSA-N 0 0 448.519 3.693 50 0 IHAARN COc1ccc(CN(Cc2cccs2)C(=O)c2ccccc2-n2cnnn2)cc1OC ZINC000009633755 569554352 /nfs/dbraw/zinc/55/43/52/569554352.db2.gz BZBVZZKLTXVVGM-UHFFFAOYSA-N 0 0 435.509 3.584 50 0 IHAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000009634480 569554442 /nfs/dbraw/zinc/55/44/42/569554442.db2.gz XEZQOWPPRGULDB-UTKZUKDTSA-N 0 0 440.565 3.792 50 0 IHAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009635203 569554588 /nfs/dbraw/zinc/55/45/88/569554588.db2.gz QTVNURYZBFZAHL-NXTQRVMMSA-N 0 0 445.581 3.802 50 0 IHAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCCC3=CCCCC3)c2)on1 ZINC000009637503 569554803 /nfs/dbraw/zinc/55/48/03/569554803.db2.gz LJZDOIOHUFQPRA-UHFFFAOYSA-N 0 0 434.514 3.696 50 0 IHAARN COc1cc(CN(C)C(=O)c2ccccc2-n2cnnn2)ccc1OCc1ccccc1 ZINC000009638939 569555112 /nfs/dbraw/zinc/55/51/12/569555112.db2.gz PKYCENMPIWPFQO-UHFFFAOYSA-N 0 0 429.480 3.522 50 0 IHAARN COc1ccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)c(OC)c1 ZINC000009639709 569555179 /nfs/dbraw/zinc/55/51/79/569555179.db2.gz HBBINVPHNKZLLP-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN CCCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 ZINC000009639454 569555186 /nfs/dbraw/zinc/55/51/86/569555186.db2.gz PDVCZGHXWFIJLF-UHFFFAOYSA-N 0 0 429.542 3.573 50 0 IHAARN O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)s1 ZINC000009640711 569555463 /nfs/dbraw/zinc/55/54/63/569555463.db2.gz QHDHRNQBFDXZKX-UHFFFAOYSA-N 0 0 448.928 3.970 50 0 IHAARN O=C(CSc1nnnn1Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009640867 569555503 /nfs/dbraw/zinc/55/55/03/569555503.db2.gz IBFDFANTNROLTQ-UHFFFAOYSA-N 0 0 444.520 3.705 50 0 IHAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000009640956 569555569 /nfs/dbraw/zinc/55/55/69/569555569.db2.gz GZTDHTZWMFQYSL-VWLOTQADSA-N 0 0 427.460 3.522 50 0 IHAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(-c2nnco2)cc1 ZINC000009647650 569556426 /nfs/dbraw/zinc/55/64/26/569556426.db2.gz HRVHPLADNPNEHO-UHFFFAOYSA-N 0 0 425.470 3.666 50 0 IHAARN Cc1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(Cl)cc3)c2=O)c1C ZINC000009660666 569556861 /nfs/dbraw/zinc/55/68/61/569556861.db2.gz USLKEFIPJRYTOF-UHFFFAOYSA-N 0 0 448.910 3.515 50 0 IHAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661199 569557057 /nfs/dbraw/zinc/55/70/57/569557057.db2.gz IDZHQYWSUZWLSS-UHFFFAOYSA-N 0 0 431.406 3.840 50 0 IHAARN O=C(Nc1ccc(F)cc1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009663635 569557275 /nfs/dbraw/zinc/55/72/75/569557275.db2.gz GKGUWSYQVDUPBR-LJQANCHMSA-N 0 0 432.455 3.709 50 0 IHAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000009663894 569557307 /nfs/dbraw/zinc/55/73/07/569557307.db2.gz LGWCTCBBDHIJSV-UHFFFAOYSA-N 0 0 446.912 3.539 50 0 IHAARN O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009663957 569557312 /nfs/dbraw/zinc/55/73/12/569557312.db2.gz DBKKUCUXFHFHSB-ZDUSSCGKSA-N 0 0 425.532 3.679 50 0 IHAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000009664404 569557426 /nfs/dbraw/zinc/55/74/26/569557426.db2.gz GVHZDSHDWRCEKJ-UHFFFAOYSA-N 0 0 434.496 3.924 50 0 IHAARN Cc1cc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)n2C)no1 ZINC000009666493 569557732 /nfs/dbraw/zinc/55/77/32/569557732.db2.gz ICEUZDHRNLRYAD-UHFFFAOYSA-N 0 0 432.556 3.744 50 0 IHAARN C[C@@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(-c4cccs4)n3)c2C(N)=O)C1 ZINC000009669639 569558116 /nfs/dbraw/zinc/55/81/16/569558116.db2.gz MHIXOGYBLVBKIQ-SECBINFHSA-N 0 0 433.584 3.549 50 0 IHAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)cs3)ccc21 ZINC000009670199 569558258 /nfs/dbraw/zinc/55/82/58/569558258.db2.gz MZMKLYCFPMOQGR-UHFFFAOYSA-N 0 0 426.527 3.525 50 0 IHAARN COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2ccco2)cc1 ZINC000009673769 569558971 /nfs/dbraw/zinc/55/89/71/569558971.db2.gz PEELCYXAXVUDJM-FQEVSTJZSA-N 0 0 439.493 3.651 50 0 IHAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)cc2C[C@@H]1C ZINC000009676948 569559473 /nfs/dbraw/zinc/55/94/73/569559473.db2.gz TUOQMSXRHHHCIJ-HNNXBMFYSA-N 0 0 448.972 3.508 50 0 IHAARN Cc1ccc(-n2nc(C(=O)NCCCOC(C)C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682091 569560309 /nfs/dbraw/zinc/56/03/09/569560309.db2.gz FOGAULVEHJYCFM-UHFFFAOYSA-N 0 0 432.524 3.731 50 0 IHAARN COc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000009689331 569560885 /nfs/dbraw/zinc/56/08/85/569560885.db2.gz LSUGUGBBVJJMHR-UHFFFAOYSA-N 0 0 438.480 3.734 50 0 IHAARN COc1cc(-c2cc(C(=O)N[C@@H]3CCSC3=O)c3ccccc3n2)cc(OC)c1OC ZINC000009703463 569561314 /nfs/dbraw/zinc/56/13/14/569561314.db2.gz SHBQADUQPGWUJB-QGZVFWFLSA-N 0 0 438.505 3.690 50 0 IHAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000009703823 569561404 /nfs/dbraw/zinc/56/14/04/569561404.db2.gz WFABTSRMLMPHFG-AREMUKBSSA-N 0 0 427.504 3.793 50 0 IHAARN CCOc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000009704212 569561444 /nfs/dbraw/zinc/56/14/44/569561444.db2.gz POAIBLRPTVXWOF-UHFFFAOYSA-N 0 0 439.472 3.790 50 0 IHAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(I)cc1 ZINC000009709604 569561984 /nfs/dbraw/zinc/56/19/84/569561984.db2.gz ZBINEUVTNFJJCV-UHFFFAOYSA-N 0 0 431.237 3.532 50 0 IHAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009711763 569562083 /nfs/dbraw/zinc/56/20/83/569562083.db2.gz SMBHCARSVKWSSQ-MRXNPFEDSA-N 0 0 438.509 3.553 50 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ZINC000009970901 569576196 /nfs/dbraw/zinc/57/61/96/569576196.db2.gz VMNAQQDHMGDOPN-AWEZNQCLSA-N 0 0 443.525 3.788 50 0 IHAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)cc1 ZINC000009971127 569576280 /nfs/dbraw/zinc/57/62/80/569576280.db2.gz OLPVTCVPOXLNPA-UHFFFAOYSA-N 0 0 437.506 3.924 50 0 IHAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1 ZINC000009985840 569576723 /nfs/dbraw/zinc/57/67/23/569576723.db2.gz NXELOCLYTNFQNJ-UHFFFAOYSA-N 0 0 432.542 3.666 50 0 IHAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)NCCc2cccc(OC)c2)c1 ZINC000010062683 569577586 /nfs/dbraw/zinc/57/75/86/569577586.db2.gz HZIXOEUZLPJFNV-UHFFFAOYSA-N 0 0 430.508 3.530 50 0 IHAARN Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc(Br)o3)s2)cs1 ZINC000010105396 569577889 /nfs/dbraw/zinc/57/78/89/569577889.db2.gz BKABNMJBHGOYJW-UHFFFAOYSA-N 0 0 440.344 3.582 50 0 IHAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000010145577 569578110 /nfs/dbraw/zinc/57/81/10/569578110.db2.gz HQYALWNKSWGOJH-FUHWJXTLSA-N 0 0 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569580247 /nfs/dbraw/zinc/58/02/47/569580247.db2.gz ZWZGUWVIOOPTKB-UHFFFAOYSA-N 0 0 431.901 3.634 50 0 IHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010292882 569580508 /nfs/dbraw/zinc/58/05/08/569580508.db2.gz TUUOARPHCFZPMZ-CQSZACIVSA-N 0 0 447.329 3.799 50 0 IHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000071768295 569580621 /nfs/dbraw/zinc/58/06/21/569580621.db2.gz PRPBCQBLKJPJPA-INIZCTEOSA-N 0 0 428.496 3.946 50 0 IHAARN Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 ZINC000071768648 569580792 /nfs/dbraw/zinc/58/07/92/569580792.db2.gz KPJVLYOIQVYQSM-UHFFFAOYSA-N 0 0 434.475 3.992 50 0 IHAARN CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000010337329 569581269 /nfs/dbraw/zinc/58/12/69/569581269.db2.gz LJZPWANOJCEPKH-UHFFFAOYSA-N 0 0 437.612 3.750 50 0 IHAARN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1OCC(N)=O ZINC000010372564 569581566 /nfs/dbraw/zinc/58/15/66/569581566.db2.gz LYOHOIDCKHTEAZ-HNNXBMFYSA-N 0 0 445.928 3.800 50 0 IHAARN COc1ccc(OC)c2c1CN(Cc1c(C)nn(Cc3ccccc3)c1Cl)C[C@@H]2O ZINC000071810946 569581858 /nfs/dbraw/zinc/58/18/58/569581858.db2.gz CRNBHZLJNOOTFO-IBGZPJMESA-N 0 0 427.932 3.960 50 0 IHAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446442 569582240 /nfs/dbraw/zinc/58/22/40/569582240.db2.gz GPKQNANLOFRIIM-UHFFFAOYSA-N 0 0 434.323 3.601 50 0 IHAARN O=C(Cc1nc2ncccn2n1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 ZINC000065626902 569583551 /nfs/dbraw/zinc/58/35/51/569583551.db2.gz VHAJAIMTLRJLFZ-UHFFFAOYSA-N 0 0 445.914 3.941 50 0 IHAARN COc1ccc(CC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1OC ZINC000077099575 569585255 /nfs/dbraw/zinc/58/52/55/569585255.db2.gz OWIHFSQDFMZLHH-UHFFFAOYSA-N 0 0 447.413 3.941 50 0 IHAARN Cc1ccc(N2C[C@@H](C(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)CC2=O)cc1C ZINC000077101171 569585570 /nfs/dbraw/zinc/58/55/70/569585570.db2.gz HULCAWNGEBDZLT-INIZCTEOSA-N 0 0 446.473 3.701 50 0 IHAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000077102255 569585607 /nfs/dbraw/zinc/58/56/07/569585607.db2.gz NSMBELFUOOHMJI-XMMPIXPASA-N 0 0 438.549 3.806 50 0 IHAARN Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)CSc2ccc(F)cc2)CC3)no1 ZINC000077196466 569586094 /nfs/dbraw/zinc/58/60/94/569586094.db2.gz BYJDCYLKLWNVBK-UHFFFAOYSA-N 0 0 432.502 3.508 50 0 IHAARN O=C(Cn1cc(-c2nc(-c3cccs3)no2)ccc1=O)NCCc1ccc(Cl)cc1 ZINC000077199961 569586344 /nfs/dbraw/zinc/58/63/44/569586344.db2.gz DOGOWQJMPIDETI-UHFFFAOYSA-N 0 0 440.912 3.639 50 0 IHAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077200208 569586363 /nfs/dbraw/zinc/58/63/63/569586363.db2.gz ADMDZWIYLYWXLJ-OALUTQOASA-N 0 0 430.526 3.527 50 0 IHAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)n(C)n2)c1 ZINC000077200676 569586509 /nfs/dbraw/zinc/58/65/09/569586509.db2.gz FEAHCOSUDBUVKZ-OAQYLSRUSA-N 0 0 442.947 3.790 50 0 IHAARN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCCCCC1 ZINC000078239546 569586631 /nfs/dbraw/zinc/58/66/31/569586631.db2.gz IYQFMTWNLGFDGY-UHFFFAOYSA-N 0 0 432.508 3.899 50 0 IHAARN Cn1nc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2NC3=NC2CCCC2)c2ccccc21 ZINC000106763140 569587033 /nfs/dbraw/zinc/58/70/33/569587033.db2.gz YKDBAEYASQXAQN-VWLOTQADSA-N 0 0 443.555 3.631 50 0 IHAARN CCNC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)C[C@H]1C ZINC000034707759 569587559 /nfs/dbraw/zinc/58/75/59/569587559.db2.gz QDDBGOVLKGQFMU-OAHLLOKOSA-N 0 0 449.946 3.838 50 0 IHAARN COc1ccc(OC)c(-c2csc(C3=C(N)N(CCCc4ccccc4)CC3=O)n2)c1 ZINC000034769661 569587659 /nfs/dbraw/zinc/58/76/59/569587659.db2.gz PQTJJRAFGNAWKA-UHFFFAOYSA-N 0 0 435.549 3.972 50 0 IHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116666 569587819 /nfs/dbraw/zinc/58/78/19/569587819.db2.gz GZSHZEBMEYBNDR-JOCHJYFZSA-N 0 0 444.597 3.871 50 0 IHAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)NCC ZINC000036123000 569587890 /nfs/dbraw/zinc/58/78/90/569587890.db2.gz UXOAYCMRZBTOJP-GOSISDBHSA-N 0 0 433.549 3.834 50 0 IHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3cccc(C)c3)N(C(=O)NC(C)C)C2)C1 ZINC000037546200 569588076 /nfs/dbraw/zinc/58/80/76/569588076.db2.gz MIPKSQWDCVTZDS-YPAWHYETSA-N 0 0 443.588 3.668 50 0 IHAARN CCOC(=O)CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355502 569588096 /nfs/dbraw/zinc/58/80/96/569588096.db2.gz TUDNPLLFDVWCSQ-UHFFFAOYSA-N 0 0 430.313 3.775 50 0 IHAARN CCCCC(=O)NC1(C(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCCC1 ZINC000067665085 574415412 /nfs/dbraw/zinc/41/54/12/574415412.db2.gz PAKGYCNZUGIDHV-UHFFFAOYSA-N 0 0 446.555 3.769 50 0 endogenous,world IHAARN